*HEADER    TRANSCRIPTION                           16-JUN-17   5O9B              
*TITLE     SOLUTION NMR STRUCTURE OF HUMAN GATA2 C-TERMINAL ZINC FINGER DOMAIN   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ENDOTHELIAL TRANSCRIPTION FACTOR GATA-2;                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: GATA-BINDING PROTEIN 2;                                     
*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: GATA2;                                                         
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    GATA, TRANSCRIPTION FACTOR, HAEMATOPOEISIS, TRANSCRIPTION             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.S.NURMOHAMED,R.W.BROADHURST,G.MAY,T.ENVER                           
*REVDAT   1   06-FEB-19 5O9B    0                                                
# Restraints file 1: nnoesy_CF_160301.tbl.2
assign ( resid 25 and name H) ( resid 24 and name H) 2.7 0.5 0.5 volume=320311598.500 peak=361 ppm1=8.060 ppm2=8.198 
assign ( resid 17 and name H) ( resid 29 and name HB2) 4.5 0.9 0.9 volume=13142123.156 peak=40 ppm1=7.023 ppm2=2.780 
assign ( resid 17 and name H) ( resid 15 and name H) 4.4 0.9 0.9 volume=15420238.406 peak=35 ppm1=7.025 ppm2=7.946 
assign ( resid 23 and name H) ( resid 21 and name HB2) 3.9 0.8 0.8 volume=29837996.125 peak=165 ppm1=7.574 ppm2=3.333 
assign ( resid 45 and name H) ( resid 44 and name HA) 2.8 0.6 0.6 volume=224373527.500 peak=409 ppm1=7.961 ppm2=4.357 
assign ( resid 41 and name HD22) ( resid 41 and name HA) 4.2 0.8 0.8 volume=20249916.625 peak=315 ppm1=7.743 ppm2=5.032 
assign ( resid 36 and name H) ( resid 35 and name H) 2.8 0.6 0.6 volume=221869459.000 peak=236 ppm1=8.011 ppm2=8.169 
assign ( resid 4 and name H) ( resid 3 and name HA) 3.1 0.6 0.6 volume=123420086.500 peak=137 ppm1=8.436 ppm2=4.309 
assign ( resid 18 and name HE1) ( resid 18 and name HZ2) 2.8 0.6 0.6 volume=244993677.000 peak=13 ppm1=10.075 ppm2=7.096 
assign ( resid 21 and name HD21) ( resid 21 and name HA) 4.0 0.8 0.8 volume=28570352.312 peak=288 ppm1=7.786 ppm2=4.749 
assign ( resid 13 and name H) ( resid 12 and name H) 3.6 0.7 0.7 volume=49640356.500 peak=112 ppm1=8.313 ppm2=8.599 
assign ( resid 29 and name HD21) ( resid 33 and name HA) 4.1 0.8 0.8 volume=23942234.062 peak=305 ppm1=6.994 ppm2=4.116 
assign ( resid 38 and name H) ( resid 37 and name HA) 3.5 0.7 0.7 volume=65829693.625 peak=131 ppm1=8.197 ppm2=4.044 
assign ( resid 25 and name H) ( resid 8 and name HB#) 4.2 0.8 0.8 volume=19539445.625 peak=370 ppm1=8.058 ppm2=1.393 
assign ( resid 45 and name H) ( resid 45 and name HB) 3.3 0.7 0.7 volume=88490047.250 peak=410 ppm1=7.964 ppm2=4.217 
assign ( resid 42 and name H) ( resid 41 and name HA) 3.1 0.6 0.6 volume=132127348.750 peak=47 ppm1=9.262 ppm2=5.021 
assign ( resid 13 and name H) ( resid 18 and name HZ2) 4.3 0.9 0.9 volume=17292867.219 peak=120 ppm1=8.316 ppm2=7.113 
assign ( resid 21 and name H) ( resid 20 and name HA) 2.6 0.5 0.5 volume=369769664.000 peak=79 ppm1=8.856 ppm2=5.331 
assign ( resid 31 and name H) ( resid 33 and name H) 4.1 0.8 0.8 volume=21908478.188 peak=46 ppm1=9.411 ppm2=8.921 
assign ( resid 41 and name H) ( resid 40 and name HA) 2.5 0.5 0.5 volume=462624440.000 peak=207 ppm1=8.492 ppm2=4.437 
assign ( resid 22 and name H) ( resid 21 and name HB3) 4.3 0.9 0.9 volume=18653107.031 peak=421 ppm1=8.343 ppm2=2.756 
assign ( resid 8 and name H) ( resid 27 and name HG2#) 3.5 0.7 0.7 volume=60710021.500 peak=27 ppm1=9.496 ppm2=1.174 
assign ( resid 9 and name H) ( resid 11 and name H) 3.5 0.7 0.7 volume=56722811.000 peak=187 ppm1=9.111 ppm2=8.052 
assign ( resid 27 and name H) ( resid 27 and name HG2#) 4.2 0.8 0.8 volume=21446908.250 peak=376 ppm1=8.532 ppm2=1.117 
assign ( resid 10 and name H) ( resid 9 and name HB2) 3.0 0.6 0.6 volume=152784186.000 peak=98 ppm1=8.802 ppm2=3.492 
assign ( resid 21 and name HD22) ( resid 21 and name HB2) 3.6 0.7 0.7 volume=50729278.000 peak=289 ppm1=7.899 ppm2=3.322 
assign ( resid 21 and name HD22) ( resid 25 and name HB2) 3.3 0.7 0.7 volume=82478030.250 peak=293 ppm1=7.899 ppm2=2.415 
assign ( resid 6 and name H) ( resid 7 and name H) 4.2 0.8 0.8 volume=20550949.750 peak=256 ppm1=7.911 ppm2=8.938 
assign ( resid 32 and name H) ( resid 33 and name HB3) 4.5 0.9 0.9 volume=13877444.875 peak=34 ppm1=9.464 ppm2=1.813 
assign ( resid 40 and name H) ( resid 34 and name HE#) 4.4 0.9 0.9 volume=14766215.281 peak=155 ppm1=7.060 ppm2=6.603 
assign ( resid 39 and name H) ( resid 39 and name HB3) 3.5 0.7 0.7 volume=58144266.750 peak=400 ppm1=8.917 ppm2=3.034 
assign ( resid 32 and name H) ( resid 32 and name HA2) 2.9 0.6 0.6 volume=171668768.500 peak=29 ppm1=9.462 ppm2=3.585 
assign ( resid 28 and name H) ( resid 7 and name HA) 3.6 0.7 0.7 volume=49874868.750 peak=8 ppm1=9.858 ppm2=4.374 
assign ( resid 35 and name H) ( resid 32 and name HA2) 4.1 0.8 0.8 volume=22026576.062 peak=381 ppm1=8.159 ppm2=3.581 
assign ( resid 25 and name H) ( resid 21 and name HD21) 3.7 0.7 0.7 volume=40469122.875 peak=283 ppm1=8.058 ppm2=7.794 
assign ( resid 39 and name HD21) ( resid 39 and name HD22) 1.9 0.2 0.4 volume=2457878720.000 peak=323 ppm1=7.427 ppm2=6.799 
assign ( resid 9 and name HD22) ( resid 9 and name HA) 4.2 0.8 0.8 volume=21276882.625 peak=88 ppm1=8.923 ppm2=5.010 
assign ( resid 39 and name HD22) ( resid 39 and name HB2) 3.9 0.8 0.8 volume=33103874.188 peak=321 ppm1=6.801 ppm2=2.642 
assign ( resid 33 and name H) ( resid 33 and name HA) 2.9 0.6 0.6 volume=175237219.000 peak=70 ppm1=8.911 ppm2=4.117 
assign ( resid 9 and name H) ( resid 9 and name HB3) 3.1 0.6 0.6 volume=135374078.500 peak=427 ppm1=9.110 ppm2=2.694 
assign ( resid 9 and name H) ( resid 27 and name HA) 4.1 0.8 0.8 volume=24336405.844 peak=422 ppm1=9.109 ppm2=5.764 
assign ( resid 35 and name H) ( resid 37 and name H) 4.2 0.8 0.8 volume=21621216.938 peak=226 ppm1=8.157 ppm2=7.584 
assign ( resid 34 and name H) ( resid 35 and name H) 2.9 0.6 0.6 volume=173004807.000 peak=243 ppm1=7.931 ppm2=8.160 
assign ( resid 21 and name H) ( resid 21 and name HB2) 3.5 0.7 0.7 volume=59316989.375 peak=76 ppm1=8.856 ppm2=3.319 
assign ( resid 6 and name H) ( resid 5 and name HB) 3.6 0.7 0.7 volume=50222955.125 peak=259 ppm1=7.915 ppm2=3.322 
assign ( resid 24 and name H) ( resid 20 and name HG2) 3.8 0.8 0.8 volume=35106193.625 peak=149 ppm1=8.186 ppm2=1.497 
assign ( resid 12 and name H) ( resid 7 and name HB2) 3.2 0.6 0.6 volume=100026268.750 peak=107 ppm1=8.596 ppm2=3.489 
assign ( resid 41 and name H) ( resid 41 and name HD22) 3.4 0.7 0.7 volume=75364312.250 peak=202 ppm1=8.491 ppm2=7.744 
assign ( resid 38 and name H) ( resid 34 and name HA) 4.0 0.8 0.8 volume=27855818.281 peak=389 ppm1=8.198 ppm2=4.122 
assign ( resid 33 and name H) ( resid 32 and name HA2) 3.4 0.7 0.7 volume=74350724.500 peak=71 ppm1=8.920 ppm2=3.568 
assign ( resid 30 and name H) ( resid 31 and name H) 2.9 0.6 0.6 volume=169846414.000 peak=219 ppm1=8.290 ppm2=9.414 
assign ( resid 11 and name H) ( resid 7 and name HB2) 3.2 0.6 0.6 volume=101873365.500 peak=182 ppm1=8.051 ppm2=3.491 
assign ( resid 40 and name H) ( resid 40 and name HG1#) 3.4 0.7 0.7 volume=77054259.250 peak=405 ppm1=7.063 ppm2=0.920 
assign ( resid 18 and name HE1) ( resid 5 and name HB) 3.8 0.8 0.8 volume=37489772.125 peak=15 ppm1=10.075 ppm2=3.306 
assign ( resid 10 and name H) ( resid 10 and name HA) 3.3 0.7 0.7 volume=85238454.750 peak=100 ppm1=8.801 ppm2=4.971 
assign ( resid 44 and name H) ( resid 43 and name HB3) 3.4 0.7 0.7 volume=74561445.250 peak=272 ppm1=8.509 ppm2=2.227 
assign ( resid 37 and name H) ( resid 37 and name HA) 2.8 0.6 0.6 volume=251752947.500 peak=177 ppm1=7.581 ppm2=4.039 
assign ( resid 39 and name H) ( resid 39 and name HA) 2.7 0.5 0.5 volume=305624444.000 peak=399 ppm1=8.917 ppm2=3.466 
assign ( resid 38 and name H) ( resid 38 and name HD2) 3.5 0.7 0.7 volume=58746379.000 peak=132 ppm1=8.198 ppm2=5.501 
assign ( resid 7 and name H) ( resid 13 and name HG2#) 3.6 0.7 0.7 volume=51497097.125 peak=67 ppm1=8.941 ppm2=1.274 
assign ( resid 9 and name HD21) ( resid 42 and name HB3) 3.5 0.7 0.7 volume=60237654.125 peak=94 ppm1=7.789 ppm2=1.677 
assign ( resid 3 and name H) ( resid 2 and name HB2) 4.0 0.8 0.8 volume=27567274.875 peak=265 ppm1=8.486 ppm2=1.749 
assign ( resid 42 and name H) ( resid 41 and name HB2) 3.6 0.7 0.7 volume=54040940.625 peak=48 ppm1=9.261 ppm2=2.688 
assign ( resid 39 and name HD21) ( resid 39 and name HB2) 3.4 0.7 0.7 volume=68704703.125 peak=320 ppm1=7.426 ppm2=2.651 
assign ( resid 38 and name H) ( resid 38 and name HB2) 3.5 0.7 0.7 volume=58056234.875 peak=390 ppm1=8.198 ppm2=3.002 
assign ( resid 39 and name H) ( resid 38 and name H) 2.7 0.5 0.5 volume=294381294.000 peak=136 ppm1=8.917 ppm2=8.197 
assign ( resid 33 and name H) ( resid 33 and name HD2#) 3.6 0.7 0.7 volume=51016133.375 peak=73 ppm1=8.909 ppm2=0.814 
assign ( resid 41 and name H) ( resid 41 and name HB2) 2.6 0.5 0.5 volume=322455606.000 peak=208 ppm1=8.492 ppm2=2.684 
assign ( resid 9 and name H) ( resid 9 and name HB2) 3.0 0.6 0.6 volume=154182819.250 peak=426 ppm1=9.111 ppm2=3.500 
assign ( resid 24 and name H) ( resid 24 and name HA2) 2.8 0.6 0.6 volume=244544439.000 peak=145 ppm1=8.189 ppm2=3.549 
assign ( resid 35 and name H) ( resid 42 and name HB3) 4.5 0.9 0.9 volume=12835071.906 peak=433 ppm1=8.151 ppm2=1.639 
assign ( resid 7 and name H) ( resid 18 and name HH2) 3.7 0.7 0.7 volume=40893946.500 peak=61 ppm1=8.940 ppm2=6.353 
assign ( resid 27 and name H) ( resid 27 and name HG1#) 3.3 0.7 0.7 volume=82188980.250 peak=377 ppm1=8.527 ppm2=0.661 
assign ( resid 17 and name H) ( resid 17 and name HB2) 3.8 0.8 0.8 volume=34143289.000 peak=41 ppm1=7.029 ppm2=1.466 
assign ( resid 8 and name H) ( resid 8 and name HA) 3.3 0.7 0.7 volume=88472931.250 peak=21 ppm1=9.497 ppm2=4.210 
assign ( resid 21 and name HD21) ( resid 25 and name HB2) 3.6 0.7 0.7 volume=53049154.125 peak=294 ppm1=7.787 ppm2=2.409 
assign ( resid 27 and name H) ( resid 21 and name H) 4.2 0.8 0.8 volume=19112770.656 peak=117 ppm1=8.527 ppm2=8.861 
assign ( resid 11 and name HE21) ( resid 11 and name HG3) 3.4 0.7 0.7 volume=68958323.875 peak=316 ppm1=7.568 ppm2=2.309 
assign ( resid 24 and name H) ( resid 21 and name H) 3.8 0.8 0.8 volume=39647039.625 peak=139 ppm1=8.187 ppm2=8.854 
assign ( resid 13 and name H) ( resid 13 and name HG2#) 3.4 0.7 0.7 volume=67637172.750 peak=338 ppm1=8.319 ppm2=1.387 
assign ( resid 40 and name H) ( resid 39 and name HB2) 3.7 0.7 0.7 volume=46837846.750 peak=156 ppm1=7.063 ppm2=2.612 
assign ( resid 15 and name H) ( resid 15 and name HG2#) 3.3 0.7 0.7 volume=85233549.500 peak=197 ppm1=7.983 ppm2=9.721 
assign ( resid 29 and name HD22) ( resid 29 and name HB3) 3.4 0.7 0.7 volume=75745256.750 peak=306 ppm1=7.658 ppm2=3.260 
assign ( resid 29 and name HD22) ( resid 30 and name HA) 3.9 0.8 0.8 volume=31887801.000 peak=304 ppm1=7.658 ppm2=4.130 
assign ( resid 25 and name H) ( resid 26 and name HD3) 3.8 0.8 0.8 volume=35156160.500 peak=365 ppm1=8.059 ppm2=3.793 
assign ( resid 29 and name HD22) ( resid 29 and name HB2) 3.1 0.6 0.6 volume=118876463.000 peak=308 ppm1=7.659 ppm2=2.783 
assign ( resid 5 and name H) ( resid 3 and name HB#) 4.5 0.9 0.9 volume=13624594.062 peak=196 ppm1=7.874 ppm2=1.350 
assign ( resid 9 and name HD21) ( resid 9 and name HA) 4.2 0.8 0.8 volume=19220574.469 peak=89 ppm1=7.788 ppm2=5.017 
assign ( resid 35 and name H) ( resid 36 and name HB3) 4.2 0.8 0.8 volume=19754034.562 peak=383 ppm1=8.161 ppm2=2.024 
assign ( resid 25 and name H) ( resid 21 and name H) 3.2 0.6 0.6 volume=112585596.000 peak=360 ppm1=8.060 ppm2=8.857 
assign ( resid 9 and name H) ( resid 7 and name HA) 3.6 0.7 0.7 volume=47076900.750 peak=424 ppm1=9.110 ppm2=4.380 
assign ( resid 35 and name H) ( resid 34 and name HD#) 3.4 0.7 0.7 volume=68212311.625 peak=227 ppm1=8.158 ppm2=7.337 
assign ( resid 27 and name H) ( resid 26 and name HB2) 3.7 0.7 0.7 volume=42967213.375 peak=430 ppm1=8.531 ppm2=1.547 
assign ( resid 21 and name H) ( resid 20 and name HD2) 4.0 0.8 0.8 volume=28222869.375 peak=77 ppm1=8.853 ppm2=3.060 
assign ( resid 6 and name H) ( resid 6 and name HB3) 3.4 0.7 0.7 volume=76344843.750 peak=260 ppm1=7.914 ppm2=2.563 
assign ( resid 39 and name H) ( resid 36 and name HA) 4.3 0.9 0.9 volume=16628679.281 peak=396 ppm1=8.919 ppm2=4.022 
assign ( resid 10 and name H) ( resid 7 and name HA) 3.5 0.7 0.7 volume=65663332.625 peak=99 ppm1=8.804 ppm2=4.391 
assign ( resid 27 and name H) ( resid 19 and name H) 4.0 0.8 0.8 volume=26509057.062 peak=116 ppm1=8.528 ppm2=9.241 
assign ( resid 30 and name H) ( resid 30 and name HA) 2.8 0.6 0.6 volume=209196427.000 peak=220 ppm1=8.290 ppm2=4.168 
assign ( resid 6 and name H) ( resid 6 and name HA) 3.2 0.6 0.6 volume=96001488.250 peak=257 ppm1=7.914 ppm2=5.116 
assign ( resid 20 and name H) ( resid 21 and name H) 3.7 0.7 0.7 volume=25795814.875 peak=352 ppm1=8.462 ppm2=8.866 
assign ( resid 45 and name H) ( resid 43 and name HB2) 3.5 0.7 0.7 volume=58794032.500 peak=411 ppm1=7.961 ppm2=1.646 
assign ( resid 38 and name H) ( resid 40 and name H) 3.7 0.7 0.7 volume=36987523.312 peak=152 ppm1=8.197 ppm2=7.063 
assign ( resid 37 and name H) ( resid 36 and name HB3) 3.0 0.6 0.6 volume=145710627.000 peak=178 ppm1=7.581 ppm2=2.023 
assign ( resid 20 and name H) ( resid 20 and name HG3) 2.9 0.6 0.6 volume=185317771.500 peak=356 ppm1=8.464 ppm2=1.478 
assign ( resid 28 and name H) ( resid 28 and name HA) 3.5 0.7 0.7 volume=56266022.875 peak=9 ppm1=9.859 ppm2=4.279 
assign ( resid 33 and name H) ( resid 32 and name H) 3.1 0.6 0.6 volume=129231578.750 peak=68 ppm1=8.912 ppm2=9.460 
assign ( resid 18 and name H) ( resid 17 and name H) 4.1 0.8 0.8 volume=22948050.312 peak=347 ppm1=8.479 ppm2=7.017 
assign ( resid 14 and name H) ( resid 14 and name HA) 3.0 0.6 0.6 volume=139642159.750 peak=213 ppm1=8.350 ppm2=4.811 
assign ( resid 9 and name HD22) ( resid 42 and name HB3) 3.7 0.7 0.7 volume=45197531.625 peak=92 ppm1=8.924 ppm2=1.686 
assign ( resid 41 and name H) ( resid 41 and name HB3) 2.8 0.6 0.6 volume=232758062.000 peak=209 ppm1=8.491 ppm2=2.228 
assign ( resid 32 and name H) ( resid 32 and name HA3) 2.9 0.6 0.6 volume=182091934.000 peak=28 ppm1=9.462 ppm2=4.060 
assign ( resid 22 and name H) ( resid 21 and name H) 4.3 0.9 0.9 volume=17941148.156 peak=280 ppm1=8.368 ppm2=8.849 
assign ( resid 32 and name H) ( resid 31 and name HB3) 3.4 0.7 0.7 volume=70440284.250 peak=432 ppm1=9.465 ppm2=3.137 
assign ( resid 11 and name H) ( resid 7 and name H) 3.6 0.7 0.7 volume=51267741.875 peak=188 ppm1=8.052 ppm2=8.943 
assign ( resid 31 and name H) ( resid 30 and name HB#) 3.1 0.6 0.6 volume=115352547.250 peak=42 ppm1=9.410 ppm2=1.490 
assign ( resid 13 and name H) ( resid 14 and name HG2#) 3.8 0.8 0.8 volume=36922056.938 peak=339 ppm1=8.315 ppm2=1.155 
assign ( resid 2 and name H) ( resid 2 and name HB2) 3.2 0.6 0.6 volume=95121111.750 peak=279 ppm1=8.404 ppm2=1.689 
assign ( resid 24 and name H) ( resid 22 and name HB#) 4.4 0.9 0.9 volume=14645197.125 peak=417 ppm1=8.186 ppm2=1.327 
assign ( resid 25 and name H) ( resid 25 and name HB3) 3.0 0.6 0.6 volume=165307512.500 peak=367 ppm1=8.060 ppm2=2.685 
assign ( resid 33 and name H) ( resid 33 and name HB3) 2.9 0.6 0.6 volume=187903002.000 peak=72 ppm1=8.911 ppm2=1.794 
assign ( resid 18 and name H) ( resid 18 and name HD1) 3.2 0.6 0.6 volume=100093655.500 peak=346 ppm1=8.479 ppm2=7.249 
assign ( resid 18 and name HE1) ( resid 18 and name HB2) 4.0 0.8 0.8 volume=26420622.125 peak=16 ppm1=10.072 ppm2=3.132 
assign ( resid 1 and name H) ( resid 1 and name HA) 3.2 0.6 0.6 volume=98244378.000 peak=274 ppm1=8.494 ppm2=4.302 
assign ( resid 7 and name H) ( resid 8 and name H) 4.0 0.8 0.8 volume=25958657.828 peak=330 ppm1=8.943 ppm2=9.494 
assign ( resid 44 and name H) ( resid 44 and name HD2#) 3.5 0.7 0.7 volume=58703024.125 peak=273 ppm1=8.510 ppm2=0.822 
assign ( resid 42 and name H) ( resid 9 and name HD22) 4.0 0.8 0.8 volume=20915158.625 peak=49 ppm1=9.262 ppm2=8.925 
assign ( resid 29 and name H) ( resid 28 and name H) 4.1 0.8 0.8 volume=22100393.219 peak=252 ppm1=7.937 ppm2=9.837 
assign ( resid 21 and name HD22) ( resid 27 and name HG2#) 4.1 0.8 0.8 volume=24026529.812 peak=296 ppm1=7.898 ppm2=1.075 
assign ( resid 34 and name H) ( resid 33 and name HD2#) 3.8 0.8 0.8 volume=38777773.125 peak=250 ppm1=7.931 ppm2=0.821 
assign ( resid 21 and name HD21) ( resid 21 and name H) 4.1 0.8 0.8 volume=16684372.625 peak=284 ppm1=7.785 ppm2=8.853 
assign ( resid 39 and name HD21) ( resid 39 and name H) 4.5 0.9 0.9 volume=13359602.000 peak=325 ppm1=7.430 ppm2=8.924 
assign ( resid 7 and name H) ( resid 18 and name HZ3) 3.2 0.6 0.6 volume=110435836.750 peak=60 ppm1=8.940 ppm2=7.113 
assign ( resid 45 and name H) ( resid 45 and name HG2#) 4.0 0.8 0.8 volume=28150518.938 peak=412 ppm1=7.962 ppm2=1.119 
assign ( resid 35 and name H) ( resid 42 and name HB2) 4.5 0.9 0.9 volume=13917448.469 peak=384 ppm1=8.159 ppm2=1.196 
assign ( resid 20 and name H) ( resid 19 and name HB2) 2.9 0.6 0.6 volume=192491019.500 peak=355 ppm1=8.464 ppm2=2.097 
assign ( resid 23 and name HD21) ( resid 23 and name HB3) 3.3 0.7 0.7 volume=91466285.000 peak=300 ppm1=8.050 ppm2=2.644 
assign ( resid 23 and name HD21) ( resid 23 and name HB2) 3.3 0.7 0.7 volume=79668404.500 peak=299 ppm1=8.051 ppm2=2.892 
assign ( resid 34 and name H) ( resid 34 and name HD#) 3.3 0.7 0.7 volume=90591870.250 peak=244 ppm1=7.930 ppm2=7.336 
assign ( resid 13 and name H) ( resid 12 and name HA) 2.5 0.5 0.5 volume=494469783.000 peak=123 ppm1=8.314 ppm2=4.615 
assign ( resid 25 and name H) ( resid 20 and name HA) 4.5 0.9 0.9 volume=14051497.750 peak=362 ppm1=8.059 ppm2=5.337 
assign ( resid 23 and name H) ( resid 24 and name HA2) 3.8 0.8 0.8 volume=38572403.125 peak=164 ppm1=7.575 ppm2=3.546 
assign ( resid 40 and name H) ( resid 41 and name H) 3.8 0.8 0.8 volume=39698319.250 peak=203 ppm1=7.066 ppm2=8.492 
assign ( resid 21 and name HD21) ( resid 27 and name HG2#) 3.8 0.8 0.8 volume=38465789.500 peak=295 ppm1=7.788 ppm2=1.076 
assign ( resid 10 and name H) ( resid 10 and name HB3) 3.4 0.7 0.7 volume=72303300.500 peak=97 ppm1=8.803 ppm2=2.452 
assign ( resid 21 and name HD22) ( resid 21 and name HB3) 3.2 0.6 0.6 volume=113446467.250 peak=290 ppm1=7.899 ppm2=2.719 
assign ( resid 36 and name H) ( resid 35 and name HB2) 2.9 0.6 0.6 volume=183968087.000 peak=238 ppm1=8.010 ppm2=3.236 
assign ( resid 2 and name H) ( resid 2 and name HB3) 3.4 0.7 0.7 volume=74457114.125 peak=327 ppm1=8.400 ppm2=1.815 
assign ( resid 17 and name H) ( resid 29 and name HB3) 4.2 0.8 0.8 volume=18937837.719 peak=37 ppm1=7.028 ppm2=3.224 
assign ( resid 40 and name H) ( resid 39 and name HA) 3.3 0.7 0.7 volume=89936210.500 peak=157 ppm1=7.062 ppm2=3.471 
assign ( resid 23 and name H) ( resid 21 and name HD22) 4.1 0.8 0.8 volume=23066272.469 peak=429 ppm1=7.573 ppm2=7.898 
assign ( resid 18 and name H) ( resid 17 and name HA) 2.6 0.5 0.5 volume=387178954.000 peak=349 ppm1=8.478 ppm2=4.345 
assign ( resid 38 and name H) ( resid 37 and name H) 2.7 0.5 0.5 volume=231852464.000 peak=134 ppm1=8.198 ppm2=7.581 
assign ( resid 4 and name H) ( resid 5 and name H) 3.7 0.7 0.7 volume=42351581.500 peak=191 ppm1=8.433 ppm2=7.872 
assign ( resid 28 and name H) ( resid 27 and name HG2#) 3.7 0.7 0.7 volume=43524580.125 peak=10 ppm1=9.856 ppm2=1.170 
assign ( resid 37 and name H) ( resid 36 and name H) 2.8 0.6 0.6 volume=240962904.000 peak=234 ppm1=7.581 ppm2=8.010 
assign ( resid 8 and name H) ( resid 27 and name HA) 3.2 0.6 0.6 volume=103300992.750 peak=22 ppm1=9.498 ppm2=5.761 
assign ( resid 39 and name HD21) ( resid 39 and name HA) 4.2 0.8 0.8 volume=19666230.219 peak=322 ppm1=7.422 ppm2=3.455 
assign ( resid 23 and name H) ( resid 24 and name HA3) 4.2 0.8 0.8 volume=20224412.875 peak=167 ppm1=7.572 ppm2=4.324 
assign ( resid 38 and name H) ( resid 39 and name HA) 3.7 0.7 0.7 volume=40955984.375 peak=128 ppm1=8.197 ppm2=3.470 
assign ( resid 42 and name H) ( resid 41 and name HD21) 4.3 0.9 0.9 volume=17398530.531 peak=52 ppm1=9.255 ppm2=6.925 
assign ( resid 35 and name H) ( resid 40 and name H) 4.4 0.9 0.9 volume=15169869.875 peak=228 ppm1=8.154 ppm2=7.057 
assign ( resid 49 and name H) ( resid 48 and name H) 4.2 0.8 0.8 volume=18749967.562 peak=261 ppm1=8.122 ppm2=8.545 
assign ( resid 29 and name H) ( resid 28 and name HB3) 4.0 0.8 0.8 volume=29053467.375 peak=379 ppm1=7.938 ppm2=2.979 
assign ( resid 34 and name H) ( resid 33 and name HB3) 3.2 0.6 0.6 volume=102779321.000 peak=247 ppm1=7.931 ppm2=1.799 
assign ( resid 25 and name H) ( resid 24 and name HA3) 3.4 0.7 0.7 volume=74048600.500 peak=364 ppm1=8.059 ppm2=4.325 
assign ( resid 36 and name H) ( resid 36 and name HG2) 3.4 0.7 0.7 volume=71624163.375 peak=240 ppm1=8.010 ppm2=1.556 
assign ( resid 11 and name H) ( resid 11 and name HB3) 3.1 0.6 0.6 volume=119024374.000 peak=184 ppm1=8.052 ppm2=2.310 
assign ( resid 24 and name H) ( resid 23 and name H) 2.5 0.5 0.5 volume=385733074.000 peak=141 ppm1=8.188 ppm2=7.573 
assign ( resid 27 and name H) ( resid 27 and name HA) 3.7 0.7 0.7 volume=40371327.375 peak=371 ppm1=8.524 ppm2=5.768 
assign ( resid 41 and name H) ( resid 40 and name HG1#) 3.1 0.6 0.6 volume=127089135.750 peak=406 ppm1=8.490 ppm2=0.957 
assign ( resid 20 and name H) ( resid 20 and name HA) 3.4 0.7 0.7 volume=75611940.250 peak=353 ppm1=8.463 ppm2=5.330 
assign ( resid 29 and name HD21) ( resid 29 and name HB3) 3.6 0.7 0.7 volume=50622333.375 peak=307 ppm1=6.996 ppm2=3.267 
assign ( resid 39 and name H) ( resid 39 and name HB2) 3.4 0.7 0.7 volume=67424273.875 peak=401 ppm1=8.917 ppm2=2.634 
assign ( resid 32 and name H) ( resid 30 and name HB#) 4.1 0.8 0.8 volume=24484762.875 peak=31 ppm1=9.461 ppm2=1.546 
assign ( resid 24 and name H) ( resid 23 and name HB3) 3.6 0.7 0.7 volume=49005213.625 peak=147 ppm1=8.190 ppm2=2.659 
assign ( resid 5 and name H) ( resid 4 and name HA2) 2.7 0.5 0.5 volume=261059825.500 peak=193 ppm1=7.872 ppm2=3.898 
assign ( resid 23 and name H) ( resid 23 and name HB3) 2.8 0.6 0.6 volume=246508041.500 peak=163 ppm1=7.575 ppm2=2.646 
assign ( resid 12 and name H) ( resid 7 and name HB3) 3.5 0.7 0.7 volume=59905872.625 peak=108 ppm1=8.595 ppm2=3.054 
assign ( resid 36 and name H) ( resid 34 and name HA) 3.0 0.6 0.6 volume=165572555.000 peak=385 ppm1=8.013 ppm2=4.113 
assign ( resid 9 and name H) ( resid 9 and name HA) 3.2 0.6 0.6 volume=102354651.250 peak=423 ppm1=9.111 ppm2=5.013 
assign ( resid 32 and name H) ( resid 31 and name HB2) 3.2 0.6 0.6 volume=98102241.000 peak=30 ppm1=9.462 ppm2=3.260 
assign ( resid 35 and name H) ( resid 35 and name HA) 3.1 0.6 0.6 volume=126333416.000 peak=224 ppm1=8.158 ppm2=4.404 
assign ( resid 34 and name H) ( resid 34 and name HA) 2.6 0.5 0.5 volume=326137727.000 peak=245 ppm1=7.931 ppm2=4.121 
assign ( resid 24 and name H) ( resid 23 and name HB2) 3.9 0.8 0.8 volume=30940249.750 peak=146 ppm1=8.188 ppm2=2.901 
assign ( resid 15 and name H) ( resid 15 and name HA) 3.0 0.6 0.6 volume=161606701.000 peak=342 ppm1=7.983 ppm2=4.502 
assign ( resid 7 and name H) ( resid 6 and name HA) 2.8 0.6 0.6 volume=234640147.500 peak=62 ppm1=8.940 ppm2=5.115 
assign ( resid 25 and name H) ( resid 25 and name HA) 3.4 0.7 0.7 volume=78376824.750 peak=363 ppm1=8.061 ppm2=4.976 
assign ( resid 28 and name H) ( resid 7 and name H) 4.6 0.9 0.9 volume=11466123.172 peak=378 ppm1=9.857 ppm2=8.937 
assign ( resid 40 and name H) ( resid 35 and name HD#) 3.9 0.8 0.8 volume=32775352.688 peak=153 ppm1=7.063 ppm2=6.906 
assign ( resid 12 and name H) ( resid 11 and name HA) 3.4 0.7 0.7 volume=74388491.250 peak=111 ppm1=8.596 ppm2=4.390 
assign ( resid 24 and name H) ( resid 20 and name HB2) 3.8 0.8 0.8 volume=34759411.812 peak=148 ppm1=8.187 ppm2=1.592 
assign ( resid 27 and name H) ( resid 26 and name HA) 2.7 0.5 0.5 volume=318159087.000 peak=373 ppm1=8.527 ppm2=5.017 
assign ( resid 19 and name H) ( resid 18 and name HE3) 4.3 0.9 0.9 volume=16667033.500 peak=54 ppm1=9.233 ppm2=7.310 
assign ( resid 9 and name H) ( resid 7 and name H) 3.8 0.8 0.8 volume=39712259.438 peak=333 ppm1=9.111 ppm2=8.939 
assign ( resid 15 and name H) ( resid 18 and name HE1) 4.2 0.8 0.8 volume=16234254.375 peak=198 ppm1=7.984 ppm2=10.070 
assign ( resid 38 and name H) ( resid 37 and name HB2) 3.4 0.7 0.7 volume=76253834.625 peak=126 ppm1=8.199 ppm2=1.285 
assign ( resid 9 and name H) ( resid 11 and name HB3) 4.5 0.9 0.9 volume=14294029.875 peak=428 ppm1=9.112 ppm2=2.279 
assign ( resid 8 and name H) ( resid 28 and name H) 4.2 0.8 0.8 volume=18895429.812 peak=25 ppm1=9.498 ppm2=9.856 
assign ( resid 29 and name H) ( resid 28 and name HA) 3.4 0.7 0.7 volume=72817637.000 peak=253 ppm1=7.940 ppm2=4.264 
assign ( resid 1 and name H) ( resid 1 and name HB2) 3.2 0.6 0.6 volume=106522086.750 peak=326 ppm1=8.494 ppm2=1.664 
assign ( resid 9 and name HD22) ( resid 10 and name HB2) 3.8 0.8 0.8 volume=36985368.125 peak=90 ppm1=8.923 ppm2=3.264 
assign ( resid 11 and name HE22) ( resid 11 and name HG3) 4.1 0.8 0.8 volume=22241406.500 peak=317 ppm1=6.922 ppm2=2.317 
assign ( resid 23 and name HD22) ( resid 23 and name HB2) 3.8 0.8 0.8 volume=37260244.750 peak=301 ppm1=6.916 ppm2=2.894 
assign ( resid 18 and name H) ( resid 15 and name HG2#) 4.3 0.9 0.9 volume=16991493.750 peak=345 ppm1=8.480 ppm2=9.700 
assign ( resid 7 and name H) ( resid 7 and name HB2) 3.3 0.7 0.7 volume=92200864.250 peak=64 ppm1=8.938 ppm2=3.496 
assign ( resid 11 and name H) ( resid 10 and name H) 2.7 0.5 0.5 volume=265350857.500 peak=189 ppm1=8.051 ppm2=8.803 
assign ( resid 9 and name H) ( resid 27 and name HG2#) 3.4 0.7 0.7 volume=71614682.500 peak=436 ppm1=9.113 ppm2=1.092 
assign ( resid 10 and name H) ( resid 9 and name HD21) 4.0 0.8 0.8 volume=25654522.875 peak=102 ppm1=8.806 ppm2=7.786 
assign ( resid 29 and name HD21) ( resid 33 and name HD2#) 3.3 0.7 0.7 volume=84474489.750 peak=416 ppm1=6.995 ppm2=0.837 
assign ( resid 28 and name H) ( resid 31 and name HB3) 3.9 0.8 0.8 volume=33629582.312 peak=419 ppm1=9.858 ppm2=3.223 
assign ( resid 36 and name H) ( resid 36 and name HB3) 2.6 0.5 0.5 volume=367621836.000 peak=239 ppm1=8.011 ppm2=2.020 
assign ( resid 30 and name H) ( resid 29 and name HB3) 3.2 0.6 0.6 volume=95039693.750 peak=221 ppm1=8.290 ppm2=3.256 
assign ( resid 11 and name H) ( resid 11 and name HA) 2.5 0.5 0.5 volume=454567561.000 peak=186 ppm1=8.051 ppm2=4.394 
assign ( resid 10 and name H) ( resid 9 and name HB3) 3.4 0.7 0.7 volume=70178002.000 peak=96 ppm1=8.803 ppm2=2.693 
assign ( resid 47 and name H) ( resid 46 and name HA) 2.9 0.6 0.6 volume=196585683.500 peak=275 ppm1=8.396 ppm2=4.486 
assign ( resid 8 and name H) ( resid 9 and name H) 3.1 0.6 0.6 volume=116140488.500 peak=332 ppm1=9.498 ppm2=9.109 
assign ( resid 27 and name H) ( resid 18 and name HE3) 3.8 0.8 0.8 volume=38413324.125 peak=118 ppm1=8.527 ppm2=7.308 
assign ( resid 14 and name H) ( resid 14 and name HB) 3.0 0.6 0.6 volume=154077651.250 peak=215 ppm1=8.350 ppm2=4.005 
assign ( resid 37 and name H) ( resid 37 and name HB2) 2.8 0.6 0.6 volume=219053375.500 peak=179 ppm1=7.581 ppm2=1.281 
assign ( resid 9 and name HD21) ( resid 42 and name H) 3.7 0.7 0.7 volume=34828498.188 peak=50 ppm1=7.792 ppm2=9.260 
assign ( resid 34 and name H) ( resid 42 and name HB2) 4.1 0.8 0.8 volume=25092536.875 peak=249 ppm1=7.932 ppm2=1.217 
assign ( resid 15 and name HG2#) ( resid 18 and name HE1) 3.9 0.8 0.8 volume=34105461.562 peak=11 ppm1=10.074 ppm2=9.710 
assign ( resid 21 and name HD21) ( resid 22 and name H) 4.5 0.9 0.9 volume=13050598.094 peak=285 ppm1=7.792 ppm2=8.339 
assign ( resid 3 and name H) ( resid 3 and name HA) 3.0 0.6 0.6 volume=167074696.750 peak=267 ppm1=8.487 ppm2=4.305 
assign ( resid 36 and name H) ( resid 36 and name HD3) 3.6 0.7 0.7 volume=48585275.375 peak=386 ppm1=8.011 ppm2=1.694 
assign ( resid 23 and name H) ( resid 23 and name HB2) 3.0 0.6 0.6 volume=143615533.500 peak=162 ppm1=7.575 ppm2=2.890 
assign ( resid 39 and name H) ( resid 35 and name HD#) 4.4 0.9 0.9 volume=14631843.875 peak=394 ppm1=8.919 ppm2=6.920 
assign ( resid 38 and name H) ( resid 38 and name HA) 3.1 0.6 0.6 volume=117638277.250 peak=129 ppm1=8.198 ppm2=4.586 
assign ( resid 34 and name H) ( resid 34 and name HB2) 2.5 0.5 0.5 volume=467022080.000 peak=246 ppm1=7.931 ppm2=3.270 
assign ( resid 23 and name H) ( resid 22 and name HA) 3.4 0.7 0.7 volume=74361670.250 peak=168 ppm1=7.576 ppm2=4.072 
assign ( resid 9 and name HD21) ( resid 42 and name HB2) 4.1 0.8 0.8 volume=24170972.062 peak=95 ppm1=7.793 ppm2=1.160 
assign ( resid 23 and name H) ( resid 22 and name H) 3.6 0.7 0.7 volume=17192239.875 peak=281 ppm1=7.576 ppm2=8.345 
assign ( resid 7 and name H) ( resid 7 and name HA) 3.3 0.7 0.7 volume=91584027.000 peak=63 ppm1=8.940 ppm2=4.386 
assign ( resid 36 and name H) ( resid 35 and name HA) 3.6 0.7 0.7 volume=49544974.250 peak=233 ppm1=8.011 ppm2=4.407 
assign ( resid 23 and name HD21) ( resid 23 and name HA) 4.4 0.9 0.9 volume=15810450.562 peak=298 ppm1=8.050 ppm2=4.754 
assign ( resid 31 and name H) ( resid 31 and name HB2) 2.9 0.6 0.6 volume=185339949.000 peak=43 ppm1=9.410 ppm2=3.252 
assign ( resid 14 and name H) ( resid 14 and name HG2#) 3.0 0.6 0.6 volume=157174682.250 peak=340 ppm1=8.349 ppm2=1.145 
assign ( resid 28 and name H) ( resid 31 and name HB2) 3.7 0.7 0.7 volume=41671639.125 peak=418 ppm1=9.855 ppm2=3.321 
assign ( resid 39 and name HD21) ( resid 39 and name HB3) 3.5 0.7 0.7 volume=62795178.250 peak=318 ppm1=7.426 ppm2=3.031 
assign ( resid 21 and name H) ( resid 27 and name HG2#) 3.8 0.8 0.8 volume=34701277.188 peak=74 ppm1=8.856 ppm2=1.096 
assign ( resid 19 and name H) ( resid 19 and name HB3) 4.0 0.8 0.8 volume=25992742.938 peak=57 ppm1=9.232 ppm2=1.408 
assign ( resid 11 and name H) ( resid 10 and name HA) 3.7 0.7 0.7 volume=44807257.000 peak=185 ppm1=8.052 ppm2=4.958 
assign ( resid 19 and name H) ( resid 18 and name HB2) 4.2 0.8 0.8 volume=21686567.062 peak=56 ppm1=9.241 ppm2=3.100 
assign ( resid 14 and name H) ( resid 18 and name HZ2) 3.8 0.8 0.8 volume=35587236.500 peak=211 ppm1=8.350 ppm2=7.109 
assign ( resid 27 and name H) ( resid 18 and name HA) 4.1 0.8 0.8 volume=24593157.125 peak=374 ppm1=8.525 ppm2=4.744 
assign ( resid 17 and name H) ( resid 17 and name HA) 4.1 0.8 0.8 volume=22786757.688 peak=38 ppm1=7.031 ppm2=4.319 
assign ( resid 27 and name H) ( resid 20 and name HA) 3.4 0.7 0.7 volume=66835119.125 peak=372 ppm1=8.526 ppm2=5.334 
assign ( resid 21 and name HD21) ( resid 21 and name HB2) 3.3 0.7 0.7 volume=88956469.250 peak=291 ppm1=7.787 ppm2=3.316 
assign ( resid 41 and name H) ( resid 35 and name HE#) 3.5 0.7 0.7 volume=65545466.625 peak=205 ppm1=8.491 ppm2=6.730 
assign ( resid 38 and name H) ( resid 36 and name H) 4.3 0.9 0.9 volume=18073219.344 peak=135 ppm1=8.196 ppm2=8.020 
assign ( resid 29 and name H) ( resid 15 and name HB) 4.2 0.8 0.8 volume=19424556.188 peak=254 ppm1=7.936 ppm2=3.720 
assign ( resid 25 and name H) ( resid 24 and name HA2) 3.4 0.7 0.7 volume=73371610.500 peak=366 ppm1=8.060 ppm2=3.549 
assign ( resid 18 and name H) ( resid 18 and name HA) 3.4 0.7 0.7 volume=73396033.250 peak=348 ppm1=8.479 ppm2=4.719 
assign ( resid 9 and name HD21) ( resid 10 and name HB2) 3.9 0.8 0.8 volume=32015799.500 peak=91 ppm1=7.786 ppm2=3.262 
assign ( resid 40 and name H) ( resid 39 and name H) 3.1 0.6 0.6 volume=132537228.250 peak=151 ppm1=7.062 ppm2=8.917 
assign ( resid 15 and name H) ( resid 15 and name HB) 3.5 0.7 0.7 volume=60800175.375 peak=343 ppm1=7.983 ppm2=3.720 
assign ( resid 35 and name H) ( resid 35 and name HD#) 3.5 0.7 0.7 volume=57493568.875 peak=229 ppm1=8.158 ppm2=6.917 
assign ( resid 34 and name H) ( resid 33 and name H) 2.8 0.6 0.6 volume=146215889.000 peak=69 ppm1=7.930 ppm2=8.912 
assign ( resid 25 and name H) ( resid 20 and name HG2) 3.8 0.8 0.8 volume=39156940.250 peak=369 ppm1=8.059 ppm2=1.533 
assign ( resid 49 and name H) ( resid 48 and name HA) 2.8 0.6 0.6 volume=244443690.500 peak=262 ppm1=8.121 ppm2=4.344 
assign ( resid 8 and name H) ( resid 7 and name HB2) 4.5 0.9 0.9 volume=13631276.250 peak=17 ppm1=9.497 ppm2=3.444 
assign ( resid 12 and name H) ( resid 10 and name H) 4.0 0.8 0.8 volume=27282599.688 peak=103 ppm1=8.595 ppm2=8.793 
assign ( resid 30 and name H) ( resid 29 and name HB2) 3.1 0.6 0.6 volume=128461665.250 peak=222 ppm1=8.290 ppm2=2.789 
assign ( resid 24 and name H) ( resid 24 and name HA3) 2.9 0.6 0.6 volume=180807329.500 peak=143 ppm1=8.188 ppm2=4.323 
assign ( resid 36 and name H) ( resid 39 and name H) 4.0 0.8 0.8 volume=27143106.625 peak=237 ppm1=8.009 ppm2=8.913 
assign ( resid 20 and name H) ( resid 19 and name HA) 2.9 0.6 0.6 volume=204554788.500 peak=354 ppm1=8.463 ppm2=4.705 
assign ( resid 10 and name H) ( resid 9 and name H) 2.7 0.5 0.5 volume=262446174.000 peak=334 ppm1=8.802 ppm2=9.111 
assign ( resid 15 and name H) ( resid 14 and name H) 3.5 0.7 0.7 volume=55813425.875 peak=199 ppm1=7.982 ppm2=8.344 
assign ( resid 29 and name HD21) ( resid 17 and name HD1#) 3.3 0.7 0.7 volume=89067431.250 peak=312 ppm1=6.995 ppm2=0.916 
assign ( resid 29 and name HD21) ( resid 29 and name HB2) 3.3 0.7 0.7 volume=84307487.000 peak=309 ppm1=6.996 ppm2=2.781 
assign ( resid 37 and name H) ( resid 37 and name HB3) 3.0 0.6 0.6 volume=165294662.500 peak=180 ppm1=7.581 ppm2=0.857 
assign ( resid 37 and name H) ( resid 39 and name H) 3.9 0.8 0.8 volume=23610036.188 peak=392 ppm1=7.583 ppm2=8.917 
assign ( resid 32 and name H) ( resid 33 and name HB2) 4.0 0.8 0.8 volume=26612468.812 peak=32 ppm1=9.462 ppm2=1.475 
assign ( resid 18 and name HE1) ( resid 18 and name HD1) 2.5 0.5 0.5 volume=427435545.000 peak=12 ppm1=10.075 ppm2=7.245 
assign ( resid 21 and name HD22) ( resid 21 and name H) 4.6 0.9 0.9 volume=12433577.031 peak=286 ppm1=7.897 ppm2=8.849 
assign ( resid 45 and name H) ( resid 44 and name H) 3.3 0.7 0.7 volume=83963187.250 peak=270 ppm1=7.962 ppm2=8.510 
assign ( resid 24 and name H) ( resid 23 and name HA) 3.5 0.7 0.7 volume=63619319.000 peak=142 ppm1=8.188 ppm2=4.742 
assign ( resid 37 and name H) ( resid 36 and name HG2) 4.3 0.9 0.9 volume=17086565.094 peak=387 ppm1=7.580 ppm2=1.546 
assign ( resid 14 and name H) ( resid 13 and name HA) 3.3 0.7 0.7 volume=85818400.000 peak=212 ppm1=8.349 ppm2=5.186 
assign ( resid 29 and name HD21) ( resid 30 and name H) 4.1 0.8 0.8 volume=19843511.125 peak=302 ppm1=6.993 ppm2=8.288 
assign ( resid 7 and name H) ( resid 7 and name HB3) 3.3 0.7 0.7 volume=87703203.000 peak=65 ppm1=8.940 ppm2=3.073 
assign ( resid 8 and name H) ( resid 7 and name HB3) 4.5 0.9 0.9 volume=13510450.719 peak=18 ppm1=9.490 ppm2=3.123 
assign ( resid 38 and name H) ( resid 37 and name HB3) 3.3 0.7 0.7 volume=82430202.500 peak=127 ppm1=8.197 ppm2=0.866 
assign ( resid 7 and name H) ( resid 12 and name HG2#) 3.9 0.8 0.8 volume=30286946.812 peak=329 ppm1=8.941 ppm2=1.175 
assign ( resid 31 and name H) ( resid 31 and name HA) 3.0 0.6 0.6 volume=144271341.500 peak=44 ppm1=9.410 ppm2=4.073 
assign ( resid 41 and name H) ( resid 41 and name HA) 3.2 0.6 0.6 volume=105901687.500 peak=206 ppm1=8.492 ppm2=5.021 
assign ( resid 45 and name H) ( resid 44 and name HD2#) 4.3 0.9 0.9 volume=18182661.312 peak=413 ppm1=7.967 ppm2=0.800 
assign ( resid 19 and name H) ( resid 19 and name HA) 3.3 0.7 0.7 volume=91171938.250 peak=55 ppm1=9.242 ppm2=4.718 
assign ( resid 10 and name H) ( resid 10 and name HB2) 3.6 0.7 0.7 volume=48314294.250 peak=336 ppm1=8.802 ppm2=3.268 
assign ( resid 46 and name H) ( resid 46 and name HB3) 3.6 0.7 0.7 volume=53482315.875 peak=276 ppm1=8.394 ppm2=1.960 
assign ( resid 21 and name HD21) ( resid 21 and name HB3) 3.1 0.6 0.6 volume=130356274.500 peak=292 ppm1=7.787 ppm2=2.751 
assign ( resid 39 and name H) ( resid 40 and name HG1#) 4.3 0.9 0.9 volume=17590868.812 peak=402 ppm1=8.919 ppm2=0.922 
assign ( resid 40 and name H) ( resid 35 and name HE#) 4.2 0.8 0.8 volume=19689671.875 peak=154 ppm1=7.064 ppm2=6.730 
assign ( resid 5 and name H) ( resid 5 and name HB) 2.9 0.6 0.6 volume=182882885.000 peak=194 ppm1=7.872 ppm2=3.317 
assign ( resid 12 and name H) ( resid 12 and name HB) 2.5 0.5 0.5 volume=415590124.000 peak=110 ppm1=8.597 ppm2=4.625 
assign ( resid 15 and name H) ( resid 14 and name HG2#) 3.4 0.7 0.7 volume=68167176.500 peak=344 ppm1=7.984 ppm2=1.144 
assign ( resid 9 and name H) ( resid 8 and name HA) 3.7 0.7 0.7 volume=43461275.250 peak=425 ppm1=9.110 ppm2=4.201 
assign ( resid 28 and name H) ( resid 7 and name HB3) 3.3 0.7 0.7 volume=86406231.500 peak=7 ppm1=9.858 ppm2=3.108 
assign ( resid 45 and name H) ( resid 46 and name H) 4.3 0.9 0.9 volume=12637779.844 peak=278 ppm1=7.962 ppm2=8.396 
assign ( resid 35 and name H) ( resid 33 and name H) 3.9 0.8 0.8 volume=29679237.188 peak=231 ppm1=8.155 ppm2=8.912 
assign ( resid 8 and name H) ( resid 7 and name HA) 2.8 0.6 0.6 volume=243664658.500 peak=20 ppm1=9.498 ppm2=4.383 
assign ( resid 31 and name H) ( resid 28 and name H) 3.8 0.8 0.8 volume=29728282.875 peak=2 ppm1=9.409 ppm2=9.860 
assign ( resid 12 and name H) ( resid 11 and name H) 3.2 0.6 0.6 volume=113676758.250 peak=190 ppm1=8.596 ppm2=8.052 
assign ( resid 8 and name H) ( resid 8 and name HB#) 3.1 0.6 0.6 volume=120781254.000 peak=26 ppm1=9.497 ppm2=1.392 
assign ( resid 22 and name H) ( resid 21 and name HA) 4.0 0.8 0.8 volume=26963173.062 peak=420 ppm1=8.342 ppm2=4.746 
assign ( resid 9 and name H) ( resid 8 and name HB#) 3.6 0.7 0.7 volume=48694158.750 peak=435 ppm1=9.111 ppm2=1.396 
assign ( resid 12 and name H) ( resid 7 and name H) 3.5 0.7 0.7 volume=46448743.375 peak=58 ppm1=8.596 ppm2=8.939 
assign ( resid 24 and name H) ( resid 22 and name HA) 3.8 0.8 0.8 volume=35012190.312 peak=144 ppm1=8.187 ppm2=4.071 
assign ( resid 27 and name H) ( resid 18 and name HB3) 4.0 0.8 0.8 volume=25705331.375 peak=375 ppm1=8.530 ppm2=3.079 
assign ( resid 11 and name H) ( resid 7 and name HB3) 3.7 0.7 0.7 volume=40654649.500 peak=183 ppm1=8.053 ppm2=3.066 
assign ( resid 15 and name H) ( resid 18 and name HZ2) 3.9 0.8 0.8 volume=31361234.625 peak=200 ppm1=7.985 ppm2=7.092 
assign ( resid 40 and name H) ( resid 40 and name HA) 2.9 0.6 0.6 volume=191126495.000 peak=159 ppm1=7.062 ppm2=4.417 
assign ( resid 14 and name H) ( resid 12 and name HA) 3.0 0.6 0.6 volume=142128983.750 peak=214 ppm1=8.349 ppm2=4.619 
assign ( resid 13 and name H) ( resid 14 and name HA) 3.7 0.7 0.7 volume=42263523.375 peak=122 ppm1=8.312 ppm2=4.853 
assign ( resid 11 and name H) ( resid 12 and name HG2#) 4.2 0.8 0.8 volume=20763643.688 peak=181 ppm1=8.052 ppm2=1.209 
assign ( resid 40 and name H) ( resid 40 and name HB) 4.5 0.9 0.9 volume=14056170.906 peak=403 ppm1=7.063 ppm2=2.204 
assign ( resid 25 and name H) ( resid 25 and name HB2) 2.9 0.6 0.6 volume=174420177.500 peak=368 ppm1=8.060 ppm2=2.409 
assign ( resid 39 and name H) ( resid 39 and name HD22) 4.4 0.9 0.9 volume=14983383.938 peak=395 ppm1=8.918 ppm2=6.737 
assign ( resid 23 and name H) ( resid 21 and name H) 4.2 0.8 0.8 volume=19506425.281 peak=169 ppm1=7.574 ppm2=8.864 
assign ( resid 28 and name H) ( resid 27 and name HA) 3.0 0.6 0.6 volume=167816672.000 peak=6 ppm1=9.857 ppm2=5.762 
assign ( resid 7 and name H) ( resid 6 and name HB3) 3.4 0.7 0.7 volume=67825510.250 peak=66 ppm1=8.940 ppm2=2.555 
assign ( resid 21 and name HD22) ( resid 25 and name H) 3.5 0.7 0.7 volume=59274662.875 peak=282 ppm1=7.899 ppm2=8.059 
assign ( resid 49 and name H) ( resid 45 and name HB) 3.7 0.7 0.7 volume=44275812.125 peak=263 ppm1=8.123 ppm2=4.136 
assign ( resid 21 and name H) ( resid 26 and name HA) 3.6 0.7 0.7 volume=47631218.500 peak=80 ppm1=8.856 ppm2=5.014 
assign ( resid 36 and name H) ( resid 35 and name HD#) 3.6 0.7 0.7 volume=50409315.500 peak=235 ppm1=8.011 ppm2=6.916 
assign ( resid 15 and name H) ( resid 14 and name HA) 2.5 0.5 0.5 volume=510824749.000 peak=341 ppm1=7.983 ppm2=4.806 
assign ( resid 49 and name H) ( resid 46 and name HB3) 3.6 0.7 0.7 volume=48657959.000 peak=414 ppm1=8.122 ppm2=1.962 
assign ( resid 35 and name H) ( resid 34 and name HA) 3.1 0.6 0.6 volume=117645009.250 peak=225 ppm1=8.158 ppm2=4.103 
assign ( resid 39 and name HD22) ( resid 39 and name HB3) 4.0 0.8 0.8 volume=28404261.625 peak=319 ppm1=6.801 ppm2=3.022 
assign ( resid 34 and name H) ( resid 32 and name H) 3.8 0.8 0.8 volume=36672162.500 peak=241 ppm1=7.932 ppm2=9.444 
assign ( resid 11 and name H) ( resid 11 and name HB2) 3.2 0.6 0.6 volume=95112498.250 peak=337 ppm1=8.052 ppm2=2.450 
assign ( resid 30 and name H) ( resid 30 and name HB#) 2.7 0.5 0.5 volume=283951485.000 peak=223 ppm1=8.289 ppm2=1.489 
assign ( resid 23 and name H) ( resid 23 and name HA) 2.9 0.6 0.6 volume=176029971.500 peak=166 ppm1=7.574 ppm2=4.741 
assign ( resid 17 and name H) ( resid 16 and name HA) 4.1 0.8 0.8 volume=24073700.188 peak=39 ppm1=7.021 ppm2=4.174 
assign ( resid 8 and name H) ( resid 9 and name HB3) 4.5 0.9 0.9 volume=14026133.375 peak=19 ppm1=9.496 ppm2=2.671 
assign ( resid 46 and name H) ( resid 45 and name HA) 2.6 0.5 0.5 volume=328307793.000 peak=277 ppm1=8.398 ppm2=4.300 
assign ( resid 29 and name HD22) ( resid 17 and name HD1#) 3.6 0.7 0.7 volume=53109833.125 peak=415 ppm1=7.657 ppm2=0.914 
assign ( resid 41 and name HD21) ( resid 41 and name HA) 4.2 0.8 0.8 volume=19066576.062 peak=314 ppm1=6.927 ppm2=5.033 
assign ( resid 23 and name H) ( resid 22 and name HB#) 3.2 0.6 0.6 volume=101830335.750 peak=161 ppm1=7.574 ppm2=1.323 
assign ( resid 38 and name H) ( resid 35 and name HA) 3.6 0.7 0.7 volume=53126745.500 peak=130 ppm1=8.197 ppm2=4.416 
assign ( resid 13 and name H) ( resid 13 and name HA) 3.3 0.7 0.7 volume=84300949.250 peak=121 ppm1=8.314 ppm2=5.185 
assign ( resid 29 and name H) ( resid 30 and name H) 3.2 0.6 0.6 volume=108515055.250 peak=216 ppm1=7.937 ppm2=8.293 
assign ( resid 3 and name H) ( resid 3 and name HB#) 3.6 0.7 0.7 volume=53467622.750 peak=266 ppm1=8.485 ppm2=1.325 
assign ( resid 40 and name H) ( resid 34 and name HD#) 4.5 0.9 0.9 volume=13432166.000 peak=404 ppm1=7.064 ppm2=7.333 
assign ( resid 42 and name H) ( resid 34 and name HD#) 4.1 0.8 0.8 volume=23368888.750 peak=51 ppm1=9.261 ppm2=7.337 
assign ( resid 32 and name H) ( resid 27 and name HG1#) 3.7 0.7 0.7 volume=44259146.250 peak=33 ppm1=9.462 ppm2=0.671 
assign ( resid 21 and name HD22) ( resid 21 and name HA) 4.5 0.9 0.9 volume=13156594.812 peak=287 ppm1=7.896 ppm2=4.748 
assign ( resid 5 and name H) ( resid 5 and name HG2#) 4.0 0.8 0.8 volume=28264014.938 peak=195 ppm1=7.871 ppm2=-0.029 
assign ( resid 39 and name H) ( resid 38 and name HA) 3.6 0.7 0.7 volume=49145534.750 peak=397 ppm1=8.917 ppm2=4.585 
assign ( resid 29 and name HD22) ( resid 33 and name HD2#) 3.5 0.7 0.7 volume=57579097.500 peak=310 ppm1=7.659 ppm2=0.855 
assign ( resid 34 and name H) ( resid 30 and name HB#) 3.3 0.7 0.7 volume=89302712.750 peak=248 ppm1=7.931 ppm2=1.560 
assign ( resid 10 and name H) ( resid 9 and name HD22) 3.6 0.7 0.7 volume=50735650.000 peak=105 ppm1=8.802 ppm2=8.947 
assign ( resid 21 and name H) ( resid 21 and name HA) 3.1 0.6 0.6 volume=117852742.250 peak=81 ppm1=8.856 ppm2=4.739 
assign ( resid 44 and name H) ( resid 44 and name HA) 2.3 0.5 0.5 volume=764097598.000 peak=271 ppm1=8.510 ppm2=4.356 
assign ( resid 35 and name H) ( resid 35 and name HB2) 2.5 0.5 0.5 volume=512704813.000 peak=382 ppm1=8.158 ppm2=3.245 
assign ( resid 37 and name H) ( resid 37 and name HD2#) 3.8 0.8 0.8 volume=37773651.312 peak=388 ppm1=7.583 ppm2=0.674 
assign ( resid 21 and name H) ( resid 21 and name HB3) 3.3 0.7 0.7 volume=92177372.000 peak=78 ppm1=8.856 ppm2=2.761 
assign ( resid 31 and name H) ( resid 29 and name H) 4.2 0.8 0.8 volume=21020312.188 peak=45 ppm1=9.408 ppm2=7.933 
assign ( resid 38 and name H) ( resid 38 and name HB3) 3.1 0.6 0.6 volume=114954530.250 peak=125 ppm1=8.198 ppm2=2.532 
assign ( resid 21 and name H) ( resid 27 and name HG1#) 3.8 0.8 0.8 volume=34348606.625 peak=75 ppm1=8.856 ppm2=0.661 
assign ( resid 6 and name H) ( resid 5 and name HA) 2.3 0.5 0.5 volume=697104342.000 peak=258 ppm1=7.915 ppm2=3.814 
assign ( resid 20 and name H) ( resid 19 and name H) 4.3 0.9 0.9 volume=17400953.281 peak=351 ppm1=8.464 ppm2=9.238 
assign ( resid 25 and name H) ( resid 23 and name H) 3.1 0.6 0.6 volume=109440313.500 peak=359 ppm1=8.060 ppm2=7.575 
assign ( resid 19 and name H) ( resid 18 and name H) 4.0 0.8 0.8 volume=26207101.188 peak=53 ppm1=9.243 ppm2=8.501 
assign ( resid 41 and name H) ( resid 42 and name H) 3.9 0.8 0.8 volume=33195775.938 peak=201 ppm1=8.491 ppm2=9.259 
assign ( resid 40 and name H) ( resid 40 and name HG2#) 3.3 0.7 0.7 volume=88116644.000 peak=160 ppm1=7.062 ppm2=1.007 
assign ( resid 29 and name H) ( resid 29 and name HB2) 3.6 0.7 0.7 volume=49101910.500 peak=255 ppm1=7.941 ppm2=2.785 
assign ( resid 41 and name HD21) ( resid 41 and name H) 3.2 0.6 0.6 volume=42173222.750 peak=297 ppm1=6.924 ppm2=8.492 
assign ( resid 5 and name H) ( resid 3 and name HA) 4.2 0.8 0.8 volume=21444088.375 peak=192 ppm1=7.874 ppm2=4.325 
assign ( resid 18 and name H) ( resid 18 and name HB2) 2.9 0.6 0.6 volume=168677579.000 peak=350 ppm1=8.478 ppm2=3.110 
assign ( resid 7 and name H) ( resid 12 and name HA) 4.6 0.9 0.9 volume=11560871.219 peak=328 ppm1=8.943 ppm2=4.626 
assign ( resid 9 and name HD22) ( resid 42 and name HB2) 4.3 0.9 0.9 volume=17544751.188 peak=93 ppm1=8.933 ppm2=1.178 
assign ( resid 37 and name H) ( resid 38 and name HD2) 4.4 0.9 0.9 volume=15545553.500 peak=176 ppm1=7.583 ppm2=5.500 
assign ( resid 39 and name H) ( resid 35 and name HA) 3.4 0.7 0.7 volume=74798910.000 peak=398 ppm1=8.916 ppm2=4.410 
assign ( resid 30 and name H) ( resid 29 and name HD22) 3.8 0.8 0.8 volume=31379217.500 peak=303 ppm1=8.290 ppm2=7.660 
assign ( resid 40 and name H) ( resid 39 and name HB3) 3.7 0.7 0.7 volume=43305099.375 peak=158 ppm1=7.063 ppm2=3.070 
assign ( resid 36 and name H) ( resid 36 and name HA) 2.8 0.6 0.6 volume=254996187.000 peak=232 ppm1=8.011 ppm2=4.030 
assign ( resid 48 and name H) ( resid 48 and name HA) 2.8 0.6 0.6 volume=254845061.500 peak=264 ppm1=8.535 ppm2=4.312 
assign ( resid 13 and name H) ( resid 14 and name HB) 4.2 0.8 0.8 volume=19015031.500 peak=124 ppm1=8.312 ppm2=4.006 
assign ( resid 12 and name H) ( resid 11 and name HB2) 3.7 0.7 0.7 volume=42669093.875 peak=109 ppm1=8.594 ppm2=2.455 
assign ( resid 12 and name H) ( resid 12 and name HG2#) 3.0 0.6 0.6 volume=144295303.250 peak=106 ppm1=8.596 ppm2=1.164 
assign ( resid 29 and name HD21) ( resid 19 and name HG2) 4.5 0.9 0.9 volume=12737740.875 peak=311 ppm1=6.994 ppm2=1.323 
assign ( resid 28 and name H) ( resid 27 and name HG1#) 4.5 0.9 0.9 volume=13019688.281 peak=431 ppm1=9.852 ppm2=0.676 
assign ( resid 6 and name H) ( resid 26 and name HG3) 4.5 0.9 0.9 volume=14065230.938 peak=434 ppm1=7.909 ppm2=2.187 
# Restraints file 2: cnoesy_CF_160301.tbl.2
assign ( resid 21 and name HB3) ( resid 23 and name H) 4.3 0.9 0.9 volume=24280384.312 peak=729 ppm1=2.749 ppm2=7.561 
assign ( resid 35 and name HE#) ( resid 36 and name HA) 4.1 0.8 0.8 volume=27247520.375 peak=483 ppm1=6.709 ppm2=4.024 
assign ( resid 8 and name HB#) ( resid 31 and name HB2) 4.3 0.9 0.9 volume=25449153.656 peak=894 ppm1=1.441 ppm2=3.307 
assign ( resid 20 and name HG3) ( resid 20 and name HA) 3.5 0.7 0.7 volume=80063599.750 peak=749 ppm1=1.477 ppm2=5.314 
assign ( resid 5 and name HG2#) ( resid 5 and name H) 3.7 0.7 0.7 volume=58617884.875 peak=16 ppm1=-0.108 ppm2=7.893 
assign ( resid 7 and name HA) ( resid 8 and name HA) 4.2 0.8 0.8 volume=27920987.438 peak=902 ppm1=4.361 ppm2=4.187 
assign ( resid 17 and name HA) ( resid 18 and name H) 2.6 0.5 0.5 volume=539808562.000 peak=790 ppm1=4.322 ppm2=8.476 
assign ( resid 35 and name HD#) ( resid 39 and name H) 4.7 0.9 0.9 volume=15268619.031 peak=549 ppm1=6.897 ppm2=8.885 
assign ( resid 5 and name HB) ( resid 18 and name HE1) 4.7 0.9 0.9 volume=14366287.656 peak=927 ppm1=3.301 ppm2=10.039 
assign ( resid 31 and name HB2) ( resid 31 and name H) 3.4 0.7 0.7 volume=108532471.000 peak=196 ppm1=3.324 ppm2=9.408 
assign ( resid 27 and name HG1#) ( resid 32 and name HA2) 3.2 0.6 0.6 volume=147082368.750 peak=156 ppm1=0.698 ppm2=3.569 
assign ( resid 20 and name HG3) ( resid 20 and name HD2) 3.0 0.6 0.6 volume=204584539.000 peak=754 ppm1=1.477 ppm2=3.026 
assign ( resid 2 and name HG3) ( resid 2 and name H) 3.9 0.8 0.8 volume=41703384.188 peak=938 ppm1=1.583 ppm2=8.400 
assign ( resid 18 and name HZ2) ( resid 5 and name HB) 4.2 0.8 0.8 volume=29746081.000 peak=925 ppm1=7.066 ppm2=3.291 
assign ( resid 18 and name HD1) ( resid 18 and name HZ2) 4.1 0.8 0.8 volume=33869211.125 peak=948 ppm1=7.226 ppm2=7.059 
assign ( resid 30 and name HB#) ( resid 30 and name H) 2.6 0.5 0.5 volume=467160848.000 peak=280 ppm1=1.533 ppm2=8.270 
assign ( resid 16 and name HB) ( resid 17 and name H) 4.3 0.9 0.9 volume=22894777.375 peak=815 ppm1=4.181 ppm2=6.977 
assign ( resid 28 and name HB2) ( resid 29 and name H) 3.8 0.8 0.8 volume=53213715.125 peak=994 ppm1=2.499 ppm2=7.916 
assign ( resid 27 and name HG2#) ( resid 21 and name HB3) 3.1 0.6 0.6 volume=177056436.500 peak=999 ppm1=1.111 ppm2=2.737 
assign ( resid 35 and name HB2) ( resid 36 and name HB3) 4.0 0.8 0.8 volume=36812524.500 peak=512 ppm1=3.218 ppm2=1.999 
assign ( resid 31 and name HB3) ( resid 27 and name HA) 4.2 0.8 0.8 volume=16826453.812 peak=201 ppm1=3.173 ppm2=5.740 
assign ( resid 18 and name HB3) ( resid 18 and name HA) 3.8 0.8 0.8 volume=54657736.875 peak=780 ppm1=3.046 ppm2=4.694 
assign ( resid 26 and name HD2) ( resid 25 and name HB3) 3.3 0.7 0.7 volume=112912636.250 peak=680 ppm1=3.834 ppm2=2.676 
assign ( resid 43 and name HD3) ( resid 42 and name H) 4.6 0.9 0.9 volume=15725802.062 peak=137 ppm1=3.653 ppm2=9.229 
assign ( resid 20 and name HA) ( resid 27 and name HG1#) 3.4 0.7 0.7 volume=106552330.000 peak=79 ppm1=5.312 ppm2=0.699 
assign ( resid 30 and name HA) ( resid 34 and name HB2) 4.2 0.8 0.8 volume=27465873.375 peak=634 ppm1=4.153 ppm2=3.271 
assign ( resid 8 and name HB#) ( resid 25 and name H) 3.9 0.8 0.8 volume=40965093.812 peak=285 ppm1=1.440 ppm2=8.034 
assign ( resid 37 and name HG) ( resid 37 and name HB3) 2.9 0.6 0.6 volume=234836909.500 peak=461 ppm1=1.109 ppm2=0.844 
assign ( resid 30 and name HA) ( resid 33 and name HD2#) 3.3 0.7 0.7 volume=126538815.750 peak=637 ppm1=4.154 ppm2=0.859 
assign ( resid 44 and name HD2#) ( resid 44 and name H) 4.6 0.9 0.9 volume=15619032.062 peak=977 ppm1=0.801 ppm2=8.501 
assign ( resid 13 and name HB) ( resid 13 and name HA) 3.2 0.6 0.6 volume=153288282.500 peak=850 ppm1=4.740 ppm2=5.176 
assign ( resid 35 and name HA) ( resid 35 and name HD#) 3.2 0.6 0.6 volume=102520028.000 peak=517 ppm1=4.384 ppm2=6.896 
assign ( resid 12 and name HG2#) ( resid 15 and name HB) 3.7 0.7 0.7 volume=53492948.375 peak=833 ppm1=1.194 ppm2=3.695 
assign ( resid 32 and name HA2) ( resid 34 and name H) 4.7 0.9 0.9 volume=13692184.375 peak=115 ppm1=3.573 ppm2=7.934 
assign ( resid 26 and name HG2) ( resid 26 and name HD2) 3.1 0.6 0.6 volume=173636386.500 peak=686 ppm1=1.733 ppm2=3.806 
assign ( resid 10 and name HB3) ( resid 9 and name HD21) 4.5 0.9 0.9 volume=18220245.500 peak=173 ppm1=2.430 ppm2=7.783 
assign ( resid 43 and name HB3) ( resid 44 and name H) 3.3 0.7 0.7 volume=116741308.500 peak=378 ppm1=2.216 ppm2=8.490 
assign ( resid 42 and name HA) ( resid 34 and name HE#) 4.1 0.8 0.8 volume=32055375.562 peak=386 ppm1=3.152 ppm2=6.580 
assign ( resid 14 and name HA) ( resid 15 and name H) 2.9 0.6 0.6 volume=275122350.500 peak=849 ppm1=4.790 ppm2=7.967 
assign ( resid 12 and name HG2#) ( resid 13 and name HA) 4.1 0.8 0.8 volume=25323492.562 peak=859 ppm1=1.191 ppm2=5.151 
assign ( resid 33 and name HB2) ( resid 33 and name H) 3.3 0.7 0.7 volume=122117176.250 peak=602 ppm1=1.527 ppm2=8.893 
assign ( resid 27 and name HA) ( resid 18 and name HE3) 4.4 0.9 0.9 volume=20084292.812 peak=645 ppm1=5.740 ppm2=7.282 
assign ( resid 33 and name HB2) ( resid 34 and name H) 3.6 0.7 0.7 volume=68886508.000 peak=600 ppm1=1.530 ppm2=7.919 
assign ( resid 35 and name HD#) ( resid 39 and name HA) 4.1 0.8 0.8 volume=23047646.125 peak=424 ppm1=6.900 ppm2=3.446 
assign ( resid 7 and name HB2) ( resid 6 and name HA) 4.3 0.9 0.9 volume=25603120.312 peak=179 ppm1=3.471 ppm2=5.098 
assign ( resid 30 and name HB#) ( resid 33 and name HD2#) 3.6 0.7 0.7 volume=69162145.250 peak=273 ppm1=1.535 ppm2=0.860 
assign ( resid 31 and name HA) ( resid 30 and name HB#) 4.0 0.8 0.8 volume=36313845.500 peak=627 ppm1=4.050 ppm2=1.536 
assign ( resid 8 and name HB#) ( resid 27 and name HG1#) 4.0 0.8 0.8 volume=37038487.062 peak=299 ppm1=1.441 ppm2=0.717 
assign ( resid 21 and name HA) ( resid 21 and name HB2) 3.0 0.6 0.6 volume=91270048.250 peak=730 ppm1=4.715 ppm2=3.300 
assign ( resid 27 and name HA) ( resid 9 and name HB2) 4.4 0.9 0.9 volume=21472861.562 peak=647 ppm1=5.749 ppm2=3.483 
assign ( resid 36 and name HG2) ( resid 36 and name HD3) 2.6 0.5 0.5 volume=528587229.000 peak=506 ppm1=1.573 ppm2=1.709 
assign ( resid 33 and name HD2#) ( resid 29 and name HD21) 3.4 0.7 0.7 volume=101661174.000 peak=611 ppm1=0.861 ppm2=6.976 
assign ( resid 11 and name HA) ( resid 10 and name H) 3.8 0.8 0.8 volume=48419515.875 peak=865 ppm1=4.373 ppm2=8.778 
assign ( resid 9 and name HB2) ( resid 9 and name HB3) 2.7 0.5 0.5 volume=331731949.000 peak=312 ppm1=3.487 ppm2=2.673 
assign ( resid 9 and name HB2) ( resid 10 and name H) 3.4 0.7 0.7 volume=94993746.750 peak=317 ppm1=3.487 ppm2=8.791 
assign ( resid 26 and name HG3) ( resid 26 and name HA) 4.1 0.8 0.8 volume=33873344.562 peak=675 ppm1=2.144 ppm2=4.993 
assign ( resid 32 and name HA2) ( resid 19 and name HB2) 4.2 0.8 0.8 volume=28919583.750 peak=117 ppm1=3.564 ppm2=2.073 
assign ( resid 43 and name HD3) ( resid 34 and name HE#) 3.6 0.7 0.7 volume=75216251.750 peak=17 ppm1=3.642 ppm2=6.574 
assign ( resid 18 and name HH2) ( resid 7 and name HB2) 4.0 0.8 0.8 volume=39525123.250 peak=182 ppm1=6.346 ppm2=3.468 
assign ( resid 33 and name HB3) ( resid 33 and name HA) 2.9 0.6 0.6 volume=244158563.500 peak=594 ppm1=1.795 ppm2=4.115 
assign ( resid 17 and name HD2#) ( resid 29 and name HB3) 4.3 0.9 0.9 volume=23999310.812 peak=803 ppm1=0.768 ppm2=3.257 
assign ( resid 10 and name HA) ( resid 10 and name H) 3.3 0.7 0.7 volume=112957227.750 peak=880 ppm1=4.929 ppm2=8.781 
assign ( resid 27 and name HB) ( resid 27 and name HG2#) 2.8 0.6 0.6 volume=298427943.500 peak=654 ppm1=2.251 ppm2=1.110 
assign ( resid 12 and name HG2#) ( resid 28 and name H) 3.9 0.8 0.8 volume=44164988.500 peak=840 ppm1=1.192 ppm2=9.836 
assign ( resid 5 and name HB) ( resid 5 and name HG2#) 3.0 0.6 0.6 volume=197529943.500 peak=928 ppm1=3.297 ppm2=-0.109 
assign ( resid 40 and name HG2#) ( resid 39 and name HA) 4.6 0.9 0.9 volume=17185079.000 peak=254 ppm1=0.997 ppm2=3.461 
assign ( resid 19 and name HD2) ( resid 33 and name HB2) 3.3 0.7 0.7 volume=110388975.500 peak=775 ppm1=3.293 ppm2=1.521 
assign ( resid 34 and name HD#) ( resid 38 and name HB3) 4.1 0.8 0.8 volume=30648915.562 peak=68 ppm1=7.322 ppm2=2.560 
assign ( resid 20 and name HB3) ( resid 24 and name HA3) 4.2 0.8 0.8 volume=27566382.500 peak=742 ppm1=1.657 ppm2=4.296 
assign ( resid 43 and name HD3) ( resid 34 and name HD#) 4.1 0.8 0.8 volume=32325190.312 peak=136 ppm1=3.641 ppm2=7.323 
assign ( resid 20 and name HA) ( resid 21 and name H) 2.8 0.6 0.6 volume=296865342.000 peak=77 ppm1=5.314 ppm2=8.836 
assign ( resid 36 and name HB3) ( resid 36 and name H) 2.8 0.6 0.6 volume=351137504.000 peak=493 ppm1=2.004 ppm2=7.992 
assign ( resid 39 and name HB2) ( resid 39 and name HD21) 3.5 0.7 0.7 volume=84333099.250 peak=338 ppm1=2.627 ppm2=7.407 
assign ( resid 28 and name HB2) ( resid 7 and name HB2) 4.1 0.8 0.8 volume=30999594.438 peak=988 ppm1=2.501 ppm2=3.471 
assign ( resid 7 and name HB3) ( resid 12 and name H) 3.7 0.7 0.7 volume=57225980.000 peak=187 ppm1=3.046 ppm2=8.575 
assign ( resid 27 and name HG1#) ( resid 27 and name HG2#) 2.5 0.5 0.5 volume=509942520.000 peak=159 ppm1=0.698 ppm2=1.108 
assign ( resid 26 and name HB3) ( resid 5 and name HG2#) 3.6 0.7 0.7 volume=70084413.125 peak=666 ppm1=1.781 ppm2=-0.107 
assign ( resid 41 and name HA) ( resid 40 and name HA) 3.6 0.7 0.7 volume=68931710.250 peak=399 ppm1=5.013 ppm2=4.400 
assign ( resid 17 and name HD2#) ( resid 29 and name HA) 4.3 0.9 0.9 volume=24198086.969 peak=804 ppm1=0.770 ppm2=4.088 
assign ( resid 18 and name HZ2) ( resid 15 and name HG2#) 4.2 0.8 0.8 volume=27233034.250 peak=956 ppm1=7.069 ppm2=10.688 
assign ( resid 40 and name HG2#) ( resid 41 and name H) 3.5 0.7 0.7 volume=88998882.375 peak=261 ppm1=1.000 ppm2=8.474 
assign ( resid 21 and name HB3) ( resid 21 and name H) 3.6 0.7 0.7 volume=73482252.250 peak=723 ppm1=2.750 ppm2=8.836 
assign ( resid 6 and name HB2) ( resid 6 and name HA) 3.0 0.6 0.6 volume=123838215.500 peak=303 ppm1=2.513 ppm2=5.095 
assign ( resid 7 and name HA) ( resid 9 and name H) 4.4 0.9 0.9 volume=21605244.812 peak=895 ppm1=4.357 ppm2=9.091 
assign ( resid 24 and name HA2) ( resid 23 and name H) 4.2 0.8 0.8 volume=28036908.875 peak=97 ppm1=3.535 ppm2=7.554 
assign ( resid 31 and name HB2) ( resid 9 and name HB3) 3.8 0.8 0.8 volume=21509359.000 peak=206 ppm1=3.325 ppm2=2.677 
assign ( resid 2 and name HB3) ( resid 2 and name HG3) 2.1 0.4 0.4 volume=1570322792.000 peak=939 ppm1=1.795 ppm2=1.594 
assign ( resid 40 and name HB) ( resid 34 and name HE#) 4.2 0.8 0.8 volume=28480769.000 peak=582 ppm1=2.211 ppm2=6.579 
assign ( resid 11 and name HB2) ( resid 6 and name HB3) 4.7 0.9 0.9 volume=14295248.109 peak=870 ppm1=2.475 ppm2=2.647 
assign ( resid 16 and name HA) ( resid 17 and name H) 4.1 0.8 0.8 volume=30834997.375 peak=812 ppm1=4.140 ppm2=7.003 
assign ( resid 7 and name HB3) ( resid 7 and name HA) 3.2 0.6 0.6 volume=93689789.250 peak=904 ppm1=3.048 ppm2=4.368 
assign ( resid 12 and name HB) ( resid 12 and name H) 3.1 0.6 0.6 volume=159385162.000 peak=862 ppm1=4.611 ppm2=8.575 
assign ( resid 40 and name HG1#) ( resid 38 and name HA) 4.5 0.9 0.9 volume=19123354.781 peak=246 ppm1=0.933 ppm2=4.573 
assign ( resid 3 and name HA) ( resid 4 and name HA2) 3.9 0.8 0.8 volume=44979159.250 peak=91 ppm1=4.292 ppm2=3.895 
assign ( resid 34 and name HB2) ( resid 34 and name HA) 2.9 0.6 0.6 volume=273719677.000 peak=566 ppm1=3.252 ppm2=4.091 
assign ( resid 27 and name HG2#) ( resid 20 and name HA) 4.3 0.9 0.9 volume=23011355.344 peak=225 ppm1=1.111 ppm2=5.302 
assign ( resid 18 and name HZ3) ( resid 7 and name HB2) 4.6 0.9 0.9 volume=16260442.344 peak=51 ppm1=7.096 ppm2=3.468 
assign ( resid 18 and name HH2) ( resid 26 and name HB2) 4.5 0.9 0.9 volume=18447992.562 peak=657 ppm1=6.338 ppm2=1.587 
assign ( resid 8 and name HB#) ( resid 8 and name HA) 2.4 0.5 0.5 volume=775569608.000 peak=291 ppm1=1.438 ppm2=4.177 
assign ( resid 9 and name HB2) ( resid 8 and name HB#) 4.2 0.8 0.8 volume=18677390.125 peak=323 ppm1=3.480 ppm2=1.440 
assign ( resid 48 and name HA) ( resid 49 and name H) 2.8 0.6 0.6 volume=341589394.000 peak=349 ppm1=4.324 ppm2=8.099 
assign ( resid 37 and name HD2#) ( resid 38 and name H) 4.5 0.9 0.9 volume=17445209.938 peak=468 ppm1=0.633 ppm2=8.178 
assign ( resid 18 and name HD1) ( resid 15 and name HG2#) 4.5 0.9 0.9 volume=18230681.906 peak=963 ppm1=7.236 ppm2=10.702 
assign ( resid 30 and name HB#) ( resid 29 and name HD22) 4.7 0.9 0.9 volume=14133148.062 peak=278 ppm1=1.533 ppm2=7.632 
assign ( resid 33 and name HB3) ( resid 33 and name H) 3.1 0.6 0.6 volume=170077123.500 peak=601 ppm1=1.795 ppm2=8.894 
assign ( resid 27 and name HG1#) ( resid 32 and name HA3) 3.1 0.6 0.6 volume=190410079.500 peak=121 ppm1=0.697 ppm2=4.030 
assign ( resid 40 and name HG1#) ( resid 39 and name HA) 4.4 0.9 0.9 volume=20054270.625 peak=428 ppm1=0.936 ppm2=3.451 
assign ( resid 20 and name HB2) ( resid 20 and name HD2) 2.6 0.5 0.5 volume=449708240.000 peak=760 ppm1=1.590 ppm2=3.025 
assign ( resid 24 and name HA2) ( resid 24 and name H) 3.0 0.6 0.6 volume=228656257.500 peak=99 ppm1=3.530 ppm2=8.167 
assign ( resid 44 and name HD1#) ( resid 9 and name HD22) 3.8 0.8 0.8 volume=54106555.875 peak=617 ppm1=0.850 ppm2=8.899 
assign ( resid 35 and name HB2) ( resid 34 and name HD#) 4.0 0.8 0.8 volume=35971343.500 peak=529 ppm1=3.218 ppm2=7.318 
assign ( resid 42 and name HB2) ( resid 43 and name HD3) 4.3 0.9 0.9 volume=20891221.281 peak=393 ppm1=1.166 ppm2=3.640 
assign ( resid 18 and name HD1) ( resid 18 and name HE1) 2.9 0.6 0.6 volume=240267422.000 peak=950 ppm1=7.227 ppm2=10.054 
assign ( resid 6 and name HB3) ( resid 13 and name HG2#) 3.2 0.6 0.6 volume=156174706.000 peak=310 ppm1=2.623 ppm2=1.331 
assign ( resid 40 and name HG2#) ( resid 35 and name HE#) 4.0 0.8 0.8 volume=35495130.125 peak=555 ppm1=1.004 ppm2=6.726 
assign ( resid 2 and name HB2) ( resid 3 and name H) 4.0 0.8 0.8 volume=38421561.000 peak=944 ppm1=1.728 ppm2=8.462 
assign ( resid 40 and name HG2#) ( resid 40 and name HA) 2.7 0.5 0.5 volume=442014554.000 peak=412 ppm1=1.001 ppm2=4.415 
assign ( resid 43 and name HB2) ( resid 44 and name H) 3.3 0.7 0.7 volume=120632443.500 peak=379 ppm1=1.785 ppm2=8.492 
assign ( resid 37 and name HD1#) ( resid 36 and name HB3) 3.8 0.8 0.8 volume=50683914.625 peak=474 ppm1=0.710 ppm2=1.986 
assign ( resid 7 and name HA) ( resid 27 and name HB) 4.2 0.8 0.8 volume=27251200.562 peak=905 ppm1=4.360 ppm2=2.217 
assign ( resid 16 and name HG2#) ( resid 17 and name H) 4.2 0.8 0.8 volume=27817402.062 peak=820 ppm1=1.235 ppm2=6.994 
assign ( resid 18 and name HH2) ( resid 28 and name H) 4.7 0.9 0.9 volume=14940391.281 peak=33 ppm1=6.340 ppm2=9.834 
assign ( resid 27 and name HG2#) ( resid 9 and name H) 3.5 0.7 0.7 volume=90414918.250 peak=230 ppm1=1.110 ppm2=9.090 
assign ( resid 14 and name HG2#) ( resid 15 and name H) 3.9 0.8 0.8 volume=44104123.625 peak=841 ppm1=1.144 ppm2=7.960 
assign ( resid 23 and name HB2) ( resid 23 and name H) 3.2 0.6 0.6 volume=143843522.250 peak=702 ppm1=2.876 ppm2=7.555 
assign ( resid 11 and name HA) ( resid 7 and name HB2) 3.6 0.7 0.7 volume=68202841.250 peak=866 ppm1=4.379 ppm2=3.471 
assign ( resid 10 and name HB3) ( resid 11 and name H) 4.6 0.9 0.9 volume=16357230.219 peak=172 ppm1=2.436 ppm2=8.024 
assign ( resid 39 and name HB2) ( resid 40 and name HG2#) 3.9 0.8 0.8 volume=44160034.625 peak=348 ppm1=2.628 ppm2=0.986 
assign ( resid 31 and name HB3) ( resid 27 and name HG2#) 3.7 0.7 0.7 volume=49413071.375 peak=211 ppm1=3.178 ppm2=1.111 
assign ( resid 9 and name HB2) ( resid 8 and name H) 4.7 0.9 0.9 volume=14020504.656 peak=322 ppm1=3.482 ppm2=9.468 
assign ( resid 29 and name HB2) ( resid 29 and name HD22) 3.5 0.7 0.7 volume=86067678.000 peak=640 ppm1=2.766 ppm2=7.638 
assign ( resid 37 and name HD1#) ( resid 38 and name HE1) 4.7 0.9 0.9 volume=13607682.750 peak=438 ppm1=0.712 ppm2=7.900 
assign ( resid 23 and name HB3) ( resid 21 and name HD22) 3.9 0.8 0.8 volume=42432365.250 peak=707 ppm1=2.626 ppm2=7.862 
assign ( resid 35 and name HD#) ( resid 41 and name HA) 3.9 0.8 0.8 volume=43417790.750 peak=541 ppm1=6.900 ppm2=5.009 
assign ( resid 27 and name HG1#) ( resid 18 and name HE3) 4.7 0.9 0.9 volume=14840089.344 peak=150 ppm1=0.697 ppm2=7.300 
assign ( resid 3 and name HA) ( resid 3 and name HB#) 2.5 0.5 0.5 volume=505466191.000 peak=984 ppm1=4.291 ppm2=1.372 
assign ( resid 21 and name HB2) ( resid 23 and name H) 4.5 0.9 0.9 volume=19034831.188 peak=728 ppm1=3.305 ppm2=7.562 
assign ( resid 25 and name HA) ( resid 25 and name HB3) 3.0 0.6 0.6 volume=198790265.000 peak=89 ppm1=4.955 ppm2=2.673 
assign ( resid 9 and name HB3) ( resid 10 and name H) 3.5 0.7 0.7 volume=82870745.500 peak=320 ppm1=2.675 ppm2=8.801 
assign ( resid 31 and name HA) ( resid 34 and name H) 4.0 0.8 0.8 volume=37732640.688 peak=623 ppm1=4.048 ppm2=7.907 
assign ( resid 13 and name HG2#) ( resid 11 and name HA) 4.4 0.9 0.9 volume=22553558.375 peak=269 ppm1=1.328 ppm2=4.337 
assign ( resid 6 and name HB2) ( resid 11 and name HA) 3.6 0.7 0.7 volume=73842600.625 peak=300 ppm1=2.514 ppm2=4.369 
assign ( resid 20 and name HG2) ( resid 20 and name HA) 3.5 0.7 0.7 volume=82986685.000 peak=748 ppm1=1.563 ppm2=5.311 
assign ( resid 42 and name HB2) ( resid 34 and name HD#) 4.2 0.8 0.8 volume=17136159.312 peak=390 ppm1=1.167 ppm2=7.309 
assign ( resid 30 and name HA) ( resid 33 and name HB3) 3.4 0.7 0.7 volume=103132981.750 peak=635 ppm1=4.155 ppm2=1.787 
assign ( resid 37 and name HB3) ( resid 37 and name HA) 2.9 0.6 0.6 volume=274244496.500 peak=443 ppm1=0.843 ppm2=4.023 
assign ( resid 37 and name HB2) ( resid 37 and name H) 3.0 0.6 0.6 volume=225779361.500 peak=452 ppm1=1.273 ppm2=7.563 
assign ( resid 14 and name HA) ( resid 14 and name HB) 3.0 0.6 0.6 volume=215751122.500 peak=847 ppm1=4.793 ppm2=3.986 
assign ( resid 17 and name HA) ( resid 17 and name H) 3.7 0.7 0.7 volume=57930221.750 peak=789 ppm1=4.327 ppm2=7.013 
assign ( resid 18 and name HB2) ( resid 19 and name H) 4.2 0.8 0.8 volume=29080647.250 peak=785 ppm1=3.162 ppm2=9.218 
assign ( resid 35 and name HD#) ( resid 36 and name H) 3.9 0.8 0.8 volume=41518292.875 peak=548 ppm1=6.901 ppm2=7.987 
assign ( resid 27 and name HG2#) ( resid 8 and name HB#) 2.7 0.5 0.5 volume=366834041.000 peak=298 ppm1=1.111 ppm2=1.433 
assign ( resid 27 and name HG1#) ( resid 28 and name H) 4.1 0.8 0.8 volume=34180074.438 peak=155 ppm1=0.696 ppm2=9.845 
assign ( resid 11 and name HB3) ( resid 11 and name H) 4.0 0.8 0.8 volume=36814734.125 peak=875 ppm1=2.346 ppm2=8.033 
assign ( resid 28 and name HB2) ( resid 18 and name HZ3) 4.4 0.9 0.9 volume=21275276.594 peak=995 ppm1=2.506 ppm2=7.089 
assign ( resid 36 and name HG2) ( resid 37 and name H) 4.6 0.9 0.9 volume=17029153.531 peak=498 ppm1=1.576 ppm2=7.569 
assign ( resid 43 and name HD2) ( resid 43 and name HB3) 3.8 0.8 0.8 volume=54519568.125 peak=372 ppm1=2.952 ppm2=2.215 
assign ( resid 36 and name HA) ( resid 36 and name HG2) 3.1 0.6 0.6 volume=187020647.500 peak=488 ppm1=4.002 ppm2=1.576 
assign ( resid 31 and name HB3) ( resid 27 and name HG1#) 3.5 0.7 0.7 volume=50017318.250 peak=213 ppm1=3.175 ppm2=0.703 
assign ( resid 25 and name HB3) ( resid 21 and name HD22) 3.4 0.7 0.7 volume=92805561.500 peak=332 ppm1=2.677 ppm2=7.868 
assign ( resid 35 and name HE#) ( resid 41 and name H) 3.8 0.8 0.8 volume=50322605.375 peak=22 ppm1=6.708 ppm2=8.470 
assign ( resid 36 and name HB3) ( resid 19 and name HD2) 4.1 0.8 0.8 volume=33179985.500 peak=511 ppm1=2.007 ppm2=3.256 
assign ( resid 31 and name HB2) ( resid 27 and name HA) 4.6 0.9 0.9 volume=16974469.906 peak=200 ppm1=3.322 ppm2=5.737 
assign ( resid 20 and name HA) ( resid 26 and name HA) 3.3 0.7 0.7 volume=53596346.250 peak=74 ppm1=5.312 ppm2=5.007 
assign ( resid 28 and name HB2) ( resid 18 and name HH2) 4.4 0.9 0.9 volume=21807256.938 peak=964 ppm1=2.487 ppm2=6.339 
assign ( resid 27 and name HG2#) ( resid 28 and name H) 3.9 0.8 0.8 volume=46702068.500 peak=233 ppm1=1.112 ppm2=9.842 
assign ( resid 13 and name HG2#) ( resid 6 and name H) 4.4 0.9 0.9 volume=22492830.719 peak=264 ppm1=1.328 ppm2=7.883 
assign ( resid 2 and name HB2) ( resid 2 and name HD3) 3.0 0.6 0.6 volume=192925254.000 peak=942 ppm1=1.721 ppm2=3.128 
assign ( resid 30 and name HA) ( resid 34 and name H) 4.2 0.8 0.8 volume=27726971.688 peak=633 ppm1=4.152 ppm2=7.912 
assign ( resid 29 and name HB3) ( resid 17 and name HB2) 3.3 0.7 0.7 volume=119993779.000 peak=575 ppm1=3.245 ppm2=1.455 
assign ( resid 37 and name HD2#) ( resid 37 and name HG) 2.8 0.6 0.6 volume=344993080.000 peak=235 ppm1=0.636 ppm2=1.114 
assign ( resid 27 and name HA) ( resid 27 and name H) 3.9 0.8 0.8 volume=40931715.125 peak=3 ppm1=5.742 ppm2=8.504 
assign ( resid 18 and name HA) ( resid 18 and name H) 3.5 0.7 0.7 volume=84046124.250 peak=777 ppm1=4.690 ppm2=8.466 
assign ( resid 27 and name HA) ( resid 28 and name HB3) 3.8 0.8 0.8 volume=48380425.125 peak=6 ppm1=5.742 ppm2=3.039 
assign ( resid 25 and name HB3) ( resid 21 and name HD21) 3.4 0.7 0.7 volume=91807092.500 peak=334 ppm1=2.680 ppm2=7.774 
assign ( resid 32 and name HA3) ( resid 33 and name H) 3.8 0.8 0.8 volume=52044318.000 peak=109 ppm1=4.029 ppm2=8.891 
assign ( resid 36 and name HG3) ( resid 37 and name H) 4.4 0.9 0.9 volume=22282748.938 peak=499 ppm1=1.460 ppm2=7.565 
assign ( resid 34 and name HA) ( resid 34 and name HD#) 3.5 0.7 0.7 volume=90811423.750 peak=559 ppm1=4.108 ppm2=7.317 
assign ( resid 40 and name HG1#) ( resid 35 and name HD#) 4.4 0.9 0.9 volume=19161313.656 peak=418 ppm1=0.935 ppm2=6.888 
assign ( resid 21 and name HB2) ( resid 21 and name HB3) 2.7 0.5 0.5 volume=409559279.000 peak=997 ppm1=3.303 ppm2=2.750 
assign ( resid 26 and name HD2) ( resid 8 and name HB#) 4.0 0.8 0.8 volume=35607676.062 peak=685 ppm1=3.836 ppm2=1.437 
assign ( resid 45 and name HG2#) ( resid 44 and name H) 4.6 0.9 0.9 volume=16844431.656 peak=356 ppm1=1.161 ppm2=8.482 
assign ( resid 29 and name HB2) ( resid 29 and name HD21) 3.5 0.7 0.7 volume=83966417.750 peak=639 ppm1=2.767 ppm2=6.982 
assign ( resid 43 and name HG3) ( resid 44 and name H) 4.0 0.8 0.8 volume=39775865.250 peak=385 ppm1=1.906 ppm2=8.493 
assign ( resid 28 and name HB2) ( resid 30 and name H) 4.5 0.9 0.9 volume=19287782.750 peak=993 ppm1=2.493 ppm2=8.262 
assign ( resid 41 and name HB2) ( resid 41 and name HA) 2.9 0.6 0.6 volume=71858989.000 peak=404 ppm1=2.669 ppm2=5.007 
assign ( resid 26 and name HG2) ( resid 26 and name HG3) 2.4 0.5 0.5 volume=580320960.000 peak=667 ppm1=1.731 ppm2=2.140 
assign ( resid 2 and name HG3) ( resid 2 and name HA) 2.6 0.5 0.5 volume=304337052.000 peak=937 ppm1=1.581 ppm2=4.288 
assign ( resid 20 and name HD2) ( resid 24 and name H) 4.5 0.9 0.9 volume=18505611.062 peak=757 ppm1=3.015 ppm2=8.164 
assign ( resid 2 and name HA) ( resid 2 and name HB2) 2.5 0.5 0.5 volume=567434649.000 peak=946 ppm1=4.280 ppm2=1.724 
assign ( resid 36 and name HA) ( resid 35 and name HD#) 3.6 0.7 0.7 volume=39038596.188 peak=482 ppm1=4.004 ppm2=6.901 
assign ( resid 25 and name HB3) ( resid 25 and name HB2) 2.6 0.5 0.5 volume=495835950.000 peak=327 ppm1=2.677 ppm2=2.392 
assign ( resid 29 and name HA) ( resid 30 and name H) 3.9 0.8 0.8 volume=42293611.000 peak=588 ppm1=4.078 ppm2=8.263 
assign ( resid 22 and name HA) ( resid 23 and name H) 3.7 0.7 0.7 volume=61056641.500 peak=713 ppm1=4.052 ppm2=7.554 
assign ( resid 7 and name HB2) ( resid 11 and name H) 3.5 0.7 0.7 volume=82208935.000 peak=183 ppm1=3.472 ppm2=8.026 
assign ( resid 33 and name HG) ( resid 34 and name H) 4.0 0.8 0.8 volume=36927142.375 peak=610 ppm1=1.687 ppm2=7.923 
assign ( resid 28 and name HA) ( resid 12 and name HG2#) 3.9 0.8 0.8 volume=43070594.625 peak=976 ppm1=4.249 ppm2=1.191 
assign ( resid 34 and name HD#) ( resid 34 and name H) 3.9 0.8 0.8 volume=46678079.000 peak=60 ppm1=7.320 ppm2=7.913 
assign ( resid 29 and name HA) ( resid 29 and name H) 3.3 0.7 0.7 volume=117986896.000 peak=589 ppm1=4.094 ppm2=7.933 
assign ( resid 22 and name HB#) ( resid 23 and name HA) 3.9 0.8 0.8 volume=41067773.000 peak=717 ppm1=1.368 ppm2=4.722 
assign ( resid 26 and name HA) ( resid 27 and name H) 2.8 0.6 0.6 volume=307487095.500 peak=81 ppm1=5.004 ppm2=8.503 
assign ( resid 31 and name HA) ( resid 34 and name HD#) 4.6 0.9 0.9 volume=17114729.406 peak=624 ppm1=4.040 ppm2=7.303 
assign ( resid 20 and name HG3) ( resid 24 and name HA2) 4.3 0.9 0.9 volume=25515840.125 peak=753 ppm1=1.477 ppm2=3.520 
assign ( resid 33 and name HA) ( resid 36 and name HB3) 2.8 0.6 0.6 volume=328755076.000 peak=593 ppm1=4.103 ppm2=2.008 
assign ( resid 37 and name HB2) ( resid 38 and name H) 3.6 0.7 0.7 volume=73206079.000 peak=451 ppm1=1.275 ppm2=8.179 
assign ( resid 27 and name HB) ( resid 28 and name H) 3.3 0.7 0.7 volume=115279465.500 peak=652 ppm1=2.251 ppm2=9.837 
assign ( resid 18 and name HB3) ( resid 19 and name H) 4.3 0.9 0.9 volume=25642106.625 peak=786 ppm1=3.049 ppm2=9.222 
assign ( resid 40 and name HG1#) ( resid 43 and name HG3) 4.2 0.8 0.8 volume=27843151.125 peak=252 ppm1=0.933 ppm2=1.903 
assign ( resid 19 and name HD3) ( resid 33 and name HB2) 3.7 0.7 0.7 volume=62316181.500 peak=774 ppm1=2.854 ppm2=1.530 
assign ( resid 26 and name HA) ( resid 21 and name H) 4.0 0.8 0.8 volume=39375057.062 peak=82 ppm1=4.999 ppm2=8.855 
assign ( resid 10 and name HB2) ( resid 10 and name HB3) 2.6 0.5 0.5 volume=472872375.000 peak=164 ppm1=3.293 ppm2=2.434 
assign ( resid 35 and name HA) ( resid 38 and name HB2) 4.2 0.8 0.8 volume=30184015.312 peak=525 ppm1=4.387 ppm2=3.022 
assign ( resid 26 and name HD3) ( resid 26 and name HG3) 3.0 0.6 0.6 volume=172460105.500 peak=682 ppm1=3.740 ppm2=2.140 
assign ( resid 36 and name HB3) ( resid 37 and name H) 3.1 0.6 0.6 volume=166903484.500 peak=492 ppm1=2.002 ppm2=7.562 
assign ( resid 8 and name HB#) ( resid 21 and name H) 4.6 0.9 0.9 volume=16651874.062 peak=284 ppm1=1.433 ppm2=8.832 
assign ( resid 39 and name HB3) ( resid 39 and name HD21) 3.5 0.7 0.7 volume=81326789.250 peak=337 ppm1=3.010 ppm2=7.405 
assign ( resid 43 and name HG3) ( resid 43 and name HD3) 2.7 0.5 0.5 volume=313221721.000 peak=382 ppm1=1.904 ppm2=3.641 
assign ( resid 37 and name HD1#) ( resid 37 and name HB2) 2.9 0.6 0.6 volume=254356821.500 peak=459 ppm1=0.711 ppm2=1.274 
assign ( resid 9 and name HB2) ( resid 9 and name H) 3.4 0.7 0.7 volume=106481177.000 peak=316 ppm1=3.488 ppm2=9.088 
assign ( resid 18 and name HZ2) ( resid 12 and name HG2#) 4.0 0.8 0.8 volume=36629141.250 peak=955 ppm1=7.071 ppm2=1.180 
assign ( resid 44 and name HA) ( resid 45 and name H) 3.6 0.7 0.7 volume=71244140.500 peak=360 ppm1=4.354 ppm2=7.925 
assign ( resid 21 and name HB2) ( resid 21 and name H) 3.8 0.8 0.8 volume=54313776.375 peak=722 ppm1=3.304 ppm2=8.834 
assign ( resid 14 and name HG2#) ( resid 15 and name HA) 4.1 0.8 0.8 volume=32472750.938 peak=845 ppm1=1.139 ppm2=4.508 
assign ( resid 8 and name HB#) ( resid 27 and name HA) 3.8 0.8 0.8 volume=47509185.250 peak=288 ppm1=1.440 ppm2=5.744 
assign ( resid 29 and name HB3) ( resid 29 and name HD22) 3.8 0.8 0.8 volume=50635322.375 peak=569 ppm1=3.239 ppm2=7.629 
assign ( resid 44 and name HD1#) ( resid 42 and name HB3) 2.6 0.5 0.5 volume=511025195.000 peak=619 ppm1=0.852 ppm2=1.686 
assign ( resid 35 and name HE#) ( resid 39 and name HB2) 4.2 0.8 0.8 volume=29275785.938 peak=28 ppm1=6.708 ppm2=2.638 
assign ( resid 34 and name HE#) ( resid 38 and name HB3) 3.8 0.8 0.8 volume=47603788.625 peak=581 ppm1=6.579 ppm2=2.556 
assign ( resid 18 and name HA) ( resid 18 and name HB2) 3.1 0.6 0.6 volume=64060531.375 peak=779 ppm1=4.696 ppm2=3.148 
assign ( resid 6 and name HB2) ( resid 18 and name HZ3) 4.2 0.8 0.8 volume=25053699.250 peak=304 ppm1=2.515 ppm2=7.097 
assign ( resid 15 and name HB) ( resid 28 and name HB2) 3.8 0.8 0.8 volume=54274402.125 peak=827 ppm1=3.702 ppm2=2.495 
assign ( resid 36 and name HG2) ( resid 36 and name HE3) 3.4 0.7 0.7 volume=109184295.000 peak=502 ppm1=1.574 ppm2=3.009 
assign ( resid 6 and name HB3) ( resid 6 and name H) 3.6 0.7 0.7 volume=66882585.000 peak=306 ppm1=2.623 ppm2=7.890 
assign ( resid 37 and name HG) ( resid 37 and name HB2) 2.7 0.5 0.5 volume=327804894.000 peak=463 ppm1=1.109 ppm2=1.279 
assign ( resid 43 and name HA) ( resid 43 and name HB3) 2.6 0.5 0.5 volume=498050479.000 peak=368 ppm1=4.333 ppm2=2.216 
assign ( resid 39 and name HA) ( resid 35 and name HE#) 3.8 0.8 0.8 volume=26217226.062 peak=423 ppm1=3.451 ppm2=6.706 
assign ( resid 35 and name HA) ( resid 39 and name HA) 3.9 0.8 0.8 volume=46370867.625 peak=523 ppm1=4.384 ppm2=3.446 
assign ( resid 11 and name HB2) ( resid 11 and name H) 4.2 0.8 0.8 volume=29493281.250 peak=874 ppm1=2.477 ppm2=8.032 
assign ( resid 8 and name HA) ( resid 27 and name HA) 4.3 0.9 0.9 volume=19508459.312 peak=646 ppm1=4.183 ppm2=5.699 
assign ( resid 20 and name HB2) ( resid 21 and name H) 3.7 0.7 0.7 volume=55935171.875 peak=745 ppm1=1.588 ppm2=8.838 
assign ( resid 12 and name HG2#) ( resid 18 and name HZ3) 3.4 0.7 0.7 volume=106708609.500 peak=354 ppm1=1.191 ppm2=7.090 
assign ( resid 23 and name HB3) ( resid 23 and name HA) 2.9 0.6 0.6 volume=111419840.250 peak=700 ppm1=2.626 ppm2=4.717 
assign ( resid 37 and name HD2#) ( resid 38 and name HE1) 4.7 0.9 0.9 volume=15271024.219 peak=467 ppm1=0.637 ppm2=7.881 
assign ( resid 34 and name HD#) ( resid 35 and name H) 4.0 0.8 0.8 volume=39611149.625 peak=59 ppm1=7.320 ppm2=8.143 
assign ( resid 30 and name HB#) ( resid 29 and name HD21) 4.6 0.9 0.9 volume=16024176.750 peak=277 ppm1=1.532 ppm2=6.977 
assign ( resid 5 and name HG2#) ( resid 26 and name HG2) 3.5 0.7 0.7 volume=81263188.250 peak=672 ppm1=-0.108 ppm2=1.745 
assign ( resid 32 and name HA3) ( resid 27 and name HG2#) 4.2 0.8 0.8 volume=26974552.750 peak=120 ppm1=4.031 ppm2=1.099 
assign ( resid 6 and name HA) ( resid 6 and name H) 3.5 0.7 0.7 volume=86053171.250 peak=910 ppm1=5.096 ppm2=7.888 
assign ( resid 7 and name HB3) ( resid 27 and name HA) 3.9 0.8 0.8 volume=40748766.000 peak=181 ppm1=3.043 ppm2=5.740 
assign ( resid 10 and name HA) ( resid 10 and name HB2) 2.8 0.6 0.6 volume=320417096.000 peak=879 ppm1=4.926 ppm2=3.290 
assign ( resid 18 and name HD1) ( resid 18 and name H) 3.6 0.7 0.7 volume=73372046.250 peak=949 ppm1=7.227 ppm2=8.460 
assign ( resid 33 and name HB2) ( resid 33 and name HD2#) 2.4 0.5 0.5 volume=766225834.000 peak=615 ppm1=1.537 ppm2=0.865 
assign ( resid 34 and name HD#) ( resid 43 and name HD2) 4.2 0.8 0.8 volume=26805549.312 peak=67 ppm1=7.317 ppm2=2.921 
assign ( resid 22 and name HB#) ( resid 35 and name HD#) 4.4 0.9 0.9 volume=21980394.438 peak=719 ppm1=1.369 ppm2=6.886 
assign ( resid 27 and name HG1#) ( resid 25 and name HB2) 4.6 0.9 0.9 volume=15433574.375 peak=162 ppm1=0.698 ppm2=2.425 
assign ( resid 43 and name HD3) ( resid 43 and name HA) 3.8 0.8 0.8 volume=38255936.625 peak=131 ppm1=3.642 ppm2=4.331 
assign ( resid 20 and name HA) ( resid 20 and name H) 3.4 0.7 0.7 volume=103833571.750 peak=76 ppm1=5.312 ppm2=8.472 
assign ( resid 21 and name HB3) ( resid 27 and name HG1#) 3.5 0.7 0.7 volume=73129647.750 peak=1001 ppm1=2.750 ppm2=0.700 
assign ( resid 20 and name HD2) ( resid 24 and name HA3) 3.7 0.7 0.7 volume=53241243.750 peak=758 ppm1=3.029 ppm2=4.304 
assign ( resid 34 and name HD#) ( resid 42 and name HB3) 4.4 0.9 0.9 volume=22280023.750 peak=397 ppm1=7.320 ppm2=1.671 
assign ( resid 22 and name HA) ( resid 24 and name H) 3.9 0.8 0.8 volume=42717100.125 peak=714 ppm1=4.053 ppm2=8.168 
assign ( resid 18 and name HB2) ( resid 26 and name HB3) 4.2 0.8 0.8 volume=27961783.250 peak=787 ppm1=3.163 ppm2=1.784 
assign ( resid 37 and name HA) ( resid 36 and name H) 4.5 0.9 0.9 volume=18747771.469 peak=440 ppm1=4.023 ppm2=7.996 
assign ( resid 40 and name HG2#) ( resid 34 and name HD#) 4.5 0.9 0.9 volume=19241419.125 peak=260 ppm1=1.004 ppm2=7.346 
assign ( resid 36 and name HA) ( resid 38 and name H) 4.4 0.9 0.9 volume=22599133.000 peak=480 ppm1=4.005 ppm2=8.163 
assign ( resid 6 and name HB3) ( resid 6 and name HA) 3.0 0.6 0.6 volume=131200363.000 peak=302 ppm1=2.622 ppm2=5.097 
assign ( resid 10 and name HB3) ( resid 10 and name H) 3.7 0.7 0.7 volume=64796168.125 peak=171 ppm1=2.436 ppm2=8.780 
assign ( resid 25 and name HA) ( resid 26 and name HD3) 2.8 0.6 0.6 volume=128183075.500 peak=679 ppm1=4.954 ppm2=3.742 
assign ( resid 14 and name HG2#) ( resid 14 and name HA) 2.9 0.6 0.6 volume=67385980.250 peak=844 ppm1=1.141 ppm2=4.791 
assign ( resid 34 and name HE#) ( resid 43 and name HG3) 4.1 0.8 0.8 volume=33187026.250 peak=384 ppm1=6.578 ppm2=1.903 
assign ( resid 27 and name HG1#) ( resid 7 and name HA) 4.3 0.9 0.9 volume=23494098.312 peak=147 ppm1=0.689 ppm2=4.363 
assign ( resid 24 and name HA2) ( resid 25 and name H) 3.6 0.7 0.7 volume=66094805.625 peak=101 ppm1=3.532 ppm2=8.044 
assign ( resid 15 and name HB) ( resid 28 and name HA) 4.0 0.8 0.8 volume=36578236.750 peak=825 ppm1=3.702 ppm2=4.244 
assign ( resid 18 and name HE3) ( resid 18 and name HB3) 3.7 0.7 0.7 volume=57053601.000 peak=41 ppm1=7.292 ppm2=3.063 
assign ( resid 26 and name HA) ( resid 26 and name HB3) 2.9 0.6 0.6 volume=243072374.000 peak=84 ppm1=5.002 ppm2=1.761 
assign ( resid 35 and name HD#) ( resid 41 and name HB2) 4.2 0.8 0.8 volume=28621262.188 peak=540 ppm1=6.898 ppm2=2.663 
assign ( resid 33 and name HB3) ( resid 33 and name HD2#) 2.7 0.5 0.5 volume=418045821.000 peak=607 ppm1=1.795 ppm2=0.857 
assign ( resid 22 and name HB#) ( resid 24 and name H) 4.0 0.8 0.8 volume=36073560.688 peak=721 ppm1=1.368 ppm2=8.160 
assign ( resid 40 and name HG1#) ( resid 34 and name HD#) 3.7 0.7 0.7 volume=57196430.000 peak=245 ppm1=0.934 ppm2=7.318 
assign ( resid 12 and name HG2#) ( resid 7 and name HB2) 3.1 0.6 0.6 volume=133340129.500 peak=194 ppm1=1.192 ppm2=3.472 
assign ( resid 32 and name HA3) ( resid 36 and name H) 4.5 0.9 0.9 volume=18859169.875 peak=114 ppm1=4.019 ppm2=7.982 
assign ( resid 33 and name HB3) ( resid 33 and name HB2) 2.4 0.5 0.5 volume=766059804.000 peak=604 ppm1=1.794 ppm2=1.526 
assign ( resid 12 and name HG2#) ( resid 7 and name H) 3.6 0.7 0.7 volume=75017563.250 peak=838 ppm1=1.192 ppm2=8.915 
assign ( resid 26 and name HD3) ( resid 25 and name H) 4.5 0.9 0.9 volume=19370243.000 peak=689 ppm1=3.737 ppm2=8.046 
assign ( resid 33 and name HD2#) ( resid 33 and name HG) 2.5 0.5 0.5 volume=423363631.000 peak=616 ppm1=0.863 ppm2=1.700 
assign ( resid 34 and name HB2) ( resid 34 and name H) 2.9 0.6 0.6 volume=272731894.500 peak=570 ppm1=3.253 ppm2=7.914 
assign ( resid 42 and name HA) ( resid 43 and name HG3) 3.8 0.8 0.8 volume=49093214.250 peak=389 ppm1=3.159 ppm2=1.907 
assign ( resid 23 and name HA) ( resid 23 and name H) 3.1 0.6 0.6 volume=167984557.500 peak=695 ppm1=4.718 ppm2=7.559 
assign ( resid 20 and name HB3) ( resid 24 and name HA2) 3.9 0.8 0.8 volume=41178334.812 peak=741 ppm1=1.660 ppm2=3.542 
assign ( resid 35 and name HD#) ( resid 35 and name H) 3.9 0.8 0.8 volume=40780488.500 peak=547 ppm1=6.899 ppm2=8.145 
assign ( resid 39 and name HB3) ( resid 39 and name HD22) 4.0 0.8 0.8 volume=40414648.750 peak=342 ppm1=3.011 ppm2=6.759 
assign ( resid 36 and name HG3) ( resid 36 and name HE3) 3.3 0.7 0.7 volume=123092947.750 peak=503 ppm1=1.460 ppm2=3.010 
assign ( resid 27 and name HG1#) ( resid 32 and name H) 3.4 0.7 0.7 volume=107032238.000 peak=154 ppm1=0.697 ppm2=9.443 
assign ( resid 34 and name HD#) ( resid 42 and name H) 4.7 0.9 0.9 volume=14418740.781 peak=58 ppm1=7.317 ppm2=9.236 
assign ( resid 21 and name HB3) ( resid 21 and name HA) 2.9 0.6 0.6 volume=278275358.000 peak=734 ppm1=2.751 ppm2=4.713 
assign ( resid 27 and name HB) ( resid 27 and name HA) 3.1 0.6 0.6 volume=183561060.000 peak=7 ppm1=2.250 ppm2=5.741 
assign ( resid 39 and name HB2) ( resid 39 and name HA) 3.0 0.6 0.6 volume=160135178.000 peak=427 ppm1=2.627 ppm2=3.447 
assign ( resid 36 and name HA) ( resid 35 and name HB2) 4.0 0.8 0.8 volume=36360175.188 peak=487 ppm1=4.005 ppm2=3.221 
assign ( resid 25 and name HB3) ( resid 25 and name H) 3.3 0.7 0.7 volume=109789480.000 peak=331 ppm1=2.677 ppm2=8.042 
assign ( resid 18 and name HB2) ( resid 18 and name H) 3.4 0.7 0.7 volume=108153127.000 peak=783 ppm1=3.160 ppm2=8.460 
assign ( resid 35 and name HB2) ( resid 35 and name HE#) 3.4 0.7 0.7 volume=63857898.250 peak=528 ppm1=3.218 ppm2=6.711 
assign ( resid 5 and name HA) ( resid 5 and name HB) 3.6 0.7 0.7 volume=73413903.250 peak=924 ppm1=3.794 ppm2=3.297 
assign ( resid 20 and name HG2) ( resid 20 and name H) 3.5 0.7 0.7 volume=79225457.250 peak=746 ppm1=1.567 ppm2=8.461 
assign ( resid 31 and name HB3) ( resid 28 and name H) 4.0 0.8 0.8 volume=40544065.188 peak=199 ppm1=3.179 ppm2=9.835 
assign ( resid 37 and name HD1#) ( resid 33 and name HA) 3.9 0.8 0.8 volume=46757042.562 peak=473 ppm1=0.710 ppm2=4.106 
assign ( resid 40 and name HB) ( resid 35 and name HE#) 4.4 0.9 0.9 volume=21404694.438 peak=554 ppm1=2.212 ppm2=6.708 
assign ( resid 40 and name HB) ( resid 40 and name HA) 2.7 0.5 0.5 volume=406501063.000 peak=411 ppm1=2.210 ppm2=4.416 
assign ( resid 11 and name HA) ( resid 12 and name H) 3.9 0.8 0.8 volume=47242252.250 peak=864 ppm1=4.375 ppm2=8.577 
assign ( resid 27 and name HG2#) ( resid 27 and name H) 3.9 0.8 0.8 volume=44992074.125 peak=232 ppm1=1.110 ppm2=8.503 
assign ( resid 30 and name HA) ( resid 30 and name H) 3.1 0.6 0.6 volume=188395988.000 peak=632 ppm1=4.154 ppm2=8.271 
assign ( resid 12 and name HG2#) ( resid 18 and name HH2) 3.9 0.8 0.8 volume=46356878.625 peak=819 ppm1=1.192 ppm2=6.335 
assign ( resid 27 and name HA) ( resid 8 and name H) 3.3 0.7 0.7 volume=119300392.750 peak=2 ppm1=5.743 ppm2=9.473 
assign ( resid 35 and name HA) ( resid 35 and name HB2) 2.8 0.6 0.6 volume=196716698.500 peak=533 ppm1=4.384 ppm2=3.218 
assign ( resid 36 and name HD3) ( resid 36 and name HE3) 2.5 0.5 0.5 volume=598731847.000 peak=515 ppm1=1.678 ppm2=2.997 
assign ( resid 26 and name HD3) ( resid 8 and name HB#) 3.7 0.7 0.7 volume=57198570.875 peak=292 ppm1=3.739 ppm2=1.439 
assign ( resid 34 and name HA) ( resid 37 and name H) 4.0 0.8 0.8 volume=40437153.688 peak=558 ppm1=4.107 ppm2=7.569 
assign ( resid 9 and name HB3) ( resid 8 and name H) 4.5 0.9 0.9 volume=17783914.062 peak=321 ppm1=2.677 ppm2=9.464 
assign ( resid 26 and name HD3) ( resid 26 and name HG2) 3.1 0.6 0.6 volume=174192672.000 peak=683 ppm1=3.739 ppm2=1.737 
assign ( resid 26 and name HA) ( resid 26 and name HD3) 4.0 0.8 0.8 volume=35753967.625 peak=83 ppm1=5.010 ppm2=3.779 
assign ( resid 37 and name HD2#) ( resid 38 and name HD2) 4.5 0.9 0.9 volume=17440638.125 peak=238 ppm1=0.636 ppm2=5.492 
assign ( resid 34 and name HE#) ( resid 35 and name HA) 4.3 0.9 0.9 volume=25804441.375 peak=579 ppm1=6.579 ppm2=4.377 
assign ( resid 6 and name HB3) ( resid 7 and name H) 3.6 0.7 0.7 volume=69554345.500 peak=309 ppm1=2.621 ppm2=8.916 
assign ( resid 38 and name HD2) ( resid 37 and name HB3) 4.2 0.8 0.8 volume=24280862.125 peak=437 ppm1=5.496 ppm2=0.843 
assign ( resid 40 and name HA) ( resid 39 and name HB2) 3.8 0.8 0.8 volume=48655007.750 peak=410 ppm1=4.418 ppm2=2.635 
assign ( resid 18 and name HB2) ( resid 26 and name HB2) 4.1 0.8 0.8 volume=31488193.375 peak=788 ppm1=3.152 ppm2=1.602 
assign ( resid 41 and name HB2) ( resid 42 and name H) 4.0 0.8 0.8 volume=39386332.562 peak=403 ppm1=2.670 ppm2=9.247 
assign ( resid 37 and name HD1#) ( resid 37 and name HG) 2.7 0.5 0.5 volume=376706122.000 peak=462 ppm1=0.711 ppm2=1.108 
assign ( resid 40 and name HG1#) ( resid 40 and name H) 3.1 0.6 0.6 volume=161713921.500 peak=244 ppm1=0.934 ppm2=7.040 
assign ( resid 25 and name HA) ( resid 25 and name H) 3.2 0.6 0.6 volume=144495054.250 peak=88 ppm1=4.950 ppm2=8.050 
assign ( resid 32 and name HA3) ( resid 35 and name H) 4.6 0.9 0.9 volume=16026373.906 peak=113 ppm1=4.019 ppm2=8.137 
assign ( resid 28 and name HA) ( resid 18 and name HH2) 4.4 0.9 0.9 volume=20381361.062 peak=965 ppm1=4.256 ppm2=6.333 
assign ( resid 13 and name HG2#) ( resid 12 and name HA) 3.6 0.7 0.7 volume=47086387.062 peak=268 ppm1=1.330 ppm2=4.600 
assign ( resid 27 and name HG2#) ( resid 26 and name HA) 4.3 0.9 0.9 volume=24425225.969 peak=224 ppm1=1.111 ppm2=4.986 
assign ( resid 18 and name HZ3) ( resid 11 and name HA) 4.2 0.8 0.8 volume=28923267.250 peak=49 ppm1=7.100 ppm2=4.372 
assign ( resid 29 and name HA) ( resid 32 and name H) 3.9 0.8 0.8 volume=42385399.000 peak=587 ppm1=4.085 ppm2=9.426 
assign ( resid 9 and name HA) ( resid 9 and name H) 3.4 0.7 0.7 volume=98106808.000 peak=884 ppm1=5.001 ppm2=9.094 
assign ( resid 23 and name HB3) ( resid 22 and name HB#) 4.1 0.8 0.8 volume=31875996.500 peak=711 ppm1=2.627 ppm2=1.367 
assign ( resid 40 and name HA) ( resid 41 and name HD21) 3.6 0.7 0.7 volume=66503320.250 peak=408 ppm1=4.420 ppm2=6.913 
assign ( resid 40 and name HG1#) ( resid 40 and name HA) 3.1 0.6 0.6 volume=172739489.500 peak=247 ppm1=0.934 ppm2=4.410 
assign ( resid 18 and name HZ2) ( resid 7 and name H) 4.5 0.9 0.9 volume=18050096.750 peak=57 ppm1=7.071 ppm2=8.926 
assign ( resid 35 and name HA) ( resid 35 and name H) 3.2 0.6 0.6 volume=148225650.000 peak=519 ppm1=4.385 ppm2=8.153 
assign ( resid 30 and name HB#) ( resid 33 and name HB3) 4.1 0.8 0.8 volume=30870442.531 peak=275 ppm1=1.532 ppm2=1.811 
assign ( resid 7 and name HB2) ( resid 12 and name HB) 4.7 0.9 0.9 volume=14332479.688 peak=178 ppm1=3.465 ppm2=4.603 
assign ( resid 43 and name HB2) ( resid 43 and name HB3) 2.3 0.5 0.5 volume=1041681532.000 peak=370 ppm1=1.789 ppm2=2.214 
assign ( resid 7 and name HA) ( resid 28 and name H) 3.9 0.8 0.8 volume=45349099.625 peak=898 ppm1=4.367 ppm2=9.835 
assign ( resid 34 and name HA) ( resid 33 and name HB3) 4.5 0.9 0.9 volume=18493029.781 peak=565 ppm1=4.108 ppm2=1.784 
assign ( resid 37 and name HD2#) ( resid 37 and name HB2) 3.2 0.6 0.6 volume=147938733.500 peak=234 ppm1=0.637 ppm2=1.277 
assign ( resid 7 and name HB3) ( resid 6 and name HA) 3.8 0.8 0.8 volume=23655065.250 peak=180 ppm1=3.046 ppm2=5.097 
assign ( resid 28 and name HA) ( resid 28 and name H) 3.8 0.8 0.8 volume=52533616.375 peak=970 ppm1=4.253 ppm2=9.835 
assign ( resid 27 and name HB) ( resid 32 and name HA3) 4.1 0.8 0.8 volume=30627625.375 peak=650 ppm1=2.251 ppm2=4.043 
assign ( resid 36 and name HB3) ( resid 36 and name HG2) 3.0 0.6 0.6 volume=234337159.500 peak=510 ppm1=2.003 ppm2=1.560 
assign ( resid 34 and name HD#) ( resid 37 and name HD1#) 3.9 0.8 0.8 volume=41978238.750 peak=73 ppm1=7.317 ppm2=0.703 
assign ( resid 9 and name HA) ( resid 9 and name HB2) 3.2 0.6 0.6 volume=51564991.125 peak=314 ppm1=4.999 ppm2=3.493 
assign ( resid 20 and name HB3) ( resid 20 and name HD2) 3.3 0.7 0.7 volume=126874125.500 peak=738 ppm1=1.659 ppm2=3.027 
assign ( resid 26 and name HB2) ( resid 27 and name H) 4.0 0.8 0.8 volume=38144986.125 peak=659 ppm1=1.607 ppm2=8.498 
assign ( resid 17 and name HG) ( resid 29 and name HA) 4.3 0.9 0.9 volume=25266494.312 peak=799 ppm1=1.325 ppm2=4.102 
assign ( resid 12 and name HG2#) ( resid 12 and name H) 3.0 0.6 0.6 volume=220187257.500 peak=839 ppm1=1.191 ppm2=8.576 
assign ( resid 8 and name HB#) ( resid 9 and name H) 3.4 0.7 0.7 volume=103438838.500 peak=283 ppm1=1.440 ppm2=9.089 
assign ( resid 39 and name HB2) ( resid 39 and name H) 3.6 0.7 0.7 volume=65541559.125 peak=336 ppm1=2.626 ppm2=8.901 
assign ( resid 34 and name HE#) ( resid 43 and name HD2) 3.6 0.7 0.7 volume=66635344.125 peak=19 ppm1=6.577 ppm2=2.964 
assign ( resid 7 and name HA) ( resid 18 and name HH2) 3.5 0.7 0.7 volume=90628418.000 peak=900 ppm1=4.362 ppm2=6.337 
assign ( resid 18 and name HZ2) ( resid 18 and name HH2) 3.7 0.7 0.7 volume=62442756.875 peak=32 ppm1=7.072 ppm2=6.333 
assign ( resid 31 and name HB3) ( resid 9 and name HB3) 4.3 0.9 0.9 volume=25417162.500 peak=887 ppm1=3.184 ppm2=2.666 
assign ( resid 20 and name HB3) ( resid 20 and name HA) 3.4 0.7 0.7 volume=93433924.250 peak=743 ppm1=1.659 ppm2=5.313 
assign ( resid 32 and name HA3) ( resid 32 and name HA2) 2.6 0.5 0.5 volume=469485753.000 peak=107 ppm1=4.025 ppm2=3.566 
assign ( resid 20 and name HG2) ( resid 21 and name H) 4.0 0.8 0.8 volume=35286508.500 peak=747 ppm1=1.566 ppm2=8.843 
assign ( resid 18 and name HZ2) ( resid 13 and name HG2#) 4.3 0.9 0.9 volume=24444321.000 peak=954 ppm1=7.073 ppm2=1.337 
assign ( resid 44 and name HA) ( resid 44 and name H) 3.0 0.6 0.6 volume=217458067.500 peak=359 ppm1=4.357 ppm2=8.488 
assign ( resid 39 and name HB2) ( resid 39 and name HB3) 2.2 0.4 0.4 volume=1526049876.000 peak=346 ppm1=2.627 ppm2=3.010 
assign ( resid 40 and name HG2#) ( resid 40 and name HB) 2.4 0.5 0.5 volume=770701876.000 peak=417 ppm1=1.001 ppm2=2.210 
assign ( resid 10 and name HB2) ( resid 9 and name HD21) 4.7 0.9 0.9 volume=14079571.656 peak=170 ppm1=3.299 ppm2=7.740 
assign ( resid 31 and name HB2) ( resid 30 and name HB#) 4.4 0.9 0.9 volume=20958828.250 peak=209 ppm1=3.315 ppm2=1.528 
assign ( resid 19 and name HA) ( resid 19 and name H) 4.1 0.8 0.8 volume=33401331.125 peak=763 ppm1=4.679 ppm2=9.226 
assign ( resid 13 and name HG2#) ( resid 7 and name H) 4.2 0.8 0.8 volume=29840899.000 peak=262 ppm1=1.328 ppm2=8.920 
assign ( resid 23 and name HB2) ( resid 23 and name HD21) 3.2 0.6 0.6 volume=138651014.750 peak=705 ppm1=2.877 ppm2=8.033 
assign ( resid 18 and name HE3) ( resid 18 and name HB2) 3.7 0.7 0.7 volume=63941426.875 peak=40 ppm1=7.294 ppm2=3.161 
assign ( resid 28 and name HA) ( resid 29 and name H) 3.5 0.7 0.7 volume=85804301.000 peak=971 ppm1=4.249 ppm2=7.920 
assign ( resid 15 and name HB) ( resid 15 and name H) 4.3 0.9 0.9 volume=25872566.062 peak=826 ppm1=3.700 ppm2=7.933 
assign ( resid 28 and name HB2) ( resid 28 and name HA) 3.3 0.7 0.7 volume=120318412.000 peak=975 ppm1=2.492 ppm2=4.250 
assign ( resid 34 and name HB2) ( resid 35 and name H) 3.4 0.7 0.7 volume=101496498.250 peak=571 ppm1=3.255 ppm2=8.138 
assign ( resid 22 and name HB#) ( resid 22 and name HA) 2.3 0.5 0.5 volume=917721696.000 peak=716 ppm1=1.364 ppm2=4.053 
assign ( resid 34 and name HA) ( resid 33 and name HG) 4.6 0.9 0.9 volume=16078440.188 peak=564 ppm1=4.112 ppm2=1.669 
assign ( resid 39 and name HA) ( resid 40 and name H) 3.6 0.7 0.7 volume=71146566.875 peak=422 ppm1=3.447 ppm2=7.038 
assign ( resid 25 and name HB2) ( resid 8 and name HB#) 3.0 0.6 0.6 volume=176620811.500 peak=325 ppm1=2.394 ppm2=1.437 
assign ( resid 18 and name HZ3) ( resid 18 and name HH2) 3.4 0.7 0.7 volume=94910275.000 peak=46 ppm1=7.101 ppm2=6.332 
assign ( resid 11 and name HB3) ( resid 11 and name HA) 3.3 0.7 0.7 volume=126844196.250 peak=873 ppm1=2.348 ppm2=4.372 
assign ( resid 4 and name HA2) ( resid 5 and name H) 3.5 0.7 0.7 volume=79060026.000 peak=930 ppm1=3.894 ppm2=7.859 
assign ( resid 37 and name HG) ( resid 38 and name H) 4.5 0.9 0.9 volume=19679511.062 peak=466 ppm1=1.102 ppm2=8.178 
assign ( resid 27 and name HG1#) ( resid 21 and name H) 3.6 0.7 0.7 volume=75732350.000 peak=152 ppm1=0.697 ppm2=8.843 
assign ( resid 5 and name HG2#) ( resid 5 and name HA) 3.0 0.6 0.6 volume=198295547.000 peak=923 ppm1=-0.108 ppm2=3.796 
assign ( resid 32 and name HA2) ( resid 36 and name HD3) 4.3 0.9 0.9 volume=25869296.688 peak=118 ppm1=3.567 ppm2=1.671 
assign ( resid 29 and name HA) ( resid 29 and name HB2) 3.5 0.7 0.7 volume=87416724.500 peak=592 ppm1=4.079 ppm2=2.764 
assign ( resid 38 and name HD2) ( resid 37 and name HB2) 4.0 0.8 0.8 volume=36164122.500 peak=449 ppm1=5.489 ppm2=1.267 
assign ( resid 42 and name HB2) ( resid 9 and name HD21) 4.4 0.9 0.9 volume=20704273.000 peak=391 ppm1=1.166 ppm2=7.766 
assign ( resid 45 and name HG2#) ( resid 45 and name HB) 2.5 0.5 0.5 volume=615946081.000 peak=352 ppm1=1.161 ppm2=4.189 
assign ( resid 27 and name HG1#) ( resid 19 and name HB3) 3.1 0.6 0.6 volume=165125094.500 peak=160 ppm1=0.698 ppm2=1.392 
assign ( resid 38 and name HA) ( resid 38 and name HB2) 2.2 0.4 0.4 volume=1316049814.000 peak=432 ppm1=4.571 ppm2=3.002 
assign ( resid 36 and name HA) ( resid 36 and name HG3) 3.3 0.7 0.7 volume=114065993.250 peak=491 ppm1=4.003 ppm2=1.473 
assign ( resid 33 and name HD2#) ( resid 33 and name H) 3.8 0.8 0.8 volume=52121590.250 peak=614 ppm1=0.861 ppm2=8.894 
assign ( resid 24 and name HA3) ( resid 25 and name H) 3.6 0.7 0.7 volume=68284308.875 peak=102 ppm1=4.302 ppm2=8.044 
assign ( resid 29 and name HB3) ( resid 30 and name H) 3.7 0.7 0.7 volume=61744419.250 peak=572 ppm1=3.242 ppm2=8.269 
assign ( resid 31 and name HA) ( resid 33 and name H) 4.6 0.9 0.9 volume=17315529.781 peak=622 ppm1=4.049 ppm2=8.900 
assign ( resid 37 and name HB3) ( resid 37 and name HB2) 2.4 0.5 0.5 volume=747788988.000 peak=458 ppm1=0.844 ppm2=1.273 
assign ( resid 42 and name HB3) ( resid 43 and name HD3) 4.5 0.9 0.9 volume=17465483.625 peak=396 ppm1=1.672 ppm2=3.678 
assign ( resid 17 and name HD2#) ( resid 17 and name HG) 2.7 0.5 0.5 volume=341644459.000 peak=802 ppm1=0.771 ppm2=1.335 
assign ( resid 40 and name HG2#) ( resid 34 and name HE#) 3.6 0.7 0.7 volume=72019491.125 peak=258 ppm1=1.000 ppm2=6.579 
assign ( resid 36 and name HA) ( resid 36 and name H) 3.0 0.6 0.6 volume=199475110.000 peak=479 ppm1=4.003 ppm2=7.991 
assign ( resid 44 and name HD1#) ( resid 44 and name HG) 2.6 0.5 0.5 volume=509966342.000 peak=620 ppm1=0.843 ppm2=1.541 
assign ( resid 37 and name HA) ( resid 36 and name HB3) 3.8 0.8 0.8 volume=53524401.125 peak=442 ppm1=4.021 ppm2=2.012 
assign ( resid 2 and name HB3) ( resid 2 and name H) 4.3 0.9 0.9 volume=25143122.562 peak=945 ppm1=1.794 ppm2=8.358 
assign ( resid 15 and name HA) ( resid 15 and name H) 3.7 0.7 0.7 volume=56745578.750 peak=821 ppm1=4.484 ppm2=7.962 
assign ( resid 26 and name HB3) ( resid 26 and name HD2) 4.1 0.8 0.8 volume=34265962.375 peak=662 ppm1=1.778 ppm2=3.840 
assign ( resid 17 and name HD2#) ( resid 17 and name HB2) 2.6 0.5 0.5 volume=489458617.000 peak=801 ppm1=0.769 ppm2=1.439 
assign ( resid 43 and name HG3) ( resid 43 and name HA) 3.2 0.6 0.6 volume=147813406.500 peak=383 ppm1=1.906 ppm2=4.333 
assign ( resid 36 and name HG3) ( resid 36 and name H) 4.0 0.8 0.8 volume=37629070.625 peak=497 ppm1=1.460 ppm2=7.991 
assign ( resid 39 and name HB2) ( resid 39 and name HD22) 3.9 0.8 0.8 volume=46134399.250 peak=341 ppm1=2.627 ppm2=6.773 
assign ( resid 11 and name HA) ( resid 11 and name HG3) 2.8 0.6 0.6 volume=302920069.000 peak=869 ppm1=4.374 ppm2=2.284 
assign ( resid 27 and name HG2#) ( resid 21 and name HD21) 3.4 0.7 0.7 volume=98541688.750 peak=228 ppm1=1.112 ppm2=7.763 
assign ( resid 7 and name HB3) ( resid 8 and name H) 4.3 0.9 0.9 volume=23352547.312 peak=191 ppm1=3.048 ppm2=9.466 
assign ( resid 35 and name HD#) ( resid 39 and name HB3) 4.4 0.9 0.9 volume=21443786.375 peak=537 ppm1=6.902 ppm2=3.026 
assign ( resid 20 and name HB2) ( resid 20 and name HA) 2.8 0.6 0.6 volume=94134620.500 peak=744 ppm1=1.591 ppm2=5.314 
assign ( resid 6 and name HB3) ( resid 6 and name HB2) 2.2 0.4 0.4 volume=1496274168.000 peak=916 ppm1=2.622 ppm2=2.529 
assign ( resid 7 and name HB3) ( resid 28 and name H) 3.5 0.7 0.7 volume=78205912.625 peak=192 ppm1=3.043 ppm2=9.837 
assign ( resid 6 and name HB3) ( resid 18 and name HZ3) 4.5 0.9 0.9 volume=17582047.812 peak=305 ppm1=2.622 ppm2=7.093 
assign ( resid 36 and name HD2) ( resid 36 and name HB3) 3.2 0.6 0.6 volume=146876301.500 peak=516 ppm1=1.730 ppm2=2.003 
assign ( resid 43 and name HA) ( resid 43 and name HD2) 4.0 0.8 0.8 volume=35409199.875 peak=367 ppm1=4.338 ppm2=2.931 
assign ( resid 8 and name HA) ( resid 9 and name H) 3.7 0.7 0.7 volume=57694959.500 peak=892 ppm1=4.177 ppm2=9.090 
assign ( resid 36 and name HA) ( resid 35 and name HA) 3.9 0.8 0.8 volume=44133240.250 peak=522 ppm1=4.006 ppm2=4.415 
assign ( resid 18 and name HZ3) ( resid 7 and name H) 3.7 0.7 0.7 volume=59100251.375 peak=47 ppm1=7.100 ppm2=8.917 
assign ( resid 37 and name HA) ( resid 37 and name H) 3.0 0.6 0.6 volume=192838032.500 peak=441 ppm1=4.021 ppm2=7.562 
assign ( resid 7 and name HA) ( resid 18 and name HE3) 4.3 0.9 0.9 volume=23755760.125 peak=899 ppm1=4.371 ppm2=7.287 
assign ( resid 35 and name HD#) ( resid 41 and name H) 4.1 0.8 0.8 volume=30521332.812 peak=546 ppm1=6.897 ppm2=8.470 
assign ( resid 28 and name HA) ( resid 18 and name HA) 4.2 0.8 0.8 volume=27986124.938 peak=972 ppm1=4.254 ppm2=4.694 
assign ( resid 27 and name HG1#) ( resid 19 and name H) 4.4 0.9 0.9 volume=22526847.625 peak=153 ppm1=0.700 ppm2=9.225 
assign ( resid 13 and name HG2#) ( resid 4 and name HA2) 4.2 0.8 0.8 volume=27759345.938 peak=270 ppm1=1.331 ppm2=3.875 
assign ( resid 27 and name HG2#) ( resid 31 and name HA) 3.5 0.7 0.7 volume=79855970.500 peak=628 ppm1=1.111 ppm2=4.047 
assign ( resid 36 and name HA) ( resid 36 and name HE3) 4.3 0.9 0.9 volume=25517819.719 peak=486 ppm1=4.004 ppm2=3.010 
assign ( resid 25 and name HB2) ( resid 21 and name HD22) 3.3 0.7 0.7 volume=115745740.500 peak=330 ppm1=2.392 ppm2=7.876 
assign ( resid 10 and name HB3) ( resid 10 and name HA) 2.9 0.6 0.6 volume=247207755.000 peak=878 ppm1=2.433 ppm2=4.926 
assign ( resid 17 and name HG) ( resid 17 and name HD1#) 2.7 0.5 0.5 volume=384703862.000 peak=810 ppm1=1.329 ppm2=0.919 
assign ( resid 36 and name HA) ( resid 39 and name H) 4.7 0.9 0.9 volume=15194745.281 peak=481 ppm1=4.005 ppm2=8.896 
assign ( resid 28 and name HB3) ( resid 15 and name HB) 3.5 0.7 0.7 volume=68945307.125 peak=989 ppm1=3.032 ppm2=3.709 
assign ( resid 14 and name HB) ( resid 14 and name H) 3.4 0.7 0.7 volume=92566095.000 peak=852 ppm1=3.984 ppm2=8.325 
assign ( resid 31 and name HB2) ( resid 28 and name H) 4.0 0.8 0.8 volume=37099425.875 peak=198 ppm1=3.324 ppm2=9.841 
assign ( resid 37 and name HD1#) ( resid 38 and name HD2) 4.5 0.9 0.9 volume=19234337.750 peak=472 ppm1=0.709 ppm2=5.483 
assign ( resid 35 and name HE#) ( resid 40 and name H) 3.9 0.8 0.8 volume=47100495.375 peak=553 ppm1=6.708 ppm2=7.060 
assign ( resid 11 and name HG3) ( resid 11 and name HE21) 3.6 0.7 0.7 volume=73047417.625 peak=876 ppm1=2.292 ppm2=7.546 
assign ( resid 9 and name HA) ( resid 9 and name HB3) 2.9 0.6 0.6 volume=127032829.500 peak=315 ppm1=5.001 ppm2=2.671 
assign ( resid 26 and name HD2) ( resid 25 and name HA) 2.7 0.5 0.5 volume=137843525.000 peak=678 ppm1=3.835 ppm2=4.953 
assign ( resid 30 and name HA) ( resid 33 and name H) 3.9 0.8 0.8 volume=41289846.625 peak=631 ppm1=4.154 ppm2=8.899 
assign ( resid 8 and name HB#) ( resid 8 and name H) 2.8 0.6 0.6 volume=353889014.000 peak=282 ppm1=1.438 ppm2=9.478 
assign ( resid 18 and name HE3) ( resid 18 and name HH2) 3.7 0.7 0.7 volume=28117101.062 peak=31 ppm1=7.293 ppm2=6.334 
assign ( resid 35 and name HB2) ( resid 36 and name H) 3.2 0.6 0.6 volume=135019665.000 peak=532 ppm1=3.218 ppm2=7.984 
assign ( resid 26 and name HB2) ( resid 26 and name HA) 3.1 0.6 0.6 volume=63476760.875 peak=656 ppm1=1.603 ppm2=4.999 
assign ( resid 36 and name HD2) ( resid 36 and name HE3) 3.0 0.6 0.6 volume=200873866.500 peak=514 ppm1=1.734 ppm2=3.013 
assign ( resid 21 and name HB3) ( resid 21 and name HD21) 3.3 0.7 0.7 volume=131050503.500 peak=724 ppm1=2.751 ppm2=7.765 
assign ( resid 35 and name HA) ( resid 39 and name H) 3.7 0.7 0.7 volume=62442705.625 peak=521 ppm1=4.382 ppm2=8.899 
assign ( resid 39 and name HB3) ( resid 40 and name HG2#) 3.8 0.8 0.8 volume=51010263.000 peak=347 ppm1=3.010 ppm2=0.983 
assign ( resid 12 and name HG2#) ( resid 11 and name H) 4.0 0.8 0.8 volume=36839398.375 peak=836 ppm1=1.189 ppm2=8.008 
assign ( resid 35 and name HA) ( resid 38 and name HB3) 4.3 0.9 0.9 volume=25904025.688 peak=526 ppm1=4.385 ppm2=2.569 
assign ( resid 43 and name HD2) ( resid 40 and name HG1#) 4.4 0.9 0.9 volume=21951189.656 peak=142 ppm1=2.950 ppm2=0.945 
assign ( resid 34 and name HD#) ( resid 40 and name H) 4.6 0.9 0.9 volume=17057540.812 peak=578 ppm1=7.323 ppm2=7.035 
assign ( resid 34 and name HB2) ( resid 33 and name H) 4.3 0.9 0.9 volume=24949539.500 peak=573 ppm1=3.256 ppm2=8.901 
assign ( resid 38 and name HD2) ( resid 38 and name H) 4.3 0.9 0.9 volume=24437193.750 peak=435 ppm1=5.493 ppm2=8.167 
assign ( resid 42 and name HB2) ( resid 9 and name HD22) 4.6 0.9 0.9 volume=15426773.594 peak=392 ppm1=1.166 ppm2=8.899 
assign ( resid 8 and name HB#) ( resid 9 and name HA) 3.7 0.7 0.7 volume=32608620.188 peak=289 ppm1=1.433 ppm2=4.982 
assign ( resid 41 and name HB2) ( resid 41 and name H) 3.0 0.6 0.6 volume=196363075.500 peak=402 ppm1=2.670 ppm2=8.475 
assign ( resid 16 and name HA) ( resid 17 and name HA) 4.3 0.9 0.9 volume=24937120.781 peak=813 ppm1=4.129 ppm2=4.323 
assign ( resid 15 and name HA) ( resid 12 and name HG2#) 3.6 0.7 0.7 volume=74456008.250 peak=823 ppm1=4.487 ppm2=1.171 
assign ( resid 40 and name HG1#) ( resid 39 and name H) 4.6 0.9 0.9 volume=16779268.812 peak=240 ppm1=0.935 ppm2=8.886 
assign ( resid 25 and name HB2) ( resid 21 and name H) 4.6 0.9 0.9 volume=15802874.562 peak=694 ppm1=2.394 ppm2=8.817 
assign ( resid 7 and name HB3) ( resid 18 and name HH2) 3.6 0.7 0.7 volume=75022667.500 peak=193 ppm1=3.045 ppm2=6.330 
assign ( resid 32 and name HA2) ( resid 32 and name H) 3.2 0.6 0.6 volume=153369756.000 peak=112 ppm1=3.567 ppm2=9.442 
assign ( resid 26 and name HB2) ( resid 26 and name HB3) 2.5 0.5 0.5 volume=635876986.000 peak=664 ppm1=1.606 ppm2=1.764 
assign ( resid 26 and name HB2) ( resid 26 and name HD2) 3.8 0.8 0.8 volume=51396745.750 peak=688 ppm1=1.606 ppm2=3.846 
assign ( resid 42 and name HA) ( resid 43 and name HD2) 3.1 0.6 0.6 volume=124695044.750 peak=388 ppm1=3.157 ppm2=2.951 
assign ( resid 33 and name HA) ( resid 33 and name H) 3.2 0.6 0.6 volume=132982663.500 peak=586 ppm1=4.101 ppm2=8.894 
assign ( resid 5 and name HA) ( resid 5 and name H) 2.6 0.5 0.5 volume=477857677.000 peak=918 ppm1=3.794 ppm2=7.892 
assign ( resid 23 and name HB2) ( resid 22 and name HB#) 4.2 0.8 0.8 volume=28586261.312 peak=710 ppm1=2.876 ppm2=1.360 
assign ( resid 35 and name HD#) ( resid 35 and name HB2) 2.9 0.6 0.6 volume=286993802.000 peak=539 ppm1=6.900 ppm2=3.216 
assign ( resid 31 and name HB2) ( resid 9 and name HB2) 3.9 0.8 0.8 volume=43547448.000 peak=885 ppm1=3.321 ppm2=3.493 
assign ( resid 40 and name HA) ( resid 40 and name H) 3.4 0.7 0.7 volume=97592589.000 peak=407 ppm1=4.418 ppm2=7.046 
assign ( resid 19 and name HB3) ( resid 19 and name H) 4.1 0.8 0.8 volume=31768851.000 peak=765 ppm1=1.370 ppm2=9.224 
assign ( resid 30 and name HB#) ( resid 42 and name HB2) 4.6 0.9 0.9 volume=16196741.438 peak=274 ppm1=1.535 ppm2=1.152 
assign ( resid 25 and name HA) ( resid 25 and name HB2) 3.2 0.6 0.6 volume=46169745.875 peak=328 ppm1=4.950 ppm2=2.390 
assign ( resid 11 and name HA) ( resid 7 and name HB3) 4.2 0.8 0.8 volume=29615222.750 peak=867 ppm1=4.372 ppm2=3.049 
assign ( resid 39 and name HA) ( resid 39 and name HB3) 3.0 0.6 0.6 volume=191732928.500 peak=426 ppm1=3.448 ppm2=3.011 
assign ( resid 31 and name HB3) ( resid 31 and name HA) 3.0 0.6 0.6 volume=196417214.500 peak=626 ppm1=3.178 ppm2=4.047 
assign ( resid 20 and name HG3) ( resid 21 and name H) 4.2 0.8 0.8 volume=27778178.625 peak=751 ppm1=1.476 ppm2=8.836 
assign ( resid 34 and name HD#) ( resid 34 and name HE#) 2.7 0.5 0.5 volume=437948002.000 peak=20 ppm1=7.318 ppm2=6.576 
assign ( resid 26 and name HG2) ( resid 18 and name HE3) 4.4 0.9 0.9 volume=20966766.812 peak=969 ppm1=1.725 ppm2=7.260 
assign ( resid 27 and name HB) ( resid 9 and name HB2) 4.2 0.8 0.8 volume=29201870.375 peak=649 ppm1=2.251 ppm2=3.507 
assign ( resid 8 and name HB#) ( resid 26 and name HG3) 4.1 0.8 0.8 volume=30360486.062 peak=297 ppm1=1.441 ppm2=2.132 
assign ( resid 28 and name HA) ( resid 29 and name HB3) 4.3 0.9 0.9 volume=26029748.250 peak=973 ppm1=4.248 ppm2=3.220 
assign ( resid 19 and name HG2) ( resid 19 and name HD2) 3.3 0.7 0.7 volume=115856637.250 peak=770 ppm1=1.318 ppm2=3.268 
assign ( resid 34 and name HD#) ( resid 38 and name HB2) 4.2 0.8 0.8 volume=28427203.875 peak=66 ppm1=7.320 ppm2=3.000 
assign ( resid 21 and name HA) ( resid 21 and name H) 3.6 0.7 0.7 volume=70931680.000 peak=737 ppm1=4.716 ppm2=8.834 
assign ( resid 43 and name HD2) ( resid 43 and name HD3) 2.6 0.5 0.5 volume=473667983.000 peak=130 ppm1=2.949 ppm2=3.643 
assign ( resid 27 and name HG2#) ( resid 21 and name H) 3.6 0.7 0.7 volume=66352668.250 peak=231 ppm1=1.111 ppm2=8.830 
assign ( resid 30 and name HB#) ( resid 31 and name H) 3.1 0.6 0.6 volume=190131380.500 peak=281 ppm1=1.532 ppm2=9.394 
assign ( resid 39 and name HB3) ( resid 39 and name H) 3.8 0.8 0.8 volume=53222640.250 peak=335 ppm1=3.011 ppm2=8.901 
assign ( resid 7 and name HB2) ( resid 12 and name H) 3.5 0.7 0.7 volume=86268669.000 peak=184 ppm1=3.473 ppm2=8.576 
assign ( resid 35 and name HE#) ( resid 41 and name HD22) 4.7 0.9 0.9 volume=14802024.375 peak=30 ppm1=6.716 ppm2=7.721 
assign ( resid 14 and name HG2#) ( resid 14 and name HB) 2.5 0.5 0.5 volume=565890060.000 peak=854 ppm1=1.143 ppm2=3.984 
assign ( resid 44 and name HD1#) ( resid 45 and name H) 4.1 0.8 0.8 volume=30354362.812 peak=618 ppm1=0.849 ppm2=7.944 
assign ( resid 22 and name HB#) ( resid 23 and name H) 3.3 0.7 0.7 volume=121185248.500 peak=720 ppm1=1.367 ppm2=7.554 
assign ( resid 34 and name HE#) ( resid 34 and name HA) 4.3 0.9 0.9 volume=23998181.594 peak=557 ppm1=6.582 ppm2=4.114 
assign ( resid 27 and name HG2#) ( resid 21 and name HD22) 3.7 0.7 0.7 volume=62501756.875 peak=227 ppm1=1.112 ppm2=7.866 
assign ( resid 43 and name HD2) ( resid 42 and name H) 4.5 0.9 0.9 volume=18004124.344 peak=138 ppm1=2.943 ppm2=9.241 
assign ( resid 37 and name HD2#) ( resid 37 and name H) 3.7 0.7 0.7 volume=58299654.375 peak=237 ppm1=0.636 ppm2=7.560 
assign ( resid 30 and name HB#) ( resid 30 and name HA) 2.3 0.5 0.5 volume=998379330.000 peak=636 ppm1=1.533 ppm2=4.152 
assign ( resid 8 and name HB#) ( resid 21 and name HD21) 3.2 0.6 0.6 volume=148101717.000 peak=287 ppm1=1.438 ppm2=7.775 
assign ( resid 19 and name HA) ( resid 20 and name H) 3.2 0.6 0.6 volume=153210044.000 peak=762 ppm1=4.682 ppm2=8.449 
assign ( resid 2 and name HA) ( resid 2 and name HB3) 2.4 0.5 0.5 volume=872081090.000 peak=933 ppm1=4.279 ppm2=1.795 
assign ( resid 23 and name HB2) ( resid 24 and name H) 4.0 0.8 0.8 volume=35274248.688 peak=704 ppm1=2.880 ppm2=8.178 
assign ( resid 44 and name HD2#) ( resid 43 and name HB2) 4.2 0.8 0.8 volume=29840377.125 peak=979 ppm1=0.788 ppm2=2.136 
assign ( resid 34 and name HD#) ( resid 37 and name HB2) 4.4 0.9 0.9 volume=21399737.750 peak=70 ppm1=7.320 ppm2=1.298 
assign ( resid 40 and name HG1#) ( resid 41 and name H) 3.3 0.7 0.7 volume=113156437.250 peak=241 ppm1=0.935 ppm2=8.472 
assign ( resid 5 and name HG2#) ( resid 26 and name HB2) 3.4 0.7 0.7 volume=95641716.000 peak=665 ppm1=-0.112 ppm2=1.604 
assign ( resid 12 and name HA) ( resid 13 and name H) 2.8 0.6 0.6 volume=339706204.000 peak=1004 ppm1=4.591 ppm2=8.301 
assign ( resid 27 and name HG1#) ( resid 26 and name HA) 3.5 0.7 0.7 volume=91153151.250 peak=86 ppm1=0.700 ppm2=5.005 
assign ( resid 34 and name HA) ( resid 33 and name HB2) 4.2 0.8 0.8 volume=28293444.938 peak=563 ppm1=4.115 ppm2=1.506 
assign ( resid 39 and name HA) ( resid 39 and name H) 3.1 0.6 0.6 volume=184911211.000 peak=421 ppm1=3.448 ppm2=8.902 
assign ( resid 13 and name HG2#) ( resid 13 and name HA) 2.8 0.6 0.6 volume=254500825.000 peak=266 ppm1=1.330 ppm2=5.154 
assign ( resid 7 and name HA) ( resid 27 and name HG2#) 3.6 0.7 0.7 volume=62807725.875 peak=221 ppm1=4.368 ppm2=1.129 
assign ( resid 27 and name HG2#) ( resid 21 and name HA) 3.9 0.8 0.8 volume=45419072.812 peak=735 ppm1=1.112 ppm2=4.697 
assign ( resid 8 and name HB#) ( resid 27 and name HB) 3.8 0.8 0.8 volume=50225810.250 peak=296 ppm1=1.439 ppm2=2.259 
assign ( resid 37 and name HG) ( resid 38 and name HD2) 4.7 0.9 0.9 volume=14699108.781 peak=465 ppm1=1.116 ppm2=5.481 
assign ( resid 42 and name HA) ( resid 43 and name HD3) 2.9 0.6 0.6 volume=155164655.500 peak=387 ppm1=3.155 ppm2=3.645 
assign ( resid 16 and name HA) ( resid 16 and name HG2#) 2.6 0.5 0.5 volume=543346169.000 peak=814 ppm1=4.132 ppm2=1.233 
assign ( resid 5 and name HA) ( resid 2 and name HB2) 4.4 0.9 0.9 volume=21667717.812 peak=922 ppm1=3.793 ppm2=1.739 
assign ( resid 7 and name HA) ( resid 7 and name HB2) 3.3 0.7 0.7 volume=115909283.750 peak=177 ppm1=4.367 ppm2=3.472 
assign ( resid 28 and name HB2) ( resid 28 and name H) 3.7 0.7 0.7 volume=58678667.875 peak=433 ppm1=2.492 ppm2=9.839 
assign ( resid 17 and name HB2) ( resid 29 and name HB2) 3.4 0.7 0.7 volume=49032893.250 peak=796 ppm1=1.434 ppm2=2.765 
assign ( resid 43 and name HB2) ( resid 43 and name HA) 2.8 0.6 0.6 volume=314168451.000 peak=369 ppm1=1.787 ppm2=4.336 
assign ( resid 24 and name HA2) ( resid 20 and name HA) 4.6 0.9 0.9 volume=15452936.344 peak=96 ppm1=3.528 ppm2=5.312 
assign ( resid 40 and name HG1#) ( resid 40 and name HB) 2.6 0.5 0.5 volume=543020623.000 peak=251 ppm1=0.934 ppm2=2.208 
assign ( resid 11 and name HB3) ( resid 6 and name HB3) 4.8 1.0 1.0 volume=13378685.266 peak=871 ppm1=2.358 ppm2=2.648 
assign ( resid 29 and name HA) ( resid 29 and name HB3) 3.2 0.6 0.6 volume=156145738.000 peak=591 ppm1=4.081 ppm2=3.263 
assign ( resid 35 and name HB2) ( resid 40 and name H) 4.1 0.8 0.8 volume=34597740.562 peak=530 ppm1=3.219 ppm2=7.033 
assign ( resid 37 and name HB2) ( resid 34 and name HA) 3.3 0.7 0.7 volume=118765825.250 peak=448 ppm1=1.274 ppm2=4.098 
assign ( resid 5 and name HA) ( resid 6 and name HA) 4.4 0.9 0.9 volume=20594865.688 peak=919 ppm1=3.793 ppm2=5.095 
assign ( resid 32 and name HA3) ( resid 35 and name HB2) 3.4 0.7 0.7 volume=94795501.500 peak=534 ppm1=4.028 ppm2=3.222 
assign ( resid 36 and name HG2) ( resid 36 and name HG3) 2.2 0.4 0.4 volume=1131734810.000 peak=509 ppm1=1.571 ppm2=1.462 
assign ( resid 45 and name HB) ( resid 45 and name H) 4.3 0.9 0.9 volume=25558081.812 peak=353 ppm1=4.180 ppm2=7.938 
assign ( resid 45 and name HA) ( resid 46 and name H) 3.9 0.8 0.8 volume=41590499.375 peak=351 ppm1=4.281 ppm2=8.368 
assign ( resid 4 and name HA2) ( resid 3 and name HB#) 3.9 0.8 0.8 volume=37937918.125 peak=932 ppm1=3.883 ppm2=1.357 
assign ( resid 17 and name HG) ( resid 17 and name H) 4.6 0.9 0.9 volume=17319990.781 peak=767 ppm1=1.328 ppm2=7.000 
assign ( resid 26 and name HG3) ( resid 8 and name H) 4.8 1.0 1.0 volume=12713277.984 peak=677 ppm1=2.145 ppm2=9.475 
assign ( resid 38 and name HA) ( resid 39 and name H) 3.7 0.7 0.7 volume=58649263.000 peak=431 ppm1=4.570 ppm2=8.896 
assign ( resid 20 and name HD2) ( resid 21 and name H) 4.1 0.8 0.8 volume=34805448.875 peak=756 ppm1=3.029 ppm2=8.837 
assign ( resid 23 and name HB2) ( resid 23 and name HA) 2.7 0.5 0.5 volume=139662545.500 peak=699 ppm1=2.877 ppm2=4.718 
assign ( resid 37 and name HB3) ( resid 38 and name H) 3.7 0.7 0.7 volume=63303164.375 peak=454 ppm1=0.844 ppm2=8.179 
assign ( resid 42 and name HB3) ( resid 34 and name HB2) 3.4 0.7 0.7 volume=97405749.750 peak=395 ppm1=1.671 ppm2=3.261 
assign ( resid 24 and name HA2) ( resid 20 and name HB2) 3.3 0.7 0.7 volume=114602404.250 peak=105 ppm1=3.529 ppm2=1.593 
assign ( resid 18 and name HB2) ( resid 18 and name HD1) 3.3 0.7 0.7 volume=77881622.750 peak=952 ppm1=3.160 ppm2=7.248 
assign ( resid 28 and name HA) ( resid 28 and name HB3) 3.2 0.6 0.6 volume=157801828.000 peak=974 ppm1=4.249 ppm2=3.038 
assign ( resid 40 and name HG2#) ( resid 35 and name HD#) 4.5 0.9 0.9 volume=17708420.312 peak=257 ppm1=1.001 ppm2=6.894 
assign ( resid 36 and name HA) ( resid 37 and name H) 3.6 0.7 0.7 volume=74369238.375 peak=478 ppm1=4.002 ppm2=7.563 
assign ( resid 40 and name HB) ( resid 35 and name HD#) 4.7 0.9 0.9 volume=13174940.047 peak=416 ppm1=2.212 ppm2=6.894 
assign ( resid 40 and name HA) ( resid 35 and name HE#) 3.1 0.6 0.6 volume=110750532.250 peak=409 ppm1=4.417 ppm2=6.706 
assign ( resid 14 and name HG2#) ( resid 13 and name HA) 4.8 1.0 1.0 volume=13204456.188 peak=843 ppm1=1.144 ppm2=5.148 
assign ( resid 36 and name HG2) ( resid 36 and name H) 4.0 0.8 0.8 volume=39448885.750 peak=496 ppm1=1.572 ppm2=7.990 
assign ( resid 31 and name HA) ( resid 27 and name HG1#) 3.8 0.8 0.8 volume=47634592.625 peak=629 ppm1=4.049 ppm2=0.701 
assign ( resid 39 and name HB2) ( resid 40 and name H) 4.3 0.9 0.9 volume=23691063.500 peak=340 ppm1=2.630 ppm2=7.047 
assign ( resid 17 and name HD1#) ( resid 29 and name HB3) 4.2 0.8 0.8 volume=26516902.750 peak=808 ppm1=0.921 ppm2=3.237 
assign ( resid 7 and name HB2) ( resid 8 and name H) 4.5 0.9 0.9 volume=18667618.812 peak=190 ppm1=3.480 ppm2=9.470 
assign ( resid 41 and name HA) ( resid 42 and name H) 3.2 0.6 0.6 volume=141298368.250 peak=401 ppm1=5.009 ppm2=9.239 
assign ( resid 43 and name HB2) ( resid 43 and name HD3) 3.6 0.7 0.7 volume=71600695.500 peak=375 ppm1=1.786 ppm2=3.647 
assign ( resid 17 and name HD1#) ( resid 17 and name H) 4.4 0.9 0.9 volume=22749690.812 peak=806 ppm1=0.922 ppm2=6.991 
assign ( resid 22 and name HB#) ( resid 21 and name HB2) 4.0 0.8 0.8 volume=36759108.625 peak=715 ppm1=1.368 ppm2=3.297 
assign ( resid 13 and name HG2#) ( resid 18 and name HZ3) 3.8 0.8 0.8 volume=30498271.000 peak=958 ppm1=1.330 ppm2=7.081 
assign ( resid 44 and name HD2#) ( resid 44 and name HB2) 2.7 0.5 0.5 volume=401742163.000 peak=980 ppm1=0.789 ppm2=1.515 
assign ( resid 21 and name HB2) ( resid 21 and name HD21) 3.3 0.7 0.7 volume=114631643.750 peak=725 ppm1=3.304 ppm2=7.768 
assign ( resid 43 and name HA) ( resid 44 and name H) 2.5 0.5 0.5 volume=603606076.000 peak=365 ppm1=4.333 ppm2=8.490 
assign ( resid 10 and name HB3) ( resid 44 and name HD1#) 3.7 0.7 0.7 volume=58787152.000 peak=175 ppm1=2.436 ppm2=0.890 
assign ( resid 25 and name HB3) ( resid 8 and name HB#) 2.8 0.6 0.6 volume=231931478.500 peak=324 ppm1=2.677 ppm2=1.437 
assign ( resid 11 and name HA) ( resid 11 and name HB2) 3.0 0.6 0.6 volume=118980491.500 peak=872 ppm1=4.375 ppm2=2.482 
assign ( resid 35 and name HD#) ( resid 40 and name H) 3.7 0.7 0.7 volume=63387755.500 peak=545 ppm1=6.902 ppm2=7.052 
assign ( resid 5 and name HG2#) ( resid 26 and name HG3) 3.4 0.7 0.7 volume=105782562.000 peak=671 ppm1=-0.107 ppm2=2.142 
assign ( resid 12 and name HG2#) ( resid 28 and name HB2) 2.9 0.6 0.6 volume=155814332.250 peak=986 ppm1=1.191 ppm2=2.489 
assign ( resid 37 and name HB2) ( resid 37 and name HA) 2.9 0.6 0.6 volume=235201301.500 peak=446 ppm1=1.274 ppm2=4.025 
assign ( resid 12 and name HA) ( resid 12 and name H) 3.2 0.6 0.6 volume=141740193.750 peak=1003 ppm1=4.592 ppm2=8.565 
assign ( resid 36 and name HA) ( resid 39 and name HA) 4.6 0.9 0.9 volume=15528455.312 peak=485 ppm1=4.005 ppm2=3.413 
assign ( resid 25 and name HB2) ( resid 25 and name H) 3.3 0.7 0.7 volume=124101804.500 peak=329 ppm1=2.393 ppm2=8.042 
assign ( resid 21 and name HB3) ( resid 21 and name HD22) 3.5 0.7 0.7 volume=91141957.250 peak=726 ppm1=2.749 ppm2=7.886 
assign ( resid 13 and name HA) ( resid 18 and name HZ2) 3.1 0.6 0.6 volume=177254908.000 peak=856 ppm1=5.172 ppm2=7.086 
assign ( resid 11 and name HG3) ( resid 11 and name HE22) 4.3 0.9 0.9 volume=26115914.500 peak=877 ppm1=2.292 ppm2=6.907 
assign ( resid 31 and name HB3) ( resid 31 and name H) 3.2 0.6 0.6 volume=139591611.000 peak=197 ppm1=3.178 ppm2=9.404 
assign ( resid 37 and name HD1#) ( resid 38 and name H) 4.5 0.9 0.9 volume=19654112.500 peak=470 ppm1=0.712 ppm2=8.166 
assign ( resid 2 and name HB3) ( resid 3 and name H) 3.9 0.8 0.8 volume=43719678.125 peak=943 ppm1=1.796 ppm2=8.457 
assign ( resid 5 and name HB) ( resid 5 and name H) 3.6 0.7 0.7 volume=69885633.750 peak=926 ppm1=3.296 ppm2=7.868 
assign ( resid 17 and name HG) ( resid 17 and name HA) 3.4 0.7 0.7 volume=94062593.500 peak=768 ppm1=1.327 ppm2=4.326 
assign ( resid 43 and name HB3) ( resid 43 and name HD3) 3.6 0.7 0.7 volume=70251393.000 peak=374 ppm1=2.216 ppm2=3.644 
assign ( resid 36 and name HB3) ( resid 36 and name HA) 2.5 0.5 0.5 volume=555680070.000 peak=490 ppm1=2.006 ppm2=4.021 
assign ( resid 8 and name HA) ( resid 21 and name HD21) 4.5 0.9 0.9 volume=17671046.438 peak=891 ppm1=4.174 ppm2=7.754 
assign ( resid 7 and name HA) ( resid 7 and name H) 3.8 0.8 0.8 volume=53523917.625 peak=896 ppm1=4.363 ppm2=8.919 
assign ( resid 35 and name HB2) ( resid 35 and name H) 3.0 0.6 0.6 volume=215222580.500 peak=531 ppm1=3.217 ppm2=8.141 
assign ( resid 6 and name HB2) ( resid 5 and name HA) 4.3 0.9 0.9 volume=21976927.500 peak=921 ppm1=2.514 ppm2=3.786 
assign ( resid 6 and name HA) ( resid 7 and name H) 3.0 0.6 0.6 volume=228950742.000 peak=911 ppm1=5.095 ppm2=8.917 
assign ( resid 36 and name HB3) ( resid 33 and name H) 4.4 0.9 0.9 volume=22211281.062 peak=513 ppm1=2.002 ppm2=8.899 
assign ( resid 31 and name HB3) ( resid 9 and name HB2) 4.1 0.8 0.8 volume=34995108.125 peak=204 ppm1=3.178 ppm2=3.504 
assign ( resid 9 and name HB3) ( resid 9 and name H) 3.3 0.7 0.7 volume=128555582.250 peak=319 ppm1=2.673 ppm2=9.090 
assign ( resid 43 and name HD2) ( resid 42 and name HB2) 4.3 0.9 0.9 volume=23293263.969 peak=140 ppm1=2.949 ppm2=1.145 
assign ( resid 34 and name HB2) ( resid 37 and name HD1#) 3.8 0.8 0.8 volume=47973539.125 peak=577 ppm1=3.255 ppm2=0.714 
assign ( resid 15 and name HB) ( resid 15 and name HA) 3.2 0.6 0.6 volume=132810286.000 peak=822 ppm1=3.697 ppm2=4.480 
assign ( resid 7 and name HB3) ( resid 18 and name HE3) 4.1 0.8 0.8 volume=33071778.375 peak=434 ppm1=3.050 ppm2=7.308 
assign ( resid 21 and name HB2) ( resid 27 and name HG1#) 3.8 0.8 0.8 volume=51374312.500 peak=1000 ppm1=3.304 ppm2=0.696 
assign ( resid 28 and name HA) ( resid 18 and name HE3) 4.0 0.8 0.8 volume=33054366.812 peak=966 ppm1=4.252 ppm2=7.286 
assign ( resid 34 and name HD#) ( resid 35 and name HA) 3.7 0.7 0.7 volume=62603262.875 peak=518 ppm1=7.320 ppm2=4.379 
assign ( resid 25 and name HB2) ( resid 21 and name HD21) 3.6 0.7 0.7 volume=73187575.500 peak=333 ppm1=2.393 ppm2=7.771 
assign ( resid 23 and name HB2) ( resid 21 and name HD22) 4.1 0.8 0.8 volume=33083357.500 peak=706 ppm1=2.877 ppm2=7.864 
assign ( resid 13 and name HG2#) ( resid 13 and name H) 3.2 0.6 0.6 volume=131893719.000 peak=263 ppm1=1.331 ppm2=8.300 
assign ( resid 40 and name HG1#) ( resid 38 and name H) 4.3 0.9 0.9 volume=23474549.750 peak=242 ppm1=0.934 ppm2=8.167 
assign ( resid 17 and name HD1#) ( resid 16 and name HB) 4.4 0.9 0.9 volume=22169925.250 peak=807 ppm1=0.916 ppm2=4.135 
assign ( resid 18 and name HB3) ( resid 18 and name H) 3.3 0.7 0.7 volume=110857940.500 peak=784 ppm1=3.048 ppm2=8.458 
assign ( resid 30 and name HA) ( resid 31 and name H) 3.7 0.7 0.7 volume=56296536.000 peak=630 ppm1=4.152 ppm2=9.404 
assign ( resid 29 and name HB2) ( resid 30 and name H) 3.4 0.7 0.7 volume=108894594.750 peak=642 ppm1=2.767 ppm2=8.271 
assign ( resid 36 and name HG3) ( resid 36 and name HB3) 2.9 0.6 0.6 volume=241458247.000 peak=505 ppm1=1.461 ppm2=2.006 
assign ( resid 17 and name HB2) ( resid 17 and name HD1#) 2.7 0.5 0.5 volume=377585177.000 peak=809 ppm1=1.443 ppm2=0.920 
assign ( resid 23 and name HB3) ( resid 23 and name HD21) 3.2 0.6 0.6 volume=145535565.250 peak=709 ppm1=2.625 ppm2=8.033 
assign ( resid 13 and name HB) ( resid 13 and name HG2#) 2.6 0.5 0.5 volume=506674940.000 peak=851 ppm1=4.742 ppm2=1.330 
assign ( resid 40 and name HA) ( resid 41 and name H) 2.7 0.5 0.5 volume=364617512.000 peak=406 ppm1=4.417 ppm2=8.472 
assign ( resid 19 and name HB3) ( resid 20 and name H) 3.5 0.7 0.7 volume=78171691.625 peak=764 ppm1=1.372 ppm2=8.452 
assign ( resid 12 and name HB) ( resid 12 and name HG2#) 2.8 0.6 0.6 volume=297621904.000 peak=834 ppm1=4.611 ppm2=1.191 
assign ( resid 40 and name HG1#) ( resid 43 and name HD3) 4.2 0.8 0.8 volume=22433689.969 peak=248 ppm1=0.934 ppm2=3.635 
assign ( resid 10 and name HB2) ( resid 12 and name HG2#) 4.6 0.9 0.9 volume=15919615.531 peak=176 ppm1=3.281 ppm2=1.167 
assign ( resid 39 and name HA) ( resid 40 and name HA) 4.1 0.8 0.8 volume=32073629.688 peak=425 ppm1=3.443 ppm2=4.399 
assign ( resid 7 and name HB2) ( resid 28 and name H) 4.2 0.8 0.8 volume=27453624.688 peak=189 ppm1=3.470 ppm2=9.837 
assign ( resid 34 and name HA) ( resid 35 and name H) 3.7 0.7 0.7 volume=59108236.750 peak=560 ppm1=4.108 ppm2=8.163 
assign ( resid 20 and name HG3) ( resid 20 and name H) 3.9 0.8 0.8 volume=43489837.625 peak=750 ppm1=1.477 ppm2=8.454 
assign ( resid 7 and name HB3) ( resid 12 and name HG2#) 2.9 0.6 0.6 volume=250816179.000 peak=195 ppm1=3.041 ppm2=1.188 
assign ( resid 17 and name HB2) ( resid 18 and name H) 3.8 0.8 0.8 volume=55142509.375 peak=792 ppm1=1.441 ppm2=8.454 
assign ( resid 35 and name HD#) ( resid 36 and name HB3) 4.5 0.9 0.9 volume=18389614.062 peak=551 ppm1=6.900 ppm2=2.006 
assign ( resid 19 and name HD2) ( resid 29 and name HA) 3.4 0.7 0.7 volume=106809145.500 peak=1002 ppm1=3.297 ppm2=4.055 
assign ( resid 19 and name HG2) ( resid 29 and name HA) 4.2 0.8 0.8 volume=27370954.438 peak=769 ppm1=1.319 ppm2=4.070 
assign ( resid 30 and name HB#) ( resid 34 and name H) 4.0 0.8 0.8 volume=36031560.875 peak=279 ppm1=1.533 ppm2=7.907 
assign ( resid 43 and name HG3) ( resid 43 and name HD2) 2.8 0.6 0.6 volume=311360756.000 peak=126 ppm1=1.905 ppm2=2.949 
assign ( resid 27 and name HG2#) ( resid 32 and name H) 3.3 0.7 0.7 volume=128432250.750 peak=229 ppm1=1.110 ppm2=9.469 
assign ( resid 44 and name HD2#) ( resid 43 and name HB3) 4.2 0.8 0.8 volume=28639237.500 peak=985 ppm1=0.833 ppm2=2.257 
assign ( resid 27 and name HA) ( resid 7 and name HA) 3.1 0.6 0.6 volume=164025087.000 peak=901 ppm1=5.743 ppm2=4.365 
assign ( resid 32 and name HA3) ( resid 19 and name HB3) 4.1 0.8 0.8 volume=31649842.688 peak=766 ppm1=4.019 ppm2=1.387 
assign ( resid 34 and name HB2) ( resid 34 and name HE#) 3.5 0.7 0.7 volume=89125767.750 peak=18 ppm1=3.255 ppm2=6.575 
assign ( resid 21 and name HB2) ( resid 21 and name HD22) 3.6 0.7 0.7 volume=66613618.250 peak=727 ppm1=3.302 ppm2=7.886 
assign ( resid 33 and name HB2) ( resid 33 and name HA) 2.8 0.6 0.6 volume=312519276.500 peak=595 ppm1=1.527 ppm2=4.110 
assign ( resid 21 and name HB3) ( resid 20 and name HA) 4.6 0.9 0.9 volume=16390856.000 peak=732 ppm1=2.753 ppm2=5.311 
assign ( resid 27 and name HB) ( resid 27 and name HG1#) 2.8 0.6 0.6 volume=276733274.500 peak=655 ppm1=2.251 ppm2=0.697 
assign ( resid 10 and name HB2) ( resid 11 and name H) 4.6 0.9 0.9 volume=16538028.688 peak=169 ppm1=3.295 ppm2=8.028 
assign ( resid 45 and name HG2#) ( resid 45 and name H) 4.1 0.8 0.8 volume=31887171.250 peak=355 ppm1=1.167 ppm2=7.941 
assign ( resid 16 and name HB) ( resid 17 and name HB2) 4.1 0.8 0.8 volume=32117472.562 peak=816 ppm1=4.181 ppm2=1.432 
assign ( resid 26 and name HD2) ( resid 25 and name HB2) 3.7 0.7 0.7 volume=55880300.125 peak=681 ppm1=3.832 ppm2=2.392 
assign ( resid 31 and name HB2) ( resid 42 and name HB3) 4.3 0.9 0.9 volume=22920681.875 peak=208 ppm1=3.313 ppm2=1.664 
assign ( resid 23 and name HB2) ( resid 23 and name HD22) 3.9 0.8 0.8 volume=42902068.000 peak=701 ppm1=2.873 ppm2=6.886 
assign ( resid 27 and name HG2#) ( resid 31 and name HB2) 3.3 0.7 0.7 volume=55189910.250 peak=210 ppm1=1.111 ppm2=3.310 
assign ( resid 8 and name HB#) ( resid 21 and name HD22) 3.1 0.6 0.6 volume=160409731.000 peak=286 ppm1=1.439 ppm2=7.871 
assign ( resid 19 and name HD2) ( resid 20 and name H) 4.5 0.9 0.9 volume=18852529.375 peak=761 ppm1=3.308 ppm2=8.446 
assign ( resid 23 and name HB3) ( resid 23 and name H) 3.1 0.6 0.6 volume=189591160.000 peak=703 ppm1=2.625 ppm2=7.554 
assign ( resid 18 and name HH2) ( resid 28 and name HB3) 3.9 0.8 0.8 volume=42406779.500 peak=36 ppm1=6.336 ppm2=3.044 
assign ( resid 44 and name HD2#) ( resid 42 and name HA) 4.5 0.9 0.9 volume=19315143.625 peak=978 ppm1=0.785 ppm2=3.174 
assign ( resid 6 and name HA) ( resid 12 and name HG2#) 4.1 0.8 0.8 volume=34243732.938 peak=915 ppm1=5.089 ppm2=1.180 
assign ( resid 17 and name HD2#) ( resid 17 and name H) 4.4 0.9 0.9 volume=20492314.125 peak=805 ppm1=0.767 ppm2=6.973 
assign ( resid 32 and name HA3) ( resid 32 and name H) 3.2 0.6 0.6 volume=150399912.000 peak=111 ppm1=4.025 ppm2=9.443 
assign ( resid 10 and name HB2) ( resid 10 and name H) 3.8 0.8 0.8 volume=54375733.125 peak=168 ppm1=3.293 ppm2=8.788 
assign ( resid 44 and name HB3) ( resid 44 and name HA) 3.0 0.6 0.6 volume=219288524.000 peak=361 ppm1=1.639 ppm2=4.350 
assign ( resid 2 and name HB3) ( resid 2 and name HD3) 2.9 0.6 0.6 volume=239277434.500 peak=941 ppm1=1.794 ppm2=3.133 
assign ( resid 34 and name HA) ( resid 34 and name H) 3.2 0.6 0.6 volume=147075701.500 peak=561 ppm1=4.109 ppm2=7.917 
assign ( resid 39 and name HA) ( resid 38 and name H) 4.4 0.9 0.9 volume=20631298.000 peak=420 ppm1=3.450 ppm2=8.181 
assign ( resid 26 and name HB2) ( resid 26 and name HD3) 3.7 0.7 0.7 volume=63706698.000 peak=687 ppm1=1.603 ppm2=3.751 
assign ( resid 18 and name HE3) ( resid 18 and name H) 4.1 0.8 0.8 volume=32411963.875 peak=45 ppm1=7.292 ppm2=8.487 
assign ( resid 40 and name HG1#) ( resid 34 and name HE#) 2.7 0.5 0.5 volume=360476103.000 peak=584 ppm1=0.934 ppm2=6.576 
assign ( resid 18 and name HE3) ( resid 19 and name H) 4.4 0.9 0.9 volume=21192868.312 peak=44 ppm1=7.299 ppm2=9.237 
assign ( resid 12 and name HA) ( resid 12 and name HG2#) 3.1 0.6 0.6 volume=179241241.500 peak=1005 ppm1=4.590 ppm2=1.186 
assign ( resid 33 and name HB3) ( resid 36 and name HB3) 4.5 0.9 0.9 volume=17829886.062 peak=603 ppm1=1.797 ppm2=2.012 
assign ( resid 27 and name HG1#) ( resid 27 and name H) 3.1 0.6 0.6 volume=174089202.500 peak=151 ppm1=0.697 ppm2=8.495 
assign ( resid 3 and name HA) ( resid 4 and name H) 3.7 0.7 0.7 volume=57385686.375 peak=92 ppm1=4.289 ppm2=8.427 
assign ( resid 32 and name HA3) ( resid 19 and name HB2) 4.2 0.8 0.8 volume=27463624.188 peak=116 ppm1=4.034 ppm2=2.051 
assign ( resid 33 and name HG) ( resid 33 and name HA) 3.0 0.6 0.6 volume=212729988.500 peak=596 ppm1=1.684 ppm2=4.105 
assign ( resid 7 and name HA) ( resid 8 and name H) 2.9 0.6 0.6 volume=256246357.000 peak=897 ppm1=4.364 ppm2=9.479 
assign ( resid 31 and name HB2) ( resid 31 and name HA) 3.0 0.6 0.6 volume=218193123.500 peak=625 ppm1=3.321 ppm2=4.048 
assign ( resid 27 and name HG1#) ( resid 27 and name HA) 3.5 0.7 0.7 volume=79065638.250 peak=10 ppm1=0.698 ppm2=5.742 
assign ( resid 27 and name HG2#) ( resid 27 and name HA) 3.0 0.6 0.6 volume=230690061.500 peak=9 ppm1=1.111 ppm2=5.742 
assign ( resid 33 and name HA) ( resid 37 and name H) 4.0 0.8 0.8 volume=37503638.875 peak=590 ppm1=4.105 ppm2=7.578 
assign ( resid 26 and name HB3) ( resid 18 and name HE3) 4.0 0.8 0.8 volume=35914685.188 peak=968 ppm1=1.773 ppm2=7.291 
assign ( resid 27 and name HA) ( resid 28 and name HB2) 4.4 0.9 0.9 volume=21521023.625 peak=648 ppm1=5.745 ppm2=2.497 
assign ( resid 36 and name HG3) ( resid 36 and name HD3) 2.5 0.5 0.5 volume=623159239.000 peak=507 ppm1=1.459 ppm2=1.709 
assign ( resid 33 and name HD2#) ( resid 29 and name HD22) 3.7 0.7 0.7 volume=55769201.875 peak=612 ppm1=0.859 ppm2=7.626 
assign ( resid 20 and name HA) ( resid 19 and name HA) 4.3 0.9 0.9 volume=23286173.844 peak=75 ppm1=5.315 ppm2=4.700 
assign ( resid 34 and name HB2) ( resid 34 and name HD#) 2.8 0.6 0.6 volume=297109406.000 peak=65 ppm1=3.255 ppm2=7.317 
assign ( resid 27 and name HG1#) ( resid 21 and name HA) 3.9 0.8 0.8 volume=45273858.312 peak=736 ppm1=0.698 ppm2=4.701 
assign ( resid 26 and name HG2) ( resid 26 and name HA) 3.9 0.8 0.8 volume=42000848.250 peak=676 ppm1=1.730 ppm2=4.989 
assign ( resid 38 and name HA) ( resid 38 and name H) 3.5 0.7 0.7 volume=89305295.000 peak=430 ppm1=4.571 ppm2=8.172 
assign ( resid 14 and name HG2#) ( resid 14 and name H) 3.4 0.7 0.7 volume=94562366.000 peak=842 ppm1=1.143 ppm2=8.324 
assign ( resid 20 and name HG2) ( resid 20 and name HD2) 3.0 0.6 0.6 volume=234483187.500 peak=755 ppm1=1.563 ppm2=3.027 
assign ( resid 23 and name HA) ( resid 24 and name H) 3.6 0.7 0.7 volume=76906826.875 peak=696 ppm1=4.708 ppm2=8.161 
assign ( resid 11 and name HA) ( resid 11 and name H) 2.7 0.5 0.5 volume=368439225.000 peak=863 ppm1=4.374 ppm2=8.030 
assign ( resid 37 and name HB3) ( resid 37 and name H) 3.2 0.6 0.6 volume=154654764.000 peak=453 ppm1=0.844 ppm2=7.563 
assign ( resid 20 and name HD2) ( resid 24 and name HA2) 3.6 0.7 0.7 volume=74579161.125 peak=103 ppm1=3.025 ppm2=3.529 
assign ( resid 42 and name HB3) ( resid 43 and name HD2) 4.1 0.8 0.8 volume=32432841.188 peak=394 ppm1=1.669 ppm2=2.942 
assign ( resid 12 and name HB) ( resid 13 and name H) 3.7 0.7 0.7 volume=63026044.500 peak=861 ppm1=4.609 ppm2=8.307 
assign ( resid 40 and name HG2#) ( resid 40 and name H) 3.6 0.7 0.7 volume=70389244.125 peak=256 ppm1=1.000 ppm2=7.040 
assign ( resid 18 and name HA) ( resid 19 and name H) 3.2 0.6 0.6 volume=157180688.250 peak=776 ppm1=4.693 ppm2=9.226 
assign ( resid 22 and name HB#) ( resid 35 and name HE#) 4.1 0.8 0.8 volume=32483060.562 peak=556 ppm1=1.369 ppm2=6.709 
assign ( resid 40 and name HB) ( resid 40 and name H) 4.0 0.8 0.8 volume=35771728.625 peak=414 ppm1=2.209 ppm2=7.038 
assign ( resid 37 and name HD2#) ( resid 33 and name HB3) 4.1 0.8 0.8 volume=32658896.375 peak=981 ppm1=0.638 ppm2=1.830 
assign ( resid 33 and name HD2#) ( resid 34 and name H) 4.1 0.8 0.8 volume=31683585.062 peak=613 ppm1=0.863 ppm2=7.922 
assign ( resid 26 and name HD2) ( resid 25 and name H) 4.5 0.9 0.9 volume=19894194.750 peak=690 ppm1=3.837 ppm2=8.031 
assign ( resid 36 and name HB3) ( resid 36 and name HD3) 3.1 0.6 0.6 volume=185292484.500 peak=495 ppm1=2.002 ppm2=1.706 
assign ( resid 37 and name HD2#) ( resid 33 and name HG) 3.8 0.8 0.8 volume=48306423.500 peak=239 ppm1=0.638 ppm2=1.724 
assign ( resid 7 and name HB2) ( resid 7 and name H) 3.4 0.7 0.7 volume=101562172.750 peak=185 ppm1=3.470 ppm2=8.921 
assign ( resid 39 and name HB3) ( resid 40 and name H) 4.2 0.8 0.8 volume=27572198.500 peak=339 ppm1=3.011 ppm2=7.042 
assign ( resid 19 and name HD3) ( resid 29 and name H) 4.7 0.9 0.9 volume=14001197.875 peak=773 ppm1=2.861 ppm2=7.913 
assign ( resid 7 and name HB3) ( resid 11 and name H) 3.7 0.7 0.7 volume=55856200.125 peak=188 ppm1=3.045 ppm2=8.016 
assign ( resid 35 and name HB2) ( resid 32 and name HA2) 4.2 0.8 0.8 volume=27579795.938 peak=535 ppm1=3.221 ppm2=3.584 
assign ( resid 41 and name HA) ( resid 41 and name H) 3.5 0.7 0.7 volume=80109509.500 peak=400 ppm1=5.010 ppm2=8.479 
assign ( resid 17 and name HB2) ( resid 17 and name H) 3.8 0.8 0.8 volume=53727159.125 peak=793 ppm1=1.434 ppm2=7.000 
assign ( resid 32 and name HA2) ( resid 33 and name H) 3.7 0.7 0.7 volume=63128015.125 peak=110 ppm1=3.569 ppm2=8.894 
assign ( resid 18 and name HZ3) ( resid 5 and name HG2#) 4.3 0.9 0.9 volume=24687227.125 peak=957 ppm1=7.099 ppm2=-0.109 
assign ( resid 6 and name HB2) ( resid 6 and name H) 3.5 0.7 0.7 volume=80924443.250 peak=307 ppm1=2.512 ppm2=7.892 
assign ( resid 44 and name HB2) ( resid 44 and name HA) 2.8 0.6 0.6 volume=304918179.500 peak=362 ppm1=1.539 ppm2=4.352 
assign ( resid 18 and name HE3) ( resid 18 and name HA) 3.9 0.8 0.8 volume=42318041.250 peak=38 ppm1=7.293 ppm2=4.697 
assign ( resid 6 and name HB2) ( resid 13 and name HG2#) 3.0 0.6 0.6 volume=154868008.500 peak=311 ppm1=2.514 ppm2=1.332 
assign ( resid 31 and name HA) ( resid 31 and name H) 3.4 0.7 0.7 volume=103393703.000 peak=621 ppm1=4.046 ppm2=9.401 
assign ( resid 44 and name HB3) ( resid 45 and name HG2#) 4.5 0.9 0.9 volume=18885643.406 peak=363 ppm1=1.650 ppm2=1.147 
assign ( resid 17 and name HB2) ( resid 17 and name HA) 2.5 0.5 0.5 volume=236839071.500 peak=794 ppm1=1.442 ppm2=4.323 
assign ( resid 8 and name HA) ( resid 8 and name H) 3.2 0.6 0.6 volume=149006046.250 peak=893 ppm1=4.179 ppm2=9.479 
assign ( resid 35 and name HA) ( resid 36 and name H) 3.8 0.8 0.8 volume=55250617.500 peak=520 ppm1=4.386 ppm2=7.984 
assign ( resid 2 and name HB2) ( resid 2 and name HG3) 2.2 0.4 0.4 volume=1234042380.000 peak=940 ppm1=1.721 ppm2=1.587 
assign ( resid 37 and name HA) ( resid 38 and name H) 3.8 0.8 0.8 volume=54859812.625 peak=439 ppm1=4.020 ppm2=8.178 
assign ( resid 37 and name HA) ( resid 37 and name HG) 3.3 0.7 0.7 volume=94604019.500 peak=464 ppm1=4.022 ppm2=1.110 
assign ( resid 18 and name HZ2) ( resid 18 and name HE1) 3.4 0.7 0.7 volume=98359511.000 peak=56 ppm1=7.071 ppm2=10.053 
assign ( resid 6 and name HB2) ( resid 7 and name H) 3.7 0.7 0.7 volume=57803242.000 peak=308 ppm1=2.514 ppm2=8.923 
assign ( resid 17 and name HD2#) ( resid 17 and name HD1#) 2.4 0.5 0.5 volume=728365808.000 peak=811 ppm1=0.770 ppm2=0.930 
assign ( resid 24 and name HA3) ( resid 24 and name HA2) 2.4 0.5 0.5 volume=772626068.000 peak=95 ppm1=4.301 ppm2=3.529 
assign ( resid 24 and name HA3) ( resid 23 and name H) 4.4 0.9 0.9 volume=22697646.438 peak=98 ppm1=4.301 ppm2=7.553 
assign ( resid 27 and name HA) ( resid 28 and name H) 3.1 0.6 0.6 volume=178939752.000 peak=1 ppm1=5.743 ppm2=9.840 
assign ( resid 18 and name HZ3) ( resid 28 and name HB3) 4.0 0.8 0.8 volume=37143467.438 peak=52 ppm1=7.101 ppm2=3.054 
assign ( resid 13 and name HA) ( resid 13 and name H) 3.5 0.7 0.7 volume=83407038.500 peak=855 ppm1=5.171 ppm2=8.311 
assign ( resid 40 and name HG1#) ( resid 38 and name HB3) 3.2 0.6 0.6 volume=133707470.000 peak=250 ppm1=0.935 ppm2=2.568 
assign ( resid 21 and name HB2) ( resid 27 and name HG2#) 3.3 0.7 0.7 volume=118296525.750 peak=998 ppm1=3.304 ppm2=1.109 
assign ( resid 45 and name HA) ( resid 45 and name HG2#) 2.8 0.6 0.6 volume=309789184.000 peak=350 ppm1=4.282 ppm2=1.161 
assign ( resid 37 and name HD1#) ( resid 37 and name H) 3.7 0.7 0.7 volume=60984811.250 peak=469 ppm1=0.711 ppm2=7.561 
assign ( resid 29 and name HB3) ( resid 29 and name HB2) 2.7 0.5 0.5 volume=281680635.000 peak=574 ppm1=3.244 ppm2=2.769 
assign ( resid 43 and name HB2) ( resid 43 and name HD2) 3.5 0.7 0.7 volume=81672506.000 peak=373 ppm1=1.786 ppm2=2.957 
assign ( resid 36 and name HA) ( resid 36 and name HD3) 3.4 0.7 0.7 volume=99425026.250 peak=489 ppm1=4.001 ppm2=1.709 
assign ( resid 24 and name HA3) ( resid 24 and name H) 3.0 0.6 0.6 volume=205575543.000 peak=100 ppm1=4.301 ppm2=8.168 
assign ( resid 35 and name HE#) ( resid 39 and name HB3) 4.4 0.9 0.9 volume=22132360.469 peak=27 ppm1=6.707 ppm2=3.011 
assign ( resid 35 and name HE#) ( resid 41 and name HA) 4.5 0.9 0.9 volume=17493588.219 peak=29 ppm1=6.709 ppm2=5.011 
assign ( resid 18 and name HD1) ( resid 18 and name HB3) 3.4 0.7 0.7 volume=101229813.750 peak=951 ppm1=7.226 ppm2=3.055 
assign ( resid 12 and name HG2#) ( resid 28 and name HB3) 2.8 0.6 0.6 volume=319308323.500 peak=831 ppm1=1.191 ppm2=3.041 
assign ( resid 33 and name HB3) ( resid 37 and name HD1#) 3.9 0.8 0.8 volume=46127697.375 peak=475 ppm1=1.796 ppm2=0.685 
assign ( resid 9 and name HB2) ( resid 11 and name H) 4.5 0.9 0.9 volume=19860478.406 peak=318 ppm1=3.490 ppm2=8.029 
assign ( resid 16 and name HB) ( resid 16 and name HG2#) 2.4 0.5 0.5 volume=736455608.000 peak=817 ppm1=4.177 ppm2=1.222 
assign ( resid 43 and name HG3) ( resid 43 and name HB3) 2.7 0.5 0.5 volume=373410495.000 peak=380 ppm1=1.906 ppm2=2.215 
assign ( resid 18 and name HZ3) ( resid 6 and name HA) 3.2 0.6 0.6 volume=134678845.500 peak=909 ppm1=7.100 ppm2=5.124 
assign ( resid 34 and name HB2) ( resid 33 and name HD2#) 4.1 0.8 0.8 volume=34383571.812 peak=576 ppm1=3.254 ppm2=0.879 
assign ( resid 27 and name HG2#) ( resid 28 and name HB3) 4.1 0.8 0.8 volume=33276086.000 peak=220 ppm1=1.109 ppm2=3.037 
assign ( resid 31 and name HB2) ( resid 27 and name HG1#) 3.4 0.7 0.7 volume=108065991.500 peak=157 ppm1=3.320 ppm2=0.698 
assign ( resid 20 and name HG2) ( resid 24 and name HA2) 4.1 0.8 0.8 volume=30862372.688 peak=752 ppm1=1.560 ppm2=3.526 
assign ( resid 37 and name HB3) ( resid 37 and name HD2#) 2.9 0.6 0.6 volume=230264889.000 peak=460 ppm1=0.844 ppm2=0.656 
assign ( resid 10 and name HB2) ( resid 44 and name HD1#) 3.6 0.7 0.7 volume=66271906.625 peak=174 ppm1=3.292 ppm2=0.894 
assign ( resid 27 and name HG1#) ( resid 21 and name HD22) 4.7 0.9 0.9 volume=14549538.438 peak=149 ppm1=0.699 ppm2=7.896 
assign ( resid 40 and name HG1#) ( resid 39 and name HB2) 3.5 0.7 0.7 volume=88347039.375 peak=419 ppm1=0.933 ppm2=2.636 
assign ( resid 33 and name HB3) ( resid 34 and name H) 3.6 0.7 0.7 volume=73853122.375 peak=599 ppm1=1.795 ppm2=7.915 
assign ( resid 12 and name HG2#) ( resid 13 and name H) 3.2 0.6 0.6 volume=148749724.750 peak=837 ppm1=1.192 ppm2=8.316 
assign ( resid 27 and name HA) ( resid 9 and name H) 4.6 0.9 0.9 volume=16240788.375 peak=982 ppm1=5.749 ppm2=9.085 
assign ( resid 8 and name HA) ( resid 9 and name HB3) 4.2 0.8 0.8 volume=27134927.938 peak=888 ppm1=4.179 ppm2=2.663 
assign ( resid 5 and name HG2#) ( resid 18 and name HZ2) 4.3 0.9 0.9 volume=14417686.844 peak=929 ppm1=-0.114 ppm2=7.080 
assign ( resid 25 and name HB2) ( resid 23 and name HB2) 4.6 0.9 0.9 volume=17387933.594 peak=692 ppm1=2.400 ppm2=2.854 
assign ( resid 7 and name HA) ( resid 8 and name HB#) 3.4 0.7 0.7 volume=98932250.000 peak=290 ppm1=4.363 ppm2=1.430 
assign ( resid 7 and name HB3) ( resid 7 and name H) 3.3 0.7 0.7 volume=123509702.750 peak=186 ppm1=3.048 ppm2=8.914 
assign ( resid 29 and name HB2) ( resid 29 and name H) 3.4 0.7 0.7 volume=98896642.250 peak=641 ppm1=2.764 ppm2=7.916 
assign ( resid 18 and name HE3) ( resid 26 and name HB2) 3.9 0.8 0.8 volume=43308828.500 peak=43 ppm1=7.295 ppm2=1.606 
assign ( resid 23 and name HB3) ( resid 24 and name H) 3.9 0.8 0.8 volume=41067799.250 peak=708 ppm1=2.627 ppm2=8.172 
assign ( resid 35 and name HD#) ( resid 35 and name HE#) 2.3 0.5 0.5 volume=922515988.000 peak=544 ppm1=6.900 ppm2=6.710 
assign ( resid 41 and name HB2) ( resid 40 and name HA) 3.9 0.8 0.8 volume=41593861.500 peak=405 ppm1=2.669 ppm2=4.408 
assign ( resid 26 and name HG3) ( resid 26 and name HB2) 3.1 0.6 0.6 volume=191033983.000 peak=669 ppm1=2.141 ppm2=1.596 
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET -18           HT1      MET -18  20.056   3.630  18.492
    2    H2   MET -18           HT2      MET -18  21.117   4.772  19.140
    3    H3   MET -18           HT3      MET -18  20.440   3.592  20.141
    4    HA   MET -18           HA       MET -18  22.721   3.068  19.647
    5    HB2  MET -18           HB2      MET -18  20.836   1.222  18.163
    6    HB3  MET -18           HB1      MET -18  22.409   0.798  18.817
    7    HG2  MET -18           HG2      MET -18  20.047   1.678  20.456
    8    HG3  MET -18           HG1      MET -18  20.525   0.005  20.189
    9    HE1  MET -18           HE1      MET -18  22.476  -1.193  21.376
   10    HE2  MET -18           HE2      MET -18  23.823  -0.349  22.142
   11    HE3  MET -18           HE3      MET -18  23.544  -0.174  20.409
   12    H    ALA -17           HN       ALA -17  21.032   2.266  16.614
   13    HA   ALA -17           HA       ALA -17  22.684   4.064  15.076
   14    HB1  ALA -17           HB1      ALA -17  24.215   2.180  15.358
   15    HB2  ALA -17           HB2      ALA -17  23.697   2.326  13.679
   16    HB3  ALA -17           HB3      ALA -17  22.994   1.083  14.712
   17    H    HIS -16           HN       HIS -16  20.014   4.128  15.363
   18    HA   HIS -16           HA       HIS -16  18.589   2.535  13.483
   19    HB2  HIS -16           HB2      HIS -16  17.586   3.566  15.529
   20    HB3  HIS -16           HB1      HIS -16  17.732   5.140  14.759
   21    HD1  HIS -16           HD1      HIS -16  15.594   2.139  14.920
   22    HD2  HIS -16           HD2      HIS -16  15.964   5.512  12.518
   23    HE1  HIS -16           HE1      HIS -16  13.456   2.269  13.603
   24    HE2  HIS -16           HE2      HIS -16  13.712   4.301  12.135
   25    H    HIS -15           HN       HIS -15  18.085   2.915  11.406
   26    HA   HIS -15           HA       HIS -15  18.441   5.513  10.199
   27    HB2  HIS -15           HB2      HIS -15  20.035   4.646   8.458
   28    HB3  HIS -15           HB1      HIS -15  20.732   4.799  10.063
   29    HD1  HIS -15           HD1      HIS -15  22.018   2.830  10.833
   30    HD2  HIS -15           HD2      HIS -15  19.239   1.816   7.914
   31    HE1  HIS -15           HE1      HIS -15  22.405   0.392  10.346
   32    HE2  HIS -15           HE2      HIS -15  20.606  -0.233   8.699
   33    H    HIS -14           HN       HIS -14  17.687   5.541   7.946
   34    HA   HIS -14           HA       HIS -14  15.412   3.749   7.711
   35    HB2  HIS -14           HB2      HIS -14  16.215   6.187   6.119
   36    HB3  HIS -14           HB1      HIS -14  14.766   5.241   5.808
   37    HD1  HIS -14           HD1      HIS -14  15.767   8.203   7.448
   38    HD2  HIS -14           HD2      HIS -14  13.131   5.130   8.372
   39    HE1  HIS -14           HE1      HIS -14  14.212   9.146   9.178
   40    HE2  HIS -14           HE2      HIS -14  12.783   7.197   9.885
   41    H    HIS -13           HN       HIS -13  16.890   1.898   7.259
   42    HA   HIS -13           HA       HIS -13  17.875   1.838   4.515
   43    HB2  HIS -13           HB2      HIS -13  19.298   0.808   6.224
   44    HB3  HIS -13           HB1      HIS -13  17.988  -0.269   6.690
   45    HD1  HIS -13           HD1      HIS -13  17.792  -2.429   5.433
   46    HD2  HIS -13           HD2      HIS -13  20.375   0.250   3.589
   47    HE1  HIS -13           HE1      HIS -13  18.870  -3.713   3.562
   48    HE2  HIS -13           HE2      HIS -13  20.554  -2.123   2.577
   49    H    HIS -12           HN       HIS -12  16.231   1.682   3.115
   50    HA   HIS -12           HA       HIS -12  13.886   0.159   3.715
   51    HB2  HIS -12           HB2      HIS -12  13.290   0.659   1.282
   52    HB3  HIS -12           HB1      HIS -12  13.425   2.023   2.374
   53    HD1  HIS -12           HD1      HIS -12  15.365   3.690   1.959
   54    HD2  HIS -12           HD2      HIS -12  15.154   0.589  -0.803
   55    HE1  HIS -12           HE1      HIS -12  16.845   4.383   0.049
   56    HE2  HIS -12           HE2      HIS -12  16.578   2.565  -1.673
   57    H    HIS -11           HN       HIS -11  14.759  -1.864   4.140
   58    HA   HIS -11           HA       HIS -11  16.144  -3.381   2.170
   59    HB2  HIS -11           HB2      HIS -11  15.721  -5.317   3.631
   60    HB3  HIS -11           HB1      HIS -11  16.332  -3.945   4.545
   61    HD1  HIS -11           HD1      HIS -11  13.583  -6.345   4.417
   62    HD2  HIS -11           HD2      HIS -11  14.259  -2.603   6.091
   63    HE1  HIS -11           HE1      HIS -11  11.791  -6.046   6.152
   64    HE2  HIS -11           HE2      HIS -11  12.086  -3.683   6.972
   65    H    SER -10           HN       SER -10  12.843  -2.609   2.710
   66    HA   SER -10           HA       SER -10  11.928  -4.713   0.909
   67    HB2  SER -10           HB2      SER -10   9.653  -3.787   1.429
   68    HB3  SER -10           HB1      SER -10  10.533  -4.352   2.848
   69    HG   SER -10           HG       SER -10  10.103  -1.683   1.985
   70    H    SER  -9           HN       SER  -9  13.195  -3.787  -0.858
   71    HA   SER  -9           HA       SER  -9  12.782  -1.218  -1.887
   72    HB2  SER  -9           HB2      SER  -9  13.614  -2.305  -4.059
   73    HB3  SER  -9           HB1      SER  -9  14.684  -2.376  -2.662
   74    HG   SER  -9           HG       SER  -9  12.888  -4.484  -2.983
   75    H    GLY  -8           HN       GLY  -8  11.003  -0.343  -2.667
   76    HA2  GLY  -8           HA2      GLY  -8   9.316  -0.369  -4.424
   77    HA3  GLY  -8           HA1      GLY  -8   9.106  -2.088  -4.117
   78    H    LEU  -7           HN       LEU  -7   9.352  -1.449  -1.163
   79    HA   LEU  -7           HA       LEU  -7   6.635  -0.371  -0.780
   80    HB2  LEU  -7           HB2      LEU  -7   8.027  -2.388   1.003
   81    HB3  LEU  -7           HB1      LEU  -7   6.380  -1.805   1.175
   82    HG   LEU  -7           HG       LEU  -7   6.185  -3.961   0.317
   83   HD11  LEU  -7          HD11      LEU  -7   4.740  -2.387  -0.810
   84   HD12  LEU  -7          HD12      LEU  -7   5.216  -3.689  -1.898
   85   HD13  LEU  -7          HD13      LEU  -7   5.976  -2.105  -2.035
   86   HD21  LEU  -7          HD21      LEU  -7   8.281  -3.291  -1.735
   87   HD22  LEU  -7          HD22      LEU  -7   7.375  -4.802  -1.648
   88   HD23  LEU  -7          HD23      LEU  -7   8.476  -4.358  -0.344
   89    H    GLU  -6           HN       GLU  -6   7.294   1.749  -0.416
   90    HA   GLU  -6           HA       GLU  -6   8.997   2.217   1.917
   91    HB2  GLU  -6           HB2      GLU  -6   9.525   3.303  -0.848
   92    HB3  GLU  -6           HB1      GLU  -6  10.355   3.837   0.607
   93    HG2  GLU  -6           HG2      GLU  -6  11.477   1.820   0.858
   94    HG3  GLU  -6           HG1      GLU  -6  10.347   0.953  -0.182
   95    H    VAL  -5           HN       VAL  -5   6.713   2.823   2.592
   96    HA   VAL  -5           HA       VAL  -5   6.544   5.748   2.298
   97    HB   VAL  -5           HB       VAL  -5   4.537   5.085   1.225
   98   HG11  VAL  -5          HG11      VAL  -5   4.638   2.715   1.839
   99   HG12  VAL  -5          HG12      VAL  -5   3.023   3.397   2.037
  100   HG13  VAL  -5          HG13      VAL  -5   4.046   3.125   3.449
  101   HG21  VAL  -5          HG21      VAL  -5   3.896   5.589   4.109
  102   HG22  VAL  -5          HG22      VAL  -5   2.724   5.627   2.794
  103   HG23  VAL  -5          HG23      VAL  -5   4.057   6.783   2.820
  104    H    LEU  -4           HN       LEU  -4   7.012   6.708   4.179
  105    HA   LEU  -4           HA       LEU  -4   6.709   5.086   6.619
  106    HB2  LEU  -4           HB2      LEU  -4   8.779   7.192   6.004
  107    HB3  LEU  -4           HB1      LEU  -4   8.643   6.322   7.517
  108    HG   LEU  -4           HG       LEU  -4   9.261   5.059   4.842
  109   HD11  LEU  -4          HD11      LEU  -4  11.089   6.463   5.612
  110   HD12  LEU  -4          HD12      LEU  -4  11.513   4.756   5.741
  111   HD13  LEU  -4          HD13      LEU  -4  11.059   5.662   7.184
  112   HD21  LEU  -4          HD21      LEU  -4   9.238   3.903   7.630
  113   HD22  LEU  -4          HD22      LEU  -4   9.796   3.070   6.179
  114   HD23  LEU  -4          HD23      LEU  -4   8.101   3.529   6.335
  115    H    PHE  -3           HN       PHE  -3   4.637   6.715   5.627
  116    HA   PHE  -3           HA       PHE  -3   4.559   8.847   7.659
  117    HB2  PHE  -3           HB2      PHE  -3   2.465   8.643   5.534
  118    HB3  PHE  -3           HB1      PHE  -3   3.086  10.070   6.347
  119    HD1  PHE  -3           HD1      PHE  -3   5.786  10.360   5.809
  120    HD2  PHE  -3           HD2      PHE  -3   2.842   8.569   3.314
  121    HE1  PHE  -3           HE1      PHE  -3   7.164  10.853   3.829
  122    HE2  PHE  -3           HE2      PHE  -3   4.216   9.049   1.336
  123    HZ   PHE  -3           HZ       PHE  -3   6.377  10.187   1.589
  124    H    GLN  -2           HN       GLN  -2   2.352   9.145   8.631
  125    HA   GLN  -2           HA       GLN  -2   0.416   8.496   9.577
  126    HB2  GLN  -2           HB2      GLN  -2  -0.163   7.811   7.240
  127    HB3  GLN  -2           HB1      GLN  -2   0.405   6.190   7.629
  128    HG2  GLN  -2           HG2      GLN  -2  -1.609   7.340   9.452
  129    HG3  GLN  -2           HG1      GLN  -2  -2.152   6.935   7.826
  130   HE21  GLN  -2          HE21      GLN  -2  -2.708   5.756  10.512
  131   HE22  GLN  -2          HE22      GLN  -2  -2.354   4.072  10.341
  132    H    GLY  -1           HN       GLY  -1   1.569   5.178   8.844
  133    HA2  GLY  -1           HA2      GLY  -1   2.035   4.692  11.667
  134    HA3  GLY  -1           HA1      GLY  -1   0.597   3.929  11.010
  135    HA   PRO   0           HA       PRO   0   4.209   1.192  10.190
  136    HB2  PRO   0           HB2      PRO   0   3.720  -0.741  12.037
  137    HB3  PRO   0           HB1      PRO   0   4.614   0.739  12.381
  138    HG2  PRO   0           HG2      PRO   0   1.968  -0.058  13.300
  139    HG3  PRO   0           HG1      PRO   0   2.984   1.280  13.856
  140    HD2  PRO   0           HD2      PRO   0   0.732   1.322  11.991
  141    HD3  PRO   0           HD1      PRO   0   1.554   2.679  12.786
  142    H    ARG   1           HN       ARG   1   2.058  -1.244  11.457
  143    HA   ARG   1           HA       ARG   1   1.143  -2.079   8.855
  144    HB2  ARG   1           HB2      ARG   1   2.368  -4.323   9.140
  145    HB3  ARG   1           HB1      ARG   1   3.273  -2.952   8.529
  146    HG2  ARG   1           HG2      ARG   1   4.653  -4.093  10.085
  147    HG3  ARG   1           HG1      ARG   1   4.136  -2.591  10.846
  148    HD2  ARG   1           HD2      ARG   1   2.420  -3.820  12.091
  149    HD3  ARG   1           HD1      ARG   1   2.948  -5.321  11.330
  150    HE   ARG   1           HE       ARG   1   5.218  -4.465  12.448
  151   HH11  ARG   1          HH11      ARG   1   1.980  -4.767  13.756
  152   HH12  ARG   1          HH12      ARG   1   2.526  -5.029  15.381
  153   HH21  ARG   1          HH21      ARG   1   5.936  -4.818  14.578
  154   HH22  ARG   1          HH22      ARG   1   4.777  -5.051  15.850
  155    H    ARG   2           HN       ARG   2   0.587  -4.710   9.270
  156    HA   ARG   2           HA       ARG   2  -0.807  -5.003  11.793
  157    HB2  ARG   2           HB2      ARG   2  -2.338  -3.636  10.288
  158    HB3  ARG   2           HB1      ARG   2  -2.422  -5.043   9.247
  159    HG2  ARG   2           HG2      ARG   2  -3.509  -6.326  10.898
  160    HG3  ARG   2           HG1      ARG   2  -3.212  -5.089  12.107
  161    HD2  ARG   2           HD2      ARG   2  -4.701  -3.565  11.046
  162    HD3  ARG   2           HD1      ARG   2  -4.851  -4.615   9.641
  163    HE   ARG   2           HE       ARG   2  -5.777  -6.189  11.603
  164   HH11  ARG   2          HH11      ARG   2  -6.490  -2.872  10.770
  165   HH12  ARG   2          HH12      ARG   2  -8.125  -2.937  11.336
  166   HH21  ARG   2          HH21      ARG   2  -7.934  -6.294  12.348
  167   HH22  ARG   2          HH22      ARG   2  -8.950  -4.889  12.238
  168    H    ALA   3           HN       ALA   3   1.083  -6.288   9.575
  169    HA   ALA   3           HA       ALA   3   1.910  -8.379   9.270
  170    HB1  ALA   3           HB1      ALA   3   1.587  -8.655  11.661
  171    HB2  ALA   3           HB2      ALA   3   1.306 -10.164  10.793
  172    HB3  ALA   3           HB3      ALA   3  -0.059  -9.219  11.380
  173    H    GLY   4           HN       GLY   4  -1.112  -9.940  10.049
  174    HA2  GLY   4           HA2      GLY   4  -1.144 -10.954   7.275
  175    HA3  GLY   4           HA1      GLY   4  -1.764 -11.789   8.685
  176    H    THR   5           HN       THR   5  -2.399  -8.779   6.807
  177    HA   THR   5           HA       THR   5  -5.248  -9.191   7.427
  178    HB   THR   5           HB       THR   5  -4.088  -6.493   6.783
  179    HG1  THR   5           HG1      THR   5  -3.657  -8.046   9.069
  180   HG21  THR   5          HG21      THR   5  -6.509  -6.583   6.998
  181   HG22  THR   5          HG22      THR   5  -5.856  -5.804   8.437
  182   HG23  THR   5          HG23      THR   5  -6.385  -7.472   8.517
  183    H    CYS   6           HN       CYS   6  -6.509  -7.582   5.750
  184    HA   CYS   6           HA       CYS   6  -5.407  -8.018   3.058
  185    HB2  CYS   6           HB2      CYS   6  -7.980  -7.951   2.460
  186    HB3  CYS   6           HB1      CYS   6  -7.221  -9.421   3.026
  187    HG   CYS   6           HG       CYS   6  -9.239  -9.736   4.622
  188    H    CYS   7           HN       CYS   7  -5.932  -6.423   1.465
  189    HA   CYS   7           HA       CYS   7  -5.770  -3.818   2.685
  190    HB2  CYS   7           HB2      CYS   7  -4.271  -4.459   0.838
  191    HB3  CYS   7           HB1      CYS   7  -5.631  -4.520  -0.234
  192    H    ALA   8           HN       ALA   8  -7.365  -2.442   3.007
  193    HA   ALA   8           HA       ALA   8 -10.051  -2.857   2.442
  194    HB1  ALA   8           HB1      ALA   8  -9.205  -1.413   4.251
  195    HB2  ALA   8           HB2      ALA   8 -10.412  -0.610   3.246
  196    HB3  ALA   8           HB3      ALA   8  -8.704  -0.234   3.032
  197    H    ASN   9           HN       ASN   9  -8.360  -2.836   0.011
  198    HA   ASN   9           HA       ASN   9 -10.049  -1.199  -1.638
  199    HB2  ASN   9           HB2      ASN   9  -8.387   0.454  -0.967
  200    HB3  ASN   9           HB1      ASN   9  -7.070  -0.637  -1.511
  201   HD21  ASN   9          HD21      ASN   9  -6.216   0.287  -3.251
  202   HD22  ASN   9          HD22      ASN   9  -7.101   0.874  -4.610
  203    H    CYS  10           HN       CYS  10  -7.028  -3.171  -1.575
  204    HA   CYS  10           HA       CYS  10  -7.878  -4.134  -4.231
  205    HB2  CYS  10           HB2      CYS  10  -5.623  -4.148  -5.000
  206    HB3  CYS  10           HB1      CYS  10  -5.892  -2.568  -4.225
  207    H    GLN  11           HN       GLN  11  -7.857  -5.087  -1.256
  208    HA   GLN  11           HA       GLN  11  -7.695  -6.972  -0.014
  209    HB2  GLN  11           HB2      GLN  11  -9.514  -7.431  -1.841
  210    HB3  GLN  11           HB1      GLN  11  -8.326  -8.555  -2.483
  211    HG2  GLN  11           HG2      GLN  11  -8.237  -9.631  -0.240
  212    HG3  GLN  11           HG1      GLN  11  -9.567  -8.583   0.250
  213   HE21  GLN  11          HE21      GLN  11  -9.376 -11.503   0.028
  214   HE22  GLN  11          HE22      GLN  11 -10.675 -11.974  -1.014
  215    H    THR  12           HN       THR  12  -5.139  -6.485  -1.955
  216    HA   THR  12           HA       THR  12  -3.896  -8.970  -1.991
  217    HB   THR  12           HB       THR  12  -2.934  -6.852  -3.017
  218    HG1  THR  12           HG1      THR  12  -0.953  -7.745  -2.925
  219   HG21  THR  12          HG21      THR  12  -1.941  -6.425  -0.183
  220   HG22  THR  12          HG22      THR  12  -3.123  -5.408  -1.018
  221   HG23  THR  12          HG23      THR  12  -1.458  -5.491  -1.603
  222    H    THR  13           HN       THR  13  -2.637 -10.009  -0.527
  223    HA   THR  13           HA       THR  13  -2.789  -9.059   2.251
  224    HB   THR  13           HB       THR  13  -2.776 -11.523   2.884
  225    HG1  THR  13           HG1      THR  13  -2.688 -12.893   1.280
  226   HG21  THR  13          HG21      THR  13  -4.752 -10.062   3.043
  227   HG22  THR  13          HG22      THR  13  -5.187 -11.725   2.630
  228   HG23  THR  13          HG23      THR  13  -5.177 -10.478   1.381
  229    H    THR  14           HN       THR  14  -0.864  -9.571  -0.259
  230    HA   THR  14           HA       THR  14   1.424 -10.511   1.280
  231    HB   THR  14           HB       THR  14   1.185 -11.500  -0.976
  232    HG1  THR  14           HG1      THR  14   3.347 -11.331  -1.449
  233   HG21  THR  14          HG21      THR  14   1.348  -8.652  -1.881
  234   HG22  THR  14          HG22      THR  14   0.354  -9.975  -2.510
  235   HG23  THR  14          HG23      THR  14   2.074  -9.913  -2.873
  236    H    THR  15           HN       THR  15   1.218  -8.637   2.614
  237    HA   THR  15           HA       THR  15   2.747  -6.409   1.548
  238    HB   THR  15           HB       THR  15   0.102  -5.777   2.904
  239    HG1  THR  15           HG1      THR  15   0.689  -6.440   0.325
  240   HG21  THR  15          HG21      THR  15   0.659  -3.527   1.976
  241   HG22  THR  15          HG22      THR  15   2.258  -4.148   1.578
  242   HG23  THR  15          HG23      THR  15   1.729  -4.077   3.257
  243    H    THR  16           HN       THR  16   4.145  -5.607   2.972
  244    HA   THR  16           HA       THR  16   4.102  -6.682   5.697
  245    HB   THR  16           HB       THR  16   6.364  -5.203   4.341
  246    HG1  THR  16           HG1      THR  16   5.445  -7.846   4.040
  247   HG21  THR  16          HG21      THR  16   7.759  -6.466   5.920
  248   HG22  THR  16          HG22      THR  16   6.321  -7.238   6.584
  249   HG23  THR  16          HG23      THR  16   6.557  -5.502   6.776
  250    H    LEU  17           HN       LEU  17   3.133  -3.950   4.121
  251    HA   LEU  17           HA       LEU  17   3.609  -2.246   6.533
  252    HB2  LEU  17           HB2      LEU  17   5.082  -1.735   4.461
  253    HB3  LEU  17           HB1      LEU  17   3.622  -1.094   3.745
  254    HG   LEU  17           HG       LEU  17   3.426   0.567   5.494
  255   HD11  LEU  17          HD11      LEU  17   5.293   0.856   7.105
  256   HD12  LEU  17          HD12      LEU  17   5.961  -0.682   6.562
  257   HD13  LEU  17          HD13      LEU  17   4.392  -0.637   7.362
  258   HD21  LEU  17          HD21      LEU  17   5.407   1.888   4.911
  259   HD22  LEU  17          HD22      LEU  17   4.715   1.095   3.494
  260   HD23  LEU  17          HD23      LEU  17   6.173   0.443   4.248
  261    H    TRP  18           HN       TRP  18   1.460  -2.879   7.136
  262    HA   TRP  18           HA       TRP  18  -0.729  -2.106   5.501
  263    HB2  TRP  18           HB2      TRP  18  -0.721  -3.245   8.277
  264    HB3  TRP  18           HB1      TRP  18  -2.135  -2.957   7.337
  265    HD1  TRP  18           HD1      TRP  18   0.628  -5.458   7.755
  266    HE1  TRP  18           HE1      TRP  18   0.186  -7.442   6.251
  267    HE3  TRP  18           HE3      TRP  18  -3.194  -3.572   4.937
  268    HZ2  TRP  18           HZ2      TRP  18  -1.511  -8.186   4.174
  269    HZ3  TRP  18           HZ3      TRP  18  -4.230  -5.009   3.226
  270    HH2  TRP  18           HH2      TRP  18  -3.408  -7.245   2.822
  271    H    ARG  19           HN       ARG  19  -0.843   0.025   5.280
  272    HA   ARG  19           HA       ARG  19  -0.803   1.854   7.590
  273    HB2  ARG  19           HB2      ARG  19  -1.605   3.128   5.134
  274    HB3  ARG  19           HB1      ARG  19  -0.090   3.293   6.007
  275    HG2  ARG  19           HG2      ARG  19   0.369   0.953   4.790
  276    HG3  ARG  19           HG1      ARG  19  -0.730   1.672   3.616
  277    HD2  ARG  19           HD2      ARG  19   1.506   2.238   2.991
  278    HD3  ARG  19           HD1      ARG  19   0.771   3.715   3.631
  279    HE   ARG  19           HE       ARG  19   2.801   2.047   4.937
  280   HH11  ARG  19          HH11      ARG  19   0.840   4.937   4.931
  281   HH12  ARG  19          HH12      ARG  19   1.760   5.710   6.182
  282   HH21  ARG  19          HH21      ARG  19   4.029   3.071   6.557
  283   HH22  ARG  19          HH22      ARG  19   3.569   4.649   7.110
  284    H    ARG  20           HN       ARG  20  -2.672   3.552   7.611
  285    HA   ARG  20           HA       ARG  20  -5.209   2.125   7.323
  286    HB2  ARG  20           HB2      ARG  20  -4.387   4.487   8.993
  287    HB3  ARG  20           HB1      ARG  20  -6.061   4.035   8.789
  288    HG2  ARG  20           HG2      ARG  20  -3.933   2.767  10.369
  289    HG3  ARG  20           HG1      ARG  20  -5.655   2.961  10.685
  290    HD2  ARG  20           HD2      ARG  20  -6.116   1.195   9.007
  291    HD3  ARG  20           HD1      ARG  20  -4.377   0.936   8.864
  292    HE   ARG  20           HE       ARG  20  -6.034   0.361  11.221
  293   HH11  ARG  20          HH11      ARG  20  -2.985   0.080   9.512
  294   HH12  ARG  20          HH12      ARG  20  -2.314  -1.048  10.642
  295   HH21  ARG  20          HH21      ARG  20  -5.168  -1.150  12.685
  296   HH22  ARG  20          HH22      ARG  20  -3.559  -1.760  12.440
  297    H    ASN  21           HN       ASN  21  -6.973   3.033   6.318
  298    HA   ASN  21           HA       ASN  21  -6.456   5.375   4.642
  299    HB2  ASN  21           HB2      ASN  21  -8.420   4.841   3.364
  300    HB3  ASN  21           HB1      ASN  21  -7.542   3.308   3.627
  301   HD21  ASN  21          HD21      ASN  21  -9.792   2.607   2.950
  302   HD22  ASN  21          HD22      ASN  21 -10.963   2.388   4.174
  303    H    ALA  22           HN       ALA  22  -9.150   6.455   4.499
  304    HA   ALA  22           HA       ALA  22  -9.018   8.287   6.596
  305    HB1  ALA  22           HB1      ALA  22 -11.164   9.082   5.824
  306    HB2  ALA  22           HB2      ALA  22 -11.423   7.581   4.933
  307    HB3  ALA  22           HB3      ALA  22 -10.132   8.684   4.451
  308    H    ASN  23           HN       ASN  23 -10.382   5.130   6.669
  309    HA   ASN  23           HA       ASN  23 -12.269   5.809   8.800
  310    HB2  ASN  23           HB2      ASN  23 -13.038   4.456   6.832
  311    HB3  ASN  23           HB1      ASN  23 -11.899   3.213   7.312
  312   HD21  ASN  23          HD21      ASN  23 -13.413   1.619   7.737
  313   HD22  ASN  23          HD22      ASN  23 -14.554   1.750   9.023
  314    H    GLY  24           HN       GLY  24  -9.162   5.078   8.403
  315    HA2  GLY  24           HA2      GLY  24  -7.554   4.160   9.791
  316    HA3  GLY  24           HA1      GLY  24  -8.838   3.756  10.920
  317    H    ASP  25           HN       ASP  25  -9.027   2.906   7.568
  318    HA   ASP  25           HA       ASP  25  -9.198   0.121   8.410
  319    HB2  ASP  25           HB2      ASP  25 -10.752   1.491   6.619
  320    HB3  ASP  25           HB1      ASP  25  -9.614   0.640   5.554
  321    HA   PRO  26           HA       PRO  26  -5.178  -0.885   7.196
  322    HB2  PRO  26           HB2      PRO  26  -5.674  -3.532   6.456
  323    HB3  PRO  26           HB1      PRO  26  -5.397  -2.951   8.129
  324    HG2  PRO  26           HG2      PRO  26  -7.942  -3.614   6.723
  325    HG3  PRO  26           HG1      PRO  26  -7.515  -3.801   8.442
  326    HD2  PRO  26           HD2      PRO  26  -9.125  -1.777   7.530
  327    HD3  PRO  26           HD1      PRO  26  -8.077  -1.624   8.950
  328    H    VAL  27           HN       VAL  27  -4.003  -0.596   5.427
  329    HA   VAL  27           HA       VAL  27  -5.027  -1.527   2.820
  330    HB   VAL  27           HB       VAL  27  -3.990   0.656   1.790
  331   HG11  VAL  27          HG11      VAL  27  -6.288  -0.060   1.433
  332   HG12  VAL  27          HG12      VAL  27  -6.181   1.691   1.660
  333   HG13  VAL  27          HG13      VAL  27  -6.751   0.668   2.974
  334   HG21  VAL  27          HG21      VAL  27  -3.326   1.759   3.839
  335   HG22  VAL  27          HG22      VAL  27  -4.982   1.706   4.427
  336   HG23  VAL  27          HG23      VAL  27  -4.574   2.682   3.017
  337    H    CYS  28           HN       CYS  28  -3.387  -1.840   1.281
  338    HA   CYS  28           HA       CYS  28  -0.993  -2.810   2.485
  339    HB2  CYS  28           HB2      CYS  28  -0.677  -3.807   0.319
  340    HB3  CYS  28           HB1      CYS  28  -2.405  -3.688   0.511
  341    H    ASN  29           HN       ASN  29   1.238  -2.117   1.282
  342    HA   ASN  29           HA       ASN  29   1.877   0.407   1.967
  343    HB2  ASN  29           HB2      ASN  29   3.486  -1.398   1.316
  344    HB3  ASN  29           HB1      ASN  29   3.152  -1.032  -0.388
  345   HD21  ASN  29          HD21      ASN  29   3.067   1.750  -0.356
  346   HD22  ASN  29          HD22      ASN  29   4.641   2.294   0.009
  347    H    ALA  30           HN       ALA  30   0.939  -0.523  -1.364
  348    HA   ALA  30           HA       ALA  30   1.311   2.017  -2.425
  349    HB1  ALA  30           HB1      ALA  30  -0.565  -0.067  -3.455
  350    HB2  ALA  30           HB2      ALA  30   1.159   0.034  -3.809
  351    HB3  ALA  30           HB3      ALA  30   0.073   1.323  -4.329
  352    H    CYS  31           HN       CYS  31  -1.724   0.527  -1.265
  353    HA   CYS  31           HA       CYS  31  -3.254   2.785  -2.102
  354    HB2  CYS  31           HB2      CYS  31  -4.142   0.629  -0.212
  355    HB3  CYS  31           HB1      CYS  31  -5.148   1.732  -1.102
  356    H    GLY  32           HN       GLY  32  -1.680   1.907   0.878
  357    HA2  GLY  32           HA2      GLY  32  -2.757   4.230   2.268
  358    HA3  GLY  32           HA1      GLY  32  -1.443   3.181   2.857
  359    H    LEU  33           HN       LEU  33   0.243   3.471   0.532
  360    HA   LEU  33           HA       LEU  33   1.632   5.851   1.190
  361    HB2  LEU  33           HB2      LEU  33   2.673   3.880   0.071
  362    HB3  LEU  33           HB1      LEU  33   1.829   4.294  -1.391
  363    HG   LEU  33           HG       LEU  33   3.574   6.381  -0.252
  364   HD11  LEU  33          HD11      LEU  33   4.763   4.221  -1.956
  365   HD12  LEU  33          HD12      LEU  33   4.763   4.044  -0.207
  366   HD13  LEU  33          HD13      LEU  33   5.582   5.417  -0.952
  367   HD21  LEU  33          HD21      LEU  33   3.058   5.304  -3.006
  368   HD22  LEU  33          HD22      LEU  33   3.962   6.770  -2.617
  369   HD23  LEU  33          HD23      LEU  33   2.232   6.679  -2.280
  370    H    TYR  34           HN       TYR  34  -0.632   4.961  -1.380
  371    HA   TYR  34           HA       TYR  34  -0.195   7.316  -2.808
  372    HB2  TYR  34           HB2      TYR  34  -0.991   5.234  -3.840
  373    HB3  TYR  34           HB1      TYR  34  -2.501   5.383  -2.954
  374    HD1  TYR  34           HD1      TYR  34  -4.129   7.141  -3.585
  375    HD2  TYR  34           HD2      TYR  34  -0.537   6.460  -5.756
  376    HE1  TYR  34           HE1      TYR  34  -5.059   8.373  -5.519
  377    HE2  TYR  34           HE2      TYR  34  -1.439   7.698  -7.665
  378    HH   TYR  34           HH       TYR  34  -3.680   8.312  -8.579
  379    H    TYR  35           HN       TYR  35  -2.920   6.251  -0.810
  380    HA   TYR  35           HA       TYR  35  -4.457   8.567  -0.983
  381    HB2  TYR  35           HB2      TYR  35  -5.138   6.400   0.106
  382    HB3  TYR  35           HB1      TYR  35  -4.164   6.866   1.484
  383    HD1  TYR  35           HD1      TYR  35  -7.341   7.110  -0.042
  384    HD2  TYR  35           HD2      TYR  35  -4.745   9.033   2.681
  385    HE1  TYR  35           HE1      TYR  35  -9.242   8.298   0.892
  386    HE2  TYR  35           HE2      TYR  35  -6.627  10.224   3.645
  387    HH   TYR  35           HH       TYR  35  -8.856  10.883   3.163
  388    H    LYS  36           HN       LYS  36  -1.495   8.048   0.741
  389    HA   LYS  36           HA       LYS  36  -1.927  10.180   2.591
  390    HB2  LYS  36           HB2      LYS  36   0.310   8.366   1.891
  391    HB3  LYS  36           HB1      LYS  36   0.713   9.888   2.676
  392    HG2  LYS  36           HG2      LYS  36   0.274   7.845   4.163
  393    HG3  LYS  36           HG1      LYS  36  -0.414   9.388   4.603
  394    HD2  LYS  36           HD2      LYS  36  -2.528   8.617   3.416
  395    HD3  LYS  36           HD1      LYS  36  -1.800   7.012   3.411
  396    HE2  LYS  36           HE2      LYS  36  -1.811   6.876   5.749
  397    HE3  LYS  36           HE1      LYS  36  -2.070   8.609   5.936
  398    HZ1  LYS  36           HZ1      LYS  36  -4.046   6.662   4.872
  399    HZ2  LYS  36           HZ2      LYS  36  -4.294   8.332   5.018
  400    HZ3  LYS  36           HZ3      LYS  36  -4.084   7.383   6.399
  401    H    LEU  37           HN       LEU  37  -0.555   9.769  -0.519
  402    HA   LEU  37           HA       LEU  37   0.586  12.385  -0.643
  403    HB2  LEU  37           HB2      LEU  37  -0.100  10.782  -3.083
  404    HB3  LEU  37           HB1      LEU  37   1.277  11.843  -2.796
  405    HG   LEU  37           HG       LEU  37   0.934   9.207  -1.403
  406   HD11  LEU  37          HD11      LEU  37   2.290   9.816  -4.017
  407   HD12  LEU  37          HD12      LEU  37   0.973   8.678  -3.724
  408   HD13  LEU  37          HD13      LEU  37   2.578   8.360  -3.072
  409   HD21  LEU  37          HD21      LEU  37   3.325   9.378  -1.048
  410   HD22  LEU  37          HD22      LEU  37   2.509  10.807  -0.401
  411   HD23  LEU  37          HD23      LEU  37   3.365  10.900  -1.942
  412    H    HIS  38           HN       HIS  38  -2.423  10.828  -1.642
  413    HA   HIS  38           HA       HIS  38  -3.168  13.283  -3.089
  414    HB2  HIS  38           HB2      HIS  38  -3.503  10.410  -3.890
  415    HB3  HIS  38           HB1      HIS  38  -4.318  11.731  -4.714
  416    HD1  HIS  38           HD1      HIS  38  -2.353  10.032  -6.306
  417    HD2  HIS  38           HD2      HIS  38  -1.240  13.458  -4.240
  418    HE1  HIS  38           HE1      HIS  38  -0.146  10.730  -7.285
  419    HE2  HIS  38           HE2      HIS  38   0.580  12.697  -5.908
  420    H    ASN  39           HN       ASN  39  -4.111  11.441  -0.510
  421    HA   ASN  39           HA       ASN  39  -5.997  11.437   0.805
  422    HB2  ASN  39           HB2      ASN  39  -5.881  13.877  -0.234
  423    HB3  ASN  39           HB1      ASN  39  -7.423  13.381  -0.901
  424   HD21  ASN  39          HD21      ASN  39  -7.918  11.651   1.517
  425   HD22  ASN  39          HD22      ASN  39  -8.368  12.769   2.751
  426    H    VAL  40           HN       VAL  40  -5.836   9.746  -1.608
  427    HA   VAL  40           HA       VAL  40  -8.598   8.941  -1.714
  428    HB   VAL  40           HB       VAL  40  -8.430   8.731  -4.301
  429   HG11  VAL  40          HG11      VAL  40  -8.959  11.378  -2.983
  430   HG12  VAL  40          HG12      VAL  40 -10.109  10.054  -3.179
  431   HG13  VAL  40          HG13      VAL  40  -9.495  10.908  -4.595
  432   HG21  VAL  40          HG21      VAL  40  -6.761  11.211  -3.981
  433   HG22  VAL  40          HG22      VAL  40  -7.172  10.342  -5.466
  434   HG23  VAL  40          HG23      VAL  40  -6.064   9.629  -4.305
  435    H    ASN  41           HN       ASN  41  -8.845   6.870  -2.924
  436    HA   ASN  41           HA       ASN  41  -6.769   5.079  -2.159
  437    HB2  ASN  41           HB2      ASN  41  -9.391   4.755  -3.572
  438    HB3  ASN  41           HB1      ASN  41  -8.217   3.457  -3.608
  439   HD21  ASN  41          HD21      ASN  41 -10.345   5.323  -1.633
  440   HD22  ASN  41          HD22      ASN  41 -10.299   4.295  -0.244
  441    H    ARG  42           HN       ARG  42  -5.904   3.456  -3.792
  442    HA   ARG  42           HA       ARG  42  -4.649   5.121  -5.822
  443    HB2  ARG  42           HB2      ARG  42  -3.215   3.898  -4.210
  444    HB3  ARG  42           HB1      ARG  42  -3.812   2.389  -4.858
  445    HG2  ARG  42           HG2      ARG  42  -2.856   2.867  -7.013
  446    HG3  ARG  42           HG1      ARG  42  -2.370   4.476  -6.478
  447    HD2  ARG  42           HD2      ARG  42  -0.970   3.351  -4.724
  448    HD3  ARG  42           HD1      ARG  42  -1.328   1.823  -5.524
  449    HE   ARG  42           HE       ARG  42  -0.271   2.868  -7.549
  450   HH11  ARG  42          HH11      ARG  42   0.618   3.885  -4.308
  451   HH12  ARG  42          HH12      ARG  42   2.204   4.409  -4.777
  452   HH21  ARG  42          HH21      ARG  42   1.820   3.544  -8.146
  453   HH22  ARG  42          HH22      ARG  42   2.882   4.214  -6.948
  454    HA   PRO  43           HA       PRO  43  -7.284   3.021  -8.905
  455    HB2  PRO  43           HB2      PRO  43  -5.447   4.723 -10.544
  456    HB3  PRO  43           HB1      PRO  43  -7.190   4.464 -10.717
  457    HG2  PRO  43           HG2      PRO  43  -6.343   6.714  -9.652
  458    HG3  PRO  43           HG1      PRO  43  -7.695   5.841  -8.897
  459    HD2  PRO  43           HD2      PRO  43  -4.807   5.940  -8.076
  460    HD3  PRO  43           HD1      PRO  43  -6.296   6.053  -7.057
  461    H    LEU  44           HN       LEU  44  -6.736   1.048  -9.469
  462    HA   LEU  44           HA       LEU  44  -4.081   0.371 -10.334
  463    HB2  LEU  44           HB2      LEU  44  -4.568   0.485  -7.634
  464    HB3  LEU  44           HB1      LEU  44  -4.841  -1.205  -7.991
  465    HG   LEU  44           HG       LEU  44  -2.593  -1.525  -8.687
  466   HD11  LEU  44          HD11      LEU  44  -0.973   0.371  -8.751
  467   HD12  LEU  44          HD12      LEU  44  -2.337   1.479  -8.599
  468   HD13  LEU  44          HD13      LEU  44  -2.199   0.437 -10.014
  469   HD21  LEU  44          HD21      LEU  44  -2.721   0.271  -6.262
  470   HD22  LEU  44          HD22      LEU  44  -1.330  -0.728  -6.702
  471   HD23  LEU  44          HD23      LEU  44  -2.870  -1.489  -6.298
  472    H    THR  45           HN       THR  45  -6.585  -1.422  -8.642
  473    HA   THR  45           HA       THR  45  -7.147  -2.916 -11.103
  474    HB   THR  45           HB       THR  45  -7.478  -4.931  -9.468
  475    HG1  THR  45           HG1      THR  45  -5.426  -4.190  -7.906
  476   HG21  THR  45          HG21      THR  45  -4.713  -3.926 -10.160
  477   HG22  THR  45          HG22      THR  45  -5.764  -4.885 -11.202
  478   HG23  THR  45          HG23      THR  45  -5.119  -5.585  -9.718
  479    H    MET  46           HN       MET  46  -9.142  -4.638  -9.760
  480    HA   MET  46           HA       MET  46 -11.270  -2.684  -9.510
  481    HB2  MET  46           HB2      MET  46 -11.595  -4.923 -10.637
  482    HB3  MET  46           HB1      MET  46 -11.502  -5.667  -9.044
  483    HG2  MET  46           HG2      MET  46 -13.430  -4.304  -8.333
  484    HG3  MET  46           HG1      MET  46 -13.557  -3.677  -9.974
  485    HE1  MET  46           HE1      MET  46 -14.147  -5.176 -12.089
  486    HE2  MET  46           HE2      MET  46 -14.405  -6.918 -12.007
  487    HE3  MET  46           HE3      MET  46 -12.804  -6.249 -11.695
  488    H    LYS  47           HN       LYS  47 -11.286  -5.438  -7.449
  489    HA   LYS  47           HA       LYS  47 -10.402  -3.903  -5.136
  490    HB2  LYS  47           HB2      LYS  47 -12.995  -5.464  -5.206
  491    HB3  LYS  47           HB1      LYS  47 -12.264  -4.797  -3.755
  492    HG2  LYS  47           HG2      LYS  47 -12.460  -2.539  -4.768
  493    HG3  LYS  47           HG1      LYS  47 -13.337  -3.267  -6.112
  494    HD2  LYS  47           HD2      LYS  47 -15.017  -4.108  -4.510
  495    HD3  LYS  47           HD1      LYS  47 -14.156  -3.279  -3.211
  496    HE2  LYS  47           HE2      LYS  47 -15.454  -2.004  -5.616
  497    HE3  LYS  47           HE1      LYS  47 -16.030  -1.937  -3.954
  498    HZ1  LYS  47           HZ1      LYS  47 -14.001  -0.739  -3.360
  499    HZ2  LYS  47           HZ2      LYS  47 -14.895   0.092  -4.526
  500    HZ3  LYS  47           HZ3      LYS  47 -13.504  -0.757  -4.973
  501    H    LYS  48           HN       LYS  48 -11.198  -6.965  -6.642
  502    HA   LYS  48           HA       LYS  48  -8.914  -8.096  -5.181
  503    HB2  LYS  48           HB2      LYS  48 -11.004  -9.194  -4.475
  504    HB3  LYS  48           HB1      LYS  48 -11.377  -9.571  -6.150
  505    HG2  LYS  48           HG2      LYS  48 -10.511 -11.519  -4.984
  506    HG3  LYS  48           HG1      LYS  48  -9.415 -11.018  -6.271
  507    HD2  LYS  48           HD2      LYS  48  -7.970  -9.930  -4.643
  508    HD3  LYS  48           HD1      LYS  48  -9.085 -10.356  -3.344
  509    HE2  LYS  48           HE2      LYS  48  -8.699 -12.733  -3.808
  510    HE3  LYS  48           HE1      LYS  48  -7.577 -12.295  -5.094
  511    HZ1  LYS  48           HZ1      LYS  48  -6.171 -11.224  -3.438
  512    HZ2  LYS  48           HZ2      LYS  48  -6.402 -12.859  -3.080
  513    HZ3  LYS  48           HZ3      LYS  48  -7.241 -11.680  -2.211
  514    H    GLU  49           HN       GLU  49  -7.842  -6.992  -7.006
  515    HA   GLU  49           HA       GLU  49  -6.635  -7.061  -8.915
  516    HB2  GLU  49           HB2      GLU  49  -7.500  -9.957  -8.920
  517    HB3  GLU  49           HB1      GLU  49  -6.308  -9.276 -10.019
  518    HG2  GLU  49           HG2      GLU  49  -4.817  -8.798  -8.218
  519    HG3  GLU  49           HG1      GLU  49  -6.043  -9.224  -7.025
  Start of MODEL    2
    1    H1   MET -18           HT1      MET -18  -0.590 -15.285 -12.768
    2    H2   MET -18           HT2      MET -18   0.388 -14.337 -13.768
    3    H3   MET -18           HT3      MET -18  -1.089 -13.734 -13.216
    4    HA   MET -18           HA       MET -18  -0.297 -13.752 -10.951
    5    HB2  MET -18           HB2      MET -18   2.255 -14.718 -12.253
    6    HB3  MET -18           HB1      MET -18   2.174 -14.094 -10.612
    7    HG2  MET -18           HG2      MET -18   0.694 -16.505 -11.642
    8    HG3  MET -18           HG1      MET -18   2.170 -16.537 -10.680
    9    HE1  MET -18           HE1      MET -18   1.049 -18.145  -8.919
   10    HE2  MET -18           HE2      MET -18  -0.437 -18.153  -9.869
   11    HE3  MET -18           HE3      MET -18  -0.500 -17.824  -8.139
   12    H    ALA -17           HN       ALA -17  -1.002 -11.653 -11.675
   13    HA   ALA -17           HA       ALA -17   0.898  -9.919 -12.985
   14    HB1  ALA -17           HB1      ALA -17  -0.828  -8.208 -12.756
   15    HB2  ALA -17           HB2      ALA -17  -1.773  -9.289 -11.734
   16    HB3  ALA -17           HB3      ALA -17  -1.496  -9.695 -13.427
   17    H    HIS -16           HN       HIS -16  -0.182 -10.598  -9.748
   18    HA   HIS -16           HA       HIS -16   1.343  -8.388  -8.632
   19    HB2  HIS -16           HB2      HIS -16  -0.421 -10.511  -7.420
   20    HB3  HIS -16           HB1      HIS -16   0.594  -9.475  -6.426
   21    HD1  HIS -16           HD1      HIS -16  -2.702  -9.642  -7.872
   22    HD2  HIS -16           HD2      HIS -16  -0.037  -6.614  -6.869
   23    HE1  HIS -16           HE1      HIS -16  -4.081  -7.552  -7.725
   24    HE2  HIS -16           HE2      HIS -16  -2.406  -5.706  -7.354
   25    H    HIS -15           HN       HIS -15   3.283  -8.553  -7.689
   26    HA   HIS -15           HA       HIS -15   5.377  -9.330  -7.326
   27    HB2  HIS -15           HB2      HIS -15   4.103 -10.600  -5.544
   28    HB3  HIS -15           HB1      HIS -15   4.078 -11.973  -6.643
   29    HD1  HIS -15           HD1      HIS -15   6.541  -9.805  -4.759
   30    HD2  HIS -15           HD2      HIS -15   6.334 -13.537  -6.577
   31    HE1  HIS -15           HE1      HIS -15   8.687 -10.966  -4.159
   32    HE2  HIS -15           HE2      HIS -15   8.472 -13.276  -5.140
   33    H    HIS -14           HN       HIS -14   4.740  -9.241  -9.904
   34    HA   HIS -14           HA       HIS -14   5.479 -11.791 -11.127
   35    HB2  HIS -14           HB2      HIS -14   3.538 -10.583 -12.051
   36    HB3  HIS -14           HB1      HIS -14   4.570  -9.203 -12.407
   37    HD1  HIS -14           HD1      HIS -14   5.584  -9.168 -14.676
   38    HD2  HIS -14           HD2      HIS -14   4.341 -12.977 -13.575
   39    HE1  HIS -14           HE1      HIS -14   5.968 -10.611 -16.693
   40    HE2  HIS -14           HE2      HIS -14   5.088 -12.882 -16.050
   41    H    HIS -13           HN       HIS -13   6.526  -8.420 -10.954
   42    HA   HIS -13           HA       HIS -13   9.254  -9.213 -11.533
   43    HB2  HIS -13           HB2      HIS -13   8.153  -8.809 -13.771
   44    HB3  HIS -13           HB1      HIS -13   7.889  -7.144 -13.276
   45    HD1  HIS -13           HD1      HIS -13  10.217  -9.208 -15.052
   46    HD2  HIS -13           HD2      HIS -13  10.508  -5.795 -12.702
   47    HE1  HIS -13           HE1      HIS -13  12.431  -8.178 -15.634
   48    HE2  HIS -13           HE2      HIS -13  12.479  -6.007 -14.362
   49    H    HIS -12           HN       HIS -12   7.281  -6.250 -11.552
   50    HA   HIS -12           HA       HIS -12   8.109  -5.299  -9.045
   51    HB2  HIS -12           HB2      HIS -12  10.306  -5.078 -10.199
   52    HB3  HIS -12           HB1      HIS -12   9.553  -4.020 -11.384
   53    HD1  HIS -12           HD1      HIS -12   9.386  -1.583 -10.804
   54    HD2  HIS -12           HD2      HIS -12  10.442  -3.937  -7.547
   55    HE1  HIS -12           HE1      HIS -12  10.009   0.030  -8.983
   56    HE2  HIS -12           HE2      HIS -12  10.777  -1.416  -7.069
   57    H    HIS -11           HN       HIS -11   5.731  -5.144  -9.353
   58    HA   HIS -11           HA       HIS -11   4.851  -2.904 -10.999
   59    HB2  HIS -11           HB2      HIS -11   3.528  -5.086 -10.739
   60    HB3  HIS -11           HB1      HIS -11   3.122  -4.521  -9.124
   61    HD1  HIS -11           HD1      HIS -11   1.824  -4.540 -12.435
   62    HD2  HIS -11           HD2      HIS -11   1.834  -1.774  -9.331
   63    HE1  HIS -11           HE1      HIS -11  -0.032  -2.931 -12.957
   64    HE2  HIS -11           HE2      HIS -11  -0.087  -1.340 -11.011
   65    H    SER -10           HN       SER -10   5.277  -3.794  -7.636
   66    HA   SER -10           HA       SER -10   4.256  -1.283  -6.655
   67    HB2  SER -10           HB2      SER -10   4.105  -3.418  -5.342
   68    HB3  SER -10           HB1      SER -10   5.861  -3.383  -5.172
   69    HG   SER -10           HG       SER -10   5.622  -2.014  -3.602
   70    H    SER  -9           HN       SER  -9   5.427   0.470  -6.042
   71    HA   SER  -9           HA       SER  -9   8.121   0.639  -7.096
   72    HB2  SER  -9           HB2      SER  -9   7.779   3.100  -6.368
   73    HB3  SER  -9           HB1      SER  -9   6.800   2.485  -7.699
   74    HG   SER  -9           HG       SER  -9   6.011   3.448  -5.308
   75    H    GLY  -8           HN       GLY  -8   7.972  -1.041  -4.896
   76    HA2  GLY  -8           HA2      GLY  -8   9.455  -1.389  -3.111
   77    HA3  GLY  -8           HA1      GLY  -8   9.731   0.347  -3.033
   78    H    LEU  -7           HN       LEU  -7   9.472   0.103  -0.714
   79    HA   LEU  -7           HA       LEU  -7   6.720   0.581   0.005
   80    HB2  LEU  -7           HB2      LEU  -7   6.556  -1.055   1.760
   81    HB3  LEU  -7           HB1      LEU  -7   6.945  -1.865   0.259
   82    HG   LEU  -7           HG       LEU  -7   9.063  -1.231   2.306
   83   HD11  LEU  -7          HD11      LEU  -7   8.802  -3.514   3.122
   84   HD12  LEU  -7          HD12      LEU  -7   7.415  -3.745   2.058
   85   HD13  LEU  -7          HD13      LEU  -7   7.331  -2.578   3.378
   86   HD21  LEU  -7          HD21      LEU  -7  10.231  -3.086   1.192
   87   HD22  LEU  -7          HD22      LEU  -7   9.878  -1.763   0.081
   88   HD23  LEU  -7          HD23      LEU  -7   8.895  -3.226   0.049
   89    H    GLU  -6           HN       GLU  -6   7.239   2.640   0.531
   90    HA   GLU  -6           HA       GLU  -6   8.539   3.061   3.076
   91    HB2  GLU  -6           HB2      GLU  -6  10.452   3.134   1.544
   92    HB3  GLU  -6           HB1      GLU  -6   9.632   4.336   0.559
   93    HG2  GLU  -6           HG2      GLU  -6   9.674   5.887   2.475
   94    HG3  GLU  -6           HG1      GLU  -6  10.579   4.685   3.394
   95    H    VAL  -5           HN       VAL  -5   6.908   4.129   4.019
   96    HA   VAL  -5           HA       VAL  -5   6.039   6.669   2.944
   97    HB   VAL  -5           HB       VAL  -5   4.393   5.505   1.770
   98   HG11  VAL  -5          HG11      VAL  -5   4.079   3.668   4.134
   99   HG12  VAL  -5          HG12      VAL  -5   4.919   3.296   2.628
  100   HG13  VAL  -5          HG13      VAL  -5   3.178   3.570   2.620
  101   HG21  VAL  -5          HG21      VAL  -5   3.168   6.087   4.453
  102   HG22  VAL  -5          HG22      VAL  -5   2.257   5.740   2.983
  103   HG23  VAL  -5          HG23      VAL  -5   3.280   7.175   3.070
  104    H    LEU  -4           HN       LEU  -4   6.755   7.682   4.757
  105    HA   LEU  -4           HA       LEU  -4   5.994   6.683   7.375
  106    HB2  LEU  -4           HB2      LEU  -4   7.467   8.302   8.307
  107    HB3  LEU  -4           HB1      LEU  -4   8.284   7.557   6.951
  108    HG   LEU  -4           HG       LEU  -4   6.892  10.215   6.684
  109   HD11  LEU  -4          HD11      LEU  -4   9.755   9.706   7.481
  110   HD12  LEU  -4          HD12      LEU  -4   8.501  10.416   8.498
  111   HD13  LEU  -4          HD13      LEU  -4   9.063  11.273   7.065
  112   HD21  LEU  -4          HD21      LEU  -4   7.426   9.171   4.587
  113   HD22  LEU  -4          HD22      LEU  -4   9.067   8.821   5.128
  114   HD23  LEU  -4          HD23      LEU  -4   8.564  10.489   4.862
  115    H    PHE  -3           HN       PHE  -3   4.230   8.151   5.244
  116    HA   PHE  -3           HA       PHE  -3   3.296  10.428   6.773
  117    HB2  PHE  -3           HB2      PHE  -3   1.806   9.356   4.412
  118    HB3  PHE  -3           HB1      PHE  -3   2.032  11.024   4.920
  119    HD1  PHE  -3           HD1      PHE  -3   4.705  11.617   4.979
  120    HD2  PHE  -3           HD2      PHE  -3   2.775   8.851   2.388
  121    HE1  PHE  -3           HE1      PHE  -3   6.505  11.914   3.337
  122    HE2  PHE  -3           HE2      PHE  -3   4.581   9.138   0.738
  123    HZ   PHE  -3           HZ       PHE  -3   6.425  10.549   1.172
  124    H    GLN  -2           HN       GLN  -2   3.094   7.711   7.879
  125    HA   GLN  -2           HA       GLN  -2   0.456   7.859   8.913
  126    HB2  GLN  -2           HB2      GLN  -2  -0.140   6.812   6.792
  127    HB3  GLN  -2           HB1      GLN  -2   1.080   5.566   7.037
  128    HG2  GLN  -2           HG2      GLN  -2  -1.165   4.737   7.505
  129    HG3  GLN  -2           HG1      GLN  -2  -0.140   4.685   8.934
  130   HE21  GLN  -2          HE21      GLN  -2  -2.940   6.068   7.461
  131   HE22  GLN  -2          HE22      GLN  -2  -3.524   6.900   8.861
  132    H    GLY  -1           HN       GLY  -1   2.562   5.012   8.329
  133    HA2  GLY  -1           HA2      GLY  -1   4.415   4.798  10.010
  134    HA3  GLY  -1           HA1      GLY  -1   3.176   5.085  11.213
  135    HA   PRO   0           HA       PRO   0   2.549   1.031  12.169
  136    HB2  PRO   0           HB2      PRO   0  -0.131   0.502  11.869
  137    HB3  PRO   0           HB1      PRO   0   0.571   1.430  13.198
  138    HG2  PRO   0           HG2      PRO   0  -0.675   2.415  10.655
  139    HG3  PRO   0           HG1      PRO   0  -0.918   2.994  12.317
  140    HD2  PRO   0           HD2      PRO   0   0.688   4.316  10.668
  141    HD3  PRO   0           HD1      PRO   0   1.148   4.083  12.367
  142    H    ARG   1           HN       ARG   1   1.695  -1.122  11.735
  143    HA   ARG   1           HA       ARG   1   1.092  -1.836   8.979
  144    HB2  ARG   1           HB2      ARG   1   2.846  -3.729   9.242
  145    HB3  ARG   1           HB1      ARG   1   3.416  -2.124   8.813
  146    HG2  ARG   1           HG2      ARG   1   4.011  -1.715  11.154
  147    HG3  ARG   1           HG1      ARG   1   3.458  -3.338  11.569
  148    HD2  ARG   1           HD2      ARG   1   5.629  -2.766   9.561
  149    HD3  ARG   1           HD1      ARG   1   5.934  -3.101  11.263
  150    HE   ARG   1           HE       ARG   1   4.414  -5.201  10.438
  151   HH11  ARG   1          HH11      ARG   1   7.423  -3.783   9.360
  152   HH12  ARG   1          HH12      ARG   1   8.067  -5.278   8.764
  153   HH21  ARG   1          HH21      ARG   1   5.260  -7.186   9.674
  154   HH22  ARG   1          HH22      ARG   1   6.832  -7.220   8.942
  155    H    ARG   2           HN       ARG   2   0.903  -4.546   9.140
  156    HA   ARG   2           HA       ARG   2  -0.256  -5.309  11.663
  157    HB2  ARG   2           HB2      ARG   2  -2.042  -3.890  10.399
  158    HB3  ARG   2           HB1      ARG   2  -2.202  -5.311   9.388
  159    HG2  ARG   2           HG2      ARG   2  -2.774  -6.671  11.290
  160    HG3  ARG   2           HG1      ARG   2  -2.539  -5.284  12.338
  161    HD2  ARG   2           HD2      ARG   2  -4.393  -4.131  11.343
  162    HD3  ARG   2           HD1      ARG   2  -4.570  -5.397  10.129
  163    HE   ARG   2           HE       ARG   2  -4.782  -6.485  12.736
  164   HH11  ARG   2          HH11      ARG   2  -6.583  -4.538  10.449
  165   HH12  ARG   2          HH12      ARG   2  -8.130  -5.074  11.018
  166   HH21  ARG   2          HH21      ARG   2  -6.816  -7.176  13.497
  167   HH22  ARG   2          HH22      ARG   2  -8.263  -6.576  12.751
  168    H    ALA   3           HN       ALA   3   1.667  -6.216   9.504
  169    HA   ALA   3           HA       ALA   3   2.553  -8.199   8.845
  170    HB1  ALA   3           HB1      ALA   3   2.090 -10.159  10.166
  171    HB2  ALA   3           HB2      ALA   3   0.627  -9.414  10.810
  172    HB3  ALA   3           HB3      ALA   3   2.208  -8.741  11.206
  173    H    GLY   4           HN       GLY   4  -0.596  -9.724   9.417
  174    HA2  GLY   4           HA2      GLY   4  -0.552 -10.487   6.551
  175    HA3  GLY   4           HA1      GLY   4  -0.935 -11.606   7.844
  176    H    THR   5           HN       THR   5  -2.069  -8.368   6.819
  177    HA   THR   5           HA       THR   5  -4.817  -9.246   7.411
  178    HB   THR   5           HB       THR   5  -4.023  -6.390   6.841
  179    HG1  THR   5           HG1      THR   5  -3.114  -7.986   8.890
  180   HG21  THR   5          HG21      THR   5  -6.408  -6.818   7.203
  181   HG22  THR   5          HG22      THR   5  -5.757  -5.968   8.602
  182   HG23  THR   5          HG23      THR   5  -6.057  -7.695   8.692
  183    H    CYS   6           HN       CYS   6  -6.338  -7.647   5.891
  184    HA   CYS   6           HA       CYS   6  -5.432  -8.055   3.128
  185    HB2  CYS   6           HB2      CYS   6  -8.093  -7.845   2.835
  186    HB3  CYS   6           HB1      CYS   6  -7.277  -9.358   3.153
  187    HG   CYS   6           HG       CYS   6  -9.738  -8.206   4.763
  188    H    CYS   7           HN       CYS   7  -5.998  -6.487   1.559
  189    HA   CYS   7           HA       CYS   7  -5.762  -3.847   2.699
  190    HB2  CYS   7           HB2      CYS   7  -4.314  -4.595   0.829
  191    HB3  CYS   7           HB1      CYS   7  -5.704  -4.611  -0.203
  192    H    ALA   8           HN       ALA   8  -7.368  -2.481   3.025
  193    HA   ALA   8           HA       ALA   8 -10.050  -2.893   2.445
  194    HB1  ALA   8           HB1      ALA   8  -9.190  -1.449   4.248
  195    HB2  ALA   8           HB2      ALA   8 -10.412  -0.662   3.248
  196    HB3  ALA   8           HB3      ALA   8  -8.709  -0.268   3.019
  197    H    ASN   9           HN       ASN   9  -8.368  -2.872  -0.012
  198    HA   ASN   9           HA       ASN   9  -9.997  -1.157  -1.633
  199    HB2  ASN   9           HB2      ASN   9  -8.383   0.489  -0.854
  200    HB3  ASN   9           HB1      ASN   9  -7.033  -0.565  -1.389
  201   HD21  ASN   9          HD21      ASN   9  -6.138   0.243  -3.121
  202   HD22  ASN   9          HD22      ASN   9  -6.955   0.937  -4.472
  203    H    CYS  10           HN       CYS  10  -7.017  -3.176  -1.546
  204    HA   CYS  10           HA       CYS  10  -7.876  -4.105  -4.207
  205    HB2  CYS  10           HB2      CYS  10  -5.650  -4.127  -5.023
  206    HB3  CYS  10           HB1      CYS  10  -5.881  -2.556  -4.223
  207    H    GLN  11           HN       GLN  11  -7.934  -5.081  -1.273
  208    HA   GLN  11           HA       GLN  11  -7.641  -6.932   0.008
  209    HB2  GLN  11           HB2      GLN  11  -8.979  -7.738  -2.525
  210    HB3  GLN  11           HB1      GLN  11  -8.634  -8.962  -1.314
  211    HG2  GLN  11           HG2      GLN  11 -10.783  -8.310  -0.794
  212    HG3  GLN  11           HG1      GLN  11  -9.814  -7.351   0.319
  213   HE21  GLN  11          HE21      GLN  11 -11.876  -7.323  -2.435
  214   HE22  GLN  11          HE22      GLN  11 -12.082  -5.608  -2.533
  215    H    THR  12           HN       THR  12  -5.166  -6.549  -1.927
  216    HA   THR  12           HA       THR  12  -4.029  -9.096  -1.981
  217    HB   THR  12           HB       THR  12  -2.984  -7.022  -3.019
  218    HG1  THR  12           HG1      THR  12  -1.590  -8.669  -3.053
  219   HG21  THR  12          HG21      THR  12  -3.147  -5.539  -1.042
  220   HG22  THR  12          HG22      THR  12  -1.476  -5.690  -1.602
  221   HG23  THR  12          HG23      THR  12  -2.012  -6.585  -0.180
  222    H    THR  13           HN       THR  13  -2.740 -10.132  -0.495
  223    HA   THR  13           HA       THR  13  -2.865  -9.122   2.260
  224    HB   THR  13           HB       THR  13  -2.884 -11.575   2.957
  225    HG1  THR  13           HG1      THR  13  -2.909 -13.002   1.398
  226   HG21  THR  13          HG21      THR  13  -5.304 -11.719   2.793
  227   HG22  THR  13          HG22      THR  13  -5.306 -10.525   1.493
  228   HG23  THR  13          HG23      THR  13  -4.822 -10.050   3.123
  229    H    THR  14           HN       THR  14  -1.007  -9.635  -0.257
  230    HA   THR  14           HA       THR  14   1.326 -10.553   1.199
  231    HB   THR  14           HB       THR  14   1.694  -9.702  -1.580
  232    HG1  THR  14           HG1      THR  14  -0.031 -10.638  -2.372
  233   HG21  THR  14          HG21      THR  14   2.028 -12.351  -0.198
  234   HG22  THR  14          HG22      THR  14   3.259 -11.086  -0.286
  235   HG23  THR  14          HG23      THR  14   2.709 -11.893  -1.757
  236    H    THR  15           HN       THR  15   1.340  -8.638   2.548
  237    HA   THR  15           HA       THR  15   2.747  -6.448   1.282
  238    HB   THR  15           HB       THR  15   0.128  -5.817   2.696
  239    HG1  THR  15           HG1      THR  15   0.652  -6.486   0.152
  240   HG21  THR  15          HG21      THR  15   1.708  -4.104   3.125
  241   HG22  THR  15          HG22      THR  15   0.668  -3.529   1.827
  242   HG23  THR  15          HG23      THR  15   2.286  -4.123   1.461
  243    H    THR  16           HN       THR  16   4.145  -5.459   2.661
  244    HA   THR  16           HA       THR  16   4.263  -6.551   5.364
  245    HB   THR  16           HB       THR  16   6.383  -4.860   4.044
  246    HG1  THR  16           HG1      THR  16   7.259  -7.018   3.453
  247   HG21  THR  16          HG21      THR  16   6.518  -7.059   6.117
  248   HG22  THR  16          HG22      THR  16   6.632  -5.330   6.448
  249   HG23  THR  16          HG23      THR  16   7.885  -6.130   5.499
  250    H    LEU  17           HN       LEU  17   3.096  -3.777   3.854
  251    HA   LEU  17           HA       LEU  17   3.549  -2.189   6.351
  252    HB2  LEU  17           HB2      LEU  17   4.856  -1.474   4.101
  253    HB3  LEU  17           HB1      LEU  17   3.327  -0.690   3.786
  254    HG   LEU  17           HG       LEU  17   3.506   0.712   5.683
  255   HD11  LEU  17          HD11      LEU  17   5.784  -1.078   6.524
  256   HD12  LEU  17          HD12      LEU  17   4.269  -0.780   7.378
  257   HD13  LEU  17          HD13      LEU  17   5.474   0.498   7.248
  258   HD21  LEU  17          HD21      LEU  17   6.227   0.466   4.399
  259   HD22  LEU  17          HD22      LEU  17   5.672   1.838   5.357
  260   HD23  LEU  17          HD23      LEU  17   4.879   1.455   3.829
  261    H    TRP  18           HN       TRP  18   1.507  -2.715   7.083
  262    HA   TRP  18           HA       TRP  18  -0.790  -2.022   5.527
  263    HB2  TRP  18           HB2      TRP  18  -0.617  -3.235   8.265
  264    HB3  TRP  18           HB1      TRP  18  -2.082  -2.985   7.402
  265    HD1  TRP  18           HD1      TRP  18   0.785  -5.375   7.645
  266    HE1  TRP  18           HE1      TRP  18   0.369  -7.346   6.109
  267    HE3  TRP  18           HE3      TRP  18  -3.191  -3.576   4.990
  268    HZ2  TRP  18           HZ2      TRP  18  -1.371  -8.103   4.077
  269    HZ3  TRP  18           HZ3      TRP  18  -4.225  -5.013   3.272
  270    HH2  TRP  18           HH2      TRP  18  -3.330  -7.211   2.791
  271    H    ARG  19           HN       ARG  19  -0.909   0.138   5.384
  272    HA   ARG  19           HA       ARG  19  -0.929   1.857   7.788
  273    HB2  ARG  19           HB2      ARG  19  -1.811   3.192   5.370
  274    HB3  ARG  19           HB1      ARG  19  -0.330   3.437   6.284
  275    HG2  ARG  19           HG2      ARG  19   0.334   1.191   5.032
  276    HG3  ARG  19           HG1      ARG  19  -0.809   1.822   3.868
  277    HD2  ARG  19           HD2      ARG  19   1.499   2.491   3.378
  278    HD3  ARG  19           HD1      ARG  19   0.434   3.860   3.656
  279    HE   ARG  19           HE       ARG  19   2.175   4.482   4.997
  280   HH11  ARG  19          HH11      ARG  19   1.321   1.218   6.097
  281   HH12  ARG  19          HH12      ARG  19   2.476   1.249   7.376
  282   HH21  ARG  19          HH21      ARG  19   3.731   4.406   6.630
  283   HH22  ARG  19          HH22      ARG  19   3.849   3.007   7.655
  284    H    ARG  20           HN       ARG  20  -2.845   3.472   7.913
  285    HA   ARG  20           HA       ARG  20  -5.343   2.025   7.501
  286    HB2  ARG  20           HB2      ARG  20  -4.610   4.361   9.252
  287    HB3  ARG  20           HB1      ARG  20  -6.267   3.886   8.979
  288    HG2  ARG  20           HG2      ARG  20  -4.202   2.660  10.645
  289    HG3  ARG  20           HG1      ARG  20  -5.951   2.739  10.837
  290    HD2  ARG  20           HD2      ARG  20  -6.235   0.962   9.207
  291    HD3  ARG  20           HD1      ARG  20  -4.489   0.886   8.967
  292    HE   ARG  20           HE       ARG  20  -5.956   0.050  11.372
  293   HH11  ARG  20          HH11      ARG  20  -2.991   0.133   9.506
  294   HH12  ARG  20          HH12      ARG  20  -2.159  -0.977  10.539
  295   HH21  ARG  20          HH21      ARG  20  -4.870  -1.413  12.729
  296   HH22  ARG  20          HH22      ARG  20  -3.227  -1.853  12.391
  297    H    ASN  21           HN       ASN  21  -7.052   2.906   6.411
  298    HA   ASN  21           HA       ASN  21  -6.487   5.227   4.738
  299    HB2  ASN  21           HB2      ASN  21  -8.437   4.711   3.443
  300    HB3  ASN  21           HB1      ASN  21  -7.614   3.155   3.752
  301   HD21  ASN  21          HD21      ASN  21  -9.922   2.591   3.031
  302   HD22  ASN  21          HD22      ASN  21 -11.083   2.403   4.273
  303    H    ALA  22           HN       ALA  22  -9.171   6.331   4.543
  304    HA   ALA  22           HA       ALA  22  -8.853   8.300   6.471
  305    HB1  ALA  22           HB1      ALA  22 -10.050   8.577   4.343
  306    HB2  ALA  22           HB2      ALA  22 -10.968   9.178   5.723
  307    HB3  ALA  22           HB3      ALA  22 -11.386   7.630   4.992
  308    H    ASN  23           HN       ASN  23 -10.635   5.292   6.778
  309    HA   ASN  23           HA       ASN  23 -12.023   6.361   9.127
  310    HB2  ASN  23           HB2      ASN  23 -13.380   5.403   7.203
  311    HB3  ASN  23           HB1      ASN  23 -12.719   3.864   7.661
  312   HD21  ASN  23          HD21      ASN  23 -14.859   6.392   8.543
  313   HD22  ASN  23          HD22      ASN  23 -15.678   5.522   9.782
  314    H    GLY  24           HN       GLY  24  -9.311   4.896   8.361
  315    HA2  GLY  24           HA2      GLY  24  -7.801   3.986   9.896
  316    HA3  GLY  24           HA1      GLY  24  -9.151   3.600  10.941
  317    H    ASP  25           HN       ASP  25  -9.166   2.757   7.568
  318    HA   ASP  25           HA       ASP  25  -9.292  -0.046   8.397
  319    HB2  ASP  25           HB2      ASP  25 -10.824   1.229   6.566
  320    HB3  ASP  25           HB1      ASP  25  -9.595   0.514   5.518
  321    HA   PRO  26           HA       PRO  26  -5.197  -0.971   7.263
  322    HB2  PRO  26           HB2      PRO  26  -5.661  -3.613   6.465
  323    HB3  PRO  26           HB1      PRO  26  -5.374  -3.065   8.144
  324    HG2  PRO  26           HG2      PRO  26  -7.909  -3.769   6.761
  325    HG3  PRO  26           HG1      PRO  26  -7.471  -3.925   8.482
  326    HD2  PRO  26           HD2      PRO  26  -9.128  -1.948   7.517
  327    HD3  PRO  26           HD1      PRO  26  -8.131  -1.769   8.966
  328    H    VAL  27           HN       VAL  27  -4.015  -0.619   5.490
  329    HA   VAL  27           HA       VAL  27  -5.033  -1.565   2.890
  330    HB   VAL  27           HB       VAL  27  -3.972   0.616   1.852
  331   HG11  VAL  27          HG11      VAL  27  -6.144   1.604   1.579
  332   HG12  VAL  27          HG12      VAL  27  -6.770   0.690   2.949
  333   HG13  VAL  27          HG13      VAL  27  -6.281  -0.154   1.475
  334   HG21  VAL  27          HG21      VAL  27  -3.367   1.773   3.871
  335   HG22  VAL  27          HG22      VAL  27  -5.017   1.666   4.469
  336   HG23  VAL  27          HG23      VAL  27  -4.650   2.645   3.050
  337    H    CYS  28           HN       CYS  28  -3.439  -2.064   1.416
  338    HA   CYS  28           HA       CYS  28  -0.955  -2.840   2.525
  339    HB2  CYS  28           HB2      CYS  28  -0.706  -3.929   0.418
  340    HB3  CYS  28           HB1      CYS  28  -2.434  -3.771   0.577
  341    H    ASN  29           HN       ASN  29   1.227  -2.057   1.288
  342    HA   ASN  29           HA       ASN  29   1.572   0.524   2.138
  343    HB2  ASN  29           HB2      ASN  29   3.430  -1.077   1.852
  344    HB3  ASN  29           HB1      ASN  29   3.354  -0.852   0.091
  345   HD21  ASN  29          HD21      ASN  29   2.859   2.024   0.199
  346   HD22  ASN  29          HD22      ASN  29   4.349   2.710   0.677
  347    H    ALA  30           HN       ALA  30   1.291  -0.402  -1.321
  348    HA   ALA  30           HA       ALA  30   1.522   2.144  -2.329
  349    HB1  ALA  30           HB1      ALA  30   0.396   1.423  -4.307
  350    HB2  ALA  30           HB2      ALA  30  -0.232   0.003  -3.468
  351    HB3  ALA  30           HB3      ALA  30   1.503   0.171  -3.742
  352    H    CYS  31           HN       CYS  31  -1.487   0.547  -1.299
  353    HA   CYS  31           HA       CYS  31  -3.174   2.683  -2.089
  354    HB2  CYS  31           HB2      CYS  31  -3.673   0.457  -0.169
  355    HB3  CYS  31           HB1      CYS  31  -4.905   1.512  -0.801
  356    H    GLY  32           HN       GLY  32  -1.633   1.895   1.004
  357    HA2  GLY  32           HA2      GLY  32  -2.796   4.202   2.315
  358    HA3  GLY  32           HA1      GLY  32  -1.434   3.228   2.929
  359    H    LEU  33           HN       LEU  33   0.184   3.591   0.544
  360    HA   LEU  33           HA       LEU  33   1.499   6.004   1.300
  361    HB2  LEU  33           HB2      LEU  33   2.650   4.024   0.326
  362    HB3  LEU  33           HB1      LEU  33   1.917   4.383  -1.207
  363    HG   LEU  33           HG       LEU  33   3.524   6.540  -0.010
  364   HD11  LEU  33          HD11      LEU  33   4.826   4.397   0.371
  365   HD12  LEU  33          HD12      LEU  33   5.607   5.579  -0.675
  366   HD13  LEU  33          HD13      LEU  33   4.807   4.175  -1.378
  367   HD21  LEU  33          HD21      LEU  33   2.374   6.723  -2.162
  368   HD22  LEU  33          HD22      LEU  33   3.278   5.328  -2.747
  369   HD23  LEU  33          HD23      LEU  33   4.124   6.824  -2.347
  370    H    TYR  34           HN       TYR  34  -0.553   5.027  -1.429
  371    HA   TYR  34           HA       TYR  34  -0.073   7.424  -2.783
  372    HB2  TYR  34           HB2      TYR  34  -0.668   5.449  -4.026
  373    HB3  TYR  34           HB1      TYR  34  -2.182   5.302  -3.151
  374    HD1  TYR  34           HD1      TYR  34  -4.014   6.874  -3.556
  375    HD2  TYR  34           HD2      TYR  34  -0.492   6.851  -5.926
  376    HE1  TYR  34           HE1      TYR  34  -5.201   8.076  -5.328
  377    HE2  TYR  34           HE2      TYR  34  -1.665   8.077  -7.703
  378    HH   TYR  34           HH       TYR  34  -4.738   9.519  -7.225
  379    H    TYR  35           HN       TYR  35  -2.658   6.260  -0.722
  380    HA   TYR  35           HA       TYR  35  -4.402   8.437  -0.981
  381    HB2  TYR  35           HB2      TYR  35  -5.030   6.316   0.130
  382    HB3  TYR  35           HB1      TYR  35  -3.920   6.689   1.437
  383    HD1  TYR  35           HD1      TYR  35  -7.015   7.824  -0.207
  384    HD2  TYR  35           HD2      TYR  35  -4.523   8.039   3.195
  385    HE1  TYR  35           HE1      TYR  35  -8.788   8.971   1.011
  386    HE2  TYR  35           HE2      TYR  35  -6.265   9.160   4.456
  387    HH   TYR  35           HH       TYR  35  -9.501   9.404   3.283
  388    H    LYS  36           HN       LYS  36  -1.416   8.088   0.703
  389    HA   LYS  36           HA       LYS  36  -1.898  10.222   2.546
  390    HB2  LYS  36           HB2      LYS  36   0.403   8.476   1.818
  391    HB3  LYS  36           HB1      LYS  36   0.694   9.942   2.742
  392    HG2  LYS  36           HG2      LYS  36   0.161   7.588   3.890
  393    HG3  LYS  36           HG1      LYS  36  -0.207   9.127   4.619
  394    HD2  LYS  36           HD2      LYS  36  -2.511   8.874   3.485
  395    HD3  LYS  36           HD1      LYS  36  -2.055   7.182   3.306
  396    HE2  LYS  36           HE2      LYS  36  -3.371   7.547   5.324
  397    HE3  LYS  36           HE1      LYS  36  -1.742   6.993   5.703
  398    HZ1  LYS  36           HZ1      LYS  36  -2.510   8.825   7.137
  399    HZ2  LYS  36           HZ2      LYS  36  -2.610   9.829   5.782
  400    HZ3  LYS  36           HZ3      LYS  36  -1.109   9.227   6.274
  401    H    LEU  37           HN       LEU  37  -0.531   9.802  -0.572
  402    HA   LEU  37           HA       LEU  37   0.616  12.432  -0.692
  403    HB2  LEU  37           HB2      LEU  37   0.004  10.785  -3.124
  404    HB3  LEU  37           HB1      LEU  37   1.356  11.875  -2.828
  405    HG   LEU  37           HG       LEU  37   1.044   9.253  -1.403
  406   HD11  LEU  37          HD11      LEU  37   1.117   8.719  -3.738
  407   HD12  LEU  37          HD12      LEU  37   2.696   8.380  -3.033
  408   HD13  LEU  37          HD13      LEU  37   2.457   9.836  -3.995
  409   HD21  LEU  37          HD21      LEU  37   2.579  10.883  -0.399
  410   HD22  LEU  37          HD22      LEU  37   3.445  10.992  -1.935
  411   HD23  LEU  37          HD23      LEU  37   3.432   9.474  -1.035
  412    H    HIS  38           HN       HIS  38  -2.337  10.804  -1.730
  413    HA   HIS  38           HA       HIS  38  -3.052  13.200  -3.288
  414    HB2  HIS  38           HB2      HIS  38  -3.244  10.289  -4.007
  415    HB3  HIS  38           HB1      HIS  38  -4.122  11.527  -4.885
  416    HD1  HIS  38           HD1      HIS  38  -2.023   9.940  -6.416
  417    HD2  HIS  38           HD2      HIS  38  -1.140  13.436  -4.362
  418    HE1  HIS  38           HE1      HIS  38   0.153  10.757  -7.369
  419    HE2  HIS  38           HE2      HIS  38   0.679  12.857  -6.098
  420    H    ASN  39           HN       ASN  39  -4.017  11.563  -0.656
  421    HA   ASN  39           HA       ASN  39  -5.931  11.605   0.612
  422    HB2  ASN  39           HB2      ASN  39  -7.036  13.413  -1.490
  423    HB3  ASN  39           HB1      ASN  39  -7.620  13.230   0.145
  424   HD21  ASN  39          HD21      ASN  39  -7.027  15.839  -0.594
  425   HD22  ASN  39          HD22      ASN  39  -5.553  16.329   0.158
  426    H    VAL  40           HN       VAL  40  -5.696   9.864  -1.928
  427    HA   VAL  40           HA       VAL  40  -8.399   8.863  -1.652
  428    HB   VAL  40           HB       VAL  40  -8.302   8.389  -4.277
  429   HG11  VAL  40          HG11      VAL  40 -10.164   9.348  -3.077
  430   HG12  VAL  40          HG12      VAL  40  -9.858  10.235  -4.568
  431   HG13  VAL  40          HG13      VAL  40  -9.347  10.909  -3.021
  432   HG21  VAL  40          HG21      VAL  40  -6.241   9.716  -4.600
  433   HG22  VAL  40          HG22      VAL  40  -7.111  11.148  -4.047
  434   HG23  VAL  40          HG23      VAL  40  -7.608  10.320  -5.525
  435    H    ASN  41           HN       ASN  41  -8.653   6.701  -2.635
  436    HA   ASN  41           HA       ASN  41  -6.490   5.089  -1.780
  437    HB2  ASN  41           HB2      ASN  41  -9.134   4.515  -3.054
  438    HB3  ASN  41           HB1      ASN  41  -7.904   3.271  -3.070
  439   HD21  ASN  41          HD21      ASN  41  -9.990   5.186  -1.106
  440   HD22  ASN  41          HD22      ASN  41  -9.827   4.257   0.342
  441    H    ARG  42           HN       ARG  42  -5.496   3.378  -3.191
  442    HA   ARG  42           HA       ARG  42  -4.304   4.757  -5.423
  443    HB2  ARG  42           HB2      ARG  42  -2.837   3.564  -3.929
  444    HB3  ARG  42           HB1      ARG  42  -3.723   2.068  -4.170
  445    HG2  ARG  42           HG2      ARG  42  -1.685   1.967  -5.415
  446    HG3  ARG  42           HG1      ARG  42  -3.030   2.088  -6.549
  447    HD2  ARG  42           HD2      ARG  42  -2.600   4.485  -6.794
  448    HD3  ARG  42           HD1      ARG  42  -1.257   4.359  -5.662
  449    HE   ARG  42           HE       ARG  42  -1.252   2.840  -8.182
  450   HH11  ARG  42          HH11      ARG  42   0.230   5.172  -6.030
  451   HH12  ARG  42          HH12      ARG  42   1.692   5.286  -6.945
  452   HH21  ARG  42          HH21      ARG  42   0.679   3.003  -9.405
  453   HH22  ARG  42          HH22      ARG  42   1.945   4.061  -8.868
  454    HA   PRO  43           HA       PRO  43  -6.936   2.589  -8.464
  455    HB2  PRO  43           HB2      PRO  43  -4.948   4.103 -10.114
  456    HB3  PRO  43           HB1      PRO  43  -6.691   3.908 -10.358
  457    HG2  PRO  43           HG2      PRO  43  -5.798   6.194  -9.413
  458    HG3  PRO  43           HG1      PRO  43  -7.220   5.432  -8.667
  459    HD2  PRO  43           HD2      PRO  43  -4.368   5.453  -7.712
  460    HD3  PRO  43           HD1      PRO  43  -5.893   5.731  -6.780
  461    H    LEU  44           HN       LEU  44  -6.377   0.555  -8.822
  462    HA   LEU  44           HA       LEU  44  -3.641  -0.172  -9.328
  463    HB2  LEU  44           HB2      LEU  44  -4.202   0.203  -6.777
  464    HB3  LEU  44           HB1      LEU  44  -4.870  -1.407  -6.915
  465    HG   LEU  44           HG       LEU  44  -2.736  -2.349  -7.413
  466   HD11  LEU  44          HD11      LEU  44  -0.708  -0.925  -7.566
  467   HD12  LEU  44          HD12      LEU  44  -1.751   0.497  -7.597
  468   HD13  LEU  44          HD13      LEU  44  -1.831  -0.686  -8.901
  469   HD21  LEU  44          HD21      LEU  44  -3.088  -2.000  -5.077
  470   HD22  LEU  44          HD22      LEU  44  -2.621  -0.300  -5.197
  471   HD23  LEU  44          HD23      LEU  44  -1.413  -1.573  -5.426
  472    H    THR  45           HN       THR  45  -6.360  -1.896  -7.889
  473    HA   THR  45           HA       THR  45  -6.657  -3.414 -10.368
  474    HB   THR  45           HB       THR  45  -6.920  -5.522  -8.934
  475    HG1  THR  45           HG1      THR  45  -6.976  -4.758  -6.877
  476   HG21  THR  45          HG21      THR  45  -4.174  -4.275  -9.080
  477   HG22  THR  45          HG22      THR  45  -4.980  -5.146 -10.385
  478   HG23  THR  45          HG23      THR  45  -4.528  -5.992  -8.907
  479    H    MET  46           HN       MET  46  -8.570  -5.298  -9.264
  480    HA   MET  46           HA       MET  46 -10.803  -3.470  -8.713
  481    HB2  MET  46           HB2      MET  46 -10.688  -5.411 -10.544
  482    HB3  MET  46           HB1      MET  46 -11.170  -6.404  -9.176
  483    HG2  MET  46           HG2      MET  46 -13.103  -5.725 -10.446
  484    HG3  MET  46           HG1      MET  46 -13.136  -4.989  -8.845
  485    HE1  MET  46           HE1      MET  46 -14.948  -4.059 -11.278
  486    HE2  MET  46           HE2      MET  46 -14.834  -2.305 -11.149
  487    HE3  MET  46           HE3      MET  46 -15.010  -3.285  -9.694
  488    H    LYS  47           HN       LYS  47 -12.400  -5.589  -7.435
  489    HA   LYS  47           HA       LYS  47 -11.176  -5.539  -4.813
  490    HB2  LYS  47           HB2      LYS  47 -13.813  -6.684  -5.752
  491    HB3  LYS  47           HB1      LYS  47 -13.270  -6.680  -4.079
  492    HG2  LYS  47           HG2      LYS  47 -13.091  -4.156  -4.305
  493    HG3  LYS  47           HG1      LYS  47 -14.000  -4.337  -5.807
  494    HD2  LYS  47           HD2      LYS  47 -15.829  -5.390  -4.593
  495    HD3  LYS  47           HD1      LYS  47 -14.914  -5.280  -3.087
  496    HE2  LYS  47           HE2      LYS  47 -14.884  -2.803  -3.373
  497    HE3  LYS  47           HE1      LYS  47 -15.958  -3.000  -4.756
  498    HZ1  LYS  47           HZ1      LYS  47 -17.566  -4.072  -3.261
  499    HZ2  LYS  47           HZ2      LYS  47 -17.234  -2.478  -2.815
  500    HZ3  LYS  47           HZ3      LYS  47 -16.546  -3.755  -1.946
  501    H    LYS  48           HN       LYS  48 -11.779  -7.766  -7.409
  502    HA   LYS  48           HA       LYS  48 -10.067  -9.716  -6.033
  503    HB2  LYS  48           HB2      LYS  48 -12.418 -10.519  -6.173
  504    HB3  LYS  48           HB1      LYS  48 -12.338 -10.368  -7.923
  505    HG2  LYS  48           HG2      LYS  48 -10.548 -12.037  -7.983
  506    HG3  LYS  48           HG1      LYS  48 -10.644 -12.196  -6.229
  507    HD2  LYS  48           HD2      LYS  48 -11.862 -14.001  -7.294
  508    HD3  LYS  48           HD1      LYS  48 -12.983 -12.934  -6.445
  509    HE2  LYS  48           HE2      LYS  48 -13.608 -11.873  -8.525
  510    HE3  LYS  48           HE1      LYS  48 -12.400 -12.811  -9.402
  511    HZ1  LYS  48           HZ1      LYS  48 -14.754 -13.937  -7.987
  512    HZ2  LYS  48           HZ2      LYS  48 -13.606 -14.821  -8.856
  513    HZ3  LYS  48           HZ3      LYS  48 -14.619 -13.734  -9.661
  514    H    GLU  49           HN       GLU  49  -8.296  -8.720  -7.043
  515    HA   GLU  49           HA       GLU  49  -6.689  -8.447  -8.610
  516    HB2  GLU  49           HB2      GLU  49  -8.131 -10.748  -9.938
  517    HB3  GLU  49           HB1      GLU  49  -6.534 -10.167 -10.391
  518    HG2  GLU  49           HG2      GLU  49  -7.267 -11.284  -7.695
  519    HG3  GLU  49           HG1      GLU  49  -6.467 -12.180  -8.984
  Start of MODEL    3
    1    H1   MET -18           HT1      MET -18  11.467  12.427  -5.914
    2    H2   MET -18           HT2      MET -18  11.928  13.982  -5.445
    3    H3   MET -18           HT3      MET -18  13.085  12.895  -6.026
    4    HA   MET -18           HA       MET -18  10.833  13.989  -7.591
    5    HB2  MET -18           HB2      MET -18  13.773  14.677  -7.564
    6    HB3  MET -18           HB1      MET -18  12.681  15.148  -8.859
    7    HG2  MET -18           HG2      MET -18  12.416  15.943  -5.969
    8    HG3  MET -18           HG1      MET -18  13.049  16.958  -7.262
    9    HE1  MET -18           HE1      MET -18  10.702  17.900  -5.334
   10    HE2  MET -18           HE2      MET -18   9.612  18.646  -6.502
   11    HE3  MET -18           HE3      MET -18  11.354  18.877  -6.649
   12    H    ALA -17           HN       ALA -17  10.453  11.680  -8.029
   13    HA   ALA -17           HA       ALA -17  12.308  10.666 -10.079
   14    HB1  ALA -17           HB1      ALA -17  12.556   9.362  -8.037
   15    HB2  ALA -17           HB2      ALA -17  11.827   8.389  -9.313
   16    HB3  ALA -17           HB3      ALA -17  10.823   9.039  -8.020
   17    H    HIS -16           HN       HIS -16  10.285  12.235 -10.875
   18    HA   HIS -16           HA       HIS -16   7.812  11.034 -11.366
   19    HB2  HIS -16           HB2      HIS -16   7.548  12.703 -13.184
   20    HB3  HIS -16           HB1      HIS -16   8.092  13.416 -11.675
   21    HD1  HIS -16           HD1      HIS -16   9.004  12.999 -15.225
   22    HD2  HIS -16           HD2      HIS -16  10.829  14.303 -11.724
   23    HE1  HIS -16           HE1      HIS -16  11.068  14.230 -15.956
   24    HE2  HIS -16           HE2      HIS -16  12.047  15.166 -13.837
   25    H    HIS -15           HN       HIS -15   7.494   9.163 -12.309
   26    HA   HIS -15           HA       HIS -15   7.596   7.401 -13.731
   27    HB2  HIS -15           HB2      HIS -15   8.309   9.631 -15.628
   28    HB3  HIS -15           HB1      HIS -15   8.138   7.965 -16.165
   29    HD1  HIS -15           HD1      HIS -15   6.267  10.964 -15.934
   30    HD2  HIS -15           HD2      HIS -15   5.414   6.944 -15.333
   31    HE1  HIS -15           HE1      HIS -15   3.768  10.775 -16.100
   32    HE2  HIS -15           HE2      HIS -15   3.306   8.301 -15.953
   33    H    HIS -14           HN       HIS -14  10.003   8.199 -12.205
   34    HA   HIS -14           HA       HIS -14  12.123   7.125 -13.936
   35    HB2  HIS -14           HB2      HIS -14  12.452   9.332 -12.734
   36    HB3  HIS -14           HB1      HIS -14  12.431   8.433 -11.224
   37    HD1  HIS -14           HD1      HIS -14  14.719   8.113 -10.379
   38    HD2  HIS -14           HD2      HIS -14  14.581   7.986 -14.531
   39    HE1  HIS -14           HE1      HIS -14  17.088   7.726 -11.121
   40    HE2  HIS -14           HE2      HIS -14  16.947   7.460 -13.623
   41    H    HIS -13           HN       HIS -13   9.898   5.705 -12.528
   42    HA   HIS -13           HA       HIS -13  11.380   3.439 -11.677
   43    HB2  HIS -13           HB2      HIS -13  10.488   3.310  -9.363
   44    HB3  HIS -13           HB1      HIS -13  11.589   4.662  -9.582
   45    HD1  HIS -13           HD1      HIS -13  10.795   6.586  -8.271
   46    HD2  HIS -13           HD2      HIS -13   7.629   4.441  -9.885
   47    HE1  HIS -13           HE1      HIS -13   8.717   7.806  -7.552
   48    HE2  HIS -13           HE2      HIS -13   6.824   6.569  -8.664
   49    H    HIS -12           HN       HIS -12   9.933   1.631 -11.133
   50    HA   HIS -12           HA       HIS -12   7.246   2.013 -12.271
   51    HB2  HIS -12           HB2      HIS -12   8.994  -0.455 -12.152
   52    HB3  HIS -12           HB1      HIS -12   7.306  -0.481 -12.648
   53    HD1  HIS -12           HD1      HIS -12   6.769   0.243 -15.018
   54    HD2  HIS -12           HD2      HIS -12  10.739   0.886 -13.969
   55    HE1  HIS -12           HE1      HIS -12   7.936   0.904 -17.145
   56    HE2  HIS -12           HE2      HIS -12  10.294   1.440 -16.453
   57    H    HIS -11           HN       HIS -11   6.418   2.753 -10.306
   58    HA   HIS -11           HA       HIS -11   6.723   1.045  -7.963
   59    HB2  HIS -11           HB2      HIS -11   7.137   3.506  -7.808
   60    HB3  HIS -11           HB1      HIS -11   5.439   3.774  -8.175
   61    HD1  HIS -11           HD1      HIS -11   4.158   4.289  -6.145
   62    HD2  HIS -11           HD2      HIS -11   7.256   1.635  -5.365
   63    HE1  HIS -11           HE1      HIS -11   4.034   3.816  -3.681
   64    HE2  HIS -11           HE2      HIS -11   6.058   2.397  -3.203
   65    H    SER -10           HN       SER -10   5.334  -0.526  -9.220
   66    HA   SER -10           HA       SER -10   2.544  -0.139  -9.395
   67    HB2  SER -10           HB2      SER -10   3.958  -2.757  -8.842
   68    HB3  SER -10           HB1      SER -10   2.418  -2.521  -9.670
   69    HG   SER -10           HG       SER -10   3.679  -1.318 -11.274
   70    H    SER  -9           HN       SER  -9   4.563  -1.722  -6.940
   71    HA   SER  -9           HA       SER  -9   3.069  -0.504  -4.823
   72    HB2  SER  -9           HB2      SER  -9   1.683  -2.539  -5.384
   73    HB3  SER  -9           HB1      SER  -9   3.071  -3.531  -4.938
   74    HG   SER  -9           HG       SER  -9   1.606  -3.259  -3.194
   75    H    GLY  -8           HN       GLY  -8   4.572   0.096  -3.437
   76    HA2  GLY  -8           HA2      GLY  -8   6.714  -1.664  -2.646
   77    HA3  GLY  -8           HA1      GLY  -8   7.236  -0.283  -3.602
   78    H    LEU  -7           HN       LEU  -7   7.935  -0.837  -0.875
   79    HA   LEU  -7           HA       LEU  -7   6.261   0.960   0.674
   80    HB2  LEU  -7           HB2      LEU  -7   7.930   0.113   2.534
   81    HB3  LEU  -7           HB1      LEU  -7   6.547  -0.827   2.002
   82    HG   LEU  -7           HG       LEU  -7   8.237  -1.964   0.388
   83   HD11  LEU  -7          HD11      LEU  -7  10.142  -0.912   2.471
   84   HD12  LEU  -7          HD12      LEU  -7  10.091  -0.408   0.781
   85   HD13  LEU  -7          HD13      LEU  -7  10.517  -2.069   1.193
   86   HD21  LEU  -7          HD21      LEU  -7   7.128  -3.101   2.201
   87   HD22  LEU  -7          HD22      LEU  -7   8.274  -2.430   3.361
   88   HD23  LEU  -7          HD23      LEU  -7   8.825  -3.578   2.143
   89    H    GLU  -6           HN       GLU  -6   6.691   3.007   0.356
   90    HA   GLU  -6           HA       GLU  -6   9.449   3.929   0.789
   91    HB2  GLU  -6           HB2      GLU  -6   7.572   5.033  -1.307
   92    HB3  GLU  -6           HB1      GLU  -6   9.212   5.573  -0.989
   93    HG2  GLU  -6           HG2      GLU  -6  10.057   3.382  -1.690
   94    HG3  GLU  -6           HG1      GLU  -6   8.406   2.873  -2.043
   95    H    VAL  -5           HN       VAL  -5   6.610   3.908   2.170
   96    HA   VAL  -5           HA       VAL  -5   6.605   6.778   2.839
   97    HB   VAL  -5           HB       VAL  -5   4.514   6.108   1.681
   98   HG11  VAL  -5          HG11      VAL  -5   3.888   4.362   4.022
   99   HG12  VAL  -5          HG12      VAL  -5   4.631   3.741   2.553
  100   HG13  VAL  -5          HG13      VAL  -5   3.036   4.497   2.481
  101   HG21  VAL  -5          HG21      VAL  -5   4.135   6.733   4.602
  102   HG22  VAL  -5          HG22      VAL  -5   2.930   6.961   3.336
  103   HG23  VAL  -5          HG23      VAL  -5   4.420   7.904   3.314
  104    H    LEU  -4           HN       LEU  -4   6.941   7.299   4.921
  105    HA   LEU  -4           HA       LEU  -4   6.708   5.173   6.936
  106    HB2  LEU  -4           HB2      LEU  -4   9.006   7.105   6.620
  107    HB3  LEU  -4           HB1      LEU  -4   8.783   6.040   7.993
  108    HG   LEU  -4           HG       LEU  -4   9.189   5.106   5.150
  109   HD11  LEU  -4          HD11      LEU  -4  11.114   5.203   7.465
  110   HD12  LEU  -4          HD12      LEU  -4  11.188   6.187   6.004
  111   HD13  LEU  -4          HD13      LEU  -4  11.419   4.441   5.904
  112   HD21  LEU  -4          HD21      LEU  -4   7.911   3.529   6.496
  113   HD22  LEU  -4          HD22      LEU  -4   9.138   3.595   7.761
  114   HD23  LEU  -4          HD23      LEU  -4   9.534   2.913   6.184
  115    H    PHE  -3           HN       PHE  -3   4.896   7.325   6.294
  116    HA   PHE  -3           HA       PHE  -3   4.828   8.528   8.952
  117    HB2  PHE  -3           HB2      PHE  -3   4.086  10.708   7.969
  118    HB3  PHE  -3           HB1      PHE  -3   5.764  10.303   7.645
  119    HD1  PHE  -3           HD1      PHE  -3   6.484   9.706   5.390
  120    HD2  PHE  -3           HD2      PHE  -3   2.467  10.852   6.203
  121    HE1  PHE  -3           HE1      PHE  -3   6.108  10.086   2.989
  122    HE2  PHE  -3           HE2      PHE  -3   2.085  11.230   3.804
  123    HZ   PHE  -3           HZ       PHE  -3   3.907  10.847   2.193
  124    H    GLN  -2           HN       GLN  -2   2.920   8.443   9.877
  125    HA   GLN  -2           HA       GLN  -2   0.746   8.011  10.293
  126    HB2  GLN  -2           HB2      GLN  -2   0.526  10.071   8.865
  127    HB3  GLN  -2           HB1      GLN  -2   0.219   9.014   7.490
  128    HG2  GLN  -2           HG2      GLN  -2  -1.839   9.915   8.465
  129    HG3  GLN  -2           HG1      GLN  -2  -1.771   8.155   8.542
  130   HE21  GLN  -2          HE21      GLN  -2  -1.703  11.113  10.359
  131   HE22  GLN  -2          HE22      GLN  -2  -1.904  10.392  11.918
  132    H    GLY  -1           HN       GLY  -1   1.622   5.715  10.120
  133    HA2  GLY  -1           HA2      GLY  -1  -0.317   4.035   9.125
  134    HA3  GLY  -1           HA1      GLY  -1   0.872   4.165   7.842
  135    HA   PRO   0           HA       PRO   0   2.650   1.464  11.334
  136    HB2  PRO   0           HB2      PRO   0   0.872  -0.036  12.631
  137    HB3  PRO   0           HB1      PRO   0   1.106   1.660  13.063
  138    HG2  PRO   0           HG2      PRO   0  -1.084   0.389  11.489
  139    HG3  PRO   0           HG1      PRO   0  -1.165   1.723  12.653
  140    HD2  PRO   0           HD2      PRO   0  -1.074   1.965   9.857
  141    HD3  PRO   0           HD1      PRO   0  -0.800   3.267  11.031
  142    H    ARG   1           HN       ARG   1   1.627  -1.234  11.822
  143    HA   ARG   1           HA       ARG   1   1.586  -2.347   9.093
  144    HB2  ARG   1           HB2      ARG   1   2.983  -3.409  11.558
  145    HB3  ARG   1           HB1      ARG   1   2.822  -4.303  10.054
  146    HG2  ARG   1           HG2      ARG   1   4.139  -2.660   8.883
  147    HG3  ARG   1           HG1      ARG   1   4.214  -1.648  10.327
  148    HD2  ARG   1           HD2      ARG   1   5.333  -4.436  10.090
  149    HD3  ARG   1           HD1      ARG   1   6.274  -2.951   9.969
  150    HE   ARG   1           HE       ARG   1   4.899  -2.860  12.380
  151   HH11  ARG   1          HH11      ARG   1   7.358  -4.836  10.875
  152   HH12  ARG   1          HH12      ARG   1   8.139  -5.226  12.372
  153   HH21  ARG   1          HH21      ARG   1   5.918  -3.383  14.354
  154   HH22  ARG   1          HH22      ARG   1   7.316  -4.410  14.353
  155    H    ARG   2           HN       ARG   2   1.190  -5.045   9.931
  156    HA   ARG   2           HA       ARG   2  -0.892  -5.458  11.726
  157    HB2  ARG   2           HB2      ARG   2  -1.878  -3.991   9.560
  158    HB3  ARG   2           HB1      ARG   2  -2.360  -5.626   9.217
  159    HG2  ARG   2           HG2      ARG   2  -2.912  -4.212  11.771
  160    HG3  ARG   2           HG1      ARG   2  -4.041  -4.303  10.431
  161    HD2  ARG   2           HD2      ARG   2  -3.990  -6.756  10.621
  162    HD3  ARG   2           HD1      ARG   2  -2.942  -6.608  12.030
  163    HE   ARG   2           HE       ARG   2  -4.921  -5.203  12.928
  164   HH11  ARG   2          HH11      ARG   2  -5.184  -8.061  10.923
  165   HH12  ARG   2          HH12      ARG   2  -6.745  -8.503  11.534
  166   HH21  ARG   2          HH21      ARG   2  -6.971  -5.787  13.751
  167   HH22  ARG   2          HH22      ARG   2  -7.760  -7.212  13.152
  168    H    ALA   3           HN       ALA   3   0.957  -6.343   9.015
  169    HA   ALA   3           HA       ALA   3   1.893  -8.312   8.397
  170    HB1  ALA   3           HB1      ALA   3   2.188  -8.689  10.778
  171    HB2  ALA   3           HB2      ALA   3   1.879 -10.195   9.917
  172    HB3  ALA   3           HB3      ALA   3   0.596  -9.442  10.863
  173    H    GLY   4           HN       GLY   4  -0.795 -10.092   9.813
  174    HA2  GLY   4           HA2      GLY   4  -1.193 -11.324   7.187
  175    HA3  GLY   4           HA1      GLY   4  -1.763 -11.931   8.729
  176    H    THR   5           HN       THR   5  -2.296  -8.975   6.749
  177    HA   THR   5           HA       THR   5  -5.160  -9.269   7.376
  178    HB   THR   5           HB       THR   5  -3.865  -6.606   6.835
  179    HG1  THR   5           HG1      THR   5  -3.082  -8.210   8.746
  180   HG21  THR   5          HG21      THR   5  -6.229  -7.502   8.527
  181   HG22  THR   5          HG22      THR   5  -6.307  -6.619   7.001
  182   HG23  THR   5          HG23      THR   5  -5.635  -5.852   8.438
  183    H    CYS   6           HN       CYS   6  -6.374  -7.612   5.730
  184    HA   CYS   6           HA       CYS   6  -5.323  -8.107   3.018
  185    HB2  CYS   6           HB2      CYS   6  -7.815  -8.204   2.384
  186    HB3  CYS   6           HB1      CYS   6  -7.134  -9.580   3.223
  187    HG   CYS   6           HG       CYS   6  -9.474  -7.395   4.240
  188    H    CYS   7           HN       CYS   7  -5.809  -6.517   1.409
  189    HA   CYS   7           HA       CYS   7  -5.731  -3.905   2.629
  190    HB2  CYS   7           HB2      CYS   7  -4.265  -4.379   0.695
  191    HB3  CYS   7           HB1      CYS   7  -5.656  -4.581  -0.324
  192    H    ALA   8           HN       ALA   8  -7.372  -2.549   2.958
  193    HA   ALA   8           HA       ALA   8 -10.053  -2.968   2.345
  194    HB1  ALA   8           HB1      ALA   8  -8.745  -0.319   2.910
  195    HB2  ALA   8           HB2      ALA   8  -9.209  -1.491   4.152
  196    HB3  ALA   8           HB3      ALA   8 -10.442  -0.737   3.139
  197    H    ASN   9           HN       ASN   9  -8.345  -3.053  -0.038
  198    HA   ASN   9           HA       ASN   9  -9.860  -1.474  -1.857
  199    HB2  ASN   9           HB2      ASN   9  -8.365   0.277  -1.128
  200    HB3  ASN   9           HB1      ASN   9  -6.940  -0.783  -1.376
  201   HD21  ASN   9          HD21      ASN   9  -6.117  -1.024  -3.400
  202   HD22  ASN   9          HD22      ASN   9  -6.629  -0.131  -4.767
  203    H    CYS  10           HN       CYS  10  -6.922  -3.468  -1.373
  204    HA   CYS  10           HA       CYS  10  -7.326  -4.471  -4.107
  205    HB2  CYS  10           HB2      CYS  10  -4.723  -4.751  -2.586
  206    HB3  CYS  10           HB1      CYS  10  -5.040  -4.843  -4.342
  207    H    GLN  11           HN       GLN  11  -7.934  -5.354  -1.027
  208    HA   GLN  11           HA       GLN  11  -7.948  -7.203   0.269
  209    HB2  GLN  11           HB2      GLN  11  -9.011  -8.040  -2.404
  210    HB3  GLN  11           HB1      GLN  11  -9.148  -9.074  -0.987
  211    HG2  GLN  11           HG2      GLN  11 -10.457  -7.400   0.145
  212    HG3  GLN  11           HG1      GLN  11 -10.202  -6.260  -1.174
  213   HE21  GLN  11          HE21      GLN  11 -10.856  -9.667  -1.617
  214   HE22  GLN  11          HE22      GLN  11 -12.425  -9.469  -2.312
  215    H    THR  12           HN       THR  12  -5.384  -6.972  -1.512
  216    HA   THR  12           HA       THR  12  -4.383  -9.612  -1.604
  217    HB   THR  12           HB       THR  12  -3.390  -7.587  -2.844
  218    HG1  THR  12           HG1      THR  12  -2.173  -9.412  -2.924
  219   HG21  THR  12          HG21      THR  12  -3.240  -6.057  -0.896
  220   HG22  THR  12          HG22      THR  12  -1.659  -6.317  -1.635
  221   HG23  THR  12          HG23      THR  12  -2.077  -7.150  -0.142
  222    H    THR  13           HN       THR  13  -2.724 -10.430  -0.209
  223    HA   THR  13           HA       THR  13  -2.768  -9.307   2.499
  224    HB   THR  13           HB       THR  13  -2.642 -11.675   3.360
  225    HG1  THR  13           HG1      THR  13  -3.673 -12.384   0.804
  226   HG21  THR  13          HG21      THR  13  -5.152 -11.062   1.805
  227   HG22  THR  13          HG22      THR  13  -4.709 -10.242   3.306
  228   HG23  THR  13          HG23      THR  13  -5.015 -11.988   3.302
  229    H    THR  14           HN       THR  14  -1.061  -9.983  -0.137
  230    HA   THR  14           HA       THR  14   1.416 -10.638   1.212
  231    HB   THR  14           HB       THR  14   1.525 -10.005  -1.651
  232    HG1  THR  14           HG1      THR  14  -0.134 -12.143  -0.717
  233   HG21  THR  14          HG21      THR  14   2.126 -12.500  -0.084
  234   HG22  THR  14          HG22      THR  14   3.272 -11.192  -0.393
  235   HG23  THR  14          HG23      THR  14   2.644 -12.155  -1.732
  236    H    THR  15           HN       THR  15   1.366  -8.601   2.398
  237    HA   THR  15           HA       THR  15   2.760  -6.537   0.924
  238    HB   THR  15           HB       THR  15   0.174  -5.750   2.332
  239    HG1  THR  15           HG1      THR  15   0.603  -6.677  -0.128
  240   HG21  THR  15          HG21      THR  15   2.202  -4.149   0.779
  241   HG22  THR  15          HG22      THR  15   1.932  -4.079   2.517
  242   HG23  THR  15          HG23      THR  15   0.674  -3.543   1.410
  243    H    THR  16           HN       THR  16   4.132  -5.344   2.229
  244    HA   THR  16           HA       THR  16   4.549  -6.533   4.848
  245    HB   THR  16           HB       THR  16   6.376  -4.505   3.576
  246    HG1  THR  16           HG1      THR  16   5.946  -7.215   2.867
  247   HG21  THR  16          HG21      THR  16   6.860  -6.906   5.347
  248   HG22  THR  16          HG22      THR  16   6.866  -5.221   5.868
  249   HG23  THR  16          HG23      THR  16   8.097  -5.802   4.746
  250    H    LEU  17           HN       LEU  17   3.076  -3.732   3.616
  251    HA   LEU  17           HA       LEU  17   3.391  -2.398   6.263
  252    HB2  LEU  17           HB2      LEU  17   4.738  -1.315   4.233
  253    HB3  LEU  17           HB1      LEU  17   3.160  -0.701   3.808
  254    HG   LEU  17           HG       LEU  17   2.951   0.562   5.796
  255   HD11  LEU  17          HD11      LEU  17   4.736   0.477   7.567
  256   HD12  LEU  17          HD12      LEU  17   5.350  -0.977   6.779
  257   HD13  LEU  17          HD13      LEU  17   3.722  -0.960   7.457
  258   HD21  LEU  17          HD21      LEU  17   4.980   1.971   5.805
  259   HD22  LEU  17          HD22      LEU  17   4.389   1.633   4.179
  260   HD23  LEU  17          HD23      LEU  17   5.792   0.768   4.805
  261    H    TRP  18           HN       TRP  18   1.433  -2.536   7.099
  262    HA   TRP  18           HA       TRP  18  -0.872  -2.026   5.429
  263    HB2  TRP  18           HB2      TRP  18  -0.670  -3.209   8.193
  264    HB3  TRP  18           HB1      TRP  18  -2.141  -3.007   7.315
  265    HD1  TRP  18           HD1      TRP  18   0.836  -5.267   7.551
  266    HE1  TRP  18           HE1      TRP  18   0.465  -7.276   6.049
  267    HE3  TRP  18           HE3      TRP  18  -3.257  -3.664   4.980
  268    HZ2  TRP  18           HZ2      TRP  18  -1.290  -8.128   4.071
  269    HZ3  TRP  18           HZ3      TRP  18  -4.285  -5.162   3.313
  270    HH2  TRP  18           HH2      TRP  18  -3.324  -7.314   2.831
  271    H    ARG  19           HN       ARG  19  -0.742   0.189   5.315
  272    HA   ARG  19           HA       ARG  19  -0.878   1.829   7.756
  273    HB2  ARG  19           HB2      ARG  19  -1.542   3.250   5.299
  274    HB3  ARG  19           HB1      ARG  19  -0.184   3.476   6.387
  275    HG2  ARG  19           HG2      ARG  19   0.810   1.396   5.210
  276    HG3  ARG  19           HG1      ARG  19  -0.355   1.771   3.939
  277    HD2  ARG  19           HD2      ARG  19   1.719   2.805   3.378
  278    HD3  ARG  19           HD1      ARG  19   0.616   4.085   3.875
  279    HE   ARG  19           HE       ARG  19   2.754   2.961   5.575
  280   HH11  ARG  19          HH11      ARG  19   0.718   5.645   4.603
  281   HH12  ARG  19          HH12      ARG  19   1.435   6.753   5.731
  282   HH21  ARG  19          HH21      ARG  19   3.716   4.423   7.030
  283   HH22  ARG  19          HH22      ARG  19   3.126   6.054   7.114
  284    H    ARG  20           HN       ARG  20  -2.741   3.568   7.746
  285    HA   ARG  20           HA       ARG  20  -5.244   2.110   7.390
  286    HB2  ARG  20           HB2      ARG  20  -4.490   4.494   9.060
  287    HB3  ARG  20           HB1      ARG  20  -6.151   4.019   8.821
  288    HG2  ARG  20           HG2      ARG  20  -4.067   2.828  10.494
  289    HG3  ARG  20           HG1      ARG  20  -5.811   2.938  10.719
  290    HD2  ARG  20           HD2      ARG  20  -6.127   1.112   9.109
  291    HD3  ARG  20           HD1      ARG  20  -4.376   0.976   8.940
  292    HE   ARG  20           HE       ARG  20  -5.864   0.445  11.434
  293   HH11  ARG  20          HH11      ARG  20  -3.152  -0.182   9.296
  294   HH12  ARG  20          HH12      ARG  20  -2.464  -1.397  10.321
  295   HH21  ARG  20          HH21      ARG  20  -4.959  -1.158  12.778
  296   HH22  ARG  20          HH22      ARG  20  -3.487  -1.945  12.311
  297    H    ASN  21           HN       ASN  21  -6.987   2.973   6.319
  298    HA   ASN  21           HA       ASN  21  -6.439   5.223   4.542
  299    HB2  ASN  21           HB2      ASN  21  -8.359   4.650   3.257
  300    HB3  ASN  21           HB1      ASN  21  -7.573   3.098   3.660
  301   HD21  ASN  21          HD21      ASN  21  -9.868   2.525   2.927
  302   HD22  ASN  21          HD22      ASN  21 -11.067   2.435   4.151
  303    H    ALA  22           HN       ALA  22  -9.149   6.239   4.287
  304    HA   ALA  22           HA       ALA  22  -8.911   8.365   6.021
  305    HB1  ALA  22           HB1      ALA  22 -10.208   8.339   3.922
  306    HB2  ALA  22           HB2      ALA  22 -11.082   9.057   5.273
  307    HB3  ALA  22           HB3      ALA  22 -11.465   7.418   4.745
  308    H    ASN  23           HN       ASN  23 -10.563   5.320   6.642
  309    HA   ASN  23           HA       ASN  23 -11.828   6.540   8.990
  310    HB2  ASN  23           HB2      ASN  23 -13.279   5.477   7.117
  311    HB3  ASN  23           HB1      ASN  23 -12.709   3.974   7.810
  312   HD21  ASN  23          HD21      ASN  23 -15.130   3.675   8.234
  313   HD22  ASN  23          HD22      ASN  23 -15.733   4.336   9.707
  314    H    GLY  24           HN       GLY  24  -9.172   5.085   8.260
  315    HA2  GLY  24           HA2      GLY  24  -7.661   4.151   9.770
  316    HA3  GLY  24           HA1      GLY  24  -9.006   3.784  10.829
  317    H    ASP  25           HN       ASP  25  -9.060   2.889   7.463
  318    HA   ASP  25           HA       ASP  25  -9.229   0.107   8.352
  319    HB2  ASP  25           HB2      ASP  25 -10.749   1.415   6.492
  320    HB3  ASP  25           HB1      ASP  25  -9.597   0.537   5.471
  321    HA   PRO  26           HA       PRO  26  -5.181  -0.930   7.202
  322    HB2  PRO  26           HB2      PRO  26  -5.668  -3.583   6.479
  323    HB3  PRO  26           HB1      PRO  26  -5.422  -2.987   8.152
  324    HG2  PRO  26           HG2      PRO  26  -7.934  -3.667   6.699
  325    HG3  PRO  26           HG1      PRO  26  -7.539  -3.842   8.431
  326    HD2  PRO  26           HD2      PRO  26  -9.137  -1.820   7.453
  327    HD3  PRO  26           HD1      PRO  26  -8.140  -1.657   8.904
  328    H    VAL  27           HN       VAL  27  -3.972  -0.693   5.427
  329    HA   VAL  27           HA       VAL  27  -5.057  -1.571   2.835
  330    HB   VAL  27           HB       VAL  27  -4.009   0.623   1.838
  331   HG11  VAL  27          HG11      VAL  27  -6.766   0.540   3.020
  332   HG12  VAL  27          HG12      VAL  27  -6.284  -0.048   1.426
  333   HG13  VAL  27          HG13      VAL  27  -6.222   1.679   1.793
  334   HG21  VAL  27          HG21      VAL  27  -3.314   1.715   3.869
  335   HG22  VAL  27          HG22      VAL  27  -4.940   1.608   4.521
  336   HG23  VAL  27          HG23      VAL  27  -4.615   2.633   3.129
  337    H    CYS  28           HN       CYS  28  -3.517  -1.919   1.250
  338    HA   CYS  28           HA       CYS  28  -1.030  -2.838   2.234
  339    HB2  CYS  28           HB2      CYS  28  -0.780  -3.671  -0.013
  340    HB3  CYS  28           HB1      CYS  28  -2.502  -3.658   0.257
  341    H    ASN  29           HN       ASN  29   1.166  -1.930   1.148
  342    HA   ASN  29           HA       ASN  29   1.363   0.634   2.140
  343    HB2  ASN  29           HB2      ASN  29   3.304  -0.903   1.938
  344    HB3  ASN  29           HB1      ASN  29   3.358  -0.586   0.192
  345   HD21  ASN  29          HD21      ASN  29   2.789   2.161   0.255
  346   HD22  ASN  29          HD22      ASN  29   4.123   2.956   0.954
  347    H    ALA  30           HN       ALA  30   1.224  -0.267  -1.307
  348    HA   ALA  30           HA       ALA  30   1.463   2.215  -2.435
  349    HB1  ALA  30           HB1      ALA  30  -0.489   0.113  -3.294
  350    HB2  ALA  30           HB2      ALA  30   1.197   0.253  -3.800
  351    HB3  ALA  30           HB3      ALA  30   0.031   1.504  -4.244
  352    H    CYS  31           HN       CYS  31  -1.485   0.861  -1.029
  353    HA   CYS  31           HA       CYS  31  -3.112   3.066  -1.775
  354    HB2  CYS  31           HB2      CYS  31  -3.559   0.851   0.149
  355    HB3  CYS  31           HB1      CYS  31  -4.757   2.063  -0.214
  356    H    GLY  32           HN       GLY  32  -1.615   2.178   1.329
  357    HA2  GLY  32           HA2      GLY  32  -2.617   4.578   2.579
  358    HA3  GLY  32           HA1      GLY  32  -1.351   3.506   3.248
  359    H    LEU  33           HN       LEU  33   0.212   3.798   0.702
  360    HA   LEU  33           HA       LEU  33   1.615   6.218   1.352
  361    HB2  LEU  33           HB2      LEU  33   2.669   4.171   0.348
  362    HB3  LEU  33           HB1      LEU  33   1.875   4.556  -1.147
  363    HG   LEU  33           HG       LEU  33   3.542   6.688  -0.067
  364   HD11  LEU  33          HD11      LEU  33   4.884   4.653   0.429
  365   HD12  LEU  33          HD12      LEU  33   5.609   5.677  -0.808
  366   HD13  LEU  33          HD13      LEU  33   4.755   4.204  -1.271
  367   HD21  LEU  33          HD21      LEU  33   3.207   5.378  -2.745
  368   HD22  LEU  33          HD22      LEU  33   4.138   6.841  -2.434
  369   HD23  LEU  33          HD23      LEU  33   2.389   6.840  -2.201
  370    H    TYR  34           HN       TYR  34  -0.588   5.099  -1.202
  371    HA   TYR  34           HA       TYR  34  -0.295   7.397  -2.732
  372    HB2  TYR  34           HB2      TYR  34  -1.096   5.191  -3.594
  373    HB3  TYR  34           HB1      TYR  34  -2.591   5.440  -2.710
  374    HD1  TYR  34           HD1      TYR  34  -4.239   7.027  -3.500
  375    HD2  TYR  34           HD2      TYR  34  -0.609   6.359  -5.589
  376    HE1  TYR  34           HE1      TYR  34  -5.211   8.082  -5.513
  377    HE2  TYR  34           HE2      TYR  34  -1.544   7.418  -7.592
  378    HH   TYR  34           HH       TYR  34  -4.485   9.185  -7.549
  379    H    TYR  35           HN       TYR  35  -2.930   6.299  -0.652
  380    HA   TYR  35           HA       TYR  35  -4.541   8.556  -0.901
  381    HB2  TYR  35           HB2      TYR  35  -5.321   6.489   0.186
  382    HB3  TYR  35           HB1      TYR  35  -4.228   6.788   1.524
  383    HD1  TYR  35           HD1      TYR  35  -7.121   8.170  -0.220
  384    HD2  TYR  35           HD2      TYR  35  -4.855   8.115   3.335
  385    HE1  TYR  35           HE1      TYR  35  -8.805   9.572   0.810
  386    HE2  TYR  35           HE2      TYR  35  -6.540   9.494   4.432
  387    HH   TYR  35           HH       TYR  35  -8.312  11.156   3.745
  388    H    LYS  36           HN       LYS  36  -1.577   8.201   0.871
  389    HA   LYS  36           HA       LYS  36  -2.186  10.356   2.676
  390    HB2  LYS  36           HB2      LYS  36   0.132   8.588   2.169
  391    HB3  LYS  36           HB1      LYS  36   0.450  10.153   2.912
  392    HG2  LYS  36           HG2      LYS  36   0.060   8.301   4.529
  393    HG3  LYS  36           HG1      LYS  36  -0.941   9.716   4.743
  394    HD2  LYS  36           HD2      LYS  36  -2.771   8.545   3.541
  395    HD3  LYS  36           HD1      LYS  36  -1.763   7.100   3.504
  396    HE2  LYS  36           HE2      LYS  36  -3.238   6.846   5.335
  397    HE3  LYS  36           HE1      LYS  36  -1.658   7.236   6.012
  398    HZ1  LYS  36           HZ1      LYS  36  -2.386   9.526   6.276
  399    HZ2  LYS  36           HZ2      LYS  36  -3.421   8.471   7.098
  400    HZ3  LYS  36           HZ3      LYS  36  -3.900   9.145   5.627
  401    H    LEU  37           HN       LEU  37  -0.545   9.896  -0.311
  402    HA   LEU  37           HA       LEU  37   0.594  12.535  -0.337
  403    HB2  LEU  37           HB2      LEU  37   0.309  10.775  -2.748
  404    HB3  LEU  37           HB1      LEU  37   1.558  11.956  -2.391
  405    HG   LEU  37           HG       LEU  37   1.225   9.288  -1.023
  406   HD11  LEU  37          HD11      LEU  37   1.937   8.948  -3.275
  407   HD12  LEU  37          HD12      LEU  37   3.330   8.748  -2.216
  408   HD13  LEU  37          HD13      LEU  37   3.135  10.234  -3.146
  409   HD21  LEU  37          HD21      LEU  37   3.350   9.699  -0.011
  410   HD22  LEU  37          HD22      LEU  37   2.270  11.041   0.388
  411   HD23  LEU  37          HD23      LEU  37   3.505  11.240  -0.855
  412    H    HIS  38           HN       HIS  38  -2.243  10.923  -1.556
  413    HA   HIS  38           HA       HIS  38  -2.833  13.231  -3.283
  414    HB2  HIS  38           HB2      HIS  38  -3.348  10.303  -3.753
  415    HB3  HIS  38           HB1      HIS  38  -3.927  11.585  -4.800
  416    HD1  HIS  38           HD1      HIS  38  -1.521  13.331  -5.193
  417    HD2  HIS  38           HD2      HIS  38  -1.241   9.191  -4.993
  418    HE1  HIS  38           HE1      HIS  38   0.689  12.748  -6.240
  419    HE2  HIS  38           HE2      HIS  38   0.727  10.234  -6.306
  420    H    ASN  39           HN       ASN  39  -3.965  11.709  -0.575
  421    HA   ASN  39           HA       ASN  39  -5.911  11.902   0.639
  422    HB2  ASN  39           HB2      ASN  39  -6.757  13.750  -1.546
  423    HB3  ASN  39           HB1      ASN  39  -7.520  13.589   0.012
  424   HD21  ASN  39          HD21      ASN  39  -6.720  16.166  -0.628
  425   HD22  ASN  39          HD22      ASN  39  -5.309  16.576   0.276
  426    H    VAL  40           HN       VAL  40  -5.665  10.129  -1.858
  427    HA   VAL  40           HA       VAL  40  -8.446   9.304  -1.770
  428    HB   VAL  40           HB       VAL  40  -8.280   8.812  -4.338
  429   HG11  VAL  40          HG11      VAL  40 -10.014  10.146  -3.333
  430   HG12  VAL  40          HG12      VAL  40  -9.437  10.916  -4.809
  431   HG13  VAL  40          HG13      VAL  40  -8.929  11.532  -3.237
  432   HG21  VAL  40          HG21      VAL  40  -7.155  10.452  -5.634
  433   HG22  VAL  40          HG22      VAL  40  -5.982   9.751  -4.529
  434   HG23  VAL  40          HG23      VAL  40  -6.667  11.345  -4.189
  435    H    ASN  41           HN       ASN  41  -8.758   7.113  -2.641
  436    HA   ASN  41           HA       ASN  41  -6.621   5.483  -1.685
  437    HB2  ASN  41           HB2      ASN  41  -9.337   4.899  -2.805
  438    HB3  ASN  41           HB1      ASN  41  -8.156   3.615  -2.673
  439   HD21  ASN  41          HD21      ASN  41 -10.153   5.834  -0.954
  440   HD22  ASN  41          HD22      ASN  41  -9.989   5.107   0.603
  441    H    ARG  42           HN       ARG  42  -5.835   3.589  -3.019
  442    HA   ARG  42           HA       ARG  42  -4.716   4.776  -5.427
  443    HB2  ARG  42           HB2      ARG  42  -3.467   3.535  -3.480
  444    HB3  ARG  42           HB1      ARG  42  -3.903   2.109  -4.353
  445    HG2  ARG  42           HG2      ARG  42  -2.281   4.389  -5.442
  446    HG3  ARG  42           HG1      ARG  42  -1.648   2.840  -4.894
  447    HD2  ARG  42           HD2      ARG  42  -2.902   1.709  -6.663
  448    HD3  ARG  42           HD1      ARG  42  -3.534   3.261  -7.210
  449    HE   ARG  42           HE       ARG  42  -0.654   3.109  -7.119
  450   HH11  ARG  42          HH11      ARG  42  -3.486   2.493  -9.093
  451   HH12  ARG  42          HH12      ARG  42  -2.623   2.676 -10.591
  452   HH21  ARG  42          HH21      ARG  42   0.469   3.325  -9.086
  453   HH22  ARG  42          HH22      ARG  42  -0.380   3.143 -10.588
  454    HA   PRO  43           HA       PRO  43  -7.891   2.393  -7.698
  455    HB2  PRO  43           HB2      PRO  43  -6.206   3.546  -9.885
  456    HB3  PRO  43           HB1      PRO  43  -7.969   3.460  -9.751
  457    HG2  PRO  43           HG2      PRO  43  -6.755   5.758  -9.293
  458    HG3  PRO  43           HG1      PRO  43  -8.066   5.224  -8.220
  459    HD2  PRO  43           HD2      PRO  43  -5.104   5.157  -7.774
  460    HD3  PRO  43           HD1      PRO  43  -6.437   5.586  -6.633
  461    H    LEU  44           HN       LEU  44  -7.604   0.309  -7.939
  462    HA   LEU  44           HA       LEU  44  -5.279  -0.938  -9.009
  463    HB2  LEU  44           HB2      LEU  44  -5.005   0.028  -6.435
  464    HB3  LEU  44           HB1      LEU  44  -5.457  -1.635  -6.176
  465    HG   LEU  44           HG       LEU  44  -3.518  -2.453  -7.289
  466   HD11  LEU  44          HD11      LEU  44  -3.007   0.403  -8.100
  467   HD12  LEU  44          HD12      LEU  44  -3.357  -0.961  -9.158
  468   HD13  LEU  44          HD13      LEU  44  -1.837  -0.905  -8.267
  469   HD21  LEU  44          HD21      LEU  44  -3.128  -1.799  -5.009
  470   HD22  LEU  44          HD22      LEU  44  -2.851  -0.122  -5.488
  471   HD23  LEU  44          HD23      LEU  44  -1.705  -1.378  -5.966
  472    H    THR  45           HN       THR  45  -7.309  -1.664  -6.256
  473    HA   THR  45           HA       THR  45  -8.625  -3.395  -5.715
  474    HB   THR  45           HB       THR  45 -10.006  -3.909  -8.130
  475    HG1  THR  45           HG1      THR  45  -9.433  -1.151  -7.691
  476   HG21  THR  45          HG21      THR  45 -11.829  -2.737  -6.987
  477   HG22  THR  45          HG22      THR  45 -10.681  -2.101  -5.808
  478   HG23  THR  45          HG23      THR  45 -10.996  -3.837  -5.888
  479    H    MET  46           HN       MET  46  -8.747  -4.568  -8.930
  480    HA   MET  46           HA       MET  46  -7.143  -6.895  -8.102
  481    HB2  MET  46           HB2      MET  46  -9.565  -7.016  -9.915
  482    HB3  MET  46           HB1      MET  46  -8.622  -8.370  -9.318
  483    HG2  MET  46           HG2      MET  46 -10.325  -6.529  -7.657
  484    HG3  MET  46           HG1      MET  46 -10.719  -8.180  -8.128
  485    HE1  MET  46           HE1      MET  46 -10.067  -8.485  -4.278
  486    HE2  MET  46           HE2      MET  46 -11.223  -8.732  -5.586
  487    HE3  MET  46           HE3      MET  46 -10.777  -7.096  -5.100
  488    H    LYS  47           HN       LYS  47  -5.999  -4.777  -9.304
  489    HA   LYS  47           HA       LYS  47  -4.515  -4.258 -10.918
  490    HB2  LYS  47           HB2      LYS  47  -5.190  -7.017 -11.915
  491    HB3  LYS  47           HB1      LYS  47  -4.061  -5.964 -12.755
  492    HG2  LYS  47           HG2      LYS  47  -2.645  -5.880 -10.773
  493    HG3  LYS  47           HG1      LYS  47  -3.785  -6.912  -9.907
  494    HD2  LYS  47           HD2      LYS  47  -3.378  -8.722 -11.465
  495    HD3  LYS  47           HD1      LYS  47  -2.325  -7.689 -12.432
  496    HE2  LYS  47           HE2      LYS  47  -1.815  -8.430  -9.553
  497    HE3  LYS  47           HE1      LYS  47  -1.110  -9.267 -10.934
  498    HZ1  LYS  47           HZ1      LYS  47  -0.726  -6.393 -10.286
  499    HZ2  LYS  47           HZ2      LYS  47  -0.032  -7.214 -11.590
  500    HZ3  LYS  47           HZ3      LYS  47   0.402  -7.621 -10.011
  501    H    LYS  48           HN       LYS  48  -7.035  -6.017 -12.746
  502    HA   LYS  48           HA       LYS  48  -7.785  -3.496 -14.014
  503    HB2  LYS  48           HB2      LYS  48  -6.001  -4.409 -15.427
  504    HB3  LYS  48           HB1      LYS  48  -6.873  -5.927 -15.565
  505    HG2  LYS  48           HG2      LYS  48  -8.723  -4.693 -16.679
  506    HG3  LYS  48           HG1      LYS  48  -7.707  -3.250 -16.654
  507    HD2  LYS  48           HD2      LYS  48  -6.055  -4.325 -18.032
  508    HD3  LYS  48           HD1      LYS  48  -6.923  -5.859 -17.946
  509    HE2  LYS  48           HE2      LYS  48  -8.830  -4.812 -19.104
  510    HE3  LYS  48           HE1      LYS  48  -7.909  -3.316 -19.233
  511    HZ1  LYS  48           HZ1      LYS  48  -7.041  -5.904 -20.387
  512    HZ2  LYS  48           HZ2      LYS  48  -6.318  -4.395 -20.622
  513    HZ3  LYS  48           HZ3      LYS  48  -7.853  -4.704 -21.254
  514    H    GLU  49           HN       GLU  49  -9.711  -3.985 -12.652
  515    HA   GLU  49           HA       GLU  49 -11.490  -5.826 -14.115
  516    HB2  GLU  49           HB2      GLU  49 -11.567  -4.872 -11.255
  517    HB3  GLU  49           HB1      GLU  49 -12.951  -5.627 -12.031
  518    HG2  GLU  49           HG2      GLU  49 -10.242  -6.897 -11.726
  519    HG3  GLU  49           HG1      GLU  49 -11.622  -7.189 -10.669
  Start of MODEL    4
    1    H1   MET -18           HT1      MET -18  13.803 -10.886  -7.686
    2    H2   MET -18           HT2      MET -18  13.257 -12.480  -7.582
    3    H3   MET -18           HT3      MET -18  13.298 -11.511  -6.201
    4    HA   MET -18           HA       MET -18  11.049 -11.745  -7.030
    5    HB2  MET -18           HB2      MET -18  12.230  -8.981  -7.394
    6    HB3  MET -18           HB1      MET -18  10.519  -9.326  -7.195
    7    HG2  MET -18           HG2      MET -18  10.851 -10.091  -4.968
    8    HG3  MET -18           HG1      MET -18  12.601 -10.053  -5.155
    9    HE1  MET -18           HE1      MET -18   9.326  -7.973  -4.762
   10    HE2  MET -18           HE2      MET -18   9.921  -7.355  -6.302
   11    HE3  MET -18           HE3      MET -18   9.908  -6.313  -4.880
   12    H    ALA -17           HN       ALA -17  10.999 -13.015  -8.940
   13    HA   ALA -17           HA       ALA -17  11.750 -11.882 -11.469
   14    HB1  ALA -17           HB1      ALA -17  12.023 -14.270 -10.993
   15    HB2  ALA -17           HB2      ALA -17  11.014 -13.998 -12.413
   16    HB3  ALA -17           HB3      ALA -17  10.273 -14.442 -10.876
   17    H    HIS -16           HN       HIS -16   8.981 -11.631  -9.568
   18    HA   HIS -16           HA       HIS -16   7.270 -11.183 -11.916
   19    HB2  HIS -16           HB2      HIS -16   6.603 -11.762  -9.037
   20    HB3  HIS -16           HB1      HIS -16   5.403 -11.157 -10.171
   21    HD1  HIS -16           HD1      HIS -16   4.314 -12.826 -11.691
   22    HD2  HIS -16           HD2      HIS -16   7.632 -14.384  -9.731
   23    HE1  HIS -16           HE1      HIS -16   4.301 -15.288 -12.195
   24    HE2  HIS -16           HE2      HIS -16   6.362 -16.200 -11.063
   25    H    HIS -15           HN       HIS -15   9.339  -9.438 -10.391
   26    HA   HIS -15           HA       HIS -15   7.742  -7.012 -10.723
   27    HB2  HIS -15           HB2      HIS -15   9.417  -7.684  -8.303
   28    HB3  HIS -15           HB1      HIS -15   9.020  -6.023  -8.731
   29    HD1  HIS -15           HD1      HIS -15   7.718  -8.925  -6.943
   30    HD2  HIS -15           HD2      HIS -15   6.142  -5.516  -8.712
   31    HE1  HIS -15           HE1      HIS -15   5.402  -8.687  -6.003
   32    HE2  HIS -15           HE2      HIS -15   4.535  -6.528  -6.964
   33    H    HIS -14           HN       HIS -14   8.713  -5.831 -12.237
   34    HA   HIS -14           HA       HIS -14  11.623  -6.176 -12.581
   35    HB2  HIS -14           HB2      HIS -14   9.544  -5.709 -14.726
   36    HB3  HIS -14           HB1      HIS -14  11.278  -5.837 -14.995
   37    HD1  HIS -14           HD1      HIS -14   8.342  -7.789 -15.224
   38    HD2  HIS -14           HD2      HIS -14  12.216  -8.529 -13.922
   39    HE1  HIS -14           HE1      HIS -14   8.607 -10.284 -15.292
   40    HE2  HIS -14           HE2      HIS -14  10.897 -10.715 -14.337
   41    H    HIS -13           HN       HIS -13   9.579  -4.046 -11.395
   42    HA   HIS -13           HA       HIS -13  11.326  -1.840 -12.131
   43    HB2  HIS -13           HB2      HIS -13   9.340  -0.283 -12.320
   44    HB3  HIS -13           HB1      HIS -13   9.570  -1.391 -13.660
   45    HD1  HIS -13           HD1      HIS -13   7.146  -0.410 -11.044
   46    HD2  HIS -13           HD2      HIS -13   7.612  -3.456 -13.835
   47    HE1  HIS -13           HE1      HIS -13   4.893  -1.509 -11.229
   48    HE2  HIS -13           HE2      HIS -13   5.169  -3.260 -13.019
   49    H    HIS -12           HN       HIS -12  12.179  -1.290 -10.299
   50    HA   HIS -12           HA       HIS -12  10.840  -1.735  -7.792
   51    HB2  HIS -12           HB2      HIS -12  13.240  -2.164  -8.001
   52    HB3  HIS -12           HB1      HIS -12  13.523  -0.480  -8.419
   53    HD1  HIS -12           HD1      HIS -12  14.336   0.873  -6.528
   54    HD2  HIS -12           HD2      HIS -12  11.993  -2.307  -5.241
   55    HE1  HIS -12           HE1      HIS -12  14.355   0.993  -4.021
   56    HE2  HIS -12           HE2      HIS -12  13.049  -1.020  -3.266
   57    H    HIS -11           HN       HIS -11  12.604   1.178  -8.792
   58    HA   HIS -11           HA       HIS -11  12.191   3.387  -8.565
   59    HB2  HIS -11           HB2      HIS -11   9.351   2.405  -8.661
   60    HB3  HIS -11           HB1      HIS -11   9.720   4.107  -8.410
   61    HD1  HIS -11           HD1      HIS -11  10.279   5.472 -10.442
   62    HD2  HIS -11           HD2      HIS -11  10.243   1.387 -11.223
   63    HE1  HIS -11           HE1      HIS -11  10.481   5.257 -12.939
   64    HE2  HIS -11           HE2      HIS -11  10.591   2.781 -13.378
   65    H    SER -10           HN       SER -10  11.863   4.991  -6.995
   66    HA   SER -10           HA       SER -10  11.931   3.926  -4.303
   67    HB2  SER -10           HB2      SER -10  12.268   6.783  -5.240
   68    HB3  SER -10           HB1      SER -10  12.702   6.134  -3.658
   69    HG   SER -10           HG       SER -10  14.343   4.981  -4.572
   70    H    SER  -9           HN       SER  -9   9.469   3.491  -5.169
   71    HA   SER  -9           HA       SER  -9   7.880   5.365  -3.580
   72    HB2  SER  -9           HB2      SER  -9   7.050   4.331  -6.305
   73    HB3  SER  -9           HB1      SER  -9   6.080   5.355  -5.245
   74    HG   SER  -9           HG       SER  -9   8.251   6.679  -5.444
   75    H    GLY  -8           HN       GLY  -8   9.001   2.800  -2.986
   76    HA2  GLY  -8           HA2      GLY  -8   6.739   0.947  -3.090
   77    HA3  GLY  -8           HA1      GLY  -8   8.369   0.570  -2.548
   78    H    LEU  -7           HN       LEU  -7   8.253  -0.031  -0.471
   79    HA   LEU  -7           HA       LEU  -7   6.213   1.078   1.233
   80    HB2  LEU  -7           HB2      LEU  -7   7.505  -0.393   3.003
   81    HB3  LEU  -7           HB1      LEU  -7   6.375  -1.093   1.870
   82    HG   LEU  -7           HG       LEU  -7   8.497  -2.382   2.277
   83   HD11  LEU  -7          HD11      LEU  -7   8.824  -2.994  -0.073
   84   HD12  LEU  -7          HD12      LEU  -7   7.889  -1.581  -0.560
   85   HD13  LEU  -7          HD13      LEU  -7   7.121  -2.868   0.365
   86   HD21  LEU  -7          HD21      LEU  -7  10.508  -1.691   1.052
   87   HD22  LEU  -7          HD22      LEU  -7  10.092  -0.576   2.353
   88   HD23  LEU  -7          HD23      LEU  -7   9.735  -0.150   0.680
   89    H    GLU  -6           HN       GLU  -6   7.809   3.048   0.363
   90    HA   GLU  -6           HA       GLU  -6   9.744   3.720   2.414
   91    HB2  GLU  -6           HB2      GLU  -6   8.919   4.967  -0.184
   92    HB3  GLU  -6           HB1      GLU  -6   9.838   5.897   0.989
   93    HG2  GLU  -6           HG2      GLU  -6  11.368   4.998  -0.576
   94    HG3  GLU  -6           HG1      GLU  -6  11.577   4.116   0.934
   95    H    VAL  -5           HN       VAL  -5   6.429   4.135   1.903
   96    HA   VAL  -5           HA       VAL  -5   6.134   6.710   3.099
   97    HB   VAL  -5           HB       VAL  -5   4.364   5.929   1.646
   98   HG11  VAL  -5          HG11      VAL  -5   3.861   3.722   3.617
   99   HG12  VAL  -5          HG12      VAL  -5   4.618   3.526   2.038
  100   HG13  VAL  -5          HG13      VAL  -5   2.939   4.058   2.153
  101   HG21  VAL  -5          HG21      VAL  -5   3.439   6.100   4.500
  102   HG22  VAL  -5          HG22      VAL  -5   2.405   6.270   3.081
  103   HG23  VAL  -5          HG23      VAL  -5   3.685   7.446   3.386
  104    H    LEU  -4           HN       LEU  -4   6.997   6.926   5.080
  105    HA   LEU  -4           HA       LEU  -4   5.813   5.326   7.214
  106    HB2  LEU  -4           HB2      LEU  -4   8.013   4.319   6.521
  107    HB3  LEU  -4           HB1      LEU  -4   8.785   5.808   7.027
  108    HG   LEU  -4           HG       LEU  -4   8.053   5.426   9.329
  109   HD11  LEU  -4          HD11      LEU  -4   6.862   2.887   8.231
  110   HD12  LEU  -4          HD12      LEU  -4   5.985   4.244   8.938
  111   HD13  LEU  -4          HD13      LEU  -4   7.047   3.261   9.944
  112   HD21  LEU  -4          HD21      LEU  -4   9.474   3.506   9.814
  113   HD22  LEU  -4          HD22      LEU  -4  10.209   4.541   8.591
  114   HD23  LEU  -4          HD23      LEU  -4   9.429   3.033   8.117
  115    H    PHE  -3           HN       PHE  -3   4.680   7.409   7.275
  116    HA   PHE  -3           HA       PHE  -3   5.937   9.098   9.265
  117    HB2  PHE  -3           HB2      PHE  -3   5.078  11.177   8.070
  118    HB3  PHE  -3           HB1      PHE  -3   6.503  10.413   7.384
  119    HD1  PHE  -3           HD1      PHE  -3   6.467   9.468   5.203
  120    HD2  PHE  -3           HD2      PHE  -3   2.895  10.993   6.933
  121    HE1  PHE  -3           HE1      PHE  -3   5.370   9.376   3.005
  122    HE2  PHE  -3           HE2      PHE  -3   1.787  10.898   4.740
  123    HZ   PHE  -3           HZ       PHE  -3   3.025  10.090   2.770
  124    H    GLN  -2           HN       GLN  -2   3.098   8.100   7.499
  125    HA   GLN  -2           HA       GLN  -2   1.486   8.536   9.897
  126    HB2  GLN  -2           HB2      GLN  -2   0.898   9.598   7.140
  127    HB3  GLN  -2           HB1      GLN  -2  -0.406   9.232   8.260
  128    HG2  GLN  -2           HG2      GLN  -2   1.857  11.097   8.914
  129    HG3  GLN  -2           HG1      GLN  -2   0.325  11.620   8.217
  130   HE21  GLN  -2          HE21      GLN  -2  -0.182  12.874  10.006
  131   HE22  GLN  -2          HE22      GLN  -2  -0.664  12.181  11.516
  132    H    GLY  -1           HN       GLY  -1   1.702   6.217  10.122
  133    HA2  GLY  -1           HA2      GLY  -1  -0.369   4.656   9.532
  134    HA3  GLY  -1           HA1      GLY  -1   0.518   4.570   8.020
  135    HA   PRO   0           HA       PRO   0   2.607   1.814  11.287
  136    HB2  PRO   0           HB2      PRO   0   0.880   0.276  12.579
  137    HB3  PRO   0           HB1      PRO   0   1.067   1.970  13.037
  138    HG2  PRO   0           HG2      PRO   0  -1.087   0.669  11.427
  139    HG3  PRO   0           HG1      PRO   0  -1.215   1.949  12.646
  140    HD2  PRO   0           HD2      PRO   0  -1.131   2.314   9.866
  141    HD3  PRO   0           HD1      PRO   0  -0.894   3.573  11.093
  142    H    ARG   1           HN       ARG   1   1.544  -0.910  11.705
  143    HA   ARG   1           HA       ARG   1   1.272  -1.927   8.958
  144    HB2  ARG   1           HB2      ARG   1   3.022  -3.079  11.142
  145    HB3  ARG   1           HB1      ARG   1   2.690  -3.865   9.607
  146    HG2  ARG   1           HG2      ARG   1   3.745  -1.980   8.437
  147    HG3  ARG   1           HG1      ARG   1   4.132  -1.254   9.998
  148    HD2  ARG   1           HD2      ARG   1   5.503  -3.178  10.574
  149    HD3  ARG   1           HD1      ARG   1   5.070  -3.964   9.056
  150    HE   ARG   1           HE       ARG   1   6.258  -1.387   8.677
  151   HH11  ARG   1          HH11      ARG   1   6.964  -4.770   9.229
  152   HH12  ARG   1          HH12      ARG   1   8.539  -4.684   8.508
  153   HH21  ARG   1          HH21      ARG   1   8.322  -1.271   7.731
  154   HH22  ARG   1          HH22      ARG   1   9.306  -2.700   7.644
  155    H    ARG   2           HN       ARG   2   1.041  -4.675   9.704
  156    HA   ARG   2           HA       ARG   2  -0.757  -5.141  11.808
  157    HB2  ARG   2           HB2      ARG   2  -2.117  -3.648  10.152
  158    HB3  ARG   2           HB1      ARG   2  -2.254  -5.121   9.217
  159    HG2  ARG   2           HG2      ARG   2  -3.428  -6.226  10.934
  160    HG3  ARG   2           HG1      ARG   2  -3.077  -4.924  12.062
  161    HD2  ARG   2           HD2      ARG   2  -4.433  -3.387  10.784
  162    HD3  ARG   2           HD1      ARG   2  -4.711  -4.618   9.556
  163    HE   ARG   2           HE       ARG   2  -5.763  -5.857  11.601
  164   HH11  ARG   2          HH11      ARG   2  -5.961  -2.443  10.884
  165   HH12  ARG   2          HH12      ARG   2  -7.537  -2.249  11.568
  166   HH21  ARG   2          HH21      ARG   2  -7.852  -5.619  12.509
  167   HH22  ARG   2          HH22      ARG   2  -8.622  -4.063  12.491
  168    H    ALA   3           HN       ALA   3   1.381  -6.221   9.807
  169    HA   ALA   3           HA       ALA   3   2.247  -8.258   9.338
  170    HB1  ALA   3           HB1      ALA   3   1.605  -8.754  11.646
  171    HB2  ALA   3           HB2      ALA   3   1.555 -10.178  10.606
  172    HB3  ALA   3           HB3      ALA   3   0.056  -9.371  11.069
  173    H    GLY   4           HN       GLY   4  -0.910  -9.803   9.550
  174    HA2  GLY   4           HA2      GLY   4  -0.614 -10.414   6.663
  175    HA3  GLY   4           HA1      GLY   4  -1.057 -11.612   7.861
  176    H    THR   5           HN       THR   5  -2.215  -8.348   7.002
  177    HA   THR   5           HA       THR   5  -4.972  -9.267   7.403
  178    HB   THR   5           HB       THR   5  -4.182  -6.414   6.818
  179    HG1  THR   5           HG1      THR   5  -3.334  -7.979   8.923
  180   HG21  THR   5          HG21      THR   5  -6.265  -7.717   8.613
  181   HG22  THR   5          HG22      THR   5  -6.569  -6.825   7.122
  182   HG23  THR   5          HG23      THR   5  -5.955  -5.990   8.547
  183    H    CYS   6           HN       CYS   6  -6.456  -7.698   5.806
  184    HA   CYS   6           HA       CYS   6  -5.434  -8.084   3.075
  185    HB2  CYS   6           HB2      CYS   6  -8.030  -7.928   2.587
  186    HB3  CYS   6           HB1      CYS   6  -7.286  -9.420   3.107
  187    HG   CYS   6           HG       CYS   6  -9.773  -7.829   4.452
  188    H    CYS   7           HN       CYS   7  -5.959  -6.498   1.491
  189    HA   CYS   7           HA       CYS   7  -5.764  -3.874   2.672
  190    HB2  CYS   7           HB2      CYS   7  -4.264  -4.586   0.836
  191    HB3  CYS   7           HB1      CYS   7  -5.624  -4.604  -0.237
  192    H    ALA   8           HN       ALA   8  -7.365  -2.495   2.976
  193    HA   ALA   8           HA       ALA   8 -10.046  -2.893   2.382
  194    HB1  ALA   8           HB1      ALA   8  -8.720  -0.258   2.954
  195    HB2  ALA   8           HB2      ALA   8  -9.178  -1.439   4.190
  196    HB3  ALA   8           HB3      ALA   8 -10.415  -0.666   3.200
  197    H    ASN   9           HN       ASN   9  -8.359  -2.893  -0.051
  198    HA   ASN   9           HA       ASN   9 -10.026  -1.253  -1.706
  199    HB2  ASN   9           HB2      ASN   9  -8.438   0.450  -1.079
  200    HB3  ASN   9           HB1      ASN   9  -7.063  -0.627  -1.479
  201   HD21  ASN   9          HD21      ASN   9  -6.116   0.226  -3.219
  202   HD22  ASN   9          HD22      ASN   9  -6.927   0.685  -4.672
  203    H    CYS  10           HN       CYS  10  -7.015  -3.206  -1.561
  204    HA   CYS  10           HA       CYS  10  -7.802  -4.178  -4.223
  205    HB2  CYS  10           HB2      CYS  10  -5.599  -3.994  -5.031
  206    HB3  CYS  10           HB1      CYS  10  -5.863  -2.518  -4.093
  207    H    GLN  11           HN       GLN  11  -7.861  -5.112  -1.276
  208    HA   GLN  11           HA       GLN  11  -7.622  -6.980  -0.010
  209    HB2  GLN  11           HB2      GLN  11  -8.865  -7.795  -2.600
  210    HB3  GLN  11           HB1      GLN  11  -8.753  -8.915  -1.245
  211    HG2  GLN  11           HG2      GLN  11  -9.972  -7.280   0.144
  212    HG3  GLN  11           HG1      GLN  11 -10.130  -6.239  -1.267
  213   HE21  GLN  11          HE21      GLN  11 -10.517  -8.551  -3.054
  214   HE22  GLN  11          HE22      GLN  11 -12.139  -9.076  -2.779
  215    H    THR  12           HN       THR  12  -5.105  -6.634  -1.867
  216    HA   THR  12           HA       THR  12  -4.021  -9.208  -1.939
  217    HB   THR  12           HB       THR  12  -2.924  -7.144  -2.951
  218    HG1  THR  12           HG1      THR  12  -1.580  -8.841  -2.957
  219   HG21  THR  12          HG21      THR  12  -1.976  -6.742  -0.096
  220   HG22  THR  12          HG22      THR  12  -3.090  -5.673  -0.955
  221   HG23  THR  12          HG23      THR  12  -1.420  -5.843  -1.506
  222    H    THR  13           HN       THR  13  -2.611 -10.180  -0.438
  223    HA   THR  13           HA       THR  13  -2.843  -9.217   2.319
  224    HB   THR  13           HB       THR  13  -2.928 -11.667   3.017
  225    HG1  THR  13           HG1      THR  13  -4.100 -12.200   0.525
  226   HG21  THR  13          HG21      THR  13  -4.850 -10.094   3.105
  227   HG22  THR  13          HG22      THR  13  -5.334 -11.771   2.817
  228   HG23  THR  13          HG23      THR  13  -5.306 -10.617   1.481
  229    H    THR  14           HN       THR  14  -0.928  -9.619  -0.120
  230    HA   THR  14           HA       THR  14   1.348 -10.622   1.376
  231    HB   THR  14           HB       THR  14   1.680  -9.757  -1.429
  232    HG1  THR  14           HG1      THR  14  -0.007 -11.952  -0.708
  233   HG21  THR  14          HG21      THR  14   2.867 -11.852  -1.570
  234   HG22  THR  14          HG22      THR  14   2.246 -12.328   0.007
  235   HG23  THR  14          HG23      THR  14   3.369 -10.974  -0.126
  236    H    THR  15           HN       THR  15   1.284  -8.667   2.719
  237    HA   THR  15           HA       THR  15   2.762  -6.500   1.486
  238    HB   THR  15           HB       THR  15   0.093  -5.812   2.772
  239    HG1  THR  15           HG1      THR  15   0.749  -6.527   0.236
  240   HG21  THR  15          HG21      THR  15   2.314  -4.198   1.548
  241   HG22  THR  15          HG22      THR  15   1.647  -4.078   3.176
  242   HG23  THR  15          HG23      THR  15   0.689  -3.569   1.790
  243    H    THR  16           HN       THR  16   4.122  -5.538   2.897
  244    HA   THR  16           HA       THR  16   4.076  -6.542   5.646
  245    HB   THR  16           HB       THR  16   6.307  -5.002   4.314
  246    HG1  THR  16           HG1      THR  16   5.475  -7.104   3.274
  247   HG21  THR  16          HG21      THR  16   6.283  -7.019   6.568
  248   HG22  THR  16          HG22      THR  16   6.458  -5.274   6.752
  249   HG23  THR  16          HG23      THR  16   7.709  -6.203   5.927
  250    H    LEU  17           HN       LEU  17   3.040  -3.878   3.970
  251    HA   LEU  17           HA       LEU  17   3.566  -2.043   6.277
  252    HB2  LEU  17           HB2      LEU  17   4.894  -1.582   4.148
  253    HB3  LEU  17           HB1      LEU  17   3.369  -1.182   3.389
  254    HG   LEU  17           HG       LEU  17   3.054   0.665   4.968
  255   HD11  LEU  17          HD11      LEU  17   4.181  -0.254   6.897
  256   HD12  LEU  17          HD12      LEU  17   4.921   1.287   6.460
  257   HD13  LEU  17          HD13      LEU  17   5.719  -0.229   6.039
  258   HD21  LEU  17          HD21      LEU  17   5.722   0.615   3.574
  259   HD22  LEU  17          HD22      LEU  17   4.966   2.065   4.227
  260   HD23  LEU  17          HD23      LEU  17   4.189   1.182   2.914
  261    H    TRP  18           HN       TRP  18   1.453  -2.790   7.011
  262    HA   TRP  18           HA       TRP  18  -0.825  -2.043   5.470
  263    HB2  TRP  18           HB2      TRP  18  -0.699  -3.177   8.246
  264    HB3  TRP  18           HB1      TRP  18  -2.144  -2.935   7.336
  265    HD1  TRP  18           HD1      TRP  18   0.657  -5.373   7.754
  266    HE1  TRP  18           HE1      TRP  18   0.241  -7.383   6.267
  267    HE3  TRP  18           HE3      TRP  18  -3.204  -3.581   4.923
  268    HZ2  TRP  18           HZ2      TRP  18  -1.450  -8.167   4.207
  269    HZ3  TRP  18           HZ3      TRP  18  -4.217  -5.051   3.226
  270    HH2  TRP  18           HH2      TRP  18  -3.353  -7.273   2.836
  271    H    ARG  19           HN       ARG  19  -0.814   0.119   5.280
  272    HA   ARG  19           HA       ARG  19  -0.847   1.877   7.641
  273    HB2  ARG  19           HB2      ARG  19  -1.699   3.146   5.161
  274    HB3  ARG  19           HB1      ARG  19  -0.258   3.436   6.125
  275    HG2  ARG  19           HG2      ARG  19   0.566   1.214   5.002
  276    HG3  ARG  19           HG1      ARG  19  -0.609   1.661   3.765
  277    HD2  ARG  19           HD2      ARG  19   1.528   2.554   3.132
  278    HD3  ARG  19           HD1      ARG  19   0.502   3.897   3.628
  279    HE   ARG  19           HE       ARG  19   2.795   2.816   5.092
  280   HH11  ARG  19          HH11      ARG  19   0.240   5.163   4.816
  281   HH12  ARG  19          HH12      ARG  19   0.799   6.140   6.136
  282   HH21  ARG  19          HH21      ARG  19   3.605   4.114   6.789
  283   HH22  ARG  19          HH22      ARG  19   2.736   5.532   7.269
  284    H    ARG  20           HN       ARG  20  -2.739   3.548   7.698
  285    HA   ARG  20           HA       ARG  20  -5.247   2.067   7.413
  286    HB2  ARG  20           HB2      ARG  20  -4.491   4.451   9.084
  287    HB3  ARG  20           HB1      ARG  20  -6.141   3.917   8.898
  288    HG2  ARG  20           HG2      ARG  20  -3.959   2.802  10.495
  289    HG3  ARG  20           HG1      ARG  20  -5.695   2.858  10.779
  290    HD2  ARG  20           HD2      ARG  20  -6.034   1.001   9.251
  291    HD3  ARG  20           HD1      ARG  20  -4.301   0.949   8.916
  292    HE   ARG  20           HE       ARG  20  -5.549   0.318  11.517
  293   HH11  ARG  20          HH11      ARG  20  -2.930  -0.045   9.216
  294   HH12  ARG  20          HH12      ARG  20  -2.030  -1.136  10.219
  295   HH21  ARG  20          HH21      ARG  20  -4.373  -1.122  12.835
  296   HH22  ARG  20          HH22      ARG  20  -2.844  -1.740  12.283
  297    H    ASN  21           HN       ASN  21  -6.994   2.932   6.370
  298    HA   ASN  21           HA       ASN  21  -6.487   5.248   4.668
  299    HB2  ASN  21           HB2      ASN  21  -8.439   4.721   3.407
  300    HB3  ASN  21           HB1      ASN  21  -7.620   3.167   3.727
  301   HD21  ASN  21          HD21      ASN  21  -9.892   2.547   3.044
  302   HD22  ASN  21          HD22      ASN  21 -11.069   2.397   4.274
  303    H    ALA  22           HN       ALA  22  -9.199   6.330   4.533
  304    HA   ALA  22           HA       ALA  22  -8.833   8.332   6.419
  305    HB1  ALA  22           HB1      ALA  22 -10.954   9.200   5.739
  306    HB2  ALA  22           HB2      ALA  22 -11.447   7.631   5.108
  307    HB3  ALA  22           HB3      ALA  22 -10.148   8.526   4.324
  308    H    ASN  23           HN       ASN  23 -10.511   5.296   6.858
  309    HA   ASN  23           HA       ASN  23 -11.765   6.373   9.280
  310    HB2  ASN  23           HB2      ASN  23 -13.166   5.429   7.255
  311    HB3  ASN  23           HB1      ASN  23 -12.776   3.899   8.017
  312   HD21  ASN  23          HD21      ASN  23 -15.453   4.787   7.855
  313   HD22  ASN  23          HD22      ASN  23 -15.989   5.147   9.455
  314    H    GLY  24           HN       GLY  24  -9.120   5.100   8.543
  315    HA2  GLY  24           HA2      GLY  24  -7.604   4.027   9.928
  316    HA3  GLY  24           HA1      GLY  24  -8.931   3.633  10.994
  317    H    ASP  25           HN       ASP  25  -9.037   2.832   7.597
  318    HA   ASP  25           HA       ASP  25  -9.213   0.031   8.416
  319    HB2  ASP  25           HB2      ASP  25 -10.763   1.358   6.624
  320    HB3  ASP  25           HB1      ASP  25  -9.567   0.608   5.547
  321    HA   PRO  26           HA       PRO  26  -5.179  -0.995   7.204
  322    HB2  PRO  26           HB2      PRO  26  -5.678  -3.616   6.416
  323    HB3  PRO  26           HB1      PRO  26  -5.459  -3.080   8.109
  324    HG2  PRO  26           HG2      PRO  26  -7.962  -3.656   6.581
  325    HG3  PRO  26           HG1      PRO  26  -7.592  -3.943   8.302
  326    HD2  PRO  26           HD2      PRO  26  -9.144  -1.856   7.469
  327    HD3  PRO  26           HD1      PRO  26  -8.114  -1.770   8.904
  328    H    VAL  27           HN       VAL  27  -4.017  -0.617   5.430
  329    HA   VAL  27           HA       VAL  27  -5.017  -1.579   2.828
  330    HB   VAL  27           HB       VAL  27  -3.984   0.610   1.789
  331   HG11  VAL  27          HG11      VAL  27  -6.769   0.664   2.925
  332   HG12  VAL  27          HG12      VAL  27  -6.293  -0.160   1.437
  333   HG13  VAL  27          HG13      VAL  27  -6.167   1.598   1.557
  334   HG21  VAL  27          HG21      VAL  27  -3.368   1.732   3.840
  335   HG22  VAL  27          HG22      VAL  27  -5.032   1.665   4.402
  336   HG23  VAL  27          HG23      VAL  27  -4.613   2.636   2.991
  337    H    CYS  28           HN       CYS  28  -3.395  -2.035   1.353
  338    HA   CYS  28           HA       CYS  28  -0.906  -2.799   2.472
  339    HB2  CYS  28           HB2      CYS  28  -0.637  -3.862   0.351
  340    HB3  CYS  28           HB1      CYS  28  -2.368  -3.734   0.519
  341    H    ASN  29           HN       ASN  29   1.262  -1.982   1.205
  342    HA   ASN  29           HA       ASN  29   1.629   0.619   1.974
  343    HB2  ASN  29           HB2      ASN  29   3.716  -0.315   1.762
  344    HB3  ASN  29           HB1      ASN  29   3.183  -1.400   0.477
  345   HD21  ASN  29          HD21      ASN  29   3.307   2.202   0.593
  346   HD22  ASN  29          HD22      ASN  29   4.420   2.323  -0.712
  347    H    ALA  30           HN       ALA  30   1.257  -0.402  -1.432
  348    HA   ALA  30           HA       ALA  30   1.403   2.126  -2.534
  349    HB1  ALA  30           HB1      ALA  30   0.059   1.369  -4.390
  350    HB2  ALA  30           HB2      ALA  30  -0.379  -0.083  -3.487
  351    HB3  ALA  30           HB3      ALA  30   1.301   0.197  -3.947
  352    H    CYS  31           HN       CYS  31  -1.566   0.561  -1.351
  353    HA   CYS  31           HA       CYS  31  -3.251   2.705  -2.127
  354    HB2  CYS  31           HB2      CYS  31  -3.746   0.486  -0.202
  355    HB3  CYS  31           HB1      CYS  31  -4.977   1.522  -0.862
  356    H    GLY  32           HN       GLY  32  -1.641   1.899   0.905
  357    HA2  GLY  32           HA2      GLY  32  -2.791   4.199   2.257
  358    HA3  GLY  32           HA1      GLY  32  -1.474   3.168   2.879
  359    H    LEU  33           HN       LEU  33   0.144   3.586   0.439
  360    HA   LEU  33           HA       LEU  33   1.501   5.958   1.270
  361    HB2  LEU  33           HB2      LEU  33   2.640   4.017   0.197
  362    HB3  LEU  33           HB1      LEU  33   1.856   4.417  -1.297
  363    HG   LEU  33           HG       LEU  33   3.413   6.611  -0.210
  364   HD11  LEU  33          HD11      LEU  33   4.847   4.193  -1.288
  365   HD12  LEU  33          HD12      LEU  33   4.798   4.604   0.422
  366   HD13  LEU  33          HD13      LEU  33   5.564   5.702  -0.724
  367   HD21  LEU  33          HD21      LEU  33   4.121   6.699  -2.540
  368   HD22  LEU  33          HD22      LEU  33   2.366   6.568  -2.419
  369   HD23  LEU  33          HD23      LEU  33   3.331   5.149  -2.826
  370    H    TYR  34           HN       TYR  34  -0.596   5.050  -1.465
  371    HA   TYR  34           HA       TYR  34  -0.113   7.476  -2.768
  372    HB2  TYR  34           HB2      TYR  34  -0.785   5.433  -3.957
  373    HB3  TYR  34           HB1      TYR  34  -2.331   5.467  -3.127
  374    HD1  TYR  34           HD1      TYR  34  -3.968   7.184  -3.675
  375    HD2  TYR  34           HD2      TYR  34  -0.362   6.750  -5.870
  376    HE1  TYR  34           HE1      TYR  34  -4.919   8.553  -5.470
  377    HE2  TYR  34           HE2      TYR  34  -1.299   8.132  -7.689
  378    HH   TYR  34           HH       TYR  34  -4.147   9.956  -7.333
  379    H    TYR  35           HN       TYR  35  -2.774   6.232  -0.848
  380    HA   TYR  35           HA       TYR  35  -4.475   8.433  -1.064
  381    HB2  TYR  35           HB2      TYR  35  -5.184   6.272  -0.111
  382    HB3  TYR  35           HB1      TYR  35  -4.147   6.554   1.276
  383    HD1  TYR  35           HD1      TYR  35  -7.102   7.859  -0.489
  384    HD2  TYR  35           HD2      TYR  35  -4.857   7.776   3.086
  385    HE1  TYR  35           HE1      TYR  35  -8.933   8.950   0.678
  386    HE2  TYR  35           HE2      TYR  35  -6.665   8.841   4.302
  387    HH   TYR  35           HH       TYR  35  -9.799   9.255   2.912
  388    H    LYS  36           HN       LYS  36  -1.549   8.077   0.755
  389    HA   LYS  36           HA       LYS  36  -2.176  10.173   2.603
  390    HB2  LYS  36           HB2      LYS  36   0.150   8.452   2.027
  391    HB3  LYS  36           HB1      LYS  36   0.518  10.047   2.666
  392    HG2  LYS  36           HG2      LYS  36   0.277   8.338   4.418
  393    HG3  LYS  36           HG1      LYS  36  -0.804   9.700   4.585
  394    HD2  LYS  36           HD2      LYS  36  -2.595   8.337   3.522
  395    HD3  LYS  36           HD1      LYS  36  -1.499   6.955   3.588
  396    HE2  LYS  36           HE2      LYS  36  -2.978   6.857   5.478
  397    HE3  LYS  36           HE1      LYS  36  -1.358   7.247   6.047
  398    HZ1  LYS  36           HZ1      LYS  36  -2.007   9.569   6.202
  399    HZ2  LYS  36           HZ2      LYS  36  -3.044   8.605   7.129
  400    HZ3  LYS  36           HZ3      LYS  36  -3.555   9.199   5.635
  401    H    LEU  37           HN       LEU  37  -0.493   9.795  -0.384
  402    HA   LEU  37           HA       LEU  37   0.613  12.411  -0.447
  403    HB2  LEU  37           HB2      LEU  37   0.124  10.722  -2.885
  404    HB3  LEU  37           HB1      LEU  37   1.434  11.857  -2.572
  405    HG   LEU  37           HG       LEU  37   1.115   9.227  -1.124
  406   HD11  LEU  37          HD11      LEU  37   3.014   8.506  -2.572
  407   HD12  LEU  37          HD12      LEU  37   2.718   9.926  -3.573
  408   HD13  LEU  37          HD13      LEU  37   1.477   8.683  -3.408
  409   HD21  LEU  37          HD21      LEU  37   3.441   9.571  -0.528
  410   HD22  LEU  37          HD22      LEU  37   2.439  10.904   0.054
  411   HD23  LEU  37          HD23      LEU  37   3.442  11.114  -1.384
  412    H    HIS  38           HN       HIS  38  -2.335  10.905  -1.603
  413    HA   HIS  38           HA       HIS  38  -2.960  13.355  -3.105
  414    HB2  HIS  38           HB2      HIS  38  -3.360  10.480  -3.858
  415    HB3  HIS  38           HB1      HIS  38  -4.126  11.802  -4.720
  416    HD1  HIS  38           HD1      HIS  38  -1.825  13.787  -4.930
  417    HD2  HIS  38           HD2      HIS  38  -1.356   9.706  -5.502
  418    HE1  HIS  38           HE1      HIS  38   0.323  13.527  -6.197
  419    HE2  HIS  38           HE2      HIS  38   0.676  11.046  -6.369
  420    H    ASN  39           HN       ASN  39  -4.023  11.603  -0.527
  421    HA   ASN  39           HA       ASN  39  -5.975  11.558   0.688
  422    HB2  ASN  39           HB2      ASN  39  -6.922  13.604  -1.267
  423    HB3  ASN  39           HB1      ASN  39  -7.645  13.250   0.276
  424   HD21  ASN  39          HD21      ASN  39  -6.910  15.919  -0.163
  425   HD22  ASN  39          HD22      ASN  39  -5.524  16.280   0.795
  426    H    VAL  40           HN       VAL  40  -5.656  10.022  -1.916
  427    HA   VAL  40           HA       VAL  40  -8.409   9.123  -1.961
  428    HB   VAL  40           HB       VAL  40  -8.091   8.841  -4.588
  429   HG11  VAL  40          HG11      VAL  40  -9.135  11.299  -3.213
  430   HG12  VAL  40          HG12      VAL  40 -10.020   9.808  -3.539
  431   HG13  VAL  40          HG13      VAL  40  -9.494  10.833  -4.874
  432   HG21  VAL  40          HG21      VAL  40  -5.945  10.058  -4.631
  433   HG22  VAL  40          HG22      VAL  40  -6.780  11.502  -4.049
  434   HG23  VAL  40          HG23      VAL  40  -7.185  10.810  -5.624
  435    H    ASN  41           HN       ASN  41  -8.639   7.036  -3.125
  436    HA   ASN  41           HA       ASN  41  -6.604   5.308  -2.168
  437    HB2  ASN  41           HB2      ASN  41  -9.148   4.870  -3.685
  438    HB3  ASN  41           HB1      ASN  41  -7.960   3.589  -3.619
  439   HD21  ASN  41          HD21      ASN  41 -10.118   5.564  -1.771
  440   HD22  ASN  41          HD22      ASN  41 -10.133   4.592  -0.349
  441    H    ARG  42           HN       ARG  42  -5.535   3.653  -3.573
  442    HA   ARG  42           HA       ARG  42  -4.137   5.129  -5.637
  443    HB2  ARG  42           HB2      ARG  42  -3.130   3.672  -3.734
  444    HB3  ARG  42           HB1      ARG  42  -3.503   2.325  -4.771
  445    HG2  ARG  42           HG2      ARG  42  -1.757   4.638  -5.560
  446    HG3  ARG  42           HG1      ARG  42  -1.158   3.127  -4.892
  447    HD2  ARG  42           HD2      ARG  42  -2.292   1.986  -6.856
  448    HD3  ARG  42           HD1      ARG  42  -2.495   3.600  -7.543
  449    HE   ARG  42           HE       ARG  42   0.197   3.104  -6.722
  450   HH11  ARG  42          HH11      ARG  42  -2.069   2.551  -9.345
  451   HH12  ARG  42          HH12      ARG  42  -0.819   2.352 -10.531
  452   HH21  ARG  42          HH21      ARG  42   1.820   2.841  -8.279
  453   HH22  ARG  42          HH22      ARG  42   1.391   2.515  -9.930
  454    HA   PRO  43           HA       PRO  43  -6.815   3.095  -8.739
  455    HB2  PRO  43           HB2      PRO  43  -4.801   4.558 -10.396
  456    HB3  PRO  43           HB1      PRO  43  -6.555   4.438 -10.607
  457    HG2  PRO  43           HG2      PRO  43  -5.542   6.655  -9.619
  458    HG3  PRO  43           HG1      PRO  43  -6.987   5.943  -8.873
  459    HD2  PRO  43           HD2      PRO  43  -4.132   5.842  -7.950
  460    HD3  PRO  43           HD1      PRO  43  -5.645   6.115  -6.999
  461    H    LEU  44           HN       LEU  44  -6.410   1.047  -9.161
  462    HA   LEU  44           HA       LEU  44  -3.666   0.221  -9.660
  463    HB2  LEU  44           HB2      LEU  44  -5.788  -1.280  -8.116
  464    HB3  LEU  44           HB1      LEU  44  -4.158  -1.845  -8.421
  465    HG   LEU  44           HG       LEU  44  -4.567   0.720  -6.937
  466   HD11  LEU  44          HD11      LEU  44  -6.005  -0.928  -5.836
  467   HD12  LEU  44          HD12      LEU  44  -4.613  -0.495  -4.846
  468   HD13  LEU  44          HD13      LEU  44  -4.633  -2.029  -5.716
  469   HD21  LEU  44          HD21      LEU  44  -2.480  -1.442  -6.727
  470   HD22  LEU  44          HD22      LEU  44  -2.472   0.118  -5.899
  471   HD23  LEU  44          HD23      LEU  44  -2.303   0.046  -7.657
  472    H    THR  45           HN       THR  45  -4.524  -2.496 -10.035
  473    HA   THR  45           HA       THR  45  -6.063  -2.313 -12.505
  474    HB   THR  45           HB       THR  45  -4.278  -3.816 -13.589
  475    HG1  THR  45           HG1      THR  45  -2.873  -4.367 -12.049
  476   HG21  THR  45          HG21      THR  45  -4.616  -1.479 -14.252
  477   HG22  THR  45          HG22      THR  45  -2.911  -1.927 -14.307
  478   HG23  THR  45          HG23      THR  45  -3.526  -0.958 -12.967
  479    H    MET  46           HN       MET  46  -5.373  -5.040 -13.329
  480    HA   MET  46           HA       MET  46  -6.950  -6.490 -11.330
  481    HB2  MET  46           HB2      MET  46  -5.953  -7.587 -13.974
  482    HB3  MET  46           HB1      MET  46  -7.276  -8.173 -12.985
  483    HG2  MET  46           HG2      MET  46  -8.606  -6.237 -13.506
  484    HG3  MET  46           HG1      MET  46  -7.268  -5.527 -14.406
  485    HE1  MET  46           HE1      MET  46  -6.958  -7.922 -17.479
  486    HE2  MET  46           HE2      MET  46  -6.094  -8.102 -15.953
  487    HE3  MET  46           HE3      MET  46  -6.314  -6.500 -16.657
  488    H    LYS  47           HN       LYS  47  -5.969  -9.084 -11.747
  489    HA   LYS  47           HA       LYS  47  -3.550  -9.065 -10.227
  490    HB2  LYS  47           HB2      LYS  47  -4.891 -11.331 -11.721
  491    HB3  LYS  47           HB1      LYS  47  -3.570 -11.517 -10.578
  492    HG2  LYS  47           HG2      LYS  47  -4.946 -10.718  -8.777
  493    HG3  LYS  47           HG1      LYS  47  -6.261 -10.361  -9.896
  494    HD2  LYS  47           HD2      LYS  47  -6.426 -12.749 -10.442
  495    HD3  LYS  47           HD1      LYS  47  -5.131 -13.091  -9.294
  496    HE2  LYS  47           HE2      LYS  47  -6.487 -12.250  -7.472
  497    HE3  LYS  47           HE1      LYS  47  -7.764 -11.800  -8.600
  498    HZ1  LYS  47           HZ1      LYS  47  -8.250 -13.884  -7.487
  499    HZ2  LYS  47           HZ2      LYS  47  -6.820 -14.565  -8.078
  500    HZ3  LYS  47           HZ3      LYS  47  -8.053 -14.134  -9.147
  501    H    LYS  48           HN       LYS  48  -4.385  -9.805 -13.586
  502    HA   LYS  48           HA       LYS  48  -1.567  -9.797 -14.338
  503    HB2  LYS  48           HB2      LYS  48  -4.090 -10.298 -15.923
  504    HB3  LYS  48           HB1      LYS  48  -2.479 -10.321 -16.620
  505    HG2  LYS  48           HG2      LYS  48  -3.395 -12.121 -14.391
  506    HG3  LYS  48           HG1      LYS  48  -3.381 -12.563 -16.097
  507    HD2  LYS  48           HD2      LYS  48  -0.897 -11.613 -14.703
  508    HD3  LYS  48           HD1      LYS  48  -1.400 -13.297 -14.633
  509    HE2  LYS  48           HE2      LYS  48   0.139 -13.165 -16.408
  510    HE3  LYS  48           HE1      LYS  48  -1.447 -13.251 -17.162
  511    HZ1  LYS  48           HZ1      LYS  48  -0.021 -10.696 -16.693
  512    HZ2  LYS  48           HZ2      LYS  48  -1.377 -10.956 -17.669
  513    HZ3  LYS  48           HZ3      LYS  48   0.122 -11.583 -18.120
  514    H    GLU  49           HN       GLU  49  -2.143  -7.378 -13.369
  515    HA   GLU  49           HA       GLU  49  -2.179  -5.144 -13.756
  516    HB2  GLU  49           HB2      GLU  49  -0.980  -6.033 -16.382
  517    HB3  GLU  49           HB1      GLU  49  -0.926  -4.395 -15.744
  518    HG2  GLU  49           HG2      GLU  49   0.381  -5.162 -13.844
  519    HG3  GLU  49           HG1      GLU  49   0.298  -6.818 -14.445
  Start of MODEL    5
    1    H1   MET -18           HT1      MET -18  16.557  14.171 -16.731
    2    H2   MET -18           HT2      MET -18  16.406  12.492 -16.820
    3    H3   MET -18           HT3      MET -18  16.236  13.429 -18.214
    4    HA   MET -18           HA       MET -18  18.527  14.110 -18.098
    5    HB2  MET -18           HB2      MET -18  18.518  12.354 -15.646
    6    HB3  MET -18           HB1      MET -18  19.998  12.784 -16.490
    7    HG2  MET -18           HG2      MET -18  18.061  14.755 -15.304
    8    HG3  MET -18           HG1      MET -18  19.542  14.200 -14.530
    9    HE1  MET -18           HE1      MET -18  22.322  15.655 -16.834
   10    HE2  MET -18           HE2      MET -18  21.616  14.043 -16.930
   11    HE3  MET -18           HE3      MET -18  21.959  14.762 -15.357
   12    H    ALA -17           HN       ALA -17  17.899  10.769 -17.025
   13    HA   ALA -17           HA       ALA -17  18.185   9.807 -19.739
   14    HB1  ALA -17           HB1      ALA -17  20.131   8.931 -17.603
   15    HB2  ALA -17           HB2      ALA -17  20.518   9.938 -18.997
   16    HB3  ALA -17           HB3      ALA -17  20.010   8.266 -19.231
   17    H    HIS -16           HN       HIS -16  15.923   9.732 -18.389
   18    HA   HIS -16           HA       HIS -16  15.684   7.406 -16.706
   19    HB2  HIS -16           HB2      HIS -16  14.322   9.514 -16.430
   20    HB3  HIS -16           HB1      HIS -16  13.457   9.072 -17.896
   21    HD1  HIS -16           HD1      HIS -16  11.660   7.281 -17.706
   22    HD2  HIS -16           HD2      HIS -16  13.774   7.859 -14.178
   23    HE1  HIS -16           HE1      HIS -16  10.389   6.018 -15.948
   24    HE2  HIS -16           HE2      HIS -16  11.617   6.479 -13.796
   25    H    HIS -15           HN       HIS -15  16.686   6.141 -18.593
   26    HA   HIS -15           HA       HIS -15  14.479   5.016 -20.197
   27    HB2  HIS -15           HB2      HIS -15  16.093   4.347 -21.895
   28    HB3  HIS -15           HB1      HIS -15  16.199   6.078 -21.621
   29    HD1  HIS -15           HD1      HIS -15  18.152   2.929 -21.392
   30    HD2  HIS -15           HD2      HIS -15  18.609   6.935 -20.374
   31    HE1  HIS -15           HE1      HIS -15  20.608   3.241 -20.954
   32    HE2  HIS -15           HE2      HIS -15  20.841   5.640 -20.220
   33    H    HIS -14           HN       HIS -14  15.514   4.463 -17.472
   34    HA   HIS -14           HA       HIS -14  15.661   1.570 -17.734
   35    HB2  HIS -14           HB2      HIS -14  18.017   2.309 -17.629
   36    HB3  HIS -14           HB1      HIS -14  17.677   3.177 -16.139
   37    HD1  HIS -14           HD1      HIS -14  18.197  -0.270 -17.495
   38    HD2  HIS -14           HD2      HIS -14  17.546   1.596 -13.841
   39    HE1  HIS -14           HE1      HIS -14  18.689  -2.012 -15.751
   40    HE2  HIS -14           HE2      HIS -14  18.477  -0.797 -13.554
   41    H    HIS -13           HN       HIS -13  13.616   1.447 -16.841
   42    HA   HIS -13           HA       HIS -13  12.746   2.957 -14.635
   43    HB2  HIS -13           HB2      HIS -13  10.841   1.457 -14.516
   44    HB3  HIS -13           HB1      HIS -13  11.192   1.827 -16.196
   45    HD1  HIS -13           HD1      HIS -13  11.749  -0.118 -17.729
   46    HD2  HIS -13           HD2      HIS -13  11.436  -1.226 -13.733
   47    HE1  HIS -13           HE1      HIS -13  11.758  -2.630 -17.719
   48    HE2  HIS -13           HE2      HIS -13  11.387  -3.272 -15.316
   49    H    HIS -12           HN       HIS -12  12.561   2.487 -12.467
   50    HA   HIS -12           HA       HIS -12  14.179   0.217 -11.534
   51    HB2  HIS -12           HB2      HIS -12  14.724   1.616  -9.515
   52    HB3  HIS -12           HB1      HIS -12  15.439   2.180 -11.017
   53    HD1  HIS -12           HD1      HIS -12  13.111   3.174  -8.300
   54    HD2  HIS -12           HD2      HIS -12  14.353   4.616 -12.000
   55    HE1  HIS -12           HE1      HIS -12  12.369   5.576  -8.381
   56    HE2  HIS -12           HE2      HIS -12  13.210   6.451 -10.587
   57    H    HIS -11           HN       HIS -11  13.062  -1.239 -10.499
   58    HA   HIS -11           HA       HIS -11  10.349  -0.727  -9.680
   59    HB2  HIS -11           HB2      HIS -11  11.085  -2.866 -10.749
   60    HB3  HIS -11           HB1      HIS -11  12.020  -3.226  -9.303
   61    HD1  HIS -11           HD1      HIS -11  10.837  -4.526  -7.544
   62    HD2  HIS -11           HD2      HIS -11   8.200  -2.675 -10.174
   63    HE1  HIS -11           HE1      HIS -11   8.546  -5.343  -6.896
   64    HE2  HIS -11           HE2      HIS -11   6.973  -4.261  -8.544
   65    H    SER -10           HN       SER -10  10.951   0.923  -8.105
   66    HA   SER -10           HA       SER -10  12.308   0.054  -5.705
   67    HB2  SER -10           HB2      SER -10  10.942   2.677  -6.352
   68    HB3  SER -10           HB1      SER -10  11.994   2.372  -4.969
   69    HG   SER -10           HG       SER -10  13.700   1.993  -6.412
   70    H    SER  -9           HN       SER  -9  11.148  -1.331  -4.508
   71    HA   SER  -9           HA       SER  -9   8.504  -0.421  -3.605
   72    HB2  SER  -9           HB2      SER  -9   9.246  -3.288  -4.253
   73    HB3  SER  -9           HB1      SER  -9   7.682  -2.724  -3.661
   74    HG   SER  -9           HG       SER  -9   8.628  -1.457  -5.934
   75    H    GLY  -8           HN       GLY  -8  10.325   0.380  -2.048
   76    HA2  GLY  -8           HA2      GLY  -8  11.409  -1.508  -0.205
   77    HA3  GLY  -8           HA1      GLY  -8  11.360   0.235   0.000
   78    H    LEU  -7           HN       LEU  -7   8.389   0.066  -0.495
   79    HA   LEU  -7           HA       LEU  -7   6.452  -0.070   0.651
   80    HB2  LEU  -7           HB2      LEU  -7   7.799  -2.157   2.366
   81    HB3  LEU  -7           HB1      LEU  -7   6.078  -1.842   2.263
   82    HG   LEU  -7           HG       LEU  -7   7.805  -2.950   0.045
   83   HD11  LEU  -7          HD11      LEU  -7   7.429  -4.542   1.850
   84   HD12  LEU  -7          HD12      LEU  -7   6.526  -5.001   0.407
   85   HD13  LEU  -7          HD13      LEU  -7   5.691  -4.245   1.765
   86   HD21  LEU  -7          HD21      LEU  -7   5.688  -3.297  -1.140
   87   HD22  LEU  -7          HD22      LEU  -7   5.997  -1.587  -0.847
   88   HD23  LEU  -7          HD23      LEU  -7   4.830  -2.455   0.150
   89    H    GLU  -6           HN       GLU  -6   7.306   2.114   1.269
   90    HA   GLU  -6           HA       GLU  -6   6.725   2.450   4.054
   91    HB2  GLU  -6           HB2      GLU  -6   9.132   1.999   4.202
   92    HB3  GLU  -6           HB1      GLU  -6   9.452   3.282   3.044
   93    HG2  GLU  -6           HG2      GLU  -6   9.899   3.974   5.347
   94    HG3  GLU  -6           HG1      GLU  -6   8.632   4.941   4.593
   95    H    VAL  -5           HN       VAL  -5   5.976   4.506   4.515
   96    HA   VAL  -5           HA       VAL  -5   6.075   6.454   2.310
   97    HB   VAL  -5           HB       VAL  -5   3.804   5.280   2.586
   98   HG11  VAL  -5          HG11      VAL  -5   2.320   6.231   4.278
   99   HG12  VAL  -5          HG12      VAL  -5   3.679   7.117   4.971
  100   HG13  VAL  -5          HG13      VAL  -5   3.663   5.353   5.009
  101   HG21  VAL  -5          HG21      VAL  -5   3.947   8.282   2.691
  102   HG22  VAL  -5          HG22      VAL  -5   2.598   7.321   2.078
  103   HG23  VAL  -5          HG23      VAL  -5   4.161   7.270   1.263
  104    H    LEU  -4           HN       LEU  -4   6.547   5.743   5.573
  105    HA   LEU  -4           HA       LEU  -4   7.573   6.908   7.213
  106    HB2  LEU  -4           HB2      LEU  -4   8.745   8.075   5.341
  107    HB3  LEU  -4           HB1      LEU  -4   7.505   9.308   5.387
  108    HG   LEU  -4           HG       LEU  -4   9.730   9.827   6.521
  109   HD11  LEU  -4          HD11      LEU  -4   7.765  11.208   6.857
  110   HD12  LEU  -4          HD12      LEU  -4   8.676  11.048   8.358
  111   HD13  LEU  -4          HD13      LEU  -4   7.195  10.120   8.123
  112   HD21  LEU  -4          HD21      LEU  -4  10.006   7.684   7.661
  113   HD22  LEU  -4          HD22      LEU  -4   8.582   8.023   8.644
  114   HD23  LEU  -4          HD23      LEU  -4  10.019   9.033   8.797
  115    H    PHE  -3           HN       PHE  -3   5.244   9.222   5.716
  116    HA   PHE  -3           HA       PHE  -3   4.560  10.064   8.415
  117    HB2  PHE  -3           HB2      PHE  -3   3.254  11.877   7.259
  118    HB3  PHE  -3           HB1      PHE  -3   4.984  11.885   6.967
  119    HD1  PHE  -3           HD1      PHE  -3   5.840  11.003   4.766
  120    HD2  PHE  -3           HD2      PHE  -3   1.715  11.755   5.489
  121    HE1  PHE  -3           HE1      PHE  -3   5.420  11.017   2.343
  122    HE2  PHE  -3           HE2      PHE  -3   1.292  11.780   3.065
  123    HZ   PHE  -3           HZ       PHE  -3   3.153  11.497   1.490
  124    H    GLN  -2           HN       GLN  -2   3.650   7.697   8.408
  125    HA   GLN  -2           HA       GLN  -2   0.934   7.957   9.025
  126    HB2  GLN  -2           HB2      GLN  -2   0.544   7.933   6.608
  127    HB3  GLN  -2           HB1      GLN  -2   1.481   6.453   6.452
  128    HG2  GLN  -2           HG2      GLN  -2  -0.776   5.808   6.355
  129    HG3  GLN  -2           HG1      GLN  -2  -0.217   5.361   7.966
  130   HE21  GLN  -2          HE21      GLN  -2  -2.230   5.392   8.899
  131   HE22  GLN  -2          HE22      GLN  -2  -3.146   6.837   9.126
  132    H    GLY  -1           HN       GLY  -1   0.718   6.561  10.671
  133    HA2  GLY  -1           HA2      GLY  -1   2.751   4.594  11.142
  134    HA3  GLY  -1           HA1      GLY  -1   1.382   4.948  12.180
  135    HA   PRO   0           HA       PRO   0   0.304   1.151   9.587
  136    HB2  PRO   0           HB2      PRO   0   2.344  -0.488   9.103
  137    HB3  PRO   0           HB1      PRO   0   2.080   0.943   8.099
  138    HG2  PRO   0           HG2      PRO   0   4.121   0.457  10.201
  139    HG3  PRO   0           HG1      PRO   0   4.223   1.455   8.743
  140    HD2  PRO   0           HD2      PRO   0   3.661   2.321  11.400
  141    HD3  PRO   0           HD1      PRO   0   3.630   3.296   9.918
  142    H    ARG   1           HN       ARG   1  -0.250  -0.942  10.382
  143    HA   ARG   1           HA       ARG   1   1.099  -2.258  12.487
  144    HB2  ARG   1           HB2      ARG   1   0.238  -0.339  13.796
  145    HB3  ARG   1           HB1      ARG   1  -1.399  -0.775  13.326
  146    HG2  ARG   1           HG2      ARG   1  -1.113  -2.947  14.462
  147    HG3  ARG   1           HG1      ARG   1   0.486  -2.424  14.997
  148    HD2  ARG   1           HD2      ARG   1  -1.150  -2.085  16.757
  149    HD3  ARG   1           HD1      ARG   1  -0.538  -0.539  16.177
  150    HE   ARG   1           HE       ARG   1  -3.045  -1.533  15.050
  151   HH11  ARG   1          HH11      ARG   1  -1.403   0.696  17.187
  152   HH12  ARG   1          HH12      ARG   1  -2.760   1.762  17.333
  153   HH21  ARG   1          HH21      ARG   1  -4.838  -0.120  15.223
  154   HH22  ARG   1          HH22      ARG   1  -4.718   1.293  16.219
  155    H    ARG   2           HN       ARG   2   0.753  -4.089  11.311
  156    HA   ARG   2           HA       ARG   2  -1.250  -5.816  11.878
  157    HB2  ARG   2           HB2      ARG   2  -2.313  -3.855  10.074
  158    HB3  ARG   2           HB1      ARG   2  -2.231  -5.378   9.215
  159    HG2  ARG   2           HG2      ARG   2  -3.658  -6.440  10.693
  160    HG3  ARG   2           HG1      ARG   2  -3.404  -5.220  11.930
  161    HD2  ARG   2           HD2      ARG   2  -4.696  -3.618  10.753
  162    HD3  ARG   2           HD1      ARG   2  -4.729  -4.624   9.306
  163    HE   ARG   2           HE       ARG   2  -5.978  -6.234  10.951
  164   HH11  ARG   2          HH11      ARG   2  -6.323  -2.751  10.760
  165   HH12  ARG   2          HH12      ARG   2  -7.993  -2.765  11.222
  166   HH21  ARG   2          HH21      ARG   2  -8.178  -6.252  11.533
  167   HH22  ARG   2          HH22      ARG   2  -9.053  -4.758  11.643
  168    H    ALA   3           HN       ALA   3  -1.091  -7.854  10.593
  169    HA   ALA   3           HA       ALA   3   1.148  -7.785   8.675
  170    HB1  ALA   3           HB1      ALA   3   0.889  -9.945  10.767
  171    HB2  ALA   3           HB2      ALA   3   1.953  -8.544  10.915
  172    HB3  ALA   3           HB3      ALA   3   2.200  -9.703   9.613
  173    H    GLY   4           HN       GLY   4  -1.184 -10.153  10.011
  174    HA2  GLY   4           HA2      GLY   4  -1.357 -11.421   7.375
  175    HA3  GLY   4           HA1      GLY   4  -2.031 -12.027   8.880
  176    H    THR   5           HN       THR   5  -2.459  -9.068   6.886
  177    HA   THR   5           HA       THR   5  -5.341  -9.381   7.370
  178    HB   THR   5           HB       THR   5  -3.967  -6.719   7.009
  179    HG1  THR   5           HG1      THR   5  -3.994  -8.451   9.200
  180   HG21  THR   5          HG21      THR   5  -6.597  -7.612   8.241
  181   HG22  THR   5          HG22      THR   5  -6.371  -6.569   6.836
  182   HG23  THR   5          HG23      THR   5  -5.932  -6.000   8.447
  183    H    CYS   6           HN       CYS   6  -6.524  -7.725   5.745
  184    HA   CYS   6           HA       CYS   6  -5.391  -8.098   3.059
  185    HB2  CYS   6           HB2      CYS   6  -8.018  -8.013   2.515
  186    HB3  CYS   6           HB1      CYS   6  -7.178  -9.499   2.898
  187    HG   CYS   6           HG       CYS   6  -9.791  -8.296   4.326
  188    H    CYS   7           HN       CYS   7  -5.958  -6.491   1.478
  189    HA   CYS   7           HA       CYS   7  -5.796  -3.905   2.753
  190    HB2  CYS   7           HB2      CYS   7  -4.219  -4.573   0.964
  191    HB3  CYS   7           HB1      CYS   7  -5.531  -4.547  -0.170
  192    H    ALA   8           HN       ALA   8  -7.373  -2.510   3.011
  193    HA   ALA   8           HA       ALA   8 -10.036  -2.925   2.365
  194    HB1  ALA   8           HB1      ALA   8  -9.247  -1.521   4.220
  195    HB2  ALA   8           HB2      ALA   8 -10.450  -0.718   3.215
  196    HB3  ALA   8           HB3      ALA   8  -8.745  -0.302   3.043
  197    H    ASN   9           HN       ASN   9  -8.354  -2.867  -0.054
  198    HA   ASN   9           HA       ASN   9  -9.977  -1.169  -1.681
  199    HB2  ASN   9           HB2      ASN   9  -8.425   0.511  -0.868
  200    HB3  ASN   9           HB1      ASN   9  -7.040  -0.515  -1.361
  201   HD21  ASN   9          HD21      ASN   9  -6.261  -0.298  -3.359
  202   HD22  ASN   9          HD22      ASN   9  -6.968   0.647  -4.619
  203    H    CYS  10           HN       CYS  10  -7.002  -3.172  -1.511
  204    HA   CYS  10           HA       CYS  10  -7.734  -4.037  -4.234
  205    HB2  CYS  10           HB2      CYS  10  -5.471  -3.992  -4.921
  206    HB3  CYS  10           HB1      CYS  10  -5.749  -2.489  -4.022
  207    H    GLN  11           HN       GLN  11  -7.770  -5.070  -1.234
  208    HA   GLN  11           HA       GLN  11  -7.599  -6.977  -0.057
  209    HB2  GLN  11           HB2      GLN  11  -8.783  -7.719  -2.690
  210    HB3  GLN  11           HB1      GLN  11  -8.648  -8.896  -1.391
  211    HG2  GLN  11           HG2      GLN  11  -9.966  -7.420   0.056
  212    HG3  GLN  11           HG1      GLN  11 -10.100  -6.262  -1.264
  213   HE21  GLN  11          HE21      GLN  11 -10.247  -9.728  -1.719
  214   HE22  GLN  11          HE22      GLN  11 -11.919  -9.791  -2.143
  215    H    THR  12           HN       THR  12  -5.080  -6.511  -1.885
  216    HA   THR  12           HA       THR  12  -3.940  -9.067  -2.052
  217    HB   THR  12           HB       THR  12  -2.931  -6.907  -3.006
  218    HG1  THR  12           HG1      THR  12  -1.289  -8.207  -3.215
  219   HG21  THR  12          HG21      THR  12  -3.052  -5.603  -0.870
  220   HG22  THR  12          HG22      THR  12  -1.428  -5.641  -1.566
  221   HG23  THR  12          HG23      THR  12  -1.818  -6.675  -0.192
  222    H    THR  13           HN       THR  13  -2.501 -10.046  -0.584
  223    HA   THR  13           HA       THR  13  -2.698  -9.119   2.193
  224    HB   THR  13           HB       THR  13  -2.703 -11.540   2.901
  225    HG1  THR  13           HG1      THR  13  -3.207 -11.857   0.114
  226   HG21  THR  13          HG21      THR  13  -5.101 -10.641   1.303
  227   HG22  THR  13          HG22      THR  13  -4.702 -10.077   2.928
  228   HG23  THR  13          HG23      THR  13  -5.094 -11.778   2.654
  229    H    THR  14           HN       THR  14  -0.799  -9.621  -0.328
  230    HA   THR  14           HA       THR  14   1.497 -10.612   1.132
  231    HB   THR  14           HB       THR  14   2.010  -9.606  -1.550
  232    HG1  THR  14           HG1      THR  14   0.452 -11.872  -1.761
  233   HG21  THR  14          HG21      THR  14   2.130 -12.362  -0.357
  234   HG22  THR  14          HG22      THR  14   3.427 -11.163  -0.301
  235   HG23  THR  14          HG23      THR  14   2.909 -11.837  -1.848
  236    H    THR  15           HN       THR  15   1.236  -8.653   2.545
  237    HA   THR  15           HA       THR  15   2.827  -6.499   1.410
  238    HB   THR  15           HB       THR  15   0.338  -5.675   2.918
  239    HG1  THR  15           HG1      THR  15   0.648  -6.448   0.232
  240   HG21  THR  15          HG21      THR  15   2.280  -4.144   2.643
  241   HG22  THR  15          HG22      THR  15   0.799  -3.560   1.901
  242   HG23  THR  15          HG23      THR  15   2.070  -4.258   0.902
  243    H    THR  16           HN       THR  16   4.262  -5.696   2.825
  244    HA   THR  16           HA       THR  16   4.200  -6.686   5.575
  245    HB   THR  16           HB       THR  16   6.430  -5.060   4.373
  246    HG1  THR  16           HG1      THR  16   5.950  -7.853   3.999
  247   HG21  THR  16          HG21      THR  16   7.811  -6.446   5.846
  248   HG22  THR  16          HG22      THR  16   6.381  -7.346   6.352
  249   HG23  THR  16          HG23      THR  16   6.537  -5.638   6.760
  250    H    LEU  17           HN       LEU  17   2.884  -4.134   4.066
  251    HA   LEU  17           HA       LEU  17   3.480  -2.249   6.297
  252    HB2  LEU  17           HB2      LEU  17   4.714  -1.774   4.070
  253    HB3  LEU  17           HB1      LEU  17   3.143  -1.301   3.464
  254    HG   LEU  17           HG       LEU  17   2.976   0.418   5.215
  255   HD11  LEU  17          HD11      LEU  17   5.030   0.931   6.521
  256   HD12  LEU  17          HD12      LEU  17   5.743  -0.563   5.915
  257   HD13  LEU  17          HD13      LEU  17   4.310  -0.623   6.940
  258   HD21  LEU  17          HD21      LEU  17   3.867   1.117   3.114
  259   HD22  LEU  17          HD22      LEU  17   5.460   0.476   3.509
  260   HD23  LEU  17          HD23      LEU  17   4.826   1.870   4.382
  261    H    TRP  18           HN       TRP  18   1.436  -2.804   7.175
  262    HA   TRP  18           HA       TRP  18  -0.870  -2.126   5.612
  263    HB2  TRP  18           HB2      TRP  18  -0.707  -3.362   8.338
  264    HB3  TRP  18           HB1      TRP  18  -2.163  -3.098   7.454
  265    HD1  TRP  18           HD1      TRP  18   0.724  -5.481   7.671
  266    HE1  TRP  18           HE1      TRP  18   0.320  -7.420   6.097
  267    HE3  TRP  18           HE3      TRP  18  -3.263  -3.666   5.062
  268    HZ2  TRP  18           HZ2      TRP  18  -1.405  -8.154   4.048
  269    HZ3  TRP  18           HZ3      TRP  18  -4.281  -5.067   3.310
  270    HH2  TRP  18           HH2      TRP  18  -3.367  -7.239   2.779
  271    H    ARG  19           HN       ARG  19  -0.893   0.020   5.457
  272    HA   ARG  19           HA       ARG  19  -0.860   1.766   7.826
  273    HB2  ARG  19           HB2      ARG  19  -1.719   3.142   5.462
  274    HB3  ARG  19           HB1      ARG  19  -0.170   3.259   6.269
  275    HG2  ARG  19           HG2      ARG  19   0.242   1.002   4.909
  276    HG3  ARG  19           HG1      ARG  19  -0.948   1.756   3.853
  277    HD2  ARG  19           HD2      ARG  19   1.068   2.501   2.986
  278    HD3  ARG  19           HD1      ARG  19   0.619   3.859   4.022
  279    HE   ARG  19           HE       ARG  19   2.805   1.985   4.369
  280   HH11  ARG  19          HH11      ARG  19   0.865   4.445   5.891
  281   HH12  ARG  19          HH12      ARG  19   2.015   4.734   7.162
  282   HH21  ARG  19          HH21      ARG  19   4.338   2.414   6.017
  283   HH22  ARG  19          HH22      ARG  19   3.975   3.608   7.222
  284    H    ARG  20           HN       ARG  20  -2.749   3.402   7.979
  285    HA   ARG  20           HA       ARG  20  -5.277   2.023   7.533
  286    HB2  ARG  20           HB2      ARG  20  -4.508   4.345   9.286
  287    HB3  ARG  20           HB1      ARG  20  -6.173   3.912   8.993
  288    HG2  ARG  20           HG2      ARG  20  -4.146   2.617  10.666
  289    HG3  ARG  20           HG1      ARG  20  -5.883   2.799  10.883
  290    HD2  ARG  20           HD2      ARG  20  -6.224   1.055   9.146
  291    HD3  ARG  20           HD1      ARG  20  -4.478   0.793   9.136
  292    HE   ARG  20           HE       ARG  20  -6.250   0.319  11.446
  293   HH11  ARG  20          HH11      ARG  20  -3.308  -0.372   9.668
  294   HH12  ARG  20          HH12      ARG  20  -2.812  -1.635  10.749
  295   HH21  ARG  20          HH21      ARG  20  -5.606  -1.346  12.848
  296   HH22  ARG  20          HH22      ARG  20  -4.113  -2.194  12.554
  297    H    ASN  21           HN       ASN  21  -6.953   2.951   6.419
  298    HA   ASN  21           HA       ASN  21  -6.298   5.288   4.805
  299    HB2  ASN  21           HB2      ASN  21  -8.233   4.856   3.452
  300    HB3  ASN  21           HB1      ASN  21  -7.412   3.295   3.723
  301   HD21  ASN  21          HD21      ASN  21  -9.575   2.534   2.991
  302   HD22  ASN  21          HD22      ASN  21 -10.830   2.397   4.142
  303    H    ALA  22           HN       ALA  22  -8.933   6.494   4.584
  304    HA   ALA  22           HA       ALA  22  -8.587   8.373   6.600
  305    HB1  ALA  22           HB1      ALA  22 -10.674   9.346   5.862
  306    HB2  ALA  22           HB2      ALA  22 -11.094   7.852   5.022
  307    HB3  ALA  22           HB3      ALA  22  -9.719   8.811   4.481
  308    H    ASN  23           HN       ASN  23 -10.425   5.409   6.763
  309    HA   ASN  23           HA       ASN  23 -11.838   6.420   9.127
  310    HB2  ASN  23           HB2      ASN  23 -13.066   5.480   6.952
  311    HB3  ASN  23           HB1      ASN  23 -12.734   3.966   7.770
  312   HD21  ASN  23          HD21      ASN  23 -15.259   5.494   7.210
  313   HD22  ASN  23          HD22      ASN  23 -16.029   5.589   8.752
  314    H    GLY  24           HN       GLY  24  -9.145   5.149   8.524
  315    HA2  GLY  24           HA2      GLY  24  -7.700   4.030   9.935
  316    HA3  GLY  24           HA1      GLY  24  -9.066   3.691  10.973
  317    H    ASP  25           HN       ASP  25  -9.069   2.849   7.591
  318    HA   ASP  25           HA       ASP  25  -9.285   0.062   8.438
  319    HB2  ASP  25           HB2      ASP  25 -10.736   1.453   6.527
  320    HB3  ASP  25           HB1      ASP  25  -9.650   0.423   5.584
  321    HA   PRO  26           HA       PRO  26  -5.268  -1.021   7.279
  322    HB2  PRO  26           HB2      PRO  26  -5.783  -3.621   6.442
  323    HB3  PRO  26           HB1      PRO  26  -5.618  -3.104   8.151
  324    HG2  PRO  26           HG2      PRO  26  -8.079  -3.593   6.515
  325    HG3  PRO  26           HG1      PRO  26  -7.769  -3.965   8.235
  326    HD2  PRO  26           HD2      PRO  26  -9.258  -1.813   7.472
  327    HD3  PRO  26           HD1      PRO  26  -8.226  -1.783   8.912
  328    H    VAL  27           HN       VAL  27  -4.025  -0.711   5.541
  329    HA   VAL  27           HA       VAL  27  -4.979  -1.627   2.908
  330    HB   VAL  27           HB       VAL  27  -3.999   0.559   1.877
  331   HG11  VAL  27          HG11      VAL  27  -6.319  -0.163   1.578
  332   HG12  VAL  27          HG12      VAL  27  -6.186   1.591   1.746
  333   HG13  VAL  27          HG13      VAL  27  -6.743   0.618   3.106
  334   HG21  VAL  27          HG21      VAL  27  -4.896   1.606   4.550
  335   HG22  VAL  27          HG22      VAL  27  -4.597   2.591   3.121
  336   HG23  VAL  27          HG23      VAL  27  -3.280   1.698   3.858
  337    H    CYS  28           HN       CYS  28  -3.309  -1.999   1.452
  338    HA   CYS  28           HA       CYS  28  -0.803  -2.735   2.581
  339    HB2  CYS  28           HB2      CYS  28  -0.523  -3.757   0.443
  340    HB3  CYS  28           HB1      CYS  28  -2.254  -3.679   0.635
  341    H    ASN  29           HN       ASN  29   1.340  -1.847   1.294
  342    HA   ASN  29           HA       ASN  29   1.633   0.775   2.086
  343    HB2  ASN  29           HB2      ASN  29   3.688  -0.316   1.885
  344    HB3  ASN  29           HB1      ASN  29   3.259  -1.057   0.345
  345   HD21  ASN  29          HD21      ASN  29   2.980   2.436   1.018
  346   HD22  ASN  29          HD22      ASN  29   4.271   2.899  -0.017
  347    H    ALA  30           HN       ALA  30   1.208  -0.315  -1.296
  348    HA   ALA  30           HA       ALA  30   1.310   2.176  -2.476
  349    HB1  ALA  30           HB1      ALA  30   0.022   1.341  -4.303
  350    HB2  ALA  30           HB2      ALA  30  -0.480  -0.054  -3.348
  351    HB3  ALA  30           HB3      ALA  30   1.215   0.152  -3.786
  352    H    CYS  31           HN       CYS  31  -1.622   0.603  -1.210
  353    HA   CYS  31           HA       CYS  31  -3.322   2.728  -2.018
  354    HB2  CYS  31           HB2      CYS  31  -3.788   0.530  -0.061
  355    HB3  CYS  31           HB1      CYS  31  -5.026   1.562  -0.707
  356    H    GLY  32           HN       GLY  32  -1.753   1.949   1.049
  357    HA2  GLY  32           HA2      GLY  32  -2.881   4.226   2.433
  358    HA3  GLY  32           HA1      GLY  32  -1.473   3.276   2.970
  359    H    LEU  33           HN       LEU  33   0.047   3.677   0.566
  360    HA   LEU  33           HA       LEU  33   1.314   6.116   1.333
  361    HB2  LEU  33           HB2      LEU  33   2.549   4.174   0.467
  362    HB3  LEU  33           HB1      LEU  33   1.797   4.381  -1.088
  363    HG   LEU  33           HG       LEU  33   3.204   6.751  -0.195
  364   HD11  LEU  33          HD11      LEU  33   4.671   4.987   0.764
  365   HD12  LEU  33          HD12      LEU  33   5.428   5.897  -0.542
  366   HD13  LEU  33          HD13      LEU  33   4.797   4.280  -0.847
  367   HD21  LEU  33          HD21      LEU  33   4.013   6.635  -2.485
  368   HD22  LEU  33          HD22      LEU  33   2.268   6.383  -2.428
  369   HD23  LEU  33          HD23      LEU  33   3.350   5.006  -2.632
  370    H    TYR  34           HN       TYR  34  -0.719   5.026  -1.349
  371    HA   TYR  34           HA       TYR  34  -0.263   7.314  -2.853
  372    HB2  TYR  34           HB2      TYR  34  -1.000   5.196  -3.823
  373    HB3  TYR  34           HB1      TYR  34  -2.518   5.324  -2.950
  374    HD1  TYR  34           HD1      TYR  34  -4.223   6.911  -3.669
  375    HD2  TYR  34           HD2      TYR  34  -0.572   6.409  -5.781
  376    HE1  TYR  34           HE1      TYR  34  -5.238   7.937  -5.684
  377    HE2  TYR  34           HE2      TYR  34  -1.550   7.450  -7.767
  378    HH   TYR  34           HH       TYR  34  -4.569   9.072  -7.708
  379    H    TYR  35           HN       TYR  35  -2.874   6.346  -0.700
  380    HA   TYR  35           HA       TYR  35  -4.462   8.635  -1.030
  381    HB2  TYR  35           HB2      TYR  35  -5.164   6.522   0.136
  382    HB3  TYR  35           HB1      TYR  35  -4.175   7.020   1.490
  383    HD1  TYR  35           HD1      TYR  35  -7.357   7.245  -0.007
  384    HD2  TYR  35           HD2      TYR  35  -4.714   9.262   2.595
  385    HE1  TYR  35           HE1      TYR  35  -9.230   8.516   0.860
  386    HE2  TYR  35           HE2      TYR  35  -6.565  10.538   3.497
  387    HH   TYR  35           HH       TYR  35  -9.849   9.763   2.866
  388    H    LYS  36           HN       LYS  36  -1.515   8.116   0.705
  389    HA   LYS  36           HA       LYS  36  -1.837  10.331   2.448
  390    HB2  LYS  36           HB2      LYS  36   0.295   8.425   1.784
  391    HB3  LYS  36           HB1      LYS  36   0.834  10.010   2.319
  392    HG2  LYS  36           HG2      LYS  36   0.558   8.331   4.130
  393    HG3  LYS  36           HG1      LYS  36  -0.286   9.839   4.360
  394    HD2  LYS  36           HD2      LYS  36  -1.816   7.680   3.085
  395    HD3  LYS  36           HD1      LYS  36  -1.375   7.427   4.765
  396    HE2  LYS  36           HE2      LYS  36  -2.991   9.691   3.622
  397    HE3  LYS  36           HE1      LYS  36  -3.519   8.427   4.716
  398    HZ1  LYS  36           HZ1      LYS  36  -2.094   9.329   6.430
  399    HZ2  LYS  36           HZ2      LYS  36  -3.166  10.513   5.872
  400    HZ3  LYS  36           HZ3      LYS  36  -1.552  10.541   5.380
  401    H    LEU  37           HN       LEU  37  -0.452   9.769  -0.660
  402    HA   LEU  37           HA       LEU  37   0.646  12.373  -0.921
  403    HB2  LEU  37           HB2      LEU  37  -0.067  10.642  -3.269
  404    HB3  LEU  37           HB1      LEU  37   1.287  11.755  -3.081
  405    HG   LEU  37           HG       LEU  37   1.072   9.226  -1.487
  406   HD11  LEU  37          HD11      LEU  37   2.356   9.597  -4.186
  407   HD12  LEU  37          HD12      LEU  37   0.989   8.549  -3.799
  408   HD13  LEU  37          HD13      LEU  37   2.583   8.202  -3.134
  409   HD21  LEU  37          HD21      LEU  37   3.391  10.987  -2.263
  410   HD22  LEU  37          HD22      LEU  37   3.513   9.478  -1.362
  411   HD23  LEU  37          HD23      LEU  37   2.664  10.856  -0.660
  412    H    HIS  38           HN       HIS  38  -2.385  10.792  -1.822
  413    HA   HIS  38           HA       HIS  38  -3.121  13.180  -3.380
  414    HB2  HIS  38           HB2      HIS  38  -3.450  10.270  -4.062
  415    HB3  HIS  38           HB1      HIS  38  -4.278  11.553  -4.932
  416    HD1  HIS  38           HD1      HIS  38  -2.298   9.826  -6.481
  417    HD2  HIS  38           HD2      HIS  38  -1.221  13.317  -4.518
  418    HE1  HIS  38           HE1      HIS  38  -0.117  10.540  -7.509
  419    HE2  HIS  38           HE2      HIS  38   0.367  12.785  -6.484
  420    H    ASN  39           HN       ASN  39  -4.057  11.498  -0.713
  421    HA   ASN  39           HA       ASN  39  -5.959  11.543   0.583
  422    HB2  ASN  39           HB2      ASN  39  -5.837  13.928  -0.645
  423    HB3  ASN  39           HB1      ASN  39  -7.418  13.392  -1.178
  424   HD21  ASN  39          HD21      ASN  39  -7.773  11.857   1.405
  425   HD22  ASN  39          HD22      ASN  39  -8.146  13.072   2.571
  426    H    VAL  40           HN       VAL  40  -5.796   9.731  -1.737
  427    HA   VAL  40           HA       VAL  40  -8.551   8.890  -1.786
  428    HB   VAL  40           HB       VAL  40  -8.428   8.529  -4.339
  429   HG11  VAL  40          HG11      VAL  40  -9.436  10.716  -4.788
  430   HG12  VAL  40          HG12      VAL  40  -8.876  11.280  -3.214
  431   HG13  VAL  40          HG13      VAL  40 -10.061   9.977  -3.313
  432   HG21  VAL  40          HG21      VAL  40  -6.030   9.356  -4.433
  433   HG22  VAL  40          HG22      VAL  40  -6.694  10.982  -4.260
  434   HG23  VAL  40          HG23      VAL  40  -7.139   9.977  -5.649
  435    H    ASN  41           HN       ASN  41  -8.757   6.716  -2.855
  436    HA   ASN  41           HA       ASN  41  -6.602   5.083  -1.914
  437    HB2  ASN  41           HB2      ASN  41  -9.276   4.523  -3.138
  438    HB3  ASN  41           HB1      ASN  41  -8.073   3.257  -3.084
  439   HD21  ASN  41          HD21      ASN  41 -10.137   5.309  -1.233
  440   HD22  ASN  41          HD22      ASN  41 -10.007   4.449   0.261
  441    H    ARG  42           HN       ARG  42  -5.759   3.270  -3.318
  442    HA   ARG  42           HA       ARG  42  -4.608   4.570  -5.660
  443    HB2  ARG  42           HB2      ARG  42  -3.053   3.696  -4.017
  444    HB3  ARG  42           HB1      ARG  42  -3.773   2.115  -4.138
  445    HG2  ARG  42           HG2      ARG  42  -1.607   2.351  -5.329
  446    HG3  ARG  42           HG1      ARG  42  -2.940   1.794  -6.331
  447    HD2  ARG  42           HD2      ARG  42  -3.220   4.054  -7.213
  448    HD3  ARG  42           HD1      ARG  42  -1.873   4.605  -6.216
  449    HE   ARG  42           HE       ARG  42  -0.576   2.815  -7.541
  450   HH11  ARG  42          HH11      ARG  42  -3.176   4.773  -8.841
  451   HH12  ARG  42          HH12      ARG  42  -2.582   4.709 -10.466
  452   HH21  ARG  42          HH21      ARG  42   0.200   2.720  -9.683
  453   HH22  ARG  42          HH22      ARG  42  -0.659   3.547 -10.945
  454    HA   PRO  43           HA       PRO  43  -7.391   1.889  -8.076
  455    HB2  PRO  43           HB2      PRO  43  -6.162   3.534 -10.209
  456    HB3  PRO  43           HB1      PRO  43  -7.865   3.177  -9.906
  457    HG2  PRO  43           HG2      PRO  43  -6.895   5.583  -9.352
  458    HG3  PRO  43           HG1      PRO  43  -8.040   4.792  -8.250
  459    HD2  PRO  43           HD2      PRO  43  -5.059   5.035  -8.010
  460    HD3  PRO  43           HD1      PRO  43  -6.349   5.263  -6.766
  461    H    LEU  44           HN       LEU  44  -6.652  -0.036  -8.446
  462    HA   LEU  44           HA       LEU  44  -4.202  -0.386  -9.996
  463    HB2  LEU  44           HB2      LEU  44  -5.052  -1.845  -7.552
  464    HB3  LEU  44           HB1      LEU  44  -4.124  -2.690  -8.762
  465    HG   LEU  44           HG       LEU  44  -2.404  -2.052  -7.446
  466   HD11  LEU  44          HD11      LEU  44  -2.789   0.548  -8.902
  467   HD12  LEU  44          HD12      LEU  44  -2.029  -0.898  -9.561
  468   HD13  LEU  44          HD13      LEU  44  -1.288  -0.057  -8.202
  469   HD21  LEU  44          HD21      LEU  44  -3.685  -1.141  -5.666
  470   HD22  LEU  44          HD22      LEU  44  -4.026   0.324  -6.577
  471   HD23  LEU  44          HD23      LEU  44  -2.380  -0.013  -6.025
  472    H    THR  45           HN       THR  45  -6.060  -2.989  -8.788
  473    HA   THR  45           HA       THR  45  -7.291  -4.608  -9.731
  474    HB   THR  45           HB       THR  45  -7.913  -2.755 -12.010
  475    HG1  THR  45           HG1      THR  45  -8.571  -2.595  -9.347
  476   HG21  THR  45          HG21      THR  45  -9.975  -4.062 -12.096
  477   HG22  THR  45          HG22      THR  45  -9.419  -5.028 -10.729
  478   HG23  THR  45          HG23      THR  45  -8.562  -5.104 -12.266
  479    H    MET  46           HN       MET  46  -6.371  -3.194 -12.784
  480    HA   MET  46           HA       MET  46  -4.335  -5.204 -13.188
  481    HB2  MET  46           HB2      MET  46  -6.474  -6.308 -13.828
  482    HB3  MET  46           HB1      MET  46  -6.689  -5.067 -15.056
  483    HG2  MET  46           HG2      MET  46  -5.816  -7.091 -16.039
  484    HG3  MET  46           HG1      MET  46  -4.631  -5.791 -16.150
  485    HE1  MET  46           HE1      MET  46  -2.460  -9.056 -15.712
  486    HE2  MET  46           HE2      MET  46  -2.775  -7.654 -16.734
  487    HE3  MET  46           HE3      MET  46  -3.993  -8.917 -16.569
  488    H    LYS  47           HN       LYS  47  -6.293  -3.055 -15.163
  489    HA   LYS  47           HA       LYS  47  -3.953  -1.516 -15.923
  490    HB2  LYS  47           HB2      LYS  47  -3.968  -3.526 -17.414
  491    HB3  LYS  47           HB1      LYS  47  -5.541  -3.026 -18.011
  492    HG2  LYS  47           HG2      LYS  47  -4.573  -0.992 -18.918
  493    HG3  LYS  47           HG1      LYS  47  -2.993  -1.442 -18.271
  494    HD2  LYS  47           HD2      LYS  47  -2.942  -3.411 -19.689
  495    HD3  LYS  47           HD1      LYS  47  -4.563  -3.052 -20.284
  496    HE2  LYS  47           HE2      LYS  47  -2.160  -1.267 -20.638
  497    HE3  LYS  47           HE1      LYS  47  -2.773  -2.383 -21.856
  498    HZ1  LYS  47           HZ1      LYS  47  -4.279  -0.101 -20.701
  499    HZ2  LYS  47           HZ2      LYS  47  -4.851  -1.164 -21.885
  500    HZ3  LYS  47           HZ3      LYS  47  -3.556  -0.131 -22.229
  501    H    LYS  48           HN       LYS  48  -5.663  -0.294 -14.562
  502    HA   LYS  48           HA       LYS  48  -7.433   1.156 -14.343
  503    HB2  LYS  48           HB2      LYS  48  -6.233   2.008 -16.973
  504    HB3  LYS  48           HB1      LYS  48  -7.351   2.986 -16.032
  505    HG2  LYS  48           HG2      LYS  48  -5.785   3.123 -14.217
  506    HG3  LYS  48           HG1      LYS  48  -4.691   1.999 -15.027
  507    HD2  LYS  48           HD2      LYS  48  -4.349   3.597 -16.827
  508    HD3  LYS  48           HD1      LYS  48  -5.499   4.709 -16.083
  509    HE2  LYS  48           HE2      LYS  48  -3.171   5.338 -15.622
  510    HE3  LYS  48           HE1      LYS  48  -4.060   4.950 -14.152
  511    HZ1  LYS  48           HZ1      LYS  48  -1.878   3.968 -14.104
  512    HZ2  LYS  48           HZ2      LYS  48  -2.158   3.167 -15.565
  513    HZ3  LYS  48           HZ3      LYS  48  -3.043   2.745 -14.186
  514    H    GLU  49           HN       GLU  49  -8.651  -1.158 -15.163
  515    HA   GLU  49           HA       GLU  49 -10.708  -0.147 -17.002
  516    HB2  GLU  49           HB2      GLU  49  -9.799  -3.025 -16.781
  517    HB3  GLU  49           HB1      GLU  49 -11.028  -2.399 -17.868
  518    HG2  GLU  49           HG2      GLU  49  -9.380  -1.161 -19.098
  519    HG3  GLU  49           HG1      GLU  49  -8.126  -1.619 -17.947
  Start of MODEL    6
    1    H1   MET -18           HT1      MET -18  29.603  -5.640  -9.799
    2    H2   MET -18           HT2      MET -18  30.140  -6.611  -8.527
    3    H3   MET -18           HT3      MET -18  31.185  -5.485  -9.225
    4    HA   MET -18           HA       MET -18  29.865  -3.667  -8.427
    5    HB2  MET -18           HB2      MET -18  27.950  -4.022  -7.002
    6    HB3  MET -18           HB1      MET -18  27.696  -4.892  -8.506
    7    HG2  MET -18           HG2      MET -18  28.212  -6.979  -7.462
    8    HG3  MET -18           HG1      MET -18  28.699  -6.166  -5.975
    9    HE1  MET -18           HE1      MET -18  25.726  -7.096  -8.342
   10    HE2  MET -18           HE2      MET -18  25.605  -5.337  -8.284
   11    HE3  MET -18           HE3      MET -18  24.358  -6.331  -7.533
   12    H    ALA -17           HN       ALA -17  29.831  -3.010  -6.016
   13    HA   ALA -17           HA       ALA -17  31.739  -4.670  -4.503
   14    HB1  ALA -17           HB1      ALA -17  32.914  -2.667  -3.771
   15    HB2  ALA -17           HB2      ALA -17  31.843  -1.667  -4.754
   16    HB3  ALA -17           HB3      ALA -17  32.943  -2.807  -5.530
   17    H    HIS -16           HN       HIS -16  28.738  -4.084  -4.418
   18    HA   HIS -16           HA       HIS -16  28.422  -2.675  -1.921
   19    HB2  HIS -16           HB2      HIS -16  26.716  -2.478  -3.710
   20    HB3  HIS -16           HB1      HIS -16  26.352  -4.191  -3.526
   21    HD1  HIS -16           HD1      HIS -16  25.415  -0.910  -2.270
   22    HD2  HIS -16           HD2      HIS -16  25.249  -4.813  -0.869
   23    HE1  HIS -16           HE1      HIS -16  23.788  -0.870  -0.359
   24    HE2  HIS -16           HE2      HIS -16  23.915  -3.183   0.630
   25    H    HIS -15           HN       HIS -15  29.146  -3.699  -0.186
   26    HA   HIS -15           HA       HIS -15  27.723  -6.145   0.544
   27    HB2  HIS -15           HB2      HIS -15  30.701  -5.769   0.622
   28    HB3  HIS -15           HB1      HIS -15  29.914  -6.803   1.807
   29    HD1  HIS -15           HD1      HIS -15  28.619  -8.914   0.824
   30    HD2  HIS -15           HD2      HIS -15  31.108  -6.907  -1.837
   31    HE1  HIS -15           HE1      HIS -15  28.974 -10.498  -1.098
   32    HE2  HIS -15           HE2      HIS -15  30.565  -9.305  -2.644
   33    H    HIS -14           HN       HIS -14  27.391  -6.384   2.776
   34    HA   HIS -14           HA       HIS -14  26.916  -5.709   4.883
   35    HB2  HIS -14           HB2      HIS -14  28.983  -3.555   4.390
   36    HB3  HIS -14           HB1      HIS -14  28.207  -3.861   5.939
   37    HD1  HIS -14           HD1      HIS -14  31.263  -4.469   4.378
   38    HD2  HIS -14           HD2      HIS -14  28.660  -6.882   6.535
   39    HE1  HIS -14           HE1      HIS -14  32.650  -6.401   5.177
   40    HE2  HIS -14           HE2      HIS -14  31.009  -7.944   6.300
   41    H    HIS -13           HN       HIS -13  25.120  -4.772   5.496
   42    HA   HIS -13           HA       HIS -13  23.313  -3.417   5.608
   43    HB2  HIS -13           HB2      HIS -13  25.207  -1.461   4.333
   44    HB3  HIS -13           HB1      HIS -13  23.512  -1.060   4.581
   45    HD1  HIS -13           HD1      HIS -13  22.803  -0.385   6.896
   46    HD2  HIS -13           HD2      HIS -13  26.688  -1.846   6.762
   47    HE1  HIS -13           HE1      HIS -13  23.784   0.110   9.156
   48    HE2  HIS -13           HE2      HIS -13  26.188  -0.621   8.986
   49    H    HIS -12           HN       HIS -12  21.606  -3.998   4.517
   50    HA   HIS -12           HA       HIS -12  21.725  -4.082   1.588
   51    HB2  HIS -12           HB2      HIS -12  19.801  -5.321   3.563
   52    HB3  HIS -12           HB1      HIS -12  19.566  -5.372   1.821
   53    HD1  HIS -12           HD1      HIS -12  20.850  -7.365   4.452
   54    HD2  HIS -12           HD2      HIS -12  22.053  -6.584   0.552
   55    HE1  HIS -12           HE1      HIS -12  22.376  -9.259   3.825
   56    HE2  HIS -12           HE2      HIS -12  23.222  -8.673   1.527
   57    H    HIS -11           HN       HIS -11  19.946  -3.234   0.359
   58    HA   HIS -11           HA       HIS -11  19.144  -0.655   1.333
   59    HB2  HIS -11           HB2      HIS -11  19.815  -1.155  -1.051
   60    HB3  HIS -11           HB1      HIS -11  18.286  -2.008  -1.230
   61    HD1  HIS -11           HD1      HIS -11  16.178  -0.600  -1.551
   62    HD2  HIS -11           HD2      HIS -11  19.592   1.663  -0.839
   63    HE1  HIS -11           HE1      HIS -11  15.528   1.781  -2.030
   64    HE2  HIS -11           HE2      HIS -11  17.600   3.139  -1.561
   65    H    SER -10           HN       SER -10  17.938  -1.639   3.168
   66    HA   SER -10           HA       SER -10  15.394  -2.853   2.592
   67    HB2  SER -10           HB2      SER -10  15.091  -2.550   5.108
   68    HB3  SER -10           HB1      SER -10  16.446  -3.562   4.606
   69    HG   SER -10           HG       SER -10  16.498  -0.880   5.523
   70    H    SER  -9           HN       SER  -9  15.104  -0.843   1.120
   71    HA   SER  -9           HA       SER  -9  13.321   0.972   2.525
   72    HB2  SER  -9           HB2      SER  -9  15.568   1.966   0.757
   73    HB3  SER  -9           HB1      SER  -9  14.319   2.964   1.501
   74    HG   SER  -9           HG       SER  -9  15.298   1.661   3.490
   75    H    GLY  -8           HN       GLY  -8  11.565   1.425   1.384
   76    HA2  GLY  -8           HA2      GLY  -8  11.274   1.725  -1.350
   77    HA3  GLY  -8           HA1      GLY  -8  11.053   0.006  -1.035
   78    H    LEU  -7           HN       LEU  -7   9.671  -0.268   1.113
   79    HA   LEU  -7           HA       LEU  -7   7.195   1.213   0.680
   80    HB2  LEU  -7           HB2      LEU  -7   7.578  -1.003   2.696
   81    HB3  LEU  -7           HB1      LEU  -7   6.079  -0.449   1.968
   82    HG   LEU  -7           HG       LEU  -7   7.110  -1.347  -0.248
   83   HD11  LEU  -7          HD11      LEU  -7   8.537  -3.323   0.106
   84   HD12  LEU  -7          HD12      LEU  -7   8.703  -2.875   1.802
   85   HD13  LEU  -7          HD13      LEU  -7   9.336  -1.816   0.545
   86   HD21  LEU  -7          HD21      LEU  -7   6.152  -3.558   0.220
   87   HD22  LEU  -7          HD22      LEU  -7   5.124  -2.247   0.796
   88   HD23  LEU  -7          HD23      LEU  -7   6.108  -3.162   1.938
   89    H    GLU  -6           HN       GLU  -6   8.022   3.211   1.484
   90    HA   GLU  -6           HA       GLU  -6   8.937   3.224   4.260
   91    HB2  GLU  -6           HB2      GLU  -6   9.059   5.427   2.198
   92    HB3  GLU  -6           HB1      GLU  -6   9.766   5.483   3.807
   93    HG2  GLU  -6           HG2      GLU  -6  10.571   3.742   1.496
   94    HG3  GLU  -6           HG1      GLU  -6  11.515   5.001   2.291
   95    H    VAL  -5           HN       VAL  -5   7.306   5.862   2.543
   96    HA   VAL  -5           HA       VAL  -5   5.789   7.371   3.358
   97    HB   VAL  -5           HB       VAL  -5   4.399   5.920   2.060
   98   HG11  VAL  -5          HG11      VAL  -5   4.066   4.170   4.474
   99   HG12  VAL  -5          HG12      VAL  -5   5.016   3.791   3.038
  100   HG13  VAL  -5          HG13      VAL  -5   3.267   3.968   2.916
  101   HG21  VAL  -5          HG21      VAL  -5   3.106   7.567   3.151
  102   HG22  VAL  -5          HG22      VAL  -5   3.065   6.634   4.648
  103   HG23  VAL  -5          HG23      VAL  -5   2.206   6.047   3.220
  104    H    LEU  -4           HN       LEU  -4   7.281   7.548   5.276
  105    HA   LEU  -4           HA       LEU  -4   6.491   6.148   7.676
  106    HB2  LEU  -4           HB2      LEU  -4   8.449   7.573   8.628
  107    HB3  LEU  -4           HB1      LEU  -4   8.766   6.211   7.577
  108    HG   LEU  -4           HG       LEU  -4   9.001   7.818   5.669
  109   HD11  LEU  -4          HD11      LEU  -4   7.733   9.691   6.574
  110   HD12  LEU  -4          HD12      LEU  -4   9.379  10.176   6.167
  111   HD13  LEU  -4          HD13      LEU  -4   8.932   9.895   7.851
  112   HD21  LEU  -4          HD21      LEU  -4  11.223   8.598   6.341
  113   HD22  LEU  -4          HD22      LEU  -4  10.943   6.917   6.793
  114   HD23  LEU  -4          HD23      LEU  -4  10.851   8.186   8.014
  115    H    PHE  -3           HN       PHE  -3   4.452   7.837   6.903
  116    HA   PHE  -3           HA       PHE  -3   4.319   9.500   9.290
  117    HB2  PHE  -3           HB2      PHE  -3   3.291  11.383   7.997
  118    HB3  PHE  -3           HB1      PHE  -3   4.997  11.129   7.672
  119    HD1  PHE  -3           HD1      PHE  -3   5.572   9.740   5.570
  120    HD2  PHE  -3           HD2      PHE  -3   1.781  11.550   6.244
  121    HE1  PHE  -3           HE1      PHE  -3   5.088   9.611   3.165
  122    HE2  PHE  -3           HE2      PHE  -3   1.292  11.431   3.836
  123    HZ   PHE  -3           HZ       PHE  -3   2.961  10.550   2.286
  124    H    GLN  -2           HN       GLN  -2   3.231   7.054   8.926
  125    HA   GLN  -2           HA       GLN  -2   0.504   7.436   9.508
  126    HB2  GLN  -2           HB2      GLN  -2   0.240   7.776   7.102
  127    HB3  GLN  -2           HB1      GLN  -2   1.138   6.305   6.767
  128    HG2  GLN  -2           HG2      GLN  -2  -1.227   5.965   6.427
  129    HG3  GLN  -2           HG1      GLN  -2  -0.644   4.975   7.761
  130   HE21  GLN  -2          HE21      GLN  -2  -1.250   8.413   8.026
  131   HE22  GLN  -2          HE22      GLN  -2  -2.618   8.278   9.074
  132    H    GLY  -1           HN       GLY  -1  -0.556   5.332   9.986
  133    HA2  GLY  -1           HA2      GLY  -1   0.805   3.657  11.599
  134    HA3  GLY  -1           HA1      GLY  -1  -0.600   3.137  10.693
  135    HA   PRO   0           HA       PRO   0   3.781   1.612   9.077
  136    HB2  PRO   0           HB2      PRO   0   3.979  -0.348  11.269
  137    HB3  PRO   0           HB1      PRO   0   5.213   0.718  10.593
  138    HG2  PRO   0           HG2      PRO   0   4.148   1.182  13.000
  139    HG3  PRO   0           HG1      PRO   0   4.580   2.510  11.906
  140    HD2  PRO   0           HD2      PRO   0   1.887   1.330  12.486
  141    HD3  PRO   0           HD1      PRO   0   2.359   3.031  12.293
  142    H    ARG   1           HN       ARG   1   2.279  -1.053  10.952
  143    HA   ARG   1           HA       ARG   1   1.327  -2.244   8.499
  144    HB2  ARG   1           HB2      ARG   1   2.680  -4.347   8.943
  145    HB3  ARG   1           HB1      ARG   1   3.533  -2.981   8.256
  146    HG2  ARG   1           HG2      ARG   1   4.962  -3.908   9.880
  147    HG3  ARG   1           HG1      ARG   1   4.302  -2.440  10.598
  148    HD2  ARG   1           HD2      ARG   1   2.750  -3.710  11.911
  149    HD3  ARG   1           HD1      ARG   1   3.195  -5.199  11.082
  150    HE   ARG   1           HE       ARG   1   5.516  -4.192  12.219
  151   HH11  ARG   1          HH11      ARG   1   2.394  -5.324  13.296
  152   HH12  ARG   1          HH12      ARG   1   2.988  -5.957  14.795
  153   HH21  ARG   1          HH21      ARG   1   6.313  -5.012  14.209
  154   HH22  ARG   1          HH22      ARG   1   5.218  -5.762  15.323
  155    H    ARG   2           HN       ARG   2   0.882  -4.812   9.195
  156    HA   ARG   2           HA       ARG   2  -0.434  -4.958  11.753
  157    HB2  ARG   2           HB2      ARG   2  -1.985  -3.575  10.263
  158    HB3  ARG   2           HB1      ARG   2  -2.196  -5.028   9.310
  159    HG2  ARG   2           HG2      ARG   2  -3.148  -6.186  11.172
  160    HG3  ARG   2           HG1      ARG   2  -2.833  -4.796  12.199
  161    HD2  ARG   2           HD2      ARG   2  -4.390  -3.446  10.978
  162    HD3  ARG   2           HD1      ARG   2  -4.593  -4.709   9.766
  163    HE   ARG   2           HE       ARG   2  -5.338  -5.915  12.084
  164   HH11  ARG   2          HH11      ARG   2  -6.336  -2.976  10.462
  165   HH12  ARG   2          HH12      ARG   2  -7.956  -3.030  11.074
  166   HH21  ARG   2          HH21      ARG   2  -7.472  -5.992  12.891
  167   HH22  ARG   2          HH22      ARG   2  -8.596  -4.744  12.465
  168    H    ALA   3           HN       ALA   3   1.401  -6.383   9.700
  169    HA   ALA   3           HA       ALA   3   2.122  -8.530   9.483
  170    HB1  ALA   3           HB1      ALA   3  -0.171  -9.357  11.234
  171    HB2  ALA   3           HB2      ALA   3   1.407  -8.831  11.816
  172    HB3  ALA   3           HB3      ALA   3   1.271 -10.298  10.848
  173    H    GLY   4           HN       GLY   4  -0.935 -10.062   9.755
  174    HA2  GLY   4           HA2      GLY   4  -0.818 -10.433   6.831
  175    HA3  GLY   4           HA1      GLY   4  -1.267 -11.688   7.954
  176    H    THR   5           HN       THR   5  -2.177  -8.558   6.795
  177    HA   THR   5           HA       THR   5  -4.990  -9.124   7.446
  178    HB   THR   5           HB       THR   5  -3.999  -6.372   6.761
  179    HG1  THR   5           HG1      THR   5  -3.193  -7.926   8.901
  180   HG21  THR   5          HG21      THR   5  -6.060  -7.477   8.707
  181   HG22  THR   5          HG22      THR   5  -6.396  -6.658   7.181
  182   HG23  THR   5          HG23      THR   5  -5.674  -5.777   8.524
  183    H    CYS   6           HN       CYS   6  -6.371  -7.526   5.804
  184    HA   CYS   6           HA       CYS   6  -5.380  -8.051   3.078
  185    HB2  CYS   6           HB2      CYS   6  -7.965  -8.013   2.586
  186    HB3  CYS   6           HB1      CYS   6  -7.200  -9.456   3.217
  187    HG   CYS   6           HG       CYS   6  -8.174  -9.326   5.715
  188    H    CYS   7           HN       CYS   7  -5.885  -6.489   1.443
  189    HA   CYS   7           HA       CYS   7  -5.727  -3.849   2.609
  190    HB2  CYS   7           HB2      CYS   7  -4.261  -4.381   0.690
  191    HB3  CYS   7           HB1      CYS   7  -5.649  -4.597  -0.327
  192    H    ALA   8           HN       ALA   8  -7.353  -2.462   2.914
  193    HA   ALA   8           HA       ALA   8 -10.032  -2.849   2.216
  194    HB1  ALA   8           HB1      ALA   8  -8.719  -0.228   2.863
  195    HB2  ALA   8           HB2      ALA   8  -9.235  -1.408   4.072
  196    HB3  ALA   8           HB3      ALA   8 -10.425  -0.630   3.025
  197    H    ASN   9           HN       ASN   9  -8.154  -2.872  -0.049
  198    HA   ASN   9           HA       ASN   9  -9.688  -1.308  -1.909
  199    HB2  ASN   9           HB2      ASN   9  -8.088   0.369  -1.217
  200    HB3  ASN   9           HB1      ASN   9  -6.727  -0.771  -1.495
  201   HD21  ASN   9          HD21      ASN   9  -6.028  -1.140  -3.577
  202   HD22  ASN   9          HD22      ASN   9  -6.534  -0.227  -4.932
  203    H    CYS  10           HN       CYS  10  -6.879  -3.474  -1.410
  204    HA   CYS  10           HA       CYS  10  -7.352  -4.478  -4.134
  205    HB2  CYS  10           HB2      CYS  10  -4.745  -4.853  -2.635
  206    HB3  CYS  10           HB1      CYS  10  -5.085  -4.953  -4.383
  207    H    GLN  11           HN       GLN  11  -7.954  -5.301  -1.027
  208    HA   GLN  11           HA       GLN  11  -8.015  -7.130   0.306
  209    HB2  GLN  11           HB2      GLN  11  -9.783  -7.509  -1.656
  210    HB3  GLN  11           HB1      GLN  11  -8.710  -8.843  -2.043
  211    HG2  GLN  11           HG2      GLN  11  -8.971  -9.701   0.236
  212    HG3  GLN  11           HG1      GLN  11 -10.080  -8.376   0.588
  213   HE21  GLN  11          HE21      GLN  11 -10.541 -11.247   0.667
  214   HE22  GLN  11          HE22      GLN  11 -11.855 -11.558  -0.417
  215    H    THR  12           HN       THR  12  -5.454  -6.938  -1.619
  216    HA   THR  12           HA       THR  12  -4.394  -9.523  -1.588
  217    HB   THR  12           HB       THR  12  -3.420  -7.527  -2.863
  218    HG1  THR  12           HG1      THR  12  -2.098  -9.212  -2.982
  219   HG21  THR  12          HG21      THR  12  -2.011  -7.011  -0.229
  220   HG22  THR  12          HG22      THR  12  -3.317  -6.002  -0.856
  221   HG23  THR  12          HG23      THR  12  -1.796  -6.127  -1.741
  222    H    THR  13           HN       THR  13  -2.927 -10.435  -0.165
  223    HA   THR  13           HA       THR  13  -2.908  -9.264   2.526
  224    HB   THR  13           HB       THR  13  -2.782 -11.646   3.389
  225    HG1  THR  13           HG1      THR  13  -3.665 -12.179   0.721
  226   HG21  THR  13          HG21      THR  13  -5.154 -11.896   3.433
  227   HG22  THR  13          HG22      THR  13  -5.336 -10.963   1.945
  228   HG23  THR  13          HG23      THR  13  -4.804 -10.159   3.430
  229    H    THR  14           HN       THR  14  -1.184  -9.870  -0.078
  230    HA   THR  14           HA       THR  14   1.269 -10.616   1.273
  231    HB   THR  14           HB       THR  14   1.515  -9.851  -1.523
  232    HG1  THR  14           HG1      THR  14   0.205 -11.827  -2.137
  233   HG21  THR  14          HG21      THR  14   1.825 -12.496  -0.116
  234   HG22  THR  14          HG22      THR  14   3.084 -11.267  -0.280
  235   HG23  THR  14          HG23      THR  14   2.452 -12.083  -1.711
  236    H    THR  15           HN       THR  15   1.234  -8.620   2.560
  237    HA   THR  15           HA       THR  15   2.632  -6.525   1.145
  238    HB   THR  15           HB       THR  15   0.070  -5.745   2.590
  239    HG1  THR  15           HG1      THR  15   0.587  -6.507   0.016
  240   HG21  THR  15          HG21      THR  15   1.713  -4.043   2.831
  241   HG22  THR  15          HG22      THR  15   0.631  -3.540   1.535
  242   HG23  THR  15          HG23      THR  15   2.216  -4.202   1.150
  243    H    THR  16           HN       THR  16   4.101  -5.507   2.422
  244    HA   THR  16           HA       THR  16   4.397  -6.560   5.117
  245    HB   THR  16           HB       THR  16   6.359  -4.706   3.789
  246    HG1  THR  16           HG1      THR  16   5.780  -7.420   3.173
  247   HG21  THR  16          HG21      THR  16   7.982  -6.030   5.027
  248   HG22  THR  16          HG22      THR  16   6.713  -7.126   5.574
  249   HG23  THR  16          HG23      THR  16   6.730  -5.452   6.125
  250    H    LEU  17           HN       LEU  17   3.072  -3.768   3.740
  251    HA   LEU  17           HA       LEU  17   3.534  -2.266   6.281
  252    HB2  LEU  17           HB2      LEU  17   4.865  -1.556   4.083
  253    HB3  LEU  17           HB1      LEU  17   3.354  -0.751   3.726
  254    HG   LEU  17           HG       LEU  17   3.503   0.484   5.844
  255   HD11  LEU  17          HD11      LEU  17   4.820  -1.075   7.141
  256   HD12  LEU  17          HD12      LEU  17   5.664   0.472   7.048
  257   HD13  LEU  17          HD13      LEU  17   6.184  -0.881   6.043
  258   HD21  LEU  17          HD21      LEU  17   4.334   1.516   3.819
  259   HD22  LEU  17          HD22      LEU  17   5.897   0.727   4.028
  260   HD23  LEU  17          HD23      LEU  17   5.365   1.950   5.180
  261    H    TRP  18           HN       TRP  18   1.457  -2.840   6.954
  262    HA   TRP  18           HA       TRP  18  -0.812  -2.071   5.405
  263    HB2  TRP  18           HB2      TRP  18  -0.678  -3.205   8.192
  264    HB3  TRP  18           HB1      TRP  18  -2.129  -2.962   7.286
  265    HD1  TRP  18           HD1      TRP  18   0.681  -5.395   7.687
  266    HE1  TRP  18           HE1      TRP  18   0.279  -7.393   6.193
  267    HE3  TRP  18           HE3      TRP  18  -3.196  -3.602   4.874
  268    HZ2  TRP  18           HZ2      TRP  18  -1.411  -8.175   4.140
  269    HZ3  TRP  18           HZ3      TRP  18  -4.207  -5.079   3.183
  270    HH2  TRP  18           HH2      TRP  18  -3.330  -7.281   2.781
  271    H    ARG  19           HN       ARG  19  -0.871   0.092   5.240
  272    HA   ARG  19           HA       ARG  19  -0.855   1.822   7.630
  273    HB2  ARG  19           HB2      ARG  19  -1.663   3.208   5.234
  274    HB3  ARG  19           HB1      ARG  19  -0.175   3.374   6.160
  275    HG2  ARG  19           HG2      ARG  19   0.185   1.041   4.702
  276    HG3  ARG  19           HG1      ARG  19  -0.610   2.132   3.574
  277    HD2  ARG  19           HD2      ARG  19   1.747   2.414   3.379
  278    HD3  ARG  19           HD1      ARG  19   1.117   3.863   4.184
  279    HE   ARG  19           HE       ARG  19   2.416   1.601   5.580
  280   HH11  ARG  19          HH11      ARG  19   1.673   4.998   5.356
  281   HH12  ARG  19          HH12      ARG  19   2.718   5.435   6.664
  282   HH21  ARG  19          HH21      ARG  19   3.748   2.166   7.321
  283   HH22  ARG  19          HH22      ARG  19   3.882   3.824   7.799
  284    H    ARG  20           HN       ARG  20  -2.728   3.521   7.701
  285    HA   ARG  20           HA       ARG  20  -5.261   2.105   7.322
  286    HB2  ARG  20           HB2      ARG  20  -4.528   4.448   9.069
  287    HB3  ARG  20           HB1      ARG  20  -6.166   3.879   8.862
  288    HG2  ARG  20           HG2      ARG  20  -3.965   2.765  10.437
  289    HG3  ARG  20           HG1      ARG  20  -5.704   2.790  10.715
  290    HD2  ARG  20           HD2      ARG  20  -6.075   0.887   9.427
  291    HD3  ARG  20           HD1      ARG  20  -4.521   1.033   8.605
  292    HE   ARG  20           HE       ARG  20  -3.445   0.142  10.481
  293   HH11  ARG  20          HH11      ARG  20  -6.917   0.310  10.948
  294   HH12  ARG  20          HH12      ARG  20  -6.913  -0.830  12.257
  295   HH21  ARG  20          HH21      ARG  20  -3.435  -1.337  12.180
  296   HH22  ARG  20          HH22      ARG  20  -4.924  -1.766  12.968
  297    H    ASN  21           HN       ASN  21  -6.971   3.014   6.290
  298    HA   ASN  21           HA       ASN  21  -6.408   5.370   4.654
  299    HB2  ASN  21           HB2      ASN  21  -8.360   4.851   3.335
  300    HB3  ASN  21           HB1      ASN  21  -7.471   3.324   3.588
  301   HD21  ASN  21          HD21      ASN  21  -9.710   2.615   2.865
  302   HD22  ASN  21          HD22      ASN  21 -10.894   2.362   4.067
  303    H    ALA  22           HN       ALA  22  -9.075   6.489   4.429
  304    HA   ALA  22           HA       ALA  22  -9.013   8.231   6.639
  305    HB1  ALA  22           HB1      ALA  22  -9.907   8.825   4.447
  306    HB2  ALA  22           HB2      ALA  22 -11.061   9.156   5.736
  307    HB3  ALA  22           HB3      ALA  22 -11.264   7.734   4.711
  308    H    ASN  23           HN       ASN  23 -10.184   5.104   6.618
  309    HA   ASN  23           HA       ASN  23 -12.278   5.677   8.597
  310    HB2  ASN  23           HB2      ASN  23 -12.979   4.538   6.471
  311    HB3  ASN  23           HB1      ASN  23 -11.917   3.216   6.896
  312   HD21  ASN  23          HD21      ASN  23 -13.484   1.650   7.097
  313   HD22  ASN  23          HD22      ASN  23 -14.705   1.705   8.313
  314    H    GLY  24           HN       GLY  24  -9.184   5.102   8.487
  315    HA2  GLY  24           HA2      GLY  24  -7.656   4.063   9.867
  316    HA3  GLY  24           HA1      GLY  24  -9.003   3.604  10.896
  317    H    ASP  25           HN       ASP  25  -9.023   2.852   7.520
  318    HA   ASP  25           HA       ASP  25  -9.205   0.050   8.309
  319    HB2  ASP  25           HB2      ASP  25 -10.728   1.462   6.502
  320    HB3  ASP  25           HB1      ASP  25  -9.592   0.582   5.460
  321    HA   PRO  26           HA       PRO  26  -5.178  -0.928   7.126
  322    HB2  PRO  26           HB2      PRO  26  -5.608  -3.580   6.420
  323    HB3  PRO  26           HB1      PRO  26  -5.476  -2.974   8.102
  324    HG2  PRO  26           HG2      PRO  26  -7.903  -3.620   6.471
  325    HG3  PRO  26           HG1      PRO  26  -7.598  -3.909   8.205
  326    HD2  PRO  26           HD2      PRO  26  -9.146  -1.834   7.328
  327    HD3  PRO  26           HD1      PRO  26  -8.149  -1.736   8.787
  328    H    VAL  27           HN       VAL  27  -3.954  -0.681   5.363
  329    HA   VAL  27           HA       VAL  27  -5.017  -1.523   2.750
  330    HB   VAL  27           HB       VAL  27  -3.990   0.703   1.790
  331   HG11  VAL  27          HG11      VAL  27  -6.211   1.729   1.746
  332   HG12  VAL  27          HG12      VAL  27  -6.743   0.595   2.982
  333   HG13  VAL  27          HG13      VAL  27  -6.272  -0.000   1.386
  334   HG21  VAL  27          HG21      VAL  27  -3.318   1.758   3.856
  335   HG22  VAL  27          HG22      VAL  27  -4.952   1.636   4.482
  336   HG23  VAL  27          HG23      VAL  27  -4.608   2.680   3.108
  337    H    CYS  28           HN       CYS  28  -3.462  -1.918   1.198
  338    HA   CYS  28           HA       CYS  28  -0.960  -2.785   2.206
  339    HB2  CYS  28           HB2      CYS  28  -0.763  -3.773   0.024
  340    HB3  CYS  28           HB1      CYS  28  -2.483  -3.693   0.301
  341    H    ASN  29           HN       ASN  29   1.213  -1.992   1.014
  342    HA   ASN  29           HA       ASN  29   1.722   0.514   1.929
  343    HB2  ASN  29           HB2      ASN  29   3.559  -0.991   1.338
  344    HB3  ASN  29           HB1      ASN  29   3.193  -0.811  -0.382
  345   HD21  ASN  29          HD21      ASN  29   2.766   2.096   1.355
  346   HD22  ASN  29          HD22      ASN  29   4.214   2.801   0.818
  347    H    ALA  30           HN       ALA  30   1.117  -0.177  -1.529
  348    HA   ALA  30           HA       ALA  30   1.445   2.389  -2.448
  349    HB1  ALA  30           HB1      ALA  30   1.236   0.485  -3.932
  350    HB2  ALA  30           HB2      ALA  30   0.127   1.789  -4.365
  351    HB3  ALA  30           HB3      ALA  30  -0.477   0.361  -3.526
  352    H    CYS  31           HN       CYS  31  -1.422   0.940  -1.017
  353    HA   CYS  31           HA       CYS  31  -3.134   3.074  -1.820
  354    HB2  CYS  31           HB2      CYS  31  -3.562   0.824   0.069
  355    HB3  CYS  31           HB1      CYS  31  -4.797   1.967  -0.390
  356    H    GLY  32           HN       GLY  32  -1.650   2.218   1.288
  357    HA2  GLY  32           HA2      GLY  32  -2.742   4.630   2.483
  358    HA3  GLY  32           HA1      GLY  32  -1.541   3.554   3.224
  359    H    LEU  33           HN       LEU  33   0.137   3.776   0.733
  360    HA   LEU  33           HA       LEU  33   1.576   6.155   1.449
  361    HB2  LEU  33           HB2      LEU  33   2.600   4.065   0.436
  362    HB3  LEU  33           HB1      LEU  33   1.911   4.561  -1.086
  363    HG   LEU  33           HG       LEU  33   3.502   6.660   0.066
  364   HD11  LEU  33          HD11      LEU  33   4.983   4.176  -0.761
  365   HD12  LEU  33          HD12      LEU  33   4.657   4.537   0.929
  366   HD13  LEU  33          HD13      LEU  33   5.636   5.644  -0.035
  367   HD21  LEU  33          HD21      LEU  33   4.441   6.621  -2.165
  368   HD22  LEU  33          HD22      LEU  33   2.684   6.484  -2.251
  369   HD23  LEU  33          HD23      LEU  33   3.692   5.052  -2.462
  370    H    TYR  34           HN       TYR  34  -0.572   5.134  -1.190
  371    HA   TYR  34           HA       TYR  34  -0.175   7.457  -2.671
  372    HB2  TYR  34           HB2      TYR  34  -0.975   5.304  -3.631
  373    HB3  TYR  34           HB1      TYR  34  -2.490   5.532  -2.777
  374    HD1  TYR  34           HD1      TYR  34  -4.111   7.071  -3.544
  375    HD2  TYR  34           HD2      TYR  34  -0.417   6.626  -5.574
  376    HE1  TYR  34           HE1      TYR  34  -5.019   8.339  -5.435
  377    HE2  TYR  34           HE2      TYR  34  -1.305   7.906  -7.486
  378    HH   TYR  34           HH       TYR  34  -4.183   9.691  -7.332
  379    H    TYR  35           HN       TYR  35  -2.943   6.357  -0.740
  380    HA   TYR  35           HA       TYR  35  -4.465   8.679  -0.972
  381    HB2  TYR  35           HB2      TYR  35  -5.234   6.537   0.084
  382    HB3  TYR  35           HB1      TYR  35  -4.297   6.968   1.502
  383    HD1  TYR  35           HD1      TYR  35  -7.377   7.449  -0.244
  384    HD2  TYR  35           HD2      TYR  35  -4.896   9.009   2.807
  385    HE1  TYR  35           HE1      TYR  35  -9.272   8.702   0.616
  386    HE2  TYR  35           HE2      TYR  35  -6.769  10.278   3.689
  387    HH   TYR  35           HH       TYR  35  -8.917  11.160   2.993
  388    H    LYS  36           HN       LYS  36  -1.569   8.160   0.864
  389    HA   LYS  36           HA       LYS  36  -2.090  10.369   2.631
  390    HB2  LYS  36           HB2      LYS  36   0.125   8.441   2.207
  391    HB3  LYS  36           HB1      LYS  36   0.484   9.961   3.021
  392    HG2  LYS  36           HG2      LYS  36  -0.183   7.976   4.460
  393    HG3  LYS  36           HG1      LYS  36  -0.925   9.524   4.795
  394    HD2  LYS  36           HD2      LYS  36  -2.806   8.661   3.218
  395    HD3  LYS  36           HD1      LYS  36  -2.117   7.077   3.562
  396    HE2  LYS  36           HE2      LYS  36  -3.903   7.442   5.097
  397    HE3  LYS  36           HE1      LYS  36  -2.392   7.574   5.993
  398    HZ1  LYS  36           HZ1      LYS  36  -3.915   9.900   4.953
  399    HZ2  LYS  36           HZ2      LYS  36  -2.574   9.942   5.981
  400    HZ3  LYS  36           HZ3      LYS  36  -4.042   9.317   6.534
  401    H    LEU  37           HN       LEU  37  -0.580   9.786  -0.357
  402    HA   LEU  37           HA       LEU  37   0.661  12.366  -0.472
  403    HB2  LEU  37           HB2      LEU  37   0.180  10.544  -2.817
  404    HB3  LEU  37           HB1      LEU  37   1.453  11.745  -2.606
  405    HG   LEU  37           HG       LEU  37   1.252   9.239  -0.944
  406   HD11  LEU  37          HD11      LEU  37   1.530   8.499  -3.185
  407   HD12  LEU  37          HD12      LEU  37   3.098   8.408  -2.389
  408   HD13  LEU  37          HD13      LEU  37   2.753   9.729  -3.503
  409   HD21  LEU  37          HD21      LEU  37   2.578  11.033   0.026
  410   HD22  LEU  37          HD22      LEU  37   3.519  11.147  -1.462
  411   HD23  LEU  37          HD23      LEU  37   3.592   9.681  -0.479
  412    H    HIS  38           HN       HIS  38  -2.297  10.826  -1.639
  413    HA   HIS  38           HA       HIS  38  -2.947  13.283  -3.129
  414    HB2  HIS  38           HB2      HIS  38  -3.358  10.409  -3.920
  415    HB3  HIS  38           HB1      HIS  38  -4.084  11.757  -4.777
  416    HD1  HIS  38           HD1      HIS  38  -1.829  13.709  -5.072
  417    HD2  HIS  38           HD2      HIS  38  -1.273   9.603  -5.434
  418    HE1  HIS  38           HE1      HIS  38   0.358  13.419  -6.286
  419    HE2  HIS  38           HE2      HIS  38   0.708  10.930  -6.431
  420    H    ASN  39           HN       ASN  39  -3.967  11.521  -0.556
  421    HA   ASN  39           HA       ASN  39  -5.916  11.249   0.611
  422    HB2  ASN  39           HB2      ASN  39  -5.990  13.832  -0.611
  423    HB3  ASN  39           HB1      ASN  39  -7.602  13.240  -0.234
  424   HD21  ASN  39          HD21      ASN  39  -6.834  15.446   1.248
  425   HD22  ASN  39          HD22      ASN  39  -6.357  14.961   2.830
  426    H    VAL  40           HN       VAL  40  -5.783   9.755  -1.790
  427    HA   VAL  40           HA       VAL  40  -8.573   9.065  -1.945
  428    HB   VAL  40           HB       VAL  40  -8.262   8.726  -4.539
  429   HG11  VAL  40          HG11      VAL  40  -9.012  11.347  -3.279
  430   HG12  VAL  40          HG12      VAL  40 -10.072   9.969  -3.571
  431   HG13  VAL  40          HG13      VAL  40  -9.399  10.869  -4.929
  432   HG21  VAL  40          HG21      VAL  40  -6.714  11.276  -4.160
  433   HG22  VAL  40          HG22      VAL  40  -7.052  10.409  -5.668
  434   HG23  VAL  40          HG23      VAL  40  -5.954   9.719  -4.483
  435    H    ASN  41           HN       ASN  41  -8.856   6.971  -3.119
  436    HA   ASN  41           HA       ASN  41  -6.965   5.126  -2.106
  437    HB2  ASN  41           HB2      ASN  41  -9.469   4.895  -3.714
  438    HB3  ASN  41           HB1      ASN  41  -8.356   3.544  -3.716
  439   HD21  ASN  41          HD21      ASN  41 -10.454   5.505  -1.790
  440   HD22  ASN  41          HD22      ASN  41 -10.541   4.441  -0.433
  441    H    ARG  42           HN       ARG  42  -5.934   3.423  -3.499
  442    HA   ARG  42           HA       ARG  42  -4.434   4.863  -5.547
  443    HB2  ARG  42           HB2      ARG  42  -3.498   3.491  -3.508
  444    HB3  ARG  42           HB1      ARG  42  -3.689   2.143  -4.569
  445    HG2  ARG  42           HG2      ARG  42  -2.061   4.584  -5.179
  446    HG3  ARG  42           HG1      ARG  42  -1.421   3.054  -4.596
  447    HD2  ARG  42           HD2      ARG  42  -2.202   1.952  -6.622
  448    HD3  ARG  42           HD1      ARG  42  -2.885   3.472  -7.199
  449    HE   ARG  42           HE       ARG  42  -0.095   3.678  -6.581
  450   HH11  ARG  42          HH11      ARG  42  -2.351   2.639  -9.058
  451   HH12  ARG  42          HH12      ARG  42  -1.229   2.905 -10.354
  452   HH21  ARG  42          HH21      ARG  42   1.367   4.035  -8.283
  453   HH22  ARG  42          HH22      ARG  42   0.883   3.702  -9.916
  454    HA   PRO  43           HA       PRO  43  -7.098   2.565  -8.464
  455    HB2  PRO  43           HB2      PRO  43  -5.192   4.000 -10.267
  456    HB3  PRO  43           HB1      PRO  43  -6.948   3.823 -10.402
  457    HG2  PRO  43           HG2      PRO  43  -5.952   6.122  -9.579
  458    HG3  PRO  43           HG1      PRO  43  -7.361   5.426  -8.752
  459    HD2  PRO  43           HD2      PRO  43  -4.484   5.443  -7.902
  460    HD3  PRO  43           HD1      PRO  43  -5.980   5.729  -6.930
  461    H    LEU  44           HN       LEU  44  -6.613   0.518  -8.807
  462    HA   LEU  44           HA       LEU  44  -3.944  -0.321  -9.474
  463    HB2  LEU  44           HB2      LEU  44  -4.343   0.180  -6.885
  464    HB3  LEU  44           HB1      LEU  44  -4.977  -1.449  -6.931
  465    HG   LEU  44           HG       LEU  44  -2.856  -2.345  -7.574
  466   HD11  LEU  44          HD11      LEU  44  -0.882  -0.823  -7.831
  467   HD12  LEU  44          HD12      LEU  44  -2.011   0.531  -7.887
  468   HD13  LEU  44          HD13      LEU  44  -2.065  -0.718  -9.130
  469   HD21  LEU  44          HD21      LEU  44  -2.607  -0.269  -5.390
  470   HD22  LEU  44          HD22      LEU  44  -1.446  -1.573  -5.672
  471   HD23  LEU  44          HD23      LEU  44  -3.105  -1.960  -5.209
  472    H    THR  45           HN       THR  45  -6.598  -1.849  -7.732
  473    HA   THR  45           HA       THR  45  -7.139  -3.525 -10.071
  474    HB   THR  45           HB       THR  45  -7.527  -5.468  -8.451
  475    HG1  THR  45           HG1      THR  45  -5.567  -4.599  -6.766
  476   HG21  THR  45          HG21      THR  45  -5.173  -6.147  -8.515
  477   HG22  THR  45          HG22      THR  45  -4.705  -4.497  -8.921
  478   HG23  THR  45          HG23      THR  45  -5.682  -5.438 -10.047
  479    H    MET  46           HN       MET  46  -8.584  -4.476  -7.192
  480    HA   MET  46           HA       MET  46 -10.711  -2.603  -7.041
  481    HB2  MET  46           HB2      MET  46 -11.391  -3.845  -9.102
  482    HB3  MET  46           HB1      MET  46 -11.410  -5.330  -8.165
  483    HG2  MET  46           HG2      MET  46 -13.647  -4.365  -8.519
  484    HG3  MET  46           HG1      MET  46 -13.221  -4.535  -6.818
  485    HE1  MET  46           HE1      MET  46 -11.887  -1.764  -9.286
  486    HE2  MET  46           HE2      MET  46 -13.111  -0.513  -9.083
  487    HE3  MET  46           HE3      MET  46 -13.537  -2.049  -9.836
  488    H    LYS  47           HN       LYS  47 -12.237  -3.229  -5.309
  489    HA   LYS  47           HA       LYS  47 -10.985  -4.075  -3.026
  490    HB2  LYS  47           HB2      LYS  47 -13.179  -2.913  -3.129
  491    HB3  LYS  47           HB1      LYS  47 -13.924  -4.422  -3.629
  492    HG2  LYS  47           HG2      LYS  47 -13.190  -5.443  -1.497
  493    HG3  LYS  47           HG1      LYS  47 -12.580  -3.863  -0.997
  494    HD2  LYS  47           HD2      LYS  47 -14.762  -4.180  -0.042
  495    HD3  LYS  47           HD1      LYS  47 -14.872  -2.947  -1.297
  496    HE2  LYS  47           HE2      LYS  47 -16.753  -4.471  -1.444
  497    HE3  LYS  47           HE1      LYS  47 -15.723  -4.634  -2.864
  498    HZ1  LYS  47           HZ1      LYS  47 -14.721  -6.601  -1.828
  499    HZ2  LYS  47           HZ2      LYS  47 -16.384  -6.791  -2.061
  500    HZ3  LYS  47           HZ3      LYS  47 -15.779  -6.455  -0.518
  501    H    LYS  48           HN       LYS  48 -13.132  -6.057  -5.067
  502    HA   LYS  48           HA       LYS  48 -11.496  -8.378  -4.332
  503    HB2  LYS  48           HB2      LYS  48 -13.629  -8.463  -3.060
  504    HB3  LYS  48           HB1      LYS  48 -14.512  -8.421  -4.579
  505    HG2  LYS  48           HG2      LYS  48 -13.643 -10.550  -5.225
  506    HG3  LYS  48           HG1      LYS  48 -12.544 -10.575  -3.845
  507    HD2  LYS  48           HD2      LYS  48 -14.466 -10.627  -2.323
  508    HD3  LYS  48           HD1      LYS  48 -15.559 -10.611  -3.709
  509    HE2  LYS  48           HE2      LYS  48 -14.738 -12.740  -4.453
  510    HE3  LYS  48           HE1      LYS  48 -13.482 -12.736  -3.217
  511    HZ1  LYS  48           HZ1      LYS  48 -16.402 -12.819  -2.690
  512    HZ2  LYS  48           HZ2      LYS  48 -15.180 -12.866  -1.520
  513    HZ3  LYS  48           HZ3      LYS  48 -15.357 -14.145  -2.612
  514    H    GLU  49           HN       GLU  49 -10.415  -8.062  -6.301
  515    HA   GLU  49           HA       GLU  49 -11.951  -8.276  -8.762
  516    HB2  GLU  49           HB2      GLU  49 -10.086  -6.658  -8.633
  517    HB3  GLU  49           HB1      GLU  49  -8.969  -7.983  -8.353
  518    HG2  GLU  49           HG2      GLU  49  -9.481  -8.901 -10.543
  519    HG3  GLU  49           HG1      GLU  49 -10.639  -7.604 -10.825
  Start of MODEL    7
    1    H1   MET -18           HT1      MET -18  12.495  -2.569 -26.720
    2    H2   MET -18           HT2      MET -18  12.568  -3.134 -28.310
    3    H3   MET -18           HT3      MET -18  13.730  -2.046 -27.744
    4    HA   MET -18           HA       MET -18  13.328  -4.800 -26.754
    5    HB2  MET -18           HB2      MET -18  15.549  -3.639 -28.451
    6    HB3  MET -18           HB1      MET -18  15.496  -5.278 -27.819
    7    HG2  MET -18           HG2      MET -18  13.577  -4.079 -29.803
    8    HG3  MET -18           HG1      MET -18  14.872  -5.219 -30.161
    9    HE1  MET -18           HE1      MET -18  11.788  -5.619 -31.016
   10    HE2  MET -18           HE2      MET -18  11.612  -7.343 -30.687
   11    HE3  MET -18           HE3      MET -18  13.090  -6.734 -31.432
   12    H    ALA -17           HN       ALA -17  13.300  -4.033 -24.618
   13    HA   ALA -17           HA       ALA -17  15.953  -3.467 -23.566
   14    HB1  ALA -17           HB1      ALA -17  13.583  -1.709 -22.929
   15    HB2  ALA -17           HB2      ALA -17  14.982  -1.246 -23.897
   16    HB3  ALA -17           HB3      ALA -17  15.178  -1.610 -22.184
   17    H    HIS -16           HN       HIS -16  12.690  -3.234 -22.184
   18    HA   HIS -16           HA       HIS -16  11.701  -4.248 -20.414
   19    HB2  HIS -16           HB2      HIS -16  13.044  -6.610 -21.728
   20    HB3  HIS -16           HB1      HIS -16  11.945  -6.779 -20.363
   21    HD1  HIS -16           HD1      HIS -16  11.991  -6.646 -23.980
   22    HD2  HIS -16           HD2      HIS -16   9.260  -5.715 -20.987
   23    HE1  HIS -16           HE1      HIS -16   9.756  -6.525 -25.117
   24    HE2  HIS -16           HE2      HIS -16   8.137  -5.852 -23.316
   25    H    HIS -15           HN       HIS -15  13.638  -2.874 -19.413
   26    HA   HIS -15           HA       HIS -15  14.931  -4.665 -17.463
   27    HB2  HIS -15           HB2      HIS -15  16.030  -2.143 -18.717
   28    HB3  HIS -15           HB1      HIS -15  16.714  -2.870 -17.266
   29    HD1  HIS -15           HD1      HIS -15  17.792  -2.599 -20.427
   30    HD2  HIS -15           HD2      HIS -15  16.825  -5.979 -18.214
   31    HE1  HIS -15           HE1      HIS -15  19.055  -4.491 -21.495
   32    HE2  HIS -15           HE2      HIS -15  18.315  -6.546 -20.247
   33    H    HIS -14           HN       HIS -14  15.240  -3.729 -15.334
   34    HA   HIS -14           HA       HIS -14  14.447  -2.776 -13.448
   35    HB2  HIS -14           HB2      HIS -14  13.820  -0.538 -15.365
   36    HB3  HIS -14           HB1      HIS -14  13.416  -0.435 -13.655
   37    HD1  HIS -14           HD1      HIS -14  15.287   0.111 -12.044
   38    HD2  HIS -14           HD2      HIS -14  16.624  -0.586 -15.918
   39    HE1  HIS -14           HE1      HIS -14  17.701   0.806 -12.063
   40    HE2  HIS -14           HE2      HIS -14  18.440   0.528 -14.453
   41    H    HIS -13           HN       HIS -13  11.924  -1.300 -15.412
   42    HA   HIS -13           HA       HIS -13   9.664  -1.414 -15.286
   43    HB2  HIS -13           HB2      HIS -13  10.516  -4.272 -15.445
   44    HB3  HIS -13           HB1      HIS -13   8.812  -3.903 -15.196
   45    HD1  HIS -13           HD1      HIS -13   7.484  -3.304 -17.219
   46    HD2  HIS -13           HD2      HIS -13  11.579  -3.110 -17.902
   47    HE1  HIS -13           HE1      HIS -13   7.738  -2.889 -19.682
   48    HE2  HIS -13           HE2      HIS -13  10.209  -2.547 -20.025
   49    H    HIS -12           HN       HIS -12  10.406  -0.539 -13.003
   50    HA   HIS -12           HA       HIS -12   9.342  -2.219 -10.867
   51    HB2  HIS -12           HB2      HIS -12  11.484  -1.026 -10.526
   52    HB3  HIS -12           HB1      HIS -12  10.657   0.508 -10.757
   53    HD1  HIS -12           HD1      HIS -12  10.609  -2.448  -8.365
   54    HD2  HIS -12           HD2      HIS -12   9.735   1.612  -8.464
   55    HE1  HIS -12           HE1      HIS -12  10.087  -1.810  -5.991
   56    HE2  HIS -12           HE2      HIS -12   9.751   0.686  -6.053
   57    H    HIS -11           HN       HIS -11   7.189  -2.104 -11.828
   58    HA   HIS -11           HA       HIS -11   5.803   0.416 -11.918
   59    HB2  HIS -11           HB2      HIS -11   5.213  -1.439 -13.440
   60    HB3  HIS -11           HB1      HIS -11   4.721  -2.413 -12.061
   61    HD1  HIS -11           HD1      HIS -11   3.559   0.279 -14.330
   62    HD2  HIS -11           HD2      HIS -11   2.258  -1.611 -10.866
   63    HE1  HIS -11           HE1      HIS -11   1.139   0.915 -14.080
   64    HE2  HIS -11           HE2      HIS -11   0.335  -0.368 -12.067
   65    H    SER -10           HN       SER -10   6.202  -2.188  -9.650
   66    HA   SER -10           HA       SER -10   4.030  -1.588  -7.946
   67    HB2  SER -10           HB2      SER -10   6.652  -2.902  -7.196
   68    HB3  SER -10           HB1      SER -10   5.099  -3.078  -6.376
   69    HG   SER -10           HG       SER -10   4.472  -3.800  -8.700
   70    H    SER  -9           HN       SER  -9   3.780  -0.012  -6.489
   71    HA   SER  -9           HA       SER  -9   5.764   1.974  -6.051
   72    HB2  SER  -9           HB2      SER  -9   3.247   1.424  -4.454
   73    HB3  SER  -9           HB1      SER  -9   4.165   2.931  -4.481
   74    HG   SER  -9           HG       SER  -9   3.682   3.026  -6.760
   75    H    GLY  -8           HN       GLY  -8   7.192   2.210  -4.385
   76    HA2  GLY  -8           HA2      GLY  -8   7.772  -0.211  -2.902
   77    HA3  GLY  -8           HA1      GLY  -8   8.772   1.229  -2.991
   78    H    LEU  -7           HN       LEU  -7   8.158  -0.271  -0.653
   79    HA   LEU  -7           HA       LEU  -7   6.204   1.153   0.877
   80    HB2  LEU  -7           HB2      LEU  -7   7.428  -0.062   2.826
   81    HB3  LEU  -7           HB1      LEU  -7   6.452  -0.999   1.706
   82    HG   LEU  -7           HG       LEU  -7   9.390  -0.739   1.179
   83   HD11  LEU  -7          HD11      LEU  -7   9.829  -2.656   2.634
   84   HD12  LEU  -7          HD12      LEU  -7   8.166  -2.596   3.218
   85   HD13  LEU  -7          HD13      LEU  -7   9.270  -1.264   3.559
   86   HD21  LEU  -7          HD21      LEU  -7   9.091  -2.981   0.292
   87   HD22  LEU  -7          HD22      LEU  -7   7.899  -1.892  -0.415
   88   HD23  LEU  -7          HD23      LEU  -7   7.422  -3.008   0.862
   89    H    GLU  -6           HN       GLU  -6   6.913   3.275   0.449
   90    HA   GLU  -6           HA       GLU  -6   9.165   4.160   2.127
   91    HB2  GLU  -6           HB2      GLU  -6   8.461   5.119  -0.656
   92    HB3  GLU  -6           HB1      GLU  -6   9.678   5.853   0.378
   93    HG2  GLU  -6           HG2      GLU  -6  11.142   4.093   0.138
   94    HG3  GLU  -6           HG1      GLU  -6   9.865   2.952  -0.282
   95    H    VAL  -5           HN       VAL  -5   6.862   4.235   3.317
   96    HA   VAL  -5           HA       VAL  -5   6.049   7.039   3.274
   97    HB   VAL  -5           HB       VAL  -5   4.407   5.995   1.838
   98   HG11  VAL  -5          HG11      VAL  -5   3.002   4.152   2.526
   99   HG12  VAL  -5          HG12      VAL  -5   3.878   4.040   4.055
  100   HG13  VAL  -5          HG13      VAL  -5   4.707   3.692   2.537
  101   HG21  VAL  -5          HG21      VAL  -5   3.299   6.582   4.567
  102   HG22  VAL  -5          HG22      VAL  -5   2.310   6.356   3.128
  103   HG23  VAL  -5          HG23      VAL  -5   3.462   7.690   3.204
  104    H    LEU  -4           HN       LEU  -4   7.729   6.161   5.046
  105    HA   LEU  -4           HA       LEU  -4   6.495   4.843   7.286
  106    HB2  LEU  -4           HB2      LEU  -4   8.757   5.158   8.345
  107    HB3  LEU  -4           HB1      LEU  -4   8.720   4.208   6.877
  108    HG   LEU  -4           HG       LEU  -4   9.410   6.395   5.687
  109   HD11  LEU  -4          HD11      LEU  -4   9.023   7.915   7.552
  110   HD12  LEU  -4          HD12      LEU  -4  10.716   7.935   7.056
  111   HD13  LEU  -4          HD13      LEU  -4  10.233   7.060   8.508
  112   HD21  LEU  -4          HD21      LEU  -4  11.314   4.951   7.521
  113   HD22  LEU  -4          HD22      LEU  -4  11.769   5.929   6.125
  114   HD23  LEU  -4          HD23      LEU  -4  10.841   4.447   5.898
  115    H    PHE  -3           HN       PHE  -3   6.205   7.894   6.281
  116    HA   PHE  -3           HA       PHE  -3   6.626   9.220   8.808
  117    HB2  PHE  -3           HB2      PHE  -3   5.768  11.235   7.668
  118    HB3  PHE  -3           HB1      PHE  -3   7.091  10.478   6.793
  119    HD1  PHE  -3           HD1      PHE  -3   6.741   9.490   4.624
  120    HD2  PHE  -3           HD2      PHE  -3   3.500  11.184   6.796
  121    HE1  PHE  -3           HE1      PHE  -3   5.351   9.426   2.597
  122    HE2  PHE  -3           HE2      PHE  -3   2.106  11.126   4.773
  123    HZ   PHE  -3           HZ       PHE  -3   3.067  10.312   2.642
  124    H    GLN  -2           HN       GLN  -2   4.143   7.386   7.447
  125    HA   GLN  -2           HA       GLN  -2   2.426   7.932   9.677
  126    HB2  GLN  -2           HB2      GLN  -2   1.864   9.810   8.149
  127    HB3  GLN  -2           HB1      GLN  -2   1.398   8.644   6.919
  128    HG2  GLN  -2           HG2      GLN  -2  -0.524   9.577   8.125
  129    HG3  GLN  -2           HG1      GLN  -2  -0.392   7.829   8.310
  130   HE21  GLN  -2          HE21      GLN  -2   0.002  10.913   9.877
  131   HE22  GLN  -2          HE22      GLN  -2   0.007  10.308  11.498
  132    H    GLY  -1           HN       GLY  -1   1.950   5.901  10.244
  133    HA2  GLY  -1           HA2      GLY  -1   0.148   4.256   9.575
  134    HA3  GLY  -1           HA1      GLY  -1   1.086   4.053   8.107
  135    HA   PRO   0           HA       PRO   0   2.923   1.257  11.436
  136    HB2  PRO   0           HB2      PRO   0   1.062  -0.346  12.453
  137    HB3  PRO   0           HB1      PRO   0   1.264   1.297  13.070
  138    HG2  PRO   0           HG2      PRO   0  -0.820   0.200  11.241
  139    HG3  PRO   0           HG1      PRO   0  -0.972   1.421  12.515
  140    HD2  PRO   0           HD2      PRO   0  -0.690   1.906   9.762
  141    HD3  PRO   0           HD1      PRO   0  -0.521   3.098  11.063
  142    H    ARG   1           HN       ARG   1   2.171  -1.440  11.627
  143    HA   ARG   1           HA       ARG   1   1.606  -2.376   8.910
  144    HB2  ARG   1           HB2      ARG   1   3.357  -4.129   9.148
  145    HB3  ARG   1           HB1      ARG   1   4.016  -2.502   9.058
  146    HG2  ARG   1           HG2      ARG   1   4.391  -2.477  11.439
  147    HG3  ARG   1           HG1      ARG   1   3.611  -4.049  11.607
  148    HD2  ARG   1           HD2      ARG   1   6.018  -4.310  11.649
  149    HD3  ARG   1           HD1      ARG   1   5.356  -5.045  10.191
  150    HE   ARG   1           HE       ARG   1   6.316  -2.318   9.931
  151   HH11  ARG   1          HH11      ARG   1   6.970  -5.731   9.495
  152   HH12  ARG   1          HH12      ARG   1   8.288  -5.470   8.399
  153   HH21  ARG   1          HH21      ARG   1   8.051  -1.971   8.488
  154   HH22  ARG   1          HH22      ARG   1   8.907  -3.329   7.831
  155    H    ARG   2           HN       ARG   2   1.126  -4.870   9.017
  156    HA   ARG   2           HA       ARG   2  -0.096  -5.637  11.534
  157    HB2  ARG   2           HB2      ARG   2  -1.728  -4.035  10.252
  158    HB3  ARG   2           HB1      ARG   2  -1.978  -5.418   9.210
  159    HG2  ARG   2           HG2      ARG   2  -2.716  -6.750  11.080
  160    HG3  ARG   2           HG1      ARG   2  -2.423  -5.386  12.145
  161    HD2  ARG   2           HD2      ARG   2  -4.098  -4.070  10.957
  162    HD3  ARG   2           HD1      ARG   2  -4.382  -5.424   9.864
  163    HE   ARG   2           HE       ARG   2  -4.759  -6.085  12.635
  164   HH11  ARG   2          HH11      ARG   2  -6.292  -4.766   9.781
  165   HH12  ARG   2          HH12      ARG   2  -7.900  -5.154  10.300
  166   HH21  ARG   2          HH21      ARG   2  -6.871  -6.598  13.330
  167   HH22  ARG   2          HH22      ARG   2  -8.229  -6.190  12.330
  168    H    ALA   3           HN       ALA   3   1.796  -6.610   9.384
  169    HA   ALA   3           HA       ALA   3   2.543  -8.620   8.645
  170    HB1  ALA   3           HB1      ALA   3   2.116  -9.295  10.936
  171    HB2  ALA   3           HB2      ALA   3   1.847 -10.622   9.810
  172    HB3  ALA   3           HB3      ALA   3   0.475  -9.761  10.502
  173    H    GLY   4           HN       GLY   4  -0.692  -9.983   9.054
  174    HA2  GLY   4           HA2      GLY   4  -0.642 -10.519   6.141
  175    HA3  GLY   4           HA1      GLY   4  -1.022 -11.752   7.327
  176    H    THR   5           HN       THR   5  -2.135  -8.399   6.892
  177    HA   THR   5           HA       THR   5  -4.894  -9.242   7.283
  178    HB   THR   5           HB       THR   5  -4.050  -6.425   6.605
  179    HG1  THR   5           HG1      THR   5  -3.426  -7.925   8.925
  180   HG21  THR   5          HG21      THR   5  -5.772  -5.889   8.331
  181   HG22  THR   5          HG22      THR   5  -6.079  -7.603   8.546
  182   HG23  THR   5          HG23      THR   5  -6.446  -6.830   7.004
  183    H    CYS   6           HN       CYS   6  -6.391  -7.677   5.684
  184    HA   CYS   6           HA       CYS   6  -5.428  -8.081   2.926
  185    HB2  CYS   6           HB2      CYS   6  -7.925  -8.030   2.377
  186    HB3  CYS   6           HB1      CYS   6  -7.321  -9.433   3.228
  187    HG   CYS   6           HG       CYS   6  -9.374  -6.990   4.349
  188    H    CYS   7           HN       CYS   7  -5.857  -6.433   1.370
  189    HA   CYS   7           HA       CYS   7  -5.731  -3.819   2.604
  190    HB2  CYS   7           HB2      CYS   7  -4.267  -4.306   0.666
  191    HB3  CYS   7           HB1      CYS   7  -5.663  -4.498  -0.349
  192    H    ALA   8           HN       ALA   8  -7.364  -2.428   2.896
  193    HA   ALA   8           HA       ALA   8 -10.042  -2.836   2.256
  194    HB1  ALA   8           HB1      ALA   8  -8.721  -0.196   2.813
  195    HB2  ALA   8           HB2      ALA   8  -9.225  -1.347   4.054
  196    HB3  ALA   8           HB3      ALA   8 -10.425  -0.590   3.008
  197    H    ASN   9           HN       ASN   9  -8.336  -2.980  -0.121
  198    HA   ASN   9           HA       ASN   9  -9.781  -1.355  -1.956
  199    HB2  ASN   9           HB2      ASN   9  -8.255   0.357  -1.190
  200    HB3  ASN   9           HB1      ASN   9  -6.851  -0.731  -1.443
  201   HD21  ASN   9          HD21      ASN   9  -6.059  -1.022  -3.492
  202   HD22  ASN   9          HD22      ASN   9  -6.550  -0.106  -4.852
  203    H    CYS  10           HN       CYS  10  -6.900  -3.408  -1.433
  204    HA   CYS  10           HA       CYS  10  -7.260  -4.393  -4.183
  205    HB2  CYS  10           HB2      CYS  10  -4.693  -4.706  -2.605
  206    HB3  CYS  10           HB1      CYS  10  -4.973  -4.799  -4.367
  207    H    GLN  11           HN       GLN  11  -7.939  -5.275  -1.116
  208    HA   GLN  11           HA       GLN  11  -7.920  -7.100   0.210
  209    HB2  GLN  11           HB2      GLN  11  -8.938  -8.003  -2.452
  210    HB3  GLN  11           HB1      GLN  11  -8.970  -9.075  -1.060
  211    HG2  GLN  11           HG2      GLN  11 -11.097  -8.115  -1.149
  212    HG3  GLN  11           HG1      GLN  11 -10.257  -7.216   0.112
  213   HE21  GLN  11          HE21      GLN  11 -11.514  -7.122  -3.124
  214   HE22  GLN  11          HE22      GLN  11 -11.461  -5.403  -3.311
  215    H    THR  12           HN       THR  12  -5.353  -6.840  -1.616
  216    HA   THR  12           HA       THR  12  -4.300  -9.431  -1.737
  217    HB   THR  12           HB       THR  12  -3.300  -7.391  -2.887
  218    HG1  THR  12           HG1      THR  12  -1.730  -8.777  -3.091
  219   HG21  THR  12          HG21      THR  12  -3.240  -5.873  -0.936
  220   HG22  THR  12          HG22      THR  12  -1.625  -6.108  -1.611
  221   HG23  THR  12          HG23      THR  12  -2.095  -6.955  -0.139
  222    H    THR  13           HN       THR  13  -2.901 -10.446  -0.359
  223    HA   THR  13           HA       THR  13  -2.813  -9.450   2.394
  224    HB   THR  13           HB       THR  13  -3.055 -11.821   3.175
  225    HG1  THR  13           HG1      THR  13  -3.984 -13.292   1.621
  226   HG21  THR  13          HG21      THR  13  -5.432 -11.818   3.053
  227   HG22  THR  13          HG22      THR  13  -5.417 -10.919   1.536
  228   HG23  THR  13          HG23      THR  13  -4.928 -10.121   3.036
  229    H    THR  14           HN       THR  14  -1.055  -9.497   0.026
  230    HA   THR  14           HA       THR  14   1.256 -10.688   1.380
  231    HB   THR  14           HB       THR  14   0.846 -11.956  -0.685
  232    HG1  THR  14           HG1      THR  14   3.158 -10.364  -1.099
  233   HG21  THR  14          HG21      THR  14   1.054  -9.271  -2.014
  234   HG22  THR  14          HG22      THR  14  -0.151 -10.543  -2.260
  235   HG23  THR  14          HG23      THR  14   1.485 -10.748  -2.869
  236    H    THR  15           HN       THR  15   1.199  -8.677   2.474
  237    HA   THR  15           HA       THR  15   2.747  -6.618   1.146
  238    HB   THR  15           HB       THR  15   0.097  -5.785   2.405
  239    HG1  THR  15           HG1      THR  15   0.689  -6.698  -0.098
  240   HG21  THR  15          HG21      THR  15   2.151  -4.269   0.801
  241   HG22  THR  15          HG22      THR  15   1.920  -4.155   2.543
  242   HG23  THR  15          HG23      THR  15   0.645  -3.623   1.451
  243    H    THR  16           HN       THR  16   4.020  -5.485   2.604
  244    HA   THR  16           HA       THR  16   4.025  -6.634   5.296
  245    HB   THR  16           HB       THR  16   6.205  -4.976   4.012
  246    HG1  THR  16           HG1      THR  16   5.571  -7.728   3.789
  247   HG21  THR  16          HG21      THR  16   7.653  -6.072   5.619
  248   HG22  THR  16          HG22      THR  16   6.307  -7.041   6.216
  249   HG23  THR  16          HG23      THR  16   6.316  -5.296   6.470
  250    H    LEU  17           HN       LEU  17   2.999  -3.829   3.756
  251    HA   LEU  17           HA       LEU  17   3.614  -2.168   6.169
  252    HB2  LEU  17           HB2      LEU  17   4.966  -1.665   4.081
  253    HB3  LEU  17           HB1      LEU  17   3.467  -1.151   3.336
  254    HG   LEU  17           HG       LEU  17   3.237   0.585   5.084
  255   HD11  LEU  17          HD11      LEU  17   5.171   1.064   6.509
  256   HD12  LEU  17          HD12      LEU  17   5.985  -0.369   5.882
  257   HD13  LEU  17          HD13      LEU  17   4.513  -0.538   6.837
  258   HD21  LEU  17          HD21      LEU  17   5.071   2.020   4.276
  259   HD22  LEU  17          HD22      LEU  17   4.230   1.185   2.973
  260   HD23  LEU  17          HD23      LEU  17   5.804   0.612   3.514
  261    H    TRP  18           HN       TRP  18   1.520  -2.783   6.928
  262    HA   TRP  18           HA       TRP  18  -0.805  -2.005   5.447
  263    HB2  TRP  18           HB2      TRP  18  -0.574  -3.241   8.183
  264    HB3  TRP  18           HB1      TRP  18  -2.053  -2.993   7.340
  265    HD1  TRP  18           HD1      TRP  18   0.827  -5.378   7.534
  266    HE1  TRP  18           HE1      TRP  18   0.386  -7.349   6.018
  267    HE3  TRP  18           HE3      TRP  18  -3.225  -3.604   4.963
  268    HZ2  TRP  18           HZ2      TRP  18  -1.387  -8.128   4.043
  269    HZ3  TRP  18           HZ3      TRP  18  -4.290  -5.078   3.287
  270    HH2  TRP  18           HH2      TRP  18  -3.383  -7.255   2.800
  271    H    ARG  19           HN       ARG  19  -0.799   0.205   5.377
  272    HA   ARG  19           HA       ARG  19  -0.895   1.806   7.857
  273    HB2  ARG  19           HB2      ARG  19  -1.656   3.288   5.495
  274    HB3  ARG  19           HB1      ARG  19  -0.208   3.448   6.481
  275    HG2  ARG  19           HG2      ARG  19   0.522   1.318   5.130
  276    HG3  ARG  19           HG1      ARG  19  -0.635   1.936   3.971
  277    HD2  ARG  19           HD2      ARG  19   1.659   2.718   3.528
  278    HD3  ARG  19           HD1      ARG  19   0.528   4.031   3.819
  279    HE   ARG  19           HE       ARG  19   2.098   4.716   5.301
  280   HH11  ARG  19          HH11      ARG  19   1.694   1.269   5.995
  281   HH12  ARG  19          HH12      ARG  19   2.893   1.279   7.231
  282   HH21  ARG  19          HH21      ARG  19   3.704   4.647   6.869
  283   HH22  ARG  19          HH22      ARG  19   4.037   3.169   7.720
  284    H    ARG  20           HN       ARG  20  -2.780   3.479   7.955
  285    HA   ARG  20           HA       ARG  20  -5.286   2.068   7.452
  286    HB2  ARG  20           HB2      ARG  20  -4.523   4.285   9.330
  287    HB3  ARG  20           HB1      ARG  20  -6.194   3.896   8.999
  288    HG2  ARG  20           HG2      ARG  20  -4.191   2.445  10.588
  289    HG3  ARG  20           HG1      ARG  20  -5.929   2.638  10.810
  290    HD2  ARG  20           HD2      ARG  20  -6.321   1.036   8.981
  291    HD3  ARG  20           HD1      ARG  20  -4.580   0.794   8.851
  292    HE   ARG  20           HE       ARG  20  -6.291  -0.047  11.082
  293   HH11  ARG  20          HH11      ARG  20  -3.195  -0.115   9.440
  294   HH12  ARG  20          HH12      ARG  20  -2.557  -1.390  10.426
  295   HH21  ARG  20          HH21      ARG  20  -5.467  -1.761  12.348
  296   HH22  ARG  20          HH22      ARG  20  -3.850  -2.330  12.073
  297    H    ASN  21           HN       ASN  21  -6.986   3.015   6.395
  298    HA   ASN  21           HA       ASN  21  -6.355   5.386   4.816
  299    HB2  ASN  21           HB2      ASN  21  -8.258   4.918   3.430
  300    HB3  ASN  21           HB1      ASN  21  -7.430   3.362   3.707
  301   HD21  ASN  21          HD21      ASN  21  -9.616   2.643   2.920
  302   HD22  ASN  21          HD22      ASN  21 -10.881   2.479   4.058
  303    H    ALA  22           HN       ALA  22  -9.007   6.551   4.566
  304    HA   ALA  22           HA       ALA  22  -8.882   8.324   6.723
  305    HB1  ALA  22           HB1      ALA  22 -11.249   7.772   4.954
  306    HB2  ALA  22           HB2      ALA  22  -9.897   8.831   4.549
  307    HB3  ALA  22           HB3      ALA  22 -10.958   9.234   5.897
  308    H    ASN  23           HN       ASN  23 -10.342   5.223   6.656
  309    HA   ASN  23           HA       ASN  23 -12.291   5.930   8.724
  310    HB2  ASN  23           HB2      ASN  23 -12.969   4.696   6.571
  311    HB3  ASN  23           HB1      ASN  23 -12.070   3.345   7.227
  312   HD21  ASN  23          HD21      ASN  23 -14.221   2.196   7.169
  313   HD22  ASN  23          HD22      ASN  23 -15.302   2.455   8.488
  314    H    GLY  24           HN       GLY  24  -9.227   5.068   8.454
  315    HA2  GLY  24           HA2      GLY  24  -7.739   4.065   9.913
  316    HA3  GLY  24           HA1      GLY  24  -9.104   3.648  10.934
  317    H    ASP  25           HN       ASP  25  -9.087   2.889   7.557
  318    HA   ASP  25           HA       ASP  25  -9.324   0.083   8.316
  319    HB2  ASP  25           HB2      ASP  25 -10.780   1.560   6.490
  320    HB3  ASP  25           HB1      ASP  25  -9.668   0.634   5.469
  321    HA   PRO  26           HA       PRO  26  -5.283  -0.952   7.202
  322    HB2  PRO  26           HB2      PRO  26  -5.743  -3.570   6.394
  323    HB3  PRO  26           HB1      PRO  26  -5.630  -3.027   8.098
  324    HG2  PRO  26           HG2      PRO  26  -8.042  -3.569   6.407
  325    HG3  PRO  26           HG1      PRO  26  -7.767  -3.923   8.136
  326    HD2  PRO  26           HD2      PRO  26  -9.267  -1.788   7.313
  327    HD3  PRO  26           HD1      PRO  26  -8.281  -1.747   8.783
  328    H    VAL  27           HN       VAL  27  -4.002  -0.680   5.466
  329    HA   VAL  27           HA       VAL  27  -5.036  -1.485   2.830
  330    HB   VAL  27           HB       VAL  27  -3.973   0.719   1.879
  331   HG11  VAL  27          HG11      VAL  27  -6.735   0.664   3.061
  332   HG12  VAL  27          HG12      VAL  27  -6.266   0.067   1.466
  333   HG13  VAL  27          HG13      VAL  27  -6.174   1.794   1.834
  334   HG21  VAL  27          HG21      VAL  27  -3.278   1.771   3.929
  335   HG22  VAL  27          HG22      VAL  27  -4.908   1.668   4.576
  336   HG23  VAL  27          HG23      VAL  27  -4.565   2.711   3.198
  337    H    CYS  28           HN       CYS  28  -3.479  -1.844   1.276
  338    HA   CYS  28           HA       CYS  28  -1.006  -2.788   2.273
  339    HB2  CYS  28           HB2      CYS  28  -0.763  -3.616   0.022
  340    HB3  CYS  28           HB1      CYS  28  -2.483  -3.575   0.293
  341    H    ASN  29           HN       ASN  29   1.206  -1.915   1.172
  342    HA   ASN  29           HA       ASN  29   1.619   0.628   2.121
  343    HB2  ASN  29           HB2      ASN  29   3.722  -0.277   1.835
  344    HB3  ASN  29           HB1      ASN  29   3.152  -1.340   0.545
  345   HD21  ASN  29          HD21      ASN  29   3.388   2.270   0.726
  346   HD22  ASN  29          HD22      ASN  29   4.458   2.369  -0.615
  347    H    ALA  30           HN       ALA  30   1.217  -0.273  -1.281
  348    HA   ALA  30           HA       ALA  30   1.519   2.224  -2.386
  349    HB1  ALA  30           HB1      ALA  30   1.262   0.202  -3.718
  350    HB2  ALA  30           HB2      ALA  30   0.209   1.514  -4.254
  351    HB3  ALA  30           HB3      ALA  30  -0.458   0.175  -3.320
  352    H    CYS  31           HN       CYS  31  -1.443   0.884  -0.975
  353    HA   CYS  31           HA       CYS  31  -3.049   3.104  -1.770
  354    HB2  CYS  31           HB2      CYS  31  -3.568   0.896   0.144
  355    HB3  CYS  31           HB1      CYS  31  -4.735   2.122  -0.258
  356    H    GLY  32           HN       GLY  32  -1.608   2.179   1.349
  357    HA2  GLY  32           HA2      GLY  32  -2.608   4.549   2.635
  358    HA3  GLY  32           HA1      GLY  32  -1.296   3.506   3.258
  359    H    LEU  33           HN       LEU  33   0.198   3.799   0.714
  360    HA   LEU  33           HA       LEU  33   1.602   6.220   1.351
  361    HB2  LEU  33           HB2      LEU  33   2.695   4.166   0.439
  362    HB3  LEU  33           HB1      LEU  33   1.926   4.470  -1.090
  363    HG   LEU  33           HG       LEU  33   3.527   6.696  -0.076
  364   HD11  LEU  33          HD11      LEU  33   4.874   4.203  -1.108
  365   HD12  LEU  33          HD12      LEU  33   4.854   4.661   0.591
  366   HD13  LEU  33          HD13      LEU  33   5.647   5.701  -0.591
  367   HD21  LEU  33          HD21      LEU  33   2.415   6.574  -2.276
  368   HD22  LEU  33          HD22      LEU  33   3.439   5.193  -2.671
  369   HD23  LEU  33          HD23      LEU  33   4.164   6.780  -2.401
  370    H    TYR  34           HN       TYR  34  -0.559   5.101  -1.235
  371    HA   TYR  34           HA       TYR  34  -0.167   7.425  -2.731
  372    HB2  TYR  34           HB2      TYR  34  -0.777   5.333  -3.786
  373    HB3  TYR  34           HB1      TYR  34  -2.279   5.281  -2.896
  374    HD1  TYR  34           HD1      TYR  34  -4.107   6.803  -3.463
  375    HD2  TYR  34           HD2      TYR  34  -0.559   6.547  -5.782
  376    HE1  TYR  34           HE1      TYR  34  -5.225   8.023  -5.278
  377    HE2  TYR  34           HE2      TYR  34  -1.663   7.779  -7.600
  378    HH   TYR  34           HH       TYR  34  -3.968   8.221  -8.412
  379    H    TYR  35           HN       TYR  35  -2.761   6.346  -0.572
  380    HA   TYR  35           HA       TYR  35  -4.412   8.591  -0.898
  381    HB2  TYR  35           HB2      TYR  35  -5.042   6.473   0.304
  382    HB3  TYR  35           HB1      TYR  35  -4.052   7.018   1.643
  383    HD1  TYR  35           HD1      TYR  35  -7.249   7.214   0.087
  384    HD2  TYR  35           HD2      TYR  35  -4.662   9.143   2.818
  385    HE1  TYR  35           HE1      TYR  35  -9.132   8.448   0.987
  386    HE2  TYR  35           HE2      TYR  35  -6.527  10.387   3.754
  387    HH   TYR  35           HH       TYR  35  -9.782   9.635   3.038
  388    H    LYS  36           HN       LYS  36  -1.415   8.218   0.802
  389    HA   LYS  36           HA       LYS  36  -1.813  10.434   2.541
  390    HB2  LYS  36           HB2      LYS  36   0.418   8.637   1.814
  391    HB3  LYS  36           HB1      LYS  36   0.861  10.230   2.406
  392    HG2  LYS  36           HG2      LYS  36   0.648   8.345   4.099
  393    HG3  LYS  36           HG1      LYS  36  -0.065   9.893   4.473
  394    HD2  LYS  36           HD2      LYS  36  -2.269   9.009   3.755
  395    HD3  LYS  36           HD1      LYS  36  -1.512   7.433   3.523
  396    HE2  LYS  36           HE2      LYS  36  -0.926   7.335   5.875
  397    HE3  LYS  36           HE1      LYS  36  -1.593   8.946   6.129
  398    HZ1  LYS  36           HZ1      LYS  36  -3.774   8.070   5.485
  399    HZ2  LYS  36           HZ2      LYS  36  -3.151   7.287   6.844
  400    HZ3  LYS  36           HZ3      LYS  36  -3.114   6.518   5.342
  401    H    LEU  37           HN       LEU  37  -0.489   9.891  -0.598
  402    HA   LEU  37           HA       LEU  37   0.572  12.523  -0.895
  403    HB2  LEU  37           HB2      LEU  37  -0.087  10.753  -3.227
  404    HB3  LEU  37           HB1      LEU  37   1.263  11.867  -3.020
  405    HG   LEU  37           HG       LEU  37   0.997   9.312  -1.465
  406   HD11  LEU  37          HD11      LEU  37   2.617   8.359  -3.058
  407   HD12  LEU  37          HD12      LEU  37   2.423   9.784  -4.076
  408   HD13  LEU  37          HD13      LEU  37   1.056   8.703  -3.796
  409   HD21  LEU  37          HD21      LEU  37   3.390   9.577  -1.132
  410   HD22  LEU  37          HD22      LEU  37   2.521  10.995  -0.541
  411   HD23  LEU  37          HD23      LEU  37   3.368  11.057  -2.087
  412    H    HIS  38           HN       HIS  38  -2.389  10.828  -1.766
  413    HA   HIS  38           HA       HIS  38  -3.225  13.166  -3.351
  414    HB2  HIS  38           HB2      HIS  38  -3.473  10.230  -3.953
  415    HB3  HIS  38           HB1      HIS  38  -4.342  11.462  -4.854
  416    HD1  HIS  38           HD1      HIS  38  -2.307   9.729  -6.335
  417    HD2  HIS  38           HD2      HIS  38  -1.328  13.333  -4.527
  418    HE1  HIS  38           HE1      HIS  38  -0.148  10.458  -7.394
  419    HE2  HIS  38           HE2      HIS  38   0.300  12.741  -6.445
  420    H    ASN  39           HN       ASN  39  -4.036  11.457  -0.661
  421    HA   ASN  39           HA       ASN  39  -5.895  11.388   0.691
  422    HB2  ASN  39           HB2      ASN  39  -5.867  13.847  -0.331
  423    HB3  ASN  39           HB1      ASN  39  -7.367  13.287  -1.024
  424   HD21  ASN  39          HD21      ASN  39  -6.242  12.313   2.247
  425   HD22  ASN  39          HD22      ASN  39  -7.516  13.143   3.060
  426    H    VAL  40           HN       VAL  40  -5.787   9.605  -1.589
  427    HA   VAL  40           HA       VAL  40  -8.568   8.849  -1.655
  428    HB   VAL  40           HB       VAL  40  -8.383   8.465  -4.227
  429   HG11  VAL  40          HG11      VAL  40  -9.425  10.654  -4.637
  430   HG12  VAL  40          HG12      VAL  40  -8.911  11.177  -3.033
  431   HG13  VAL  40          HG13      VAL  40 -10.068   9.855  -3.204
  432   HG21  VAL  40          HG21      VAL  40  -6.698  10.953  -4.028
  433   HG22  VAL  40          HG22      VAL  40  -7.119  10.018  -5.474
  434   HG23  VAL  40          HG23      VAL  40  -6.014   9.349  -4.283
  435    H    ASN  41           HN       ASN  41  -8.868   6.723  -2.730
  436    HA   ASN  41           HA       ASN  41  -6.902   4.927  -1.747
  437    HB2  ASN  41           HB2      ASN  41  -9.471   4.578  -3.249
  438    HB3  ASN  41           HB1      ASN  41  -8.360   3.238  -3.093
  439   HD21  ASN  41          HD21      ASN  41 -10.546   5.328  -1.468
  440   HD22  ASN  41          HD22      ASN  41 -10.608   4.466   0.026
  441    H    ARG  42           HN       ARG  42  -5.999   3.159  -3.148
  442    HA   ARG  42           HA       ARG  42  -4.618   4.520  -5.312
  443    HB2  ARG  42           HB2      ARG  42  -3.203   3.436  -3.715
  444    HB3  ARG  42           HB1      ARG  42  -4.062   1.932  -3.871
  445    HG2  ARG  42           HG2      ARG  42  -2.003   1.734  -5.043
  446    HG3  ARG  42           HG1      ARG  42  -3.308   1.791  -6.225
  447    HD2  ARG  42           HD2      ARG  42  -2.800   4.320  -6.317
  448    HD3  ARG  42           HD1      ARG  42  -1.276   3.883  -5.549
  449    HE   ARG  42           HE       ARG  42  -2.092   2.572  -8.048
  450   HH11  ARG  42          HH11      ARG  42   0.206   4.529  -6.261
  451   HH12  ARG  42          HH12      ARG  42   1.347   4.600  -7.562
  452   HH21  ARG  42          HH21      ARG  42  -0.581   2.657  -9.756
  453   HH22  ARG  42          HH22      ARG  42   0.899   3.533  -9.555
  454    HA   PRO  43           HA       PRO  43  -7.241   2.227  -8.269
  455    HB2  PRO  43           HB2      PRO  43  -5.314   3.716 -10.004
  456    HB3  PRO  43           HB1      PRO  43  -7.063   3.515 -10.188
  457    HG2  PRO  43           HG2      PRO  43  -6.119   5.823  -9.326
  458    HG3  PRO  43           HG1      PRO  43  -7.537   5.100  -8.540
  459    HD2  PRO  43           HD2      PRO  43  -4.680   5.132  -7.621
  460    HD3  PRO  43           HD1      PRO  43  -6.198   5.419  -6.678
  461    H    LEU  44           HN       LEU  44  -6.662   0.191  -8.550
  462    HA   LEU  44           HA       LEU  44  -3.981  -0.551  -9.264
  463    HB2  LEU  44           HB2      LEU  44  -4.532  -0.179  -6.591
  464    HB3  LEU  44           HB1      LEU  44  -4.754  -1.894  -6.783
  465    HG   LEU  44           HG       LEU  44  -2.505  -2.249  -7.390
  466   HD11  LEU  44          HD11      LEU  44  -2.299   0.743  -7.671
  467   HD12  LEU  44          HD12      LEU  44  -2.101  -0.472  -8.935
  468   HD13  LEU  44          HD13      LEU  44  -0.912  -0.342  -7.642
  469   HD21  LEU  44          HD21      LEU  44  -2.724  -0.201  -5.180
  470   HD22  LEU  44          HD22      LEU  44  -1.281  -1.174  -5.497
  471   HD23  LEU  44          HD23      LEU  44  -2.789  -1.962  -5.031
  472    H    THR  45           HN       THR  45  -6.255  -2.412  -7.375
  473    HA   THR  45           HA       THR  45  -7.021  -4.537  -7.728
  474    HB   THR  45           HB       THR  45  -8.448  -4.206 -10.116
  475    HG1  THR  45           HG1      THR  45  -8.643  -2.128 -10.372
  476   HG21  THR  45          HG21      THR  45 -10.380  -3.970  -8.663
  477   HG22  THR  45          HG22      THR  45  -9.345  -3.594  -7.291
  478   HG23  THR  45          HG23      THR  45  -9.296  -5.202  -8.019
  479    H    MET  46           HN       MET  46  -7.229  -4.181 -11.107
  480    HA   MET  46           HA       MET  46  -5.071  -6.158 -11.467
  481    HB2  MET  46           HB2      MET  46  -7.454  -6.979 -11.883
  482    HB3  MET  46           HB1      MET  46  -7.500  -5.883 -13.255
  483    HG2  MET  46           HG2      MET  46  -6.993  -8.189 -13.897
  484    HG3  MET  46           HG1      MET  46  -5.710  -7.062 -14.332
  485    HE1  MET  46           HE1      MET  46  -6.420  -8.448 -10.699
  486    HE2  MET  46           HE2      MET  46  -5.457  -9.926 -10.716
  487    HE3  MET  46           HE3      MET  46  -6.873  -9.786 -11.757
  488    H    LYS  47           HN       LYS  47  -4.160  -6.073 -13.785
  489    HA   LYS  47           HA       LYS  47  -2.849  -3.712 -14.172
  490    HB2  LYS  47           HB2      LYS  47  -2.298  -5.891 -15.252
  491    HB3  LYS  47           HB1      LYS  47  -3.596  -5.605 -16.402
  492    HG2  LYS  47           HG2      LYS  47  -2.461  -3.606 -17.205
  493    HG3  LYS  47           HG1      LYS  47  -1.171  -3.860 -16.030
  494    HD2  LYS  47           HD2      LYS  47  -0.703  -6.052 -17.092
  495    HD3  LYS  47           HD1      LYS  47  -1.912  -5.675 -18.321
  496    HE2  LYS  47           HE2      LYS  47  -0.624  -3.689 -18.960
  497    HE3  LYS  47           HE1      LYS  47   0.586  -4.090 -17.744
  498    HZ1  LYS  47           HZ1      LYS  47   1.024  -6.154 -18.925
  499    HZ2  LYS  47           HZ2      LYS  47   1.274  -4.820 -19.929
  500    HZ3  LYS  47           HZ3      LYS  47  -0.126  -5.754 -20.099
  501    H    LYS  48           HN       LYS  48  -5.871  -4.689 -15.775
  502    HA   LYS  48           HA       LYS  48  -6.411  -1.830 -16.101
  503    HB2  LYS  48           HB2      LYS  48  -5.769  -2.829 -18.302
  504    HB3  LYS  48           HB1      LYS  48  -7.153  -3.905 -18.169
  505    HG2  LYS  48           HG2      LYS  48  -7.674  -2.022 -19.601
  506    HG3  LYS  48           HG1      LYS  48  -8.653  -1.965 -18.135
  507    HD2  LYS  48           HD2      LYS  48  -7.042  -0.343 -17.176
  508    HD3  LYS  48           HD1      LYS  48  -6.170  -0.347 -18.708
  509    HE2  LYS  48           HE2      LYS  48  -7.607   1.565 -18.653
  510    HE3  LYS  48           HE1      LYS  48  -8.251   0.418 -19.826
  511    HZ1  LYS  48           HZ1      LYS  48 -10.016   1.322 -18.477
  512    HZ2  LYS  48           HZ2      LYS  48  -9.241   0.837 -17.056
  513    HZ3  LYS  48           HZ3      LYS  48  -9.839  -0.322 -18.129
  514    H    GLU  49           HN       GLU  49  -7.478  -2.278 -14.040
  515    HA   GLU  49           HA       GLU  49 -10.281  -2.821 -14.553
  516    HB2  GLU  49           HB2      GLU  49  -9.369  -4.983 -13.754
  517    HB3  GLU  49           HB1      GLU  49  -8.785  -4.186 -12.301
  518    HG2  GLU  49           HG2      GLU  49 -11.044  -3.692 -11.614
  519    HG3  GLU  49           HG1      GLU  49 -11.677  -4.361 -13.117
  Start of MODEL    8
    1    H1   MET -18           HT1      MET -18  23.352  13.930  -9.127
    2    H2   MET -18           HT2      MET -18  22.005  13.612 -10.097
    3    H3   MET -18           HT3      MET -18  21.796  14.220  -8.537
    4    HA   MET -18           HA       MET -18  22.768  16.290  -9.119
    5    HB2  MET -18           HB2      MET -18  23.197  14.996 -11.820
    6    HB3  MET -18           HB1      MET -18  23.377  16.717 -11.513
    7    HG2  MET -18           HG2      MET -18  25.543  15.766 -11.490
    8    HG3  MET -18           HG1      MET -18  25.127  16.156  -9.823
    9    HE1  MET -18           HE1      MET -18  24.096  13.122 -12.147
   10    HE2  MET -18           HE2      MET -18  25.249  11.902 -11.612
   11    HE3  MET -18           HE3      MET -18  25.818  13.347 -12.445
   12    H    ALA -17           HN       ALA -17  21.446  17.936  -9.769
   13    HA   ALA -17           HA       ALA -17  19.530  18.990 -10.335
   14    HB1  ALA -17           HB1      ALA -17  19.480  16.926 -12.528
   15    HB2  ALA -17           HB2      ALA -17  20.269  18.502 -12.588
   16    HB3  ALA -17           HB3      ALA -17  18.512  18.397 -12.487
   17    H    HIS -16           HN       HIS -16  19.042  17.606  -8.203
   18    HA   HIS -16           HA       HIS -16  17.389  16.752  -6.902
   19    HB2  HIS -16           HB2      HIS -16  15.667  17.447  -9.290
   20    HB3  HIS -16           HB1      HIS -16  15.040  16.960  -7.723
   21    HD1  HIS -16           HD1      HIS -16  16.209  19.868  -9.617
   22    HD2  HIS -16           HD2      HIS -16  15.554  18.893  -5.630
   23    HE1  HIS -16           HE1      HIS -16  16.122  22.061  -8.390
   24    HE2  HIS -16           HE2      HIS -16  15.866  21.438  -5.965
   25    H    HIS -15           HN       HIS -15  18.885  14.806  -8.026
   26    HA   HIS -15           HA       HIS -15  17.181  12.880  -9.366
   27    HB2  HIS -15           HB2      HIS -15  19.632  13.158  -9.888
   28    HB3  HIS -15           HB1      HIS -15  19.988  12.469  -8.309
   29    HD1  HIS -15           HD1      HIS -15  18.742  11.559 -11.715
   30    HD2  HIS -15           HD2      HIS -15  19.668   9.685  -8.125
   31    HE1  HIS -15           HE1      HIS -15  18.790   9.104 -12.232
   32    HE2  HIS -15           HE2      HIS -15  19.135   7.987 -10.004
   33    H    HIS -14           HN       HIS -14  15.640  12.921  -7.524
   34    HA   HIS -14           HA       HIS -14  16.377  11.876  -4.987
   35    HB2  HIS -14           HB2      HIS -14  14.305  13.298  -5.636
   36    HB3  HIS -14           HB1      HIS -14  13.581  11.759  -6.090
   37    HD1  HIS -14           HD1      HIS -14  12.933  10.144  -4.177
   38    HD2  HIS -14           HD2      HIS -14  14.644  13.703  -2.892
   39    HE1  HIS -14           HE1      HIS -14  12.517  10.236  -1.700
   40    HE2  HIS -14           HE2      HIS -14  13.364  12.506  -0.998
   41    H    HIS -13           HN       HIS -13  16.425   9.832  -4.244
   42    HA   HIS -13           HA       HIS -13  16.445   7.743  -6.236
   43    HB2  HIS -13           HB2      HIS -13  17.112   7.741  -3.291
   44    HB3  HIS -13           HB1      HIS -13  17.207   6.310  -4.306
   45    HD1  HIS -13           HD1      HIS -13  19.510   5.869  -5.082
   46    HD2  HIS -13           HD2      HIS -13  18.810   9.936  -4.579
   47    HE1  HIS -13           HE1      HIS -13  21.677   7.004  -5.657
   48    HE2  HIS -13           HE2      HIS -13  21.260   9.459  -5.258
   49    H    HIS -12           HN       HIS -12  14.981   6.189  -6.539
   50    HA   HIS -12           HA       HIS -12  12.547   6.280  -4.911
   51    HB2  HIS -12           HB2      HIS -12  13.107   5.003  -7.596
   52    HB3  HIS -12           HB1      HIS -12  11.580   4.854  -6.739
   53    HD1  HIS -12           HD1      HIS -12   9.884   6.616  -7.188
   54    HD2  HIS -12           HD2      HIS -12  13.703   7.782  -8.345
   55    HE1  HIS -12           HE1      HIS -12   9.586   8.794  -8.405
   56    HE2  HIS -12           HE2      HIS -12  11.898   9.446  -9.159
   57    H    HIS -11           HN       HIS -11  13.095   5.103  -3.103
   58    HA   HIS -11           HA       HIS -11  14.323   2.486  -3.413
   59    HB2  HIS -11           HB2      HIS -11  14.934   4.122  -1.562
   60    HB3  HIS -11           HB1      HIS -11  13.366   3.770  -0.849
   61    HD1  HIS -11           HD1      HIS -11  13.249   1.776   0.663
   62    HD2  HIS -11           HD2      HIS -11  16.670   1.773  -1.692
   63    HE1  HIS -11           HE1      HIS -11  14.662  -0.111   1.531
   64    HE2  HIS -11           HE2      HIS -11  16.787  -0.004   0.180
   65    H    SER -10           HN       SER -10  12.093   2.285  -4.728
   66    HA   SER -10           HA       SER -10   9.874   1.488  -3.065
   67    HB2  SER -10           HB2      SER -10  10.235   1.236  -6.059
   68    HB3  SER -10           HB1      SER -10   8.719   1.073  -5.172
   69    HG   SER -10           HG       SER -10   8.941   3.264  -4.531
   70    H    SER  -9           HN       SER  -9  11.175  -0.128  -1.926
   71    HA   SER  -9           HA       SER  -9  11.907  -2.532  -3.353
   72    HB2  SER  -9           HB2      SER  -9  11.799  -2.095  -0.360
   73    HB3  SER  -9           HB1      SER  -9  12.749  -3.297  -1.237
   74    HG   SER  -9           HG       SER  -9  13.649  -1.239  -2.291
   75    H    GLY  -8           HN       GLY  -8   9.023  -1.422  -2.857
   76    HA2  GLY  -8           HA2      GLY  -8   7.094  -2.904  -3.022
   77    HA3  GLY  -8           HA1      GLY  -8   7.884  -3.952  -1.847
   78    H    LEU  -7           HN       LEU  -7   8.651  -1.045  -0.793
   79    HA   LEU  -7           HA       LEU  -7   6.214  -0.083   0.311
   80    HB2  LEU  -7           HB2      LEU  -7   7.198  -0.426   2.723
   81    HB3  LEU  -7           HB1      LEU  -7   6.203  -1.654   1.959
   82    HG   LEU  -7           HG       LEU  -7   8.372  -2.795   1.279
   83   HD11  LEU  -7          HD11      LEU  -7   9.866  -0.879   1.579
   84   HD12  LEU  -7          HD12      LEU  -7  10.370  -2.261   2.552
   85   HD13  LEU  -7          HD13      LEU  -7   9.541  -0.903   3.313
   86   HD21  LEU  -7          HD21      LEU  -7   8.693  -3.790   3.497
   87   HD22  LEU  -7          HD22      LEU  -7   6.987  -3.615   3.086
   88   HD23  LEU  -7          HD23      LEU  -7   7.743  -2.486   4.210
   89    H    GLU  -6           HN       GLU  -6   6.445   1.948   1.273
   90    HA   GLU  -6           HA       GLU  -6   9.125   3.102   1.436
   91    HB2  GLU  -6           HB2      GLU  -6   6.912   4.177  -0.311
   92    HB3  GLU  -6           HB1      GLU  -6   8.310   5.124   0.168
   93    HG2  GLU  -6           HG2      GLU  -6   9.774   3.515  -0.958
   94    HG3  GLU  -6           HG1      GLU  -6   8.356   2.591  -1.455
   95    H    VAL  -5           HN       VAL  -5   5.712   4.091   1.536
   96    HA   VAL  -5           HA       VAL  -5   5.947   6.201   3.302
   97    HB   VAL  -5           HB       VAL  -5   3.908   5.950   2.077
   98   HG11  VAL  -5          HG11      VAL  -5   3.968   3.502   1.901
   99   HG12  VAL  -5          HG12      VAL  -5   2.377   4.120   2.346
  100   HG13  VAL  -5          HG13      VAL  -5   3.417   3.391   3.571
  101   HG21  VAL  -5          HG21      VAL  -5   2.194   6.091   3.811
  102   HG22  VAL  -5          HG22      VAL  -5   3.625   7.038   4.219
  103   HG23  VAL  -5          HG23      VAL  -5   3.347   5.478   4.995
  104    H    LEU  -4           HN       LEU  -4   7.041   6.014   5.172
  105    HA   LEU  -4           HA       LEU  -4   5.940   4.132   7.144
  106    HB2  LEU  -4           HB2      LEU  -4   8.286   4.141   8.148
  107    HB3  LEU  -4           HB1      LEU  -4   8.025   3.199   6.696
  108    HG   LEU  -4           HG       LEU  -4   8.972   5.212   5.420
  109   HD11  LEU  -4          HD11      LEU  -4   9.954   5.901   8.183
  110   HD12  LEU  -4          HD12      LEU  -4   8.830   6.851   7.211
  111   HD13  LEU  -4          HD13      LEU  -4  10.498   6.641   6.677
  112   HD21  LEU  -4          HD21      LEU  -4  10.166   3.117   5.690
  113   HD22  LEU  -4          HD22      LEU  -4  10.745   3.631   7.274
  114   HD23  LEU  -4          HD23      LEU  -4  11.273   4.483   5.824
  115    H    PHE  -3           HN       PHE  -3   5.919   7.188   6.339
  116    HA   PHE  -3           HA       PHE  -3   6.656   8.375   8.876
  117    HB2  PHE  -3           HB2      PHE  -3   5.997  10.515   7.778
  118    HB3  PHE  -3           HB1      PHE  -3   7.241   9.628   6.910
  119    HD1  PHE  -3           HD1      PHE  -3   6.745   8.569   4.762
  120    HD2  PHE  -3           HD2      PHE  -3   3.806  10.837   6.842
  121    HE1  PHE  -3           HE1      PHE  -3   5.380   8.673   2.717
  122    HE2  PHE  -3           HE2      PHE  -3   2.439  10.943   4.802
  123    HZ   PHE  -3           HZ       PHE  -3   3.256   9.886   2.718
  124    H    GLN  -2           HN       GLN  -2   3.878   7.032   7.464
  125    HA   GLN  -2           HA       GLN  -2   2.276   7.798   9.740
  126    HB2  GLN  -2           HB2      GLN  -2   1.954   9.682   8.126
  127    HB3  GLN  -2           HB1      GLN  -2   1.327   8.526   6.955
  128    HG2  GLN  -2           HG2      GLN  -2  -0.466   7.948   8.562
  129    HG3  GLN  -2           HG1      GLN  -2   0.129   9.213   9.632
  130   HE21  GLN  -2          HE21      GLN  -2   0.783  10.981   7.370
  131   HE22  GLN  -2          HE22      GLN  -2  -0.731  11.607   6.823
  132    H    GLY  -1           HN       GLY  -1   2.203   5.571  10.176
  133    HA2  GLY  -1           HA2      GLY  -1   0.092   4.098   9.670
  134    HA3  GLY  -1           HA1      GLY  -1   0.945   3.858   8.154
  135    HA   PRO   0           HA       PRO   0   2.865   1.168  11.598
  136    HB2  PRO   0           HB2      PRO   0   1.017  -0.235  12.887
  137    HB3  PRO   0           HB1      PRO   0   1.289   1.460  13.300
  138    HG2  PRO   0           HG2      PRO   0  -0.885   0.239  11.649
  139    HG3  PRO   0           HG1      PRO   0  -0.987   1.537  12.852
  140    HD2  PRO   0           HD2      PRO   0  -0.826   1.887  10.088
  141    HD3  PRO   0           HD1      PRO   0  -0.494   3.130  11.309
  142    H    ARG   1           HN       ARG   1   1.601  -1.486  12.056
  143    HA   ARG   1           HA       ARG   1   1.429  -2.560   9.331
  144    HB2  ARG   1           HB2      ARG   1   3.737  -2.881  10.173
  145    HB3  ARG   1           HB1      ARG   1   3.097  -3.740  11.564
  146    HG2  ARG   1           HG2      ARG   1   2.158  -5.439  10.032
  147    HG3  ARG   1           HG1      ARG   1   2.929  -4.600   8.685
  148    HD2  ARG   1           HD2      ARG   1   4.374  -5.744  11.072
  149    HD3  ARG   1           HD1      ARG   1   4.231  -6.533   9.504
  150    HE   ARG   1           HE       ARG   1   5.313  -4.020   9.040
  151   HH11  ARG   1          HH11      ARG   1   6.188  -6.939  10.760
  152   HH12  ARG   1          HH12      ARG   1   7.893  -6.701  10.552
  153   HH21  ARG   1          HH21      ARG   1   7.552  -3.712   8.753
  154   HH22  ARG   1          HH22      ARG   1   8.670  -4.867   9.406
  155    H    ARG   2           HN       ARG   2   0.252  -4.526   9.166
  156    HA   ARG   2           HA       ARG   2  -1.511  -5.063  11.468
  157    HB2  ARG   2           HB2      ARG   2  -2.148  -5.109   8.507
  158    HB3  ARG   2           HB1      ARG   2  -3.197  -5.744   9.728
  159    HG2  ARG   2           HG2      ARG   2  -2.309  -2.945   9.845
  160    HG3  ARG   2           HG1      ARG   2  -3.666  -3.420   8.844
  161    HD2  ARG   2           HD2      ARG   2  -4.684  -4.431  10.905
  162    HD3  ARG   2           HD1      ARG   2  -3.383  -3.681  11.833
  163    HE   ARG   2           HE       ARG   2  -4.370  -1.586  10.503
  164   HH11  ARG   2          HH11      ARG   2  -5.935  -4.097  12.368
  165   HH12  ARG   2          HH12      ARG   2  -7.288  -3.106  12.807
  166   HH21  ARG   2          HH21      ARG   2  -6.152  -0.276  11.074
  167   HH22  ARG   2          HH22      ARG   2  -7.410  -0.928  12.072
  168    H    ALA   3           HN       ALA   3   0.699  -6.329   9.227
  169    HA   ALA   3           HA       ALA   3   1.720  -8.339   8.996
  170    HB1  ALA   3           HB1      ALA   3   1.431 -10.086  10.652
  171    HB2  ALA   3           HB2      ALA   3   0.037  -9.240  11.324
  172    HB3  ALA   3           HB3      ALA   3   1.640  -8.514  11.421
  173    H    GLY   4           HN       GLY   4  -0.733 -10.418  10.089
  174    HA2  GLY   4           HA2      GLY   4  -1.080 -11.424   7.396
  175    HA3  GLY   4           HA1      GLY   4  -1.694 -12.136   8.876
  176    H    THR   5           HN       THR   5  -2.237  -9.123   6.998
  177    HA   THR   5           HA       THR   5  -5.109  -9.461   7.565
  178    HB   THR   5           HB       THR   5  -3.705  -6.792   7.274
  179    HG1  THR   5           HG1      THR   5  -3.321  -8.532   9.191
  180   HG21  THR   5          HG21      THR   5  -5.658  -6.018   8.642
  181   HG22  THR   5          HG22      THR   5  -6.351  -7.628   8.513
  182   HG23  THR   5          HG23      THR   5  -6.131  -6.647   7.065
  183    H    CYS   6           HN       CYS   6  -6.354  -7.822   5.982
  184    HA   CYS   6           HA       CYS   6  -5.289  -8.238   3.270
  185    HB2  CYS   6           HB2      CYS   6  -7.926  -7.995   2.817
  186    HB3  CYS   6           HB1      CYS   6  -7.161  -9.522   3.177
  187    HG   CYS   6           HG       CYS   6  -9.734  -8.781   4.533
  188    H    CYS   7           HN       CYS   7  -5.830  -6.658   1.664
  189    HA   CYS   7           HA       CYS   7  -5.722  -4.025   2.832
  190    HB2  CYS   7           HB2      CYS   7  -4.166  -4.661   1.022
  191    HB3  CYS   7           HB1      CYS   7  -5.504  -4.789  -0.066
  192    H    ALA   8           HN       ALA   8  -7.398  -2.765   3.143
  193    HA   ALA   8           HA       ALA   8 -10.022  -3.388   2.775
  194    HB1  ALA   8           HB1      ALA   8  -9.155  -1.574   4.225
  195    HB2  ALA   8           HB2      ALA   8 -10.550  -1.102   3.264
  196    HB3  ALA   8           HB3      ALA   8  -8.934  -0.588   2.781
  197    H    ASN   9           HN       ASN   9  -7.960  -2.687   0.297
  198    HA   ASN   9           HA       ASN   9 -10.104  -1.473  -1.293
  199    HB2  ASN   9           HB2      ASN   9  -8.577   0.273  -0.497
  200    HB3  ASN   9           HB1      ASN   9  -7.217  -0.610  -1.271
  201   HD21  ASN   9          HD21      ASN   9  -6.760  -0.169  -3.294
  202   HD22  ASN   9          HD22      ASN   9  -7.747   0.689  -4.398
  203    H    CYS  10           HN       CYS  10  -6.992  -3.252  -1.435
  204    HA   CYS  10           HA       CYS  10  -7.941  -4.192  -4.071
  205    HB2  CYS  10           HB2      CYS  10  -5.685  -4.377  -4.853
  206    HB3  CYS  10           HB1      CYS  10  -5.865  -2.764  -4.132
  207    H    GLN  11           HN       GLN  11  -7.789  -5.110  -1.026
  208    HA   GLN  11           HA       GLN  11  -7.745  -7.017   0.184
  209    HB2  GLN  11           HB2      GLN  11  -9.568  -7.352  -1.736
  210    HB3  GLN  11           HB1      GLN  11  -8.472  -8.643  -2.205
  211    HG2  GLN  11           HG2      GLN  11  -8.696  -9.711  -0.100
  212    HG3  GLN  11           HG1      GLN  11  -9.565  -8.328   0.568
  213   HE21  GLN  11          HE21      GLN  11  -9.756 -11.106  -1.512
  214   HE22  GLN  11          HE22      GLN  11 -11.480 -11.132  -1.646
  215    H    THR  12           HN       THR  12  -5.225  -6.657  -1.862
  216    HA   THR  12           HA       THR  12  -4.048  -9.168  -1.876
  217    HB   THR  12           HB       THR  12  -3.072  -7.044  -2.932
  218    HG1  THR  12           HG1      THR  12  -1.810  -8.823  -3.055
  219   HG21  THR  12          HG21      THR  12  -1.877  -6.739  -0.158
  220   HG22  THR  12          HG22      THR  12  -3.105  -5.672  -0.846
  221   HG23  THR  12          HG23      THR  12  -1.499  -5.759  -1.575
  222    H    THR  13           HN       THR  13  -2.617 -10.141  -0.468
  223    HA   THR  13           HA       THR  13  -2.694  -9.238   2.322
  224    HB   THR  13           HB       THR  13  -2.746 -11.721   2.937
  225    HG1  THR  13           HG1      THR  13  -3.824 -11.927   0.299
  226   HG21  THR  13          HG21      THR  13  -4.635 -10.193   3.273
  227   HG22  THR  13          HG22      THR  13  -5.181 -11.813   2.827
  228   HG23  THR  13          HG23      THR  13  -5.185 -10.518   1.627
  229    H    THR  14           HN       THR  14  -0.811  -9.530  -0.163
  230    HA   THR  14           HA       THR  14   1.433 -10.667   1.350
  231    HB   THR  14           HB       THR  14   1.085 -11.785  -0.832
  232    HG1  THR  14           HG1      THR  14   3.502 -10.503  -1.268
  233   HG21  THR  14          HG21      THR  14   0.323 -10.240  -2.408
  234   HG22  THR  14          HG22      THR  14   2.010 -10.449  -2.861
  235   HG23  THR  14          HG23      THR  14   1.519  -9.030  -1.940
  236    H    THR  15           HN       THR  15   1.293  -8.684   2.544
  237    HA   THR  15           HA       THR  15   2.910  -6.570   1.357
  238    HB   THR  15           HB       THR  15   0.343  -5.729   2.729
  239    HG1  THR  15           HG1      THR  15   0.747  -6.678   0.162
  240   HG21  THR  15          HG21      THR  15   0.845  -3.610   1.730
  241   HG22  THR  15          HG22      THR  15   2.183  -4.301   0.817
  242   HG23  THR  15          HG23      THR  15   2.284  -4.177   2.570
  243    H    THR  16           HN       THR  16   4.133  -5.454   2.870
  244    HA   THR  16           HA       THR  16   4.008  -6.526   5.618
  245    HB   THR  16           HB       THR  16   6.379  -5.113   4.402
  246    HG1  THR  16           HG1      THR  16   5.710  -7.888   4.216
  247   HG21  THR  16          HG21      THR  16   6.135  -7.245   6.534
  248   HG22  THR  16          HG22      THR  16   6.393  -5.525   6.828
  249   HG23  THR  16          HG23      THR  16   7.631  -6.475   6.005
  250    H    LEU  17           HN       LEU  17   2.862  -3.934   4.055
  251    HA   LEU  17           HA       LEU  17   3.737  -1.973   6.136
  252    HB2  LEU  17           HB2      LEU  17   4.887  -1.808   3.795
  253    HB3  LEU  17           HB1      LEU  17   3.349  -1.162   3.265
  254    HG   LEU  17           HG       LEU  17   3.582   0.609   5.025
  255   HD11  LEU  17          HD11      LEU  17   5.837   0.983   5.935
  256   HD12  LEU  17          HD12      LEU  17   6.362  -0.541   5.217
  257   HD13  LEU  17          HD13      LEU  17   5.144  -0.542   6.491
  258   HD21  LEU  17          HD21      LEU  17   5.456   1.799   3.780
  259   HD22  LEU  17          HD22      LEU  17   4.060   1.275   2.842
  260   HD23  LEU  17          HD23      LEU  17   5.552   0.346   2.786
  261    H    TRP  18           HN       TRP  18   1.612  -2.672   6.955
  262    HA   TRP  18           HA       TRP  18  -0.700  -2.043   5.432
  263    HB2  TRP  18           HB2      TRP  18  -0.465  -3.122   8.214
  264    HB3  TRP  18           HB1      TRP  18  -1.955  -2.942   7.372
  265    HD1  TRP  18           HD1      TRP  18   0.970  -5.270   7.639
  266    HE1  TRP  18           HE1      TRP  18   0.553  -7.296   6.173
  267    HE3  TRP  18           HE3      TRP  18  -3.108  -3.632   5.030
  268    HZ2  TRP  18           HZ2      TRP  18  -1.223  -8.152   4.205
  269    HZ3  TRP  18           HZ3      TRP  18  -4.159  -5.140   3.382
  270    HH2  TRP  18           HH2      TRP  18  -3.231  -7.334   2.948
  271    H    ARG  19           HN       ARG  19  -0.952   0.065   5.141
  272    HA   ARG  19           HA       ARG  19  -0.822   2.021   7.329
  273    HB2  ARG  19           HB2      ARG  19  -2.108   3.095   4.983
  274    HB3  ARG  19           HB1      ARG  19  -0.537   3.484   5.633
  275    HG2  ARG  19           HG2      ARG  19  -0.528   1.002   4.120
  276    HG3  ARG  19           HG1      ARG  19  -1.018   2.373   3.163
  277    HD2  ARG  19           HD2      ARG  19   1.324   2.208   2.969
  278    HD3  ARG  19           HD1      ARG  19   1.025   3.581   4.041
  279    HE   ARG  19           HE       ARG  19   1.876   0.874   4.895
  280   HH11  ARG  19          HH11      ARG  19   1.641   4.309   5.489
  281   HH12  ARG  19          HH12      ARG  19   2.528   4.241   6.971
  282   HH21  ARG  19          HH21      ARG  19   3.028   0.784   6.870
  283   HH22  ARG  19          HH22      ARG  19   3.311   2.239   7.766
  284    H    ARG  20           HN       ARG  20  -2.775   3.525   7.596
  285    HA   ARG  20           HA       ARG  20  -5.256   2.003   7.456
  286    HB2  ARG  20           HB2      ARG  20  -4.258   4.210   9.218
  287    HB3  ARG  20           HB1      ARG  20  -5.974   4.111   8.941
  288    HG2  ARG  20           HG2      ARG  20  -6.100   1.962   9.907
  289    HG3  ARG  20           HG1      ARG  20  -4.332   1.815   9.983
  290    HD2  ARG  20           HD2      ARG  20  -4.279   3.701  11.546
  291    HD3  ARG  20           HD1      ARG  20  -6.033   3.795  11.454
  292    HE   ARG  20           HE       ARG  20  -4.676   1.376  12.446
  293   HH11  ARG  20          HH11      ARG  20  -6.976   3.978  12.900
  294   HH12  ARG  20          HH12      ARG  20  -7.676   3.285  14.324
  295   HH21  ARG  20          HH21      ARG  20  -5.588   0.467  14.334
  296   HH22  ARG  20          HH22      ARG  20  -6.890   1.284  15.136
  297    H    ASN  21           HN       ASN  21  -7.117   2.905   6.642
  298    HA   ASN  21           HA       ASN  21  -6.600   4.974   4.622
  299    HB2  ASN  21           HB2      ASN  21  -8.407   4.206   3.307
  300    HB3  ASN  21           HB1      ASN  21  -7.658   2.710   3.929
  301   HD21  ASN  21          HD21      ASN  21  -9.928   2.094   3.082
  302   HD22  ASN  21          HD22      ASN  21 -11.196   2.117   4.245
  303    H    ALA  22           HN       ALA  22  -9.278   6.019   4.266
  304    HA   ALA  22           HA       ALA  22  -9.076   8.107   6.095
  305    HB1  ALA  22           HB1      ALA  22 -11.503   7.322   4.502
  306    HB2  ALA  22           HB2      ALA  22 -10.150   8.280   3.904
  307    HB3  ALA  22           HB3      ALA  22 -11.170   8.908   5.197
  308    H    ASN  23           HN       ASN  23 -10.737   5.076   6.501
  309    HA   ASN  23           HA       ASN  23 -12.244   6.163   8.767
  310    HB2  ASN  23           HB2      ASN  23 -13.427   4.904   6.871
  311    HB3  ASN  23           HB1      ASN  23 -12.660   3.481   7.535
  312   HD21  ASN  23          HD21      ASN  23 -14.952   5.998   8.114
  313   HD22  ASN  23          HD22      ASN  23 -15.775   5.204   9.399
  314    H    GLY  24           HN       GLY  24  -9.454   4.821   8.002
  315    HA2  GLY  24           HA2      GLY  24  -7.764   4.203   9.417
  316    HA3  GLY  24           HA1      GLY  24  -8.942   3.942  10.700
  317    H    ASP  25           HN       ASP  25  -9.337   2.646   7.530
  318    HA   ASP  25           HA       ASP  25  -9.309  -0.038   8.606
  319    HB2  ASP  25           HB2      ASP  25  -9.730   0.893   5.777
  320    HB3  ASP  25           HB1      ASP  25 -10.057  -0.705   6.371
  321    HA   PRO  26           HA       PRO  26  -5.282  -1.060   7.247
  322    HB2  PRO  26           HB2      PRO  26  -5.597  -3.697   6.531
  323    HB3  PRO  26           HB1      PRO  26  -5.572  -3.113   8.224
  324    HG2  PRO  26           HG2      PRO  26  -7.857  -3.962   6.517
  325    HG3  PRO  26           HG1      PRO  26  -7.655  -4.066   8.286
  326    HD2  PRO  26           HD2      PRO  26  -9.185  -2.134   6.966
  327    HD3  PRO  26           HD1      PRO  26  -8.611  -2.027   8.604
  328    H    VAL  27           HN       VAL  27  -4.068  -0.737   5.467
  329    HA   VAL  27           HA       VAL  27  -5.037  -1.791   2.889
  330    HB   VAL  27           HB       VAL  27  -4.134   0.366   1.735
  331   HG11  VAL  27          HG11      VAL  27  -6.412  -0.442   1.477
  332   HG12  VAL  27          HG12      VAL  27  -6.350   1.321   1.579
  333   HG13  VAL  27          HG13      VAL  27  -6.872   0.375   2.975
  334   HG21  VAL  27          HG21      VAL  27  -5.024   1.521   4.363
  335   HG22  VAL  27          HG22      VAL  27  -4.781   2.442   2.875
  336   HG23  VAL  27          HG23      VAL  27  -3.432   1.621   3.631
  337    H    CYS  28           HN       CYS  28  -3.380  -2.086   1.367
  338    HA   CYS  28           HA       CYS  28  -0.874  -2.811   2.496
  339    HB2  CYS  28           HB2      CYS  28  -0.572  -3.832   0.352
  340    HB3  CYS  28           HB1      CYS  28  -2.302  -3.805   0.574
  341    H    ASN  29           HN       ASN  29   1.254  -1.925   1.175
  342    HA   ASN  29           HA       ASN  29   1.640   0.650   1.984
  343    HB2  ASN  29           HB2      ASN  29   3.696  -0.339   1.601
  344    HB3  ASN  29           HB1      ASN  29   3.098  -1.276   0.231
  345   HD21  ASN  29          HD21      ASN  29   3.131   2.296   0.623
  346   HD22  ASN  29          HD22      ASN  29   4.215   2.556  -0.690
  347    H    ALA  30           HN       ALA  30   1.023  -0.298  -1.411
  348    HA   ALA  30           HA       ALA  30   1.203   2.290  -2.421
  349    HB1  ALA  30           HB1      ALA  30   1.258   0.403  -3.894
  350    HB2  ALA  30           HB2      ALA  30  -0.002   1.545  -4.371
  351    HB3  ALA  30           HB3      ALA  30  -0.434   0.049  -3.541
  352    H    CYS  31           HN       CYS  31  -1.746   0.549  -1.451
  353    HA   CYS  31           HA       CYS  31  -3.547   2.518  -2.289
  354    HB2  CYS  31           HB2      CYS  31  -3.860   0.419  -0.215
  355    HB3  CYS  31           HB1      CYS  31  -5.160   1.393  -0.812
  356    H    GLY  32           HN       GLY  32  -1.990   2.088   0.871
  357    HA2  GLY  32           HA2      GLY  32  -3.334   4.457   1.907
  358    HA3  GLY  32           HA1      GLY  32  -2.023   3.588   2.710
  359    H    LEU  33           HN       LEU  33  -0.132   3.706   0.545
  360    HA   LEU  33           HA       LEU  33   1.139   6.138   1.175
  361    HB2  LEU  33           HB2      LEU  33   2.315   4.154   0.241
  362    HB3  LEU  33           HB1      LEU  33   1.593   4.494  -1.306
  363    HG   LEU  33           HG       LEU  33   3.044   6.759  -0.283
  364   HD11  LEU  33          HD11      LEU  33   4.434   4.932   0.668
  365   HD12  LEU  33          HD12      LEU  33   5.258   5.862  -0.577
  366   HD13  LEU  33          HD13      LEU  33   4.601   4.273  -0.954
  367   HD21  LEU  33          HD21      LEU  33   3.986   6.640  -2.545
  368   HD22  LEU  33          HD22      LEU  33   2.223   6.538  -2.560
  369   HD23  LEU  33          HD23      LEU  33   3.196   5.080  -2.770
  370    H    TYR  34           HN       TYR  34  -0.927   5.186  -1.578
  371    HA   TYR  34           HA       TYR  34  -0.395   7.491  -2.997
  372    HB2  TYR  34           HB2      TYR  34  -1.410   5.497  -4.018
  373    HB3  TYR  34           HB1      TYR  34  -2.882   5.780  -3.094
  374    HD1  TYR  34           HD1      TYR  34  -4.252   7.729  -3.578
  375    HD2  TYR  34           HD2      TYR  34  -0.971   6.657  -6.058
  376    HE1  TYR  34           HE1      TYR  34  -5.152   9.147  -5.359
  377    HE2  TYR  34           HE2      TYR  34  -1.862   8.100  -7.855
  378    HH   TYR  34           HH       TYR  34  -4.016   9.033  -8.567
  379    H    TYR  35           HN       TYR  35  -3.096   6.699  -0.875
  380    HA   TYR  35           HA       TYR  35  -4.371   9.187  -0.995
  381    HB2  TYR  35           HB2      TYR  35  -5.379   7.098  -0.035
  382    HB3  TYR  35           HB1      TYR  35  -4.340   7.308   1.363
  383    HD1  TYR  35           HD1      TYR  35  -7.447   8.252  -0.158
  384    HD2  TYR  35           HD2      TYR  35  -4.566   9.367   2.749
  385    HE1  TYR  35           HE1      TYR  35  -9.099   9.703   0.909
  386    HE2  TYR  35           HE2      TYR  35  -6.189  10.813   3.822
  387    HH   TYR  35           HH       TYR  35  -8.287  12.051   3.180
  388    H    LYS  36           HN       LYS  36  -1.499   8.157   0.640
  389    HA   LYS  36           HA       LYS  36  -1.527  10.239   2.586
  390    HB2  LYS  36           HB2      LYS  36   0.368   8.139   1.726
  391    HB3  LYS  36           HB1      LYS  36   1.090   9.601   2.384
  392    HG2  LYS  36           HG2      LYS  36   0.669   7.846   4.066
  393    HG3  LYS  36           HG1      LYS  36  -0.066   9.393   4.413
  394    HD2  LYS  36           HD2      LYS  36  -2.218   8.548   3.590
  395    HD3  LYS  36           HD1      LYS  36  -1.470   6.975   3.306
  396    HE2  LYS  36           HE2      LYS  36  -1.063   6.667   5.638
  397    HE3  LYS  36           HE1      LYS  36  -1.529   8.328   5.997
  398    HZ1  LYS  36           HZ1      LYS  36  -3.787   7.799   5.322
  399    HZ2  LYS  36           HZ2      LYS  36  -3.283   6.781   6.571
  400    HZ3  LYS  36           HZ3      LYS  36  -3.342   6.202   4.985
  401    H    LEU  37           HN       LEU  37  -0.199   9.748  -0.573
  402    HA   LEU  37           HA       LEU  37   1.242  12.195  -0.633
  403    HB2  LEU  37           HB2      LEU  37   0.332  10.595  -3.018
  404    HB3  LEU  37           HB1      LEU  37   1.700  11.701  -2.921
  405    HG   LEU  37           HG       LEU  37   1.540   9.115  -1.377
  406   HD11  LEU  37          HD11      LEU  37   2.652   9.695  -4.111
  407   HD12  LEU  37          HD12      LEU  37   1.474   8.465  -3.642
  408   HD13  LEU  37          HD13      LEU  37   3.152   8.316  -3.136
  409   HD21  LEU  37          HD21      LEU  37   3.808  10.977  -2.058
  410   HD22  LEU  37          HD22      LEU  37   3.988   9.401  -1.292
  411   HD23  LEU  37          HD23      LEU  37   3.116  10.691  -0.460
  412    H    HIS  38           HN       HIS  38  -1.975  11.148  -1.630
  413    HA   HIS  38           HA       HIS  38  -2.360  13.737  -2.989
  414    HB2  HIS  38           HB2      HIS  38  -3.242  10.981  -3.800
  415    HB3  HIS  38           HB1      HIS  38  -3.859  12.441  -4.558
  416    HD1  HIS  38           HD1      HIS  38  -1.393  14.066  -5.073
  417    HD2  HIS  38           HD2      HIS  38  -1.466   9.932  -5.519
  418    HE1  HIS  38           HE1      HIS  38   0.549  13.506  -6.574
  419    HE2  HIS  38           HE2      HIS  38   0.449  11.007  -6.880
  420    H    ASN  39           HN       ASN  39  -3.501  11.893  -0.466
  421    HA   ASN  39           HA       ASN  39  -5.335  11.992   0.913
  422    HB2  ASN  39           HB2      ASN  39  -4.760  14.518   0.310
  423    HB3  ASN  39           HB1      ASN  39  -6.352  14.433  -0.393
  424   HD21  ASN  39          HD21      ASN  39  -5.389  12.706   2.628
  425   HD22  ASN  39          HD22      ASN  39  -6.465  13.615   3.625
  426    H    VAL  40           HN       VAL  40  -5.695  10.504  -1.465
  427    HA   VAL  40           HA       VAL  40  -8.574  10.609  -1.680
  428    HB   VAL  40           HB       VAL  40  -8.378  10.415  -4.258
  429   HG11  VAL  40          HG11      VAL  40  -8.671  12.815  -4.513
  430   HG12  VAL  40          HG12      VAL  40  -8.059  13.058  -2.878
  431   HG13  VAL  40          HG13      VAL  40  -9.572  12.190  -3.134
  432   HG21  VAL  40          HG21      VAL  40  -5.878  10.471  -4.203
  433   HG22  VAL  40          HG22      VAL  40  -5.988  12.176  -3.753
  434   HG23  VAL  40          HG23      VAL  40  -6.627  11.614  -5.310
  435    H    ASN  41           HN       ASN  41  -9.388   8.884  -3.154
  436    HA   ASN  41           HA       ASN  41  -8.500   6.408  -2.263
  437    HB2  ASN  41           HB2      ASN  41 -10.374   7.305  -4.385
  438    HB3  ASN  41           HB1      ASN  41  -9.841   5.642  -4.427
  439   HD21  ASN  41          HD21      ASN  41 -11.694   8.005  -2.745
  440   HD22  ASN  41          HD22      ASN  41 -12.479   6.931  -1.645
  441    H    ARG  42           HN       ARG  42  -7.849   4.581  -3.809
  442    HA   ARG  42           HA       ARG  42  -5.353   5.582  -5.007
  443    HB2  ARG  42           HB2      ARG  42  -4.688   3.058  -4.445
  444    HB3  ARG  42           HB1      ARG  42  -4.624   4.324  -3.226
  445    HG2  ARG  42           HG2      ARG  42  -7.083   2.659  -3.565
  446    HG3  ARG  42           HG1      ARG  42  -5.712   2.073  -2.631
  447    HD2  ARG  42           HD2      ARG  42  -5.957   3.711  -1.001
  448    HD3  ARG  42           HD1      ARG  42  -6.853   4.784  -2.075
  449    HE   ARG  42           HE       ARG  42  -8.316   2.403  -1.616
  450   HH11  ARG  42          HH11      ARG  42  -7.382   5.390  -0.059
  451   HH12  ARG  42          HH12      ARG  42  -8.783   5.451   0.964
  452   HH21  ARG  42          HH21      ARG  42 -10.172   2.471  -0.261
  453   HH22  ARG  42          HH22      ARG  42 -10.368   3.793   0.845
  454    HA   PRO  43           HA       PRO  43  -7.301   3.779  -8.764
  455    HB2  PRO  43           HB2      PRO  43  -5.100   5.408  -9.915
  456    HB3  PRO  43           HB1      PRO  43  -6.803   5.332 -10.387
  457    HG2  PRO  43           HG2      PRO  43  -5.905   7.455  -9.095
  458    HG3  PRO  43           HG1      PRO  43  -7.470   6.739  -8.663
  459    HD2  PRO  43           HD2      PRO  43  -4.815   6.414  -7.290
  460    HD3  PRO  43           HD1      PRO  43  -6.437   6.779  -6.585
  461    H    LEU  44           HN       LEU  44  -6.622   1.813  -9.290
  462    HA   LEU  44           HA       LEU  44  -3.875   1.110  -9.493
  463    HB2  LEU  44           HB2      LEU  44  -4.540   1.555  -6.987
  464    HB3  LEU  44           HB1      LEU  44  -5.181  -0.068  -7.099
  465    HG   LEU  44           HG       LEU  44  -2.977  -0.949  -7.603
  466   HD11  LEU  44          HD11      LEU  44  -2.067   1.923  -7.406
  467   HD12  LEU  44          HD12      LEU  44  -2.047   0.921  -8.857
  468   HD13  LEU  44          HD13      LEU  44  -1.003   0.522  -7.495
  469   HD21  LEU  44          HD21      LEU  44  -3.110   0.920  -5.241
  470   HD22  LEU  44          HD22      LEU  44  -1.895  -0.348  -5.449
  471   HD23  LEU  44          HD23      LEU  44  -3.601  -0.778  -5.296
  472    H    THR  45           HN       THR  45  -6.651  -0.573  -8.118
  473    HA   THR  45           HA       THR  45  -6.750  -2.372 -10.403
  474    HB   THR  45           HB       THR  45  -6.762  -4.332  -8.680
  475    HG1  THR  45           HG1      THR  45  -4.952  -3.330  -7.058
  476   HG21  THR  45          HG21      THR  45  -4.334  -4.599  -8.851
  477   HG22  THR  45          HG22      THR  45  -4.180  -2.908  -9.326
  478   HG23  THR  45          HG23      THR  45  -5.024  -4.045 -10.377
  479    H    MET  46           HN       MET  46  -8.361  -4.350  -8.877
  480    HA   MET  46           HA       MET  46 -10.831  -2.793  -8.631
  481    HB2  MET  46           HB2      MET  46 -10.251  -5.249  -9.776
  482    HB3  MET  46           HB1      MET  46 -10.983  -5.695  -8.243
  483    HG2  MET  46           HG2      MET  46 -12.222  -3.887 -10.308
  484    HG3  MET  46           HG1      MET  46 -12.604  -5.590 -10.074
  485    HE1  MET  46           HE1      MET  46 -15.829  -3.832  -8.774
  486    HE2  MET  46           HE2      MET  46 -15.176  -5.076  -9.838
  487    HE3  MET  46           HE3      MET  46 -14.824  -3.377 -10.150
  488    H    LYS  47           HN       LYS  47 -12.219  -4.458  -6.847
  489    HA   LYS  47           HA       LYS  47 -11.216  -3.661  -4.315
  490    HB2  LYS  47           HB2      LYS  47 -13.337  -5.690  -5.038
  491    HB3  LYS  47           HB1      LYS  47 -13.009  -5.136  -3.403
  492    HG2  LYS  47           HG2      LYS  47 -13.645  -2.881  -4.002
  493    HG3  LYS  47           HG1      LYS  47 -13.888  -3.373  -5.679
  494    HD2  LYS  47           HD2      LYS  47 -16.020  -3.236  -4.531
  495    HD3  LYS  47           HD1      LYS  47 -15.664  -4.911  -4.952
  496    HE2  LYS  47           HE2      LYS  47 -16.560  -4.833  -2.721
  497    HE3  LYS  47           HE1      LYS  47 -14.859  -5.276  -2.639
  498    HZ1  LYS  47           HZ1      LYS  47 -15.369  -3.663  -0.953
  499    HZ2  LYS  47           HZ2      LYS  47 -16.002  -2.592  -2.094
  500    HZ3  LYS  47           HZ3      LYS  47 -14.351  -2.949  -2.098
  501    H    LYS  48           HN       LYS  48 -10.886  -6.501  -6.269
  502    HA   LYS  48           HA       LYS  48  -8.696  -7.375  -4.598
  503    HB2  LYS  48           HB2      LYS  48  -9.505  -9.745  -4.593
  504    HB3  LYS  48           HB1      LYS  48 -10.442  -8.655  -3.585
  505    HG2  LYS  48           HG2      LYS  48 -12.139  -8.520  -5.376
  506    HG3  LYS  48           HG1      LYS  48 -11.211  -9.704  -6.299
  507    HD2  LYS  48           HD2      LYS  48 -11.426 -11.270  -4.372
  508    HD3  LYS  48           HD1      LYS  48 -12.496 -10.100  -3.602
  509    HE2  LYS  48           HE2      LYS  48 -13.824 -11.777  -4.705
  510    HE3  LYS  48           HE1      LYS  48 -13.997 -10.245  -5.560
  511    HZ1  LYS  48           HZ1      LYS  48 -12.395 -11.018  -7.193
  512    HZ2  LYS  48           HZ2      LYS  48 -13.705 -12.075  -7.094
  513    HZ3  LYS  48           HZ3      LYS  48 -12.233 -12.491  -6.374
  514    H    GLU  49           HN       GLU  49  -7.304  -6.914  -6.224
  515    HA   GLU  49           HA       GLU  49  -6.085  -7.139  -8.105
  516    HB2  GLU  49           HB2      GLU  49  -7.571  -9.762  -8.316
  517    HB3  GLU  49           HB1      GLU  49  -6.291  -9.281  -9.418
  518    HG2  GLU  49           HG2      GLU  49  -5.252 -10.681  -7.879
  519    HG3  GLU  49           HG1      GLU  49  -4.822  -9.058  -7.351
  Start of MODEL    9
    1    H1   MET -18           HT1      MET -18  33.515 -13.293  -4.545
    2    H2   MET -18           HT2      MET -18  32.329 -14.135  -3.688
    3    H3   MET -18           HT3      MET -18  33.362 -13.077  -2.876
    4    HA   MET -18           HA       MET -18  32.442 -11.202  -4.016
    5    HB2  MET -18           HB2      MET -18  30.532 -11.442  -5.493
    6    HB3  MET -18           HB1      MET -18  31.869 -12.402  -6.106
    7    HG2  MET -18           HG2      MET -18  30.848 -14.420  -5.188
    8    HG3  MET -18           HG1      MET -18  29.513 -13.458  -4.561
    9    HE1  MET -18           HE1      MET -18  27.785 -12.170  -6.067
   10    HE2  MET -18           HE2      MET -18  27.785 -12.198  -7.829
   11    HE3  MET -18           HE3      MET -18  29.068 -11.358  -6.962
   12    H    ALA -17           HN       ALA -17  30.575 -10.114  -3.206
   13    HA   ALA -17           HA       ALA -17  28.803 -11.601  -1.437
   14    HB1  ALA -17           HB1      ALA -17  29.226 -10.125   0.469
   15    HB2  ALA -17           HB2      ALA -17  30.497  -9.310  -0.439
   16    HB3  ALA -17           HB3      ALA -17  30.684 -11.004   0.010
   17    H    HIS -16           HN       HIS -16  26.849 -10.978  -2.055
   18    HA   HIS -16           HA       HIS -16  26.403  -8.509  -3.445
   19    HB2  HIS -16           HB2      HIS -16  25.183 -10.639  -3.949
   20    HB3  HIS -16           HB1      HIS -16  24.369 -10.493  -2.397
   21    HD1  HIS -16           HD1      HIS -16  24.143  -9.471  -5.892
   22    HD2  HIS -16           HD2      HIS -16  22.608  -8.161  -2.257
   23    HE1  HIS -16           HE1      HIS -16  22.209  -7.971  -6.474
   24    HE2  HIS -16           HE2      HIS -16  21.249  -7.250  -4.258
   25    H    HIS -15           HN       HIS -15  26.292  -6.631  -2.395
   26    HA   HIS -15           HA       HIS -15  25.433  -6.573   0.382
   27    HB2  HIS -15           HB2      HIS -15  27.422  -5.259  -0.483
   28    HB3  HIS -15           HB1      HIS -15  26.275  -4.233  -1.338
   29    HD1  HIS -15           HD1      HIS -15  28.011  -4.548   1.806
   30    HD2  HIS -15           HD2      HIS -15  24.413  -2.892   0.552
   31    HE1  HIS -15           HE1      HIS -15  27.321  -2.974   3.636
   32    HE2  HIS -15           HE2      HIS -15  25.056  -2.128   2.940
   33    H    HIS -14           HN       HIS -14  23.241  -6.983   0.308
   34    HA   HIS -14           HA       HIS -14  21.396  -5.740  -1.380
   35    HB2  HIS -14           HB2      HIS -14  19.712  -6.227   0.460
   36    HB3  HIS -14           HB1      HIS -14  20.605  -7.605  -0.160
   37    HD1  HIS -14           HD1      HIS -14  21.825  -9.004   1.503
   38    HD2  HIS -14           HD2      HIS -14  20.614  -5.364   3.096
   39    HE1  HIS -14           HE1      HIS -14  22.286  -9.160   3.966
   40    HE2  HIS -14           HE2      HIS -14  21.314  -7.049   4.929
   41    H    HIS -13           HN       HIS -13  20.359  -3.835  -1.373
   42    HA   HIS -13           HA       HIS -13  21.677  -1.745   0.117
   43    HB2  HIS -13           HB2      HIS -13  19.522  -1.631  -2.003
   44    HB3  HIS -13           HB1      HIS -13  20.292  -0.219  -1.288
   45    HD1  HIS -13           HD1      HIS -13  20.401  -1.614  -4.347
   46    HD2  HIS -13           HD2      HIS -13  23.411  -1.110  -1.520
   47    HE1  HIS -13           HE1      HIS -13  22.555  -1.656  -5.636
   48    HE2  HIS -13           HE2      HIS -13  24.368  -1.378  -3.909
   49    H    HIS -12           HN       HIS -12  21.027  -1.019   1.985
   50    HA   HIS -12           HA       HIS -12  18.566  -1.912   3.146
   51    HB2  HIS -12           HB2      HIS -12  20.715  -0.057   4.171
   52    HB3  HIS -12           HB1      HIS -12  19.308  -0.531   5.113
   53    HD1  HIS -12           HD1      HIS -12  19.622  -2.536   6.531
   54    HD2  HIS -12           HD2      HIS -12  22.322  -2.432   3.377
   55    HE1  HIS -12           HE1      HIS -12  21.167  -4.481   6.903
   56    HE2  HIS -12           HE2      HIS -12  22.911  -4.268   5.094
   57    H    HIS -11           HN       HIS -11  19.249   0.582   1.073
   58    HA   HIS -11           HA       HIS -11  17.456   2.568   1.970
   59    HB2  HIS -11           HB2      HIS -11  18.445   1.778  -0.764
   60    HB3  HIS -11           HB1      HIS -11  17.234   3.040  -0.569
   61    HD1  HIS -11           HD1      HIS -11  20.758   2.671  -0.899
   62    HD2  HIS -11           HD2      HIS -11  18.281   5.100   1.396
   63    HE1  HIS -11           HE1      HIS -11  22.174   4.630  -0.216
   64    HE2  HIS -11           HE2      HIS -11  20.705   5.991   1.315
   65    H    SER -10           HN       SER -10  17.037  -0.501   0.384
   66    HA   SER -10           HA       SER -10  14.157  -0.103   0.135
   67    HB2  SER -10           HB2      SER -10  15.834  -2.533  -0.542
   68    HB3  SER -10           HB1      SER -10  14.157  -2.253  -1.008
   69    HG   SER -10           HG       SER -10  15.178  -0.218  -1.985
   70    H    SER  -9           HN       SER  -9  14.914   0.096   2.714
   71    HA   SER  -9           HA       SER  -9  14.702  -2.483   4.018
   72    HB2  SER  -9           HB2      SER  -9  16.204  -0.636   4.856
   73    HB3  SER  -9           HB1      SER  -9  14.751   0.260   5.294
   74    HG   SER  -9           HG       SER  -9  14.822  -0.824   7.081
   75    H    GLY  -8           HN       GLY  -8  12.850   0.553   3.893
   76    HA2  GLY  -8           HA2      GLY  -8  10.540  -0.916   4.964
   77    HA3  GLY  -8           HA1      GLY  -8  10.734   0.829   5.000
   78    H    LEU  -7           HN       LEU  -7   8.419  -0.334   4.067
   79    HA   LEU  -7           HA       LEU  -7   8.553  -0.406   1.173
   80    HB2  LEU  -7           HB2      LEU  -7   6.381  -0.877   3.176
   81    HB3  LEU  -7           HB1      LEU  -7   5.992  -0.659   1.486
   82    HG   LEU  -7           HG       LEU  -7   7.484  -2.576   0.939
   83   HD11  LEU  -7          HD11      LEU  -7   8.915  -2.546   2.893
   84   HD12  LEU  -7          HD12      LEU  -7   8.111  -4.108   2.742
   85   HD13  LEU  -7          HD13      LEU  -7   7.543  -2.934   3.929
   86   HD21  LEU  -7          HD21      LEU  -7   5.195  -3.110   2.824
   87   HD22  LEU  -7          HD22      LEU  -7   5.902  -4.283   1.715
   88   HD23  LEU  -7          HD23      LEU  -7   5.083  -2.856   1.084
   89    H    GLU  -6           HN       GLU  -6   9.366   2.026   2.235
   90    HA   GLU  -6           HA       GLU  -6   9.182   4.244   1.812
   91    HB2  GLU  -6           HB2      GLU  -6   8.578   3.177  -0.456
   92    HB3  GLU  -6           HB1      GLU  -6   6.917   3.589  -0.067
   93    HG2  GLU  -6           HG2      GLU  -6   8.174   5.196  -1.547
   94    HG3  GLU  -6           HG1      GLU  -6   7.357   5.892  -0.150
   95    H    VAL  -5           HN       VAL  -5   7.175   6.017   1.476
   96    HA   VAL  -5           HA       VAL  -5   5.758   7.278   2.709
   97    HB   VAL  -5           HB       VAL  -5   4.187   5.898   1.408
   98   HG11  VAL  -5          HG11      VAL  -5   4.691   3.706   2.296
   99   HG12  VAL  -5          HG12      VAL  -5   2.964   4.070   2.361
  100   HG13  VAL  -5          HG13      VAL  -5   3.943   4.156   3.829
  101   HG21  VAL  -5          HG21      VAL  -5   3.290   6.752   4.133
  102   HG22  VAL  -5          HG22      VAL  -5   2.180   6.226   2.872
  103   HG23  VAL  -5          HG23      VAL  -5   3.192   7.649   2.615
  104    H    LEU  -4           HN       LEU  -4   7.820   6.160   4.248
  105    HA   LEU  -4           HA       LEU  -4   6.723   5.202   6.736
  106    HB2  LEU  -4           HB2      LEU  -4   9.538   6.079   6.085
  107    HB3  LEU  -4           HB1      LEU  -4   9.036   5.197   7.514
  108    HG   LEU  -4           HG       LEU  -4   8.872   4.128   4.694
  109   HD11  LEU  -4          HD11      LEU  -4  10.771   2.750   5.282
  110   HD12  LEU  -4          HD12      LEU  -4  10.835   3.476   6.887
  111   HD13  LEU  -4          HD13      LEU  -4  11.188   4.454   5.463
  112   HD21  LEU  -4          HD21      LEU  -4   7.203   3.161   6.183
  113   HD22  LEU  -4          HD22      LEU  -4   8.458   2.790   7.364
  114   HD23  LEU  -4          HD23      LEU  -4   8.457   1.983   5.796
  115    H    PHE  -3           HN       PHE  -3   5.344   6.991   7.248
  116    HA   PHE  -3           HA       PHE  -3   6.625   8.787   9.036
  117    HB2  PHE  -3           HB2      PHE  -3   5.756  10.907   8.008
  118    HB3  PHE  -3           HB1      PHE  -3   7.086  10.158   7.143
  119    HD1  PHE  -3           HD1      PHE  -3   6.780   9.279   4.922
  120    HD2  PHE  -3           HD2      PHE  -3   3.510  10.939   7.078
  121    HE1  PHE  -3           HE1      PHE  -3   5.448   9.325   2.855
  122    HE2  PHE  -3           HE2      PHE  -3   2.172  10.993   5.014
  123    HZ   PHE  -3           HZ       PHE  -3   3.195  10.281   2.867
  124    H    GLN  -2           HN       GLN  -2   3.648   7.976   7.302
  125    HA   GLN  -2           HA       GLN  -2   2.198   8.381   9.825
  126    HB2  GLN  -2           HB2      GLN  -2   1.779  10.335   8.377
  127    HB3  GLN  -2           HB1      GLN  -2   1.228   9.266   7.091
  128    HG2  GLN  -2           HG2      GLN  -2  -0.584   8.489   8.601
  129    HG3  GLN  -2           HG1      GLN  -2  -0.075   9.709   9.767
  130   HE21  GLN  -2          HE21      GLN  -2   0.587  11.667   7.712
  131   HE22  GLN  -2          HE22      GLN  -2  -0.924  12.256   7.116
  132    H    GLY  -1           HN       GLY  -1   2.129   6.127  10.168
  133    HA2  GLY  -1           HA2      GLY  -1  -0.019   4.694   9.477
  134    HA3  GLY  -1           HA1      GLY  -1   1.015   4.432   8.083
  135    HA   PRO   0           HA       PRO   0   2.407   1.687  11.714
  136    HB2  PRO   0           HB2      PRO   0   0.423   0.065  12.415
  137    HB3  PRO   0           HB1      PRO   0   0.492   1.715  13.045
  138    HG2  PRO   0           HG2      PRO   0  -1.181   0.603  10.827
  139    HG3  PRO   0           HG1      PRO   0  -1.637   1.736  12.113
  140    HD2  PRO   0           HD2      PRO   0  -0.938   2.461   9.531
  141    HD3  PRO   0           HD1      PRO   0  -0.883   3.537  10.941
  142    H    ARG   1           HN       ARG   1   1.811  -0.987  11.813
  143    HA   ARG   1           HA       ARG   1   1.660  -2.003   9.079
  144    HB2  ARG   1           HB2      ARG   1   3.621  -3.419   9.403
  145    HB3  ARG   1           HB1      ARG   1   4.057  -1.724   9.563
  146    HG2  ARG   1           HG2      ARG   1   3.867  -2.028  12.052
  147    HG3  ARG   1           HG1      ARG   1   3.728  -3.760  11.748
  148    HD2  ARG   1           HD2      ARG   1   6.034  -1.977  10.988
  149    HD3  ARG   1           HD1      ARG   1   6.021  -3.183  12.271
  150    HE   ARG   1           HE       ARG   1   5.412  -4.624  10.059
  151   HH11  ARG   1          HH11      ARG   1   7.984  -2.385  10.843
  152   HH12  ARG   1          HH12      ARG   1   9.150  -3.159   9.820
  153   HH21  ARG   1          HH21      ARG   1   6.940  -5.639   8.690
  154   HH22  ARG   1          HH22      ARG   1   8.549  -5.004   8.582
  155    H    ARG   2           HN       ARG   2   1.576  -4.521   9.187
  156    HA   ARG   2           HA       ARG   2   0.424  -5.623  11.581
  157    HB2  ARG   2           HB2      ARG   2  -1.434  -4.164  10.318
  158    HB3  ARG   2           HB1      ARG   2  -1.524  -5.578   9.284
  159    HG2  ARG   2           HG2      ARG   2  -2.028  -6.982  11.181
  160    HG3  ARG   2           HG1      ARG   2  -1.869  -5.595  12.242
  161    HD2  ARG   2           HD2      ARG   2  -3.729  -4.498  11.052
  162    HD3  ARG   2           HD1      ARG   2  -3.915  -5.951  10.072
  163    HE   ARG   2           HE       ARG   2  -4.504  -5.697  12.940
  164   HH11  ARG   2          HH11      ARG   2  -4.532  -7.624  10.023
  165   HH12  ARG   2          HH12      ARG   2  -5.759  -8.710  10.598
  166   HH21  ARG   2          HH21      ARG   2  -6.111  -7.140  13.713
  167   HH22  ARG   2          HH22      ARG   2  -6.654  -8.437  12.698
  168    H    ALA   3           HN       ALA   3  -0.474  -7.970  10.980
  169    HA   ALA   3           HA       ALA   3   0.620  -8.858   8.418
  170    HB1  ALA   3           HB1      ALA   3   2.347  -9.384  10.113
  171    HB2  ALA   3           HB2      ALA   3   1.692 -10.826   9.342
  172    HB3  ALA   3           HB3      ALA   3   1.179 -10.392  10.970
  173    H    GLY   4           HN       GLY   4  -0.237 -11.260   7.922
  174    HA2  GLY   4           HA2      GLY   4  -2.132 -12.429   7.404
  175    HA3  GLY   4           HA1      GLY   4  -2.458 -12.343   9.127
  176    H    THR   5           HN       THR   5  -2.423  -9.728   6.700
  177    HA   THR   5           HA       THR   5  -5.192  -9.139   7.515
  178    HB   THR   5           HB       THR   5  -3.199  -7.000   6.774
  179    HG1  THR   5           HG1      THR   5  -2.837  -8.561   8.773
  180   HG21  THR   5          HG21      THR   5  -5.601  -6.365   6.845
  181   HG22  THR   5          HG22      THR   5  -4.685  -5.586   8.138
  182   HG23  THR   5          HG23      THR   5  -5.704  -6.971   8.499
  183    H    CYS   6           HN       CYS   6  -6.303  -7.609   5.883
  184    HA   CYS   6           HA       CYS   6  -5.372  -8.105   3.137
  185    HB2  CYS   6           HB2      CYS   6  -7.968  -8.015   2.653
  186    HB3  CYS   6           HB1      CYS   6  -7.197  -9.496   3.162
  187    HG   CYS   6           HG       CYS   6  -9.689  -7.907   4.531
  188    H    CYS   7           HN       CYS   7  -5.944  -6.507   1.565
  189    HA   CYS   7           HA       CYS   7  -5.797  -3.897   2.794
  190    HB2  CYS   7           HB2      CYS   7  -4.265  -4.507   0.964
  191    HB3  CYS   7           HB1      CYS   7  -5.612  -4.595  -0.124
  192    H    ALA   8           HN       ALA   8  -7.384  -2.514   3.064
  193    HA   ALA   8           HA       ALA   8 -10.070  -3.016   2.552
  194    HB1  ALA   8           HB1      ALA   8  -9.245  -1.585   4.357
  195    HB2  ALA   8           HB2      ALA   8 -10.475  -0.779   3.379
  196    HB3  ALA   8           HB3      ALA   8  -8.769  -0.375   3.159
  197    H    ASN   9           HN       ASN   9  -8.482  -2.967   0.074
  198    HA   ASN   9           HA       ASN   9 -10.157  -1.275  -1.527
  199    HB2  ASN   9           HB2      ASN   9  -8.534   0.379  -0.779
  200    HB3  ASN   9           HB1      ASN   9  -7.196  -0.685  -1.315
  201   HD21  ASN   9          HD21      ASN   9  -6.289   0.317  -2.953
  202   HD22  ASN   9          HD22      ASN   9  -7.104   0.950  -4.331
  203    H    CYS  10           HN       CYS  10  -7.152  -3.247  -1.437
  204    HA   CYS  10           HA       CYS  10  -7.953  -4.186  -4.112
  205    HB2  CYS  10           HB2      CYS  10  -5.722  -4.090  -4.902
  206    HB3  CYS  10           HB1      CYS  10  -6.003  -2.564  -4.038
  207    H    GLN  11           HN       GLN  11  -7.870  -5.204  -1.104
  208    HA   GLN  11           HA       GLN  11  -7.624  -7.120   0.057
  209    HB2  GLN  11           HB2      GLN  11  -8.880  -7.757  -2.534
  210    HB3  GLN  11           HB1      GLN  11  -8.340  -9.125  -1.574
  211    HG2  GLN  11           HG2      GLN  11  -9.660  -8.320   0.317
  212    HG3  GLN  11           HG1      GLN  11 -10.206  -6.956  -0.655
  213   HE21  GLN  11          HE21      GLN  11 -10.397 -10.398  -0.182
  214   HE22  GLN  11          HE22      GLN  11 -11.818 -10.648  -1.135
  215    H    THR  12           HN       THR  12  -5.112  -6.532  -1.877
  216    HA   THR  12           HA       THR  12  -3.848  -9.004  -1.996
  217    HB   THR  12           HB       THR  12  -2.901  -6.862  -2.963
  218    HG1  THR  12           HG1      THR  12  -1.598  -8.696  -2.874
  219   HG21  THR  12          HG21      THR  12  -3.132  -5.442  -0.954
  220   HG22  THR  12          HG22      THR  12  -1.454  -5.508  -1.505
  221   HG23  THR  12          HG23      THR  12  -1.960  -6.461  -0.110
  222    H    THR  13           HN       THR  13  -2.559 -10.069  -0.569
  223    HA   THR  13           HA       THR  13  -2.710  -9.221   2.241
  224    HB   THR  13           HB       THR  13  -2.867 -11.674   2.833
  225    HG1  THR  13           HG1      THR  13  -3.841 -12.041   0.197
  226   HG21  THR  13          HG21      THR  13  -5.183 -10.593   1.225
  227   HG22  THR  13          HG22      THR  13  -4.782 -10.076   2.864
  228   HG23  THR  13          HG23      THR  13  -5.259 -11.751   2.554
  229    H    THR  14           HN       THR  14  -0.746  -9.208  -0.044
  230    HA   THR  14           HA       THR  14   1.472 -10.452   1.420
  231    HB   THR  14           HB       THR  14   1.235 -11.587  -0.738
  232    HG1  THR  14           HG1      THR  14   3.517  -9.887  -0.798
  233   HG21  THR  14          HG21      THR  14   0.282 -10.106  -2.282
  234   HG22  THR  14          HG22      THR  14   1.956 -10.226  -2.812
  235   HG23  THR  14          HG23      THR  14   1.426  -8.821  -1.890
  236    H    THR  15           HN       THR  15   1.379  -8.495   2.635
  237    HA   THR  15           HA       THR  15   2.839  -6.313   1.367
  238    HB   THR  15           HB       THR  15   0.310  -5.610   2.895
  239    HG1  THR  15           HG1      THR  15   0.657  -6.460   0.294
  240   HG21  THR  15          HG21      THR  15   2.184  -4.093   1.086
  241   HG22  THR  15          HG22      THR  15   2.032  -3.913   2.831
  242   HG23  THR  15          HG23      THR  15   0.697  -3.457   1.782
  243    H    THR  16           HN       THR  16   4.305  -5.428   2.681
  244    HA   THR  16           HA       THR  16   4.518  -6.456   5.387
  245    HB   THR  16           HB       THR  16   6.459  -4.617   3.974
  246    HG1  THR  16           HG1      THR  16   6.037  -7.415   3.716
  247   HG21  THR  16          HG21      THR  16   6.839  -4.972   6.376
  248   HG22  THR  16          HG22      THR  16   8.110  -5.717   5.408
  249   HG23  THR  16          HG23      THR  16   6.843  -6.716   6.118
  250    H    LEU  17           HN       LEU  17   3.158  -3.758   3.947
  251    HA   LEU  17           HA       LEU  17   3.521  -2.148   6.433
  252    HB2  LEU  17           HB2      LEU  17   4.990  -1.353   4.510
  253    HB3  LEU  17           HB1      LEU  17   3.521  -0.884   3.679
  254    HG   LEU  17           HG       LEU  17   2.986   0.730   5.366
  255   HD11  LEU  17          HD11      LEU  17   4.557   1.154   7.244
  256   HD12  LEU  17          HD12      LEU  17   5.421  -0.319   6.808
  257   HD13  LEU  17          HD13      LEU  17   3.748  -0.408   7.355
  258   HD21  LEU  17          HD21      LEU  17   5.892   0.902   4.579
  259   HD22  LEU  17          HD22      LEU  17   4.882   2.250   5.104
  260   HD23  LEU  17          HD23      LEU  17   4.521   1.409   3.595
  261    H    TRP  18           HN       TRP  18   1.493  -2.687   7.142
  262    HA   TRP  18           HA       TRP  18  -0.788  -2.100   5.524
  263    HB2  TRP  18           HB2      TRP  18  -0.589  -3.261   8.282
  264    HB3  TRP  18           HB1      TRP  18  -2.070  -3.035   7.446
  265    HD1  TRP  18           HD1      TRP  18   0.844  -5.371   7.618
  266    HE1  TRP  18           HE1      TRP  18   0.440  -7.337   6.076
  267    HE3  TRP  18           HE3      TRP  18  -3.223  -3.636   5.072
  268    HZ2  TRP  18           HZ2      TRP  18  -1.330  -8.122   4.072
  269    HZ3  TRP  18           HZ3      TRP  18  -4.272  -5.080   3.376
  270    HH2  TRP  18           HH2      TRP  18  -3.347  -7.245   2.853
  271    H    ARG  19           HN       ARG  19  -0.887   0.049   5.298
  272    HA   ARG  19           HA       ARG  19  -0.888   1.864   7.611
  273    HB2  ARG  19           HB2      ARG  19  -1.765   3.136   5.183
  274    HB3  ARG  19           HB1      ARG  19  -0.248   3.340   6.036
  275    HG2  ARG  19           HG2      ARG  19   0.310   1.055   4.766
  276    HG3  ARG  19           HG1      ARG  19  -0.860   1.726   3.632
  277    HD2  ARG  19           HD2      ARG  19   1.313   2.475   2.939
  278    HD3  ARG  19           HD1      ARG  19   0.488   3.853   3.670
  279    HE   ARG  19           HE       ARG  19   2.658   2.294   4.879
  280   HH11  ARG  19          HH11      ARG  19   0.583   5.083   4.852
  281   HH12  ARG  19          HH12      ARG  19   1.419   5.893   6.136
  282   HH21  ARG  19          HH21      ARG  19   3.805   3.349   6.546
  283   HH22  ARG  19          HH22      ARG  19   3.298   4.918   7.070
  284    H    ARG  20           HN       ARG  20  -2.796   3.501   7.708
  285    HA   ARG  20           HA       ARG  20  -5.310   2.056   7.322
  286    HB2  ARG  20           HB2      ARG  20  -4.484   4.258   9.185
  287    HB3  ARG  20           HB1      ARG  20  -6.168   3.895   8.889
  288    HG2  ARG  20           HG2      ARG  20  -4.142   2.391  10.404
  289    HG3  ARG  20           HG1      ARG  20  -5.864   2.631  10.688
  290    HD2  ARG  20           HD2      ARG  20  -6.346   1.076   8.820
  291    HD3  ARG  20           HD1      ARG  20  -4.617   0.752   8.700
  292    HE   ARG  20           HE       ARG  20  -6.419  -0.087  10.845
  293   HH11  ARG  20          HH11      ARG  20  -3.192  -0.037   9.474
  294   HH12  ARG  20          HH12      ARG  20  -2.600  -1.299  10.506
  295   HH21  ARG  20          HH21      ARG  20  -5.653  -1.764  12.175
  296   HH22  ARG  20          HH22      ARG  20  -3.998  -2.274  12.054
  297    H    ASN  21           HN       ASN  21  -7.041   2.990   6.292
  298    HA   ASN  21           HA       ASN  21  -6.438   5.376   4.729
  299    HB2  ASN  21           HB2      ASN  21  -8.341   4.911   3.346
  300    HB3  ASN  21           HB1      ASN  21  -7.481   3.369   3.607
  301   HD21  ASN  21          HD21      ASN  21  -9.557   2.449   2.893
  302   HD22  ASN  21          HD22      ASN  21 -10.860   2.319   3.970
  303    H    ALA  22           HN       ALA  22  -9.106   6.520   4.523
  304    HA   ALA  22           HA       ALA  22  -8.918   8.316   6.642
  305    HB1  ALA  22           HB1      ALA  22 -11.331   7.746   4.944
  306    HB2  ALA  22           HB2      ALA  22  -9.990   8.799   4.499
  307    HB3  ALA  22           HB3      ALA  22 -11.023   9.217   5.864
  308    H    ASN  23           HN       ASN  23 -10.429   5.225   6.670
  309    HA   ASN  23           HA       ASN  23 -12.245   5.982   8.838
  310    HB2  ASN  23           HB2      ASN  23 -13.025   4.797   6.667
  311    HB3  ASN  23           HB1      ASN  23 -12.252   3.388   7.369
  312   HD21  ASN  23          HD21      ASN  23 -15.115   4.149   6.743
  313   HD22  ASN  23          HD22      ASN  23 -15.963   3.802   8.208
  314    H    GLY  24           HN       GLY  24  -9.234   5.076   8.432
  315    HA2  GLY  24           HA2      GLY  24  -7.691   4.071   9.829
  316    HA3  GLY  24           HA1      GLY  24  -9.014   3.688  10.917
  317    H    ASP  25           HN       ASP  25  -9.154   2.875   7.571
  318    HA   ASP  25           HA       ASP  25  -9.342   0.079   8.391
  319    HB2  ASP  25           HB2      ASP  25 -10.650   1.623   6.252
  320    HB3  ASP  25           HB1      ASP  25 -10.093   0.028   5.768
  321    HA   PRO  26           HA       PRO  26  -5.303  -0.758   7.192
  322    HB2  PRO  26           HB2      PRO  26  -5.700  -3.439   6.445
  323    HB3  PRO  26           HB1      PRO  26  -5.343  -2.828   8.093
  324    HG2  PRO  26           HG2      PRO  26  -7.917  -3.657   6.859
  325    HG3  PRO  26           HG1      PRO  26  -7.380  -3.763   8.559
  326    HD2  PRO  26           HD2      PRO  26  -9.164  -1.886   7.692
  327    HD3  PRO  26           HD1      PRO  26  -8.044  -1.584   9.025
  328    H    VAL  27           HN       VAL  27  -4.009  -0.663   5.449
  329    HA   VAL  27           HA       VAL  27  -5.030  -1.583   2.844
  330    HB   VAL  27           HB       VAL  27  -4.079   0.595   1.771
  331   HG11  VAL  27          HG11      VAL  27  -6.784   0.599   3.070
  332   HG12  VAL  27          HG12      VAL  27  -6.376  -0.101   1.499
  333   HG13  VAL  27          HG13      VAL  27  -6.274   1.647   1.750
  334   HG21  VAL  27          HG21      VAL  27  -4.883   1.655   4.464
  335   HG22  VAL  27          HG22      VAL  27  -4.640   2.636   3.023
  336   HG23  VAL  27          HG23      VAL  27  -3.298   1.745   3.712
  337    H    CYS  28           HN       CYS  28  -3.384  -1.855   1.301
  338    HA   CYS  28           HA       CYS  28  -0.927  -2.715   2.473
  339    HB2  CYS  28           HB2      CYS  28  -0.633  -3.740   0.320
  340    HB3  CYS  28           HB1      CYS  28  -2.359  -3.691   0.565
  341    H    ASN  29           HN       ASN  29   1.255  -1.947   1.354
  342    HA   ASN  29           HA       ASN  29   1.893   0.601   1.754
  343    HB2  ASN  29           HB2      ASN  29   3.586  -1.033   1.168
  344    HB3  ASN  29           HB1      ASN  29   2.983  -1.140  -0.490
  345   HD21  ASN  29          HD21      ASN  29   2.897   2.071   0.535
  346   HD22  ASN  29          HD22      ASN  29   4.360   2.514  -0.215
  347    H    ALA  30           HN       ALA  30   0.865  -0.429  -1.546
  348    HA   ALA  30           HA       ALA  30   1.096   2.120  -2.620
  349    HB1  ALA  30           HB1      ALA  30  -0.136   1.384  -4.488
  350    HB2  ALA  30           HB2      ALA  30  -0.805   0.027  -3.582
  351    HB3  ALA  30           HB3      ALA  30   0.918   0.075  -3.956
  352    H    CYS  31           HN       CYS  31  -1.835   0.560  -1.305
  353    HA   CYS  31           HA       CYS  31  -3.462   2.761  -2.109
  354    HB2  CYS  31           HB2      CYS  31  -4.234   0.610  -0.163
  355    HB3  CYS  31           HB1      CYS  31  -5.286   1.657  -1.069
  356    H    GLY  32           HN       GLY  32  -1.801   1.945   0.858
  357    HA2  GLY  32           HA2      GLY  32  -2.909   4.238   2.262
  358    HA3  GLY  32           HA1      GLY  32  -1.502   3.275   2.791
  359    H    LEU  33           HN       LEU  33   0.119   3.561   0.525
  360    HA   LEU  33           HA       LEU  33   1.424   5.970   1.180
  361    HB2  LEU  33           HB2      LEU  33   2.578   4.022   0.246
  362    HB3  LEU  33           HB1      LEU  33   1.741   4.232  -1.254
  363    HG   LEU  33           HG       LEU  33   3.362   6.524  -0.416
  364   HD11  LEU  33          HD11      LEU  33   4.660   3.999  -1.418
  365   HD12  LEU  33          HD12      LEU  33   4.746   4.544   0.254
  366   HD13  LEU  33          HD13      LEU  33   5.453   5.525  -1.031
  367   HD21  LEU  33          HD21      LEU  33   2.207   6.446  -2.546
  368   HD22  LEU  33          HD22      LEU  33   3.016   4.926  -2.933
  369   HD23  LEU  33          HD23      LEU  33   3.952   6.417  -2.801
  370    H    TYR  34           HN       TYR  34  -0.728   5.029  -1.460
  371    HA   TYR  34           HA       TYR  34  -0.220   7.393  -2.850
  372    HB2  TYR  34           HB2      TYR  34  -1.003   5.389  -4.001
  373    HB3  TYR  34           HB1      TYR  34  -2.499   5.429  -3.081
  374    HD1  TYR  34           HD1      TYR  34  -4.196   7.123  -3.580
  375    HD2  TYR  34           HD2      TYR  34  -0.661   6.737  -5.884
  376    HE1  TYR  34           HE1      TYR  34  -5.245   8.413  -5.397
  377    HE2  TYR  34           HE2      TYR  34  -1.683   8.025  -7.699
  378    HH   TYR  34           HH       TYR  34  -3.892   8.623  -8.524
  379    H    TYR  35           HN       TYR  35  -2.769   6.374  -0.677
  380    HA   TYR  35           HA       TYR  35  -4.348   8.701  -0.934
  381    HB2  TYR  35           HB2      TYR  35  -5.207   6.583   0.017
  382    HB3  TYR  35           HB1      TYR  35  -4.148   6.787   1.399
  383    HD1  TYR  35           HD1      TYR  35  -7.074   8.147  -0.289
  384    HD2  TYR  35           HD2      TYR  35  -4.705   8.202   3.199
  385    HE1  TYR  35           HE1      TYR  35  -8.817   9.406   0.811
  386    HE2  TYR  35           HE2      TYR  35  -6.427   9.479   4.355
  387    HH   TYR  35           HH       TYR  35  -9.599   9.878   3.067
  388    H    LYS  36           HN       LYS  36  -1.434   8.059   0.832
  389    HA   LYS  36           HA       LYS  36  -1.882  10.204   2.740
  390    HB2  LYS  36           HB2      LYS  36   0.295   8.289   2.162
  391    HB3  LYS  36           HB1      LYS  36   0.737   9.802   2.933
  392    HG2  LYS  36           HG2      LYS  36   0.372   8.110   4.558
  393    HG3  LYS  36           HG1      LYS  36  -0.797   9.374   4.765
  394    HD2  LYS  36           HD2      LYS  36  -2.433   7.893   3.540
  395    HD3  LYS  36           HD1      LYS  36  -1.213   6.626   3.591
  396    HE2  LYS  36           HE2      LYS  36  -2.682   6.229   5.412
  397    HE3  LYS  36           HE1      LYS  36  -1.205   6.903   6.098
  398    HZ1  LYS  36           HZ1      LYS  36  -3.094   7.933   7.111
  399    HZ2  LYS  36           HZ2      LYS  36  -3.752   8.347   5.614
  400    HZ3  LYS  36           HZ3      LYS  36  -2.328   9.086   6.142
  401    H    LEU  37           HN       LEU  37  -0.787   9.776  -0.326
  402    HA   LEU  37           HA       LEU  37   0.783  12.227  -0.408
  403    HB2  LEU  37           HB2      LEU  37   0.542   9.821  -2.127
  404    HB3  LEU  37           HB1      LEU  37   0.853  11.337  -2.960
  405    HG   LEU  37           HG       LEU  37   2.949  11.558  -1.998
  406   HD11  LEU  37          HD11      LEU  37   2.318  11.101   0.348
  407   HD12  LEU  37          HD12      LEU  37   3.813  10.298  -0.126
  408   HD13  LEU  37          HD13      LEU  37   2.316   9.374  -0.023
  409   HD21  LEU  37          HD21      LEU  37   2.574   8.593  -2.336
  410   HD22  LEU  37          HD22      LEU  37   4.097   9.476  -2.462
  411   HD23  LEU  37          HD23      LEU  37   2.822   9.748  -3.649
  412    H    HIS  38           HN       HIS  38  -2.124  10.763  -1.687
  413    HA   HIS  38           HA       HIS  38  -2.673  13.210  -3.222
  414    HB2  HIS  38           HB2      HIS  38  -3.269  10.339  -3.915
  415    HB3  HIS  38           HB1      HIS  38  -3.711  11.722  -4.897
  416    HD1  HIS  38           HD1      HIS  38  -1.278  13.345  -5.196
  417    HD2  HIS  38           HD2      HIS  38  -1.034   9.209  -4.904
  418    HE1  HIS  38           HE1      HIS  38   1.014  12.736  -6.029
  419    HE2  HIS  38           HE2      HIS  38   1.098  10.221  -5.950
  420    H    ASN  39           HN       ASN  39  -3.778  11.528  -0.629
  421    HA   ASN  39           HA       ASN  39  -5.697  11.669   0.640
  422    HB2  ASN  39           HB2      ASN  39  -6.441  13.755  -1.366
  423    HB3  ASN  39           HB1      ASN  39  -7.334  13.410   0.097
  424   HD21  ASN  39          HD21      ASN  39  -6.724  15.939   0.275
  425   HD22  ASN  39          HD22      ASN  39  -5.254  16.248   1.122
  426    H    VAL  40           HN       VAL  40  -5.612  10.059  -1.989
  427    HA   VAL  40           HA       VAL  40  -8.363   9.203  -1.642
  428    HB   VAL  40           HB       VAL  40  -8.297   8.771  -4.306
  429   HG11  VAL  40          HG11      VAL  40  -9.872  10.626  -4.500
  430   HG12  VAL  40          HG12      VAL  40  -9.365  11.212  -2.916
  431   HG13  VAL  40          HG13      VAL  40 -10.164   9.647  -3.064
  432   HG21  VAL  40          HG21      VAL  40  -7.669  10.822  -5.448
  433   HG22  VAL  40          HG22      VAL  40  -6.276  10.099  -4.660
  434   HG23  VAL  40          HG23      VAL  40  -7.069  11.503  -3.934
  435    H    ASN  41           HN       ASN  41  -8.734   7.062  -2.726
  436    HA   ASN  41           HA       ASN  41  -6.614   5.370  -1.883
  437    HB2  ASN  41           HB2      ASN  41  -9.291   4.896  -3.120
  438    HB3  ASN  41           HB1      ASN  41  -8.107   3.611  -3.168
  439   HD21  ASN  41          HD21      ASN  41 -10.094   5.583  -1.161
  440   HD22  ASN  41          HD22      ASN  41  -9.951   4.638   0.277
  441    H    ARG  42           HN       ARG  42  -5.673   3.664  -3.331
  442    HA   ARG  42           HA       ARG  42  -4.530   5.051  -5.587
  443    HB2  ARG  42           HB2      ARG  42  -3.013   3.868  -4.172
  444    HB3  ARG  42           HB1      ARG  42  -3.926   2.389  -4.309
  445    HG2  ARG  42           HG2      ARG  42  -1.936   2.231  -5.637
  446    HG3  ARG  42           HG1      ARG  42  -3.349   2.254  -6.686
  447    HD2  ARG  42           HD2      ARG  42  -2.943   4.699  -7.034
  448    HD3  ARG  42           HD1      ARG  42  -1.430   4.513  -6.147
  449    HE   ARG  42           HE       ARG  42  -1.695   2.656  -8.311
  450   HH11  ARG  42          HH11      ARG  42  -0.709   5.916  -7.501
  451   HH12  ARG  42          HH12      ARG  42   0.319   6.081  -8.883
  452   HH21  ARG  42          HH21      ARG  42  -0.343   2.870 -10.121
  453   HH22  ARG  42          HH22      ARG  42   0.530   4.347 -10.373
  454    HA   PRO  43           HA       PRO  43  -7.361   2.983  -8.499
  455    HB2  PRO  43           HB2      PRO  43  -5.447   4.404 -10.292
  456    HB3  PRO  43           HB1      PRO  43  -7.211   4.304 -10.384
  457    HG2  PRO  43           HG2      PRO  43  -6.093   6.528  -9.514
  458    HG3  PRO  43           HG1      PRO  43  -7.513   5.866  -8.679
  459    HD2  PRO  43           HD2      PRO  43  -4.615   5.710  -7.903
  460    HD3  PRO  43           HD1      PRO  43  -6.067   6.060  -6.880
  461    H    LEU  44           HN       LEU  44  -7.011   0.981  -9.123
  462    HA   LEU  44           HA       LEU  44  -4.301   0.084  -9.713
  463    HB2  LEU  44           HB2      LEU  44  -6.237  -1.421  -7.955
  464    HB3  LEU  44           HB1      LEU  44  -4.582  -1.863  -8.309
  465    HG   LEU  44           HG       LEU  44  -5.113   0.719  -6.903
  466   HD11  LEU  44          HD11      LEU  44  -5.060  -0.455  -4.765
  467   HD12  LEU  44          HD12      LEU  44  -5.079  -1.999  -5.619
  468   HD13  LEU  44          HD13      LEU  44  -6.468  -0.917  -5.721
  469   HD21  LEU  44          HD21      LEU  44  -2.821   0.074  -7.640
  470   HD22  LEU  44          HD22      LEU  44  -2.929  -1.335  -6.579
  471   HD23  LEU  44          HD23      LEU  44  -2.976   0.296  -5.892
  472    H    THR  45           HN       THR  45  -5.434  -2.677  -9.649
  473    HA   THR  45           HA       THR  45  -6.648  -4.161 -10.841
  474    HB   THR  45           HB       THR  45  -8.060  -1.800 -12.061
  475    HG1  THR  45           HG1      THR  45  -8.134  -2.756  -9.567
  476   HG21  THR  45          HG21      THR  45  -8.841  -4.708 -11.904
  477   HG22  THR  45          HG22      THR  45  -8.322  -3.854 -13.356
  478   HG23  THR  45          HG23      THR  45  -9.832  -3.407 -12.562
  479    H    MET  46           HN       MET  46  -5.903  -1.377 -12.810
  480    HA   MET  46           HA       MET  46  -4.176  -2.829 -14.545
  481    HB2  MET  46           HB2      MET  46  -6.379  -3.611 -15.366
  482    HB3  MET  46           HB1      MET  46  -6.830  -1.940 -15.673
  483    HG2  MET  46           HG2      MET  46  -6.175  -2.990 -17.728
  484    HG3  MET  46           HG1      MET  46  -4.987  -1.765 -17.290
  485    HE1  MET  46           HE1      MET  46  -5.809  -5.575 -17.456
  486    HE2  MET  46           HE2      MET  46  -5.393  -5.393 -15.751
  487    HE3  MET  46           HE3      MET  46  -4.336  -6.308 -16.823
  488    H    LYS  47           HN       LYS  47  -6.405  -0.147 -14.776
  489    HA   LYS  47           HA       LYS  47  -4.417   1.881 -14.674
  490    HB2  LYS  47           HB2      LYS  47  -4.648   2.686 -16.997
  491    HB3  LYS  47           HB1      LYS  47  -3.943   1.077 -16.942
  492    HG2  LYS  47           HG2      LYS  47  -6.142   0.116 -17.470
  493    HG3  LYS  47           HG1      LYS  47  -6.807   1.745 -17.583
  494    HD2  LYS  47           HD2      LYS  47  -5.160   2.224 -19.381
  495    HD3  LYS  47           HD1      LYS  47  -4.668   0.530 -19.319
  496    HE2  LYS  47           HE2      LYS  47  -7.397   1.602 -20.013
  497    HE3  LYS  47           HE1      LYS  47  -6.249   0.838 -21.110
  498    HZ1  LYS  47           HZ1      LYS  47  -7.657  -0.460 -18.833
  499    HZ2  LYS  47           HZ2      LYS  47  -6.470  -1.210 -19.787
  500    HZ3  LYS  47           HZ3      LYS  47  -7.933  -0.730 -20.485
  501    H    LYS  48           HN       LYS  48  -6.547   1.647 -13.137
  502    HA   LYS  48           HA       LYS  48  -8.593   2.405 -12.465
  503    HB2  LYS  48           HB2      LYS  48  -7.267   4.578 -13.105
  504    HB3  LYS  48           HB1      LYS  48  -8.379   4.645 -14.461
  505    HG2  LYS  48           HG2      LYS  48  -9.234   4.567 -11.575
  506    HG3  LYS  48           HG1      LYS  48  -9.028   6.043 -12.509
  507    HD2  LYS  48           HD2      LYS  48 -10.920   3.813 -13.254
  508    HD3  LYS  48           HD1      LYS  48 -11.389   5.249 -12.344
  509    HE2  LYS  48           HE2      LYS  48 -10.215   5.241 -15.125
  510    HE3  LYS  48           HE1      LYS  48 -11.921   5.445 -14.737
  511    HZ1  LYS  48           HZ1      LYS  48 -11.388   7.470 -13.559
  512    HZ2  LYS  48           HZ2      LYS  48 -10.814   7.560 -15.144
  513    HZ3  LYS  48           HZ3      LYS  48  -9.741   7.269 -13.874
  514    H    GLU  49           HN       GLU  49  -9.656   0.572 -13.410
  515    HA   GLU  49           HA       GLU  49 -10.773   0.867 -16.071
  516    HB2  GLU  49           HB2      GLU  49 -10.959  -1.369 -14.048
  517    HB3  GLU  49           HB1      GLU  49 -11.691  -1.416 -15.645
  518    HG2  GLU  49           HG2      GLU  49  -8.745  -1.132 -15.103
  519    HG3  GLU  49           HG1      GLU  49  -9.561  -2.638 -15.515
  Start of MODEL   10
    1    H1   MET -18           HT1      MET -18  21.902   0.077 -10.413
    2    H2   MET -18           HT2      MET -18  21.178   1.592 -10.246
    3    H3   MET -18           HT3      MET -18  21.136   0.798 -11.737
    4    HA   MET -18           HA       MET -18  19.834  -0.149  -9.255
    5    HB2  MET -18           HB2      MET -18  18.719   1.212 -11.710
    6    HB3  MET -18           HB1      MET -18  17.721   0.341 -10.555
    7    HG2  MET -18           HG2      MET -18  18.391   1.865  -8.789
    8    HG3  MET -18           HG1      MET -18  19.449   2.718  -9.909
    9    HE1  MET -18           HE1      MET -18  15.744   1.721  -9.119
   10    HE2  MET -18           HE2      MET -18  15.855   1.305 -10.829
   11    HE3  MET -18           HE3      MET -18  14.846   2.656 -10.314
   12    H    ALA -17           HN       ALA -17  21.375  -1.998 -10.181
   13    HA   ALA -17           HA       ALA -17  20.018  -3.452 -12.327
   14    HB1  ALA -17           HB1      ALA -17  22.444  -3.155 -12.506
   15    HB2  ALA -17           HB2      ALA -17  21.995  -4.857 -12.407
   16    HB3  ALA -17           HB3      ALA -17  22.658  -4.037 -10.994
   17    H    HIS -16           HN       HIS -16  18.486  -3.385 -10.102
   18    HA   HIS -16           HA       HIS -16  18.523  -6.206  -9.319
   19    HB2  HIS -16           HB2      HIS -16  18.080  -3.923  -7.375
   20    HB3  HIS -16           HB1      HIS -16  17.855  -5.628  -7.005
   21    HD1  HIS -16           HD1      HIS -16  20.064  -7.107  -6.943
   22    HD2  HIS -16           HD2      HIS -16  20.650  -2.997  -7.161
   23    HE1  HIS -16           HE1      HIS -16  22.475  -6.735  -6.338
   24    HE2  HIS -16           HE2      HIS -16  22.842  -4.263  -6.628
   25    H    HIS -15           HN       HIS -15  16.493  -7.109  -9.055
   26    HA   HIS -15           HA       HIS -15  14.285  -5.373  -9.915
   27    HB2  HIS -15           HB2      HIS -15  13.252  -7.613 -10.723
   28    HB3  HIS -15           HB1      HIS -15  14.504  -6.850 -11.690
   29    HD1  HIS -15           HD1      HIS -15  16.754  -8.058 -11.890
   30    HD2  HIS -15           HD2      HIS -15  13.991 -10.050  -9.509
   31    HE1  HIS -15           HE1      HIS -15  17.687 -10.366 -11.567
   32    HE2  HIS -15           HE2      HIS -15  15.931 -11.597 -10.243
   33    H    HIS -14           HN       HIS -14  14.450  -5.049  -7.473
   34    HA   HIS -14           HA       HIS -14  12.445  -6.826  -6.242
   35    HB2  HIS -14           HB2      HIS -14  14.695  -5.292  -4.926
   36    HB3  HIS -14           HB1      HIS -14  13.358  -6.001  -4.031
   37    HD1  HIS -14           HD1      HIS -14  16.662  -6.694  -4.464
   38    HD2  HIS -14           HD2      HIS -14  13.259  -8.980  -5.161
   39    HE1  HIS -14           HE1      HIS -14  17.422  -9.086  -4.388
   40    HE2  HIS -14           HE2      HIS -14  15.382 -10.443  -4.959
   41    H    HIS -13           HN       HIS -13  11.359  -5.067  -7.785
   42    HA   HIS -13           HA       HIS -13  10.950  -2.542  -6.383
   43    HB2  HIS -13           HB2      HIS -13   9.961  -3.517  -9.071
   44    HB3  HIS -13           HB1      HIS -13   9.615  -1.928  -8.403
   45    HD1  HIS -13           HD1      HIS -13  11.042  -0.223  -9.472
   46    HD2  HIS -13           HD2      HIS -13  13.047  -3.837  -9.021
   47    HE1  HIS -13           HE1      HIS -13  13.344   0.156 -10.412
   48    HE2  HIS -13           HE2      HIS -13  14.487  -2.082 -10.254
   49    H    HIS -12           HN       HIS -12   9.211  -5.436  -7.335
   50    HA   HIS -12           HA       HIS -12   6.749  -4.562  -6.086
   51    HB2  HIS -12           HB2      HIS -12   6.640  -5.962  -8.091
   52    HB3  HIS -12           HB1      HIS -12   7.565  -7.220  -7.288
   53    HD1  HIS -12           HD1      HIS -12   4.134  -5.858  -7.639
   54    HD2  HIS -12           HD2      HIS -12   6.110  -8.723  -5.367
   55    HE1  HIS -12           HE1      HIS -12   2.326  -7.264  -6.601
   56    HE2  HIS -12           HE2      HIS -12   3.556  -9.107  -5.399
   57    H    HIS -11           HN       HIS -11   9.414  -6.767  -5.452
   58    HA   HIS -11           HA       HIS -11   8.321  -7.489  -2.849
   59    HB2  HIS -11           HB2      HIS -11  10.859  -8.321  -4.270
   60    HB3  HIS -11           HB1      HIS -11  10.424  -8.857  -2.654
   61    HD1  HIS -11           HD1      HIS -11   7.933 -10.115  -2.618
   62    HD2  HIS -11           HD2      HIS -11  10.052 -10.026  -6.191
   63    HE1  HIS -11           HE1      HIS -11   6.967 -11.960  -4.020
   64    HE2  HIS -11           HE2      HIS -11   8.401 -12.012  -6.091
   65    H    SER -10           HN       SER -10   8.476  -5.906  -1.407
   66    HA   SER -10           HA       SER -10   9.331  -4.374   0.017
   67    HB2  SER -10           HB2      SER -10  12.033  -5.386  -0.907
   68    HB3  SER -10           HB1      SER -10  11.728  -4.413   0.533
   69    HG   SER -10           HG       SER -10  10.673  -7.010   0.031
   70    H    SER  -9           HN       SER  -9  11.352  -2.578  -0.080
   71    HA   SER  -9           HA       SER  -9  12.173  -0.700  -1.035
   72    HB2  SER  -9           HB2      SER  -9  11.261  -1.822  -3.692
   73    HB3  SER  -9           HB1      SER  -9  12.398  -0.499  -3.443
   74    HG   SER  -9           HG       SER  -9  12.815  -3.186  -3.388
   75    H    GLY  -8           HN       GLY  -8   9.110  -1.622  -2.620
   76    HA2  GLY  -8           HA2      GLY  -8   8.278   0.991  -3.233
   77    HA3  GLY  -8           HA1      GLY  -8   7.226  -0.410  -3.108
   78    H    LEU  -7           HN       LEU  -7   8.129  -0.743  -0.236
   79    HA   LEU  -7           HA       LEU  -7   6.023   0.856   0.882
   80    HB2  LEU  -7           HB2      LEU  -7   6.356  -0.363   2.914
   81    HB3  LEU  -7           HB1      LEU  -7   6.398  -1.484   1.576
   82    HG   LEU  -7           HG       LEU  -7   8.920  -0.446   2.853
   83   HD11  LEU  -7          HD11      LEU  -7   7.339  -2.904   3.600
   84   HD12  LEU  -7          HD12      LEU  -7   7.579  -1.475   4.606
   85   HD13  LEU  -7          HD13      LEU  -7   8.951  -2.501   4.187
   86   HD21  LEU  -7          HD21      LEU  -7   9.280  -1.473   0.723
   87   HD22  LEU  -7          HD22      LEU  -7   8.251  -2.839   1.151
   88   HD23  LEU  -7          HD23      LEU  -7   9.796  -2.609   1.969
   89    H    GLU  -6           HN       GLU  -6   7.663   2.648  -0.047
   90    HA   GLU  -6           HA       GLU  -6   9.738   3.428   1.785
   91    HB2  GLU  -6           HB2      GLU  -6   9.903   3.724  -0.666
   92    HB3  GLU  -6           HB1      GLU  -6   8.577   4.873  -0.605
   93    HG2  GLU  -6           HG2      GLU  -6   9.892   6.431   0.631
   94    HG3  GLU  -6           HG1      GLU  -6  11.187   5.253   0.837
   95    H    VAL  -5           HN       VAL  -5   6.393   3.894   1.673
   96    HA   VAL  -5           HA       VAL  -5   6.324   6.496   2.872
   97    HB   VAL  -5           HB       VAL  -5   4.408   5.773   1.561
   98   HG11  VAL  -5          HG11      VAL  -5   3.950   3.651   3.636
   99   HG12  VAL  -5          HG12      VAL  -5   4.524   3.376   1.992
  100   HG13  VAL  -5          HG13      VAL  -5   2.905   4.022   2.265
  101   HG21  VAL  -5          HG21      VAL  -5   3.742   6.097   4.472
  102   HG22  VAL  -5          HG22      VAL  -5   2.607   6.293   3.137
  103   HG23  VAL  -5          HG23      VAL  -5   3.982   7.386   3.290
  104    H    LEU  -4           HN       LEU  -4   7.742   6.286   4.615
  105    HA   LEU  -4           HA       LEU  -4   6.992   4.447   6.752
  106    HB2  LEU  -4           HB2      LEU  -4   9.158   5.354   7.789
  107    HB3  LEU  -4           HB1      LEU  -4   9.276   4.304   6.393
  108    HG   LEU  -4           HG       LEU  -4   9.522   6.395   4.981
  109   HD11  LEU  -4          HD11      LEU  -4   9.977   7.680   7.668
  110   HD12  LEU  -4          HD12      LEU  -4   8.637   8.016   6.572
  111   HD13  LEU  -4          HD13      LEU  -4  10.286   8.421   6.098
  112   HD21  LEU  -4          HD21      LEU  -4  11.403   4.967   5.517
  113   HD22  LEU  -4          HD22      LEU  -4  11.621   5.796   7.057
  114   HD23  LEU  -4          HD23      LEU  -4  11.893   6.661   5.544
  115    H    PHE  -3           HN       PHE  -3   5.493   6.947   6.042
  116    HA   PHE  -3           HA       PHE  -3   5.561   8.149   8.718
  117    HB2  PHE  -3           HB2      PHE  -3   5.055  10.356   7.695
  118    HB3  PHE  -3           HB1      PHE  -3   6.637   9.735   7.237
  119    HD1  PHE  -3           HD1      PHE  -3   7.071   8.997   4.959
  120    HD2  PHE  -3           HD2      PHE  -3   3.285  10.580   6.083
  121    HE1  PHE  -3           HE1      PHE  -3   6.493   9.290   2.586
  122    HE2  PHE  -3           HE2      PHE  -3   2.703  10.875   3.715
  123    HZ   PHE  -3           HZ       PHE  -3   4.313  10.227   1.959
  124    H    GLN  -2           HN       GLN  -2   3.616   8.765   9.588
  125    HA   GLN  -2           HA       GLN  -2   1.390   8.682  10.020
  126    HB2  GLN  -2           HB2      GLN  -2   1.173   9.244   7.057
  127    HB3  GLN  -2           HB1      GLN  -2  -0.112   9.462   8.235
  128    HG2  GLN  -2           HG2      GLN  -2   2.500  10.955   8.171
  129    HG3  GLN  -2           HG1      GLN  -2   0.935  11.577   7.654
  130   HE21  GLN  -2          HE21      GLN  -2  -0.632  12.051   9.215
  131   HE22  GLN  -2          HE22      GLN  -2  -0.221  12.261  10.883
  132    H    GLY  -1           HN       GLY  -1   1.870   6.256  10.314
  133    HA2  GLY  -1           HA2      GLY  -1  -0.341   4.812   9.503
  134    HA3  GLY  -1           HA1      GLY  -1   0.909   4.458   8.324
  135    HA   PRO   0           HA       PRO   0   1.683   1.945  12.276
  136    HB2  PRO   0           HB2      PRO   0  -0.393   0.314  12.669
  137    HB3  PRO   0           HB1      PRO   0  -0.409   1.965  13.296
  138    HG2  PRO   0           HG2      PRO   0  -1.759   0.840  10.883
  139    HG3  PRO   0           HG1      PRO   0  -2.361   2.026  12.053
  140    HD2  PRO   0           HD2      PRO   0  -1.273   2.628   9.568
  141    HD3  PRO   0           HD1      PRO   0  -1.429   3.764  10.922
  142    H    ARG   1           HN       ARG   1   1.012  -0.768  12.305
  143    HA   ARG   1           HA       ARG   1   1.386  -1.796   9.605
  144    HB2  ARG   1           HB2      ARG   1   3.658  -1.331  10.636
  145    HB3  ARG   1           HB1      ARG   1   3.279  -2.554  11.838
  146    HG2  ARG   1           HG2      ARG   1   3.105  -4.238  10.077
  147    HG3  ARG   1           HG1      ARG   1   3.475  -3.009   8.867
  148    HD2  ARG   1           HD2      ARG   1   5.456  -4.321   9.422
  149    HD3  ARG   1           HD1      ARG   1   5.655  -2.637   9.904
  150    HE   ARG   1           HE       ARG   1   4.708  -3.848  12.148
  151   HH11  ARG   1          HH11      ARG   1   7.424  -4.449  10.022
  152   HH12  ARG   1          HH12      ARG   1   8.404  -5.144  11.274
  153   HH21  ARG   1          HH21      ARG   1   6.003  -4.745  13.790
  154   HH22  ARG   1          HH22      ARG   1   7.604  -5.306  13.414
  155    H    ARG   2           HN       ARG   2   1.327  -4.269   9.664
  156    HA   ARG   2           HA       ARG   2   0.210  -5.584  11.934
  157    HB2  ARG   2           HB2      ARG   2  -1.763  -4.237  10.897
  158    HB3  ARG   2           HB1      ARG   2  -1.697  -5.393   9.580
  159    HG2  ARG   2           HG2      ARG   2  -3.373  -6.100  11.062
  160    HG3  ARG   2           HG1      ARG   2  -1.994  -7.152  11.302
  161    HD2  ARG   2           HD2      ARG   2  -2.643  -6.697  13.476
  162    HD3  ARG   2           HD1      ARG   2  -1.356  -5.528  13.200
  163    HE   ARG   2           HE       ARG   2  -4.085  -4.646  12.679
  164   HH11  ARG   2          HH11      ARG   2  -1.297  -4.614  14.800
  165   HH12  ARG   2          HH12      ARG   2  -1.889  -3.303  15.769
  166   HH21  ARG   2          HH21      ARG   2  -4.883  -2.935  13.975
  167   HH22  ARG   2          HH22      ARG   2  -3.928  -2.348  15.301
  168    H    ALA   3           HN       ALA   3  -0.559  -7.915  11.104
  169    HA   ALA   3           HA       ALA   3   0.631  -8.580   8.534
  170    HB1  ALA   3           HB1      ALA   3   1.312 -10.160  11.032
  171    HB2  ALA   3           HB2      ALA   3   2.411  -9.089  10.162
  172    HB3  ALA   3           HB3      ALA   3   1.807 -10.549   9.386
  173    H    GLY   4           HN       GLY   4  -0.084 -11.028   7.944
  174    HA2  GLY   4           HA2      GLY   4  -1.950 -12.237   7.366
  175    HA3  GLY   4           HA1      GLY   4  -2.249 -12.262   9.096
  176    H    THR   5           HN       THR   5  -2.355  -9.553   6.778
  177    HA   THR   5           HA       THR   5  -5.131  -9.081   7.648
  178    HB   THR   5           HB       THR   5  -3.450  -6.776   6.777
  179    HG1  THR   5           HG1      THR   5  -2.823  -8.440   8.892
  180   HG21  THR   5          HG21      THR   5  -5.421  -7.163   9.066
  181   HG22  THR   5          HG22      THR   5  -5.809  -6.442   7.503
  182   HG23  THR   5          HG23      THR   5  -4.684  -5.638   8.599
  183    H    CYS   6           HN       CYS   6  -6.153  -7.357   6.024
  184    HA   CYS   6           HA       CYS   6  -5.378  -8.048   3.280
  185    HB2  CYS   6           HB2      CYS   6  -8.100  -7.829   3.073
  186    HB3  CYS   6           HB1      CYS   6  -7.225  -9.340   3.206
  187    HG   CYS   6           HG       CYS   6  -9.631  -8.457   5.027
  188    H    CYS   7           HN       CYS   7  -6.038  -6.541   1.657
  189    HA   CYS   7           HA       CYS   7  -5.768  -3.885   2.765
  190    HB2  CYS   7           HB2      CYS   7  -4.288  -4.617   0.930
  191    HB3  CYS   7           HB1      CYS   7  -5.660  -4.689  -0.124
  192    H    ALA   8           HN       ALA   8  -7.377  -2.548   3.109
  193    HA   ALA   8           HA       ALA   8 -10.054  -2.957   2.471
  194    HB1  ALA   8           HB1      ALA   8 -10.432  -0.747   3.330
  195    HB2  ALA   8           HB2      ALA   8  -8.725  -0.348   3.144
  196    HB3  ALA   8           HB3      ALA   8  -9.229  -1.561   4.333
  197    H    ASN   9           HN       ASN   9  -8.252  -2.836   0.102
  198    HA   ASN   9           HA       ASN   9  -9.957  -1.162  -1.512
  199    HB2  ASN   9           HB2      ASN   9  -8.244   0.441  -0.830
  200    HB3  ASN   9           HB1      ASN   9  -6.966  -0.665  -1.441
  201   HD21  ASN   9          HD21      ASN   9  -6.149   0.287  -3.168
  202   HD22  ASN   9          HD22      ASN   9  -7.065   0.901  -4.495
  203    H    CYS  10           HN       CYS  10  -7.010  -3.223  -1.505
  204    HA   CYS  10           HA       CYS  10  -7.924  -4.136  -4.155
  205    HB2  CYS  10           HB2      CYS  10  -5.683  -4.140  -4.987
  206    HB3  CYS  10           HB1      CYS  10  -5.930  -2.588  -4.158
  207    H    GLN  11           HN       GLN  11  -7.889  -5.113  -1.200
  208    HA   GLN  11           HA       GLN  11  -7.742  -7.014   0.033
  209    HB2  GLN  11           HB2      GLN  11  -9.568  -7.421  -1.842
  210    HB3  GLN  11           HB1      GLN  11  -8.410  -8.611  -2.411
  211    HG2  GLN  11           HG2      GLN  11  -8.474  -9.747  -0.284
  212    HG3  GLN  11           HG1      GLN  11  -9.549  -8.513   0.369
  213   HE21  GLN  11          HE21      GLN  11  -9.272 -11.252  -1.731
  214   HE22  GLN  11          HE22      GLN  11 -10.964 -11.502  -1.965
  215    H    THR  12           HN       THR  12  -5.203  -6.564  -1.949
  216    HA   THR  12           HA       THR  12  -3.978  -9.049  -2.001
  217    HB   THR  12           HB       THR  12  -3.008  -6.927  -3.013
  218    HG1  THR  12           HG1      THR  12  -1.584  -8.545  -3.095
  219   HG21  THR  12          HG21      THR  12  -1.506  -5.599  -1.577
  220   HG22  THR  12          HG22      THR  12  -2.033  -6.525  -0.170
  221   HG23  THR  12          HG23      THR  12  -3.179  -5.483  -1.019
  222    H    THR  13           HN       THR  13  -2.667 -10.090  -0.559
  223    HA   THR  13           HA       THR  13  -2.784  -9.161   2.227
  224    HB   THR  13           HB       THR  13  -2.930 -11.578   2.911
  225    HG1  THR  13           HG1      THR  13  -4.013 -12.227   0.423
  226   HG21  THR  13          HG21      THR  13  -4.856 -10.021   2.888
  227   HG22  THR  13          HG22      THR  13  -5.321 -11.702   2.598
  228   HG23  THR  13          HG23      THR  13  -5.238 -10.565   1.252
  229    H    THR  14           HN       THR  14  -0.861  -9.448  -0.200
  230    HA   THR  14           HA       THR  14   1.361 -10.579   1.343
  231    HB   THR  14           HB       THR  14   1.024 -11.723  -0.828
  232    HG1  THR  14           HG1      THR  14   3.150 -11.372   0.194
  233   HG21  THR  14          HG21      THR  14   0.267 -10.216  -2.434
  234   HG22  THR  14          HG22      THR  14   1.964 -10.394  -2.863
  235   HG23  THR  14          HG23      THR  14   1.434  -8.977  -1.961
  236    H    THR  15           HN       THR  15   1.263  -8.621   2.531
  237    HA   THR  15           HA       THR  15   2.806  -6.468   1.310
  238    HB   THR  15           HB       THR  15   0.252  -5.720   2.782
  239    HG1  THR  15           HG1      THR  15   0.658  -6.530   0.164
  240   HG21  THR  15          HG21      THR  15   2.044  -4.075   2.753
  241   HG22  THR  15          HG22      THR  15   0.702  -3.558   1.743
  242   HG23  THR  15          HG23      THR  15   2.161  -4.209   1.002
  243    H    THR  16           HN       THR  16   4.092  -5.378   2.771
  244    HA   THR  16           HA       THR  16   4.185  -6.560   5.455
  245    HB   THR  16           HB       THR  16   6.344  -4.892   4.162
  246    HG1  THR  16           HG1      THR  16   5.879  -7.703   3.941
  247   HG21  THR  16          HG21      THR  16   6.557  -5.311   6.571
  248   HG22  THR  16          HG22      THR  16   7.813  -6.152   5.661
  249   HG23  THR  16          HG23      THR  16   6.424  -7.045   6.280
  250    H    LEU  17           HN       LEU  17   3.079  -3.820   3.924
  251    HA   LEU  17           HA       LEU  17   3.559  -2.133   6.340
  252    HB2  LEU  17           HB2      LEU  17   4.955  -1.488   4.345
  253    HB3  LEU  17           HB1      LEU  17   3.474  -1.137   3.487
  254    HG   LEU  17           HG       LEU  17   2.974   0.716   4.887
  255   HD11  LEU  17          HD11      LEU  17   4.363   1.273   6.849
  256   HD12  LEU  17          HD12      LEU  17   5.217  -0.257   6.639
  257   HD13  LEU  17          HD13      LEU  17   3.497  -0.252   7.030
  258   HD21  LEU  17          HD21      LEU  17   4.741   1.105   3.213
  259   HD22  LEU  17          HD22      LEU  17   5.952   0.732   4.442
  260   HD23  LEU  17          HD23      LEU  17   4.908   2.138   4.632
  261    H    TRP  18           HN       TRP  18   1.499  -2.765   7.089
  262    HA   TRP  18           HA       TRP  18  -0.766  -2.092   5.492
  263    HB2  TRP  18           HB2      TRP  18  -0.614  -3.318   8.257
  264    HB3  TRP  18           HB1      TRP  18  -2.111  -3.056   7.447
  265    HD1  TRP  18           HD1      TRP  18   0.739  -5.452   7.672
  266    HE1  TRP  18           HE1      TRP  18   0.352  -7.454   6.122
  267    HE3  TRP  18           HE3      TRP  18  -3.151  -3.629   4.980
  268    HZ2  TRP  18           HZ2      TRP  18  -1.387  -8.185   4.071
  269    HZ3  TRP  18           HZ3      TRP  18  -4.201  -5.042   3.255
  270    HH2  TRP  18           HH2      TRP  18  -3.339  -7.253   2.780
  271    H    ARG  19           HN       ARG  19  -0.924   0.058   5.310
  272    HA   ARG  19           HA       ARG  19  -0.937   1.835   7.671
  273    HB2  ARG  19           HB2      ARG  19  -1.805   3.099   5.189
  274    HB3  ARG  19           HB1      ARG  19  -0.378   3.420   6.162
  275    HG2  ARG  19           HG2      ARG  19   0.494   1.220   5.028
  276    HG3  ARG  19           HG1      ARG  19  -0.681   1.663   3.789
  277    HD2  ARG  19           HD2      ARG  19   1.436   2.599   3.171
  278    HD3  ARG  19           HD1      ARG  19   0.402   3.929   3.690
  279    HE   ARG  19           HE       ARG  19   2.618   2.762   5.238
  280   HH11  ARG  19          HH11      ARG  19   0.320   5.348   4.702
  281   HH12  ARG  19          HH12      ARG  19   1.039   6.397   5.883
  282   HH21  ARG  19          HH21      ARG  19   3.576   4.151   6.770
  283   HH22  ARG  19          HH22      ARG  19   2.903   5.728   7.033
  284    H    ARG  20           HN       ARG  20  -2.848   3.502   7.693
  285    HA   ARG  20           HA       ARG  20  -5.352   2.016   7.394
  286    HB2  ARG  20           HB2      ARG  20  -4.607   4.403   9.070
  287    HB3  ARG  20           HB1      ARG  20  -6.260   3.878   8.865
  288    HG2  ARG  20           HG2      ARG  20  -4.103   2.738  10.482
  289    HG3  ARG  20           HG1      ARG  20  -5.843   2.794  10.741
  290    HD2  ARG  20           HD2      ARG  20  -6.200   0.937   9.289
  291    HD3  ARG  20           HD1      ARG  20  -4.514   0.955   8.771
  292    HE   ARG  20           HE       ARG  20  -5.295   0.353  11.553
  293   HH11  ARG  20          HH11      ARG  20  -3.560  -0.446   8.620
  294   HH12  ARG  20          HH12      ARG  20  -2.644  -1.718   9.355
  295   HH21  ARG  20          HH21      ARG  20  -4.087  -1.313  12.530
  296   HH22  ARG  20          HH22      ARG  20  -2.958  -2.228  11.583
  297    H    ASN  21           HN       ASN  21  -7.099   2.881   6.343
  298    HA   ASN  21           HA       ASN  21  -6.580   5.174   4.619
  299    HB2  ASN  21           HB2      ASN  21  -8.554   4.632   3.379
  300    HB3  ASN  21           HB1      ASN  21  -7.702   3.092   3.677
  301   HD21  ASN  21          HD21      ASN  21 -10.001   2.476   3.021
  302   HD22  ASN  21          HD22      ASN  21 -11.132   2.268   4.287
  303    H    ALA  22           HN       ALA  22  -9.292   6.224   4.453
  304    HA   ALA  22           HA       ALA  22  -8.945   8.243   6.324
  305    HB1  ALA  22           HB1      ALA  22 -10.189   8.469   4.223
  306    HB2  ALA  22           HB2      ALA  22 -11.088   9.084   5.609
  307    HB3  ALA  22           HB3      ALA  22 -11.503   7.517   4.915
  308    H    ASN  23           HN       ASN  23 -10.653   5.222   6.775
  309    HA   ASN  23           HA       ASN  23 -11.978   6.347   9.137
  310    HB2  ASN  23           HB2      ASN  23 -13.331   5.294   7.193
  311    HB3  ASN  23           HB1      ASN  23 -12.781   3.783   7.878
  312   HD21  ASN  23          HD21      ASN  23 -15.432   4.090   7.816
  313   HD22  ASN  23          HD22      ASN  23 -16.049   4.429   9.395
  314    H    GLY  24           HN       GLY  24  -9.288   4.905   8.346
  315    HA2  GLY  24           HA2      GLY  24  -7.748   4.016   9.861
  316    HA3  GLY  24           HA1      GLY  24  -9.079   3.618  10.926
  317    H    ASP  25           HN       ASP  25  -9.161   2.733   7.567
  318    HA   ASP  25           HA       ASP  25  -9.215  -0.064   8.440
  319    HB2  ASP  25           HB2      ASP  25 -10.816   1.187   6.623
  320    HB3  ASP  25           HB1      ASP  25  -9.635   0.404   5.573
  321    HA   PRO  26           HA       PRO  26  -5.133  -0.825   7.203
  322    HB2  PRO  26           HB2      PRO  26  -5.388  -3.516   6.620
  323    HB3  PRO  26           HB1      PRO  26  -5.214  -2.833   8.265
  324    HG2  PRO  26           HG2      PRO  26  -7.660  -3.758   6.812
  325    HG3  PRO  26           HG1      PRO  26  -7.243  -3.903   8.542
  326    HD2  PRO  26           HD2      PRO  26  -9.007  -2.007   7.594
  327    HD3  PRO  26           HD1      PRO  26  -7.984  -1.746   9.017
  328    H    VAL  27           HN       VAL  27  -4.092  -0.427   5.397
  329    HA   VAL  27           HA       VAL  27  -5.055  -1.588   2.864
  330    HB   VAL  27           HB       VAL  27  -4.063   0.571   1.737
  331   HG11  VAL  27          HG11      VAL  27  -6.267   1.538   1.522
  332   HG12  VAL  27          HG12      VAL  27  -6.828   0.612   2.910
  333   HG13  VAL  27          HG13      VAL  27  -6.359  -0.225   1.427
  334   HG21  VAL  27          HG21      VAL  27  -3.434   1.769   3.761
  335   HG22  VAL  27          HG22      VAL  27  -5.108   1.742   4.307
  336   HG23  VAL  27          HG23      VAL  27  -4.664   2.641   2.861
  337    H    CYS  28           HN       CYS  28  -3.446  -2.069   1.388
  338    HA   CYS  28           HA       CYS  28  -0.937  -2.778   2.491
  339    HB2  CYS  28           HB2      CYS  28  -0.676  -3.865   0.381
  340    HB3  CYS  28           HB1      CYS  28  -2.403  -3.764   0.573
  341    H    ASN  29           HN       ASN  29   1.202  -1.956   1.162
  342    HA   ASN  29           HA       ASN  29   1.488   0.647   1.996
  343    HB2  ASN  29           HB2      ASN  29   3.639  -0.119   1.855
  344    HB3  ASN  29           HB1      ASN  29   3.147  -1.380   0.717
  345   HD21  ASN  29          HD21      ASN  29   3.400   2.232   0.537
  346   HD22  ASN  29          HD22      ASN  29   4.400   2.199  -0.858
  347    H    ALA  30           HN       ALA  30   1.244  -0.392  -1.400
  348    HA   ALA  30           HA       ALA  30   1.373   2.125  -2.527
  349    HB1  ALA  30           HB1      ALA  30   0.048   1.349  -4.386
  350    HB2  ALA  30           HB2      ALA  30  -0.387  -0.101  -3.477
  351    HB3  ALA  30           HB3      ALA  30   1.294   0.187  -3.927
  352    H    CYS  31           HN       CYS  31  -1.596   0.546  -1.365
  353    HA   CYS  31           HA       CYS  31  -3.308   2.654  -2.149
  354    HB2  CYS  31           HB2      CYS  31  -3.731   0.466  -0.166
  355    HB3  CYS  31           HB1      CYS  31  -4.992   1.502  -0.769
  356    H    GLY  32           HN       GLY  32  -1.712   1.921   0.930
  357    HA2  GLY  32           HA2      GLY  32  -2.844   4.249   2.236
  358    HA3  GLY  32           HA1      GLY  32  -1.499   3.253   2.857
  359    H    LEU  33           HN       LEU  33   0.149   3.595   0.496
  360    HA   LEU  33           HA       LEU  33   1.515   5.961   1.283
  361    HB2  LEU  33           HB2      LEU  33   2.637   3.996   0.287
  362    HB3  LEU  33           HB1      LEU  33   1.882   4.340  -1.237
  363    HG   LEU  33           HG       LEU  33   3.526   6.500  -0.105
  364   HD11  LEU  33          HD11      LEU  33   5.598   5.515  -0.859
  365   HD12  LEU  33          HD12      LEU  33   4.756   4.065  -1.401
  366   HD13  LEU  33          HD13      LEU  33   4.869   4.424   0.319
  367   HD21  LEU  33          HD21      LEU  33   4.110   6.729  -2.456
  368   HD22  LEU  33          HD22      LEU  33   2.362   6.666  -2.244
  369   HD23  LEU  33          HD23      LEU  33   3.233   5.242  -2.811
  370    H    TYR  34           HN       TYR  34  -0.558   5.073  -1.472
  371    HA   TYR  34           HA       TYR  34   0.024   7.502  -2.747
  372    HB2  TYR  34           HB2      TYR  34  -0.557   5.571  -4.064
  373    HB3  TYR  34           HB1      TYR  34  -2.099   5.423  -3.243
  374    HD1  TYR  34           HD1      TYR  34  -3.858   7.143  -3.629
  375    HD2  TYR  34           HD2      TYR  34  -0.319   6.904  -5.965
  376    HE1  TYR  34           HE1      TYR  34  -4.915   8.523  -5.364
  377    HE2  TYR  34           HE2      TYR  34  -1.357   8.286  -7.687
  378    HH   TYR  34           HH       TYR  34  -4.189  10.027  -7.229
  379    H    TYR  35           HN       TYR  35  -2.644   6.302  -0.815
  380    HA   TYR  35           HA       TYR  35  -4.349   8.503  -1.042
  381    HB2  TYR  35           HB2      TYR  35  -5.016   6.364   0.010
  382    HB3  TYR  35           HB1      TYR  35  -3.939   6.706   1.355
  383    HD1  TYR  35           HD1      TYR  35  -6.942   7.893  -0.362
  384    HD2  TYR  35           HD2      TYR  35  -4.606   8.021   3.156
  385    HE1  TYR  35           HE1      TYR  35  -8.710   9.159   0.720
  386    HE2  TYR  35           HE2      TYR  35  -6.368   9.266   4.287
  387    HH   TYR  35           HH       TYR  35  -9.521   9.640   2.935
  388    H    LYS  36           HN       LYS  36  -1.388   8.149   0.740
  389    HA   LYS  36           HA       LYS  36  -1.927  10.283   2.557
  390    HB2  LYS  36           HB2      LYS  36   0.375   8.559   1.894
  391    HB3  LYS  36           HB1      LYS  36   0.761  10.150   2.536
  392    HG2  LYS  36           HG2      LYS  36   0.568   8.381   4.251
  393    HG3  LYS  36           HG1      LYS  36  -0.462   9.773   4.508
  394    HD2  LYS  36           HD2      LYS  36  -2.330   8.475   3.469
  395    HD3  LYS  36           HD1      LYS  36  -1.271   7.065   3.487
  396    HE2  LYS  36           HE2      LYS  36  -2.627   6.916   5.422
  397    HE3  LYS  36           HE1      LYS  36  -1.029   7.418   5.967
  398    HZ1  LYS  36           HZ1      LYS  36  -1.852   9.718   6.032
  399    HZ2  LYS  36           HZ2      LYS  36  -2.715   8.703   7.071
  400    HZ3  LYS  36           HZ3      LYS  36  -3.394   9.175   5.598
  401    H    LEU  37           HN       LEU  37  -0.405   9.901  -0.511
  402    HA   LEU  37           HA       LEU  37   0.716  12.516  -0.619
  403    HB2  LEU  37           HB2      LEU  37   0.086  10.918  -3.077
  404    HB3  LEU  37           HB1      LEU  37   1.470  11.958  -2.747
  405    HG   LEU  37           HG       LEU  37   1.038   9.322  -1.371
  406   HD11  LEU  37          HD11      LEU  37   2.684   8.413  -2.970
  407   HD12  LEU  37          HD12      LEU  37   2.563   9.904  -3.902
  408   HD13  LEU  37          HD13      LEU  37   1.156   8.853  -3.727
  409   HD21  LEU  37          HD21      LEU  37   3.425   9.449  -0.945
  410   HD22  LEU  37          HD22      LEU  37   2.606  10.872  -0.291
  411   HD23  LEU  37          HD23      LEU  37   3.507  10.987  -1.803
  412    H    HIS  38           HN       HIS  38  -2.267  10.988  -1.662
  413    HA   HIS  38           HA       HIS  38  -2.952  13.424  -3.164
  414    HB2  HIS  38           HB2      HIS  38  -3.240  10.534  -3.924
  415    HB3  HIS  38           HB1      HIS  38  -4.082  11.811  -4.779
  416    HD1  HIS  38           HD1      HIS  38  -2.043  10.185  -6.347
  417    HD2  HIS  38           HD2      HIS  38  -1.030  13.610  -4.233
  418    HE1  HIS  38           HE1      HIS  38   0.181  10.917  -7.260
  419    HE2  HIS  38           HE2      HIS  38   0.812  12.936  -5.912
  420    H    ASN  39           HN       ASN  39  -3.923  11.684  -0.567
  421    HA   ASN  39           HA       ASN  39  -5.838  11.589   0.695
  422    HB2  ASN  39           HB2      ASN  39  -6.865  13.653  -1.207
  423    HB3  ASN  39           HB1      ASN  39  -7.533  13.266   0.357
  424   HD21  ASN  39          HD21      ASN  39  -6.907  15.933   0.047
  425   HD22  ASN  39          HD22      ASN  39  -5.455  16.302   0.905
  426    H    VAL  40           HN       VAL  40  -5.587  10.041  -1.888
  427    HA   VAL  40           HA       VAL  40  -8.342   9.152  -1.860
  428    HB   VAL  40           HB       VAL  40  -8.086   8.841  -4.490
  429   HG11  VAL  40          HG11      VAL  40  -9.979   9.820  -3.393
  430   HG12  VAL  40          HG12      VAL  40  -9.491  10.822  -4.760
  431   HG13  VAL  40          HG13      VAL  40  -9.083  11.313  -3.117
  432   HG21  VAL  40          HG21      VAL  40  -7.200  10.805  -5.562
  433   HG22  VAL  40          HG22      VAL  40  -5.938  10.061  -4.593
  434   HG23  VAL  40          HG23      VAL  40  -6.762  11.504  -4.001
  435    H    ASN  41           HN       ASN  41  -8.624   7.061  -2.934
  436    HA   ASN  41           HA       ASN  41  -6.579   5.318  -2.048
  437    HB2  ASN  41           HB2      ASN  41  -9.218   4.935  -3.385
  438    HB3  ASN  41           HB1      ASN  41  -8.051   3.637  -3.502
  439   HD21  ASN  41          HD21      ASN  41  -9.896   5.601  -1.305
  440   HD22  ASN  41          HD22      ASN  41  -9.815   4.523   0.040
  441    H    ARG  42           HN       ARG  42  -5.446   3.715  -3.414
  442    HA   ARG  42           HA       ARG  42  -4.184   5.143  -5.579
  443    HB2  ARG  42           HB2      ARG  42  -3.094   3.703  -3.716
  444    HB3  ARG  42           HB1      ARG  42  -3.530   2.339  -4.714
  445    HG2  ARG  42           HG2      ARG  42  -1.787   4.630  -5.593
  446    HG3  ARG  42           HG1      ARG  42  -1.192   3.090  -4.986
  447    HD2  ARG  42           HD2      ARG  42  -2.338   1.967  -6.884
  448    HD3  ARG  42           HD1      ARG  42  -2.780   3.558  -7.508
  449    HE   ARG  42           HE       ARG  42  -0.042   3.611  -7.115
  450   HH11  ARG  42          HH11      ARG  42  -2.301   1.843  -9.127
  451   HH12  ARG  42          HH12      ARG  42  -1.128   1.515 -10.363
  452   HH21  ARG  42          HH21      ARG  42   1.481   3.199  -8.740
  453   HH22  ARG  42          HH22      ARG  42   1.023   2.288 -10.144
  454    HA   PRO  43           HA       PRO  43  -6.985   3.096  -8.566
  455    HB2  PRO  43           HB2      PRO  43  -4.997   4.483 -10.317
  456    HB3  PRO  43           HB1      PRO  43  -6.758   4.397 -10.468
  457    HG2  PRO  43           HG2      PRO  43  -5.666   6.611  -9.565
  458    HG3  PRO  43           HG1      PRO  43  -7.101   5.945  -8.757
  459    HD2  PRO  43           HD2      PRO  43  -4.220   5.807  -7.918
  460    HD3  PRO  43           HD1      PRO  43  -5.698   6.127  -6.927
  461    H    LEU  44           HN       LEU  44  -6.633   1.035  -8.972
  462    HA   LEU  44           HA       LEU  44  -3.921   0.152  -9.609
  463    HB2  LEU  44           HB2      LEU  44  -5.901  -1.331  -7.877
  464    HB3  LEU  44           HB1      LEU  44  -4.276  -1.853  -8.265
  465    HG   LEU  44           HG       LEU  44  -4.611   0.741  -6.835
  466   HD11  LEU  44          HD11      LEU  44  -4.745  -1.969  -5.535
  467   HD12  LEU  44          HD12      LEU  44  -6.079  -0.821  -5.645
  468   HD13  LEU  44          HD13      LEU  44  -4.645  -0.419  -4.701
  469   HD21  LEU  44          HD21      LEU  44  -2.393  -0.092  -7.603
  470   HD22  LEU  44          HD22      LEU  44  -2.614  -1.494  -6.551
  471   HD23  LEU  44          HD23      LEU  44  -2.507   0.126  -5.853
  472    H    THR  45           HN       THR  45  -5.097  -2.612  -9.603
  473    HA   THR  45           HA       THR  45  -6.777  -2.496 -11.994
  474    HB   THR  45           HB       THR  45  -5.489  -4.662 -12.661
  475    HG1  THR  45           HG1      THR  45  -3.216  -3.567 -11.551
  476   HG21  THR  45          HG21      THR  45  -5.412  -2.576 -13.947
  477   HG22  THR  45          HG22      THR  45  -3.837  -3.367 -13.915
  478   HG23  THR  45          HG23      THR  45  -4.142  -1.968 -12.886
  479    H    MET  46           HN       MET  46  -6.453  -5.610 -11.831
  480    HA   MET  46           HA       MET  46  -8.499  -5.973  -9.785
  481    HB2  MET  46           HB2      MET  46  -7.412  -7.705 -11.985
  482    HB3  MET  46           HB1      MET  46  -8.377  -8.396 -10.693
  483    HG2  MET  46           HG2      MET  46 -10.193  -6.814 -11.268
  484    HG3  MET  46           HG1      MET  46  -9.223  -6.251 -12.626
  485    HE1  MET  46           HE1      MET  46  -7.880  -8.927 -13.668
  486    HE2  MET  46           HE2      MET  46  -8.613  -7.717 -14.720
  487    HE3  MET  46           HE3      MET  46  -9.047  -9.417 -14.898
  488    H    LYS  47           HN       LYS  47  -8.192  -8.279  -8.640
  489    HA   LYS  47           HA       LYS  47  -6.062  -8.054  -6.839
  490    HB2  LYS  47           HB2      LYS  47  -8.099  -9.354  -6.372
  491    HB3  LYS  47           HB1      LYS  47  -7.647 -10.517  -7.606
  492    HG2  LYS  47           HG2      LYS  47  -5.660 -11.117  -6.302
  493    HG3  LYS  47           HG1      LYS  47  -6.150  -9.969  -5.052
  494    HD2  LYS  47           HD2      LYS  47  -8.194 -11.216  -4.670
  495    HD3  LYS  47           HD1      LYS  47  -7.788 -12.326  -5.979
  496    HE2  LYS  47           HE2      LYS  47  -5.774 -13.010  -4.737
  497    HE3  LYS  47           HE1      LYS  47  -6.247 -11.942  -3.417
  498    HZ1  LYS  47           HZ1      LYS  47  -7.796 -14.275  -4.405
  499    HZ2  LYS  47           HZ2      LYS  47  -8.279 -13.241  -3.160
  500    HZ3  LYS  47           HZ3      LYS  47  -6.908 -14.210  -2.968
  501    H    LYS  48           HN       LYS  48  -6.440  -9.985  -9.773
  502    HA   LYS  48           HA       LYS  48  -3.508 -10.234  -9.852
  503    HB2  LYS  48           HB2      LYS  48  -4.689 -12.420  -9.561
  504    HB3  LYS  48           HB1      LYS  48  -5.490 -12.143 -11.102
  505    HG2  LYS  48           HG2      LYS  48  -3.122 -11.923 -12.064
  506    HG3  LYS  48           HG1      LYS  48  -2.594 -12.673 -10.559
  507    HD2  LYS  48           HD2      LYS  48  -2.848 -14.381 -12.229
  508    HD3  LYS  48           HD1      LYS  48  -4.126 -14.568 -11.029
  509    HE2  LYS  48           HE2      LYS  48  -4.928 -14.841 -13.354
  510    HE3  LYS  48           HE1      LYS  48  -5.727 -13.527 -12.497
  511    HZ1  LYS  48           HZ1      LYS  48  -5.091 -12.951 -14.788
  512    HZ2  LYS  48           HZ2      LYS  48  -3.464 -13.169 -14.388
  513    HZ3  LYS  48           HZ3      LYS  48  -4.359 -11.939 -13.645
  514    H    GLU  49           HN       GLU  49  -3.954  -8.007 -10.851
  515    HA   GLU  49           HA       GLU  49  -3.434  -6.768 -12.689
  516    HB2  GLU  49           HB2      GLU  49  -3.429  -9.381 -14.214
  517    HB3  GLU  49           HB1      GLU  49  -2.738  -7.858 -14.750
  518    HG2  GLU  49           HG2      GLU  49  -1.013  -7.965 -13.151
  519    HG3  GLU  49           HG1      GLU  49  -1.808  -9.273 -12.274
  Start of MODEL   11
    1    H1   MET -18           HT1      MET -18   0.874  -6.744 -26.332
    2    H2   MET -18           HT2      MET -18   2.060  -6.519 -25.148
    3    H3   MET -18           HT3      MET -18   1.644  -5.248 -26.174
    4    HA   MET -18           HA       MET -18   0.674  -4.899 -24.029
    5    HB2  MET -18           HB2      MET -18  -1.320  -5.678 -26.159
    6    HB3  MET -18           HB1      MET -18  -1.716  -4.753 -24.719
    7    HG2  MET -18           HG2      MET -18   0.222  -3.904 -26.859
    8    HG3  MET -18           HG1      MET -18  -1.439  -3.342 -26.697
    9    HE1  MET -18           HE1      MET -18  -0.641  -0.838 -26.735
   10    HE2  MET -18           HE2      MET -18   1.036  -1.362 -26.907
   11    HE3  MET -18           HE3      MET -18   0.603  -0.182 -25.670
   12    H    ALA -17           HN       ALA -17   0.536  -8.139 -25.097
   13    HA   ALA -17           HA       ALA -17  -1.473  -8.909 -23.131
   14    HB1  ALA -17           HB1      ALA -17  -1.614  -9.859 -25.376
   15    HB2  ALA -17           HB2      ALA -17  -1.372 -11.110 -24.157
   16    HB3  ALA -17           HB3      ALA -17  -0.023 -10.591 -25.167
   17    H    HIS -16           HN       HIS -16   1.286  -7.980 -22.374
   18    HA   HIS -16           HA       HIS -16   2.080 -10.398 -20.883
   19    HB2  HIS -16           HB2      HIS -16   3.822  -8.065 -21.710
   20    HB3  HIS -16           HB1      HIS -16   4.344  -9.401 -20.697
   21    HD1  HIS -16           HD1      HIS -16   5.129 -11.493 -21.857
   22    HD2  HIS -16           HD2      HIS -16   3.310  -8.803 -24.448
   23    HE1  HIS -16           HE1      HIS -16   5.568 -12.379 -24.167
   24    HE2  HIS -16           HE2      HIS -16   4.285 -10.845 -25.698
   25    H    HIS -15           HN       HIS -15   0.039  -8.399 -20.202
   26    HA   HIS -15           HA       HIS -15   1.217  -6.840 -18.060
   27    HB2  HIS -15           HB2      HIS -15  -1.547  -7.045 -19.214
   28    HB3  HIS -15           HB1      HIS -15  -1.290  -6.273 -17.655
   29    HD1  HIS -15           HD1      HIS -15  -1.403  -5.526 -21.163
   30    HD2  HIS -15           HD2      HIS -15   0.728  -4.085 -17.895
   31    HE1  HIS -15           HE1      HIS -15  -0.537  -3.271 -21.859
   32    HE2  HIS -15           HE2      HIS -15   0.852  -2.474 -19.914
   33    H    HIS -14           HN       HIS -14   0.865  -7.108 -15.901
   34    HA   HIS -14           HA       HIS -14  -0.746  -9.239 -14.874
   35    HB2  HIS -14           HB2      HIS -14   1.092 -10.517 -13.843
   36    HB3  HIS -14           HB1      HIS -14   1.185 -10.558 -15.597
   37    HD1  HIS -14           HD1      HIS -14   3.185  -9.935 -12.661
   38    HD2  HIS -14           HD2      HIS -14   3.230  -8.676 -16.619
   39    HE1  HIS -14           HE1      HIS -14   5.494  -9.022 -13.052
   40    HE2  HIS -14           HE2      HIS -14   5.534  -8.373 -15.485
   41    H    HIS -13           HN       HIS -13  -1.481  -8.616 -12.960
   42    HA   HIS -13           HA       HIS -13  -0.404  -6.184 -11.815
   43    HB2  HIS -13           HB2      HIS -13  -2.887  -7.800 -11.267
   44    HB3  HIS -13           HB1      HIS -13  -2.415  -6.441 -10.253
   45    HD1  HIS -13           HD1      HIS -13  -3.987  -7.283 -13.493
   46    HD2  HIS -13           HD2      HIS -13  -2.539  -3.904 -11.555
   47    HE1  HIS -13           HE1      HIS -13  -4.911  -5.324 -14.767
   48    HE2  HIS -13           HE2      HIS -13  -3.885  -3.298 -13.678
   49    H    HIS -12           HN       HIS -12   1.605  -7.316 -11.187
   50    HA   HIS -12           HA       HIS -12   1.395  -8.965  -8.801
   51    HB2  HIS -12           HB2      HIS -12   3.175  -9.244 -10.657
   52    HB3  HIS -12           HB1      HIS -12   3.954  -7.841  -9.934
   53    HD1  HIS -12           HD1      HIS -12   5.336  -8.230  -7.829
   54    HD2  HIS -12           HD2      HIS -12   3.109 -11.555  -8.973
   55    HE1  HIS -12           HE1      HIS -12   6.135 -10.117  -6.375
   56    HE2  HIS -12           HE2      HIS -12   4.679 -12.076  -6.983
   57    H    HIS -11           HN       HIS -11   1.821  -8.261  -6.742
   58    HA   HIS -11           HA       HIS -11   1.498  -5.433  -6.353
   59    HB2  HIS -11           HB2      HIS -11   0.371  -7.213  -4.964
   60    HB3  HIS -11           HB1      HIS -11   1.940  -7.541  -4.235
   61    HD1  HIS -11           HD1      HIS -11   2.371  -6.302  -2.144
   62    HD2  HIS -11           HD2      HIS -11  -0.354  -4.330  -4.585
   63    HE1  HIS -11           HE1      HIS -11   1.645  -4.275  -0.850
   64    HE2  HIS -11           HE2      HIS -11  -0.122  -3.189  -2.279
   65    H    SER -10           HN       SER -10   3.578  -4.958  -7.437
   66    HA   SER -10           HA       SER -10   5.707  -4.765  -5.426
   67    HB2  SER -10           HB2      SER -10   6.142  -5.535  -8.325
   68    HB3  SER -10           HB1      SER -10   7.404  -5.292  -7.118
   69    HG   SER -10           HG       SER -10   7.006  -7.194  -6.299
   70    H    SER  -9           HN       SER  -9   3.846  -2.770  -6.069
   71    HA   SER  -9           HA       SER  -9   5.544  -0.866  -7.534
   72    HB2  SER  -9           HB2      SER  -9   3.623  -1.550  -8.933
   73    HB3  SER  -9           HB1      SER  -9   2.523  -1.002  -7.667
   74    HG   SER  -9           HG       SER  -9   4.282   0.541  -9.264
   75    H    GLY  -8           HN       GLY  -8   6.367   0.251  -5.849
   76    HA2  GLY  -8           HA2      GLY  -8   6.352   2.119  -4.496
   77    HA3  GLY  -8           HA1      GLY  -8   4.615   2.229  -4.727
   78    H    LEU  -7           HN       LEU  -7   7.060   0.274  -3.010
   79    HA   LEU  -7           HA       LEU  -7   5.203   0.312  -0.728
   80    HB2  LEU  -7           HB2      LEU  -7   7.196  -1.896  -1.240
   81    HB3  LEU  -7           HB1      LEU  -7   5.974  -1.837   0.026
   82    HG   LEU  -7           HG       LEU  -7   4.318  -1.728  -2.024
   83   HD11  LEU  -7          HD11      LEU  -7   5.112  -3.110  -3.893
   84   HD12  LEU  -7          HD12      LEU  -7   6.732  -3.095  -3.198
   85   HD13  LEU  -7          HD13      LEU  -7   6.000  -1.593  -3.758
   86   HD21  LEU  -7          HD21      LEU  -7   5.699  -4.254  -1.144
   87   HD22  LEU  -7          HD22      LEU  -7   4.117  -4.153  -1.915
   88   HD23  LEU  -7          HD23      LEU  -7   4.362  -3.459  -0.312
   89    H    GLU  -6           HN       GLU  -6   6.683   2.424  -0.845
   90    HA   GLU  -6           HA       GLU  -6   8.307   2.062   1.526
   91    HB2  GLU  -6           HB2      GLU  -6   9.930   1.928  -0.342
   92    HB3  GLU  -6           HB1      GLU  -6   9.421   3.527  -0.868
   93    HG2  GLU  -6           HG2      GLU  -6  10.179   4.487   1.225
   94    HG3  GLU  -6           HG1      GLU  -6  10.634   2.888   1.810
   95    H    VAL  -5           HN       VAL  -5   6.659   3.118   2.583
   96    HA   VAL  -5           HA       VAL  -5   6.716   6.033   2.276
   97    HB   VAL  -5           HB       VAL  -5   4.606   5.364   1.244
   98   HG11  VAL  -5          HG11      VAL  -5   2.938   4.079   2.345
   99   HG12  VAL  -5          HG12      VAL  -5   3.910   3.992   3.814
  100   HG13  VAL  -5          HG13      VAL  -5   4.447   3.165   2.354
  101   HG21  VAL  -5          HG21      VAL  -5   4.183   6.491   3.988
  102   HG22  VAL  -5          HG22      VAL  -5   3.006   6.507   2.675
  103   HG23  VAL  -5          HG23      VAL  -5   4.523   7.393   2.509
  104    H    LEU  -4           HN       LEU  -4   7.314   6.926   4.150
  105    HA   LEU  -4           HA       LEU  -4   7.553   5.161   6.453
  106    HB2  LEU  -4           HB2      LEU  -4   9.365   6.743   5.403
  107    HB3  LEU  -4           HB1      LEU  -4   8.574   7.974   6.362
  108    HG   LEU  -4           HG       LEU  -4   9.761   5.445   7.510
  109   HD11  LEU  -4          HD11      LEU  -4  11.586   6.885   8.279
  110   HD12  LEU  -4          HD12      LEU  -4  10.892   8.234   7.381
  111   HD13  LEU  -4          HD13      LEU  -4  11.498   6.821   6.518
  112   HD21  LEU  -4          HD21      LEU  -4   9.582   6.616   9.646
  113   HD22  LEU  -4          HD22      LEU  -4   7.998   6.426   8.894
  114   HD23  LEU  -4          HD23      LEU  -4   8.820   7.985   8.839
  115    H    PHE  -3           HN       PHE  -3   6.244   8.375   5.697
  116    HA   PHE  -3           HA       PHE  -3   5.426   8.847   8.376
  117    HB2  PHE  -3           HB2      PHE  -3   4.378  10.888   7.490
  118    HB3  PHE  -3           HB1      PHE  -3   6.034  10.706   6.937
  119    HD1  PHE  -3           HD1      PHE  -3   6.416   9.829   4.580
  120    HD2  PHE  -3           HD2      PHE  -3   2.625  11.169   5.978
  121    HE1  PHE  -3           HE1      PHE  -3   5.666  10.128   2.256
  122    HE2  PHE  -3           HE2      PHE  -3   1.872  11.466   3.658
  123    HZ   PHE  -3           HZ       PHE  -3   3.391  10.946   1.792
  124    H    GLN  -2           HN       GLN  -2   3.602   8.493   9.386
  125    HA   GLN  -2           HA       GLN  -2   1.440   8.067   9.881
  126    HB2  GLN  -2           HB2      GLN  -2   0.966   9.044   7.064
  127    HB3  GLN  -2           HB1      GLN  -2  -0.272   8.852   8.298
  128    HG2  GLN  -2           HG2      GLN  -2   2.085  10.713   8.453
  129    HG3  GLN  -2           HG1      GLN  -2   0.430  11.173   8.063
  130   HE21  GLN  -2          HE21      GLN  -2  -1.121  11.178   9.684
  131   HE22  GLN  -2          HE22      GLN  -2  -0.699  11.152  11.359
  132    H    GLY  -1           HN       GLY  -1   2.217   5.728   9.817
  133    HA2  GLY  -1           HA2      GLY  -1   0.194   4.107   8.930
  134    HA3  GLY  -1           HA1      GLY  -1   1.330   4.141   7.596
  135    HA   PRO   0           HA       PRO   0   3.087   1.378  11.055
  136    HB2  PRO   0           HB2      PRO   0   1.267   0.013  12.437
  137    HB3  PRO   0           HB1      PRO   0   1.648   1.685  12.859
  138    HG2  PRO   0           HG2      PRO   0  -0.696   0.592  11.364
  139    HG3  PRO   0           HG1      PRO   0  -0.637   1.895  12.564
  140    HD2  PRO   0           HD2      PRO   0  -0.668   2.233   9.795
  141    HD3  PRO   0           HD1      PRO   0  -0.186   3.461  10.979
  142    H    ARG   1           HN       ARG   1   2.058  -1.234  11.609
  143    HA   ARG   1           HA       ARG   1   1.625  -2.362   8.920
  144    HB2  ARG   1           HB2      ARG   1   3.352  -3.448  11.153
  145    HB3  ARG   1           HB1      ARG   1   2.952  -4.338   9.692
  146    HG2  ARG   1           HG2      ARG   1   4.152  -2.796   8.333
  147    HG3  ARG   1           HG1      ARG   1   4.378  -1.692   9.691
  148    HD2  ARG   1           HD2      ARG   1   5.505  -4.480   9.492
  149    HD3  ARG   1           HD1      ARG   1   6.404  -2.992   9.196
  150    HE   ARG   1           HE       ARG   1   5.127  -3.260  11.801
  151   HH11  ARG   1          HH11      ARG   1   8.058  -3.556   9.910
  152   HH12  ARG   1          HH12      ARG   1   9.106  -3.422  11.285
  153   HH21  ARG   1          HH21      ARG   1   6.503  -3.096  13.610
  154   HH22  ARG   1          HH22      ARG   1   8.222  -3.179  13.390
  155    H    ARG   2           HN       ARG   2   1.085  -4.944   9.471
  156    HA   ARG   2           HA       ARG   2  -0.555  -5.371  11.745
  157    HB2  ARG   2           HB2      ARG   2  -1.942  -3.791  10.189
  158    HB3  ARG   2           HB1      ARG   2  -2.190  -5.242   9.241
  159    HG2  ARG   2           HG2      ARG   2  -3.256  -6.345  11.055
  160    HG3  ARG   2           HG1      ARG   2  -2.854  -5.012  12.124
  161    HD2  ARG   2           HD2      ARG   2  -4.231  -3.510  10.752
  162    HD3  ARG   2           HD1      ARG   2  -4.677  -4.880   9.739
  163    HE   ARG   2           HE       ARG   2  -5.320  -5.564  12.350
  164   HH11  ARG   2          HH11      ARG   2  -6.260  -3.148  10.008
  165   HH12  ARG   2          HH12      ARG   2  -7.879  -3.006  10.603
  166   HH21  ARG   2          HH21      ARG   2  -7.453  -5.375  13.151
  167   HH22  ARG   2          HH22      ARG   2  -8.561  -4.278  12.395
  168    H    ALA   3           HN       ALA   3   1.496  -6.534   9.885
  169    HA   ALA   3           HA       ALA   3   2.230  -8.578   9.244
  170    HB1  ALA   3           HB1      ALA   3   0.012  -9.604  10.996
  171    HB2  ALA   3           HB2      ALA   3   1.623  -9.135  11.536
  172    HB3  ALA   3           HB3      ALA   3   1.423 -10.510  10.451
  173    H    GLY   4           HN       GLY   4  -0.894 -10.096   9.489
  174    HA2  GLY   4           HA2      GLY   4  -0.722 -10.563   6.570
  175    HA3  GLY   4           HA1      GLY   4  -1.229 -11.766   7.738
  176    H    THR   5           HN       THR   5  -2.201  -8.427   6.852
  177    HA   THR   5           HA       THR   5  -4.994  -9.239   7.258
  178    HB   THR   5           HB       THR   5  -4.103  -6.401   6.732
  179    HG1  THR   5           HG1      THR   5  -3.263  -8.005   8.757
  180   HG21  THR   5          HG21      THR   5  -6.505  -6.729   6.956
  181   HG22  THR   5          HG22      THR   5  -5.920  -5.967   8.435
  182   HG23  THR   5          HG23      THR   5  -6.285  -7.683   8.422
  183    H    CYS   6           HN       CYS   6  -6.395  -7.585   5.648
  184    HA   CYS   6           HA       CYS   6  -5.398  -8.037   2.911
  185    HB2  CYS   6           HB2      CYS   6  -7.898  -7.983   2.336
  186    HB3  CYS   6           HB1      CYS   6  -7.295  -9.385   3.187
  187    HG   CYS   6           HG       CYS   6  -9.455  -7.030   4.217
  188    H    CYS   7           HN       CYS   7  -5.821  -6.409   1.329
  189    HA   CYS   7           HA       CYS   7  -5.715  -3.782   2.536
  190    HB2  CYS   7           HB2      CYS   7  -4.220  -4.265   0.634
  191    HB3  CYS   7           HB1      CYS   7  -5.589  -4.504  -0.404
  192    H    ALA   8           HN       ALA   8  -7.358  -2.403   2.808
  193    HA   ALA   8           HA       ALA   8 -10.026  -2.830   2.124
  194    HB1  ALA   8           HB1      ALA   8  -9.208  -1.310   3.924
  195    HB2  ALA   8           HB2      ALA   8 -10.436  -0.593   2.890
  196    HB3  ALA   8           HB3      ALA   8  -8.743  -0.160   2.671
  197    H    ASN   9           HN       ASN   9  -8.158  -2.849  -0.174
  198    HA   ASN   9           HA       ASN   9  -9.728  -1.345  -2.038
  199    HB2  ASN   9           HB2      ASN   9  -8.227   0.415  -1.398
  200    HB3  ASN   9           HB1      ASN   9  -6.806  -0.670  -1.565
  201   HD21  ASN   9          HD21      ASN   9  -5.896  -0.936  -3.531
  202   HD22  ASN   9          HD22      ASN   9  -6.405  -0.161  -4.969
  203    H    CYS  10           HN       CYS  10  -6.815  -3.360  -1.527
  204    HA   CYS  10           HA       CYS  10  -7.207  -4.374  -4.255
  205    HB2  CYS  10           HB2      CYS  10  -4.661  -4.778  -2.653
  206    HB3  CYS  10           HB1      CYS  10  -4.938  -4.886  -4.414
  207    H    GLN  11           HN       GLN  11  -7.889  -5.223  -1.143
  208    HA   GLN  11           HA       GLN  11  -7.909  -7.063   0.161
  209    HB2  GLN  11           HB2      GLN  11  -9.160  -7.727  -2.438
  210    HB3  GLN  11           HB1      GLN  11  -8.863  -9.068  -1.344
  211    HG2  GLN  11           HG2      GLN  11 -11.091  -8.262  -1.018
  212    HG3  GLN  11           HG1      GLN  11 -10.128  -7.892   0.406
  213   HE21  GLN  11          HE21      GLN  11  -9.974  -6.054  -2.591
  214   HE22  GLN  11          HE22      GLN  11 -10.694  -4.619  -1.951
  215    H    THR  12           HN       THR  12  -5.373  -6.826  -1.700
  216    HA   THR  12           HA       THR  12  -4.311  -9.417  -1.773
  217    HB   THR  12           HB       THR  12  -3.326  -7.364  -2.949
  218    HG1  THR  12           HG1      THR  12  -1.853  -8.856  -3.172
  219   HG21  THR  12          HG21      THR  12  -2.004  -6.954  -0.254
  220   HG22  THR  12          HG22      THR  12  -3.251  -5.899  -0.918
  221   HG23  THR  12          HG23      THR  12  -1.689  -6.041  -1.729
  222    H    THR  13           HN       THR  13  -2.881 -10.374  -0.365
  223    HA   THR  13           HA       THR  13  -2.901  -9.350   2.380
  224    HB   THR  13           HB       THR  13  -3.059 -11.751   3.145
  225    HG1  THR  13           HG1      THR  13  -3.665 -13.294   1.683
  226   HG21  THR  13          HG21      THR  13  -5.446 -10.809   1.563
  227   HG22  THR  13          HG22      THR  13  -4.946 -10.088   3.095
  228   HG23  THR  13          HG23      THR  13  -5.447 -11.786   3.034
  229    H    THR  14           HN       THR  14  -1.070  -9.500  -0.005
  230    HA   THR  14           HA       THR  14   1.210 -10.504   1.538
  231    HB   THR  14           HB       THR  14   0.923 -11.840  -0.523
  232    HG1  THR  14           HG1      THR  14   3.016 -11.396   0.436
  233   HG21  THR  14          HG21      THR  14   0.074 -10.461  -2.213
  234   HG22  THR  14          HG22      THR  14   1.759 -10.683  -2.677
  235   HG23  THR  14          HG23      THR  14   1.254  -9.188  -1.891
  236    H    THR  15           HN       THR  15   1.354  -8.568   2.614
  237    HA   THR  15           HA       THR  15   2.690  -6.451   1.158
  238    HB   THR  15           HB       THR  15   0.132  -5.721   2.649
  239    HG1  THR  15           HG1      THR  15   0.414  -6.682   0.215
  240   HG21  THR  15          HG21      THR  15   1.766  -3.994   2.827
  241   HG22  THR  15          HG22      THR  15   0.605  -3.517   1.593
  242   HG23  THR  15          HG23      THR  15   2.186  -4.136   1.124
  243    H    THR  16           HN       THR  16   4.230  -5.537   2.370
  244    HA   THR  16           HA       THR  16   4.548  -6.502   5.075
  245    HB   THR  16           HB       THR  16   6.427  -4.662   3.587
  246    HG1  THR  16           HG1      THR  16   5.686  -7.209   3.005
  247   HG21  THR  16          HG21      THR  16   6.877  -6.733   5.746
  248   HG22  THR  16          HG22      THR  16   6.889  -4.984   5.978
  249   HG23  THR  16          HG23      THR  16   8.124  -5.749   4.979
  250    H    LEU  17           HN       LEU  17   3.151  -3.763   3.661
  251    HA   LEU  17           HA       LEU  17   3.392  -2.329   6.276
  252    HB2  LEU  17           HB2      LEU  17   4.690  -1.290   4.193
  253    HB3  LEU  17           HB1      LEU  17   3.090  -0.738   3.760
  254    HG   LEU  17           HG       LEU  17   2.861   0.536   5.775
  255   HD11  LEU  17          HD11      LEU  17   5.465  -0.746   6.593
  256   HD12  LEU  17          HD12      LEU  17   3.901  -0.878   7.398
  257   HD13  LEU  17          HD13      LEU  17   4.768   0.656   7.398
  258   HD21  LEU  17          HD21      LEU  17   4.053   1.681   4.030
  259   HD22  LEU  17          HD22      LEU  17   5.569   0.921   4.512
  260   HD23  LEU  17          HD23      LEU  17   4.790   2.086   5.580
  261    H    TRP  18           HN       TRP  18   1.412  -2.518   7.131
  262    HA   TRP  18           HA       TRP  18  -0.879  -1.966   5.460
  263    HB2  TRP  18           HB2      TRP  18  -0.751  -3.180   8.210
  264    HB3  TRP  18           HB1      TRP  18  -2.193  -2.944   7.296
  265    HD1  TRP  18           HD1      TRP  18   0.688  -5.302   7.649
  266    HE1  TRP  18           HE1      TRP  18   0.322  -7.299   6.131
  267    HE3  TRP  18           HE3      TRP  18  -3.230  -3.563   4.886
  268    HZ2  TRP  18           HZ2      TRP  18  -1.373  -8.095   4.068
  269    HZ3  TRP  18           HZ3      TRP  18  -4.233  -5.036   3.176
  270    HH2  TRP  18           HH2      TRP  18  -3.314  -7.216   2.729
  271    H    ARG  19           HN       ARG  19  -0.795   0.247   5.385
  272    HA   ARG  19           HA       ARG  19  -0.895   1.859   7.843
  273    HB2  ARG  19           HB2      ARG  19  -1.602   3.357   5.490
  274    HB3  ARG  19           HB1      ARG  19  -0.119   3.438   6.427
  275    HG2  ARG  19           HG2      ARG  19   0.497   1.289   5.066
  276    HG3  ARG  19           HG1      ARG  19  -0.719   1.907   3.949
  277    HD2  ARG  19           HD2      ARG  19   1.535   2.648   3.314
  278    HD3  ARG  19           HD1      ARG  19   0.565   4.046   3.783
  279    HE   ARG  19           HE       ARG  19   2.527   2.747   5.579
  280   HH11  ARG  19          HH11      ARG  19   0.976   5.620   4.302
  281   HH12  ARG  19          HH12      ARG  19   1.972   6.708   5.215
  282   HH21  ARG  19          HH21      ARG  19   3.875   4.191   6.733
  283   HH22  ARG  19          HH22      ARG  19   3.614   5.901   6.582
  284    H    ARG  20           HN       ARG  20  -2.775   3.545   7.949
  285    HA   ARG  20           HA       ARG  20  -5.273   2.092   7.547
  286    HB2  ARG  20           HB2      ARG  20  -4.541   4.442   9.273
  287    HB3  ARG  20           HB1      ARG  20  -6.195   3.954   9.022
  288    HG2  ARG  20           HG2      ARG  20  -4.108   2.770  10.686
  289    HG3  ARG  20           HG1      ARG  20  -5.857   2.828  10.886
  290    HD2  ARG  20           HD2      ARG  20  -6.123   1.023   9.282
  291    HD3  ARG  20           HD1      ARG  20  -4.375   0.964   9.044
  292    HE   ARG  20           HE       ARG  20  -5.767   0.271  11.554
  293   HH11  ARG  20          HH11      ARG  20  -3.027  -0.060   9.389
  294   HH12  ARG  20          HH12      ARG  20  -2.230  -1.234  10.381
  295   HH21  ARG  20          HH21      ARG  20  -4.727  -1.271  12.849
  296   HH22  ARG  20          HH22      ARG  20  -3.199  -1.930  12.353
  297    H    ASN  21           HN       ASN  21  -7.019   2.951   6.478
  298    HA   ASN  21           HA       ASN  21  -6.480   5.303   4.830
  299    HB2  ASN  21           HB2      ASN  21  -8.340   4.779   3.452
  300    HB3  ASN  21           HB1      ASN  21  -7.581   3.207   3.829
  301   HD21  ASN  21          HD21      ASN  21  -9.735   2.390   3.122
  302   HD22  ASN  21          HD22      ASN  21 -11.051   2.428   4.218
  303    H    ALA  22           HN       ALA  22  -9.139   6.457   4.633
  304    HA   ALA  22           HA       ALA  22  -8.885   8.308   6.697
  305    HB1  ALA  22           HB1      ALA  22 -11.362   7.748   5.088
  306    HB2  ALA  22           HB2      ALA  22  -9.997   8.721   4.546
  307    HB3  ALA  22           HB3      ALA  22 -10.959   9.247   5.926
  308    H    ASN  23           HN       ASN  23 -10.538   5.259   6.820
  309    HA   ASN  23           HA       ASN  23 -12.192   6.139   9.069
  310    HB2  ASN  23           HB2      ASN  23 -13.293   4.982   7.137
  311    HB3  ASN  23           HB1      ASN  23 -12.315   3.580   7.536
  312   HD21  ASN  23          HD21      ASN  23 -14.505   2.492   7.772
  313   HD22  ASN  23          HD22      ASN  23 -15.310   2.662   9.286
  314    H    GLY  24           HN       GLY  24  -9.276   4.901   8.418
  315    HA2  GLY  24           HA2      GLY  24  -7.723   4.064   9.949
  316    HA3  GLY  24           HA1      GLY  24  -9.053   3.657  11.016
  317    H    ASP  25           HN       ASP  25  -9.138   2.795   7.661
  318    HA   ASP  25           HA       ASP  25  -9.353   0.024   8.432
  319    HB2  ASP  25           HB2      ASP  25  -9.511   1.261   5.698
  320    HB3  ASP  25           HB1      ASP  25 -10.024  -0.351   6.117
  321    HA   PRO  26           HA       PRO  26  -5.306  -1.049   7.163
  322    HB2  PRO  26           HB2      PRO  26  -5.694  -3.622   6.322
  323    HB3  PRO  26           HB1      PRO  26  -5.760  -3.124   8.038
  324    HG2  PRO  26           HG2      PRO  26  -7.960  -3.772   6.135
  325    HG3  PRO  26           HG1      PRO  26  -7.876  -4.008   7.900
  326    HD2  PRO  26           HD2      PRO  26  -9.231  -1.913   6.632
  327    HD3  PRO  26           HD1      PRO  26  -8.766  -1.955   8.307
  328    H    VAL  27           HN       VAL  27  -4.055  -0.638   5.428
  329    HA   VAL  27           HA       VAL  27  -5.048  -1.439   2.772
  330    HB   VAL  27           HB       VAL  27  -3.962   0.758   1.848
  331   HG11  VAL  27          HG11      VAL  27  -6.175   1.841   1.810
  332   HG12  VAL  27          HG12      VAL  27  -6.740   0.651   2.979
  333   HG13  VAL  27          HG13      VAL  27  -6.223   0.131   1.372
  334   HG21  VAL  27          HG21      VAL  27  -4.922   1.715   4.535
  335   HG22  VAL  27          HG22      VAL  27  -4.571   2.754   3.158
  336   HG23  VAL  27          HG23      VAL  27  -3.287   1.817   3.897
  337    H    CYS  28           HN       CYS  28  -3.468  -1.750   1.207
  338    HA   CYS  28           HA       CYS  28  -1.063  -2.768   2.325
  339    HB2  CYS  28           HB2      CYS  28  -0.736  -3.688   0.129
  340    HB3  CYS  28           HB1      CYS  28  -2.465  -3.637   0.338
  341    H    ASN  29           HN       ASN  29   1.204  -1.965   1.429
  342    HA   ASN  29           HA       ASN  29   1.629   0.580   2.234
  343    HB2  ASN  29           HB2      ASN  29   3.423  -1.075   1.863
  344    HB3  ASN  29           HB1      ASN  29   3.308  -0.811   0.116
  345   HD21  ASN  29          HD21      ASN  29   3.064   2.027   0.088
  346   HD22  ASN  29          HD22      ASN  29   4.568   2.629   0.616
  347    H    ALA  30           HN       ALA  30   1.197  -0.353  -1.162
  348    HA   ALA  30           HA       ALA  30   1.514   2.073  -2.338
  349    HB1  ALA  30           HB1      ALA  30  -0.503   0.037  -3.171
  350    HB2  ALA  30           HB2      ALA  30   1.215   0.008  -3.577
  351    HB3  ALA  30           HB3      ALA  30   0.189   1.321  -4.160
  352    H    CYS  31           HN       CYS  31  -1.463   0.866  -0.817
  353    HA   CYS  31           HA       CYS  31  -2.967   3.115  -1.817
  354    HB2  CYS  31           HB2      CYS  31  -3.870   0.974   0.069
  355    HB3  CYS  31           HB1      CYS  31  -4.869   2.184  -0.695
  356    H    GLY  32           HN       GLY  32  -1.653   2.151   1.285
  357    HA2  GLY  32           HA2      GLY  32  -2.580   4.549   2.599
  358    HA3  GLY  32           HA1      GLY  32  -1.283   3.474   3.194
  359    H    LEU  33           HN       LEU  33   0.199   3.723   0.645
  360    HA   LEU  33           HA       LEU  33   1.678   6.117   1.206
  361    HB2  LEU  33           HB2      LEU  33   2.668   4.052   0.257
  362    HB3  LEU  33           HB1      LEU  33   1.831   4.346  -1.233
  363    HG   LEU  33           HG       LEU  33   3.652   6.458  -0.260
  364   HD11  LEU  33          HD11      LEU  33   4.636   4.083  -1.831
  365   HD12  LEU  33          HD12      LEU  33   4.825   4.178  -0.085
  366   HD13  LEU  33          HD13      LEU  33   5.588   5.385  -1.118
  367   HD21  LEU  33          HD21      LEU  33   3.004   5.284  -2.939
  368   HD22  LEU  33          HD22      LEU  33   3.975   6.729  -2.645
  369   HD23  LEU  33          HD23      LEU  33   2.256   6.721  -2.247
  370    H    TYR  34           HN       TYR  34  -0.598   5.024  -1.279
  371    HA   TYR  34           HA       TYR  34  -0.299   7.289  -2.851
  372    HB2  TYR  34           HB2      TYR  34  -1.099   5.132  -3.741
  373    HB3  TYR  34           HB1      TYR  34  -2.547   5.275  -2.761
  374    HD1  TYR  34           HD1      TYR  34  -4.264   6.877  -3.347
  375    HD2  TYR  34           HD2      TYR  34  -0.857   6.290  -5.807
  376    HE1  TYR  34           HE1      TYR  34  -5.395   8.055  -5.173
  377    HE2  TYR  34           HE2      TYR  34  -1.975   7.473  -7.654
  378    HH   TYR  34           HH       TYR  34  -4.790   9.306  -7.224
  379    H    TYR  35           HN       TYR  35  -2.857   6.256  -0.649
  380    HA   TYR  35           HA       TYR  35  -4.479   8.510  -0.854
  381    HB2  TYR  35           HB2      TYR  35  -5.140   6.436   0.336
  382    HB3  TYR  35           HB1      TYR  35  -4.012   6.842   1.620
  383    HD1  TYR  35           HD1      TYR  35  -7.112   7.860  -0.007
  384    HD2  TYR  35           HD2      TYR  35  -4.538   8.421   3.287
  385    HE1  TYR  35           HE1      TYR  35  -8.842   9.166   1.064
  386    HE2  TYR  35           HE2      TYR  35  -6.246   9.742   4.404
  387    HH   TYR  35           HH       TYR  35  -9.490   9.852   3.350
  388    H    LYS  36           HN       LYS  36  -1.418   8.176   0.744
  389    HA   LYS  36           HA       LYS  36  -1.827  10.411   2.477
  390    HB2  LYS  36           HB2      LYS  36   0.400   8.598   1.800
  391    HB3  LYS  36           HB1      LYS  36   0.847  10.210   2.340
  392    HG2  LYS  36           HG2      LYS  36   0.650   8.467   4.133
  393    HG3  LYS  36           HG1      LYS  36  -0.204   9.971   4.388
  394    HD2  LYS  36           HD2      LYS  36  -2.266   8.816   3.504
  395    HD3  LYS  36           HD1      LYS  36  -1.352   7.311   3.611
  396    HE2  LYS  36           HE2      LYS  36  -2.676   7.544   5.597
  397    HE3  LYS  36           HE1      LYS  36  -0.980   7.771   6.020
  398    HZ1  LYS  36           HZ1      LYS  36  -2.974   9.933   5.606
  399    HZ2  LYS  36           HZ2      LYS  36  -1.347  10.171   5.993
  400    HZ3  LYS  36           HZ3      LYS  36  -2.375   9.413   7.097
  401    H    LEU  37           HN       LEU  37  -0.402   9.821  -0.629
  402    HA   LEU  37           HA       LEU  37   0.644  12.443  -0.941
  403    HB2  LEU  37           HB2      LEU  37  -0.055  10.689  -3.272
  404    HB3  LEU  37           HB1      LEU  37   1.312  11.782  -3.070
  405    HG   LEU  37           HG       LEU  37   1.023   9.231  -1.515
  406   HD11  LEU  37          HD11      LEU  37   1.023   8.547  -3.784
  407   HD12  LEU  37          HD12      LEU  37   2.658   8.314  -3.170
  408   HD13  LEU  37          HD13      LEU  37   2.295   9.698  -4.195
  409   HD21  LEU  37          HD21      LEU  37   3.411   9.430  -1.211
  410   HD22  LEU  37          HD22      LEU  37   2.615  10.907  -0.653
  411   HD23  LEU  37          HD23      LEU  37   3.440  10.884  -2.213
  412    H    HIS  38           HN       HIS  38  -2.341  10.786  -1.786
  413    HA   HIS  38           HA       HIS  38  -3.170  13.129  -3.365
  414    HB2  HIS  38           HB2      HIS  38  -3.510  10.194  -3.941
  415    HB3  HIS  38           HB1      HIS  38  -4.347  11.451  -4.837
  416    HD1  HIS  38           HD1      HIS  38  -2.379   9.610  -6.315
  417    HD2  HIS  38           HD2      HIS  38  -1.282  13.228  -4.600
  418    HE1  HIS  38           HE1      HIS  38  -0.228  10.272  -7.435
  419    HE2  HIS  38           HE2      HIS  38   0.347  12.524  -6.477
  420    H    ASN  39           HN       ASN  39  -3.979  11.394  -0.659
  421    HA   ASN  39           HA       ASN  39  -5.834  11.317   0.697
  422    HB2  ASN  39           HB2      ASN  39  -6.416  13.644  -1.022
  423    HB3  ASN  39           HB1      ASN  39  -7.658  13.083   0.056
  424   HD21  ASN  39          HD21      ASN  39  -5.704  12.350   2.217
  425   HD22  ASN  39          HD22      ASN  39  -5.151  13.853   2.850
  426    H    VAL  40           HN       VAL  40  -5.811   9.782  -1.841
  427    HA   VAL  40           HA       VAL  40  -8.544   8.874  -1.470
  428    HB   VAL  40           HB       VAL  40  -8.524   8.362  -4.081
  429   HG11  VAL  40          HG11      VAL  40  -9.435  10.945  -2.854
  430   HG12  VAL  40          HG12      VAL  40 -10.326   9.424  -2.888
  431   HG13  VAL  40          HG13      VAL  40  -9.993  10.285  -4.391
  432   HG21  VAL  40          HG21      VAL  40  -7.771  10.221  -5.391
  433   HG22  VAL  40          HG22      VAL  40  -6.416   9.580  -4.478
  434   HG23  VAL  40          HG23      VAL  40  -7.209  11.065  -3.945
  435    H    ASN  41           HN       ASN  41  -8.875   6.701  -2.365
  436    HA   ASN  41           HA       ASN  41  -6.663   5.076  -1.616
  437    HB2  ASN  41           HB2      ASN  41  -9.437   4.512  -2.589
  438    HB3  ASN  41           HB1      ASN  41  -8.241   3.236  -2.666
  439   HD21  ASN  41          HD21      ASN  41 -10.084   5.294  -0.613
  440   HD22  ASN  41          HD22      ASN  41  -9.818   4.427   0.855
  441    H    ARG  42           HN       ARG  42  -5.841   3.302  -3.101
  442    HA   ARG  42           HA       ARG  42  -4.950   4.702  -5.481
  443    HB2  ARG  42           HB2      ARG  42  -3.278   3.650  -3.987
  444    HB3  ARG  42           HB1      ARG  42  -3.936   2.090  -4.365
  445    HG2  ARG  42           HG2      ARG  42  -3.310   2.269  -6.652
  446    HG3  ARG  42           HG1      ARG  42  -2.866   3.962  -6.453
  447    HD2  ARG  42           HD2      ARG  42  -1.001   3.372  -5.069
  448    HD3  ARG  42           HD1      ARG  42  -1.510   1.683  -5.034
  449    HE   ARG  42           HE       ARG  42  -1.185   2.092  -7.654
  450   HH11  ARG  42          HH11      ARG  42   0.907   2.998  -4.996
  451   HH12  ARG  42          HH12      ARG  42   2.365   2.713  -5.887
  452   HH21  ARG  42          HH21      ARG  42   0.741   1.733  -8.823
  453   HH22  ARG  42          HH22      ARG  42   2.274   1.977  -8.050
  454    HA   PRO  43           HA       PRO  43  -7.876   2.240  -7.963
  455    HB2  PRO  43           HB2      PRO  43  -6.320   3.749 -10.022
  456    HB3  PRO  43           HB1      PRO  43  -8.066   3.487  -9.907
  457    HG2  PRO  43           HG2      PRO  43  -7.083   5.842  -9.255
  458    HG3  PRO  43           HG1      PRO  43  -8.319   5.088  -8.226
  459    HD2  PRO  43           HD2      PRO  43  -5.350   5.242  -7.810
  460    HD3  PRO  43           HD1      PRO  43  -6.696   5.504  -6.634
  461    H    LEU  44           HN       LEU  44  -7.301   0.207  -8.361
  462    HA   LEU  44           HA       LEU  44  -4.709  -0.465  -9.397
  463    HB2  LEU  44           HB2      LEU  44  -4.698   0.149  -6.811
  464    HB3  LEU  44           HB1      LEU  44  -5.217  -1.513  -6.662
  465    HG   LEU  44           HG       LEU  44  -3.169  -2.313  -7.641
  466   HD11  LEU  44          HD11      LEU  44  -2.780  -0.614  -9.320
  467   HD12  LEU  44          HD12      LEU  44  -1.369  -0.733  -8.271
  468   HD13  LEU  44          HD13      LEU  44  -2.506   0.600  -8.071
  469   HD21  LEU  44          HD21      LEU  44  -3.063  -1.906  -5.285
  470   HD22  LEU  44          HD22      LEU  44  -2.782  -0.178  -5.538
  471   HD23  LEU  44          HD23      LEU  44  -1.539  -1.352  -5.990
  472    H    THR  45           HN       THR  45  -6.884  -2.120  -7.173
  473    HA   THR  45           HA       THR  45  -7.676  -3.958  -9.298
  474    HB   THR  45           HB       THR  45  -7.337  -5.889  -7.650
  475    HG1  THR  45           HG1      THR  45  -5.273  -4.529  -6.429
  476   HG21  THR  45          HG21      THR  45  -4.990  -6.198  -8.233
  477   HG22  THR  45          HG22      THR  45  -4.852  -4.490  -8.650
  478   HG23  THR  45          HG23      THR  45  -5.884  -5.551  -9.609
  479    H    MET  46           HN       MET  46  -8.971  -5.770  -7.293
  480    HA   MET  46           HA       MET  46 -10.953  -3.952  -6.145
  481    HB2  MET  46           HB2      MET  46 -11.558  -4.894  -8.507
  482    HB3  MET  46           HB1      MET  46 -11.882  -6.387  -7.637
  483    HG2  MET  46           HG2      MET  46 -13.909  -5.077  -7.981
  484    HG3  MET  46           HG1      MET  46 -13.540  -5.265  -6.269
  485    HE1  MET  46           HE1      MET  46 -11.830  -2.786  -8.855
  486    HE2  MET  46           HE2      MET  46 -12.867  -1.373  -8.661
  487    HE3  MET  46           HE3      MET  46 -13.522  -2.860  -9.346
  488    H    LYS  47           HN       LYS  47 -12.597  -6.568  -5.759
  489    HA   LYS  47           HA       LYS  47 -11.434  -7.119  -3.169
  490    HB2  LYS  47           HB2      LYS  47 -13.932  -6.810  -3.682
  491    HB3  LYS  47           HB1      LYS  47 -13.877  -8.438  -4.338
  492    HG2  LYS  47           HG2      LYS  47 -13.225  -9.327  -2.198
  493    HG3  LYS  47           HG1      LYS  47 -13.119  -7.701  -1.521
  494    HD2  LYS  47           HD2      LYS  47 -15.548  -7.414  -2.036
  495    HD3  LYS  47           HD1      LYS  47 -15.596  -9.114  -2.501
  496    HE2  LYS  47           HE2      LYS  47 -14.977  -9.795  -0.283
  497    HE3  LYS  47           HE1      LYS  47 -14.716  -8.122   0.205
  498    HZ1  LYS  47           HZ1      LYS  47 -17.071  -7.699  -0.102
  499    HZ2  LYS  47           HZ2      LYS  47 -16.838  -8.967   0.993
  500    HZ3  LYS  47           HZ3      LYS  47 -17.324  -9.298  -0.590
  501    H    LYS  48           HN       LYS  48  -9.562  -7.969  -4.660
  502    HA   LYS  48           HA       LYS  48  -8.282  -9.671  -5.426
  503    HB2  LYS  48           HB2      LYS  48  -8.569 -10.408  -3.086
  504    HB3  LYS  48           HB1      LYS  48  -9.984 -11.337  -3.563
  505    HG2  LYS  48           HG2      LYS  48  -8.006 -12.750  -3.320
  506    HG3  LYS  48           HG1      LYS  48  -8.610 -12.753  -4.978
  507    HD2  LYS  48           HD2      LYS  48  -6.896 -11.068  -5.563
  508    HD3  LYS  48           HD1      LYS  48  -6.266 -11.173  -3.919
  509    HE2  LYS  48           HE2      LYS  48  -5.715 -13.500  -4.239
  510    HE3  LYS  48           HE1      LYS  48  -6.452 -13.487  -5.841
  511    HZ1  LYS  48           HZ1      LYS  48  -4.784 -11.847  -6.521
  512    HZ2  LYS  48           HZ2      LYS  48  -4.080 -13.300  -6.027
  513    HZ3  LYS  48           HZ3      LYS  48  -4.048 -11.959  -5.001
  514    H    GLU  49           HN       GLU  49  -9.000  -9.583  -7.549
  515    HA   GLU  49           HA       GLU  49 -11.286 -11.118  -8.405
  516    HB2  GLU  49           HB2      GLU  49  -9.196  -9.660 -10.030
  517    HB3  GLU  49           HB1      GLU  49 -10.732 -10.268 -10.629
  518    HG2  GLU  49           HG2      GLU  49 -10.487  -8.180  -8.480
  519    HG3  GLU  49           HG1      GLU  49 -10.662  -7.816 -10.193
  Start of MODEL   12
    1    H1   MET -18           HT1      MET -18  25.818  13.848 -10.114
    2    H2   MET -18           HT2      MET -18  25.926  14.895  -8.793
    3    H3   MET -18           HT3      MET -18  25.992  15.512 -10.360
    4    HA   MET -18           HA       MET -18  23.742  14.892 -10.779
    5    HB2  MET -18           HB2      MET -18  23.836  13.812  -7.957
    6    HB3  MET -18           HB1      MET -18  22.355  14.046  -8.872
    7    HG2  MET -18           HG2      MET -18  22.900  11.764  -9.044
    8    HG3  MET -18           HG1      MET -18  23.288  12.490 -10.600
    9    HE1  MET -18           HE1      MET -18  24.668  10.893  -7.308
   10    HE2  MET -18           HE2      MET -18  25.264  12.547  -7.174
   11    HE3  MET -18           HE3      MET -18  26.397  11.221  -7.430
   12    H    ALA -17           HN       ALA -17  24.711  15.937  -7.498
   13    HA   ALA -17           HA       ALA -17  24.171  17.749  -6.245
   14    HB1  ALA -17           HB1      ALA -17  25.392  18.941  -8.001
   15    HB2  ALA -17           HB2      ALA -17  24.070  19.916  -7.361
   16    HB3  ALA -17           HB3      ALA -17  23.899  19.115  -8.923
   17    H    HIS -16           HN       HIS -16  22.287  16.839  -5.418
   18    HA   HIS -16           HA       HIS -16  20.074  16.546  -5.013
   19    HB2  HIS -16           HB2      HIS -16  19.928  19.145  -6.546
   20    HB3  HIS -16           HB1      HIS -16  18.496  18.357  -5.896
   21    HD1  HIS -16           HD1      HIS -16  20.861  20.864  -5.049
   22    HD2  HIS -16           HD2      HIS -16  18.881  17.884  -2.932
   23    HE1  HIS -16           HE1      HIS -16  20.969  21.561  -2.640
   24    HE2  HIS -16           HE2      HIS -16  19.647  19.815  -1.392
   25    H    HIS -15           HN       HIS -15  17.856  17.123  -6.829
   26    HA   HIS -15           HA       HIS -15  16.721  16.156  -8.546
   27    HB2  HIS -15           HB2      HIS -15  19.462  15.890  -9.816
   28    HB3  HIS -15           HB1      HIS -15  17.925  15.713 -10.652
   29    HD1  HIS -15           HD1      HIS -15  20.282  18.274  -9.304
   30    HD2  HIS -15           HD2      HIS -15  16.578  18.130 -11.193
   31    HE1  HIS -15           HE1      HIS -15  19.808  20.628 -10.051
   32    HE2  HIS -15           HE2      HIS -15  17.495  20.540 -11.046
   33    H    HIS -14           HN       HIS -14  17.338  14.555  -6.389
   34    HA   HIS -14           HA       HIS -14  18.502  12.065  -7.210
   35    HB2  HIS -14           HB2      HIS -14  17.066  12.967  -4.723
   36    HB3  HIS -14           HB1      HIS -14  17.492  11.279  -4.969
   37    HD1  HIS -14           HD1      HIS -14  19.574  10.692  -3.816
   38    HD2  HIS -14           HD2      HIS -14  19.616  14.627  -5.137
   39    HE1  HIS -14           HE1      HIS -14  21.764  11.640  -3.032
   40    HE2  HIS -14           HE2      HIS -14  21.852  13.948  -4.033
   41    H    HIS -13           HN       HIS -13  17.347  11.209  -8.898
   42    HA   HIS -13           HA       HIS -13  14.541  10.817  -8.870
   43    HB2  HIS -13           HB2      HIS -13  16.786   9.472 -10.367
   44    HB3  HIS -13           HB1      HIS -13  15.122   8.934 -10.535
   45    HD1  HIS -13           HD1      HIS -13  13.742  10.123 -12.238
   46    HD2  HIS -13           HD2      HIS -13  17.141  12.270 -11.187
   47    HE1  HIS -13           HE1      HIS -13  13.820  12.078 -13.812
   48    HE2  HIS -13           HE2      HIS -13  15.757  13.467 -13.010
   49    H    HIS -12           HN       HIS -12  13.436   9.597  -7.518
   50    HA   HIS -12           HA       HIS -12  14.705   7.994  -5.576
   51    HB2  HIS -12           HB2      HIS -12  12.554   9.207  -5.239
   52    HB3  HIS -12           HB1      HIS -12  11.771   8.047  -6.305
   53    HD1  HIS -12           HD1      HIS -12  10.824   6.031  -5.211
   54    HD2  HIS -12           HD2      HIS -12  13.651   7.920  -2.819
   55    HE1  HIS -12           HE1      HIS -12  10.789   4.803  -3.021
   56    HE2  HIS -12           HE2      HIS -12  12.350   6.089  -1.524
   57    H    HIS -11           HN       HIS -11  15.780   6.250  -6.253
   58    HA   HIS -11           HA       HIS -11  14.397   4.319  -7.984
   59    HB2  HIS -11           HB2      HIS -11  17.338   4.560  -7.300
   60    HB3  HIS -11           HB1      HIS -11  16.641   3.326  -8.344
   61    HD1  HIS -11           HD1      HIS -11  18.735   5.803  -8.978
   62    HD2  HIS -11           HD2      HIS -11  14.790   5.325 -10.198
   63    HE1  HIS -11           HE1      HIS -11  18.490   7.213 -11.045
   64    HE2  HIS -11           HE2      HIS -11  16.141   6.776 -11.851
   65    H    SER -10           HN       SER -10  13.931   2.318  -7.283
   66    HA   SER -10           HA       SER -10  13.578   0.567  -5.894
   67    HB2  SER -10           HB2      SER -10  16.119   0.571  -5.861
   68    HB3  SER -10           HB1      SER -10  16.019   1.461  -4.343
   69    HG   SER -10           HG       SER -10  14.706  -1.020  -4.752
   70    H    SER  -9           HN       SER  -9  13.704   0.202  -3.191
   71    HA   SER  -9           HA       SER  -9  12.522   0.623  -1.298
   72    HB2  SER  -9           HB2      SER  -9  13.204   3.508  -1.915
   73    HB3  SER  -9           HB1      SER  -9  12.724   2.863  -0.346
   74    HG   SER  -9           HG       SER  -9  14.670   1.389  -0.785
   75    H    GLY  -8           HN       GLY  -8  10.808   0.042  -3.144
   76    HA2  GLY  -8           HA2      GLY  -8   9.003   2.149  -3.870
   77    HA3  GLY  -8           HA1      GLY  -8   8.767   0.433  -4.151
   78    H    LEU  -7           HN       LEU  -7   9.377   0.348  -1.050
   79    HA   LEU  -7           HA       LEU  -7   6.610   0.963  -0.240
   80    HB2  LEU  -7           HB2      LEU  -7   8.256  -1.272   0.942
   81    HB3  LEU  -7           HB1      LEU  -7   6.520  -1.009   1.084
   82    HG   LEU  -7           HG       LEU  -7   7.897  -1.764  -1.499
   83   HD11  LEU  -7          HD11      LEU  -7   8.197  -3.547   0.103
   84   HD12  LEU  -7          HD12      LEU  -7   6.980  -4.013  -1.084
   85   HD13  LEU  -7          HD13      LEU  -7   6.488  -3.493   0.527
   86   HD21  LEU  -7          HD21      LEU  -7   5.758  -0.625  -1.781
   87   HD22  LEU  -7          HD22      LEU  -7   4.995  -1.760  -0.667
   88   HD23  LEU  -7          HD23      LEU  -7   5.624  -2.330  -2.213
   89    H    GLU  -6           HN       GLU  -6   7.540   3.063   0.448
   90    HA   GLU  -6           HA       GLU  -6   9.091   2.792   2.936
   91    HB2  GLU  -6           HB2      GLU  -6   9.011   5.138   1.039
   92    HB3  GLU  -6           HB1      GLU  -6   9.872   5.110   2.572
   93    HG2  GLU  -6           HG2      GLU  -6  11.046   3.026   1.597
   94    HG3  GLU  -6           HG1      GLU  -6  10.459   3.628   0.049
   95    H    VAL  -5           HN       VAL  -5   7.334   5.636   1.773
   96    HA   VAL  -5           HA       VAL  -5   5.947   7.054   2.906
   97    HB   VAL  -5           HB       VAL  -5   4.421   5.646   1.673
   98   HG11  VAL  -5          HG11      VAL  -5   4.245   3.890   4.103
   99   HG12  VAL  -5          HG12      VAL  -5   5.038   3.478   2.583
  100   HG13  VAL  -5          HG13      VAL  -5   3.294   3.733   2.626
  101   HG21  VAL  -5          HG21      VAL  -5   3.384   6.371   4.393
  102   HG22  VAL  -5          HG22      VAL  -5   2.368   5.889   3.035
  103   HG23  VAL  -5          HG23      VAL  -5   3.350   7.351   2.925
  104    H    LEU  -4           HN       LEU  -4   7.761   6.861   4.628
  105    HA   LEU  -4           HA       LEU  -4   6.938   5.588   7.100
  106    HB2  LEU  -4           HB2      LEU  -4   9.279   5.493   6.290
  107    HB3  LEU  -4           HB1      LEU  -4   9.390   7.232   6.462
  108    HG   LEU  -4           HG       LEU  -4   9.052   6.990   8.906
  109   HD11  LEU  -4          HD11      LEU  -4   9.257   4.772   9.918
  110   HD12  LEU  -4          HD12      LEU  -4   9.215   4.040   8.313
  111   HD13  LEU  -4          HD13      LEU  -4   7.807   4.910   8.924
  112   HD21  LEU  -4          HD21      LEU  -4  11.299   7.133   7.979
  113   HD22  LEU  -4          HD22      LEU  -4  11.332   5.384   7.761
  114   HD23  LEU  -4          HD23      LEU  -4  11.265   6.069   9.384
  115    H    PHE  -3           HN       PHE  -3   5.013   7.235   6.830
  116    HA   PHE  -3           HA       PHE  -3   5.383   9.168   8.911
  117    HB2  PHE  -3           HB2      PHE  -3   4.590  11.123   7.565
  118    HB3  PHE  -3           HB1      PHE  -3   6.200  10.562   7.142
  119    HD1  PHE  -3           HD1      PHE  -3   6.575   9.370   5.015
  120    HD2  PHE  -3           HD2      PHE  -3   2.796  11.059   6.001
  121    HE1  PHE  -3           HE1      PHE  -3   5.906   9.243   2.652
  122    HE2  PHE  -3           HE2      PHE  -3   2.121  10.933   3.640
  123    HZ   PHE  -3           HZ       PHE  -3   3.674  10.024   1.962
  124    H    GLN  -2           HN       GLN  -2   3.765   6.841   8.485
  125    HA   GLN  -2           HA       GLN  -2   1.170   8.091   8.960
  126    HB2  GLN  -2           HB2      GLN  -2   0.920   7.464   6.675
  127    HB3  GLN  -2           HB1      GLN  -2   1.655   5.883   6.962
  128    HG2  GLN  -2           HG2      GLN  -2  -0.746   5.692   6.677
  129    HG3  GLN  -2           HG1      GLN  -2  -0.270   5.226   8.308
  130   HE21  GLN  -2          HE21      GLN  -2  -2.283   5.611   9.180
  131   HE22  GLN  -2          HE22      GLN  -2  -2.930   7.204   9.375
  132    H    GLY  -1           HN       GLY  -1   2.785   4.875   8.911
  133    HA2  GLY  -1           HA2      GLY  -1   2.486   4.381  11.634
  134    HA3  GLY  -1           HA1      GLY  -1   1.039   3.775  10.849
  135    HA   PRO   0           HA       PRO   0   4.414   0.541  10.651
  136    HB2  PRO   0           HB2      PRO   0   3.445  -1.238  12.394
  137    HB3  PRO   0           HB1      PRO   0   4.334   0.186  12.940
  138    HG2  PRO   0           HG2      PRO   0   1.381  -0.291  12.866
  139    HG3  PRO   0           HG1      PRO   0   2.364   0.444  14.146
  140    HD2  PRO   0           HD2      PRO   0   0.919   1.872  12.291
  141    HD3  PRO   0           HD1      PRO   0   2.347   2.496  13.140
  142    H    ARG   1           HN       ARG   1   3.339  -2.142  11.022
  143    HA   ARG   1           HA       ARG   1   1.499  -2.274   8.726
  144    HB2  ARG   1           HB2      ARG   1   2.473  -4.371   8.107
  145    HB3  ARG   1           HB1      ARG   1   3.789  -3.240   8.371
  146    HG2  ARG   1           HG2      ARG   1   4.172  -4.224  10.586
  147    HG3  ARG   1           HG1      ARG   1   2.873  -5.377  10.284
  148    HD2  ARG   1           HD2      ARG   1   5.480  -5.121   8.794
  149    HD3  ARG   1           HD1      ARG   1   4.965  -6.454   9.825
  150    HE   ARG   1           HE       ARG   1   3.428  -5.844   7.405
  151   HH11  ARG   1          HH11      ARG   1   5.568  -8.000   9.139
  152   HH12  ARG   1          HH12      ARG   1   5.332  -9.322   8.041
  153   HH21  ARG   1          HH21      ARG   1   3.120  -7.592   5.942
  154   HH22  ARG   1          HH22      ARG   1   3.949  -9.089   6.230
  155    H    ARG   2           HN       ARG   2   0.825  -5.004   9.023
  156    HA   ARG   2           HA       ARG   2  -0.351  -5.326  11.640
  157    HB2  ARG   2           HB2      ARG   2  -1.944  -3.820  10.306
  158    HB3  ARG   2           HB1      ARG   2  -2.205  -5.205   9.269
  159    HG2  ARG   2           HG2      ARG   2  -3.023  -6.500  11.140
  160    HG3  ARG   2           HG1      ARG   2  -2.743  -5.120  12.186
  161    HD2  ARG   2           HD2      ARG   2  -4.403  -3.825  11.061
  162    HD3  ARG   2           HD1      ARG   2  -4.573  -5.053   9.807
  163    HE   ARG   2           HE       ARG   2  -5.147  -6.331  12.170
  164   HH11  ARG   2          HH11      ARG   2  -6.451  -3.577  10.447
  165   HH12  ARG   2          HH12      ARG   2  -8.064  -3.817  11.034
  166   HH21  ARG   2          HH21      ARG   2  -7.261  -6.639  12.946
  167   HH22  ARG   2          HH22      ARG   2  -8.522  -5.554  12.459
  168    H    ALA   3           HN       ALA   3   1.555  -6.732  10.082
  169    HA   ALA   3           HA       ALA   3   2.192  -8.847   9.572
  170    HB1  ALA   3           HB1      ALA   3   1.040 -10.696  10.610
  171    HB2  ALA   3           HB2      ALA   3  -0.359  -9.674  10.937
  172    HB3  ALA   3           HB3      ALA   3   1.175  -9.348  11.737
  173    H    GLY   4           HN       GLY   4  -0.993 -10.176   9.315
  174    HA2  GLY   4           HA2      GLY   4  -0.577 -10.338   6.387
  175    HA3  GLY   4           HA1      GLY   4  -1.050 -11.718   7.360
  176    H    THR   5           HN       THR   5  -2.217  -8.360   7.204
  177    HA   THR   5           HA       THR   5  -4.962  -9.228   7.352
  178    HB   THR   5           HB       THR   5  -4.108  -6.410   6.698
  179    HG1  THR   5           HG1      THR   5  -3.530  -7.920   9.005
  180   HG21  THR   5          HG21      THR   5  -6.500  -6.728   6.967
  181   HG22  THR   5          HG22      THR   5  -5.909  -5.942   8.431
  182   HG23  THR   5          HG23      THR   5  -6.266  -7.657   8.445
  183    H    CYS   6           HN       CYS   6  -6.407  -7.659   5.701
  184    HA   CYS   6           HA       CYS   6  -5.385  -8.119   2.972
  185    HB2  CYS   6           HB2      CYS   6  -7.872  -8.204   2.375
  186    HB3  CYS   6           HB1      CYS   6  -7.210  -9.566   3.248
  187    HG   CYS   6           HG       CYS   6  -9.841  -7.921   3.970
  188    H    CYS   7           HN       CYS   7  -5.858  -6.520   1.373
  189    HA   CYS   7           HA       CYS   7  -5.781  -3.901   2.586
  190    HB2  CYS   7           HB2      CYS   7  -4.284  -4.371   0.679
  191    HB3  CYS   7           HB1      CYS   7  -5.655  -4.603  -0.363
  192    H    ALA   8           HN       ALA   8  -7.428  -2.529   2.870
  193    HA   ALA   8           HA       ALA   8 -10.097  -2.976   2.202
  194    HB1  ALA   8           HB1      ALA   8 -10.531  -0.751   2.979
  195    HB2  ALA   8           HB2      ALA   8  -8.841  -0.301   2.768
  196    HB3  ALA   8           HB3      ALA   8  -9.295  -1.470   4.003
  197    H    ASN   9           HN       ASN   9  -8.288  -3.000  -0.116
  198    HA   ASN   9           HA       ASN   9  -9.851  -1.480  -1.968
  199    HB2  ASN   9           HB2      ASN   9  -8.325   0.270  -1.288
  200    HB3  ASN   9           HB1      ASN   9  -6.916  -0.814  -1.530
  201   HD21  ASN   9          HD21      ASN   9  -6.179  -1.190  -3.595
  202   HD22  ASN   9          HD22      ASN   9  -6.689  -0.294  -4.962
  203    H    CYS  10           HN       CYS  10  -6.926  -3.477  -1.448
  204    HA   CYS  10           HA       CYS  10  -7.319  -4.525  -4.162
  205    HB2  CYS  10           HB2      CYS  10  -4.732  -4.807  -2.598
  206    HB3  CYS  10           HB1      CYS  10  -5.027  -4.932  -4.356
  207    H    GLN  11           HN       GLN  11  -7.947  -5.363  -1.046
  208    HA   GLN  11           HA       GLN  11  -7.917  -7.182   0.280
  209    HB2  GLN  11           HB2      GLN  11  -9.148  -7.961  -2.311
  210    HB3  GLN  11           HB1      GLN  11  -8.974  -9.180  -1.057
  211    HG2  GLN  11           HG2      GLN  11 -10.404  -6.548  -0.782
  212    HG3  GLN  11           HG1      GLN  11 -11.164  -8.124  -0.986
  213   HE21  GLN  11          HE21      GLN  11 -11.107  -9.602   0.721
  214   HE22  GLN  11          HE22      GLN  11 -10.786  -9.104   2.346
  215    H    THR  12           HN       THR  12  -5.387  -6.998  -1.605
  216    HA   THR  12           HA       THR  12  -4.371  -9.618  -1.603
  217    HB   THR  12           HB       THR  12  -3.350  -7.645  -2.876
  218    HG1  THR  12           HG1      THR  12  -2.291  -9.716  -2.521
  219   HG21  THR  12          HG21      THR  12  -2.068  -7.109  -0.176
  220   HG22  THR  12          HG22      THR  12  -3.257  -6.061  -0.950
  221   HG23  THR  12          HG23      THR  12  -1.674  -6.302  -1.693
  222    H    THR  13           HN       THR  13  -2.805 -10.470  -0.174
  223    HA   THR  13           HA       THR  13  -2.922  -9.344   2.534
  224    HB   THR  13           HB       THR  13  -2.843 -11.729   3.363
  225    HG1  THR  13           HG1      THR  13  -4.021 -12.735   1.108
  226   HG21  THR  13          HG21      THR  13  -5.210 -11.981   3.246
  227   HG22  THR  13          HG22      THR  13  -5.292 -11.084   1.729
  228   HG23  THR  13          HG23      THR  13  -4.883 -10.238   3.228
  229    H    THR  14           HN       THR  14  -1.074  -9.922  -0.013
  230    HA   THR  14           HA       THR  14   1.319 -10.577   1.506
  231    HB   THR  14           HB       THR  14   1.697 -10.048  -1.329
  232    HG1  THR  14           HG1      THR  14   0.219 -11.364  -2.168
  233   HG21  THR  14          HG21      THR  14   2.682 -12.266  -1.267
  234   HG22  THR  14          HG22      THR  14   1.984 -12.543   0.327
  235   HG23  THR  14          HG23      THR  14   3.231 -11.309   0.109
  236    H    THR  15           HN       THR  15   1.376  -8.552   2.632
  237    HA   THR  15           HA       THR  15   2.661  -6.493   1.068
  238    HB   THR  15           HB       THR  15   0.081  -5.755   2.511
  239    HG1  THR  15           HG1      THR  15   0.476  -6.684   0.083
  240   HG21  THR  15          HG21      THR  15   0.553  -3.524   1.551
  241   HG22  THR  15          HG22      THR  15   2.137  -4.102   1.056
  242   HG23  THR  15          HG23      THR  15   1.725  -4.018   2.767
  243    H    THR  16           HN       THR  16   4.160  -5.412   2.230
  244    HA   THR  16           HA       THR  16   4.647  -6.455   4.879
  245    HB   THR  16           HB       THR  16   6.413  -4.491   3.409
  246    HG1  THR  16           HG1      THR  16   6.511  -7.331   3.171
  247   HG21  THR  16          HG21      THR  16   8.190  -5.638   4.634
  248   HG22  THR  16          HG22      THR  16   7.004  -6.719   5.365
  249   HG23  THR  16          HG23      THR  16   6.980  -4.997   5.747
  250    H    LEU  17           HN       LEU  17   3.181  -3.632   3.600
  251    HA   LEU  17           HA       LEU  17   3.536  -2.303   6.255
  252    HB2  LEU  17           HB2      LEU  17   4.934  -1.377   4.232
  253    HB3  LEU  17           HB1      LEU  17   3.413  -0.653   3.760
  254    HG   LEU  17           HG       LEU  17   3.294   0.630   5.776
  255   HD11  LEU  17          HD11      LEU  17   4.233  -0.911   7.367
  256   HD12  LEU  17          HD12      LEU  17   5.185   0.574   7.393
  257   HD13  LEU  17          HD13      LEU  17   5.799  -0.853   6.561
  258   HD21  LEU  17          HD21      LEU  17   5.257   2.046   5.467
  259   HD22  LEU  17          HD22      LEU  17   4.601   1.527   3.912
  260   HD23  LEU  17          HD23      LEU  17   6.052   0.759   4.559
  261    H    TRP  18           HN       TRP  18   1.496  -2.776   6.973
  262    HA   TRP  18           HA       TRP  18  -0.802  -2.068   5.404
  263    HB2  TRP  18           HB2      TRP  18  -0.610  -3.278   8.159
  264    HB3  TRP  18           HB1      TRP  18  -2.080  -3.032   7.298
  265    HD1  TRP  18           HD1      TRP  18   0.798  -5.418   7.541
  266    HE1  TRP  18           HE1      TRP  18   0.354  -7.408   6.049
  267    HE3  TRP  18           HE3      TRP  18  -3.227  -3.660   4.922
  268    HZ2  TRP  18           HZ2      TRP  18  -1.393  -8.193   4.059
  269    HZ3  TRP  18           HZ3      TRP  18  -4.280  -5.143   3.250
  270    HH2  TRP  18           HH2      TRP  18  -3.379  -7.324   2.789
  271    H    ARG  19           HN       ARG  19  -0.808   0.150   5.318
  272    HA   ARG  19           HA       ARG  19  -0.874   1.765   7.792
  273    HB2  ARG  19           HB2      ARG  19  -1.642   3.233   5.414
  274    HB3  ARG  19           HB1      ARG  19  -0.195   3.402   6.401
  275    HG2  ARG  19           HG2      ARG  19   0.577   1.269   5.082
  276    HG3  ARG  19           HG1      ARG  19  -0.620   1.816   3.925
  277    HD2  ARG  19           HD2      ARG  19   1.628   2.623   3.404
  278    HD3  ARG  19           HD1      ARG  19   0.484   3.920   3.674
  279    HE   ARG  19           HE       ARG  19   2.267   4.653   4.917
  280   HH11  ARG  19          HH11      ARG  19   1.373   1.509   6.306
  281   HH12  ARG  19          HH12      ARG  19   2.547   1.634   7.562
  282   HH21  ARG  19          HH21      ARG  19   3.810   4.713   6.549
  283   HH22  ARG  19          HH22      ARG  19   3.901   3.416   7.706
  284    H    ARG  20           HN       ARG  20  -2.746   3.440   7.925
  285    HA   ARG  20           HA       ARG  20  -5.265   2.033   7.560
  286    HB2  ARG  20           HB2      ARG  20  -4.473   4.451   9.157
  287    HB3  ARG  20           HB1      ARG  20  -6.145   4.046   8.896
  288    HG2  ARG  20           HG2      ARG  20  -4.134   2.780  10.633
  289    HG3  ARG  20           HG1      ARG  20  -5.843   3.101  10.886
  290    HD2  ARG  20           HD2      ARG  20  -5.940   0.852  10.749
  291    HD3  ARG  20           HD1      ARG  20  -6.101   1.228   9.040
  292    HE   ARG  20           HE       ARG  20  -3.665   0.787   8.875
  293   HH11  ARG  20          HH11      ARG  20  -5.559  -0.624  11.461
  294   HH12  ARG  20          HH12      ARG  20  -4.376  -1.833  11.839
  295   HH21  ARG  20          HH21      ARG  20  -2.099  -0.839   9.367
  296   HH22  ARG  20          HH22      ARG  20  -2.426  -1.961  10.653
  297    H    ASN  21           HN       ASN  21  -7.005   2.873   6.455
  298    HA   ASN  21           HA       ASN  21  -6.447   5.082   4.630
  299    HB2  ASN  21           HB2      ASN  21  -8.323   4.473   3.322
  300    HB3  ASN  21           HB1      ASN  21  -7.619   2.918   3.836
  301   HD21  ASN  21          HD21      ASN  21  -9.862   2.306   3.089
  302   HD22  ASN  21          HD22      ASN  21 -11.140   2.383   4.236
  303    H    ALA  22           HN       ALA  22  -9.113   6.195   4.373
  304    HA   ALA  22           HA       ALA  22  -8.854   8.270   6.190
  305    HB1  ALA  22           HB1      ALA  22 -10.998   9.040   5.413
  306    HB2  ALA  22           HB2      ALA  22 -11.381   7.438   4.787
  307    HB3  ALA  22           HB3      ALA  22 -10.083   8.379   4.061
  308    H    ASN  23           HN       ASN  23 -10.538   5.238   6.683
  309    HA   ASN  23           HA       ASN  23 -11.985   6.394   8.959
  310    HB2  ASN  23           HB2      ASN  23 -13.254   5.238   7.057
  311    HB3  ASN  23           HB1      ASN  23 -12.575   3.761   7.695
  312   HD21  ASN  23          HD21      ASN  23 -14.757   6.363   8.260
  313   HD22  ASN  23          HD22      ASN  23 -15.619   5.610   9.550
  314    H    GLY  24           HN       GLY  24  -9.220   5.021   8.305
  315    HA2  GLY  24           HA2      GLY  24  -7.686   4.118   9.806
  316    HA3  GLY  24           HA1      GLY  24  -9.010   3.820  10.917
  317    H    ASP  25           HN       ASP  25  -9.099   2.809   7.583
  318    HA   ASP  25           HA       ASP  25  -9.350   0.063   8.467
  319    HB2  ASP  25           HB2      ASP  25  -9.566   1.243   5.713
  320    HB3  ASP  25           HB1      ASP  25  -9.962  -0.396   6.129
  321    HA   PRO  26           HA       PRO  26  -5.303  -1.086   7.201
  322    HB2  PRO  26           HB2      PRO  26  -5.715  -3.682   6.431
  323    HB3  PRO  26           HB1      PRO  26  -5.736  -3.129   8.135
  324    HG2  PRO  26           HG2      PRO  26  -7.986  -3.851   6.327
  325    HG3  PRO  26           HG1      PRO  26  -7.862  -3.984   8.101
  326    HD2  PRO  26           HD2      PRO  26  -9.230  -1.951   6.727
  327    HD3  PRO  26           HD1      PRO  26  -8.765  -1.920   8.399
  328    H    VAL  27           HN       VAL  27  -4.047  -0.769   5.447
  329    HA   VAL  27           HA       VAL  27  -5.093  -1.586   2.817
  330    HB   VAL  27           HB       VAL  27  -4.043   0.604   1.845
  331   HG11  VAL  27          HG11      VAL  27  -6.324  -0.033   1.443
  332   HG12  VAL  27          HG12      VAL  27  -6.245   1.688   1.832
  333   HG13  VAL  27          HG13      VAL  27  -6.792   0.535   3.048
  334   HG21  VAL  27          HG21      VAL  27  -3.305   1.693   3.846
  335   HG22  VAL  27          HG22      VAL  27  -4.903   1.568   4.560
  336   HG23  VAL  27          HG23      VAL  27  -4.637   2.611   3.168
  337    H    CYS  28           HN       CYS  28  -3.537  -1.908   1.236
  338    HA   CYS  28           HA       CYS  28  -1.047  -2.828   2.224
  339    HB2  CYS  28           HB2      CYS  28  -0.831  -3.720  -0.001
  340    HB3  CYS  28           HB1      CYS  28  -2.549  -3.658   0.269
  341    H    ASN  29           HN       ASN  29   1.114  -1.978   0.932
  342    HA   ASN  29           HA       ASN  29   1.567   0.504   2.022
  343    HB2  ASN  29           HB2      ASN  29   3.350  -1.165   1.367
  344    HB3  ASN  29           HB1      ASN  29   3.195  -0.583  -0.309
  345   HD21  ASN  29          HD21      ASN  29   2.838   2.149   0.177
  346   HD22  ASN  29          HD22      ASN  29   4.316   2.747   0.776
  347    H    ALA  30           HN       ALA  30   1.076  -0.177  -1.449
  348    HA   ALA  30           HA       ALA  30   1.396   2.378  -2.386
  349    HB1  ALA  30           HB1      ALA  30  -0.489   0.319  -3.461
  350    HB2  ALA  30           HB2      ALA  30   1.217   0.500  -3.876
  351    HB3  ALA  30           HB3      ALA  30   0.062   1.767  -4.300
  352    H    CYS  31           HN       CYS  31  -1.526   0.912  -1.065
  353    HA   CYS  31           HA       CYS  31  -3.201   3.093  -1.774
  354    HB2  CYS  31           HB2      CYS  31  -3.631   0.838   0.110
  355    HB3  CYS  31           HB1      CYS  31  -4.850   2.013  -0.299
  356    H    GLY  32           HN       GLY  32  -1.663   2.170   1.280
  357    HA2  GLY  32           HA2      GLY  32  -2.629   4.559   2.581
  358    HA3  GLY  32           HA1      GLY  32  -1.340   3.490   3.191
  359    H    LEU  33           HN       LEU  33   0.144   3.796   0.599
  360    HA   LEU  33           HA       LEU  33   1.616   6.151   1.338
  361    HB2  LEU  33           HB2      LEU  33   2.639   4.096   0.298
  362    HB3  LEU  33           HB1      LEU  33   1.897   4.560  -1.203
  363    HG   LEU  33           HG       LEU  33   3.606   6.591   0.019
  364   HD11  LEU  33          HD11      LEU  33   4.832   4.408   0.387
  365   HD12  LEU  33          HD12      LEU  33   5.659   5.558  -0.661
  366   HD13  LEU  33          HD13      LEU  33   4.800   4.188  -1.361
  367   HD21  LEU  33          HD21      LEU  33   3.366   5.433  -2.738
  368   HD22  LEU  33          HD22      LEU  33   4.196   6.927  -2.295
  369   HD23  LEU  33          HD23      LEU  33   2.442   6.807  -2.139
  370    H    TYR  34           HN       TYR  34  -0.557   5.220  -1.311
  371    HA   TYR  34           HA       TYR  34  -0.052   7.632  -2.666
  372    HB2  TYR  34           HB2      TYR  34  -0.543   5.631  -3.925
  373    HB3  TYR  34           HB1      TYR  34  -2.089   5.456  -3.123
  374    HD1  TYR  34           HD1      TYR  34  -3.923   7.073  -3.607
  375    HD2  TYR  34           HD2      TYR  34  -0.317   6.929  -5.848
  376    HE1  TYR  34           HE1      TYR  34  -5.039   8.196  -5.471
  377    HE2  TYR  34           HE2      TYR  34  -1.420   8.084  -7.713
  378    HH   TYR  34           HH       TYR  34  -3.760   8.354  -8.568
  379    H    TYR  35           HN       TYR  35  -2.758   6.338  -0.766
  380    HA   TYR  35           HA       TYR  35  -4.443   8.564  -1.049
  381    HB2  TYR  35           HB2      TYR  35  -5.199   6.453  -0.013
  382    HB3  TYR  35           HB1      TYR  35  -4.147   6.761   1.358
  383    HD1  TYR  35           HD1      TYR  35  -7.073   8.097  -0.443
  384    HD2  TYR  35           HD2      TYR  35  -4.832   8.046   3.138
  385    HE1  TYR  35           HE1      TYR  35  -8.879   9.272   0.694
  386    HE2  TYR  35           HE2      TYR  35  -6.623   9.181   4.323
  387    HH   TYR  35           HH       TYR  35  -8.507  10.688   3.775
  388    H    LYS  36           HN       LYS  36  -1.516   8.216   0.777
  389    HA   LYS  36           HA       LYS  36  -2.166  10.339   2.598
  390    HB2  LYS  36           HB2      LYS  36   0.188   8.595   2.089
  391    HB3  LYS  36           HB1      LYS  36   0.414  10.083   3.001
  392    HG2  LYS  36           HG2      LYS  36  -0.128   7.874   4.253
  393    HG3  LYS  36           HG1      LYS  36  -0.831   9.378   4.783
  394    HD2  LYS  36           HD2      LYS  36  -2.839   8.735   3.314
  395    HD3  LYS  36           HD1      LYS  36  -2.122   7.127   3.281
  396    HE2  LYS  36           HE2      LYS  36  -3.748   7.146   5.005
  397    HE3  LYS  36           HE1      LYS  36  -2.160   7.139   5.769
  398    HZ1  LYS  36           HZ1      LYS  36  -3.757   8.690   6.794
  399    HZ2  LYS  36           HZ2      LYS  36  -3.797   9.581   5.361
  400    HZ3  LYS  36           HZ3      LYS  36  -2.360   9.456   6.237
  401    H    LEU  37           HN       LEU  37  -0.470   9.934  -0.375
  402    HA   LEU  37           HA       LEU  37   0.677  12.556  -0.378
  403    HB2  LEU  37           HB2      LEU  37   0.225  10.941  -2.867
  404    HB3  LEU  37           HB1      LEU  37   1.550  12.036  -2.478
  405    HG   LEU  37           HG       LEU  37   1.144   9.392  -1.115
  406   HD11  LEU  37          HD11      LEU  37   2.965   8.595  -2.609
  407   HD12  LEU  37          HD12      LEU  37   2.739  10.052  -3.576
  408   HD13  LEU  37          HD13      LEU  37   1.428   8.879  -3.418
  409   HD21  LEU  37          HD21      LEU  37   3.478   9.620  -0.524
  410   HD22  LEU  37          HD22      LEU  37   2.568  11.024   0.046
  411   HD23  LEU  37          HD23      LEU  37   3.571  11.147  -1.402
  412    H    HIS  38           HN       HIS  38  -2.220  11.012  -1.597
  413    HA   HIS  38           HA       HIS  38  -2.821  13.416  -3.188
  414    HB2  HIS  38           HB2      HIS  38  -3.122  10.502  -3.876
  415    HB3  HIS  38           HB1      HIS  38  -3.883  11.776  -4.812
  416    HD1  HIS  38           HD1      HIS  38  -1.773  10.014  -6.175
  417    HD2  HIS  38           HD2      HIS  38  -0.861  13.554  -4.213
  418    HE1  HIS  38           HE1      HIS  38   0.482  10.710  -7.040
  419    HE2  HIS  38           HE2      HIS  38   0.901  12.963  -6.006
  420    H    ASN  39           HN       ASN  39  -3.911  11.732  -0.599
  421    HA   ASN  39           HA       ASN  39  -5.870  11.689   0.590
  422    HB2  ASN  39           HB2      ASN  39  -6.676  13.793  -1.365
  423    HB3  ASN  39           HB1      ASN  39  -7.532  13.402   0.101
  424   HD21  ASN  39          HD21      ASN  39  -6.737  16.050  -0.081
  425   HD22  ASN  39          HD22      ASN  39  -5.381  16.325   0.947
  426    H    VAL  40           HN       VAL  40  -5.606  10.104  -1.985
  427    HA   VAL  40           HA       VAL  40  -8.413   9.367  -1.991
  428    HB   VAL  40           HB       VAL  40  -8.138   8.924  -4.582
  429   HG11  VAL  40          HG11      VAL  40  -9.339  11.017  -4.985
  430   HG12  VAL  40          HG12      VAL  40  -8.905  11.555  -3.362
  431   HG13  VAL  40          HG13      VAL  40  -9.942  10.146  -3.577
  432   HG21  VAL  40          HG21      VAL  40  -5.872   9.928  -4.682
  433   HG22  VAL  40          HG22      VAL  40  -6.582  11.480  -4.223
  434   HG23  VAL  40          HG23      VAL  40  -7.037  10.702  -5.745
  435    H    ASN  41           HN       ASN  41  -8.814   7.277  -3.015
  436    HA   ASN  41           HA       ASN  41  -6.955   5.398  -2.009
  437    HB2  ASN  41           HB2      ASN  41  -9.554   5.194  -3.466
  438    HB3  ASN  41           HB1      ASN  41  -8.496   3.801  -3.468
  439   HD21  ASN  41          HD21      ASN  41 -10.322   5.982  -1.466
  440   HD22  ASN  41          HD22      ASN  41 -10.392   4.961  -0.074
  441    H    ARG  42           HN       ARG  42  -6.042   3.601  -3.369
  442    HA   ARG  42           HA       ARG  42  -4.527   4.917  -5.472
  443    HB2  ARG  42           HB2      ARG  42  -3.702   3.431  -3.442
  444    HB3  ARG  42           HB1      ARG  42  -3.961   2.140  -4.565
  445    HG2  ARG  42           HG2      ARG  42  -2.159   4.502  -4.998
  446    HG3  ARG  42           HG1      ARG  42  -1.649   2.871  -4.577
  447    HD2  ARG  42           HD2      ARG  42  -2.567   2.053  -6.699
  448    HD3  ARG  42           HD1      ARG  42  -3.057   3.695  -7.115
  449    HE   ARG  42           HE       ARG  42  -0.286   3.585  -6.505
  450   HH11  ARG  42          HH11      ARG  42  -2.572   2.797  -9.043
  451   HH12  ARG  42          HH12      ARG  42  -1.403   2.980 -10.313
  452   HH21  ARG  42          HH21      ARG  42   1.241   3.804  -8.167
  453   HH22  ARG  42          HH22      ARG  42   0.769   3.538  -9.816
  454    HA   PRO  43           HA       PRO  43  -7.227   2.758  -8.472
  455    HB2  PRO  43           HB2      PRO  43  -5.203   4.125 -10.201
  456    HB3  PRO  43           HB1      PRO  43  -6.959   4.024 -10.396
  457    HG2  PRO  43           HG2      PRO  43  -5.902   6.275  -9.528
  458    HG3  PRO  43           HG1      PRO  43  -7.359   5.628  -8.746
  459    HD2  PRO  43           HD2      PRO  43  -4.506   5.512  -7.820
  460    HD3  PRO  43           HD1      PRO  43  -6.008   5.879  -6.885
  461    H    LEU  44           HN       LEU  44  -6.784   0.685  -8.796
  462    HA   LEU  44           HA       LEU  44  -4.171  -0.278  -9.443
  463    HB2  LEU  44           HB2      LEU  44  -4.305   0.494  -6.926
  464    HB3  LEU  44           HB1      LEU  44  -5.082  -1.057  -6.716
  465    HG   LEU  44           HG       LEU  44  -3.078  -2.198  -7.528
  466   HD11  LEU  44          HD11      LEU  44  -2.228  -0.565  -9.089
  467   HD12  LEU  44          HD12      LEU  44  -1.002  -0.873  -7.860
  468   HD13  LEU  44          HD13      LEU  44  -1.973   0.598  -7.789
  469   HD21  LEU  44          HD21      LEU  44  -1.558  -1.499  -5.656
  470   HD22  LEU  44          HD22      LEU  44  -3.217  -1.848  -5.168
  471   HD23  LEU  44          HD23      LEU  44  -2.677  -0.171  -5.327
  472    H    THR  45           HN       THR  45  -6.751  -1.501  -7.390
  473    HA   THR  45           HA       THR  45  -7.554  -3.403  -9.448
  474    HB   THR  45           HB       THR  45  -7.673  -5.201  -7.605
  475    HG1  THR  45           HG1      THR  45  -5.627  -3.696  -6.357
  476   HG21  THR  45          HG21      THR  45  -6.016  -5.292  -9.410
  477   HG22  THR  45          HG22      THR  45  -5.330  -5.865  -7.890
  478   HG23  THR  45          HG23      THR  45  -4.936  -4.251  -8.482
  479    H    MET  46           HN       MET  46  -9.321  -4.830  -7.555
  480    HA   MET  46           HA       MET  46 -10.998  -2.683  -6.519
  481    HB2  MET  46           HB2      MET  46 -11.830  -3.109  -8.796
  482    HB3  MET  46           HB1      MET  46 -12.013  -4.815  -8.415
  483    HG2  MET  46           HG2      MET  46 -14.133  -3.579  -8.353
  484    HG3  MET  46           HG1      MET  46 -13.729  -4.330  -6.812
  485    HE1  MET  46           HE1      MET  46 -15.488  -2.870  -5.533
  486    HE2  MET  46           HE2      MET  46 -15.972  -2.095  -7.040
  487    HE3  MET  46           HE3      MET  46 -15.579  -1.112  -5.631
  488    H    LYS  47           HN       LYS  47 -12.600  -3.439  -5.008
  489    HA   LYS  47           HA       LYS  47 -11.649  -4.952  -2.981
  490    HB2  LYS  47           HB2      LYS  47 -13.668  -3.535  -2.864
  491    HB3  LYS  47           HB1      LYS  47 -14.560  -4.748  -3.771
  492    HG2  LYS  47           HG2      LYS  47 -15.099  -4.948  -1.448
  493    HG3  LYS  47           HG1      LYS  47 -14.158  -6.356  -1.936
  494    HD2  LYS  47           HD2      LYS  47 -12.135  -5.277  -1.005
  495    HD3  LYS  47           HD1      LYS  47 -13.137  -3.939  -0.446
  496    HE2  LYS  47           HE2      LYS  47 -13.399  -6.824   0.394
  497    HE3  LYS  47           HE1      LYS  47 -12.684  -5.530   1.352
  498    HZ1  LYS  47           HZ1      LYS  47 -15.520  -5.707   0.481
  499    HZ2  LYS  47           HZ2      LYS  47 -14.849  -4.411   1.337
  500    HZ3  LYS  47           HZ3      LYS  47 -14.934  -5.940   2.052
  501    H    LYS  48           HN       LYS  48 -13.827  -6.191  -5.526
  502    HA   LYS  48           HA       LYS  48 -12.611  -8.823  -5.059
  503    HB2  LYS  48           HB2      LYS  48 -14.865  -8.766  -4.043
  504    HB3  LYS  48           HB1      LYS  48 -15.546  -8.334  -5.604
  505    HG2  LYS  48           HG2      LYS  48 -14.985 -10.452  -6.527
  506    HG3  LYS  48           HG1      LYS  48 -14.018 -10.877  -5.117
  507    HD2  LYS  48           HD2      LYS  48 -16.195 -12.002  -5.096
  508    HD3  LYS  48           HD1      LYS  48 -16.017 -10.902  -3.730
  509    HE2  LYS  48           HE2      LYS  48 -17.352  -9.227  -4.884
  510    HE3  LYS  48           HE1      LYS  48 -17.488 -10.281  -6.290
  511    HZ1  LYS  48           HZ1      LYS  48 -19.457 -10.341  -4.852
  512    HZ2  LYS  48           HZ2      LYS  48 -18.515 -10.935  -3.582
  513    HZ3  LYS  48           HZ3      LYS  48 -18.719 -11.856  -4.984
  514    H    GLU  49           HN       GLU  49 -11.274  -7.862  -6.860
  515    HA   GLU  49           HA       GLU  49 -10.527  -8.181  -8.965
  516    HB2  GLU  49           HB2      GLU  49 -11.486 -10.449  -8.656
  517    HB3  GLU  49           HB1      GLU  49 -12.992  -9.880  -9.357
  518    HG2  GLU  49           HG2      GLU  49 -11.951  -9.516 -11.473
  519    HG3  GLU  49           HG1      GLU  49 -10.354  -9.836 -10.797
  Start of MODEL   13
    1    H1   MET -18           HT1      MET -18   4.866  -8.055 -15.566
    2    H2   MET -18           HT2      MET -18   5.572  -6.719 -14.814
    3    H3   MET -18           HT3      MET -18   6.137  -8.273 -14.474
    4    HA   MET -18           HA       MET -18   6.907  -8.529 -16.734
    5    HB2  MET -18           HB2      MET -18   5.157  -6.946 -17.648
    6    HB3  MET -18           HB1      MET -18   6.160  -5.621 -17.079
    7    HG2  MET -18           HG2      MET -18   6.534  -5.973 -19.422
    8    HG3  MET -18           HG1      MET -18   7.984  -6.414 -18.522
    9    HE1  MET -18           HE1      MET -18   4.651  -8.523 -18.873
   10    HE2  MET -18           HE2      MET -18   5.020  -9.472 -20.313
   11    HE3  MET -18           HE3      MET -18   4.830  -7.723 -20.435
   12    H    ALA -17           HN       ALA -17   7.229  -6.415 -14.101
   13    HA   ALA -17           HA       ALA -17   9.610  -5.057 -14.850
   14    HB1  ALA -17           HB1      ALA -17   9.702  -4.336 -12.534
   15    HB2  ALA -17           HB2      ALA -17   8.481  -5.532 -12.096
   16    HB3  ALA -17           HB3      ALA -17   8.063  -4.191 -13.162
   17    H    HIS -16           HN       HIS -16  11.211  -6.448 -15.481
   18    HA   HIS -16           HA       HIS -16  12.248  -8.267 -13.409
   19    HB2  HIS -16           HB2      HIS -16  12.542  -8.276 -16.404
   20    HB3  HIS -16           HB1      HIS -16  13.648  -9.171 -15.371
   21    HD1  HIS -16           HD1      HIS -16  12.842 -11.373 -14.422
   22    HD2  HIS -16           HD2      HIS -16   9.863  -9.274 -16.418
   23    HE1  HIS -16           HE1      HIS -16  10.932 -12.986 -14.667
   24    HE2  HIS -16           HE2      HIS -16   9.211 -11.747 -16.028
   25    H    HIS -15           HN       HIS -15  13.125  -5.695 -15.663
   26    HA   HIS -15           HA       HIS -15  15.664  -5.366 -14.197
   27    HB2  HIS -15           HB2      HIS -15  14.941  -4.558 -17.021
   28    HB3  HIS -15           HB1      HIS -15  16.429  -4.084 -16.216
   29    HD1  HIS -15           HD1      HIS -15  16.016  -5.953 -18.835
   30    HD2  HIS -15           HD2      HIS -15  17.093  -7.143 -14.998
   31    HE1  HIS -15           HE1      HIS -15  17.246  -8.127 -19.121
   32    HE2  HIS -15           HE2      HIS -15  17.966  -8.782 -16.798
   33    H    HIS -14           HN       HIS -14  13.902  -4.350 -12.723
   34    HA   HIS -14           HA       HIS -14  12.932  -2.541 -11.771
   35    HB2  HIS -14           HB2      HIS -14  14.903  -1.078 -13.536
   36    HB3  HIS -14           HB1      HIS -14  13.854  -0.259 -12.384
   37    HD1  HIS -14           HD1      HIS -14  17.030  -2.103 -12.649
   38    HD2  HIS -14           HD2      HIS -14  14.433  -0.902  -9.633
   39    HE1  HIS -14           HE1      HIS -14  18.336  -2.304 -10.514
   40    HE2  HIS -14           HE2      HIS -14  16.807  -1.391  -8.732
   41    H    HIS -13           HN       HIS -13  13.230  -0.310 -14.327
   42    HA   HIS -13           HA       HIS -13  11.743   0.689 -15.710
   43    HB2  HIS -13           HB2      HIS -13  10.632  -2.108 -15.810
   44    HB3  HIS -13           HB1      HIS -13   9.881  -0.783 -16.689
   45    HD1  HIS -13           HD1      HIS -13  10.826  -0.251 -18.936
   46    HD2  HIS -13           HD2      HIS -13  13.367  -2.638 -16.675
   47    HE1  HIS -13           HE1      HIS -13  12.681  -0.927 -20.492
   48    HE2  HIS -13           HE2      HIS -13  14.278  -2.254 -19.060
   49    H    HIS -12           HN       HIS -12   9.599  -1.550 -13.972
   50    HA   HIS -12           HA       HIS -12   7.847   0.691 -13.333
   51    HB2  HIS -12           HB2      HIS -12   6.898  -1.425 -14.246
   52    HB3  HIS -12           HB1      HIS -12   7.470  -2.267 -12.813
   53    HD1  HIS -12           HD1      HIS -12   6.040  -2.130 -10.721
   54    HD2  HIS -12           HD2      HIS -12   4.730   0.371 -13.780
   55    HE1  HIS -12           HE1      HIS -12   3.792  -1.280  -9.990
   56    HE2  HIS -12           HE2      HIS -12   3.012   0.229 -11.849
   57    H    HIS -11           HN       HIS -11   7.893   1.664 -11.402
   58    HA   HIS -11           HA       HIS -11   9.549   0.574  -9.299
   59    HB2  HIS -11           HB2      HIS -11   9.458   3.033  -9.827
   60    HB3  HIS -11           HB1      HIS -11   7.814   3.052  -9.199
   61    HD1  HIS -11           HD1      HIS -11  11.389   2.798  -8.116
   62    HD2  HIS -11           HD2      HIS -11   7.602   2.925  -6.404
   63    HE1  HIS -11           HE1      HIS -11  11.767   3.181  -5.661
   64    HE2  HIS -11           HE2      HIS -11   9.462   3.390  -4.661
   65    H    SER -10           HN       SER -10   8.340  -1.351  -8.976
   66    HA   SER -10           HA       SER -10   5.649  -1.233  -7.983
   67    HB2  SER -10           HB2      SER -10   7.579  -3.551  -7.793
   68    HB3  SER -10           HB1      SER -10   5.816  -3.612  -7.813
   69    HG   SER -10           HG       SER -10   6.599  -4.142  -9.853
   70    H    SER  -9           HN       SER  -9   5.733   0.110  -6.177
   71    HA   SER  -9           HA       SER  -9   7.594   0.041  -4.123
   72    HB2  SER  -9           HB2      SER  -9   4.669   0.811  -4.002
   73    HB3  SER  -9           HB1      SER  -9   5.866   1.194  -2.766
   74    HG   SER  -9           HG       SER  -9   6.503   2.815  -3.932
   75    H    GLY  -8           HN       GLY  -8   8.111  -2.007  -3.462
   76    HA2  GLY  -8           HA2      GLY  -8   6.059  -3.655  -2.203
   77    HA3  GLY  -8           HA1      GLY  -8   7.759  -4.073  -2.404
   78    H    LEU  -7           HN       LEU  -7   5.664  -1.776  -0.751
   79    HA   LEU  -7           HA       LEU  -7   5.638  -0.935   1.328
   80    HB2  LEU  -7           HB2      LEU  -7   6.071  -2.608   2.691
   81    HB3  LEU  -7           HB1      LEU  -7   7.349  -3.249   1.680
   82    HG   LEU  -7           HG       LEU  -7   8.901  -1.540   2.697
   83   HD11  LEU  -7          HD11      LEU  -7   8.272  -0.557   4.837
   84   HD12  LEU  -7          HD12      LEU  -7   6.634  -1.176   4.645
   85   HD13  LEU  -7          HD13      LEU  -7   7.252   0.039   3.529
   86   HD21  LEU  -7          HD21      LEU  -7   8.826  -3.902   3.376
   87   HD22  LEU  -7          HD22      LEU  -7   7.634  -3.492   4.609
   88   HD23  LEU  -7          HD23      LEU  -7   9.264  -2.830   4.704
   89    H    GLU  -6           HN       GLU  -6   6.143   1.012   1.702
   90    HA   GLU  -6           HA       GLU  -6   8.744   2.175   1.305
   91    HB2  GLU  -6           HB2      GLU  -6   7.566   1.802  -0.999
   92    HB3  GLU  -6           HB1      GLU  -6   6.513   3.114  -0.500
   93    HG2  GLU  -6           HG2      GLU  -6   8.347   4.649  -0.439
   94    HG3  GLU  -6           HG1      GLU  -6   9.506   3.345  -0.696
   95    H    VAL  -5           HN       VAL  -5   7.304   4.801   0.763
   96    HA   VAL  -5           HA       VAL  -5   6.549   6.571   1.897
   97    HB   VAL  -5           HB       VAL  -5   4.392   5.776   1.313
   98   HG11  VAL  -5          HG11      VAL  -5   3.050   4.259   2.533
   99   HG12  VAL  -5          HG12      VAL  -5   4.275   4.108   3.796
  100   HG13  VAL  -5          HG13      VAL  -5   4.593   3.479   2.179
  101   HG21  VAL  -5          HG21      VAL  -5   3.009   6.653   3.117
  102   HG22  VAL  -5          HG22      VAL  -5   4.404   7.677   2.771
  103   HG23  VAL  -5          HG23      VAL  -5   4.410   6.624   4.188
  104    H    LEU  -4           HN       LEU  -4   5.887   4.099   4.401
  105    HA   LEU  -4           HA       LEU  -4   6.861   3.719   6.401
  106    HB2  LEU  -4           HB2      LEU  -4   8.995   4.342   5.405
  107    HB3  LEU  -4           HB1      LEU  -4   8.669   6.031   5.736
  108    HG   LEU  -4           HG       LEU  -4   8.690   5.528   8.166
  109   HD11  LEU  -4          HD11      LEU  -4   9.592   2.799   7.257
  110   HD12  LEU  -4          HD12      LEU  -4   8.070   3.178   8.065
  111   HD13  LEU  -4          HD13      LEU  -4   9.599   3.387   8.919
  112   HD21  LEU  -4          HD21      LEU  -4  11.169   4.723   6.651
  113   HD22  LEU  -4          HD22      LEU  -4  11.111   5.236   8.338
  114   HD23  LEU  -4          HD23      LEU  -4  10.686   6.370   7.056
  115    H    PHE  -3           HN       PHE  -3   6.607   7.288   5.975
  116    HA   PHE  -3           HA       PHE  -3   6.667   7.838   8.670
  117    HB2  PHE  -3           HB2      PHE  -3   5.520  10.039   8.078
  118    HB3  PHE  -3           HB1      PHE  -3   7.060   9.675   7.326
  119    HD1  PHE  -3           HD1      PHE  -3   7.188   9.176   4.944
  120    HD2  PHE  -3           HD2      PHE  -3   3.503  10.228   6.789
  121    HE1  PHE  -3           HE1      PHE  -3   6.228   9.671   2.736
  122    HE2  PHE  -3           HE2      PHE  -3   2.532  10.717   4.582
  123    HZ   PHE  -3           HZ       PHE  -3   3.896  10.441   2.552
  124    H    GLN  -2           HN       GLN  -2   3.549   8.320   6.954
  125    HA   GLN  -2           HA       GLN  -2   2.279   7.950   9.559
  126    HB2  GLN  -2           HB2      GLN  -2   1.769   9.994   8.288
  127    HB3  GLN  -2           HB1      GLN  -2   1.137   9.017   6.969
  128    HG2  GLN  -2           HG2      GLN  -2  -0.621   9.999   8.389
  129    HG3  GLN  -2           HG1      GLN  -2  -0.675   8.240   8.329
  130   HE21  GLN  -2          HE21      GLN  -2   1.657  10.019  10.232
  131   HE22  GLN  -2          HE22      GLN  -2   1.028   9.563  11.775
  132    H    GLY  -1           HN       GLY  -1   2.456   5.643   9.630
  133    HA2  GLY  -1           HA2      GLY  -1   0.280   4.164   9.257
  134    HA3  GLY  -1           HA1      GLY  -1   0.956   4.134   7.637
  135    HA   PRO   0           HA       PRO   0   3.494   1.314  10.591
  136    HB2  PRO   0           HB2      PRO   0   1.972  -0.104  12.254
  137    HB3  PRO   0           HB1      PRO   0   2.394   1.570  12.633
  138    HG2  PRO   0           HG2      PRO   0  -0.154   0.466  11.519
  139    HG3  PRO   0           HG1      PRO   0   0.080   1.708  12.762
  140    HD2  PRO   0           HD2      PRO   0  -0.444   2.211  10.089
  141    HD3  PRO   0           HD1      PRO   0   0.296   3.363  11.217
  142    H    ARG   1           HN       ARG   1   2.503  -1.348  11.273
  143    HA   ARG   1           HA       ARG   1   1.464  -2.336   8.720
  144    HB2  ARG   1           HB2      ARG   1   3.026  -4.196   8.727
  145    HB3  ARG   1           HB1      ARG   1   3.889  -2.669   8.701
  146    HG2  ARG   1           HG2      ARG   1   4.307  -2.889  11.113
  147    HG3  ARG   1           HG1      ARG   1   3.491  -4.455  11.091
  148    HD2  ARG   1           HD2      ARG   1   5.145  -5.203   9.379
  149    HD3  ARG   1           HD1      ARG   1   6.004  -3.683   9.619
  150    HE   ARG   1           HE       ARG   1   5.953  -4.588  12.102
  151   HH11  ARG   1          HH11      ARG   1   6.647  -6.277   9.126
  152   HH12  ARG   1          HH12      ARG   1   7.708  -7.428   9.871
  153   HH21  ARG   1          HH21      ARG   1   7.337  -6.106  13.101
  154   HH22  ARG   1          HH22      ARG   1   8.105  -7.329  12.140
  155    H    ARG   2           HN       ARG   2   1.129  -4.956   9.139
  156    HA   ARG   2           HA       ARG   2  -0.122  -5.452  11.676
  157    HB2  ARG   2           HB2      ARG   2  -1.722  -3.881  10.347
  158    HB3  ARG   2           HB1      ARG   2  -2.032  -5.300   9.366
  159    HG2  ARG   2           HG2      ARG   2  -2.786  -6.521  11.313
  160    HG3  ARG   2           HG1      ARG   2  -2.458  -5.106  12.298
  161    HD2  ARG   2           HD2      ARG   2  -4.102  -3.820  11.053
  162    HD3  ARG   2           HD1      ARG   2  -4.409  -5.212  10.016
  163    HE   ARG   2           HE       ARG   2  -4.821  -5.693  12.833
  164   HH11  ARG   2          HH11      ARG   2  -6.291  -4.654   9.836
  165   HH12  ARG   2          HH12      ARG   2  -7.906  -5.026  10.344
  166   HH21  ARG   2          HH21      ARG   2  -6.937  -6.184  13.510
  167   HH22  ARG   2          HH22      ARG   2  -8.272  -5.898  12.442
  168    H    ALA   3           HN       ALA   3   1.768  -6.743   9.854
  169    HA   ALA   3           HA       ALA   3   2.329  -8.838   9.155
  170    HB1  ALA   3           HB1      ALA   3   1.396 -10.715  10.368
  171    HB2  ALA   3           HB2      ALA   3   0.098  -9.686  10.974
  172    HB3  ALA   3           HB3      ALA   3   1.765  -9.377  11.456
  173    H    GLY   4           HN       GLY   4  -0.723 -10.328   9.453
  174    HA2  GLY   4           HA2      GLY   4  -0.809 -10.405   6.504
  175    HA3  GLY   4           HA1      GLY   4  -1.174 -11.775   7.519
  176    H    THR   5           HN       THR   5  -2.168  -8.599   6.647
  177    HA   THR   5           HA       THR   5  -4.959  -9.251   7.361
  178    HB   THR   5           HB       THR   5  -3.977  -6.454   6.787
  179    HG1  THR   5           HG1      THR   5  -2.794  -7.822   8.551
  180   HG21  THR   5          HG21      THR   5  -5.743  -5.909   8.497
  181   HG22  THR   5          HG22      THR   5  -6.180  -7.610   8.534
  182   HG23  THR   5          HG23      THR   5  -6.384  -6.681   7.049
  183    H    CYS   6           HN       CYS   6  -6.432  -7.671   5.804
  184    HA   CYS   6           HA       CYS   6  -5.439  -8.042   3.061
  185    HB2  CYS   6           HB2      CYS   6  -8.013  -7.919   2.546
  186    HB3  CYS   6           HB1      CYS   6  -7.281  -9.402   3.104
  187    HG   CYS   6           HG       CYS   6  -9.312  -7.271   4.800
  188    H    CYS   7           HN       CYS   7  -5.954  -6.440   1.501
  189    HA   CYS   7           HA       CYS   7  -5.785  -3.843   2.738
  190    HB2  CYS   7           HB2      CYS   7  -4.241  -4.509   0.925
  191    HB3  CYS   7           HB1      CYS   7  -5.576  -4.515  -0.179
  192    H    ALA   8           HN       ALA   8  -7.379  -2.470   3.026
  193    HA   ALA   8           HA       ALA   8 -10.051  -2.904   2.411
  194    HB1  ALA   8           HB1      ALA   8 -10.454  -0.689   3.250
  195    HB2  ALA   8           HB2      ALA   8  -8.758  -0.260   3.022
  196    HB3  ALA   8           HB3      ALA   8  -9.213  -1.461   4.230
  197    H    ASN   9           HN       ASN   9  -8.344  -2.819  -0.014
  198    HA   ASN   9           HA       ASN   9  -9.948  -1.072  -1.622
  199    HB2  ASN   9           HB2      ASN   9  -8.311   0.547  -0.770
  200    HB3  ASN   9           HB1      ASN   9  -6.979  -0.504  -1.356
  201   HD21  ASN   9          HD21      ASN   9  -6.097   0.339  -3.085
  202   HD22  ASN   9          HD22      ASN   9  -6.935   1.058  -4.410
  203    H    CYS  10           HN       CYS  10  -6.971  -3.085  -1.507
  204    HA   CYS  10           HA       CYS  10  -7.774  -3.981  -4.191
  205    HB2  CYS  10           HB2      CYS  10  -5.521  -4.030  -4.933
  206    HB3  CYS  10           HB1      CYS  10  -5.770  -2.455  -4.140
  207    H    GLN  11           HN       GLN  11  -7.813  -5.013  -1.214
  208    HA   GLN  11           HA       GLN  11  -7.648  -6.933  -0.024
  209    HB2  GLN  11           HB2      GLN  11  -8.797  -7.655  -2.676
  210    HB3  GLN  11           HB1      GLN  11  -8.656  -8.856  -1.399
  211    HG2  GLN  11           HG2      GLN  11  -9.987  -7.396   0.067
  212    HG3  GLN  11           HG1      GLN  11 -10.157  -6.254  -1.266
  213   HE21  GLN  11          HE21      GLN  11 -12.193  -7.716   0.198
  214   HE22  GLN  11          HE22      GLN  11 -13.068  -8.627  -0.982
  215    H    THR  12           HN       THR  12  -5.111  -6.484  -1.878
  216    HA   THR  12           HA       THR  12  -3.995  -9.044  -1.982
  217    HB   THR  12           HB       THR  12  -2.951  -6.964  -2.997
  218    HG1  THR  12           HG1      THR  12  -0.986  -7.912  -2.885
  219   HG21  THR  12          HG21      THR  12  -1.939  -6.578  -0.165
  220   HG22  THR  12          HG22      THR  12  -3.076  -5.509  -0.991
  221   HG23  THR  12          HG23      THR  12  -1.417  -5.664  -1.580
  222    H    THR  13           HN       THR  13  -2.788 -10.145  -0.512
  223    HA   THR  13           HA       THR  13  -2.803  -9.152   2.257
  224    HB   THR  13           HB       THR  13  -2.780 -11.622   2.909
  225    HG1  THR  13           HG1      THR  13  -4.125 -12.160   0.518
  226   HG21  THR  13          HG21      THR  13  -5.266 -10.550   1.576
  227   HG22  THR  13          HG22      THR  13  -4.713 -10.115   3.196
  228   HG23  THR  13          HG23      THR  13  -5.199 -11.778   2.844
  229    H    THR  14           HN       THR  14  -0.939  -9.508  -0.251
  230    HA   THR  14           HA       THR  14   1.333 -10.608   1.229
  231    HB   THR  14           HB       THR  14   0.925 -11.688  -0.973
  232    HG1  THR  14           HG1      THR  14   3.038 -11.626  -0.102
  233   HG21  THR  14          HG21      THR  14   1.867 -10.297  -2.972
  234   HG22  THR  14          HG22      THR  14   1.334  -8.912  -2.021
  235   HG23  THR  14          HG23      THR  14   0.172 -10.144  -2.528
  236    H    THR  15           HN       THR  15   1.258  -8.667   2.473
  237    HA   THR  15           HA       THR  15   2.888  -6.552   1.319
  238    HB   THR  15           HB       THR  15   0.320  -5.702   2.684
  239    HG1  THR  15           HG1      THR  15   0.679  -6.672   0.159
  240   HG21  THR  15          HG21      THR  15   2.212  -4.253   0.841
  241   HG22  THR  15          HG22      THR  15   2.277  -4.176   2.597
  242   HG23  THR  15          HG23      THR  15   0.862  -3.568   1.746
  243    H    THR  16           HN       THR  16   4.188  -5.568   2.825
  244    HA   THR  16           HA       THR  16   4.068  -6.673   5.539
  245    HB   THR  16           HB       THR  16   6.333  -5.048   4.395
  246    HG1  THR  16           HG1      THR  16   5.529  -7.665   3.784
  247   HG21  THR  16          HG21      THR  16   6.365  -5.556   6.807
  248   HG22  THR  16          HG22      THR  16   7.678  -6.366   5.954
  249   HG23  THR  16          HG23      THR  16   6.249  -7.277   6.441
  250    H    LEU  17           HN       LEU  17   2.966  -3.993   3.985
  251    HA   LEU  17           HA       LEU  17   3.440  -2.232   6.349
  252    HB2  LEU  17           HB2      LEU  17   4.806  -1.636   4.303
  253    HB3  LEU  17           HB1      LEU  17   3.299  -1.286   3.487
  254    HG   LEU  17           HG       LEU  17   2.813   0.468   5.146
  255   HD11  LEU  17          HD11      LEU  17   4.589   1.186   6.679
  256   HD12  LEU  17          HD12      LEU  17   5.554  -0.208   6.195
  257   HD13  LEU  17          HD13      LEU  17   4.026  -0.445   7.043
  258   HD21  LEU  17          HD21      LEU  17   3.825   1.238   3.177
  259   HD22  LEU  17          HD22      LEU  17   5.395   0.588   3.638
  260   HD23  LEU  17          HD23      LEU  17   4.733   1.983   4.491
  261    H    TRP  18           HN       TRP  18   1.408  -2.707   7.161
  262    HA   TRP  18           HA       TRP  18  -0.885  -2.048   5.570
  263    HB2  TRP  18           HB2      TRP  18  -0.718  -3.260   8.313
  264    HB3  TRP  18           HB1      TRP  18  -2.178  -3.019   7.429
  265    HD1  TRP  18           HD1      TRP  18   0.720  -5.384   7.676
  266    HE1  TRP  18           HE1      TRP  18   0.344  -7.337   6.110
  267    HE3  TRP  18           HE3      TRP  18  -3.255  -3.609   5.027
  268    HZ2  TRP  18           HZ2      TRP  18  -1.369  -8.090   4.056
  269    HZ3  TRP  18           HZ3      TRP  18  -4.263  -5.031   3.288
  270    HH2  TRP  18           HH2      TRP  18  -3.336  -7.202   2.774
  271    H    ARG  19           HN       ARG  19  -0.815   0.120   5.406
  272    HA   ARG  19           HA       ARG  19  -0.848   1.869   7.771
  273    HB2  ARG  19           HB2      ARG  19  -1.710   3.159   5.305
  274    HB3  ARG  19           HB1      ARG  19  -0.260   3.437   6.256
  275    HG2  ARG  19           HG2      ARG  19   0.542   1.222   5.095
  276    HG3  ARG  19           HG1      ARG  19  -0.646   1.696   3.879
  277    HD2  ARG  19           HD2      ARG  19   1.500   2.590   3.236
  278    HD3  ARG  19           HD1      ARG  19   0.481   3.930   3.758
  279    HE   ARG  19           HE       ARG  19   2.459   2.675   5.554
  280   HH11  ARG  19          HH11      ARG  19   0.988   5.498   4.105
  281   HH12  ARG  19          HH12      ARG  19   1.922   6.619   5.032
  282   HH21  ARG  19          HH21      ARG  19   3.720   4.128   6.761
  283   HH22  ARG  19          HH22      ARG  19   3.505   5.833   6.543
  284    H    ARG  20           HN       ARG  20  -2.727   3.541   7.864
  285    HA   ARG  20           HA       ARG  20  -5.254   2.110   7.570
  286    HB2  ARG  20           HB2      ARG  20  -4.462   4.540   9.158
  287    HB3  ARG  20           HB1      ARG  20  -6.130   4.104   8.923
  288    HG2  ARG  20           HG2      ARG  20  -4.068   2.870  10.631
  289    HG3  ARG  20           HG1      ARG  20  -5.772   3.199  10.918
  290    HD2  ARG  20           HD2      ARG  20  -5.912   0.956  10.793
  291    HD3  ARG  20           HD1      ARG  20  -6.044   1.307   9.075
  292    HE   ARG  20           HE       ARG  20  -3.674   0.763   8.880
  293   HH11  ARG  20          HH11      ARG  20  -5.363  -0.309  11.757
  294   HH12  ARG  20          HH12      ARG  20  -4.167  -1.491  12.179
  295   HH21  ARG  20          HH21      ARG  20  -2.074  -0.802   9.456
  296   HH22  ARG  20          HH22      ARG  20  -2.308  -1.761  10.888
  297    H    ASN  21           HN       ASN  21  -6.987   2.966   6.475
  298    HA   ASN  21           HA       ASN  21  -6.439   5.280   4.773
  299    HB2  ASN  21           HB2      ASN  21  -8.331   4.686   3.417
  300    HB3  ASN  21           HB1      ASN  21  -7.399   3.194   3.723
  301   HD21  ASN  21          HD21      ASN  21  -9.514   2.313   2.976
  302   HD22  ASN  21          HD22      ASN  21 -10.770   2.076   4.097
  303    H    ALA  22           HN       ALA  22  -9.158   6.259   4.464
  304    HA   ALA  22           HA       ALA  22  -9.161   8.177   6.483
  305    HB1  ALA  22           HB1      ALA  22 -11.329   8.843   5.627
  306    HB2  ALA  22           HB2      ALA  22 -11.480   7.302   4.781
  307    HB3  ALA  22           HB3      ALA  22 -10.232   8.454   4.305
  308    H    ASN  23           HN       ASN  23 -10.445   4.982   6.624
  309    HA   ASN  23           HA       ASN  23 -12.417   5.688   8.664
  310    HB2  ASN  23           HB2      ASN  23 -12.988   4.213   6.652
  311    HB3  ASN  23           HB1      ASN  23 -11.958   3.005   7.386
  312   HD21  ASN  23          HD21      ASN  23 -13.512   1.489   7.829
  313   HD22  ASN  23          HD22      ASN  23 -14.811   1.776   8.937
  314    H    GLY  24           HN       GLY  24  -9.293   5.112   8.441
  315    HA2  GLY  24           HA2      GLY  24  -7.678   4.265   9.851
  316    HA3  GLY  24           HA1      GLY  24  -8.958   3.931  11.001
  317    H    ASP  25           HN       ASP  25  -9.094   2.815   7.720
  318    HA   ASP  25           HA       ASP  25  -9.136   0.101   8.783
  319    HB2  ASP  25           HB2      ASP  25 -10.260   1.331   6.332
  320    HB3  ASP  25           HB1      ASP  25  -9.863  -0.364   6.295
  321    HA   PRO  26           HA       PRO  26  -5.279  -0.993   7.270
  322    HB2  PRO  26           HB2      PRO  26  -5.698  -3.599   6.465
  323    HB3  PRO  26           HB1      PRO  26  -5.601  -3.061   8.171
  324    HG2  PRO  26           HG2      PRO  26  -7.949  -3.820   6.526
  325    HG3  PRO  26           HG1      PRO  26  -7.709  -3.922   8.288
  326    HD2  PRO  26           HD2      PRO  26  -9.208  -1.945   6.977
  327    HD3  PRO  26           HD1      PRO  26  -8.635  -1.871   8.615
  328    H    VAL  27           HN       VAL  27  -4.052  -0.644   5.526
  329    HA   VAL  27           HA       VAL  27  -5.001  -1.591   2.897
  330    HB   VAL  27           HB       VAL  27  -3.969   0.558   1.844
  331   HG11  VAL  27          HG11      VAL  27  -6.727   0.663   3.031
  332   HG12  VAL  27          HG12      VAL  27  -6.284  -0.130   1.516
  333   HG13  VAL  27          HG13      VAL  27  -6.135   1.624   1.675
  334   HG21  VAL  27          HG21      VAL  27  -4.509   2.622   3.037
  335   HG22  VAL  27          HG22      VAL  27  -3.255   1.694   3.838
  336   HG23  VAL  27          HG23      VAL  27  -4.890   1.681   4.477
  337    H    CYS  28           HN       CYS  28  -3.341  -1.962   1.420
  338    HA   CYS  28           HA       CYS  28  -0.864  -2.772   2.555
  339    HB2  CYS  28           HB2      CYS  28  -0.576  -3.765   0.393
  340    HB3  CYS  28           HB1      CYS  28  -2.306  -3.681   0.587
  341    H    ASN  29           HN       ASN  29   1.318  -1.918   1.342
  342    HA   ASN  29           HA       ASN  29   1.621   0.705   2.087
  343    HB2  ASN  29           HB2      ASN  29   3.725  -0.222   1.952
  344    HB3  ASN  29           HB1      ASN  29   3.281  -1.278   0.611
  345   HD21  ASN  29          HD21      ASN  29   3.226   2.334   0.809
  346   HD22  ASN  29          HD22      ASN  29   4.390   2.533  -0.430
  347    H    ALA  30           HN       ALA  30   1.277  -0.435  -1.259
  348    HA   ALA  30           HA       ALA  30   1.458   2.027  -2.479
  349    HB1  ALA  30           HB1      ALA  30  -0.388  -0.173  -3.321
  350    HB2  ALA  30           HB2      ALA  30   1.313  -0.006  -3.760
  351    HB3  ALA  30           HB3      ALA  30   0.137   1.195  -4.298
  352    H    CYS  31           HN       CYS  31  -1.528   0.590  -1.170
  353    HA   CYS  31           HA       CYS  31  -3.167   2.751  -2.056
  354    HB2  CYS  31           HB2      CYS  31  -3.735   0.572  -0.103
  355    HB3  CYS  31           HB1      CYS  31  -4.934   1.642  -0.753
  356    H    GLY  32           HN       GLY  32  -1.669   1.936   1.045
  357    HA2  GLY  32           HA2      GLY  32  -2.763   4.276   2.361
  358    HA3  GLY  32           HA1      GLY  32  -1.441   3.252   2.979
  359    H    LEU  33           HN       LEU  33   0.112   3.611   0.502
  360    HA   LEU  33           HA       LEU  33   1.490   6.015   1.230
  361    HB2  LEU  33           HB2      LEU  33   2.629   4.041   0.309
  362    HB3  LEU  33           HB1      LEU  33   1.810   4.261  -1.204
  363    HG   LEU  33           HG       LEU  33   3.456   6.516  -0.285
  364   HD11  LEU  33          HD11      LEU  33   4.687   4.085  -1.563
  365   HD12  LEU  33          HD12      LEU  33   4.800   4.403   0.165
  366   HD13  LEU  33          HD13      LEU  33   5.509   5.535  -0.986
  367   HD21  LEU  33          HD21      LEU  33   3.933   6.581  -2.674
  368   HD22  LEU  33          HD22      LEU  33   2.197   6.541  -2.365
  369   HD23  LEU  33          HD23      LEU  33   3.036   5.076  -2.874
  370    H    TYR  34           HN       TYR  34  -0.659   4.952  -1.383
  371    HA   TYR  34           HA       TYR  34  -0.248   7.259  -2.878
  372    HB2  TYR  34           HB2      TYR  34  -1.041   5.173  -3.864
  373    HB3  TYR  34           HB1      TYR  34  -2.531   5.291  -2.941
  374    HD1  TYR  34           HD1      TYR  34  -4.187   7.072  -3.537
  375    HD2  TYR  34           HD2      TYR  34  -0.732   6.265  -5.868
  376    HE1  TYR  34           HE1      TYR  34  -5.230   8.192  -5.490
  377    HE2  TYR  34           HE2      TYR  34  -1.735   7.388  -7.792
  378    HH   TYR  34           HH       TYR  34  -4.622   9.254  -7.545
  379    H    TYR  35           HN       TYR  35  -2.899   6.278  -0.749
  380    HA   TYR  35           HA       TYR  35  -4.438   8.600  -0.979
  381    HB2  TYR  35           HB2      TYR  35  -5.115   6.483   0.211
  382    HB3  TYR  35           HB1      TYR  35  -4.096   6.989   1.543
  383    HD1  TYR  35           HD1      TYR  35  -7.311   7.239   0.086
  384    HD2  TYR  35           HD2      TYR  35  -4.615   9.200   2.682
  385    HE1  TYR  35           HE1      TYR  35  -9.168   8.500   1.012
  386    HE2  TYR  35           HE2      TYR  35  -6.451  10.463   3.643
  387    HH   TYR  35           HH       TYR  35  -9.744   9.709   3.043
  388    H    LYS  36           HN       LYS  36  -1.426   8.113   0.684
  389    HA   LYS  36           HA       LYS  36  -1.780  10.317   2.460
  390    HB2  LYS  36           HB2      LYS  36   0.408   8.469   1.750
  391    HB3  LYS  36           HB1      LYS  36   0.886  10.045   2.358
  392    HG2  LYS  36           HG2      LYS  36   0.615   8.220   4.075
  393    HG3  LYS  36           HG1      LYS  36  -0.169   9.751   4.387
  394    HD2  LYS  36           HD2      LYS  36  -2.299   8.786   3.564
  395    HD3  LYS  36           HD1      LYS  36  -1.483   7.230   3.407
  396    HE2  LYS  36           HE2      LYS  36  -1.090   7.122   5.763
  397    HE3  LYS  36           HE1      LYS  36  -1.666   8.771   5.988
  398    HZ1  LYS  36           HZ1      LYS  36  -3.324   6.474   5.091
  399    HZ2  LYS  36           HZ2      LYS  36  -3.873   8.057   5.313
  400    HZ3  LYS  36           HZ3      LYS  36  -3.336   7.157   6.635
  401    H    LEU  37           HN       LEU  37  -0.432   9.772  -0.667
  402    HA   LEU  37           HA       LEU  37   0.678  12.381  -0.922
  403    HB2  LEU  37           HB2      LEU  37  -0.043  10.673  -3.282
  404    HB3  LEU  37           HB1      LEU  37   1.334  11.754  -3.066
  405    HG   LEU  37           HG       LEU  37   1.024   9.182  -1.549
  406   HD11  LEU  37          HD11      LEU  37   2.389   9.667  -4.185
  407   HD12  LEU  37          HD12      LEU  37   1.041   8.574  -3.862
  408   HD13  LEU  37          HD13      LEU  37   2.630   8.240  -3.181
  409   HD21  LEU  37          HD21      LEU  37   3.425  10.891  -2.169
  410   HD22  LEU  37          HD22      LEU  37   3.436   9.376  -1.265
  411   HD23  LEU  37          HD23      LEU  37   2.606  10.789  -0.609
  412    H    HIS  38           HN       HIS  38  -2.349  10.792  -1.813
  413    HA   HIS  38           HA       HIS  38  -3.112  13.200  -3.321
  414    HB2  HIS  38           HB2      HIS  38  -3.502  10.303  -4.023
  415    HB3  HIS  38           HB1      HIS  38  -4.289  11.619  -4.881
  416    HD1  HIS  38           HD1      HIS  38  -2.323   9.788  -6.389
  417    HD2  HIS  38           HD2      HIS  38  -1.206  13.323  -4.520
  418    HE1  HIS  38           HE1      HIS  38  -0.137  10.449  -7.435
  419    HE2  HIS  38           HE2      HIS  38   0.556  12.545  -6.236
  420    H    ASN  39           HN       ASN  39  -4.008  11.456  -0.665
  421    HA   ASN  39           HA       ASN  39  -5.865  11.516   0.690
  422    HB2  ASN  39           HB2      ASN  39  -5.741  13.922  -0.468
  423    HB3  ASN  39           HB1      ASN  39  -7.327  13.419  -1.017
  424   HD21  ASN  39          HD21      ASN  39  -7.726  11.815   1.501
  425   HD22  ASN  39          HD22      ASN  39  -8.077  12.995   2.707
  426    H    VAL  40           HN       VAL  40  -5.792   9.722  -1.619
  427    HA   VAL  40           HA       VAL  40  -8.558   8.942  -1.627
  428    HB   VAL  40           HB       VAL  40  -8.458   8.623  -4.211
  429   HG11  VAL  40          HG11      VAL  40  -9.538  10.801  -4.553
  430   HG12  VAL  40          HG12      VAL  40  -8.980  11.307  -2.958
  431   HG13  VAL  40          HG13      VAL  40 -10.125   9.973  -3.112
  432   HG21  VAL  40          HG21      VAL  40  -6.090   9.551  -4.284
  433   HG22  VAL  40          HG22      VAL  40  -6.823  11.136  -4.066
  434   HG23  VAL  40          HG23      VAL  40  -7.230  10.153  -5.477
  435    H    ASN  41           HN       ASN  41  -8.835   6.793  -2.719
  436    HA   ASN  41           HA       ASN  41  -6.629   5.139  -1.919
  437    HB2  ASN  41           HB2      ASN  41  -9.412   4.602  -2.878
  438    HB3  ASN  41           HB1      ASN  41  -8.219   3.325  -2.972
  439   HD21  ASN  41          HD21      ASN  41  -9.933   5.459  -0.855
  440   HD22  ASN  41          HD22      ASN  41  -9.682   4.565   0.600
  441    H    ARG  42           HN       ARG  42  -5.666   3.498  -3.369
  442    HA   ARG  42           HA       ARG  42  -4.789   4.938  -5.708
  443    HB2  ARG  42           HB2      ARG  42  -3.164   3.836  -4.186
  444    HB3  ARG  42           HB1      ARG  42  -3.814   2.280  -4.659
  445    HG2  ARG  42           HG2      ARG  42  -3.074   2.566  -6.909
  446    HG3  ARG  42           HG1      ARG  42  -2.639   4.250  -6.607
  447    HD2  ARG  42           HD2      ARG  42  -0.952   3.469  -4.973
  448    HD3  ARG  42           HD1      ARG  42  -1.347   1.809  -5.408
  449    HE   ARG  42           HE       ARG  42  -0.713   2.784  -7.789
  450   HH11  ARG  42          HH11      ARG  42   0.883   3.268  -4.713
  451   HH12  ARG  42          HH12      ARG  42   2.465   3.397  -5.406
  452   HH21  ARG  42          HH21      ARG  42   1.382   2.959  -8.707
  453   HH22  ARG  42          HH22      ARG  42   2.751   3.224  -7.671
  454    HA   PRO  43           HA       PRO  43  -7.581   2.531  -8.396
  455    HB2  PRO  43           HB2      PRO  43  -5.997   4.184 -10.320
  456    HB3  PRO  43           HB1      PRO  43  -7.739   3.871 -10.281
  457    HG2  PRO  43           HG2      PRO  43  -6.847   6.218  -9.487
  458    HG3  PRO  43           HG1      PRO  43  -8.094   5.381  -8.537
  459    HD2  PRO  43           HD2      PRO  43  -5.142   5.583  -8.014
  460    HD3  PRO  43           HD1      PRO  43  -6.529   5.776  -6.871
  461    H    LEU  44           HN       LEU  44  -6.923   0.555  -8.898
  462    HA   LEU  44           HA       LEU  44  -4.322  -0.078  -9.852
  463    HB2  LEU  44           HB2      LEU  44  -4.174   0.745  -7.366
  464    HB3  LEU  44           HB1      LEU  44  -4.765  -0.853  -6.996
  465    HG   LEU  44           HG       LEU  44  -2.787  -1.825  -8.104
  466   HD11  LEU  44          HD11      LEU  44  -1.947   1.060  -8.370
  467   HD12  LEU  44          HD12      LEU  44  -2.310  -0.050  -9.693
  468   HD13  LEU  44          HD13      LEU  44  -0.910  -0.336  -8.661
  469   HD21  LEU  44          HD21      LEU  44  -1.148  -0.952  -6.375
  470   HD22  LEU  44          HD22      LEU  44  -2.676  -1.576  -5.757
  471   HD23  LEU  44          HD23      LEU  44  -2.423   0.170  -5.873
  472    H    THR  45           HN       THR  45  -6.308  -1.616  -7.409
  473    HA   THR  45           HA       THR  45  -7.358  -3.558  -9.263
  474    HB   THR  45           HB       THR  45  -6.598  -5.449  -7.689
  475    HG1  THR  45           HG1      THR  45  -4.381  -4.655  -6.809
  476   HG21  THR  45          HG21      THR  45  -4.462  -4.019  -9.275
  477   HG22  THR  45          HG22      THR  45  -5.636  -5.157  -9.930
  478   HG23  THR  45          HG23      THR  45  -4.423  -5.709  -8.776
  479    H    MET  46           HN       MET  46  -8.356  -5.357  -7.167
  480    HA   MET  46           HA       MET  46  -9.658  -3.853  -5.159
  481    HB2  MET  46           HB2      MET  46 -10.821  -2.917  -7.138
  482    HB3  MET  46           HB1      MET  46 -11.363  -4.535  -7.555
  483    HG2  MET  46           HG2      MET  46 -12.596  -4.649  -5.438
  484    HG3  MET  46           HG1      MET  46 -12.081  -3.006  -5.065
  485    HE1  MET  46           HE1      MET  46 -12.246  -1.703  -8.049
  486    HE2  MET  46           HE2      MET  46 -12.750  -0.890  -6.568
  487    HE3  MET  46           HE3      MET  46 -13.849  -0.975  -7.944
  488    H    LYS  47           HN       LYS  47 -10.961  -6.298  -7.274
  489    HA   LYS  47           HA       LYS  47 -10.570  -8.372  -5.252
  490    HB2  LYS  47           HB2      LYS  47 -12.834  -7.337  -4.927
  491    HB3  LYS  47           HB1      LYS  47 -13.239  -7.804  -6.569
  492    HG2  LYS  47           HG2      LYS  47 -13.006 -10.155  -5.969
  493    HG3  LYS  47           HG1      LYS  47 -12.573  -9.695  -4.321
  494    HD2  LYS  47           HD2      LYS  47 -14.733  -8.735  -3.950
  495    HD3  LYS  47           HD1      LYS  47 -15.166  -8.925  -5.649
  496    HE2  LYS  47           HE2      LYS  47 -14.596 -11.188  -3.741
  497    HE3  LYS  47           HE1      LYS  47 -16.205 -10.625  -4.186
  498    HZ1  LYS  47           HZ1      LYS  47 -15.572 -12.545  -5.489
  499    HZ2  LYS  47           HZ2      LYS  47 -14.186 -11.756  -6.045
  500    HZ3  LYS  47           HZ3      LYS  47 -15.714 -11.189  -6.492
  501    H    LYS  48           HN       LYS  48  -9.032  -8.136  -7.379
  502    HA   LYS  48           HA       LYS  48  -8.358  -8.867  -9.424
  503    HB2  LYS  48           HB2      LYS  48 -10.052 -11.244  -8.640
  504    HB3  LYS  48           HB1      LYS  48  -8.873 -11.233  -9.944
  505    HG2  LYS  48           HG2      LYS  48  -7.105 -10.736  -8.304
  506    HG3  LYS  48           HG1      LYS  48  -8.305 -10.840  -7.015
  507    HD2  LYS  48           HD2      LYS  48  -8.759 -13.166  -7.625
  508    HD3  LYS  48           HD1      LYS  48  -7.567 -13.062  -8.922
  509    HE2  LYS  48           HE2      LYS  48  -6.594 -14.157  -6.999
  510    HE3  LYS  48           HE1      LYS  48  -5.824 -12.593  -7.247
  511    HZ1  LYS  48           HZ1      LYS  48  -7.263 -11.680  -5.506
  512    HZ2  LYS  48           HZ2      LYS  48  -6.287 -12.931  -4.927
  513    HZ3  LYS  48           HZ3      LYS  48  -7.923 -13.215  -5.242
  514    H    GLU  49           HN       GLU  49  -9.514  -7.184 -10.494
  515    HA   GLU  49           HA       GLU  49 -12.185  -7.736 -11.481
  516    HB2  GLU  49           HB2      GLU  49 -10.424  -5.305 -11.833
  517    HB3  GLU  49           HB1      GLU  49 -12.121  -5.418 -12.275
  518    HG2  GLU  49           HG2      GLU  49 -11.040  -5.664  -9.476
  519    HG3  GLU  49           HG1      GLU  49 -11.745  -4.205 -10.168
  Start of MODEL   14
    1    H1   MET -18           HT1      MET -18  13.440   3.914 -21.637
    2    H2   MET -18           HT2      MET -18  14.053   5.464 -21.364
    3    H3   MET -18           HT3      MET -18  12.679   4.940 -20.531
    4    HA   MET -18           HA       MET -18  13.944   3.274 -19.384
    5    HB2  MET -18           HB2      MET -18  16.334   3.114 -19.595
    6    HB3  MET -18           HB1      MET -18  15.633   2.960 -21.196
    7    HG2  MET -18           HG2      MET -18  16.899   5.451 -20.074
    8    HG3  MET -18           HG1      MET -18  17.659   4.324 -21.194
    9    HE1  MET -18           HE1      MET -18  17.023   7.510 -23.398
   10    HE2  MET -18           HE2      MET -18  18.224   6.332 -22.870
   11    HE3  MET -18           HE3      MET -18  17.503   7.439 -21.703
   12    H    ALA -17           HN       ALA -17  14.171   3.872 -17.337
   13    HA   ALA -17           HA       ALA -17  15.176   6.568 -16.742
   14    HB1  ALA -17           HB1      ALA -17  12.731   6.658 -16.663
   15    HB2  ALA -17           HB2      ALA -17  13.428   6.871 -15.058
   16    HB3  ALA -17           HB3      ALA -17  12.716   5.324 -15.512
   17    H    HIS -16           HN       HIS -16  13.938   3.712 -15.030
   18    HA   HIS -16           HA       HIS -16  14.809   2.373 -13.437
   19    HB2  HIS -16           HB2      HIS -16  16.520   2.114 -15.326
   20    HB3  HIS -16           HB1      HIS -16  17.550   3.187 -14.388
   21    HD1  HIS -16           HD1      HIS -16  16.070  -0.254 -14.359
   22    HD2  HIS -16           HD2      HIS -16  18.767   2.029 -12.170
   23    HE1  HIS -16           HE1      HIS -16  17.228  -1.869 -12.822
   24    HE2  HIS -16           HE2      HIS -16  18.723  -0.436 -11.386
   25    H    HIS -15           HN       HIS -15  13.941   4.225 -12.102
   26    HA   HIS -15           HA       HIS -15  16.067   5.105 -10.269
   27    HB2  HIS -15           HB2      HIS -15  13.671   6.680 -11.217
   28    HB3  HIS -15           HB1      HIS -15  14.553   7.093  -9.755
   29    HD1  HIS -15           HD1      HIS -15  16.783   8.290 -10.021
   30    HD2  HIS -15           HD2      HIS -15  15.068   7.164 -13.633
   31    HE1  HIS -15           HE1      HIS -15  18.108   9.478 -11.797
   32    HE2  HIS -15           HE2      HIS -15  16.931   8.929 -13.952
   33    H    HIS -14           HN       HIS -14  14.121   2.798 -10.419
   34    HA   HIS -14           HA       HIS -14  12.493   3.354  -8.037
   35    HB2  HIS -14           HB2      HIS -14  12.271   1.126 -10.069
   36    HB3  HIS -14           HB1      HIS -14  11.253   1.282  -8.648
   37    HD1  HIS -14           HD1      HIS -14  10.132   1.268 -11.550
   38    HD2  HIS -14           HD2      HIS -14  10.933   4.688  -9.327
   39    HE1  HIS -14           HE1      HIS -14   8.649   3.060 -12.504
   40    HE2  HIS -14           HE2      HIS -14   9.282   5.153 -11.260
   41    H    HIS -13           HN       HIS -13  15.462   2.489  -8.363
   42    HA   HIS -13           HA       HIS -13  15.591  -0.142  -7.271
   43    HB2  HIS -13           HB2      HIS -13  17.419   0.948  -8.611
   44    HB3  HIS -13           HB1      HIS -13  17.758   1.966  -7.216
   45    HD1  HIS -13           HD1      HIS -13  18.522  -1.290  -8.679
   46    HD2  HIS -13           HD2      HIS -13  18.720   0.453  -4.913
   47    HE1  HIS -13           HE1      HIS -13  20.032  -2.776  -7.329
   48    HE2  HIS -13           HE2      HIS -13  19.988  -1.800  -5.007
   49    H    HIS -12           HN       HIS -12  15.973   3.106  -5.866
   50    HA   HIS -12           HA       HIS -12  15.526   1.881  -3.230
   51    HB2  HIS -12           HB2      HIS -12  17.964   2.424  -3.633
   52    HB3  HIS -12           HB1      HIS -12  17.500   4.120  -3.694
   53    HD1  HIS -12           HD1      HIS -12  17.326   5.323  -1.498
   54    HD2  HIS -12           HD2      HIS -12  17.475   1.198  -1.042
   55    HE1  HIS -12           HE1      HIS -12  17.536   4.922   0.974
   56    HE2  HIS -12           HE2      HIS -12  17.792   2.430   1.204
   57    H    HIS -11           HN       HIS -11  15.503   4.873  -5.142
   58    HA   HIS -11           HA       HIS -11  14.147   6.479  -3.287
   59    HB2  HIS -11           HB2      HIS -11  14.397   6.578  -6.279
   60    HB3  HIS -11           HB1      HIS -11  13.348   7.711  -5.435
   61    HD1  HIS -11           HD1      HIS -11  14.434   9.675  -4.298
   62    HD2  HIS -11           HD2      HIS -11  17.189   6.866  -5.634
   63    HE1  HIS -11           HE1      HIS -11  16.688  10.760  -4.042
   64    HE2  HIS -11           HE2      HIS -11  18.338   8.968  -4.676
   65    H    SER -10           HN       SER -10  12.923   4.368  -5.835
   66    HA   SER -10           HA       SER -10  10.291   4.508  -4.529
   67    HB2  SER -10           HB2      SER -10  10.723   3.977  -7.471
   68    HB3  SER -10           HB1      SER -10   9.205   4.331  -6.649
   69    HG   SER -10           HG       SER -10   9.870   6.428  -6.333
   70    H    SER  -9           HN       SER  -9  11.931   2.730  -3.498
   71    HA   SER  -9           HA       SER  -9  12.187   0.264  -4.829
   72    HB2  SER  -9           HB2      SER  -9  13.506   0.960  -2.816
   73    HB3  SER  -9           HB1      SER  -9  12.061   0.717  -1.837
   74    HG   SER  -9           HG       SER  -9  12.656  -1.284  -1.732
   75    H    GLY  -8           HN       GLY  -8   9.815   1.378  -2.402
   76    HA2  GLY  -8           HA2      GLY  -8   7.603   0.374  -3.746
   77    HA3  GLY  -8           HA1      GLY  -8   8.145  -0.910  -2.675
   78    H    LEU  -7           HN       LEU  -7   8.595  -0.103  -0.370
   79    HA   LEU  -7           HA       LEU  -7   6.106   1.187   0.430
   80    HB2  LEU  -7           HB2      LEU  -7   6.689   0.239   2.707
   81    HB3  LEU  -7           HB1      LEU  -7   6.268  -0.910   1.460
   82    HG   LEU  -7           HG       LEU  -7   9.156  -0.321   2.023
   83   HD11  LEU  -7          HD11      LEU  -7   9.159  -2.139   3.664
   84   HD12  LEU  -7          HD12      LEU  -7   7.400  -2.242   3.550
   85   HD13  LEU  -7          HD13      LEU  -7   8.160  -0.787   4.197
   86   HD21  LEU  -7          HD21      LEU  -7   8.558  -1.688   0.063
   87   HD22  LEU  -7          HD22      LEU  -7   7.691  -2.802   1.116
   88   HD23  LEU  -7          HD23      LEU  -7   9.438  -2.622   1.270
   89    H    GLU  -6           HN       GLU  -6   7.398   3.158  -0.389
   90    HA   GLU  -6           HA       GLU  -6   9.361   4.207   1.474
   91    HB2  GLU  -6           HB2      GLU  -6   8.172   5.704  -0.851
   92    HB3  GLU  -6           HB1      GLU  -6   9.752   5.912  -0.112
   93    HG2  GLU  -6           HG2      GLU  -6   8.848   3.621  -1.840
   94    HG3  GLU  -6           HG1      GLU  -6   9.997   4.886  -2.266
   95    H    VAL  -5           HN       VAL  -5   7.111   3.931   2.915
   96    HA   VAL  -5           HA       VAL  -5   6.292   6.676   3.415
   97    HB   VAL  -5           HB       VAL  -5   4.562   5.983   1.859
   98   HG11  VAL  -5          HG11      VAL  -5   3.126   4.064   2.268
   99   HG12  VAL  -5          HG12      VAL  -5   4.088   3.637   3.682
  100   HG13  VAL  -5          HG13      VAL  -5   4.810   3.570   2.074
  101   HG21  VAL  -5          HG21      VAL  -5   3.547   5.943   4.693
  102   HG22  VAL  -5          HG22      VAL  -5   2.570   6.239   3.256
  103   HG23  VAL  -5          HG23      VAL  -5   3.842   7.375   3.705
  104    H    LEU  -4           HN       LEU  -4   6.456   7.007   5.547
  105    HA   LEU  -4           HA       LEU  -4   5.597   4.904   7.378
  106    HB2  LEU  -4           HB2      LEU  -4   8.057   4.638   6.942
  107    HB3  LEU  -4           HB1      LEU  -4   8.295   6.226   7.644
  108    HG   LEU  -4           HG       LEU  -4   7.306   5.369   9.774
  109   HD11  LEU  -4          HD11      LEU  -4   6.013   3.520   8.896
  110   HD12  LEU  -4          HD12      LEU  -4   7.186   2.933  10.075
  111   HD13  LEU  -4          HD13      LEU  -4   7.486   2.718   8.350
  112   HD21  LEU  -4          HD21      LEU  -4   9.713   5.527   9.474
  113   HD22  LEU  -4          HD22      LEU  -4   9.740   3.925   8.740
  114   HD23  LEU  -4          HD23      LEU  -4   9.296   4.110  10.436
  115    H    PHE  -3           HN       PHE  -3   4.029   6.987   7.079
  116    HA   PHE  -3           HA       PHE  -3   4.416   8.414   9.586
  117    HB2  PHE  -3           HB2      PHE  -3   3.817  10.595   8.551
  118    HB3  PHE  -3           HB1      PHE  -3   5.368   9.964   8.022
  119    HD1  PHE  -3           HD1      PHE  -3   5.638   9.093   5.735
  120    HD2  PHE  -3           HD2      PHE  -3   2.006  10.897   7.026
  121    HE1  PHE  -3           HE1      PHE  -3   4.925   9.330   3.393
  122    HE2  PHE  -3           HE2      PHE  -3   1.291  11.141   4.686
  123    HZ   PHE  -3           HZ       PHE  -3   2.797  10.430   2.860
  124    H    GLN  -2           HN       GLN  -2   2.580   6.313   8.802
  125    HA   GLN  -2           HA       GLN  -2   0.191   7.266   9.882
  126    HB2  GLN  -2           HB2      GLN  -2   0.425   7.746   7.033
  127    HB3  GLN  -2           HB1      GLN  -2  -0.924   6.674   7.380
  128    HG2  GLN  -2           HG2      GLN  -2  -0.498   9.327   8.732
  129    HG3  GLN  -2           HG1      GLN  -2  -1.504   9.094   7.304
  130   HE21  GLN  -2          HE21      GLN  -2  -3.321   9.811   8.424
  131   HE22  GLN  -2          HE22      GLN  -2  -4.118   8.827   9.599
  132    H    GLY  -1           HN       GLY  -1   1.316   5.113  10.693
  133    HA2  GLY  -1           HA2      GLY  -1  -0.048   3.067  11.127
  134    HA3  GLY  -1           HA1      GLY  -1  -0.119   2.883   9.383
  135    HA   PRO   0           HA       PRO   0   4.010   1.266  11.135
  136    HB2  PRO   0           HB2      PRO   0   3.563  -0.614  13.012
  137    HB3  PRO   0           HB1      PRO   0   3.708   1.101  13.399
  138    HG2  PRO   0           HG2      PRO   0   1.293  -0.611  13.283
  139    HG3  PRO   0           HG1      PRO   0   1.619   0.812  14.283
  140    HD2  PRO   0           HD2      PRO   0   0.086   0.723  11.917
  141    HD3  PRO   0           HD1      PRO   0   0.634   2.176  12.772
  142    H    ARG   1           HN       ARG   1   1.504  -1.264  11.515
  143    HA   ARG   1           HA       ARG   1   2.018  -2.626   9.111
  144    HB2  ARG   1           HB2      ARG   1   4.226  -2.926  10.390
  145    HB3  ARG   1           HB1      ARG   1   3.320  -3.931  11.507
  146    HG2  ARG   1           HG2      ARG   1   2.767  -5.462   9.687
  147    HG3  ARG   1           HG1      ARG   1   3.674  -4.449   8.562
  148    HD2  ARG   1           HD2      ARG   1   5.713  -4.854   9.833
  149    HD3  ARG   1           HD1      ARG   1   4.809  -5.826  10.992
  150    HE   ARG   1           HE       ARG   1   4.360  -6.952   8.507
  151   HH11  ARG   1          HH11      ARG   1   7.102  -6.337  10.587
  152   HH12  ARG   1          HH12      ARG   1   8.009  -7.699  10.009
  153   HH21  ARG   1          HH21      ARG   1   5.541  -8.773   7.765
  154   HH22  ARG   1          HH22      ARG   1   7.117  -9.091   8.422
  155    H    ARG   2           HN       ARG   2   1.188  -5.094   9.491
  156    HA   ARG   2           HA       ARG   2  -0.616  -5.438  11.682
  157    HB2  ARG   2           HB2      ARG   2  -1.744  -3.775   9.969
  158    HB3  ARG   2           HB1      ARG   2  -2.049  -5.245   9.066
  159    HG2  ARG   2           HG2      ARG   2  -3.332  -6.159  10.837
  160    HG3  ARG   2           HG1      ARG   2  -2.895  -4.812  11.878
  161    HD2  ARG   2           HD2      ARG   2  -4.023  -3.264  10.360
  162    HD3  ARG   2           HD1      ARG   2  -4.470  -4.617   9.326
  163    HE   ARG   2           HE       ARG   2  -5.620  -5.405  11.539
  164   HH11  ARG   2          HH11      ARG   2  -5.424  -2.151  10.267
  165   HH12  ARG   2          HH12      ARG   2  -6.945  -1.658  10.943
  166   HH21  ARG   2          HH21      ARG   2  -7.618  -4.754  12.445
  167   HH22  ARG   2          HH22      ARG   2  -8.192  -3.134  12.181
  168    H    ALA   3           HN       ALA   3   1.508  -6.717  10.027
  169    HA   ALA   3           HA       ALA   3   2.158  -8.768   9.299
  170    HB1  ALA   3           HB1      ALA   3   1.269 -10.668  10.534
  171    HB2  ALA   3           HB2      ALA   3  -0.049  -9.663  11.139
  172    HB3  ALA   3           HB3      ALA   3   1.616  -9.304  11.596
  173    H    GLY   4           HN       GLY   4  -1.034 -10.144   9.640
  174    HA2  GLY   4           HA2      GLY   4  -0.908 -10.738   6.741
  175    HA3  GLY   4           HA1      GLY   4  -1.451 -11.872   7.961
  176    H    THR   5           HN       THR   5  -2.294  -8.525   7.000
  177    HA   THR   5           HA       THR   5  -5.117  -9.253   7.383
  178    HB   THR   5           HB       THR   5  -4.045  -6.438   7.034
  179    HG1  THR   5           HG1      THR   5  -3.095  -7.816   8.846
  180   HG21  THR   5          HG21      THR   5  -6.437  -6.480   6.936
  181   HG22  THR   5          HG22      THR   5  -6.026  -5.982   8.579
  182   HG23  THR   5          HG23      THR   5  -6.544  -7.631   8.269
  183    H    CYS   6           HN       CYS   6  -6.438  -7.522   5.770
  184    HA   CYS   6           HA       CYS   6  -5.397  -8.011   3.053
  185    HB2  CYS   6           HB2      CYS   6  -7.908  -7.968   2.445
  186    HB3  CYS   6           HB1      CYS   6  -7.264  -9.386   3.239
  187    HG   CYS   6           HG       CYS   6  -8.733  -9.302   5.370
  188    H    CYS   7           HN       CYS   7  -5.864  -6.432   1.421
  189    HA   CYS   7           HA       CYS   7  -5.728  -3.792   2.576
  190    HB2  CYS   7           HB2      CYS   7  -4.263  -4.341   0.660
  191    HB3  CYS   7           HB1      CYS   7  -5.658  -4.546  -0.353
  192    H    ALA   8           HN       ALA   8  -7.360  -2.398   2.851
  193    HA   ALA   8           HA       ALA   8 -10.035  -2.774   2.149
  194    HB1  ALA   8           HB1      ALA   8  -9.230  -1.310   3.977
  195    HB2  ALA   8           HB2      ALA   8 -10.410  -0.536   2.914
  196    HB3  ALA   8           HB3      ALA   8  -8.700  -0.153   2.750
  197    H    ASN   9           HN       ASN   9  -8.206  -2.875  -0.156
  198    HA   ASN   9           HA       ASN   9  -9.684  -1.275  -2.016
  199    HB2  ASN   9           HB2      ASN   9  -8.110   0.405  -1.304
  200    HB3  ASN   9           HB1      ASN   9  -6.734  -0.723  -1.532
  201   HD21  ASN   9          HD21      ASN   9  -5.984  -1.113  -3.604
  202   HD22  ASN   9          HD22      ASN   9  -6.448  -0.190  -4.971
  203    H    CYS  10           HN       CYS  10  -6.845  -3.385  -1.491
  204    HA   CYS  10           HA       CYS  10  -7.259  -4.402  -4.217
  205    HB2  CYS  10           HB2      CYS  10  -4.705  -4.801  -2.633
  206    HB3  CYS  10           HB1      CYS  10  -4.987  -4.892  -4.397
  207    H    GLN  11           HN       GLN  11  -7.959  -5.215  -1.123
  208    HA   GLN  11           HA       GLN  11  -7.903  -7.011   0.247
  209    HB2  GLN  11           HB2      GLN  11  -9.190  -7.854  -2.306
  210    HB3  GLN  11           HB1      GLN  11  -9.079  -8.987  -0.963
  211    HG2  GLN  11           HG2      GLN  11 -10.190  -7.278   0.465
  212    HG3  GLN  11           HG1      GLN  11 -10.418  -6.295  -0.977
  213   HE21  GLN  11          HE21      GLN  11 -10.901  -8.644  -2.664
  214   HE22  GLN  11          HE22      GLN  11 -12.497  -9.182  -2.276
  215    H    THR  12           HN       THR  12  -5.426  -6.869  -1.655
  216    HA   THR  12           HA       THR  12  -4.419  -9.486  -1.691
  217    HB   THR  12           HB       THR  12  -3.404  -7.468  -2.919
  218    HG1  THR  12           HG1      THR  12  -1.466  -8.487  -2.942
  219   HG21  THR  12          HG21      THR  12  -2.066  -7.037  -0.229
  220   HG22  THR  12          HG22      THR  12  -3.292  -5.968  -0.916
  221   HG23  THR  12          HG23      THR  12  -1.731  -6.157  -1.721
  222    H    THR  13           HN       THR  13  -2.906 -10.392  -0.266
  223    HA   THR  13           HA       THR  13  -2.912  -9.251   2.435
  224    HB   THR  13           HB       THR  13  -2.862 -11.653   3.267
  225    HG1  THR  13           HG1      THR  13  -4.024 -12.240   0.732
  226   HG21  THR  13          HG21      THR  13  -5.262 -11.829   3.252
  227   HG22  THR  13          HG22      THR  13  -5.369 -10.822   1.808
  228   HG23  THR  13          HG23      THR  13  -4.838 -10.111   3.335
  229    H    THR  14           HN       THR  14  -1.166  -9.779  -0.140
  230    HA   THR  14           HA       THR  14   1.266 -10.576   1.231
  231    HB   THR  14           HB       THR  14   1.532  -9.782  -1.563
  232    HG1  THR  14           HG1      THR  14  -0.312 -11.869  -0.900
  233   HG21  THR  14          HG21      THR  14   2.536 -11.977  -1.751
  234   HG22  THR  14          HG22      THR  14   1.894 -12.426  -0.172
  235   HG23  THR  14          HG23      THR  14   3.126 -11.165  -0.300
  236    H    THR  15           HN       THR  15   1.203  -8.598   2.526
  237    HA   THR  15           HA       THR  15   2.602  -6.471   1.151
  238    HB   THR  15           HB       THR  15   0.078  -5.706   2.666
  239    HG1  THR  15           HG1      THR  15   0.516  -6.417   0.039
  240   HG21  THR  15          HG21      THR  15   1.760  -4.024   2.824
  241   HG22  THR  15          HG22      THR  15   0.597  -3.505   1.607
  242   HG23  THR  15          HG23      THR  15   2.149  -4.173   1.113
  243    H    THR  16           HN       THR  16   4.092  -5.505   2.444
  244    HA   THR  16           HA       THR  16   4.346  -6.642   5.118
  245    HB   THR  16           HB       THR  16   6.393  -4.926   3.707
  246    HG1  THR  16           HG1      THR  16   5.486  -7.002   2.611
  247   HG21  THR  16          HG21      THR  16   6.776  -5.406   6.091
  248   HG22  THR  16          HG22      THR  16   7.973  -6.207   5.072
  249   HG23  THR  16          HG23      THR  16   6.640  -7.133   5.763
  250    H    LEU  17           HN       LEU  17   3.160  -3.818   3.726
  251    HA   LEU  17           HA       LEU  17   3.646  -2.308   6.255
  252    HB2  LEU  17           HB2      LEU  17   5.126  -1.562   4.400
  253    HB3  LEU  17           HB1      LEU  17   3.710  -1.166   3.457
  254    HG   LEU  17           HG       LEU  17   3.122   0.627   4.918
  255   HD11  LEU  17          HD11      LEU  17   3.613  -0.422   7.049
  256   HD12  LEU  17          HD12      LEU  17   4.434   1.136   6.940
  257   HD13  LEU  17          HD13      LEU  17   5.341  -0.359   6.703
  258   HD21  LEU  17          HD21      LEU  17   4.902   1.098   3.303
  259   HD22  LEU  17          HD22      LEU  17   6.107   0.651   4.511
  260   HD23  LEU  17          HD23      LEU  17   5.078   2.059   4.771
  261    H    TRP  18           HN       TRP  18   1.558  -2.840   6.960
  262    HA   TRP  18           HA       TRP  18  -0.712  -2.028   5.417
  263    HB2  TRP  18           HB2      TRP  18  -0.598  -3.201   8.185
  264    HB3  TRP  18           HB1      TRP  18  -2.037  -2.927   7.277
  265    HD1  TRP  18           HD1      TRP  18   0.744  -5.400   7.664
  266    HE1  TRP  18           HE1      TRP  18   0.291  -7.398   6.181
  267    HE3  TRP  18           HE3      TRP  18  -3.156  -3.564   4.894
  268    HZ2  TRP  18           HZ2      TRP  18  -1.434  -8.167   4.150
  269    HZ3  TRP  18           HZ3      TRP  18  -4.202  -5.037   3.217
  270    HH2  TRP  18           HH2      TRP  18  -3.359  -7.255   2.810
  271    H    ARG  19           HN       ARG  19  -0.693   0.158   5.305
  272    HA   ARG  19           HA       ARG  19  -0.701   1.808   7.755
  273    HB2  ARG  19           HB2      ARG  19  -1.428   3.239   5.329
  274    HB3  ARG  19           HB1      ARG  19  -0.004   3.421   6.349
  275    HG2  ARG  19           HG2      ARG  19   0.727   1.212   5.130
  276    HG3  ARG  19           HG1      ARG  19  -0.364   1.814   3.879
  277    HD2  ARG  19           HD2      ARG  19   1.785   2.622   3.326
  278    HD3  ARG  19           HD1      ARG  19   0.933   4.005   4.008
  279    HE   ARG  19           HE       ARG  19   3.103   2.480   5.254
  280   HH11  ARG  19          HH11      ARG  19   0.884   5.172   5.399
  281   HH12  ARG  19          HH12      ARG  19   1.621   5.870   6.798
  282   HH21  ARG  19          HH21      ARG  19   4.096   3.392   7.067
  283   HH22  ARG  19          HH22      ARG  19   3.455   4.836   7.771
  284    H    ARG  20           HN       ARG  20  -2.534   3.557   7.799
  285    HA   ARG  20           HA       ARG  20  -5.070   2.113   7.545
  286    HB2  ARG  20           HB2      ARG  20  -5.759   3.067   9.473
  287    HB3  ARG  20           HB1      ARG  20  -4.057   3.352   9.738
  288    HG2  ARG  20           HG2      ARG  20  -4.391   5.650   8.745
  289    HG3  ARG  20           HG1      ARG  20  -6.116   5.319   8.765
  290    HD2  ARG  20           HD2      ARG  20  -5.766   6.443  10.765
  291    HD3  ARG  20           HD1      ARG  20  -5.767   4.745  11.232
  292    HE   ARG  20           HE       ARG  20  -3.201   6.052  10.714
  293   HH11  ARG  20          HH11      ARG  20  -5.476   4.669  12.996
  294   HH12  ARG  20          HH12      ARG  20  -4.315   4.553  14.277
  295   HH21  ARG  20          HH21      ARG  20  -1.675   5.914  12.414
  296   HH22  ARG  20          HH22      ARG  20  -2.157   5.264  13.949
  297    H    ASN  21           HN       ASN  21  -6.907   3.080   6.708
  298    HA   ASN  21           HA       ASN  21  -6.377   5.282   4.833
  299    HB2  ASN  21           HB2      ASN  21  -8.136   4.597   3.441
  300    HB3  ASN  21           HB1      ASN  21  -7.458   3.046   4.002
  301   HD21  ASN  21          HD21      ASN  21  -9.792   2.694   3.010
  302   HD22  ASN  21          HD22      ASN  21 -11.050   2.639   4.176
  303    H    ALA  22           HN       ALA  22  -9.116   6.231   4.524
  304    HA   ALA  22           HA       ALA  22  -8.940   8.341   6.306
  305    HB1  ALA  22           HB1      ALA  22 -11.119   9.010   5.514
  306    HB2  ALA  22           HB2      ALA  22 -11.409   7.393   4.877
  307    HB3  ALA  22           HB3      ALA  22 -10.146   8.403   4.178
  308    H    ASN  23           HN       ASN  23 -10.738   5.326   6.726
  309    HA   ASN  23           HA       ASN  23 -11.926   6.429   9.170
  310    HB2  ASN  23           HB2      ASN  23 -13.385   5.367   7.308
  311    HB3  ASN  23           HB1      ASN  23 -12.755   3.864   7.925
  312   HD21  ASN  23          HD21      ASN  23 -14.758   6.570   8.586
  313   HD22  ASN  23          HD22      ASN  23 -15.542   5.891   9.960
  314    H    GLY  24           HN       GLY  24  -9.337   4.997   8.170
  315    HA2  GLY  24           HA2      GLY  24  -7.636   4.063   9.422
  316    HA3  GLY  24           HA1      GLY  24  -8.787   3.744  10.716
  317    H    ASP  25           HN       ASP  25  -9.215   2.832   7.388
  318    HA   ASP  25           HA       ASP  25  -9.349   0.040   8.233
  319    HB2  ASP  25           HB2      ASP  25 -10.882   1.350   6.411
  320    HB3  ASP  25           HB1      ASP  25  -9.681   0.596   5.352
  321    HA   PRO  26           HA       PRO  26  -5.289  -0.972   7.171
  322    HB2  PRO  26           HB2      PRO  26  -5.736  -3.596   6.340
  323    HB3  PRO  26           HB1      PRO  26  -5.586  -3.064   8.044
  324    HG2  PRO  26           HG2      PRO  26  -8.023  -3.666   6.425
  325    HG3  PRO  26           HG1      PRO  26  -7.722  -3.932   8.162
  326    HD2  PRO  26           HD2      PRO  26  -9.256  -1.861   7.236
  327    HD3  PRO  26           HD1      PRO  26  -8.302  -1.764   8.720
  328    H    VAL  27           HN       VAL  27  -3.997  -0.682   5.444
  329    HA   VAL  27           HA       VAL  27  -5.035  -1.455   2.800
  330    HB   VAL  27           HB       VAL  27  -3.931   0.761   1.892
  331   HG11  VAL  27          HG11      VAL  27  -6.127   1.823   1.798
  332   HG12  VAL  27          HG12      VAL  27  -6.716   0.701   3.021
  333   HG13  VAL  27          HG13      VAL  27  -6.220   0.097   1.435
  334   HG21  VAL  27          HG21      VAL  27  -4.512   2.731   3.220
  335   HG22  VAL  27          HG22      VAL  27  -3.290   1.753   4.008
  336   HG23  VAL  27          HG23      VAL  27  -4.957   1.689   4.573
  337    H    CYS  28           HN       CYS  28  -3.493  -1.897   1.270
  338    HA   CYS  28           HA       CYS  28  -1.001  -2.772   2.278
  339    HB2  CYS  28           HB2      CYS  28  -0.772  -3.727   0.092
  340    HB3  CYS  28           HB1      CYS  28  -2.495  -3.644   0.329
  341    H    ASN  29           HN       ASN  29   1.176  -1.917   1.033
  342    HA   ASN  29           HA       ASN  29   1.432   0.630   2.090
  343    HB2  ASN  29           HB2      ASN  29   3.645   0.021   1.964
  344    HB3  ASN  29           HB1      ASN  29   3.189  -1.318   0.891
  345   HD21  ASN  29          HD21      ASN  29   3.667   2.286   0.681
  346   HD22  ASN  29          HD22      ASN  29   4.504   2.188  -0.810
  347    H    ALA  30           HN       ALA  30   1.283  -0.297  -1.297
  348    HA   ALA  30           HA       ALA  30   1.576   2.194  -2.418
  349    HB1  ALA  30           HB1      ALA  30  -0.352   0.121  -3.390
  350    HB2  ALA  30           HB2      ALA  30   1.374   0.180  -3.755
  351    HB3  ALA  30           HB3      ALA  30   0.306   1.471  -4.311
  352    H    CYS  31           HN       CYS  31  -1.297   0.915  -0.858
  353    HA   CYS  31           HA       CYS  31  -2.964   3.080  -1.764
  354    HB2  CYS  31           HB2      CYS  31  -3.486   0.841   0.124
  355    HB3  CYS  31           HB1      CYS  31  -4.668   2.044  -0.312
  356    H    GLY  32           HN       GLY  32  -1.561   2.153   1.376
  357    HA2  GLY  32           HA2      GLY  32  -2.513   4.594   2.589
  358    HA3  GLY  32           HA1      GLY  32  -1.281   3.509   3.289
  359    H    LEU  33           HN       LEU  33   0.271   3.730   0.699
  360    HA   LEU  33           HA       LEU  33   1.724   6.112   1.335
  361    HB2  LEU  33           HB2      LEU  33   2.763   4.084   0.349
  362    HB3  LEU  33           HB1      LEU  33   1.936   4.415  -1.143
  363    HG   LEU  33           HG       LEU  33   3.592   6.614  -0.183
  364   HD11  LEU  33          HD11      LEU  33   5.004   4.691   0.446
  365   HD12  LEU  33          HD12      LEU  33   5.679   5.589  -0.910
  366   HD13  LEU  33          HD13      LEU  33   4.844   4.063  -1.191
  367   HD21  LEU  33          HD21      LEU  33   2.420   6.564  -2.333
  368   HD22  LEU  33          HD22      LEU  33   3.346   5.130  -2.776
  369   HD23  LEU  33          HD23      LEU  33   4.168   6.673  -2.542
  370    H    TYR  34           HN       TYR  34  -0.523   5.077  -1.254
  371    HA   TYR  34           HA       TYR  34  -0.080   7.491  -2.610
  372    HB2  TYR  34           HB2      TYR  34  -0.551   5.462  -3.831
  373    HB3  TYR  34           HB1      TYR  34  -2.114   5.317  -3.053
  374    HD1  TYR  34           HD1      TYR  34  -3.950   6.792  -3.672
  375    HD2  TYR  34           HD2      TYR  34  -0.218   6.869  -5.695
  376    HE1  TYR  34           HE1      TYR  34  -4.978   8.091  -5.489
  377    HE2  TYR  34           HE2      TYR  34  -1.229   8.188  -7.500
  378    HH   TYR  34           HH       TYR  34  -4.289   9.635  -7.270
  379    H    TYR  35           HN       TYR  35  -2.806   6.236  -0.693
  380    HA   TYR  35           HA       TYR  35  -4.446   8.497  -1.063
  381    HB2  TYR  35           HB2      TYR  35  -5.218   6.348  -0.045
  382    HB3  TYR  35           HB1      TYR  35  -4.320   6.766   1.399
  383    HD1  TYR  35           HD1      TYR  35  -7.402   7.134  -0.339
  384    HD2  TYR  35           HD2      TYR  35  -4.978   8.838   2.668
  385    HE1  TYR  35           HE1      TYR  35  -9.316   8.373   0.486
  386    HE2  TYR  35           HE2      TYR  35  -6.873  10.081   3.544
  387    HH   TYR  35           HH       TYR  35 -10.122   9.522   2.351
  388    H    LYS  36           HN       LYS  36  -1.629   8.009   0.926
  389    HA   LYS  36           HA       LYS  36  -2.166  10.130   2.710
  390    HB2  LYS  36           HB2      LYS  36   0.141   8.455   1.971
  391    HB3  LYS  36           HB1      LYS  36   0.506   9.987   2.725
  392    HG2  LYS  36           HG2      LYS  36   0.050   7.663   4.038
  393    HG3  LYS  36           HG1      LYS  36  -0.044   9.262   4.705
  394    HD2  LYS  36           HD2      LYS  36  -1.908   7.947   5.380
  395    HD3  LYS  36           HD1      LYS  36  -2.463   9.285   4.405
  396    HE2  LYS  36           HE2      LYS  36  -2.852   7.777   2.563
  397    HE3  LYS  36           HE1      LYS  36  -2.108   6.444   3.445
  398    HZ1  LYS  36           HZ1      LYS  36  -4.552   6.392   3.491
  399    HZ2  LYS  36           HZ2      LYS  36  -4.565   7.865   4.319
  400    HZ3  LYS  36           HZ3      LYS  36  -3.881   6.496   5.040
  401    H    LEU  37           HN       LEU  37  -0.659   9.836  -0.399
  402    HA   LEU  37           HA       LEU  37   0.389  12.502  -0.421
  403    HB2  LEU  37           HB2      LEU  37  -0.015  10.883  -2.910
  404    HB3  LEU  37           HB1      LEU  37   1.296  11.985  -2.496
  405    HG   LEU  37           HG       LEU  37   0.910   9.324  -1.162
  406   HD11  LEU  37          HD11      LEU  37   2.717   8.524  -2.661
  407   HD12  LEU  37          HD12      LEU  37   2.531  10.001  -3.605
  408   HD13  LEU  37          HD13      LEU  37   1.199   8.851  -3.491
  409   HD21  LEU  37          HD21      LEU  37   3.237   9.575  -0.560
  410   HD22  LEU  37          HD22      LEU  37   2.315  10.968   0.008
  411   HD23  LEU  37          HD23      LEU  37   3.319  11.101  -1.437
  412    H    HIS  38           HN       HIS  38  -2.430  10.799  -1.642
  413    HA   HIS  38           HA       HIS  38  -3.176  13.192  -3.182
  414    HB2  HIS  38           HB2      HIS  38  -3.311  10.283  -3.942
  415    HB3  HIS  38           HB1      HIS  38  -4.131  11.540  -4.851
  416    HD1  HIS  38           HD1      HIS  38  -1.927   9.912  -6.231
  417    HD2  HIS  38           HD2      HIS  38  -1.216  13.463  -4.208
  418    HE1  HIS  38           HE1      HIS  38   0.293  10.742  -7.072
  419    HE2  HIS  38           HE2      HIS  38   0.746  12.833  -5.762
  420    H    ASN  39           HN       ASN  39  -4.172  11.367  -0.634
  421    HA   ASN  39           HA       ASN  39  -6.130  11.271   0.568
  422    HB2  ASN  39           HB2      ASN  39  -6.001  13.735  -0.492
  423    HB3  ASN  39           HB1      ASN  39  -7.542  13.214  -1.142
  424   HD21  ASN  39          HD21      ASN  39  -8.050  11.503   1.272
  425   HD22  ASN  39          HD22      ASN  39  -8.474  12.616   2.523
  426    H    VAL  40           HN       VAL  40  -5.824   9.587  -1.796
  427    HA   VAL  40           HA       VAL  40  -8.579   8.783  -2.082
  428    HB   VAL  40           HB       VAL  40  -8.221   8.485  -4.635
  429   HG11  VAL  40          HG11      VAL  40  -9.972   9.852  -3.726
  430   HG12  VAL  40          HG12      VAL  40  -9.209  10.699  -5.070
  431   HG13  VAL  40          HG13      VAL  40  -8.834  11.161  -3.411
  432   HG21  VAL  40          HG21      VAL  40  -6.851  10.003  -5.771
  433   HG22  VAL  40          HG22      VAL  40  -5.836   9.392  -4.469
  434   HG23  VAL  40          HG23      VAL  40  -6.581  10.981  -4.324
  435    H    ASN  41           HN       ASN  41  -8.764   6.716  -3.270
  436    HA   ASN  41           HA       ASN  41  -6.925   4.872  -2.166
  437    HB2  ASN  41           HB2      ASN  41  -8.269   3.270  -3.703
  438    HB3  ASN  41           HB1      ASN  41  -9.075   4.023  -2.332
  439   HD21  ASN  41          HD21      ASN  41 -10.722   5.327  -2.658
  440   HD22  ASN  41          HD22      ASN  41 -11.369   5.756  -4.201
  441    H    ARG  42           HN       ARG  42  -6.000   3.100  -3.572
  442    HA   ARG  42           HA       ARG  42  -4.314   4.468  -5.519
  443    HB2  ARG  42           HB2      ARG  42  -3.162   3.336  -3.708
  444    HB3  ARG  42           HB1      ARG  42  -3.961   1.836  -4.085
  445    HG2  ARG  42           HG2      ARG  42  -1.738   1.720  -4.920
  446    HG3  ARG  42           HG1      ARG  42  -2.837   1.839  -6.294
  447    HD2  ARG  42           HD2      ARG  42  -2.352   4.232  -6.463
  448    HD3  ARG  42           HD1      ARG  42  -1.253   4.102  -5.094
  449    HE   ARG  42           HE       ARG  42  -0.791   2.577  -7.570
  450   HH11  ARG  42          HH11      ARG  42   0.317   4.817  -5.120
  451   HH12  ARG  42          HH12      ARG  42   1.920   4.934  -5.760
  452   HH21  ARG  42          HH21      ARG  42   1.329   2.710  -8.410
  453   HH22  ARG  42          HH22      ARG  42   2.508   3.704  -7.615
  454    HA   PRO  43           HA       PRO  43  -6.690   2.183  -8.690
  455    HB2  PRO  43           HB2      PRO  43  -4.736   3.784 -10.280
  456    HB3  PRO  43           HB1      PRO  43  -6.469   3.545 -10.547
  457    HG2  PRO  43           HG2      PRO  43  -5.619   5.851  -9.581
  458    HG3  PRO  43           HG1      PRO  43  -7.059   5.076  -8.890
  459    HD2  PRO  43           HD2      PRO  43  -4.255   5.134  -7.820
  460    HD3  PRO  43           HD1      PRO  43  -5.823   5.380  -6.955
  461    H    LEU  44           HN       LEU  44  -5.998   0.177  -9.073
  462    HA   LEU  44           HA       LEU  44  -3.217  -0.448  -9.380
  463    HB2  LEU  44           HB2      LEU  44  -3.752   0.208  -6.923
  464    HB3  LEU  44           HB1      LEU  44  -4.479  -1.375  -6.834
  465    HG   LEU  44           HG       LEU  44  -2.342  -2.431  -7.276
  466   HD11  LEU  44          HD11      LEU  44  -1.362  -0.797  -8.777
  467   HD12  LEU  44          HD12      LEU  44  -0.289  -1.067  -7.404
  468   HD13  LEU  44          HD13      LEU  44  -1.285   0.388  -7.475
  469   HD21  LEU  44          HD21      LEU  44  -1.116  -1.528  -5.245
  470   HD22  LEU  44          HD22      LEU  44  -2.780  -2.046  -4.988
  471   HD23  LEU  44          HD23      LEU  44  -2.408  -0.323  -5.120
  472    H    THR  45           HN       THR  45  -5.860  -2.123  -7.770
  473    HA   THR  45           HA       THR  45  -5.968  -4.079  -9.932
  474    HB   THR  45           HB       THR  45  -5.998  -5.917  -8.138
  475    HG1  THR  45           HG1      THR  45  -4.366  -4.375  -6.529
  476   HG21  THR  45          HG21      THR  45  -3.420  -4.424  -8.642
  477   HG22  THR  45          HG22      THR  45  -4.127  -5.666  -9.675
  478   HG23  THR  45          HG23      THR  45  -3.545  -6.085  -8.065
  479    H    MET  46           HN       MET  46  -7.608  -5.867  -8.133
  480    HA   MET  46           HA       MET  46  -9.945  -4.205  -7.649
  481    HB2  MET  46           HB2      MET  46 -10.014  -4.979 -10.046
  482    HB3  MET  46           HB1      MET  46 -10.067  -6.632  -9.454
  483    HG2  MET  46           HG2      MET  46 -12.275  -5.759 -10.086
  484    HG3  MET  46           HG1      MET  46 -12.184  -6.238  -8.394
  485    HE1  MET  46           HE1      MET  46 -10.755  -2.948 -10.060
  486    HE2  MET  46           HE2      MET  46 -12.123  -1.855  -9.846
  487    HE3  MET  46           HE3      MET  46 -12.266  -3.246 -10.921
  488    H    LYS  47           HN       LYS  47 -11.727  -5.608  -6.667
  489    HA   LYS  47           HA       LYS  47 -10.984  -6.664  -4.276
  490    HB2  LYS  47           HB2      LYS  47 -13.345  -7.626  -5.898
  491    HB3  LYS  47           HB1      LYS  47 -13.181  -7.692  -4.151
  492    HG2  LYS  47           HG2      LYS  47 -13.269  -5.300  -3.991
  493    HG3  LYS  47           HG1      LYS  47 -13.241  -5.144  -5.748
  494    HD2  LYS  47           HD2      LYS  47 -15.392  -6.318  -5.875
  495    HD3  LYS  47           HD1      LYS  47 -15.422  -6.440  -4.115
  496    HE2  LYS  47           HE2      LYS  47 -15.445  -4.010  -3.935
  497    HE3  LYS  47           HE1      LYS  47 -15.367  -3.867  -5.690
  498    HZ1  LYS  47           HZ1      LYS  47 -17.573  -5.157  -4.181
  499    HZ2  LYS  47           HZ2      LYS  47 -17.507  -4.934  -5.857
  500    HZ3  LYS  47           HZ3      LYS  47 -17.622  -3.597  -4.830
  501    H    LYS  48           HN       LYS  48 -11.790  -8.633  -7.137
  502    HA   LYS  48           HA       LYS  48  -9.775 -10.567  -6.243
  503    HB2  LYS  48           HB2      LYS  48 -11.942 -11.539  -5.700
  504    HB3  LYS  48           HB1      LYS  48 -12.518 -11.234  -7.331
  505    HG2  LYS  48           HG2      LYS  48 -11.960 -13.574  -7.030
  506    HG3  LYS  48           HG1      LYS  48 -10.889 -12.822  -8.212
  507    HD2  LYS  48           HD2      LYS  48  -9.162 -12.594  -6.474
  508    HD3  LYS  48           HD1      LYS  48 -10.235 -13.389  -5.320
  509    HE2  LYS  48           HE2      LYS  48  -8.632 -14.979  -6.204
  510    HE3  LYS  48           HE1      LYS  48 -10.258 -15.391  -6.744
  511    HZ1  LYS  48           HZ1      LYS  48  -8.186 -13.991  -8.348
  512    HZ2  LYS  48           HZ2      LYS  48  -9.757 -14.319  -8.873
  513    HZ3  LYS  48           HZ3      LYS  48  -8.693 -15.590  -8.551
  514    H    GLU  49           HN       GLU  49  -8.382  -9.520  -7.695
  515    HA   GLU  49           HA       GLU  49  -9.071  -9.666 -10.527
  516    HB2  GLU  49           HB2      GLU  49  -8.001  -7.605  -9.500
  517    HB3  GLU  49           HB1      GLU  49  -6.538  -8.561  -9.307
  518    HG2  GLU  49           HG2      GLU  49  -6.389  -7.214 -11.298
  519    HG3  GLU  49           HG1      GLU  49  -6.465  -8.921 -11.730
  Start of MODEL   15
    1    H1   MET -18           HT1      MET -18  20.474 -10.269 -19.756
    2    H2   MET -18           HT2      MET -18  19.837 -11.709 -19.143
    3    H3   MET -18           HT3      MET -18  19.722 -10.282 -18.242
    4    HA   MET -18           HA       MET -18  18.399 -10.816 -20.833
    5    HB2  MET -18           HB2      MET -18  17.382 -12.030 -18.944
    6    HB3  MET -18           HB1      MET -18  17.244 -10.524 -18.051
    7    HG2  MET -18           HG2      MET -18  15.721  -9.658 -19.761
    8    HG3  MET -18           HG1      MET -18  15.848 -11.182 -20.634
    9    HE1  MET -18           HE1      MET -18  15.622 -10.592 -16.719
   10    HE2  MET -18           HE2      MET -18  13.878 -10.696 -16.485
   11    HE3  MET -18           HE3      MET -18  14.562  -9.370 -17.423
   12    H    ALA -17           HN       ALA -17  18.568  -8.618 -18.041
   13    HA   ALA -17           HA       ALA -17  18.302  -6.359 -19.887
   14    HB1  ALA -17           HB1      ALA -17  16.684  -6.785 -17.381
   15    HB2  ALA -17           HB2      ALA -17  16.083  -6.661 -19.034
   16    HB3  ALA -17           HB3      ALA -17  16.786  -5.251 -18.242
   17    H    HIS -16           HN       HIS -16  20.153  -5.304 -19.665
   18    HA   HIS -16           HA       HIS -16  21.862  -5.582 -17.421
   19    HB2  HIS -16           HB2      HIS -16  21.940  -3.633 -19.729
   20    HB3  HIS -16           HB1      HIS -16  23.220  -3.795 -18.530
   21    HD1  HIS -16           HD1      HIS -16  21.944  -5.249 -21.654
   22    HD2  HIS -16           HD2      HIS -16  24.571  -6.339 -18.620
   23    HE1  HIS -16           HE1      HIS -16  23.266  -7.182 -22.564
   24    HE2  HIS -16           HE2      HIS -16  24.799  -7.870 -20.689
   25    H    HIS -15           HN       HIS -15  19.372  -3.342 -18.232
   26    HA   HIS -15           HA       HIS -15  19.928  -1.873 -15.745
   27    HB2  HIS -15           HB2      HIS -15  20.391  -0.517 -17.805
   28    HB3  HIS -15           HB1      HIS -15  18.702  -0.703 -18.256
   29    HD1  HIS -15           HD1      HIS -15  17.222   1.133 -17.516
   30    HD2  HIS -15           HD2      HIS -15  20.632   0.848 -15.158
   31    HE1  HIS -15           HE1      HIS -15  17.110   3.080 -15.931
   32    HE2  HIS -15           HE2      HIS -15  19.095   2.789 -14.408
   33    H    HIS -14           HN       HIS -14  18.536  -3.832 -15.146
   34    HA   HIS -14           HA       HIS -14  15.723  -3.542 -15.803
   35    HB2  HIS -14           HB2      HIS -14  15.404  -5.594 -14.460
   36    HB3  HIS -14           HB1      HIS -14  16.588  -5.801 -15.738
   37    HD1  HIS -14           HD1      HIS -14  18.932  -6.481 -15.067
   38    HD2  HIS -14           HD2      HIS -14  16.504  -5.553 -11.816
   39    HE1  HIS -14           HE1      HIS -14  20.190  -7.262 -13.031
   40    HE2  HIS -14           HE2      HIS -14  18.733  -6.634 -11.074
   41    H    HIS -13           HN       HIS -13  14.121  -2.952 -14.433
   42    HA   HIS -13           HA       HIS -13  14.351  -2.499 -11.671
   43    HB2  HIS -13           HB2      HIS -13  15.923  -0.700 -12.570
   44    HB3  HIS -13           HB1      HIS -13  14.506   0.059 -13.277
   45    HD1  HIS -13           HD1      HIS -13  16.193  -0.575  -9.998
   46    HD2  HIS -13           HD2      HIS -13  12.855   1.422 -11.468
   47    HE1  HIS -13           HE1      HIS -13  15.419   0.916  -8.130
   48    HE2  HIS -13           HE2      HIS -13  13.384   2.096  -9.028
   49    H    HIS -12           HN       HIS -12  12.978  -1.488 -14.721
   50    HA   HIS -12           HA       HIS -12  10.873  -1.367 -15.519
   51    HB2  HIS -12           HB2      HIS -12  10.582  -3.542 -14.293
   52    HB3  HIS -12           HB1      HIS -12   9.936  -2.626 -12.939
   53    HD1  HIS -12           HD1      HIS -12   7.469  -2.778 -12.908
   54    HD2  HIS -12           HD2      HIS -12   8.959  -2.686 -16.788
   55    HE1  HIS -12           HE1      HIS -12   5.457  -2.885 -14.411
   56    HE2  HIS -12           HE2      HIS -12   6.387  -2.951 -16.749
   57    H    HIS -11           HN       HIS -11  10.114  -0.933 -12.069
   58    HA   HIS -11           HA       HIS -11   9.712   1.912 -12.481
   59    HB2  HIS -11           HB2      HIS -11   7.557   0.769 -13.159
   60    HB3  HIS -11           HB1      HIS -11   7.412   0.208 -11.499
   61    HD1  HIS -11           HD1      HIS -11   6.938   3.185 -13.653
   62    HD2  HIS -11           HD2      HIS -11   6.839   2.254  -9.605
   63    HE1  HIS -11           HE1      HIS -11   5.818   5.140 -12.541
   64    HE2  HIS -11           HE2      HIS -11   5.905   4.618 -10.078
   65    H    SER -10           HN       SER -10   8.813  -0.661 -10.198
   66    HA   SER -10           HA       SER -10   9.355  -1.089  -8.052
   67    HB2  SER -10           HB2      SER -10  11.662   0.807  -8.518
   68    HB3  SER -10           HB1      SER -10  11.519  -0.354  -7.197
   69    HG   SER -10           HG       SER -10  11.134  -1.721  -9.399
   70    H    SER  -9           HN       SER  -9   7.634  -0.276  -7.011
   71    HA   SER  -9           HA       SER  -9   8.147   2.113  -5.441
   72    HB2  SER  -9           HB2      SER  -9   5.621   1.751  -7.076
   73    HB3  SER  -9           HB1      SER  -9   5.857   2.996  -5.850
   74    HG   SER  -9           HG       SER  -9   7.934   3.128  -7.459
   75    H    GLY  -8           HN       GLY  -8   8.500   0.449  -3.871
   76    HA2  GLY  -8           HA2      GLY  -8   6.186  -1.169  -3.119
   77    HA3  GLY  -8           HA1      GLY  -8   7.821  -1.343  -2.499
   78    H    LEU  -7           HN       LEU  -7   7.874  -0.947  -0.407
   79    HA   LEU  -7           HA       LEU  -7   5.885   0.788   0.771
   80    HB2  LEU  -7           HB2      LEU  -7   7.160   0.028   2.944
   81    HB3  LEU  -7           HB1      LEU  -7   5.979  -0.990   2.157
   82    HG   LEU  -7           HG       LEU  -7   8.072  -2.121   3.012
   83   HD11  LEU  -7          HD11      LEU  -7   7.378  -2.443   0.103
   84   HD12  LEU  -7          HD12      LEU  -7   6.603  -3.237   1.471
   85   HD13  LEU  -7          HD13      LEU  -7   8.280  -3.605   1.073
   86   HD21  LEU  -7          HD21      LEU  -7   9.727  -0.492   2.313
   87   HD22  LEU  -7          HD22      LEU  -7   9.330  -0.790   0.623
   88   HD23  LEU  -7          HD23      LEU  -7  10.057  -2.067   1.597
   89    H    GLU  -6           HN       GLU  -6   6.757   2.679  -0.278
   90    HA   GLU  -6           HA       GLU  -6   9.252   3.698   0.893
   91    HB2  GLU  -6           HB2      GLU  -6   7.726   4.704  -1.511
   92    HB3  GLU  -6           HB1      GLU  -6   9.316   5.240  -0.987
   93    HG2  GLU  -6           HG2      GLU  -6  10.254   3.072  -1.479
   94    HG3  GLU  -6           HG1      GLU  -6   8.658   2.444  -1.886
   95    H    VAL  -5           HN       VAL  -5   6.667   3.747   2.308
   96    HA   VAL  -5           HA       VAL  -5   6.493   6.658   2.693
   97    HB   VAL  -5           HB       VAL  -5   4.432   6.041   1.576
   98   HG11  VAL  -5          HG11      VAL  -5   2.991   4.314   2.243
   99   HG12  VAL  -5          HG12      VAL  -5   3.871   4.059   3.751
  100   HG13  VAL  -5          HG13      VAL  -5   4.612   3.615   2.217
  101   HG21  VAL  -5          HG21      VAL  -5   2.773   6.677   3.251
  102   HG22  VAL  -5          HG22      VAL  -5   4.220   7.680   3.357
  103   HG23  VAL  -5          HG23      VAL  -5   3.953   6.390   4.531
  104    H    LEU  -4           HN       LEU  -4   6.857   7.299   4.742
  105    HA   LEU  -4           HA       LEU  -4   6.928   5.186   6.791
  106    HB2  LEU  -4           HB2      LEU  -4   8.672   6.666   7.901
  107    HB3  LEU  -4           HB1      LEU  -4   9.149   5.796   6.460
  108    HG   LEU  -4           HG       LEU  -4   8.757   7.934   5.165
  109   HD11  LEU  -4          HD11      LEU  -4   8.785  10.031   6.406
  110   HD12  LEU  -4          HD12      LEU  -4   8.688   9.140   7.926
  111   HD13  LEU  -4          HD13      LEU  -4   7.344   9.088   6.785
  112   HD21  LEU  -4          HD21      LEU  -4  10.983   7.142   5.763
  113   HD22  LEU  -4          HD22      LEU  -4  10.864   7.964   7.319
  114   HD23  LEU  -4          HD23      LEU  -4  10.895   8.903   5.827
  115    H    PHE  -3           HN       PHE  -3   4.750   7.202   6.054
  116    HA   PHE  -3           HA       PHE  -3   4.330   8.066   8.817
  117    HB2  PHE  -3           HB2      PHE  -3   3.365  10.219   8.011
  118    HB3  PHE  -3           HB1      PHE  -3   5.090  10.059   7.729
  119    HD1  PHE  -3           HD1      PHE  -3   5.844   9.381   5.382
  120    HD2  PHE  -3           HD2      PHE  -3   1.916  10.760   6.263
  121    HE1  PHE  -3           HE1      PHE  -3   5.503   9.922   3.008
  122    HE2  PHE  -3           HE2      PHE  -3   1.574  11.307   3.891
  123    HZ   PHE  -3           HZ       PHE  -3   3.369  10.937   2.272
  124    H    GLN  -2           HN       GLN  -2   2.780   6.760   9.418
  125    HA   GLN  -2           HA       GLN  -2   0.206   7.397   9.298
  126    HB2  GLN  -2           HB2      GLN  -2   0.023   7.009   6.901
  127    HB3  GLN  -2           HB1      GLN  -2   0.642   5.371   7.093
  128    HG2  GLN  -2           HG2      GLN  -2  -1.793   5.441   6.777
  129    HG3  GLN  -2           HG1      GLN  -2  -1.323   4.709   8.308
  130   HE21  GLN  -2          HE21      GLN  -2  -1.274   8.165   7.773
  131   HE22  GLN  -2          HE22      GLN  -2  -2.606   8.536   8.810
  132    H    GLY  -1           HN       GLY  -1   1.475   4.123   8.560
  133    HA2  GLY  -1           HA2      GLY  -1   0.726   3.346  11.291
  134    HA3  GLY  -1           HA1      GLY  -1   0.040   2.466   9.933
  135    HA   PRO   0           HA       PRO   0   4.347   0.882  11.083
  136    HB2  PRO   0           HB2      PRO   0   3.492  -1.018  13.015
  137    HB3  PRO   0           HB1      PRO   0   4.404   0.465  13.294
  138    HG2  PRO   0           HG2      PRO   0   1.800  -0.014  14.155
  139    HG3  PRO   0           HG1      PRO   0   2.566   1.576  14.027
  140    HD2  PRO   0           HD2      PRO   0   0.674   0.223  12.155
  141    HD3  PRO   0           HD1      PRO   0   0.807   1.942  12.586
  142    H    ARG   1           HN       ARG   1   1.832  -1.585  11.723
  143    HA   ARG   1           HA       ARG   1   2.063  -2.887   9.232
  144    HB2  ARG   1           HB2      ARG   1   3.176  -4.961  10.151
  145    HB3  ARG   1           HB1      ARG   1   4.233  -3.593   9.865
  146    HG2  ARG   1           HG2      ARG   1   4.156  -3.074  12.268
  147    HG3  ARG   1           HG1      ARG   1   3.143  -4.498  12.522
  148    HD2  ARG   1           HD2      ARG   1   5.534  -4.907  13.018
  149    HD3  ARG   1           HD1      ARG   1   4.901  -5.948  11.743
  150    HE   ARG   1           HE       ARG   1   6.137  -3.555  10.747
  151   HH11  ARG   1          HH11      ARG   1   6.759  -6.816  11.857
  152   HH12  ARG   1          HH12      ARG   1   8.205  -6.995  10.915
  153   HH21  ARG   1          HH21      ARG   1   8.033  -3.783   9.513
  154   HH22  ARG   1          HH22      ARG   1   8.932  -5.263   9.581
  155    H    ARG   2           HN       ARG   2   1.280  -5.364   9.642
  156    HA   ARG   2           HA       ARG   2  -0.513  -5.668  11.848
  157    HB2  ARG   2           HB2      ARG   2  -1.724  -4.080  10.195
  158    HB3  ARG   2           HB1      ARG   2  -1.919  -5.496   9.188
  159    HG2  ARG   2           HG2      ARG   2  -3.891  -5.130  10.485
  160    HG3  ARG   2           HG1      ARG   2  -3.070  -6.578  11.035
  161    HD2  ARG   2           HD2      ARG   2  -2.051  -5.276  12.867
  162    HD3  ARG   2           HD1      ARG   2  -2.992  -3.881  12.349
  163    HE   ARG   2           HE       ARG   2  -4.614  -6.179  12.870
  164   HH11  ARG   2          HH11      ARG   2  -2.990  -3.459  14.353
  165   HH12  ARG   2          HH12      ARG   2  -4.017  -3.439  15.750
  166   HH21  ARG   2          HH21      ARG   2  -5.976  -6.159  14.704
  167   HH22  ARG   2          HH22      ARG   2  -5.732  -4.965  15.940
  168    H    ALA   3           HN       ALA   3   1.088  -6.793   9.081
  169    HA   ALA   3           HA       ALA   3   1.948  -8.854   8.659
  170    HB1  ALA   3           HB1      ALA   3   0.313  -9.874  10.971
  171    HB2  ALA   3           HB2      ALA   3   1.949  -9.224  11.083
  172    HB3  ALA   3           HB3      ALA   3   1.648 -10.703  10.168
  173    H    GLY   4           HN       GLY   4  -0.903 -10.497   9.802
  174    HA2  GLY   4           HA2      GLY   4  -1.259 -11.494   7.069
  175    HA3  GLY   4           HA1      GLY   4  -1.860 -12.234   8.539
  176    H    THR   5           HN       THR   5  -2.299  -9.064   6.919
  177    HA   THR   5           HA       THR   5  -5.171  -9.326   7.521
  178    HB   THR   5           HB       THR   5  -3.863  -6.688   6.926
  179    HG1  THR   5           HG1      THR   5  -3.251  -8.386   9.015
  180   HG21  THR   5          HG21      THR   5  -6.303  -6.742   7.336
  181   HG22  THR   5          HG22      THR   5  -5.478  -5.905   8.651
  182   HG23  THR   5          HG23      THR   5  -6.035  -7.555   8.880
  183    H    CYS   6           HN       CYS   6  -6.371  -7.620   5.938
  184    HA   CYS   6           HA       CYS   6  -5.417  -8.146   3.211
  185    HB2  CYS   6           HB2      CYS   6  -8.097  -7.939   2.857
  186    HB3  CYS   6           HB1      CYS   6  -7.255  -9.451   3.115
  187    HG   CYS   6           HG       CYS   6  -9.200  -7.708   5.278
  188    H    CYS   7           HN       CYS   7  -5.992  -6.611   1.601
  189    HA   CYS   7           HA       CYS   7  -5.770  -3.969   2.722
  190    HB2  CYS   7           HB2      CYS   7  -4.337  -4.714   0.840
  191    HB3  CYS   7           HB1      CYS   7  -5.738  -4.744  -0.176
  192    H    ALA   8           HN       ALA   8  -7.392  -2.644   3.112
  193    HA   ALA   8           HA       ALA   8 -10.082  -3.059   2.545
  194    HB1  ALA   8           HB1      ALA   8  -9.229  -1.640   4.372
  195    HB2  ALA   8           HB2      ALA   8 -10.443  -0.827   3.386
  196    HB3  ALA   8           HB3      ALA   8  -8.734  -0.441   3.168
  197    H    ASN   9           HN       ASN   9  -8.444  -3.009   0.077
  198    HA   ASN   9           HA       ASN   9 -10.042  -1.205  -1.473
  199    HB2  ASN   9           HB2      ASN   9  -8.344   0.346  -0.584
  200    HB3  ASN   9           HB1      ASN   9  -7.066  -0.693  -1.298
  201   HD21  ASN   9          HD21      ASN   9  -6.630  -0.531  -3.448
  202   HD22  ASN   9          HD22      ASN   9  -7.389   0.594  -4.505
  203    H    CYS  10           HN       CYS  10  -7.126  -3.303  -1.461
  204    HA   CYS  10           HA       CYS  10  -8.026  -4.163  -4.130
  205    HB2  CYS  10           HB2      CYS  10  -5.850  -4.009  -5.030
  206    HB3  CYS  10           HB1      CYS  10  -6.053  -2.542  -4.053
  207    H    GLN  11           HN       GLN  11  -7.970  -5.188  -1.212
  208    HA   GLN  11           HA       GLN  11  -7.654  -7.066   0.012
  209    HB2  GLN  11           HB2      GLN  11  -8.986  -7.837  -2.539
  210    HB3  GLN  11           HB1      GLN  11  -8.720  -9.036  -1.282
  211    HG2  GLN  11           HG2      GLN  11 -10.008  -7.729   0.282
  212    HG3  GLN  11           HG1      GLN  11 -10.188  -6.437  -0.905
  213   HE21  GLN  11          HE21      GLN  11 -11.179  -9.627   0.037
  214   HE22  GLN  11          HE22      GLN  11 -12.524  -9.748  -1.046
  215    H    THR  12           HN       THR  12  -5.183  -6.647  -1.898
  216    HA   THR  12           HA       THR  12  -4.061  -9.214  -1.951
  217    HB   THR  12           HB       THR  12  -3.018  -7.122  -2.995
  218    HG1  THR  12           HG1      THR  12  -1.704  -8.855  -3.037
  219   HG21  THR  12          HG21      THR  12  -2.003  -6.742  -0.160
  220   HG22  THR  12          HG22      THR  12  -3.149  -5.677  -0.982
  221   HG23  THR  12          HG23      THR  12  -1.489  -5.823  -1.576
  222    H    THR  13           HN       THR  13  -2.679 -10.166  -0.448
  223    HA   THR  13           HA       THR  13  -2.889  -9.178   2.303
  224    HB   THR  13           HB       THR  13  -2.907 -11.616   3.015
  225    HG1  THR  13           HG1      THR  13  -3.874 -12.986   1.295
  226   HG21  THR  13          HG21      THR  13  -5.306 -11.805   2.770
  227   HG22  THR  13          HG22      THR  13  -5.290 -10.656   1.432
  228   HG23  THR  13          HG23      THR  13  -4.877 -10.116   3.061
  229    H    THR  14           HN       THR  14  -0.898  -9.546  -0.118
  230    HA   THR  14           HA       THR  14   1.319 -10.553   1.513
  231    HB   THR  14           HB       THR  14   1.076 -11.702  -0.668
  232    HG1  THR  14           HG1      THR  14   3.480 -10.225  -0.777
  233   HG21  THR  14          HG21      THR  14   1.467  -8.949  -1.782
  234   HG22  THR  14          HG22      THR  14   0.359 -10.224  -2.311
  235   HG23  THR  14          HG23      THR  14   2.079 -10.349  -2.658
  236    H    THR  15           HN       THR  15   1.272  -8.629   2.723
  237    HA   THR  15           HA       THR  15   2.807  -6.480   1.511
  238    HB   THR  15           HB       THR  15   0.167  -5.769   2.844
  239    HG1  THR  15           HG1      THR  15   0.788  -6.484   0.276
  240   HG21  THR  15          HG21      THR  15   0.738  -3.542   1.864
  241   HG22  THR  15          HG22      THR  15   2.332  -4.180   1.479
  242   HG23  THR  15          HG23      THR  15   1.808  -4.066   3.158
  243    H    THR  16           HN       THR  16   4.179  -5.534   2.946
  244    HA   THR  16           HA       THR  16   4.197  -6.671   5.641
  245    HB   THR  16           HB       THR  16   6.383  -5.028   4.356
  246    HG1  THR  16           HG1      THR  16   5.545  -7.636   3.860
  247   HG21  THR  16          HG21      THR  16   6.561  -5.415   6.783
  248   HG22  THR  16          HG22      THR  16   7.830  -6.258   5.895
  249   HG23  THR  16          HG23      THR  16   6.440  -7.153   6.508
  250    H    LEU  17           HN       LEU  17   3.150  -3.868   4.153
  251    HA   LEU  17           HA       LEU  17   3.641  -2.267   6.629
  252    HB2  LEU  17           HB2      LEU  17   5.296  -1.641   4.849
  253    HB3  LEU  17           HB1      LEU  17   3.974  -1.119   3.841
  254    HG   LEU  17           HG       LEU  17   3.432   0.688   5.265
  255   HD11  LEU  17          HD11      LEU  17   5.459  -0.460   7.186
  256   HD12  LEU  17          HD12      LEU  17   3.711  -0.400   7.416
  257   HD13  LEU  17          HD13      LEU  17   4.647   1.093   7.367
  258   HD21  LEU  17          HD21      LEU  17   5.555   1.938   5.299
  259   HD22  LEU  17          HD22      LEU  17   5.304   1.083   3.770
  260   HD23  LEU  17          HD23      LEU  17   6.428   0.439   4.975
  261    H    TRP  18           HN       TRP  18   1.491  -2.947   7.060
  262    HA   TRP  18           HA       TRP  18  -0.679  -2.102   5.460
  263    HB2  TRP  18           HB2      TRP  18  -0.653  -3.203   8.265
  264    HB3  TRP  18           HB1      TRP  18  -2.080  -2.934   7.338
  265    HD1  TRP  18           HD1      TRP  18   0.664  -5.440   7.799
  266    HE1  TRP  18           HE1      TRP  18   0.226  -7.451   6.329
  267    HE3  TRP  18           HE3      TRP  18  -3.155  -3.618   4.927
  268    HZ2  TRP  18           HZ2      TRP  18  -1.454  -8.242   4.265
  269    HZ3  TRP  18           HZ3      TRP  18  -4.186  -5.101   3.239
  270    HH2  TRP  18           HH2      TRP  18  -3.352  -7.342   2.888
  271    H    ARG  19           HN       ARG  19  -0.658   0.089   5.216
  272    HA   ARG  19           HA       ARG  19  -0.767   1.887   7.545
  273    HB2  ARG  19           HB2      ARG  19  -1.693   3.044   5.005
  274    HB3  ARG  19           HB1      ARG  19  -0.375   3.531   6.046
  275    HG2  ARG  19           HG2      ARG  19   0.970   1.628   5.039
  276    HG3  ARG  19           HG1      ARG  19  -0.313   1.515   3.831
  277    HD2  ARG  19           HD2      ARG  19   1.595   2.893   3.118
  278    HD3  ARG  19           HD1      ARG  19   0.080   3.780   3.151
  279    HE   ARG  19           HE       ARG  19   1.030   5.210   4.625
  280   HH11  ARG  19          HH11      ARG  19   2.669   2.139   4.970
  281   HH12  ARG  19          HH12      ARG  19   3.746   2.710   6.205
  282   HH21  ARG  19          HH21      ARG  19   2.457   5.953   6.251
  283   HH22  ARG  19          HH22      ARG  19   3.625   4.856   6.929
  284    H    ARG  20           HN       ARG  20  -2.664   3.529   7.567
  285    HA   ARG  20           HA       ARG  20  -5.190   2.074   7.339
  286    HB2  ARG  20           HB2      ARG  20  -4.439   4.586   8.829
  287    HB3  ARG  20           HB1      ARG  20  -6.081   4.016   8.692
  288    HG2  ARG  20           HG2      ARG  20  -3.890   3.080  10.381
  289    HG3  ARG  20           HG1      ARG  20  -5.628   3.136  10.653
  290    HD2  ARG  20           HD2      ARG  20  -5.949   1.136   9.355
  291    HD3  ARG  20           HD1      ARG  20  -4.234   1.095   8.936
  292    HE   ARG  20           HE       ARG  20  -4.087   1.038  11.581
  293   HH11  ARG  20          HH11      ARG  20  -6.189  -0.755   9.445
  294   HH12  ARG  20          HH12      ARG  20  -6.323  -2.116  10.514
  295   HH21  ARG  20          HH21      ARG  20  -4.259  -0.751  12.989
  296   HH22  ARG  20          HH22      ARG  20  -5.237  -2.109  12.526
  297    H    ASN  21           HN       ASN  21  -6.927   2.924   6.239
  298    HA   ASN  21           HA       ASN  21  -6.371   5.185   4.461
  299    HB2  ASN  21           HB2      ASN  21  -8.376   4.620   3.228
  300    HB3  ASN  21           HB1      ASN  21  -7.454   3.114   3.499
  301   HD21  ASN  21          HD21      ASN  21  -9.735   2.404   2.867
  302   HD22  ASN  21          HD22      ASN  21 -10.848   2.138   4.141
  303    H    ALA  22           HN       ALA  22  -9.037   6.293   4.215
  304    HA   ALA  22           HA       ALA  22  -8.942   8.205   6.238
  305    HB1  ALA  22           HB1      ALA  22 -10.057   8.496   4.063
  306    HB2  ALA  22           HB2      ALA  22 -11.073   8.978   5.419
  307    HB3  ALA  22           HB3      ALA  22 -11.353   7.436   4.609
  308    H    ASN  23           HN       ASN  23 -10.335   5.060   6.389
  309    HA   ASN  23           HA       ASN  23 -12.266   5.799   8.443
  310    HB2  ASN  23           HB2      ASN  23 -12.964   4.329   6.558
  311    HB3  ASN  23           HB1      ASN  23 -11.765   3.160   7.070
  312   HD21  ASN  23          HD21      ASN  23 -13.108   1.500   7.590
  313   HD22  ASN  23          HD22      ASN  23 -14.284   1.595   8.846
  314    H    GLY  24           HN       GLY  24  -9.117   4.979   8.119
  315    HA2  GLY  24           HA2      GLY  24  -7.564   4.245   9.685
  316    HA3  GLY  24           HA1      GLY  24  -8.897   3.882  10.765
  317    H    ASP  25           HN       ASP  25  -8.977   2.814   7.503
  318    HA   ASP  25           HA       ASP  25  -9.109   0.071   8.513
  319    HB2  ASP  25           HB2      ASP  25 -10.678   1.371   6.641
  320    HB3  ASP  25           HB1      ASP  25  -9.588   0.387   5.648
  321    HA   PRO  26           HA       PRO  26  -5.109  -0.973   7.226
  322    HB2  PRO  26           HB2      PRO  26  -5.588  -3.631   6.538
  323    HB3  PRO  26           HB1      PRO  26  -5.326  -3.025   8.205
  324    HG2  PRO  26           HG2      PRO  26  -7.867  -3.695   6.778
  325    HG3  PRO  26           HG1      PRO  26  -7.437  -3.914   8.498
  326    HD2  PRO  26           HD2      PRO  26  -9.054  -1.869   7.639
  327    HD3  PRO  26           HD1      PRO  26  -7.977  -1.716   9.035
  328    H    VAL  27           HN       VAL  27  -3.971  -0.697   5.421
  329    HA   VAL  27           HA       VAL  27  -5.058  -1.710   2.873
  330    HB   VAL  27           HB       VAL  27  -4.036   0.417   1.744
  331   HG11  VAL  27          HG11      VAL  27  -6.351  -0.291   1.480
  332   HG12  VAL  27          HG12      VAL  27  -6.211   1.466   1.614
  333   HG13  VAL  27          HG13      VAL  27  -6.765   0.518   2.995
  334   HG21  VAL  27          HG21      VAL  27  -4.928   1.576   4.374
  335   HG22  VAL  27          HG22      VAL  27  -4.543   2.495   2.920
  336   HG23  VAL  27          HG23      VAL  27  -3.291   1.572   3.730
  337    H    CYS  28           HN       CYS  28  -3.482  -2.189   1.349
  338    HA   CYS  28           HA       CYS  28  -0.936  -2.880   2.404
  339    HB2  CYS  28           HB2      CYS  28  -0.742  -4.052   0.345
  340    HB3  CYS  28           HB1      CYS  28  -2.468  -3.903   0.520
  341    H    ASN  29           HN       ASN  29   1.114  -2.049   0.862
  342    HA   ASN  29           HA       ASN  29   1.344   0.475   1.963
  343    HB2  ASN  29           HB2      ASN  29   3.260  -1.052   1.540
  344    HB3  ASN  29           HB1      ASN  29   3.233  -0.558  -0.175
  345   HD21  ASN  29          HD21      ASN  29   3.518   1.828  -0.585
  346   HD22  ASN  29          HD22      ASN  29   4.309   2.781   0.574
  347    H    ALA  30           HN       ALA  30   1.116  -0.243  -1.562
  348    HA   ALA  30           HA       ALA  30   1.251   2.364  -2.462
  349    HB1  ALA  30           HB1      ALA  30   0.040   1.701  -4.422
  350    HB2  ALA  30           HB2      ALA  30  -0.452   0.200  -3.631
  351    HB3  ALA  30           HB3      ALA  30   1.252   0.496  -3.985
  352    H    CYS  31           HN       CYS  31  -1.623   0.613  -1.408
  353    HA   CYS  31           HA       CYS  31  -3.448   2.626  -2.136
  354    HB2  CYS  31           HB2      CYS  31  -3.741   0.387  -0.186
  355    HB3  CYS  31           HB1      CYS  31  -5.055   1.365  -0.783
  356    H    GLY  32           HN       GLY  32  -1.703   2.016   0.882
  357    HA2  GLY  32           HA2      GLY  32  -2.967   4.313   2.149
  358    HA3  GLY  32           HA1      GLY  32  -1.600   3.378   2.804
  359    H    LEU  33           HN       LEU  33   0.177   3.665   0.582
  360    HA   LEU  33           HA       LEU  33   1.479   6.054   1.273
  361    HB2  LEU  33           HB2      LEU  33   2.579   4.098   0.135
  362    HB3  LEU  33           HB1      LEU  33   1.810   4.585  -1.345
  363    HG   LEU  33           HG       LEU  33   3.433   6.647  -0.075
  364   HD11  LEU  33          HD11      LEU  33   4.698   4.249  -1.393
  365   HD12  LEU  33          HD12      LEU  33   4.769   4.589   0.333
  366   HD13  LEU  33          HD13      LEU  33   5.530   5.691  -0.814
  367   HD21  LEU  33          HD21      LEU  33   4.068   7.013  -2.378
  368   HD22  LEU  33          HD22      LEU  33   2.315   6.860  -2.256
  369   HD23  LEU  33          HD23      LEU  33   3.281   5.509  -2.846
  370    H    TYR  34           HN       TYR  34  -0.654   5.237  -1.458
  371    HA   TYR  34           HA       TYR  34  -0.095   7.680  -2.721
  372    HB2  TYR  34           HB2      TYR  34  -0.664   5.737  -4.025
  373    HB3  TYR  34           HB1      TYR  34  -2.214   5.602  -3.221
  374    HD1  TYR  34           HD1      TYR  34  -3.994   7.235  -3.694
  375    HD2  TYR  34           HD2      TYR  34  -0.363   7.139  -5.890
  376    HE1  TYR  34           HE1      TYR  34  -5.027   8.623  -5.439
  377    HE2  TYR  34           HE2      TYR  34  -1.375   8.540  -7.620
  378    HH   TYR  34           HH       TYR  34  -4.354  10.139  -7.228
  379    H    TYR  35           HN       TYR  35  -2.853   6.485  -0.835
  380    HA   TYR  35           HA       TYR  35  -4.412   8.817  -1.045
  381    HB2  TYR  35           HB2      TYR  35  -5.223   6.642  -0.105
  382    HB3  TYR  35           HB1      TYR  35  -4.276   6.967   1.333
  383    HD1  TYR  35           HD1      TYR  35  -7.337   7.653  -0.411
  384    HD2  TYR  35           HD2      TYR  35  -4.876   8.862   2.805
  385    HE1  TYR  35           HE1      TYR  35  -9.197   8.895   0.530
  386    HE2  TYR  35           HE2      TYR  35  -6.717  10.107   3.791
  387    HH   TYR  35           HH       TYR  35  -9.948   9.771   2.693
  388    H    LYS  36           HN       LYS  36  -1.539   8.175   0.772
  389    HA   LYS  36           HA       LYS  36  -2.010  10.219   2.708
  390    HB2  LYS  36           HB2      LYS  36   0.268   8.475   1.955
  391    HB3  LYS  36           HB1      LYS  36   0.610   9.925   2.884
  392    HG2  LYS  36           HG2      LYS  36   0.152   7.737   4.144
  393    HG3  LYS  36           HG1      LYS  36  -0.572   9.218   4.722
  394    HD2  LYS  36           HD2      LYS  36  -2.517   8.369   3.078
  395    HD3  LYS  36           HD1      LYS  36  -1.825   6.820   3.557
  396    HE2  LYS  36           HE2      LYS  36  -3.617   7.379   5.052
  397    HE3  LYS  36           HE1      LYS  36  -2.088   7.481   5.922
  398    HZ1  LYS  36           HZ1      LYS  36  -3.543   9.804   4.777
  399    HZ2  LYS  36           HZ2      LYS  36  -2.137   9.867   5.712
  400    HZ3  LYS  36           HZ3      LYS  36  -3.587   9.345   6.402
  401    H    LEU  37           HN       LEU  37  -0.453   9.952  -0.360
  402    HA   LEU  37           HA       LEU  37   0.678  12.580  -0.288
  403    HB2  LEU  37           HB2      LEU  37   0.189  11.058  -2.826
  404    HB3  LEU  37           HB1      LEU  37   1.527  12.126  -2.406
  405    HG   LEU  37           HG       LEU  37   1.115   9.431  -1.145
  406   HD11  LEU  37          HD11      LEU  37   2.698  10.178  -3.589
  407   HD12  LEU  37          HD12      LEU  37   1.380   9.008  -3.474
  408   HD13  LEU  37          HD13      LEU  37   2.922   8.683  -2.688
  409   HD21  LEU  37          HD21      LEU  37   3.536  11.205  -1.371
  410   HD22  LEU  37          HD22      LEU  37   3.468   9.631  -0.579
  411   HD23  LEU  37          HD23      LEU  37   2.554  10.990   0.079
  412    H    HIS  38           HN       HIS  38  -2.229  11.041  -1.536
  413    HA   HIS  38           HA       HIS  38  -2.907  13.531  -2.952
  414    HB2  HIS  38           HB2      HIS  38  -3.205  10.673  -3.848
  415    HB3  HIS  38           HB1      HIS  38  -3.935  12.027  -4.693
  416    HD1  HIS  38           HD1      HIS  38  -1.827  10.277  -6.105
  417    HD2  HIS  38           HD2      HIS  38  -0.915  13.746  -4.015
  418    HE1  HIS  38           HE1      HIS  38   0.421  11.015  -6.958
  419    HE2  HIS  38           HE2      HIS  38   0.959  13.105  -5.673
  420    H    ASN  39           HN       ASN  39  -3.918  11.710  -0.445
  421    HA   ASN  39           HA       ASN  39  -5.888  11.349   0.670
  422    HB2  ASN  39           HB2      ASN  39  -5.866  13.986  -0.382
  423    HB3  ASN  39           HB1      ASN  39  -7.526  13.423  -0.225
  424   HD21  ASN  39          HD21      ASN  39  -6.861  15.502   1.475
  425   HD22  ASN  39          HD22      ASN  39  -6.585  14.899   3.063
  426    H    VAL  40           HN       VAL  40  -5.734   9.952  -1.809
  427    HA   VAL  40           HA       VAL  40  -8.542   9.312  -2.020
  428    HB   VAL  40           HB       VAL  40  -8.217   9.078  -4.616
  429   HG11  VAL  40          HG11      VAL  40  -9.978  10.344  -3.555
  430   HG12  VAL  40          HG12      VAL  40  -9.319  11.232  -4.930
  431   HG13  VAL  40          HG13      VAL  40  -8.873  11.691  -3.287
  432   HG21  VAL  40          HG21      VAL  40  -5.867  10.023  -4.482
  433   HG22  VAL  40          HG22      VAL  40  -6.619  11.586  -4.172
  434   HG23  VAL  40          HG23      VAL  40  -6.933  10.730  -5.688
  435    H    ASN  41           HN       ASN  41  -8.875   7.321  -3.286
  436    HA   ASN  41           HA       ASN  41  -7.097   5.365  -2.298
  437    HB2  ASN  41           HB2      ASN  41  -8.538   3.886  -3.900
  438    HB3  ASN  41           HB1      ASN  41  -9.252   4.562  -2.441
  439   HD21  ASN  41          HD21      ASN  41 -10.833   5.995  -2.583
  440   HD22  ASN  41          HD22      ASN  41 -11.575   6.499  -4.064
  441    H    ARG  42           HN       ARG  42  -6.178   3.665  -3.767
  442    HA   ARG  42           HA       ARG  42  -4.454   5.178  -5.568
  443    HB2  ARG  42           HB2      ARG  42  -3.706   3.744  -3.542
  444    HB3  ARG  42           HB1      ARG  42  -3.944   2.384  -4.605
  445    HG2  ARG  42           HG2      ARG  42  -2.097   4.690  -5.144
  446    HG3  ARG  42           HG1      ARG  42  -1.607   3.143  -4.470
  447    HD2  ARG  42           HD2      ARG  42  -2.518   2.094  -6.588
  448    HD3  ARG  42           HD1      ARG  42  -2.633   3.734  -7.233
  449    HE   ARG  42           HE       ARG  42  -0.066   3.460  -6.236
  450   HH11  ARG  42          HH11      ARG  42  -1.992   2.097  -8.834
  451   HH12  ARG  42          HH12      ARG  42  -0.606   1.604  -9.755
  452   HH21  ARG  42          HH21      ARG  42   1.738   2.804  -7.445
  453   HH22  ARG  42          HH22      ARG  42   1.514   1.997  -8.964
  454    HA   PRO  43           HA       PRO  43  -6.751   3.107  -8.937
  455    HB2  PRO  43           HB2      PRO  43  -4.617   4.629 -10.372
  456    HB3  PRO  43           HB1      PRO  43  -6.339   4.481 -10.750
  457    HG2  PRO  43           HG2      PRO  43  -5.457   6.711  -9.653
  458    HG3  PRO  43           HG1      PRO  43  -6.964   5.978  -9.066
  459    HD2  PRO  43           HD2      PRO  43  -4.222   5.903  -7.850
  460    HD3  PRO  43           HD1      PRO  43  -5.830   6.152  -7.060
  461    H    LEU  44           HN       LEU  44  -6.254   1.080  -9.377
  462    HA   LEU  44           HA       LEU  44  -3.445   0.296  -9.512
  463    HB2  LEU  44           HB2      LEU  44  -5.674  -1.258  -8.190
  464    HB3  LEU  44           HB1      LEU  44  -3.998  -1.753  -8.294
  465    HG   LEU  44           HG       LEU  44  -4.644   0.807  -6.904
  466   HD11  LEU  44          HD11      LEU  44  -4.881  -1.938  -5.686
  467   HD12  LEU  44          HD12      LEU  44  -6.219  -0.831  -5.988
  468   HD13  LEU  44          HD13      LEU  44  -4.968  -0.403  -4.822
  469   HD21  LEU  44          HD21      LEU  44  -2.694   0.237  -5.612
  470   HD22  LEU  44          HD22      LEU  44  -2.303   0.097  -7.330
  471   HD23  LEU  44          HD23      LEU  44  -2.612  -1.354  -6.370
  472    H    THR  45           HN       THR  45  -4.427  -2.496  -9.785
  473    HA   THR  45           HA       THR  45  -5.655  -2.423 -12.430
  474    HB   THR  45           HB       THR  45  -4.044  -4.331 -13.049
  475    HG1  THR  45           HG1      THR  45  -2.915  -4.851 -11.283
  476   HG21  THR  45          HG21      THR  45  -3.903  -2.115 -14.071
  477   HG22  THR  45          HG22      THR  45  -2.298  -2.800 -13.817
  478   HG23  THR  45          HG23      THR  45  -2.906  -1.554 -12.729
  479    H    MET  46           HN       MET  46  -5.183  -5.417 -12.587
  480    HA   MET  46           HA       MET  46  -7.187  -6.176 -10.572
  481    HB2  MET  46           HB2      MET  46  -6.371  -7.859 -12.948
  482    HB3  MET  46           HB1      MET  46  -7.807  -8.008 -11.952
  483    HG2  MET  46           HG2      MET  46  -7.206  -5.798 -13.899
  484    HG3  MET  46           HG1      MET  46  -8.387  -7.091 -14.096
  485    HE1  MET  46           HE1      MET  46  -9.624  -7.246 -11.142
  486    HE2  MET  46           HE2      MET  46 -10.598  -7.305 -12.610
  487    HE3  MET  46           HE3      MET  46 -11.018  -6.180 -11.320
  488    H    LYS  47           HN       LYS  47  -6.587  -9.011 -10.708
  489    HA   LYS  47           HA       LYS  47  -4.230  -8.987  -9.008
  490    HB2  LYS  47           HB2      LYS  47  -6.284 -11.121  -9.584
  491    HB3  LYS  47           HB1      LYS  47  -4.853 -11.408  -8.601
  492    HG2  LYS  47           HG2      LYS  47  -5.587  -9.560  -7.105
  493    HG3  LYS  47           HG1      LYS  47  -7.078  -9.460  -8.039
  494    HD2  LYS  47           HD2      LYS  47  -6.128 -11.960  -6.648
  495    HD3  LYS  47           HD1      LYS  47  -7.244 -10.801  -5.928
  496    HE2  LYS  47           HE2      LYS  47  -8.792 -11.173  -7.810
  497    HE3  LYS  47           HE1      LYS  47  -7.684 -12.379  -8.460
  498    HZ1  LYS  47           HZ1      LYS  47  -9.526 -13.331  -7.157
  499    HZ2  LYS  47           HZ2      LYS  47  -8.946 -12.541  -5.780
  500    HZ3  LYS  47           HZ3      LYS  47  -8.007 -13.731  -6.530
  501    H    LYS  48           HN       LYS  48  -2.777  -8.507 -10.655
  502    HA   LYS  48           HA       LYS  48  -1.145  -8.924 -12.151
  503    HB2  LYS  48           HB2      LYS  48  -0.575 -10.598 -10.397
  504    HB3  LYS  48           HB1      LYS  48  -1.469 -11.804 -11.314
  505    HG2  LYS  48           HG2      LYS  48   0.048 -11.472 -13.211
  506    HG3  LYS  48           HG1      LYS  48   0.955 -10.294 -12.264
  507    HD2  LYS  48           HD2      LYS  48   1.460 -12.048 -10.612
  508    HD3  LYS  48           HD1      LYS  48   0.596 -13.217 -11.612
  509    HE2  LYS  48           HE2      LYS  48   3.048 -11.651 -12.412
  510    HE3  LYS  48           HE1      LYS  48   3.000 -13.362 -11.986
  511    HZ1  LYS  48           HZ1      LYS  48   1.559 -12.146 -14.278
  512    HZ2  LYS  48           HZ2      LYS  48   1.619 -13.790 -13.894
  513    HZ3  LYS  48           HZ3      LYS  48   3.019 -12.986 -14.393
  514    H    GLU  49           HN       GLU  49  -2.403  -8.347 -13.958
  515    HA   GLU  49           HA       GLU  49  -2.287 -10.314 -15.989
  516    HB2  GLU  49           HB2      GLU  49  -4.725 -10.049 -16.685
  517    HB3  GLU  49           HB1      GLU  49  -4.408 -11.092 -15.309
  518    HG2  GLU  49           HG2      GLU  49  -5.068  -9.296 -13.794
  519    HG3  GLU  49           HG1      GLU  49  -5.387  -8.249 -15.179
  Start of MODEL   16
    1    H1   MET -18           HT1      MET -18  19.057  -9.980  -7.107
    2    H2   MET -18           HT2      MET -18  19.152  -8.298  -7.282
    3    H3   MET -18           HT3      MET -18  19.724  -9.308  -8.506
    4    HA   MET -18           HA       MET -18  17.515 -10.110  -8.952
    5    HB2  MET -18           HB2      MET -18  16.750  -8.141  -6.787
    6    HB3  MET -18           HB1      MET -18  15.604  -8.900  -7.880
    7    HG2  MET -18           HG2      MET -18  16.169 -11.085  -6.987
    8    HG3  MET -18           HG1      MET -18  17.369 -10.353  -5.922
    9    HE1  MET -18           HE1      MET -18  15.084 -12.286  -4.855
   10    HE2  MET -18           HE2      MET -18  14.557 -11.419  -3.413
   11    HE3  MET -18           HE3      MET -18  16.273 -11.519  -3.803
   12    H    ALA -17           HN       ALA -17  15.837  -8.745 -10.124
   13    HA   ALA -17           HA       ALA -17  17.210  -6.414 -11.272
   14    HB1  ALA -17           HB1      ALA -17  15.853  -6.797 -13.271
   15    HB2  ALA -17           HB2      ALA -17  15.068  -8.161 -12.478
   16    HB3  ALA -17           HB3      ALA -17  16.790  -8.230 -12.846
   17    H    HIS -16           HN       HIS -16  16.054  -5.825  -8.956
   18    HA   HIS -16           HA       HIS -16  13.443  -4.648  -9.573
   19    HB2  HIS -16           HB2      HIS -16  14.952  -4.948  -6.970
   20    HB3  HIS -16           HB1      HIS -16  13.468  -4.020  -7.119
   21    HD1  HIS -16           HD1      HIS -16  14.440  -7.093  -5.877
   22    HD2  HIS -16           HD2      HIS -16  11.453  -5.967  -8.537
   23    HE1  HIS -16           HE1      HIS -16  12.747  -8.945  -5.814
   24    HE2  HIS -16           HE2      HIS -16  11.034  -8.321  -7.548
   25    H    HIS -15           HN       HIS -15  16.167  -3.498  -7.622
   26    HA   HIS -15           HA       HIS -15  17.354  -1.574  -7.579
   27    HB2  HIS -15           HB2      HIS -15  16.469  -1.312 -10.459
   28    HB3  HIS -15           HB1      HIS -15  17.713  -0.332  -9.690
   29    HD1  HIS -15           HD1      HIS -15  17.256  -3.376 -11.588
   30    HD2  HIS -15           HD2      HIS -15  19.996  -1.978  -8.796
   31    HE1  HIS -15           HE1      HIS -15  19.263  -4.874 -11.805
   32    HE2  HIS -15           HE2      HIS -15  20.865  -4.080 -10.030
   33    H    HIS -14           HN       HIS -14  17.173   0.852  -7.770
   34    HA   HIS -14           HA       HIS -14  16.104   2.786  -7.257
   35    HB2  HIS -14           HB2      HIS -14  15.127   2.299  -9.552
   36    HB3  HIS -14           HB1      HIS -14  13.715   1.658  -8.723
   37    HD1  HIS -14           HD1      HIS -14  15.525   4.877  -9.408
   38    HD2  HIS -14           HD2      HIS -14  11.958   3.568  -7.726
   39    HE1  HIS -14           HE1      HIS -14  14.119   6.938  -9.122
   40    HE2  HIS -14           HE2      HIS -14  11.898   6.094  -8.287
   41    H    HIS -13           HN       HIS -13  16.222   1.341  -5.162
   42    HA   HIS -13           HA       HIS -13  15.404   1.044  -3.070
   43    HB2  HIS -13           HB2      HIS -13  14.258   3.219  -3.393
   44    HB3  HIS -13           HB1      HIS -13  12.875   2.373  -4.070
   45    HD1  HIS -13           HD1      HIS -13  14.510   3.261  -0.859
   46    HD2  HIS -13           HD2      HIS -13  11.300   0.959  -2.165
   47    HE1  HIS -13           HE1      HIS -13  13.152   2.766   1.194
   48    HE2  HIS -13           HE2      HIS -13  11.234   1.347   0.395
   49    H    HIS -12           HN       HIS -12  12.456   0.640  -5.023
   50    HA   HIS -12           HA       HIS -12  12.535  -2.238  -4.390
   51    HB2  HIS -12           HB2      HIS -12  10.744  -0.975  -3.104
   52    HB3  HIS -12           HB1      HIS -12   9.993  -0.615  -4.653
   53    HD1  HIS -12           HD1      HIS -12  10.107  -3.131  -2.023
   54    HD2  HIS -12           HD2      HIS -12   9.125  -3.049  -6.063
   55    HE1  HIS -12           HE1      HIS -12   8.773  -5.217  -2.438
   56    HE2  HIS -12           HE2      HIS -12   8.371  -5.244  -4.923
   57    H    HIS -11           HN       HIS -11  11.067   0.227  -6.467
   58    HA   HIS -11           HA       HIS -11  12.297  -0.666  -8.812
   59    HB2  HIS -11           HB2      HIS -11  10.607  -2.557  -8.473
   60    HB3  HIS -11           HB1      HIS -11   9.352  -1.361  -8.780
   61    HD1  HIS -11           HD1      HIS -11  10.988  -3.915 -10.492
   62    HD2  HIS -11           HD2      HIS -11  10.136   0.039 -11.446
   63    HE1  HIS -11           HE1      HIS -11  11.131  -3.777 -12.999
   64    HE2  HIS -11           HE2      HIS -11  10.450  -1.417 -13.556
   65    H    SER -10           HN       SER -10   9.064   0.485  -7.928
   66    HA   SER -10           HA       SER -10   9.681   3.193  -8.674
   67    HB2  SER -10           HB2      SER -10   7.637   1.625 -10.280
   68    HB3  SER -10           HB1      SER -10   7.890   3.366 -10.382
   69    HG   SER -10           HG       SER -10  10.248   2.179 -10.685
   70    H    SER  -9           HN       SER  -9   9.088   3.762  -6.630
   71    HA   SER  -9           HA       SER  -9   7.783   4.297  -4.865
   72    HB2  SER  -9           HB2      SER  -9   5.453   3.660  -6.694
   73    HB3  SER  -9           HB1      SER  -9   5.374   4.570  -5.185
   74    HG   SER  -9           HG       SER  -9   7.016   5.356  -7.361
   75    H    GLY  -8           HN       GLY  -8   8.537   2.580  -3.635
   76    HA2  GLY  -8           HA2      GLY  -8   6.924   0.115  -3.676
   77    HA3  GLY  -8           HA1      GLY  -8   8.529   0.274  -2.979
   78    H    LEU  -7           HN       LEU  -7   7.923  -0.537  -0.982
   79    HA   LEU  -7           HA       LEU  -7   5.735   0.668   0.469
   80    HB2  LEU  -7           HB2      LEU  -7   7.783  -1.357   1.400
   81    HB3  LEU  -7           HB1      LEU  -7   6.351  -0.874   2.286
   82    HG   LEU  -7           HG       LEU  -7   5.010  -1.785   0.308
   83   HD11  LEU  -7          HD11      LEU  -7   6.102  -3.549  -0.991
   84   HD12  LEU  -7          HD12      LEU  -7   7.652  -3.108  -0.274
   85   HD13  LEU  -7          HD13      LEU  -7   6.804  -1.963  -1.312
   86   HD21  LEU  -7          HD21      LEU  -7   5.124  -4.065   1.182
   87   HD22  LEU  -7          HD22      LEU  -7   5.117  -2.871   2.479
   88   HD23  LEU  -7          HD23      LEU  -7   6.623  -3.666   2.021
   89    H    GLU  -6           HN       GLU  -6   7.083   2.729  -0.038
   90    HA   GLU  -6           HA       GLU  -6   9.016   3.228   2.124
   91    HB2  GLU  -6           HB2      GLU  -6   9.880   5.021   0.527
   92    HB3  GLU  -6           HB1      GLU  -6  10.185   3.349   0.079
   93    HG2  GLU  -6           HG2      GLU  -6   8.111   3.498  -1.364
   94    HG3  GLU  -6           HG1      GLU  -6   8.151   5.236  -1.073
   95    H    VAL  -5           HN       VAL  -5   6.780   3.597   3.195
   96    HA   VAL  -5           HA       VAL  -5   6.384   6.485   3.248
   97    HB   VAL  -5           HB       VAL  -5   4.570   5.889   1.821
   98   HG11  VAL  -5          HG11      VAL  -5   4.582   3.484   2.174
   99   HG12  VAL  -5          HG12      VAL  -5   2.952   4.136   2.344
  100   HG13  VAL  -5          HG13      VAL  -5   3.885   3.705   3.778
  101   HG21  VAL  -5          HG21      VAL  -5   3.960   7.455   3.560
  102   HG22  VAL  -5          HG22      VAL  -5   3.539   6.126   4.641
  103   HG23  VAL  -5          HG23      VAL  -5   2.594   6.406   3.179
  104    H    LEU  -4           HN       LEU  -4   7.232   6.758   5.230
  105    HA   LEU  -4           HA       LEU  -4   5.786   5.506   7.456
  106    HB2  LEU  -4           HB2      LEU  -4   7.961   4.333   7.057
  107    HB3  LEU  -4           HB1      LEU  -4   8.786   5.847   7.368
  108    HG   LEU  -4           HG       LEU  -4   7.814   5.842   9.670
  109   HD11  LEU  -4          HD11      LEU  -4   6.956   3.049   8.925
  110   HD12  LEU  -4          HD12      LEU  -4   5.885   4.415   9.232
  111   HD13  LEU  -4          HD13      LEU  -4   6.878   3.764  10.535
  112   HD21  LEU  -4          HD21      LEU  -4   9.478   3.436   8.933
  113   HD22  LEU  -4          HD22      LEU  -4   9.329   4.139  10.543
  114   HD23  LEU  -4          HD23      LEU  -4  10.088   5.061   9.245
  115    H    PHE  -3           HN       PHE  -3   4.987   7.892   6.750
  116    HA   PHE  -3           HA       PHE  -3   6.211   9.658   8.749
  117    HB2  PHE  -3           HB2      PHE  -3   5.693  11.598   7.229
  118    HB3  PHE  -3           HB1      PHE  -3   6.984  10.540   6.676
  119    HD1  PHE  -3           HD1      PHE  -3   6.786   9.302   4.657
  120    HD2  PHE  -3           HD2      PHE  -3   3.494  11.560   6.120
  121    HE1  PHE  -3           HE1      PHE  -3   5.654   9.044   2.489
  122    HE2  PHE  -3           HE2      PHE  -3   2.351  11.304   3.957
  123    HZ   PHE  -3           HZ       PHE  -3   3.431  10.045   2.137
  124    H    GLN  -2           HN       GLN  -2   3.613   7.932   8.182
  125    HA   GLN  -2           HA       GLN  -2   1.880   9.234   9.915
  126    HB2  GLN  -2           HB2      GLN  -2   1.759  10.919   8.062
  127    HB3  GLN  -2           HB1      GLN  -2   1.090   9.670   7.022
  128    HG2  GLN  -2           HG2      GLN  -2  -0.809   9.441   8.577
  129    HG3  GLN  -2           HG1      GLN  -2  -0.151  10.767   9.535
  130   HE21  GLN  -2          HE21      GLN  -2  -1.961  12.047   9.196
  131   HE22  GLN  -2          HE22      GLN  -2  -2.281  12.802   7.673
  132    H    GLY  -1           HN       GLY  -1   1.880   6.928  10.468
  133    HA2  GLY  -1           HA2      GLY  -1  -0.364   5.562  10.112
  134    HA3  GLY  -1           HA1      GLY  -1   0.451   5.180   8.606
  135    HA   PRO   0           HA       PRO   0   2.102   2.302  11.929
  136    HB2  PRO   0           HB2      PRO   0   0.131   0.651  12.600
  137    HB3  PRO   0           HB1      PRO   0   0.202   2.277  13.286
  138    HG2  PRO   0           HG2      PRO   0  -1.581   1.194  11.170
  139    HG3  PRO   0           HG1      PRO   0  -1.906   2.441  12.385
  140    HD2  PRO   0           HD2      PRO   0  -1.144   2.829   9.669
  141    HD3  PRO   0           HD1      PRO   0  -1.324   4.068  10.924
  142    H    ARG   1           HN       ARG   1   1.520  -0.399  11.908
  143    HA   ARG   1           HA       ARG   1   1.230  -1.292   9.151
  144    HB2  ARG   1           HB2      ARG   1   3.258  -2.704   9.308
  145    HB3  ARG   1           HB1      ARG   1   3.623  -0.988   9.329
  146    HG2  ARG   1           HG2      ARG   1   3.947  -1.070  11.735
  147    HG3  ARG   1           HG1      ARG   1   3.523  -2.783  11.747
  148    HD2  ARG   1           HD2      ARG   1   5.439  -3.296  10.363
  149    HD3  ARG   1           HD1      ARG   1   5.839  -1.585  10.232
  150    HE   ARG   1           HE       ARG   1   5.834  -2.112  12.924
  151   HH11  ARG   1          HH11      ARG   1   7.504  -3.386  10.134
  152   HH12  ARG   1          HH12      ARG   1   8.942  -3.796  11.011
  153   HH21  ARG   1          HH21      ARG   1   7.737  -2.632  14.095
  154   HH22  ARG   1          HH22      ARG   1   9.076  -3.364  13.268
  155    H    ARG   2           HN       ARG   2   1.605  -3.881   9.267
  156    HA   ARG   2           HA       ARG   2   0.762  -5.207  11.633
  157    HB2  ARG   2           HB2      ARG   2  -1.384  -4.041  10.754
  158    HB3  ARG   2           HB1      ARG   2  -1.338  -5.210   9.446
  159    HG2  ARG   2           HG2      ARG   2  -1.506  -7.024  11.010
  160    HG3  ARG   2           HG1      ARG   2  -1.441  -5.885  12.342
  161    HD2  ARG   2           HD2      ARG   2  -3.524  -4.855  11.560
  162    HD3  ARG   2           HD1      ARG   2  -3.589  -6.030  10.247
  163    HE   ARG   2           HE       ARG   2  -4.197  -6.486  13.043
  164   HH11  ARG   2          HH11      ARG   2  -3.489  -7.927   9.928
  165   HH12  ARG   2          HH12      ARG   2  -4.239  -9.444  10.317
  166   HH21  ARG   2          HH21      ARG   2  -5.181  -8.483  13.552
  167   HH22  ARG   2          HH22      ARG   2  -5.209  -9.752  12.374
  168    H    ALA   3           HN       ALA   3   0.010  -7.677  10.737
  169    HA   ALA   3           HA       ALA   3   1.938  -8.192   8.555
  170    HB1  ALA   3           HB1      ALA   3   1.330 -10.173  10.750
  171    HB2  ALA   3           HB2      ALA   3   2.704  -9.063  10.762
  172    HB3  ALA   3           HB3      ALA   3   2.567 -10.283   9.501
  173    H    GLY   4           HN       GLY   4  -0.532 -10.272  10.078
  174    HA2  GLY   4           HA2      GLY   4  -1.146 -11.406   7.476
  175    HA3  GLY   4           HA1      GLY   4  -1.791 -11.910   9.026
  176    H    THR   5           HN       THR   5  -2.007  -9.059   6.828
  177    HA   THR   5           HA       THR   5  -4.847  -8.919   7.574
  178    HB   THR   5           HB       THR   5  -3.542  -6.441   6.631
  179    HG1  THR   5           HG1      THR   5  -1.858  -6.975   7.900
  180   HG21  THR   5          HG21      THR   5  -5.844  -6.415   7.507
  181   HG22  THR   5          HG22      THR   5  -4.782  -5.528   8.606
  182   HG23  THR   5          HG23      THR   5  -5.298  -7.151   9.016
  183    H    CYS   6           HN       CYS   6  -6.052  -7.446   5.859
  184    HA   CYS   6           HA       CYS   6  -5.127  -8.097   3.126
  185    HB2  CYS   6           HB2      CYS   6  -8.002  -8.045   3.910
  186    HB3  CYS   6           HB1      CYS   6  -7.300  -8.811   2.510
  187    HG   CYS   6           HG       CYS   6  -7.448  -9.923   5.724
  188    H    CYS   7           HN       CYS   7  -5.869  -6.552   1.474
  189    HA   CYS   7           HA       CYS   7  -5.752  -3.901   2.657
  190    HB2  CYS   7           HB2      CYS   7  -4.303  -4.338   0.711
  191    HB3  CYS   7           HB1      CYS   7  -5.696  -4.634  -0.280
  192    H    ALA   8           HN       ALA   8  -7.419  -2.604   3.042
  193    HA   ALA   8           HA       ALA   8 -10.098  -3.043   2.409
  194    HB1  ALA   8           HB1      ALA   8  -8.803  -0.392   3.028
  195    HB2  ALA   8           HB2      ALA   8  -9.285  -1.582   4.243
  196    HB3  ALA   8           HB3      ALA   8 -10.503  -0.808   3.231
  197    H    ASN   9           HN       ASN   9  -8.332  -3.017   0.035
  198    HA   ASN   9           HA       ASN   9  -9.970  -1.473  -1.730
  199    HB2  ASN   9           HB2      ASN   9  -8.471   0.295  -1.039
  200    HB3  ASN   9           HB1      ASN   9  -7.043  -0.736  -1.381
  201   HD21  ASN   9          HD21      ASN   9  -6.467  -1.115  -3.515
  202   HD22  ASN   9          HD22      ASN   9  -7.037  -0.156  -4.817
  203    H    CYS  10           HN       CYS  10  -6.965  -3.410  -1.397
  204    HA   CYS  10           HA       CYS  10  -7.469  -4.372  -4.134
  205    HB2  CYS  10           HB2      CYS  10  -4.794  -4.671  -2.740
  206    HB3  CYS  10           HB1      CYS  10  -5.187  -4.683  -4.479
  207    H    GLN  11           HN       GLN  11  -7.984  -5.293  -1.074
  208    HA   GLN  11           HA       GLN  11  -7.798  -7.105   0.258
  209    HB2  GLN  11           HB2      GLN  11  -9.181  -7.938  -2.244
  210    HB3  GLN  11           HB1      GLN  11  -8.931  -9.115  -0.959
  211    HG2  GLN  11           HG2      GLN  11 -10.320  -6.463  -0.656
  212    HG3  GLN  11           HG1      GLN  11 -11.120  -8.025  -0.818
  213   HE21  GLN  11          HE21      GLN  11 -11.102  -9.454   0.901
  214   HE22  GLN  11          HE22      GLN  11 -10.641  -8.983   2.500
  215    H    THR  12           HN       THR  12  -5.399  -6.857  -1.753
  216    HA   THR  12           HA       THR  12  -4.304  -9.441  -1.767
  217    HB   THR  12           HB       THR  12  -3.370  -7.404  -3.034
  218    HG1  THR  12           HG1      THR  12  -2.172  -9.273  -3.050
  219   HG21  THR  12          HG21      THR  12  -3.267  -5.912  -1.011
  220   HG22  THR  12          HG22      THR  12  -1.741  -6.022  -1.889
  221   HG23  THR  12          HG23      THR  12  -1.958  -6.926  -0.391
  222    H    THR  13           HN       THR  13  -2.852 -10.323  -0.324
  223    HA   THR  13           HA       THR  13  -2.821  -9.099   2.339
  224    HB   THR  13           HB       THR  13  -2.816 -11.440   3.267
  225    HG1  THR  13           HG1      THR  13  -3.910 -12.245   0.780
  226   HG21  THR  13          HG21      THR  13  -5.217 -11.675   3.127
  227   HG22  THR  13          HG22      THR  13  -5.265 -10.710   1.655
  228   HG23  THR  13          HG23      THR  13  -4.832  -9.949   3.186
  229    H    THR  14           HN       THR  14  -1.133  -9.759  -0.255
  230    HA   THR  14           HA       THR  14   1.325 -10.540   1.061
  231    HB   THR  14           HB       THR  14   1.536  -9.689  -1.720
  232    HG1  THR  14           HG1      THR  14  -0.311 -10.528  -2.357
  233   HG21  THR  14          HG21      THR  14   2.544 -11.883  -1.960
  234   HG22  THR  14          HG22      THR  14   1.947 -12.345  -0.366
  235   HG23  THR  14          HG23      THR  14   3.165 -11.073  -0.522
  236    H    THR  15           HN       THR  15   1.207  -8.582   2.389
  237    HA   THR  15           HA       THR  15   2.669  -6.438   1.139
  238    HB   THR  15           HB       THR  15  -0.000  -5.718   2.427
  239    HG1  THR  15           HG1      THR  15   0.608  -6.459  -0.080
  240   HG21  THR  15          HG21      THR  15   0.585  -3.459   1.624
  241   HG22  THR  15          HG22      THR  15   2.174  -4.060   1.154
  242   HG23  THR  15          HG23      THR  15   1.697  -4.058   2.851
  243    H    THR  16           HN       THR  16   4.086  -5.536   2.600
  244    HA   THR  16           HA       THR  16   4.006  -6.681   5.292
  245    HB   THR  16           HB       THR  16   6.294  -5.097   4.143
  246    HG1  THR  16           HG1      THR  16   5.282  -7.451   3.222
  247   HG21  THR  16          HG21      THR  16   7.627  -6.526   5.604
  248   HG22  THR  16          HG22      THR  16   6.183  -7.418   6.083
  249   HG23  THR  16          HG23      THR  16   6.362  -5.722   6.530
  250    H    LEU  17           HN       LEU  17   3.067  -3.834   3.830
  251    HA   LEU  17           HA       LEU  17   3.576  -2.274   6.328
  252    HB2  LEU  17           HB2      LEU  17   5.072  -1.610   4.450
  253    HB3  LEU  17           HB1      LEU  17   3.664  -1.211   3.494
  254    HG   LEU  17           HG       LEU  17   3.120   0.637   4.907
  255   HD11  LEU  17          HD11      LEU  17   4.460   1.190   6.903
  256   HD12  LEU  17          HD12      LEU  17   5.333  -0.330   6.716
  257   HD13  LEU  17          HD13      LEU  17   3.606  -0.343   7.072
  258   HD21  LEU  17          HD21      LEU  17   5.135   2.015   4.716
  259   HD22  LEU  17          HD22      LEU  17   4.870   1.054   3.263
  260   HD23  LEU  17          HD23      LEU  17   6.097   0.565   4.430
  261    H    TRP  18           HN       TRP  18   1.491  -2.737   7.053
  262    HA   TRP  18           HA       TRP  18  -0.738  -2.011   5.401
  263    HB2  TRP  18           HB2      TRP  18  -0.662  -3.237   8.179
  264    HB3  TRP  18           HB1      TRP  18  -2.132  -2.968   7.320
  265    HD1  TRP  18           HD1      TRP  18   0.673  -5.385   7.673
  266    HE1  TRP  18           HE1      TRP  18   0.322  -7.394   6.125
  267    HE3  TRP  18           HE3      TRP  18  -3.101  -3.534   4.830
  268    HZ2  TRP  18           HZ2      TRP  18  -1.328  -8.108   4.022
  269    HZ3  TRP  18           HZ3      TRP  18  -4.076  -4.939   3.071
  270    HH2  TRP  18           HH2      TRP  18  -3.218  -7.168   2.644
  271    H    ARG  19           HN       ARG  19  -0.785   0.184   5.309
  272    HA   ARG  19           HA       ARG  19  -0.950   1.803   7.772
  273    HB2  ARG  19           HB2      ARG  19  -1.706   3.203   5.320
  274    HB3  ARG  19           HB1      ARG  19  -0.346   3.489   6.403
  275    HG2  ARG  19           HG2      ARG  19   0.709   1.439   5.246
  276    HG3  ARG  19           HG1      ARG  19  -0.470   1.756   3.972
  277    HD2  ARG  19           HD2      ARG  19   1.563   2.837   3.375
  278    HD3  ARG  19           HD1      ARG  19   0.440   4.106   3.846
  279    HE   ARG  19           HE       ARG  19   2.830   3.242   5.278
  280   HH11  ARG  19          HH11      ARG  19  -0.066   5.208   5.297
  281   HH12  ARG  19          HH12      ARG  19   0.502   6.257   6.558
  282   HH21  ARG  19          HH21      ARG  19   3.590   4.623   6.920
  283   HH22  ARG  19          HH22      ARG  19   2.578   5.907   7.495
  284    H    ARG  20           HN       ARG  20  -2.888   3.429   7.824
  285    HA   ARG  20           HA       ARG  20  -5.345   1.897   7.397
  286    HB2  ARG  20           HB2      ARG  20  -4.621   4.109   9.297
  287    HB3  ARG  20           HB1      ARG  20  -6.279   3.623   9.032
  288    HG2  ARG  20           HG2      ARG  20  -4.128   2.288  10.524
  289    HG3  ARG  20           HG1      ARG  20  -5.867   2.372  10.805
  290    HD2  ARG  20           HD2      ARG  20  -6.315   0.634   9.282
  291    HD3  ARG  20           HD1      ARG  20  -4.691   0.710   8.603
  292    HE   ARG  20           HE       ARG  20  -3.858  -0.276  10.643
  293   HH11  ARG  20          HH11      ARG  20  -7.352  -0.346  10.321
  294   HH12  ARG  20          HH12      ARG  20  -7.525  -1.785  11.279
  295   HH21  ARG  20          HH21      ARG  20  -4.104  -2.151  11.915
  296   HH22  ARG  20          HH22      ARG  20  -5.691  -2.805  12.186
  297    H    ASN  21           HN       ASN  21  -7.140   2.811   6.454
  298    HA   ASN  21           HA       ASN  21  -6.627   5.166   4.814
  299    HB2  ASN  21           HB2      ASN  21  -8.546   4.629   3.497
  300    HB3  ASN  21           HB1      ASN  21  -7.716   3.079   3.812
  301   HD21  ASN  21          HD21      ASN  21  -9.955   2.400   3.099
  302   HD22  ASN  21          HD22      ASN  21 -11.183   2.274   4.266
  303    H    ALA  22           HN       ALA  22  -9.324   6.188   4.596
  304    HA   ALA  22           HA       ALA  22  -9.204   8.135   6.562
  305    HB1  ALA  22           HB1      ALA  22 -11.362   8.855   5.763
  306    HB2  ALA  22           HB2      ALA  22 -11.634   7.284   5.008
  307    HB3  ALA  22           HB3      ALA  22 -10.358   8.345   4.403
  308    H    ASN  23           HN       ASN  23 -10.602   4.971   6.849
  309    HA   ASN  23           HA       ASN  23 -12.297   5.848   9.078
  310    HB2  ASN  23           HB2      ASN  23 -13.260   4.515   7.105
  311    HB3  ASN  23           HB1      ASN  23 -12.364   3.158   7.754
  312   HD21  ASN  23          HD21      ASN  23 -14.113   1.913   8.356
  313   HD22  ASN  23          HD22      ASN  23 -15.215   2.400   9.582
  314    H    GLY  24           HN       GLY  24  -9.307   4.721   8.485
  315    HA2  GLY  24           HA2      GLY  24  -7.777   3.798   9.987
  316    HA3  GLY  24           HA1      GLY  24  -9.121   3.347  11.020
  317    H    ASP  25           HN       ASP  25  -9.237   2.665   7.645
  318    HA   ASP  25           HA       ASP  25  -9.384  -0.177   8.341
  319    HB2  ASP  25           HB2      ASP  25 -10.954   1.266   6.562
  320    HB3  ASP  25           HB1      ASP  25  -9.798   0.444   5.516
  321    HA   PRO  26           HA       PRO  26  -5.275  -0.822   7.167
  322    HB2  PRO  26           HB2      PRO  26  -5.419  -3.526   6.551
  323    HB3  PRO  26           HB1      PRO  26  -5.282  -2.835   8.202
  324    HG2  PRO  26           HG2      PRO  26  -7.677  -3.873   6.747
  325    HG3  PRO  26           HG1      PRO  26  -7.276  -3.964   8.484
  326    HD2  PRO  26           HD2      PRO  26  -9.099  -2.179   7.468
  327    HD3  PRO  26           HD1      PRO  26  -8.142  -1.860   8.919
  328    H    VAL  27           HN       VAL  27  -4.108  -0.536   5.404
  329    HA   VAL  27           HA       VAL  27  -5.162  -1.508   2.831
  330    HB   VAL  27           HB       VAL  27  -4.141   0.679   1.822
  331   HG11  VAL  27          HG11      VAL  27  -6.867   0.587   3.064
  332   HG12  VAL  27          HG12      VAL  27  -6.418   0.030   1.449
  333   HG13  VAL  27          HG13      VAL  27  -6.357   1.751   1.847
  334   HG21  VAL  27          HG21      VAL  27  -5.044   1.727   4.495
  335   HG22  VAL  27          HG22      VAL  27  -4.641   2.705   3.094
  336   HG23  VAL  27          HG23      VAL  27  -3.399   1.747   3.879
  337    H    CYS  28           HN       CYS  28  -3.628  -1.858   1.248
  338    HA   CYS  28           HA       CYS  28  -1.130  -2.759   2.212
  339    HB2  CYS  28           HB2      CYS  28  -0.890  -3.572  -0.045
  340    HB3  CYS  28           HB1      CYS  28  -2.607  -3.579   0.246
  341    H    ASN  29           HN       ASN  29   1.045  -1.834   1.040
  342    HA   ASN  29           HA       ASN  29   1.234   0.702   2.150
  343    HB2  ASN  29           HB2      ASN  29   3.473   0.180   2.023
  344    HB3  ASN  29           HB1      ASN  29   3.047  -1.211   1.007
  345   HD21  ASN  29          HD21      ASN  29   3.612   2.368   0.717
  346   HD22  ASN  29          HD22      ASN  29   4.370   2.219  -0.816
  347    H    ALA  30           HN       ALA  30   1.093  -0.217  -1.241
  348    HA   ALA  30           HA       ALA  30   1.305   2.224  -2.456
  349    HB1  ALA  30           HB1      ALA  30  -0.158   1.472  -4.213
  350    HB2  ALA  30           HB2      ALA  30  -0.685   0.119  -3.208
  351    HB3  ALA  30           HB3      ALA  30   0.993   0.218  -3.746
  352    H    CYS  31           HN       CYS  31  -1.617   0.915  -0.970
  353    HA   CYS  31           HA       CYS  31  -3.245   3.091  -1.760
  354    HB2  CYS  31           HB2      CYS  31  -3.672   0.912   0.194
  355    HB3  CYS  31           HB1      CYS  31  -4.868   2.136  -0.119
  356    H    GLY  32           HN       GLY  32  -1.733   2.299   1.342
  357    HA2  GLY  32           HA2      GLY  32  -2.673   4.721   2.562
  358    HA3  GLY  32           HA1      GLY  32  -1.321   3.718   3.168
  359    H    LEU  33           HN       LEU  33   0.239   3.853   0.765
  360    HA   LEU  33           HA       LEU  33   1.692   6.230   1.307
  361    HB2  LEU  33           HB2      LEU  33   2.688   4.145   0.414
  362    HB3  LEU  33           HB1      LEU  33   1.928   4.451  -1.120
  363    HG   LEU  33           HG       LEU  33   3.636   6.614  -0.127
  364   HD11  LEU  33          HD11      LEU  33   5.694   5.531  -0.776
  365   HD12  LEU  33          HD12      LEU  33   4.824   4.055  -1.190
  366   HD13  LEU  33          HD13      LEU  33   4.927   4.572   0.490
  367   HD21  LEU  33          HD21      LEU  33   2.499   6.635  -2.290
  368   HD22  LEU  33          HD22      LEU  33   3.360   5.164  -2.738
  369   HD23  LEU  33          HD23      LEU  33   4.253   6.663  -2.476
  370    H    TYR  34           HN       TYR  34  -0.502   5.219  -1.325
  371    HA   TYR  34           HA       TYR  34   0.069   7.575  -2.747
  372    HB2  TYR  34           HB2      TYR  34  -0.477   5.562  -3.942
  373    HB3  TYR  34           HB1      TYR  34  -2.023   5.448  -3.129
  374    HD1  TYR  34           HD1      TYR  34  -3.824   7.072  -3.665
  375    HD2  TYR  34           HD2      TYR  34  -0.226   6.792  -5.910
  376    HE1  TYR  34           HE1      TYR  34  -4.932   8.133  -5.577
  377    HE2  TYR  34           HE2      TYR  34  -1.318   7.885  -7.819
  378    HH   TYR  34           HH       TYR  34  -4.262   9.486  -7.598
  379    H    TYR  35           HN       TYR  35  -2.689   6.436  -0.812
  380    HA   TYR  35           HA       TYR  35  -4.237   8.752  -1.109
  381    HB2  TYR  35           HB2      TYR  35  -5.025   6.650  -0.004
  382    HB3  TYR  35           HB1      TYR  35  -4.054   7.084   1.390
  383    HD1  TYR  35           HD1      TYR  35  -7.138   7.652  -0.359
  384    HD2  TYR  35           HD2      TYR  35  -4.628   9.082   2.731
  385    HE1  TYR  35           HE1      TYR  35  -8.983   8.959   0.520
  386    HE2  TYR  35           HE2      TYR  35  -6.463  10.400   3.643
  387    HH   TYR  35           HH       TYR  35  -9.706   9.994   2.588
  388    H    LYS  36           HN       LYS  36  -1.309   8.263   0.726
  389    HA   LYS  36           HA       LYS  36  -1.717  10.500   2.436
  390    HB2  LYS  36           HB2      LYS  36   0.493   8.670   1.832
  391    HB3  LYS  36           HB1      LYS  36   1.007  10.307   2.177
  392    HG2  LYS  36           HG2      LYS  36   1.056   9.106   4.210
  393    HG3  LYS  36           HG1      LYS  36  -0.260  10.239   4.296
  394    HD2  LYS  36           HD2      LYS  36  -0.689   7.390   3.524
  395    HD3  LYS  36           HD1      LYS  36  -0.574   7.869   5.213
  396    HE2  LYS  36           HE2      LYS  36  -2.536   9.009   3.233
  397    HE3  LYS  36           HE1      LYS  36  -2.879   7.722   4.374
  398    HZ1  LYS  36           HZ1      LYS  36  -2.018  10.453   5.136
  399    HZ2  LYS  36           HZ2      LYS  36  -2.458   9.209   6.192
  400    HZ3  LYS  36           HZ3      LYS  36  -3.615   9.897   5.170
  401    H    LEU  37           HN       LEU  37  -0.078   9.947  -0.595
  402    HA   LEU  37           HA       LEU  37   0.953  12.561  -0.831
  403    HB2  LEU  37           HB2      LEU  37   0.364  10.874  -3.237
  404    HB3  LEU  37           HB1      LEU  37   1.736  11.935  -2.929
  405    HG   LEU  37           HG       LEU  37   1.332   9.368  -1.428
  406   HD11  LEU  37          HD11      LEU  37   2.950   8.380  -3.027
  407   HD12  LEU  37          HD12      LEU  37   2.740   9.798  -4.053
  408   HD13  LEU  37          HD13      LEU  37   1.373   8.728  -3.731
  409   HD21  LEU  37          HD21      LEU  37   3.724   9.506  -1.074
  410   HD22  LEU  37          HD22      LEU  37   2.944  10.987  -0.505
  411   HD23  LEU  37          HD23      LEU  37   3.804  10.974  -2.048
  412    H    HIS  38           HN       HIS  38  -1.995  10.956  -1.885
  413    HA   HIS  38           HA       HIS  38  -2.715  13.358  -3.429
  414    HB2  HIS  38           HB2      HIS  38  -3.004  10.448  -4.127
  415    HB3  HIS  38           HB1      HIS  38  -3.814  11.725  -5.020
  416    HD1  HIS  38           HD1      HIS  38  -1.781  10.022  -6.519
  417    HD2  HIS  38           HD2      HIS  38  -0.760  13.498  -4.496
  418    HE1  HIS  38           HE1      HIS  38   0.449  10.716  -7.441
  419    HE2  HIS  38           HE2      HIS  38   0.911  12.953  -6.390
  420    H    ASN  39           HN       ASN  39  -3.672  11.559  -0.841
  421    HA   ASN  39           HA       ASN  39  -5.599  11.430   0.416
  422    HB2  ASN  39           HB2      ASN  39  -6.064  13.821  -1.250
  423    HB3  ASN  39           HB1      ASN  39  -7.335  13.272  -0.204
  424   HD21  ASN  39          HD21      ASN  39  -5.458  12.455   1.984
  425   HD22  ASN  39          HD22      ASN  39  -4.845  13.930   2.632
  426    H    VAL  40           HN       VAL  40  -5.533   9.796  -1.964
  427    HA   VAL  40           HA       VAL  40  -8.363   9.224  -2.040
  428    HB   VAL  40           HB       VAL  40  -8.056   8.801  -4.646
  429   HG11  VAL  40          HG11      VAL  40  -9.868  10.032  -3.637
  430   HG12  VAL  40          HG12      VAL  40  -9.247  10.893  -5.045
  431   HG13  VAL  40          HG13      VAL  40  -8.821  11.434  -3.422
  432   HG21  VAL  40          HG21      VAL  40  -6.490  11.339  -4.215
  433   HG22  VAL  40          HG22      VAL  40  -6.911  10.582  -5.763
  434   HG23  VAL  40          HG23      VAL  40  -5.781   9.789  -4.677
  435    H    ASN  41           HN       ASN  41  -8.825   7.195  -3.136
  436    HA   ASN  41           HA       ASN  41  -7.099   5.194  -2.170
  437    HB2  ASN  41           HB2      ASN  41  -9.625   5.219  -3.740
  438    HB3  ASN  41           HB1      ASN  41  -8.631   3.779  -3.855
  439   HD21  ASN  41          HD21      ASN  41 -10.448   5.831  -1.724
  440   HD22  ASN  41          HD22      ASN  41 -10.603   4.697  -0.433
  441    H    ARG  42           HN       ARG  42  -6.231   3.409  -3.612
  442    HA   ARG  42           HA       ARG  42  -4.471   4.842  -5.443
  443    HB2  ARG  42           HB2      ARG  42  -3.869   3.383  -3.344
  444    HB3  ARG  42           HB1      ARG  42  -3.929   2.084  -4.482
  445    HG2  ARG  42           HG2      ARG  42  -2.220   4.518  -4.815
  446    HG3  ARG  42           HG1      ARG  42  -1.668   3.021  -4.079
  447    HD2  ARG  42           HD2      ARG  42  -2.114   1.848  -6.191
  448    HD3  ARG  42           HD1      ARG  42  -2.633   3.373  -6.914
  449    HE   ARG  42           HE       ARG  42  -0.007   3.511  -5.765
  450   HH11  ARG  42          HH11      ARG  42  -1.786   2.585  -8.643
  451   HH12  ARG  42          HH12      ARG  42  -0.416   2.798  -9.693
  452   HH21  ARG  42          HH21      ARG  42   1.772   3.783  -7.143
  453   HH22  ARG  42          HH22      ARG  42   1.602   3.478  -8.842
  454    HA   PRO  43           HA       PRO  43  -6.593   2.575  -8.796
  455    HB2  PRO  43           HB2      PRO  43  -4.583   4.183 -10.288
  456    HB3  PRO  43           HB1      PRO  43  -6.310   3.974 -10.602
  457    HG2  PRO  43           HG2      PRO  43  -5.412   6.252  -9.581
  458    HG3  PRO  43           HG1      PRO  43  -6.920   5.537  -8.987
  459    HD2  PRO  43           HD2      PRO  43  -4.190   5.503  -7.751
  460    HD3  PRO  43           HD1      PRO  43  -5.805   5.761  -6.980
  461    H    LEU  44           HN       LEU  44  -5.774   0.856 -10.079
  462    HA   LEU  44           HA       LEU  44  -3.001   0.156  -9.628
  463    HB2  LEU  44           HB2      LEU  44  -5.156  -1.737  -8.697
  464    HB3  LEU  44           HB1      LEU  44  -3.430  -1.960  -8.551
  465    HG   LEU  44           HG       LEU  44  -4.372   0.456  -7.201
  466   HD11  LEU  44          HD11      LEU  44  -5.456  -2.230  -6.371
  467   HD12  LEU  44          HD12      LEU  44  -6.391  -0.816  -6.856
  468   HD13  LEU  44          HD13      LEU  44  -5.464  -0.786  -5.362
  469   HD21  LEU  44          HD21      LEU  44  -2.893  -0.177  -5.532
  470   HD22  LEU  44          HD22      LEU  44  -2.150  -0.923  -6.954
  471   HD23  LEU  44          HD23      LEU  44  -3.120  -1.905  -5.843
  472    H    THR  45           HN       THR  45  -5.543  -2.120 -10.321
  473    HA   THR  45           HA       THR  45  -5.234  -2.124 -13.154
  474    HB   THR  45           HB       THR  45  -4.458  -4.610 -13.103
  475    HG1  THR  45           HG1      THR  45  -2.982  -3.981 -10.821
  476   HG21  THR  45          HG21      THR  45  -2.076  -4.014 -13.176
  477   HG22  THR  45          HG22      THR  45  -2.456  -2.440 -12.478
  478   HG23  THR  45          HG23      THR  45  -3.068  -2.866 -14.076
  479    H    MET  46           HN       MET  46  -6.040  -4.951 -13.419
  480    HA   MET  46           HA       MET  46  -8.601  -4.876 -11.963
  481    HB2  MET  46           HB2      MET  46  -7.970  -6.633 -14.353
  482    HB3  MET  46           HB1      MET  46  -9.537  -6.332 -13.625
  483    HG2  MET  46           HG2      MET  46  -7.863  -4.341 -15.133
  484    HG3  MET  46           HG1      MET  46  -9.335  -5.126 -15.699
  485    HE1  MET  46           HE1      MET  46 -11.157  -5.064 -13.077
  486    HE2  MET  46           HE2      MET  46 -11.755  -4.647 -14.683
  487    HE3  MET  46           HE3      MET  46 -12.040  -3.559 -13.324
  488    H    LYS  47           HN       LYS  47  -7.109  -5.496 -10.180
  489    HA   LYS  47           HA       LYS  47  -6.338  -6.965  -8.654
  490    HB2  LYS  47           HB2      LYS  47  -7.952  -8.918 -10.291
  491    HB3  LYS  47           HB1      LYS  47  -7.145  -9.347  -8.788
  492    HG2  LYS  47           HG2      LYS  47  -8.479  -7.733  -7.573
  493    HG3  LYS  47           HG1      LYS  47  -9.246  -7.209  -9.073
  494    HD2  LYS  47           HD2      LYS  47 -10.219  -9.412  -9.375
  495    HD3  LYS  47           HD1      LYS  47  -9.397  -9.993  -7.926
  496    HE2  LYS  47           HE2      LYS  47 -11.446  -7.782  -7.995
  497    HE3  LYS  47           HE1      LYS  47 -11.769  -9.449  -7.528
  498    HZ1  LYS  47           HZ1      LYS  47  -9.935  -7.568  -6.145
  499    HZ2  LYS  47           HZ2      LYS  47 -10.166  -9.185  -5.714
  500    HZ3  LYS  47           HZ3      LYS  47 -11.444  -8.087  -5.585
  501    H    LYS  48           HN       LYS  48  -4.827  -6.295 -10.961
  502    HA   LYS  48           HA       LYS  48  -2.878  -6.730 -12.000
  503    HB2  LYS  48           HB2      LYS  48  -2.143  -6.839  -9.658
  504    HB3  LYS  48           HB1      LYS  48  -2.438  -8.572  -9.651
  505    HG2  LYS  48           HG2      LYS  48  -0.738  -8.881 -11.366
  506    HG3  LYS  48           HG1      LYS  48  -0.457  -7.141 -11.408
  507    HD2  LYS  48           HD2      LYS  48   0.294  -7.180  -9.102
  508    HD3  LYS  48           HD1      LYS  48  -0.061  -8.906  -8.996
  509    HE2  LYS  48           HE2      LYS  48   1.952  -7.635 -10.847
  510    HE3  LYS  48           HE1      LYS  48   2.331  -8.477  -9.345
  511    HZ1  LYS  48           HZ1      LYS  48   1.367 -10.491 -10.295
  512    HZ2  LYS  48           HZ2      LYS  48   2.646  -9.922 -11.239
  513    HZ3  LYS  48           HZ3      LYS  48   1.053  -9.678 -11.742
  514    H    GLU  49           HN       GLU  49  -3.859  -7.721 -13.812
  515    HA   GLU  49           HA       GLU  49  -4.011  -9.290 -15.432
  516    HB2  GLU  49           HB2      GLU  49  -1.525  -9.204 -14.974
  517    HB3  GLU  49           HB1      GLU  49  -1.732 -10.651 -14.001
  518    HG2  GLU  49           HG2      GLU  49  -0.925 -11.149 -16.257
  519    HG3  GLU  49           HG1      GLU  49  -2.490 -11.887 -15.929
  Start of MODEL   17
    1    H1   MET -18           HT1      MET -18  24.114  13.352  -8.165
    2    H2   MET -18           HT2      MET -18  24.899  12.744  -6.799
    3    H3   MET -18           HT3      MET -18  23.251  12.441  -7.031
    4    HA   MET -18           HA       MET -18  25.454  11.448  -8.739
    5    HB2  MET -18           HB2      MET -18  23.686  10.079  -6.706
    6    HB3  MET -18           HB1      MET -18  24.640   9.205  -7.892
    7    HG2  MET -18           HG2      MET -18  25.772  11.091  -5.844
    8    HG3  MET -18           HG1      MET -18  25.693   9.340  -5.664
    9    HE1  MET -18           HE1      MET -18  26.365   8.233  -8.517
   10    HE2  MET -18           HE2      MET -18  27.112   7.633  -7.038
   11    HE3  MET -18           HE3      MET -18  28.118   8.066  -8.419
   12    H    ALA -17           HN       ALA -17  24.856  11.012 -10.738
   13    HA   ALA -17           HA       ALA -17  22.129  11.259 -11.580
   14    HB1  ALA -17           HB1      ALA -17  23.003  10.754 -13.814
   15    HB2  ALA -17           HB2      ALA -17  24.561  10.328 -13.110
   16    HB3  ALA -17           HB3      ALA -17  23.973  11.987 -13.012
   17    H    HIS -16           HN       HIS -16  24.267   8.686 -10.726
   18    HA   HIS -16           HA       HIS -16  22.135   6.741 -11.305
   19    HB2  HIS -16           HB2      HIS -16  25.134   6.350 -11.279
   20    HB3  HIS -16           HB1      HIS -16  23.975   5.028 -11.351
   21    HD1  HIS -16           HD1      HIS -16  25.898   7.211 -13.478
   22    HD2  HIS -16           HD2      HIS -16  22.242   5.251 -13.746
   23    HE1  HIS -16           HE1      HIS -16  25.309   7.200 -15.921
   24    HE2  HIS -16           HE2      HIS -16  23.014   6.172 -16.032
   25    H    HIS -15           HN       HIS -15  21.100   6.877  -9.376
   26    HA   HIS -15           HA       HIS -15  22.584   5.877  -7.055
   27    HB2  HIS -15           HB2      HIS -15  22.434   8.261  -6.703
   28    HB3  HIS -15           HB1      HIS -15  20.718   8.257  -7.087
   29    HD1  HIS -15           HD1      HIS -15  19.212   8.205  -5.138
   30    HD2  HIS -15           HD2      HIS -15  22.964   6.682  -4.215
   31    HE1  HIS -15           HE1      HIS -15  19.152   7.714  -2.675
   32    HE2  HIS -15           HE2      HIS -15  21.365   6.621  -2.182
   33    H    HIS -14           HN       HIS -14  21.714   3.880  -7.140
   34    HA   HIS -14           HA       HIS -14  19.004   3.280  -7.613
   35    HB2  HIS -14           HB2      HIS -14  19.561   1.046  -6.611
   36    HB3  HIS -14           HB1      HIS -14  20.635   1.547  -7.910
   37    HD1  HIS -14           HD1      HIS -14  23.025   1.189  -7.426
   38    HD2  HIS -14           HD2      HIS -14  20.823   1.701  -3.944
   39    HE1  HIS -14           HE1      HIS -14  24.660   0.873  -5.543
   40    HE2  HIS -14           HE2      HIS -14  23.341   1.366  -3.454
   41    H    HIS -13           HN       HIS -13  17.405   2.510  -6.171
   42    HA   HIS -13           HA       HIS -13  16.054   2.612  -4.369
   43    HB2  HIS -13           HB2      HIS -13  18.711   2.460  -2.970
   44    HB3  HIS -13           HB1      HIS -13  17.191   2.498  -2.085
   45    HD1  HIS -13           HD1      HIS -13  19.319   0.074  -2.313
   46    HD2  HIS -13           HD2      HIS -13  15.617   0.384  -4.179
   47    HE1  HIS -13           HE1      HIS -13  18.625  -2.285  -2.839
   48    HE2  HIS -13           HE2      HIS -13  16.451  -2.063  -4.087
   49    H    HIS -12           HN       HIS -12  15.298   4.667  -5.008
   50    HA   HIS -12           HA       HIS -12  16.010   6.741  -3.072
   51    HB2  HIS -12           HB2      HIS -12  15.789   8.482  -4.866
   52    HB3  HIS -12           HB1      HIS -12  17.205   7.453  -5.011
   53    HD1  HIS -12           HD1      HIS -12  17.582   6.412  -7.242
   54    HD2  HIS -12           HD2      HIS -12  13.663   7.734  -6.768
   55    HE1  HIS -12           HE1      HIS -12  16.492   6.128  -9.488
   56    HE2  HIS -12           HE2      HIS -12  14.094   6.807  -9.143
   57    H    HIS -11           HN       HIS -11  13.913   4.966  -2.925
   58    HA   HIS -11           HA       HIS -11  11.695   4.852  -2.486
   59    HB2  HIS -11           HB2      HIS -11  11.777   7.879  -2.591
   60    HB3  HIS -11           HB1      HIS -11  10.523   6.896  -1.844
   61    HD1  HIS -11           HD1      HIS -11  13.027   8.974  -0.768
   62    HD2  HIS -11           HD2      HIS -11  12.172   5.007   0.120
   63    HE1  HIS -11           HE1      HIS -11  14.128   8.525   1.445
   64    HE2  HIS -11           HE2      HIS -11  13.777   6.067   1.848
   65    H    SER -10           HN       SER -10  11.841   4.016  -4.777
   66    HA   SER -10           HA       SER -10  10.731   5.808  -6.787
   67    HB2  SER -10           HB2      SER -10  11.745   2.984  -7.138
   68    HB3  SER -10           HB1      SER -10  11.456   4.180  -8.400
   69    HG   SER -10           HG       SER -10  13.607   4.260  -8.005
   70    H    SER  -9           HN       SER  -9  10.175   2.342  -6.062
   71    HA   SER  -9           HA       SER  -9   7.304   2.799  -6.137
   72    HB2  SER  -9           HB2      SER  -9   7.081   0.940  -7.877
   73    HB3  SER  -9           HB1      SER  -9   7.661   2.499  -8.463
   74    HG   SER  -9           HG       SER  -9   8.998   0.067  -8.218
   75    H    GLY  -8           HN       GLY  -8   9.385   1.785  -4.226
   76    HA2  GLY  -8           HA2      GLY  -8   8.571  -1.006  -3.908
   77    HA3  GLY  -8           HA1      GLY  -8   9.836  -0.185  -3.004
   78    H    LEU  -7           HN       LEU  -7   8.812  -1.162  -1.108
   79    HA   LEU  -7           HA       LEU  -7   6.290   0.067  -0.315
   80    HB2  LEU  -7           HB2      LEU  -7   8.030  -1.757   1.357
   81    HB3  LEU  -7           HB1      LEU  -7   6.361  -1.311   1.652
   82    HG   LEU  -7           HG       LEU  -7   6.279  -3.526   0.907
   83   HD11  LEU  -7          HD11      LEU  -7   4.605  -2.145  -0.152
   84   HD12  LEU  -7          HD12      LEU  -7   5.118  -3.435  -1.238
   85   HD13  LEU  -7          HD13      LEU  -7   5.706  -1.791  -1.482
   86   HD21  LEU  -7          HD21      LEU  -7   7.386  -4.374  -1.084
   87   HD22  LEU  -7          HD22      LEU  -7   8.557  -3.701   0.050
   88   HD23  LEU  -7          HD23      LEU  -7   8.091  -2.785  -1.383
   89    H    GLU  -6           HN       GLU  -6   7.267   2.205  -0.465
   90    HA   GLU  -6           HA       GLU  -6   9.108   2.815   1.746
   91    HB2  GLU  -6           HB2      GLU  -6   9.221   3.971  -1.040
   92    HB3  GLU  -6           HB1      GLU  -6  10.351   4.281   0.272
   93    HG2  GLU  -6           HG2      GLU  -6  11.083   1.977   0.235
   94    HG3  GLU  -6           HG1      GLU  -6   9.889   1.592  -1.001
   95    H    VAL  -5           HN       VAL  -5   6.826   3.307   2.598
   96    HA   VAL  -5           HA       VAL  -5   6.218   6.145   2.070
   97    HB   VAL  -5           HB       VAL  -5   4.263   4.743   1.685
   98   HG11  VAL  -5          HG11      VAL  -5   4.883   2.796   2.919
   99   HG12  VAL  -5          HG12      VAL  -5   3.326   3.372   3.505
  100   HG13  VAL  -5          HG13      VAL  -5   4.782   3.675   4.443
  101   HG21  VAL  -5          HG21      VAL  -5   3.888   6.914   2.774
  102   HG22  VAL  -5          HG22      VAL  -5   3.916   6.105   4.343
  103   HG23  VAL  -5          HG23      VAL  -5   2.661   5.707   3.161
  104    H    LEU  -4           HN       LEU  -4   7.271   7.400   3.517
  105    HA   LEU  -4           HA       LEU  -4   8.176   6.141   5.989
  106    HB2  LEU  -4           HB2      LEU  -4   9.013   8.749   4.724
  107    HB3  LEU  -4           HB1      LEU  -4   9.756   8.008   6.128
  108    HG   LEU  -4           HG       LEU  -4   9.741   6.852   3.339
  109   HD11  LEU  -4          HD11      LEU  -4  11.967   8.096   4.945
  110   HD12  LEU  -4          HD12      LEU  -4  11.172   8.816   3.545
  111   HD13  LEU  -4          HD13      LEU  -4  12.128   7.346   3.356
  112   HD21  LEU  -4          HD21      LEU  -4  11.311   5.207   4.255
  113   HD22  LEU  -4          HD22      LEU  -4   9.730   5.104   5.027
  114   HD23  LEU  -4          HD23      LEU  -4  11.071   5.882   5.867
  115    H    PHE  -3           HN       PHE  -3   5.502   6.735   6.126
  116    HA   PHE  -3           HA       PHE  -3   5.371   8.139   8.537
  117    HB2  PHE  -3           HB2      PHE  -3   4.091  10.130   7.927
  118    HB3  PHE  -3           HB1      PHE  -3   5.678  10.156   7.176
  119    HD1  PHE  -3           HD1      PHE  -3   5.693   9.095   4.714
  120    HD2  PHE  -3           HD2      PHE  -3   2.308  10.776   6.667
  121    HE1  PHE  -3           HE1      PHE  -3   4.655   9.530   2.528
  122    HE2  PHE  -3           HE2      PHE  -3   1.262  11.213   4.486
  123    HZ   PHE  -3           HZ       PHE  -3   2.437  10.590   2.411
  124    H    GLN  -2           HN       GLN  -2   2.973   8.729   9.039
  125    HA   GLN  -2           HA       GLN  -2   0.757   8.225   9.110
  126    HB2  GLN  -2           HB2      GLN  -2   0.486   7.655   6.811
  127    HB3  GLN  -2           HB1      GLN  -2   1.352   6.136   7.020
  128    HG2  GLN  -2           HG2      GLN  -2  -1.024   5.738   6.824
  129    HG3  GLN  -2           HG1      GLN  -2  -0.458   5.293   8.430
  130   HE21  GLN  -2          HE21      GLN  -2  -3.145   5.932   7.524
  131   HE22  GLN  -2          HE22      GLN  -2  -3.679   7.262   8.495
  132    H    GLY  -1           HN       GLY  -1   2.324   4.977   8.783
  133    HA2  GLY  -1           HA2      GLY  -1   2.126   4.551  11.602
  134    HA3  GLY  -1           HA1      GLY  -1   0.788   3.803  10.752
  135    HA   PRO   0           HA       PRO   0   4.268   0.789  10.728
  136    HB2  PRO   0           HB2      PRO   0   3.351  -0.977  12.488
  137    HB3  PRO   0           HB1      PRO   0   3.984   0.579  13.032
  138    HG2  PRO   0           HG2      PRO   0   1.160  -0.341  12.805
  139    HG3  PRO   0           HG1      PRO   0   1.901   0.733  14.004
  140    HD2  PRO   0           HD2      PRO   0   0.449   1.498  11.692
  141    HD3  PRO   0           HD1      PRO   0   1.374   2.558  12.772
  142    H    ARG   1           HN       ARG   1   3.205  -1.948  11.248
  143    HA   ARG   1           HA       ARG   1   1.684  -2.364   8.759
  144    HB2  ARG   1           HB2      ARG   1   2.749  -4.564   8.612
  145    HB3  ARG   1           HB1      ARG   1   3.958  -3.290   8.662
  146    HG2  ARG   1           HG2      ARG   1   4.291  -3.742  11.060
  147    HG3  ARG   1           HG1      ARG   1   3.138  -5.071  10.945
  148    HD2  ARG   1           HD2      ARG   1   5.426  -5.894  10.815
  149    HD3  ARG   1           HD1      ARG   1   4.570  -6.170   9.299
  150    HE   ARG   1           HE       ARG   1   5.876  -3.739   9.045
  151   HH11  ARG   1          HH11      ARG   1   6.748  -7.096   9.528
  152   HH12  ARG   1          HH12      ARG   1   8.278  -6.941   8.733
  153   HH21  ARG   1          HH21      ARG   1   7.873  -3.535   7.974
  154   HH22  ARG   1          HH22      ARG   1   8.921  -4.911   7.843
  155    H    ARG   2           HN       ARG   2   0.932  -4.990   9.127
  156    HA   ARG   2           HA       ARG   2  -0.385  -5.247  11.692
  157    HB2  ARG   2           HB2      ARG   2  -1.873  -3.744  10.221
  158    HB3  ARG   2           HB1      ARG   2  -2.136  -5.172   9.239
  159    HG2  ARG   2           HG2      ARG   2  -3.140  -6.330  11.071
  160    HG3  ARG   2           HG1      ARG   2  -2.755  -4.990  12.137
  161    HD2  ARG   2           HD2      ARG   2  -4.572  -4.826   9.750
  162    HD3  ARG   2           HD1      ARG   2  -5.111  -4.976  11.420
  163    HE   ARG   2           HE       ARG   2  -3.393  -2.706  10.822
  164   HH11  ARG   2          HH11      ARG   2  -6.655  -3.908  11.215
  165   HH12  ARG   2          HH12      ARG   2  -7.333  -2.341  11.516
  166   HH21  ARG   2          HH21      ARG   2  -4.277  -0.642  11.200
  167   HH22  ARG   2          HH22      ARG   2  -5.978  -0.479  11.508
  168    H    ALA   3           HN       ALA   3   1.448  -6.565   9.628
  169    HA   ALA   3           HA       ALA   3   2.151  -8.667   9.175
  170    HB1  ALA   3           HB1      ALA   3   0.058  -9.519  11.159
  171    HB2  ALA   3           HB2      ALA   3   1.717  -9.054  11.535
  172    HB3  ALA   3           HB3      ALA   3   1.401 -10.499  10.574
  173    H    GLY   4           HN       GLY   4  -0.956 -10.130   9.756
  174    HA2  GLY   4           HA2      GLY   4  -0.955 -10.902   6.902
  175    HA3  GLY   4           HA1      GLY   4  -1.544 -11.892   8.221
  176    H    THR   5           HN       THR   5  -2.248  -8.662   6.795
  177    HA   THR   5           HA       THR   5  -5.087  -9.172   7.388
  178    HB   THR   5           HB       THR   5  -3.994  -6.452   6.710
  179    HG1  THR   5           HG1      THR   5  -3.337  -8.025   8.895
  180   HG21  THR   5          HG21      THR   5  -6.420  -6.651   7.047
  181   HG22  THR   5          HG22      THR   5  -5.707  -5.774   8.398
  182   HG23  THR   5          HG23      THR   5  -6.162  -7.454   8.597
  183    H    CYS   6           HN       CYS   6  -6.406  -7.541   5.724
  184    HA   CYS   6           HA       CYS   6  -5.379  -8.031   3.003
  185    HB2  CYS   6           HB2      CYS   6  -7.806  -8.162   2.332
  186    HB3  CYS   6           HB1      CYS   6  -7.229  -9.468   3.338
  187    HG   CYS   6           HG       CYS   6  -8.890  -9.164   5.287
  188    H    CYS   7           HN       CYS   7  -5.881  -6.430   1.399
  189    HA   CYS   7           HA       CYS   7  -5.753  -3.812   2.605
  190    HB2  CYS   7           HB2      CYS   7  -4.309  -4.332   0.664
  191    HB3  CYS   7           HB1      CYS   7  -5.713  -4.518  -0.340
  192    H    ALA   8           HN       ALA   8  -7.379  -2.423   2.915
  193    HA   ALA   8           HA       ALA   8 -10.057  -2.791   2.209
  194    HB1  ALA   8           HB1      ALA   8  -9.284  -1.380   4.071
  195    HB2  ALA   8           HB2      ALA   8 -10.425  -0.551   3.011
  196    HB3  ALA   8           HB3      ALA   8  -8.701  -0.196   2.894
  197    H    ASN   9           HN       ASN   9  -8.230  -2.867  -0.084
  198    HA   ASN   9           HA       ASN   9  -9.736  -1.286  -1.931
  199    HB2  ASN   9           HB2      ASN   9  -8.147   0.408  -1.283
  200    HB3  ASN   9           HB1      ASN   9  -6.778  -0.728  -1.521
  201   HD21  ASN   9          HD21      ASN   9  -5.931  -0.951  -3.523
  202   HD22  ASN   9          HD22      ASN   9  -6.462  -0.127  -4.924
  203    H    CYS  10           HN       CYS  10  -6.934  -3.435  -1.426
  204    HA   CYS  10           HA       CYS  10  -7.377  -4.437  -4.153
  205    HB2  CYS  10           HB2      CYS  10  -4.785  -4.800  -2.630
  206    HB3  CYS  10           HB1      CYS  10  -5.102  -4.879  -4.386
  207    H    GLN  11           HN       GLN  11  -8.000  -5.308  -1.040
  208    HA   GLN  11           HA       GLN  11  -7.781  -7.119   0.312
  209    HB2  GLN  11           HB2      GLN  11  -9.313  -7.848  -2.090
  210    HB3  GLN  11           HB1      GLN  11  -8.785  -9.193  -1.093
  211    HG2  GLN  11           HG2      GLN  11  -9.767  -7.957   0.880
  212    HG3  GLN  11           HG1      GLN  11 -10.479  -6.847  -0.282
  213   HE21  GLN  11          HE21      GLN  11 -10.173 -10.356  -0.682
  214   HE22  GLN  11          HE22      GLN  11 -11.869 -10.664  -0.660
  215    H    THR  12           HN       THR  12  -5.384  -6.831  -1.655
  216    HA   THR  12           HA       THR  12  -4.232  -9.371  -1.798
  217    HB   THR  12           HB       THR  12  -3.298  -7.279  -2.912
  218    HG1  THR  12           HG1      THR  12  -1.219  -8.097  -2.789
  219   HG21  THR  12          HG21      THR  12  -2.158  -6.829  -0.139
  220   HG22  THR  12          HG22      THR  12  -3.314  -5.778  -0.957
  221   HG23  THR  12          HG23      THR  12  -1.677  -5.956  -1.593
  222    H    THR  13           HN       THR  13  -2.791 -10.362  -0.427
  223    HA   THR  13           HA       THR  13  -2.708  -9.350   2.322
  224    HB   THR  13           HB       THR  13  -2.873 -11.718   3.127
  225    HG1  THR  13           HG1      THR  13  -4.055 -12.472   0.706
  226   HG21  THR  13          HG21      THR  13  -5.270 -10.875   1.500
  227   HG22  THR  13          HG22      THR  13  -4.799 -10.086   3.007
  228   HG23  THR  13          HG23      THR  13  -5.261 -11.798   3.007
  229    H    THR  14           HN       THR  14  -0.942  -9.436  -0.093
  230    HA   THR  14           HA       THR  14   1.377 -10.656   1.236
  231    HB   THR  14           HB       THR  14   0.966 -11.769  -0.923
  232    HG1  THR  14           HG1      THR  14   3.299 -10.194  -0.610
  233   HG21  THR  14          HG21      THR  14   0.007 -10.242  -2.416
  234   HG22  THR  14          HG22      THR  14   1.655 -10.404  -3.010
  235   HG23  THR  14          HG23      THR  14   1.204  -8.996  -2.056
  236    H    THR  15           HN       THR  15   1.092  -8.598   2.413
  237    HA   THR  15           HA       THR  15   2.677  -6.490   1.150
  238    HB   THR  15           HB       THR  15   0.071  -5.744   2.542
  239    HG1  THR  15           HG1      THR  15   0.737  -6.180  -0.175
  240   HG21  THR  15          HG21      THR  15   1.817  -4.086   2.736
  241   HG22  THR  15          HG22      THR  15   0.599  -3.540   1.585
  242   HG23  THR  15          HG23      THR  15   2.138  -4.176   1.006
  243    H    THR  16           HN       THR  16   4.122  -5.623   2.507
  244    HA   THR  16           HA       THR  16   4.255  -6.815   5.152
  245    HB   THR  16           HB       THR  16   6.371  -5.088   3.876
  246    HG1  THR  16           HG1      THR  16   5.739  -7.830   3.400
  247   HG21  THR  16          HG21      THR  16   6.727  -5.739   6.210
  248   HG22  THR  16          HG22      THR  16   7.881  -6.549   5.150
  249   HG23  THR  16          HG23      THR  16   6.491  -7.433   5.780
  250    H    LEU  17           HN       LEU  17   3.128  -3.919   3.878
  251    HA   LEU  17           HA       LEU  17   3.650  -2.517   6.461
  252    HB2  LEU  17           HB2      LEU  17   5.248  -1.811   4.590
  253    HB3  LEU  17           HB1      LEU  17   3.867  -1.076   3.822
  254    HG   LEU  17           HG       LEU  17   3.592   0.518   5.534
  255   HD11  LEU  17          HD11      LEU  17   5.048   0.517   7.540
  256   HD12  LEU  17          HD12      LEU  17   5.664  -1.064   7.056
  257   HD13  LEU  17          HD13      LEU  17   3.961  -0.868   7.471
  258   HD21  LEU  17          HD21      LEU  17   6.534   0.159   4.950
  259   HD22  LEU  17          HD22      LEU  17   5.772   1.643   5.521
  260   HD23  LEU  17          HD23      LEU  17   5.363   0.998   3.929
  261    H    TRP  18           HN       TRP  18   1.541  -2.917   7.068
  262    HA   TRP  18           HA       TRP  18  -0.663  -2.084   5.442
  263    HB2  TRP  18           HB2      TRP  18  -0.625  -3.293   8.202
  264    HB3  TRP  18           HB1      TRP  18  -2.045  -2.995   7.276
  265    HD1  TRP  18           HD1      TRP  18   0.758  -5.478   7.616
  266    HE1  TRP  18           HE1      TRP  18   0.286  -7.455   6.113
  267    HE3  TRP  18           HE3      TRP  18  -3.168  -3.601   4.930
  268    HZ2  TRP  18           HZ2      TRP  18  -1.466  -8.198   4.104
  269    HZ3  TRP  18           HZ3      TRP  18  -4.240  -5.052   3.259
  270    HH2  TRP  18           HH2      TRP  18  -3.412  -7.269   2.812
  271    H    ARG  19           HN       ARG  19  -0.626   0.140   5.374
  272    HA   ARG  19           HA       ARG  19  -0.754   1.735   7.839
  273    HB2  ARG  19           HB2      ARG  19  -1.664   3.163   5.484
  274    HB3  ARG  19           HB1      ARG  19  -0.205   3.410   6.436
  275    HG2  ARG  19           HG2      ARG  19   0.619   1.308   5.090
  276    HG3  ARG  19           HG1      ARG  19  -0.602   1.843   3.949
  277    HD2  ARG  19           HD2      ARG  19   1.671   2.709   3.496
  278    HD3  ARG  19           HD1      ARG  19   0.457   3.961   3.703
  279    HE   ARG  19           HE       ARG  19   1.919   4.814   5.208
  280   HH11  ARG  19          HH11      ARG  19   1.915   1.333   5.828
  281   HH12  ARG  19          HH12      ARG  19   2.984   1.470   7.174
  282   HH21  ARG  19          HH21      ARG  19   3.374   4.922   6.932
  283   HH22  ARG  19          HH22      ARG  19   3.822   3.472   7.792
  284    H    ARG  20           HN       ARG  20  -2.649   3.297   8.062
  285    HA   ARG  20           HA       ARG  20  -5.175   1.887   7.550
  286    HB2  ARG  20           HB2      ARG  20  -5.995   2.677   9.529
  287    HB3  ARG  20           HB1      ARG  20  -4.303   2.789   9.936
  288    HG2  ARG  20           HG2      ARG  20  -4.469   5.235   9.105
  289    HG3  ARG  20           HG1      ARG  20  -6.204   4.985   9.227
  290    HD2  ARG  20           HD2      ARG  20  -5.893   4.246  11.543
  291    HD3  ARG  20           HD1      ARG  20  -4.184   4.642  11.421
  292    HE   ARG  20           HE       ARG  20  -6.265   6.694  11.029
  293   HH11  ARG  20          HH11      ARG  20  -3.361   5.550  12.625
  294   HH12  ARG  20          HH12      ARG  20  -3.085   7.038  13.468
  295   HH21  ARG  20          HH21      ARG  20  -5.902   8.656  12.144
  296   HH22  ARG  20          HH22      ARG  20  -4.537   8.800  13.205
  297    H    ASN  21           HN       ASN  21  -6.977   3.043   6.821
  298    HA   ASN  21           HA       ASN  21  -6.254   5.323   5.127
  299    HB2  ASN  21           HB2      ASN  21  -7.989   4.804   3.609
  300    HB3  ASN  21           HB1      ASN  21  -7.309   3.220   4.070
  301   HD21  ASN  21          HD21      ASN  21  -9.464   2.650   3.060
  302   HD22  ASN  21          HD22      ASN  21 -10.842   2.622   4.066
  303    H    ALA  22           HN       ALA  22  -8.899   6.460   4.737
  304    HA   ALA  22           HA       ALA  22  -8.775   8.335   6.790
  305    HB1  ALA  22           HB1      ALA  22 -11.221   7.820   5.132
  306    HB2  ALA  22           HB2      ALA  22  -9.785   8.619   4.509
  307    HB3  ALA  22           HB3      ALA  22 -10.685   9.342   5.839
  308    H    ASN  23           HN       ASN  23 -10.694   5.393   6.658
  309    HA   ASN  23           HA       ASN  23 -12.274   6.224   8.968
  310    HB2  ASN  23           HB2      ASN  23 -13.461   5.190   7.056
  311    HB3  ASN  23           HB1      ASN  23 -12.494   3.756   7.279
  312   HD21  ASN  23          HD21      ASN  23 -15.023   5.703   8.596
  313   HD22  ASN  23          HD22      ASN  23 -15.639   4.496   9.658
  314    H    GLY  24           HN       GLY  24  -9.470   4.878   8.170
  315    HA2  GLY  24           HA2      GLY  24  -7.834   4.013   9.572
  316    HA3  GLY  24           HA1      GLY  24  -9.078   3.643  10.760
  317    H    ASP  25           HN       ASP  25  -9.276   2.840   7.412
  318    HA   ASP  25           HA       ASP  25  -9.491   0.021   8.158
  319    HB2  ASP  25           HB2      ASP  25 -10.931   1.483   6.278
  320    HB3  ASP  25           HB1      ASP  25  -9.767   0.575   5.305
  321    HA   PRO  26           HA       PRO  26  -5.342  -0.848   7.199
  322    HB2  PRO  26           HB2      PRO  26  -5.691  -3.524   6.443
  323    HB3  PRO  26           HB1      PRO  26  -5.512  -2.920   8.121
  324    HG2  PRO  26           HG2      PRO  26  -7.956  -3.711   6.609
  325    HG3  PRO  26           HG1      PRO  26  -7.600  -3.853   8.352
  326    HD2  PRO  26           HD2      PRO  26  -9.259  -1.935   7.328
  327    HD3  PRO  26           HD1      PRO  26  -8.310  -1.697   8.798
  328    H    VAL  27           HN       VAL  27  -3.993  -0.676   5.479
  329    HA   VAL  27           HA       VAL  27  -5.048  -1.470   2.843
  330    HB   VAL  27           HB       VAL  27  -3.957   0.687   1.869
  331   HG11  VAL  27          HG11      VAL  27  -6.285   0.119   1.550
  332   HG12  VAL  27          HG12      VAL  27  -6.109   1.845   1.887
  333   HG13  VAL  27          HG13      VAL  27  -6.674   0.756   3.153
  334   HG21  VAL  27          HG21      VAL  27  -4.378   2.712   3.190
  335   HG22  VAL  27          HG22      VAL  27  -3.139   1.697   3.906
  336   HG23  VAL  27          HG23      VAL  27  -4.760   1.710   4.588
  337    H    CYS  28           HN       CYS  28  -3.513  -1.872   1.281
  338    HA   CYS  28           HA       CYS  28  -1.028  -2.813   2.260
  339    HB2  CYS  28           HB2      CYS  28  -0.837  -3.731   0.048
  340    HB3  CYS  28           HB1      CYS  28  -2.556  -3.631   0.313
  341    H    ASN  29           HN       ASN  29   1.148  -1.968   1.009
  342    HA   ASN  29           HA       ASN  29   1.533   0.540   2.083
  343    HB2  ASN  29           HB2      ASN  29   3.366  -1.100   1.506
  344    HB3  ASN  29           HB1      ASN  29   3.257  -0.532  -0.176
  345   HD21  ASN  29          HD21      ASN  29   2.706   2.205   0.439
  346   HD22  ASN  29          HD22      ASN  29   4.160   2.866   1.020
  347    H    ALA  30           HN       ALA  30   1.141  -0.227  -1.377
  348    HA   ALA  30           HA       ALA  30   1.483   2.279  -2.405
  349    HB1  ALA  30           HB1      ALA  30  -0.495   0.261  -3.396
  350    HB2  ALA  30           HB2      ALA  30   1.222   0.312  -3.801
  351    HB3  ALA  30           HB3      ALA  30   0.157   1.631  -4.293
  352    H    CYS  31           HN       CYS  31  -1.478   0.901  -1.070
  353    HA   CYS  31           HA       CYS  31  -3.121   3.103  -1.804
  354    HB2  CYS  31           HB2      CYS  31  -3.564   0.869   0.112
  355    HB3  CYS  31           HB1      CYS  31  -4.779   2.046  -0.314
  356    H    GLY  32           HN       GLY  32  -1.555   2.216   1.260
  357    HA2  GLY  32           HA2      GLY  32  -2.610   4.555   2.591
  358    HA3  GLY  32           HA1      GLY  32  -1.295   3.514   3.202
  359    H    LEU  33           HN       LEU  33   0.279   3.813   0.757
  360    HA   LEU  33           HA       LEU  33   1.650   6.255   1.329
  361    HB2  LEU  33           HB2      LEU  33   2.779   4.280   0.436
  362    HB3  LEU  33           HB1      LEU  33   1.869   4.405  -1.035
  363    HG   LEU  33           HG       LEU  33   3.439   6.792  -0.410
  364   HD11  LEU  33          HD11      LEU  33   5.177   5.414   0.288
  365   HD12  LEU  33          HD12      LEU  33   5.467   5.554  -1.443
  366   HD13  LEU  33          HD13      LEU  33   4.699   4.107  -0.791
  367   HD21  LEU  33          HD21      LEU  33   3.126   5.014  -2.804
  368   HD22  LEU  33          HD22      LEU  33   3.950   6.573  -2.792
  369   HD23  LEU  33          HD23      LEU  33   2.214   6.487  -2.487
  370    H    TYR  34           HN       TYR  34  -0.640   5.118  -1.130
  371    HA   TYR  34           HA       TYR  34  -0.283   7.356  -2.755
  372    HB2  TYR  34           HB2      TYR  34  -1.094   5.147  -3.581
  373    HB3  TYR  34           HB1      TYR  34  -2.598   5.421  -2.717
  374    HD1  TYR  34           HD1      TYR  34  -4.231   6.983  -3.555
  375    HD2  TYR  34           HD2      TYR  34  -0.564   6.311  -5.573
  376    HE1  TYR  34           HE1      TYR  34  -5.159   8.037  -5.583
  377    HE2  TYR  34           HE2      TYR  34  -1.461   7.371  -7.593
  378    HH   TYR  34           HH       TYR  34  -3.673   7.830  -8.614
  379    H    TYR  35           HN       TYR  35  -2.914   6.380  -0.604
  380    HA   TYR  35           HA       TYR  35  -4.507   8.650  -1.040
  381    HB2  TYR  35           HB2      TYR  35  -5.343   6.604   0.083
  382    HB3  TYR  35           HB1      TYR  35  -4.320   6.965   1.463
  383    HD1  TYR  35           HD1      TYR  35  -7.233   8.080  -0.418
  384    HD2  TYR  35           HD2      TYR  35  -4.927   8.546   3.091
  385    HE1  TYR  35           HE1      TYR  35  -8.969   9.526   0.481
  386    HE2  TYR  35           HE2      TYR  35  -6.652   9.967   4.050
  387    HH   TYR  35           HH       TYR  35  -9.778  10.223   2.772
  388    H    LYS  36           HN       LYS  36  -1.629   8.241   0.801
  389    HA   LYS  36           HA       LYS  36  -2.119  10.488   2.533
  390    HB2  LYS  36           HB2      LYS  36   0.118   8.594   2.034
  391    HB3  LYS  36           HB1      LYS  36   0.459  10.113   2.854
  392    HG2  LYS  36           HG2      LYS  36  -0.140   8.020   4.237
  393    HG3  LYS  36           HG1      LYS  36  -0.756   9.585   4.698
  394    HD2  LYS  36           HD2      LYS  36  -2.812   8.906   3.260
  395    HD3  LYS  36           HD1      LYS  36  -2.187   7.272   3.471
  396    HE2  LYS  36           HE2      LYS  36  -3.840   7.764   5.170
  397    HE3  LYS  36           HE1      LYS  36  -2.247   7.579   5.904
  398    HZ1  LYS  36           HZ1      LYS  36  -2.048   9.994   5.970
  399    HZ2  LYS  36           HZ2      LYS  36  -3.409   9.475   6.827
  400    HZ3  LYS  36           HZ3      LYS  36  -3.588  10.158   5.292
  401    H    LEU  37           HN       LEU  37  -0.936   9.871  -0.498
  402    HA   LEU  37           HA       LEU  37   0.578  12.350  -0.725
  403    HB2  LEU  37           HB2      LEU  37   0.373   9.848  -2.296
  404    HB3  LEU  37           HB1      LEU  37   0.610  11.314  -3.231
  405    HG   LEU  37           HG       LEU  37   2.720  11.660  -2.356
  406   HD11  LEU  37          HD11      LEU  37   2.191   9.629  -0.196
  407   HD12  LEU  37          HD12      LEU  37   2.167  11.379   0.031
  408   HD13  LEU  37          HD13      LEU  37   3.667  10.567  -0.413
  409   HD21  LEU  37          HD21      LEU  37   2.602   9.719  -3.862
  410   HD22  LEU  37          HD22      LEU  37   2.430   8.663  -2.455
  411   HD23  LEU  37          HD23      LEU  37   3.919   9.580  -2.696
  412    H    HIS  38           HN       HIS  38  -2.363  10.826  -1.825
  413    HA   HIS  38           HA       HIS  38  -2.892  13.135  -3.572
  414    HB2  HIS  38           HB2      HIS  38  -3.490  10.217  -4.017
  415    HB3  HIS  38           HB1      HIS  38  -3.975  11.509  -5.099
  416    HD1  HIS  38           HD1      HIS  38  -1.584  13.141  -5.575
  417    HD2  HIS  38           HD2      HIS  38  -1.265   9.044  -4.967
  418    HE1  HIS  38           HE1      HIS  38   0.705  12.506  -6.397
  419    HE2  HIS  38           HE2      HIS  38   0.783   9.997  -6.220
  420    H    ASN  39           HN       ASN  39  -4.092  11.567  -0.887
  421    HA   ASN  39           HA       ASN  39  -6.040  11.813   0.341
  422    HB2  ASN  39           HB2      ASN  39  -6.736  13.731  -1.837
  423    HB3  ASN  39           HB1      ASN  39  -7.746  13.451  -0.462
  424   HD21  ASN  39          HD21      ASN  39  -5.521  13.345   1.532
  425   HD22  ASN  39          HD22      ASN  39  -4.928  14.960   1.635
  426    H    VAL  40           HN       VAL  40  -5.757  10.038  -2.132
  427    HA   VAL  40           HA       VAL  40  -8.534   9.240  -2.070
  428    HB   VAL  40           HB       VAL  40  -8.288   8.667  -4.640
  429   HG11  VAL  40          HG11      VAL  40 -10.104   9.926  -3.666
  430   HG12  VAL  40          HG12      VAL  40  -9.553  10.690  -5.156
  431   HG13  VAL  40          HG13      VAL  40  -9.092  11.369  -3.595
  432   HG21  VAL  40          HG21      VAL  40  -6.031   9.730  -4.799
  433   HG22  VAL  40          HG22      VAL  40  -6.804  11.286  -4.494
  434   HG23  VAL  40          HG23      VAL  40  -7.218  10.352  -5.933
  435    H    ASN  41           HN       ASN  41  -8.845   7.051  -2.973
  436    HA   ASN  41           HA       ASN  41  -6.832   5.342  -1.927
  437    HB2  ASN  41           HB2      ASN  41  -9.434   4.850  -3.342
  438    HB3  ASN  41           HB1      ASN  41  -8.305   3.540  -3.092
  439   HD21  ASN  41          HD21      ASN  41 -10.482   5.742  -1.599
  440   HD22  ASN  41          HD22      ASN  41 -10.504   5.006  -0.037
  441    H    ARG  42           HN       ARG  42  -6.001   3.456  -3.272
  442    HA   ARG  42           HA       ARG  42  -4.599   4.696  -5.490
  443    HB2  ARG  42           HB2      ARG  42  -3.232   3.593  -3.859
  444    HB3  ARG  42           HB1      ARG  42  -4.138   2.126  -3.987
  445    HG2  ARG  42           HG2      ARG  42  -1.995   1.934  -5.095
  446    HG3  ARG  42           HG1      ARG  42  -3.328   1.762  -6.233
  447    HD2  ARG  42           HD2      ARG  42  -2.996   3.993  -7.047
  448    HD3  ARG  42           HD1      ARG  42  -1.801   4.321  -5.792
  449    HE   ARG  42           HE       ARG  42  -0.689   2.241  -7.037
  450   HH11  ARG  42          HH11      ARG  42  -2.134   5.143  -8.366
  451   HH12  ARG  42          HH12      ARG  42  -1.083   5.178  -9.740
  452   HH21  ARG  42          HH21      ARG  42   0.682   2.292  -8.847
  453   HH22  ARG  42          HH22      ARG  42   0.507   3.559 -10.021
  454    HA   PRO  43           HA       PRO  43  -7.312   2.466  -8.421
  455    HB2  PRO  43           HB2      PRO  43  -5.318   3.862 -10.163
  456    HB3  PRO  43           HB1      PRO  43  -7.070   3.711 -10.363
  457    HG2  PRO  43           HG2      PRO  43  -6.082   5.998  -9.522
  458    HG3  PRO  43           HG1      PRO  43  -7.519   5.315  -8.728
  459    HD2  PRO  43           HD2      PRO  43  -4.656   5.282  -7.810
  460    HD3  PRO  43           HD1      PRO  43  -6.159   5.632  -6.871
  461    H    LEU  44           HN       LEU  44  -6.832   0.411  -8.739
  462    HA   LEU  44           HA       LEU  44  -4.191  -0.515  -9.330
  463    HB2  LEU  44           HB2      LEU  44  -4.593   0.172  -6.750
  464    HB3  LEU  44           HB1      LEU  44  -5.132  -1.491  -6.707
  465    HG   LEU  44           HG       LEU  44  -2.966  -2.299  -7.322
  466   HD11  LEU  44          HD11      LEU  44  -1.079  -0.743  -7.722
  467   HD12  LEU  44          HD12      LEU  44  -2.228   0.593  -7.754
  468   HD13  LEU  44          HD13      LEU  44  -2.312  -0.672  -8.977
  469   HD21  LEU  44          HD21      LEU  44  -2.889  -0.113  -5.240
  470   HD22  LEU  44          HD22      LEU  44  -1.566  -1.260  -5.503
  471   HD23  LEU  44          HD23      LEU  44  -3.151  -1.848  -4.995
  472    H    THR  45           HN       THR  45  -6.845  -1.804  -7.413
  473    HA   THR  45           HA       THR  45  -7.026  -4.078  -9.239
  474    HB   THR  45           HB       THR  45  -8.752  -4.769  -7.329
  475    HG1  THR  45           HG1      THR  45  -8.423  -3.749  -5.471
  476   HG21  THR  45          HG21      THR  45  -6.900  -5.942  -6.182
  477   HG22  THR  45          HG22      THR  45  -5.740  -4.974  -7.090
  478   HG23  THR  45          HG23      THR  45  -6.808  -6.095  -7.934
  479    H    MET  46           HN       MET  46  -9.792  -3.421  -7.419
  480    HA   MET  46           HA       MET  46 -11.180  -2.357  -9.786
  481    HB2  MET  46           HB2      MET  46 -11.524  -4.860  -9.059
  482    HB3  MET  46           HB1      MET  46 -12.536  -4.160  -7.806
  483    HG2  MET  46           HG2      MET  46 -13.983  -3.176  -9.447
  484    HG3  MET  46           HG1      MET  46 -12.916  -3.694 -10.750
  485    HE1  MET  46           HE1      MET  46 -16.023  -5.954 -11.333
  486    HE2  MET  46           HE2      MET  46 -14.933  -4.747 -12.012
  487    HE3  MET  46           HE3      MET  46 -16.061  -4.297 -10.733
  488    H    LYS  47           HN       LYS  47 -13.596  -1.723  -8.787
  489    HA   LYS  47           HA       LYS  47 -13.090   0.453  -7.010
  490    HB2  LYS  47           HB2      LYS  47 -15.667  -0.691  -8.094
  491    HB3  LYS  47           HB1      LYS  47 -15.577   0.759  -7.108
  492    HG2  LYS  47           HG2      LYS  47 -14.205   1.841  -8.812
  493    HG3  LYS  47           HG1      LYS  47 -14.280   0.380  -9.799
  494    HD2  LYS  47           HD2      LYS  47 -15.888   2.028 -10.589
  495    HD3  LYS  47           HD1      LYS  47 -16.719   0.615  -9.945
  496    HE2  LYS  47           HE2      LYS  47 -17.082   1.826  -7.827
  497    HE3  LYS  47           HE1      LYS  47 -16.305   3.245  -8.525
  498    HZ1  LYS  47           HZ1      LYS  47 -18.772   1.960  -9.570
  499    HZ2  LYS  47           HZ2      LYS  47 -18.047   3.365 -10.174
  500    HZ3  LYS  47           HZ3      LYS  47 -18.728   3.365  -8.626
  501    H    LYS  48           HN       LYS  48 -12.141  -1.056  -5.409
  502    HA   LYS  48           HA       LYS  48 -12.115  -2.154  -3.432
  503    HB2  LYS  48           HB2      LYS  48 -14.857  -0.933  -3.088
  504    HB3  LYS  48           HB1      LYS  48 -13.868  -1.615  -1.804
  505    HG2  LYS  48           HG2      LYS  48 -13.348   0.864  -3.419
  506    HG3  LYS  48           HG1      LYS  48 -13.634   0.732  -1.683
  507    HD2  LYS  48           HD2      LYS  48 -11.535  -0.606  -1.519
  508    HD3  LYS  48           HD1      LYS  48 -11.233  -0.243  -3.220
  509    HE2  LYS  48           HE2      LYS  48  -9.983   1.319  -1.945
  510    HE3  LYS  48           HE1      LYS  48 -11.362   2.189  -2.613
  511    HZ1  LYS  48           HZ1      LYS  48 -11.278   1.066   0.130
  512    HZ2  LYS  48           HZ2      LYS  48 -12.470   2.077  -0.522
  513    HZ3  LYS  48           HZ3      LYS  48 -10.913   2.676  -0.247
  514    H    GLU  49           HN       GLU  49 -12.116  -4.202  -4.481
  515    HA   GLU  49           HA       GLU  49 -14.644  -5.662  -4.164
  516    HB2  GLU  49           HB2      GLU  49 -13.911  -5.435  -6.533
  517    HB3  GLU  49           HB1      GLU  49 -12.411  -6.252  -6.119
  518    HG2  GLU  49           HG2      GLU  49 -13.933  -7.785  -7.186
  519    HG3  GLU  49           HG1      GLU  49 -13.680  -8.255  -5.507
  Start of MODEL   18
    1    H1   MET -18           HT1      MET -18  19.217   6.884  -3.642
    2    H2   MET -18           HT2      MET -18  20.234   5.887  -2.729
    3    H3   MET -18           HT3      MET -18  18.596   5.507  -2.881
    4    HA   MET -18           HA       MET -18  18.883   5.184  -5.264
    5    HB2  MET -18           HB2      MET -18  21.804   5.551  -4.563
    6    HB3  MET -18           HB1      MET -18  21.220   4.911  -6.089
    7    HG2  MET -18           HG2      MET -18  20.074   7.037  -6.523
    8    HG3  MET -18           HG1      MET -18  20.727   7.675  -5.013
    9    HE1  MET -18           HE1      MET -18  21.092   9.117  -7.811
   10    HE2  MET -18           HE2      MET -18  22.796   9.567  -7.769
   11    HE3  MET -18           HE3      MET -18  21.800   9.755  -6.327
   12    H    ALA -17           HN       ALA -17  18.342   3.127  -5.369
   13    HA   ALA -17           HA       ALA -17  19.942   1.180  -3.847
   14    HB1  ALA -17           HB1      ALA -17  17.038   0.947  -4.617
   15    HB2  ALA -17           HB2      ALA -17  17.634   1.387  -3.018
   16    HB3  ALA -17           HB3      ALA -17  17.969  -0.215  -3.675
   17    H    HIS -16           HN       HIS -16  21.369   0.572  -5.374
   18    HA   HIS -16           HA       HIS -16  20.556   0.125  -8.107
   19    HB2  HIS -16           HB2      HIS -16  22.753   1.124  -7.565
   20    HB3  HIS -16           HB1      HIS -16  23.220  -0.362  -6.747
   21    HD1  HIS -16           HD1      HIS -16  24.505  -1.951  -8.143
   22    HD2  HIS -16           HD2      HIS -16  22.181   0.610 -10.444
   23    HE1  HIS -16           HE1      HIS -16  25.085  -2.475 -10.531
   24    HE2  HIS -16           HE2      HIS -16  23.814  -0.774 -11.887
   25    H    HIS -15           HN       HIS -15  21.161  -1.736  -5.243
   26    HA   HIS -15           HA       HIS -15  21.218  -4.239  -6.736
   27    HB2  HIS -15           HB2      HIS -15  22.721  -3.680  -4.707
   28    HB3  HIS -15           HB1      HIS -15  21.287  -3.999  -3.737
   29    HD1  HIS -15           HD1      HIS -15  20.381  -6.487  -3.762
   30    HD2  HIS -15           HD2      HIS -15  24.024  -5.897  -5.672
   31    HE1  HIS -15           HE1      HIS -15  21.362  -8.780  -4.074
   32    HE2  HIS -15           HE2      HIS -15  23.481  -8.403  -5.379
   33    H    HIS -14           HN       HIS -14  19.338  -2.739  -4.117
   34    HA   HIS -14           HA       HIS -14  17.255  -4.720  -4.323
   35    HB2  HIS -14           HB2      HIS -14  17.613  -2.229  -2.680
   36    HB3  HIS -14           HB1      HIS -14  16.055  -3.043  -2.748
   37    HD1  HIS -14           HD1      HIS -14  18.931  -2.905  -0.702
   38    HD2  HIS -14           HD2      HIS -14  16.496  -5.986  -2.072
   39    HE1  HIS -14           HE1      HIS -14  19.303  -4.821   0.883
   40    HE2  HIS -14           HE2      HIS -14  17.823  -6.678   0.034
   41    H    HIS -13           HN       HIS -13  15.977  -4.714  -6.032
   42    HA   HIS -13           HA       HIS -13  15.337  -2.197  -7.365
   43    HB2  HIS -13           HB2      HIS -13  14.754  -5.054  -8.179
   44    HB3  HIS -13           HB1      HIS -13  14.417  -3.627  -9.155
   45    HD1  HIS -13           HD1      HIS -13  16.670  -6.185  -9.293
   46    HD2  HIS -13           HD2      HIS -13  17.196  -2.070  -9.057
   47    HE1  HIS -13           HE1      HIS -13  18.992  -5.746 -10.159
   48    HE2  HIS -13           HE2      HIS -13  19.327  -3.263  -9.901
   49    H    HIS -12           HN       HIS -12  14.136  -3.887  -4.885
   50    HA   HIS -12           HA       HIS -12  11.434  -2.816  -5.363
   51    HB2  HIS -12           HB2      HIS -12  12.272  -5.316  -3.892
   52    HB3  HIS -12           HB1      HIS -12  10.700  -4.566  -3.643
   53    HD1  HIS -12           HD1      HIS -12  12.535  -6.814  -5.908
   54    HD2  HIS -12           HD2      HIS -12   9.011  -4.615  -5.970
   55    HE1  HIS -12           HE1      HIS -12  11.191  -7.736  -7.820
   56    HE2  HIS -12           HE2      HIS -12   9.132  -6.289  -7.931
   57    H    HIS -11           HN       HIS -11  13.527  -1.271  -4.409
   58    HA   HIS -11           HA       HIS -11  13.184  -1.148  -1.502
   59    HB2  HIS -11           HB2      HIS -11  15.487  -1.096  -2.322
   60    HB3  HIS -11           HB1      HIS -11  15.122   0.302  -3.322
   61    HD1  HIS -11           HD1      HIS -11  15.517   2.542  -2.282
   62    HD2  HIS -11           HD2      HIS -11  15.299  -0.495   0.548
   63    HE1  HIS -11           HE1      HIS -11  16.130   3.610  -0.092
   64    HE2  HIS -11           HE2      HIS -11  15.764   1.805   1.624
   65    H    SER -10           HN       SER -10  13.540   1.371  -4.009
   66    HA   SER -10           HA       SER -10  11.718   3.025  -2.451
   67    HB2  SER -10           HB2      SER -10  13.525   3.720  -4.772
   68    HB3  SER -10           HB1      SER -10  12.522   4.874  -3.894
   69    HG   SER -10           HG       SER -10  13.678   4.340  -1.995
   70    H    SER  -9           HN       SER  -9  11.365   0.811  -4.741
   71    HA   SER  -9           HA       SER  -9   9.334   2.217  -6.283
   72    HB2  SER  -9           HB2      SER  -9   9.238  -0.081  -7.447
   73    HB3  SER  -9           HB1      SER  -9  10.714   0.868  -7.645
   74    HG   SER  -9           HG       SER  -9  11.523  -1.022  -7.030
   75    H    GLY  -8           HN       GLY  -8   9.150   1.408  -3.337
   76    HA2  GLY  -8           HA2      GLY  -8   6.519   0.170  -3.537
   77    HA3  GLY  -8           HA1      GLY  -8   7.736  -0.717  -2.638
   78    H    LEU  -7           HN       LEU  -7   8.078  -0.215  -0.549
   79    HA   LEU  -7           HA       LEU  -7   5.978   1.389   0.606
   80    HB2  LEU  -7           HB2      LEU  -7   7.038   0.401   2.775
   81    HB3  LEU  -7           HB1      LEU  -7   6.064  -0.592   1.713
   82    HG   LEU  -7           HG       LEU  -7   8.235  -1.423   0.694
   83   HD11  LEU  -7          HD11      LEU  -7   9.705   0.355   1.466
   84   HD12  LEU  -7          HD12      LEU  -7  10.251  -1.217   2.051
   85   HD13  LEU  -7          HD13      LEU  -7   9.409  -0.114   3.140
   86   HD21  LEU  -7          HD21      LEU  -7   6.912  -2.750   2.243
   87   HD22  LEU  -7          HD22      LEU  -7   7.718  -1.979   3.610
   88   HD23  LEU  -7          HD23      LEU  -7   8.636  -3.007   2.510
   89    H    GLU  -6           HN       GLU  -6   7.485   3.240  -0.479
   90    HA   GLU  -6           HA       GLU  -6   9.415   4.238   1.463
   91    HB2  GLU  -6           HB2      GLU  -6   8.533   5.307  -1.220
   92    HB3  GLU  -6           HB1      GLU  -6   9.754   6.062  -0.205
   93    HG2  GLU  -6           HG2      GLU  -6   9.943   3.255  -1.256
   94    HG3  GLU  -6           HG1      GLU  -6  10.650   4.663  -2.046
   95    H    VAL  -5           HN       VAL  -5   7.038   4.159   2.683
   96    HA   VAL  -5           HA       VAL  -5   6.470   7.007   3.058
   97    HB   VAL  -5           HB       VAL  -5   4.635   6.082   1.631
   98   HG11  VAL  -5          HG11      VAL  -5   4.025   4.345   4.000
   99   HG12  VAL  -5          HG12      VAL  -5   4.673   3.797   2.454
  100   HG13  VAL  -5          HG13      VAL  -5   3.056   4.499   2.533
  101   HG21  VAL  -5          HG21      VAL  -5   3.805   6.900   4.406
  102   HG22  VAL  -5          HG22      VAL  -5   2.759   6.901   2.986
  103   HG23  VAL  -5          HG23      VAL  -5   4.157   7.975   3.053
  104    H    LEU  -4           HN       LEU  -4   8.158   5.252   4.479
  105    HA   LEU  -4           HA       LEU  -4   6.799   4.145   6.752
  106    HB2  LEU  -4           HB2      LEU  -4   8.877   3.191   5.773
  107    HB3  LEU  -4           HB1      LEU  -4   9.753   4.605   6.322
  108    HG   LEU  -4           HG       LEU  -4   9.203   3.996   8.666
  109   HD11  LEU  -4          HD11      LEU  -4   7.166   2.729   8.262
  110   HD12  LEU  -4          HD12      LEU  -4   8.346   1.752   9.134
  111   HD13  LEU  -4          HD13      LEU  -4   8.089   1.493   7.408
  112   HD21  LEU  -4          HD21      LEU  -4  10.762   2.124   8.809
  113   HD22  LEU  -4          HD22      LEU  -4  11.332   3.342   7.666
  114   HD23  LEU  -4          HD23      LEU  -4  10.600   1.850   7.074
  115    H    PHE  -3           HN       PHE  -3   5.888   6.547   6.859
  116    HA   PHE  -3           HA       PHE  -3   6.974   7.621   9.303
  117    HB2  PHE  -3           HB2      PHE  -3   7.003   9.988   8.294
  118    HB3  PHE  -3           HB1      PHE  -3   8.355   8.931   7.912
  119    HD1  PHE  -3           HD1      PHE  -3   8.761   8.205   5.673
  120    HD2  PHE  -3           HD2      PHE  -3   5.289  10.476   6.603
  121    HE1  PHE  -3           HE1      PHE  -3   8.374   8.587   3.274
  122    HE2  PHE  -3           HE2      PHE  -3   4.891  10.859   4.206
  123    HZ   PHE  -3           HZ       PHE  -3   6.429   9.862   2.529
  124    H    GLN  -2           HN       GLN  -2   4.476   6.463   7.947
  125    HA   GLN  -2           HA       GLN  -2   2.561   8.357   9.082
  126    HB2  GLN  -2           HB2      GLN  -2   2.474   7.406   6.212
  127    HB3  GLN  -2           HB1      GLN  -2   1.079   8.092   7.029
  128    HG2  GLN  -2           HG2      GLN  -2   3.692   9.488   6.523
  129    HG3  GLN  -2           HG1      GLN  -2   2.195   9.727   5.627
  130   HE21  GLN  -2          HE21      GLN  -2   3.780  11.651   7.130
  131   HE22  GLN  -2          HE22      GLN  -2   2.724  12.310   8.328
  132    H    GLY  -1           HN       GLY  -1   3.475   5.711   9.914
  133    HA2  GLY  -1           HA2      GLY  -1   1.576   4.457  11.075
  134    HA3  GLY  -1           HA1      GLY  -1   1.017   4.138   9.446
  135    HA   PRO   0           HA       PRO   0   4.250   0.929  10.706
  136    HB2  PRO   0           HB2      PRO   0   2.654  -0.675  12.396
  137    HB3  PRO   0           HB1      PRO   0   3.947   0.415  12.891
  138    HG2  PRO   0           HG2      PRO   0   1.232   0.717  13.481
  139    HG3  PRO   0           HG1      PRO   0   2.473   1.968  13.634
  140    HD2  PRO   0           HD2      PRO   0   0.508   1.501  11.432
  141    HD3  PRO   0           HD1      PRO   0   1.104   3.030  12.113
  142    H    ARG   1           HN       ARG   1   3.075  -1.745  11.250
  143    HA   ARG   1           HA       ARG   1   1.725  -2.242   8.677
  144    HB2  ARG   1           HB2      ARG   1   2.887  -4.384   8.555
  145    HB3  ARG   1           HB1      ARG   1   4.046  -3.070   8.672
  146    HG2  ARG   1           HG2      ARG   1   4.343  -3.546  11.053
  147    HG3  ARG   1           HG1      ARG   1   3.184  -4.869  10.926
  148    HD2  ARG   1           HD2      ARG   1   5.447  -5.732  10.844
  149    HD3  ARG   1           HD1      ARG   1   4.650  -5.974   9.291
  150    HE   ARG   1           HE       ARG   1   6.026  -3.546   9.191
  151   HH11  ARG   1          HH11      ARG   1   6.732  -6.966   9.415
  152   HH12  ARG   1          HH12      ARG   1   8.268  -6.828   8.620
  153   HH21  ARG   1          HH21      ARG   1   8.033  -3.357   8.156
  154   HH22  ARG   1          HH22      ARG   1   9.012  -4.766   7.901
  155    H    ARG   2           HN       ARG   2   1.195  -4.981   9.137
  156    HA   ARG   2           HA       ARG   2  -0.188  -5.287  11.634
  157    HB2  ARG   2           HB2      ARG   2  -1.726  -3.846  10.114
  158    HB3  ARG   2           HB1      ARG   2  -1.969  -5.332   9.217
  159    HG2  ARG   2           HG2      ARG   2  -2.820  -6.427  11.191
  160    HG3  ARG   2           HG1      ARG   2  -2.539  -4.956  12.105
  161    HD2  ARG   2           HD2      ARG   2  -4.383  -5.205   9.748
  162    HD3  ARG   2           HD1      ARG   2  -4.890  -5.196  11.435
  163    HE   ARG   2           HE       ARG   2  -3.355  -2.883  10.666
  164   HH11  ARG   2          HH11      ARG   2  -6.551  -4.304  10.775
  165   HH12  ARG   2          HH12      ARG   2  -7.365  -2.774  10.800
  166   HH21  ARG   2          HH21      ARG   2  -4.431  -0.865  10.667
  167   HH22  ARG   2          HH22      ARG   2  -6.167  -0.821  10.734
  168    H    ALA   3           HN       ALA   3   1.410  -6.493   9.063
  169    HA   ALA   3           HA       ALA   3   2.244  -8.562   8.668
  170    HB1  ALA   3           HB1      ALA   3   1.841 -10.397  10.166
  171    HB2  ALA   3           HB2      ALA   3   0.472  -9.549  10.886
  172    HB3  ALA   3           HB3      ALA   3   2.104  -8.914  11.084
  173    H    GLY   4           HN       GLY   4  -0.816 -10.015   9.642
  174    HA2  GLY   4           HA2      GLY   4  -1.008 -11.016   6.862
  175    HA3  GLY   4           HA1      GLY   4  -1.514 -11.892   8.294
  176    H    THR   5           HN       THR   5  -2.252  -8.708   6.820
  177    HA   THR   5           HA       THR   5  -5.093  -9.243   7.375
  178    HB   THR   5           HB       THR   5  -4.013  -6.499   6.777
  179    HG1  THR   5           HG1      THR   5  -3.556  -8.068   9.079
  180   HG21  THR   5          HG21      THR   5  -5.757  -5.898   8.488
  181   HG22  THR   5          HG22      THR   5  -6.211  -7.588   8.584
  182   HG23  THR   5          HG23      THR   5  -6.435  -6.702   7.076
  183    H    CYS   6           HN       CYS   6  -6.358  -7.571   5.731
  184    HA   CYS   6           HA       CYS   6  -5.369  -8.140   3.005
  185    HB2  CYS   6           HB2      CYS   6  -8.249  -7.953   3.752
  186    HB3  CYS   6           HB1      CYS   6  -7.572  -8.700   2.329
  187    HG   CYS   6           HG       CYS   6  -6.326 -10.460   4.641
  188    H    CYS   7           HN       CYS   7  -5.950  -6.525   1.384
  189    HA   CYS   7           HA       CYS   7  -5.836  -3.900   2.612
  190    HB2  CYS   7           HB2      CYS   7  -4.338  -4.309   0.699
  191    HB3  CYS   7           HB1      CYS   7  -5.699  -4.586  -0.338
  192    H    ALA   8           HN       ALA   8  -7.467  -2.530   2.908
  193    HA   ALA   8           HA       ALA   8 -10.145  -2.940   2.245
  194    HB1  ALA   8           HB1      ALA   8  -8.811  -0.327   2.891
  195    HB2  ALA   8           HB2      ALA   8  -9.353  -1.513   4.087
  196    HB3  ALA   8           HB3      ALA   8 -10.526  -0.706   3.045
  197    H    ASN   9           HN       ASN   9  -8.359  -2.964  -0.107
  198    HA   ASN   9           HA       ASN   9  -9.890  -1.358  -1.901
  199    HB2  ASN   9           HB2      ASN   9  -8.406   0.382  -1.095
  200    HB3  ASN   9           HB1      ASN   9  -6.977  -0.652  -1.415
  201   HD21  ASN   9          HD21      ASN   9  -6.247  -0.878  -3.480
  202   HD22  ASN   9          HD22      ASN   9  -6.754   0.099  -4.793
  203    H    CYS  10           HN       CYS  10  -6.946  -3.342  -1.463
  204    HA   CYS  10           HA       CYS  10  -7.359  -4.290  -4.219
  205    HB2  CYS  10           HB2      CYS  10  -4.722  -4.543  -2.770
  206    HB3  CYS  10           HB1      CYS  10  -5.073  -4.545  -4.523
  207    H    GLN  11           HN       GLN  11  -7.948  -5.211  -1.200
  208    HA   GLN  11           HA       GLN  11  -7.854  -7.034   0.120
  209    HB2  GLN  11           HB2      GLN  11  -8.970  -7.889  -2.514
  210    HB3  GLN  11           HB1      GLN  11  -8.944  -8.993  -1.144
  211    HG2  GLN  11           HG2      GLN  11 -10.283  -7.490   0.157
  212    HG3  GLN  11           HG1      GLN  11 -10.181  -6.253  -1.091
  213   HE21  GLN  11          HE21      GLN  11 -10.545  -8.142  -3.270
  214   HE22  GLN  11          HE22      GLN  11 -12.215  -8.578  -3.248
  215    H    THR  12           HN       THR  12  -5.313  -6.819  -1.833
  216    HA   THR  12           HA       THR  12  -4.214  -9.390  -1.754
  217    HB   THR  12           HB       THR  12  -3.193  -7.389  -2.968
  218    HG1  THR  12           HG1      THR  12  -1.204  -8.335  -2.830
  219   HG21  THR  12          HG21      THR  12  -1.598  -6.017  -1.721
  220   HG22  THR  12          HG22      THR  12  -2.025  -6.846  -0.225
  221   HG23  THR  12          HG23      THR  12  -3.216  -5.818  -1.034
  222    H    THR  13           HN       THR  13  -2.894 -10.328  -0.266
  223    HA   THR  13           HA       THR  13  -3.036  -9.221   2.445
  224    HB   THR  13           HB       THR  13  -3.284 -11.590   3.257
  225    HG1  THR  13           HG1      THR  13  -3.097 -13.095   1.783
  226   HG21  THR  13          HG21      THR  13  -5.502 -10.607   1.453
  227   HG22  THR  13          HG22      THR  13  -5.186  -9.986   3.076
  228   HG23  THR  13          HG23      THR  13  -5.673 -11.672   2.848
  229    H    THR  14           HN       THR  14  -1.039  -9.232   0.298
  230    HA   THR  14           HA       THR  14   1.122 -10.456   1.840
  231    HB   THR  14           HB       THR  14   0.669 -11.985  -0.021
  232    HG1  THR  14           HG1      THR  14   3.097 -10.813  -0.778
  233   HG21  THR  14          HG21      THR  14   1.202  -9.578  -1.751
  234   HG22  THR  14          HG22      THR  14  -0.180 -10.680  -1.796
  235   HG23  THR  14          HG23      THR  14   1.400 -11.226  -2.342
  236    H    THR  15           HN       THR  15   0.984  -8.128   2.527
  237    HA   THR  15           HA       THR  15   3.015  -6.696   0.989
  238    HB   THR  15           HB       THR  15   0.811  -5.615   0.456
  239    HG1  THR  15           HG1      THR  15   2.871  -4.480   0.463
  240   HG21  THR  15          HG21      THR  15   0.322  -3.957   2.549
  241   HG22  THR  15          HG22      THR  15   0.704  -5.457   3.386
  242   HG23  THR  15          HG23      THR  15  -0.603  -5.413   2.199
  243    H    THR  16           HN       THR  16   4.436  -5.479   2.268
  244    HA   THR  16           HA       THR  16   4.672  -6.571   4.928
  245    HB   THR  16           HB       THR  16   6.572  -4.619   3.641
  246    HG1  THR  16           HG1      THR  16   6.153  -7.376   3.106
  247   HG21  THR  16          HG21      THR  16   8.243  -5.848   4.941
  248   HG22  THR  16          HG22      THR  16   6.985  -6.920   5.558
  249   HG23  THR  16          HG23      THR  16   6.978  -5.210   5.991
  250    H    LEU  17           HN       LEU  17   3.180  -3.825   3.692
  251    HA   LEU  17           HA       LEU  17   3.654  -2.373   6.255
  252    HB2  LEU  17           HB2      LEU  17   5.015  -1.568   4.089
  253    HB3  LEU  17           HB1      LEU  17   3.517  -0.732   3.786
  254    HG   LEU  17           HG       LEU  17   3.749   0.689   5.564
  255   HD11  LEU  17          HD11      LEU  17   5.578  -1.369   6.795
  256   HD12  LEU  17          HD12      LEU  17   3.981  -0.870   7.357
  257   HD13  LEU  17          HD13      LEU  17   5.341   0.247   7.456
  258   HD21  LEU  17          HD21      LEU  17   6.045   1.525   5.564
  259   HD22  LEU  17          HD22      LEU  17   5.518   1.105   3.929
  260   HD23  LEU  17          HD23      LEU  17   6.598   0.025   4.818
  261    H    TRP  18           HN       TRP  18   1.554  -2.982   6.871
  262    HA   TRP  18           HA       TRP  18  -0.696  -2.098   5.345
  263    HB2  TRP  18           HB2      TRP  18  -0.610  -3.256   8.129
  264    HB3  TRP  18           HB1      TRP  18  -2.045  -2.952   7.226
  265    HD1  TRP  18           HD1      TRP  18   0.616  -5.511   7.681
  266    HE1  TRP  18           HE1      TRP  18   0.114  -7.520   6.225
  267    HE3  TRP  18           HE3      TRP  18  -3.133  -3.562   4.795
  268    HZ2  TRP  18           HZ2      TRP  18  -1.587  -8.257   4.177
  269    HZ3  TRP  18           HZ3      TRP  18  -4.177  -4.994   3.097
  270    HH2  TRP  18           HH2      TRP  18  -3.427  -7.277   2.759
  271    H    ARG  19           HN       ARG  19  -0.586   0.137   5.255
  272    HA   ARG  19           HA       ARG  19  -0.730   1.712   7.747
  273    HB2  ARG  19           HB2      ARG  19  -1.516   3.147   5.311
  274    HB3  ARG  19           HB1      ARG  19  -0.189   3.455   6.427
  275    HG2  ARG  19           HG2      ARG  19   1.013   1.532   5.270
  276    HG3  ARG  19           HG1      ARG  19  -0.209   1.685   4.009
  277    HD2  ARG  19           HD2      ARG  19   1.833   2.913   3.476
  278    HD3  ARG  19           HD1      ARG  19   0.453   3.990   3.636
  279    HE   ARG  19           HE       ARG  19   1.679   5.095   5.176
  280   HH11  ARG  19          HH11      ARG  19   2.525   1.709   5.484
  281   HH12  ARG  19          HH12      ARG  19   3.600   1.974   6.815
  282   HH21  ARG  19          HH21      ARG  19   3.151   5.420   6.874
  283   HH22  ARG  19          HH22      ARG  19   3.957   4.067   7.601
  284    H    ARG  20           HN       ARG  20  -2.625   3.386   7.800
  285    HA   ARG  20           HA       ARG  20  -5.120   1.876   7.410
  286    HB2  ARG  20           HB2      ARG  20  -5.908   2.619   9.416
  287    HB3  ARG  20           HB1      ARG  20  -4.208   2.759   9.777
  288    HG2  ARG  20           HG2      ARG  20  -4.382   5.204   9.121
  289    HG3  ARG  20           HG1      ARG  20  -6.123   4.959   9.067
  290    HD2  ARG  20           HD2      ARG  20  -5.689   5.767  11.226
  291    HD3  ARG  20           HD1      ARG  20  -5.909   4.028  11.410
  292    HE   ARG  20           HE       ARG  20  -3.171   4.732  11.057
  293   HH11  ARG  20          HH11      ARG  20  -5.759   4.471  13.404
  294   HH12  ARG  20          HH12      ARG  20  -4.687   4.352  14.762
  295   HH21  ARG  20          HH21      ARG  20  -1.757   4.562  12.843
  296   HH22  ARG  20          HH22      ARG  20  -2.411   4.394  14.440
  297    H    ASN  21           HN       ASN  21  -6.988   2.947   6.717
  298    HA   ASN  21           HA       ASN  21  -6.395   5.202   4.942
  299    HB2  ASN  21           HB2      ASN  21  -8.200   4.619   3.536
  300    HB3  ASN  21           HB1      ASN  21  -7.488   3.054   4.003
  301   HD21  ASN  21          HD21      ASN  21  -9.745   2.564   3.065
  302   HD22  ASN  21          HD22      ASN  21 -11.027   2.490   4.206
  303    H    ALA  22           HN       ALA  22  -9.103   6.207   4.619
  304    HA   ALA  22           HA       ALA  22  -8.875   8.277   6.444
  305    HB1  ALA  22           HB1      ALA  22 -11.002   9.055   5.614
  306    HB2  ALA  22           HB2      ALA  22 -11.347   7.464   4.937
  307    HB3  ALA  22           HB3      ALA  22 -10.022   8.430   4.289
  308    H    ASN  23           HN       ASN  23 -10.848   5.341   6.742
  309    HA   ASN  23           HA       ASN  23 -12.053   6.437   9.178
  310    HB2  ASN  23           HB2      ASN  23 -13.393   5.209   7.290
  311    HB3  ASN  23           HB1      ASN  23 -12.758   3.783   8.071
  312   HD21  ASN  23          HD21      ASN  23 -14.953   6.373   8.283
  313   HD22  ASN  23          HD22      ASN  23 -15.750   5.849   9.719
  314    H    GLY  24           HN       GLY  24  -9.521   4.752   8.086
  315    HA2  GLY  24           HA2      GLY  24  -7.768   4.037   9.448
  316    HA3  GLY  24           HA1      GLY  24  -8.920   3.702  10.735
  317    H    ASP  25           HN       ASP  25  -9.275   2.730   7.421
  318    HA   ASP  25           HA       ASP  25  -9.388  -0.053   8.314
  319    HB2  ASP  25           HB2      ASP  25 -10.920   1.266   6.460
  320    HB3  ASP  25           HB1      ASP  25  -9.766   0.406   5.433
  321    HA   PRO  26           HA       PRO  26  -5.323  -1.014   7.200
  322    HB2  PRO  26           HB2      PRO  26  -5.699  -3.655   6.439
  323    HB3  PRO  26           HB1      PRO  26  -5.612  -3.076   8.137
  324    HG2  PRO  26           HG2      PRO  26  -8.010  -3.712   6.451
  325    HG3  PRO  26           HG1      PRO  26  -7.728  -4.033   8.185
  326    HD2  PRO  26           HD2      PRO  26  -9.280  -1.956   7.342
  327    HD3  PRO  26           HD1      PRO  26  -8.287  -1.861   8.801
  328    H    VAL  27           HN       VAL  27  -4.056  -0.774   5.457
  329    HA   VAL  27           HA       VAL  27  -5.161  -1.545   2.836
  330    HB   VAL  27           HB       VAL  27  -4.053   0.658   1.927
  331   HG11  VAL  27          HG11      VAL  27  -6.330   0.071   1.467
  332   HG12  VAL  27          HG12      VAL  27  -6.256   1.767   1.960
  333   HG13  VAL  27          HG13      VAL  27  -6.810   0.544   3.098
  334   HG21  VAL  27          HG21      VAL  27  -4.542   2.627   3.273
  335   HG22  VAL  27          HG22      VAL  27  -3.348   1.606   4.054
  336   HG23  VAL  27          HG23      VAL  27  -5.016   1.596   4.623
  337    H    CYS  28           HN       CYS  28  -3.639  -1.862   1.230
  338    HA   CYS  28           HA       CYS  28  -1.181  -2.908   2.155
  339    HB2  CYS  28           HB2      CYS  28  -0.939  -3.581  -0.148
  340    HB3  CYS  28           HB1      CYS  28  -2.645  -3.602   0.139
  341    H    ASN  29           HN       ASN  29   1.046  -1.983   1.126
  342    HA   ASN  29           HA       ASN  29   1.204   0.536   2.265
  343    HB2  ASN  29           HB2      ASN  29   3.178  -0.904   2.081
  344    HB3  ASN  29           HB1      ASN  29   3.265  -0.580   0.330
  345   HD21  ASN  29          HD21      ASN  29   3.653   1.736  -0.309
  346   HD22  ASN  29          HD22      ASN  29   4.336   2.809   0.823
  347    H    ALA  30           HN       ALA  30   1.130  -0.267  -1.179
  348    HA   ALA  30           HA       ALA  30   1.412   2.202  -2.297
  349    HB1  ALA  30           HB1      ALA  30  -0.600   0.166  -3.165
  350    HB2  ALA  30           HB2      ALA  30   1.098   0.221  -3.642
  351    HB3  ALA  30           HB3      ALA  30   0.002   1.522  -4.117
  352    H    CYS  31           HN       CYS  31  -1.562   0.909  -0.897
  353    HA   CYS  31           HA       CYS  31  -3.146   3.133  -1.657
  354    HB2  CYS  31           HB2      CYS  31  -3.615   0.942   0.270
  355    HB3  CYS  31           HB1      CYS  31  -4.774   2.209  -0.007
  356    H    GLY  32           HN       GLY  32  -1.611   2.292   1.435
  357    HA2  GLY  32           HA2      GLY  32  -2.567   4.727   2.647
  358    HA3  GLY  32           HA1      GLY  32  -1.302   3.657   3.313
  359    H    LEU  33           HN       LEU  33   0.276   3.848   0.787
  360    HA   LEU  33           HA       LEU  33   1.720   6.265   1.328
  361    HB2  LEU  33           HB2      LEU  33   2.760   4.203   0.393
  362    HB3  LEU  33           HB1      LEU  33   1.909   4.467  -1.097
  363    HG   LEU  33           HG       LEU  33   3.597   6.700  -0.197
  364   HD11  LEU  33          HD11      LEU  33   4.968   4.694   0.362
  365   HD12  LEU  33          HD12      LEU  33   5.649   5.670  -0.940
  366   HD13  LEU  33          HD13      LEU  33   4.803   4.168  -1.312
  367   HD21  LEU  33          HD21      LEU  33   3.234   5.243  -2.797
  368   HD22  LEU  33          HD22      LEU  33   4.086   6.771  -2.574
  369   HD23  LEU  33          HD23      LEU  33   2.346   6.681  -2.302
  370    H    TYR  34           HN       TYR  34  -0.565   5.156  -1.123
  371    HA   TYR  34           HA       TYR  34  -0.188   7.408  -2.724
  372    HB2  TYR  34           HB2      TYR  34  -0.886   5.233  -3.588
  373    HB3  TYR  34           HB1      TYR  34  -2.389   5.358  -2.692
  374    HD1  TYR  34           HD1      TYR  34  -4.121   6.859  -3.428
  375    HD2  TYR  34           HD2      TYR  34  -0.550   6.343  -5.663
  376    HE1  TYR  34           HE1      TYR  34  -5.177   7.980  -5.331
  377    HE2  TYR  34           HE2      TYR  34  -1.603   7.483  -7.593
  378    HH   TYR  34           HH       TYR  34  -4.522   9.209  -7.340
  379    H    TYR  35           HN       TYR  35  -2.866   6.414  -0.599
  380    HA   TYR  35           HA       TYR  35  -4.399   8.732  -0.967
  381    HB2  TYR  35           HB2      TYR  35  -5.162   6.662   0.252
  382    HB3  TYR  35           HB1      TYR  35  -4.215   7.209   1.620
  383    HD1  TYR  35           HD1      TYR  35  -7.369   7.356   0.064
  384    HD2  TYR  35           HD2      TYR  35  -4.746   9.559   2.548
  385    HE1  TYR  35           HE1      TYR  35  -9.250   8.695   0.827
  386    HE2  TYR  35           HE2      TYR  35  -6.610  10.899   3.337
  387    HH   TYR  35           HH       TYR  35  -9.871  10.085   2.748
  388    H    LYS  36           HN       LYS  36  -1.488   8.261   0.856
  389    HA   LYS  36           HA       LYS  36  -1.889  10.490   2.601
  390    HB2  LYS  36           HB2      LYS  36   0.326   8.634   1.945
  391    HB3  LYS  36           HB1      LYS  36   0.753  10.183   2.648
  392    HG2  LYS  36           HG2      LYS  36   0.372   8.160   4.174
  393    HG3  LYS  36           HG1      LYS  36  -0.217   9.728   4.646
  394    HD2  LYS  36           HD2      LYS  36  -2.475   9.065   3.812
  395    HD3  LYS  36           HD1      LYS  36  -1.829   7.447   3.519
  396    HE2  LYS  36           HE2      LYS  36  -1.310   7.192   5.874
  397    HE3  LYS  36           HE1      LYS  36  -1.854   8.834   6.196
  398    HZ1  LYS  36           HZ1      LYS  36  -4.086   8.159   5.471
  399    HZ2  LYS  36           HZ2      LYS  36  -3.552   7.276   6.809
  400    HZ3  LYS  36           HZ3      LYS  36  -3.542   6.568   5.277
  401    H    LEU  37           HN       LEU  37  -0.875   9.931  -0.522
  402    HA   LEU  37           HA       LEU  37   0.574  12.449  -0.767
  403    HB2  LEU  37           HB2      LEU  37   0.506   9.901  -2.292
  404    HB3  LEU  37           HB1      LEU  37   0.776  11.355  -3.226
  405    HG   LEU  37           HG       LEU  37   2.797  11.792  -2.160
  406   HD11  LEU  37          HD11      LEU  37   2.253   9.582  -0.205
  407   HD12  LEU  37          HD12      LEU  37   2.088  11.304   0.152
  408   HD13  LEU  37          HD13      LEU  37   3.668  10.629  -0.246
  409   HD21  LEU  37          HD21      LEU  37   2.993  10.034  -3.792
  410   HD22  LEU  37          HD22      LEU  37   2.560   8.820  -2.586
  411   HD23  LEU  37          HD23      LEU  37   4.085   9.697  -2.451
  412    H    HIS  38           HN       HIS  38  -2.297  10.777  -1.843
  413    HA   HIS  38           HA       HIS  38  -2.969  13.038  -3.601
  414    HB2  HIS  38           HB2      HIS  38  -3.429  10.094  -4.024
  415    HB3  HIS  38           HB1      HIS  38  -4.018  11.360  -5.094
  416    HD1  HIS  38           HD1      HIS  38  -1.775   9.071  -5.692
  417    HD2  HIS  38           HD2      HIS  38  -1.154  13.104  -4.966
  418    HE1  HIS  38           HE1      HIS  38   0.492   9.580  -6.636
  419    HE2  HIS  38           HE2      HIS  38   0.834  12.042  -6.237
  420    H    ASN  39           HN       ASN  39  -4.004  11.574  -0.828
  421    HA   ASN  39           HA       ASN  39  -5.940  11.739   0.410
  422    HB2  ASN  39           HB2      ASN  39  -5.735  14.029  -0.985
  423    HB3  ASN  39           HB1      ASN  39  -7.323  13.492  -1.495
  424   HD21  ASN  39          HD21      ASN  39  -7.754  12.159   1.188
  425   HD22  ASN  39          HD22      ASN  39  -8.107  13.468   2.256
  426    H    VAL  40           HN       VAL  40  -5.771   9.775  -1.798
  427    HA   VAL  40           HA       VAL  40  -8.542   8.992  -1.832
  428    HB   VAL  40           HB       VAL  40  -8.423   8.494  -4.361
  429   HG11  VAL  40          HG11      VAL  40  -9.384  10.673  -4.931
  430   HG12  VAL  40          HG12      VAL  40  -8.816  11.311  -3.389
  431   HG13  VAL  40          HG13      VAL  40 -10.028  10.030  -3.420
  432   HG21  VAL  40          HG21      VAL  40  -7.077   9.785  -5.746
  433   HG22  VAL  40          HG22      VAL  40  -5.990   9.315  -4.441
  434   HG23  VAL  40          HG23      VAL  40  -6.686  10.932  -4.458
  435    H    ASN  41           HN       ASN  41  -8.800   6.811  -2.831
  436    HA   ASN  41           HA       ASN  41  -6.782   5.093  -1.798
  437    HB2  ASN  41           HB2      ASN  41  -9.393   4.681  -3.186
  438    HB3  ASN  41           HB1      ASN  41  -8.257   3.350  -3.121
  439   HD21  ASN  41          HD21      ASN  41 -10.294   5.456  -1.294
  440   HD22  ASN  41          HD22      ASN  41 -10.268   4.554   0.179
  441    H    ARG  42           HN       ARG  42  -5.859   3.276  -3.127
  442    HA   ARG  42           HA       ARG  42  -4.599   4.519  -5.463
  443    HB2  ARG  42           HB2      ARG  42  -3.392   3.547  -3.373
  444    HB3  ARG  42           HB1      ARG  42  -3.606   2.027  -4.160
  445    HG2  ARG  42           HG2      ARG  42  -2.092   4.401  -5.189
  446    HG3  ARG  42           HG1      ARG  42  -1.424   2.864  -4.657
  447    HD2  ARG  42           HD2      ARG  42  -2.418   1.737  -6.549
  448    HD3  ARG  42           HD1      ARG  42  -3.230   3.224  -7.044
  449    HE   ARG  42           HE       ARG  42  -0.406   3.570  -6.849
  450   HH11  ARG  42          HH11      ARG  42  -2.907   2.270  -8.934
  451   HH12  ARG  42          HH12      ARG  42  -1.979   2.504 -10.381
  452   HH21  ARG  42          HH21      ARG  42   0.795   3.877  -8.757
  453   HH22  ARG  42          HH22      ARG  42   0.118   3.406 -10.285
  454    HA   PRO  43           HA       PRO  43  -7.387   1.636  -7.624
  455    HB2  PRO  43           HB2      PRO  43  -6.149   3.062  -9.917
  456    HB3  PRO  43           HB1      PRO  43  -7.854   2.735  -9.584
  457    HG2  PRO  43           HG2      PRO  43  -6.889   5.177  -9.246
  458    HG3  PRO  43           HG1      PRO  43  -8.022   4.488  -8.067
  459    HD2  PRO  43           HD2      PRO  43  -5.043   4.769  -7.875
  460    HD3  PRO  43           HD1      PRO  43  -6.325   5.083  -6.645
  461    H    LEU  44           HN       LEU  44  -6.630  -0.326  -7.716
  462    HA   LEU  44           HA       LEU  44  -4.311  -0.879  -9.411
  463    HB2  LEU  44           HB2      LEU  44  -4.997  -2.096  -6.766
  464    HB3  LEU  44           HB1      LEU  44  -4.143  -3.046  -7.959
  465    HG   LEU  44           HG       LEU  44  -2.340  -2.305  -6.832
  466   HD11  LEU  44          HD11      LEU  44  -1.283  -0.389  -7.829
  467   HD12  LEU  44          HD12      LEU  44  -2.828   0.173  -8.463
  468   HD13  LEU  44          HD13      LEU  44  -2.123  -1.329  -9.062
  469   HD21  LEU  44          HD21      LEU  44  -3.862   0.175  -6.068
  470   HD22  LEU  44          HD22      LEU  44  -2.208  -0.191  -5.573
  471   HD23  LEU  44          HD23      LEU  44  -3.536  -1.234  -5.056
  472    H    THR  45           HN       THR  45  -6.470  -3.045  -7.750
  473    HA   THR  45           HA       THR  45  -7.594  -4.903  -8.503
  474    HB   THR  45           HB       THR  45  -8.836  -3.284 -10.657
  475    HG1  THR  45           HG1      THR  45  -8.754  -2.529  -7.911
  476   HG21  THR  45          HG21      THR  45 -10.880  -4.085  -9.589
  477   HG22  THR  45          HG22      THR  45  -9.937  -4.761  -8.262
  478   HG23  THR  45          HG23      THR  45  -9.776  -5.427  -9.888
  479    H    MET  46           HN       MET  46  -4.968  -4.880  -9.845
  480    HA   MET  46           HA       MET  46  -3.858  -5.770 -11.587
  481    HB2  MET  46           HB2      MET  46  -6.561  -6.927 -12.260
  482    HB3  MET  46           HB1      MET  46  -5.073  -7.352 -13.097
  483    HG2  MET  46           HG2      MET  46  -5.678  -7.805 -10.184
  484    HG3  MET  46           HG1      MET  46  -5.654  -9.027 -11.454
  485    HE1  MET  46           HE1      MET  46  -3.064  -7.930 -13.135
  486    HE2  MET  46           HE2      MET  46  -3.433  -9.629 -12.840
  487    HE3  MET  46           HE3      MET  46  -1.835  -8.994 -12.450
  488    H    LYS  47           HN       LYS  47  -6.793  -5.508 -13.399
  489    HA   LYS  47           HA       LYS  47  -5.791  -3.103 -14.755
  490    HB2  LYS  47           HB2      LYS  47  -7.118  -5.509 -16.023
  491    HB3  LYS  47           HB1      LYS  47  -6.870  -3.977 -16.846
  492    HG2  LYS  47           HG2      LYS  47  -4.477  -4.223 -16.678
  493    HG3  LYS  47           HG1      LYS  47  -4.668  -5.696 -15.724
  494    HD2  LYS  47           HD2      LYS  47  -4.147  -6.208 -18.057
  495    HD3  LYS  47           HD1      LYS  47  -5.751  -6.789 -17.617
  496    HE2  LYS  47           HE2      LYS  47  -6.751  -4.824 -18.674
  497    HE3  LYS  47           HE1      LYS  47  -5.148  -4.238 -19.109
  498    HZ1  LYS  47           HZ1      LYS  47  -6.365  -6.777 -20.053
  499    HZ2  LYS  47           HZ2      LYS  47  -4.844  -6.184 -20.489
  500    HZ3  LYS  47           HZ3      LYS  47  -6.238  -5.352 -20.955
  501    H    LYS  48           HN       LYS  48  -8.701  -5.140 -14.777
  502    HA   LYS  48           HA       LYS  48 -10.230  -3.286 -13.249
  503    HB2  LYS  48           HB2      LYS  48 -10.203  -2.114 -15.441
  504    HB3  LYS  48           HB1      LYS  48 -10.935  -3.530 -16.181
  505    HG2  LYS  48           HG2      LYS  48 -12.934  -3.242 -14.865
  506    HG3  LYS  48           HG1      LYS  48 -12.195  -1.904 -13.985
  507    HD2  LYS  48           HD2      LYS  48 -12.037  -0.624 -16.068
  508    HD3  LYS  48           HD1      LYS  48 -12.783  -1.962 -16.942
  509    HE2  LYS  48           HE2      LYS  48 -14.067  -0.423 -14.689
  510    HE3  LYS  48           HE1      LYS  48 -14.381  -0.162 -16.404
  511    HZ1  LYS  48           HZ1      LYS  48 -16.082  -1.548 -15.436
  512    HZ2  LYS  48           HZ2      LYS  48 -14.932  -2.657 -14.889
  513    HZ3  LYS  48           HZ3      LYS  48 -15.182  -2.453 -16.546
  514    H    GLU  49           HN       GLU  49 -10.585  -5.190 -12.044
  515    HA   GLU  49           HA       GLU  49 -12.612  -6.932 -13.254
  516    HB2  GLU  49           HB2      GLU  49 -11.656  -8.802 -11.832
  517    HB3  GLU  49           HB1      GLU  49 -10.696  -8.318 -13.221
  518    HG2  GLU  49           HG2      GLU  49  -9.158  -7.133 -11.839
  519    HG3  GLU  49           HG1      GLU  49 -10.192  -7.336 -10.425
  Start of MODEL   19
    1    H1   MET -18           HT1      MET -18  28.496  -8.221  -2.828
    2    H2   MET -18           HT2      MET -18  28.408  -6.622  -3.372
    3    H3   MET -18           HT3      MET -18  29.548  -7.675  -4.033
    4    HA   MET -18           HA       MET -18  27.852  -9.010  -5.014
    5    HB2  MET -18           HB2      MET -18  26.007  -7.059  -3.639
    6    HB3  MET -18           HB1      MET -18  25.482  -8.102  -4.953
    7    HG2  MET -18           HG2      MET -18  24.851  -9.109  -2.894
    8    HG3  MET -18           HG1      MET -18  26.154 -10.062  -3.595
    9    HE1  MET -18           HE1      MET -18  25.214 -10.333  -0.561
   10    HE2  MET -18           HE2      MET -18  26.778 -10.438   0.246
   11    HE3  MET -18           HE3      MET -18  26.515 -11.283  -1.278
   12    H    ALA -17           HN       ALA -17  29.572  -7.667  -6.256
   13    HA   ALA -17           HA       ALA -17  28.493  -5.317  -7.568
   14    HB1  ALA -17           HB1      ALA -17  30.855  -5.379  -6.917
   15    HB2  ALA -17           HB2      ALA -17  30.661  -5.164  -8.657
   16    HB3  ALA -17           HB3      ALA -17  31.114  -6.739  -8.009
   17    H    HIS -16           HN       HIS -16  28.897  -8.706  -8.212
   18    HA   HIS -16           HA       HIS -16  28.530  -8.415 -11.063
   19    HB2  HIS -16           HB2      HIS -16  29.947 -10.223 -10.109
   20    HB3  HIS -16           HB1      HIS -16  28.510 -10.931  -9.382
   21    HD1  HIS -16           HD1      HIS -16  29.952 -10.165 -12.795
   22    HD2  HIS -16           HD2      HIS -16  27.121 -12.629 -11.016
   23    HE1  HIS -16           HE1      HIS -16  29.188 -11.731 -14.605
   24    HE2  HIS -16           HE2      HIS -16  27.588 -13.306 -13.466
   25    H    HIS -15           HN       HIS -15  26.642  -9.649  -8.315
   26    HA   HIS -15           HA       HIS -15  24.238  -9.101  -9.913
   27    HB2  HIS -15           HB2      HIS -15  23.097 -11.032  -9.009
   28    HB3  HIS -15           HB1      HIS -15  24.589 -11.555  -9.770
   29    HD1  HIS -15           HD1      HIS -15  26.424 -12.548  -8.217
   30    HD2  HIS -15           HD2      HIS -15  22.925 -11.456  -6.257
   31    HE1  HIS -15           HE1      HIS -15  26.565 -13.603  -5.943
   32    HE2  HIS -15           HE2      HIS -15  24.373 -13.052  -4.831
   33    H    HIS -14           HN       HIS -14  22.790  -7.833  -8.951
   34    HA   HIS -14           HA       HIS -14  23.410  -6.973  -6.215
   35    HB2  HIS -14           HB2      HIS -14  21.847  -5.614  -8.419
   36    HB3  HIS -14           HB1      HIS -14  22.062  -4.956  -6.801
   37    HD1  HIS -14           HD1      HIS -14  23.884  -5.543 -10.019
   38    HD2  HIS -14           HD2      HIS -14  24.578  -3.870  -6.277
   39    HE1  HIS -14           HE1      HIS -14  26.057  -4.298 -10.226
   40    HE2  HIS -14           HE2      HIS -14  26.520  -3.401  -7.919
   41    H    HIS -13           HN       HIS -13  21.856  -6.938  -4.611
   42    HA   HIS -13           HA       HIS -13  19.678  -8.766  -4.941
   43    HB2  HIS -13           HB2      HIS -13  19.163  -8.356  -2.595
   44    HB3  HIS -13           HB1      HIS -13  20.889  -8.609  -2.790
   45    HD1  HIS -13           HD1      HIS -13  22.441  -6.575  -2.328
   46    HD2  HIS -13           HD2      HIS -13  18.412  -5.842  -1.631
   47    HE1  HIS -13           HE1      HIS -13  22.362  -4.433  -1.022
   48    HE2  HIS -13           HE2      HIS -13  19.915  -3.919  -0.772
   49    H    HIS -12           HN       HIS -12  17.841  -8.273  -5.902
   50    HA   HIS -12           HA       HIS -12  17.125  -5.472  -6.189
   51    HB2  HIS -12           HB2      HIS -12  16.018  -7.961  -7.483
   52    HB3  HIS -12           HB1      HIS -12  15.410  -6.337  -7.789
   53    HD1  HIS -12           HD1      HIS -12  17.554  -8.691  -9.261
   54    HD2  HIS -12           HD2      HIS -12  17.811  -4.600  -8.587
   55    HE1  HIS -12           HE1      HIS -12  19.315  -7.854 -10.851
   56    HE2  HIS -12           HE2      HIS -12  19.364  -5.355 -10.510
   57    H    HIS -11           HN       HIS -11  16.371  -4.913  -4.203
   58    HA   HIS -11           HA       HIS -11  14.073  -6.369  -3.134
   59    HB2  HIS -11           HB2      HIS -11  15.884  -5.745  -1.570
   60    HB3  HIS -11           HB1      HIS -11  15.642  -4.050  -1.971
   61    HD1  HIS -11           HD1      HIS -11  14.203  -6.839   0.041
   62    HD2  HIS -11           HD2      HIS -11  13.368  -2.861  -0.819
   63    HE1  HIS -11           HE1      HIS -11  12.460  -6.136   1.714
   64    HE2  HIS -11           HE2      HIS -11  12.056  -3.693   1.243
   65    H    SER -10           HN       SER -10  12.149  -5.785  -3.879
   66    HA   SER -10           HA       SER -10  11.667  -3.296  -5.175
   67    HB2  SER -10           HB2      SER -10   9.662  -5.319  -4.153
   68    HB3  SER -10           HB1      SER -10   9.371  -4.075  -5.370
   69    HG   SER -10           HG       SER -10  11.431  -5.376  -6.260
   70    H    SER  -9           HN       SER  -9  12.118  -1.640  -3.744
   71    HA   SER  -9           HA       SER  -9  10.891  -1.634  -1.123
   72    HB2  SER  -9           HB2      SER  -9  13.255  -0.843  -1.598
   73    HB3  SER  -9           HB1      SER  -9  12.539   0.562  -2.385
   74    HG   SER  -9           HG       SER  -9  12.713   1.292  -0.393
   75    H    GLY  -8           HN       GLY  -8   8.785  -1.707  -2.543
   76    HA2  GLY  -8           HA2      GLY  -8   7.794   0.823  -3.450
   77    HA3  GLY  -8           HA1      GLY  -8   6.837  -0.623  -3.147
   78    H    LEU  -7           HN       LEU  -7   7.876  -0.871  -0.427
   79    HA   LEU  -7           HA       LEU  -7   5.987   0.806   0.906
   80    HB2  LEU  -7           HB2      LEU  -7   6.751  -0.318   2.964
   81    HB3  LEU  -7           HB1      LEU  -7   6.265  -1.438   1.713
   82    HG   LEU  -7           HG       LEU  -7   9.172  -0.785   2.071
   83   HD11  LEU  -7          HD11      LEU  -7   7.600  -2.815   3.656
   84   HD12  LEU  -7          HD12      LEU  -7   8.344  -1.350   4.298
   85   HD13  LEU  -7          HD13      LEU  -7   9.355  -2.641   3.649
   86   HD21  LEU  -7          HD21      LEU  -7   9.348  -3.183   1.344
   87   HD22  LEU  -7          HD22      LEU  -7   8.677  -2.093   0.138
   88   HD23  LEU  -7          HD23      LEU  -7   7.609  -3.156   1.054
   89    H    GLU  -6           HN       GLU  -6   7.254   2.652  -0.120
   90    HA   GLU  -6           HA       GLU  -6   9.666   3.471   1.252
   91    HB2  GLU  -6           HB2      GLU  -6   9.283   3.742  -1.198
   92    HB3  GLU  -6           HB1      GLU  -6   8.010   4.893  -0.835
   93    HG2  GLU  -6           HG2      GLU  -6   9.622   6.388   0.185
   94    HG3  GLU  -6           HG1      GLU  -6  10.911   5.219  -0.110
   95    H    VAL  -5           HN       VAL  -5   6.294   3.972   1.518
   96    HA   VAL  -5           HA       VAL  -5   6.410   6.578   2.712
   97    HB   VAL  -5           HB       VAL  -5   4.419   5.850   1.446
   98   HG11  VAL  -5          HG11      VAL  -5   3.950   3.920   3.701
   99   HG12  VAL  -5          HG12      VAL  -5   4.432   3.493   2.060
  100   HG13  VAL  -5          HG13      VAL  -5   2.861   4.239   2.351
  101   HG21  VAL  -5          HG21      VAL  -5   3.887   6.425   4.346
  102   HG22  VAL  -5          HG22      VAL  -5   2.719   6.592   3.037
  103   HG23  VAL  -5          HG23      VAL  -5   4.159   7.610   3.068
  104    H    LEU  -4           HN       LEU  -4   6.964   6.990   4.747
  105    HA   LEU  -4           HA       LEU  -4   6.668   4.836   6.737
  106    HB2  LEU  -4           HB2      LEU  -4   9.006   5.426   6.165
  107    HB3  LEU  -4           HB1      LEU  -4   8.701   7.069   6.689
  108    HG   LEU  -4           HG       LEU  -4   8.265   6.224   8.981
  109   HD11  LEU  -4          HD11      LEU  -4   9.194   3.593   7.838
  110   HD12  LEU  -4          HD12      LEU  -4   7.573   3.958   8.429
  111   HD13  LEU  -4          HD13      LEU  -4   8.936   3.939   9.548
  112   HD21  LEU  -4          HD21      LEU  -4  10.461   7.075   8.340
  113   HD22  LEU  -4          HD22      LEU  -4  10.939   5.458   7.823
  114   HD23  LEU  -4          HD23      LEU  -4  10.595   5.776   9.522
  115    H    PHE  -3           HN       PHE  -3   5.949   8.085   5.897
  116    HA   PHE  -3           HA       PHE  -3   5.302   8.926   8.580
  117    HB2  PHE  -3           HB2      PHE  -3   4.614  11.038   7.514
  118    HB3  PHE  -3           HB1      PHE  -3   6.232  10.560   7.018
  119    HD1  PHE  -3           HD1      PHE  -3   6.607   9.660   4.746
  120    HD2  PHE  -3           HD2      PHE  -3   2.842  11.240   5.944
  121    HE1  PHE  -3           HE1      PHE  -3   5.944   9.854   2.386
  122    HE2  PHE  -3           HE2      PHE  -3   2.172  11.437   3.586
  123    HZ   PHE  -3           HZ       PHE  -3   3.715  10.762   1.807
  124    H    GLN  -2           HN       GLN  -2   3.328   9.117   9.468
  125    HA   GLN  -2           HA       GLN  -2   1.128   8.753   9.877
  126    HB2  GLN  -2           HB2      GLN  -2   0.826   9.552   6.973
  127    HB3  GLN  -2           HB1      GLN  -2  -0.443   9.569   8.189
  128    HG2  GLN  -2           HG2      GLN  -2   2.049  11.254   8.236
  129    HG3  GLN  -2           HG1      GLN  -2   0.444  11.800   7.757
  130   HE21  GLN  -2          HE21      GLN  -2  -0.925  10.294   9.824
  131   HE22  GLN  -2          HE22      GLN  -2  -0.607  11.108  11.314
  132    H    GLY  -1           HN       GLY  -1   1.742   6.410  10.028
  133    HA2  GLY  -1           HA2      GLY  -1  -0.182   4.821   8.735
  134    HA3  GLY  -1           HA1      GLY  -1   1.350   4.615   7.908
  135    HA   PRO   0           HA       PRO   0   1.326   2.274  12.129
  136    HB2  PRO   0           HB2      PRO   0  -0.794   0.621  12.200
  137    HB3  PRO   0           HB1      PRO   0  -0.887   2.274  12.817
  138    HG2  PRO   0           HG2      PRO   0  -1.800   1.182  10.182
  139    HG3  PRO   0           HG1      PRO   0  -2.641   2.290  11.283
  140    HD2  PRO   0           HD2      PRO   0  -1.283   3.131   9.080
  141    HD3  PRO   0           HD1      PRO   0  -1.467   4.118  10.541
  142    H    ARG   1           HN       ARG   1   0.525  -0.464  12.086
  143    HA   ARG   1           HA       ARG   1   1.348  -1.618   9.570
  144    HB2  ARG   1           HB2      ARG   1   3.477  -1.003  10.755
  145    HB3  ARG   1           HB1      ARG   1   3.015  -2.104  12.043
  146    HG2  ARG   1           HG2      ARG   1   3.108  -3.979  10.536
  147    HG3  ARG   1           HG1      ARG   1   3.439  -2.903   9.175
  148    HD2  ARG   1           HD2      ARG   1   5.526  -2.207  10.225
  149    HD3  ARG   1           HD1      ARG   1   5.194  -3.263  11.597
  150    HE   ARG   1           HE       ARG   1   5.119  -4.960   9.503
  151   HH11  ARG   1          HH11      ARG   1   7.430  -2.539  10.478
  152   HH12  ARG   1          HH12      ARG   1   8.802  -3.428   9.903
  153   HH21  ARG   1          HH21      ARG   1   6.915  -6.139   8.733
  154   HH22  ARG   1          HH22      ARG   1   8.509  -5.473   8.892
  155    H    ARG   2           HN       ARG   2   1.177  -4.006   9.615
  156    HA   ARG   2           HA       ARG   2  -0.182  -5.258  11.818
  157    HB2  ARG   2           HB2      ARG   2  -1.957  -3.837  10.393
  158    HB3  ARG   2           HB1      ARG   2  -1.846  -5.216   9.310
  159    HG2  ARG   2           HG2      ARG   2  -2.767  -6.667  10.813
  160    HG3  ARG   2           HG1      ARG   2  -2.345  -5.655  12.185
  161    HD2  ARG   2           HD2      ARG   2  -4.020  -4.034  11.570
  162    HD3  ARG   2           HD1      ARG   2  -4.394  -4.940  10.106
  163    HE   ARG   2           HE       ARG   2  -4.903  -6.775  11.949
  164   HH11  ARG   2          HH11      ARG   2  -5.759  -3.380  11.909
  165   HH12  ARG   2          HH12      ARG   2  -7.237  -3.614  12.782
  166   HH21  ARG   2          HH21      ARG   2  -6.831  -7.079  13.127
  167   HH22  ARG   2          HH22      ARG   2  -7.834  -5.715  13.500
  168    H    ALA   3           HN       ALA   3  -0.866  -7.613  11.042
  169    HA   ALA   3           HA       ALA   3   0.426  -8.357   8.548
  170    HB1  ALA   3           HB1      ALA   3   1.664 -10.228   9.472
  171    HB2  ALA   3           HB2      ALA   3   1.084  -9.857  11.095
  172    HB3  ALA   3           HB3      ALA   3   2.168  -8.736  10.267
  173    H    GLY   4           HN       GLY   4  -0.174 -10.850   8.048
  174    HA2  GLY   4           HA2      GLY   4  -1.964 -12.144   7.444
  175    HA3  GLY   4           HA1      GLY   4  -2.343 -12.112   9.158
  176    H    THR   5           HN       THR   5  -2.424  -9.450   6.792
  177    HA   THR   5           HA       THR   5  -5.256  -9.102   7.505
  178    HB   THR   5           HB       THR   5  -3.625  -6.730   6.733
  179    HG1  THR   5           HG1      THR   5  -3.034  -8.377   8.839
  180   HG21  THR   5          HG21      THR   5  -5.054  -5.655   8.445
  181   HG22  THR   5          HG22      THR   5  -5.759  -7.207   8.853
  182   HG23  THR   5          HG23      THR   5  -6.044  -6.501   7.260
  183    H    CYS   6           HN       CYS   6  -6.267  -7.416   5.847
  184    HA   CYS   6           HA       CYS   6  -5.326  -8.003   3.131
  185    HB2  CYS   6           HB2      CYS   6  -8.029  -7.916   2.775
  186    HB3  CYS   6           HB1      CYS   6  -7.106  -9.392   2.983
  187    HG   CYS   6           HG       CYS   6  -7.737  -9.821   5.588
  188    H    CYS   7           HN       CYS   7  -5.999  -6.462   1.519
  189    HA   CYS   7           HA       CYS   7  -5.799  -3.834   2.706
  190    HB2  CYS   7           HB2      CYS   7  -4.312  -4.485   0.848
  191    HB3  CYS   7           HB1      CYS   7  -5.682  -4.564  -0.206
  192    H    ALA   8           HN       ALA   8  -7.406  -2.483   3.042
  193    HA   ALA   8           HA       ALA   8 -10.090  -2.902   2.495
  194    HB1  ALA   8           HB1      ALA   8  -8.722  -0.291   3.072
  195    HB2  ALA   8           HB2      ALA   8  -9.257  -1.456   4.290
  196    HB3  ALA   8           HB3      ALA   8 -10.439  -0.637   3.270
  197    H    ASN   9           HN       ASN   9  -8.485  -2.917   0.001
  198    HA   ASN   9           HA       ASN   9 -10.104  -1.187  -1.592
  199    HB2  ASN   9           HB2      ASN   9  -8.507   0.463  -0.786
  200    HB3  ASN   9           HB1      ASN   9  -7.148  -0.563  -1.350
  201   HD21  ASN   9          HD21      ASN   9  -6.279   0.365  -3.051
  202   HD22  ASN   9          HD22      ASN   9  -7.131   1.033  -4.394
  203    H    CYS  10           HN       CYS  10  -7.075  -3.132  -1.536
  204    HA   CYS  10           HA       CYS  10  -7.908  -4.035  -4.217
  205    HB2  CYS  10           HB2      CYS  10  -5.691  -3.965  -5.039
  206    HB3  CYS  10           HB1      CYS  10  -5.955  -2.425  -4.186
  207    H    GLN  11           HN       GLN  11  -7.895  -5.064  -1.293
  208    HA   GLN  11           HA       GLN  11  -7.562  -6.945  -0.075
  209    HB2  GLN  11           HB2      GLN  11  -8.829  -7.773  -2.646
  210    HB3  GLN  11           HB1      GLN  11  -8.619  -8.915  -1.327
  211    HG2  GLN  11           HG2      GLN  11  -9.855  -7.279   0.124
  212    HG3  GLN  11           HG1      GLN  11 -10.217  -6.372  -1.343
  213   HE21  GLN  11          HE21      GLN  11 -11.650  -7.237  -2.848
  214   HE22  GLN  11          HE22      GLN  11 -12.699  -8.555  -2.461
  215    H    THR  12           HN       THR  12  -5.109  -6.440  -1.973
  216    HA   THR  12           HA       THR  12  -3.908  -8.961  -2.150
  217    HB   THR  12           HB       THR  12  -2.936  -6.782  -3.090
  218    HG1  THR  12           HG1      THR  12  -1.309  -8.104  -3.297
  219   HG21  THR  12          HG21      THR  12  -1.494  -5.468  -1.645
  220   HG22  THR  12          HG22      THR  12  -1.835  -6.525  -0.276
  221   HG23  THR  12          HG23      THR  12  -3.115  -5.499  -0.940
  222    H    THR  13           HN       THR  13  -2.449  -9.921  -0.695
  223    HA   THR  13           HA       THR  13  -2.696  -9.053   2.095
  224    HB   THR  13           HB       THR  13  -2.681 -11.521   2.703
  225    HG1  THR  13           HG1      THR  13  -3.502 -12.889   0.995
  226   HG21  THR  13          HG21      THR  13  -4.672 -10.036   2.817
  227   HG22  THR  13          HG22      THR  13  -5.079 -11.722   2.467
  228   HG23  THR  13          HG23      THR  13  -5.083 -10.524   1.170
  229    H    THR  14           HN       THR  14  -0.799  -9.434  -0.404
  230    HA   THR  14           HA       THR  14   1.518 -10.430   1.005
  231    HB   THR  14           HB       THR  14   1.750  -9.376  -1.752
  232    HG1  THR  14           HG1      THR  14   0.160 -11.663  -1.083
  233   HG21  THR  14          HG21      THR  14   3.028 -11.394  -2.042
  234   HG22  THR  14          HG22      THR  14   2.454 -12.009  -0.495
  235   HG23  THR  14          HG23      THR  14   3.519 -10.602  -0.545
  236    H    THR  15           HN       THR  15   1.386  -8.570   2.466
  237    HA   THR  15           HA       THR  15   2.820  -6.288   1.404
  238    HB   THR  15           HB       THR  15   0.142  -5.762   2.758
  239    HG1  THR  15           HG1      THR  15   0.835  -6.201   0.131
  240   HG21  THR  15          HG21      THR  15   2.263  -3.997   1.559
  241   HG22  THR  15          HG22      THR  15   1.728  -4.047   3.237
  242   HG23  THR  15          HG23      THR  15   0.646  -3.451   1.985
  243    H    THR  16           HN       THR  16   4.185  -5.452   2.904
  244    HA   THR  16           HA       THR  16   4.074  -6.632   5.583
  245    HB   THR  16           HB       THR  16   6.387  -4.995   4.612
  246    HG1  THR  16           HG1      THR  16   7.007  -6.493   3.210
  247   HG21  THR  16          HG21      THR  16   6.162  -7.516   6.267
  248   HG22  THR  16          HG22      THR  16   6.397  -5.883   6.894
  249   HG23  THR  16          HG23      THR  16   7.654  -6.645   5.918
  250    H    LEU  17           HN       LEU  17   3.181  -3.833   4.022
  251    HA   LEU  17           HA       LEU  17   3.623  -2.176   6.471
  252    HB2  LEU  17           HB2      LEU  17   5.106  -1.567   4.555
  253    HB3  LEU  17           HB1      LEU  17   3.683  -1.206   3.605
  254    HG   LEU  17           HG       LEU  17   3.126   0.661   5.004
  255   HD11  LEU  17          HD11      LEU  17   5.401  -0.255   6.755
  256   HD12  LEU  17          HD12      LEU  17   3.686  -0.267   7.167
  257   HD13  LEU  17          HD13      LEU  17   4.529   1.264   6.943
  258   HD21  LEU  17          HD21      LEU  17   6.098   0.686   4.520
  259   HD22  LEU  17          HD22      LEU  17   5.043   2.090   4.678
  260   HD23  LEU  17          HD23      LEU  17   4.872   1.010   3.294
  261    H    TRP  18           HN       TRP  18   1.502  -2.907   7.065
  262    HA   TRP  18           HA       TRP  18  -0.739  -2.093   5.518
  263    HB2  TRP  18           HB2      TRP  18  -0.634  -3.317   8.258
  264    HB3  TRP  18           HB1      TRP  18  -2.082  -3.031   7.376
  265    HD1  TRP  18           HD1      TRP  18   0.724  -5.496   7.643
  266    HE1  TRP  18           HE1      TRP  18   0.283  -7.443   6.088
  267    HE3  TRP  18           HE3      TRP  18  -3.187  -3.597   4.955
  268    HZ2  TRP  18           HZ2      TRP  18  -1.434  -8.161   4.026
  269    HZ3  TRP  18           HZ3      TRP  18  -4.223  -5.000   3.228
  270    HH2  TRP  18           HH2      TRP  18  -3.384  -7.218   2.747
  271    H    ARG  19           HN       ARG  19  -0.782   0.072   5.359
  272    HA   ARG  19           HA       ARG  19  -0.808   1.786   7.757
  273    HB2  ARG  19           HB2      ARG  19  -1.651   3.085   5.260
  274    HB3  ARG  19           HB1      ARG  19  -0.287   3.441   6.309
  275    HG2  ARG  19           HG2      ARG  19   0.807   1.378   5.257
  276    HG3  ARG  19           HG1      ARG  19  -0.410   1.561   3.989
  277    HD2  ARG  19           HD2      ARG  19   1.560   2.700   3.274
  278    HD3  ARG  19           HD1      ARG  19   0.384   3.934   3.710
  279    HE   ARG  19           HE       ARG  19   2.636   3.100   5.427
  280   HH11  ARG  19          HH11      ARG  19   0.384   5.541   4.299
  281   HH12  ARG  19          HH12      ARG  19   1.071   6.791   5.284
  282   HH21  ARG  19          HH21      ARG  19   3.556   4.754   6.677
  283   HH22  ARG  19          HH22      ARG  19   2.883   6.357   6.610
  284    H    ARG  20           HN       ARG  20  -2.679   3.499   7.753
  285    HA   ARG  20           HA       ARG  20  -5.183   1.977   7.513
  286    HB2  ARG  20           HB2      ARG  20  -5.882   2.715   9.538
  287    HB3  ARG  20           HB1      ARG  20  -4.170   2.921   9.824
  288    HG2  ARG  20           HG2      ARG  20  -4.384   5.321   9.266
  289    HG3  ARG  20           HG1      ARG  20  -6.107   5.086   9.007
  290    HD2  ARG  20           HD2      ARG  20  -6.341   5.593  11.164
  291    HD3  ARG  20           HD1      ARG  20  -5.694   3.987  11.485
  292    HE   ARG  20           HE       ARG  20  -3.502   5.010  11.737
  293   HH11  ARG  20          HH11      ARG  20  -6.264   7.166  11.805
  294   HH12  ARG  20          HH12      ARG  20  -5.439   8.397  12.706
  295   HH21  ARG  20          HH21      ARG  20  -2.416   6.639  12.918
  296   HH22  ARG  20          HH22      ARG  20  -3.251   8.101  13.332
  297    H    ASN  21           HN       ASN  21  -7.027   3.006   6.795
  298    HA   ASN  21           HA       ASN  21  -6.463   5.271   5.020
  299    HB2  ASN  21           HB2      ASN  21  -8.279   4.664   3.626
  300    HB3  ASN  21           HB1      ASN  21  -7.523   3.113   4.072
  301   HD21  ASN  21          HD21      ASN  21  -9.820   2.619   3.152
  302   HD22  ASN  21          HD22      ASN  21 -11.066   2.483   4.326
  303    H    ALA  22           HN       ALA  22  -9.172   6.295   4.709
  304    HA   ALA  22           HA       ALA  22  -9.113   8.238   6.707
  305    HB1  ALA  22           HB1      ALA  22 -10.164   8.505   4.509
  306    HB2  ALA  22           HB2      ALA  22 -11.231   8.986   5.827
  307    HB3  ALA  22           HB3      ALA  22 -11.469   7.434   5.022
  308    H    ASN  23           HN       ASN  23 -10.682   5.124   6.777
  309    HA   ASN  23           HA       ASN  23 -12.401   5.883   9.019
  310    HB2  ASN  23           HB2      ASN  23 -13.244   4.474   7.047
  311    HB3  ASN  23           HB1      ASN  23 -12.185   3.219   7.656
  312   HD21  ASN  23          HD21      ASN  23 -14.238   1.928   7.913
  313   HD22  ASN  23          HD22      ASN  23 -15.173   2.187   9.340
  314    H    GLY  24           HN       GLY  24  -9.408   4.938   8.348
  315    HA2  GLY  24           HA2      GLY  24  -7.693   4.133   9.660
  316    HA3  GLY  24           HA1      GLY  24  -8.866   3.750  10.921
  317    H    ASP  25           HN       ASP  25  -9.224   2.826   7.624
  318    HA   ASP  25           HA       ASP  25  -9.314   0.032   8.462
  319    HB2  ASP  25           HB2      ASP  25 -10.916   1.403   6.719
  320    HB3  ASP  25           HB1      ASP  25  -9.802   0.591   5.617
  321    HA   PRO  26           HA       PRO  26  -5.270  -0.864   7.250
  322    HB2  PRO  26           HB2      PRO  26  -5.651  -3.516   6.493
  323    HB3  PRO  26           HB1      PRO  26  -5.464  -2.924   8.178
  324    HG2  PRO  26           HG2      PRO  26  -7.938  -3.627   6.651
  325    HG3  PRO  26           HG1      PRO  26  -7.548  -3.903   8.373
  326    HD2  PRO  26           HD2      PRO  26  -9.198  -1.869   7.562
  327    HD3  PRO  26           HD1      PRO  26  -8.133  -1.724   8.971
  328    H    VAL  27           HN       VAL  27  -4.026  -0.642   5.500
  329    HA   VAL  27           HA       VAL  27  -5.078  -1.520   2.887
  330    HB   VAL  27           HB       VAL  27  -3.999   0.677   1.901
  331   HG11  VAL  27          HG11      VAL  27  -6.784   0.680   3.030
  332   HG12  VAL  27          HG12      VAL  27  -6.293  -0.042   1.493
  333   HG13  VAL  27          HG13      VAL  27  -6.183   1.706   1.732
  334   HG21  VAL  27          HG21      VAL  27  -3.379   1.733   3.994
  335   HG22  VAL  27          HG22      VAL  27  -5.054   1.682   4.541
  336   HG23  VAL  27          HG23      VAL  27  -4.598   2.680   3.156
  337    H    CYS  28           HN       CYS  28  -3.469  -1.883   1.347
  338    HA   CYS  28           HA       CYS  28  -1.037  -2.800   2.507
  339    HB2  CYS  28           HB2      CYS  28  -0.706  -3.775   0.344
  340    HB3  CYS  28           HB1      CYS  28  -2.437  -3.699   0.519
  341    H    ASN  29           HN       ASN  29   1.192  -1.965   1.368
  342    HA   ASN  29           HA       ASN  29   1.428   0.648   2.199
  343    HB2  ASN  29           HB2      ASN  29   3.636   0.012   2.065
  344    HB3  ASN  29           HB1      ASN  29   3.168  -1.356   1.037
  345   HD21  ASN  29          HD21      ASN  29   3.656   2.249   0.738
  346   HD22  ASN  29          HD22      ASN  29   4.444   2.100  -0.780
  347    H    ALA  30           HN       ALA  30   1.144  -0.524  -1.094
  348    HA   ALA  30           HA       ALA  30   1.354   1.901  -2.385
  349    HB1  ALA  30           HB1      ALA  30   0.109   1.021  -4.197
  350    HB2  ALA  30           HB2      ALA  30  -0.538  -0.270  -3.185
  351    HB3  ALA  30           HB3      ALA  30   1.186  -0.222  -3.562
  352    H    CYS  31           HN       CYS  31  -1.648   0.519  -1.002
  353    HA   CYS  31           HA       CYS  31  -3.155   2.773  -1.974
  354    HB2  CYS  31           HB2      CYS  31  -4.132   0.615  -0.132
  355    HB3  CYS  31           HB1      CYS  31  -5.098   1.757  -1.016
  356    H    GLY  32           HN       GLY  32  -1.639   1.916   1.047
  357    HA2  GLY  32           HA2      GLY  32  -2.774   4.233   2.399
  358    HA3  GLY  32           HA1      GLY  32  -1.435   3.214   3.003
  359    H    LEU  33           HN       LEU  33   0.110   3.546   0.532
  360    HA   LEU  33           HA       LEU  33   1.502   5.948   1.218
  361    HB2  LEU  33           HB2      LEU  33   2.611   3.940   0.294
  362    HB3  LEU  33           HB1      LEU  33   1.826   4.211  -1.230
  363    HG   LEU  33           HG       LEU  33   3.471   6.433  -0.250
  364   HD11  LEU  33          HD11      LEU  33   4.823   4.393   0.313
  365   HD12  LEU  33          HD12      LEU  33   5.550   5.418  -0.921
  366   HD13  LEU  33          HD13      LEU  33   4.723   3.931  -1.384
  367   HD21  LEU  33          HD21      LEU  33   3.216   4.978  -2.858
  368   HD22  LEU  33          HD22      LEU  33   4.037   6.520  -2.605
  369   HD23  LEU  33          HD23      LEU  33   2.288   6.404  -2.402
  370    H    TYR  34           HN       TYR  34  -0.629   4.893  -1.430
  371    HA   TYR  34           HA       TYR  34  -0.163   7.197  -2.915
  372    HB2  TYR  34           HB2      TYR  34  -0.926   5.103  -3.922
  373    HB3  TYR  34           HB1      TYR  34  -2.428   5.210  -3.021
  374    HD1  TYR  34           HD1      TYR  34  -4.045   6.974  -3.589
  375    HD2  TYR  34           HD2      TYR  34  -0.639   6.175  -5.996
  376    HE1  TYR  34           HE1      TYR  34  -5.076   8.211  -5.432
  377    HE2  TYR  34           HE2      TYR  34  -1.659   7.422  -7.866
  378    HH   TYR  34           HH       TYR  34  -4.341   9.436  -7.473
  379    H    TYR  35           HN       TYR  35  -2.743   6.212  -0.769
  380    HA   TYR  35           HA       TYR  35  -4.422   8.425  -1.065
  381    HB2  TYR  35           HB2      TYR  35  -5.107   6.364   0.061
  382    HB3  TYR  35           HB1      TYR  35  -3.951   6.671   1.341
  383    HD1  TYR  35           HD1      TYR  35  -6.957   8.107  -0.252
  384    HD2  TYR  35           HD2      TYR  35  -4.582   7.806   3.219
  385    HE1  TYR  35           HE1      TYR  35  -8.642   9.326   1.002
  386    HE2  TYR  35           HE2      TYR  35  -6.208   9.019   4.513
  387    HH   TYR  35           HH       TYR  35  -9.368   9.826   3.163
  388    H    LYS  36           HN       LYS  36  -1.411   8.123   0.617
  389    HA   LYS  36           HA       LYS  36  -1.913  10.342   2.357
  390    HB2  LYS  36           HB2      LYS  36   0.345   8.523   1.785
  391    HB3  LYS  36           HB1      LYS  36   0.775  10.134   2.345
  392    HG2  LYS  36           HG2      LYS  36   0.516   8.455   4.155
  393    HG3  LYS  36           HG1      LYS  36  -0.447   9.903   4.324
  394    HD2  LYS  36           HD2      LYS  36  -2.387   8.664   3.399
  395    HD3  LYS  36           HD1      LYS  36  -1.403   7.202   3.420
  396    HE2  LYS  36           HE2      LYS  36  -2.780   7.234   5.385
  397    HE3  LYS  36           HE1      LYS  36  -1.105   7.499   5.863
  398    HZ1  LYS  36           HZ1      LYS  36  -3.149   9.626   5.539
  399    HZ2  LYS  36           HZ2      LYS  36  -1.556   9.858   6.047
  400    HZ3  LYS  36           HZ3      LYS  36  -2.635   8.987   7.016
  401    H    LEU  37           HN       LEU  37  -0.370   9.745  -0.681
  402    HA   LEU  37           HA       LEU  37   0.771  12.325  -0.971
  403    HB2  LEU  37           HB2      LEU  37   0.049  10.579  -3.305
  404    HB3  LEU  37           HB1      LEU  37   1.438  11.645  -3.103
  405    HG   LEU  37           HG       LEU  37   1.081   9.120  -1.521
  406   HD11  LEU  37          HD11      LEU  37   2.443   9.521  -4.172
  407   HD12  LEU  37          HD12      LEU  37   1.095   8.442  -3.810
  408   HD13  LEU  37          HD13      LEU  37   2.687   8.123  -3.129
  409   HD21  LEU  37          HD21      LEU  37   3.513  10.767  -2.190
  410   HD22  LEU  37          HD22      LEU  37   3.487   9.295  -1.221
  411   HD23  LEU  37          HD23      LEU  37   2.681  10.752  -0.633
  412    H    HIS  38           HN       HIS  38  -2.274  10.812  -1.856
  413    HA   HIS  38           HA       HIS  38  -2.936  13.168  -3.492
  414    HB2  HIS  38           HB2      HIS  38  -3.385  10.248  -4.044
  415    HB3  HIS  38           HB1      HIS  38  -4.166  11.521  -4.967
  416    HD1  HIS  38           HD1      HIS  38  -2.246   9.627  -6.411
  417    HD2  HIS  38           HD2      HIS  38  -1.042  13.192  -4.665
  418    HE1  HIS  38           HE1      HIS  38  -0.040  10.195  -7.476
  419    HE2  HIS  38           HE2      HIS  38   0.556  12.459  -6.559
  420    H    ASN  39           HN       ASN  39  -3.921  11.536  -0.783
  421    HA   ASN  39           HA       ASN  39  -5.793  11.778   0.564
  422    HB2  ASN  39           HB2      ASN  39  -6.568  13.657  -1.616
  423    HB3  ASN  39           HB1      ASN  39  -7.622  13.346  -0.273
  424   HD21  ASN  39          HD21      ASN  39  -5.430  13.263   1.746
  425   HD22  ASN  39          HD22      ASN  39  -4.873  14.887   1.886
  426    H    VAL  40           HN       VAL  40  -5.604  10.010  -1.971
  427    HA   VAL  40           HA       VAL  40  -8.329   9.016  -1.685
  428    HB   VAL  40           HB       VAL  40  -8.232   8.517  -4.275
  429   HG11  VAL  40          HG11      VAL  40  -9.161  11.116  -3.099
  430   HG12  VAL  40          HG12      VAL  40 -10.062   9.599  -3.154
  431   HG13  VAL  40          HG13      VAL  40  -9.673  10.452  -4.648
  432   HG21  VAL  40          HG21      VAL  40  -7.429  10.360  -5.584
  433   HG22  VAL  40          HG22      VAL  40  -6.104   9.721  -4.625
  434   HG23  VAL  40          HG23      VAL  40  -6.904  11.217  -4.134
  435    H    ASN  41           HN       ASN  41  -8.601   6.859  -2.502
  436    HA   ASN  41           HA       ASN  41  -6.360   5.299  -1.712
  437    HB2  ASN  41           HB2      ASN  41  -7.907   3.392  -2.532
  438    HB3  ASN  41           HB1      ASN  41  -8.391   4.314  -1.116
  439   HD21  ASN  41          HD21      ASN  41 -10.169   5.487  -1.170
  440   HD22  ASN  41          HD22      ASN  41 -11.279   5.550  -2.495
  441    H    ARG  42           HN       ARG  42  -5.576   3.484  -3.140
  442    HA   ARG  42           HA       ARG  42  -4.647   4.822  -5.525
  443    HB2  ARG  42           HB2      ARG  42  -3.022   3.690  -4.045
  444    HB3  ARG  42           HB1      ARG  42  -3.785   2.155  -4.407
  445    HG2  ARG  42           HG2      ARG  42  -3.169   2.321  -6.718
  446    HG3  ARG  42           HG1      ARG  42  -2.559   3.958  -6.480
  447    HD2  ARG  42           HD2      ARG  42  -0.844   3.079  -4.961
  448    HD3  ARG  42           HD1      ARG  42  -1.450   1.447  -5.242
  449    HE   ARG  42           HE       ARG  42  -0.917   2.145  -7.722
  450   HH11  ARG  42          HH11      ARG  42   1.007   2.757  -4.854
  451   HH12  ARG  42          HH12      ARG  42   2.518   2.704  -5.697
  452   HH21  ARG  42          HH21      ARG  42   1.062   2.104  -8.839
  453   HH22  ARG  42          HH22      ARG  42   2.549   2.349  -7.973
  454    HA   PRO  43           HA       PRO  43  -7.657   2.575  -8.094
  455    HB2  PRO  43           HB2      PRO  43  -5.803   3.838 -10.076
  456    HB3  PRO  43           HB1      PRO  43  -7.569   3.735 -10.101
  457    HG2  PRO  43           HG2      PRO  43  -6.449   6.011  -9.431
  458    HG3  PRO  43           HG1      PRO  43  -7.811   5.393  -8.474
  459    HD2  PRO  43           HD2      PRO  43  -4.875   5.330  -7.855
  460    HD3  PRO  43           HD1      PRO  43  -6.274   5.712  -6.775
  461    H    LEU  44           HN       LEU  44  -7.333   0.500  -8.333
  462    HA   LEU  44           HA       LEU  44  -4.934  -0.661  -9.379
  463    HB2  LEU  44           HB2      LEU  44  -5.046  -0.007  -6.663
  464    HB3  LEU  44           HB1      LEU  44  -5.442  -1.694  -6.695
  465    HG   LEU  44           HG       LEU  44  -3.331  -2.283  -7.646
  466   HD11  LEU  44          HD11      LEU  44  -1.628  -0.556  -8.179
  467   HD12  LEU  44          HD12      LEU  44  -2.878   0.675  -7.986
  468   HD13  LEU  44          HD13      LEU  44  -3.020  -0.536  -9.259
  469   HD21  LEU  44          HD21      LEU  44  -1.753  -1.332  -5.977
  470   HD22  LEU  44          HD22      LEU  44  -3.246  -1.944  -5.271
  471   HD23  LEU  44          HD23      LEU  44  -3.019  -0.205  -5.480
  472    H    THR  45           HN       THR  45  -5.502  -3.081  -7.768
  473    HA   THR  45           HA       THR  45  -7.023  -4.699  -7.303
  474    HB   THR  45           HB       THR  45  -9.228  -3.213  -8.704
  475    HG1  THR  45           HG1      THR  45  -9.573  -2.290  -6.500
  476   HG21  THR  45          HG21      THR  45 -10.586  -4.288  -6.994
  477   HG22  THR  45          HG22      THR  45  -9.141  -4.962  -6.247
  478   HG23  THR  45          HG23      THR  45  -9.629  -5.493  -7.858
  479    H    MET  46           HN       MET  46  -7.556  -3.253 -10.415
  480    HA   MET  46           HA       MET  46  -6.835  -5.626 -11.839
  481    HB2  MET  46           HB2      MET  46  -9.100  -6.268 -11.236
  482    HB3  MET  46           HB1      MET  46  -9.724  -4.714 -11.761
  483    HG2  MET  46           HG2      MET  46 -10.213  -6.549 -13.323
  484    HG3  MET  46           HG1      MET  46  -9.287  -5.240 -14.052
  485    HE1  MET  46           HE1      MET  46  -9.587  -8.033 -15.455
  486    HE2  MET  46           HE2      MET  46  -7.929  -8.294 -15.993
  487    HE3  MET  46           HE3      MET  46  -8.642  -6.687 -16.092
  488    H    LYS  47           HN       LYS  47  -7.016  -5.181 -14.241
  489    HA   LYS  47           HA       LYS  47  -6.161  -2.519 -14.816
  490    HB2  LYS  47           HB2      LYS  47  -6.886  -4.782 -16.688
  491    HB3  LYS  47           HB1      LYS  47  -6.060  -3.300 -17.155
  492    HG2  LYS  47           HG2      LYS  47  -4.201  -3.888 -15.659
  493    HG3  LYS  47           HG1      LYS  47  -5.024  -5.394 -15.253
  494    HD2  LYS  47           HD2      LYS  47  -4.144  -4.587 -18.023
  495    HD3  LYS  47           HD1      LYS  47  -3.267  -5.688 -16.962
  496    HE2  LYS  47           HE2      LYS  47  -5.251  -7.171 -16.937
  497    HE3  LYS  47           HE1      LYS  47  -6.033  -6.094 -18.093
  498    HZ1  LYS  47           HZ1      LYS  47  -4.195  -6.525 -19.635
  499    HZ2  LYS  47           HZ2      LYS  47  -5.033  -7.938 -19.237
  500    HZ3  LYS  47           HZ3      LYS  47  -3.530  -7.626 -18.534
  501    H    LYS  48           HN       LYS  48  -8.008  -1.449 -13.955
  502    HA   LYS  48           HA       LYS  48  -9.968  -0.328 -14.011
  503    HB2  LYS  48           HB2      LYS  48  -9.814  -0.866 -16.982
  504    HB3  LYS  48           HB1      LYS  48 -10.863   0.315 -16.210
  505    HG2  LYS  48           HG2      LYS  48  -7.853   0.360 -16.168
  506    HG3  LYS  48           HG1      LYS  48  -8.885   1.355 -17.196
  507    HD2  LYS  48           HD2      LYS  48  -9.886   2.355 -15.182
  508    HD3  LYS  48           HD1      LYS  48  -8.806   1.384 -14.180
  509    HE2  LYS  48           HE2      LYS  48  -7.941   3.431 -16.217
  510    HE3  LYS  48           HE1      LYS  48  -7.988   3.683 -14.473
  511    HZ1  LYS  48           HZ1      LYS  48  -5.765   3.147 -15.189
  512    HZ2  LYS  48           HZ2      LYS  48  -6.293   1.714 -15.909
  513    HZ3  LYS  48           HZ3      LYS  48  -6.365   1.891 -14.230
  514    H    GLU  49           HN       GLU  49 -11.012  -2.042 -12.785
  515    HA   GLU  49           HA       GLU  49 -12.892  -3.591 -14.440
  516    HB2  GLU  49           HB2      GLU  49 -11.409  -4.942 -12.999
  517    HB3  GLU  49           HB1      GLU  49 -12.036  -4.104 -11.588
  518    HG2  GLU  49           HG2      GLU  49 -14.208  -5.028 -11.914
  519    HG3  GLU  49           HG1      GLU  49 -13.741  -5.706 -13.473
  Start of MODEL   20
    1    H1   MET -18           HT1      MET -18  12.014 -24.329   4.584
    2    H2   MET -18           HT2      MET -18  11.510 -22.733   4.370
    3    H3   MET -18           HT3      MET -18  12.748 -23.362   3.407
    4    HA   MET -18           HA       MET -18  11.232 -24.916   2.397
    5    HB2  MET -18           HB2      MET -18   9.705 -25.177   4.288
    6    HB3  MET -18           HB1      MET -18   9.165 -23.516   4.104
    7    HG2  MET -18           HG2      MET -18   8.256 -24.057   1.900
    8    HG3  MET -18           HG1      MET -18   8.788 -25.725   2.095
    9    HE1  MET -18           HE1      MET -18   4.857 -25.899   2.387
   10    HE2  MET -18           HE2      MET -18   6.271 -26.481   1.507
   11    HE3  MET -18           HE3      MET -18   5.788 -24.790   1.381
   12    H    ALA -17           HN       ALA -17  10.495 -21.540   3.232
   13    HA   ALA -17           HA       ALA -17   9.504 -21.044   0.555
   14    HB1  ALA -17           HB1      ALA -17   8.352 -20.063   2.478
   15    HB2  ALA -17           HB2      ALA -17   8.957 -18.822   1.379
   16    HB3  ALA -17           HB3      ALA -17   9.809 -19.159   2.886
   17    H    HIS -16           HN       HIS -16  10.361 -19.517  -0.873
   18    HA   HIS -16           HA       HIS -16  13.032 -18.457  -0.281
   19    HB2  HIS -16           HB2      HIS -16  12.239 -19.959  -2.787
   20    HB3  HIS -16           HB1      HIS -16  13.677 -18.952  -2.678
   21    HD1  HIS -16           HD1      HIS -16  12.768 -22.346  -2.516
   22    HD2  HIS -16           HD2      HIS -16  15.306 -19.939  -0.268
   23    HE1  HIS -16           HE1      HIS -16  14.350 -23.922  -1.362
   24    HE2  HIS -16           HE2      HIS -16  15.938 -22.438  -0.087
   25    H    HIS -15           HN       HIS -15  13.060 -16.329  -0.629
   26    HA   HIS -15           HA       HIS -15  10.826 -15.112  -2.010
   27    HB2  HIS -15           HB2      HIS -15  11.785 -12.951  -1.239
   28    HB3  HIS -15           HB1      HIS -15  11.474 -14.078   0.071
   29    HD1  HIS -15           HD1      HIS -15  14.049 -11.931  -1.311
   30    HD2  HIS -15           HD2      HIS -15  13.941 -15.347   1.051
   31    HE1  HIS -15           HE1      HIS -15  16.309 -12.074  -0.220
   32    HE2  HIS -15           HE2      HIS -15  16.264 -14.219   1.091
   33    H    HIS -14           HN       HIS -14  11.588 -16.208  -4.007
   34    HA   HIS -14           HA       HIS -14  13.859 -15.022  -5.354
   35    HB2  HIS -14           HB2      HIS -14  13.277 -17.414  -5.654
   36    HB3  HIS -14           HB1      HIS -14  11.755 -16.935  -6.395
   37    HD1  HIS -14           HD1      HIS -14  12.047 -17.647  -8.762
   38    HD2  HIS -14           HD2      HIS -14  15.339 -15.551  -7.343
   39    HE1  HIS -14           HE1      HIS -14  13.557 -17.343 -10.744
   40    HE2  HIS -14           HE2      HIS -14  15.439 -15.906  -9.900
   41    H    HIS -13           HN       HIS -13  10.364 -14.804  -5.400
   42    HA   HIS -13           HA       HIS -13  10.608 -12.356  -6.986
   43    HB2  HIS -13           HB2      HIS -13   8.557 -12.929  -8.256
   44    HB3  HIS -13           HB1      HIS -13   9.877 -14.039  -8.586
   45    HD1  HIS -13           HD1      HIS -13   9.286 -16.448  -8.480
   46    HD2  HIS -13           HD2      HIS -13   6.606 -14.097  -6.343
   47    HE1  HIS -13           HE1      HIS -13   7.473 -18.009  -7.719
   48    HE2  HIS -13           HE2      HIS -13   5.989 -16.603  -6.254
   49    H    HIS -12           HN       HIS -12   9.124 -10.751  -6.458
   50    HA   HIS -12           HA       HIS -12   7.023 -11.278  -4.549
   51    HB2  HIS -12           HB2      HIS -12   9.235 -11.061  -3.239
   52    HB3  HIS -12           HB1      HIS -12   9.174  -9.359  -3.676
   53    HD1  HIS -12           HD1      HIS -12   7.930  -7.885  -2.103
   54    HD2  HIS -12           HD2      HIS -12   6.840 -11.882  -1.720
   55    HE1  HIS -12           HE1      HIS -12   6.377  -7.978  -0.127
   56    HE2  HIS -12           HE2      HIS -12   5.832 -10.422   0.160
   57    H    HIS -11           HN       HIS -11   8.798  -9.232  -6.664
   58    HA   HIS -11           HA       HIS -11   8.185  -7.545  -8.029
   59    HB2  HIS -11           HB2      HIS -11   5.442  -8.049  -6.878
   60    HB3  HIS -11           HB1      HIS -11   5.759  -6.785  -8.062
   61    HD1  HIS -11           HD1      HIS -11   5.410  -7.482 -10.409
   62    HD2  HIS -11           HD2      HIS -11   6.325 -10.710  -7.956
   63    HE1  HIS -11           HE1      HIS -11   5.268  -9.514 -11.881
   64    HE2  HIS -11           HE2      HIS -11   6.031 -11.418 -10.422
   65    H    SER -10           HN       SER -10   6.214  -6.914  -5.129
   66    HA   SER -10           HA       SER -10   7.163  -4.193  -5.035
   67    HB2  SER -10           HB2      SER -10   5.491  -5.650  -2.979
   68    HB3  SER -10           HB1      SER -10   5.593  -3.909  -3.247
   69    HG   SER -10           HG       SER -10   4.049  -4.130  -4.642
   70    H    SER  -9           HN       SER  -9   9.047  -3.665  -4.142
   71    HA   SER  -9           HA       SER  -9  10.123  -5.398  -2.022
   72    HB2  SER  -9           HB2      SER  -9  11.436  -5.346  -4.147
   73    HB3  SER  -9           HB1      SER  -9  11.669  -3.614  -3.920
   74    HG   SER  -9           HG       SER  -9  12.380  -5.407  -1.872
   75    H    GLY  -8           HN       GLY  -8  10.047  -2.019  -3.147
   76    HA2  GLY  -8           HA2      GLY  -8  10.905  -1.038  -0.569
   77    HA3  GLY  -8           HA1      GLY  -8  10.469  -0.065  -1.967
   78    H    LEU  -7           HN       LEU  -7   9.128  -2.034   0.637
   79    HA   LEU  -7           HA       LEU  -7   6.528  -0.759   0.302
   80    HB2  LEU  -7           HB2      LEU  -7   7.433  -2.910   2.223
   81    HB3  LEU  -7           HB1      LEU  -7   5.787  -2.336   2.050
   82    HG   LEU  -7           HG       LEU  -7   7.352  -3.713  -0.135
   83   HD11  LEU  -7          HD11      LEU  -7   5.903  -5.635   0.318
   84   HD12  LEU  -7          HD12      LEU  -7   5.213  -4.783   1.699
   85   HD13  LEU  -7          HD13      LEU  -7   6.916  -5.239   1.707
   86   HD21  LEU  -7          HD21      LEU  -7   4.443  -2.951   0.076
   87   HD22  LEU  -7          HD22      LEU  -7   5.165  -3.894  -1.225
   88   HD23  LEU  -7          HD23      LEU  -7   5.640  -2.213  -0.988
   89    H    GLU  -6           HN       GLU  -6   7.419   1.358   0.892
   90    HA   GLU  -6           HA       GLU  -6   6.959   1.860   3.687
   91    HB2  GLU  -6           HB2      GLU  -6   9.112   3.067   4.027
   92    HB3  GLU  -6           HB1      GLU  -6   9.301   1.330   3.835
   93    HG2  GLU  -6           HG2      GLU  -6   9.967   1.662   1.506
   94    HG3  GLU  -6           HG1      GLU  -6   9.788   3.405   1.710
   95    H    VAL  -5           HN       VAL  -5   6.241   3.918   4.068
   96    HA   VAL  -5           HA       VAL  -5   6.529   5.882   1.893
   97    HB   VAL  -5           HB       VAL  -5   4.150   4.947   2.155
   98   HG11  VAL  -5          HG11      VAL  -5   2.790   5.965   3.903
   99   HG12  VAL  -5          HG12      VAL  -5   4.240   6.677   4.612
  100   HG13  VAL  -5          HG13      VAL  -5   4.046   4.924   4.573
  101   HG21  VAL  -5          HG21      VAL  -5   3.139   7.087   1.723
  102   HG22  VAL  -5          HG22      VAL  -5   4.715   6.987   0.937
  103   HG23  VAL  -5          HG23      VAL  -5   4.530   7.919   2.424
  104    H    LEU  -4           HN       LEU  -4   7.417   5.055   4.863
  105    HA   LEU  -4           HA       LEU  -4   8.650   6.104   6.443
  106    HB2  LEU  -4           HB2      LEU  -4   7.977   8.705   5.072
  107    HB3  LEU  -4           HB1      LEU  -4   9.201   8.464   6.303
  108    HG   LEU  -4           HG       LEU  -4   9.237   7.325   3.506
  109   HD11  LEU  -4          HD11      LEU  -4  11.171   8.783   3.206
  110   HD12  LEU  -4          HD12      LEU  -4  10.946   9.421   4.833
  111   HD13  LEU  -4          HD13      LEU  -4   9.723   9.706   3.597
  112   HD21  LEU  -4          HD21      LEU  -4  11.479   6.516   4.079
  113   HD22  LEU  -4          HD22      LEU  -4  10.232   5.756   5.066
  114   HD23  LEU  -4          HD23      LEU  -4  11.232   7.038   5.745
  115    H    PHE  -3           HN       PHE  -3   5.942   8.348   5.760
  116    HA   PHE  -3           HA       PHE  -3   5.472   8.533   8.625
  117    HB2  PHE  -3           HB2      PHE  -3   3.669  10.215   7.806
  118    HB3  PHE  -3           HB1      PHE  -3   5.367  10.654   7.693
  119    HD1  PHE  -3           HD1      PHE  -3   6.065  11.629   5.754
  120    HD2  PHE  -3           HD2      PHE  -3   2.763   8.951   5.621
  121    HE1  PHE  -3           HE1      PHE  -3   5.798  12.086   3.354
  122    HE2  PHE  -3           HE2      PHE  -3   2.496   9.400   3.221
  123    HZ   PHE  -3           HZ       PHE  -3   4.009  10.967   2.081
  124    H    GLN  -2           HN       GLN  -2   2.969   8.811   9.133
  125    HA   GLN  -2           HA       GLN  -2   1.023   7.740   9.573
  126    HB2  GLN  -2           HB2      GLN  -2   0.588   8.111   7.150
  127    HB3  GLN  -2           HB1      GLN  -2   1.339   6.561   6.801
  128    HG2  GLN  -2           HG2      GLN  -2  -0.873   5.986   6.793
  129    HG3  GLN  -2           HG1      GLN  -2  -0.444   5.644   8.467
  130   HE21  GLN  -2          HE21      GLN  -2  -2.492   5.926   9.267
  131   HE22  GLN  -2          HE22      GLN  -2  -3.278   7.468   9.330
  132    H    GLY  -1           HN       GLY  -1   1.542   6.405  11.228
  133    HA2  GLY  -1           HA2      GLY  -1   3.357   4.286  11.148
  134    HA3  GLY  -1           HA1      GLY  -1   2.148   4.532  12.392
  135    HA   PRO   0           HA       PRO   0   0.638   1.157   9.394
  136    HB2  PRO   0           HB2      PRO   0   2.533  -0.304   8.248
  137    HB3  PRO   0           HB1      PRO   0   2.145   1.304   7.624
  138    HG2  PRO   0           HG2      PRO   0   4.467   0.420   9.266
  139    HG3  PRO   0           HG1      PRO   0   4.394   1.651   7.996
  140    HD2  PRO   0           HD2      PRO   0   4.280   2.083  10.790
  141    HD3  PRO   0           HD1      PRO   0   3.969   3.274   9.514
  142    H    ARG   1           HN       ARG   1   0.016  -0.876  10.053
  143    HA   ARG   1           HA       ARG   1   1.620  -2.758  11.380
  144    HB2  ARG   1           HB2      ARG   1   1.640  -1.138  13.213
  145    HB3  ARG   1           HB1      ARG   1  -0.117  -1.078  13.199
  146    HG2  ARG   1           HG2      ARG   1  -0.179  -3.447  13.842
  147    HG3  ARG   1           HG1      ARG   1   1.584  -3.457  13.910
  148    HD2  ARG   1           HD2      ARG   1   1.563  -1.804  15.670
  149    HD3  ARG   1           HD1      ARG   1  -0.190  -1.660  15.553
  150    HE   ARG   1           HE       ARG   1   0.528  -4.342  16.075
  151   HH11  ARG   1          HH11      ARG   1   0.381  -1.207  17.619
  152   HH12  ARG   1          HH12      ARG   1   0.122  -1.857  19.207
  153   HH21  ARG   1          HH21      ARG   1   0.173  -5.206  18.173
  154   HH22  ARG   1          HH22      ARG   1  -0.004  -4.126  19.521
  155    H    ARG   2           HN       ARG   2   0.633  -4.672  11.083
  156    HA   ARG   2           HA       ARG   2  -1.892  -5.350  11.924
  157    HB2  ARG   2           HB2      ARG   2  -2.085  -3.989   9.401
  158    HB3  ARG   2           HB1      ARG   2  -2.594  -5.641   9.211
  159    HG2  ARG   2           HG2      ARG   2  -3.688  -3.609  11.078
  160    HG3  ARG   2           HG1      ARG   2  -4.494  -4.322   9.691
  161    HD2  ARG   2           HD2      ARG   2  -4.455  -6.501  10.797
  162    HD3  ARG   2           HD1      ARG   2  -3.642  -5.780  12.180
  163    HE   ARG   2           HE       ARG   2  -6.188  -4.596  11.478
  164   HH11  ARG   2          HH11      ARG   2  -4.480  -6.907  13.473
  165   HH12  ARG   2          HH12      ARG   2  -5.756  -7.032  14.640
  166   HH21  ARG   2          HH21      ARG   2  -7.875  -4.769  13.014
  167   HH22  ARG   2          HH22      ARG   2  -7.679  -5.817  14.382
  168    H    ALA   3           HN       ALA   3   0.578  -5.905   9.521
  169    HA   ALA   3           HA       ALA   3   1.883  -7.729   9.126
  170    HB1  ALA   3           HB1      ALA   3   1.824  -8.124  11.527
  171    HB2  ALA   3           HB2      ALA   3   1.844  -9.638  10.622
  172    HB3  ALA   3           HB3      ALA   3   0.342  -9.060  11.343
  173    H    GLY   4           HN       GLY   4  -0.998  -9.613  10.034
  174    HA2  GLY   4           HA2      GLY   4  -0.911 -10.801   7.320
  175    HA3  GLY   4           HA1      GLY   4  -1.455 -11.618   8.772
  176    H    THR   5           HN       THR   5  -2.326  -8.714   6.842
  177    HA   THR   5           HA       THR   5  -5.143  -9.332   7.457
  178    HB   THR   5           HB       THR   5  -4.049  -6.543   7.013
  179    HG1  THR   5           HG1      THR   5  -3.468  -8.191   9.024
  180   HG21  THR   5          HG21      THR   5  -6.003  -5.961   8.501
  181   HG22  THR   5          HG22      THR   5  -6.529  -7.635   8.388
  182   HG23  THR   5          HG23      THR   5  -6.467  -6.630   6.939
  183    H    CYS   6           HN       CYS   6  -6.487  -7.735   5.817
  184    HA   CYS   6           HA       CYS   6  -5.360  -8.091   3.123
  185    HB2  CYS   6           HB2      CYS   6  -7.916  -8.104   2.502
  186    HB3  CYS   6           HB1      CYS   6  -7.134  -9.550   3.094
  187    HG   CYS   6           HG       CYS   6  -9.445  -7.596   4.584
  188    H    CYS   7           HN       CYS   7  -5.916  -6.501   1.544
  189    HA   CYS   7           HA       CYS   7  -5.790  -3.907   2.788
  190    HB2  CYS   7           HB2      CYS   7  -4.260  -4.557   0.956
  191    HB3  CYS   7           HB1      CYS   7  -5.606  -4.572  -0.136
  192    H    ALA   8           HN       ALA   8  -7.370  -2.520   3.076
  193    HA   ALA   8           HA       ALA   8 -10.052  -2.939   2.501
  194    HB1  ALA   8           HB1      ALA   8 -10.438  -0.717   3.318
  195    HB2  ALA   8           HB2      ALA   8  -8.740  -0.305   3.092
  196    HB3  ALA   8           HB3      ALA   8  -9.209  -1.499   4.311
  197    H    ASN   9           HN       ASN   9  -8.390  -2.920   0.065
  198    HA   ASN   9           HA       ASN   9 -10.074  -1.276  -1.569
  199    HB2  ASN   9           HB2      ASN   9  -8.451   0.403  -0.886
  200    HB3  ASN   9           HB1      ASN   9  -7.105  -0.660  -1.413
  201   HD21  ASN   9          HD21      ASN   9  -6.247   0.256  -3.131
  202   HD22  ASN   9          HD22      ASN   9  -7.115   0.827  -4.506
  203    H    CYS  10           HN       CYS  10  -7.057  -3.226  -1.462
  204    HA   CYS  10           HA       CYS  10  -7.874  -4.200  -4.118
  205    HB2  CYS  10           HB2      CYS  10  -5.615  -4.189  -4.876
  206    HB3  CYS  10           HB1      CYS  10  -5.904  -2.623  -4.086
  207    H    GLN  11           HN       GLN  11  -7.863  -5.155  -1.114
  208    HA   GLN  11           HA       GLN  11  -7.599  -7.023   0.130
  209    HB2  GLN  11           HB2      GLN  11  -8.913  -7.800  -2.418
  210    HB3  GLN  11           HB1      GLN  11  -8.591  -9.031  -1.202
  211    HG2  GLN  11           HG2      GLN  11  -9.878  -7.816   0.430
  212    HG3  GLN  11           HG1      GLN  11 -10.105  -6.482  -0.701
  213   HE21  GLN  11          HE21      GLN  11 -11.031  -9.730   0.132
  214   HE22  GLN  11          HE22      GLN  11 -12.415  -9.804  -0.903
  215    H    THR  12           HN       THR  12  -5.138  -6.592  -1.807
  216    HA   THR  12           HA       THR  12  -3.948  -9.109  -1.920
  217    HB   THR  12           HB       THR  12  -2.975  -6.999  -2.944
  218    HG1  THR  12           HG1      THR  12  -1.567  -8.636  -3.018
  219   HG21  THR  12          HG21      THR  12  -1.967  -6.582  -0.111
  220   HG22  THR  12          HG22      THR  12  -3.135  -5.547  -0.938
  221   HG23  THR  12          HG23      THR  12  -1.473  -5.656  -1.529
  222    H    THR  13           HN       THR  13  -2.565 -10.120  -0.513
  223    HA   THR  13           HA       THR  13  -2.569  -9.194   2.273
  224    HB   THR  13           HB       THR  13  -2.621 -11.639   2.930
  225    HG1  THR  13           HG1      THR  13  -3.956 -12.351   0.641
  226   HG21  THR  13          HG21      THR  13  -5.030 -11.782   2.813
  227   HG22  THR  13          HG22      THR  13  -5.068 -10.615   1.490
  228   HG23  THR  13          HG23      THR  13  -4.565 -10.101   3.103
  229    H    THR  14           HN       THR  14  -0.729  -9.485  -0.246
  230    HA   THR  14           HA       THR  14   1.516 -10.819   1.087
  231    HB   THR  14           HB       THR  14   1.004 -11.585  -1.246
  232    HG1  THR  14           HG1      THR  14   3.508 -10.466  -0.558
  233   HG21  THR  14          HG21      THR  14   1.693  -8.741  -1.926
  234   HG22  THR  14          HG22      THR  14   0.406  -9.763  -2.581
  235   HG23  THR  14          HG23      THR  14   2.078 -10.039  -3.050
  236    H    THR  15           HN       THR  15   0.983  -8.670   2.334
  237    HA   THR  15           HA       THR  15   2.826  -6.602   1.346
  238    HB   THR  15           HB       THR  15   0.287  -5.726   2.736
  239    HG1  THR  15           HG1      THR  15   0.460  -6.859   0.299
  240   HG21  THR  15          HG21      THR  15   0.822  -3.633   1.705
  241   HG22  THR  15          HG22      THR  15   2.129  -4.366   0.776
  242   HG23  THR  15          HG23      THR  15   2.258  -4.232   2.527
  243    H    THR  16           HN       THR  16   4.097  -5.666   2.844
  244    HA   THR  16           HA       THR  16   3.932  -6.698   5.591
  245    HB   THR  16           HB       THR  16   6.271  -5.185   4.455
  246    HG1  THR  16           HG1      THR  16   7.001  -7.468   3.923
  247   HG21  THR  16          HG21      THR  16   7.532  -6.636   5.975
  248   HG22  THR  16          HG22      THR  16   6.044  -7.464   6.432
  249   HG23  THR  16          HG23      THR  16   6.270  -5.764   6.843
  250    H    LEU  17           HN       LEU  17   2.714  -4.143   4.039
  251    HA   LEU  17           HA       LEU  17   3.475  -2.190   6.161
  252    HB2  LEU  17           HB2      LEU  17   4.636  -1.879   3.847
  253    HB3  LEU  17           HB1      LEU  17   3.063  -1.328   3.310
  254    HG   LEU  17           HG       LEU  17   3.112   0.418   5.080
  255   HD11  LEU  17          HD11      LEU  17   5.282   0.883   6.151
  256   HD12  LEU  17          HD12      LEU  17   5.927  -0.600   5.449
  257   HD13  LEU  17          HD13      LEU  17   4.625  -0.679   6.635
  258   HD21  LEU  17          HD21      LEU  17   4.862   1.802   4.001
  259   HD22  LEU  17          HD22      LEU  17   3.771   1.023   2.863
  260   HD23  LEU  17          HD23      LEU  17   5.389   0.372   3.113
  261    H    TRP  18           HN       TRP  18   1.447  -2.723   7.088
  262    HA   TRP  18           HA       TRP  18  -0.896  -2.069   5.574
  263    HB2  TRP  18           HB2      TRP  18  -0.647  -3.220   8.333
  264    HB3  TRP  18           HB1      TRP  18  -2.134  -3.002   7.481
  265    HD1  TRP  18           HD1      TRP  18   0.756  -5.369   7.725
  266    HE1  TRP  18           HE1      TRP  18   0.355  -7.336   6.179
  267    HE3  TRP  18           HE3      TRP  18  -3.260  -3.618   5.100
  268    HZ2  TRP  18           HZ2      TRP  18  -1.388  -8.114   4.156
  269    HZ3  TRP  18           HZ3      TRP  18  -4.277  -5.057   3.385
  270    HH2  TRP  18           HH2      TRP  18  -3.360  -7.236   2.890
  271    H    ARG  19           HN       ARG  19  -0.895   0.065   5.355
  272    HA   ARG  19           HA       ARG  19  -0.839   1.885   7.669
  273    HB2  ARG  19           HB2      ARG  19  -1.719   3.171   5.255
  274    HB3  ARG  19           HB1      ARG  19  -0.169   3.326   6.060
  275    HG2  ARG  19           HG2      ARG  19   0.237   1.004   4.788
  276    HG3  ARG  19           HG1      ARG  19  -0.921   1.744   3.685
  277    HD2  ARG  19           HD2      ARG  19   1.162   2.405   2.863
  278    HD3  ARG  19           HD1      ARG  19   0.646   3.813   3.790
  279    HE   ARG  19           HE       ARG  19   2.802   1.970   4.416
  280   HH11  ARG  19          HH11      ARG  19   0.810   4.615   5.518
  281   HH12  ARG  19          HH12      ARG  19   1.900   5.057   6.794
  282   HH21  ARG  19          HH21      ARG  19   4.259   2.600   6.068
  283   HH22  ARG  19          HH22      ARG  19   3.853   3.944   7.088
  284    H    ARG  20           HN       ARG  20  -2.730   3.524   7.793
  285    HA   ARG  20           HA       ARG  20  -5.260   2.120   7.411
  286    HB2  ARG  20           HB2      ARG  20  -4.463   4.450   9.137
  287    HB3  ARG  20           HB1      ARG  20  -6.136   4.031   8.861
  288    HG2  ARG  20           HG2      ARG  20  -4.110   2.727  10.530
  289    HG3  ARG  20           HG1      ARG  20  -5.848   2.912  10.745
  290    HD2  ARG  20           HD2      ARG  20  -6.208   1.157   9.039
  291    HD3  ARG  20           HD1      ARG  20  -4.461   0.916   8.972
  292    HE   ARG  20           HE       ARG  20  -6.146   0.409  11.339
  293   HH11  ARG  20          HH11      ARG  20  -3.279  -0.225   9.429
  294   HH12  ARG  20          HH12      ARG  20  -2.726  -1.511  10.456
  295   HH21  ARG  20          HH21      ARG  20  -5.430  -1.297  12.678
  296   HH22  ARG  20          HH22      ARG  20  -3.953  -2.124  12.298
  297    H    ASN  21           HN       ASN  21  -6.947   2.997   6.300
  298    HA   ASN  21           HA       ASN  21  -6.352   5.337   4.651
  299    HB2  ASN  21           HB2      ASN  21  -8.298   4.819   3.320
  300    HB3  ASN  21           HB1      ASN  21  -7.407   3.294   3.591
  301   HD21  ASN  21          HD21      ASN  21  -9.620   2.556   2.858
  302   HD22  ASN  21          HD22      ASN  21 -10.820   2.316   4.050
  303    H    ALA  22           HN       ALA  22  -9.023   6.458   4.390
  304    HA   ALA  22           HA       ALA  22  -8.946   8.271   6.514
  305    HB1  ALA  22           HB1      ALA  22 -11.294   7.640   4.748
  306    HB2  ALA  22           HB2      ALA  22  -9.965   8.721   4.334
  307    HB3  ALA  22           HB3      ALA  22 -11.041   9.121   5.671
  308    H    ASN  23           HN       ASN  23 -10.405   5.149   6.462
  309    HA   ASN  23           HA       ASN  23 -12.379   5.815   8.494
  310    HB2  ASN  23           HB2      ASN  23 -13.025   4.360   6.592
  311    HB3  ASN  23           HB1      ASN  23 -11.792   3.218   7.077
  312   HD21  ASN  23          HD21      ASN  23 -13.092   1.494   7.561
  313   HD22  ASN  23          HD22      ASN  23 -14.286   1.534   8.805
  314    H    GLY  24           HN       GLY  24  -9.221   5.030   8.210
  315    HA2  GLY  24           HA2      GLY  24  -7.678   4.255   9.759
  316    HA3  GLY  24           HA1      GLY  24  -9.018   3.859  10.824
  317    H    ASP  25           HN       ASP  25  -9.046   2.911   7.503
  318    HA   ASP  25           HA       ASP  25  -9.244   0.147   8.420
  319    HB2  ASP  25           HB2      ASP  25 -10.720   1.507   6.521
  320    HB3  ASP  25           HB1      ASP  25  -9.599   0.534   5.549
  321    HA   PRO  26           HA       PRO  26  -5.217  -0.948   7.276
  322    HB2  PRO  26           HB2      PRO  26  -5.779  -3.581   6.494
  323    HB3  PRO  26           HB1      PRO  26  -5.476  -3.032   8.170
  324    HG2  PRO  26           HG2      PRO  26  -8.040  -3.617   6.774
  325    HG3  PRO  26           HG1      PRO  26  -7.612  -3.818   8.492
  326    HD2  PRO  26           HD2      PRO  26  -9.183  -1.758   7.584
  327    HD3  PRO  26           HD1      PRO  26  -8.129  -1.619   9.002
  328    H    VAL  27           HN       VAL  27  -4.001  -0.670   5.515
  329    HA   VAL  27           HA       VAL  27  -4.992  -1.627   2.910
  330    HB   VAL  27           HB       VAL  27  -4.024   0.536   1.823
  331   HG11  VAL  27          HG11      VAL  27  -6.206   1.569   1.706
  332   HG12  VAL  27          HG12      VAL  27  -6.746   0.628   3.096
  333   HG13  VAL  27          HG13      VAL  27  -6.348  -0.188   1.579
  334   HG21  VAL  27          HG21      VAL  27  -4.875   1.639   4.487
  335   HG22  VAL  27          HG22      VAL  27  -4.591   2.595   3.034
  336   HG23  VAL  27          HG23      VAL  27  -3.270   1.712   3.773
  337    H    CYS  28           HN       CYS  28  -3.353  -1.988   1.410
  338    HA   CYS  28           HA       CYS  28  -0.842  -2.770   2.499
  339    HB2  CYS  28           HB2      CYS  28  -0.606  -3.781   0.338
  340    HB3  CYS  28           HB1      CYS  28  -2.330  -3.698   0.576
  341    H    ASN  29           HN       ASN  29   1.287  -1.939   1.178
  342    HA   ASN  29           HA       ASN  29   1.722   0.647   1.959
  343    HB2  ASN  29           HB2      ASN  29   3.709  -0.534   1.625
  344    HB3  ASN  29           HB1      ASN  29   3.155  -1.238   0.111
  345   HD21  ASN  29          HD21      ASN  29   3.053   2.269   0.686
  346   HD22  ASN  29          HD22      ASN  29   4.373   2.638  -0.343
  347    H    ALA  30           HN       ALA  30   1.066  -0.340  -1.424
  348    HA   ALA  30           HA       ALA  30   1.258   2.219  -2.482
  349    HB1  ALA  30           HB1      ALA  30  -0.513   0.020  -3.477
  350    HB2  ALA  30           HB2      ALA  30   1.164   0.320  -3.935
  351    HB3  ALA  30           HB3      ALA  30  -0.090   1.493  -4.348
  352    H    CYS  31           HN       CYS  31  -1.711   0.598  -1.350
  353    HA   CYS  31           HA       CYS  31  -3.423   2.715  -2.092
  354    HB2  CYS  31           HB2      CYS  31  -3.857   0.517  -0.131
  355    HB3  CYS  31           HB1      CYS  31  -5.112   1.532  -0.773
  356    H    GLY  32           HN       GLY  32  -1.765   1.987   0.933
  357    HA2  GLY  32           HA2      GLY  32  -2.893   4.298   2.278
  358    HA3  GLY  32           HA1      GLY  32  -1.501   3.341   2.850
  359    H    LEU  33           HN       LEU  33   0.181   3.618   0.628
  360    HA   LEU  33           HA       LEU  33   1.519   5.997   1.288
  361    HB2  LEU  33           HB2      LEU  33   2.622   4.045   0.271
  362    HB3  LEU  33           HB1      LEU  33   1.780   4.338  -1.216
  363    HG   LEU  33           HG       LEU  33   3.406   6.580  -0.324
  364   HD11  LEU  33          HD11      LEU  33   5.508   5.586  -0.995
  365   HD12  LEU  33          HD12      LEU  33   4.711   4.045  -1.298
  366   HD13  LEU  33          HD13      LEU  33   4.833   4.664   0.347
  367   HD21  LEU  33          HD21      LEU  33   4.010   6.542  -2.695
  368   HD22  LEU  33          HD22      LEU  33   2.262   6.504  -2.469
  369   HD23  LEU  33          HD23      LEU  33   3.130   5.024  -2.873
  370    H    TYR  34           HN       TYR  34  -0.671   5.124  -1.371
  371    HA   TYR  34           HA       TYR  34  -0.107   7.486  -2.763
  372    HB2  TYR  34           HB2      TYR  34  -0.841   5.453  -3.893
  373    HB3  TYR  34           HB1      TYR  34  -2.369   5.518  -3.029
  374    HD1  TYR  34           HD1      TYR  34  -4.049   7.128  -3.631
  375    HD2  TYR  34           HD2      TYR  34  -0.406   6.832  -5.788
  376    HE1  TYR  34           HE1      TYR  34  -5.025   8.476  -5.427
  377    HE2  TYR  34           HE2      TYR  34  -1.370   8.207  -7.594
  378    HH   TYR  34           HH       TYR  34  -4.327   9.883  -7.268
  379    H    TYR  35           HN       TYR  35  -2.842   6.393  -0.822
  380    HA   TYR  35           HA       TYR  35  -4.379   8.715  -1.001
  381    HB2  TYR  35           HB2      TYR  35  -5.111   6.533   0.022
  382    HB3  TYR  35           HB1      TYR  35  -4.168   6.963   1.434
  383    HD1  TYR  35           HD1      TYR  35  -7.308   7.273  -0.174
  384    HD2  TYR  35           HD2      TYR  35  -4.755   9.100   2.654
  385    HE1  TYR  35           HE1      TYR  35  -9.196   8.497   0.724
  386    HE2  TYR  35           HE2      TYR  35  -6.625  10.336   3.589
  387    HH   TYR  35           HH       TYR  35  -8.821  11.098   2.979
  388    H    LYS  36           HN       LYS  36  -1.477   8.078   0.780
  389    HA   LYS  36           HA       LYS  36  -1.818  10.165   2.683
  390    HB2  LYS  36           HB2      LYS  36   0.362   8.377   1.839
  391    HB3  LYS  36           HB1      LYS  36   0.876   9.944   2.420
  392    HG2  LYS  36           HG2      LYS  36   0.901   8.379   4.214
  393    HG3  LYS  36           HG1      LYS  36  -0.309   9.586   4.513
  394    HD2  LYS  36           HD2      LYS  36  -0.994   6.935   3.339
  395    HD3  LYS  36           HD1      LYS  36  -0.805   7.145   5.075
  396    HE2  LYS  36           HE2      LYS  36  -2.747   8.609   3.297
  397    HE3  LYS  36           HE1      LYS  36  -3.119   7.337   4.447
  398    HZ1  LYS  36           HZ1      LYS  36  -3.624   9.496   5.373
  399    HZ2  LYS  36           HZ2      LYS  36  -2.035  10.013   5.129
  400    HZ3  LYS  36           HZ3      LYS  36  -2.362   8.780   6.243
  401    H    LEU  37           HN       LEU  37  -0.439   9.836  -0.467
  402    HA   LEU  37           HA       LEU  37   0.677  12.454  -0.552
  403    HB2  LEU  37           HB2      LEU  37   0.042  10.869  -3.018
  404    HB3  LEU  37           HB1      LEU  37   1.408  11.934  -2.699
  405    HG   LEU  37           HG       LEU  37   1.048   9.278  -1.346
  406   HD11  LEU  37          HD11      LEU  37   2.569   9.922  -3.863
  407   HD12  LEU  37          HD12      LEU  37   1.175   8.853  -3.715
  408   HD13  LEU  37          HD13      LEU  37   2.704   8.419  -2.954
  409   HD21  LEU  37          HD21      LEU  37   3.450  11.051  -1.733
  410   HD22  LEU  37          HD22      LEU  37   3.451   9.472  -0.952
  411   HD23  LEU  37          HD23      LEU  37   2.569  10.815  -0.222
  412    H    HIS  38           HN       HIS  38  -2.309  10.909  -1.628
  413    HA   HIS  38           HA       HIS  38  -3.007  13.378  -3.068
  414    HB2  HIS  38           HB2      HIS  38  -3.294  10.512  -3.933
  415    HB3  HIS  38           HB1      HIS  38  -4.098  11.840  -4.755
  416    HD1  HIS  38           HD1      HIS  38  -2.025  10.210  -6.321
  417    HD2  HIS  38           HD2      HIS  38  -1.073  13.604  -4.125
  418    HE1  HIS  38           HE1      HIS  38   0.191  10.998  -7.207
  419    HE2  HIS  38           HE2      HIS  38   0.793  12.986  -5.795
  420    H    ASN  39           HN       ASN  39  -4.011  11.544  -0.525
  421    HA   ASN  39           HA       ASN  39  -5.950  11.505   0.714
  422    HB2  ASN  39           HB2      ASN  39  -5.774  13.970  -0.330
  423    HB3  ASN  39           HB1      ASN  39  -7.337  13.491  -0.960
  424   HD21  ASN  39          HD21      ASN  39  -7.795  11.775   1.487
  425   HD22  ASN  39          HD22      ASN  39  -8.211  12.907   2.721
  426    H    VAL  40           HN       VAL  40  -5.743   9.826  -1.682
  427    HA   VAL  40           HA       VAL  40  -8.515   9.073  -1.892
  428    HB   VAL  40           HB       VAL  40  -8.252   8.853  -4.474
  429   HG11  VAL  40          HG11      VAL  40  -8.832  11.502  -3.169
  430   HG12  VAL  40          HG12      VAL  40  -9.974  10.178  -3.407
  431   HG13  VAL  40          HG13      VAL  40  -9.314  11.036  -4.799
  432   HG21  VAL  40          HG21      VAL  40  -6.616  11.347  -4.120
  433   HG22  VAL  40          HG22      VAL  40  -6.934  10.426  -5.598
  434   HG23  VAL  40          HG23      VAL  40  -5.876   9.768  -4.359
  435    H    ASN  41           HN       ASN  41  -8.763   7.012  -3.103
  436    HA   ASN  41           HA       ASN  41  -6.813   5.169  -2.208
  437    HB2  ASN  41           HB2      ASN  41  -9.335   4.935  -3.787
  438    HB3  ASN  41           HB1      ASN  41  -8.192   3.611  -3.836
  439   HD21  ASN  41          HD21      ASN  41 -10.318   5.469  -1.838
  440   HD22  ASN  41          HD22      ASN  41 -10.362   4.372  -0.505
  441    H    ARG  42           HN       ARG  42  -5.732   3.567  -3.635
  442    HA   ARG  42           HA       ARG  42  -4.268   5.107  -5.615
  443    HB2  ARG  42           HB2      ARG  42  -3.263   3.761  -3.659
  444    HB3  ARG  42           HB1      ARG  42  -3.568   2.353  -4.637
  445    HG2  ARG  42           HG2      ARG  42  -1.894   4.674  -5.538
  446    HG3  ARG  42           HG1      ARG  42  -1.244   3.256  -4.727
  447    HD2  ARG  42           HD2      ARG  42  -2.234   1.887  -6.595
  448    HD3  ARG  42           HD1      ARG  42  -2.563   3.409  -7.425
  449    HE   ARG  42           HE       ARG  42   0.092   3.518  -6.719
  450   HH11  ARG  42          HH11      ARG  42  -1.911   1.467  -8.722
  451   HH12  ARG  42          HH12      ARG  42  -0.593   0.942  -9.721
  452   HH21  ARG  42          HH21      ARG  42   1.826   2.832  -8.028
  453   HH22  ARG  42          HH22      ARG  42   1.535   1.716  -9.324
  454    HA   PRO  43           HA       PRO  43  -6.676   2.935  -8.846
  455    HB2  PRO  43           HB2      PRO  43  -4.601   4.454 -10.377
  456    HB3  PRO  43           HB1      PRO  43  -6.328   4.262 -10.713
  457    HG2  PRO  43           HG2      PRO  43  -5.479   6.529  -9.681
  458    HG3  PRO  43           HG1      PRO  43  -6.946   5.768  -9.029
  459    HD2  PRO  43           HD2      PRO  43  -4.165   5.797  -7.905
  460    HD3  PRO  43           HD1      PRO  43  -5.753   6.005  -7.062
  461    H    LEU  44           HN       LEU  44  -6.208   0.902  -9.342
  462    HA   LEU  44           HA       LEU  44  -3.399   0.095  -9.457
  463    HB2  LEU  44           HB2      LEU  44  -5.665  -1.371  -8.097
  464    HB3  LEU  44           HB1      LEU  44  -4.017  -1.948  -8.226
  465    HG   LEU  44           HG       LEU  44  -4.514   0.661  -6.873
  466   HD11  LEU  44          HD11      LEU  44  -6.136  -0.867  -5.879
  467   HD12  LEU  44          HD12      LEU  44  -4.827  -0.501  -4.756
  468   HD13  LEU  44          HD13      LEU  44  -4.856  -2.047  -5.605
  469   HD21  LEU  44          HD21      LEU  44  -2.561   0.044  -5.623
  470   HD22  LEU  44          HD22      LEU  44  -2.221  -0.165  -7.345
  471   HD23  LEU  44          HD23      LEU  44  -2.567  -1.572  -6.335
  472    H    THR  45           HN       THR  45  -4.590  -2.717  -9.675
  473    HA   THR  45           HA       THR  45  -5.299  -4.167 -11.246
  474    HB   THR  45           HB       THR  45  -6.482  -1.875 -12.772
  475    HG1  THR  45           HG1      THR  45  -7.960  -3.334 -10.871
  476   HG21  THR  45          HG21      THR  45  -8.120  -3.525 -13.467
  477   HG22  THR  45          HG22      THR  45  -7.324  -4.749 -12.479
  478   HG23  THR  45          HG23      THR  45  -6.491  -4.062 -13.875
  479    H    MET  46           HN       MET  46  -5.034  -1.591 -13.537
  480    HA   MET  46           HA       MET  46  -3.772  -1.280 -15.395
  481    HB2  MET  46           HB2      MET  46  -2.115  -0.665 -13.679
  482    HB3  MET  46           HB1      MET  46  -1.564  -2.333 -13.620
  483    HG2  MET  46           HG2      MET  46  -0.079  -0.916 -14.947
  484    HG3  MET  46           HG1      MET  46  -0.802  -2.202 -15.908
  485    HE1  MET  46           HE1      MET  46  -0.881   1.641 -15.054
  486    HE2  MET  46           HE2      MET  46  -2.527   1.120 -14.701
  487    HE3  MET  46           HE3      MET  46  -2.215   2.191 -16.065
  488    H    LYS  47           HN       LYS  47  -4.862  -2.859 -16.593
  489    HA   LYS  47           HA       LYS  47  -5.026  -4.634 -17.987
  490    HB2  LYS  47           HB2      LYS  47  -2.498  -4.007 -18.315
  491    HB3  LYS  47           HB1      LYS  47  -2.207  -5.481 -17.401
  492    HG2  LYS  47           HG2      LYS  47  -2.099  -6.015 -19.718
  493    HG3  LYS  47           HG1      LYS  47  -3.591  -6.704 -19.076
  494    HD2  LYS  47           HD2      LYS  47  -4.807  -4.705 -19.922
  495    HD3  LYS  47           HD1      LYS  47  -3.307  -4.161 -20.670
  496    HE2  LYS  47           HE2      LYS  47  -3.241  -6.241 -21.984
  497    HE3  LYS  47           HE1      LYS  47  -4.777  -6.723 -21.265
  498    HZ1  LYS  47           HZ1      LYS  47  -4.319  -4.333 -22.961
  499    HZ2  LYS  47           HZ2      LYS  47  -5.791  -4.739 -22.240
  500    HZ3  LYS  47           HZ3      LYS  47  -5.124  -5.744 -23.424
  501    H    LYS  48           HN       LYS  48  -5.816  -4.817 -15.389
  502    HA   LYS  48           HA       LYS  48  -6.320  -6.157 -13.632
  503    HB2  LYS  48           HB2      LYS  48  -7.545  -7.188 -15.551
  504    HB3  LYS  48           HB1      LYS  48  -6.227  -8.343 -15.706
  505    HG2  LYS  48           HG2      LYS  48  -6.656  -9.159 -13.457
  506    HG3  LYS  48           HG1      LYS  48  -7.952  -7.980 -13.268
  507    HD2  LYS  48           HD2      LYS  48  -9.121  -9.031 -15.185
  508    HD3  LYS  48           HD1      LYS  48  -7.856 -10.261 -15.234
  509    HE2  LYS  48           HE2      LYS  48  -9.766 -11.106 -14.014
  510    HE3  LYS  48           HE1      LYS  48  -8.408 -10.881 -12.914
  511    HZ1  LYS  48           HZ1      LYS  48 -10.408 -10.057 -11.907
  512    HZ2  LYS  48           HZ2      LYS  48 -10.731  -9.066 -13.236
  513    HZ3  LYS  48           HZ3      LYS  48  -9.398  -8.747 -12.251
  514    H    GLU  49           HN       GLU  49  -4.080  -5.751 -12.767
  515    HA   GLU  49           HA       GLU  49  -2.999  -8.384 -12.092
  516    HB2  GLU  49           HB2      GLU  49  -1.311  -6.006 -12.876
  517    HB3  GLU  49           HB1      GLU  49  -0.682  -7.444 -12.089
  518    HG2  GLU  49           HG2      GLU  49  -1.619  -8.742 -14.055
  519    HG3  GLU  49           HG1      GLU  49  -1.828  -7.178 -14.846