*HEADER    CELL MOTILITY FACTOR                    26-OCT-00   1E9T
*TITLE     HIGH RESOLUTION SOLUTION STRUCTURE OF HUMAN INTESTINAL
*TITLE    2 TREFOIL FACTOR
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: INTESTINAL TREFOIL FACTOR;
*COMPND   3 CHAIN: A;
*COMPND   4 SYNONYM: HITF;
*COMPND   5 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE   3 ORGANISM_COMMON: HUMAN;
*SOURCE   4 EXPRESSION_SYSTEM: SACCHAROMYCES CEREVISIAE;
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: MT-663;
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PHW 1066;
*SOURCE   7 OTHER_DETAILS: RECOMBINANT HITF PRODUCED IN A YEAST
*SOURCE   8 EXPRESSION VECTOR.
*KEYWDS    INTESTINAL TREFOIL FACTOR, SOLUTION STRUCTURE, TREFOIL
*KEYWDS   2 DOMAIN, NMR SPECTROSCOPY, CELL MOTILITY FACTOR
*EXPDTA    NMR, 85 STRUCTURES
*AUTHOR    X.LEMERCINIER,F.MUSKETT,B.CHEESEMAN,P.MCINTOSH,M.CARR
*REVDAT   1   08-DEC-00 1E9T    0




  3 TYR  HN      3 TYR  HA      5.01   # peak   1667
  3 TYR  HN      3 TYR  QB      4.86   # peak   1668
  3 TYR  HN      3 TYR  QD      8.14   # peak   2095
  3 TYR  HA      3 TYR  QB      3.84   # peak   1670
  3 TYR  HA      3 TYR  QD      8.14   # peak   2511
  3 TYR  HA      4 VAL  HN      4.14   # peak   2152
  3 TYR  QB      3 TYR  QD      9.02   # peak   2505
  3 TYR  QB      3 TYR  QE      9.01   # peak   2506
  3 TYR  QB      4 VAL  HN      5.51   # peak   2151
  3 TYR  QD      3 TYR  QE     10.27   # peak   1035
  3 TYR  QD      4 VAL  HN      8.14   # peak   2156
  3 TYR  QD      4 VAL  HB      8.14   # peak   2501
  3 TYR  QD      4 VAL  QG1     9.17   # peak   2507
  3 TYR  QD      4 VAL  QG2     9.17   # peak   2929
  3 TYR  QD      5 GLY  HA1     8.14   # peak   2509
  3 TYR  QD      5 GLY  HA2     8.14   # peak   2941
  3 TYR  QE      4 VAL  HB      8.13   # peak   2502
  3 TYR  QE      4 VAL  QG1     9.16   # peak   2508
  3 TYR  QE      4 VAL  QG2     9.16   # peak   2930
  3 TYR  QE      5 GLY  HA1     8.13   # peak   2510
  3 TYR  QE      5 GLY  HA2     8.13   # peak   2942
  4 VAL  HN      4 VAL  HA      4.18   # peak    217
  4 VAL  HN      4 VAL  HB      3.68   # peak    328
  4 VAL  HN      4 VAL  QG1     6.65   # peak    340
  4 VAL  HN      4 VAL  QG2     6.65   # peak   2925
  4 VAL  HN      5 GLY  HN      4.86   # peak   2192
  4 VAL  HN      5 GLY  HA1     5.09   # peak   2162
  4 VAL  HN      5 GLY  HA2     5.09   # peak   2938
  4 VAL  HN      6 LEU  QQD     8.13   # peak   1839
  4 VAL  HN      9 ASN  QB      6.88   # peak   2973
  4 VAL  HA      4 VAL  HB      3.64   # peak    203
  4 VAL  HA      4 VAL  QG1     5.13   # peak    336
  4 VAL  HA      4 VAL  QG2     4.10   # peak   2921
  4 VAL  HA      5 GLY  HN      3.11   # peak   2191
  4 VAL  HA      6 LEU  HN      5.43   # peak   2194
  4 VAL  HB      4 VAL  QG1     4.41   # peak     80
  4 VAL  HB      4 VAL  QG2     5.32   # peak    335
  4 VAL  HB      5 GLY  HN      4.82   # peak   2190
  4 VAL  QG1     5 GLY  HN      7.03   # peak   2189
  4 VAL  QG1     5 GLY  HA1     7.03   # peak   2856
  4 VAL  QG1     5 GLY  HA2     7.03   # peak   2932
  4 VAL  QG1     6 LEU  HN      7.03   # peak   2195
  4 VAL  QG2     5 GLY  HN      7.03   # peak   2926
  4 VAL  QG2     5 GLY  HA1     6.72   # peak   2931
  4 VAL  QG2     5 GLY  HA2     6.65   # peak   2933
  4 VAL  QG2     6 LEU  HN      7.03   # peak   2927
  5 GLY  HN      5 GLY  HA1     3.53   # peak   1645
  5 GLY  HN      5 GLY  HA2     3.45   # peak   1557
  5 GLY  HN      6 LEU  HB2     6.00   # peak   2971
  5 GLY  HN      6 LEU  HG      6.00   # peak   2972
  5 GLY  HN     10 GLN  HB3     6.00   # peak   2970
  5 GLY  HA1     6 LEU  HN      3.15   # peak   2193
  5 GLY  HA1     6 LEU  HA      5.00   # peak   2858 was 4.02 ov
  5 GLY  HA1     6 LEU  HB3     5.00   # peak   2857 was 4.02 ov
  5 GLY  HA1     6 LEU  QQD     7.98   # peak   2855
  5 GLY  HA2     6 LEU  HN      3.38   # peak   2940
  5 GLY  HA2     6 LEU  HA      5.00   # peak   2937 was 4.14 ov
  5 GLY  HA2     6 LEU  HB3     5.00   # peak   2936 was 4.18 ov
  5 GLY  HA2     6 LEU  QQD     8.13   # peak   2935
  6 LEU  HN      6 LEU  HA      3.91   # peak    365
  6 LEU  HN      6 LEU  HB2     3.26   # peak    186
  6 LEU  HN      6 LEU  HB3     3.72   # peak    366
  6 LEU  HN      6 LEU  HG      3.76   # peak    363
  6 LEU  HN      6 LEU  QQD     8.13   # peak    374
  6 LEU  HA      6 LEU  HB2     2.66   # peak    185
  6 LEU  HA      6 LEU  HB3     3.00   # peak    187
  6 LEU  HA      6 LEU  QQD     5.47   # peak    373
  6 LEU  HB2     6 LEU  QQD     5.36   # peak   1804
  6 LEU  HB3     6 LEU  QQD     6.12   # peak    384
  6 LEU  HG      6 LEU  QQD     4.48   # peak     69
  6 LEU  QQD    10 GLN  HE21    8.13   # peak   2966
#  6 LEU  HG     32 ASN  HA      6.00   # peak   2629 miss QB28->32HA
#  6 LEU  QQD    32 ASN  HN      8.13   # peak   2127
  7 SER  HN      7 SER  HA      3.30   # peak   1433
  7 SER  HN      7 SER  HB2     4.10   # peak   1434
  7 SER  HN      7 SER  HB3     4.44   # peak   1435
  7 SER  HA      7 SER  HB2     2.43   # peak   1385
  7 SER  HA      7 SER  HB3     2.66   # peak   1386
  7 SER  HA      8 ALA  HN      3.57   # peak   2037
  7 SER  HA      8 ALA  QB      5.58   # peak   2730
  7 SER  HB2     7 SER  HB3     2.58   # peak   1389
  7 SER  HB3     8 ALA  QB      7.03   # peak   2731
  7 SER  HB3    10 GLN  HN      6.00   # peak   2185
  8 ALA  HN      8 ALA  HA      4.10   # peak   2182
  8 ALA  HN      8 ALA  QB      6.08   # peak   1005
  8 ALA  HN     12 ALA  HA      6.00   # peak   2981
  8 ALA  HA      8 ALA  QB      3.76   # peak   1003
  8 ALA  HA      9 ASN  HN      4.86   # peak   2318
  8 ALA  HA     10 GLN  HN      6.00   # peak   2279
  8 ALA  HA     11 CYSS HA      6.00   # peak   2594
  8 ALA  HA     11 CYSS HB2     4.78   # peak   2823
  8 ALA  HA     11 CYSS HB3     5.01   # peak   1843
  8 ALA  HA     12 ALA  HN      6.00   # peak   2990
  8 ALA  QB      9 ASN  HN      6.53   # peak   2098
  9 ASN  HN      9 ASN  HA      4.71   # peak   1666
  9 ASN  HN      9 ASN  QB      5.28   # peak   1728
  9 ASN  HA     10 GLN  HN      3.49   # peak   2180
  9 ASN  HA     12 ALA  HN      4.10   # peak   2289
  9 ASN  QB     10 GLN  HN      4.90   # peak   2183
 10 GLN  HN     10 GLN  HA      3.45   # peak   1565
 10 GLN  HN     10 GLN  HB2     3.34   # peak   1567
 10 GLN  HN     10 GLN  HB3     3.38   # peak   2170
 10 GLN  HN     10 GLN  QG      5.66   # peak   2177
 10 GLN  HN     11 CYSS HN      3.34   # peak   2179
 10 GLN  HN     11 CYSS HA      6.00   # peak   2184
 10 GLN  HN     11 CYSS HB2     6.00   # peak   2977
 10 GLN  HN     12 ALA  HN      5.32   # peak   2178
 10 GLN  HN     12 ALA  QB      7.03   # peak   2467
 10 GLN  HN     52 LEU  HB3     6.00   # peak   2969
 10 GLN  HA     10 GLN  HB2     2.62   # peak   1598
 10 GLN  HA     10 GLN  QG      4.94   # peak   1597
 10 GLN  HA     10 GLN  HE21    6.00   # peak   2347
 10 GLN  HA     10 GLN  HE22    6.00   # peak   2346
 10 GLN  HA     11 CYSS HN      3.83   # peak   2248
 10 GLN  HA     11 CYSS HA      6.00   # peak ov with 2595
 10 GLN  HA     12 ALA  HN      3.95   # peak   2290
 10 GLN  HA     51 PRO  HA      4.48   # peak   2672
 10 GLN  HA     52 LEU  QD1     3.72   # peak   2790
 10 GLN  HB2    10 GLN  QG      4.90   # peak   1794
 10 GLN  HB2    10 GLN  HE21    6.00   # peak   2344
 10 GLN  HB2    10 GLN  HE22    6.00   # peak   2339
 10 GLN  HB3    10 GLN  HE21    6.00   # peak   2343
 10 GLN  HB3    10 GLN  HE22    6.00   # peak   2338
 10 GLN  HB3    11 CYSS HN      4.06   # peak   2246
 10 GLN  HB3    52 LEU  HN      4.75   # peak   1990
 10 GLN  QG     10 GLN  HE21    5.74   # peak   2345
 10 GLN  QG     10 GLN  HE22    6.15   # peak   2340
 10 GLN  QG     11 CYSS HN      6.88   # peak   2249
 10 GLN  QG     52 LEU  HN      6.88   # peak   1991
 10 GLN  HE21   10 GLN  HE22    2.24   # peak   1761
 11 CYSS HN     52 LEU  HN      6.00   # peak   1466
 11 CYSS HN     11 CYSS HA      3.64   # peak   1439
 11 CYSS HN     11 CYSS HB2     3.23   # peak   1442
 11 CYSS HN     11 CYSS HB3     3.57   # peak   1440
 11 CYSS HN     12 ALA  HN      2.88   # peak   2250
 11 CYSS HA     11 CYSS HB2     3.53   # peak   1213
 11 CYSS HA     11 CYSS HB3     2.88   # peak   1392
 11 CYSS HA     12 ALA  HN      3.61   # peak   2292
 11 CYSS HA     12 ALA  QB      7.03   # peak   2588
 11 CYSS HA     13 VAL  HB      5.70   # peak   2590
 11 CYSS HA     13 VAL  QG2     5.24   # peak   2587
 11 CYSS HA     37 CYSS HB2     6.00   # peak   2586
 11 CYSS HA     37 CYSS HB3     5.28   # peak   2593
# 11 CYSS HA     42 ILE  QD1     7.03   # peak   2584
## 11 CYSS HA     49 PHE  HD1     6.00   # peak   2418 was 5.66 ov remove temp
 11 CYSS HA     49 PHE  HE1     6.00   # peak   2995
 11 CYSS HA     49 PHE  HZ      4.67   # peak   2422
 11 CYSS HA     49 PHE  HD2     6.00   # peak   2375
 11 CYSS HA     51 PRO  HA      3.49   # peak   2597
 11 CYSS HA     52 LEU  HN      4.02   # peak   1994
 11 CYSS HA     52 LEU  HA      6.00   # peak   2595 was 5.01 ov
 11 CYSS HA     52 LEU  HB2     6.00   # peak   2591
 11 CYSS HA     52 LEU  HB3     6.00   # peak   2589
 11 CYSS HB2    11 CYSS HB3     2.58   # peak   1394
 11 CYSS HB2    12 ALA  QB      6.00   # peak   2996
 11 CYSS HB2    13 VAL  QG2     7.03   # peak   2601
 11 CYSS HB2    37 CYSS HB3     3.83   # peak   2603
# 11 CYSS HB2    42 ILE  QD1     7.03   # peak   2602
 11 CYSS HB2    49 PHE  HZ      3.83   # peak   2955
 11 CYSS HB3    13 VAL  QG2     7.03   # peak   2598
 11 CYSS HB3    37 CYSS HB2     4.25   # peak   2914
 11 CYSS HB3    37 CYSS HB3     4.67   # peak   2600
 11 CYSS HB3    49 PHE  HD1     6.00   # peak   2963 was 4.82 ov
 11 CYSS HB3    49 PHE  HE1     4.97   # peak   2988
 12 ALA  HN     12 ALA  HA      3.30   # peak   1028
 12 ALA  HN     12 ALA  QB      4.22   # peak   1027
 12 ALA  HN     13 VAL  QG1     5.77   # peak   2291
 12 ALA  HN     51 PRO  HA      5.20   # peak   2989
 12 ALA  HA     12 ALA  QB      3.27   # peak   1025
 12 ALA  HA     13 VAL  HN      3.00   # peak   2258
 12 ALA  HA     13 VAL  QG1     7.03   # peak   2713 was 6.23 ov
 12 ALA  HA     13 VAL  QG2     7.03   # peak   2714
 12 ALA  QB     13 VAL  HN      5.01   # peak   2255
 13 VAL  HN     13 VAL  HA      3.45   # peak     46
 13 VAL  HN     13 VAL  HB      3.26   # peak     45
 13 VAL  HN     13 VAL  QG1     5.43   # peak     43
 13 VAL  HN     13 VAL  QG2     4.79   # peak     44
 13 VAL  HN     14 PRO  HD2     6.00   # peak   2423
 13 VAL  HN     18 ARG+ HG3     6.00   # peak   2965
 13 VAL  HN     18 ARG+ HE      6.00   # peak   2257
 13 VAL  HA     13 VAL  HB      3.57   # peak    141
 13 VAL  HA     13 VAL  QG1     3.65   # peak     36
 13 VAL  HA     13 VAL  QG2     3.95   # peak     37
 13 VAL  HA     14 PRO  HD2     4.29   # peak   2747
 13 VAL  HA     14 PRO  HD3     3.38   # peak   2746
 13 VAL  HA     52 LEU  HB2     3.42   # peak   2745
 13 VAL  HB     13 VAL  QG1     3.34   # peak     12
 13 VAL  HB     13 VAL  QG2     3.34   # peak     15
 13 VAL  HB     19 VAL  HN      6.00   # peak   1890
 13 VAL  HB     49 PHE  HD1     6.00   # peak   2403 was 3.64 ov
 13 VAL  HB     49 PHE  HZ      5.00   # peak   2402 was 3.71 ov
 13 VAL  HB     49 PHE  HD2     4.82   # peak   2368 
 13 VAL  QG1    13 VAL  QG2     5.05   # peak     14
 13 VAL  QG1    14 PRO  HD2     3.91   # peak   2784
 13 VAL  QG1    14 PRO  HD3     4.06   # peak   2786
 13 VAL  QG1    15 ALA  HA      7.03   # peak   2905
 13 VAL  QG1    17 ASP- HN      7.03   # peak   2367
 13 VAL  QG1    17 ASP- HA      7.03   # peak   2656 was 6.50 ov
 13 VAL  QG1    17 ASP- HB2     4.03   # peak   2664
 13 VAL  QG1    17 ASP- HB3     7.03   # peak   2662
 13 VAL  QG1    18 ARG+ HN      5.39   # peak   2307
 13 VAL  QG1    18 ARG+ HE      7.03   # peak   2579
 13 VAL  QG1    19 VAL  HN      6.31   # peak   1888
 13 VAL  QG1    49 PHE  HD1     7.03   # peak   2394 was 6.08 ov
 13 VAL  QG1    49 PHE  HZ      7.03   # peak   2393
 13 VAL  QG1    49 PHE  HD2     7.03   # peak   2366
 13 VAL  QG1    51 PRO  HA      7.03   # peak   2655 was 6.19 ov
 13 VAL  QG1    53 GLN  HN      5.55   # peak   2075
 13 VAL  QG1    53 GLN  HE21    7.03   # peak   2355
 13 VAL  QG1    53 GLN  HE22    7.03   # peak   2356
 13 VAL  QG2    14 PRO  HD2     5.13   # peak   2785
 13 VAL  QG2    14 PRO  HD3     5.62   # peak   2787
 13 VAL  QG2    15 ALA  HA      7.03   # peak   2912
 13 VAL  QG2    17 ASP- HA      7.03   # peak   2660 was 6.08 ov
 13 VAL  QG2    17 ASP- HB3     7.03   # peak   2663
 13 VAL  QG2    49 PHE  HD1     7.03   # peak   2397 was 4.33 ov
 13 VAL  QG2    49 PHE  HZ      4.94   # peak   2393
 13 VAL  QG2    49 PHE  HD2     5.09   # peak   2367
 13 VAL  QG2    51 PRO  HA      4.67   # peak   2644
 13 VAL  QG2    52 LEU  HN      5.13   # peak   1987
 13 VAL  QG2    52 LEU  HA      3.95   # peak   2771
 13 VAL  QG2    52 LEU  HB2     4.60   # peak   2774
 13 VAL  QG2    52 LEU  HB3     4.37   # peak   2777
 13 VAL  QG2    53 GLN  HN      7.03   # peak   2076
 13 VAL  QG2    53 GLN  HE21    7.03   # peak   2350
 13 VAL  QG2    53 GLN  HE22    7.03   # peak   2351
 14 PRO  HA     14 PRO  QB      3.53   # peak   2782
 14 PRO  HA     14 PRO  HG3     3.04   # peak   2781
 14 PRO  HA     14 PRO  HG2     2.81   # peak   2780
 14 PRO  HA     14 PRO  HD2     4.67   # peak    298
 14 PRO  HA     14 PRO  HD3     3.57   # peak    299
 14 PRO  HA     15 ALA  QB      4.86   # peak   2779
 14 PRO  QB     14 PRO  HG3     3.65   # peak   2783
 14 PRO  QB     14 PRO  HG2     3.08   # peak   1858
 14 PRO  QB     14 PRO  HD2     4.75   # peak   1818
 14 PRO  QB     14 PRO  HD3     4.79   # peak   2788
 14 PRO  QB     16 LYS+ HN      6.88   # peak   1735
 14 PRO  HG3    15 ALA  HN      6.00   # peak   2040
 14 PRO  HG3    16 LYS+ HN      6.00   # peak   2967
 14 PRO  HG2    15 ALA  HN      5.20   # peak   2032
 14 PRO  HD2    14 PRO  HD3     2.28   # peak   1837
 14 PRO  HD3    16 LYS+ HN      6.00   # peak   1730
 14 PRO  HD3    17 ASP- HN      6.00   # peak   2374
 15 ALA  HN     15 ALA  HA      3.26   # peak   2034
 15 ALA  HN     15 ALA  QB      4.41   # peak   2031
 15 ALA  HN     16 LYS+ HN      4.48   # peak   2041
 15 ALA  HN     18 ARG+ HA      6.00   # peak   2035 was 2.92 ov 
 15 ALA  HN     18 ARG+ HD3     4.67   # peak   2033
 15 ALA  HN     18 ARG+ HE      6.00   # peak   2036
 15 ALA  HA     15 ALA  QB      3.72   # peak   1023
 15 ALA  HA     16 LYS+ HN      3.95   # peak   2105
 15 ALA  HA     17 ASP- HN      4.59   # peak   2206
 15 ALA  HN     17 ASP- HA      6.00   # peak   1571
 15 ALA  HA     18 ARG+ HN      3.57   # peak   2311
 15 ALA  HA     18 ARG+ HA      6.00   # peak   2751 was 3.30 ov
 15 ALA  HA     18 ARG+ HB2     4.25   # peak   2906
 15 ALA  HA     18 ARG+ HG2     4.59   # peak   2907
 15 ALA  HA     18 ARG+ HG3     4.18   # peak   2900
 15 ALA  HA     18 ARG+ HD3     4.78   # peak   2911
 15 ALA  HA     18 ARG+ HD2     4.86   # peak   2908
 15 ALA  HA     18 ARG+ HE      5.24   # peak   2581
# 15 ALA  HA     42 ILE  QG2     7.03   # peak   2904
# 15 ALA  HA     42 ILE  QD1     5.81   # peak   2902
 15 ALA  HA     45 VAL  HB      4.59   # peak   2910
 15 ALA  HA     45 VAL  QG2     6.27   # peak   2901
 15 ALA  HA     45 VAL  QG1     7.03   # peak   2903
 15 ALA  HA     46 PRO  HG2     6.00   # peak   2909 was 5.13 ov
 15 ALA  HA     49 PHE  HZ      6.00   # peak   2956
 15 ALA  QB     18 ARG+ HG3     7.03   # peak   2895
 15 ALA  QB     18 ARG+ HD3     6.00   # peak   2761 was 4.56 ov
 15 ALA  QB     18 ARG+ HE      6.00   # peak   2580
# 15 ALA  QB     42 ILE  QG2     8.06   # peak   2899
# 15 ALA  QB     42 ILE  QD1     5.81   # peak   2897
 15 ALA  QB     45 VAL  HN      7.03   # peak   2444
 15 ALA  QB     45 VAL  HA      5.77   # peak   2674
 15 ALA  QB     45 VAL  HB      5.36   # peak   2684
 15 ALA  QB     45 VAL  QG2     8.06   # peak   2896
 15 ALA  QB     45 VAL  QG1     7.75   # peak   2898
 16 LYS+ HN     16 LYS+ HA      3.00   # peak   1273
 16 LYS+ HN     16 LYS+ HB2     3.50   # peak   1325 was 3.00 ov
 16 LYS+ HN     16 LYS+ HB3     3.07   # peak   1274
 16 LYS+ HN     16 LYS+ HG3     3.00   # peak   2102
 16 LYS+ HN     16 LYS+ HG2     4.25   # peak   1275
 16 LYS+ HN     16 LYS+ HD2     5.16   # peak   2103
 16 LYS+ HN     17 ASP- HN      3.15   # peak   2108
 16 LYS+ HN     17 ASP- HA      5.00   # peak   2110 was 4.10 ov
 16 LYS+ HN     17 ASP- HB3     4.14   # peak   2109
 16 LYS+ HN     18 ARG+ HN      4.44   # peak   2107
 16 LYS+ HN     42 ILE  QD1     7.03   # peak   2963
 16 LYS+ HN     45 VAL  QG1     7.03   # peak   2101
 16 LYS+ HA     16 LYS+ HB2     2.31   # peak   1314
 16 LYS+ HA     16 LYS+ HB3     2.58   # peak   1312
 16 LYS+ HA     16 LYS+ HG3     4.14   # peak   1307
 16 LYS+ HA     16 LYS+ HG2     5.35   # peak   1309
 16 LYS+ HA     16 LYS+ HD2     4.10   # peak   1316
 16 LYS+ HA     16 LYS+ HE2     6.00   # peak   1310
 16 LYS+ HA     16 LYS+ HE3     6.00   # peak   1311
 16 LYS+ HA     17 ASP- HN      3.80   # peak   2208
 16 LYS+ HA     17 ASP- HA      6.00   # peak   2658
 16 LYS+ HA     17 ASP- HB3     5.00   # peak   2826 was 3.64 ov
 16 LYS+ HA     18 ARG+ HN      4.06   # peak   2314
 16 LYS+ HA     45 VAL  QG2     7.03   # peak   2824
 16 LYS+ HA     45 VAL  QG1     6.00   # peak   2825 was 5.28 ov
 16 LYS+ HB2    16 LYS+ HG2     3.99   # peak   1348
 16 LYS+ HB2    16 LYS+ HE2     6.00   # peak   1302
 16 LYS+ HB2    16 LYS+ HE3     5.43   # peak   1301
 16 LYS+ HB2    17 ASP- HA      4.78   # peak   2668
 16 LYS+ HB3    16 LYS+ HG3     2.62   # peak   1346
 16 LYS+ HB3    16 LYS+ HG2     3.38   # peak   1344
 16 LYS+ HB3    16 LYS+ HE2     6.00   # peak   1333
 16 LYS+ HB3    16 LYS+ HE3     6.00   # peak   1334
 16 LYS+ HB3    17 ASP- HA      6.00   # peak   2667
 16 LYS+ HG3    16 LYS+ HG2     2.20   # peak   1341
 16 LYS+ HG3    16 LYS+ HE2     6.00   # peak   1330
 16 LYS+ HG3    16 LYS+ HE3     4.40   # peak   1326
 16 LYS+ HG3    17 ASP- HN      4.63   # peak   2203
 16 LYS+ HG3    17 ASP- HA      6.00   # peak   2657
 16 LYS+ HG3    18 ARG+ HN      6.00   # peak   2308
 16 LYS+ HG2    16 LYS+ HD2     4.02   # peak   1342
 16 LYS+ HG2    16 LYS+ HE2     6.00   # peak   1328
 16 LYS+ HG2    16 LYS+ HE3     4.86   # peak   1327
 16 LYS+ HG2    17 ASP- HN      6.00   # peak   2202
 16 LYS+ HG2    17 ASP- HA      6.00   # peak   2659
 16 LYS+ HD2    16 LYS+ HE2     6.00   # peak   1306
 16 LYS+ HD2    16 LYS+ HE3     3.83   # peak   1305
 16 LYS+ HD2    17 ASP- HA      6.00   # peak   2666
 17 ASP- HN     17 ASP- HA      3.45   # peak   1503
 17 ASP- HN     17 ASP- HB2     3.26   # peak   1741
 17 ASP- HN     17 ASP- HB3     3.23   # peak   1504
 17 ASP- HN     18 ARG+ HN      3.15   # peak   2210
 17 ASP- HN     18 ARG+ HA      4.63   # peak   2209
 17 ASP- HN     18 ARG+ HB2     4.94   # peak   2204
 17 ASP- HN     18 ARG+ HB3     5.85   # peak   2201
 17 ASP- HN     18 ARG+ HG3     6.00   # peak   2199
 17 ASP- HN     18 ARG+ HD3     4.44   # peak   2211
 17 ASP- HA     17 ASP- HB2     2.81   # peak   1730
 17 ASP- HA     17 ASP- HB3     2.58   # peak   1731
 17 ASP- HA     18 ARG+ HN      3.38   # peak   2315
 17 ASP- HA     53 GLN  HE22    6.00   # peak   2988
 17 ASP- HB2    17 ASP- HB3     2.28   # peak   1733
 17 ASP- HB3    18 ARG+ HN      3.53   # peak   2313
 17 ASP- HB3    18 ARG+ HA      5.00   # peak   2754 was 3.42 ov
 18 ARG+ HN     18 ARG+ HA      3.26   # peak   1074
 18 ARG+ HN     18 ARG+ HB2     2.96   # peak   1076
 18 ARG+ HN     18 ARG+ HB3     3.50   # peak   1077 was 3.26 ov
 18 ARG+ HN     18 ARG+ HG2     3.49   # peak   1075
 18 ARG+ HN     18 ARG+ HG3     4.40   # peak   1078
 18 ARG+ HN     18 ARG+ HD3     6.00   # peak   2457
 18 ARG+ HN     18 ARG+ HD2     4.14   # peak   2309
 18 ARG+ HN     18 ARG+ HE      5.62   # peak   2316
 18 ARG+ HN     19 VAL  HN      5.01   # peak   1892
 18 ARG+ HN     45 VAL  HB      6.00   # peak   2312
 18 ARG+ HN     45 VAL  QG2     7.03   # peak   2305
 18 ARG+ HN     45 VAL  QG1     7.03   # peak   2306
 18 ARG+ HN     46 PRO  HD2     6.00   # peak   2998
 18 ARG+ HA     18 ARG+ HB2     3.38   # peak   1098
 18 ARG+ HA     18 ARG+ HB3     3.45   # peak   2758
 18 ARG+ HA     18 ARG+ HG3     3.23   # peak   1079
 18 ARG+ HA     18 ARG+ HD2     4.67   # peak   2757
 18 ARG+ HA     18 ARG+ HE      6.00   # peak   2582
 18 ARG+ HA     19 VAL  HN      3.50   # peak   1861 was 3.38 ov with 52ha
 18 ARG+ HA     49 PHE  HA      5.00   # peak   2566 sov was 4.37
 18 ARG+ HA     49 PHE  HB2     5.24   # peak   2752
 18 ARG+ HA     49 PHE  HB3     6.00   # peak   2755
 18 ARG+ HA     49 PHE  HD1     6.00   # peak   2960 was 5.58 ov
 18 ARG+ HA     49 PHE  HD2     6.00   # peak   2965
 18 ARG+ HB2    18 ARG+ HB3     2.96   # peak   1102
 18 ARG+ HB2    18 ARG+ HG3     3.95   # peak   1084
 18 ARG+ HB2    18 ARG+ HD3     4.00   # peak   2763 was 3.76 sov
 18 ARG+ HB2    18 ARG+ HE      6.00   # peak   1110
 18 ARG+ HB2    19 VAL  HN      4.78   # peak   1863
 18 ARG+ HB2    20 ASP- HA      5.00   # peak   2718 was 3.99 ov
 18 ARG+ HB2    45 VAL  HA      5.43   # peak   2675
 18 ARG+ HB2    45 VAL  QG2     7.03   # peak   2768
 18 ARG+ HB2    46 PRO  HG2     5.43   # peak   2794
 18 ARG+ HB2    46 PRO  HD2     4.86   # peak   2809
 18 ARG+ HB2    46 PRO  HD3     4.25   # peak   2810
 18 ARG+ HB2    49 PHE  HA      6.00   # peak   2565
 18 ARG+ HB2    49 PHE  HB2     4.18   # peak   2575
 18 ARG+ HB2    49 PHE  HB3     5.13   # peak   2571
 18 ARG+ HB3    18 ARG+ HG2     3.64   # peak   1116
 18 ARG+ HB3    18 ARG+ HG3     4.06   # peak   1081
 18 ARG+ HB3    18 ARG+ HD3     3.99   # peak   1851
 18 ARG+ HB3    18 ARG+ HD2     3.99   # peak   2767
 18 ARG+ HB3    18 ARG+ HE      6.00   # peak   1111
 18 ARG+ HB3    19 VAL  HN      4.56   # peak   1862
 18 ARG+ HB3    45 VAL  HA      6.00   # peak   2673
 18 ARG+ HB3    45 VAL  QG2     7.03   # peak   2769
 18 ARG+ HB3    45 VAL  QG1     7.03   # peak   2770
 18 ARG+ HB3    49 PHE  HA      5.43   # peak   2558
 18 ARG+ HB3    49 PHE  HB3     4.29   # peak   2570
 18 ARG+ HG2    18 ARG+ HG3     2.85   # peak   1086
 18 ARG+ HG2    18 ARG+ HE      5.70   # peak   1109
 18 ARG+ HG2    19 VAL  HN      6.00   # peak   1864
 18 ARG+ HG2    49 PHE  HA      6.00   # peak   2559 was 4.37 ov
 18 ARG+ HG2    49 PHE  HB3     3.49   # peak   2572
 18 ARG+ HG2    49 PHE  HD1     5.39   # peak   2400
 18 ARG+ HG2    49 PHE  HD2     6.00   # peak   2405
 18 ARG+ HG3    18 ARG+ HD3     3.23   # peak   1082
 18 ARG+ HG3    18 ARG+ HD2     2.81   # peak   1083
 18 ARG+ HG3    18 ARG+ HE      6.00   # peak   1087
 18 ARG+ HG3    19 VAL  HN      6.00   # peak   1889
 18 ARG+ HG3    49 PHE  HB2     6.00   # peak   2576
 18 ARG+ HG3    49 PHE  HB3     6.00   # peak   2569
 18 ARG+ HG3    49 PHE  HZ      6.00   # peak   2978
 18 ARG+ HD3    18 ARG+ HD2     2.20   # peak   1119
 18 ARG+ HD3    18 ARG+ HE      6.00   # peak   1106
 18 ARG+ HD3    19 VAL  HN      6.00   # peak   1291
 18 ARG+ HD3    45 VAL  QG2     5.89   # peak   2759
 18 ARG+ HD3    45 VAL  QG1     7.03   # peak   2760 was 5.93 ov
 18 ARG+ HD3    49 PHE  HE1     6.00   # peak   2994
 18 ARG+ HD3    49 PHE  HD2     6.00   # peak   2369
 18 ARG+ HD2    18 ARG+ HE      6.00   # peak   1108
 18 ARG+ HD2    45 VAL  QG2     6.00   # peak   2764
 18 ARG+ HD2    45 VAL  QG1     7.03   # peak   2765 was 6.19 ov
 18 ARG+ HD2    47 TRP  HA      6.00   # peak   2607
## 18 ARG+ HD2    47 TRP  HD1     6.50   # peak   2974 was 4.89 ov
 18 ARG+ HD2    49 PHE  HA      5.16   # peak   2560
 18 ARG+ HD2    49 PHE  HB3     3.49   # peak   2573
 18 ARG+ HE     45 VAL  QG2     7.03   # peak   2578
 19 VAL  HN     19 VAL  HA      3.68   # peak     49
 19 VAL  HN     19 VAL  HB      3.64   # peak    133
 19 VAL  HN     19 VAL  QG1     5.66   # peak     48
 19 VAL  HN     19 VAL  QG2     5.66   # peak     47
 19 VAL  HN     20 ASP- HN      5.51   # peak   1894
 19 VAL  HN     20 ASP- HB3     6.00   # peak   1253
 19 VAL  HN     49 PHE  HA      6.00   # peak   1255
 19 VAL  HN     49 PHE  HB2     6.00   # peak   1866
 19 VAL  HN     50 LYS+ HN      6.00   # peak   1293
 19 VAL  HN     52 LEU  HA      6.00   # ov with 18ha
 19 VAL  HA     19 VAL  HB      3.11   # peak     50
 19 VAL  HA     19 VAL  QG1     3.68   # peak     23
 19 VAL  HA     19 VAL  QG2     3.57   # peak     20
 19 VAL  HA     20 ASP- HN      3.50   # peak   1986 was 2.54 ov
 19 VAL  HA     20 ASP- HB2     4.40   # peak   2812
 19 VAL  HA     20 ASP- HB3     6.00   # peak   2811
 19 VAL  HA     46 PRO  HG3     6.00   # peak   2813
 19 VAL  HB     19 VAL  QG1     3.34   # peak     16
 19 VAL  HB     19 VAL  QG2     3.65   # peak     85
 19 VAL  HB     20 ASP- HN      3.72   # peak   1979
 19 VAL  HB     49 PHE  HA      5.92   # peak   2561
 19 VAL  QG1    50 LYS+ HN      7.03   # peak   1608
 19 VAL  QG2    20 ASP- HN      4.44   # peak   1975
 19 VAL  QG2    20 ASP- HA      6.34   # peak   2727
 19 VAL  QG2    21 CYSS HN      7.03   # peak   1942
 19 VAL  QG2    21 CYSS HA      5.74   # peak   2732
 19 VAL  QG2    49 PHE  HA      7.03   # peak   2557
 19 VAL  QG2    49 PHE  HB3     5.58   # peak   2577
 20 ASP- HN     20 ASP- HA      3.34   # peak   1508
 20 ASP- HN     20 ASP- HB2     2.85   # peak   1509
 20 ASP- HN     20 ASP- HB3     3.50   # peak   1510
 20 ASP- HN     21 CYSS HN      4.67   # peak   1952
 20 ASP- HN     46 PRO  HB2     6.00   # peak   1980
 20 ASP- HN     46 PRO  HB3     6.00   # peak   1976
 20 ASP- HN     46 PRO  HG2     5.24   # peak   1978
 20 ASP- HN     46 PRO  HG3     5.16   # peak   1977
 20 ASP- HN     46 PRO  HD2     6.00   # peak   1984
 20 ASP- HN     46 PRO  HD3     6.00   # peak   1982
 20 ASP- HN     49 PHE  HA      5.35   # peak   1985
 20 ASP- HN     49 PHE  HB2     6.00   # peak   1981
 20 ASP- HN     49 PHE  HB3     6.00   # peak ov with 1510
 20 ASP- HA     20 ASP- HB2     3.15   # peak   1506
 20 ASP- HA     20 ASP- HB3     2.66   # peak   1507
 20 ASP- HA     21 CYSS HN      2.73   # peak   1940
 20 ASP- HA     22 GLY  HN      3.53   # peak   1962
 20 ASP- HA     46 PRO  HB2     3.87   # peak   2723
 20 ASP- HA     46 PRO  HB3     3.95   # peak   2719
 20 ASP- HA     46 PRO  HG2     3.99   # peak   2721
 20 ASP- HA     46 PRO  HG3     4.56   # peak   2720
 20 ASP- HA     49 PHE  HA      3.00   # peak   2568
 20 ASP- HA     49 PHE  HB2     4.90   # peak   2717
 20 ASP- HB2    20 ASP- HB3     2.20   # peak   1516
 20 ASP- HB2    21 CYSS HN      4.21   # peak   1937
 20 ASP- HB2    22 GLY  HN      4.59   # peak   1958
 20 ASP- HB2    46 PRO  HA      5.39   # peak   2808
 20 ASP- HB2    46 PRO  HB2     3.95   # peak   2725
 20 ASP- HB2    46 PRO  HG2     4.29   # peak   2724
 20 ASP- HB3    21 CYSS HN      6.00   # peak   1337
 20 ASP- HB3    22 GLY  HN      6.00   # peak   1371
 20 ASP- HB3    46 PRO  HA      6.00   # peak   2807 was 4.63 ov
 20 ASP- HB3    46 PRO  HD2     5.73   # peak   2795
 20 ASP- HB3    46 PRO  HD3     5.89   # peak   2796
 21 CYSS HN     21 CYSS HA      3.38   # peak   1456
 21 CYSS HN     21 CYSS HB3     3.15   # peak   1457
 21 CYSS HN     21 CYSS HB2     3.23   # peak   1458
 21 CYSS HN     22 GLY  QA      5.43   # peak   1954
 21 CYSS HN     23 TYR  HN      6.00   # peak   1950
 21 CYSS HN     23 TYR  HB2     6.00   # peak   2948
 21 CYSS HN     23 TYR  QD      8.14   # peak   1949
 21 CYSS HN     46 PRO  HB2     6.00   # peak   1345
 21 CYSS HN     46 PRO  HB3     6.00   # peak   1343
 21 CYSS HN     46 PRO  HG3     6.00   # peak   1344
 21 CYSS HN     48 CYSS HA      6.00   # peak   2985
 21 CYSS HN     48 CYSS HB2     6.00   # peak   1939
 21 CYSS HN     49 PHE  HN      6.00   # peak   1910
 21 CYSS HN     49 PHE  HA      3.11   # peak   1947
 21 CYSS HN     49 PHE  HB2     5.73   # peak   1938
 21 CYSS HN     50 LYS+ HN      4.40   # peak   1951
 21 CYSS HN     50 LYS+ HB2     6.00   # peak   1955
 21 CYSS HA     21 CYSS HB3     2.70   # peak   1416 was 2.66 sov
 21 CYSS HA     21 CYSS HB2     2.81   # peak   1417
 21 CYSS HA     22 GLY  HN      3.72   # peak   1961
 21 CYSS HA     49 PHE  HA      4.48   # peak   2567
 21 CYSS HA     50 LYS+ HN      5.28   # peak   2061
 21 CYSS HA     50 LYS+ HG2     3.23   # peak   2734
 21 CYSS HA     50 LYS+ HG3     3.23   # peak   2733
 21 CYSS HA     50 LYS+ HE3     3.99   # peak   2735
 21 CYSS HB3    21 CYSS HB2     2.50   # peak   1418
 21 CYSS HB3    22 GLY  HN      5.00   # peak   1960 was 3.95 ov
 21 CYSS HB3    23 TYR  QD      8.14   # peak   2488
 21 CYSS HB3    23 TYR  QE      8.13   # peak   2489
 21 CYSS HB3    49 PHE  HN      6.00   # peak   1913
 21 CYSS HB3    49 PHE  HA      4.18   # peak   2564
 21 CYSS HB2    22 GLY  HN      3.87   # peak   1959
 21 CYSS HB2    23 TYR  HN      6.00   # peak   2995
 21 CYSS HB2    23 TYR  QD      8.14   # peak   2484
 21 CYSS HB2    23 TYR  QE      8.13   # peak   2485
 21 CYSS HB2    49 PHE  HN      6.00   # peak   1912
 21 CYSS HB2    49 PHE  HA      5.01   # peak   2563
 21 CYSS HB2    50 LYS+ HN      5.73   # peak   2063
 22 GLY  HN     22 GLY  QA      3.99   # peak   1518
 22 GLY  HN     23 TYR  HN      3.42   # peak   1964
 22 GLY  HN     23 TYR  HA      6.00   # peak   1968
 22 GLY  HN     23 TYR  HB3     6.00   # peak   2950
 22 GLY  HN     23 TYR  HB2     6.00   # peak   2949
 22 GLY  HN     23 TYR  QD      8.14   # peak   1965
 22 GLY  HN     26 VAL  QG2     6.00   # peak   1956 miss was 37hb2
 22 GLY  HN     48 CYSS HB2     6.00   # peak   2944
 22 GLY  HN     49 PHE  HA      4.29   # peak   1966
 22 GLY  QA     23 TYR  HN      4.25   # peak   2254
 22 GLY  QA     23 TYR  HA      6.88   # peak   2624
 22 GLY  QA     23 TYR  QD      9.02   # peak   2491
 22 GLY  QA     48 CYSS HN      6.88   # peak   2946
 23 TYR  HN     23 TYR  HA      3.64   # peak   1487
 23 TYR  HN     23 TYR  HB3     4.14   # peak   1488
 23 TYR  HN     23 TYR  HB2     3.53   # peak   1489
 23 TYR  HN     23 TYR  QD      6.77   # peak   2358
 23 TYR  HN     26 VAL  HB      6.00   # peak   2414
 23 TYR  HN     26 VAL  QG2     5.70   # peak   2253
 23 TYR  HA     23 TYR  HB3     2.54   # peak   1493 
 23 TYR  HA     23 TYR  HB2     2.90   # peak   1494 was 2.58 ov
 23 TYR  HA     23 TYR  QD      7.19   # peak   2348
 23 TYR  HA     23 TYR  QE      8.13   # peak   2497
 23 TYR  HA     24 PRO  HG2     5.00   # peak   2622 was 4.18 ov
 23 TYR  HA     24 PRO  HG3     5.00   # peak   2621 was 3.83 ov
 23 TYR  HA     24 PRO  HD2     2.20   # peak   2625
 23 TYR  HA     26 VAL  QG1     6.53   # peak   2619
 23 TYR  HA     26 VAL  QG2     7.03   # peak   2618 was 5.93 ov
 23 TYR  HB3    23 TYR  HB2     2.20   # peak   1497
 23 TYR  HB3    23 TYR  QD      7.23   # peak   2487
 23 TYR  HB3    23 TYR  QE      8.13   # peak   2486
 23 TYR  HB3    24 PRO  HD2     3.30   # peak   2613 
 23 TYR  HB3    24 PRO  HD3     4.44   # peak   2874
 23 TYR  HB2    23 TYR  QD      7.23   # peak   2490
 23 TYR  HB2    23 TYR  QE      8.13   # peak   2482
 23 TYR  HB2    24 PRO  HD2     3.30   # peak   2614 was 2.62 ov
 23 TYR  HB2    24 PRO  HD3     5.00   # peak   2875 was 3.34 ov
 23 TYR  QD     23 TYR  QE      7.35   # peak   1033
 23 TYR  QD     26 VAL  HA      8.14   # peak   2495
 23 TYR  QD     26 VAL  HB      8.14   # peak   2477
 23 TYR  QD     26 VAL  QG1     9.17   # peak   2467
 23 TYR  QD     26 VAL  QG2     9.17   # peak   2466
 23 TYR  QD     31 CYSS HA      8.14   # peak   2493
 23 TYR  QD     34 ARG+ HB2     8.14   # peak   2474
 23 TYR  QD     34 ARG+ HB3     8.14   # peak   2478
 23 TYR  QD     34 ARG+ HG2     8.14   # peak   2473
 23 TYR  QD     34 ARG+ HG3     8.14   # peak   2470
 23 TYR  QD     34 ARG+ HD3     8.14   # peak   2480
 23 TYR  HE1    24 PRO  HD2     6.00   # peak   2966
 23 TYR  HE1    24 PRO  HD3     6.00   # peak   2967
 23 TYR  QE     26 VAL  HB      8.13   # peak   2476
 23 TYR  QE     26 VAL  QG1     9.16   # peak   2469
 23 TYR  QE     26 VAL  QG2     9.16   # peak   2468
 23 TYR  QE     27 THR  HN      8.13   # peak   2245
 23 TYR  HE1    30 GLU- QG      6.88   # peak   2977
 23 TYR  QE     31 CYSS HA      8.13   # peak   2494
 23 TYR  QE     34 ARG+ HA      8.13   # peak   2496
 23 TYR  QE     34 ARG+ HB2     8.13   # peak   2475
 23 TYR  QE     34 ARG+ HB3     8.13   # peak   2479
 23 TYR  QE     34 ARG+ HG2     8.13   # peak   2472
 23 TYR  QE     34 ARG+ HG3     8.13   # peak   2471
 23 TYR  QE     34 ARG+ HD3     8.13   # peak   2481
 24 PRO  HG2    24 PRO  HD2     2.47   # peak   2616
 24 PRO  HG2    25 HIS+ HD2     5.66   # peak   2517
 24 PRO  HG3    24 PRO  HD2     2.20   # peak   2615
 24 PRO  HG3    24 PRO  HD3     3.68   # peak   2876
 24 PRO  HG3    25 HIS+ HD2     6.00   # peak   2516
 24 PRO  HD2    25 HIS+ HD2     6.00   # peak   2521
 24 PRO  HD2    26 VAL  QG2     6.00   # peak   2882 ov was 5.85
 24 PRO  HD3    26 VAL  QG1     6.00   # peak   2881 ov was 4.67
 24 PRO  HD3    26 VAL  QG2     5.00   # peak   2880 ov was 4.14
## 24 PRO  HD3    48 CYSS HB2     6.00   # peak   2879 was 3.99 ov remove temp
 25 HIS+ HN     25 HIS+ HA      4.14   # peak   1725
 25 HIS+ HN     25 HIS+ HB3     5.05   # peak   1724
 25 HIS+ HA     25 HIS+ HB2     3.72   # peak   1809
 25 HIS+ HA     25 HIS+ HB3     2.43   # peak   1807
 25 HIS+ HA     25 HIS+ HD2     5.05   # peak   2524
 25 HIS+ HA     25 HIS+ HE1     6.50   # peak   2528 +0.5 as HIS
 25 HIS+ HA     26 VAL  HN      3.15   # peak   2285
 25 HIS+ HB3    25 HIS+ HD2     3.26   # peak   2520
 25 HIS+ HB3    25 HIS+ HE1     6.00   # peak   2525
 25 HIS+ HD2    25 HIS+ HE1     6.00   # peak   2529
 25 HIS+ HD2    26 VAL  QG2     7.03   # peak   2512
 25 HIS+ HD2    31 CYSS HA      6.00   # peak   2522
 25 HIS+ HD2    34 ARG+ HB3     4.37   # peak   2518
 25 HIS+ HD2    34 ARG+ HG2     4.02   # peak   2515
 25 HIS+ HD2    34 ARG+ HG3     6.00   # peak   2527
 25 HIS+ HE1    34 ARG+ HB3     6.00   # peak   2514
 25 HIS+ HE1    34 ARG+ HG2     6.00   # peak   2513
 26 VAL  HN     26 VAL  HA      3.19   # peak   1732
 26 VAL  HN     26 VAL  HB      3.50   # peak   1733 was 3.11 ov
 26 VAL  HN     26 VAL  QG2     3.91   # peak   1734
 26 VAL  HA     26 VAL  HB      2.35   # peak   2744
 26 VAL  HA     26 VAL  QG1     3.57   # peak     40
 26 VAL  HA     26 VAL  QG2     3.65   # peak     39
 26 VAL  HA     27 THR  HN      2.88   # peak   2239
 26 VAL  HA     38 PHE  HE1     6.00   # peak   2949
 26 VAL  HB     26 VAL  QG1     3.76   # peak      8
 26 VAL  HB     26 VAL  QG2     3.57   # peak      9
 26 VAL  HB     31 CYSS HN      5.00   # peak   2082 was 4.48 ov
 26 VAL  HB     38 PHE  HE1     6.00   # peak   2972
 26 VAL  QG1    26 VAL  QG2     5.74   # peak     11
 26 VAL  QG1    27 THR  HN      4.90   # peak   2240
 26 VAL  QG1    28 PRO  HA      7.03   # peak   2893 was 6.08 ov
 26 VAL  QG1    31 CYSS HN      4.98   # peak   2080
 26 VAL  QG1    31 CYSS HA      5.36   # peak   2841
 26 VAL  QG1    31 CYSS HB2     3.91   # peak   2554
 26 VAL  QG1    31 CYSS HB3     7.03   # peak   2843 ov was 4.37 
 26 VAL  QG1    47 TRP  HD1     6.00   # peak   2388 was 5.20 ov
 26 VAL  QG2    31 CYSS HA      7.03   # peak   2842
 26 VAL  QG2    31 CYSS HB2     4.29   # peak   2556
 26 VAL  QG2    31 CYSS HB3     4.98   # peak   2844
 26 VAL  QG2    38 PHE  QD      7.71   # peak   2378
 26 VAL  QG2    38 PHE  QE      7.67   # peak   2437
 26 VAL  QG2    38 PHE  HZ      5.20   # peak   2438
 26 VAL  QG2    47 TRP  HA      7.03   # peak   2605
 26 VAL  QG2    47 TRP  HB3     7.03   # peak   2611
 26 VAL  QG2    47 TRP  HE3     6.69   # peak   2215
 26 VAL  QG2    48 CYSS HB2     3.38   # peak   2532 
 26 VAL  QG2    48 CYSS HB3     3.30   # peak   2533 
 27 THR  HN     27 THR  HA      3.38   # peak   2238
 27 THR  HN     27 THR  HB      4.52   # peak   2237
 27 THR  HN     27 THR  QG2     7.03   # peak   2402
 27 THR  HN     30 GLU- HA      6.00   # peak   2993
 27 THR  HN     30 GLU- HB2     6.00   # peak   2405
 27 THR  HN     30 GLU- HB3     6.00   # peak   2403
 27 THR  HN     30 GLU- QG      6.88   # peak   2244
 27 THR  HA     27 THR  QG2     3.42   # peak   2698
 27 THR  HA     28 PRO  HD2     5.00   # peak   2700 was 2.47 in water 
 27 THR  HA     28 PRO  HD3     2.39   # peak   2699
 27 THR  HA     38 PHE  QD      8.12   # peak   2463
 27 THR  HA     38 PHE  QE      8.12   # peak   2464
 27 THR  HA     38 PHE  HZ      6.00   # peak   2465
 27 THR  HB     28 PRO  HD2     2.66   # peak   2702
 27 THR  HB     28 PRO  HD3     2.92   # peak   2701
 27 THR  QG2    28 PRO  HD2     4.60   # peak   2887
 27 THR  QG2    28 PRO  HD3     4.25   # peak   2890
 27 THR  QG2    30 GLU- HN      7.03   # peak   2424
 27 THR  QG2    30 GLU- HA      5.47   # peak   2830
 27 THR  QG2    30 GLU- QG      7.90   # peak   2837
 27 THR  QG2    38 PHE  HE1     7.03   # peak   2973
 27 THR  QG2    38 PHE  HZ      7.03   # peak   2442
 28 PRO  HA     28 PRO  HB2     2.58   # peak    314
 28 PRO  HA     28 PRO  HG3     3.68   # peak   2892
 28 PRO  HA     30 GLU- HN      4.78   # peak   2264
 28 PRO  HA     31 CYSS HN      6.00   # peak   1684
 28 PRO  HA     32 ASN  HN      6.00   # peak   1790
 28 PRO  HA     38 PHE  HB3     2.66   # peak   1830
 28 PRO  HA     38 PHE  HB2     3.99   # peak   2894
 28 PRO  HA     38 PHE  QE      6.98   # peak   2458
 28 PRO  HA     38 PHE  HZ      4.94   # peak   2961
 28 PRO  HB2    28 PRO  HG3     3.04   # peak    280
 28 PRO  HB2    28 PRO  HD2     3.80   # peak    177
 28 PRO  HB2    28 PRO  HD3     3.61   # peak    279
 28 PRO  HB2    29 LYS+ HN      5.00   # peak   2221 was 3.38 ov
 28 PRO  HB2    38 PHE  QD      6.56   # peak   2379
 28 PRO  HB2    38 PHE  QE      7.40   # peak   2439
 28 PRO  HB2    38 PHE  HZ      6.00   # peak   2970
 28 PRO  HB3    28 PRO  HG3     3.04   # peak    183
##28 PRO  QB     32 ASN  HA      6.00   # peak   2629 remove temp
 28 PRO  HG2    28 PRO  HG3     2.28   # peak    175
 28 PRO  HG2    28 PRO  HD2     3.45   # peak    178
 28 PRO  HG2    28 PRO  HD3     2.50   # peak    288
 28 PRO  HG2    38 PHE  QD      7.86   # peak   2380
 28 PRO  HG2    38 PHE  QE      7.70   # peak   2440
 28 PRO  HG2    38 PHE  HZ      5.43   # peak   2441
 28 PRO  HG3    28 PRO  HD2     3.80   # peak    167
 28 PRO  HG3    28 PRO  HD3     3.42   # peak    165
 28 PRO  HG3    29 LYS+ HN      6.00   # peak   2219
 28 PRO  HG3    38 PHE  QD      8.12   # peak   2436
 28 PRO  HG3    38 PHE  QE      7.25   # peak   2435
 28 PRO  HG3    38 PHE  HZ      5.51   # peak   2434
## 28 PRO  HG3    47 TRP  HZ2     6.00   # peak   2969 miss
 28 PRO  HD2    28 PRO  HD3     2.28   # peak    184
 28 PRO  HD2    29 LYS+ HN      4.94   # peak   2224
 28 PRO  HD2    38 PHE  HE1     5.47   # peak   2958
 28 PRO  HD2    38 PHE  HZ      6.00   # peak   2962
 28 PRO  HD3    29 LYS+ HN      4.86   # peak   2223
 28 PRO  HD3    29 LYS+ HA      5.77   # peak   2854
 28 PRO  HD3    38 PHE  QD      6.30   # peak   2383
 29 LYS+ HN     29 LYS+ HA      3.26   # peak   1277
 29 LYS+ HN     29 LYS+ HB2     3.15   # peak   1278
 29 LYS+ HN     29 LYS+ HB3     3.11   # peak   1282
 29 LYS+ HN     30 GLU- HN      3.45   # peak   2226
 29 LYS+ HN     31 CYSS HN      4.44   # peak   2091
 29 LYS+ HN     30 GLU- HB2     6.00   # peak   2999
 29 LYS+ HN     30 GLU- HB3     6.00   # peak   3000
 29 LYS+ HN     32 ASN  QB      6.88   # peak   2382
 29 LYS+ HA     29 LYS+ HB2     2.62   # peak   1289
 29 LYS+ HA     29 LYS+ HB3     3.30   # peak   1291 was 2.62 ov
 29 LYS+ HA     29 LYS+ HG2     3.30   # peak   1292
 29 LYS+ HA     29 LYS+ HG3     3.99   # peak   1293
 29 LYS+ HA     29 LYS+ HD2     3.26   # peak   1290
 29 LYS+ HA     29 LYS+ QE      6.69   # peak   1288
 29 LYS+ HA     32 ASN  HN      3.38   # peak   2847
## 29 LYS+ HA     32 ASN  HA      3.91   # peak   2634 temp remove
 29 LYS+ HA     32 ASN  QB      3.91   # peak   2846
 29 LYS+ HB2    29 LYS+ HB3     2.43   # peak   2848
 29 LYS+ HB2    29 LYS+ QE      6.88   # peak   1270
 29 LYS+ HB3    29 LYS+ QE      6.88   # peak   1295
 29 LYS+ HB3    30 GLU- HN      3.34   # peak   2262
 29 LYS+ HG2    29 LYS+ QE      6.15   # peak   1271
 29 LYS+ HG3    29 LYS+ QE      6.53   # peak   1276
 29 LYS+ HD2    29 LYS+ QE      5.39   # peak   1268
 29 LYS+ HD2    30 GLU- HA      4.44   # peak   2845
 30 GLU- HN     30 GLU- HA      3.15   # peak   1620
 30 GLU- HN     30 GLU- HB2     3.23   # peak   2263
 30 GLU- HN     30 GLU- HB3     3.19   # peak   1622
 30 GLU- HN     30 GLU- QG      5.39   # peak   1621
 30 GLU- HN     31 CYSS HN      3.11   # peak   2090
 30 GLU- HN     31 CYSS HA      5.00   # peak   2266 ov was 3.91
 30 GLU- HN     31 CYSS HB2     6.00   # peak   2267 sov was 4.02
 30 GLU- HN     31 CYSS HB3     6.00   # peak   2265 sov was 4.25
 30 GLU- HA     30 GLU- HB2     2.62   # peak   2827
 30 GLU- HA     30 GLU- HB3     2.85   # peak   1628
 30 GLU- HA     30 GLU- QG      5.47   # peak   1630
 30 GLU- HA     31 CYSS HN      3.95   # peak   2088
 30 GLU- HA     32 ASN  HN      5.20   # peak   2121
 30 GLU- HA     33 ASN  HN      3.42   # peak   2017
 30 GLU- HA     33 ASN  HB3     2.77   # peak   2829
 30 GLU- HA     33 ASN  HB2     3.00   # peak   2828
 30 GLU- HB3    33 ASN  HN      4.78   # peak   2025
 31 CYSS HN     31 CYSS HA      3.00   # peak   1633
 31 CYSS HN     31 CYSS HB2     3.50   # peak    391 was 2.85 ov
 31 CYSS HN     31 CYSS HB3     2.92   # peak   1648
 31 CYSS HN     32 ASN  HN      3.38   # peak   2092
 31 CYSS HN     32 ASN  QB      5.20   # peak   2086
 31 CYSS HN     33 ASN  HN      6.00   # peak   2022
 31 CYSS HN     38 PHE  HB2     6.00   # peak   2085
 31 CYSS HN     38 PHE  QD      8.12   # peak   2089
 31 CYSS HA     31 CYSS HB2     3.04   # peak   1413
 31 CYSS HA     31 CYSS HB3     2.81   # peak   1412
 31 CYSS HA     32 ASN  HN      3.38   # peak   2120
 31 CYSS HA     33 ASN  HN      3.53   # peak   2029
 31 CYSS HA     34 ARG+ HN      6.00   # peak   2432
 31 CYSS HA     36 CYSS HN      6.00   # peak   2994
 31 CYSS HA     38 PHE  HB2     5.13   # peak   2838
 31 CYSS HA     38 PHE  QD      7.78   # peak   2386
 31 CYSS HA     38 PHE  HE1     6.00   # peak   2959
 31 CYSS HA     48 CYSS HA      6.00   # peak   2534
 31 CYSS HB2    31 CYSS HB3     2.28   # peak   1655
 31 CYSS HB2    32 ASN  HN      5.00   # peak   2117 was 3.30 ov
## 31 CYSS HB2    32 ASN  HA      5.00   # peak   2631 was 4.56 bad volumn remove temp
 31 CYSS HB3    32 ASN  HN      3.11   # peak   2119
 31 CYSS HB3    32 ASN  HA      4.97   # peak   2632
 31 CYSS HB3    38 PHE  HB2     3.83   # peak   2839
 31 CYSS HB3    38 PHE  QD      6.15   # peak   2384
 32 ASN  HN     32 ASN  HA      3.23   # peak   1590
 32 ASN  HN     32 ASN  QB      3.91   # peak   1594
 32 ASN  HN     33 ASN  HN      3.26   # peak   2020
 32 ASN  HN     33 ASN  HA      5.09   # peak   2122
 32 ASN  HN     33 ASN  HB3     5.16   # peak   2129
 32 ASN  HN     34 ARG+ HN      4.06   # peak   2123
 32 ASN  HN     36 CYSS HN      6.00   # peak   2124
 32 ASN  HN     38 PHE  HB2     6.00   # peak   2128
 32 ASN  HA     32 ASN  QB      3.76   # peak   1589
 32 ASN  HA     33 ASN  HN      3.76   # peak   2021
 32 ASN  HA     33 ASN  HB3     6.00   # peak   2630
 32 ASN  HA     34 ARG+ HN      4.67   # peak   2272
 32 ASN  HA     35 GLY  HN      3.80   # peak   2165
 32 ASN  HA     35 GLY  HA2     4.71   # peak   2633
 32 ASN  HA     36 CYSS HN      3.76   # peak   2235
 32 ASN  HA     37 CYSS HA      5.43   # peak   2635
# 32 ASN  HA     42 ILE  QG2     7.03   # peak   2628
 32 ASN  QB     33 ASN  HN      6.88   # peak   1484
 32 ASN  QB     36 CYSS HN      4.94   # peak   2231
# 32 ASN  QB     42 ILE  QG2     7.90   # peak   2637
 33 ASN  HN     33 ASN  HA      2.96   # peak   1477
 33 ASN  HN     33 ASN  HB3     2.92   # peak   1475
 33 ASN  HN     33 ASN  HB2     3.19   # peak   1476
 33 ASN  HN     34 ARG+ HN      3.11   # peak   2018
 33 ASN  HN     34 ARG+ HA      4.94   # peak   2026
 33 ASN  HN     34 ARG+ HB2     4.48   # peak   2024
 33 ASN  HN     34 ARG+ HG3     6.00   # peak   2023
 33 ASN  HN     35 GLY  HN      4.37   # peak   2019
 33 ASN  HN     35 GLY  HA2     5.00   # peak   2028 was 4.44 ov
 33 ASN  HA     33 ASN  HB3     3.04   # peak   1481
 33 ASN  HA     33 ASN  HB2     2.47   # peak   1482
 33 ASN  HA     34 ARG+ HN      3.83   # peak   2270
 33 ASN  HA     35 GLY  HN      5.00   # peak   2164 was 3.95 ov
 33 ASN  HA     36 CYSS HN      5.16   # peak   2234
 33 ASN  HB3    33 ASN  HB2     2.20   # peak   1485
 33 ASN  HB3    34 ARG+ HN      3.64   # peak   2268
 33 ASN  HB2    34 ARG+ HN      3.80   # peak   2274
 34 ARG+ HN     34 ARG+ HA      3.34   # peak   1169
 34 ARG+ HN     34 ARG+ HB2     3.15   # peak   1166
 34 ARG+ HN     34 ARG+ HB3     3.34   # peak   1165
 34 ARG+ HN     34 ARG+ HG2     4.21   # peak   1167
 34 ARG+ HN     34 ARG+ HG3     4.82   # peak   1168
 34 ARG+ HN     34 ARG+ HD2     5.54   # peak   1163
 34 ARG+ HN     34 ARG+ HD3     6.00   # peak   1164
 34 ARG+ HN     35 GLY  HN      3.00   # peak   2166
 34 ARG+ HN     35 GLY  HA2     4.44   # peak   2273
 34 ARG+ HN     36 CYSS HN      6.00   # peak   2437
 34 ARG+ HA     34 ARG+ HB2     3.15   # peak   1179
 34 ARG+ HA     34 ARG+ HB3     2.58   # peak   1178
 34 ARG+ HA     34 ARG+ HG2     3.34   # peak   1180
 34 ARG+ HA     34 ARG+ HG3     4.14   # peak   1181
 34 ARG+ HA     34 ARG+ HD2     3.49   # peak   1176
 34 ARG+ HA     34 ARG+ HD3     3.87   # peak   1177
 34 ARG+ HA     35 GLY  HN      3.45   # peak   2163
 34 ARG+ HA     36 CYSS HN      6.00   # peak   2992
 34 ARG+ HB2    34 ARG+ HB3     2.62   # peak   1200
 34 ARG+ HB2    34 ARG+ HG3     2.47   # peak   1210
 34 ARG+ HB2    34 ARG+ HD2     4.21   # peak   1193
 34 ARG+ HB2    34 ARG+ HD3     3.99   # peak   1186
 34 ARG+ HB2    34 ARG+ HE      6.00   # peak   1220
 34 ARG+ HB2    35 GLY  HN      4.10   # peak   2159
 34 ARG+ HB2    36 CYSS HN      6.00   # peak   2229 was 4.44 ov
 34 ARG+ HB3    34 ARG+ HG2     2.35   # peak   1136
 34 ARG+ HB3    34 ARG+ HG3     2.85   # peak   1201
 34 ARG+ HB3    34 ARG+ HD2     3.34   # peak   1192
 34 ARG+ HB3    34 ARG+ HD3     3.95   # peak   1185
 34 ARG+ HB3    34 ARG+ HE      6.00   # peak   1219
 34 ARG+ HB3    36 CYSS HN      6.00   # peak   2230 was 4.86 ov
 34 ARG+ HG2    34 ARG+ HD2     3.64   # peak   1194
 34 ARG+ HG2    34 ARG+ HD3     3.68   # peak   1187
 34 ARG+ HG2    34 ARG+ HE      6.00   # peak   1221
 34 ARG+ HG2    35 GLY  HN      6.00   # peak   1843
 34 ARG+ HG3    34 ARG+ HD2     3.72   # peak   1195
 34 ARG+ HG3    34 ARG+ HD3     3.53   # peak   1188
 34 ARG+ HG3    34 ARG+ HE      6.00   # peak   1222
 34 ARG+ HD2    34 ARG+ HE      6.00   # peak   1217
 34 ARG+ HD3    34 ARG+ HE      6.00   # peak   1218
 35 GLY  HN     35 GLY  HA1     2.77   # peak   1378
 35 GLY  HN     35 GLY  HA2     2.69   # peak   1377
 35 GLY  HN     36 CYSS HN      3.00   # peak   2167
 35 GLY  HN     36 CYSS HB2     4.18   # peak   2160
 35 GLY  HN     36 CYSS HB3     4.78   # peak   2161
 35 GLY  HA1    35 GLY  HA2     2.50   # peak   1373
 35 GLY  HA1    36 CYSS HN      3.95   # peak   2227
 35 GLY  HA2    36 CYSS HN      3.72   # peak   2233
 35 GLY  HA2    37 CYSS HN      6.00   # peak   2006 was 4.59 ov
# 35 GLY  HA2    37 CYSS HA      6.00   # peak   1799 was 2.77 ov
 36 CYSS HN     36 CYSS HA      2.62   # peak   1691
 36 CYSS HN     36 CYSS HB2     3.42   # peak   1675
 36 CYSS HN     36 CYSS HB3     3.72   # peak   1674
 36 CYSS HN     37 CYSS HN      4.75   # peak   2012
 36 CYSS HA     36 CYSS HB2     2.88   # peak   1677
 36 CYSS HA     36 CYSS HB3     3.57   # peak   1676
 36 CYSS HA     37 CYSS HN      4.10   # peak   2007
## 36 CYSS HA     49 PHE  HN      6.00   # peak   1902 was 5.58 bad volumn - remove temp
 36 CYSS HB2    36 CYSS HB3     2.35   # peak   1685
 36 CYSS HB2    37 CYSS HN      3.23   # peak   2014
 36 CYSS HB2    50 LYS+ HA      5.00   # peak   2706 in water was 3.99
 36 CYSS HB3    37 CYSS HN      3.38   # peak   2013
 36 CYSS HB3    49 PHE  HN      6.00   # peak   1898
 36 CYSS HB3    50 LYS+ HN      6.00   # peak   2979
 36 CYSS HB3    50 LYS+ HA      4.21   # peak   2705
 37 CYSS HN     37 CYSS HA      3.68   # peak   1568
 37 CYSS HN     37 CYSS HB2     3.38   # peak   1569
 37 CYSS HN     37 CYSS HB3     3.61   # peak   1570
 37 CYSS HN     48 CYSS HA      6.00   # peak   2009 was 4.75 ov
 37 CYSS HN     49 PHE  HN      3.91   # peak   1907
 37 CYSS HN     49 PHE  HA      6.00   # peak   2010
 37 CYSS HN     51 PRO  HD2     5.77   # peak   2945
 37 CYSS HA     37 CYSS HB2     2.85   # peak   1608
 37 CYSS HA     37 CYSS HB3     3.11   # peak   1607
 37 CYSS HA     38 PHE  HN      2.92   # peak   1723
# 37 CYSS HA     39 ASP- HN      6.00   # peak   2980 spin
# 37 CYSS HA     42 ILE  QG2     7.03   # peak   2816
# 37 CYSS HA     42 ILE  QD1     4.71   # peak   2815
 37 CYSS HA     48 CYSS HA      6.00   # peak   2535
 37 CYSS HA     49 PHE  HN      6.00   # peak   1900
 37 CYSS HB2    37 CYSS HB3     3.26   # peak   1609
 37 CYSS HB2    38 PHE  HN      3.99   # peak   2042
 37 CYSS HB2    38 PHE  HA      4.18   # peak   2548
 37 CYSS HB2    39 ASP- HN      5.66   # peak   1914
 37 CYSS HB2    48 CYSS HA      4.14   # peak   2531
 37 CYSS HB2    49 PHE  HN      6.00   # peak   1878
 37 CYSS HB3    38 PHE  HN      4.02   # peak   2043
 37 CYSS HB3    38 PHE  HA      6.00   # peak   2551
# 37 CYSS HB3    42 ILE  QD1     6.00   # peak   2818
 37 CYSS HB3    48 CYSS HA      6.00   # peak   2537
 37 CYSS HB3    49 PHE  HN      6.00   # peak   1895
 37 CYSS HB3    49 PHE  HD1     5.62   # peak   2409
 37 CYSS HB3    49 PHE  HZ      3.72   # peak   2408
 37 CYSS N      49 PHE  O       3.30   # hydrogen bond
 37 CYSS HN     49 PHE  O       2.30   # hydrogen bond
 37 CYSS O      49 PHE  N       3.30   # hydrogen bond
 37 CYSS O      49 PHE  HN      2.30   # hydrogen bond
 38 PHE  HN     38 PHE  HA      3.72   # peak   1041
 38 PHE  HN     38 PHE  HB3     3.42   # peak   1582
 38 PHE  HN     38 PHE  HB2     3.72   # peak   1583
 38 PHE  HN     38 PHE  QD      7.97   # peak   2044
 38 PHE  HN     49 PHE  QE      8.12   # peak   1588
 38 PHE  HA     38 PHE  HB3     2.85   # peak   1560
 38 PHE  HA     38 PHE  HB2     2.88   # peak   1561
 38 PHE  HA     38 PHE  QD      5.58   # peak   2390
 38 PHE  HA     38 PHE  HE1     6.00   # peak   2950 was 4.48 ov
 38 PHE  HA     39 ASP- HN      2.62   # peak   1920
 38 PHE  HA     39 ASP- HA      6.00   # peak   2552
 38 PHE  HA     47 TRP  HE3     6.00   # peak   2951
 38 PHE  HA     48 CYSS HB2     5.51   # peak   2550
 38 PHE  HA     48 CYSS HB3     4.40   # peak   2549
## 38 PHE  HA     49 PHE  HD2     6.00   # peak ov with 48 HA
 38 PHE  HB3    38 PHE  HB2     3.04   # peak   1587
 38 PHE  HB3    38 PHE  QD      5.16   # peak   2382
 38 PHE  HB3    38 PHE  QE      6.68   # peak   2456
 38 PHE  HB3    39 ASP- HN      3.99   # peak   1918
 38 PHE  HB2    38 PHE  QD      5.54   # peak   2381
 38 PHE  HB2    38 PHE  QE      7.44   # peak   2448
 38 PHE  HB2    39 ASP- HN      3.95   # peak   1917
 38 PHE  HB2    48 CYSS HA      5.81   # peak   2540
 38 PHE  HB2    49 PHE  HN      6.00   # peak   1896
 38 PHE  QD     38 PHE  QE      7.58   # peak   1056
 38 PHE  QD     38 PHE  HZ      5.54   # peak   1069
 38 PHE  QD     39 ASP- HN      8.12   # peak   1331
 38 PHE  QD     39 ASP- HA      6.94   # peak   2389
 38 PHE  QD     40 SER  HN      8.12   # peak   2067
 38 PHE  QD     40 SER  HB2     8.12   # peak   2447
 38 PHE  HD1    40 SER  HB3     6.00   # peak   2976
 38 PHE  HD1    47 TRP  HB2     5.16   # peak   2975
 38 PHE  QD     48 CYSS HB2     6.72   # peak   2385
 38 PHE  QD     48 CYSS HB3     6.26   # peak   2387
 38 PHE  QD     49 PHE  HN      8.12   # peak   1905
 38 PHE  QE     39 ASP- HA      8.05   # peak   2461
 38 PHE  QE     40 SER  HN      8.12   # peak   2068
 38 PHE  QE     40 SER  HB2     6.49   # peak   2446
 38 PHE  HE1    47 TRP  HA      6.00   # peak   2948
 38 PHE  QE     47 TRP  HB3     6.98   # peak   2455
 38 PHE  QE     47 TRP  HB2     6.98   # peak   2452
 38 PHE  HE1    48 CYSS HB2     5.05   # peak   2957
 38 PHE  QE     48 CYSS HB3     7.44   # peak   2449
 38 PHE  HZ     39 ASP- HN      6.00   # peak   1333
 38 PHE  HZ     39 ASP- HA      5.00   # peak   2460 was 4.86 sov  
 38 PHE  HZ     40 SER  HB2     3.80   # peak   2445
 38 PHE  HZ     40 SER  HB3     3.80   # peak   2443
 39 ASP- HN     39 ASP- HA      3.49   # peak   1463
 39 ASP- HN     39 ASP- HB3     3.76   # peak   1464
 39 ASP- HN     39 ASP- HB2     3.53   # peak   1465
 39 ASP- HN     40 SER  HN      5.13   # peak   1925
 39 ASP- HN     40 SER  HB2     6.00   # peak   1322
 39 ASP- HN     47 TRP  HN      6.00   # peak   1935
 39 ASP- HN     47 TRP  HA      3.87   # peak   1919
 39 ASP- HN     47 TRP  HB2     5.47   # peak   1915
 39 ASP- HN     47 TRP  HZ3     6.00   # peak   1923 was 5.85 ov
## 39 ASP- HN     49 PHE  HD2     6.00   # peak   1921 remove temp
 39 ASP- HA     39 ASP- HB3     2.96   # peak   1466
 39 ASP- HA     39 ASP- HB2     3.07   # peak   1467
 39 ASP- HA     40 SER  HN      3.45   # peak   2064
 39 ASP- HA     41 ARG+ HN      3.72   # peak   2198
 39 ASP- HA     49 PHE  HD1     6.00   # peak   2954
 39 ASP- HB3    39 ASP- HB2     2.20   # peak   1468
 39 ASP- HB3    40 SER  HN      4.14   # peak   2071
 39 ASP- HB3    49 PHE  HZ      3.53   # peak   2412
 39 ASP- HB3    49 PHE  HD1     4.52   # peak   2414
 39 ASP- HB3    49 PHE  HD2     6.00   # peak   2373
 39 ASP- HB2    40 SER  HN      5.24   # peak   2072
 39 ASP- HB2    49 PHE  HZ      3.38   # peak   2411
 39 ASP- HB2    49 PHE  HD1     5.00   # peak   2413 was 3.87 ov
 39 ASP- HB2    49 PHE  HD2     6.00   # peak   2372
 40 SER  HN     40 SER  HA      3.91   # peak   1727
 40 SER  HN     40 SER  HB2     6.00   # peak   1632
 40 SER  HN     40 SER  HB3     6.00   # peak   1631
 40 SER  HN     41 ARG+ HN      3.95   # peak   2069
 40 SER  HN     41 ARG+ HA      4.97   # peak   2073
 40 SER  HA     40 SER  HB2     2.28   # peak   2918
 40 SER  HA     40 SER  HB3     2.43   # peak   1834
 40 SER  HA     41 ARG+ HN      3.83   # peak   2197
 40 SER  HA     41 ARG+ HA      6.00   # peak   2859
 40 SER  HA     42 ILE  HN      4.94   # peak   2144
 40 SER  HA     47 TRP  HA      4.52   # peak   2609
 40 SER  HA     47 TRP  HD1     3.99   # peak   2425
 40 SER  HA     47 TRP  HE1     6.00   # peak   1259
 40 SER  HA     47 TRP  HE3     5.77   # peak   2216
 40 SER  HA     47 TRP  HZ2     3.61   # peak   2453
 40 SER  HB2    40 SER  HB3     2.96   # peak   1832
 40 SER  HB2    41 ARG+ HN      6.00   # peak   2363
 40 SER  HB2    47 TRP  HA      6.00   # peak   2608
 40 SER  HB2    47 TRP  HB3     6.00   # peak   2612
 40 SER  HB2    47 TRP  HD1     6.50   # peak   2433 ov was 4.48 add 0.5 for hd1
 40 SER  HB2    47 TRP  HE1     6.00   # peak   1270
 40 SER  HB2    47 TRP  HE3     4.86   # peak   2213
 40 SER  HB3    47 TRP  HD1     6.50   # peak   2424 was 6.00 add 0.5 for hd1
 40 SER  HB3    47 TRP  HE3     5.16   # peak   2450
 41 ARG+ HN     41 ARG+ HA      3.04   # peak   1141
 41 ARG+ HN     41 ARG+ HB2     3.04   # peak   1143
 41 ARG+ HN     41 ARG+ HB3     2.92   # peak   1142
 41 ARG+ HN     41 ARG+ HG2     5.00   # peak   1144 was 3.45 ov
 41 ARG+ HN     41 ARG+ HG3     5.00   # peak   1145 was 3.85 ov
 41 ARG+ HN     41 ARG+ HD2     6.00   # peak   1214
 41 ARG+ HN     41 ARG+ HD3     5.89   # peak   1155
 41 ARG+ HN     42 ILE  HN      3.64   # peak   2150
 41 ARG+ HA     41 ARG+ HB2     2.92   # peak   1152
 41 ARG+ HA     41 ARG+ HB3     2.88   # peak   1151
 41 ARG+ HA     41 ARG+ HG2     3.04   # peak   1153
 41 ARG+ HA     41 ARG+ HG3     3.38   # peak   1154
 41 ARG+ HA     41 ARG+ HD2     5.77   # peak   2861
 41 ARG+ HA     41 ARG+ HD3     4.86   # peak   2860
 41 ARG+ HA     42 ILE  HN      3.80   # peak   2145
 41 ARG+ HA     42 ILE  HG13    5.09   # peak   2866
 41 ARG+ HA     42 ILE  QD1     5.66   # peak   2870
 41 ARG+ HA     47 TRP  HZ2     6.00   # peak   2363
 41 ARG+ HB2    41 ARG+ HD2     4.02   # peak   1122
 41 ARG+ HB2    41 ARG+ HD3     3.19   # peak   1127
 41 ARG+ HB2    42 ILE  HN      4.71   # peak   2141
 41 ARG+ HB3    41 ARG+ HD2     4.29   # peak   1121
 41 ARG+ HB3    41 ARG+ HD3     3.42   # peak   1128
 41 ARG+ HB3    42 ILE  HN      4.14   # peak   2142
 41 ARG+ HB3    42 ILE  HG13    4.29   # peak   2871
 41 ARG+ HG2    41 ARG+ HD3     3.61   # peak   1126
 41 ARG+ HG3    41 ARG+ HD2     3.57   # peak   2873
 41 ARG+ HG3    41 ARG+ HD3     2.88   # peak   1161
 42 ILE  HN     42 ILE  HA      5.24   # peak    219
 42 ILE  HN     42 ILE  HB      3.50   # peak    218 was 3.26 sov
 42 ILE  HN     42 ILE  QG2     7.03   # peak    215
 42 ILE  HN     42 ILE  HG13    4.56   # peak    224
 42 ILE  HN     42 ILE  HG12    5.32   # peak    223
 42 ILE  HN     42 ILE  QD1     7.03   # peak   1781
 42 ILE  HN     43 PRO  HD2     6.00   # peak   2146
 42 ILE  HN     45 VAL  QG2     7.03   # peak   2140
 42 ILE  HN     47 TRP  HA      6.00   # peak   2148
 42 ILE  HN     47 TRP  HD1     6.00   # peak   2149
 42 ILE  HN     47 TRP  HE1     6.00   # peak   1869
 42 ILE  HA     42 ILE  HB      3.57   # peak    389
 42 ILE  HA     42 ILE  QG2     5.20   # peak     82
 42 ILE  HA     42 ILE  HG12    4.97   # peak   2694
 42 ILE  HA     42 ILE  QD1     6.08   # peak   2693
 42 ILE  HA     43 PRO  HB3     5.00   # peak   2690 was 4.44 - too restrictive
 42 ILE  HA     43 PRO  HG2     4.40   # peak   2691
 42 ILE  HA     43 PRO  HD2     3.30   # peak   1859 was 2.50 ov
 42 ILE  HA     43 PRO  HD3     3.30   # peak   1860 was 2.35 ov
 42 ILE  HA     45 VAL  QG2     7.03   # peak   2692
 42 ILE  HB     42 ILE  QG2     3.49   # peak    202
 42 ILE  HB     42 ILE  HG12    3.76   # peak     61
 42 ILE  HB     42 ILE  QD1     3.23   # peak     96
 42 ILE  HB     43 PRO  HA      6.00   # peak   2643 was 3.91 - too restrictive
 42 ILE  HB     47 TRP  HD1     5.28   # peak   2431
 42 ILE  HB     47 TRP  HE1     6.00   # peak   1880
 42 ILE  QG2    42 ILE  HG13    4.90   # peak   2696
 42 ILE  QG2    42 ILE  HG12    7.03   # peak   2697
 42 ILE  QG2    42 ILE  QD1     6.92   # peak     84
 42 ILE  QG2    43 PRO  HA      6.80   # peak   2645
 42 ILE  QG2    43 PRO  HB3     7.03   # peak   2641
 42 ILE  QG2    43 PRO  HD2     5.05   # peak   2650 
 42 ILE  QG2    43 PRO  HD3     5.00   # peak   2653 was 3.80 ov
 42 ILE  QG2    45 VAL  HN      7.03   # peak   2928
 42 ILE  QG2    47 TRP  HD1     7.03   # peak   2428
 42 ILE  QG2    47 TRP  HE1     7.03   # peak   2957
 42 ILE  HG13   42 ILE  HG12    2.24   # peak    101
 42 ILE  HG13   42 ILE  QD1     3.91   # peak     95
 42 ILE  HG13   47 TRP  HD1     6.00   # peak   2429
 42 ILE  HG13   47 TRP  HE1     6.00   # peak   2951
 42 ILE  HG12   42 ILE  QD1     4.18   # peak     92
 42 ILE  HG12   43 PRO  HD3     5.09   # peak   2869
 42 ILE  QD1    43 PRO  HA      5.58   # peak   2646
 42 ILE  QD1    43 PRO  HB3     7.03   # peak   2640
 42 ILE  QD1    43 PRO  HD2     6.95   # peak   2651
 43 PRO  HA     43 PRO  HB3     2.58   # peak    291
 43 PRO  HA     43 PRO  HB2     2.35   # peak    293
 43 PRO  HA     43 PRO  HG2     2.54   # peak    292
 43 PRO  HA     43 PRO  HD2     4.82   # peak    305
 43 PRO  HA     43 PRO  HD3     4.06   # peak    304
 43 PRO  HA     44 GLY  HN      3.38   # peak   1973
 43 PRO  HA     45 VAL  HN      5.62   # peak   2300
 43 PRO  HA     45 VAL  QG2     7.03   # peak   2647
 43 PRO  HA     47 TRP  HD1     6.00   # peak   2304
 43 PRO  HA     47 TRP  HE1     6.00   # peak   1262
 43 PRO  HA     47 TRP  HZ2     4.33   # peak   2365
 43 PRO  HB3    43 PRO  HB2     2.28   # peak   2638
 43 PRO  HB3    43 PRO  HG2     2.58   # peak   2639
 43 PRO  HB3    43 PRO  HD2     4.37   # peak    289
 43 PRO  HB3    43 PRO  HD3     4.25   # peak    290
 43 PRO  HB3    44 GLY  HN      5.01   # peak   1972
 43 PRO  HB3    47 TRP  HZ2     5.24   # peak   2968
## 43 PRO  HB3    52 LEU  HG      6.00   # peak   2654 miss was 52qd1 7.03 - remove temp
 43 PRO  HB2    43 PRO  HD2     4.37   # peak    325
 43 PRO  HB2    43 PRO  HD3     3.00   # peak    295
 43 PRO  HB2    44 GLY  HN      4.75   # peak   1970
 43 PRO  HB2    47 TRP  HE1     6.00   # peak   1266
 43 PRO  HB2    47 TRP  HZ2     6.00   # peak   2361
 43 PRO  HG2    43 PRO  HD2     2.43   # peak    326
 43 PRO  HG2    43 PRO  HD3     2.28   # peak    294
 43 PRO  HG2    44 GLY  HN      6.00   # peak   1396
 43 PRO  HG2    47 TRP  HZ2     6.00   # peak   2362
 43 PRO  HG2    47 TRP  HE1     6.00   # peak   1267
 43 PRO  HD2    43 PRO  HD3     2.20   # peak    302
 43 PRO  HD2    47 TRP  HZ2     6.00   # peak   2364
 43 PRO  HD3    45 VAL  QG2     7.03   # peak   2652
 44 GLY  HN     44 GLY  HA1     3.72   # peak   1369
 44 GLY  HN     44 GLY  HA2     3.53   # peak   1368
 44 GLY  HN     45 VAL  HN      3.95   # peak   1974
 44 GLY  HN     45 VAL  QG2     7.03   # peak   1969
 44 GLY  HN     47 TRP  HE1     6.00   # peak   1887
 44 GLY  HA1    44 GLY  HA2     2.81   # peak   1370
 44 GLY  HA1    45 VAL  HN      4.48   # peak   2299
 44 GLY  HA1    45 VAL  QG2     7.03   # peak   2832
 44 GLY  HA1    45 VAL  QG1     7.03   # peak   2833
 44 GLY  HA2    45 VAL  HN      4.33   # peak   2297
 44 GLY  HA2    45 VAL  QG1     7.03   # peak   2834
 45 VAL  HN     45 VAL  HA      3.38   # peak     35
 45 VAL  HN     45 VAL  HB      3.76   # peak     32
 45 VAL  HN     45 VAL  QG2     5.96   # peak     29
 45 VAL  HN     45 VAL  QG1     6.88   # peak     31
 45 VAL  HN     46 PRO  HD2     6.00   # peak   2298
 45 VAL  HN     46 PRO  HD3     6.00   # peak   2296
 45 VAL  HN     47 TRP  HE1     6.00   # peak   2301
 45 VAL  HA     45 VAL  HB      2.47   # peak   2679
 45 VAL  HA     45 VAL  QG2     4.22   # peak     24
 45 VAL  HA     45 VAL  QG1     3.57   # peak     26
 45 VAL  HA     46 PRO  HA      5.54   # peak   2683
 45 VAL  HA     46 PRO  HB2     6.00   # peak   2680 was 3.83 - too restrictive
 45 VAL  HA     46 PRO  HB3     5.00   # peak   2676 was 3.64 - too restrictive
 45 VAL  HA     46 PRO  HG2     5.00   # peak   2678 was 4.06 - too restrictive
 45 VAL  HA     46 PRO  HG3     5.00   # peak   2677 was 3.95 - too restrictive
 45 VAL  HA     46 PRO  HD2     3.30   # peak   2682 was 2.47 ov
 45 VAL  HA     46 PRO  HD3     2.73   # peak   2681
 45 VAL  HA     47 TRP  HD1     6.00   # peak   2423
 45 VAL  HB     45 VAL  QG2     3.57   # peak      6
 45 VAL  HB     45 VAL  QG1     3.42   # peak      5
 45 VAL  HB     46 PRO  HD2     2.69   # peak   2804
 45 VAL  HB     46 PRO  HD3     3.04   # peak   2805
 45 VAL  HB     47 TRP  HD1     6.00   # peak   2432 was 5.58 ov
 45 VAL  QG2    45 VAL  QG1     5.59   # peak      7
 45 VAL  QG2    46 PRO  HA      7.03   # peak   2801
 45 VAL  QG2    46 PRO  HD2     4.98   # peak   2797
 45 VAL  QG2    46 PRO  HD3     5.32   # peak   2799
 45 VAL  QG2    47 TRP  HA      7.03   # peak   2604
 45 VAL  QG2    47 TRP  HD1     4.25   # peak   2426
 45 VAL  QG2    47 TRP  HE1     6.46   # peak   1870
 45 VAL  QG1    46 PRO  HA      7.03   # peak   2802
 45 VAL  QG1    46 PRO  HD2     4.25   # peak   2798
 45 VAL  QG1    46 PRO  HD3     4.71   # peak   2800
 45 VAL  QG1    47 TRP  HD1     7.03   # peak   2427
 45 VAL  QG1    49 PHE  HE1     7.03   # peak   2981 was 6.53 ov
 46 PRO  HA     46 PRO  HB2     2.43   # peak    266
 46 PRO  HA     46 PRO  HB3     3.42   # peak   2803
 46 PRO  HA     46 PRO  HG2     3.57   # peak    264
 46 PRO  HA     46 PRO  HG3     3.61   # peak    263
 46 PRO  HA     46 PRO  HD2     3.91   # peak    272
 46 PRO  HA     46 PRO  HD3     4.44   # peak    252
 46 PRO  HA     47 TRP  HN      2.81   # peak   2135
 46 PRO  HA     47 TRP  HA      6.00   # peak   2610
 46 PRO  HA     47 TRP  HD1     4.94   # peak   2303
 46 PRO  HA     48 CYSS HN      3.64   # peak   2054
 46 PRO  HB2    46 PRO  HB3     2.50   # peak    275
 46 PRO  HB2    46 PRO  HD2     3.83   # peak    248
 46 PRO  HB2    46 PRO  HD3     4.14   # peak    241
 46 PRO  HB2    49 PHE  HN      6.00   # peak   1911
 46 PRO  HB2    49 PHE  HA      3.95   # peak   2562
 46 PRO  HB2    49 PHE  HB2     5.24   # peak   2574
 46 PRO  HB2    49 PHE  HB3     3.04   # peak   2920
 46 PRO  HB3    46 PRO  HG2     2.20   # peak   2793
 46 PRO  HB3    46 PRO  HD2     3.57   # peak    271
 46 PRO  HB3    46 PRO  HD3     4.29   # peak    244
 46 PRO  HB3    47 TRP  HN      3.99   # peak   2130
 46 PRO  HB3    48 CYSS HN      4.25   # peak   2047
 46 PRO  HB3    49 PHE  HA      6.00   # ov with 2559
 46 PRO  HG2    46 PRO  HD3     3.53   # peak    245
 46 PRO  HG2    47 TRP  HN      6.00   # peak   2132
 46 PRO  HG2    47 TRP  HD1     6.50   # peak   2430 +0.5 for HD1
 46 PRO  HG3    46 PRO  HD2     2.96   # peak    247
 46 PRO  HG3    46 PRO  HD3     3.19   # peak    243
 46 PRO  HG3    47 TRP  HN      6.00   # peak   2131
 46 PRO  HD2    46 PRO  HD3     2.43   # peak    240
 47 TRP  HN     47 TRP  HA      3.76   # peak   1446
 47 TRP  HN     47 TRP  HB3     3.38   # peak   1447
 47 TRP  HN     47 TRP  HB2     3.34   # peak   1448
 47 TRP  HN     47 TRP  HD1     4.37   # peak   2137
 47 TRP  HN     47 TRP  HE1     6.00   # peak   1886
 47 TRP  HN     48 CYSS HN      3.80   # peak   2053
 47 TRP  HN     48 CYSS HA      6.00   # peak   2136
 47 TRP  HN     48 CYSS HB2     5.16   # peak   2134
 47 TRP  HN     49 PHE  QE      8.12   # peak   2138
 47 TRP  HA     47 TRP  HB3     3.00   # peak   1396
 47 TRP  HA     47 TRP  HB2     3.38   # peak   1397
 47 TRP  HA     47 TRP  HD1     2.47   # peak   2302
 47 TRP  HA     47 TRP  HE3     5.66   # peak   2217
 47 TRP  HA     47 TRP  HE1     5.66   # peak   1873
 47 TRP  HA     48 CYSS HN      4.52   # peak   2051
 47 TRP  HA     48 CYSS HA      6.00   # peak   2546
 47 TRP  HA     49 PHE  HD1     6.00   # peak   2953
 47 TRP  HA     49 PHE  HE1     5.00   # peak   2983 was 4.02 ov
 47 TRP  HA     49 PHE  HZ      6.00   # peak   2947
 47 TRP  HB3    47 TRP  HB2     2.50   # peak   1398
 47 TRP  HB3    47 TRP  HD1     3.99   # peak   1735
 47 TRP  HB3    47 TRP  HE1     6.00   # peak   2947
 47 TRP  HB3    47 TRP  HE3     3.57   # peak   2218
 47 TRP  HB3    48 CYSS HN      3.76   # peak   2050
 47 TRP  HB2    47 TRP  HD1     3.23   # peak   1736
 47 TRP  HB2    47 TRP  HE3     3.49   # peak   2214
 47 TRP  HB2    47 TRP  HZ2     6.18   # peak   2451 was 4.21 too restrictive
 47 TRP  HB2    48 CYSS HN      3.91   # peak   2048
 47 TRP  HB2    48 CYSS HA      6.00   # peak   2538
 47 TRP  HD1    47 TRP  HE3     4.86   # peak   2392
 47 TRP  HD1    47 TRP  HE1     3.11   # peak   1063
 47 TRP  HD1    48 CYSS HN      6.00   # peak   1598
 47 TRP  HE3    47 TRP  HZ3     2.81   # peak   1052
 47 TRP  HE3    47 TRP  HZ2     3.15   # peak   1065
 47 TRP  HE1    47 TRP  HZ3     6.00   # peak   1073
 47 TRP  HE1    47 TRP  HZ2     3.83   # peak   1868
 47 TRP  HZ2    47 TRP  HH2     2.47   # peak   1053
 48 CYSS HN     48 CYSS HA      3.99   # peak   1040
 48 CYSS HN     48 CYSS HB2     3.95   # peak   1575
 48 CYSS HN     48 CYSS HB3     3.57   # peak   1576
 48 CYSS HN     49 PHE  HN      4.59   # peak   1908
 48 CYSS HN     49 PHE  HB3     6.00   # peak   1595
 48 CYSS HA     48 CYSS HB2     3.07   # peak   1549
 48 CYSS HA     48 CYSS HB3     3.34   # peak   1550
 48 CYSS HA     49 PHE  HN      3.19   # peak   1903
 48 CYSS HA     49 PHE  HA      4.90   # peak   2547
 48 CYSS HA     49 PHE  HB2     6.00   # peak   2541 was 3.30 ov
 48 CYSS HA     49 PHE  HB3     6.00   # peak   2539 
 48 CYSS HA     49 PHE  HD1     5.73   # peak   2421
 48 CYSS HA     49 PHE  HZ      6.00   # peak   2946 was 5.39 ov
 48 CYSS HA     49 PHE  HD2     6.00   # peak   2377 ov with 38HA
 48 CYSS HB2    48 CYSS HB3     2.54   # peak   1580
 48 CYSS HB2    49 PHE  HN      5.28   # peak   1899
 48 CYSS HB3    49 PHE  HN      4.59   # peak   1897
 49 PHE  HN     49 PHE  HA      4.10   # peak   1037
 49 PHE  HN     49 PHE  HB2     4.33   # peak   1452
 49 PHE  HN     49 PHE  HB3     5.09   # peak   1453
 49 PHE  HN     49 PHE  HD1     6.00   # peak   1906
 49 PHE  HN     49 PHE  HD2     6.00   # peak   1904
 49 PHE  HN     50 LYS+ HA      6.00   # peak   1305
 49 PHE  HA     49 PHE  HB2     2.69   # peak   1405
 49 PHE  HA     49 PHE  HB3     2.54   # peak   1406
 49 PHE  HA     49 PHE  HD1     5.28   # peak   2420
 49 PHE  HA     49 PHE  HD2     6.00   # peak   2376
 49 PHE  HA     50 LYS+ HN      3.00   # peak   2062
 49 PHE  HB2    49 PHE  HB3     2.69   # peak   1407
 49 PHE  HB2    49 PHE  HD1     4.21   # peak   2417
 49 PHE  HB2    49 PHE  HD2     4.33   # peak   2374
 49 PHE  HB2    50 LYS+ HN      3.26   # peak   2057
 49 PHE  HB3    49 PHE  HD1     3.64   # peak   2406
 49 PHE  HB3    49 PHE  HE1     6.00   # peak   2990
 49 PHE  HB3    49 PHE  HD2     4.67   # peak   2371
 49 PHE  HB3    50 LYS+ HN      3.57   # peak   2056
 49 PHE  HD1    49 PHE  HD2     3.23   # peak   1694
## 49 PHE  HD1    51 PRO  HA      6.00   # peak   2952 was 4.67 ov - rt spin
 49 PHE  HE1    49 PHE  HD2     4.14   # peak   2984
 49 PHE  HZ     49 PHE  HD2     3.38   # peak   1046
 50 LYS+ HN     50 LYS+ HA      3.45   # peak   1230
 50 LYS+ HN     50 LYS+ HB2     2.92   # peak   1229
 50 LYS+ HN     50 LYS+ HG2     3.83   # peak   1228
 50 LYS+ HN     51 PRO  HD2     6.00   # peak   2060
 50 LYS+ HN     51 PRO  HD3     6.00   # peak   2059
 50 LYS+ HA     50 LYS+ HB2     3.30   # peak   1236 was 2.24 ov
 50 LYS+ HA     50 LYS+ HB3     2.73   # peak   1227
 50 LYS+ HA     50 LYS+ HG2     3.42   # peak   1238
 50 LYS+ HA     50 LYS+ HG3     3.19   # peak   1237
 50 LYS+ HA     51 PRO  HD2     4.00   # peak   1717 ov was 2.66
 50 LYS+ HA     51 PRO  HD3     2.50   # peak   1718
 50 LYS+ HB2    50 LYS+ HG2     2.39   # peak   1266
 50 LYS+ HB2    50 LYS+ HE2     4.25   # peak   1240
 50 LYS+ HB2    50 LYS+ HE3     3.72   # peak   1245
 50 LYS+ HB2    52 LEU  HN      6.00   # peak   1416
 50 LYS+ HB3    50 LYS+ HE2     4.90   # peak   1239
 50 LYS+ HB3    50 LYS+ HE3     3.72   # peak   1246
 50 LYS+ HG2    50 LYS+ HE2     4.06   # peak   1244
 50 LYS+ HG2    50 LYS+ HE3     3.80   # peak   1251
 50 LYS+ HG3    50 LYS+ HE2     3.80   # peak   1252
 50 LYS+ HG3    50 LYS+ HE3     3.80   # peak   1243
 50 LYS+ HD2    50 LYS+ HE2     3.45   # peak   1241
 50 LYS+ HD2    50 LYS+ HE3     3.45   # peak   1223
 50 LYS+ HD3    50 LYS+ HE2     3.61   # peak   1242
 50 LYS+ HD3    50 LYS+ HE3     4.29   # peak   1225
 51 PRO  HA     51 PRO  HD2     4.44   # peak   1719
 51 PRO  HA     51 PRO  HD3     5.09   # peak   1720
 51 PRO  HA     52 LEU  HN      2.66   # peak   1996
 51 PRO  HD2    51 PRO  HD3     2.85   # peak   1836
 51 PRO  HD2    52 LEU  HN      6.00   # peak   1999
 51 PRO  HD3    52 LEU  HN      6.00   # peak   1998
 52 LEU  HN     52 LEU  HA      3.00   # peak    350
 52 LEU  HN     52 LEU  HB2     2.88   # peak    351
 52 LEU  HN     52 LEU  HB3     2.77   # peak    354
 52 LEU  HN     52 LEU  HG      5.00   # peak    355 was 4.06 ov
 52 LEU  HN     52 LEU  QD1     5.09   # peak    356
 52 LEU  HN     52 LEU  QD2     5.09   # peak    357
 52 LEU  HN     53 GLN  HN      4.59   # peak   2001
 52 LEU  HN     54 GLU- HB2     6.00   # peak   1417
 52 LEU  HA     52 LEU  HB2     2.50   # peak    349
 52 LEU  HA     52 LEU  HB3     3.30   # peak    262 was 2.39 ov
 52 LEU  HA     52 LEU  HG      2.66   # peak    345
 52 LEU  HA     52 LEU  QD1     5.00   # peak    358 was 3.84 ov
 52 LEU  HA     52 LEU  QD2     3.87   # peak    359
 52 LEU  HA     53 GLN  HN      2.58   # peak   2074
 52 LEU  HB2    52 LEU  HG      2.31   # peak     52
 52 LEU  HB2    52 LEU  QD1     3.34   # peak     53
 52 LEU  HB2    52 LEU  QD2     4.00   # peak    360 was 3.34 ov
 52 LEU  HB3    52 LEU  HG      5.00   # peak   2776 was 2.20 - too restrictive
 52 LEU  HB3    52 LEU  QD1     3.23   # peak   2775
 52 LEU  HB3    52 LEU  QD2     3.23   # peak   2944
 52 LEU  HB3    53 GLN  HN      6.00   # peak   1670
 52 LEU  HB3    54 GLU- HN      6.00   # peak   2954
 53 GLN  HN     53 GLN  HA      3.26   # peak    424
 53 GLN  HN     53 GLN  HB2     2.85   # peak    421
 53 GLN  HN     53 GLN  HB3     3.30   # peak    422
 53 GLN  HN     53 GLN  HG3     4.44   # peak    423
 53 GLN  HN     55 ALA  QB      7.03   # peak   1662
 53 GLN  HA     53 GLN  HB2     2.58   # peak    426
 53 GLN  HA     53 GLN  HB3     2.85   # peak    425
 53 GLN  HA     53 GLN  HG2     6.00   # peak   2319
 53 GLN  HA     53 GLN  HG3     3.57   # peak    428
 53 GLN  HA     53 GLN  HE21    6.00   # peak   2357
 53 GLN  HA     53 GLN  HE22    6.00   # peak   2354
 53 GLN  HA     54 GLU- HN      2.81   # peak   2093
 53 GLN  HB2    53 GLN  HG3     3.23   # peak    436
 53 GLN  HB3    53 GLN  HG3     2.88   # peak    438
 53 GLN  HG3    53 GLN  HE21    5.54   # peak   2352
 53 GLN  HG3    53 GLN  HE22    6.00   # peak   2353
 53 GLN  HG3    54 GLU- HN      5.85   # peak   2094
 53 GLN  HE21   53 GLN  HE22    2.31   # peak   1760
 54 GLU- HN     54 GLU- HA      3.76   # peak    403
 54 GLU- HN     54 GLU- HB2     3.26   # peak    405
 54 GLU- HN     54 GLU- HB3     3.30   # peak    406
 54 GLU- HN     54 GLU- QG      5.81   # peak    404
 54 GLU- HN     55 ALA  QB      7.03   # peak   2952
 54 GLU- HA     54 GLU- HB2     2.43   # peak    408
 54 GLU- HA     54 GLU- HB3     2.50   # peak    407
 54 GLU- HA     54 GLU- QG      5.24   # peak    409
 54 GLU- HA     55 ALA  HN      2.77   # peak   2113
 54 GLU- QG     55 ALA  HN      6.88   # peak   2114
 55 ALA  HN     55 ALA  HA      3.80   # peak   1018
 55 ALA  HN     55 ALA  QB      4.60   # peak   1019
 55 ALA  HA     55 ALA  QB      4.29   # peak   1016
 56 GLU- HB3    56 GLU- HG2     3.68   # peak    441
 58 THR  HN     58 THR  HA      5.09   # peak    162
 58 THR  HN     58 THR  HB      4.52   # peak   1014
 58 THR  HN     58 THR  HG1     6.00   # peak    161
 58 THR  HA     58 THR  HB      3.57   # peak     90
 58 THR  HA     58 THR  QG2     5.51   # peak   1008
 58 THR  HA     58 THR  HG1     4.48   # peak     87
 58 THR  HB     58 THR  QG2     4.90   # peak   1007
 58 THR  HB     58 THR  HG1     4.63   # peak     86
 59 PHE  HD1    59 PHE  HE1     3.80   # peak   1057
 59 PHE  HD1    59 PHE  HZ      6.00   # peak   1696
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLU   1           H        GLU   1   2.702 -17.254  14.597
    2    HA   GLU   1           HA       GLU   1   0.200 -17.877  14.738
    3   1HB   GLU   1          1HB       GLU   1   0.256 -16.586  17.026
    4   2HB   GLU   1          2HB       GLU   1   0.148 -15.140  16.041
    5   1HG   GLU   1          1HG       GLU   1  -2.082 -15.449  15.786
    6   2HG   GLU   1          2HG       GLU   1  -1.800 -17.008  15.035
    7    H    GLU   2           H        GLU   2   2.061 -17.323  12.784
    8    HA   GLU   2           HA       GLU   2   2.434 -16.270  10.918
    9   1HB   GLU   2          1HB       GLU   2  -0.512 -16.196  11.261
   10   2HB   GLU   2          2HB       GLU   2   0.094 -15.030  10.102
   11   1HG   GLU   2          1HG       GLU   2   1.550 -17.200   9.325
   12   2HG   GLU   2          2HG       GLU   2   0.158 -18.028   9.994
   13    H    TYR   3           H        TYR   3   1.923 -13.946   9.658
   14    HA   TYR   3           HA       TYR   3   2.981 -12.003  11.510
   15   1HB   TYR   3          1HB       TYR   3   3.371 -12.670   8.866
   16   2HB   TYR   3          2HB       TYR   3   2.126 -11.456   8.646
   17    HD1  TYR   3           HD1      TYR   3   5.316 -11.855  10.598
   18    HD2  TYR   3           HD2      TYR   3   2.848  -9.299   8.216
   19    HE1  TYR   3           HE1      TYR   3   7.071 -10.021  10.735
   20    HE2  TYR   3           HE2      TYR   3   4.611  -7.473   8.361
   21    HH   TYR   3           HH       TYR   3   6.431  -6.854   9.958
   22    H    VAL   4           H        VAL   4   2.063  -9.585  10.677
   23    HA   VAL   4           HA       VAL   4  -0.685  -9.391  10.262
   24    HB   VAL   4           HB       VAL   4  -0.950 -10.408  12.419
   25   1HG1  VAL   4          1HG1      VAL   4   1.437  -9.034  13.073
   26   2HG1  VAL   4          2HG1      VAL   4   0.176  -8.407  14.161
   27   3HG1  VAL   4          3HG1      VAL   4   0.503 -10.155  14.092
   28   1HG2  VAL   4          1HG2      VAL   4  -1.485  -7.431  12.339
   29   2HG2  VAL   4          2HG2      VAL   4  -2.607  -8.773  12.009
   30   3HG2  VAL   4          3HG2      VAL   4  -2.050  -8.467  13.672
   31    H    GLY   5           H        GLY   5  -0.837  -7.442   9.287
   32   1HA   GLY   5          1HA       GLY   5   0.015  -5.462   8.495
   33   2HA   GLY   5          2HA       GLY   5   1.284  -5.500   9.703
   34    H    LEU   6           H        LEU   6   1.032  -4.405  11.660
   35    HA   LEU   6           HA       LEU   6  -1.556  -3.051  11.977
   36   1HB   LEU   6          1HB       LEU   6  -1.227  -3.181  14.398
   37   2HB   LEU   6          2HB       LEU   6  -1.417  -4.751  13.642
   38    HG   LEU   6           HG       LEU   6   1.367  -4.280  13.725
   39   1HD1  LEU   6          1HD1      LEU   6   0.388  -2.553  15.546
   40   2HD1  LEU   6          2HD1      LEU   6   0.507  -4.018  16.550
   41   3HD1  LEU   6          3HD1      LEU   6   1.950  -3.390  15.717
   42   1HD2  LEU   6          1HD2      LEU   6  -0.252  -6.365  14.105
   43   2HD2  LEU   6          2HD2      LEU   6   1.426  -6.333  14.697
   44   3HD2  LEU   6          3HD2      LEU   6   0.083  -5.976  15.810
   45    H    SER   7           H        SER   7   0.823  -2.217  10.439
   46    HA   SER   7           HA       SER   7   0.930   0.379  11.179
   47   1HB   SER   7          1HB       SER   7   3.497   0.267  11.997
   48   2HB   SER   7          2HB       SER   7   2.153   0.255  13.122
   49    HG   SER   7           HG       SER   7   3.994  -1.521  13.126
   50    H    ALA   8           H        ALA   8   3.409   1.284  10.342
   51    HA   ALA   8           HA       ALA   8   3.394   1.101   7.670
   52   1HB   ALA   8          1HB       ALA   8   4.911   2.666   8.315
   53   2HB   ALA   8          2HB       ALA   8   5.402   1.741   9.754
   54   3HB   ALA   8          3HB       ALA   8   6.083   1.334   8.161
   55    H    ASN   9           H        ASN   9   6.258  -0.465   9.128
   56    HA   ASN   9           HA       ASN   9   7.362  -2.228   8.452
   57   1HB   ASN   9          1HB       ASN   9   4.593  -3.234   9.128
   58   2HB   ASN   9          2HB       ASN   9   5.715  -4.384   8.428
   59   2HD2  ASN   9          2HD2      ASN   9   4.734  -4.719  10.950
   60   1HD2  ASN   9          1HD2      ASN   9   5.978  -4.512  12.136
   61    H    GLN  10           H        GLN  10   4.373  -3.661   7.102
   62    HA   GLN  10           HA       GLN  10   5.475  -4.377   4.733
   63   1HB   GLN  10          1HB       GLN  10   2.560  -3.643   4.756
   64   2HB   GLN  10          2HB       GLN  10   3.337  -5.086   4.135
   65   1HG   GLN  10          1HG       GLN  10   3.938  -5.503   6.703
   66   2HG   GLN  10          2HG       GLN  10   2.598  -4.410   6.990
   67   2HE2  GLN  10          2HE2      GLN  10   2.291  -6.821   7.954
   68   1HE2  GLN  10          1HE2      GLN  10   1.192  -7.796   7.037
   69    H    CYS  11           H        CYS  11   3.791  -1.318   5.609
   70    HA   CYS  11           HA       CYS  11   4.364  -0.332   2.920
   71   1HB   CYS  11          1HB       CYS  11   2.775   1.353   4.743
   72   2HB   CYS  11          2HB       CYS  11   2.552   0.996   3.042
   73    H    ALA  12           H        ALA  12   6.562  -0.730   4.675
   74    HA   ALA  12           HA       ALA  12   7.089   1.926   5.781
   75   1HB   ALA  12          1HB       ALA  12   8.701  -0.635   6.082
   76   2HB   ALA  12          2HB       ALA  12   7.367  -0.180   7.169
   77   3HB   ALA  12          3HB       ALA  12   8.817   0.847   7.062
   78    H    VAL  13           H        VAL  13   6.938   1.796   2.968
   79    HA   VAL  13           HA       VAL  13   9.712   1.592   2.091
   80    HB   VAL  13           HB       VAL  13   7.683   2.371   0.136
   81   1HG1  VAL  13          1HG1      VAL  13  10.077   0.721   0.355
   82   2HG1  VAL  13          2HG1      VAL  13   8.785  -0.097  -0.556
   83   3HG1  VAL  13          3HG1      VAL  13   9.358   1.508  -1.070
   84   1HG2  VAL  13          1HG2      VAL  13   7.250  -0.059   1.860
   85   2HG2  VAL  13          2HG2      VAL  13   6.068   1.120   1.243
   86   3HG2  VAL  13          3HG2      VAL  13   6.783  -0.082   0.143
   87    HA   PRO  14           HA       PRO  14  10.202   5.884   2.091
   88   1HB   PRO  14          1HB       PRO  14  12.140   6.220   0.194
   89   2HB   PRO  14          2HB       PRO  14  12.482   5.702   1.833
   90   1HG   PRO  14          1HG       PRO  14  12.453   4.098  -0.650
   91   2HG   PRO  14          2HG       PRO  14  13.189   3.717   0.894
   92   1HD   PRO  14          1HD       PRO  14  10.743   2.646  -0.152
   93   2HD   PRO  14          2HD       PRO  14  11.419   2.355   1.438
   94    H    ALA  15           H        ALA  15  10.281   4.798  -1.277
   95    HA   ALA  15           HA       ALA  15   7.941   5.708  -2.142
   96   1HB   ALA  15          1HB       ALA  15   9.643   7.992  -1.366
   97   2HB   ALA  15          2HB       ALA  15   7.886   7.918  -1.647
   98   3HB   ALA  15          3HB       ALA  15   9.000   8.103  -3.022
   99    H    LYS  16           H        LYS  16  11.426   5.448  -2.534
  100    HA   LYS  16           HA       LYS  16  11.167   5.369  -5.431
  101   1HB   LYS  16          1HB       LYS  16  13.585   5.368  -5.456
  102   2HB   LYS  16          2HB       LYS  16  13.006   6.660  -4.424
  103   1HG   LYS  16          1HG       LYS  16  14.690   5.700  -3.093
  104   2HG   LYS  16          2HG       LYS  16  13.252   4.915  -2.471
  105   1HD   LYS  16          1HD       LYS  16  13.896   2.855  -3.230
  106   2HD   LYS  16          2HD       LYS  16  14.409   3.483  -4.784
  107   1HE   LYS  16          1HE       LYS  16  16.592   3.553  -4.138
  108   2HE   LYS  16          2HE       LYS  16  16.202   4.415  -2.663
  109   1HZ   LYS  16          1HZ       LYS  16  15.292   1.832  -2.357
  110   2HZ   LYS  16          2HZ       LYS  16  16.799   1.713  -2.975
  111   3HZ   LYS  16          3HZ       LYS  16  16.547   2.542  -1.591
  112    H    ASP  17           H        ASP  17  10.305   3.328  -3.081
  113    HA   ASP  17           HA       ASP  17  11.371   1.039  -4.540
  114   1HB   ASP  17          1HB       ASP  17  11.360   1.664  -1.678
  115   2HB   ASP  17          2HB       ASP  17  10.497   0.169  -1.977
  116    H    ARG  18           H        ARG  18   8.771   2.919  -4.400
  117    HA   ARG  18           HA       ARG  18   6.760   1.111  -3.581
  118   1HB   ARG  18          1HB       ARG  18   6.346   3.557  -5.353
  119   2HB   ARG  18          2HB       ARG  18   5.210   2.852  -4.221
  120   1HG   ARG  18          1HG       ARG  18   7.851   4.179  -3.445
  121   2HG   ARG  18          2HG       ARG  18   6.278   4.943  -3.337
  122   1HD   ARG  18          1HD       ARG  18   5.569   2.970  -1.820
  123   2HD   ARG  18          2HD       ARG  18   7.261   2.517  -1.770
  124    HE   ARG  18           HE       ARG  18   7.602   4.237  -0.239
  125   1HH1  ARG  18          1HH1      ARG  18   4.791   5.039  -2.198
  126   2HH1  ARG  18          2HH1      ARG  18   4.442   6.496  -1.330
  127   1HH2  ARG  18          1HH2      ARG  18   7.142   6.160   0.907
  128   2HH2  ARG  18          2HH2      ARG  18   5.788   7.138   0.448
  129    H    VAL  19           H        VAL  19   6.036  -0.611  -4.791
  130    HA   VAL  19           HA       VAL  19   6.760  -0.758  -7.572
  131    HB   VAL  19           HB       VAL  19   5.175  -2.648  -5.822
  132   1HG1  VAL  19          1HG1      VAL  19   6.448  -2.941  -8.554
  133   2HG1  VAL  19          2HG1      VAL  19   6.022  -4.337  -7.535
  134   3HG1  VAL  19          3HG1      VAL  19   4.753  -3.217  -8.085
  135   1HG2  VAL  19          1HG2      VAL  19   8.142  -2.349  -6.305
  136   2HG2  VAL  19          2HG2      VAL  19   7.263  -2.482  -4.762
  137   3HG2  VAL  19          3HG2      VAL  19   7.426  -3.905  -5.819
  138    H    ASP  20           H        ASP  20   4.256   0.675  -5.785
  139    HA   ASP  20           HA       ASP  20   2.328   1.516  -6.305
  140   1HB   ASP  20          1HB       ASP  20   3.262   2.596  -8.213
  141   2HB   ASP  20          2HB       ASP  20   3.459   1.089  -9.086
  142    H    CYS  21           H        CYS  21   0.471   0.335  -5.826
  143    HA   CYS  21           HA       CYS  21   0.188  -2.300  -6.939
  144   1HB   CYS  21          1HB       CYS  21  -0.405  -1.264  -4.511
  145   2HB   CYS  21          2HB       CYS  21  -1.975  -1.139  -5.280
  146    H    GLY  22           H        GLY  22  -0.829   0.989  -7.546
  147   1HA   GLY  22          1HA       GLY  22  -2.154   0.312  -9.947
  148   2HA   GLY  22          2HA       GLY  22  -2.099   1.884  -9.173
  149    H    TYR  23           H        TYR  23  -3.783   2.551  -7.742
  150    HA   TYR  23           HA       TYR  23  -6.196   0.923  -8.008
  151   1HB   TYR  23          1HB       TYR  23  -4.654   1.847  -5.559
  152   2HB   TYR  23          2HB       TYR  23  -6.401   1.931  -5.452
  153    HD1  TYR  23           HD1      TYR  23  -7.654  -0.311  -6.232
  154    HD2  TYR  23           HD2      TYR  23  -3.608  -0.104  -4.858
  155    HE1  TYR  23           HE1      TYR  23  -7.728  -2.778  -5.618
  156    HE2  TYR  23           HE2      TYR  23  -3.696  -2.571  -4.248
  157    HH   TYR  23           HH       TYR  23  -4.872  -4.375  -4.225
  158    HA   PRO  24           HA       PRO  24  -7.947   4.813  -8.740
  159   1HB   PRO  24          1HB       PRO  24 -10.597   4.261  -8.368
  160   2HB   PRO  24          2HB       PRO  24  -9.737   3.877  -9.845
  161   1HG   PRO  24          1HG       PRO  24 -10.607   2.060  -7.681
  162   2HG   PRO  24          2HG       PRO  24 -10.141   1.667  -9.324
  163   1HD   PRO  24          1HD       PRO  24  -8.558   1.311  -6.959
  164   2HD   PRO  24          2HD       PRO  24  -8.051   1.026  -8.612
  165    H    HIS  25           H        HIS  25 -10.086   3.606  -6.216
  166    HA   HIS  25           HA       HIS  25  -9.695   6.132  -4.865
  167   1HB   HIS  25          1HB       HIS  25 -11.603   5.525  -3.548
  168   2HB   HIS  25          2HB       HIS  25 -11.963   5.226  -5.237
  169    HD1  HIS  25           HD1      HIS  25 -13.700   3.767  -3.280
  170    HD2  HIS  25           HD2      HIS  25 -10.049   2.197  -4.620
  171    HE1  HIS  25           HE1      HIS  25 -13.831   1.245  -2.918
  172    HE2  HIS  25           HE2      HIS  25 -11.581   0.329  -3.811
  173    H    VAL  26           H        VAL  26  -7.493   5.887  -4.161
  174    HA   VAL  26           HA       VAL  26  -7.015   3.685  -2.309
  175    HB   VAL  26           HB       VAL  26  -4.670   4.478  -2.436
  176   1HG1  VAL  26          1HG1      VAL  26  -6.043   3.842  -5.068
  177   2HG1  VAL  26          2HG1      VAL  26  -4.287   3.754  -4.791
  178   3HG1  VAL  26          3HG1      VAL  26  -5.385   2.682  -3.890
  179   1HG2  VAL  26          1HG2      VAL  26  -5.807   6.830  -3.433
  180   2HG2  VAL  26          2HG2      VAL  26  -4.074   6.431  -3.348
  181   3HG2  VAL  26          3HG2      VAL  26  -4.993   6.094  -4.835
  182    H    THR  27           H        THR  27  -6.731   3.972  -0.110
  183    HA   THR  27           HA       THR  27  -6.449   6.650   0.941
  184    HB   THR  27           HB       THR  27  -8.565   6.787   1.978
  185    HG1  THR  27           HG1      THR  27  -9.776   4.721   2.267
  186   1HG2  THR  27          1HG2      THR  27  -9.074   5.049  -0.494
  187   2HG2  THR  27          2HG2      THR  27 -10.337   5.927   0.402
  188   3HG2  THR  27          3HG2      THR  27  -9.061   6.828  -0.451
  189    HA   PRO  28           HA       PRO  28  -4.526   4.558   4.160
  190   1HB   PRO  28          1HB       PRO  28  -5.200   5.925   6.429
  191   2HB   PRO  28          2HB       PRO  28  -3.996   6.493   5.290
  192   1HG   PRO  28          1HG       PRO  28  -6.760   7.458   5.701
  193   2HG   PRO  28          2HG       PRO  28  -5.426   8.260   4.896
  194   1HD   PRO  28          1HD       PRO  28  -7.654   6.958   3.643
  195   2HD   PRO  28          2HD       PRO  28  -6.262   7.658   2.840
  196    H    LYS  29           H        LYS  29  -6.875   3.270   3.313
  197    HA   LYS  29           HA       LYS  29  -7.128   1.428   5.372
  198   1HB   LYS  29          1HB       LYS  29  -8.381   3.541   6.304
  199   2HB   LYS  29          2HB       LYS  29  -9.664   3.034   5.224
  200   1HG   LYS  29          1HG       LYS  29  -8.444   0.871   6.900
  201   2HG   LYS  29          2HG       LYS  29  -9.367   2.080   7.771
  202   1HD   LYS  29          1HD       LYS  29 -10.904   1.417   5.448
  203   2HD   LYS  29          2HD       LYS  29 -10.336  -0.102   6.111
  204   1HE   LYS  29          1HE       LYS  29 -11.111   1.227   8.414
  205   2HE   LYS  29          2HE       LYS  29 -12.264   1.859   7.256
  206   1HZ   LYS  29          1HZ       LYS  29 -12.459  -0.621   6.615
  207   2HZ   LYS  29          2HZ       LYS  29 -11.874  -0.887   8.116
  208   3HZ   LYS  29          3HZ       LYS  29 -13.263  -0.052   7.917
  209    H    GLU  30           H        GLU  30  -8.825   3.128   2.674
  210    HA   GLU  30           HA       GLU  30 -10.123   0.769   1.843
  211   1HB   GLU  30          1HB       GLU  30 -11.075   2.963   1.343
  212   2HB   GLU  30          2HB       GLU  30  -9.640   3.441   0.459
  213   1HG   GLU  30          1HG       GLU  30 -10.332   2.386  -1.438
  214   2HG   GLU  30          2HG       GLU  30 -10.718   0.911  -0.573
  215    H    CYS  31           H        CYS  31  -7.078   2.464   0.993
  216    HA   CYS  31           HA       CYS  31  -6.564   0.823  -1.262
  217   1HB   CYS  31          1HB       CYS  31  -5.498   2.838  -1.442
  218   2HB   CYS  31          2HB       CYS  31  -5.098   2.920   0.262
  219    H    ASN  32           H        ASN  32  -6.078   0.676   2.242
  220    HA   ASN  32           HA       ASN  32  -4.186  -1.477   1.963
  221   1HB   ASN  32          1HB       ASN  32  -5.425  -0.470   4.564
  222   2HB   ASN  32          2HB       ASN  32  -3.887  -1.283   4.358
  223   2HD2  ASN  32          2HD2      ASN  32  -2.205  -0.036   4.548
  224   1HD2  ASN  32          1HD2      ASN  32  -2.073   1.636   4.115
  225    H    ASN  33           H        ASN  33  -7.491  -1.104   1.722
  226    HA   ASN  33           HA       ASN  33  -8.115  -3.476   3.265
  227   1HB   ASN  33          1HB       ASN  33  -9.649  -1.609   3.632
  228   2HB   ASN  33          2HB       ASN  33  -9.840  -1.346   1.910
  229   2HD2  ASN  33          2HD2      ASN  33 -11.871  -1.776   1.462
  230   1HD2  ASN  33          1HD2      ASN  33 -12.741  -3.220   1.859
  231    H    ARG  34           H        ARG  34  -8.227  -1.995  -0.029
  232    HA   ARG  34           HA       ARG  34  -9.572  -3.979  -1.327
  233   1HB   ARG  34          1HB       ARG  34  -8.448  -1.608  -2.068
  234   2HB   ARG  34          2HB       ARG  34  -7.254  -2.692  -2.754
  235   1HG   ARG  34          1HG       ARG  34 -10.259  -2.840  -3.288
  236   2HG   ARG  34          2HG       ARG  34  -9.081  -2.132  -4.376
  237   1HD   ARG  34          1HD       ARG  34  -7.878  -4.485  -4.205
  238   2HD   ARG  34          2HD       ARG  34  -9.428  -5.050  -3.613
  239    HE   ARG  34           HE       ARG  34 -10.164  -3.680  -5.872
  240   1HH1  ARG  34          1HH1      ARG  34  -7.699  -6.123  -5.292
  241   2HH1  ARG  34          2HH1      ARG  34  -7.768  -6.758  -6.902
  242   1HH2  ARG  34          1HH2      ARG  34 -10.257  -4.518  -7.995
  243   2HH2  ARG  34          2HH2      ARG  34  -9.233  -5.839  -8.450
  244    H    GLY  35           H        GLY  35  -6.238  -3.844  -0.131
  245   1HA   GLY  35          1HA       GLY  35  -5.704  -6.471  -1.389
  246   2HA   GLY  35          2HA       GLY  35  -5.301  -6.091   0.274
  247    H    CYS  36           H        CYS  36  -3.797  -4.154   0.638
  248    HA   CYS  36           HA       CYS  36  -1.427  -4.530  -0.612
  249   1HB   CYS  36          1HB       CYS  36  -3.134  -3.200  -2.412
  250   2HB   CYS  36          2HB       CYS  36  -2.044  -1.970  -1.804
  251    H    CYS  37           H        CYS  37  -0.507  -1.729  -0.665
  252    HA   CYS  37           HA       CYS  37  -1.091  -1.004   2.114
  253   1HB   CYS  37          1HB       CYS  37   1.491  -1.279   0.663
  254   2HB   CYS  37          2HB       CYS  37   1.343   0.066   1.776
  255    H    PHE  38           H        PHE  38  -1.048   1.353   2.539
  256    HA   PHE  38           HA       PHE  38  -1.483   2.893   0.076
  257   1HB   PHE  38          1HB       PHE  38  -3.545   2.561   1.421
  258   2HB   PHE  38          2HB       PHE  38  -2.698   2.980   2.897
  259    HD1  PHE  38           HD1      PHE  38  -3.950   4.360  -0.300
  260    HD2  PHE  38           HD2      PHE  38  -2.523   5.229   3.601
  261    HE1  PHE  38           HE1      PHE  38  -4.654   6.753  -0.576
  262    HE2  PHE  38           HE2      PHE  38  -3.227   7.623   3.325
  263    HZ   PHE  38           HZ       PHE  38  -4.284   8.356   1.240
  264    H    ASP  39           H        ASP  39  -1.277   5.400   0.625
  265    HA   ASP  39           HA       ASP  39   0.358   6.194   2.686
  266   1HB   ASP  39          1HB       ASP  39   2.122   4.865   1.574
  267   2HB   ASP  39          2HB       ASP  39   1.810   5.673   0.050
  268    H    SER  40           H        SER  40   0.524   8.529   2.617
  269    HA   SER  40           HA       SER  40  -0.297   9.747   0.110
  270   1HB   SER  40          1HB       SER  40  -1.830  11.265   1.296
  271   2HB   SER  40          2HB       SER  40  -2.307   9.598   1.546
  272    HG   SER  40           HG       SER  40  -2.382  10.526   3.576
  273    H    ARG  41           H        ARG  41   2.248   9.338   1.862
  274    HA   ARG  41           HA       ARG  41   2.894  11.730   3.046
  275   1HB   ARG  41          1HB       ARG  41   4.109   9.301   2.833
  276   2HB   ARG  41          2HB       ARG  41   5.069  10.176   1.657
  277   1HG   ARG  41          1HG       ARG  41   5.691  11.865   3.321
  278   2HG   ARG  41          2HG       ARG  41   4.576  11.191   4.494
  279   1HD   ARG  41          1HD       ARG  41   5.917   8.996   4.340
  280   2HD   ARG  41          2HD       ARG  41   7.106   9.877   3.402
  281    HE   ARG  41           HE       ARG  41   6.621  10.121   6.281
  282   1HH1  ARG  41          1HH1      ARG  41   7.946  11.717   3.437
  283   2HH1  ARG  41          2HH1      ARG  41   9.002  12.744   4.348
  284   1HH2  ARG  41          1HH2      ARG  41   8.014  11.477   7.483
  285   2HH2  ARG  41          2HH2      ARG  41   9.041  12.607   6.665
  286    H    ILE  42           H        ILE  42   3.313  10.536  -0.335
  287    HA   ILE  42           HA       ILE  42   3.522  13.272  -1.230
  288    HB   ILE  42           HB       ILE  42   5.574  12.213  -2.668
  289   1HG1  ILE  42          1HG1      ILE  42   7.149  11.204  -1.053
  290   2HG1  ILE  42          2HG1      ILE  42   5.887  11.170   0.163
  291   1HG2  ILE  42          1HG2      ILE  42   5.729  13.800  -0.091
  292   2HG2  ILE  42          2HG2      ILE  42   7.025  13.659  -1.304
  293   3HG2  ILE  42          3HG2      ILE  42   5.489  14.451  -1.730
  294   1HD1  ILE  42          1HD1      ILE  42   5.165   9.945  -2.467
  295   2HD1  ILE  42          2HD1      ILE  42   6.400   9.086  -1.515
  296   3HD1  ILE  42          3HD1      ILE  42   4.793   9.397  -0.815
  297    HA   PRO  43           HA       PRO  43   1.160  11.343  -4.308
  298   1HB   PRO  43          1HB       PRO  43   0.791  13.492  -5.956
  299   2HB   PRO  43          2HB       PRO  43  -0.184  13.200  -4.530
  300   1HG   PRO  43          1HG       PRO  43   1.974  15.181  -4.926
  301   2HG   PRO  43          2HG       PRO  43   0.724  15.150  -3.698
  302   1HD   PRO  43          1HD       PRO  43   3.480  14.430  -3.360
  303   2HD   PRO  43          2HD       PRO  43   2.205  14.290  -2.165
  304    H    GLY  44           H        GLY  44   4.076  13.061  -5.056
  305   1HA   GLY  44          1HA       GLY  44   5.731  12.520  -6.489
  306   2HA   GLY  44          2HA       GLY  44   4.455  12.494  -7.690
  307    H    VAL  45           H        VAL  45   4.475  10.234  -4.929
  308    HA   VAL  45           HA       VAL  45   5.376   8.112  -6.741
  309    HB   VAL  45           HB       VAL  45   6.335   7.079  -4.975
  310   1HG1  VAL  45          1HG1      VAL  45   6.218   9.992  -4.158
  311   2HG1  VAL  45          2HG1      VAL  45   7.215   8.791  -3.303
  312   3HG1  VAL  45          3HG1      VAL  45   7.516   9.134  -5.023
  313   1HG2  VAL  45          1HG2      VAL  45   4.023   8.149  -3.388
  314   2HG2  VAL  45          2HG2      VAL  45   4.608   6.478  -3.569
  315   3HG2  VAL  45          3HG2      VAL  45   5.493   7.623  -2.533
  316    HA   PRO  46           HA       PRO  46   1.520   6.169  -6.491
  317   1HB   PRO  46          1HB       PRO  46   2.054   3.513  -6.132
  318   2HB   PRO  46          2HB       PRO  46   2.209   4.321  -7.679
  319   1HG   PRO  46          1HG       PRO  46   4.338   3.451  -5.822
  320   2HG   PRO  46          2HG       PRO  46   4.464   3.860  -7.521
  321   1HD   PRO  46          1HD       PRO  46   5.253   5.494  -5.299
  322   2HD   PRO  46          2HD       PRO  46   5.271   5.947  -6.992
  323    H    TRP  47           H        TRP  47   0.645   7.285  -4.712
  324    HA   TRP  47           HA       TRP  47   0.993   6.950  -2.144
  325   1HB   TRP  47          1HB       TRP  47  -1.496   7.213  -3.756
  326   2HB   TRP  47          2HB       TRP  47  -1.671   6.862  -2.048
  327    HD1  TRP  47           HD1      TRP  47   1.197   9.159  -3.207
  328    HE1  TRP  47           HE1      TRP  47   0.846  11.633  -2.358
  329    HE3  TRP  47           HE3      TRP  47  -3.498   8.428  -1.396
  330    HZ2  TRP  47           HZ2      TRP  47  -1.308  12.976  -1.054
  331    HZ3  TRP  47           HZ3      TRP  47  -4.655  10.373  -0.351
  332    HH2  TRP  47           HH2      TRP  47  -3.635  12.587  -0.164
  333    H    CYS  48           H        CYS  48  -1.030   4.654  -4.118
  334    HA   CYS  48           HA       CYS  48  -0.889   2.757  -1.934
  335   1HB   CYS  48          1HB       CYS  48  -2.991   3.348  -3.333
  336   2HB   CYS  48          2HB       CYS  48  -2.293   2.303  -4.554
  337    H    PHE  49           H        PHE  49   0.873   1.406  -1.877
  338    HA   PHE  49           HA       PHE  49   1.835   0.380  -4.442
  339   1HB   PHE  49          1HB       PHE  49   4.172   0.607  -3.292
  340   2HB   PHE  49          2HB       PHE  49   3.436   2.102  -3.835
  341    HD1  PHE  49           HD1      PHE  49   3.618  -0.056  -0.795
  342    HD2  PHE  49           HD2      PHE  49   3.314   3.876  -2.360
  343    HE1  PHE  49           HE1      PHE  49   3.809   0.881   1.525
  344    HE2  PHE  49           HE2      PHE  49   3.505   4.814  -0.039
  345    HZ   PHE  49           HZ       PHE  49   3.750   3.306   1.875
  346    H    LYS  50           H        LYS  50   3.283  -1.603  -4.109
  347    HA   LYS  50           HA       LYS  50   1.902  -3.431  -2.475
  348   1HB   LYS  50          1HB       LYS  50   4.493  -3.619  -4.033
  349   2HB   LYS  50          2HB       LYS  50   3.776  -4.975  -3.187
  350   1HG   LYS  50          1HG       LYS  50   1.591  -4.035  -4.588
  351   2HG   LYS  50          2HG       LYS  50   2.887  -3.619  -5.691
  352   1HD   LYS  50          1HD       LYS  50   3.501  -6.245  -4.804
  353   2HD   LYS  50          2HD       LYS  50   1.768  -6.253  -5.064
  354   1HE   LYS  50          1HE       LYS  50   2.820  -4.834  -7.284
  355   2HE   LYS  50          2HE       LYS  50   3.935  -6.163  -7.039
  356   1HZ   LYS  50          1HZ       LYS  50   1.775  -7.517  -6.834
  357   2HZ   LYS  50          2HZ       LYS  50   1.090  -6.269  -7.633
  358   3HZ   LYS  50          3HZ       LYS  50   2.318  -7.100  -8.316
  359    HA   PRO  51           HA       PRO  51   4.111  -3.208   1.224
  360   1HB   PRO  51          1HB       PRO  51   4.136  -5.791   2.115
  361   2HB   PRO  51          2HB       PRO  51   2.740  -4.741   2.258
  362   1HG   PRO  51          1HG       PRO  51   3.192  -6.978   0.379
  363   2HG   PRO  51          2HG       PRO  51   1.683  -6.208   0.826
  364   1HD   PRO  51          1HD       PRO  51   3.150  -5.826  -1.610
  365   2HD   PRO  51          2HD       PRO  51   1.704  -4.971  -1.113
  366    H    LEU  52           H        LEU  52   6.151  -2.680   1.663
  367    HA   LEU  52           HA       LEU  52   8.236  -3.245   0.134
  368   1HB   LEU  52          1HB       LEU  52   8.549  -1.740   1.868
  369   2HB   LEU  52          2HB       LEU  52   8.011  -2.868   3.097
  370    HG   LEU  52           HG       LEU  52  10.590  -3.218   1.552
  371   1HD1  LEU  52          1HD1      LEU  52  10.100  -1.786   4.172
  372   2HD1  LEU  52          2HD1      LEU  52  11.699  -2.357   3.636
  373   3HD1  LEU  52          3HD1      LEU  52  10.825  -1.135   2.682
  374   1HD2  LEU  52          1HD2      LEU  52   9.143  -4.875   3.385
  375   2HD2  LEU  52          2HD2      LEU  52  10.684  -5.192   2.553
  376   3HD2  LEU  52          3HD2      LEU  52  10.678  -4.377   4.136
  377    H    GLN  53           H        GLN  53   9.592  -4.917  -0.401
  378    HA   GLN  53           HA       GLN  53   8.704  -7.490   0.088
  379   1HB   GLN  53          1HB       GLN  53  10.904  -8.169  -0.948
  380   2HB   GLN  53          2HB       GLN  53  10.001  -7.001  -1.892
  381   1HG   GLN  53          1HG       GLN  53  11.799  -5.713   0.068
  382   2HG   GLN  53          2HG       GLN  53  12.665  -6.739  -1.058
  383   2HE2  GLN  53          2HE2      GLN  53  11.178  -3.764  -0.539
  384   1HE2  GLN  53          1HE2      GLN  53  11.206  -3.126  -2.149
  385    H    GLU  54           H        GLU  54   8.458  -7.584   2.446
  386    HA   GLU  54           HA       GLU  54  10.374  -7.081   4.270
  387   1HB   GLU  54          1HB       GLU  54   9.076  -8.328   5.777
  388   2HB   GLU  54          2HB       GLU  54   7.914  -7.924   4.530
  389   1HG   GLU  54          1HG       GLU  54   8.591 -10.196   3.426
  390   2HG   GLU  54          2HG       GLU  54   9.344 -10.574   4.963
  391    H    ALA  55           H        ALA  55  12.442  -7.789   4.541
  392    HA   ALA  55           HA       ALA  55  12.998 -10.605   4.142
  393   1HB   ALA  55          1HB       ALA  55  14.236 -10.407   2.264
  394   2HB   ALA  55          2HB       ALA  55  15.033  -8.927   2.849
  395   3HB   ALA  55          3HB       ALA  55  13.447  -8.826   2.048
  396    H    GLU  56           H        GLU  56  13.023 -10.226   6.549
  397    HA   GLU  56           HA       GLU  56  15.685  -9.305   7.267
  398   1HB   GLU  56          1HB       GLU  56  13.046  -8.407   8.417
  399   2HB   GLU  56          2HB       GLU  56  14.418  -8.543   9.499
  400   1HG   GLU  56          1HG       GLU  56  15.336  -6.628   8.695
  401   2HG   GLU  56          2HG       GLU  56  15.252  -7.214   7.045
  402    H    CYS  57           H        CYS  57  16.790 -10.818   8.452
  403    HA   CYS  57           HA       CYS  57  15.179 -12.763   9.922
  404   1HB   CYS  57          1HB       CYS  57  16.947 -14.475   9.241
  405   2HB   CYS  57          2HB       CYS  57  15.708 -14.050   8.077
  406    H    THR  58           H        THR  58  15.741 -12.496  12.054
  407    HA   THR  58           HA       THR  58  18.529 -11.724  12.615
  408    HB   THR  58           HB       THR  58  16.703 -10.034  13.153
  409    HG1  THR  58           HG1      THR  58  18.256  -9.691  14.691
  410   1HG2  THR  58          1HG2      THR  58  15.182 -12.126  14.025
  411   2HG2  THR  58          2HG2      THR  58  15.989 -11.698  15.552
  412   3HG2  THR  58          3HG2      THR  58  15.014 -10.484  14.691
  413    H    PHE  59           H        PHE  59  15.802 -13.888  13.433
  414    HA   PHE  59           HA       PHE  59  16.913 -15.104  15.643
  415   1HB   PHE  59          1HB       PHE  59  14.586 -15.416  14.772
  416   2HB   PHE  59          2HB       PHE  59  15.208 -16.141  13.302
  417    HD1  PHE  59           HD1      PHE  59  16.210 -18.408  13.369
  418    HD2  PHE  59           HD2      PHE  59  14.344 -16.699  16.776
  419    HE1  PHE  59           HE1      PHE  59  16.052 -20.681  14.422
  420    HE2  PHE  59           HE2      PHE  59  14.186 -18.972  17.829
  421    HZ   PHE  59           HZ       PHE  59  15.042 -20.936  16.639

  No H/Q in entry =         421
  Start of MODEL    2
    1    H    GLU   1           H        GLU   1  11.649 -15.814  12.278
    2    HA   GLU   1           HA       GLU   1  11.627 -16.861  14.556
    3   1HB   GLU   1          1HB       GLU   1  14.110 -15.174  14.589
    4   2HB   GLU   1          2HB       GLU   1  13.149 -15.196  16.054
    5   1HG   GLU   1          1HG       GLU   1  13.618 -17.413  16.502
    6   2HG   GLU   1          2HG       GLU   1  13.600 -17.873  14.811
    7    H    GLU   2           H        GLU   2  12.559 -13.373  14.056
    8    HA   GLU   2           HA       GLU   2   9.859 -12.727  14.954
    9   1HB   GLU   2          1HB       GLU   2  11.572 -11.972  16.551
   10   2HB   GLU   2          2HB       GLU   2  12.446 -11.144  15.277
   11   1HG   GLU   2          1HG       GLU   2  11.093  -9.319  15.407
   12   2HG   GLU   2          2HG       GLU   2   9.643 -10.298  15.307
   13    H    TYR   3           H        TYR   3   8.609 -12.184  13.216
   14    HA   TYR   3           HA       TYR   3   9.892 -10.541  11.137
   15   1HB   TYR   3          1HB       TYR   3   8.577 -11.828   9.561
   16   2HB   TYR   3          2HB       TYR   3   9.128 -13.034  10.706
   17    HD1  TYR   3           HD1      TYR   3   7.542 -13.787  12.553
   18    HD2  TYR   3           HD2      TYR   3   6.260 -11.421   9.227
   19    HE1  TYR   3           HE1      TYR   3   5.130 -14.459  12.995
   20    HE2  TYR   3           HE2      TYR   3   3.853 -12.102   9.680
   21    HH   TYR   3           HH       TYR   3   3.086 -14.382  12.291
   22    H    VAL   4           H        VAL   4   8.922  -8.614  10.632
   23    HA   VAL   4           HA       VAL   4   6.303  -8.140  11.879
   24    HB   VAL   4           HB       VAL   4   7.028  -5.765  12.011
   25   1HG1  VAL   4          1HG1      VAL   4   8.599  -7.873  13.519
   26   2HG1  VAL   4          2HG1      VAL   4   8.646  -6.141  13.929
   27   3HG1  VAL   4          3HG1      VAL   4   7.110  -7.037  14.023
   28   1HG2  VAL   4          1HG2      VAL   4   9.731  -6.910  11.230
   29   2HG2  VAL   4          2HG2      VAL   4   8.758  -5.740  10.307
   30   3HG2  VAL   4          3HG2      VAL   4   9.460  -5.273  11.875
   31    H    GLY   5           H        GLY   5   4.719  -8.046  10.379
   32   1HA   GLY   5          1HA       GLY   5   4.739  -8.230   7.770
   33   2HA   GLY   5          2HA       GLY   5   5.244  -6.557   7.910
   34    H    LEU   6           H        LEU   6   3.561  -6.578  10.613
   35    HA   LEU   6           HA       LEU   6   0.904  -6.545   9.409
   36   1HB   LEU   6          1HB       LEU   6   0.067  -6.549  11.651
   37   2HB   LEU   6          2HB       LEU   6   1.232  -7.843  11.446
   38    HG   LEU   6           HG       LEU   6   2.611  -5.529  12.438
   39   1HD1  LEU   6          1HD1      LEU   6   0.008  -6.167  13.808
   40   2HD1  LEU   6          2HD1      LEU   6   1.405  -5.548  14.721
   41   3HD1  LEU   6          3HD1      LEU   6   0.712  -4.586  13.394
   42   1HD2  LEU   6          1HD2      LEU   6   1.978  -8.240  13.632
   43   2HD2  LEU   6          2HD2      LEU   6   3.430  -7.774  12.713
   44   3HD2  LEU   6          3HD2      LEU   6   3.130  -7.068  14.319
   45    H    SER   7           H        SER   7   0.904  -4.648   8.175
   46    HA   SER   7           HA       SER   7   0.714  -2.526   7.770
   47   1HB   SER   7          1HB       SER   7  -0.446  -1.161   9.295
   48   2HB   SER   7          2HB       SER   7  -0.888  -2.777   9.811
   49    HG   SER   7           HG       SER   7   1.047  -0.997  11.005
   50    H    ALA   8           H        ALA   8   1.933  -0.491   7.741
   51    HA   ALA   8           HA       ALA   8   3.739   0.770   7.958
   52   1HB   ALA   8          1HB       ALA   8   4.642   1.113  10.079
   53   2HB   ALA   8          2HB       ALA   8   4.541  -0.610  10.516
   54   3HB   ALA   8          3HB       ALA   8   3.067   0.387  10.478
   55    H    ASN   9           H        ASN   9   4.905  -2.262   9.584
   56    HA   ASN   9           HA       ASN   9   7.332  -2.316   8.444
   57   1HB   ASN   9          1HB       ASN   9   5.613  -4.809   8.895
   58   2HB   ASN   9          2HB       ASN   9   7.363  -4.730   8.944
   59   2HD2  ASN   9          2HD2      ASN   9   4.577  -4.709  10.732
   60   1HD2  ASN   9          1HD2      ASN   9   5.152  -4.055  12.229
   61    H    GLN  10           H        GLN  10   4.176  -3.030   7.016
   62    HA   GLN  10           HA       GLN  10   5.362  -4.376   4.765
   63   1HB   GLN  10          1HB       GLN  10   2.829  -4.296   4.017
   64   2HB   GLN  10          2HB       GLN  10   3.335  -5.401   5.280
   65   1HG   GLN  10          1HG       GLN  10   2.462  -4.015   7.018
   66   2HG   GLN  10          2HG       GLN  10   2.395  -2.601   5.985
   67   2HE2  GLN  10          2HE2      GLN  10   1.251  -5.978   5.861
   68   1HE2  GLN  10          1HE2      GLN  10  -0.387  -5.637   5.411
   69    H    CYS  11           H        CYS  11   3.844  -1.254   5.659
   70    HA   CYS  11           HA       CYS  11   4.378  -0.323   2.936
   71   1HB   CYS  11          1HB       CYS  11   2.775   1.392   4.716
   72   2HB   CYS  11          2HB       CYS  11   2.568   1.010   3.018
   73    H    ALA  12           H        ALA  12   6.576  -0.691   4.659
   74    HA   ALA  12           HA       ALA  12   7.091   1.966   5.773
   75   1HB   ALA  12          1HB       ALA  12   9.199   0.522   6.576
   76   2HB   ALA  12          2HB       ALA  12   7.642   0.468   7.436
   77   3HB   ALA  12          3HB       ALA  12   8.069  -0.821   6.285
   78    H    VAL  13           H        VAL  13   6.939   1.774   2.942
   79    HA   VAL  13           HA       VAL  13   9.710   1.589   2.068
   80    HB   VAL  13           HB       VAL  13   7.672   2.375   0.121
   81   1HG1  VAL  13          1HG1      VAL  13  10.094   0.804   0.297
   82   2HG1  VAL  13          2HG1      VAL  13   8.811  -0.124  -0.516
   83   3HG1  VAL  13          3HG1      VAL  13   9.281   1.477  -1.137
   84   1HG2  VAL  13          1HG2      VAL  13   7.261  -0.074   1.829
   85   2HG2  VAL  13          2HG2      VAL  13   6.070   1.117   1.253
   86   3HG2  VAL  13          3HG2      VAL  13   6.763  -0.067   0.119
   87    HA   PRO  14           HA       PRO  14  10.217   5.879   2.061
   88   1HB   PRO  14          1HB       PRO  14  12.144   6.207   0.150
   89   2HB   PRO  14          2HB       PRO  14  12.495   5.687   1.787
   90   1HG   PRO  14          1HG       PRO  14  12.442   4.084  -0.697
   91   2HG   PRO  14          2HG       PRO  14  13.188   3.700   0.842
   92   1HD   PRO  14          1HD       PRO  14  10.729   2.639  -0.187
   93   2HD   PRO  14          2HD       PRO  14  11.416   2.345   1.399
   94    H    ALA  15           H        ALA  15  10.287   4.808  -1.313
   95    HA   ALA  15           HA       ALA  15   7.939   5.723  -2.161
   96   1HB   ALA  15          1HB       ALA  15   9.631   7.995  -1.365
   97   2HB   ALA  15          2HB       ALA  15   7.883   7.935  -1.696
   98   3HB   ALA  15          3HB       ALA  15   9.037   8.116  -3.038
   99    H    LYS  16           H        LYS  16  11.420   5.449  -2.574
  100    HA   LYS  16           HA       LYS  16  11.147   5.379  -5.469
  101   1HB   LYS  16          1HB       LYS  16  13.570   5.345  -5.498
  102   2HB   LYS  16          2HB       LYS  16  13.000   6.653  -4.481
  103   1HG   LYS  16          1HG       LYS  16  14.510   5.785  -2.981
  104   2HG   LYS  16          2HG       LYS  16  13.190   4.701  -2.590
  105   1HD   LYS  16          1HD       LYS  16  14.079   3.063  -4.300
  106   2HD   LYS  16          2HD       LYS  16  15.439   4.133  -4.578
  107   1HE   LYS  16          1HE       LYS  16  15.670   3.961  -1.898
  108   2HE   LYS  16          2HE       LYS  16  14.805   2.458  -2.150
  109   1HZ   LYS  16          1HZ       LYS  16  16.578   2.170  -4.000
  110   2HZ   LYS  16          2HZ       LYS  16  17.440   3.219  -3.092
  111   3HZ   LYS  16          3HZ       LYS  16  16.937   1.804  -2.449
  112    H    ASP  17           H        ASP  17  10.348   3.331  -3.066
  113    HA   ASP  17           HA       ASP  17  11.367   1.041  -4.557
  114   1HB   ASP  17          1HB       ASP  17  11.376   1.664  -1.696
  115   2HB   ASP  17          2HB       ASP  17  10.499   0.176  -1.989
  116    H    ARG  18           H        ARG  18   8.776   2.932  -4.404
  117    HA   ARG  18           HA       ARG  18   6.759   1.141  -3.572
  118   1HB   ARG  18          1HB       ARG  18   6.369   3.582  -5.359
  119   2HB   ARG  18          2HB       ARG  18   5.214   2.884  -4.242
  120   1HG   ARG  18          1HG       ARG  18   7.849   4.208  -3.441
  121   2HG   ARG  18          2HG       ARG  18   6.270   4.962  -3.333
  122   1HD   ARG  18          1HD       ARG  18   5.574   2.963  -1.835
  123   2HD   ARG  18          2HD       ARG  18   7.274   2.542  -1.772
  124    HE   ARG  18           HE       ARG  18   7.560   4.252  -0.221
  125   1HH1  ARG  18          1HH1      ARG  18   4.787   5.042  -2.239
  126   2HH1  ARG  18          2HH1      ARG  18   4.412   6.496  -1.376
  127   1HH2  ARG  18          1HH2      ARG  18   7.066   6.171   0.917
  128   2HH2  ARG  18          2HH2      ARG  18   5.717   7.143   0.431
  129    H    VAL  19           H        VAL  19   6.047  -0.599  -4.764
  130    HA   VAL  19           HA       VAL  19   6.746  -0.760  -7.550
  131    HB   VAL  19           HB       VAL  19   5.031  -2.721  -6.064
  132   1HG1  VAL  19          1HG1      VAL  19   6.164  -2.669  -8.603
  133   2HG1  VAL  19          2HG1      VAL  19   7.261  -3.715  -7.670
  134   3HG1  VAL  19          3HG1      VAL  19   5.526  -4.100  -7.758
  135   1HG2  VAL  19          1HG2      VAL  19   7.837  -1.970  -5.436
  136   2HG2  VAL  19          2HG2      VAL  19   6.583  -2.702  -4.407
  137   3HG2  VAL  19          3HG2      VAL  19   7.492  -3.712  -5.557
  138    H    ASP  20           H        ASP  20   4.225   0.625  -5.725
  139    HA   ASP  20           HA       ASP  20   2.285   1.447  -6.231
  140   1HB   ASP  20          1HB       ASP  20   3.203   2.563  -8.129
  141   2HB   ASP  20          2HB       ASP  20   3.409   1.070  -9.022
  142    H    CYS  21           H        CYS  21   0.426   0.254  -5.787
  143    HA   CYS  21           HA       CYS  21   0.191  -2.387  -6.892
  144   1HB   CYS  21          1HB       CYS  21  -0.451  -1.365  -4.485
  145   2HB   CYS  21          2HB       CYS  21  -2.006  -1.211  -5.278
  146    H    GLY  22           H        GLY  22  -0.925   0.896  -7.477
  147   1HA   GLY  22          1HA       GLY  22  -2.189   0.162  -9.918
  148   2HA   GLY  22          2HA       GLY  22  -2.125   1.752  -9.184
  149    H    TYR  23           H        TYR  23  -3.795   2.451  -7.734
  150    HA   TYR  23           HA       TYR  23  -6.230   0.850  -7.997
  151   1HB   TYR  23          1HB       TYR  23  -4.683   1.789  -5.558
  152   2HB   TYR  23          2HB       TYR  23  -6.428   1.906  -5.456
  153    HD1  TYR  23           HD1      TYR  23  -7.732  -0.315  -6.165
  154    HD2  TYR  23           HD2      TYR  23  -3.660  -0.180  -4.861
  155    HE1  TYR  23           HE1      TYR  23  -7.852  -2.770  -5.513
  156    HE2  TYR  23           HE2      TYR  23  -3.793  -2.634  -4.213
  157    HH   TYR  23           HH       TYR  23  -6.167  -4.190  -3.533
  158    HA   PRO  24           HA       PRO  24  -7.920   4.752  -8.808
  159   1HB   PRO  24          1HB       PRO  24 -10.583   4.222  -8.492
  160   2HB   PRO  24          2HB       PRO  24  -9.692   3.822  -9.948
  161   1HG   PRO  24          1HG       PRO  24 -10.625   2.026  -7.793
  162   2HG   PRO  24          2HG       PRO  24 -10.125   1.619  -9.422
  163   1HD   PRO  24          1HD       PRO  24  -8.599   1.266  -7.020
  164   2HD   PRO  24          2HD       PRO  24  -8.057   0.967  -8.660
  165    H    HIS  25           H        HIS  25 -10.031   3.509  -6.267
  166    HA   HIS  25           HA       HIS  25  -9.702   6.067  -4.947
  167   1HB   HIS  25          1HB       HIS  25 -11.645   5.533  -3.722
  168   2HB   HIS  25          2HB       HIS  25 -11.954   5.028  -5.371
  169    HD1  HIS  25           HD1      HIS  25 -13.458   3.841  -2.859
  170    HD2  HIS  25           HD2      HIS  25 -10.190   2.065  -4.799
  171    HE1  HIS  25           HE1      HIS  25 -13.578   1.349  -2.326
  172    HE2  HIS  25           HE2      HIS  25 -11.576   0.303  -3.589
  173    H    VAL  26           H        VAL  26  -7.506   5.849  -4.218
  174    HA   VAL  26           HA       VAL  26  -7.028   3.663  -2.345
  175    HB   VAL  26           HB       VAL  26  -4.687   4.468  -2.462
  176   1HG1  VAL  26          1HG1      VAL  26  -6.025   3.813  -5.108
  177   2HG1  VAL  26          2HG1      VAL  26  -4.275   3.714  -4.796
  178   3HG1  VAL  26          3HG1      VAL  26  -5.398   2.656  -3.908
  179   1HG2  VAL  26          1HG2      VAL  26  -5.559   6.855  -3.188
  180   2HG2  VAL  26          2HG2      VAL  26  -3.978   6.250  -3.739
  181   3HG2  VAL  26          3HG2      VAL  26  -5.387   6.177  -4.825
  182    H    THR  27           H        THR  27  -6.800   3.969  -0.148
  183    HA   THR  27           HA       THR  27  -6.557   6.672   0.872
  184    HB   THR  27           HB       THR  27  -8.665   6.729   1.955
  185    HG1  THR  27           HG1      THR  27  -9.832   4.619   2.164
  186   1HG2  THR  27          1HG2      THR  27  -9.145   5.047  -0.562
  187   2HG2  THR  27          2HG2      THR  27 -10.418   5.890   0.353
  188   3HG2  THR  27          3HG2      THR  27  -9.153   6.825  -0.480
  189    HA   PRO  28           HA       PRO  28  -4.529   4.673   4.085
  190   1HB   PRO  28          1HB       PRO  28  -5.172   6.095   6.328
  191   2HB   PRO  28          2HB       PRO  28  -3.997   6.644   5.150
  192   1HG   PRO  28          1HG       PRO  28  -6.762   7.593   5.591
  193   2HG   PRO  28          2HG       PRO  28  -5.452   8.385   4.738
  194   1HD   PRO  28          1HD       PRO  28  -7.691   7.028   3.565
  195   2HD   PRO  28          2HD       PRO  28  -6.322   7.720   2.717
  196    H    LYS  29           H        LYS  29  -6.904   3.359   3.321
  197    HA   LYS  29           HA       LYS  29  -7.090   1.560   5.428
  198   1HB   LYS  29          1HB       LYS  29  -8.335   3.690   6.337
  199   2HB   LYS  29          2HB       LYS  29  -9.641   3.144   5.304
  200   1HG   LYS  29          1HG       LYS  29  -8.503   0.904   6.820
  201   2HG   LYS  29          2HG       LYS  29  -9.012   2.190   7.895
  202   1HD   LYS  29          1HD       LYS  29 -10.993   1.725   5.772
  203   2HD   LYS  29          2HD       LYS  29 -10.672   0.259   6.676
  204   1HE   LYS  29          1HE       LYS  29 -10.845   2.205   8.687
  205   2HE   LYS  29          2HE       LYS  29 -12.059   2.725   7.535
  206   1HZ   LYS  29          1HZ       LYS  29 -11.857  -0.001   8.613
  207   2HZ   LYS  29          2HZ       LYS  29 -12.903   1.136   9.142
  208   3HZ   LYS  29          3HZ       LYS  29 -13.029   0.554   7.621
  209    H    GLU  30           H        GLU  30  -8.716   3.177   2.658
  210    HA   GLU  30           HA       GLU  30 -10.075   0.798   1.935
  211   1HB   GLU  30          1HB       GLU  30 -10.930   3.098   1.432
  212   2HB   GLU  30          2HB       GLU  30  -9.589   3.347   0.331
  213   1HG   GLU  30          1HG       GLU  30 -10.838   2.409  -1.311
  214   2HG   GLU  30          2HG       GLU  30 -10.705   0.875  -0.474
  215    H    CYS  31           H        CYS  31  -7.079   2.517   0.934
  216    HA   CYS  31           HA       CYS  31  -6.576   0.847  -1.276
  217   1HB   CYS  31          1HB       CYS  31  -5.463   2.830  -1.456
  218   2HB   CYS  31          2HB       CYS  31  -5.078   2.915   0.251
  219    H    ASN  32           H        ASN  32  -5.850   0.790   2.230
  220    HA   ASN  32           HA       ASN  32  -4.078  -1.430   1.925
  221   1HB   ASN  32          1HB       ASN  32  -3.451  -0.927   4.086
  222   2HB   ASN  32          2HB       ASN  32  -4.350   0.556   3.830
  223   2HD2  ASN  32          2HD2      ASN  32  -3.868  -1.790   5.959
  224   1HD2  ASN  32          1HD2      ASN  32  -5.403  -1.898   6.755
  225    H    ASN  33           H        ASN  33  -7.403  -0.998   1.777
  226    HA   ASN  33           HA       ASN  33  -8.013  -3.401   3.275
  227   1HB   ASN  33          1HB       ASN  33  -9.557  -1.607   3.751
  228   2HB   ASN  33          2HB       ASN  33  -9.696  -1.168   2.060
  229   2HD2  ASN  33          2HD2      ASN  33 -11.251  -2.011   0.856
  230   1HD2  ASN  33          1HD2      ASN  33 -12.335  -3.280   1.319
  231    H    ARG  34           H        ARG  34  -8.134  -1.866   0.011
  232    HA   ARG  34           HA       ARG  34  -9.549  -3.798  -1.299
  233   1HB   ARG  34          1HB       ARG  34  -8.383  -1.438  -2.015
  234   2HB   ARG  34          2HB       ARG  34  -7.229  -2.538  -2.743
  235   1HG   ARG  34          1HG       ARG  34  -9.104  -1.879  -4.298
  236   2HG   ARG  34          2HG       ARG  34  -8.959  -3.611  -4.076
  237   1HD   ARG  34          1HD       ARG  34 -10.734  -2.375  -2.063
  238   2HD   ARG  34          2HD       ARG  34 -11.290  -2.089  -3.700
  239    HE   ARG  34           HE       ARG  34 -10.687  -4.772  -3.760
  240   1HH1  ARG  34          1HH1      ARG  34 -12.615  -2.811  -1.564
  241   2HH1  ARG  34          2HH1      ARG  34 -13.690  -4.104  -1.149
  242   1HH2  ARG  34          1HH2      ARG  34 -12.105  -6.478  -3.212
  243   2HH2  ARG  34          2HH2      ARG  34 -13.398  -6.204  -2.093
  244    H    GLY  35           H        GLY  35  -6.238  -3.795  -0.081
  245   1HA   GLY  35          1HA       GLY  35  -5.756  -6.388  -1.425
  246   2HA   GLY  35          2HA       GLY  35  -5.339  -6.058   0.245
  247    H    CYS  36           H        CYS  36  -3.821  -4.109   0.628
  248    HA   CYS  36           HA       CYS  36  -1.445  -4.524  -0.602
  249   1HB   CYS  36          1HB       CYS  36  -3.114  -3.187  -2.424
  250   2HB   CYS  36          2HB       CYS  36  -2.029  -1.958  -1.805
  251    H    CYS  37           H        CYS  37  -0.514  -1.713  -0.667
  252    HA   CYS  37           HA       CYS  37  -1.094  -0.986   2.113
  253   1HB   CYS  37          1HB       CYS  37   1.489  -1.283   0.669
  254   2HB   CYS  37          2HB       CYS  37   1.349   0.069   1.776
  255    H    PHE  38           H        PHE  38  -1.077   1.361   2.535
  256    HA   PHE  38           HA       PHE  38  -1.487   2.903   0.069
  257   1HB   PHE  38          1HB       PHE  38  -3.548   2.590   1.416
  258   2HB   PHE  38          2HB       PHE  38  -2.697   3.000   2.892
  259    HD1  PHE  38           HD1      PHE  38  -4.003   4.380  -0.274
  260    HD2  PHE  38           HD2      PHE  38  -2.442   5.260   3.573
  261    HE1  PHE  38           HE1      PHE  38  -4.689   6.779  -0.545
  262    HE2  PHE  38           HE2      PHE  38  -3.127   7.660   3.302
  263    HZ   PHE  38           HZ       PHE  38  -4.242   8.391   1.247
  264    H    ASP  39           H        ASP  39  -1.277   5.414   0.629
  265    HA   ASP  39           HA       ASP  39   0.369   6.205   2.678
  266   1HB   ASP  39          1HB       ASP  39   2.127   4.863   1.577
  267   2HB   ASP  39          2HB       ASP  39   1.818   5.658   0.046
  268    H    SER  40           H        SER  40   0.547   8.537   2.599
  269    HA   SER  40           HA       SER  40  -0.254   9.753   0.086
  270   1HB   SER  40          1HB       SER  40  -1.783  11.291   1.274
  271   2HB   SER  40          2HB       SER  40  -2.284   9.624   1.480
  272    HG   SER  40           HG       SER  40  -2.204   9.994   3.579
  273    H    ARG  41           H        ARG  41   2.249   9.340   1.938
  274    HA   ARG  41           HA       ARG  41   2.888  11.745   3.087
  275   1HB   ARG  41          1HB       ARG  41   4.093   9.297   2.913
  276   2HB   ARG  41          2HB       ARG  41   5.099  10.180   1.782
  277   1HG   ARG  41          1HG       ARG  41   5.234  12.007   3.674
  278   2HG   ARG  41          2HG       ARG  41   4.656  10.737   4.735
  279   1HD   ARG  41          1HD       ARG  41   6.608   9.451   4.501
  280   2HD   ARG  41          2HD       ARG  41   6.972  10.090   2.911
  281    HE   ARG  41           HE       ARG  41   7.098  12.117   5.024
  282   1HH1  ARG  41          1HH1      ARG  41   8.895   9.625   3.308
  283   2HH1  ARG  41          2HH1      ARG  41  10.443  10.308   3.676
  284   1HH2  ARG  41          1HH2      ARG  41   9.141  13.019   5.510
  285   2HH2  ARG  41          2HH2      ARG  41  10.584  12.252   4.937
  286    H    ILE  42           H        ILE  42   3.263  10.532  -0.278
  287    HA   ILE  42           HA       ILE  42   3.578  13.247  -1.188
  288    HB   ILE  42           HB       ILE  42   5.604  12.116  -2.612
  289   1HG1  ILE  42          1HG1      ILE  42   7.145  11.081  -0.979
  290   2HG1  ILE  42          2HG1      ILE  42   5.878  11.095   0.231
  291   1HG2  ILE  42          1HG2      ILE  42   5.681  13.791  -0.092
  292   2HG2  ILE  42          2HG2      ILE  42   7.098  13.489  -1.126
  293   3HG2  ILE  42          3HG2      ILE  42   5.684  14.347  -1.783
  294   1HD1  ILE  42          1HD1      ILE  42   5.170   9.855  -2.404
  295   2HD1  ILE  42          2HD1      ILE  42   6.329   8.968  -1.385
  296   3HD1  ILE  42          3HD1      ILE  42   4.711   9.363  -0.756
  297    HA   PRO  43           HA       PRO  43   1.158  11.343  -4.242
  298   1HB   PRO  43          1HB       PRO  43   0.775  13.510  -5.862
  299   2HB   PRO  43          2HB       PRO  43  -0.186  13.203  -4.430
  300   1HG   PRO  43          1HG       PRO  43   1.970  15.187  -4.825
  301   2HG   PRO  43          2HG       PRO  43   0.732  15.143  -3.586
  302   1HD   PRO  43          1HD       PRO  43   3.490  14.417  -3.282
  303   2HD   PRO  43          2HD       PRO  43   2.227  14.264  -2.077
  304    H    GLY  44           H        GLY  44   4.053  13.093  -5.021
  305   1HA   GLY  44          1HA       GLY  44   5.698  12.557  -6.470
  306   2HA   GLY  44          2HA       GLY  44   4.409  12.546  -7.656
  307    H    VAL  45           H        VAL  45   4.464  10.253  -4.922
  308    HA   VAL  45           HA       VAL  45   5.339   8.153  -6.772
  309    HB   VAL  45           HB       VAL  45   6.332   7.106  -5.035
  310   1HG1  VAL  45          1HG1      VAL  45   6.193   9.992  -4.119
  311   2HG1  VAL  45          2HG1      VAL  45   7.251   8.773  -3.367
  312   3HG1  VAL  45          3HG1      VAL  45   7.467   9.204  -5.081
  313   1HG2  VAL  45          1HG2      VAL  45   4.029   8.127  -3.405
  314   2HG2  VAL  45          2HG2      VAL  45   4.626   6.464  -3.621
  315   3HG2  VAL  45          3HG2      VAL  45   5.513   7.600  -2.575
  316    HA   PRO  46           HA       PRO  46   1.490   6.201  -6.483
  317   1HB   PRO  46          1HB       PRO  46   2.029   3.543  -6.143
  318   2HB   PRO  46          2HB       PRO  46   2.166   4.359  -7.688
  319   1HG   PRO  46          1HG       PRO  46   4.316   3.480  -5.859
  320   2HG   PRO  46          2HG       PRO  46   4.422   3.898  -7.558
  321   1HD   PRO  46          1HD       PRO  46   5.236   5.521  -5.338
  322   2HD   PRO  46          2HD       PRO  46   5.234   5.982  -7.028
  323    H    TRP  47           H        TRP  47   0.597   7.285  -4.706
  324    HA   TRP  47           HA       TRP  47   0.985   6.945  -2.136
  325   1HB   TRP  47          1HB       TRP  47  -1.523   7.209  -3.721
  326   2HB   TRP  47          2HB       TRP  47  -1.673   6.861  -2.010
  327    HD1  TRP  47           HD1      TRP  47   1.192   9.148  -3.177
  328    HE1  TRP  47           HE1      TRP  47   0.845  11.627  -2.339
  329    HE3  TRP  47           HE3      TRP  47  -3.513   8.440  -1.383
  330    HZ2  TRP  47           HZ2      TRP  47  -1.310  12.982  -1.049
  331    HZ3  TRP  47           HZ3      TRP  47  -4.668  10.393  -0.350
  332    HH2  TRP  47           HH2      TRP  47  -3.642  12.604  -0.168
  333    H    CYS  48           H        CYS  48  -1.051   4.659  -4.108
  334    HA   CYS  48           HA       CYS  48  -0.892   2.750  -1.935
  335   1HB   CYS  48          1HB       CYS  48  -3.009   3.340  -3.296
  336   2HB   CYS  48          2HB       CYS  48  -2.320   2.329  -4.551
  337    H    PHE  49           H        PHE  49   0.883   1.415  -1.899
  338    HA   PHE  49           HA       PHE  49   1.827   0.406  -4.478
  339   1HB   PHE  49          1HB       PHE  49   4.168   0.617  -3.328
  340   2HB   PHE  49          2HB       PHE  49   3.434   2.116  -3.863
  341    HD1  PHE  49           HD1      PHE  49   3.614  -0.060  -0.835
  342    HD2  PHE  49           HD2      PHE  49   3.315   3.882  -2.377
  343    HE1  PHE  49           HE1      PHE  49   3.807   0.865   1.491
  344    HE2  PHE  49           HE2      PHE  49   3.508   4.807  -0.051
  345    HZ   PHE  49           HZ       PHE  49   3.752   3.287   1.855
  346    H    LYS  50           H        LYS  50   3.257  -1.588  -4.183
  347    HA   LYS  50           HA       LYS  50   1.885  -3.440  -2.583
  348   1HB   LYS  50          1HB       LYS  50   4.601  -3.730  -3.900
  349   2HB   LYS  50          2HB       LYS  50   3.547  -5.027  -3.375
  350   1HG   LYS  50          1HG       LYS  50   1.756  -3.945  -4.952
  351   2HG   LYS  50          2HG       LYS  50   3.098  -3.054  -5.644
  352   1HD   LYS  50          1HD       LYS  50   3.062  -4.946  -7.023
  353   2HD   LYS  50          2HD       LYS  50   4.253  -5.426  -5.831
  354   1HE   LYS  50          1HE       LYS  50   2.791  -6.924  -4.757
  355   2HE   LYS  50          2HE       LYS  50   1.354  -6.062  -5.273
  356   1HZ   LYS  50          1HZ       LYS  50   2.919  -7.105  -7.424
  357   2HZ   LYS  50          2HZ       LYS  50   2.303  -8.255  -6.442
  358   3HZ   LYS  50          3HZ       LYS  50   1.307  -7.186  -7.173
  359    HA   PRO  51           HA       PRO  51   4.032  -3.260   1.156
  360   1HB   PRO  51          1HB       PRO  51   4.085  -5.859   1.999
  361   2HB   PRO  51          2HB       PRO  51   2.670  -4.835   2.137
  362   1HG   PRO  51          1HG       PRO  51   3.192  -7.029   0.225
  363   2HG   PRO  51          2HG       PRO  51   1.662  -6.292   0.660
  364   1HD   PRO  51          1HD       PRO  51   3.163  -5.840  -1.742
  365   2HD   PRO  51          2HD       PRO  51   1.694  -5.019  -1.254
  366    H    LEU  52           H        LEU  52   6.054  -2.706   1.639
  367    HA   LEU  52           HA       LEU  52   8.171  -3.239   0.122
  368   1HB   LEU  52          1HB       LEU  52   8.457  -1.705   1.824
  369   2HB   LEU  52          2HB       LEU  52   7.882  -2.800   3.066
  370    HG   LEU  52           HG       LEU  52  10.499  -3.219   1.607
  371   1HD1  LEU  52          1HD1      LEU  52   9.825  -1.344   3.796
  372   2HD1  LEU  52          2HD1      LEU  52  11.279  -2.340   4.040
  373   3HD1  LEU  52          3HD1      LEU  52  11.143  -1.302   2.601
  374   1HD2  LEU  52          1HD2      LEU  52   8.997  -4.765   3.497
  375   2HD2  LEU  52          2HD2      LEU  52  10.548  -5.141   2.709
  376   3HD2  LEU  52          3HD2      LEU  52  10.525  -4.244   4.246
  377    H    GLN  53           H        GLN  53   9.515  -4.910  -0.413
  378    HA   GLN  53           HA       GLN  53   8.675  -7.488   0.240
  379   1HB   GLN  53          1HB       GLN  53  10.709  -8.204  -1.012
  380   2HB   GLN  53          2HB       GLN  53   9.783  -6.998  -1.883
  381   1HG   GLN  53          1HG       GLN  53  11.766  -5.749  -0.105
  382   2HG   GLN  53          2HG       GLN  53  12.525  -6.862  -1.226
  383   2HE2  GLN  53          2HE2      GLN  53  11.203  -3.802  -0.767
  384   1HE2  GLN  53          1HE2      GLN  53  11.170  -3.236  -2.404
  385    H    GLU  54           H        GLU  54   8.679  -7.184   2.673
  386    HA   GLU  54           HA       GLU  54  10.845  -6.683   4.179
  387   1HB   GLU  54          1HB       GLU  54   9.711  -7.790   5.970
  388   2HB   GLU  54          2HB       GLU  54   8.450  -7.174   4.921
  389   1HG   GLU  54          1HG       GLU  54   7.659  -9.333   5.119
  390   2HG   GLU  54          2HG       GLU  54   8.745  -9.605   3.770
  391    H    ALA  55           H        ALA  55  12.891  -7.499   4.084
  392    HA   ALA  55           HA       ALA  55  13.159 -10.404   3.930
  393   1HB   ALA  55          1HB       ALA  55  13.712 -10.127   1.736
  394   2HB   ALA  55          2HB       ALA  55  15.273  -9.595   2.406
  395   3HB   ALA  55          3HB       ALA  55  14.051  -8.391   1.934
  396    H    GLU  56           H        GLU  56  14.386 -11.081   5.612
  397    HA   GLU  56           HA       GLU  56  15.891 -11.124   7.179
  398   1HB   GLU  56          1HB       GLU  56  17.308 -10.049   5.163
  399   2HB   GLU  56          2HB       GLU  56  17.354  -8.667   6.239
  400   1HG   GLU  56          1HG       GLU  56  19.128  -9.701   7.228
  401   2HG   GLU  56          2HG       GLU  56  17.940 -10.742   7.986
  402    H    CYS  57           H        CYS  57  15.628  -7.554   6.497
  403    HA   CYS  57           HA       CYS  57  14.241  -7.245   9.016
  404   1HB   CYS  57          1HB       CYS  57  16.764  -7.080   9.410
  405   2HB   CYS  57          2HB       CYS  57  16.705  -5.589   8.491
  406    H    THR  58           H        THR  58  16.014  -5.317   6.475
  407    HA   THR  58           HA       THR  58  13.458  -4.170   5.653
  408    HB   THR  58           HB       THR  58  14.232  -2.587   7.341
  409    HG1  THR  58           HG1      THR  58  13.553  -1.638   5.315
  410   1HG2  THR  58          1HG2      THR  58  16.692  -3.364   7.283
  411   2HG2  THR  58          2HG2      THR  58  16.862  -2.411   5.790
  412   3HG2  THR  58          3HG2      THR  58  16.453  -1.601   7.321
  413    H    PHE  59           H        PHE  59  17.021  -4.420   5.127
  414    HA   PHE  59           HA       PHE  59  16.452  -4.915   2.334
  415   1HB   PHE  59          1HB       PHE  59  16.771  -2.375   2.774
  416   2HB   PHE  59          2HB       PHE  59  18.390  -2.745   3.334
  417    HD1  PHE  59           HD1      PHE  59  16.243  -3.453   0.355
  418    HD2  PHE  59           HD2      PHE  59  20.098  -2.459   1.822
  419    HE1  PHE  59           HE1      PHE  59  17.096  -3.286  -2.000
  420    HE2  PHE  59           HE2      PHE  59  20.951  -2.292  -0.533
  421    HZ   PHE  59           HZ       PHE  59  19.440  -2.707  -2.416

  No H/Q in entry =         421
  Start of MODEL    3
    1    H    GLU   1           H        GLU   1   6.888 -14.073  12.583
    2    HA   GLU   1           HA       GLU   1   6.256 -14.902  14.806
    3   1HB   GLU   1          1HB       GLU   1   8.594 -13.848  14.038
    4   2HB   GLU   1          2HB       GLU   1   8.177 -12.614  15.211
    5   1HG   GLU   1          1HG       GLU   1   7.853 -14.395  16.952
    6   2HG   GLU   1          2HG       GLU   1   8.303 -15.615  15.777
    7    H    GLU   2           H        GLU   2   6.659 -11.280  14.821
    8    HA   GLU   2           HA       GLU   2   4.257 -11.167  16.445
    9   1HB   GLU   2          1HB       GLU   2   6.776 -10.947  17.588
   10   2HB   GLU   2          2HB       GLU   2   6.371  -9.268  17.291
   11   1HG   GLU   2          1HG       GLU   2   4.114 -10.826  18.416
   12   2HG   GLU   2          2HG       GLU   2   5.512 -10.781  19.472
   13    H    TYR   3           H        TYR   3   4.142 -10.652  13.787
   14    HA   TYR   3           HA       TYR   3   3.385  -7.934  13.714
   15   1HB   TYR   3          1HB       TYR   3   5.560  -7.201  13.215
   16   2HB   TYR   3          2HB       TYR   3   6.108  -8.829  12.867
   17    HD1  TYR   3           HD1      TYR   3   3.434  -6.762  11.237
   18    HD2  TYR   3           HD2      TYR   3   7.197  -8.753  10.808
   19    HE1  TYR   3           HE1      TYR   3   3.438  -6.234   8.750
   20    HE2  TYR   3           HE2      TYR   3   7.188  -8.218   8.322
   21    HH   TYR   3           HH       TYR   3   5.810  -6.072   6.948
   22    H    VAL   4           H        VAL   4   1.506  -8.194  12.613
   23    HA   VAL   4           HA       VAL   4   1.451  -8.880   9.939
   24    HB   VAL   4           HB       VAL   4   1.996 -11.114  10.463
   25   1HG1  VAL   4          1HG1      VAL   4   1.238 -10.737  12.959
   26   2HG1  VAL   4          2HG1      VAL   4  -0.280 -11.470  12.388
   27   3HG1  VAL   4          3HG1      VAL   4   1.249 -12.370  12.251
   28   1HG2  VAL   4          1HG2      VAL   4  -0.051 -10.613   8.954
   29   2HG2  VAL   4          2HG2      VAL   4   0.213 -12.286   9.504
   30   3HG2  VAL   4          3HG2      VAL   4  -1.013 -11.270  10.300
   31    H    GLY   5           H        GLY   5   0.008  -7.227   9.635
   32   1HA   GLY   5          1HA       GLY   5  -2.323  -7.057  11.398
   33   2HA   GLY   5          2HA       GLY   5  -2.608  -7.375   9.699
   34    H    LEU   6           H        LEU   6  -1.723  -4.981  12.104
   35    HA   LEU   6           HA       LEU   6  -2.526  -2.807  10.773
   36   1HB   LEU   6          1HB       LEU   6  -1.369  -1.520  12.326
   37   2HB   LEU   6          2HB       LEU   6  -1.729  -3.025  13.148
   38    HG   LEU   6           HG       LEU   6   0.703  -3.690  12.358
   39   1HD1  LEU   6          1HD1      LEU   6   0.544  -0.866  11.667
   40   2HD1  LEU   6          2HD1      LEU   6   1.877  -1.211  12.796
   41   3HD1  LEU   6          3HD1      LEU   6   1.772  -2.084  11.248
   42   1HD2  LEU   6          1HD2      LEU   6  -0.311  -2.230  14.720
   43   2HD2  LEU   6          2HD2      LEU   6   0.571  -3.772  14.603
   44   3HD2  LEU   6          3HD2      LEU   6   1.457  -2.231  14.511
   45    H    SER   7           H        SER   7  -1.597  -1.165   9.433
   46    HA   SER   7           HA       SER   7   0.367  -2.289   7.657
   47   1HB   SER   7          1HB       SER   7  -0.172   0.008   6.444
   48   2HB   SER   7          2HB       SER   7  -1.313  -1.320   6.379
   49    HG   SER   7           HG       SER   7  -2.731  -0.008   7.282
   50    H    ALA   8           H        ALA   8   2.481  -1.506   7.402
   51    HA   ALA   8           HA       ALA   8   3.463   0.939   7.971
   52   1HB   ALA   8          1HB       ALA   8   2.720  -0.419  10.422
   53   2HB   ALA   8          2HB       ALA   8   4.480  -0.155  10.377
   54   3HB   ALA   8          3HB       ALA   8   3.368   1.223  10.198
   55    H    ASN   9           H        ASN   9   4.524  -2.226   9.403
   56    HA   ASN   9           HA       ASN   9   7.075  -2.065   8.504
   57   1HB   ASN   9          1HB       ASN   9   5.278  -4.152   9.546
   58   2HB   ASN   9          2HB       ASN   9   6.412  -4.828   8.394
   59   2HD2  ASN   9          2HD2      ASN   9   7.578  -5.948   9.890
   60   1HD2  ASN   9          1HD2      ASN   9   8.624  -5.216  11.060
   61    H    GLN  10           H        GLN  10   4.093  -3.289   6.902
   62    HA   GLN  10           HA       GLN  10   5.524  -4.320   4.675
   63   1HB   GLN  10          1HB       GLN  10   2.586  -3.743   4.488
   64   2HB   GLN  10          2HB       GLN  10   3.478  -5.161   3.972
   65   1HG   GLN  10          1HG       GLN  10   2.580  -6.130   5.843
   66   2HG   GLN  10          2HG       GLN  10   3.883  -5.311   6.682
   67   2HE2  GLN  10          2HE2      GLN  10   0.502  -5.202   5.777
   68   1HE2  GLN  10          1HE2      GLN  10  -0.034  -4.063   6.967
   69    H    CYS  11           H        CYS  11   3.879  -1.289   5.574
   70    HA   CYS  11           HA       CYS  11   4.403  -0.281   2.879
   71   1HB   CYS  11          1HB       CYS  11   2.809   1.382   4.713
   72   2HB   CYS  11          2HB       CYS  11   2.582   1.030   3.011
   73    H    ALA  12           H        ALA  12   6.608  -0.687   4.608
   74    HA   ALA  12           HA       ALA  12   7.122   1.952   5.762
   75   1HB   ALA  12          1HB       ALA  12   9.187   0.611   6.640
   76   2HB   ALA  12          2HB       ALA  12   7.589   0.293   7.355
   77   3HB   ALA  12          3HB       ALA  12   8.259  -0.823   6.141
   78    H    VAL  13           H        VAL  13   6.959   1.738   2.905
   79    HA   VAL  13           HA       VAL  13   9.731   1.618   2.032
   80    HB   VAL  13           HB       VAL  13   7.687   2.389   0.090
   81   1HG1  VAL  13          1HG1      VAL  13  10.085   0.725   0.300
   82   2HG1  VAL  13          2HG1      VAL  13   8.795  -0.044  -0.655
   83   3HG1  VAL  13          3HG1      VAL  13   9.396   1.570  -1.107
   84   1HG2  VAL  13          1HG2      VAL  13   7.297  -0.076   1.780
   85   2HG2  VAL  13          2HG2      VAL  13   6.097   1.114   1.224
   86   3HG2  VAL  13          3HG2      VAL  13   6.792  -0.053   0.073
   87    HA   PRO  14           HA       PRO  14  10.175   5.915   2.067
   88   1HB   PRO  14          1HB       PRO  14  12.118   6.282   0.180
   89   2HB   PRO  14          2HB       PRO  14  12.459   5.758   1.818
   90   1HG   PRO  14          1HG       PRO  14  12.457   4.168  -0.675
   91   2HG   PRO  14          2HG       PRO  14  13.190   3.786   0.870
   92   1HD   PRO  14          1HD       PRO  14  10.760   2.695  -0.192
   93   2HD   PRO  14          2HD       PRO  14  11.432   2.402   1.399
   94    H    ALA  15           H        ALA  15  10.280   4.848  -1.307
   95    HA   ALA  15           HA       ALA  15   7.933   5.742  -2.174
   96   1HB   ALA  15          1HB       ALA  15   9.605   8.035  -1.374
   97   2HB   ALA  15          2HB       ALA  15   7.855   7.950  -1.684
   98   3HB   ALA  15          3HB       ALA  15   8.990   8.149  -3.040
   99    H    LYS  16           H        LYS  16  11.412   5.473  -2.550
  100    HA   LYS  16           HA       LYS  16  11.172   5.425  -5.450
  101   1HB   LYS  16          1HB       LYS  16  13.598   5.398  -5.452
  102   2HB   LYS  16          2HB       LYS  16  13.008   6.705  -4.446
  103   1HG   LYS  16          1HG       LYS  16  14.489   5.855  -2.912
  104   2HG   LYS  16          2HG       LYS  16  13.182   4.743  -2.555
  105   1HD   LYS  16          1HD       LYS  16  15.128   3.374  -2.888
  106   2HD   LYS  16          2HD       LYS  16  14.153   3.172  -4.330
  107   1HE   LYS  16          1HE       LYS  16  15.796   5.428  -4.866
  108   2HE   LYS  16          2HE       LYS  16  16.851   4.278  -4.070
  109   1HZ   LYS  16          1HZ       LYS  16  15.100   3.215  -6.101
  110   2HZ   LYS  16          2HZ       LYS  16  16.316   4.172  -6.624
  111   3HZ   LYS  16          3HZ       LYS  16  16.649   2.830  -5.755
  112    H    ASP  17           H        ASP  17  10.333   3.364  -3.087
  113    HA   ASP  17           HA       ASP  17  11.386   1.086  -4.572
  114   1HB   ASP  17          1HB       ASP  17  11.360   1.691  -1.703
  115   2HB   ASP  17          2HB       ASP  17  10.513   0.190  -2.021
  116    H    ARG  18           H        ARG  18   8.785   2.966  -4.418
  117    HA   ARG  18           HA       ARG  18   6.771   1.161  -3.610
  118   1HB   ARG  18          1HB       ARG  18   6.373   3.607  -5.388
  119   2HB   ARG  18          2HB       ARG  18   5.223   2.902  -4.270
  120   1HG   ARG  18          1HG       ARG  18   7.853   4.240  -3.474
  121   2HG   ARG  18          2HG       ARG  18   6.269   4.981  -3.357
  122   1HD   ARG  18          1HD       ARG  18   5.589   2.989  -1.854
  123   2HD   ARG  18          2HD       ARG  18   7.286   2.553  -1.815
  124    HE   ARG  18           HE       ARG  18   7.610   4.256  -0.262
  125   1HH1  ARG  18          1HH1      ARG  18   4.805   5.067  -2.226
  126   2HH1  ARG  18          2HH1      ARG  18   4.449   6.517  -1.348
  127   1HH2  ARG  18          1HH2      ARG  18   7.142   6.169   0.897
  128   2HH2  ARG  18          2HH2      ARG  18   5.788   7.148   0.441
  129    H    VAL  19           H        VAL  19   6.061  -0.570  -4.817
  130    HA   VAL  19           HA       VAL  19   6.778  -0.709  -7.602
  131    HB   VAL  19           HB       VAL  19   5.305  -2.601  -5.758
  132   1HG1  VAL  19          1HG1      VAL  19   6.218  -2.880  -8.626
  133   2HG1  VAL  19          2HG1      VAL  19   5.980  -4.293  -7.570
  134   3HG1  VAL  19          3HG1      VAL  19   4.615  -3.208  -7.926
  135   1HG2  VAL  19          1HG2      VAL  19   8.197  -2.260  -6.518
  136   2HG2  VAL  19          2HG2      VAL  19   7.469  -2.537  -4.918
  137   3HG2  VAL  19          3HG2      VAL  19   7.568  -3.870  -6.093
  138    H    ASP  20           H        ASP  20   4.260   0.676  -5.791
  139    HA   ASP  20           HA       ASP  20   2.317   1.489  -6.298
  140   1HB   ASP  20          1HB       ASP  20   3.230   2.589  -8.208
  141   2HB   ASP  20          2HB       ASP  20   3.432   1.088  -9.089
  142    H    CYS  21           H        CYS  21   0.466   0.293  -5.831
  143    HA   CYS  21           HA       CYS  21   0.227  -2.353  -6.928
  144   1HB   CYS  21          1HB       CYS  21  -0.391  -1.323  -4.513
  145   2HB   CYS  21          2HB       CYS  21  -1.957  -1.190  -5.290
  146    H    GLY  22           H        GLY  22  -0.892   0.926  -7.511
  147   1HA   GLY  22          1HA       GLY  22  -2.180   0.197  -9.935
  148   2HA   GLY  22          2HA       GLY  22  -2.127   1.783  -9.190
  149    H    TYR  23           H        TYR  23  -3.793   2.453  -7.720
  150    HA   TYR  23           HA       TYR  23  -6.212   0.825  -7.972
  151   1HB   TYR  23          1HB       TYR  23  -4.660   1.784  -5.542
  152   2HB   TYR  23          2HB       TYR  23  -6.407   1.865  -5.428
  153    HD1  TYR  23           HD1      TYR  23  -7.675  -0.376  -6.124
  154    HD2  TYR  23           HD2      TYR  23  -3.590  -0.170  -4.869
  155    HE1  TYR  23           HE1      TYR  23  -7.742  -2.834  -5.479
  156    HE2  TYR  23           HE2      TYR  23  -3.671  -2.628  -4.228
  157    HH   TYR  23           HH       TYR  23  -4.980  -4.621  -4.903
  158    HA   PRO  24           HA       PRO  24  -7.968   4.704  -8.748
  159   1HB   PRO  24          1HB       PRO  24 -10.617   4.153  -8.364
  160   2HB   PRO  24          2HB       PRO  24  -9.759   3.753  -9.838
  161   1HG   PRO  24          1HG       PRO  24 -10.622   1.960  -7.652
  162   2HG   PRO  24          2HG       PRO  24 -10.159   1.548  -9.291
  163   1HD   PRO  24          1HD       PRO  24  -8.571   1.222  -6.925
  164   2HD   PRO  24          2HD       PRO  24  -8.066   0.919  -8.575
  165    H    HIS  25           H        HIS  25 -10.120   3.539  -6.218
  166    HA   HIS  25           HA       HIS  25  -9.729   6.077  -4.897
  167   1HB   HIS  25          1HB       HIS  25 -11.628   5.472  -3.561
  168   2HB   HIS  25          2HB       HIS  25 -11.993   5.154  -5.245
  169    HD1  HIS  25           HD1      HIS  25 -13.729   3.699  -3.305
  170    HD2  HIS  25           HD2      HIS  25 -10.042   2.148  -4.568
  171    HE1  HIS  25           HE1      HIS  25 -13.838   1.181  -2.907
  172    HE2  HIS  25           HE2      HIS  25 -11.566   0.276  -3.753
  173    H    VAL  26           H        VAL  26  -7.503   5.822  -4.231
  174    HA   VAL  26           HA       VAL  26  -7.007   3.658  -2.346
  175    HB   VAL  26           HB       VAL  26  -4.669   4.491  -2.484
  176   1HG1  VAL  26          1HG1      VAL  26  -6.017   3.802  -5.117
  177   2HG1  VAL  26          2HG1      VAL  26  -4.268   3.702  -4.800
  178   3HG1  VAL  26          3HG1      VAL  26  -5.396   2.656  -3.905
  179   1HG2  VAL  26          1HG2      VAL  26  -5.876   6.790  -3.571
  180   2HG2  VAL  26          2HG2      VAL  26  -4.137   6.458  -3.392
  181   3HG2  VAL  26          3HG2      VAL  26  -4.972   6.042  -4.909
  182    H    THR  27           H        THR  27  -6.712   3.966  -0.150
  183    HA   THR  27           HA       THR  27  -6.450   6.650   0.883
  184    HB   THR  27           HB       THR  27  -8.566   6.782   1.928
  185    HG1  THR  27           HG1      THR  27  -9.777   4.713   2.203
  186   1HG2  THR  27          1HG2      THR  27  -9.067   5.055  -0.554
  187   2HG2  THR  27          2HG2      THR  27 -10.334   5.926   0.343
  188   3HG2  THR  27          3HG2      THR  27  -9.057   6.834  -0.502
  189    HA   PRO  28           HA       PRO  28  -4.504   4.579   4.101
  190   1HB   PRO  28          1HB       PRO  28  -5.126   6.004   6.349
  191   2HB   PRO  28          2HB       PRO  28  -3.927   6.528   5.183
  192   1HG   PRO  28          1HG       PRO  28  -6.668   7.549   5.609
  193   2HG   PRO  28          2HG       PRO  28  -5.331   8.311   4.771
  194   1HD   PRO  28          1HD       PRO  28  -7.596   7.022   3.573
  195   2HD   PRO  28          2HD       PRO  28  -6.203   7.681   2.739
  196    H    LYS  29           H        LYS  29  -6.898   3.326   3.310
  197    HA   LYS  29           HA       LYS  29  -7.152   1.529   5.413
  198   1HB   LYS  29          1HB       LYS  29  -8.360   3.682   6.310
  199   2HB   LYS  29          2HB       LYS  29  -9.661   3.176   5.252
  200   1HG   LYS  29          1HG       LYS  29  -8.365   1.294   7.272
  201   2HG   LYS  29          2HG       LYS  29  -9.751   2.290   7.667
  202   1HD   LYS  29          1HD       LYS  29 -10.707   1.186   5.386
  203   2HD   LYS  29          2HD       LYS  29  -9.576  -0.080   5.820
  204   1HE   LYS  29          1HE       LYS  29 -10.902  -0.818   7.520
  205   2HE   LYS  29          2HE       LYS  29 -11.103   0.799   8.167
  206   1HZ   LYS  29          1HZ       LYS  29 -12.721   1.159   6.338
  207   2HZ   LYS  29          2HZ       LYS  29 -12.639  -0.435   5.995
  208   3HZ   LYS  29          3HZ       LYS  29 -13.191   0.060   7.450
  209    H    GLU  30           H        GLU  30  -8.687   3.182   2.614
  210    HA   GLU  30           HA       GLU  30 -10.070   0.813   1.870
  211   1HB   GLU  30          1HB       GLU  30 -11.009   3.031   1.367
  212   2HB   GLU  30          2HB       GLU  30  -9.604   3.447   0.406
  213   1HG   GLU  30          1HG       GLU  30 -10.364   2.299  -1.416
  214   2HG   GLU  30          2HG       GLU  30 -10.810   0.900  -0.460
  215    H    CYS  31           H        CYS  31  -7.032   2.494   0.992
  216    HA   CYS  31           HA       CYS  31  -6.535   0.839  -1.259
  217   1HB   CYS  31          1HB       CYS  31  -5.472   2.852  -1.464
  218   2HB   CYS  31          2HB       CYS  31  -5.060   2.950   0.237
  219    H    ASN  32           H        ASN  32  -5.995   0.740   2.245
  220    HA   ASN  32           HA       ASN  32  -4.133  -1.440   1.957
  221   1HB   ASN  32          1HB       ASN  32  -3.698  -1.163   4.298
  222   2HB   ASN  32          2HB       ASN  32  -3.949   0.471   3.715
  223   2HD2  ASN  32          2HD2      ASN  32  -4.356   0.811   6.027
  224   1HD2  ASN  32          1HD2      ASN  32  -5.960   0.605   6.646
  225    H    ASN  33           H        ASN  33  -7.398  -1.097   1.686
  226    HA   ASN  33           HA       ASN  33  -8.033  -3.390   3.350
  227   1HB   ASN  33          1HB       ASN  33  -9.597  -1.602   3.730
  228   2HB   ASN  33          2HB       ASN  33  -9.698  -1.210   2.025
  229   2HD2  ASN  33          2HD2      ASN  33 -11.077  -2.857   4.596
  230   1HD2  ASN  33          1HD2      ASN  33 -12.226  -3.842   3.753
  231    H    ARG  34           H        ARG  34  -8.199  -2.009   0.012
  232    HA   ARG  34           HA       ARG  34  -9.565  -4.035  -1.196
  233   1HB   ARG  34          1HB       ARG  34  -8.474  -1.685  -2.034
  234   2HB   ARG  34          2HB       ARG  34  -7.280  -2.779  -2.705
  235   1HG   ARG  34          1HG       ARG  34 -10.290  -3.019  -3.174
  236   2HG   ARG  34          2HG       ARG  34  -9.174  -2.260  -4.292
  237   1HD   ARG  34          1HD       ARG  34  -7.864  -4.582  -4.088
  238   2HD   ARG  34          2HD       ARG  34  -9.420  -5.185  -3.555
  239    HE   ARG  34           HE       ARG  34  -8.719  -4.323  -6.261
  240   1HH1  ARG  34          1HH1      ARG  34 -11.373  -4.805  -4.001
  241   2HH1  ARG  34          2HH1      ARG  34 -12.568  -4.980  -5.243
  242   1HH2  ARG  34          1HH2      ARG  34 -10.295  -4.554  -7.900
  243   2HH2  ARG  34          2HH2      ARG  34 -11.950  -4.836  -7.475
  244    H    GLY  35           H        GLY  35  -6.191  -3.836  -0.107
  245   1HA   GLY  35          1HA       GLY  35  -5.670  -6.494  -1.301
  246   2HA   GLY  35          2HA       GLY  35  -5.254  -6.087   0.352
  247    H    CYS  36           H        CYS  36  -3.752  -4.145   0.677
  248    HA   CYS  36           HA       CYS  36  -1.396  -4.528  -0.603
  249   1HB   CYS  36          1HB       CYS  36  -3.131  -3.206  -2.382
  250   2HB   CYS  36          2HB       CYS  36  -2.031  -1.974  -1.795
  251    H    CYS  37           H        CYS  37  -0.481  -1.726  -0.679
  252    HA   CYS  37           HA       CYS  37  -1.028  -0.991   2.106
  253   1HB   CYS  37          1HB       CYS  37   1.536  -1.260   0.619
  254   2HB   CYS  37          2HB       CYS  37   1.398   0.078   1.742
  255    H    PHE  38           H        PHE  38  -0.998   1.363   2.521
  256    HA   PHE  38           HA       PHE  38  -1.446   2.898   0.058
  257   1HB   PHE  38          1HB       PHE  38  -3.510   2.568   1.388
  258   2HB   PHE  38          2HB       PHE  38  -2.670   2.961   2.875
  259    HD1  PHE  38           HD1      PHE  38  -3.948   4.385  -0.286
  260    HD2  PHE  38           HD2      PHE  38  -2.446   5.210   3.596
  261    HE1  PHE  38           HE1      PHE  38  -4.645   6.784  -0.527
  262    HE2  PHE  38           HE2      PHE  38  -3.143   7.609   3.356
  263    HZ   PHE  38           HZ       PHE  38  -4.234   8.368   1.297
  264    H    ASP  39           H        ASP  39  -1.252   5.405   0.602
  265    HA   ASP  39           HA       ASP  39   0.387   6.201   2.666
  266   1HB   ASP  39          1HB       ASP  39   2.159   4.905   1.543
  267   2HB   ASP  39          2HB       ASP  39   1.817   5.695   0.017
  268    H    SER  40           H        SER  40   0.639   8.550   2.566
  269    HA   SER  40           HA       SER  40  -0.221   9.781   0.089
  270   1HB   SER  40          1HB       SER  40  -1.776  11.286   1.295
  271   2HB   SER  40          2HB       SER  40  -2.263   9.610   1.449
  272    HG   SER  40           HG       SER  40  -2.400  10.479   3.515
  273    H    ARG  41           H        ARG  41   2.281   9.381   1.931
  274    HA   ARG  41           HA       ARG  41   2.852  11.824   3.087
  275   1HB   ARG  41          1HB       ARG  41   4.056   9.387   3.085
  276   2HB   ARG  41          2HB       ARG  41   5.092  10.182   1.916
  277   1HG   ARG  41          1HG       ARG  41   4.520  11.821   4.332
  278   2HG   ARG  41          2HG       ARG  41   5.389  10.337   4.670
  279   1HD   ARG  41          1HD       ARG  41   6.954  11.028   2.685
  280   2HD   ARG  41          2HD       ARG  41   6.224  12.614   2.830
  281    HE   ARG  41           HE       ARG  41   7.059  11.712   5.432
  282   1HH1  ARG  41          1HH1      ARG  41   8.379  12.895   2.392
  283   2HH1  ARG  41          2HH1      ARG  41   9.806  13.554   3.120
  284   1HH2  ARG  41          1HH2      ARG  41   8.941  12.582   6.393
  285   2HH2  ARG  41          2HH2      ARG  41  10.127  13.375   5.412
  286    H    ILE  42           H        ILE  42   3.181  10.566  -0.239
  287    HA   ILE  42           HA       ILE  42   3.633  13.236  -1.194
  288    HB   ILE  42           HB       ILE  42   5.640  12.016  -2.570
  289   1HG1  ILE  42          1HG1      ILE  42   7.131  10.976  -0.883
  290   2HG1  ILE  42          2HG1      ILE  42   5.832  11.030   0.292
  291   1HG2  ILE  42          1HG2      ILE  42   5.358  14.054  -0.504
  292   2HG2  ILE  42          2HG2      ILE  42   6.957  13.272  -0.479
  293   3HG2  ILE  42          3HG2      ILE  42   6.363  14.037  -1.973
  294   1HD1  ILE  42          1HD1      ILE  42   5.310   9.735  -2.389
  295   2HD1  ILE  42          2HD1      ILE  42   6.226   8.842  -1.151
  296   3HD1  ILE  42          3HD1      ILE  42   4.567   9.390  -0.809
  297    HA   PRO  43           HA       PRO  43   1.173  11.320  -4.214
  298   1HB   PRO  43          1HB       PRO  43   0.783  13.489  -5.831
  299   2HB   PRO  43          2HB       PRO  43  -0.173  13.179  -4.395
  300   1HG   PRO  43          1HG       PRO  43   1.979  15.166  -4.796
  301   2HG   PRO  43          2HG       PRO  43   0.746  15.119  -3.552
  302   1HD   PRO  43          1HD       PRO  43   3.506  14.396  -3.260
  303   2HD   PRO  43          2HD       PRO  43   2.248  14.240  -2.050
  304    H    GLY  44           H        GLY  44   4.042  13.108  -5.031
  305   1HA   GLY  44          1HA       GLY  44   5.688  12.568  -6.479
  306   2HA   GLY  44          2HA       GLY  44   4.392  12.551  -7.658
  307    H    VAL  45           H        VAL  45   4.437  10.255  -4.933
  308    HA   VAL  45           HA       VAL  45   5.332   8.161  -6.782
  309    HB   VAL  45           HB       VAL  45   6.325   7.115  -5.046
  310   1HG1  VAL  45          1HG1      VAL  45   6.179  10.007  -4.160
  311   2HG1  VAL  45          2HG1      VAL  45   7.207   8.799  -3.353
  312   3HG1  VAL  45          3HG1      VAL  45   7.475   9.192  -5.068
  313   1HG2  VAL  45          1HG2      VAL  45   4.005   8.110  -3.430
  314   2HG2  VAL  45          2HG2      VAL  45   4.637   6.458  -3.627
  315   3HG2  VAL  45          3HG2      VAL  45   5.492   7.620  -2.584
  316    HA   PRO  46           HA       PRO  46   1.488   6.194  -6.501
  317   1HB   PRO  46          1HB       PRO  46   2.034   3.539  -6.152
  318   2HB   PRO  46          2HB       PRO  46   2.174   4.351  -7.698
  319   1HG   PRO  46          1HG       PRO  46   4.320   3.484  -5.859
  320   2HG   PRO  46          2HG       PRO  46   4.431   3.897  -7.559
  321   1HD   PRO  46          1HD       PRO  46   5.233   5.528  -5.340
  322   2HD   PRO  46          2HD       PRO  46   5.236   5.985  -7.031
  323    H    TRP  47           H        TRP  47   0.611   7.296  -4.719
  324    HA   TRP  47           HA       TRP  47   0.985   6.956  -2.150
  325   1HB   TRP  47          1HB       TRP  47  -1.513   7.229  -3.746
  326   2HB   TRP  47          2HB       TRP  47  -1.679   6.866  -2.039
  327    HD1  TRP  47           HD1      TRP  47   1.188   9.168  -3.187
  328    HE1  TRP  47           HE1      TRP  47   0.840  11.636  -2.321
  329    HE3  TRP  47           HE3      TRP  47  -3.507   8.432  -1.379
  330    HZ2  TRP  47           HZ2      TRP  47  -1.311  12.974  -1.007
  331    HZ3  TRP  47           HZ3      TRP  47  -4.661  10.371  -0.320
  332    HH2  TRP  47           HH2      TRP  47  -3.639  12.582  -0.119
  333    H    CYS  48           H        CYS  48  -1.050   4.668  -4.122
  334    HA   CYS  48           HA       CYS  48  -0.895   2.762  -1.946
  335   1HB   CYS  48          1HB       CYS  48  -3.011   3.350  -3.305
  336   2HB   CYS  48          2HB       CYS  48  -2.322   2.343  -4.562
  337    H    PHE  49           H        PHE  49   0.907   1.461  -1.905
  338    HA   PHE  49           HA       PHE  49   1.841   0.433  -4.483
  339   1HB   PHE  49          1HB       PHE  49   4.182   0.651  -3.334
  340   2HB   PHE  49          2HB       PHE  49   3.445   2.147  -3.871
  341    HD1  PHE  49           HD1      PHE  49   3.627  -0.022  -0.839
  342    HD2  PHE  49           HD2      PHE  49   3.327   3.916  -2.390
  343    HE1  PHE  49           HE1      PHE  49   3.819   0.907   1.485
  344    HE2  PHE  49           HE2      PHE  49   3.519   4.846  -0.066
  345    HZ   PHE  49           HZ       PHE  49   3.763   3.330   1.844
  346    H    LYS  50           H        LYS  50   3.266  -1.561  -4.188
  347    HA   LYS  50           HA       LYS  50   1.902  -3.404  -2.569
  348   1HB   LYS  50          1HB       LYS  50   4.598  -3.706  -3.923
  349   2HB   LYS  50          2HB       LYS  50   3.551  -5.000  -3.375
  350   1HG   LYS  50          1HG       LYS  50   1.741  -3.854  -4.931
  351   2HG   LYS  50          2HG       LYS  50   3.121  -3.074  -5.678
  352   1HD   LYS  50          1HD       LYS  50   2.902  -5.023  -6.978
  353   2HD   LYS  50          2HD       LYS  50   4.138  -5.492  -5.828
  354   1HE   LYS  50          1HE       LYS  50   2.669  -6.863  -4.589
  355   2HE   LYS  50          2HE       LYS  50   1.241  -5.994  -5.117
  356   1HZ   LYS  50          1HZ       LYS  50   2.902  -7.635  -6.900
  357   2HZ   LYS  50          2HZ       LYS  50   1.532  -8.159  -6.182
  358   3HZ   LYS  50          3HZ       LYS  50   1.470  -6.941  -7.268
  359    HA   PRO  51           HA       PRO  51   4.094  -3.216   1.142
  360   1HB   PRO  51          1HB       PRO  51   4.134  -5.810   2.000
  361   2HB   PRO  51          2HB       PRO  51   2.730  -4.774   2.150
  362   1HG   PRO  51          1HG       PRO  51   3.208  -6.983   0.244
  363   2HG   PRO  51          2HG       PRO  51   1.691  -6.230   0.693
  364   1HD   PRO  51          1HD       PRO  51   3.166  -5.805  -1.730
  365   2HD   PRO  51          2HD       PRO  51   1.711  -4.968  -1.228
  366    H    LEU  52           H        LEU  52   6.127  -2.661   1.570
  367    HA   LEU  52           HA       LEU  52   8.216  -3.245   0.032
  368   1HB   LEU  52          1HB       LEU  52   8.508  -1.668   1.709
  369   2HB   LEU  52          2HB       LEU  52   7.996  -2.761   2.980
  370    HG   LEU  52           HG       LEU  52  10.570  -3.130   1.432
  371   1HD1  LEU  52          1HD1      LEU  52  10.104  -0.952   2.989
  372   2HD1  LEU  52          2HD1      LEU  52  10.736  -2.101   4.193
  373   3HD1  LEU  52          3HD1      LEU  52  11.700  -1.703   2.751
  374   1HD2  LEU  52          1HD2      LEU  52   9.163  -4.744   3.318
  375   2HD2  LEU  52          2HD2      LEU  52  10.729  -5.048   2.528
  376   3HD2  LEU  52          3HD2      LEU  52  10.668  -4.172   4.076
  377    H    GLN  53           H        GLN  53   9.697  -4.886  -0.342
  378    HA   GLN  53           HA       GLN  53   8.821  -7.461   0.118
  379   1HB   GLN  53          1HB       GLN  53  11.228  -8.059  -0.609
  380   2HB   GLN  53          2HB       GLN  53  10.258  -7.133  -1.736
  381   1HG   GLN  53          1HG       GLN  53  11.834  -5.510   0.219
  382   2HG   GLN  53          2HG       GLN  53  12.788  -6.418  -0.937
  383   2HE2  GLN  53          2HE2      GLN  53  11.441  -3.533  -0.376
  384   1HE2  GLN  53          1HE2      GLN  53  11.151  -2.949  -1.981
  385    H    GLU  54           H        GLU  54   8.364  -7.539   2.442
  386    HA   GLU  54           HA       GLU  54  10.212  -7.009   4.384
  387   1HB   GLU  54          1HB       GLU  54   8.823  -8.573   5.805
  388   2HB   GLU  54          2HB       GLU  54   7.893  -7.356   4.955
  389   1HG   GLU  54          1HG       GLU  54   8.230  -9.764   3.308
  390   2HG   GLU  54          2HG       GLU  54   7.508 -10.156   4.856
  391    H    ALA  55           H        ALA  55  12.316  -7.763   4.141
  392    HA   ALA  55           HA       ALA  55  12.587 -10.685   3.935
  393   1HB   ALA  55          1HB       ALA  55  14.825 -10.147   2.890
  394   2HB   ALA  55          2HB       ALA  55  13.419  -9.657   1.916
  395   3HB   ALA  55          3HB       ALA  55  14.326  -8.440   2.845
  396    H    GLU  56           H        GLU  56  15.274 -10.911   4.634
  397    HA   GLU  56           HA       GLU  56  15.269 -11.139   7.257
  398   1HB   GLU  56          1HB       GLU  56  17.530 -10.399   5.379
  399   2HB   GLU  56          2HB       GLU  56  17.843 -10.629   7.088
  400   1HG   GLU  56          1HG       GLU  56  18.115 -12.827   6.481
  401   2HG   GLU  56          2HG       GLU  56  16.368 -12.875   6.610
  402    H    CYS  57           H        CYS  57  15.175  -9.856   9.064
  403    HA   CYS  57           HA       CYS  57  14.705  -7.144   8.837
  404   1HB   CYS  57          1HB       CYS  57  15.746  -8.493  11.326
  405   2HB   CYS  57          2HB       CYS  57  14.732  -7.068  11.212
  406    H    THR  58           H        THR  58  16.076  -5.319   9.658
  407    HA   THR  58           HA       THR  58  18.926  -5.865   9.817
  408    HB   THR  58           HB       THR  58  17.578  -4.224   7.616
  409    HG1  THR  58           HG1      THR  58  19.656  -6.292   7.705
  410   1HG2  THR  58          1HG2      THR  58  20.009  -3.567   8.931
  411   2HG2  THR  58          2HG2      THR  58  20.497  -4.476   7.480
  412   3HG2  THR  58          3HG2      THR  58  19.496  -3.013   7.319
  413    H    PHE  59           H        PHE  59  16.456  -3.218   9.554
  414    HA   PHE  59           HA       PHE  59  17.924  -1.855  11.682
  415   1HB   PHE  59          1HB       PHE  59  17.491  -0.510   9.686
  416   2HB   PHE  59          2HB       PHE  59  15.856  -1.123   9.544
  417    HD1  PHE  59           HD1      PHE  59  17.818   0.549  12.258
  418    HD2  PHE  59           HD2      PHE  59  14.271   0.490   9.930
  419    HE1  PHE  59           HE1      PHE  59  16.961   2.546  13.514
  420    HE2  PHE  59           HE2      PHE  59  13.413   2.487  11.186
  421    HZ   PHE  59           HZ       PHE  59  14.769   3.491  12.963

  No H/Q in entry =         421
  Start of MODEL    4
    1    H    GLU   1           H        GLU   1   8.850 -14.498   8.149
    2    HA   GLU   1           HA       GLU   1   7.417 -16.530   9.101
    3   1HB   GLU   1          1HB       GLU   1  10.097 -15.907   8.970
    4   2HB   GLU   1          2HB       GLU   1   9.864 -15.977  10.705
    5   1HG   GLU   1          1HG       GLU   1   9.951 -18.237  10.586
    6   2HG   GLU   1          2HG       GLU   1   8.447 -18.218   9.687
    7    H    GLU   2           H        GLU   2   5.785 -14.556  10.014
    8    HA   GLU   2           HA       GLU   2   5.410 -15.261  12.653
    9   1HB   GLU   2          1HB       GLU   2   7.464 -13.463  12.582
   10   2HB   GLU   2          2HB       GLU   2   6.111 -12.355  12.688
   11   1HG   GLU   2          1HG       GLU   2   5.408 -13.190  14.785
   12   2HG   GLU   2          2HG       GLU   2   6.189 -14.741  14.547
   13    H    TYR   3           H        TYR   3   5.075 -12.609  10.219
   14    HA   TYR   3           HA       TYR   3   3.323 -11.421   9.550
   15   1HB   TYR   3          1HB       TYR   3   2.732 -13.935   9.075
   16   2HB   TYR   3          2HB       TYR   3   1.745 -13.879  10.522
   17    HD1  TYR   3           HD1      TYR   3  -0.273 -12.386  10.598
   18    HD2  TYR   3           HD2      TYR   3   1.967 -12.997   7.004
   19    HE1  TYR   3           HE1      TYR   3  -2.221 -11.502   9.224
   20    HE2  TYR   3           HE2      TYR   3   0.012 -12.111   5.643
   21    HH   TYR   3           HH       TYR   3  -2.927 -10.940   7.260
   22    H    VAL   4           H        VAL   4   3.188  -9.698  10.998
   23    HA   VAL   4           HA       VAL   4   0.899  -9.674  12.666
   24    HB   VAL   4           HB       VAL   4   2.321 -10.945  14.147
   25   1HG1  VAL   4          1HG1      VAL   4   4.341  -8.855  13.435
   26   2HG1  VAL   4          2HG1      VAL   4   4.387  -9.549  15.073
   27   3HG1  VAL   4          3HG1      VAL   4   4.536 -10.611  13.652
   28   1HG2  VAL   4          1HG2      VAL   4   0.807  -9.050  14.983
   29   2HG2  VAL   4          2HG2      VAL   4   2.053  -9.655  16.101
   30   3HG2  VAL   4          3HG2      VAL   4   2.306  -8.123  15.232
   31    H    GLY   5           H        GLY   5   1.381  -8.163  10.495
   32   1HA   GLY   5          1HA       GLY   5   1.546  -6.047   9.761
   33   2HA   GLY   5          2HA       GLY   5   2.939  -5.867  10.809
   34    H    LEU   6           H        LEU   6   2.794  -4.564  12.614
   35    HA   LEU   6           HA       LEU   6   0.080  -3.783  13.422
   36   1HB   LEU   6          1HB       LEU   6   1.046  -3.283  15.608
   37   2HB   LEU   6          2HB       LEU   6   1.205  -4.971  15.164
   38    HG   LEU   6           HG       LEU   6   3.605  -4.127  14.323
   39   1HD1  LEU   6          1HD1      LEU   6   2.631  -1.819  15.559
   40   2HD1  LEU   6          2HD1      LEU   6   3.771  -2.523  16.731
   41   3HD1  LEU   6          3HD1      LEU   6   4.309  -2.159  15.074
   42   1HD2  LEU   6          1HD2      LEU   6   2.741  -4.958  17.093
   43   2HD2  LEU   6          2HD2      LEU   6   3.446  -5.951  15.795
   44   3HD2  LEU   6          3HD2      LEU   6   4.453  -4.756  16.647
   45    H    SER   7           H        SER   7   3.258  -2.755  12.259
   46    HA   SER   7           HA       SER   7   2.331   0.000  12.467
   47   1HB   SER   7          1HB       SER   7   4.634   0.699  12.439
   48   2HB   SER   7          2HB       SER   7   4.516  -0.610  13.599
   49    HG   SER   7           HG       SER   7   5.969  -0.468  11.236
   50    H    ALA   8           H        ALA   8   4.392   0.904  10.496
   51    HA   ALA   8           HA       ALA   8   2.963   0.046   8.094
   52   1HB   ALA   8          1HB       ALA   8   4.899   2.296   7.986
   53   2HB   ALA   8          2HB       ALA   8   3.503   2.542   9.063
   54   3HB   ALA   8          3HB       ALA   8   3.244   2.177   7.341
   55    H    ASN   9           H        ASN   9   4.988  -1.645   9.475
   56    HA   ASN   9           HA       ASN   9   7.470  -1.457   8.407
   57   1HB   ASN   9          1HB       ASN   9   5.909  -3.423   9.806
   58   2HB   ASN   9          2HB       ASN   9   6.625  -4.252   8.438
   59   2HD2  ASN   9          2HD2      ASN   9   8.854  -4.384   8.215
   60   1HD2  ASN   9          1HD2      ASN   9   9.952  -4.106   9.525
   61    H    GLN  10           H        GLN  10   4.628  -3.395   7.184
   62    HA   GLN  10           HA       GLN  10   5.903  -4.215   4.857
   63   1HB   GLN  10          1HB       GLN  10   3.488  -4.676   4.091
   64   2HB   GLN  10          2HB       GLN  10   4.015  -5.474   5.559
   65   1HG   GLN  10          1HG       GLN  10   2.898  -2.816   6.134
   66   2HG   GLN  10          2HG       GLN  10   1.750  -3.814   5.265
   67   2HE2  GLN  10          2HE2      GLN  10   2.882  -2.977   8.234
   68   1HE2  GLN  10          1HE2      GLN  10   2.377  -4.335   9.184
   69    H    CYS  11           H        CYS  11   4.212  -1.240   5.761
   70    HA   CYS  11           HA       CYS  11   4.440  -0.351   2.979
   71   1HB   CYS  11          1HB       CYS  11   2.752   1.183   4.872
   72   2HB   CYS  11          2HB       CYS  11   2.539   0.872   3.160
   73    H    ALA  12           H        ALA  12   6.782  -0.421   4.454
   74    HA   ALA  12           HA       ALA  12   7.099   2.371   5.324
   75   1HB   ALA  12          1HB       ALA  12   9.181   1.173   6.503
   76   2HB   ALA  12          2HB       ALA  12   7.573   1.216   7.263
   77   3HB   ALA  12          3HB       ALA  12   8.108  -0.242   6.394
   78    H    VAL  13           H        VAL  13   7.140   2.052   2.643
   79    HA   VAL  13           HA       VAL  13   9.880   1.481   1.854
   80    HB   VAL  13           HB       VAL  13   7.935   2.458  -0.130
   81   1HG1  VAL  13          1HG1      VAL  13  10.185   0.586   0.084
   82   2HG1  VAL  13          2HG1      VAL  13   8.836  -0.040  -0.894
   83   3HG1  VAL  13          3HG1      VAL  13   9.594   1.515  -1.314
   84   1HG2  VAL  13          1HG2      VAL  13   7.358   0.064   1.601
   85   2HG2  VAL  13          2HG2      VAL  13   6.250   1.316   0.989
   86   3HG2  VAL  13          3HG2      VAL  13   6.877   0.067  -0.113
   87    HA   PRO  14           HA       PRO  14  10.966   5.662   1.736
   88   1HB   PRO  14          1HB       PRO  14  13.021   5.633  -0.065
   89   2HB   PRO  14          2HB       PRO  14  13.208   5.152   1.610
   90   1HG   PRO  14          1HG       PRO  14  13.072   3.450  -0.803
   91   2HG   PRO  14          2HG       PRO  14  13.672   3.046   0.793
   92   1HD   PRO  14          1HD       PRO  14  11.151   2.275  -0.339
   93   2HD   PRO  14          2HD       PRO  14  11.703   1.970   1.296
   94    H    ALA  15           H        ALA  15   9.264   4.241  -0.618
   95    HA   ALA  15           HA       ALA  15   7.816   5.265  -2.012
   96   1HB   ALA  15          1HB       ALA  15   9.355   7.811  -2.256
   97   2HB   ALA  15          2HB       ALA  15   7.603   7.544  -2.096
   98   3HB   ALA  15          3HB       ALA  15   8.651   7.454  -0.660
   99    H    LYS  16           H        LYS  16  11.338   5.385  -2.275
  100    HA   LYS  16           HA       LYS  16  11.211   5.504  -5.168
  101   1HB   LYS  16          1HB       LYS  16  13.630   5.618  -5.060
  102   2HB   LYS  16          2HB       LYS  16  12.923   6.791  -3.968
  103   1HG   LYS  16          1HG       LYS  16  14.490   5.860  -2.533
  104   2HG   LYS  16          2HG       LYS  16  13.143   4.791  -2.195
  105   1HD   LYS  16          1HD       LYS  16  14.349   3.014  -2.913
  106   2HD   LYS  16          2HD       LYS  16  14.493   3.736  -4.503
  107   1HE   LYS  16          1HE       LYS  16  16.728   3.882  -4.087
  108   2HE   LYS  16          2HE       LYS  16  16.338   5.212  -3.015
  109   1HZ   LYS  16          1HZ       LYS  16  15.998   3.480  -1.274
  110   2HZ   LYS  16          2HZ       LYS  16  16.663   2.391  -2.292
  111   3HZ   LYS  16          3HZ       LYS  16  17.542   3.666  -1.774
  112    H    ASP  17           H        ASP  17  10.285   3.211  -3.139
  113    HA   ASP  17           HA       ASP  17  11.474   1.139  -4.798
  114   1HB   ASP  17          1HB       ASP  17  11.830   1.494  -1.975
  115   2HB   ASP  17          2HB       ASP  17  10.760   0.120  -2.168
  116    H    ARG  18           H        ARG  18   8.838   2.780  -4.599
  117    HA   ARG  18           HA       ARG  18   6.922   0.948  -3.639
  118   1HB   ARG  18          1HB       ARG  18   6.392   3.267  -5.549
  119   2HB   ARG  18          2HB       ARG  18   5.286   2.579  -4.376
  120   1HG   ARG  18          1HG       ARG  18   7.908   3.756  -3.418
  121   2HG   ARG  18          2HG       ARG  18   6.591   4.834  -3.834
  122   1HD   ARG  18          1HD       ARG  18   5.302   2.912  -2.274
  123   2HD   ARG  18          2HD       ARG  18   6.872   3.019  -1.504
  124    HE   ARG  18           HE       ARG  18   5.563   5.602  -2.117
  125   1HH1  ARG  18          1HH1      ARG  18   6.240   3.120   0.284
  126   2HH1  ARG  18          2HH1      ARG  18   5.897   4.152   1.633
  127   1HH2  ARG  18          1HH2      ARG  18   5.111   6.963  -0.338
  128   2HH2  ARG  18          2HH2      ARG  18   5.251   6.352   1.277
  129    H    VAL  19           H        VAL  19   5.643  -0.538  -4.812
  130    HA   VAL  19           HA       VAL  19   6.556  -1.027  -7.538
  131    HB   VAL  19           HB       VAL  19   4.799  -2.740  -5.779
  132   1HG1  VAL  19          1HG1      VAL  19   6.015  -3.012  -8.457
  133   2HG1  VAL  19          2HG1      VAL  19   6.237  -4.418  -7.388
  134   3HG1  VAL  19          3HG1      VAL  19   4.598  -3.824  -7.748
  135   1HG2  VAL  19          1HG2      VAL  19   7.614  -2.121  -5.487
  136   2HG2  VAL  19          2HG2      VAL  19   6.557  -3.114  -4.456
  137   3HG2  VAL  19          3HG2      VAL  19   7.383  -3.848  -5.852
  138    H    ASP  20           H        ASP  20   4.213   0.770  -5.960
  139    HA   ASP  20           HA       ASP  20   2.276   1.593  -6.494
  140   1HB   ASP  20          1HB       ASP  20   3.306   2.592  -8.396
  141   2HB   ASP  20          2HB       ASP  20   3.472   1.058  -9.228
  142    H    CYS  21           H        CYS  21   0.616   0.215  -5.760
  143    HA   CYS  21           HA       CYS  21   0.175  -2.317  -6.950
  144   1HB   CYS  21          1HB       CYS  21  -0.393  -1.233  -4.531
  145   2HB   CYS  21          2HB       CYS  21  -1.963  -1.107  -5.299
  146    H    GLY  22           H        GLY  22  -0.822   0.994  -7.540
  147   1HA   GLY  22          1HA       GLY  22  -2.136   0.340  -9.953
  148   2HA   GLY  22          2HA       GLY  22  -2.086   1.904  -9.164
  149    H    TYR  23           H        TYR  23  -3.781   2.562  -7.746
  150    HA   TYR  23           HA       TYR  23  -6.185   0.920  -8.022
  151   1HB   TYR  23          1HB       TYR  23  -4.658   1.864  -5.571
  152   2HB   TYR  23          2HB       TYR  23  -6.406   1.945  -5.472
  153    HD1  TYR  23           HD1      TYR  23  -7.659  -0.298  -6.222
  154    HD2  TYR  23           HD2      TYR  23  -3.604  -0.087  -4.876
  155    HE1  TYR  23           HE1      TYR  23  -7.732  -2.761  -5.594
  156    HE2  TYR  23           HE2      TYR  23  -3.690  -2.550  -4.252
  157    HH   TYR  23           HH       TYR  23  -5.744  -4.625  -5.392
  158    HA   PRO  24           HA       PRO  24  -7.957   4.795  -8.782
  159   1HB   PRO  24          1HB       PRO  24 -10.605   4.231  -8.413
  160   2HB   PRO  24          2HB       PRO  24  -9.739   3.842  -9.885
  161   1HG   PRO  24          1HG       PRO  24 -10.605   2.035  -7.711
  162   2HG   PRO  24          2HG       PRO  24 -10.133   1.633  -9.350
  163   1HD   PRO  24          1HD       PRO  24  -8.554   1.302  -6.979
  164   2HD   PRO  24          2HD       PRO  24  -8.041   1.009  -8.629
  165    H    HIS  25           H        HIS  25 -10.141   3.629  -6.285
  166    HA   HIS  25           HA       HIS  25  -9.748   6.154  -4.941
  167   1HB   HIS  25          1HB       HIS  25 -11.668   5.565  -3.642
  168   2HB   HIS  25          2HB       HIS  25 -12.012   5.222  -5.326
  169    HD1  HIS  25           HD1      HIS  25 -13.749   3.803  -3.330
  170    HD2  HIS  25           HD2      HIS  25 -10.091   2.219  -4.638
  171    HE1  HIS  25           HE1      HIS  25 -13.869   1.289  -2.913
  172    HE2  HIS  25           HE2      HIS  25 -11.616   0.363  -3.786
  173    H    VAL  26           H        VAL  26  -7.532   5.889  -4.250
  174    HA   VAL  26           HA       VAL  26  -7.058   3.708  -2.381
  175    HB   VAL  26           HB       VAL  26  -4.721   4.544  -2.479
  176   1HG1  VAL  26          1HG1      VAL  26  -6.048   3.874  -5.126
  177   2HG1  VAL  26          2HG1      VAL  26  -4.297   3.801  -4.816
  178   3HG1  VAL  26          3HG1      VAL  26  -5.404   2.725  -3.929
  179   1HG2  VAL  26          1HG2      VAL  26  -5.885   6.870  -3.498
  180   2HG2  VAL  26          2HG2      VAL  26  -4.147   6.497  -3.406
  181   3HG2  VAL  26          3HG2      VAL  26  -5.058   6.139  -4.894
  182    H    THR  27           H        THR  27  -6.838   3.985  -0.179
  183    HA   THR  27           HA       THR  27  -6.579   6.661   0.890
  184    HB   THR  27           HB       THR  27  -8.710   6.768   1.912
  185    HG1  THR  27           HG1      THR  27  -9.933   4.666   2.066
  186   1HG2  THR  27          1HG2      THR  27  -9.161   5.095  -0.616
  187   2HG2  THR  27          2HG2      THR  27 -10.451   5.931   0.282
  188   3HG2  THR  27          3HG2      THR  27  -9.170   6.873  -0.519
  189    HA   PRO  28           HA       PRO  28  -4.682   4.561   4.119
  190   1HB   PRO  28          1HB       PRO  28  -5.370   5.936   6.379
  191   2HB   PRO  28          2HB       PRO  28  -4.154   6.497   5.248
  192   1HG   PRO  28          1HG       PRO  28  -6.917   7.474   5.635
  193   2HG   PRO  28          2HG       PRO  28  -5.572   8.269   4.839
  194   1HD   PRO  28          1HD       PRO  28  -7.795   6.974   3.570
  195   2HD   PRO  28          2HD       PRO  28  -6.393   7.666   2.778
  196    H    LYS  29           H        LYS  29  -7.045   3.294   3.256
  197    HA   LYS  29           HA       LYS  29  -7.318   1.452   5.315
  198   1HB   LYS  29          1HB       LYS  29  -8.564   3.573   6.236
  199   2HB   LYS  29          2HB       LYS  29  -9.843   3.074   5.147
  200   1HG   LYS  29          1HG       LYS  29  -8.577   1.043   7.012
  201   2HG   LYS  29          2HG       LYS  29  -9.795   2.145   7.624
  202   1HD   LYS  29          1HD       LYS  29 -11.428   1.359   5.966
  203   2HD   LYS  29          2HD       LYS  29 -10.212   0.386   5.163
  204   1HE   LYS  29          1HE       LYS  29 -10.490  -1.332   6.631
  205   2HE   LYS  29          2HE       LYS  29 -10.318  -0.271   8.014
  206   1HZ   LYS  29          1HZ       LYS  29 -12.680   0.438   7.403
  207   2HZ   LYS  29          2HZ       LYS  29 -12.743  -0.955   6.552
  208   3HZ   LYS  29          3HZ       LYS  29 -12.468  -0.993   8.161
  209    H    GLU  30           H        GLU  30  -8.862   3.152   2.544
  210    HA   GLU  30           HA       GLU  30 -10.214   0.803   1.722
  211   1HB   GLU  30          1HB       GLU  30 -11.106   3.047   1.225
  212   2HB   GLU  30          2HB       GLU  30  -9.679   3.440   0.286
  213   1HG   GLU  30          1HG       GLU  30 -10.527   2.423  -1.557
  214   2HG   GLU  30          2HG       GLU  30 -10.794   0.931  -0.676
  215    H    CYS  31           H        CYS  31  -7.164   2.501   0.876
  216    HA   CYS  31           HA       CYS  31  -6.621   0.854  -1.358
  217   1HB   CYS  31          1HB       CYS  31  -5.522   2.846  -1.521
  218   2HB   CYS  31          2HB       CYS  31  -5.172   2.938   0.193
  219    H    ASN  32           H        ASN  32  -6.099   0.734   2.160
  220    HA   ASN  32           HA       ASN  32  -4.277  -1.473   1.878
  221   1HB   ASN  32          1HB       ASN  32  -3.648  -0.979   4.045
  222   2HB   ASN  32          2HB       ASN  32  -4.475   0.537   3.747
  223   2HD2  ASN  32          2HD2      ASN  32  -4.066  -1.487   6.065
  224   1HD2  ASN  32          1HD2      ASN  32  -5.627  -1.605   6.806
  225    H    ASN  33           H        ASN  33  -7.556  -1.059   1.610
  226    HA   ASN  33           HA       ASN  33  -8.239  -3.373   3.215
  227   1HB   ASN  33          1HB       ASN  33  -9.802  -1.587   3.573
  228   2HB   ASN  33          2HB       ASN  33  -9.843  -1.161   1.873
  229   2HD2  ASN  33          2HD2      ASN  33 -11.348  -2.806   4.360
  230   1HD2  ASN  33          1HD2      ASN  33 -12.473  -3.771   3.464
  231    H    ARG  34           H        ARG  34  -8.279  -1.985  -0.120
  232    HA   ARG  34           HA       ARG  34  -9.644  -4.002  -1.365
  233   1HB   ARG  34          1HB       ARG  34  -8.539  -1.647  -2.170
  234   2HB   ARG  34          2HB       ARG  34  -7.332  -2.737  -2.822
  235   1HG   ARG  34          1HG       ARG  34 -10.331  -2.986  -3.348
  236   2HG   ARG  34          2HG       ARG  34  -9.203  -2.206  -4.438
  237   1HD   ARG  34          1HD       ARG  34  -7.878  -4.522  -4.233
  238   2HD   ARG  34          2HD       ARG  34  -9.442  -5.141  -3.740
  239    HE   ARG  34           HE       ARG  34  -9.919  -3.611  -6.061
  240   1HH1  ARG  34          1HH1      ARG  34  -8.060  -6.470  -5.194
  241   2HH1  ARG  34          2HH1      ARG  34  -8.172  -7.177  -6.772
  242   1HH2  ARG  34          1HH2      ARG  34 -10.068  -4.544  -8.142
  243   2HH2  ARG  34          2HH2      ARG  34  -9.321  -6.074  -8.459
  244    H    GLY  35           H        GLY  35  -6.290  -3.802  -0.214
  245   1HA   GLY  35          1HA       GLY  35  -5.741  -6.452  -1.412
  246   2HA   GLY  35          2HA       GLY  35  -5.364  -6.059   0.254
  247    H    CYS  36           H        CYS  36  -3.867  -4.128   0.635
  248    HA   CYS  36           HA       CYS  36  -1.483  -4.495  -0.594
  249   1HB   CYS  36          1HB       CYS  36  -3.177  -3.160  -2.403
  250   2HB   CYS  36          2HB       CYS  36  -2.092  -1.932  -1.781
  251    H    CYS  37           H        CYS  37  -0.570  -1.692  -0.627
  252    HA   CYS  37           HA       CYS  37  -1.187  -0.976   2.148
  253   1HB   CYS  37          1HB       CYS  37   1.422  -1.202   0.718
  254   2HB   CYS  37          2HB       CYS  37   1.241   0.082   1.897
  255    H    PHE  38           H        PHE  38  -1.203   1.366   2.578
  256    HA   PHE  38           HA       PHE  38  -1.563   2.921   0.113
  257   1HB   PHE  38          1HB       PHE  38  -3.664   2.575   1.386
  258   2HB   PHE  38          2HB       PHE  38  -2.867   2.974   2.895
  259    HD1  PHE  38           HD1      PHE  38  -4.044   4.393  -0.310
  260    HD2  PHE  38           HD2      PHE  38  -2.693   5.219   3.627
  261    HE1  PHE  38           HE1      PHE  38  -4.744   6.789  -0.572
  262    HE2  PHE  38           HE2      PHE  38  -3.393   7.615   3.365
  263    HZ   PHE  38           HZ       PHE  38  -4.410   8.371   1.268
  264    H    ASP  39           H        ASP  39  -1.390   5.426   0.685
  265    HA   ASP  39           HA       ASP  39   0.198   6.198   2.801
  266   1HB   ASP  39          1HB       ASP  39   2.026   4.967   1.753
  267   2HB   ASP  39          2HB       ASP  39   1.671   5.664   0.185
  268    H    SER  40           H        SER  40   0.434   8.548   2.747
  269    HA   SER  40           HA       SER  40  -0.455   9.797   0.280
  270   1HB   SER  40          1HB       SER  40  -1.959  11.297   1.503
  271   2HB   SER  40          2HB       SER  40  -2.416   9.632   1.800
  272    HG   SER  40           HG       SER  40  -0.868   9.933   3.778
  273    H    ARG  41           H        ARG  41   2.104   9.350   2.071
  274    HA   ARG  41           HA       ARG  41   2.800  11.741   3.205
  275   1HB   ARG  41          1HB       ARG  41   3.982   9.300   3.003
  276   2HB   ARG  41          2HB       ARG  41   4.936  10.145   1.800
  277   1HG   ARG  41          1HG       ARG  41   5.120  12.014   3.701
  278   2HG   ARG  41          2HG       ARG  41   4.720  10.683   4.769
  279   1HD   ARG  41          1HD       ARG  41   6.691   9.612   3.048
  280   2HD   ARG  41          2HD       ARG  41   7.244  11.245   3.366
  281    HE   ARG  41           HE       ARG  41   7.084   9.055   5.294
  282   1HH1  ARG  41          1HH1      ARG  41   7.093  12.556   4.939
  283   2HH1  ARG  41          2HH1      ARG  41   7.658  12.846   6.550
  284   1HH2  ARG  41          1HH2      ARG  41   7.830   9.437   7.420
  285   2HH2  ARG  41          2HH2      ARG  41   8.080  11.060   7.971
  286    H    ILE  42           H        ILE  42   3.354  10.480  -0.152
  287    HA   ILE  42           HA       ILE  42   3.535  13.227  -1.072
  288    HB   ILE  42           HB       ILE  42   5.552  12.090  -2.516
  289   1HG1  ILE  42          1HG1      ILE  42   7.117  11.097  -0.872
  290   2HG1  ILE  42          2HG1      ILE  42   5.849  11.106   0.337
  291   1HG2  ILE  42          1HG2      ILE  42   5.522  13.878  -0.093
  292   2HG2  ILE  42          2HG2      ILE  42   7.042  13.452  -0.916
  293   3HG2  ILE  42          3HG2      ILE  42   5.756  14.300  -1.807
  294   1HD1  ILE  42          1HD1      ILE  42   5.028   9.859  -2.227
  295   2HD1  ILE  42          2HD1      ILE  42   6.356   9.014  -1.396
  296   3HD1  ILE  42          3HD1      ILE  42   4.808   9.279  -0.559
  297    HA   PRO  43           HA       PRO  43   1.124  11.365  -4.149
  298   1HB   PRO  43          1HB       PRO  43   0.887  13.488  -5.853
  299   2HB   PRO  43          2HB       PRO  43  -0.114  13.286  -4.429
  300   1HG   PRO  43          1HG       PRO  43   2.153  15.136  -4.854
  301   2HG   PRO  43          2HG       PRO  43   0.893  15.205  -3.638
  302   1HD   PRO  43          1HD       PRO  43   3.603  14.344  -3.257
  303   2HD   PRO  43          2HD       PRO  43   2.313  14.303  -2.070
  304    H    GLY  44           H        GLY  44   4.040  13.064  -5.063
  305   1HA   GLY  44          1HA       GLY  44   5.713  12.320  -6.406
  306   2HA   GLY  44          2HA       GLY  44   4.446  12.384  -7.615
  307    H    VAL  45           H        VAL  45   4.908  10.151  -4.789
  308    HA   VAL  45           HA       VAL  45   5.469   7.976  -6.620
  309    HB   VAL  45           HB       VAL  45   6.312   6.868  -4.817
  310   1HG1  VAL  45          1HG1      VAL  45   7.110   9.444  -5.063
  311   2HG1  VAL  45          2HG1      VAL  45   6.604   9.435  -3.356
  312   3HG1  VAL  45          3HG1      VAL  45   7.840   8.287  -3.924
  313   1HG2  VAL  45          1HG2      VAL  45   4.205   8.288  -3.193
  314   2HG2  VAL  45          2HG2      VAL  45   4.474   6.542  -3.414
  315   3HG2  VAL  45          3HG2      VAL  45   5.589   7.493  -2.403
  316    HA   PRO  46           HA       PRO  46   1.536   6.189  -6.402
  317   1HB   PRO  46          1HB       PRO  46   1.965   3.513  -6.052
  318   2HB   PRO  46          2HB       PRO  46   2.160   4.321  -7.595
  319   1HG   PRO  46          1HG       PRO  46   4.243   3.361  -5.730
  320   2HG   PRO  46          2HG       PRO  46   4.394   3.772  -7.427
  321   1HD   PRO  46          1HD       PRO  46   5.234   5.364  -5.194
  322   2HD   PRO  46          2HD       PRO  46   5.278   5.824  -6.884
  323    H    TRP  47           H        TRP  47   0.592   7.268  -4.670
  324    HA   TRP  47           HA       TRP  47   0.928   6.965  -2.087
  325   1HB   TRP  47          1HB       TRP  47  -1.526   7.246  -3.740
  326   2HB   TRP  47          2HB       TRP  47  -1.749   6.867  -2.043
  327    HD1  TRP  47           HD1      TRP  47   1.154   9.176  -3.090
  328    HE1  TRP  47           HE1      TRP  47   0.788  11.635  -2.206
  329    HE3  TRP  47           HE3      TRP  47  -3.584   8.425  -1.404
  330    HZ2  TRP  47           HZ2      TRP  47  -1.393  12.960  -0.929
  331    HZ3  TRP  47           HZ3      TRP  47  -4.761  10.354  -0.352
  332    HH2  TRP  47           HH2      TRP  47  -3.742  12.561  -0.101
  333    H    CYS  48           H        CYS  48  -0.999   4.634  -4.109
  334    HA   CYS  48           HA       CYS  48  -0.919   2.762  -1.893
  335   1HB   CYS  48          1HB       CYS  48  -3.005   3.332  -3.310
  336   2HB   CYS  48          2HB       CYS  48  -2.286   2.306  -4.535
  337    H    PHE  49           H        PHE  49   0.876   1.455  -1.798
  338    HA   PHE  49           HA       PHE  49   1.883   0.421  -4.347
  339   1HB   PHE  49          1HB       PHE  49   4.185   0.623  -3.118
  340   2HB   PHE  49          2HB       PHE  49   3.475   2.124  -3.679
  341    HD1  PHE  49           HD1      PHE  49   3.635  -0.044  -0.651
  342    HD2  PHE  49           HD2      PHE  49   3.222   3.888  -2.193
  343    HE1  PHE  49           HE1      PHE  49   3.753   0.882   1.679
  344    HE2  PHE  49           HE2      PHE  49   3.340   4.814   0.137
  345    HZ   PHE  49           HZ       PHE  49   3.604   3.300   2.045
  346    H    LYS  50           H        LYS  50   3.258  -1.591  -4.031
  347    HA   LYS  50           HA       LYS  50   1.842  -3.409  -2.413
  348   1HB   LYS  50          1HB       LYS  50   4.389  -3.602  -4.033
  349   2HB   LYS  50          2HB       LYS  50   3.742  -4.960  -3.134
  350   1HG   LYS  50          1HG       LYS  50   1.492  -3.988  -4.489
  351   2HG   LYS  50          2HG       LYS  50   2.780  -3.748  -5.654
  352   1HD   LYS  50          1HD       LYS  50   3.214  -6.334  -4.508
  353   2HD   LYS  50          2HD       LYS  50   1.497  -6.230  -4.841
  354   1HE   LYS  50          1HE       LYS  50   2.402  -5.183  -7.170
  355   2HE   LYS  50          2HE       LYS  50   3.815  -6.136  -6.760
  356   1HZ   LYS  50          1HZ       LYS  50   1.557  -7.682  -6.300
  357   2HZ   LYS  50          2HZ       LYS  50   1.410  -7.028  -7.789
  358   3HZ   LYS  50          3HZ       LYS  50   2.729  -7.915  -7.413
  359    HA   PRO  51           HA       PRO  51   4.082  -3.306   1.274
  360   1HB   PRO  51          1HB       PRO  51   4.146  -5.914   2.086
  361   2HB   PRO  51          2HB       PRO  51   2.737  -4.888   2.268
  362   1HG   PRO  51          1HG       PRO  51   3.208  -7.061   0.320
  363   2HG   PRO  51          2HG       PRO  51   1.691  -6.324   0.798
  364   1HD   PRO  51          1HD       PRO  51   3.139  -5.850  -1.633
  365   2HD   PRO  51          2HD       PRO  51   1.685  -5.030  -1.102
  366    H    LEU  52           H        LEU  52   6.115  -2.666   1.552
  367    HA   LEU  52           HA       LEU  52   8.182  -3.254   0.021
  368   1HB   LEU  52          1HB       LEU  52   8.317  -1.673   1.805
  369   2HB   LEU  52          2HB       LEU  52   8.144  -2.925   3.018
  370    HG   LEU  52           HG       LEU  52  10.510  -2.648   1.144
  371   1HD1  LEU  52          1HD1      LEU  52   9.900  -1.008   3.276
  372   2HD1  LEU  52          2HD1      LEU  52  10.985  -2.220   3.998
  373   3HD1  LEU  52          3HD1      LEU  52  11.519  -1.277   2.586
  374   1HD2  LEU  52          1HD2      LEU  52   9.671  -4.727   3.055
  375   2HD2  LEU  52          2HD2      LEU  52  10.791  -4.809   1.674
  376   3HD2  LEU  52          3HD2      LEU  52  11.353  -4.176   3.240
  377    H    GLN  53           H        GLN  53   9.577  -4.912  -0.469
  378    HA   GLN  53           HA       GLN  53   8.750  -7.486   0.169
  379   1HB   GLN  53          1HB       GLN  53  10.971  -8.138  -0.911
  380   2HB   GLN  53          2HB       GLN  53   9.914  -7.144  -1.893
  381   1HG   GLN  53          1HG       GLN  53  11.761  -5.581  -0.167
  382   2HG   GLN  53          2HG       GLN  53  12.579  -6.585  -1.347
  383   2HE2  GLN  53          2HE2      GLN  53  11.472  -3.608  -0.835
  384   1HE2  GLN  53          1HE2      GLN  53  11.073  -3.081  -2.435
  385    H    GLU  54           H        GLU  54   8.635  -7.290   2.579
  386    HA   GLU  54           HA       GLU  54  10.668  -6.721   4.227
  387   1HB   GLU  54          1HB       GLU  54   9.506  -7.956   5.907
  388   2HB   GLU  54          2HB       GLU  54   8.267  -7.411   4.794
  389   1HG   GLU  54          1HG       GLU  54   9.523 -10.191   4.906
  390   2HG   GLU  54          2HG       GLU  54   7.875  -9.769   5.325
  391    H    ALA  55           H        ALA  55  12.724  -7.468   4.498
  392    HA   ALA  55           HA       ALA  55  13.233 -10.297   4.306
  393   1HB   ALA  55          1HB       ALA  55  14.687 -10.261   2.469
  394   2HB   ALA  55          2HB       ALA  55  13.364  -9.196   1.935
  395   3HB   ALA  55          3HB       ALA  55  14.886  -8.493   2.534
  396    H    GLU  56           H        GLU  56  15.601 -10.734   4.918
  397    HA   GLU  56           HA       GLU  56  16.860  -8.540   6.262
  398   1HB   GLU  56          1HB       GLU  56  15.100  -9.707   7.842
  399   2HB   GLU  56          2HB       GLU  56  16.285 -10.994   7.943
  400   1HG   GLU  56          1HG       GLU  56  17.022  -9.690   9.714
  401   2HG   GLU  56          2HG       GLU  56  17.968  -8.962   8.430
  402    H    CYS  57           H        CYS  57  18.953  -8.706   5.596
  403    HA   CYS  57           HA       CYS  57  20.015 -11.423   5.308
  404   1HB   CYS  57          1HB       CYS  57  19.697  -9.697   3.269
  405   2HB   CYS  57          2HB       CYS  57  21.280  -9.184   3.821
  406    H    THR  58           H        THR  58  21.090  -7.954   5.662
  407    HA   THR  58           HA       THR  58  22.311  -8.403   8.167
  408    HB   THR  58           HB       THR  58  23.887  -9.709   6.679
  409    HG1  THR  58           HG1      THR  58  25.670  -8.599   7.674
  410   1HG2  THR  58          1HG2      THR  58  23.552  -7.592   4.872
  411   2HG2  THR  58          2HG2      THR  58  25.125  -7.234   5.624
  412   3HG2  THR  58          3HG2      THR  58  24.862  -8.795   4.810
  413    H    PHE  59           H        PHE  59  22.381  -6.504   9.211
  414    HA   PHE  59           HA       PHE  59  22.047  -4.342   9.542
  415   1HB   PHE  59          1HB       PHE  59  24.449  -4.416   8.802
  416   2HB   PHE  59          2HB       PHE  59  23.951  -4.313   7.125
  417    HD1  PHE  59           HD1      PHE  59  23.473  -2.397  10.301
  418    HD2  PHE  59           HD2      PHE  59  24.131  -2.257   6.111
  419    HE1  PHE  59           HE1      PHE  59  23.625   0.106  10.409
  420    HE2  PHE  59           HE2      PHE  59  24.283   0.246   6.219
  421    HZ   PHE  59           HZ       PHE  59  24.028   1.398   8.367

  No H/Q in entry =         421
  Start of MODEL    5
    1    H    GLU   1           H        GLU   1  10.397 -14.158  19.094
    2    HA   GLU   1           HA       GLU   1   8.405 -13.840  20.377
    3   1HB   GLU   1          1HB       GLU   1   9.963 -11.438  19.417
    4   2HB   GLU   1          2HB       GLU   1   8.602 -11.185  20.490
    5   1HG   GLU   1          1HG       GLU   1   9.711 -13.090  21.950
    6   2HG   GLU   1          2HG       GLU   1  11.154 -12.738  21.019
    7    H    GLU   2           H        GLU   2   7.134 -14.639  18.102
    8    HA   GLU   2           HA       GLU   2   5.315 -14.415  16.939
    9   1HB   GLU   2          1HB       GLU   2   4.760 -12.242  18.992
   10   2HB   GLU   2          2HB       GLU   2   3.595 -12.650  17.747
   11   1HG   GLU   2          1HG       GLU   2   3.266 -14.848  18.584
   12   2HG   GLU   2          2HG       GLU   2   4.791 -14.856  19.448
   13    H    TYR   3           H        TYR   3   5.595 -10.887  17.700
   14    HA   TYR   3           HA       TYR   3   5.832  -9.115  16.389
   15   1HB   TYR   3          1HB       TYR   3   8.082 -10.358  16.113
   16   2HB   TYR   3          2HB       TYR   3   7.427 -11.124  14.679
   17    HD1  TYR   3           HD1      TYR   3   8.477  -7.873  16.128
   18    HD2  TYR   3           HD2      TYR   3   7.368  -9.982  12.574
   19    HE1  TYR   3           HE1      TYR   3   9.281  -5.922  14.710
   20    HE2  TYR   3           HE2      TYR   3   8.176  -8.023  11.169
   21    HH   TYR   3           HH       TYR   3  10.105  -5.580  12.423
   22    H    VAL   4           H        VAL   4   5.329  -8.112  14.231
   23    HA   VAL   4           HA       VAL   4   4.210  -9.612  12.160
   24    HB   VAL   4           HB       VAL   4   2.508 -10.104  13.884
   25   1HG1  VAL   4          1HG1      VAL   4   2.804  -7.411  14.568
   26   2HG1  VAL   4          2HG1      VAL   4   1.191  -7.507  13.820
   27   3HG1  VAL   4          3HG1      VAL   4   1.593  -8.549  15.206
   28   1HG2  VAL   4          1HG2      VAL   4   2.025  -8.891  11.259
   29   2HG2  VAL   4          2HG2      VAL   4   1.349 -10.371  11.981
   30   3HG2  VAL   4          3HG2      VAL   4   0.620  -8.788  12.346
   31    H    GLY   5           H        GLY   5   4.294  -8.318  10.379
   32   1HA   GLY   5          1HA       GLY   5   4.928  -6.440   9.254
   33   2HA   GLY   5          2HA       GLY   5   5.000  -5.543  10.758
   34    H    LEU   6           H        LEU   6   2.113  -6.844  11.256
   35    HA   LEU   6           HA       LEU   6   0.261  -6.107   9.502
   36   1HB   LEU   6          1HB       LEU   6   0.325  -6.743  12.178
   37   2HB   LEU   6          2HB       LEU   6  -0.380  -5.139  12.191
   38    HG   LEU   6           HG       LEU   6  -1.567  -6.901  10.163
   39   1HD1  LEU   6          1HD1      LEU   6  -1.141  -7.952  12.846
   40   2HD1  LEU   6          2HD1      LEU   6  -2.866  -7.857  12.419
   41   3HD1  LEU   6          3HD1      LEU   6  -1.740  -8.758  11.377
   42   1HD2  LEU   6          1HD2      LEU   6  -2.428  -4.668  10.853
   43   2HD2  LEU   6          2HD2      LEU   6  -3.626  -5.978  10.984
   44   3HD2  LEU   6          3HD2      LEU   6  -2.822  -5.357  12.446
   45    H    SER   7           H        SER   7   0.460  -4.397   8.114
   46    HA   SER   7           HA       SER   7   0.498  -2.350   7.397
   47   1HB   SER   7          1HB       SER   7  -0.735  -0.668   8.550
   48   2HB   SER   7          2HB       SER   7  -1.467  -2.183   9.038
   49    HG   SER   7           HG       SER   7  -0.836  -1.873  11.072
   50    H    ALA   8           H        ALA   8   1.748  -0.272   7.438
   51    HA   ALA   8           HA       ALA   8   3.492   1.010   7.950
   52   1HB   ALA   8          1HB       ALA   8   3.749   1.365  10.153
   53   2HB   ALA   8          2HB       ALA   8   2.768  -0.086  10.471
   54   3HB   ALA   8          3HB       ALA   8   4.539  -0.219  10.348
   55    H    ASN   9           H        ASN   9   4.697  -1.993   9.555
   56    HA   ASN   9           HA       ASN   9   7.114  -2.027   8.458
   57   1HB   ASN   9          1HB       ASN   9   5.621  -3.791   9.981
   58   2HB   ASN   9          2HB       ASN   9   5.804  -4.721   8.507
   59   2HD2  ASN   9          2HD2      ASN   9   7.249  -3.626  11.370
   60   1HD2  ASN   9          1HD2      ASN   9   8.857  -4.226  11.136
   61    H    GLN  10           H        GLN  10   4.030  -3.268   7.044
   62    HA   GLN  10           HA       GLN  10   5.296  -4.364   4.770
   63   1HB   GLN  10          1HB       GLN  10   2.825  -4.377   3.926
   64   2HB   GLN  10          2HB       GLN  10   3.248  -5.388   5.293
   65   1HG   GLN  10          1HG       GLN  10   2.197  -3.961   6.856
   66   2HG   GLN  10          2HG       GLN  10   2.306  -2.559   5.809
   67   2HE2  GLN  10          2HE2      GLN  10   1.168  -5.871   5.193
   68   1HE2  GLN  10          1HE2      GLN  10  -0.444  -5.466   4.706
   69    H    CYS  11           H        CYS  11   3.818  -1.234   5.646
   70    HA   CYS  11           HA       CYS  11   4.369  -0.310   2.923
   71   1HB   CYS  11          1HB       CYS  11   2.772   1.424   4.688
   72   2HB   CYS  11          2HB       CYS  11   2.572   1.040   2.990
   73    H    ALA  12           H        ALA  12   6.570  -0.690   4.600
   74    HA   ALA  12           HA       ALA  12   7.098   1.948   5.756
   75   1HB   ALA  12          1HB       ALA  12   9.135  -0.121   6.138
   76   2HB   ALA  12          2HB       ALA  12   7.528  -0.653   6.687
   77   3HB   ALA  12          3HB       ALA  12   8.245   0.836   7.347
   78    H    VAL  13           H        VAL  13   6.936   1.784   2.922
   79    HA   VAL  13           HA       VAL  13   9.707   1.603   2.043
   80    HB   VAL  13           HB       VAL  13   7.680   2.398   0.095
   81   1HG1  VAL  13          1HG1      VAL  13  10.051   0.706   0.316
   82   2HG1  VAL  13          2HG1      VAL  13   8.750  -0.069  -0.620
   83   3HG1  VAL  13          3HG1      VAL  13   9.362   1.531  -1.103
   84   1HG2  VAL  13          1HG2      VAL  13   7.220  -0.023   1.822
   85   2HG2  VAL  13          2HG2      VAL  13   6.050   1.161   1.189
   86   3HG2  VAL  13          3HG2      VAL  13   6.765  -0.054   0.101
   87    HA   PRO  14           HA       PRO  14  10.206   5.894   2.062
   88   1HB   PRO  14          1HB       PRO  14  12.133   6.237   0.155
   89   2HB   PRO  14          2HB       PRO  14  12.485   5.708   1.788
   90   1HG   PRO  14          1HG       PRO  14  12.436   4.119  -0.704
   91   2HG   PRO  14          2HG       PRO  14  13.181   3.727   0.833
   92   1HD   PRO  14          1HD       PRO  14  10.726   2.667  -0.203
   93   2HD   PRO  14          2HD       PRO  14  11.412   2.366   1.381
   94    H    ALA  15           H        ALA  15  10.243   4.811  -1.308
   95    HA   ALA  15           HA       ALA  15   7.910   5.727  -2.160
   96   1HB   ALA  15          1HB       ALA  15   9.739   8.049  -1.601
   97   2HB   ALA  15          2HB       ALA  15   7.976   7.915  -1.395
   98   3HB   ALA  15          3HB       ALA  15   8.669   8.123  -3.021
   99    H    LYS  16           H        LYS  16  11.382   5.444  -2.554
  100    HA   LYS  16           HA       LYS  16  11.131   5.429  -5.454
  101   1HB   LYS  16          1HB       LYS  16  13.546   5.417  -5.478
  102   2HB   LYS  16          2HB       LYS  16  12.978   6.686  -4.413
  103   1HG   LYS  16          1HG       LYS  16  14.556   5.742  -3.006
  104   2HG   LYS  16          2HG       LYS  16  13.183   4.750  -2.557
  105   1HD   LYS  16          1HD       LYS  16  14.373   2.922  -3.172
  106   2HD   LYS  16          2HD       LYS  16  14.267   3.464  -4.835
  107   1HE   LYS  16          1HE       LYS  16  16.365   4.696  -4.655
  108   2HE   LYS  16          2HE       LYS  16  16.422   4.463  -2.919
  109   1HZ   LYS  16          1HZ       LYS  16  16.256   1.961  -3.785
  110   2HZ   LYS  16          2HZ       LYS  16  17.099   2.633  -5.012
  111   3HZ   LYS  16          3HZ       LYS  16  17.667   2.726  -3.483
  112    H    ASP  17           H        ASP  17  10.367   3.343  -3.048
  113    HA   ASP  17           HA       ASP  17  11.385   1.076  -4.574
  114   1HB   ASP  17          1HB       ASP  17  11.373   1.666  -1.710
  115   2HB   ASP  17          2HB       ASP  17  10.488   0.186  -2.020
  116    H    ARG  18           H        ARG  18   8.787   2.955  -4.432
  117    HA   ARG  18           HA       ARG  18   6.768   1.142  -3.645
  118   1HB   ARG  18          1HB       ARG  18   6.369   3.607  -5.394
  119   2HB   ARG  18          2HB       ARG  18   5.225   2.892  -4.276
  120   1HG   ARG  18          1HG       ARG  18   7.864   4.204  -3.468
  121   2HG   ARG  18          2HG       ARG  18   6.293   4.973  -3.366
  122   1HD   ARG  18          1HD       ARG  18   5.571   2.970  -1.880
  123   2HD   ARG  18          2HD       ARG  18   7.268   2.543  -1.804
  124    HE   ARG  18           HE       ARG  18   7.546   4.250  -0.247
  125   1HH1  ARG  18          1HH1      ARG  18   4.794   5.052  -2.287
  126   2HH1  ARG  18          2HH1      ARG  18   4.416   6.506  -1.425
  127   1HH2  ARG  18          1HH2      ARG  18   7.048   6.168   0.891
  128   2HH2  ARG  18          2HH2      ARG  18   5.707   7.145   0.394
  129    H    VAL  19           H        VAL  19   6.027  -0.556  -4.879
  130    HA   VAL  19           HA       VAL  19   6.763  -0.660  -7.665
  131    HB   VAL  19           HB       VAL  19   5.237  -2.599  -5.914
  132   1HG1  VAL  19          1HG1      VAL  19   6.301  -2.743  -8.727
  133   2HG1  VAL  19          2HG1      VAL  19   6.194  -4.215  -7.732
  134   3HG1  VAL  19          3HG1      VAL  19   4.728  -3.268  -8.080
  135   1HG2  VAL  19          1HG2      VAL  19   7.486  -2.179  -5.039
  136   2HG2  VAL  19          2HG2      VAL  19   7.370  -3.815  -5.731
  137   3HG2  VAL  19          3HG2      VAL  19   8.186  -2.520  -6.639
  138    H    ASP  20           H        ASP  20   4.244   0.696  -5.836
  139    HA   ASP  20           HA       ASP  20   2.308   1.528  -6.339
  140   1HB   ASP  20          1HB       ASP  20   3.199   2.626  -8.256
  141   2HB   ASP  20          2HB       ASP  20   3.415   1.123  -9.131
  142    H    CYS  21           H        CYS  21   0.451   0.345  -5.864
  143    HA   CYS  21           HA       CYS  21   0.193  -2.300  -6.964
  144   1HB   CYS  21          1HB       CYS  21  -0.394  -1.264  -4.533
  145   2HB   CYS  21          2HB       CYS  21  -1.971  -1.165  -5.291
  146    H    GLY  22           H        GLY  22  -0.860   0.977  -7.568
  147   1HA   GLY  22          1HA       GLY  22  -2.205   0.278  -9.954
  148   2HA   GLY  22          2HA       GLY  22  -2.147   1.855  -9.192
  149    H    TYR  23           H        TYR  23  -3.812   2.520  -7.732
  150    HA   TYR  23           HA       TYR  23  -6.224   0.884  -7.966
  151   1HB   TYR  23          1HB       TYR  23  -4.661   1.834  -5.538
  152   2HB   TYR  23          2HB       TYR  23  -6.408   1.894  -5.413
  153    HD1  TYR  23           HD1      TYR  23  -7.642  -0.365  -6.158
  154    HD2  TYR  23           HD2      TYR  23  -3.576  -0.102  -4.853
  155    HE1  TYR  23           HE1      TYR  23  -7.675  -2.830  -5.534
  156    HE2  TYR  23           HE2      TYR  23  -3.623  -2.567  -4.233
  157    HH   TYR  23           HH       TYR  23  -5.284  -4.235  -3.616
  158    HA   PRO  24           HA       PRO  24  -7.989   4.768  -8.701
  159   1HB   PRO  24          1HB       PRO  24 -10.636   4.202  -8.323
  160   2HB   PRO  24          2HB       PRO  24  -9.777   3.823  -9.803
  161   1HG   PRO  24          1HG       PRO  24 -10.634   2.001  -7.638
  162   2HG   PRO  24          2HG       PRO  24 -10.169   1.611  -9.282
  163   1HD   PRO  24          1HD       PRO  24  -8.579   1.262  -6.920
  164   2HD   PRO  24          2HD       PRO  24  -8.075   0.980  -8.575
  165    H    HIS  25           H        HIS  25 -10.107   3.542  -6.167
  166    HA   HIS  25           HA       HIS  25  -9.743   6.074  -4.823
  167   1HB   HIS  25          1HB       HIS  25 -11.622   5.415  -3.469
  168   2HB   HIS  25          2HB       HIS  25 -12.000   5.153  -5.160
  169    HD1  HIS  25           HD1      HIS  25 -13.744   3.614  -3.340
  170    HD2  HIS  25           HD2      HIS  25  -9.995   2.146  -4.519
  171    HE1  HIS  25           HE1      HIS  25 -13.829   1.086  -3.005
  172    HE2  HIS  25           HE2      HIS  25 -11.517   0.234  -3.797
  173    H    VAL  26           H        VAL  26  -7.524   5.858  -4.150
  174    HA   VAL  26           HA       VAL  26  -6.996   3.674  -2.290
  175    HB   VAL  26           HB       VAL  26  -4.663   4.504  -2.446
  176   1HG1  VAL  26          1HG1      VAL  26  -6.054   3.827  -5.059
  177   2HG1  VAL  26          2HG1      VAL  26  -4.294   3.764  -4.798
  178   3HG1  VAL  26          3HG1      VAL  26  -5.370   2.685  -3.878
  179   1HG2  VAL  26          1HG2      VAL  26  -5.577   6.882  -3.157
  180   2HG2  VAL  26          2HG2      VAL  26  -3.998   6.295  -3.731
  181   3HG2  VAL  26          3HG2      VAL  26  -5.421   6.206  -4.796
  182    H    THR  27           H        THR  27  -6.637   3.984  -0.097
  183    HA   THR  27           HA       THR  27  -6.409   6.672   0.934
  184    HB   THR  27           HB       THR  27  -8.512   6.786   1.982
  185    HG1  THR  27           HG1      THR  27  -9.482   4.845   2.705
  186   1HG2  THR  27          1HG2      THR  27  -9.008   4.956  -0.424
  187   2HG2  THR  27          2HG2      THR  27 -10.292   5.794   0.480
  188   3HG2  THR  27          3HG2      THR  27  -9.080   6.734  -0.423
  189    HA   PRO  28           HA       PRO  28  -4.388   4.644   4.135
  190   1HB   PRO  28          1HB       PRO  28  -5.072   5.992   6.412
  191   2HB   PRO  28          2HB       PRO  28  -3.901   6.596   5.256
  192   1HG   PRO  28          1HG       PRO  28  -6.686   7.478   5.705
  193   2HG   PRO  28          2HG       PRO  28  -5.387   8.319   4.881
  194   1HD   PRO  28          1HD       PRO  28  -7.592   6.951   3.659
  195   2HD   PRO  28          2HD       PRO  28  -6.232   7.691   2.838
  196    H    LYS  29           H        LYS  29  -6.690   3.271   3.319
  197    HA   LYS  29           HA       LYS  29  -6.865   1.427   5.376
  198   1HB   LYS  29          1HB       LYS  29  -8.164   3.507   6.331
  199   2HB   LYS  29          2HB       LYS  29  -9.452   2.950   5.282
  200   1HG   LYS  29          1HG       LYS  29  -8.407   0.631   6.618
  201   2HG   LYS  29          2HG       LYS  29  -8.608   1.872   7.839
  202   1HD   LYS  29          1HD       LYS  29 -10.948   2.101   6.304
  203   2HD   LYS  29          2HD       LYS  29 -10.661   0.373   6.337
  204   1HE   LYS  29          1HE       LYS  29 -10.998   0.210   8.627
  205   2HE   LYS  29          2HE       LYS  29 -10.317   1.791   8.953
  206   1HZ   LYS  29          1HZ       LYS  29 -12.882   1.486   7.576
  207   2HZ   LYS  29          2HZ       LYS  29 -12.781   1.539   9.205
  208   3HZ   LYS  29          3HZ       LYS  29 -12.287   2.815   8.314
  209    H    GLU  30           H        GLU  30  -8.796   3.079   2.793
  210    HA   GLU  30           HA       GLU  30 -10.013   0.708   1.960
  211   1HB   GLU  30          1HB       GLU  30 -11.032   2.836   1.431
  212   2HB   GLU  30          2HB       GLU  30  -9.591   3.403   0.610
  213   1HG   GLU  30          1HG       GLU  30 -10.050   2.221  -1.319
  214   2HG   GLU  30          2HG       GLU  30 -10.709   0.848  -0.453
  215    H    CYS  31           H        CYS  31  -7.076   2.510   0.886
  216    HA   CYS  31           HA       CYS  31  -6.558   0.890  -1.331
  217   1HB   CYS  31          1HB       CYS  31  -5.418   2.858  -1.442
  218   2HB   CYS  31          2HB       CYS  31  -5.052   2.890   0.271
  219    H    ASN  32           H        ASN  32  -5.870   0.667   2.170
  220    HA   ASN  32           HA       ASN  32  -4.144  -1.588   1.751
  221   1HB   ASN  32          1HB       ASN  32  -3.475  -0.139   3.560
  222   2HB   ASN  32          2HB       ASN  32  -5.105  -0.039   4.195
  223   2HD2  ASN  32          2HD2      ASN  32  -5.197  -0.979   6.081
  224   1HD2  ASN  32          1HD2      ASN  32  -4.522  -2.510   6.528
  225    H    ASN  33           H        ASN  33  -7.441  -1.039   1.705
  226    HA   ASN  33           HA       ASN  33  -8.142  -3.356   3.275
  227   1HB   ASN  33          1HB       ASN  33  -9.593  -1.389   3.521
  228   2HB   ASN  33          2HB       ASN  33  -9.794  -1.255   1.785
  229   2HD2  ASN  33          2HD2      ASN  33 -12.071  -1.253   2.686
  230   1HD2  ASN  33          1HD2      ASN  33 -12.903  -2.771   2.751
  231    H    ARG  34           H        ARG  34  -8.104  -2.050  -0.086
  232    HA   ARG  34           HA       ARG  34  -9.523  -4.086  -1.277
  233   1HB   ARG  34          1HB       ARG  34  -8.437  -1.739  -2.138
  234   2HB   ARG  34          2HB       ARG  34  -7.238  -2.839  -2.791
  235   1HG   ARG  34          1HG       ARG  34 -10.243  -3.133  -3.257
  236   2HG   ARG  34          2HG       ARG  34  -9.159  -2.323  -4.371
  237   1HD   ARG  34          1HD       ARG  34  -7.776  -4.622  -4.166
  238   2HD   ARG  34          2HD       ARG  34  -9.338  -5.261  -3.694
  239    HE   ARG  34           HE       ARG  34  -9.925  -3.794  -5.969
  240   1HH1  ARG  34          1HH1      ARG  34  -7.614  -6.347  -5.244
  241   2HH1  ARG  34          2HH1      ARG  34  -7.604  -6.972  -6.859
  242   1HH2  ARG  34          1HH2      ARG  34  -9.912  -4.619  -8.101
  243   2HH2  ARG  34          2HH2      ARG  34  -8.920  -5.982  -8.495
  244    H    GLY  35           H        GLY  35  -6.199  -3.888  -0.090
  245   1HA   GLY  35          1HA       GLY  35  -5.639  -6.547  -1.264
  246   2HA   GLY  35          2HA       GLY  35  -5.236  -6.105   0.383
  247    H    CYS  36           H        CYS  36  -3.771  -4.107   0.658
  248    HA   CYS  36           HA       CYS  36  -1.399  -4.522  -0.624
  249   1HB   CYS  36          1HB       CYS  36  -3.145  -3.196  -2.384
  250   2HB   CYS  36          2HB       CYS  36  -2.053  -1.960  -1.793
  251    H    CYS  37           H        CYS  37  -0.490  -1.716  -0.690
  252    HA   CYS  37           HA       CYS  37  -1.024  -0.994   2.100
  253   1HB   CYS  37          1HB       CYS  37   1.534  -1.315   0.626
  254   2HB   CYS  37          2HB       CYS  37   1.420   0.064   1.702
  255    H    PHE  38           H        PHE  38  -0.983   1.358   2.523
  256    HA   PHE  38           HA       PHE  38  -1.417   2.903   0.064
  257   1HB   PHE  38          1HB       PHE  38  -3.483   2.584   1.396
  258   2HB   PHE  38          2HB       PHE  38  -2.638   2.970   2.882
  259    HD1  PHE  38           HD1      PHE  38  -3.974   4.390  -0.247
  260    HD2  PHE  38           HD2      PHE  38  -2.336   5.231   3.577
  261    HE1  PHE  38           HE1      PHE  38  -4.655   6.794  -0.484
  262    HE2  PHE  38           HE2      PHE  38  -3.017   7.635   3.340
  263    HZ   PHE  38           HZ       PHE  38  -4.168   8.388   1.312
  264    H    ASP  39           H        ASP  39  -1.208   5.409   0.620
  265    HA   ASP  39           HA       ASP  39   0.456   6.171   2.684
  266   1HB   ASP  39          1HB       ASP  39   2.213   4.899   1.520
  267   2HB   ASP  39          2HB       ASP  39   1.839   5.695   0.005
  268    H    SER  40           H        SER  40   0.666   8.516   2.641
  269    HA   SER  40           HA       SER  40  -0.263   9.782   0.199
  270   1HB   SER  40          1HB       SER  40  -1.745  11.280   1.476
  271   2HB   SER  40          2HB       SER  40  -2.218   9.608   1.702
  272    HG   SER  40           HG       SER  40  -2.074  10.039   3.793
  273    H    ARG  41           H        ARG  41   2.318   9.334   1.951
  274    HA   ARG  41           HA       ARG  41   3.008  11.721   3.103
  275   1HB   ARG  41          1HB       ARG  41   4.202   9.286   2.871
  276   2HB   ARG  41          2HB       ARG  41   5.143  10.150   1.671
  277   1HG   ARG  41          1HG       ARG  41   6.024  11.673   3.253
  278   2HG   ARG  41          2HG       ARG  41   4.709  11.421   4.384
  279   1HD   ARG  41          1HD       ARG  41   5.679   8.900   4.391
  280   2HD   ARG  41          2HD       ARG  41   7.149   9.716   3.896
  281    HE   ARG  41           HE       ARG  41   5.837   9.907   6.516
  282   1HH1  ARG  41          1HH1      ARG  41   8.115  11.417   4.299
  283   2HH1  ARG  41          2HH1      ARG  41   8.939  12.297   5.543
  284   1HH2  ARG  41          1HH2      ARG  41   6.924  11.068   8.158
  285   2HH2  ARG  41          2HH2      ARG  41   8.257  12.097   7.752
  286    H    ILE  42           H        ILE  42   3.327  10.537  -0.289
  287    HA   ILE  42           HA       ILE  42   3.539  13.268  -1.186
  288    HB   ILE  42           HB       ILE  42   5.570  12.217  -2.656
  289   1HG1  ILE  42          1HG1      ILE  42   7.171  11.201  -1.068
  290   2HG1  ILE  42          2HG1      ILE  42   5.925  11.158   0.164
  291   1HG2  ILE  42          1HG2      ILE  42   5.258  14.441  -1.372
  292   2HG2  ILE  42          2HG2      ILE  42   6.140  13.625  -0.059
  293   3HG2  ILE  42          3HG2      ILE  42   6.906  13.830  -1.652
  294   1HD1  ILE  42          1HD1      ILE  42   5.246   9.933  -2.495
  295   2HD1  ILE  42          2HD1      ILE  42   6.399   9.060  -1.457
  296   3HD1  ILE  42          3HD1      ILE  42   4.764   9.429  -0.857
  297    HA   PRO  43           HA       PRO  43   1.146  11.353  -4.246
  298   1HB   PRO  43          1HB       PRO  43   0.818  13.483  -5.926
  299   2HB   PRO  43          2HB       PRO  43  -0.158  13.235  -4.492
  300   1HG   PRO  43          1HG       PRO  43   2.041  15.163  -4.926
  301   2HG   PRO  43          2HG       PRO  43   0.795  15.178  -3.694
  302   1HD   PRO  43          1HD       PRO  43   3.536  14.403  -3.354
  303   2HD   PRO  43          2HD       PRO  43   2.263  14.309  -2.153
  304    H    GLY  44           H        GLY  44   4.009  13.134  -5.156
  305   1HA   GLY  44          1HA       GLY  44   5.683  12.465  -6.533
  306   2HA   GLY  44          2HA       GLY  44   4.401  12.499  -7.728
  307    H    VAL  45           H        VAL  45   4.730  10.238  -4.928
  308    HA   VAL  45           HA       VAL  45   5.409   8.099  -6.788
  309    HB   VAL  45           HB       VAL  45   6.286   6.976  -5.000
  310   1HG1  VAL  45          1HG1      VAL  45   6.705   9.861  -4.930
  311   2HG1  VAL  45          2HG1      VAL  45   6.984   9.108  -3.341
  312   3HG1  VAL  45          3HG1      VAL  45   7.878   8.532  -4.769
  313   1HG2  VAL  45          1HG2      VAL  45   4.248   8.431  -3.317
  314   2HG2  VAL  45          2HG2      VAL  45   4.476   6.681  -3.546
  315   3HG2  VAL  45          3HG2      VAL  45   5.642   7.611  -2.574
  316    HA   PRO  46           HA       PRO  46   1.520   6.227  -6.502
  317   1HB   PRO  46          1HB       PRO  46   2.010   3.559  -6.172
  318   2HB   PRO  46          2HB       PRO  46   2.159   4.377  -7.715
  319   1HG   PRO  46          1HG       PRO  46   4.296   3.452  -5.894
  320   2HG   PRO  46          2HG       PRO  46   4.406   3.874  -7.591
  321   1HD   PRO  46          1HD       PRO  46   5.256   5.473  -5.368
  322   2HD   PRO  46          2HD       PRO  46   5.259   5.941  -7.057
  323    H    TRP  47           H        TRP  47   0.623   7.303  -4.732
  324    HA   TRP  47           HA       TRP  47   1.011   6.970  -2.161
  325   1HB   TRP  47          1HB       TRP  47  -1.485   7.252  -3.753
  326   2HB   TRP  47          2HB       TRP  47  -1.657   6.874  -2.051
  327    HD1  TRP  47           HD1      TRP  47   1.203   9.193  -3.197
  328    HE1  TRP  47           HE1      TRP  47   0.858  11.651  -2.301
  329    HE3  TRP  47           HE3      TRP  47  -3.469   8.424  -1.343
  330    HZ2  TRP  47           HZ2      TRP  47  -1.281  12.968  -0.947
  331    HZ3  TRP  47           HZ3      TRP  47  -4.616  10.348  -0.249
  332    HH2  TRP  47           HH2      TRP  47  -3.597  12.559  -0.036
  333    H    CYS  48           H        CYS  48  -1.027   4.680  -4.125
  334    HA   CYS  48           HA       CYS  48  -0.863   2.776  -1.947
  335   1HB   CYS  48          1HB       CYS  48  -2.988   3.368  -3.292
  336   2HB   CYS  48          2HB       CYS  48  -2.310   2.355  -4.552
  337    H    PHE  49           H        PHE  49   0.906   1.432  -1.921
  338    HA   PHE  49           HA       PHE  49   1.836   0.427  -4.508
  339   1HB   PHE  49          1HB       PHE  49   4.179   0.612  -3.348
  340   2HB   PHE  49          2HB       PHE  49   3.460   2.116  -3.891
  341    HD1  PHE  49           HD1      PHE  49   3.620  -0.051  -0.856
  342    HD2  PHE  49           HD2      PHE  49   3.337   3.888  -2.410
  343    HE1  PHE  49           HE1      PHE  49   3.812   0.880   1.468
  344    HE2  PHE  49           HE2      PHE  49   3.529   4.818  -0.087
  345    HZ   PHE  49           HZ       PHE  49   3.763   3.303   1.824
  346    H    LYS  50           H        LYS  50   3.228  -1.586  -4.242
  347    HA   LYS  50           HA       LYS  50   1.854  -3.443  -2.669
  348   1HB   LYS  50          1HB       LYS  50   4.419  -3.508  -4.254
  349   2HB   LYS  50          2HB       LYS  50   3.910  -4.891  -3.307
  350   1HG   LYS  50          1HG       LYS  50   1.565  -4.141  -4.660
  351   2HG   LYS  50          2HG       LYS  50   2.821  -3.859  -5.849
  352   1HD   LYS  50          1HD       LYS  50   3.477  -6.349  -4.630
  353   2HD   LYS  50          2HD       LYS  50   1.743  -6.396  -4.881
  354   1HE   LYS  50          1HE       LYS  50   2.781  -5.266  -7.267
  355   2HE   LYS  50          2HE       LYS  50   3.902  -6.551  -6.860
  356   1HZ   LYS  50          1HZ       LYS  50   1.860  -7.951  -6.539
  357   2HZ   LYS  50          2HZ       LYS  50   1.014  -6.768  -7.282
  358   3HZ   LYS  50          3HZ       LYS  50   2.213  -7.539  -8.079
  359    HA   PRO  51           HA       PRO  51   3.929  -3.301   1.112
  360   1HB   PRO  51          1HB       PRO  51   3.981  -5.909   1.926
  361   2HB   PRO  51          2HB       PRO  51   2.557  -4.895   2.049
  362   1HG   PRO  51          1HG       PRO  51   3.128  -7.063   0.122
  363   2HG   PRO  51          2HG       PRO  51   1.587  -6.340   0.535
  364   1HD   PRO  51          1HD       PRO  51   3.131  -5.852  -1.832
  365   2HD   PRO  51          2HD       PRO  51   1.648  -5.044  -1.363
  366    H    LEU  52           H        LEU  52   5.941  -2.684   1.548
  367    HA   LEU  52           HA       LEU  52   8.079  -3.258   0.075
  368   1HB   LEU  52          1HB       LEU  52   8.326  -1.651   1.718
  369   2HB   LEU  52          2HB       LEU  52   7.759  -2.706   2.998
  370    HG   LEU  52           HG       LEU  52  10.394  -3.129   1.571
  371   1HD1  LEU  52          1HD1      LEU  52   9.813  -1.514   4.064
  372   2HD1  LEU  52          2HD1      LEU  52  11.433  -2.086   3.599
  373   3HD1  LEU  52          3HD1      LEU  52  10.552  -0.954   2.545
  374   1HD2  LEU  52          1HD2      LEU  52   8.905  -4.670   3.458
  375   2HD2  LEU  52          2HD2      LEU  52  10.498  -5.007   2.740
  376   3HD2  LEU  52          3HD2      LEU  52  10.382  -4.075   4.252
  377    H    GLN  53           H        GLN  53   9.503  -4.914  -0.325
  378    HA   GLN  53           HA       GLN  53   8.669  -7.482   0.309
  379   1HB   GLN  53          1HB       GLN  53  10.928  -8.144  -0.650
  380   2HB   GLN  53          2HB       GLN  53   9.952  -7.127  -1.691
  381   1HG   GLN  53          1HG       GLN  53  11.750  -5.645   0.174
  382   2HG   GLN  53          2HG       GLN  53  12.579  -6.611  -1.030
  383   2HE2  GLN  53          2HE2      GLN  53  11.914  -3.636  -0.513
  384   1HE2  GLN  53          1HE2      GLN  53  11.429  -3.028  -2.061
  385    H    GLU  54           H        GLU  54   8.414  -7.267   2.703
  386    HA   GLU  54           HA       GLU  54  10.448  -6.694   4.411
  387   1HB   GLU  54          1HB       GLU  54   9.161  -7.942   6.100
  388   2HB   GLU  54          2HB       GLU  54   8.086  -7.001   5.085
  389   1HG   GLU  54          1HG       GLU  54   6.937  -8.910   4.661
  390   2HG   GLU  54          2HG       GLU  54   8.313  -9.463   3.727
  391    H    ALA  55           H        ALA  55  12.503  -7.525   4.231
  392    HA   ALA  55           HA       ALA  55  12.707 -10.450   4.294
  393   1HB   ALA  55          1HB       ALA  55  14.437 -10.426   2.644
  394   2HB   ALA  55          2HB       ALA  55  13.112  -9.442   1.980
  395   3HB   ALA  55          3HB       ALA  55  14.544  -8.650   2.678
  396    H    GLU  56           H        GLU  56  13.892 -11.130   6.011
  397    HA   GLU  56           HA       GLU  56  14.962 -10.929   7.920
  398   1HB   GLU  56          1HB       GLU  56  17.250 -10.936   7.581
  399   2HB   GLU  56          2HB       GLU  56  16.719 -11.072   5.916
  400   1HG   GLU  56          1HG       GLU  56  16.706  -8.351   6.161
  401   2HG   GLU  56          2HG       GLU  56  17.950  -8.735   7.334
  402    H    CYS  57           H        CYS  57  16.906  -9.064   8.918
  403    HA   CYS  57           HA       CYS  57  17.067  -7.160   9.995
  404   1HB   CYS  57          1HB       CYS  57  15.359  -6.152   7.721
  405   2HB   CYS  57          2HB       CYS  57  15.919  -5.103   9.009
  406    H    THR  58           H        THR  58  16.036  -6.234  11.830
  407    HA   THR  58           HA       THR  58  13.134  -6.519  12.012
  408    HB   THR  58           HB       THR  58  13.474  -7.622  14.282
  409    HG1  THR  58           HG1      THR  58  15.623  -7.280  14.807
  410   1HG2  THR  58          1HG2      THR  58  13.227  -8.960  12.015
  411   2HG2  THR  58          2HG2      THR  58  14.972  -9.257  12.200
  412   3HG2  THR  58          3HG2      THR  58  13.837  -9.823  13.448
  413    H    PHE  59           H        PHE  59  16.156  -5.468  13.714
  414    HA   PHE  59           HA       PHE  59  14.738  -2.970  14.282
  415   1HB   PHE  59          1HB       PHE  59  14.714  -4.131  16.391
  416   2HB   PHE  59          2HB       PHE  59  16.241  -4.928  16.069
  417    HD1  PHE  59           HD1      PHE  59  14.733  -1.663  16.952
  418    HD2  PHE  59           HD2      PHE  59  18.274  -3.998  16.818
  419    HE1  PHE  59           HE1      PHE  59  15.928   0.070  18.319
  420    HE2  PHE  59           HE2      PHE  59  19.469  -2.265  18.185
  421    HZ   PHE  59           HZ       PHE  59  18.282  -0.252  18.920

  No H/Q in entry =         421
  Start of MODEL    6
    1    H    GLU   1           H        GLU   1  -0.608  -6.422  21.863
    2    HA   GLU   1           HA       GLU   1   0.778  -5.559  23.358
    3   1HB   GLU   1          1HB       GLU   1   0.918  -8.495  23.339
    4   2HB   GLU   1          2HB       GLU   1   2.325  -7.786  24.105
    5   1HG   GLU   1          1HG       GLU   1   0.258  -6.244  25.157
    6   2HG   GLU   1          2HG       GLU   1  -0.500  -7.817  25.011
    7    H    GLU   2           H        GLU   2   2.708  -7.768  21.214
    8    HA   GLU   2           HA       GLU   2   4.551  -5.630  20.782
    9   1HB   GLU   2          1HB       GLU   2   6.551  -6.885  21.517
   10   2HB   GLU   2          2HB       GLU   2   5.463  -6.595  22.860
   11   1HG   GLU   2          1HG       GLU   2   4.687  -9.083  21.613
   12   2HG   GLU   2          2HG       GLU   2   6.422  -9.122  21.855
   13    H    TYR   3           H        TYR   3   3.084  -6.333  18.791
   14    HA   TYR   3           HA       TYR   3   4.817  -7.685  16.999
   15   1HB   TYR   3          1HB       TYR   3   3.459  -9.454  18.484
   16   2HB   TYR   3          2HB       TYR   3   2.074  -8.945  17.539
   17    HD1  TYR   3           HD1      TYR   3   2.576  -8.924  14.867
   18    HD2  TYR   3           HD2      TYR   3   4.582 -11.349  17.766
   19    HE1  TYR   3           HE1      TYR   3   3.216 -10.582  13.048
   20    HE2  TYR   3           HE2      TYR   3   5.215 -12.998  15.937
   21    HH   TYR   3           HH       TYR   3   3.911 -12.697  12.708
   22    H    VAL   4           H        VAL   4   4.508  -6.767  15.025
   23    HA   VAL   4           HA       VAL   4   1.986  -6.302  13.923
   24    HB   VAL   4           HB       VAL   4   1.834  -4.575  15.643
   25   1HG1  VAL   4          1HG1      VAL   4   4.518  -4.236  15.354
   26   2HG1  VAL   4          2HG1      VAL   4   3.907  -2.840  14.434
   27   3HG1  VAL   4          3HG1      VAL   4   3.437  -3.058  16.137
   28   1HG2  VAL   4          1HG2      VAL   4   1.985  -3.821  12.741
   29   2HG2  VAL   4          2HG2      VAL   4   0.571  -3.951  13.814
   30   3HG2  VAL   4          3HG2      VAL   4   1.671  -2.558  13.955
   31    H    GLY   5           H        GLY   5   2.911  -7.276  12.110
   32   1HA   GLY   5          1HA       GLY   5   4.902  -7.517  10.732
   33   2HA   GLY   5          2HA       GLY   5   5.157  -5.790  10.884
   34    H    LEU   6           H        LEU   6   1.836  -6.115  10.782
   35    HA   LEU   6           HA       LEU   6   1.812  -5.967   7.847
   36   1HB   LEU   6          1HB       LEU   6  -0.562  -6.686   8.042
   37   2HB   LEU   6          2HB       LEU   6   0.630  -7.895   8.477
   38    HG   LEU   6           HG       LEU   6  -0.186  -6.425  10.832
   39   1HD1  LEU   6          1HD1      LEU   6  -2.248  -6.018   9.528
   40   2HD1  LEU   6          2HD1      LEU   6  -2.444  -7.776   9.330
   41   3HD1  LEU   6          3HD1      LEU   6  -2.517  -7.050  10.953
   42   1HD2  LEU   6          1HD2      LEU   6  -0.335  -9.317   9.956
   43   2HD2  LEU   6          2HD2      LEU   6   0.865  -8.549  11.023
   44   3HD2  LEU   6          3HD2      LEU   6  -0.817  -8.748  11.572
   45    H    SER   7           H        SER   7   2.632  -3.700   9.149
   46    HA   SER   7           HA       SER   7   0.826  -1.850   8.261
   47   1HB   SER   7          1HB       SER   7   0.220  -0.861  10.607
   48   2HB   SER   7          2HB       SER   7  -0.730  -2.193   9.981
   49    HG   SER   7           HG       SER   7   0.536  -3.662  11.278
   50    H    ALA   8           H        ALA   8   2.235  -0.228   7.719
   51    HA   ALA   8           HA       ALA   8   3.755   1.391   8.033
   52   1HB   ALA   8          1HB       ALA   8   4.628   1.917  10.135
   53   2HB   ALA   8          2HB       ALA   8   4.680   0.215  10.654
   54   3HB   ALA   8          3HB       ALA   8   3.122   1.071  10.563
   55    H    ASN   9           H        ASN   9   5.224  -1.440   9.774
   56    HA   ASN   9           HA       ASN   9   7.645  -1.252   8.573
   57   1HB   ASN   9          1HB       ASN   9   6.123  -3.306  10.060
   58   2HB   ASN   9          2HB       ASN   9   7.246  -4.029   8.925
   59   2HD2  ASN   9          2HD2      ASN   9   7.786  -4.573  11.394
   60   1HD2  ASN   9          1HD2      ASN   9   9.110  -3.667  12.046
   61    H    GLN  10           H        GLN  10   4.588  -2.740   7.454
   62    HA   GLN  10           HA       GLN  10   5.860  -4.052   5.260
   63   1HB   GLN  10          1HB       GLN  10   3.603  -4.602   6.641
   64   2HB   GLN  10          2HB       GLN  10   2.883  -3.657   5.352
   65   1HG   GLN  10          1HG       GLN  10   4.359  -5.192   3.766
   66   2HG   GLN  10          2HG       GLN  10   4.421  -6.261   5.154
   67   2HE2  GLN  10          2HE2      GLN  10   3.267  -7.814   3.985
   68   1HE2  GLN  10          1HE2      GLN  10   1.552  -7.723   3.755
   69    H    CYS  11           H        CYS  11   4.132  -1.010   5.928
   70    HA   CYS  11           HA       CYS  11   4.403  -0.342   3.088
   71   1HB   CYS  11          1HB       CYS  11   2.618   1.244   4.868
   72   2HB   CYS  11          2HB       CYS  11   2.494   0.915   3.151
   73    H    ALA  12           H        ALA  12   6.705  -0.239   4.634
   74    HA   ALA  12           HA       ALA  12   6.938   2.621   5.279
   75   1HB   ALA  12          1HB       ALA  12   9.045   1.485   6.558
   76   2HB   ALA  12          2HB       ALA  12   7.450   1.714   7.313
   77   3HB   ALA  12          3HB       ALA  12   7.887   0.134   6.619
   78    H    VAL  13           H        VAL  13   7.066   2.203   2.653
   79    HA   VAL  13           HA       VAL  13   9.809   1.552   1.942
   80    HB   VAL  13           HB       VAL  13   7.926   2.492  -0.118
   81   1HG1  VAL  13          1HG1      VAL  13  10.141   0.607   0.208
   82   2HG1  VAL  13          2HG1      VAL  13   8.793  -0.071  -0.736
   83   3HG1  VAL  13          3HG1      VAL  13   9.560   1.452  -1.246
   84   1HG2  VAL  13          1HG2      VAL  13   7.281   0.128   1.647
   85   2HG2  VAL  13          2HG2      VAL  13   6.212   1.435   1.083
   86   3HG2  VAL  13          3HG2      VAL  13   6.765   0.183  -0.056
   87    HA   PRO  14           HA       PRO  14  10.989   5.699   1.667
   88   1HB   PRO  14          1HB       PRO  14  13.036   5.569  -0.139
   89   2HB   PRO  14          2HB       PRO  14  13.219   5.136   1.549
   90   1HG   PRO  14          1HG       PRO  14  13.036   3.363  -0.809
   91   2HG   PRO  14          2HG       PRO  14  13.633   2.995   0.797
   92   1HD   PRO  14          1HD       PRO  14  11.092   2.246  -0.303
   93   2HD   PRO  14          2HD       PRO  14  11.643   1.980   1.339
   94    H    ALA  15           H        ALA  15   9.241   4.248  -0.630
   95    HA   ALA  15           HA       ALA  15   7.819   5.245  -2.064
   96   1HB   ALA  15          1HB       ALA  15   9.350   7.773  -2.401
   97   2HB   ALA  15          2HB       ALA  15   8.721   7.464  -0.764
   98   3HB   ALA  15          3HB       ALA  15   7.607   7.515  -2.151
   99    H    LYS  16           H        LYS  16  11.344   5.334  -2.320
  100    HA   LYS  16           HA       LYS  16  11.229   5.395  -5.214
  101   1HB   LYS  16          1HB       LYS  16  13.658   5.455  -5.088
  102   2HB   LYS  16          2HB       LYS  16  12.956   6.682  -4.053
  103   1HG   LYS  16          1HG       LYS  16  14.384   5.815  -2.480
  104   2HG   LYS  16          2HG       LYS  16  13.112   4.629  -2.258
  105   1HD   LYS  16          1HD       LYS  16  15.017   3.274  -2.570
  106   2HD   LYS  16          2HD       LYS  16  14.300   3.287  -4.169
  107   1HE   LYS  16          1HE       LYS  16  16.072   4.409  -5.080
  108   2HE   LYS  16          2HE       LYS  16  16.131   5.565  -3.765
  109   1HZ   LYS  16          1HZ       LYS  16  17.238   3.870  -2.437
  110   2HZ   LYS  16          2HZ       LYS  16  17.232   2.841  -3.705
  111   3HZ   LYS  16          3HZ       LYS  16  18.089   4.229  -3.783
  112    H    ASP  17           H        ASP  17  10.352   3.144  -3.058
  113    HA   ASP  17           HA       ASP  17  11.495   1.026  -4.701
  114   1HB   ASP  17          1HB       ASP  17  11.822   1.442  -1.883
  115   2HB   ASP  17          2HB       ASP  17  10.739   0.076  -2.056
  116    H    ARG  18           H        ARG  18   8.875   2.696  -4.579
  117    HA   ARG  18           HA       ARG  18   6.928   0.908  -3.597
  118   1HB   ARG  18          1HB       ARG  18   6.451   3.189  -5.567
  119   2HB   ARG  18          2HB       ARG  18   5.318   2.536  -4.401
  120   1HG   ARG  18          1HG       ARG  18   7.932   3.702  -3.413
  121   2HG   ARG  18          2HG       ARG  18   6.640   4.789  -3.883
  122   1HD   ARG  18          1HD       ARG  18   5.291   2.917  -2.310
  123   2HD   ARG  18          2HD       ARG  18   6.844   3.024  -1.507
  124    HE   ARG  18           HE       ARG  18   5.551   5.599  -2.209
  125   1HH1  ARG  18          1HH1      ARG  18   6.252   3.198   0.265
  126   2HH1  ARG  18          2HH1      ARG  18   5.917   4.271   1.583
  127   1HH2  ARG  18          1HH2      ARG  18   5.108   7.015  -0.472
  128   2HH2  ARG  18          2HH2      ARG  18   5.261   6.457   1.161
  129    H    VAL  19           H        VAL  19   5.545  -0.507  -4.786
  130    HA   VAL  19           HA       VAL  19   6.519  -1.098  -7.480
  131    HB   VAL  19           HB       VAL  19   4.973  -2.678  -5.424
  132   1HG1  VAL  19          1HG1      VAL  19   5.443  -3.222  -8.348
  133   2HG1  VAL  19          2HG1      VAL  19   5.337  -4.567  -7.188
  134   3HG1  VAL  19          3HG1      VAL  19   3.968  -3.445  -7.377
  135   1HG2  VAL  19          1HG2      VAL  19   7.788  -2.486  -6.246
  136   2HG2  VAL  19          2HG2      VAL  19   7.069  -3.132  -4.752
  137   3HG2  VAL  19          3HG2      VAL  19   7.166  -4.153  -6.207
  138    H    ASP  20           H        ASP  20   4.226   0.805  -5.997
  139    HA   ASP  20           HA       ASP  20   2.284   1.618  -6.541
  140   1HB   ASP  20          1HB       ASP  20   3.349   2.591  -8.435
  141   2HB   ASP  20          2HB       ASP  20   3.517   1.049  -9.250
  142    H    CYS  21           H        CYS  21   0.659   0.196  -5.770
  143    HA   CYS  21           HA       CYS  21   0.188  -2.310  -6.985
  144   1HB   CYS  21          1HB       CYS  21  -0.368  -1.240  -4.559
  145   2HB   CYS  21          2HB       CYS  21  -1.939  -1.094  -5.321
  146    H    GLY  22           H        GLY  22  -0.784   1.007  -7.565
  147   1HA   GLY  22          1HA       GLY  22  -2.106   0.377  -9.977
  148   2HA   GLY  22          2HA       GLY  22  -2.055   1.934  -9.174
  149    H    TYR  23           H        TYR  23  -3.748   2.578  -7.747
  150    HA   TYR  23           HA       TYR  23  -6.154   0.939  -8.038
  151   1HB   TYR  23          1HB       TYR  23  -4.630   1.873  -5.581
  152   2HB   TYR  23          2HB       TYR  23  -6.377   1.950  -5.483
  153    HD1  TYR  23           HD1      TYR  23  -7.616  -0.299  -6.273
  154    HD2  TYR  23           HD2      TYR  23  -3.582  -0.072  -4.867
  155    HE1  TYR  23           HE1      TYR  23  -7.684  -2.765  -5.657
  156    HE2  TYR  23           HE2      TYR  23  -3.663  -2.539  -4.256
  157    HH   TYR  23           HH       TYR  23  -5.837  -4.614  -5.431
  158    HA   PRO  24           HA       PRO  24  -7.924   4.818  -8.784
  159   1HB   PRO  24          1HB       PRO  24 -10.573   4.247  -8.434
  160   2HB   PRO  24          2HB       PRO  24  -9.697   3.870  -9.905
  161   1HG   PRO  24          1HG       PRO  24 -10.573   2.046  -7.750
  162   2HG   PRO  24          2HG       PRO  24 -10.091   1.656  -9.389
  163   1HD   PRO  24          1HD       PRO  24  -8.525   1.310  -7.011
  164   2HD   PRO  24          2HD       PRO  24  -8.002   1.030  -8.660
  165    H    HIS  25           H        HIS  25 -10.102   3.615  -6.296
  166    HA   HIS  25           HA       HIS  25  -9.731   6.135  -4.935
  167   1HB   HIS  25          1HB       HIS  25 -11.645   5.505  -3.628
  168   2HB   HIS  25          2HB       HIS  25 -11.990   5.227  -5.323
  169    HD1  HIS  25           HD1      HIS  25 -13.766   3.727  -3.476
  170    HD2  HIS  25           HD2      HIS  25 -10.040   2.205  -4.656
  171    HE1  HIS  25           HE1      HIS  25 -13.883   1.202  -3.128
  172    HE2  HIS  25           HE2      HIS  25 -11.584   0.316  -3.922
  173    H    VAL  26           H        VAL  26  -7.530   5.897  -4.216
  174    HA   VAL  26           HA       VAL  26  -7.054   3.700  -2.361
  175    HB   VAL  26           HB       VAL  26  -4.715   4.531  -2.455
  176   1HG1  VAL  26          1HG1      VAL  26  -6.028   3.873  -5.114
  177   2HG1  VAL  26          2HG1      VAL  26  -4.282   3.774  -4.779
  178   3HG1  VAL  26          3HG1      VAL  26  -5.417   2.714  -3.909
  179   1HG2  VAL  26          1HG2      VAL  26  -5.832   6.873  -3.415
  180   2HG2  VAL  26          2HG2      VAL  26  -4.102   6.451  -3.442
  181   3HG2  VAL  26          3HG2      VAL  26  -5.116   6.142  -4.872
  182    H    THR  27           H        THR  27  -6.866   3.974  -0.160
  183    HA   THR  27           HA       THR  27  -6.596   6.653   0.908
  184    HB   THR  27           HB       THR  27  -8.730   6.764   1.919
  185    HG1  THR  27           HG1      THR  27  -9.892   4.742   2.289
  186   1HG2  THR  27          1HG2      THR  27  -9.163   5.074  -0.600
  187   2HG2  THR  27          2HG2      THR  27 -10.468   5.888   0.296
  188   3HG2  THR  27          3HG2      THR  27  -9.202   6.851  -0.504
  189    HA   PRO  28           HA       PRO  28  -4.711   4.560   4.149
  190   1HB   PRO  28          1HB       PRO  28  -5.430   5.915   6.411
  191   2HB   PRO  28          2HB       PRO  28  -4.211   6.495   5.293
  192   1HG   PRO  28          1HG       PRO  28  -6.987   7.441   5.663
  193   2HG   PRO  28          2HG       PRO  28  -5.645   8.254   4.883
  194   1HD   PRO  28          1HD       PRO  28  -7.844   6.943   3.590
  195   2HD   PRO  28          2HD       PRO  28  -6.444   7.654   2.812
  196    H    LYS  29           H        LYS  29  -7.058   3.276   3.261
  197    HA   LYS  29           HA       LYS  29  -7.325   1.416   5.304
  198   1HB   LYS  29          1HB       LYS  29  -8.589   3.510   6.247
  199   2HB   LYS  29          2HB       LYS  29  -9.857   3.031   5.137
  200   1HG   LYS  29          1HG       LYS  29  -8.706   0.802   6.753
  201   2HG   LYS  29          2HG       LYS  29  -9.555   2.019   7.684
  202   1HD   LYS  29          1HD       LYS  29 -11.015   1.266   5.229
  203   2HD   LYS  29          2HD       LYS  29 -10.733  -0.106   6.282
  204   1HE   LYS  29          1HE       LYS  29 -11.563   1.552   8.195
  205   2HE   LYS  29          2HE       LYS  29 -12.274   2.437   6.860
  206   1HZ   LYS  29          1HZ       LYS  29 -13.368   0.378   6.194
  207   2HZ   LYS  29          2HZ       LYS  29 -12.755  -0.391   7.497
  208   3HZ   LYS  29          3HZ       LYS  29 -13.809   0.840   7.697
  209    H    GLU  30           H        GLU  30  -8.906   3.128   2.556
  210    HA   GLU  30           HA       GLU  30 -10.223   0.775   1.705
  211   1HB   GLU  30          1HB       GLU  30 -11.150   2.991   1.208
  212   2HB   GLU  30          2HB       GLU  30  -9.708   3.441   0.320
  213   1HG   GLU  30          1HG       GLU  30 -10.328   2.263  -1.553
  214   2HG   GLU  30          2HG       GLU  30 -10.950   0.913  -0.625
  215    H    CYS  31           H        CYS  31  -7.160   2.468   0.928
  216    HA   CYS  31           HA       CYS  31  -6.604   0.846  -1.331
  217   1HB   CYS  31          1HB       CYS  31  -5.527   2.856  -1.472
  218   2HB   CYS  31          2HB       CYS  31  -5.166   2.925   0.242
  219    H    ASN  32           H        ASN  32  -6.207   0.656   2.180
  220    HA   ASN  32           HA       ASN  32  -4.321  -1.509   1.913
  221   1HB   ASN  32          1HB       ASN  32  -5.565  -0.540   4.521
  222   2HB   ASN  32          2HB       ASN  32  -4.004  -1.304   4.290
  223   2HD2  ASN  32          2HD2      ASN  32  -5.901   1.605   3.777
  224   1HD2  ASN  32          1HD2      ASN  32  -4.589   2.725   3.622
  225    H    ASN  33           H        ASN  33  -7.609  -1.109   1.614
  226    HA   ASN  33           HA       ASN  33  -8.294  -3.455   3.169
  227   1HB   ASN  33          1HB       ASN  33  -9.848  -1.625   3.494
  228   2HB   ASN  33          2HB       ASN  33  -9.929  -1.286   1.777
  229   2HD2  ASN  33          2HD2      ASN  33 -12.228  -1.408   2.112
  230   1HD2  ASN  33          1HD2      ASN  33 -13.046  -2.934   2.073
  231    H    ARG  34           H        ARG  34  -8.302  -2.025  -0.150
  232    HA   ARG  34           HA       ARG  34  -9.622  -4.040  -1.441
  233   1HB   ARG  34          1HB       ARG  34  -8.518  -1.665  -2.198
  234   2HB   ARG  34          2HB       ARG  34  -7.299  -2.742  -2.849
  235   1HG   ARG  34          1HG       ARG  34 -10.292  -2.984  -3.418
  236   2HG   ARG  34          2HG       ARG  34  -9.144  -2.203  -4.487
  237   1HD   ARG  34          1HD       ARG  34  -7.831  -4.516  -4.300
  238   2HD   ARG  34          2HD       ARG  34  -9.387  -5.143  -3.793
  239    HE   ARG  34           HE       ARG  34  -9.849  -3.592  -6.124
  240   1HH1  ARG  34          1HH1      ARG  34  -8.130  -6.527  -5.221
  241   2HH1  ARG  34          2HH1      ARG  34  -8.291  -7.255  -6.784
  242   1HH2  ARG  34          1HH2      ARG  34 -10.061  -4.552  -8.187
  243   2HH2  ARG  34          2HH2      ARG  34  -9.396  -6.124  -8.483
  244    H    GLY  35           H        GLY  35  -6.308  -3.842  -0.199
  245   1HA   GLY  35          1HA       GLY  35  -5.721  -6.480  -1.408
  246   2HA   GLY  35          2HA       GLY  35  -5.345  -6.068   0.253
  247    H    CYS  36           H        CYS  36  -3.851  -4.139   0.620
  248    HA   CYS  36           HA       CYS  36  -1.475  -4.496  -0.634
  249   1HB   CYS  36          1HB       CYS  36  -3.185  -3.167  -2.422
  250   2HB   CYS  36          2HB       CYS  36  -2.122  -1.924  -1.792
  251    H    CYS  37           H        CYS  37  -0.582  -1.681  -0.657
  252    HA   CYS  37           HA       CYS  37  -1.173  -0.989   2.130
  253   1HB   CYS  37          1HB       CYS  37   1.425  -1.227   0.687
  254   2HB   CYS  37          2HB       CYS  37   1.259   0.072   1.851
  255    H    PHE  38           H        PHE  38  -1.172   1.352   2.575
  256    HA   PHE  38           HA       PHE  38  -1.551   2.923   0.122
  257   1HB   PHE  38          1HB       PHE  38  -3.644   2.568   1.410
  258   2HB   PHE  38          2HB       PHE  38  -2.836   2.963   2.914
  259    HD1  PHE  38           HD1      PHE  38  -4.041   4.388  -0.277
  260    HD2  PHE  38           HD2      PHE  38  -2.653   5.208   3.648
  261    HE1  PHE  38           HE1      PHE  38  -4.744   6.785  -0.529
  262    HE2  PHE  38           HE2      PHE  38  -3.356   7.604   3.396
  263    HZ   PHE  38           HZ       PHE  38  -4.393   8.364   1.311
  264    H    ASP  39           H        ASP  39  -1.373   5.424   0.711
  265    HA   ASP  39           HA       ASP  39   0.226   6.185   2.821
  266   1HB   ASP  39          1HB       ASP  39   2.043   4.944   1.758
  267   2HB   ASP  39          2HB       ASP  39   1.694   5.664   0.199
  268    H    SER  40           H        SER  40   0.437   8.530   2.785
  269    HA   SER  40           HA       SER  40  -0.458   9.786   0.320
  270   1HB   SER  40          1HB       SER  40  -1.943  11.286   1.551
  271   2HB   SER  40          2HB       SER  40  -2.389   9.626   1.891
  272    HG   SER  40           HG       SER  40  -0.669  10.101   3.789
  273    H    ARG  41           H        ARG  41   2.130   9.324   2.058
  274    HA   ARG  41           HA       ARG  41   2.865  11.701   3.189
  275   1HB   ARG  41          1HB       ARG  41   4.035   9.238   2.870
  276   2HB   ARG  41          2HB       ARG  41   4.994  10.166   1.734
  277   1HG   ARG  41          1HG       ARG  41   4.579  11.565   4.314
  278   2HG   ARG  41          2HG       ARG  41   5.418  10.036   4.490
  279   1HD   ARG  41          1HD       ARG  41   6.636  11.206   2.231
  280   2HD   ARG  41          2HD       ARG  41   6.375  12.562   3.310
  281    HE   ARG  41           HE       ARG  41   7.518  10.189   4.620
  282   1HH1  ARG  41          1HH1      ARG  41   8.205  13.204   2.941
  283   2HH1  ARG  41          2HH1      ARG  41   9.804  13.350   3.592
  284   1HH2  ARG  41          1HH2      ARG  41   9.627  10.382   5.480
  285   2HH2  ARG  41          2HH2      ARG  41  10.618  11.734   5.046
  286    H    ILE  42           H        ILE  42   3.442  10.451  -0.176
  287    HA   ILE  42           HA       ILE  42   3.561  13.211  -1.087
  288    HB   ILE  42           HB       ILE  42   5.565  12.090  -2.563
  289   1HG1  ILE  42          1HG1      ILE  42   7.157  11.101  -0.944
  290   2HG1  ILE  42          2HG1      ILE  42   5.906  11.101   0.284
  291   1HG2  ILE  42          1HG2      ILE  42   5.404  13.978  -0.266
  292   2HG2  ILE  42          2HG2      ILE  42   7.018  13.412  -0.760
  293   3HG2  ILE  42          3HG2      ILE  42   5.966  14.237  -1.935
  294   1HD1  ILE  42          1HD1      ILE  42   5.038   9.857  -2.261
  295   2HD1  ILE  42          2HD1      ILE  42   6.400   9.021  -1.478
  296   3HD1  ILE  42          3HD1      ILE  42   4.876   9.262  -0.591
  297    HA   PRO  43           HA       PRO  43   1.119  11.350  -4.141
  298   1HB   PRO  43          1HB       PRO  43   0.834  13.487  -5.821
  299   2HB   PRO  43          2HB       PRO  43  -0.143  13.261  -4.384
  300   1HG   PRO  43          1HG       PRO  43   2.097  15.138  -4.826
  301   2HG   PRO  43          2HG       PRO  43   0.856  15.182  -3.590
  302   1HD   PRO  43          1HD       PRO  43   3.579  14.347  -3.257
  303   2HD   PRO  43          2HD       PRO  43   2.308  14.281  -2.053
  304    H    GLY  44           H        GLY  44   4.008  13.081  -5.075
  305   1HA   GLY  44          1HA       GLY  44   5.664  12.376  -6.456
  306   2HA   GLY  44          2HA       GLY  44   4.377  12.425  -7.644
  307    H    VAL  45           H        VAL  45   4.838  10.183  -4.831
  308    HA   VAL  45           HA       VAL  45   5.432   8.025  -6.680
  309    HB   VAL  45           HB       VAL  45   6.323   6.924  -4.897
  310   1HG1  VAL  45          1HG1      VAL  45   7.126   9.465  -5.154
  311   2HG1  VAL  45          2HG1      VAL  45   6.551   9.536  -3.471
  312   3HG1  VAL  45          3HG1      VAL  45   7.810   8.365  -3.932
  313   1HG2  VAL  45          1HG2      VAL  45   4.226   8.304  -3.221
  314   2HG2  VAL  45          2HG2      VAL  45   4.488   6.564  -3.486
  315   3HG2  VAL  45          3HG2      VAL  45   5.621   7.490  -2.473
  316    HA   PRO  46           HA       PRO  46   1.529   6.180  -6.401
  317   1HB   PRO  46          1HB       PRO  46   1.994   3.513  -6.028
  318   2HB   PRO  46          2HB       PRO  46   2.165   4.308  -7.581
  319   1HG   PRO  46          1HG       PRO  46   4.276   3.391  -5.726
  320   2HG   PRO  46          2HG       PRO  46   4.406   3.787  -7.428
  321   1HD   PRO  46          1HD       PRO  46   5.248   5.412  -5.218
  322   2HD   PRO  46          2HD       PRO  46   5.271   5.855  -6.914
  323    H    TRP  47           H        TRP  47   0.566   7.249  -4.681
  324    HA   TRP  47           HA       TRP  47   0.943   6.965  -2.090
  325   1HB   TRP  47          1HB       TRP  47  -1.520   7.257  -3.726
  326   2HB   TRP  47          2HB       TRP  47  -1.736   6.873  -2.030
  327    HD1  TRP  47           HD1      TRP  47   1.168   9.176  -3.087
  328    HE1  TRP  47           HE1      TRP  47   0.815  11.633  -2.192
  329    HE3  TRP  47           HE3      TRP  47  -3.560   8.433  -1.371
  330    HZ2  TRP  47           HZ2      TRP  47  -1.353  12.961  -0.895
  331    HZ3  TRP  47           HZ3      TRP  47  -4.725  10.362  -0.303
  332    HH2  TRP  47           HH2      TRP  47  -3.697  12.565  -0.053
  333    H    CYS  48           H        CYS  48  -1.014   4.638  -4.089
  334    HA   CYS  48           HA       CYS  48  -0.924   2.771  -1.870
  335   1HB   CYS  48          1HB       CYS  48  -3.018   3.339  -3.268
  336   2HB   CYS  48          2HB       CYS  48  -2.307   2.323  -4.506
  337    H    PHE  49           H        PHE  49   0.898   1.498  -1.780
  338    HA   PHE  49           HA       PHE  49   1.882   0.443  -4.331
  339   1HB   PHE  49          1HB       PHE  49   4.188   0.641  -3.108
  340   2HB   PHE  49          2HB       PHE  49   3.478   2.144  -3.664
  341    HD1  PHE  49           HD1      PHE  49   3.626  -0.032  -0.640
  342    HD2  PHE  49           HD2      PHE  49   3.248   3.906  -2.175
  343    HE1  PHE  49           HE1      PHE  49   3.752   0.889   1.692
  344    HE2  PHE  49           HE2      PHE  49   3.374   4.827   0.156
  345    HZ   PHE  49           HZ       PHE  49   3.625   3.308   2.062
  346    H    LYS  50           H        LYS  50   3.233  -1.578  -4.032
  347    HA   LYS  50           HA       LYS  50   1.825  -3.382  -2.389
  348   1HB   LYS  50          1HB       LYS  50   4.478  -3.804  -3.791
  349   2HB   LYS  50          2HB       LYS  50   3.356  -5.039  -3.259
  350   1HG   LYS  50          1HG       LYS  50   1.610  -3.793  -4.788
  351   2HG   LYS  50          2HG       LYS  50   3.012  -3.032  -5.512
  352   1HD   LYS  50          1HD       LYS  50   2.701  -4.936  -6.873
  353   2HD   LYS  50          2HD       LYS  50   3.960  -5.456  -5.771
  354   1HE   LYS  50          1HE       LYS  50   2.455  -6.779  -4.472
  355   2HE   LYS  50          2HE       LYS  50   1.041  -5.947  -5.088
  356   1HZ   LYS  50          1HZ       LYS  50   2.803  -7.564  -6.789
  357   2HZ   LYS  50          2HZ       LYS  50   1.467  -8.159  -6.063
  358   3HZ   LYS  50          3HZ       LYS  50   1.331  -6.969  -7.173
  359    HA   PRO  51           HA       PRO  51   4.159  -3.347   1.242
  360   1HB   PRO  51          1HB       PRO  51   4.321  -5.971   1.987
  361   2HB   PRO  51          2HB       PRO  51   2.886  -4.994   2.225
  362   1HG   PRO  51          1HG       PRO  51   3.379  -7.103   0.213
  363   2HG   PRO  51          2HG       PRO  51   1.852  -6.426   0.742
  364   1HD   PRO  51          1HD       PRO  51   3.229  -5.848  -1.706
  365   2HD   PRO  51          2HD       PRO  51   1.762  -5.086  -1.124
  366    H    LEU  52           H        LEU  52   6.183  -2.716   1.600
  367    HA   LEU  52           HA       LEU  52   8.241  -3.121   0.002
  368   1HB   LEU  52          1HB       LEU  52   8.511  -1.687   1.816
  369   2HB   LEU  52          2HB       LEU  52   8.119  -2.926   2.992
  370    HG   LEU  52           HG       LEU  52  10.629  -2.998   1.303
  371   1HD1  LEU  52          1HD1      LEU  52  10.108  -1.645   3.945
  372   2HD1  LEU  52          2HD1      LEU  52  11.728  -2.234   3.500
  373   3HD1  LEU  52          3HD1      LEU  52  10.918  -1.011   2.492
  374   1HD2  LEU  52          1HD2      LEU  52   9.400  -4.857   3.096
  375   2HD2  LEU  52          2HD2      LEU  52  10.925  -5.007   2.189
  376   3HD2  LEU  52          3HD2      LEU  52  10.924  -4.285   3.816
  377    H    GLN  53           H        GLN  53   9.918  -4.625  -0.389
  378    HA   GLN  53           HA       GLN  53   9.128  -7.261  -0.328
  379   1HB   GLN  53          1HB       GLN  53  11.518  -5.723  -1.108
  380   2HB   GLN  53          2HB       GLN  53  11.921  -7.332  -0.542
  381   1HG   GLN  53          1HG       GLN  53  11.458  -7.900  -2.726
  382   2HG   GLN  53          2HG       GLN  53   9.815  -7.987  -2.122
  383   2HE2  GLN  53          2HE2      GLN  53   9.003  -5.477  -1.827
  384   1HE2  GLN  53          1HE2      GLN  53   9.008  -4.596  -3.318
  385    H    GLU  54           H        GLU  54   8.459  -7.726   1.876
  386    HA   GLU  54           HA       GLU  54   9.860  -7.334   4.121
  387   1HB   GLU  54          1HB       GLU  54   8.491  -8.973   5.121
  388   2HB   GLU  54          2HB       GLU  54   7.552  -8.466   3.731
  389   1HG   GLU  54          1HG       GLU  54   8.659 -10.419   2.443
  390   2HG   GLU  54          2HG       GLU  54   9.254 -10.981   3.993
  391    H    ALA  55           H        ALA  55  11.915  -7.819   4.747
  392    HA   ALA  55           HA       ALA  55  13.005 -10.394   3.861
  393   1HB   ALA  55          1HB       ALA  55  14.870  -8.077   4.090
  394   2HB   ALA  55          2HB       ALA  55  14.874  -9.441   2.946
  395   3HB   ALA  55          3HB       ALA  55  13.767  -8.071   2.693
  396    H    GLU  56           H        GLU  56  13.936  -7.528   5.903
  397    HA   GLU  56           HA       GLU  56  15.375  -8.799   7.742
  398   1HB   GLU  56          1HB       GLU  56  13.948  -6.303   7.563
  399   2HB   GLU  56          2HB       GLU  56  13.707  -6.941   9.178
  400   1HG   GLU  56          1HG       GLU  56  16.481  -7.341   8.431
  401   2HG   GLU  56          2HG       GLU  56  16.053  -5.673   8.111
  402    H    CYS  57           H        CYS  57  15.068 -10.468   9.152
  403    HA   CYS  57           HA       CYS  57  12.422 -11.484   9.497
  404   1HB   CYS  57          1HB       CYS  57  13.523 -13.251  10.806
  405   2HB   CYS  57          2HB       CYS  57  14.201 -13.050   9.202
  406    H    THR  58           H        THR  58  11.643 -12.024  11.818
  407    HA   THR  58           HA       THR  58  11.269  -9.723  13.271
  408    HB   THR  58           HB       THR  58  11.152 -12.695  13.968
  409    HG1  THR  58           HG1      THR  58   9.718 -11.474  12.361
  410   1HG2  THR  58          1HG2      THR  58  10.015 -10.321  15.538
  411   2HG2  THR  58          2HG2      THR  58   9.740 -12.043  15.895
  412   3HG2  THR  58          3HG2      THR  58  11.364 -11.342  16.093
  413    H    PHE  59           H        PHE  59  11.956  -9.183  15.513
  414    HA   PHE  59           HA       PHE  59  13.563  -8.525  16.873
  415   1HB   PHE  59          1HB       PHE  59  13.559 -11.332  16.728
  416   2HB   PHE  59          2HB       PHE  59  15.243 -10.967  16.411
  417    HD1  PHE  59           HD1      PHE  59  12.586  -9.837  18.791
  418    HD2  PHE  59           HD2      PHE  59  16.630 -10.997  18.241
  419    HE1  PHE  59           HE1      PHE  59  12.994  -9.584  21.255
  420    HE2  PHE  59           HE2      PHE  59  17.038 -10.745  20.705
  421    HZ   PHE  59           HZ       PHE  59  15.215 -10.041  22.182

  No H/Q in entry =         421
  Start of MODEL    7
    1    H    GLU   1           H        GLU   1   8.153 -12.911  16.855
    2    HA   GLU   1           HA       GLU   1   6.771 -14.726  17.789
    3   1HB   GLU   1          1HB       GLU   1   8.386 -13.903  20.219
    4   2HB   GLU   1          2HB       GLU   1   6.795 -14.611  20.412
    5   1HG   GLU   1          1HG       GLU   1   8.317 -16.171  18.481
    6   2HG   GLU   1          2HG       GLU   1   9.264 -15.972  19.942
    7    H    GLU   2           H        GLU   2   6.112 -12.470  16.587
    8    HA   GLU   2           HA       GLU   2   4.060 -11.452  18.214
    9   1HB   GLU   2          1HB       GLU   2   6.577 -10.012  18.251
   10   2HB   GLU   2          2HB       GLU   2   5.365  -9.020  17.464
   11   1HG   GLU   2          1HG       GLU   2   4.026  -8.877  19.374
   12   2HG   GLU   2          2HG       GLU   2   4.542 -10.435  19.989
   13    H    TYR   3           H        TYR   3   6.185 -10.885  15.339
   14    HA   TYR   3           HA       TYR   3   5.718 -10.475  13.212
   15   1HB   TYR   3          1HB       TYR   3   4.128 -12.538  13.984
   16   2HB   TYR   3          2HB       TYR   3   2.846 -11.368  13.742
   17    HD1  TYR   3           HD1      TYR   3   5.981 -12.053  11.791
   18    HD2  TYR   3           HD2      TYR   3   1.705 -11.930  11.797
   19    HE1  TYR   3           HE1      TYR   3   5.956 -12.588   9.306
   20    HE2  TYR   3           HE2      TYR   3   1.693 -12.466   9.312
   21    HH   TYR   3           HH       TYR   3   4.585 -12.385   7.438
   22    H    VAL   4           H        VAL   4   3.790  -9.461  11.680
   23    HA   VAL   4           HA       VAL   4   2.582  -7.255  13.172
   24    HB   VAL   4           HB       VAL   4   4.882  -6.758  12.064
   25   1HG1  VAL   4          1HG1      VAL   4   4.155  -7.829   9.875
   26   2HG1  VAL   4          2HG1      VAL   4   3.125  -6.399   9.623
   27   3HG1  VAL   4          3HG1      VAL   4   4.890  -6.212   9.751
   28   1HG2  VAL   4          1HG2      VAL   4   2.496  -5.215  12.498
   29   2HG2  VAL   4          2HG2      VAL   4   4.198  -4.710  12.619
   30   3HG2  VAL   4          3HG2      VAL   4   3.344  -4.593  11.063
   31    H    GLY   5           H        GLY   5   1.481  -5.916  10.942
   32   1HA   GLY   5          1HA       GLY   5  -0.754  -7.571  10.396
   33   2HA   GLY   5          2HA       GLY   5   0.302  -7.509   8.999
   34    H    LEU   6           H        LEU   6  -0.012  -4.846  11.382
   35    HA   LEU   6           HA       LEU   6  -1.928  -3.406   9.871
   36   1HB   LEU   6          1HB       LEU   6  -1.732  -1.763  11.493
   37   2HB   LEU   6          2HB       LEU   6  -1.463  -3.267  12.351
   38    HG   LEU   6           HG       LEU   6   0.090  -1.697  13.204
   39   1HD1  LEU   6          1HD1      LEU   6   0.984  -3.954  12.848
   40   2HD1  LEU   6          2HD1      LEU   6   1.584  -3.463  11.245
   41   3HD1  LEU   6          3HD1      LEU   6   2.250  -2.711  12.714
   42   1HD2  LEU   6          1HD2      LEU   6  -0.123  -0.274  11.004
   43   2HD2  LEU   6          2HD2      LEU   6   1.323  -0.154  12.036
   44   3HD2  LEU   6          3HD2      LEU   6   1.366  -1.139  10.554
   45    H    SER   7           H        SER   7  -1.566  -1.348   8.741
   46    HA   SER   7           HA       SER   7   0.523  -1.612   6.914
   47   1HB   SER   7          1HB       SER   7  -0.263   0.625   6.087
   48   2HB   SER   7          2HB       SER   7  -1.558  -0.542   6.267
   49    HG   SER   7           HG       SER   7  -1.226   1.895   7.509
   50    H    ALA   8           H        ALA   8   2.662  -1.169   7.289
   51    HA   ALA   8           HA       ALA   8   3.581   1.292   8.133
   52   1HB   ALA   8          1HB       ALA   8   3.321  -0.772  10.345
   53   2HB   ALA   8          2HB       ALA   8   2.736   0.909  10.333
   54   3HB   ALA   8          3HB       ALA   8   4.482   0.576  10.419
   55    H    ASN   9           H        ASN   9   4.975  -1.640   9.595
   56    HA   ASN   9           HA       ASN   9   7.405  -1.369   8.525
   57   1HB   ASN   9          1HB       ASN   9   6.339  -3.170  10.193
   58   2HB   ASN   9          2HB       ASN   9   6.232  -4.162   8.752
   59   2HD2  ASN   9          2HD2      ASN   9   7.971  -3.881  11.339
   60   1HD2  ASN   9          1HD2      ASN   9   9.584  -4.183  10.786
   61    H    GLN  10           H        GLN  10   4.624  -3.315   7.209
   62    HA   GLN  10           HA       GLN  10   6.026  -4.161   4.940
   63   1HB   GLN  10          1HB       GLN  10   3.653  -4.713   4.108
   64   2HB   GLN  10          2HB       GLN  10   4.163  -5.482   5.598
   65   1HG   GLN  10          1HG       GLN  10   2.987  -2.911   6.243
   66   2HG   GLN  10          2HG       GLN  10   1.894  -3.772   5.179
   67   2HE2  GLN  10          2HE2      GLN  10   1.040  -5.762   5.778
   68   1HE2  GLN  10          1HE2      GLN  10   1.015  -6.322   7.416
   69    H    CYS  11           H        CYS  11   4.195  -1.247   5.774
   70    HA   CYS  11           HA       CYS  11   4.423  -0.377   2.988
   71   1HB   CYS  11          1HB       CYS  11   2.743   1.144   4.908
   72   2HB   CYS  11          2HB       CYS  11   2.526   0.862   3.192
   73    H    ALA  12           H        ALA  12   6.766  -0.432   4.528
   74    HA   ALA  12           HA       ALA  12   7.082   2.388   5.302
   75   1HB   ALA  12          1HB       ALA  12   9.208   0.822   6.342
   76   2HB   ALA  12          2HB       ALA  12   7.875   1.584   7.243
   77   3HB   ALA  12          3HB       ALA  12   7.711  -0.089   6.658
   78    H    VAL  13           H        VAL  13   7.150   2.102   2.655
   79    HA   VAL  13           HA       VAL  13   9.884   1.467   1.879
   80    HB   VAL  13           HB       VAL  13   7.962   2.427  -0.133
   81   1HG1  VAL  13          1HG1      VAL  13  10.197   0.552   0.126
   82   2HG1  VAL  13          2HG1      VAL  13   8.843  -0.110  -0.822
   83   3HG1  VAL  13          3HG1      VAL  13   9.596   1.430  -1.301
   84   1HG2  VAL  13          1HG2      VAL  13   7.322   0.108   1.666
   85   2HG2  VAL  13          2HG2      VAL  13   6.242   1.328   0.949
   86   3HG2  VAL  13          3HG2      VAL  13   6.900   0.019  -0.061
   87    HA   PRO  14           HA       PRO  14  11.001   5.636   1.689
   88   1HB   PRO  14          1HB       PRO  14  13.037   5.573  -0.133
   89   2HB   PRO  14          2HB       PRO  14  13.238   5.108   1.545
   90   1HG   PRO  14          1HG       PRO  14  13.064   3.382  -0.849
   91   2HG   PRO  14          2HG       PRO  14  13.678   2.990   0.745
   92   1HD   PRO  14          1HD       PRO  14  11.140   2.226  -0.352
   93   2HD   PRO  14          2HD       PRO  14  11.706   1.934   1.280
   94    H    ALA  15           H        ALA  15   9.227   4.225  -0.595
   95    HA   ALA  15           HA       ALA  15   7.793   5.221  -2.010
   96   1HB   ALA  15          1HB       ALA  15   8.773   7.443  -0.685
   97   2HB   ALA  15          2HB       ALA  15   7.504   7.464  -1.933
   98   3HB   ALA  15          3HB       ALA  15   9.197   7.788  -2.379
   99    H    LYS  16           H        LYS  16  11.303   5.299  -2.277
  100    HA   LYS  16           HA       LYS  16  11.181   5.474  -5.169
  101   1HB   LYS  16          1HB       LYS  16  13.601   5.554  -5.058
  102   2HB   LYS  16          2HB       LYS  16  12.909   6.719  -3.948
  103   1HG   LYS  16          1HG       LYS  16  14.599   5.675  -2.656
  104   2HG   LYS  16          2HG       LYS  16  13.134   4.871  -2.128
  105   1HD   LYS  16          1HD       LYS  16  13.781   2.852  -2.992
  106   2HD   LYS  16          2HD       LYS  16  14.358   3.567  -4.484
  107   1HE   LYS  16          1HE       LYS  16  16.511   3.990  -3.619
  108   2HE   LYS  16          2HE       LYS  16  15.952   4.037  -1.958
  109   1HZ   LYS  16          1HZ       LYS  16  15.398   1.589  -2.389
  110   2HZ   LYS  16          2HZ       LYS  16  16.444   1.709  -3.637
  111   3HZ   LYS  16          3HZ       LYS  16  16.953   2.005  -2.114
  112    H    ASP  17           H        ASP  17  10.335   3.150  -3.066
  113    HA   ASP  17           HA       ASP  17  11.456   1.090  -4.793
  114   1HB   ASP  17          1HB       ASP  17  11.832   1.416  -1.972
  115   2HB   ASP  17          2HB       ASP  17  10.741   0.059  -2.166
  116    H    ARG  18           H        ARG  18   8.837   2.742  -4.595
  117    HA   ARG  18           HA       ARG  18   6.907   0.922  -3.634
  118   1HB   ARG  18          1HB       ARG  18   6.385   3.249  -5.535
  119   2HB   ARG  18          2HB       ARG  18   5.285   2.570  -4.353
  120   1HG   ARG  18          1HG       ARG  18   7.920   3.707  -3.397
  121   2HG   ARG  18          2HG       ARG  18   6.635   4.815  -3.834
  122   1HD   ARG  18          1HD       ARG  18   5.309   2.902  -2.264
  123   2HD   ARG  18          2HD       ARG  18   6.864   3.054  -1.471
  124    HE   ARG  18           HE       ARG  18   5.483   5.585  -2.178
  125   1HH1  ARG  18          1HH1      ARG  18   6.324   3.236   0.304
  126   2HH1  ARG  18          2HH1      ARG  18   5.983   4.312   1.618
  127   1HH2  ARG  18          1HH2      ARG  18   5.033   7.004  -0.445
  128   2HH2  ARG  18          2HH2      ARG  18   5.244   6.470   1.189
  129    H    VAL  19           H        VAL  19   5.626  -0.557  -4.810
  130    HA   VAL  19           HA       VAL  19   6.530  -1.038  -7.540
  131    HB   VAL  19           HB       VAL  19   4.927  -2.687  -5.576
  132   1HG1  VAL  19          1HG1      VAL  19   5.580  -3.095  -8.471
  133   2HG1  VAL  19          2HG1      VAL  19   5.596  -4.506  -7.386
  134   3HG1  VAL  19          3HG1      VAL  19   4.117  -3.530  -7.554
  135   1HG2  VAL  19          1HG2      VAL  19   7.816  -2.526  -6.312
  136   2HG2  VAL  19          2HG2      VAL  19   7.048  -2.886  -4.747
  137   3HG2  VAL  19          3HG2      VAL  19   7.130  -4.141  -6.007
  138    H    ASP  20           H        ASP  20   4.218   0.794  -5.974
  139    HA   ASP  20           HA       ASP  20   2.281   1.626  -6.496
  140   1HB   ASP  20          1HB       ASP  20   3.336   2.629  -8.386
  141   2HB   ASP  20          2HB       ASP  20   3.475   1.102  -9.234
  142    H    CYS  21           H        CYS  21   0.667   0.189  -5.735
  143    HA   CYS  21           HA       CYS  21   0.194  -2.305  -6.962
  144   1HB   CYS  21          1HB       CYS  21  -0.386  -1.225  -4.542
  145   2HB   CYS  21          2HB       CYS  21  -1.952  -1.098  -5.319
  146    H    GLY  22           H        GLY  22  -0.785   1.013  -7.544
  147   1HA   GLY  22          1HA       GLY  22  -2.088   0.378  -9.967
  148   2HA   GLY  22          2HA       GLY  22  -2.039   1.936  -9.168
  149    H    TYR  23           H        TYR  23  -3.728   2.573  -7.720
  150    HA   TYR  23           HA       TYR  23  -6.139   0.943  -8.031
  151   1HB   TYR  23          1HB       TYR  23  -4.622   1.875  -5.570
  152   2HB   TYR  23          2HB       TYR  23  -6.370   1.958  -5.478
  153    HD1  TYR  23           HD1      TYR  23  -7.617  -0.285  -6.259
  154    HD2  TYR  23           HD2      TYR  23  -3.579  -0.076  -4.861
  155    HE1  TYR  23           HE1      TYR  23  -7.695  -2.751  -5.642
  156    HE2  TYR  23           HE2      TYR  23  -3.671  -2.541  -4.249
  157    HH   TYR  23           HH       TYR  23  -5.815  -4.610  -5.421
  158    HA   PRO  24           HA       PRO  24  -7.903   4.823  -8.784
  159   1HB   PRO  24          1HB       PRO  24 -10.554   4.259  -8.435
  160   2HB   PRO  24          2HB       PRO  24  -9.678   3.876  -9.903
  161   1HG   PRO  24          1HG       PRO  24 -10.559   2.059  -7.745
  162   2HG   PRO  24          2HG       PRO  24 -10.076   1.665  -9.382
  163   1HD   PRO  24          1HD       PRO  24  -8.513   1.321  -7.003
  164   2HD   PRO  24          2HD       PRO  24  -7.990   1.036  -8.651
  165    H    HIS  25           H        HIS  25 -10.103   3.646  -6.306
  166    HA   HIS  25           HA       HIS  25  -9.716   6.163  -4.947
  167   1HB   HIS  25          1HB       HIS  25 -11.639   5.551  -3.648
  168   2HB   HIS  25          2HB       HIS  25 -11.979   5.262  -5.342
  169    HD1  HIS  25           HD1      HIS  25 -13.765   3.785  -3.479
  170    HD2  HIS  25           HD2      HIS  25 -10.049   2.235  -4.655
  171    HE1  HIS  25           HE1      HIS  25 -13.896   1.263  -3.116
  172    HE2  HIS  25           HE2      HIS  25 -11.603   0.360  -3.908
  173    H    VAL  26           H        VAL  26  -7.516   5.910  -4.226
  174    HA   VAL  26           HA       VAL  26  -7.056   3.714  -2.366
  175    HB   VAL  26           HB       VAL  26  -4.714   4.547  -2.448
  176   1HG1  VAL  26          1HG1      VAL  26  -6.006   3.884  -5.116
  177   2HG1  VAL  26          2HG1      VAL  26  -4.266   3.770  -4.756
  178   3HG1  VAL  26          3HG1      VAL  26  -5.422   2.723  -3.898
  179   1HG2  VAL  26          1HG2      VAL  26  -5.552   6.924  -3.151
  180   2HG2  VAL  26          2HG2      VAL  26  -4.009   6.306  -3.789
  181   3HG2  VAL  26          3HG2      VAL  26  -5.472   6.262  -4.801
  182    H    THR  27           H        THR  27  -6.861   3.986  -0.164
  183    HA   THR  27           HA       THR  27  -6.604   6.666   0.906
  184    HB   THR  27           HB       THR  27  -8.738   6.771   1.908
  185    HG1  THR  27           HG1      THR  27  -9.914   4.710   2.219
  186   1HG2  THR  27          1HG2      THR  27  -9.160   5.054  -0.594
  187   2HG2  THR  27          2HG2      THR  27 -10.473   5.859   0.299
  188   3HG2  THR  27          3HG2      THR  27  -9.221   6.831  -0.512
  189    HA   PRO  28           HA       PRO  28  -4.702   4.580   4.143
  190   1HB   PRO  28          1HB       PRO  28  -5.420   5.935   6.405
  191   2HB   PRO  28          2HB       PRO  28  -4.205   6.517   5.283
  192   1HG   PRO  28          1HG       PRO  28  -6.983   7.457   5.659
  193   2HG   PRO  28          2HG       PRO  28  -5.645   8.272   4.874
  194   1HD   PRO  28          1HD       PRO  28  -7.844   6.954   3.588
  195   2HD   PRO  28          2HD       PRO  28  -6.447   7.668   2.806
  196    H    LYS  29           H        LYS  29  -7.032   3.276   3.260
  197    HA   LYS  29           HA       LYS  29  -7.296   1.426   5.311
  198   1HB   LYS  29          1HB       LYS  29  -8.576   3.522   6.236
  199   2HB   LYS  29          2HB       LYS  29  -9.840   3.017   5.132
  200   1HG   LYS  29          1HG       LYS  29  -8.924   0.651   6.475
  201   2HG   LYS  29          2HG       LYS  29  -9.123   1.883   7.705
  202   1HD   LYS  29          1HD       LYS  29 -11.398   2.202   6.078
  203   2HD   LYS  29          2HD       LYS  29 -11.174   0.465   6.133
  204   1HE   LYS  29          1HE       LYS  29 -11.327   0.401   8.527
  205   2HE   LYS  29          2HE       LYS  29 -11.060   2.126   8.679
  206   1HZ   LYS  29          1HZ       LYS  29 -13.360   1.250   7.148
  207   2HZ   LYS  29          2HZ       LYS  29 -13.434   1.115   8.774
  208   3HZ   LYS  29          3HZ       LYS  29 -13.181   2.575   8.086
  209    H    GLU  30           H        GLU  30  -8.943   3.118   2.582
  210    HA   GLU  30           HA       GLU  30 -10.228   0.757   1.732
  211   1HB   GLU  30          1HB       GLU  30 -11.165   2.958   1.213
  212   2HB   GLU  30          2HB       GLU  30  -9.716   3.423   0.344
  213   1HG   GLU  30          1HG       GLU  30 -10.397   2.367  -1.555
  214   2HG   GLU  30          2HG       GLU  30 -10.782   0.893  -0.689
  215    H    CYS  31           H        CYS  31  -7.198   2.494   0.869
  216    HA   CYS  31           HA       CYS  31  -6.630   0.858  -1.357
  217   1HB   CYS  31          1HB       CYS  31  -5.526   2.847  -1.495
  218   2HB   CYS  31          2HB       CYS  31  -5.197   2.928   0.225
  219    H    ASN  32           H        ASN  32  -6.138   0.696   2.163
  220    HA   ASN  32           HA       ASN  32  -4.316  -1.511   1.867
  221   1HB   ASN  32          1HB       ASN  32  -3.663  -0.986   4.009
  222   2HB   ASN  32          2HB       ASN  32  -4.576   0.491   3.774
  223   2HD2  ASN  32          2HD2      ASN  32  -4.086  -2.006   5.799
  224   1HD2  ASN  32          1HD2      ASN  32  -5.597  -2.081   6.642
  225    H    ASN  33           H        ASN  33  -7.583  -1.098   1.567
  226    HA   ASN  33           HA       ASN  33  -8.285  -3.417   3.161
  227   1HB   ASN  33          1HB       ASN  33  -9.819  -1.576   3.497
  228   2HB   ASN  33          2HB       ASN  33  -9.905  -1.230   1.781
  229   2HD2  ASN  33          2HD2      ASN  33 -10.881  -3.364   4.361
  230   1HD2  ASN  33          1HD2      ASN  33 -12.179  -4.169   3.544
  231    H    ARG  34           H        ARG  34  -8.268  -2.014  -0.164
  232    HA   ARG  34           HA       ARG  34  -9.637  -4.028  -1.428
  233   1HB   ARG  34          1HB       ARG  34  -8.555  -1.659  -2.215
  234   2HB   ARG  34          2HB       ARG  34  -7.329  -2.729  -2.865
  235   1HG   ARG  34          1HG       ARG  34 -10.321  -3.008  -3.416
  236   2HG   ARG  34          2HG       ARG  34  -9.189  -2.217  -4.495
  237   1HD   ARG  34          1HD       ARG  34  -7.852  -4.536  -4.254
  238   2HD   ARG  34          2HD       ARG  34  -9.436  -5.152  -3.823
  239    HE   ARG  34           HE       ARG  34  -9.706  -3.548  -6.178
  240   1HH1  ARG  34          1HH1      ARG  34  -8.323  -6.617  -5.152
  241   2HH1  ARG  34          2HH1      ARG  34  -8.481  -7.355  -6.711
  242   1HH2  ARG  34          1HH2      ARG  34  -9.915  -4.522  -8.235
  243   2HH2  ARG  34          2HH2      ARG  34  -9.393  -6.155  -8.476
  244    H    GLY  35           H        GLY  35  -6.317  -3.839  -0.212
  245   1HA   GLY  35          1HA       GLY  35  -5.734  -6.468  -1.443
  246   2HA   GLY  35          2HA       GLY  35  -5.365  -6.078   0.225
  247    H    CYS  36           H        CYS  36  -3.881  -4.138   0.617
  248    HA   CYS  36           HA       CYS  36  -1.493  -4.487  -0.613
  249   1HB   CYS  36          1HB       CYS  36  -3.190  -3.147  -2.411
  250   2HB   CYS  36          2HB       CYS  36  -2.120  -1.915  -1.773
  251    H    CYS  37           H        CYS  37  -0.595  -1.677  -0.618
  252    HA   CYS  37           HA       CYS  37  -1.223  -0.986   2.160
  253   1HB   CYS  37          1HB       CYS  37   1.397  -1.214   0.751
  254   2HB   CYS  37          2HB       CYS  37   1.211   0.066   1.934
  255    H    PHE  38           H        PHE  38  -1.246   1.350   2.605
  256    HA   PHE  38           HA       PHE  38  -1.591   2.921   0.148
  257   1HB   PHE  38          1HB       PHE  38  -3.688   2.585   1.429
  258   2HB   PHE  38          2HB       PHE  38  -2.882   2.971   2.936
  259    HD1  PHE  38           HD1      PHE  38  -4.095   4.405  -0.244
  260    HD2  PHE  38           HD2      PHE  38  -2.657   5.219   3.664
  261    HE1  PHE  38           HE1      PHE  38  -4.779   6.807  -0.493
  262    HE2  PHE  38           HE2      PHE  38  -3.341   7.621   3.416
  263    HZ   PHE  38           HZ       PHE  38  -4.394   8.386   1.340
  264    H    ASP  39           H        ASP  39  -1.392   5.420   0.719
  265    HA   ASP  39           HA       ASP  39   0.187   6.195   2.832
  266   1HB   ASP  39          1HB       ASP  39   1.981   4.876   1.763
  267   2HB   ASP  39          2HB       ASP  39   1.707   5.686   0.233
  268    H    SER  40           H        SER  40   0.425   8.537   2.762
  269    HA   SER  40           HA       SER  40  -0.411   9.761   0.261
  270   1HB   SER  40          1HB       SER  40  -1.905  11.294   1.435
  271   2HB   SER  40          2HB       SER  40  -2.370   9.645   1.806
  272    HG   SER  40           HG       SER  40  -0.484  10.627   3.606
  273    H    ARG  41           H        ARG  41   2.153   9.298   2.007
  274    HA   ARG  41           HA       ARG  41   2.906  11.658   3.151
  275   1HB   ARG  41          1HB       ARG  41   4.063   9.211   2.853
  276   2HB   ARG  41          2HB       ARG  41   4.991  10.085   1.650
  277   1HG   ARG  41          1HG       ARG  41   4.703  11.589   4.182
  278   2HG   ARG  41          2HG       ARG  41   5.504  10.045   4.400
  279   1HD   ARG  41          1HD       ARG  41   7.390  11.176   3.751
  280   2HD   ARG  41          2HD       ARG  41   6.776  10.940   2.126
  281    HE   ARG  41           HE       ARG  41   5.631  13.311   3.362
  282   1HH1  ARG  41          1HH1      ARG  41   8.487  12.088   1.711
  283   2HH1  ARG  41          2HH1      ARG  41   8.973  13.645   1.127
  284   1HH2  ARG  41          1HH2      ARG  41   6.271  15.365   2.592
  285   2HH2  ARG  41          2HH2      ARG  41   7.704  15.521   1.632
  286    H    ILE  42           H        ILE  42   3.432  10.453  -0.237
  287    HA   ILE  42           HA       ILE  42   3.548  13.217  -1.119
  288    HB   ILE  42           HB       ILE  42   5.572  12.147  -2.598
  289   1HG1  ILE  42          1HG1      ILE  42   7.169  11.142  -0.997
  290   2HG1  ILE  42          2HG1      ILE  42   5.919  11.111   0.231
  291   1HG2  ILE  42          1HG2      ILE  42   5.364  14.397  -1.498
  292   2HG2  ILE  42          2HG2      ILE  42   5.971  13.648  -0.001
  293   3HG2  ILE  42          3HG2      ILE  42   6.993  13.681  -1.458
  294   1HD1  ILE  42          1HD1      ILE  42   5.080   9.899  -2.344
  295   2HD1  ILE  42          2HD1      ILE  42   6.429   9.057  -1.544
  296   3HD1  ILE  42          3HD1      ILE  42   4.887   9.288  -0.684
  297    HA   PRO  43           HA       PRO  43   1.146  11.355  -4.203
  298   1HB   PRO  43          1HB       PRO  43   0.858  13.497  -5.876
  299   2HB   PRO  43          2HB       PRO  43  -0.128  13.258  -4.447
  300   1HG   PRO  43          1HG       PRO  43   2.102  15.154  -4.865
  301   2HG   PRO  43          2HG       PRO  43   0.852  15.183  -3.638
  302   1HD   PRO  43          1HD       PRO  43   3.579  14.365  -3.290
  303   2HD   PRO  43          2HD       PRO  43   2.300  14.286  -2.094
  304    H    GLY  44           H        GLY  44   4.001  13.149  -5.148
  305   1HA   GLY  44          1HA       GLY  44   5.668  12.496  -6.537
  306   2HA   GLY  44          2HA       GLY  44   4.371  12.449  -7.714
  307    H    VAL  45           H        VAL  45   4.529  10.270  -4.874
  308    HA   VAL  45           HA       VAL  45   5.366   8.096  -6.646
  309    HB   VAL  45           HB       VAL  45   6.318   7.103  -4.852
  310   1HG1  VAL  45          1HG1      VAL  45   6.197  10.004  -3.961
  311   2HG1  VAL  45          2HG1      VAL  45   7.317   8.783  -3.311
  312   3HG1  VAL  45          3HG1      VAL  45   7.415   9.258  -5.024
  313   1HG2  VAL  45          1HG2      VAL  45   4.132   8.349  -3.170
  314   2HG2  VAL  45          2HG2      VAL  45   4.416   6.629  -3.526
  315   3HG2  VAL  45          3HG2      VAL  45   5.531   7.512  -2.456
  316    HA   PRO  46           HA       PRO  46   1.501   6.176  -6.360
  317   1HB   PRO  46          1HB       PRO  46   2.032   3.523  -5.975
  318   2HB   PRO  46          2HB       PRO  46   2.179   4.314  -7.532
  319   1HG   PRO  46          1HG       PRO  46   4.317   3.460  -5.677
  320   2HG   PRO  46          2HG       PRO  46   4.434   3.850  -7.381
  321   1HD   PRO  46          1HD       PRO  46   5.239   5.506  -5.182
  322   2HD   PRO  46          2HD       PRO  46   5.248   5.941  -6.880
  323    H    TRP  47           H        TRP  47   0.563   7.265  -4.622
  324    HA   TRP  47           HA       TRP  47   0.950   6.966  -2.035
  325   1HB   TRP  47          1HB       TRP  47  -1.537   7.243  -3.647
  326   2HB   TRP  47          2HB       TRP  47  -1.716   6.897  -1.939
  327    HD1  TRP  47           HD1      TRP  47   1.173   9.168  -3.094
  328    HE1  TRP  47           HE1      TRP  47   0.840  11.646  -2.250
  329    HE3  TRP  47           HE3      TRP  47  -3.533   8.480  -1.297
  330    HZ2  TRP  47           HZ2      TRP  47  -1.307  13.010  -0.955
  331    HZ3  TRP  47           HZ3      TRP  47  -4.678  10.435  -0.258
  332    HH2  TRP  47           HH2      TRP  47  -3.640  12.641  -0.072
  333    H    CYS  48           H        CYS  48  -1.012   4.650  -4.040
  334    HA   CYS  48           HA       CYS  48  -0.927   2.774  -1.829
  335   1HB   CYS  48          1HB       CYS  48  -3.016   3.343  -3.227
  336   2HB   CYS  48          2HB       CYS  48  -2.300   2.342  -4.474
  337    H    PHE  49           H        PHE  49   0.872   1.472  -1.734
  338    HA   PHE  49           HA       PHE  49   1.869   0.426  -4.282
  339   1HB   PHE  49          1HB       PHE  49   4.177   0.639  -3.071
  340   2HB   PHE  49          2HB       PHE  49   3.460   2.138  -3.627
  341    HD1  PHE  49           HD1      PHE  49   3.616  -0.031  -0.597
  342    HD2  PHE  49           HD2      PHE  49   3.245   3.904  -2.142
  343    HE1  PHE  49           HE1      PHE  49   3.750   0.896   1.732
  344    HE2  PHE  49           HE2      PHE  49   3.379   4.831   0.186
  345    HZ   PHE  49           HZ       PHE  49   3.630   3.316   2.096
  346    H    LYS  50           H        LYS  50   3.204  -1.597  -3.987
  347    HA   LYS  50           HA       LYS  50   1.811  -3.397  -2.337
  348   1HB   LYS  50          1HB       LYS  50   4.478  -3.802  -3.720
  349   2HB   LYS  50          2HB       LYS  50   3.370  -5.047  -3.181
  350   1HG   LYS  50          1HG       LYS  50   1.608  -3.893  -4.727
  351   2HG   LYS  50          2HG       LYS  50   2.966  -3.034  -5.427
  352   1HD   LYS  50          1HD       LYS  50   2.860  -4.902  -6.832
  353   2HD   LYS  50          2HD       LYS  50   4.044  -5.442  -5.659
  354   1HE   LYS  50          1HE       LYS  50   2.493  -6.853  -4.540
  355   2HE   LYS  50          2HE       LYS  50   1.102  -5.990  -5.166
  356   1HZ   LYS  50          1HZ       LYS  50   1.776  -6.804  -7.388
  357   2HZ   LYS  50          2HZ       LYS  50   2.905  -7.746  -6.676
  358   3HZ   LYS  50          3HZ       LYS  50   1.321  -7.987  -6.359
  359    HA   PRO  51           HA       PRO  51   4.093  -3.286   1.324
  360   1HB   PRO  51          1HB       PRO  51   4.150  -5.890   2.150
  361   2HB   PRO  51          2HB       PRO  51   2.749  -4.854   2.342
  362   1HG   PRO  51          1HG       PRO  51   3.185  -7.041   0.401
  363   2HG   PRO  51          2HG       PRO  51   1.678  -6.292   0.891
  364   1HD   PRO  51          1HD       PRO  51   3.102  -5.840  -1.558
  365   2HD   PRO  51          2HD       PRO  51   1.658  -5.008  -1.016
  366    H    LEU  52           H        LEU  52   6.130  -2.625   1.513
  367    HA   LEU  52           HA       LEU  52   8.171  -3.265  -0.024
  368   1HB   LEU  52          1HB       LEU  52   8.333  -1.638   1.718
  369   2HB   LEU  52          2HB       LEU  52   8.187  -2.861   2.965
  370    HG   LEU  52           HG       LEU  52  10.515  -2.608   1.040
  371   1HD1  LEU  52          1HD1      LEU  52  10.265  -0.736   2.706
  372   2HD1  LEU  52          2HD1      LEU  52  10.483  -1.947   3.992
  373   3HD1  LEU  52          3HD1      LEU  52  11.784  -1.658   2.812
  374   1HD2  LEU  52          1HD2      LEU  52   9.725  -4.668   3.000
  375   2HD2  LEU  52          2HD2      LEU  52  10.790  -4.772   1.577
  376   3HD2  LEU  52          3HD2      LEU  52  11.415  -4.121   3.112
  377    H    GLN  53           H        GLN  53   9.474  -4.967  -0.553
  378    HA   GLN  53           HA       GLN  53   8.674  -7.507   0.226
  379   1HB   GLN  53          1HB       GLN  53  10.762  -8.246  -0.982
  380   2HB   GLN  53          2HB       GLN  53   9.746  -7.166  -1.916
  381   1HG   GLN  53          1HG       GLN  53  11.684  -5.670  -0.285
  382   2HG   GLN  53          2HG       GLN  53  12.488  -6.819  -1.337
  383   2HE2  GLN  53          2HE2      GLN  53  11.028  -3.808  -1.078
  384   1HE2  GLN  53          1HE2      GLN  53  10.916  -3.375  -2.751
  385    H    GLU  54           H        GLU  54   8.683  -7.307   2.616
  386    HA   GLU  54           HA       GLU  54  10.813  -6.672   4.139
  387   1HB   GLU  54          1HB       GLU  54   9.682  -7.717   5.916
  388   2HB   GLU  54          2HB       GLU  54   8.388  -7.389   4.781
  389   1HG   GLU  54          1HG       GLU  54   8.745  -9.760   3.853
  390   2HG   GLU  54          2HG       GLU  54   9.824 -10.047   5.204
  391    H    ALA  55           H        ALA  55  12.884  -7.415   4.230
  392    HA   ALA  55           HA       ALA  55  13.369 -10.245   4.233
  393   1HB   ALA  55          1HB       ALA  55  13.591 -10.312   1.964
  394   2HB   ALA  55          2HB       ALA  55  15.188  -9.605   2.310
  395   3HB   ALA  55          3HB       ALA  55  13.834  -8.553   1.831
  396    H    GLU  56           H        GLU  56  14.381 -10.122   6.216
  397    HA   GLU  56           HA       GLU  56  15.869  -9.630   7.719
  398   1HB   GLU  56          1HB       GLU  56  17.336 -10.326   5.639
  399   2HB   GLU  56          2HB       GLU  56  17.797  -8.636   5.606
  400   1HG   GLU  56          1HG       GLU  56  18.482  -8.810   8.033
  401   2HG   GLU  56          2HG       GLU  56  18.100 -10.521   7.991
  402    H    CYS  57           H        CYS  57  14.747  -7.905   8.738
  403    HA   CYS  57           HA       CYS  57  16.076  -5.385   8.495
  404   1HB   CYS  57          1HB       CYS  57  14.460  -5.155   6.689
  405   2HB   CYS  57          2HB       CYS  57  13.148  -5.590   7.766
  406    H    THR  58           H        THR  58  12.874  -6.741   9.601
  407    HA   THR  58           HA       THR  58  12.697  -5.410  11.981
  408    HB   THR  58           HB       THR  58  10.829  -6.684  11.162
  409    HG1  THR  58           HG1      THR  58  10.432  -7.561  13.181
  410   1HG2  THR  58          1HG2      THR  58  12.769  -8.583  10.353
  411   2HG2  THR  58          2HG2      THR  58  11.858  -9.395  11.649
  412   3HG2  THR  58          3HG2      THR  58  11.003  -8.764  10.221
  413    H    PHE  59           H        PHE  59  14.543  -8.414  11.270
  414    HA   PHE  59           HA       PHE  59  15.808  -8.032  13.891
  415   1HB   PHE  59          1HB       PHE  59  14.148 -10.069  13.380
  416   2HB   PHE  59          2HB       PHE  59  15.471 -10.691  12.414
  417    HD1  PHE  59           HD1      PHE  59  17.758 -10.946  13.616
  418    HD2  PHE  59           HD2      PHE  59  14.062 -10.531  15.659
  419    HE1  PHE  59           HE1      PHE  59  18.780 -11.962  15.672
  420    HE2  PHE  59           HE2      PHE  59  15.083 -11.547  17.714
  421    HZ   PHE  59           HZ       PHE  59  17.430 -12.251  17.696

  No H/Q in entry =         421
  Start of MODEL    8
    1    H    GLU   1           H        GLU   1  11.897 -14.968  12.514
    2    HA   GLU   1           HA       GLU   1  10.752 -16.882  13.706
    3   1HB   GLU   1          1HB       GLU   1  13.445 -16.941  14.794
    4   2HB   GLU   1          2HB       GLU   1  12.303 -16.654  16.092
    5   1HG   GLU   1          1HG       GLU   1  11.084 -18.667  15.625
    6   2HG   GLU   1          2HG       GLU   1  11.801 -18.837  14.035
    7    H    GLU   2           H        GLU   2  10.224 -14.252  13.072
    8    HA   GLU   2           HA       GLU   2   8.766 -13.401  15.208
    9   1HB   GLU   2          1HB       GLU   2  11.427 -12.824  15.749
   10   2HB   GLU   2          2HB       GLU   2  10.870 -11.320  15.044
   11   1HG   GLU   2          1HG       GLU   2   9.560 -10.819  16.850
   12   2HG   GLU   2          2HG       GLU   2   8.922 -12.447  16.957
   13    H    TYR   3           H        TYR   3   7.539 -13.442  13.108
   14    HA   TYR   3           HA       TYR   3   7.719 -10.804  11.854
   15   1HB   TYR   3          1HB       TYR   3   8.859 -12.366  10.330
   16   2HB   TYR   3          2HB       TYR   3   7.678 -13.623  10.639
   17    HD1  TYR   3           HD1      TYR   3   8.108 -10.287   9.030
   18    HD2  TYR   3           HD2      TYR   3   5.765 -13.859   9.267
   19    HE1  TYR   3           HE1      TYR   3   6.795  -9.571   6.974
   20    HE2  TYR   3           HE2      TYR   3   4.460 -13.131   7.210
   21    HH   TYR   3           HH       TYR   3   5.502 -10.554   5.235
   22    H    VAL   4           H        VAL   4   5.773  -9.809  11.973
   23    HA   VAL   4           HA       VAL   4   3.391 -11.052  11.225
   24    HB   VAL   4           HB       VAL   4   3.589 -12.316  13.262
   25   1HG1  VAL   4          1HG1      VAL   4   5.114 -10.777  14.465
   26   2HG1  VAL   4          2HG1      VAL   4   3.748  -9.670  14.744
   27   3HG1  VAL   4          3HG1      VAL   4   3.737 -11.297  15.466
   28   1HG2  VAL   4          1HG2      VAL   4   1.448 -10.371  12.814
   29   2HG2  VAL   4          2HG2      VAL   4   1.358 -12.104  13.212
   30   3HG2  VAL   4          3HG2      VAL   4   1.556 -10.901  14.509
   31    H    GLY   5           H        GLY   5   4.125  -8.904  10.109
   32   1HA   GLY   5          1HA       GLY   5   4.319  -6.473  10.658
   33   2HA   GLY   5          2HA       GLY   5   2.844  -6.680  11.581
   34    H    LEU   6           H        LEU   6   0.937  -6.249  10.554
   35    HA   LEU   6           HA       LEU   6   0.999  -6.324   7.617
   36   1HB   LEU   6          1HB       LEU   6  -1.467  -6.848   7.818
   37   2HB   LEU   6          2HB       LEU   6  -0.333  -8.134   8.178
   38    HG   LEU   6           HG       LEU   6  -1.317  -6.497  10.472
   39   1HD1  LEU   6          1HD1      LEU   6  -3.172  -7.510   8.652
   40   2HD1  LEU   6          2HD1      LEU   6  -3.116  -8.717   9.959
   41   3HD1  LEU   6          3HD1      LEU   6  -3.474  -7.015  10.335
   42   1HD2  LEU   6          1HD2      LEU   6   0.085  -8.954  10.064
   43   2HD2  LEU   6          2HD2      LEU   6  -0.294  -8.115  11.587
   44   3HD2  LEU   6          3HD2      LEU   6  -1.439  -9.300  10.914
   45    H    SER   7           H        SER   7   1.894  -4.057   8.891
   46    HA   SER   7           HA       SER   7   0.297  -2.131   7.832
   47   1HB   SER   7          1HB       SER   7  -0.539  -1.038  10.022
   48   2HB   SER   7          2HB       SER   7  -1.440  -2.413   9.416
   49    HG   SER   7           HG       SER   7  -1.072  -2.671  11.669
   50    H    ALA   8           H        ALA   8   1.768  -0.506   7.475
   51    HA   ALA   8           HA       ALA   8   3.328   1.033   7.957
   52   1HB   ALA   8          1HB       ALA   8   3.937   1.506  10.119
   53   2HB   ALA   8          2HB       ALA   8   4.188  -0.205  10.538
   54   3HB   ALA   8          3HB       ALA   8   2.539   0.462  10.470
   55    H    ASN   9           H        ASN   9   4.465  -2.036   9.549
   56    HA   ASN   9           HA       ASN   9   7.005  -1.905   8.615
   57   1HB   ASN   9          1HB       ASN   9   6.254  -3.553  10.306
   58   2HB   ASN   9          2HB       ASN   9   5.252  -4.366   9.120
   59   2HD2  ASN   9          2HD2      ASN   9   6.581  -6.180   9.969
   60   1HD2  ASN   9          1HD2      ASN   9   8.069  -6.560   9.170
   61    H    GLN  10           H        GLN  10   4.001  -3.158   7.082
   62    HA   GLN  10           HA       GLN  10   5.395  -4.282   4.879
   63   1HB   GLN  10          1HB       GLN  10   2.957  -4.396   3.950
   64   2HB   GLN  10          2HB       GLN  10   3.368  -5.377   5.342
   65   1HG   GLN  10          1HG       GLN  10   2.197  -3.989   6.847
   66   2HG   GLN  10          2HG       GLN  10   2.318  -2.581   5.810
   67   2HE2  GLN  10          2HE2      GLN  10   1.412  -5.838   4.810
   68   1HE2  GLN  10          1HE2      GLN  10  -0.228  -5.501   4.365
   69    H    CYS  11           H        CYS  11   3.690  -1.224   5.638
   70    HA   CYS  11           HA       CYS  11   4.292  -0.303   2.930
   71   1HB   CYS  11          1HB       CYS  11   2.648   1.403   4.689
   72   2HB   CYS  11          2HB       CYS  11   2.473   1.026   2.986
   73    H    ALA  12           H        ALA  12   6.460  -0.640   4.723
   74    HA   ALA  12           HA       ALA  12   6.943   2.043   5.787
   75   1HB   ALA  12          1HB       ALA  12   9.078   0.311   6.427
   76   2HB   ALA  12          2HB       ALA  12   7.761   0.841   7.502
   77   3HB   ALA  12          3HB       ALA  12   7.604  -0.674   6.582
   78    H    VAL  13           H        VAL  13   6.843   1.795   2.957
   79    HA   VAL  13           HA       VAL  13   9.628   1.604   2.133
   80    HB   VAL  13           HB       VAL  13   7.638   2.366   0.135
   81   1HG1  VAL  13          1HG1      VAL  13  10.018   0.722   0.413
   82   2HG1  VAL  13          2HG1      VAL  13   8.734  -0.145  -0.462
   83   3HG1  VAL  13          3HG1      VAL  13   9.295   1.441  -1.046
   84   1HG2  VAL  13          1HG2      VAL  13   7.145  -0.027   1.894
   85   2HG2  VAL  13          2HG2      VAL  13   5.988   1.157   1.239
   86   3HG2  VAL  13          3HG2      VAL  13   6.705  -0.073   0.170
   87    HA   PRO  14           HA       PRO  14  10.140   5.893   2.074
   88   1HB   PRO  14          1HB       PRO  14  12.097   6.193   0.190
   89   2HB   PRO  14          2HB       PRO  14  12.422   5.696   1.838
   90   1HG   PRO  14          1HG       PRO  14  12.406   4.058  -0.623
   91   2HG   PRO  14          2HG       PRO  14  13.127   3.695   0.932
   92   1HD   PRO  14          1HD       PRO  14  10.684   2.621  -0.120
   93   2HD   PRO  14          2HD       PRO  14  11.345   2.349   1.480
   94    H    ALA  15           H        ALA  15  10.287   4.796  -1.289
   95    HA   ALA  15           HA       ALA  15   7.944   5.695  -2.186
   96   1HB   ALA  15          1HB       ALA  15   9.602   7.971  -1.365
   97   2HB   ALA  15          2HB       ALA  15   7.874   7.915  -1.787
   98   3HB   ALA  15          3HB       ALA  15   9.098   8.075  -3.069
   99    H    LYS  16           H        LYS  16  11.423   5.376  -2.530
  100    HA   LYS  16           HA       LYS  16  11.206   5.286  -5.430
  101   1HB   LYS  16          1HB       LYS  16  13.626   5.237  -5.417
  102   2HB   LYS  16          2HB       LYS  16  13.052   6.552  -4.411
  103   1HG   LYS  16          1HG       LYS  16  14.563   5.661  -2.913
  104   2HG   LYS  16          2HG       LYS  16  13.198   4.644  -2.496
  105   1HD   LYS  16          1HD       LYS  16  14.571   2.884  -2.956
  106   2HD   LYS  16          2HD       LYS  16  14.284   3.258  -4.643
  107   1HE   LYS  16          1HE       LYS  16  16.366   4.244  -4.933
  108   2HE   LYS  16          2HE       LYS  16  16.418   4.877  -3.300
  109   1HZ   LYS  16          1HZ       LYS  16  16.706   2.524  -2.580
  110   2HZ   LYS  16          2HZ       LYS  16  16.930   2.118  -4.146
  111   3HZ   LYS  16          3HZ       LYS  16  17.963   3.149  -3.414
  112    H    ASP  17           H        ASP  17  10.344   3.271  -3.020
  113    HA   ASP  17           HA       ASP  17  11.370   0.955  -4.467
  114   1HB   ASP  17          1HB       ASP  17  11.306   1.607  -1.607
  115   2HB   ASP  17          2HB       ASP  17  10.453   0.108  -1.919
  116    H    ARG  18           H        ARG  18   8.793   2.872  -4.382
  117    HA   ARG  18           HA       ARG  18   6.747   1.096  -3.581
  118   1HB   ARG  18          1HB       ARG  18   6.393   3.537  -5.374
  119   2HB   ARG  18          2HB       ARG  18   5.229   2.853  -4.257
  120   1HG   ARG  18          1HG       ARG  18   7.871   4.161  -3.452
  121   2HG   ARG  18          2HG       ARG  18   6.299   4.929  -3.357
  122   1HD   ARG  18          1HD       ARG  18   5.570   2.968  -1.841
  123   2HD   ARG  18          2HD       ARG  18   7.257   2.496  -1.785
  124    HE   ARG  18           HE       ARG  18   7.608   4.208  -0.248
  125   1HH1  ARG  18          1HH1      ARG  18   4.824   5.051  -2.227
  126   2HH1  ARG  18          2HH1      ARG  18   4.490   6.514  -1.361
  127   1HH2  ARG  18          1HH2      ARG  18   7.169   6.138   0.894
  128   2HH2  ARG  18          2HH2      ARG  18   5.833   7.136   0.426
  129    H    VAL  19           H        VAL  19   5.959  -0.596  -4.795
  130    HA   VAL  19           HA       VAL  19   6.723  -0.755  -7.577
  131    HB   VAL  19           HB       VAL  19   5.009  -2.738  -6.121
  132   1HG1  VAL  19          1HG1      VAL  19   7.056  -2.825  -8.342
  133   2HG1  VAL  19          2HG1      VAL  19   6.560  -4.294  -7.467
  134   3HG1  VAL  19          3HG1      VAL  19   5.353  -3.343  -8.365
  135   1HG2  VAL  19          1HG2      VAL  19   7.776  -1.947  -5.422
  136   2HG2  VAL  19          2HG2      VAL  19   6.534  -2.773  -4.450
  137   3HG2  VAL  19          3HG2      VAL  19   7.507  -3.695  -5.622
  138    H    ASP  20           H        ASP  20   4.221   0.662  -5.784
  139    HA   ASP  20           HA       ASP  20   2.282   1.483  -6.294
  140   1HB   ASP  20          1HB       ASP  20   3.190   2.562  -8.215
  141   2HB   ASP  20          2HB       ASP  20   3.399   1.052  -9.079
  142    H    CYS  21           H        CYS  21   0.398   0.333  -5.846
  143    HA   CYS  21           HA       CYS  21   0.144  -2.333  -6.893
  144   1HB   CYS  21          1HB       CYS  21  -0.455  -1.311  -4.496
  145   2HB   CYS  21          2HB       CYS  21  -2.010  -1.072  -5.268
  146    H    GLY  22           H        GLY  22  -1.004   0.953  -7.475
  147   1HA   GLY  22          1HA       GLY  22  -2.260   0.196  -9.921
  148   2HA   GLY  22          2HA       GLY  22  -2.194   1.793  -9.201
  149    H    TYR  23           H        TYR  23  -3.840   2.479  -7.695
  150    HA   TYR  23           HA       TYR  23  -6.289   0.903  -7.973
  151   1HB   TYR  23          1HB       TYR  23  -4.712   1.768  -5.530
  152   2HB   TYR  23          2HB       TYR  23  -6.453   1.921  -5.409
  153    HD1  TYR  23           HD1      TYR  23  -7.802  -0.265  -6.178
  154    HD2  TYR  23           HD2      TYR  23  -3.735  -0.227  -4.851
  155    HE1  TYR  23           HE1      TYR  23  -7.970  -2.728  -5.572
  156    HE2  TYR  23           HE2      TYR  23  -3.917  -2.691  -4.249
  157    HH   TYR  23           HH       TYR  23  -5.982  -4.676  -5.392
  158    HA   PRO  24           HA       PRO  24  -7.950   4.836  -8.698
  159   1HB   PRO  24          1HB       PRO  24 -10.615   4.319  -8.389
  160   2HB   PRO  24          2HB       PRO  24  -9.730   3.945  -9.855
  161   1HG   PRO  24          1HG       PRO  24 -10.672   2.108  -7.739
  162   2HG   PRO  24          2HG       PRO  24 -10.178   1.733  -9.379
  163   1HD   PRO  24          1HD       PRO  24  -8.650   1.315  -6.988
  164   2HD   PRO  24          2HD       PRO  24  -8.113   1.049  -8.634
  165    H    HIS  25           H        HIS  25 -10.140   3.607  -6.227
  166    HA   HIS  25           HA       HIS  25  -9.787   6.116  -4.844
  167   1HB   HIS  25          1HB       HIS  25 -11.690   5.475  -3.551
  168   2HB   HIS  25          2HB       HIS  25 -12.034   5.140  -5.236
  169    HD1  HIS  25           HD1      HIS  25 -13.691   3.680  -3.154
  170    HD2  HIS  25           HD2      HIS  25 -10.089   2.159  -4.673
  171    HE1  HIS  25           HE1      HIS  25 -13.767   1.157  -2.782
  172    HE2  HIS  25           HE2      HIS  25 -11.553   0.271  -3.785
  173    H    VAL  26           H        VAL  26  -7.551   5.863  -4.189
  174    HA   VAL  26           HA       VAL  26  -7.048   3.679  -2.328
  175    HB   VAL  26           HB       VAL  26  -4.711   4.510  -2.463
  176   1HG1  VAL  26          1HG1      VAL  26  -6.087   3.828  -5.083
  177   2HG1  VAL  26          2HG1      VAL  26  -4.328   3.769  -4.813
  178   3HG1  VAL  26          3HG1      VAL  26  -5.406   2.689  -3.897
  179   1HG2  VAL  26          1HG2      VAL  26  -5.894   6.832  -3.484
  180   2HG2  VAL  26          2HG2      VAL  26  -4.155   6.466  -3.390
  181   3HG2  VAL  26          3HG2      VAL  26  -5.064   6.096  -4.875
  182    H    THR  27           H        THR  27  -6.682   3.978  -0.130
  183    HA   THR  27           HA       THR  27  -6.483   6.668   0.909
  184    HB   THR  27           HB       THR  27  -8.572   6.713   2.013
  185    HG1  THR  27           HG1      THR  27  -9.694   4.597   2.310
  186   1HG2  THR  27          1HG2      THR  27  -9.082   4.973  -0.458
  187   2HG2  THR  27          2HG2      THR  27 -10.349   5.806   0.473
  188   3HG2  THR  27          3HG2      THR  27  -9.126   6.752  -0.408
  189    HA   PRO  28           HA       PRO  28  -4.380   4.665   4.072
  190   1HB   PRO  28          1HB       PRO  28  -5.030   6.025   6.351
  191   2HB   PRO  28          2HB       PRO  28  -3.883   6.626   5.170
  192   1HG   PRO  28          1HG       PRO  28  -6.664   7.498   5.663
  193   2HG   PRO  28          2HG       PRO  28  -5.385   8.339   4.811
  194   1HD   PRO  28          1HD       PRO  28  -7.605   6.951   3.638
  195   2HD   PRO  28          2HD       PRO  28  -6.264   7.693   2.787
  196    H    LYS  29           H        LYS  29  -6.698   3.281   3.307
  197    HA   LYS  29           HA       LYS  29  -6.823   1.447   5.379
  198   1HB   LYS  29          1HB       LYS  29  -8.024   3.327   6.541
  199   2HB   LYS  29          2HB       LYS  29  -9.281   3.219   5.326
  200   1HG   LYS  29          1HG       LYS  29  -9.678   1.895   7.500
  201   2HG   LYS  29          2HG       LYS  29  -9.922   1.018   6.003
  202   1HD   LYS  29          1HD       LYS  29  -7.919  -0.217   6.234
  203   2HD   LYS  29          2HD       LYS  29  -7.185   0.971   7.293
  204   1HE   LYS  29          1HE       LYS  29  -9.625  -0.669   8.111
  205   2HE   LYS  29          2HE       LYS  29  -7.984  -1.206   8.413
  206   1HZ   LYS  29          1HZ       LYS  29  -8.285   1.452   9.242
  207   2HZ   LYS  29          2HZ       LYS  29  -9.454   0.539   9.925
  208   3HZ   LYS  29          3HZ       LYS  29  -7.883   0.143  10.131
  209    H    GLU  30           H        GLU  30  -8.746   3.079   2.784
  210    HA   GLU  30           HA       GLU  30  -9.991   0.695   1.999
  211   1HB   GLU  30          1HB       GLU  30 -10.932   2.932   1.522
  212   2HB   GLU  30          2HB       GLU  30  -9.567   3.313   0.491
  213   1HG   GLU  30          1HG       GLU  30 -11.011   2.569  -1.152
  214   2HG   GLU  30          2HG       GLU  30 -10.312   1.020  -0.724
  215    H    CYS  31           H        CYS  31  -7.070   2.496   0.887
  216    HA   CYS  31           HA       CYS  31  -6.581   0.861  -1.331
  217   1HB   CYS  31          1HB       CYS  31  -5.457   2.833  -1.491
  218   2HB   CYS  31          2HB       CYS  31  -5.075   2.900   0.218
  219    H    ASN  32           H        ASN  32  -5.722   0.743   2.154
  220    HA   ASN  32           HA       ASN  32  -3.982  -1.477   1.759
  221   1HB   ASN  32          1HB       ASN  32  -3.357  -0.122   3.610
  222   2HB   ASN  32          2HB       ASN  32  -5.013   0.097   4.139
  223   2HD2  ASN  32          2HD2      ASN  32  -5.230  -0.749   6.062
  224   1HD2  ASN  32          1HD2      ASN  32  -4.696  -2.310   6.589
  225    H    ASN  33           H        ASN  33  -7.347  -0.979   1.854
  226    HA   ASN  33           HA       ASN  33  -7.919  -3.427   3.260
  227   1HB   ASN  33          1HB       ASN  33  -9.420  -1.540   3.699
  228   2HB   ASN  33          2HB       ASN  33  -9.675  -1.270   1.986
  229   2HD2  ASN  33          2HD2      ASN  33 -11.045  -2.446   4.677
  230   1HD2  ASN  33          1HD2      ASN  33 -12.142  -3.624   4.037
  231    H    ARG  34           H        ARG  34  -8.108  -1.885  -0.002
  232    HA   ARG  34           HA       ARG  34  -9.512  -3.827  -1.298
  233   1HB   ARG  34          1HB       ARG  34  -8.346  -1.459  -2.020
  234   2HB   ARG  34          2HB       ARG  34  -7.223  -2.567  -2.783
  235   1HG   ARG  34          1HG       ARG  34  -9.154  -1.864  -4.268
  236   2HG   ARG  34          2HG       ARG  34  -8.979  -3.599  -4.095
  237   1HD   ARG  34          1HD       ARG  34 -10.715  -2.399  -2.012
  238   2HD   ARG  34          2HD       ARG  34 -11.325  -2.153  -3.636
  239    HE   ARG  34           HE       ARG  34 -10.465  -4.890  -3.313
  240   1HH1  ARG  34          1HH1      ARG  34 -13.064  -2.688  -2.430
  241   2HH1  ARG  34          2HH1      ARG  34 -14.247  -3.943  -2.275
  242   1HH2  ARG  34          1HH2      ARG  34 -12.026  -6.547  -3.108
  243   2HH2  ARG  34          2HH2      ARG  34 -13.653  -6.153  -2.663
  244    H    GLY  35           H        GLY  35  -6.254  -3.874  -0.014
  245   1HA   GLY  35          1HA       GLY  35  -5.753  -6.444  -1.393
  246   2HA   GLY  35          2HA       GLY  35  -5.315  -6.100   0.268
  247    H    CYS  36           H        CYS  36  -3.812  -4.116   0.602
  248    HA   CYS  36           HA       CYS  36  -1.448  -4.548  -0.669
  249   1HB   CYS  36          1HB       CYS  36  -3.139  -3.234  -2.465
  250   2HB   CYS  36          2HB       CYS  36  -2.099  -1.970  -1.839
  251    H    CYS  37           H        CYS  37  -0.554  -1.709  -0.747
  252    HA   CYS  37           HA       CYS  37  -1.074  -1.001   2.049
  253   1HB   CYS  37          1HB       CYS  37   1.489  -1.333   0.584
  254   2HB   CYS  37          2HB       CYS  37   1.378   0.038   1.670
  255    H    PHE  38           H        PHE  38  -1.037   1.345   2.474
  256    HA   PHE  38           HA       PHE  38  -1.443   2.897   0.014
  257   1HB   PHE  38          1HB       PHE  38  -3.514   2.591   1.341
  258   2HB   PHE  38          2HB       PHE  38  -2.672   2.972   2.829
  259    HD1  PHE  38           HD1      PHE  38  -4.021   4.391  -0.289
  260    HD2  PHE  38           HD2      PHE  38  -2.326   5.239   3.508
  261    HE1  PHE  38           HE1      PHE  38  -4.686   6.799  -0.530
  262    HE2  PHE  38           HE2      PHE  38  -2.992   7.647   3.267
  263    HZ   PHE  38           HZ       PHE  38  -4.164   8.399   1.251
  264    H    ASP  39           H        ASP  39  -1.228   5.405   0.587
  265    HA   ASP  39           HA       ASP  39   0.437   6.153   2.651
  266   1HB   ASP  39          1HB       ASP  39   2.185   4.863   1.482
  267   2HB   ASP  39          2HB       ASP  39   1.831   5.684  -0.025
  268    H    SER  40           H        SER  40   0.609   8.489   2.634
  269    HA   SER  40           HA       SER  40  -0.258   9.772   0.178
  270   1HB   SER  40          1HB       SER  40  -1.778  11.256   1.430
  271   2HB   SER  40          2HB       SER  40  -2.253   9.581   1.623
  272    HG   SER  40           HG       SER  40  -2.149  11.007   3.620
  273    H    ARG  41           H        ARG  41   2.295   9.322   1.934
  274    HA   ARG  41           HA       ARG  41   2.926  11.733   3.118
  275   1HB   ARG  41          1HB       ARG  41   4.116   9.284   2.991
  276   2HB   ARG  41          2HB       ARG  41   5.124  10.128   1.831
  277   1HG   ARG  41          1HG       ARG  41   5.640  11.881   3.508
  278   2HG   ARG  41          2HG       ARG  41   4.563  11.124   4.665
  279   1HD   ARG  41          1HD       ARG  41   6.239   9.758   5.354
  280   2HD   ARG  41          2HD       ARG  41   6.373   9.085   3.742
  281    HE   ARG  41           HE       ARG  41   7.668  11.699   3.999
  282   1HH1  ARG  41          1HH1      ARG  41   8.084   8.229   4.415
  283   2HH1  ARG  41          2HH1      ARG  41   9.810   8.291   4.286
  284   1HH2  ARG  41          1HH2      ARG  41   9.946  11.781   3.828
  285   2HH2  ARG  41          2HH2      ARG  41  10.876  10.325   3.950
  286    H    ILE  42           H        ILE  42   3.257  10.506  -0.239
  287    HA   ILE  42           HA       ILE  42   3.614  13.207  -1.166
  288    HB   ILE  42           HB       ILE  42   5.627  12.049  -2.585
  289   1HG1  ILE  42          1HG1      ILE  42   7.161  11.011  -0.941
  290   2HG1  ILE  42          2HG1      ILE  42   5.885  11.031   0.261
  291   1HG2  ILE  42          1HG2      ILE  42   5.337  14.043  -0.472
  292   2HG2  ILE  42          2HG2      ILE  42   6.955  13.302  -0.509
  293   3HG2  ILE  42          3HG2      ILE  42   6.300  14.082  -1.969
  294   1HD1  ILE  42          1HD1      ILE  42   5.268   9.774  -2.407
  295   2HD1  ILE  42          2HD1      ILE  42   6.310   8.881  -1.274
  296   3HD1  ILE  42          3HD1      ILE  42   4.663   9.348  -0.787
  297    HA   PRO  43           HA       PRO  43   1.174  11.312  -4.208
  298   1HB   PRO  43          1HB       PRO  43   0.829  13.467  -5.852
  299   2HB   PRO  43          2HB       PRO  43  -0.139  13.191  -4.418
  300   1HG   PRO  43          1HG       PRO  43   2.049  15.135  -4.831
  301   2HG   PRO  43          2HG       PRO  43   0.809  15.126  -3.593
  302   1HD   PRO  43          1HD       PRO  43   3.555  14.358  -3.278
  303   2HD   PRO  43          2HD       PRO  43   2.288  14.239  -2.073
  304    H    GLY  44           H        GLY  44   4.061  13.067  -5.054
  305   1HA   GLY  44          1HA       GLY  44   5.723  12.431  -6.456
  306   2HA   GLY  44          2HA       GLY  44   4.444  12.504  -7.652
  307    H    VAL  45           H        VAL  45   4.781  10.177  -4.904
  308    HA   VAL  45           HA       VAL  45   5.423   8.076  -6.821
  309    HB   VAL  45           HB       VAL  45   6.324   6.914  -5.074
  310   1HG1  VAL  45          1HG1      VAL  45   6.860   9.711  -5.092
  311   2HG1  VAL  45          2HG1      VAL  45   6.879   9.172  -3.396
  312   3HG1  VAL  45          3HG1      VAL  45   7.932   8.381  -4.593
  313   1HG2  VAL  45          1HG2      VAL  45   4.233   8.258  -3.384
  314   2HG2  VAL  45          2HG2      VAL  45   4.603   6.527  -3.576
  315   3HG2  VAL  45          3HG2      VAL  45   5.679   7.566  -2.612
  316    HA   PRO  46           HA       PRO  46   1.536   6.201  -6.513
  317   1HB   PRO  46          1HB       PRO  46   2.011   3.532  -6.167
  318   2HB   PRO  46          2HB       PRO  46   2.166   4.340  -7.714
  319   1HG   PRO  46          1HG       PRO  46   4.296   3.414  -5.886
  320   2HG   PRO  46          2HG       PRO  46   4.410   3.825  -7.586
  321   1HD   PRO  46          1HD       PRO  46   5.267   5.433  -5.370
  322   2HD   PRO  46          2HD       PRO  46   5.273   5.890  -7.062
  323    H    TRP  47           H        TRP  47   0.588   7.255  -4.774
  324    HA   TRP  47           HA       TRP  47   0.990   6.946  -2.189
  325   1HB   TRP  47          1HB       TRP  47  -1.492   7.249  -3.797
  326   2HB   TRP  47          2HB       TRP  47  -1.685   6.861  -2.098
  327    HD1  TRP  47           HD1      TRP  47   1.204   9.166  -3.197
  328    HE1  TRP  47           HE1      TRP  47   0.868  11.620  -2.290
  329    HE3  TRP  47           HE3      TRP  47  -3.495   8.420  -1.403
  330    HZ2  TRP  47           HZ2      TRP  47  -1.278  12.945  -0.953
  331    HZ3  TRP  47           HZ3      TRP  47  -4.640  10.346  -0.311
  332    HH2  TRP  47           HH2      TRP  47  -3.607  12.549  -0.072
  333    H    CYS  48           H        CYS  48  -1.020   4.651  -4.175
  334    HA   CYS  48           HA       CYS  48  -0.894   2.757  -1.983
  335   1HB   CYS  48          1HB       CYS  48  -3.009   3.348  -3.333
  336   2HB   CYS  48          2HB       CYS  48  -2.325   2.349  -4.600
  337    H    PHE  49           H        PHE  49   0.900   1.445  -1.937
  338    HA   PHE  49           HA       PHE  49   1.837   0.414  -4.514
  339   1HB   PHE  49          1HB       PHE  49   4.171   0.602  -3.339
  340   2HB   PHE  49          2HB       PHE  49   3.456   2.105  -3.888
  341    HD1  PHE  49           HD1      PHE  49   3.561  -0.060  -0.847
  342    HD2  PHE  49           HD2      PHE  49   3.360   3.879  -2.413
  343    HE1  PHE  49           HE1      PHE  49   3.738   0.873   1.477
  344    HE2  PHE  49           HE2      PHE  49   3.537   4.812  -0.089
  345    HZ   PHE  49           HZ       PHE  49   3.724   3.298   1.828
  346    H    LYS  50           H        LYS  50   3.260  -1.587  -4.207
  347    HA   LYS  50           HA       LYS  50   1.860  -3.441  -2.639
  348   1HB   LYS  50          1HB       LYS  50   4.441  -3.527  -4.202
  349   2HB   LYS  50          2HB       LYS  50   3.892  -4.907  -3.272
  350   1HG   LYS  50          1HG       LYS  50   1.576  -4.165  -4.632
  351   2HG   LYS  50          2HG       LYS  50   2.823  -3.797  -5.807
  352   1HD   LYS  50          1HD       LYS  50   3.556  -6.316  -4.708
  353   2HD   LYS  50          2HD       LYS  50   1.821  -6.404  -4.939
  354   1HE   LYS  50          1HE       LYS  50   2.793  -5.143  -7.286
  355   2HE   LYS  50          2HE       LYS  50   3.957  -6.409  -6.949
  356   1HZ   LYS  50          1HZ       LYS  50   1.052  -6.838  -7.037
  357   2HZ   LYS  50          2HZ       LYS  50   2.067  -7.147  -8.278
  358   3HZ   LYS  50          3HZ       LYS  50   2.199  -7.991  -6.886
  359    HA   PRO  51           HA       PRO  51   3.929  -3.280   1.144
  360   1HB   PRO  51          1HB       PRO  51   3.969  -5.883   1.975
  361   2HB   PRO  51          2HB       PRO  51   2.549  -4.862   2.089
  362   1HG   PRO  51          1HG       PRO  51   3.115  -7.045   0.177
  363   2HG   PRO  51          2HG       PRO  51   1.575  -6.313   0.583
  364   1HD   PRO  51          1HD       PRO  51   3.125  -5.846  -1.785
  365   2HD   PRO  51          2HD       PRO  51   1.645  -5.030  -1.323
  366    H    LEU  52           H        LEU  52   5.943  -2.674   1.588
  367    HA   LEU  52           HA       LEU  52   8.084  -3.227   0.134
  368   1HB   LEU  52          1HB       LEU  52   8.229  -1.667   1.882
  369   2HB   LEU  52          2HB       LEU  52   7.821  -2.854   3.105
  370    HG   LEU  52           HG       LEU  52  10.389  -2.915   1.500
  371   1HD1  LEU  52          1HD1      LEU  52   9.695  -1.509   4.059
  372   2HD1  LEU  52          2HD1      LEU  52  11.334  -2.159   3.815
  373   3HD1  LEU  52          3HD1      LEU  52  10.676  -0.955   2.681
  374   1HD2  LEU  52          1HD2      LEU  52   9.147  -4.722   3.422
  375   2HD2  LEU  52          2HD2      LEU  52  10.529  -4.978   2.329
  376   3HD2  LEU  52          3HD2      LEU  52  10.780  -4.215   3.917
  377    H    GLN  53           H        GLN  53   9.283  -4.950  -0.489
  378    HA   GLN  53           HA       GLN  53   8.499  -7.499   0.355
  379   1HB   GLN  53          1HB       GLN  53  10.340  -8.292  -1.100
  380   2HB   GLN  53          2HB       GLN  53   9.381  -7.064  -1.902
  381   1HG   GLN  53          1HG       GLN  53  11.557  -5.833  -0.376
  382   2HG   GLN  53          2HG       GLN  53  12.187  -7.038  -1.482
  383   2HE2  GLN  53          2HE2      GLN  53  11.228  -3.886  -1.126
  384   1HE2  GLN  53          1HE2      GLN  53  11.016  -3.420  -2.781
  385    H    GLU  54           H        GLU  54   8.792  -6.962   2.767
  386    HA   GLU  54           HA       GLU  54  11.111  -6.449   3.985
  387   1HB   GLU  54          1HB       GLU  54  10.156  -7.362   5.950
  388   2HB   GLU  54          2HB       GLU  54   8.769  -6.919   4.976
  389   1HG   GLU  54          1HG       GLU  54   9.963  -9.709   5.298
  390   2HG   GLU  54          2HG       GLU  54   8.402  -9.161   5.876
  391    H    ALA  55           H        ALA  55  13.128  -7.335   3.946
  392    HA   ALA  55           HA       ALA  55  13.515 -10.125   4.201
  393   1HB   ALA  55          1HB       ALA  55  12.830  -9.877   1.756
  394   2HB   ALA  55          2HB       ALA  55  14.409 -10.649   2.042
  395   3HB   ALA  55          3HB       ALA  55  14.331  -8.949   1.521
  396    H    GLU  56           H        GLU  56  14.230  -7.739   5.627
  397    HA   GLU  56           HA       GLU  56  17.012  -8.182   5.745
  398   1HB   GLU  56          1HB       GLU  56  17.729  -5.843   5.274
  399   2HB   GLU  56          2HB       GLU  56  17.059  -6.627   3.856
  400   1HG   GLU  56          1HG       GLU  56  15.113  -5.129   5.579
  401   2HG   GLU  56          2HG       GLU  56  16.279  -4.155   4.707
  402    H    CYS  57           H        CYS  57  17.982  -6.388   7.407
  403    HA   CYS  57           HA       CYS  57  16.252  -6.587   9.673
  404   1HB   CYS  57          1HB       CYS  57  18.931  -5.201   9.520
  405   2HB   CYS  57          2HB       CYS  57  18.106  -5.785  10.952
  406    H    THR  58           H        THR  58  17.917  -3.913   7.841
  407    HA   THR  58           HA       THR  58  17.459  -1.744   7.641
  408    HB   THR  58           HB       THR  58  14.664  -2.966   7.806
  409    HG1  THR  58           HG1      THR  58  16.500  -1.871   5.794
  410   1HG2  THR  58          1HG2      THR  58  14.888  -0.348   8.307
  411   2HG2  THR  58          2HG2      THR  58  15.254  -0.263   6.567
  412   3HG2  THR  58          3HG2      THR  58  13.696  -0.926   7.118
  413    H    PHE  59           H        PHE  59  18.619  -1.316   9.635
  414    HA   PHE  59           HA       PHE  59  18.810  -0.633  11.747
  415   1HB   PHE  59          1HB       PHE  59  18.035   1.386  10.477
  416   2HB   PHE  59          2HB       PHE  59  16.363   0.908  10.695
  417    HD1  PHE  59           HD1      PHE  59  19.381   1.681  12.758
  418    HD2  PHE  59           HD2      PHE  59  15.160   1.922  12.381
  419    HE1  PHE  59           HE1      PHE  59  19.269   3.035  14.869
  420    HE2  PHE  59           HE2      PHE  59  15.049   3.275  14.492
  421    HZ   PHE  59           HZ       PHE  59  17.105   3.815  15.711

  No H/Q in entry =         421
  Start of MODEL    9
    1    H    GLU   1           H        GLU   1   4.107 -14.170  20.700
    2    HA   GLU   1           HA       GLU   1   5.588 -12.797  21.496
    3   1HB   GLU   1          1HB       GLU   1   6.835 -13.762  19.008
    4   2HB   GLU   1          2HB       GLU   1   7.455 -12.197  19.494
    5   1HG   GLU   1          1HG       GLU   1   8.537 -13.053  21.320
    6   2HG   GLU   1          2HG       GLU   1   7.175 -14.059  21.774
    7    H    GLU   2           H        GLU   2   5.631 -11.694  18.029
    8    HA   GLU   2           HA       GLU   2   3.919  -9.581  18.387
    9   1HB   GLU   2          1HB       GLU   2   6.396  -9.065  19.661
   10   2HB   GLU   2          2HB       GLU   2   6.460  -8.153  18.167
   11   1HG   GLU   2          1HG       GLU   2   4.027  -7.372  18.799
   12   2HG   GLU   2          2HG       GLU   2   4.419  -7.949  20.407
   13    H    TYR   3           H        TYR   3   3.195  -9.868  16.299
   14    HA   TYR   3           HA       TYR   3   4.592  -8.797  14.167
   15   1HB   TYR   3          1HB       TYR   3   6.102 -10.731  14.352
   16   2HB   TYR   3          2HB       TYR   3   4.766 -11.823  14.657
   17    HD1  TYR   3           HD1      TYR   3   6.179  -9.599  11.999
   18    HD2  TYR   3           HD2      TYR   3   3.840 -13.067  12.898
   19    HE1  TYR   3           HE1      TYR   3   6.084 -10.184   9.527
   20    HE2  TYR   3           HE2      TYR   3   3.753 -13.640  10.423
   21    HH   TYR   3           HH       TYR   3   5.239 -13.159   8.412
   22    H    VAL   4           H        VAL   4   2.687  -7.936  13.415
   23    HA   VAL   4           HA       VAL   4   0.976  -9.555  11.928
   24    HB   VAL   4           HB       VAL   4   0.206 -10.371  14.079
   25   1HG1  VAL   4          1HG1      VAL   4   0.755  -7.892  15.070
   26   2HG1  VAL   4          2HG1      VAL   4  -1.018  -7.817  14.936
   27   3HG1  VAL   4          3HG1      VAL   4  -0.252  -9.106  15.895
   28   1HG2  VAL   4          1HG2      VAL   4  -1.520  -8.854  12.227
   29   2HG2  VAL   4          2HG2      VAL   4  -1.656 -10.528  12.817
   30   3HG2  VAL   4          3HG2      VAL   4  -2.247  -9.181  13.819
   31    H    GLY   5           H        GLY   5   2.435  -7.340  11.293
   32   1HA   GLY   5          1HA       GLY   5   0.607  -5.616  10.153
   33   2HA   GLY   5          2HA       GLY   5   2.303  -5.270  10.429
   34    H    LEU   6           H        LEU   6   2.716  -4.969  13.054
   35    HA   LEU   6           HA       LEU   6   0.558  -3.351  14.144
   36   1HB   LEU   6          1HB       LEU   6   2.017  -3.357  16.179
   37   2HB   LEU   6          2HB       LEU   6   1.370  -4.908  15.683
   38    HG   LEU   6           HG       LEU   6   3.830  -4.745  16.469
   39   1HD1  LEU   6          1HD1      LEU   6   2.451  -6.507  14.815
   40   2HD1  LEU   6          2HD1      LEU   6   3.990  -6.218  13.968
   41   3HD1  LEU   6          3HD1      LEU   6   3.996  -6.805  15.648
   42   1HD2  LEU   6          1HD2      LEU   6   4.127  -3.751  13.622
   43   2HD2  LEU   6          2HD2      LEU   6   4.519  -2.859  15.112
   44   3HD2  LEU   6          3HD2      LEU   6   5.457  -4.305  14.668
   45    H    SER   7           H        SER   7   2.157  -2.536  11.738
   46    HA   SER   7           HA       SER   7   2.480   0.112  12.446
   47   1HB   SER   7          1HB       SER   7   4.944   0.372  12.219
   48   2HB   SER   7          2HB       SER   7   4.512  -0.583  13.624
   49    HG   SER   7           HG       SER   7   4.766  -2.413  11.768
   50    H    ALA   8           H        ALA   8   4.328   1.001  10.500
   51    HA   ALA   8           HA       ALA   8   2.969   0.095   8.086
   52   1HB   ALA   8          1HB       ALA   8   4.921   2.370   8.128
   53   2HB   ALA   8          2HB       ALA   8   3.380   2.580   8.993
   54   3HB   ALA   8          3HB       ALA   8   3.380   2.205   7.253
   55    H    ASN   9           H        ASN   9   4.978  -1.600   9.484
   56    HA   ASN   9           HA       ASN   9   7.468  -1.418   8.427
   57   1HB   ASN   9          1HB       ASN   9   6.597  -3.086  10.169
   58   2HB   ASN   9          2HB       ASN   9   5.914  -4.022   8.854
   59   2HD2  ASN   9          2HD2      ASN   9   8.770  -3.046  10.530
   60   1HD2  ASN   9          1HD2      ASN   9   9.910  -4.084   9.741
   61    H    GLN  10           H        GLN  10   4.623  -3.350   7.205
   62    HA   GLN  10           HA       GLN  10   5.911  -4.184   4.885
   63   1HB   GLN  10          1HB       GLN  10   3.598  -4.802   4.130
   64   2HB   GLN  10          2HB       GLN  10   3.979  -5.384   5.738
   65   1HG   GLN  10          1HG       GLN  10   2.830  -2.689   5.857
   66   2HG   GLN  10          2HG       GLN  10   1.767  -3.777   4.986
   67   2HE2  GLN  10          2HE2      GLN  10   2.745  -2.671   7.974
   68   1HE2  GLN  10          1HE2      GLN  10   2.060  -3.885   9.002
   69    H    CYS  11           H        CYS  11   4.208  -1.214   5.776
   70    HA   CYS  11           HA       CYS  11   4.423  -0.338   2.989
   71   1HB   CYS  11          1HB       CYS  11   2.735   1.192   4.888
   72   2HB   CYS  11          2HB       CYS  11   2.523   0.890   3.175
   73    H    ALA  12           H        ALA  12   6.767  -0.398   4.476
   74    HA   ALA  12           HA       ALA  12   7.081   2.405   5.310
   75   1HB   ALA  12          1HB       ALA  12   9.169   1.185   6.496
   76   2HB   ALA  12          2HB       ALA  12   7.571   1.312   7.270
   77   3HB   ALA  12          3HB       ALA  12   8.041  -0.192   6.442
   78    H    VAL  13           H        VAL  13   7.141   2.082   2.642
   79    HA   VAL  13           HA       VAL  13   9.886   1.491   1.876
   80    HB   VAL  13           HB       VAL  13   7.959   2.426  -0.143
   81   1HG1  VAL  13          1HG1      VAL  13  10.206   0.564   0.131
   82   2HG1  VAL  13          2HG1      VAL  13   8.863  -0.101  -0.829
   83   3HG1  VAL  13          3HG1      VAL  13   9.613   1.444  -1.298
   84   1HG2  VAL  13          1HG2      VAL  13   7.331   0.116   1.668
   85   2HG2  VAL  13          2HG2      VAL  13   6.243   1.313   0.926
   86   3HG2  VAL  13          3HG2      VAL  13   6.927  -0.001  -0.061
   87    HA   PRO  14           HA       PRO  14  10.952   5.675   1.694
   88   1HB   PRO  14          1HB       PRO  14  13.017   5.626  -0.095
   89   2HB   PRO  14          2HB       PRO  14  13.197   5.174   1.588
   90   1HG   PRO  14          1HG       PRO  14  13.082   3.432  -0.798
   91   2HG   PRO  14          2HG       PRO  14  13.676   3.056   0.808
   92   1HD   PRO  14          1HD       PRO  14  11.165   2.255  -0.324
   93   2HD   PRO  14          2HD       PRO  14  11.709   1.980   1.318
   94    H    ALA  15           H        ALA  15   9.229   4.230  -0.607
   95    HA   ALA  15           HA       ALA  15   7.803   5.205  -2.046
   96   1HB   ALA  15          1HB       ALA  15   8.727   7.441  -0.724
   97   2HB   ALA  15          2HB       ALA  15   7.507   7.453  -2.021
   98   3HB   ALA  15          3HB       ALA  15   9.215   7.777  -2.403
   99    H    LYS  16           H        LYS  16  11.298   5.198  -2.258
  100    HA   LYS  16           HA       LYS  16  11.231   5.398  -5.154
  101   1HB   LYS  16          1HB       LYS  16  13.666   5.398  -4.987
  102   2HB   LYS  16          2HB       LYS  16  12.962   6.623  -3.952
  103   1HG   LYS  16          1HG       LYS  16  14.687   5.499  -2.671
  104   2HG   LYS  16          2HG       LYS  16  13.142   5.015  -2.002
  105   1HD   LYS  16          1HD       LYS  16  13.301   2.834  -2.821
  106   2HD   LYS  16          2HD       LYS  16  14.266   3.304  -4.206
  107   1HE   LYS  16          1HE       LYS  16  16.193   3.789  -2.595
  108   2HE   LYS  16          2HE       LYS  16  15.220   3.099  -1.312
  109   1HZ   LYS  16          1HZ       LYS  16  15.096   1.260  -3.284
  110   2HZ   LYS  16          2HZ       LYS  16  16.641   1.782  -3.376
  111   3HZ   LYS  16          3HZ       LYS  16  16.063   1.182  -1.971
  112    H    ASP  17           H        ASP  17  10.321   3.088  -3.057
  113    HA   ASP  17           HA       ASP  17  11.422   1.010  -4.776
  114   1HB   ASP  17          1HB       ASP  17  11.751   1.331  -1.933
  115   2HB   ASP  17          2HB       ASP  17  10.697  -0.048  -2.178
  116    H    ARG  18           H        ARG  18   8.830   2.694  -4.610
  117    HA   ARG  18           HA       ARG  18   6.865   0.920  -3.637
  118   1HB   ARG  18          1HB       ARG  18   6.402   3.228  -5.578
  119   2HB   ARG  18          2HB       ARG  18   5.273   2.580  -4.405
  120   1HG   ARG  18          1HG       ARG  18   7.915   3.712  -3.448
  121   2HG   ARG  18          2HG       ARG  18   6.617   4.809  -3.873
  122   1HD   ARG  18          1HD       ARG  18   5.304   2.907  -2.298
  123   2HD   ARG  18          2HD       ARG  18   6.872   3.021  -1.524
  124    HE   ARG  18           HE       ARG  18   5.549   5.592  -2.178
  125   1HH1  ARG  18          1HH1      ARG  18   6.297   3.168   0.261
  126   2HH1  ARG  18          2HH1      ARG  18   5.973   4.225   1.595
  127   1HH2  ARG  18          1HH2      ARG  18   5.121   6.987  -0.419
  128   2HH2  ARG  18          2HH2      ARG  18   5.299   6.412   1.205
  129    H    VAL  19           H        VAL  19   5.560  -0.551  -4.800
  130    HA   VAL  19           HA       VAL  19   6.473  -1.086  -7.519
  131    HB   VAL  19           HB       VAL  19   4.683  -2.754  -5.751
  132   1HG1  VAL  19          1HG1      VAL  19   5.796  -3.033  -8.440
  133   2HG1  VAL  19          2HG1      VAL  19   6.201  -4.409  -7.386
  134   3HG1  VAL  19          3HG1      VAL  19   4.499  -3.950  -7.636
  135   1HG2  VAL  19          1HG2      VAL  19   6.949  -2.180  -4.719
  136   2HG2  VAL  19          2HG2      VAL  19   6.561  -3.909  -4.893
  137   3HG2  VAL  19          3HG2      VAL  19   7.672  -3.126  -6.043
  138    H    ASP  20           H        ASP  20   4.235   0.856  -6.047
  139    HA   ASP  20           HA       ASP  20   2.278   1.666  -6.555
  140   1HB   ASP  20          1HB       ASP  20   3.346   2.650  -8.443
  141   2HB   ASP  20          2HB       ASP  20   3.495   1.116  -9.277
  142    H    CYS  21           H        CYS  21   0.704   0.187  -5.754
  143    HA   CYS  21           HA       CYS  21   0.198  -2.284  -6.997
  144   1HB   CYS  21          1HB       CYS  21  -0.374  -1.191  -4.572
  145   2HB   CYS  21          2HB       CYS  21  -1.943  -1.093  -5.346
  146    H    GLY  22           H        GLY  22  -0.803   1.043  -7.532
  147   1HA   GLY  22          1HA       GLY  22  -2.109   0.424  -9.962
  148   2HA   GLY  22          2HA       GLY  22  -2.058   1.976  -9.151
  149    H    TYR  23           H        TYR  23  -3.753   2.615  -7.724
  150    HA   TYR  23           HA       TYR  23  -6.158   0.975  -8.021
  151   1HB   TYR  23          1HB       TYR  23  -4.640   1.910  -5.559
  152   2HB   TYR  23          2HB       TYR  23  -6.389   1.968  -5.464
  153    HD1  TYR  23           HD1      TYR  23  -7.609  -0.286  -6.244
  154    HD2  TYR  23           HD2      TYR  23  -3.564  -0.032  -4.873
  155    HE1  TYR  23           HE1      TYR  23  -7.651  -2.755  -5.640
  156    HE2  TYR  23           HE2      TYR  23  -3.620  -2.501  -4.272
  157    HH   TYR  23           HH       TYR  23  -4.902  -4.513  -5.054
  158    HA   PRO  24           HA       PRO  24  -7.924   4.858  -8.758
  159   1HB   PRO  24          1HB       PRO  24 -10.575   4.281  -8.429
  160   2HB   PRO  24          2HB       PRO  24  -9.690   3.915  -9.896
  161   1HG   PRO  24          1HG       PRO  24 -10.577   2.075  -7.759
  162   2HG   PRO  24          2HG       PRO  24 -10.083   1.698  -9.397
  163   1HD   PRO  24          1HD       PRO  24  -8.532   1.337  -7.012
  164   2HD   PRO  24          2HD       PRO  24  -7.998   1.070  -8.659
  165    H    HIS  25           H        HIS  25 -10.104   3.626  -6.284
  166    HA   HIS  25           HA       HIS  25  -9.754   6.141  -4.908
  167   1HB   HIS  25          1HB       HIS  25 -11.673   5.504  -3.621
  168   2HB   HIS  25          2HB       HIS  25 -12.006   5.206  -5.315
  169    HD1  HIS  25           HD1      HIS  25 -13.752   3.716  -3.394
  170    HD2  HIS  25           HD2      HIS  25 -10.056   2.202  -4.676
  171    HE1  HIS  25           HE1      HIS  25 -13.853   1.191  -3.041
  172    HE2  HIS  25           HE2      HIS  25 -11.575   0.310  -3.897
  173    H    VAL  26           H        VAL  26  -7.557   5.918  -4.179
  174    HA   VAL  26           HA       VAL  26  -7.074   3.711  -2.334
  175    HB   VAL  26           HB       VAL  26  -4.738   4.558  -2.419
  176   1HG1  VAL  26          1HG1      VAL  26  -6.019   3.908  -5.096
  177   2HG1  VAL  26          2HG1      VAL  26  -4.284   3.780  -4.719
  178   3HG1  VAL  26          3HG1      VAL  26  -5.457   2.737  -3.879
  179   1HG2  VAL  26          1HG2      VAL  26  -5.823   6.904  -3.326
  180   2HG2  VAL  26          2HG2      VAL  26  -4.107   6.450  -3.468
  181   3HG2  VAL  26          3HG2      VAL  26  -5.215   6.182  -4.835
  182    H    THR  27           H        THR  27  -6.798   3.990  -0.129
  183    HA   THR  27           HA       THR  27  -6.596   6.670   0.938
  184    HB   THR  27           HB       THR  27  -8.720   6.744   1.956
  185    HG1  THR  27           HG1      THR  27  -9.812   4.702   2.404
  186   1HG2  THR  27          1HG2      THR  27  -9.152   4.973  -0.508
  187   2HG2  THR  27          2HG2      THR  27 -10.459   5.784   0.388
  188   3HG2  THR  27          3HG2      THR  27  -9.231   6.751  -0.464
  189    HA   PRO  28           HA       PRO  28  -4.624   4.622   4.158
  190   1HB   PRO  28          1HB       PRO  28  -5.371   5.935   6.436
  191   2HB   PRO  28          2HB       PRO  28  -4.181   6.564   5.313
  192   1HG   PRO  28          1HG       PRO  28  -6.984   7.413   5.712
  193   2HG   PRO  28          2HG       PRO  28  -5.677   8.277   4.928
  194   1HD   PRO  28          1HD       PRO  28  -7.841   6.903   3.641
  195   2HD   PRO  28          2HD       PRO  28  -6.472   7.666   2.858
  196    H    LYS  29           H        LYS  29  -6.897   3.239   3.275
  197    HA   LYS  29           HA       LYS  29  -7.095   1.363   5.300
  198   1HB   LYS  29          1HB       LYS  29  -8.429   3.421   6.260
  199   2HB   LYS  29          2HB       LYS  29  -9.695   2.862   5.185
  200   1HG   LYS  29          1HG       LYS  29  -8.649   0.538   6.505
  201   2HG   LYS  29          2HG       LYS  29  -8.873   1.761   7.740
  202   1HD   LYS  29          1HD       LYS  29 -11.210   2.060   6.311
  203   2HD   LYS  29          2HD       LYS  29 -10.910   0.349   6.075
  204   1HE   LYS  29          1HE       LYS  29 -10.534   0.225   8.648
  205   2HE   LYS  29          2HE       LYS  29 -11.232   1.831   8.717
  206   1HZ   LYS  29          1HZ       LYS  29 -12.576  -0.436   7.426
  207   2HZ   LYS  29          2HZ       LYS  29 -12.824  -0.016   8.984
  208   3HZ   LYS  29          3HZ       LYS  29 -13.222   1.020   7.786
  209    H    GLU  30           H        GLU  30  -8.984   3.041   2.703
  210    HA   GLU  30           HA       GLU  30 -10.181   0.682   1.815
  211   1HB   GLU  30          1HB       GLU  30 -11.159   2.848   1.300
  212   2HB   GLU  30          2HB       GLU  30  -9.709   3.373   0.467
  213   1HG   GLU  30          1HG       GLU  30 -10.302   2.318  -1.467
  214   2HG   GLU  30          2HG       GLU  30 -10.730   0.839  -0.630
  215    H    CYS  31           H        CYS  31  -7.222   2.494   0.816
  216    HA   CYS  31           HA       CYS  31  -6.653   0.895  -1.401
  217   1HB   CYS  31          1HB       CYS  31  -5.497   2.850  -1.476
  218   2HB   CYS  31          2HB       CYS  31  -5.194   2.884   0.250
  219    H    ASN  32           H        ASN  32  -6.017   0.646   2.113
  220    HA   ASN  32           HA       ASN  32  -4.297  -1.612   1.708
  221   1HB   ASN  32          1HB       ASN  32  -3.677  -0.174   3.548
  222   2HB   ASN  32          2HB       ASN  32  -5.320  -0.102   4.152
  223   2HD2  ASN  32          2HD2      ASN  32  -5.571  -1.155   5.955
  224   1HD2  ASN  32          1HD2      ASN  32  -4.841  -2.657   6.413
  225    H    ASN  33           H        ASN  33  -7.590  -1.065   1.584
  226    HA   ASN  33           HA       ASN  33  -8.326  -3.403   3.109
  227   1HB   ASN  33          1HB       ASN  33  -9.773  -1.427   3.352
  228   2HB   ASN  33          2HB       ASN  33  -9.954  -1.285   1.615
  229   2HD2  ASN  33          2HD2      ASN  33 -11.831  -1.914   0.909
  230   1HD2  ASN  33          1HD2      ASN  33 -12.805  -3.216   1.507
  231    H    ARG  34           H        ARG  34  -8.189  -2.048  -0.226
  232    HA   ARG  34           HA       ARG  34  -9.593  -4.069  -1.477
  233   1HB   ARG  34          1HB       ARG  34  -8.515  -1.698  -2.279
  234   2HB   ARG  34          2HB       ARG  34  -7.295  -2.775  -2.930
  235   1HG   ARG  34          1HG       ARG  34 -10.290  -3.074  -3.455
  236   2HG   ARG  34          2HG       ARG  34  -9.183  -2.257  -4.541
  237   1HD   ARG  34          1HD       ARG  34  -7.798  -4.516  -4.415
  238   2HD   ARG  34          2HD       ARG  34  -9.301  -5.206  -3.835
  239    HE   ARG  34           HE       ARG  34  -9.816  -3.637  -6.193
  240   1HH1  ARG  34          1HH1      ARG  34  -8.377  -6.687  -5.189
  241   2HH1  ARG  34          2HH1      ARG  34  -8.680  -7.475  -6.701
  242   1HH2  ARG  34          1HH2      ARG  34 -10.217  -4.676  -8.188
  243   2HH2  ARG  34          2HH2      ARG  34  -9.734  -6.323  -8.419
  244    H    GLY  35           H        GLY  35  -6.299  -3.872  -0.219
  245   1HA   GLY  35          1HA       GLY  35  -5.690  -6.499  -1.442
  246   2HA   GLY  35          2HA       GLY  35  -5.329  -6.093   0.224
  247    H    CYS  36           H        CYS  36  -3.872  -4.116   0.592
  248    HA   CYS  36           HA       CYS  36  -1.473  -4.474  -0.639
  249   1HB   CYS  36          1HB       CYS  36  -3.173  -3.152  -2.435
  250   2HB   CYS  36          2HB       CYS  36  -2.139  -1.896  -1.783
  251    H    CYS  37           H        CYS  37  -0.589  -1.657  -0.636
  252    HA   CYS  37           HA       CYS  37  -1.214  -0.977   2.147
  253   1HB   CYS  37          1HB       CYS  37   1.405  -1.223   0.745
  254   2HB   CYS  37          2HB       CYS  37   1.227   0.075   1.908
  255    H    PHE  38           H        PHE  38  -1.230   1.358   2.599
  256    HA   PHE  38           HA       PHE  38  -1.575   2.935   0.145
  257   1HB   PHE  38          1HB       PHE  38  -3.670   2.604   1.428
  258   2HB   PHE  38          2HB       PHE  38  -2.860   2.980   2.935
  259    HD1  PHE  38           HD1      PHE  38  -4.145   4.416  -0.204
  260    HD2  PHE  38           HD2      PHE  38  -2.552   5.241   3.642
  261    HE1  PHE  38           HE1      PHE  38  -4.821   6.822  -0.440
  262    HE2  PHE  38           HE2      PHE  38  -3.228   7.647   3.406
  263    HZ   PHE  38           HZ       PHE  38  -4.354   8.409   1.368
  264    H    ASP  39           H        ASP  39  -1.370   5.433   0.723
  265    HA   ASP  39           HA       ASP  39   0.223   6.194   2.834
  266   1HB   ASP  39          1HB       ASP  39   2.010   4.886   1.745
  267   2HB   ASP  39          2HB       ASP  39   1.720   5.698   0.219
  268    H    SER  40           H        SER  40   0.452   8.536   2.781
  269    HA   SER  40           HA       SER  40  -0.405   9.778   0.295
  270   1HB   SER  40          1HB       SER  40  -1.882  11.305   1.499
  271   2HB   SER  40          2HB       SER  40  -2.347   9.654   1.859
  272    HG   SER  40           HG       SER  40  -1.851  11.520   3.634
  273    H    ARG  41           H        ARG  41   2.182   9.301   1.996
  274    HA   ARG  41           HA       ARG  41   2.947  11.660   3.146
  275   1HB   ARG  41          1HB       ARG  41   4.095   9.212   2.849
  276   2HB   ARG  41          2HB       ARG  41   5.011  10.073   1.629
  277   1HG   ARG  41          1HG       ARG  41   4.735  11.539   4.207
  278   2HG   ARG  41          2HG       ARG  41   5.624  10.034   4.328
  279   1HD   ARG  41          1HD       ARG  41   7.163  10.753   2.524
  280   2HD   ARG  41          2HD       ARG  41   6.233  12.217   2.276
  281    HE   ARG  41           HE       ARG  41   7.148  11.898   5.040
  282   1HH1  ARG  41          1HH1      ARG  41   8.013  13.085   1.842
  283   2HH1  ARG  41          2HH1      ARG  41   9.192  14.206   2.437
  284   1HH2  ARG  41          1HH2      ARG  41   8.703  13.377   5.826
  285   2HH2  ARG  41          2HH2      ARG  41   9.587  14.373   4.718
  286    H    ILE  42           H        ILE  42   3.493  10.443  -0.238
  287    HA   ILE  42           HA       ILE  42   3.599  13.211  -1.124
  288    HB   ILE  42           HB       ILE  42   5.603  12.114  -2.618
  289   1HG1  ILE  42          1HG1      ILE  42   7.206  11.118  -1.011
  290   2HG1  ILE  42          2HG1      ILE  42   5.956  11.095   0.216
  291   1HG2  ILE  42          1HG2      ILE  42   5.283  14.129  -0.558
  292   2HG2  ILE  42          2HG2      ILE  42   6.905  13.397  -0.506
  293   3HG2  ILE  42          3HG2      ILE  42   6.308  14.132  -2.013
  294   1HD1  ILE  42          1HD1      ILE  42   5.102   9.876  -2.348
  295   2HD1  ILE  42          2HD1      ILE  42   6.462   9.038  -1.563
  296   3HD1  ILE  42          3HD1      ILE  42   4.930   9.264  -0.685
  297    HA   PRO  43           HA       PRO  43   1.149  11.359  -4.178
  298   1HB   PRO  43          1HB       PRO  43   0.822  13.516  -5.824
  299   2HB   PRO  43          2HB       PRO  43  -0.141  13.256  -4.382
  300   1HG   PRO  43          1HG       PRO  43   2.071  15.170  -4.814
  301   2HG   PRO  43          2HG       PRO  43   0.839  15.178  -3.568
  302   1HD   PRO  43          1HD       PRO  43   3.576  14.375  -3.270
  303   2HD   PRO  43          2HD       PRO  43   2.317  14.275  -2.056
  304    H    GLY  44           H        GLY  44   3.998  13.154  -5.121
  305   1HA   GLY  44          1HA       GLY  44   5.640  12.536  -6.551
  306   2HA   GLY  44          2HA       GLY  44   4.326  12.489  -7.710
  307    H    VAL  45           H        VAL  45   4.484  10.284  -4.900
  308    HA   VAL  45           HA       VAL  45   5.328   8.131  -6.699
  309    HB   VAL  45           HB       VAL  45   6.323   7.137  -4.933
  310   1HG1  VAL  45          1HG1      VAL  45   6.161  10.023  -4.003
  311   2HG1  VAL  45          2HG1      VAL  45   7.297   8.812  -3.360
  312   3HG1  VAL  45          3HG1      VAL  45   7.391   9.302  -5.069
  313   1HG2  VAL  45          1HG2      VAL  45   4.122   8.305  -3.218
  314   2HG2  VAL  45          2HG2      VAL  45   4.456   6.597  -3.592
  315   3HG2  VAL  45          3HG2      VAL  45   5.549   7.504  -2.519
  316    HA   PRO  46           HA       PRO  46   1.479   6.186  -6.367
  317   1HB   PRO  46          1HB       PRO  46   2.025   3.536  -5.983
  318   2HB   PRO  46          2HB       PRO  46   2.154   4.324  -7.542
  319   1HG   PRO  46          1HG       PRO  46   4.313   3.482  -5.706
  320   2HG   PRO  46          2HG       PRO  46   4.412   3.870  -7.412
  321   1HD   PRO  46          1HD       PRO  46   5.231   5.534  -5.224
  322   2HD   PRO  46          2HD       PRO  46   5.222   5.965  -6.922
  323    H    TRP  47           H        TRP  47   0.539   7.263  -4.628
  324    HA   TRP  47           HA       TRP  47   0.959   6.969  -2.040
  325   1HB   TRP  47          1HB       TRP  47  -1.540   7.254  -3.631
  326   2HB   TRP  47          2HB       TRP  47  -1.707   6.901  -1.923
  327    HD1  TRP  47           HD1      TRP  47   1.181   9.170  -3.083
  328    HE1  TRP  47           HE1      TRP  47   0.856  11.647  -2.231
  329    HE3  TRP  47           HE3      TRP  47  -3.522   8.488  -1.273
  330    HZ2  TRP  47           HZ2      TRP  47  -1.283  13.012  -0.926
  331    HZ3  TRP  47           HZ3      TRP  47  -4.658  10.444  -0.225
  332    HH2  TRP  47           HH2      TRP  47  -3.615  12.647  -0.036
  333    H    CYS  48           H        CYS  48  -1.025   4.658  -4.030
  334    HA   CYS  48           HA       CYS  48  -0.927   2.780  -1.822
  335   1HB   CYS  48          1HB       CYS  48  -3.026   3.347  -3.197
  336   2HB   CYS  48          2HB       CYS  48  -2.317   2.362  -4.462
  337    H    PHE  49           H        PHE  49   0.886   1.493  -1.739
  338    HA   PHE  49           HA       PHE  49   1.865   0.445  -4.294
  339   1HB   PHE  49          1HB       PHE  49   4.177   0.650  -3.086
  340   2HB   PHE  49          2HB       PHE  49   3.462   2.150  -3.640
  341    HD1  PHE  49           HD1      PHE  49   3.609  -0.019  -0.610
  342    HD2  PHE  49           HD2      PHE  49   3.262   3.917  -2.157
  343    HE1  PHE  49           HE1      PHE  49   3.748   0.908   1.719
  344    HE2  PHE  49           HE2      PHE  49   3.401   4.844   0.172
  345    HZ   PHE  49           HZ       PHE  49   3.642   3.329   2.082
  346    H    LYS  50           H        LYS  50   3.210  -1.577  -4.003
  347    HA   LYS  50           HA       LYS  50   1.816  -3.389  -2.373
  348   1HB   LYS  50          1HB       LYS  50   4.376  -3.592  -3.974
  349   2HB   LYS  50          2HB       LYS  50   3.695  -4.948  -3.098
  350   1HG   LYS  50          1HG       LYS  50   1.480  -3.932  -4.477
  351   2HG   LYS  50          2HG       LYS  50   2.788  -3.694  -5.620
  352   1HD   LYS  50          1HD       LYS  50   3.237  -6.283  -4.570
  353   2HD   LYS  50          2HD       LYS  50   1.498  -6.192  -4.770
  354   1HE   LYS  50          1HE       LYS  50   2.459  -5.023  -7.131
  355   2HE   LYS  50          2HE       LYS  50   3.619  -6.301  -6.828
  356   1HZ   LYS  50          1HZ       LYS  50   0.727  -6.768  -6.724
  357   2HZ   LYS  50          2HZ       LYS  50   1.593  -6.934  -8.099
  358   3HZ   LYS  50          3HZ       LYS  50   1.917  -7.883  -6.810
  359    HA   PRO  51           HA       PRO  51   4.053  -3.272   1.316
  360   1HB   PRO  51          1HB       PRO  51   4.094  -5.876   2.144
  361   2HB   PRO  51          2HB       PRO  51   2.694  -4.836   2.319
  362   1HG   PRO  51          1HG       PRO  51   3.146  -7.025   0.384
  363   2HG   PRO  51          2HG       PRO  51   1.636  -6.273   0.857
  364   1HD   PRO  51          1HD       PRO  51   3.089  -5.826  -1.576
  365   2HD   PRO  51          2HD       PRO  51   1.641  -4.989  -1.051
  366    H    LEU  52           H        LEU  52   6.090  -2.610   1.512
  367    HA   LEU  52           HA       LEU  52   8.144  -3.270  -0.001
  368   1HB   LEU  52          1HB       LEU  52   8.313  -1.621   1.707
  369   2HB   LEU  52          2HB       LEU  52   8.114  -2.811   2.978
  370    HG   LEU  52           HG       LEU  52  10.492  -2.664   1.104
  371   1HD1  LEU  52          1HD1      LEU  52   9.848  -1.062   3.375
  372   2HD1  LEU  52          2HD1      LEU  52  11.206  -2.130   3.806
  373   3HD1  LEU  52          3HD1      LEU  52  11.328  -1.063   2.386
  374   1HD2  LEU  52          1HD2      LEU  52   9.602  -4.642   3.088
  375   2HD2  LEU  52          2HD2      LEU  52  10.759  -4.793   1.744
  376   3HD2  LEU  52          3HD2      LEU  52  11.284  -4.098   3.297
  377    H    GLN  53           H        GLN  53   9.493  -4.965  -0.463
  378    HA   GLN  53           HA       GLN  53   8.668  -7.501   0.321
  379   1HB   GLN  53          1HB       GLN  53  10.798  -8.244  -0.830
  380   2HB   GLN  53          2HB       GLN  53   9.771  -7.209  -1.803
  381   1HG   GLN  53          1HG       GLN  53  11.735  -5.716  -0.148
  382   2HG   GLN  53          2HG       GLN  53  12.476  -6.785  -1.323
  383   2HE2  GLN  53          2HE2      GLN  53  11.229  -3.772  -0.794
  384   1HE2  GLN  53          1HE2      GLN  53  10.932  -3.247  -2.417
  385    H    GLU  54           H        GLU  54   8.641  -7.192   2.721
  386    HA   GLU  54           HA       GLU  54  10.839  -6.606   4.209
  387   1HB   GLU  54          1HB       GLU  54   9.685  -7.693   6.063
  388   2HB   GLU  54          2HB       GLU  54   8.505  -6.862   5.068
  389   1HG   GLU  54          1HG       GLU  54   7.376  -8.836   4.993
  390   2HG   GLU  54          2HG       GLU  54   8.610  -9.381   3.875
  391    H    ALA  55           H        ALA  55  12.835  -7.492   3.693
  392    HA   ALA  55           HA       ALA  55  13.133 -10.313   4.269
  393   1HB   ALA  55          1HB       ALA  55  12.801 -10.634   1.980
  394   2HB   ALA  55          2HB       ALA  55  14.567 -10.423   2.067
  395   3HB   ALA  55          3HB       ALA  55  13.533  -9.069   1.550
  396    H    GLU  56           H        GLU  56  15.036  -7.674   2.642
  397    HA   GLU  56           HA       GLU  56  16.754  -7.682   4.982
  398   1HB   GLU  56          1HB       GLU  56  17.523  -8.363   2.161
  399   2HB   GLU  56          2HB       GLU  56  18.649  -7.375   3.071
  400   1HG   GLU  56          1HG       GLU  56  17.663  -9.582   4.723
  401   2HG   GLU  56          2HG       GLU  56  18.332 -10.194   3.223
  402    H    CYS  57           H        CYS  57  18.643  -5.803   4.219
  403    HA   CYS  57           HA       CYS  57  17.275  -3.435   4.515
  404   1HB   CYS  57          1HB       CYS  57  20.068  -4.132   3.678
  405   2HB   CYS  57          2HB       CYS  57  19.531  -2.466   3.590
  406    H    THR  58           H        THR  58  16.767  -1.715   3.004
  407    HA   THR  58           HA       THR  58  15.728  -2.551   0.564
  408    HB   THR  58           HB       THR  58  15.505  -0.060   0.203
  409    HG1  THR  58           HG1      THR  58  17.333   0.848   1.131
  410   1HG2  THR  58          1HG2      THR  58  14.350  -1.540   2.295
  411   2HG2  THR  58          2HG2      THR  58  15.044  -0.125   3.123
  412   3HG2  THR  58          3HG2      THR  58  13.869   0.103   1.805
  413    H    PHE  59           H        PHE  59  18.726  -0.588   1.152
  414    HA   PHE  59           HA       PHE  59  19.513  -0.592  -1.509
  415   1HB   PHE  59          1HB       PHE  59  20.436   0.894   0.255
  416   2HB   PHE  59          2HB       PHE  59  20.988  -0.485   1.185
  417    HD1  PHE  59           HD1      PHE  59  21.457   1.029  -2.198
  418    HD2  PHE  59           HD2      PHE  59  23.217  -1.066   1.046
  419    HE1  PHE  59           HE1      PHE  59  23.696   1.167  -3.323
  420    HE2  PHE  59           HE2      PHE  59  25.456  -0.927  -0.079
  421    HZ   PHE  59           HZ       PHE  59  25.669   0.187  -2.251

  No H/Q in entry =         421
  Start of MODEL   10
    1    H    GLU   1           H        GLU   1  10.747 -13.096  18.553
    2    HA   GLU   1           HA       GLU   1  11.228 -12.552  16.034
    3   1HB   GLU   1          1HB       GLU   1   8.732 -13.749  17.278
    4   2HB   GLU   1          2HB       GLU   1   8.921 -13.677  15.537
    5   1HG   GLU   1          1HG       GLU   1  10.826 -15.108  15.553
    6   2HG   GLU   1          2HG       GLU   1  11.144 -14.827  17.253
    7    H    GLU   2           H        GLU   2   9.339 -11.997  14.264
    8    HA   GLU   2           HA       GLU   2   8.650  -9.266  14.922
    9   1HB   GLU   2          1HB       GLU   2   9.176 -10.801  12.405
   10   2HB   GLU   2          2HB       GLU   2   8.012  -9.496  12.286
   11   1HG   GLU   2          1HG       GLU   2   9.590  -7.842  12.774
   12   2HG   GLU   2          2HG       GLU   2  10.577  -8.913  13.749
   13    H    TYR   3           H        TYR   3   6.486  -8.630  13.436
   14    HA   TYR   3           HA       TYR   3   4.425 -10.431  14.501
   15   1HB   TYR   3          1HB       TYR   3   4.754  -7.879  15.118
   16   2HB   TYR   3          2HB       TYR   3   4.234  -7.538  13.479
   17    HD1  TYR   3           HD1      TYR   3   1.903  -8.049  12.768
   18    HD2  TYR   3           HD2      TYR   3   3.179  -8.548  16.821
   19    HE1  TYR   3           HE1      TYR   3  -0.521  -8.122  13.530
   20    HE2  TYR   3           HE2      TYR   3   0.750  -8.619  17.569
   21    HH   TYR   3           HH       TYR   3  -1.794  -9.030  15.394
   22    H    VAL   4           H        VAL   4   5.346  -8.408  11.639
   23    HA   VAL   4           HA       VAL   4   4.964  -8.722   9.477
   24    HB   VAL   4           HB       VAL   4   3.595 -11.327  10.150
   25   1HG1  VAL   4          1HG1      VAL   4   4.041  -9.977   7.719
   26   2HG1  VAL   4          2HG1      VAL   4   5.232 -11.299   7.763
   27   3HG1  VAL   4          3HG1      VAL   4   3.498 -11.656   7.945
   28   1HG2  VAL   4          1HG2      VAL   4   5.858 -11.112  11.246
   29   2HG2  VAL   4          2HG2      VAL   4   5.706 -12.451  10.082
   30   3HG2  VAL   4          3HG2      VAL   4   6.557 -10.959   9.616
   31    H    GLY   5           H        GLY   5   3.457  -6.883  10.502
   32   1HA   GLY   5          1HA       GLY   5   0.631  -7.513  10.335
   33   2HA   GLY   5          2HA       GLY   5   1.255  -6.551   9.010
   34    H    LEU   6           H        LEU   6   2.822  -6.294  12.170
   35    HA   LEU   6           HA       LEU   6   1.192  -4.132  13.073
   36   1HB   LEU   6          1HB       LEU   6   2.207  -4.464  15.014
   37   2HB   LEU   6          2HB       LEU   6   2.814  -5.933  14.276
   38    HG   LEU   6           HG       LEU   6   4.782  -4.305  13.501
   39   1HD1  LEU   6          1HD1      LEU   6   3.657  -2.978  15.978
   40   2HD1  LEU   6          2HD1      LEU   6   5.316  -2.732  15.380
   41   3HD1  LEU   6          3HD1      LEU   6   3.927  -2.255  14.374
   42   1HD2  LEU   6          1HD2      LEU   6   4.337  -6.024  15.852
   43   2HD2  LEU   6          2HD2      LEU   6   5.648  -6.028  14.647
   44   3HD2  LEU   6          3HD2      LEU   6   5.691  -4.879  16.006
   45    H    SER   7           H        SER   7   1.785  -1.899  13.233
   46    HA   SER   7           HA       SER   7   2.503  -0.029  12.393
   47   1HB   SER   7          1HB       SER   7   5.088  -0.023  11.803
   48   2HB   SER   7          2HB       SER   7   4.559  -0.186  13.465
   49    HG   SER   7           HG       SER   7   5.833  -2.049  11.794
   50    H    ALA   8           H        ALA   8   4.142   0.847  10.351
   51    HA   ALA   8           HA       ALA   8   2.826  -0.333   8.043
   52   1HB   ALA   8          1HB       ALA   8   4.376   1.844   7.221
   53   2HB   ALA   8          2HB       ALA   8   3.832   2.294   8.855
   54   3HB   ALA   8          3HB       ALA   8   2.638   1.870   7.605
   55    H    ASN   9           H        ASN   9   5.029  -1.726   9.565
   56    HA   ASN   9           HA       ASN   9   7.463  -1.529   8.499
   57   1HB   ASN   9          1HB       ASN   9   6.291  -3.319  10.143
   58   2HB   ASN   9          2HB       ASN   9   6.266  -4.304   8.694
   59   2HD2  ASN   9          2HD2      ASN   9   8.362  -2.323  10.748
   60   1HD2  ASN   9          1HD2      ASN   9   9.831  -3.205  10.494
   61    H    GLN  10           H        GLN  10   4.559  -3.192   7.117
   62    HA   GLN  10           HA       GLN  10   5.980  -4.134   4.859
   63   1HB   GLN  10          1HB       GLN  10   2.991  -3.879   4.798
   64   2HB   GLN  10          2HB       GLN  10   4.004  -5.216   4.291
   65   1HG   GLN  10          1HG       GLN  10   3.300  -6.187   6.243
   66   2HG   GLN  10          2HG       GLN  10   4.556  -5.209   6.976
   67   2HE2  GLN  10          2HE2      GLN  10   3.575  -4.925   8.912
   68   1HE2  GLN  10          1HE2      GLN  10   2.142  -3.985   9.164
   69    H    CYS  11           H        CYS  11   4.180  -1.210   5.734
   70    HA   CYS  11           HA       CYS  11   4.426  -0.305   2.960
   71   1HB   CYS  11          1HB       CYS  11   2.745   1.208   4.884
   72   2HB   CYS  11          2HB       CYS  11   2.531   0.934   3.166
   73    H    ALA  12           H        ALA  12   6.756  -0.399   4.525
   74    HA   ALA  12           HA       ALA  12   7.084   2.406   5.348
   75   1HB   ALA  12          1HB       ALA  12   9.095   1.343   6.626
   76   2HB   ALA  12          2HB       ALA  12   7.454   1.113   7.276
   77   3HB   ALA  12          3HB       ALA  12   8.242  -0.197   6.364
   78    H    VAL  13           H        VAL  13   7.145   2.159   2.689
   79    HA   VAL  13           HA       VAL  13   9.894   1.570   1.916
   80    HB   VAL  13           HB       VAL  13   7.947   2.482  -0.098
   81   1HG1  VAL  13          1HG1      VAL  13  10.227   0.647   0.164
   82   2HG1  VAL  13          2HG1      VAL  13   8.898  -0.006  -0.824
   83   3HG1  VAL  13          3HG1      VAL  13   9.640   1.556  -1.249
   84   1HG2  VAL  13          1HG2      VAL  13   7.406   0.093   1.655
   85   2HG2  VAL  13          2HG2      VAL  13   6.279   1.326   1.040
   86   3HG2  VAL  13          3HG2      VAL  13   6.924   0.083  -0.058
   87    HA   PRO  14           HA       PRO  14  10.900   5.770   1.753
   88   1HB   PRO  14          1HB       PRO  14  12.986   5.751  -0.013
   89   2HB   PRO  14          2HB       PRO  14  13.153   5.302   1.672
   90   1HG   PRO  14          1HG       PRO  14  13.091   3.557  -0.713
   91   2HG   PRO  14          2HG       PRO  14  13.671   3.191   0.899
   92   1HD   PRO  14          1HD       PRO  14  11.185   2.353  -0.260
   93   2HD   PRO  14          2HD       PRO  14  11.715   2.086   1.389
   94    H    ALA  15           H        ALA  15   9.227   4.297  -0.569
   95    HA   ALA  15           HA       ALA  15   7.800   5.254  -2.021
   96   1HB   ALA  15          1HB       ALA  15   8.667   7.501  -0.693
   97   2HB   ALA  15          2HB       ALA  15   7.484   7.502  -2.023
   98   3HB   ALA  15          3HB       ALA  15   9.199   7.841  -2.358
   99    H    LYS  16           H        LYS  16  11.289   5.244  -2.194
  100    HA   LYS  16           HA       LYS  16  11.256   5.455  -5.092
  101   1HB   LYS  16          1HB       LYS  16  13.696   5.445  -4.889
  102   2HB   LYS  16          2HB       LYS  16  12.971   6.689  -3.892
  103   1HG   LYS  16          1HG       LYS  16  14.684   5.576  -2.571
  104   2HG   LYS  16          2HG       LYS  16  13.123   5.142  -1.903
  105   1HD   LYS  16          1HD       LYS  16  13.247   2.934  -2.657
  106   2HD   LYS  16          2HD       LYS  16  14.240   3.343  -4.041
  107   1HE   LYS  16          1HE       LYS  16  16.217   3.194  -2.851
  108   2HE   LYS  16          2HE       LYS  16  15.513   3.847  -1.385
  109   1HZ   LYS  16          1HZ       LYS  16  14.331   1.695  -1.173
  110   2HZ   LYS  16          2HZ       LYS  16  15.225   1.113  -2.410
  111   3HZ   LYS  16          3HZ       LYS  16  15.954   1.584  -1.026
  112    H    ASP  17           H        ASP  17  10.330   3.141  -3.007
  113    HA   ASP  17           HA       ASP  17  11.451   1.069  -4.719
  114   1HB   ASP  17          1HB       ASP  17  11.762   1.389  -1.871
  115   2HB   ASP  17          2HB       ASP  17  10.725   0.000  -2.128
  116    H    ARG  18           H        ARG  18   8.853   2.741  -4.562
  117    HA   ARG  18           HA       ARG  18   6.889   0.970  -3.590
  118   1HB   ARG  18          1HB       ARG  18   6.437   3.258  -5.557
  119   2HB   ARG  18          2HB       ARG  18   5.295   2.614  -4.394
  120   1HG   ARG  18          1HG       ARG  18   7.924   3.782  -3.432
  121   2HG   ARG  18          2HG       ARG  18   6.600   4.851  -3.849
  122   1HD   ARG  18          1HD       ARG  18   5.329   2.929  -2.272
  123   2HD   ARG  18          2HD       ARG  18   6.901   3.054  -1.508
  124    HE   ARG  18           HE       ARG  18   5.573   5.624  -2.135
  125   1HH1  ARG  18          1HH1      ARG  18   6.268   3.161   0.281
  126   2HH1  ARG  18          2HH1      ARG  18   5.921   4.199   1.624
  127   1HH2  ARG  18          1HH2      ARG  18   5.115   6.993  -0.363
  128   2HH2  ARG  18          2HH2      ARG  18   5.261   6.393   1.255
  129    H    VAL  19           H        VAL  19   5.572  -0.500  -4.750
  130    HA   VAL  19           HA       VAL  19   6.512  -1.075  -7.453
  131    HB   VAL  19           HB       VAL  19   4.731  -2.706  -5.637
  132   1HG1  VAL  19          1HG1      VAL  19   5.835  -3.062  -8.350
  133   2HG1  VAL  19          2HG1      VAL  19   6.077  -4.452  -7.264
  134   3HG1  VAL  19          3HG1      VAL  19   4.435  -3.833  -7.567
  135   1HG2  VAL  19          1HG2      VAL  19   7.743  -2.605  -5.876
  136   2HG2  VAL  19          2HG2      VAL  19   6.734  -2.516  -4.412
  137   3HG2  VAL  19          3HG2      VAL  19   6.890  -4.055  -5.293
  138    H    ASP  20           H        ASP  20   4.189   0.799  -5.936
  139    HA   ASP  20           HA       ASP  20   2.257   1.624  -6.492
  140   1HB   ASP  20          1HB       ASP  20   3.341   2.613  -8.371
  141   2HB   ASP  20          2HB       ASP  20   3.495   1.080  -9.206
  142    H    CYS  21           H        CYS  21   0.639   0.184  -5.738
  143    HA   CYS  21           HA       CYS  21   0.178  -2.309  -6.982
  144   1HB   CYS  21          1HB       CYS  21  -0.387  -1.276  -4.548
  145   2HB   CYS  21          2HB       CYS  21  -1.954  -1.102  -5.313
  146    H    GLY  22           H        GLY  22  -0.841   1.017  -7.496
  147   1HA   GLY  22          1HA       GLY  22  -2.140   0.401  -9.935
  148   2HA   GLY  22          2HA       GLY  22  -2.088   1.953  -9.121
  149    H    TYR  23           H        TYR  23  -3.780   2.587  -7.685
  150    HA   TYR  23           HA       TYR  23  -6.186   0.947  -7.986
  151   1HB   TYR  23          1HB       TYR  23  -4.662   1.879  -5.529
  152   2HB   TYR  23          2HB       TYR  23  -6.410   1.959  -5.430
  153    HD1  TYR  23           HD1      TYR  23  -7.672  -0.273  -6.164
  154    HD2  TYR  23           HD2      TYR  23  -3.598  -0.083  -4.872
  155    HE1  TYR  23           HE1      TYR  23  -7.744  -2.739  -5.550
  156    HE2  TYR  23           HE2      TYR  23  -3.684  -2.550  -4.262
  157    HH   TYR  23           HH       TYR  23  -4.832  -4.426  -4.520
  158    HA   PRO  24           HA       PRO  24  -7.959   4.825  -8.732
  159   1HB   PRO  24          1HB       PRO  24 -10.608   4.248  -8.394
  160   2HB   PRO  24          2HB       PRO  24  -9.727   3.876  -9.862
  161   1HG   PRO  24          1HG       PRO  24 -10.607   2.045  -7.714
  162   2HG   PRO  24          2HG       PRO  24 -10.117   1.660  -9.352
  163   1HD   PRO  24          1HD       PRO  24  -8.559   1.312  -6.969
  164   2HD   PRO  24          2HD       PRO  24  -8.030   1.037  -8.617
  165    H    HIS  25           H        HIS  25 -10.169   3.633  -6.272
  166    HA   HIS  25           HA       HIS  25  -9.810   6.145  -4.904
  167   1HB   HIS  25          1HB       HIS  25 -11.717   5.498  -3.598
  168   2HB   HIS  25          2HB       HIS  25 -12.058   5.203  -5.292
  169    HD1  HIS  25           HD1      HIS  25 -13.825   3.689  -3.462
  170    HD2  HIS  25           HD2      HIS  25 -10.057   2.217  -4.573
  171    HE1  HIS  25           HE1      HIS  25 -13.904   1.166  -3.089
  172    HE2  HIS  25           HE2      HIS  25 -11.581   0.311  -3.840
  173    H    VAL  26           H        VAL  26  -7.576   5.885  -4.235
  174    HA   VAL  26           HA       VAL  26  -7.076   3.709  -2.370
  175    HB   VAL  26           HB       VAL  26  -4.752   4.604  -2.451
  176   1HG1  VAL  26          1HG1      VAL  26  -6.045   3.894  -5.106
  177   2HG1  VAL  26          2HG1      VAL  26  -4.298   3.844  -4.770
  178   3HG1  VAL  26          3HG1      VAL  26  -5.405   2.760  -3.893
  179   1HG2  VAL  26          1HG2      VAL  26  -5.525   6.960  -3.079
  180   2HG2  VAL  26          2HG2      VAL  26  -4.101   6.325  -3.938
  181   3HG2  VAL  26          3HG2      VAL  26  -5.689   6.346  -4.742
  182    H    THR  27           H        THR  27  -6.838   3.974  -0.165
  183    HA   THR  27           HA       THR  27  -6.649   6.648   0.923
  184    HB   THR  27           HB       THR  27  -8.775   6.682   1.966
  185    HG1  THR  27           HG1      THR  27  -9.934   4.569   2.139
  186   1HG2  THR  27          1HG2      THR  27  -9.210   5.033  -0.581
  187   2HG2  THR  27          2HG2      THR  27 -10.502   5.852   0.329
  188   3HG2  THR  27          3HG2      THR  27  -9.233   6.810  -0.472
  189    HA   PRO  28           HA       PRO  28  -4.672   4.577   4.122
  190   1HB   PRO  28          1HB       PRO  28  -5.369   5.928   6.393
  191   2HB   PRO  28          2HB       PRO  28  -4.176   6.520   5.254
  192   1HG   PRO  28          1HG       PRO  28  -6.956   7.435   5.668
  193   2HG   PRO  28          2HG       PRO  28  -5.637   8.261   4.864
  194   1HD   PRO  28          1HD       PRO  28  -7.842   6.922   3.610
  195   2HD   PRO  28          2HD       PRO  28  -6.464   7.648   2.808
  196    H    LYS  29           H        LYS  29  -7.000   3.250   3.274
  197    HA   LYS  29           HA       LYS  29  -7.217   1.397   5.326
  198   1HB   LYS  29          1HB       LYS  29  -8.505   3.497   6.260
  199   2HB   LYS  29          2HB       LYS  29  -9.786   2.946   5.199
  200   1HG   LYS  29          1HG       LYS  29  -8.466   0.863   6.920
  201   2HG   LYS  29          2HG       LYS  29  -9.487   2.029   7.737
  202   1HD   LYS  29          1HD       LYS  29 -11.434   1.310   6.651
  203   2HD   LYS  29          2HD       LYS  29 -10.570   0.755   5.231
  204   1HE   LYS  29          1HE       LYS  29 -10.824  -1.340   6.098
  205   2HE   LYS  29          2HE       LYS  29  -9.527  -0.909   7.194
  206   1HZ   LYS  29          1HZ       LYS  29 -12.321  -0.278   7.803
  207   2HZ   LYS  29          2HZ       LYS  29 -11.653  -1.710   8.210
  208   3HZ   LYS  29          3HZ       LYS  29 -11.053  -0.324   8.830
  209    H    GLU  30           H        GLU  30  -8.834   3.080   2.586
  210    HA   GLU  30           HA       GLU  30 -10.144   0.707   1.766
  211   1HB   GLU  30          1HB       GLU  30 -11.050   2.977   1.306
  212   2HB   GLU  30          2HB       GLU  30  -9.669   3.334   0.288
  213   1HG   GLU  30          1HG       GLU  30 -10.913   2.518  -1.436
  214   2HG   GLU  30          2HG       GLU  30 -10.565   0.928  -0.787
  215    H    CYS  31           H        CYS  31  -7.145   2.479   0.881
  216    HA   CYS  31           HA       CYS  31  -6.593   0.853  -1.363
  217   1HB   CYS  31          1HB       CYS  31  -5.536   2.867  -1.530
  218   2HB   CYS  31          2HB       CYS  31  -5.170   2.958   0.182
  219    H    ASN  32           H        ASN  32  -6.076   0.695   2.144
  220    HA   ASN  32           HA       ASN  32  -4.200  -1.470   1.827
  221   1HB   ASN  32          1HB       ASN  32  -3.531  -0.950   3.971
  222   2HB   ASN  32          2HB       ASN  32  -4.424   0.535   3.716
  223   2HD2  ASN  32          2HD2      ASN  32  -3.888  -1.626   5.941
  224   1HD2  ASN  32          1HD2      ASN  32  -5.418  -1.772   6.739
  225    H    ASN  33           H        ASN  33  -7.476  -1.121   1.578
  226    HA   ASN  33           HA       ASN  33  -8.106  -3.445   3.197
  227   1HB   ASN  33          1HB       ASN  33  -9.694  -1.693   3.592
  228   2HB   ASN  33          2HB       ASN  33  -9.758  -1.243   1.899
  229   2HD2  ASN  33          2HD2      ASN  33 -12.011  -1.381   1.959
  230   1HD2  ASN  33          1HD2      ASN  33 -12.855  -2.892   1.901
  231    H    ARG  34           H        ARG  34  -8.261  -2.032  -0.129
  232    HA   ARG  34           HA       ARG  34  -9.602  -4.061  -1.363
  233   1HB   ARG  34          1HB       ARG  34  -8.522  -1.689  -2.170
  234   2HB   ARG  34          2HB       ARG  34  -7.329  -2.772  -2.858
  235   1HG   ARG  34          1HG       ARG  34 -10.337  -3.042  -3.313
  236   2HG   ARG  34          2HG       ARG  34  -9.251  -2.224  -4.418
  237   1HD   ARG  34          1HD       ARG  34  -7.884  -4.518  -4.299
  238   2HD   ARG  34          2HD       ARG  34  -9.417  -5.175  -3.763
  239    HE   ARG  34           HE       ARG  34  -9.695  -3.513  -6.148
  240   1HH1  ARG  34          1HH1      ARG  34  -8.899  -6.740  -4.993
  241   2HH1  ARG  34          2HH1      ARG  34  -9.318  -7.515  -6.485
  242   1HH2  ARG  34          1HH2      ARG  34 -10.247  -4.535  -8.116
  243   2HH2  ARG  34          2HH2      ARG  34 -10.090  -6.253  -8.273
  244    H    GLY  35           H        GLY  35  -6.263  -3.864  -0.204
  245   1HA   GLY  35          1HA       GLY  35  -5.689  -6.485  -1.453
  246   2HA   GLY  35          2HA       GLY  35  -5.307  -6.109   0.215
  247    H    CYS  36           H        CYS  36  -3.830  -4.160   0.607
  248    HA   CYS  36           HA       CYS  36  -1.446  -4.494  -0.627
  249   1HB   CYS  36          1HB       CYS  36  -3.161  -3.157  -2.423
  250   2HB   CYS  36          2HB       CYS  36  -2.068  -1.935  -1.805
  251    H    CYS  37           H        CYS  37  -0.559  -1.683  -0.649
  252    HA   CYS  37           HA       CYS  37  -1.190  -0.977   2.125
  253   1HB   CYS  37          1HB       CYS  37   1.427  -1.204   0.713
  254   2HB   CYS  37          2HB       CYS  37   1.239   0.093   1.876
  255    H    PHE  38           H        PHE  38  -1.187   1.372   2.559
  256    HA   PHE  38           HA       PHE  38  -1.561   2.923   0.093
  257   1HB   PHE  38          1HB       PHE  38  -3.657   2.585   1.372
  258   2HB   PHE  38          2HB       PHE  38  -2.854   2.975   2.879
  259    HD1  PHE  38           HD1      PHE  38  -4.043   4.408  -0.314
  260    HD2  PHE  38           HD2      PHE  38  -2.664   5.219   3.617
  261    HE1  PHE  38           HE1      PHE  38  -4.736   6.807  -0.566
  262    HE2  PHE  38           HE2      PHE  38  -3.358   7.618   3.365
  263    HZ   PHE  38           HZ       PHE  38  -4.386   8.383   1.277
  264    H    ASP  39           H        ASP  39  -1.381   5.428   0.657
  265    HA   ASP  39           HA       ASP  39   0.203   6.214   2.765
  266   1HB   ASP  39          1HB       ASP  39   2.005   4.919   1.689
  267   2HB   ASP  39          2HB       ASP  39   1.706   5.713   0.155
  268    H    SER  40           H        SER  40   0.464   8.563   2.678
  269    HA   SER  40           HA       SER  40  -0.392   9.788   0.189
  270   1HB   SER  40          1HB       SER  40  -1.933  11.282   1.342
  271   2HB   SER  40          2HB       SER  40  -2.370   9.626   1.712
  272    HG   SER  40           HG       SER  40  -2.393  10.823   3.652
  273    H    ARG  41           H        ARG  41   2.155   9.352   1.959
  274    HA   ARG  41           HA       ARG  41   2.840  11.743   3.112
  275   1HB   ARG  41          1HB       ARG  41   4.024   9.300   2.914
  276   2HB   ARG  41          2HB       ARG  41   4.986  10.150   1.722
  277   1HG   ARG  41          1HG       ARG  41   4.582  11.673   4.243
  278   2HG   ARG  41          2HG       ARG  41   5.455  10.169   4.459
  279   1HD   ARG  41          1HD       ARG  41   6.537  11.380   2.102
  280   2HD   ARG  41          2HD       ARG  41   6.390  12.665   3.284
  281    HE   ARG  41           HE       ARG  41   8.070  11.653   4.565
  282   1HH1  ARG  41          1HH1      ARG  41   6.832   9.324   2.236
  283   2HH1  ARG  41          2HH1      ARG  41   8.041   8.135   2.590
  284   1HH2  ARG  41          1HH2      ARG  41   9.666  10.085   5.032
  285   2HH2  ARG  41          2HH2      ARG  41   9.664   8.571   4.191
  286    H    ILE  42           H        ILE  42   3.363  10.490  -0.248
  287    HA   ILE  42           HA       ILE  42   3.569  13.234  -1.164
  288    HB   ILE  42           HB       ILE  42   5.587  12.098  -2.605
  289   1HG1  ILE  42          1HG1      ILE  42   7.147  11.097  -0.959
  290   2HG1  ILE  42          2HG1      ILE  42   5.872  11.098   0.244
  291   1HG2  ILE  42          1HG2      ILE  42   5.375  14.012  -0.349
  292   2HG2  ILE  42          2HG2      ILE  42   7.003  13.398  -0.725
  293   3HG2  ILE  42          3HG2      ILE  42   6.049  14.221  -1.983
  294   1HD1  ILE  42          1HD1      ILE  42   5.104   9.861  -2.352
  295   2HD1  ILE  42          2HD1      ILE  42   6.383   9.004  -1.458
  296   3HD1  ILE  42          3HD1      ILE  42   4.804   9.299  -0.690
  297    HA   PRO  43           HA       PRO  43   1.140  11.348  -4.218
  298   1HB   PRO  43          1HB       PRO  43   0.803  13.502  -5.866
  299   2HB   PRO  43          2HB       PRO  43  -0.167  13.231  -4.432
  300   1HG   PRO  43          1HG       PRO  43   2.028  15.168  -4.846
  301   2HG   PRO  43          2HG       PRO  43   0.786  15.164  -3.609
  302   1HD   PRO  43          1HD       PRO  43   3.529  14.388  -3.291
  303   2HD   PRO  43          2HD       PRO  43   2.262  14.274  -2.086
  304    H    GLY  44           H        GLY  44   3.975  13.177  -5.143
  305   1HA   GLY  44          1HA       GLY  44   5.635  12.574  -6.558
  306   2HA   GLY  44          2HA       GLY  44   4.331  12.517  -7.728
  307    H    VAL  45           H        VAL  45   4.445  10.304  -4.929
  308    HA   VAL  45           HA       VAL  45   5.338   8.163  -6.721
  309    HB   VAL  45           HB       VAL  45   6.334   7.179  -4.953
  310   1HG1  VAL  45          1HG1      VAL  45   6.123  10.064  -4.037
  311   2HG1  VAL  45          2HG1      VAL  45   7.243   8.870  -3.339
  312   3HG1  VAL  45          3HG1      VAL  45   7.394   9.337  -5.050
  313   1HG2  VAL  45          1HG2      VAL  45   4.090   8.296  -3.260
  314   2HG2  VAL  45          2HG2      VAL  45   4.473   6.597  -3.629
  315   3HG2  VAL  45          3HG2      VAL  45   5.528   7.531  -2.541
  316    HA   PRO  46           HA       PRO  46   1.500   6.189  -6.423
  317   1HB   PRO  46          1HB       PRO  46   2.063   3.542  -6.043
  318   2HB   PRO  46          2HB       PRO  46   2.198   4.337  -7.599
  319   1HG   PRO  46          1HG       PRO  46   4.350   3.505  -5.751
  320   2HG   PRO  46          2HG       PRO  46   4.458   3.899  -7.455
  321   1HD   PRO  46          1HD       PRO  46   5.249   5.561  -5.255
  322   2HD   PRO  46          2HD       PRO  46   5.249   5.998  -6.952
  323    H    TRP  47           H        TRP  47   0.554   7.264  -4.681
  324    HA   TRP  47           HA       TRP  47   0.954   6.962  -2.094
  325   1HB   TRP  47          1HB       TRP  47  -1.542   7.224  -3.697
  326   2HB   TRP  47          2HB       TRP  47  -1.709   6.878  -1.987
  327    HD1  TRP  47           HD1      TRP  47   1.167   9.162  -3.142
  328    HE1  TRP  47           HE1      TRP  47   0.819  11.641  -2.307
  329    HE3  TRP  47           HE3      TRP  47  -3.544   8.457  -1.363
  330    HZ2  TRP  47           HZ2      TRP  47  -1.339  12.998  -1.025
  331    HZ3  TRP  47           HZ3      TRP  47  -4.701  10.411  -0.335
  332    HH2  TRP  47           HH2      TRP  47  -3.674  12.622  -0.151
  333    H    CYS  48           H        CYS  48  -1.014   4.645  -4.093
  334    HA   CYS  48           HA       CYS  48  -0.916   2.762  -1.892
  335   1HB   CYS  48          1HB       CYS  48  -2.992   3.330  -3.336
  336   2HB   CYS  48          2HB       CYS  48  -2.261   2.289  -4.541
  337    H    PHE  49           H        PHE  49   0.869   1.444  -1.789
  338    HA   PHE  49           HA       PHE  49   1.894   0.413  -4.329
  339   1HB   PHE  49          1HB       PHE  49   4.197   0.647  -3.112
  340   2HB   PHE  49          2HB       PHE  49   3.470   2.139  -3.677
  341    HD1  PHE  49           HD1      PHE  49   3.620  -0.015  -0.636
  342    HD2  PHE  49           HD2      PHE  49   3.252   3.911  -2.203
  343    HE1  PHE  49           HE1      PHE  49   3.740   0.924   1.689
  344    HE2  PHE  49           HE2      PHE  49   3.371   4.850   0.122
  345    HZ   PHE  49           HZ       PHE  49   3.614   3.345   2.040
  346    H    LYS  50           H        LYS  50   3.272  -1.589  -4.006
  347    HA   LYS  50           HA       LYS  50   1.879  -3.397  -2.356
  348   1HB   LYS  50          1HB       LYS  50   4.470  -3.654  -3.910
  349   2HB   LYS  50          2HB       LYS  50   3.665  -4.989  -3.111
  350   1HG   LYS  50          1HG       LYS  50   1.553  -3.951  -4.517
  351   2HG   LYS  50          2HG       LYS  50   2.870  -3.495  -5.580
  352   1HD   LYS  50          1HD       LYS  50   3.468  -6.158  -4.863
  353   2HD   LYS  50          2HD       LYS  50   1.727  -6.158  -5.068
  354   1HE   LYS  50          1HE       LYS  50   2.611  -4.643  -7.255
  355   2HE   LYS  50          2HE       LYS  50   3.855  -5.867  -7.101
  356   1HZ   LYS  50          1HZ       LYS  50   1.553  -7.236  -6.769
  357   2HZ   LYS  50          2HZ       LYS  50   1.164  -6.156  -7.930
  358   3HZ   LYS  50          3HZ       LYS  50   2.428  -7.167  -8.146
  359    HA   PRO  51           HA       PRO  51   4.157  -3.245   1.306
  360   1HB   PRO  51          1HB       PRO  51   4.227  -5.843   2.150
  361   2HB   PRO  51          2HB       PRO  51   2.821  -4.813   2.334
  362   1HG   PRO  51          1HG       PRO  51   3.269  -7.011   0.408
  363   2HG   PRO  51          2HG       PRO  51   1.758  -6.267   0.892
  364   1HD   PRO  51          1HD       PRO  51   3.180  -5.825  -1.559
  365   2HD   PRO  51          2HD       PRO  51   1.732  -4.996  -1.023
  366    H    LEU  52           H        LEU  52   6.193  -2.599   1.543
  367    HA   LEU  52           HA       LEU  52   8.243  -3.205   0.004
  368   1HB   LEU  52          1HB       LEU  52   8.462  -1.610   1.730
  369   2HB   LEU  52          2HB       LEU  52   8.185  -2.801   2.985
  370    HG   LEU  52           HG       LEU  52  10.599  -2.912   1.171
  371   1HD1  LEU  52          1HD1      LEU  52  10.458  -0.712   2.364
  372   2HD1  LEU  52          2HD1      LEU  52  10.511  -1.608   3.901
  373   3HD1  LEU  52          3HD1      LEU  52  11.885  -1.695   2.772
  374   1HD2  LEU  52          1HD2      LEU  52   9.601  -4.465   3.460
  375   2HD2  LEU  52          2HD2      LEU  52  10.750  -4.908   2.175
  376   3HD2  LEU  52          3HD2      LEU  52  11.309  -3.980   3.587
  377    H    GLN  53           H        GLN  53   9.701  -4.843  -0.429
  378    HA   GLN  53           HA       GLN  53   8.881  -7.416   0.023
  379   1HB   GLN  53          1HB       GLN  53  11.365  -6.091  -0.981
  380   2HB   GLN  53          2HB       GLN  53  11.549  -7.756  -0.467
  381   1HG   GLN  53          1HG       GLN  53  10.782  -8.316  -2.537
  382   2HG   GLN  53          2HG       GLN  53   9.194  -7.886  -1.933
  383   2HE2  GLN  53          2HE2      GLN  53   8.746  -5.454  -1.953
  384   1HE2  GLN  53          1HE2      GLN  53   9.144  -4.599  -3.406
  385    H    GLU  54           H        GLU  54   8.403  -7.738   2.268
  386    HA   GLU  54           HA       GLU  54  10.270  -7.180   4.260
  387   1HB   GLU  54          1HB       GLU  54   8.785  -8.603   5.693
  388   2HB   GLU  54          2HB       GLU  54   7.904  -7.391   4.785
  389   1HG   GLU  54          1HG       GLU  54   8.124  -9.792   3.168
  390   2HG   GLU  54          2HG       GLU  54   7.525 -10.234   4.754
  391    H    ALA  55           H        ALA  55  12.320  -8.059   3.652
  392    HA   ALA  55           HA       ALA  55  12.422 -10.986   3.888
  393   1HB   ALA  55          1HB       ALA  55  14.147 -11.032   2.179
  394   2HB   ALA  55          2HB       ALA  55  12.724 -10.187   1.524
  395   3HB   ALA  55          3HB       ALA  55  14.140  -9.256   2.065
  396    H    GLU  56           H        GLU  56  13.939 -11.765   5.326
  397    HA   GLU  56           HA       GLU  56  16.048 -10.013   6.157
  398   1HB   GLU  56          1HB       GLU  56  14.161  -9.356   7.645
  399   2HB   GLU  56          2HB       GLU  56  13.982 -11.020   8.163
  400   1HG   GLU  56          1HG       GLU  56  16.766 -10.125   8.434
  401   2HG   GLU  56          2HG       GLU  56  15.676  -9.065   9.306
  402    H    CYS  57           H        CYS  57  17.833 -11.302   6.079
  403    HA   CYS  57           HA       CYS  57  19.124 -13.074   6.157
  404   1HB   CYS  57          1HB       CYS  57  18.990 -13.077   8.476
  405   2HB   CYS  57          2HB       CYS  57  17.318 -13.600   8.493
  406    H    THR  58           H        THR  58  18.794 -14.049   4.134
  407    HA   THR  58           HA       THR  58  17.043 -16.379   4.150
  408    HB   THR  58           HB       THR  58  15.599 -14.596   3.262
  409    HG1  THR  58           HG1      THR  58  16.912 -16.025   1.067
  410   1HG2  THR  58          1HG2      THR  58  17.456 -13.020   2.524
  411   2HG2  THR  58          2HG2      THR  58  17.807 -14.142   1.188
  412   3HG2  THR  58          3HG2      THR  58  16.235 -13.310   1.262
  413    H    PHE  59           H        PHE  59  19.446 -14.376   2.340
  414    HA   PHE  59           HA       PHE  59  20.267 -16.470   0.678
  415   1HB   PHE  59          1HB       PHE  59  20.683 -13.996   0.366
  416   2HB   PHE  59          2HB       PHE  59  21.685 -13.979   1.803
  417    HD1  PHE  59           HD1      PHE  59  21.515 -16.067  -1.299
  418    HD2  PHE  59           HD2      PHE  59  23.926 -13.791   1.349
  419    HE1  PHE  59           HE1      PHE  59  23.535 -16.576  -2.700
  420    HE2  PHE  59           HE2      PHE  59  25.945 -14.299  -0.052
  421    HZ   PHE  59           HZ       PHE  59  25.726 -15.686  -2.060

  No H/Q in entry =         421
  Start of MODEL   11
    1    H    GLU   1           H        GLU   1   4.594 -19.119  14.523
    2    HA   GLU   1           HA       GLU   1   5.448 -17.125  16.406
    3   1HB   GLU   1          1HB       GLU   1   6.797 -18.954  17.378
    4   2HB   GLU   1          2HB       GLU   1   5.130 -19.450  17.165
    5   1HG   GLU   1          1HG       GLU   1   5.741 -21.142  15.782
    6   2HG   GLU   1          2HG       GLU   1   6.610 -20.039  14.734
    7    H    GLU   2           H        GLU   2   6.103 -15.859  14.260
    8    HA   GLU   2           HA       GLU   2   8.948 -16.294  14.025
    9   1HB   GLU   2          1HB       GLU   2   7.407 -17.307  12.043
   10   2HB   GLU   2          2HB       GLU   2   7.518 -15.657  11.464
   11   1HG   GLU   2          1HG       GLU   2   9.976 -15.748  11.502
   12   2HG   GLU   2          2HG       GLU   2   9.947 -17.328  12.259
   13    H    TYR   3           H        TYR   3   6.333 -14.265  12.500
   14    HA   TYR   3           HA       TYR   3   7.088 -11.954  13.951
   15   1HB   TYR   3          1HB       TYR   3   8.167 -10.770  12.082
   16   2HB   TYR   3          2HB       TYR   3   8.981 -12.316  12.217
   17    HD1  TYR   3           HD1      TYR   3   8.631 -14.079  10.532
   18    HD2  TYR   3           HD2      TYR   3   6.744 -10.256  10.170
   19    HE1  TYR   3           HE1      TYR   3   8.104 -14.562   8.093
   20    HE2  TYR   3           HE2      TYR   3   6.223 -10.753   7.732
   21    HH   TYR   3           HH       TYR   3   7.534 -12.487   5.929
   22    H    VAL   4           H        VAL   4   5.995  -9.921  12.846
   23    HA   VAL   4           HA       VAL   4   3.958 -10.318  10.985
   24    HB   VAL   4           HB       VAL   4   2.903 -11.714  12.619
   25   1HG1  VAL   4          1HG1      VAL   4   4.181 -10.204  14.521
   26   2HG1  VAL   4          2HG1      VAL   4   2.495  -9.659  14.693
   27   3HG1  VAL   4          3HG1      VAL   4   2.892 -11.388  14.848
   28   1HG2  VAL   4          1HG2      VAL   4   1.732  -9.020  12.067
   29   2HG2  VAL   4          2HG2      VAL   4   1.186 -10.635  11.556
   30   3HG2  VAL   4          3HG2      VAL   4   0.885 -10.079  13.219
   31    H    GLY   5           H        GLY   5   4.406  -8.347  10.091
   32   1HA   GLY   5          1HA       GLY   5   4.872  -6.127   9.987
   33   2HA   GLY   5          2HA       GLY   5   4.993  -6.060  11.734
   34    H    LEU   6           H        LEU   6   3.287  -5.256  12.944
   35    HA   LEU   6           HA       LEU   6   0.808  -4.756  11.446
   36   1HB   LEU   6          1HB       LEU   6  -0.304  -4.814  13.677
   37   2HB   LEU   6          2HB       LEU   6   0.305  -6.349  13.090
   38    HG   LEU   6           HG       LEU   6   2.367  -5.186  14.673
   39   1HD1  LEU   6          1HD1      LEU   6  -0.384  -4.962  15.894
   40   2HD1  LEU   6          2HD1      LEU   6   1.087  -5.147  16.880
   41   3HD1  LEU   6          3HD1      LEU   6   0.906  -3.738  15.807
   42   1HD2  LEU   6          1HD2      LEU   6   1.951  -7.587  14.274
   43   2HD2  LEU   6          2HD2      LEU   6   2.109  -7.193  16.003
   44   3HD2  LEU   6          3HD2      LEU   6   0.500  -7.490  15.301
   45    H    SER   7           H        SER   7   1.938  -2.792  10.644
   46    HA   SER   7           HA       SER   7   1.152  -0.592  12.110
   47   1HB   SER   7          1HB       SER   7   3.572   0.352  12.445
   48   2HB   SER   7          2HB       SER   7   2.919  -0.747  13.643
   49    HG   SER   7           HG       SER   7   4.076  -2.295  11.773
   50    H    ALA   8           H        ALA   8   4.353  -0.564  10.525
   51    HA   ALA   8           HA       ALA   8   3.101   0.208   7.998
   52   1HB   ALA   8          1HB       ALA   8   4.677   1.916   9.850
   53   2HB   ALA   8          2HB       ALA   8   5.172   1.981   8.141
   54   3HB   ALA   8          3HB       ALA   8   3.496   2.370   8.598
   55    H    ASN   9           H        ASN   9   4.794  -2.055   9.450
   56    HA   ASN   9           HA       ASN   9   7.298  -2.088   8.372
   57   1HB   ASN   9          1HB       ASN   9   6.490  -3.728  10.058
   58   2HB   ASN   9          2HB       ASN   9   5.376  -4.417   8.895
   59   2HD2  ASN   9          2HD2      ASN   9   8.434  -4.562  10.246
   60   1HD2  ASN   9          1HD2      ASN   9   9.213  -5.645   9.141
   61    H    GLN  10           H        GLN  10   4.153  -3.388   7.092
   62    HA   GLN  10           HA       GLN  10   5.279  -4.405   4.743
   63   1HB   GLN  10          1HB       GLN  10   2.768  -4.288   3.991
   64   2HB   GLN  10          2HB       GLN  10   3.217  -5.366   5.298
   65   1HG   GLN  10          1HG       GLN  10   2.591  -2.628   6.234
   66   2HG   GLN  10          2HG       GLN  10   1.242  -3.390   5.416
   67   2HE2  GLN  10          2HE2      GLN  10   2.653  -2.924   8.315
   68   1HE2  GLN  10          1HE2      GLN  10   2.094  -4.301   9.204
   69    H    CYS  11           H        CYS  11   3.867  -1.247   5.675
   70    HA   CYS  11           HA       CYS  11   4.411  -0.307   2.957
   71   1HB   CYS  11          1HB       CYS  11   2.894   1.474   4.729
   72   2HB   CYS  11          2HB       CYS  11   2.623   1.039   3.053
   73    H    ALA  12           H        ALA  12   6.634  -0.746   4.581
   74    HA   ALA  12           HA       ALA  12   7.239   1.880   5.734
   75   1HB   ALA  12          1HB       ALA  12   9.295  -0.033   6.241
   76   2HB   ALA  12          2HB       ALA  12   8.128   0.659   7.394
   77   3HB   ALA  12          3HB       ALA  12   7.736  -0.844   6.524
   78    H    VAL  13           H        VAL  13   7.072   1.846   2.954
   79    HA   VAL  13           HA       VAL  13   9.837   1.531   2.056
   80    HB   VAL  13           HB       VAL  13   7.842   2.332   0.085
   81   1HG1  VAL  13          1HG1      VAL  13  10.212   0.719   0.304
   82   2HG1  VAL  13          2HG1      VAL  13   8.912  -0.245  -0.437
   83   3HG1  VAL  13          3HG1      VAL  13   9.387   1.312  -1.157
   84   1HG2  VAL  13          1HG2      VAL  13   7.347  -0.135   1.764
   85   2HG2  VAL  13          2HG2      VAL  13   6.209   1.162   1.327
   86   3HG2  VAL  13          3HG2      VAL  13   6.763   0.009   0.089
   87    HA   PRO  14           HA       PRO  14  10.409   5.812   1.963
   88   1HB   PRO  14          1HB       PRO  14  12.228   6.115  -0.053
   89   2HB   PRO  14          2HB       PRO  14  12.664   5.588   1.561
   90   1HG   PRO  14          1HG       PRO  14  12.448   3.990  -0.917
   91   2HG   PRO  14          2HG       PRO  14  13.274   3.593   0.577
   92   1HD   PRO  14          1HD       PRO  14  10.747   2.568  -0.312
   93   2HD   PRO  14          2HD       PRO  14  11.518   2.262   1.232
   94    H    ALA  15           H        ALA  15  10.279   4.751  -1.412
   95    HA   ALA  15           HA       ALA  15   7.900   5.690  -2.131
   96   1HB   ALA  15          1HB       ALA  15   9.675   7.951  -1.448
   97   2HB   ALA  15          2HB       ALA  15   7.903   7.895  -1.605
   98   3HB   ALA  15          3HB       ALA  15   8.919   8.081  -3.054
   99    H    LYS  16           H        LYS  16  11.360   5.423  -2.733
  100    HA   LYS  16           HA       LYS  16  10.949   5.391  -5.607
  101   1HB   LYS  16          1HB       LYS  16  13.358   5.311  -5.753
  102   2HB   LYS  16          2HB       LYS  16  12.881   6.587  -4.651
  103   1HG   LYS  16          1HG       LYS  16  14.533   5.568  -3.369
  104   2HG   LYS  16          2HG       LYS  16  13.135   4.675  -2.804
  105   1HD   LYS  16          1HD       LYS  16  14.118   2.753  -3.490
  106   2HD   LYS  16          2HD       LYS  16  14.006   3.310  -5.147
  107   1HE   LYS  16          1HE       LYS  16  16.220   4.035  -5.211
  108   2HE   LYS  16          2HE       LYS  16  16.255   4.442  -3.507
  109   1HZ   LYS  16          1HZ       LYS  16  15.849   1.697  -3.782
  110   2HZ   LYS  16          2HZ       LYS  16  17.137   2.121  -4.692
  111   3HZ   LYS  16          3HZ       LYS  16  17.112   2.474  -3.098
  112    H    ASP  17           H        ASP  17  10.477   3.286  -3.045
  113    HA   ASP  17           HA       ASP  17  11.258   1.014  -4.694
  114   1HB   ASP  17          1HB       ASP  17  11.418   1.589  -1.817
  115   2HB   ASP  17          2HB       ASP  17  10.551   0.094  -2.108
  116    H    ARG  18           H        ARG  18   8.722   2.908  -4.475
  117    HA   ARG  18           HA       ARG  18   6.717   1.188  -3.477
  118   1HB   ARG  18          1HB       ARG  18   6.268   3.565  -5.333
  119   2HB   ARG  18          2HB       ARG  18   5.174   2.936  -4.117
  120   1HG   ARG  18          1HG       ARG  18   7.913   4.040  -3.372
  121   2HG   ARG  18          2HG       ARG  18   6.518   5.088  -3.535
  122   1HD   ARG  18          1HD       ARG  18   5.494   3.060  -1.939
  123   2HD   ARG  18          2HD       ARG  18   7.160   3.119  -1.398
  124    HE   ARG  18           HE       ARG  18   6.002   5.783  -1.618
  125   1HH1  ARG  18          1HH1      ARG  18   6.220   2.949   0.458
  126   2HH1  ARG  18          2HH1      ARG  18   5.900   3.833   1.913
  127   1HH2  ARG  18          1HH2      ARG  18   5.580   6.949   0.302
  128   2HH2  ARG  18          2HH2      ARG  18   5.533   6.123   1.824
  129    H    VAL  19           H        VAL  19   6.362  -0.729  -4.598
  130    HA   VAL  19           HA       VAL  19   6.817  -0.992  -7.358
  131    HB   VAL  19           HB       VAL  19   5.140  -2.694  -5.504
  132   1HG1  VAL  19          1HG1      VAL  19   6.005  -2.959  -8.308
  133   2HG1  VAL  19          2HG1      VAL  19   6.361  -4.379  -7.296
  134   3HG1  VAL  19          3HG1      VAL  19   4.691  -3.775  -7.427
  135   1HG2  VAL  19          1HG2      VAL  19   7.879  -2.080  -5.301
  136   2HG2  VAL  19          2HG2      VAL  19   6.995  -3.384  -4.473
  137   3HG2  VAL  19          3HG2      VAL  19   7.803  -3.704  -6.026
  138    H    ASP  20           H        ASP  20   4.295   0.515  -5.565
  139    HA   ASP  20           HA       ASP  20   2.396   1.399  -6.122
  140   1HB   ASP  20          1HB       ASP  20   3.384   2.497  -7.990
  141   2HB   ASP  20          2HB       ASP  20   3.592   1.001  -8.879
  142    H    CYS  21           H        CYS  21   0.479   0.276  -5.751
  143    HA   CYS  21           HA       CYS  21   0.197  -2.354  -6.891
  144   1HB   CYS  21          1HB       CYS  21  -0.474  -1.294  -4.471
  145   2HB   CYS  21          2HB       CYS  21  -2.016  -1.222  -5.300
  146    H    GLY  22           H        GLY  22  -0.775   0.965  -7.453
  147   1HA   GLY  22          1HA       GLY  22  -2.025   0.352  -9.913
  148   2HA   GLY  22          2HA       GLY  22  -1.985   1.905  -9.102
  149    H    TYR  23           H        TYR  23  -3.676   2.501  -7.607
  150    HA   TYR  23           HA       TYR  23  -6.096   0.892  -8.000
  151   1HB   TYR  23          1HB       TYR  23  -4.629   1.841  -5.511
  152   2HB   TYR  23          2HB       TYR  23  -6.380   1.897  -5.454
  153    HD1  TYR  23           HD1      TYR  23  -7.589  -0.357  -6.223
  154    HD2  TYR  23           HD2      TYR  23  -3.557  -0.101  -4.815
  155    HE1  TYR  23           HE1      TYR  23  -7.641  -2.823  -5.605
  156    HE2  TYR  23           HE2      TYR  23  -3.622  -2.568  -4.202
  157    HH   TYR  23           HH       TYR  23  -5.678  -4.207  -3.558
  158    HA   PRO  24           HA       PRO  24  -7.845   4.772  -8.789
  159   1HB   PRO  24          1HB       PRO  24 -10.502   4.209  -8.483
  160   2HB   PRO  24          2HB       PRO  24  -9.601   3.824  -9.936
  161   1HG   PRO  24          1HG       PRO  24 -10.520   2.010  -7.790
  162   2HG   PRO  24          2HG       PRO  24 -10.009   1.613  -9.419
  163   1HD   PRO  24          1HD       PRO  24  -8.486   1.272  -7.012
  164   2HD   PRO  24          2HD       PRO  24  -7.936   0.985  -8.651
  165    H    HIS  25           H        HIS  25 -10.006   3.536  -6.293
  166    HA   HIS  25           HA       HIS  25  -9.687   6.079  -4.953
  167   1HB   HIS  25          1HB       HIS  25 -11.602   5.424  -3.647
  168   2HB   HIS  25          2HB       HIS  25 -11.935   5.167  -5.348
  169    HD1  HIS  25           HD1      HIS  25 -13.737   3.627  -3.593
  170    HD2  HIS  25           HD2      HIS  25  -9.953   2.153  -4.646
  171    HE1  HIS  25           HE1      HIS  25 -13.837   1.099  -3.263
  172    HE2  HIS  25           HE2      HIS  25 -11.502   0.244  -3.977
  173    H    VAL  26           H        VAL  26  -7.494   5.871  -4.208
  174    HA   VAL  26           HA       VAL  26  -7.021   3.687  -2.332
  175    HB   VAL  26           HB       VAL  26  -4.681   4.527  -2.423
  176   1HG1  VAL  26          1HG1      VAL  26  -5.987   3.797  -5.066
  177   2HG1  VAL  26          2HG1      VAL  26  -4.239   3.731  -4.739
  178   3HG1  VAL  26          3HG1      VAL  26  -5.353   2.675  -3.837
  179   1HG2  VAL  26          1HG2      VAL  26  -5.754   6.857  -3.377
  180   2HG2  VAL  26          2HG2      VAL  26  -4.041   6.393  -3.515
  181   3HG2  VAL  26          3HG2      VAL  26  -5.154   6.103  -4.874
  182    H    THR  27           H        THR  27  -6.670   4.013  -0.130
  183    HA   THR  27           HA       THR  27  -6.490   6.707   0.889
  184    HB   THR  27           HB       THR  27  -8.613   6.813   1.895
  185    HG1  THR  27           HG1      THR  27  -9.551   4.884   2.655
  186   1HG2  THR  27          1HG2      THR  27  -9.055   4.952  -0.499
  187   2HG2  THR  27          2HG2      THR  27 -10.359   5.796   0.372
  188   3HG2  THR  27          3HG2      THR  27  -9.135   6.730  -0.522
  189    HA   PRO  28           HA       PRO  28  -4.511   4.712   4.137
  190   1HB   PRO  28          1HB       PRO  28  -5.243   6.069   6.393
  191   2HB   PRO  28          2HB       PRO  28  -4.057   6.674   5.254
  192   1HG   PRO  28          1HG       PRO  28  -6.855   7.540   5.648
  193   2HG   PRO  28          2HG       PRO  28  -5.548   8.384   4.843
  194   1HD   PRO  28          1HD       PRO  28  -7.722   6.994   3.591
  195   2HD   PRO  28          2HD       PRO  28  -6.353   7.738   2.788
  196    H    LYS  29           H        LYS  29  -6.783   3.314   3.289
  197    HA   LYS  29           HA       LYS  29  -6.983   1.482   5.353
  198   1HB   LYS  29          1HB       LYS  29  -8.320   3.571   6.259
  199   2HB   LYS  29          2HB       LYS  29  -9.587   2.967   5.210
  200   1HG   LYS  29          1HG       LYS  29  -8.147   1.128   7.161
  201   2HG   LYS  29          2HG       LYS  29  -9.515   2.097   7.670
  202   1HD   LYS  29          1HD       LYS  29 -10.960   1.047   5.974
  203   2HD   LYS  29          2HD       LYS  29  -9.598   0.177   5.296
  204   1HE   LYS  29          1HE       LYS  29 -10.504  -1.477   6.675
  205   2HE   LYS  29          2HE       LYS  29  -9.329  -0.773   7.767
  206   1HZ   LYS  29          1HZ       LYS  29 -12.066   0.246   7.664
  207   2HZ   LYS  29          2HZ       LYS  29 -11.687  -1.051   8.580
  208   3HZ   LYS  29          3HZ       LYS  29 -10.973   0.389   8.869
  209    H    GLU  30           H        GLU  30  -8.912   3.104   2.745
  210    HA   GLU  30           HA       GLU  30 -10.094   0.726   1.901
  211   1HB   GLU  30          1HB       GLU  30 -11.110   2.841   1.330
  212   2HB   GLU  30          2HB       GLU  30  -9.652   3.413   0.545
  213   1HG   GLU  30          1HG       GLU  30 -10.104   2.292  -1.404
  214   2HG   GLU  30          2HG       GLU  30 -10.648   0.851  -0.568
  215    H    CYS  31           H        CYS  31  -7.156   2.537   0.831
  216    HA   CYS  31           HA       CYS  31  -6.590   0.904  -1.353
  217   1HB   CYS  31          1HB       CYS  31  -5.430   2.857  -1.449
  218   2HB   CYS  31          2HB       CYS  31  -5.117   2.903   0.274
  219    H    ASN  32           H        ASN  32  -5.927   0.699   2.161
  220    HA   ASN  32           HA       ASN  32  -4.223  -1.573   1.773
  221   1HB   ASN  32          1HB       ASN  32  -3.567  -0.147   3.596
  222   2HB   ASN  32          2HB       ASN  32  -5.210  -0.001   4.188
  223   2HD2  ASN  32          2HD2      ASN  32  -5.737  -1.160   5.870
  224   1HD2  ASN  32          1HD2      ASN  32  -4.985  -2.620   6.420
  225    H    ASN  33           H        ASN  33  -7.517  -1.010   1.671
  226    HA   ASN  33           HA       ASN  33  -8.250  -3.330   3.223
  227   1HB   ASN  33          1HB       ASN  33  -9.673  -1.317   3.436
  228   2HB   ASN  33          2HB       ASN  33  -9.900  -1.247   1.700
  229   2HD2  ASN  33          2HD2      ASN  33 -12.103  -1.405   1.809
  230   1HD2  ASN  33          1HD2      ASN  33 -12.952  -2.855   2.229
  231    H    ARG  34           H        ARG  34  -8.113  -2.017  -0.126
  232    HA   ARG  34           HA       ARG  34  -9.543  -4.039  -1.348
  233   1HB   ARG  34          1HB       ARG  34  -8.447  -1.687  -2.181
  234   2HB   ARG  34          2HB       ARG  34  -7.240  -2.782  -2.826
  235   1HG   ARG  34          1HG       ARG  34 -10.242  -3.028  -3.341
  236   2HG   ARG  34          2HG       ARG  34  -9.106  -2.282  -4.448
  237   1HD   ARG  34          1HD       ARG  34  -7.796  -4.554  -4.310
  238   2HD   ARG  34          2HD       ARG  34  -9.268  -5.204  -3.617
  239    HE   ARG  34           HE       ARG  34 -10.214  -3.933  -5.861
  240   1HH1  ARG  34          1HH1      ARG  34  -7.590  -6.224  -5.361
  241   2HH1  ARG  34          2HH1      ARG  34  -7.716  -6.909  -6.947
  242   1HH2  ARG  34          1HH2      ARG  34 -10.380  -4.836  -7.954
  243   2HH2  ARG  34          2HH2      ARG  34  -9.313  -6.114  -8.432
  244    H    GLY  35           H        GLY  35  -6.221  -3.835  -0.141
  245   1HA   GLY  35          1HA       GLY  35  -5.645  -6.486  -1.326
  246   2HA   GLY  35          2HA       GLY  35  -5.274  -6.068   0.335
  247    H    CYS  36           H        CYS  36  -3.813  -4.080   0.670
  248    HA   CYS  36           HA       CYS  36  -1.415  -4.469  -0.554
  249   1HB   CYS  36          1HB       CYS  36  -3.126  -3.136  -2.355
  250   2HB   CYS  36          2HB       CYS  36  -2.027  -1.914  -1.748
  251    H    CYS  37           H        CYS  37  -0.496  -1.677  -0.592
  252    HA   CYS  37           HA       CYS  37  -1.119  -0.942   2.177
  253   1HB   CYS  37          1HB       CYS  37   1.481  -1.265   0.779
  254   2HB   CYS  37          2HB       CYS  37   1.334   0.117   1.846
  255    H    PHE  38           H        PHE  38  -1.112   1.405   2.594
  256    HA   PHE  38           HA       PHE  38  -1.494   2.941   0.120
  257   1HB   PHE  38          1HB       PHE  38  -3.569   2.638   1.444
  258   2HB   PHE  38          2HB       PHE  38  -2.732   3.038   2.930
  259    HD1  PHE  38           HD1      PHE  38  -4.044   4.427  -0.223
  260    HD2  PHE  38           HD2      PHE  38  -2.429   5.306   3.602
  261    HE1  PHE  38           HE1      PHE  38  -4.717   6.830  -0.491
  262    HE2  PHE  38           HE2      PHE  38  -3.102   7.709   3.334
  263    HZ   PHE  38           HZ       PHE  38  -4.238   8.442   1.291
  264    H    ASP  39           H        ASP  39  -1.266   5.445   0.641
  265    HA   ASP  39           HA       ASP  39   0.371   6.231   2.715
  266   1HB   ASP  39          1HB       ASP  39   2.132   4.913   1.601
  267   2HB   ASP  39          2HB       ASP  39   1.802   5.700   0.071
  268    H    SER  40           H        SER  40   0.534   8.564   2.658
  269    HA   SER  40           HA       SER  40  -0.300   9.796   0.162
  270   1HB   SER  40          1HB       SER  40  -1.800  11.332   1.393
  271   2HB   SER  40          2HB       SER  40  -2.305   9.665   1.585
  272    HG   SER  40           HG       SER  40  -0.806  11.247   3.494
  273    H    ARG  41           H        ARG  41   2.253   9.371   1.908
  274    HA   ARG  41           HA       ARG  41   2.912  11.772   3.076
  275   1HB   ARG  41          1HB       ARG  41   4.107   9.341   2.922
  276   2HB   ARG  41          2HB       ARG  41   5.064  10.162   1.706
  277   1HG   ARG  41          1HG       ARG  41   5.093  12.060   3.686
  278   2HG   ARG  41          2HG       ARG  41   4.956  10.611   4.662
  279   1HD   ARG  41          1HD       ARG  41   7.086   9.908   4.154
  280   2HD   ARG  41          2HD       ARG  41   6.950  10.377   2.471
  281    HE   ARG  41           HE       ARG  41   7.042  12.780   3.963
  282   1HH1  ARG  41          1HH1      ARG  41   9.135  10.023   3.330
  283   2HH1  ARG  41          2HH1      ARG  41  10.599  10.925   3.533
  284   1HH2  ARG  41          1HH2      ARG  41   8.974  13.971   4.232
  285   2HH2  ARG  41          2HH2      ARG  41  10.507  13.186   4.050
  286    H    ILE  42           H        ILE  42   3.302  10.544  -0.294
  287    HA   ILE  42           HA       ILE  42   3.576  13.272  -1.204
  288    HB   ILE  42           HB       ILE  42   5.568  12.112  -2.667
  289   1HG1  ILE  42          1HG1      ILE  42   7.138  11.113  -1.024
  290   2HG1  ILE  42          2HG1      ILE  42   5.869  11.123   0.185
  291   1HG2  ILE  42          1HG2      ILE  42   5.316  14.115  -0.545
  292   2HG2  ILE  42          2HG2      ILE  42   6.942  13.401  -0.662
  293   3HG2  ILE  42          3HG2      ILE  42   6.205  14.172  -2.086
  294   1HD1  ILE  42          1HD1      ILE  42   5.057   9.887  -2.391
  295   2HD1  ILE  42          2HD1      ILE  42   6.367   9.031  -1.542
  296   3HD1  ILE  42          3HD1      ILE  42   4.811   9.311  -0.725
  297    HA   PRO  43           HA       PRO  43   1.093  11.405  -4.227
  298   1HB   PRO  43          1HB       PRO  43   0.736  13.570  -5.857
  299   2HB   PRO  43          2HB       PRO  43  -0.214  13.292  -4.411
  300   1HG   PRO  43          1HG       PRO  43   1.977  15.228  -4.845
  301   2HG   PRO  43          2HG       PRO  43   0.754  15.218  -3.591
  302   1HD   PRO  43          1HD       PRO  43   3.500  14.437  -3.316
  303   2HD   PRO  43          2HD       PRO  43   2.250  14.318  -2.095
  304    H    GLY  44           H        GLY  44   3.934  13.213  -5.161
  305   1HA   GLY  44          1HA       GLY  44   5.561  12.640  -6.620
  306   2HA   GLY  44          2HA       GLY  44   4.238  12.557  -7.766
  307    H    VAL  45           H        VAL  45   4.375  10.363  -4.964
  308    HA   VAL  45           HA       VAL  45   5.299   8.221  -6.741
  309    HB   VAL  45           HB       VAL  45   6.298   7.256  -4.965
  310   1HG1  VAL  45          1HG1      VAL  45   6.061  10.145  -4.067
  311   2HG1  VAL  45          2HG1      VAL  45   7.190   8.964  -3.359
  312   3HG1  VAL  45          3HG1      VAL  45   7.340   9.422  -5.073
  313   1HG2  VAL  45          1HG2      VAL  45   4.072   8.390  -3.253
  314   2HG2  VAL  45          2HG2      VAL  45   4.398   6.688  -3.661
  315   3HG2  VAL  45          3HG2      VAL  45   5.494   7.567  -2.568
  316    HA   PRO  46           HA       PRO  46   1.479   6.215  -6.446
  317   1HB   PRO  46          1HB       PRO  46   2.067   3.574  -6.063
  318   2HB   PRO  46          2HB       PRO  46   2.195   4.368  -7.620
  319   1HG   PRO  46          1HG       PRO  46   4.353   3.559  -5.769
  320   2HG   PRO  46          2HG       PRO  46   4.459   3.953  -7.474
  321   1HD   PRO  46          1HD       PRO  46   5.233   5.625  -5.275
  322   2HD   PRO  46          2HD       PRO  46   5.229   6.060  -6.973
  323    H    TRP  47           H        TRP  47   0.571   7.317  -4.683
  324    HA   TRP  47           HA       TRP  47   0.960   7.005  -2.106
  325   1HB   TRP  47          1HB       TRP  47  -1.537   7.263  -3.706
  326   2HB   TRP  47          2HB       TRP  47  -1.706   6.907  -1.998
  327    HD1  TRP  47           HD1      TRP  47   1.147   9.218  -3.172
  328    HE1  TRP  47           HE1      TRP  47   0.795  11.687  -2.310
  329    HE3  TRP  47           HE3      TRP  47  -3.526   8.461  -1.316
  330    HZ2  TRP  47           HZ2      TRP  47  -1.351  13.016  -0.978
  331    HZ3  TRP  47           HZ3      TRP  47  -4.680  10.396  -0.251
  332    HH2  TRP  47           HH2      TRP  47  -3.667  12.613  -0.065
  333    H    CYS  48           H        CYS  48  -1.020   4.684  -4.091
  334    HA   CYS  48           HA       CYS  48  -0.868   2.795  -1.894
  335   1HB   CYS  48          1HB       CYS  48  -2.998   3.369  -3.236
  336   2HB   CYS  48          2HB       CYS  48  -2.314   2.364  -4.498
  337    H    PHE  49           H        PHE  49   0.878   1.424  -1.864
  338    HA   PHE  49           HA       PHE  49   1.827   0.433  -4.449
  339   1HB   PHE  49          1HB       PHE  49   4.166   0.617  -3.277
  340   2HB   PHE  49          2HB       PHE  49   3.449   2.119  -3.826
  341    HD1  PHE  49           HD1      PHE  49   3.582  -0.042  -0.785
  342    HD2  PHE  49           HD2      PHE  49   3.332   3.895  -2.351
  343    HE1  PHE  49           HE1      PHE  49   3.762   0.894   1.537
  344    HE2  PHE  49           HE2      PHE  49   3.511   4.830  -0.029
  345    HZ   PHE  49           HZ       PHE  49   3.724   3.318   1.887
  346    H    LYS  50           H        LYS  50   3.264  -1.564  -4.151
  347    HA   LYS  50           HA       LYS  50   1.871  -3.421  -2.568
  348   1HB   LYS  50          1HB       LYS  50   4.586  -3.733  -3.879
  349   2HB   LYS  50          2HB       LYS  50   3.504  -5.018  -3.381
  350   1HG   LYS  50          1HG       LYS  50   1.751  -3.829  -4.958
  351   2HG   LYS  50          2HG       LYS  50   3.150  -3.030  -5.648
  352   1HD   LYS  50          1HD       LYS  50   2.926  -4.953  -7.004
  353   2HD   LYS  50          2HD       LYS  50   4.177  -5.423  -5.871
  354   1HE   LYS  50          1HE       LYS  50   2.724  -6.827  -4.633
  355   2HE   LYS  50          2HE       LYS  50   1.283  -5.998  -5.185
  356   1HZ   LYS  50          1HZ       LYS  50   2.479  -6.944  -7.443
  357   2HZ   LYS  50          2HZ       LYS  50   2.627  -8.165  -6.368
  358   3HZ   LYS  50          3HZ       LYS  50   1.152  -7.557  -6.716
  359    HA   PRO  51           HA       PRO  51   4.031  -3.288   1.165
  360   1HB   PRO  51          1HB       PRO  51   4.095  -5.897   1.978
  361   2HB   PRO  51          2HB       PRO  51   2.676  -4.879   2.132
  362   1HG   PRO  51          1HG       PRO  51   3.199  -7.049   0.193
  363   2HG   PRO  51          2HG       PRO  51   1.669  -6.322   0.641
  364   1HD   PRO  51          1HD       PRO  51   3.162  -5.838  -1.760
  365   2HD   PRO  51          2HD       PRO  51   1.692  -5.026  -1.259
  366    H    LEU  52           H        LEU  52   6.053  -2.763   1.691
  367    HA   LEU  52           HA       LEU  52   8.171  -3.243   0.158
  368   1HB   LEU  52          1HB       LEU  52   8.502  -1.772   1.887
  369   2HB   LEU  52          2HB       LEU  52   7.852  -2.859   3.099
  370    HG   LEU  52           HG       LEU  52  10.491  -3.366   1.712
  371   1HD1  LEU  52          1HD1      LEU  52   9.974  -1.823   4.267
  372   2HD1  LEU  52          2HD1      LEU  52  11.567  -2.425   3.749
  373   3HD1  LEU  52          3HD1      LEU  52  10.709  -1.215   2.764
  374   1HD2  LEU  52          1HD2      LEU  52   8.891  -4.916   3.453
  375   2HD2  LEU  52          2HD2      LEU  52  10.538  -5.254   2.871
  376   3HD2  LEU  52          3HD2      LEU  52  10.298  -4.367   4.395
  377    H    GLN  53           H        GLN  53   9.664  -4.851  -0.292
  378    HA   GLN  53           HA       GLN  53   8.784  -7.467   0.141
  379   1HB   GLN  53          1HB       GLN  53  11.066  -6.117  -1.206
  380   2HB   GLN  53          2HB       GLN  53  11.412  -7.745  -0.657
  381   1HG   GLN  53          1HG       GLN  53  10.379  -8.478  -2.545
  382   2HG   GLN  53          2HG       GLN  53   8.867  -8.008  -1.793
  383   2HE2  GLN  53          2HE2      GLN  53   8.681  -5.424  -1.825
  384   1HE2  GLN  53          1HE2      GLN  53   8.803  -4.728  -3.407
  385    H    GLU  54           H        GLU  54   8.577  -7.355   2.563
  386    HA   GLU  54           HA       GLU  54  10.561  -6.894   4.301
  387   1HB   GLU  54          1HB       GLU  54   9.328  -8.197   5.886
  388   2HB   GLU  54          2HB       GLU  54   8.140  -7.548   4.773
  389   1HG   GLU  54          1HG       GLU  54   7.441  -9.746   4.717
  390   2HG   GLU  54          2HG       GLU  54   8.663  -9.861   3.467
  391    H    ALA  55           H        ALA  55  12.628  -7.638   4.463
  392    HA   ALA  55           HA       ALA  55  13.149 -10.434   4.463
  393   1HB   ALA  55          1HB       ALA  55  13.527 -10.701   2.260
  394   2HB   ALA  55          2HB       ALA  55  14.939  -9.635   2.455
  395   3HB   ALA  55          3HB       ALA  55  13.372  -8.954   1.956
  396    H    GLU  56           H        GLU  56  15.790 -10.621   4.397
  397    HA   GLU  56           HA       GLU  56  16.575  -9.148   6.632
  398   1HB   GLU  56          1HB       GLU  56  18.799 -10.237   6.249
  399   2HB   GLU  56          2HB       GLU  56  17.467 -11.375   6.222
  400   1HG   GLU  56          1HG       GLU  56  17.623 -10.585   3.550
  401   2HG   GLU  56          2HG       GLU  56  19.306 -10.579   4.039
  402    H    CYS  57           H        CYS  57  19.097  -8.188   6.382
  403    HA   CYS  57           HA       CYS  57  20.393  -6.595   5.577
  404   1HB   CYS  57          1HB       CYS  57  18.706  -6.291   3.103
  405   2HB   CYS  57          2HB       CYS  57  20.401  -5.910   3.327
  406    H    THR  58           H        THR  58  20.206  -4.703   6.722
  407    HA   THR  58           HA       THR  58  17.750  -3.554   7.379
  408    HB   THR  58           HB       THR  58  19.903  -3.340   8.657
  409    HG1  THR  58           HG1      THR  58  18.830  -0.850   7.531
  410   1HG2  THR  58          1HG2      THR  58  20.691  -1.905   6.124
  411   2HG2  THR  58          2HG2      THR  58  21.217  -1.187   7.666
  412   3HG2  THR  58          3HG2      THR  58  21.702  -2.847   7.246
  413    H    PHE  59           H        PHE  59  17.018  -1.304   6.890
  414    HA   PHE  59           HA       PHE  59  16.226  -1.006   4.365
  415   1HB   PHE  59          1HB       PHE  59  16.984   0.866   6.631
  416   2HB   PHE  59          2HB       PHE  59  16.591   1.613   5.095
  417    HD1  PHE  59           HD1      PHE  59  15.258  -0.565   7.768
  418    HD2  PHE  59           HD2      PHE  59  14.344   1.812   4.374
  419    HE1  PHE  59           HE1      PHE  59  12.814  -0.722   8.317
  420    HE2  PHE  59           HE2      PHE  59  11.900   1.656   4.923
  421    HZ   PHE  59           HZ       PHE  59  11.164   0.391   6.887

  No H/Q in entry =         421
  Start of MODEL   12
    1    H    GLU   1           H        GLU   1  10.752 -16.395  14.603
    2    HA   GLU   1           HA       GLU   1   8.769 -17.670  15.729
    3   1HB   GLU   1          1HB       GLU   1   9.406 -15.310  17.433
    4   2HB   GLU   1          2HB       GLU   1   7.707 -15.504  17.049
    5   1HG   GLU   1          1HG       GLU   1   8.683 -18.116  17.697
    6   2HG   GLU   1          2HG       GLU   1   9.341 -17.034  18.908
    7    H    GLU   2           H        GLU   2   6.625 -17.029  14.887
    8    HA   GLU   2           HA       GLU   2   6.635 -16.091  12.410
    9   1HB   GLU   2          1HB       GLU   2   4.226 -15.688  12.645
   10   2HB   GLU   2          2HB       GLU   2   4.680 -17.123  13.542
   11   1HG   GLU   2          1HG       GLU   2   3.675 -16.188  15.351
   12   2HG   GLU   2          2HG       GLU   2   5.020 -15.067  15.422
   13    H    TYR   3           H        TYR   3   5.756 -14.016  11.421
   14    HA   TYR   3           HA       TYR   3   6.331 -11.677  13.088
   15   1HB   TYR   3          1HB       TYR   3   7.905 -10.899  11.451
   16   2HB   TYR   3          2HB       TYR   3   8.234 -12.620  11.462
   17    HD1  TYR   3           HD1      TYR   3   6.658  -9.867   9.576
   18    HD2  TYR   3           HD2      TYR   3   7.681 -14.021   9.560
   19    HE1  TYR   3           HE1      TYR   3   6.189  -9.980   7.080
   20    HE2  TYR   3           HE2      TYR   3   7.208 -14.120   7.064
   21    HH   TYR   3           HH       TYR   3   7.164 -12.605   5.181
   22    H    VAL   4           H        VAL   4   5.370  -9.671  12.255
   23    HA   VAL   4           HA       VAL   4   3.440 -10.020  10.113
   24    HB   VAL   4           HB       VAL   4   1.728  -8.886  11.667
   25   1HG1  VAL   4          1HG1      VAL   4   2.074 -11.455  10.846
   26   2HG1  VAL   4          2HG1      VAL   4   2.070 -11.673  12.612
   27   3HG1  VAL   4          3HG1      VAL   4   0.687 -10.891  11.809
   28   1HG2  VAL   4          1HG2      VAL   4   3.841  -9.038  13.485
   29   2HG2  VAL   4          2HG2      VAL   4   2.141  -8.660  13.853
   30   3HG2  VAL   4          3HG2      VAL   4   2.729 -10.334  13.989
   31    H    GLY   5           H        GLY   5   2.114  -7.588  10.334
   32   1HA   GLY   5          1HA       GLY   5   3.837  -5.788   9.187
   33   2HA   GLY   5          2HA       GLY   5   3.914  -5.438  10.902
   34    H    LEU   6           H        LEU   6   1.922  -5.363   7.987
   35    HA   LEU   6           HA       LEU   6   0.273  -3.885   7.555
   36   1HB   LEU   6          1HB       LEU   6  -1.847  -4.742   8.291
   37   2HB   LEU   6          2HB       LEU   6  -0.769  -6.056   7.864
   38    HG   LEU   6           HG       LEU   6  -0.575  -5.481  10.698
   39   1HD1  LEU   6          1HD1      LEU   6  -2.961  -4.678  10.137
   40   2HD1  LEU   6          2HD1      LEU   6  -3.327  -6.404   9.898
   41   3HD1  LEU   6          3HD1      LEU   6  -2.741  -5.829  11.477
   42   1HD2  LEU   6          1HD2      LEU   6  -0.964  -7.792   8.884
   43   2HD2  LEU   6          2HD2      LEU   6   0.137  -7.579  10.267
   44   3HD2  LEU   6          3HD2      LEU   6  -1.575  -7.980  10.545
   45    H    SER   7           H        SER   7   1.124  -1.880   8.289
   46    HA   SER   7           HA       SER   7  -0.395  -0.403   9.863
   47   1HB   SER   7          1HB       SER   7   1.191  -0.311  12.012
   48   2HB   SER   7          2HB       SER   7  -0.158  -1.426  11.923
   49    HG   SER   7           HG       SER   7   2.372  -2.280  10.899
   50    H    ALA   8           H        ALA   8   2.844  -1.326   8.803
   51    HA   ALA   8           HA       ALA   8   3.437   1.079   7.645
   52   1HB   ALA   8          1HB       ALA   8   4.238   2.464   9.227
   53   2HB   ALA   8          2HB       ALA   8   5.271   1.183   9.906
   54   3HB   ALA   8          3HB       ALA   8   3.582   1.343  10.444
   55    H    ASN   9           H        ASN   9   4.526  -1.821   9.414
   56    HA   ASN   9           HA       ASN   9   7.082  -1.973   8.494
   57   1HB   ASN   9          1HB       ASN   9   6.088  -3.531  10.171
   58   2HB   ASN   9          2HB       ASN   9   5.063  -4.236   8.936
   59   2HD2  ASN   9          2HD2      ASN   9   5.760  -6.225   8.661
   60   1HD2  ASN   9          1HD2      ASN   9   7.384  -6.719   8.318
   61    H    GLN  10           H        GLN  10   4.002  -3.288   7.065
   62    HA   GLN  10           HA       GLN  10   5.278  -4.337   4.802
   63   1HB   GLN  10          1HB       GLN  10   2.836  -4.367   3.916
   64   2HB   GLN  10          2HB       GLN  10   3.204  -5.327   5.335
   65   1HG   GLN  10          1HG       GLN  10   2.119  -3.828   6.805
   66   2HG   GLN  10          2HG       GLN  10   2.284  -2.469   5.711
   67   2HE2  GLN  10          2HE2      GLN  10   1.246  -5.715   4.823
   68   1HE2  GLN  10          1HE2      GLN  10  -0.388  -5.332   4.392
   69    H    CYS  11           H        CYS  11   3.760  -1.198   5.609
   70    HA   CYS  11           HA       CYS  11   4.374  -0.299   2.893
   71   1HB   CYS  11          1HB       CYS  11   2.779   1.467   4.628
   72   2HB   CYS  11          2HB       CYS  11   2.590   1.069   2.932
   73    H    ALA  12           H        ALA  12   6.554  -0.687   4.599
   74    HA   ALA  12           HA       ALA  12   7.094   1.945   5.759
   75   1HB   ALA  12          1HB       ALA  12   9.205   0.066   6.209
   76   2HB   ALA  12          2HB       ALA  12   8.045   0.726   7.386
   77   3HB   ALA  12          3HB       ALA  12   7.662  -0.771   6.502
   78    H    VAL  13           H        VAL  13   6.920   1.764   2.908
   79    HA   VAL  13           HA       VAL  13   9.694   1.628   2.032
   80    HB   VAL  13           HB       VAL  13   7.649   2.383   0.084
   81   1HG1  VAL  13          1HG1      VAL  13  10.061   0.752   0.298
   82   2HG1  VAL  13          2HG1      VAL  13   8.777  -0.063  -0.627
   83   3HG1  VAL  13          3HG1      VAL  13   9.342   1.551  -1.121
   84   1HG2  VAL  13          1HG2      VAL  13   7.259  -0.066   1.795
   85   2HG2  VAL  13          2HG2      VAL  13   6.058   1.108   1.207
   86   3HG2  VAL  13          3HG2      VAL  13   6.773  -0.072   0.083
   87    HA   PRO  14           HA       PRO  14  10.120   5.927   2.050
   88   1HB   PRO  14          1HB       PRO  14  12.067   6.293   0.166
   89   2HB   PRO  14          2HB       PRO  14  12.405   5.778   1.807
   90   1HG   PRO  14          1HG       PRO  14  12.416   4.177  -0.678
   91   2HG   PRO  14          2HG       PRO  14  13.147   3.805   0.870
   92   1HD   PRO  14          1HD       PRO  14  10.723   2.699  -0.193
   93   2HD   PRO  14          2HD       PRO  14  11.393   2.416   1.401
   94    H    ALA  15           H        ALA  15  10.285   4.887  -1.331
   95    HA   ALA  15           HA       ALA  15   7.920   5.755  -2.207
   96   1HB   ALA  15          1HB       ALA  15   9.533   8.045  -1.350
   97   2HB   ALA  15          2HB       ALA  15   7.812   7.970  -1.797
   98   3HB   ALA  15          3HB       ALA  15   9.052   8.165  -3.059
   99    H    LYS  16           H        LYS  16  11.401   5.488  -2.565
  100    HA   LYS  16           HA       LYS  16  11.177   5.435  -5.466
  101   1HB   LYS  16          1HB       LYS  16  13.600   5.410  -5.457
  102   2HB   LYS  16          2HB       LYS  16  13.010   6.710  -4.441
  103   1HG   LYS  16          1HG       LYS  16  14.520   5.832  -2.939
  104   2HG   LYS  16          2HG       LYS  16  13.178   4.775  -2.547
  105   1HD   LYS  16          1HD       LYS  16  15.121   3.369  -2.888
  106   2HD   LYS  16          2HD       LYS  16  14.051   3.113  -4.251
  107   1HE   LYS  16          1HE       LYS  16  15.596   5.239  -5.152
  108   2HE   LYS  16          2HE       LYS  16  16.753   4.352  -4.179
  109   1HZ   LYS  16          1HZ       LYS  16  16.029   2.347  -5.414
  110   2HZ   LYS  16          2HZ       LYS  16  15.167   3.307  -6.415
  111   3HZ   LYS  16          3HZ       LYS  16  16.791   3.460  -6.334
  112    H    ASP  17           H        ASP  17  10.375   3.375  -3.060
  113    HA   ASP  17           HA       ASP  17  11.417   1.093  -4.549
  114   1HB   ASP  17          1HB       ASP  17  11.363   1.709  -1.684
  115   2HB   ASP  17          2HB       ASP  17  10.512   0.210  -2.003
  116    H    ARG  18           H        ARG  18   8.815   2.971  -4.441
  117    HA   ARG  18           HA       ARG  18   6.795   1.159  -3.653
  118   1HB   ARG  18          1HB       ARG  18   6.406   3.615  -5.419
  119   2HB   ARG  18          2HB       ARG  18   5.251   2.902  -4.311
  120   1HG   ARG  18          1HG       ARG  18   7.875   4.233  -3.487
  121   2HG   ARG  18          2HG       ARG  18   6.294   4.983  -3.388
  122   1HD   ARG  18          1HD       ARG  18   5.585   2.993  -1.897
  123   2HD   ARG  18          2HD       ARG  18   7.279   2.547  -1.837
  124    HE   ARG  18           HE       ARG  18   7.592   4.245  -0.277
  125   1HH1  ARG  18          1HH1      ARG  18   4.820   5.078  -2.278
  126   2HH1  ARG  18          2HH1      ARG  18   4.463   6.530  -1.403
  127   1HH2  ARG  18          1HH2      ARG  18   7.121   6.160   0.878
  128   2HH2  ARG  18          2HH2      ARG  18   5.781   7.149   0.404
  129    H    VAL  19           H        VAL  19   5.997  -0.516  -4.886
  130    HA   VAL  19           HA       VAL  19   6.771  -0.645  -7.668
  131    HB   VAL  19           HB       VAL  19   5.087  -2.648  -6.193
  132   1HG1  VAL  19          1HG1      VAL  19   7.174  -2.843  -8.390
  133   2HG1  VAL  19          2HG1      VAL  19   6.376  -4.236  -7.622
  134   3HG1  VAL  19          3HG1      VAL  19   5.415  -3.063  -8.553
  135   1HG2  VAL  19          1HG2      VAL  19   7.944  -1.938  -5.685
  136   2HG2  VAL  19          2HG2      VAL  19   6.703  -2.570  -4.576
  137   3HG2  VAL  19          3HG2      VAL  19   7.511  -3.664  -5.725
  138    H    ASP  20           H        ASP  20   4.245   0.711  -5.849
  139    HA   ASP  20           HA       ASP  20   2.306   1.533  -6.357
  140   1HB   ASP  20          1HB       ASP  20   3.201   2.629  -8.274
  141   2HB   ASP  20          2HB       ASP  20   3.419   1.126  -9.147
  142    H    CYS  21           H        CYS  21   0.454   0.342  -5.883
  143    HA   CYS  21           HA       CYS  21   0.209  -2.306  -6.979
  144   1HB   CYS  21          1HB       CYS  21  -0.384  -1.279  -4.552
  145   2HB   CYS  21          2HB       CYS  21  -1.959  -1.162  -5.311
  146    H    GLY  22           H        GLY  22  -0.901   0.972  -7.550
  147   1HA   GLY  22          1HA       GLY  22  -2.224   0.257  -9.955
  148   2HA   GLY  22          2HA       GLY  22  -2.167   1.837  -9.200
  149    H    TYR  23           H        TYR  23  -3.825   2.501  -7.726
  150    HA   TYR  23           HA       TYR  23  -6.240   0.869  -7.960
  151   1HB   TYR  23          1HB       TYR  23  -4.670   1.810  -5.534
  152   2HB   TYR  23          2HB       TYR  23  -6.416   1.878  -5.405
  153    HD1  TYR  23           HD1      TYR  23  -7.667  -0.371  -6.134
  154    HD2  TYR  23           HD2      TYR  23  -3.586  -0.136  -4.870
  155    HE1  TYR  23           HE1      TYR  23  -7.710  -2.836  -5.514
  156    HE2  TYR  23           HE2      TYR  23  -3.643  -2.602  -4.254
  157    HH   TYR  23           HH       TYR  23  -5.729  -4.687  -5.359
  158    HA   PRO  24           HA       PRO  24  -8.010   4.753  -8.677
  159   1HB   PRO  24          1HB       PRO  24 -10.654   4.197  -8.265
  160   2HB   PRO  24          2HB       PRO  24  -9.814   3.810  -9.754
  161   1HG   PRO  24          1HG       PRO  24 -10.649   1.998  -7.572
  162   2HG   PRO  24          2HG       PRO  24 -10.206   1.600  -9.220
  163   1HD   PRO  24          1HD       PRO  24  -8.588   1.255  -6.877
  164   2HD   PRO  24          2HD       PRO  24  -8.104   0.966  -8.537
  165    H    HIS  25           H        HIS  25 -10.136   3.570  -6.136
  166    HA   HIS  25           HA       HIS  25  -9.726   6.094  -4.795
  167   1HB   HIS  25          1HB       HIS  25 -11.609   5.477  -3.441
  168   2HB   HIS  25          2HB       HIS  25 -11.995   5.183  -5.125
  169    HD1  HIS  25           HD1      HIS  25 -13.725   3.702  -3.216
  170    HD2  HIS  25           HD2      HIS  25 -10.033   2.166  -4.482
  171    HE1  HIS  25           HE1      HIS  25 -13.835   1.180  -2.844
  172    HE2  HIS  25           HE2      HIS  25 -11.559   0.286  -3.691
  173    H    VAL  26           H        VAL  26  -7.500   5.841  -4.144
  174    HA   VAL  26           HA       VAL  26  -6.986   3.657  -2.285
  175    HB   VAL  26           HB       VAL  26  -4.647   4.479  -2.444
  176   1HG1  VAL  26          1HG1      VAL  26  -6.040   3.810  -5.059
  177   2HG1  VAL  26          2HG1      VAL  26  -4.283   3.724  -4.786
  178   3HG1  VAL  26          3HG1      VAL  26  -5.379   2.660  -3.872
  179   1HG2  VAL  26          1HG2      VAL  26  -5.485   6.861  -3.109
  180   2HG2  VAL  26          2HG2      VAL  26  -3.976   6.234  -3.813
  181   3HG2  VAL  26          3HG2      VAL  26  -5.480   6.208  -4.764
  182    H    THR  27           H        THR  27  -6.662   3.949  -0.091
  183    HA   THR  27           HA       THR  27  -6.396   6.633   0.952
  184    HB   THR  27           HB       THR  27  -8.495   6.748   2.019
  185    HG1  THR  27           HG1      THR  27  -9.590   4.750   2.545
  186   1HG2  THR  27          1HG2      THR  27  -9.012   4.982  -0.432
  187   2HG2  THR  27          2HG2      THR  27 -10.284   5.824   0.487
  188   3HG2  THR  27          3HG2      THR  27  -9.052   6.762  -0.392
  189    HA   PRO  28           HA       PRO  28  -4.386   4.571   4.138
  190   1HB   PRO  28          1HB       PRO  28  -5.039   5.931   6.417
  191   2HB   PRO  28          2HB       PRO  28  -3.864   6.515   5.256
  192   1HG   PRO  28          1HG       PRO  28  -6.633   7.441   5.717
  193   2HG   PRO  28          2HG       PRO  28  -5.325   8.261   4.887
  194   1HD   PRO  28          1HD       PRO  28  -7.556   6.926   3.675
  195   2HD   PRO  28          2HD       PRO  28  -6.189   7.645   2.848
  196    H    LYS  29           H        LYS  29  -6.725   3.244   3.334
  197    HA   LYS  29           HA       LYS  29  -6.916   1.401   5.396
  198   1HB   LYS  29          1HB       LYS  29  -8.181   3.499   6.350
  199   2HB   LYS  29          2HB       LYS  29  -9.478   2.968   5.299
  200   1HG   LYS  29          1HG       LYS  29  -8.114   0.967   7.125
  201   2HG   LYS  29          2HG       LYS  29  -9.331   2.046   7.778
  202   1HD   LYS  29          1HD       LYS  29 -11.016   1.220   6.216
  203   2HD   LYS  29          2HD       LYS  29  -9.817   0.314   5.314
  204   1HE   LYS  29          1HE       LYS  29  -9.511  -0.606   7.966
  205   2HE   LYS  29          2HE       LYS  29 -11.245  -0.430   7.777
  206   1HZ   LYS  29          1HZ       LYS  29  -9.714  -1.731   5.669
  207   2HZ   LYS  29          2HZ       LYS  29 -10.092  -2.571   7.018
  208   3HZ   LYS  29          3HZ       LYS  29 -11.278  -1.944   6.087
  209    H    GLU  30           H        GLU  30  -8.724   3.078   2.752
  210    HA   GLU  30           HA       GLU  30 -10.003   0.711   1.942
  211   1HB   GLU  30          1HB       GLU  30 -10.980   2.887   1.439
  212   2HB   GLU  30          2HB       GLU  30  -9.554   3.384   0.551
  213   1HG   GLU  30          1HG       GLU  30 -10.170   2.240  -1.339
  214   2HG   GLU  30          2HG       GLU  30 -10.709   0.838  -0.436
  215    H    CYS  31           H        CYS  31  -7.018   2.461   0.950
  216    HA   CYS  31           HA       CYS  31  -6.522   0.822  -1.286
  217   1HB   CYS  31          1HB       CYS  31  -5.423   2.816  -1.447
  218   2HB   CYS  31          2HB       CYS  31  -5.023   2.877   0.258
  219    H    ASN  32           H        ASN  32  -5.846   0.684   2.215
  220    HA   ASN  32           HA       ASN  32  -4.058  -1.532   1.855
  221   1HB   ASN  32          1HB       ASN  32  -3.277  -0.804   3.873
  222   2HB   ASN  32          2HB       ASN  32  -4.502   0.449   3.872
  223   2HD2  ASN  32          2HD2      ASN  32  -6.748  -0.317   4.478
  224   1HD2  ASN  32          1HD2      ASN  32  -6.887  -1.374   5.843
  225    H    ASN  33           H        ASN  33  -7.371  -1.066   1.772
  226    HA   ASN  33           HA       ASN  33  -8.003  -3.414   3.336
  227   1HB   ASN  33          1HB       ASN  33  -9.527  -1.570   3.709
  228   2HB   ASN  33          2HB       ASN  33  -9.671  -1.239   1.994
  229   2HD2  ASN  33          2HD2      ASN  33 -11.977  -1.339   2.776
  230   1HD2  ASN  33          1HD2      ASN  33 -12.803  -2.856   2.652
  231    H    ARG  34           H        ARG  34  -8.131  -2.012   0.008
  232    HA   ARG  34           HA       ARG  34  -9.522  -4.022  -1.212
  233   1HB   ARG  34          1HB       ARG  34  -8.427  -1.669  -2.035
  234   2HB   ARG  34          2HB       ARG  34  -7.237  -2.761  -2.716
  235   1HG   ARG  34          1HG       ARG  34 -10.250  -2.977  -3.184
  236   2HG   ARG  34          2HG       ARG  34  -9.124  -2.232  -4.301
  237   1HD   ARG  34          1HD       ARG  34  -7.836  -4.514  -4.220
  238   2HD   ARG  34          2HD       ARG  34  -9.292  -5.160  -3.491
  239    HE   ARG  34           HE       ARG  34 -10.098  -3.721  -5.801
  240   1HH1  ARG  34          1HH1      ARG  34  -8.198  -6.575  -5.010
  241   2HH1  ARG  34          2HH1      ARG  34  -8.539  -7.374  -6.508
  242   1HH2  ARG  34          1HH2      ARG  34 -10.549  -4.774  -7.778
  243   2HH2  ARG  34          2HH2      ARG  34  -9.885  -6.343  -8.093
  244    H    GLY  35           H        GLY  35  -6.154  -3.850  -0.112
  245   1HA   GLY  35          1HA       GLY  35  -5.642  -6.499  -1.329
  246   2HA   GLY  35          2HA       GLY  35  -5.217  -6.099   0.323
  247    H    CYS  36           H        CYS  36  -3.711  -4.157   0.644
  248    HA   CYS  36           HA       CYS  36  -1.360  -4.545  -0.647
  249   1HB   CYS  36          1HB       CYS  36  -3.099  -3.217  -2.416
  250   2HB   CYS  36          2HB       CYS  36  -1.999  -1.986  -1.829
  251    H    CYS  37           H        CYS  37  -0.441  -1.744  -0.721
  252    HA   CYS  37           HA       CYS  37  -0.969  -1.017   2.069
  253   1HB   CYS  37          1HB       CYS  37   1.578  -1.327   0.577
  254   2HB   CYS  37          2HB       CYS  37   1.466   0.058   1.644
  255    H    PHE  38           H        PHE  38  -0.942   1.334   2.493
  256    HA   PHE  38           HA       PHE  38  -1.406   2.878   0.038
  257   1HB   PHE  38          1HB       PHE  38  -3.458   2.540   1.388
  258   2HB   PHE  38          2HB       PHE  38  -2.605   2.937   2.866
  259    HD1  PHE  38           HD1      PHE  38  -3.933   4.349  -0.276
  260    HD2  PHE  38           HD2      PHE  38  -2.362   5.191   3.575
  261    HE1  PHE  38           HE1      PHE  38  -4.637   6.747  -0.513
  262    HE2  PHE  38           HE2      PHE  38  -3.066   7.589   3.338
  263    HZ   PHE  38           HZ       PHE  38  -4.195   8.338   1.297
  264    H    ASP  39           H        ASP  39  -1.210   5.384   0.593
  265    HA   ASP  39           HA       ASP  39   0.453   6.167   2.645
  266   1HB   ASP  39          1HB       ASP  39   2.204   4.873   1.468
  267   2HB   ASP  39          2HB       ASP  39   1.851   5.709  -0.031
  268    H    SER  40           H        SER  40   0.663   8.513   2.579
  269    HA   SER  40           HA       SER  40  -0.230   9.763   0.120
  270   1HB   SER  40          1HB       SER  40  -1.778  11.239   1.344
  271   2HB   SER  40          2HB       SER  40  -2.234   9.560   1.555
  272    HG   SER  40           HG       SER  40  -1.399   9.559   3.658
  273    H    ARG  41           H        ARG  41   2.293   9.351   1.965
  274    HA   ARG  41           HA       ARG  41   2.893  11.778   3.113
  275   1HB   ARG  41          1HB       ARG  41   4.109   9.343   3.028
  276   2HB   ARG  41          2HB       ARG  41   5.117  10.176   1.861
  277   1HG   ARG  41          1HG       ARG  41   6.012  11.622   3.444
  278   2HG   ARG  41          2HG       ARG  41   4.544  11.665   4.401
  279   1HD   ARG  41          1HD       ARG  41   5.004   9.415   5.303
  280   2HD   ARG  41          2HD       ARG  41   6.387   9.231   4.243
  281    HE   ARG  41           HE       ARG  41   6.576  11.616   5.921
  282   1HH1  ARG  41          1HH1      ARG  41   7.154   8.147   5.807
  283   2HH1  ARG  41          2HH1      ARG  41   8.366   8.180   7.044
  284   1HH2  ARG  41          1HH2      ARG  41   8.175  11.660   7.553
  285   2HH2  ARG  41          2HH2      ARG  41   8.951  10.191   8.043
  286    H    ILE  42           H        ILE  42   3.181  10.564  -0.239
  287    HA   ILE  42           HA       ILE  42   3.567  13.253  -1.169
  288    HB   ILE  42           HB       ILE  42   5.579  12.096  -2.586
  289   1HG1  ILE  42          1HG1      ILE  42   7.113  11.054  -0.943
  290   2HG1  ILE  42          2HG1      ILE  42   5.836  11.073   0.258
  291   1HG2  ILE  42          1HG2      ILE  42   5.353  14.020  -0.355
  292   2HG2  ILE  42          2HG2      ILE  42   6.980  13.354  -0.635
  293   3HG2  ILE  42          3HG2      ILE  42   6.120  14.186  -1.953
  294   1HD1  ILE  42          1HD1      ILE  42   5.267   9.807  -2.425
  295   2HD1  ILE  42          2HD1      ILE  42   6.243   8.913  -1.234
  296   3HD1  ILE  42          3HD1      ILE  42   4.585   9.419  -0.827
  297    HA   PRO  43           HA       PRO  43   1.129  11.354  -4.210
  298   1HB   PRO  43          1HB       PRO  43   0.795  13.503  -5.865
  299   2HB   PRO  43          2HB       PRO  43  -0.177  13.238  -4.432
  300   1HG   PRO  43          1HG       PRO  43   2.019  15.172  -4.849
  301   2HG   PRO  43          2HG       PRO  43   0.777  15.172  -3.614
  302   1HD   PRO  43          1HD       PRO  43   3.519  14.396  -3.289
  303   2HD   PRO  43          2HD       PRO  43   2.249  14.287  -2.086
  304    H    GLY  44           H        GLY  44   3.996  13.137  -5.098
  305   1HA   GLY  44          1HA       GLY  44   5.667  12.478  -6.484
  306   2HA   GLY  44          2HA       GLY  44   4.387  12.546  -7.678
  307    H    VAL  45           H        VAL  45   4.792  10.236  -4.918
  308    HA   VAL  45           HA       VAL  45   5.412   8.126  -6.826
  309    HB   VAL  45           HB       VAL  45   6.303   6.967  -5.067
  310   1HG1  VAL  45          1HG1      VAL  45   6.858   9.760  -5.121
  311   2HG1  VAL  45          2HG1      VAL  45   6.883   9.239  -3.419
  312   3HG1  VAL  45          3HG1      VAL  45   7.924   8.428  -4.614
  313   1HG2  VAL  45          1HG2      VAL  45   4.254   8.373  -3.365
  314   2HG2  VAL  45          2HG2      VAL  45   4.548   6.631  -3.577
  315   3HG2  VAL  45          3HG2      VAL  45   5.679   7.613  -2.616
  316    HA   PRO  46           HA       PRO  46   1.526   6.249  -6.522
  317   1HB   PRO  46          1HB       PRO  46   2.009   3.579  -6.195
  318   2HB   PRO  46          2HB       PRO  46   2.157   4.398  -7.738
  319   1HG   PRO  46          1HG       PRO  46   4.296   3.466  -5.923
  320   2HG   PRO  46          2HG       PRO  46   4.403   3.888  -7.620
  321   1HD   PRO  46          1HD       PRO  46   5.263   5.484  -5.397
  322   2HD   PRO  46          2HD       PRO  46   5.263   5.952  -7.086
  323    H    TRP  47           H        TRP  47   0.587   7.293  -4.771
  324    HA   TRP  47           HA       TRP  47   0.991   6.978  -2.193
  325   1HB   TRP  47          1HB       TRP  47  -1.503   7.247  -3.790
  326   2HB   TRP  47          2HB       TRP  47  -1.680   6.860  -2.090
  327    HD1  TRP  47           HD1      TRP  47   1.169   9.203  -3.215
  328    HE1  TRP  47           HE1      TRP  47   0.805  11.654  -2.309
  329    HE3  TRP  47           HE3      TRP  47  -3.504   8.394  -1.381
  330    HZ2  TRP  47           HZ2      TRP  47  -1.348  12.951  -0.957
  331    HZ3  TRP  47           HZ3      TRP  47  -4.668  10.305  -0.283
  332    HH2  TRP  47           HH2      TRP  47  -3.664  12.523  -0.056
  333    H    CYS  48           H        CYS  48  -1.011   4.665  -4.166
  334    HA   CYS  48           HA       CYS  48  -0.839   2.767  -1.981
  335   1HB   CYS  48          1HB       CYS  48  -2.970   3.343  -3.329
  336   2HB   CYS  48          2HB       CYS  48  -2.286   2.328  -4.582
  337    H    PHE  49           H        PHE  49   0.925   1.417  -1.957
  338    HA   PHE  49           HA       PHE  49   1.864   0.425  -4.545
  339   1HB   PHE  49          1HB       PHE  49   4.207   0.623  -3.386
  340   2HB   PHE  49          2HB       PHE  49   3.479   2.122  -3.929
  341    HD1  PHE  49           HD1      PHE  49   3.644  -0.043  -0.892
  342    HD2  PHE  49           HD2      PHE  49   3.356   3.894  -2.450
  343    HE1  PHE  49           HE1      PHE  49   3.831   0.890   1.430
  344    HE2  PHE  49           HE2      PHE  49   3.543   4.827  -0.127
  345    HZ   PHE  49           HZ       PHE  49   3.779   3.314   1.785
  346    H    LYS  50           H        LYS  50   3.271  -1.579  -4.278
  347    HA   LYS  50           HA       LYS  50   1.908  -3.445  -2.706
  348   1HB   LYS  50          1HB       LYS  50   4.494  -3.507  -4.263
  349   2HB   LYS  50          2HB       LYS  50   3.941  -4.897  -3.350
  350   1HG   LYS  50          1HG       LYS  50   1.631  -4.153  -4.712
  351   2HG   LYS  50          2HG       LYS  50   2.878  -3.752  -5.876
  352   1HD   LYS  50          1HD       LYS  50   3.632  -6.283  -4.821
  353   2HD   LYS  50          2HD       LYS  50   1.899  -6.384  -5.059
  354   1HE   LYS  50          1HE       LYS  50   2.773  -5.096  -7.390
  355   2HE   LYS  50          2HE       LYS  50   4.063  -6.238  -7.070
  356   1HZ   LYS  50          1HZ       LYS  50   2.284  -7.932  -6.814
  357   2HZ   LYS  50          2HZ       LYS  50   1.210  -6.840  -7.380
  358   3HZ   LYS  50          3HZ       LYS  50   2.442  -7.339  -8.328
  359    HA   PRO  51           HA       PRO  51   3.977  -3.283   1.077
  360   1HB   PRO  51          1HB       PRO  51   4.026  -5.888   1.901
  361   2HB   PRO  51          2HB       PRO  51   2.603  -4.872   2.019
  362   1HG   PRO  51          1HG       PRO  51   3.174  -7.048   0.100
  363   2HG   PRO  51          2HG       PRO  51   1.632  -6.322   0.510
  364   1HD   PRO  51          1HD       PRO  51   3.179  -5.844  -1.858
  365   2HD   PRO  51          2HD       PRO  51   1.697  -5.033  -1.393
  366    H    LEU  52           H        LEU  52   5.990  -2.657   1.496
  367    HA   LEU  52           HA       LEU  52   8.126  -3.249   0.030
  368   1HB   LEU  52          1HB       LEU  52   8.468  -1.640   1.612
  369   2HB   LEU  52          2HB       LEU  52   7.755  -2.583   2.906
  370    HG   LEU  52           HG       LEU  52  10.392  -3.387   1.686
  371   1HD1  LEU  52          1HD1      LEU  52  10.389  -0.946   2.430
  372   2HD1  LEU  52          2HD1      LEU  52  10.182  -1.567   4.085
  373   3HD1  LEU  52          3HD1      LEU  52  11.623  -2.013   3.141
  374   1HD2  LEU  52          1HD2      LEU  52   8.781  -4.137   4.060
  375   2HD2  LEU  52          2HD2      LEU  52   9.873  -5.112   3.048
  376   3HD2  LEU  52          3HD2      LEU  52  10.542  -4.033   4.295
  377    H    GLN  53           H        GLN  53   9.671  -4.863  -0.231
  378    HA   GLN  53           HA       GLN  53   8.837  -7.441   0.205
  379   1HB   GLN  53          1HB       GLN  53  11.300  -8.002  -0.312
  380   2HB   GLN  53          2HB       GLN  53  10.428  -7.078  -1.519
  381   1HG   GLN  53          1HG       GLN  53  11.758  -5.405   0.550
  382   2HG   GLN  53          2HG       GLN  53  12.869  -6.353  -0.419
  383   2HE2  GLN  53          2HE2      GLN  53  11.467  -3.456  -0.181
  384   1HE2  GLN  53          1HE2      GLN  53  11.399  -2.945  -1.835
  385    H    GLU  54           H        GLU  54   8.197  -7.651   2.441
  386    HA   GLU  54           HA       GLU  54   9.857  -7.026   4.551
  387   1HB   GLU  54          1HB       GLU  54   8.353  -8.468   5.890
  388   2HB   GLU  54          2HB       GLU  54   7.443  -7.442   4.800
  389   1HG   GLU  54          1HG       GLU  54   8.041  -9.832   3.341
  390   2HG   GLU  54          2HG       GLU  54   7.515 -10.346   4.932
  391    H    ALA  55           H        ALA  55  12.006  -7.745   4.277
  392    HA   ALA  55           HA       ALA  55  12.317 -10.669   4.202
  393   1HB   ALA  55          1HB       ALA  55  14.169 -10.407   2.851
  394   2HB   ALA  55          2HB       ALA  55  14.556  -8.798   3.505
  395   3HB   ALA  55          3HB       ALA  55  13.229  -8.987   2.333
  396    H    GLU  56           H        GLU  56  12.115 -10.965   6.475
  397    HA   GLU  56           HA       GLU  56  13.732  -9.367   8.191
  398   1HB   GLU  56          1HB       GLU  56  11.415 -10.921   8.484
  399   2HB   GLU  56          2HB       GLU  56  12.628 -11.834   9.359
  400   1HG   GLU  56          1HG       GLU  56  13.270  -9.453  10.372
  401   2HG   GLU  56          2HG       GLU  56  11.652  -9.014   9.863
  402    H    CYS  57           H        CYS  57  13.894 -12.538   6.587
  403    HA   CYS  57           HA       CYS  57  15.478 -14.047   6.434
  404   1HB   CYS  57          1HB       CYS  57  17.229 -11.737   7.281
  405   2HB   CYS  57          2HB       CYS  57  17.872 -13.310   6.853
  406    H    THR  58           H        THR  58  17.466 -15.085   7.897
  407    HA   THR  58           HA       THR  58  16.347 -16.195  10.104
  408    HB   THR  58           HB       THR  58  18.401 -17.029   9.061
  409    HG1  THR  58           HG1      THR  58  18.580 -17.631  11.200
  410   1HG2  THR  58          1HG2      THR  58  19.277 -14.484   8.789
  411   2HG2  THR  58          2HG2      THR  58  20.043 -14.852  10.354
  412   3HG2  THR  58          3HG2      THR  58  20.417 -15.845   8.925
  413    H    PHE  59           H        PHE  59  18.378 -13.201  10.047
  414    HA   PHE  59           HA       PHE  59  16.894 -12.096  12.174
  415   1HB   PHE  59          1HB       PHE  59  19.387 -13.695  12.666
  416   2HB   PHE  59          2HB       PHE  59  19.417 -12.107  13.405
  417    HD1  PHE  59           HD1      PHE  59  16.780 -11.637  14.385
  418    HD2  PHE  59           HD2      PHE  59  18.921 -15.298  14.248
  419    HE1  PHE  59           HE1      PHE  59  15.419 -12.505  16.306
  420    HE2  PHE  59           HE2      PHE  59  17.560 -16.166  16.170
  421    HZ   PHE  59           HZ       PHE  59  15.825 -14.759  17.176

  No H/Q in entry =         421
  Start of MODEL   13
    1    H    GLU   1           H        GLU   1   9.213  -9.893  17.555
    2    HA   GLU   1           HA       GLU   1   9.171 -11.652  19.076
    3   1HB   GLU   1          1HB       GLU   1   7.641  -9.704  20.622
    4   2HB   GLU   1          2HB       GLU   1   6.813 -11.249  20.601
    5   1HG   GLU   1          1HG       GLU   1   8.265 -11.483  22.443
    6   2HG   GLU   1          2HG       GLU   1   9.154 -12.285  21.163
    7    H    GLU   2           H        GLU   2   6.074  -9.972  18.182
    8    HA   GLU   2           HA       GLU   2   5.199 -12.511  17.062
    9   1HB   GLU   2          1HB       GLU   2   2.921 -11.624  17.208
   10   2HB   GLU   2          2HB       GLU   2   3.711 -11.470  18.765
   11   1HG   GLU   2          1HG       GLU   2   4.135  -9.111  17.027
   12   2HG   GLU   2          2HG       GLU   2   2.441  -9.407  17.366
   13    H    TYR   3           H        TYR   3   4.305 -12.579  14.893
   14    HA   TYR   3           HA       TYR   3   5.594 -10.687  13.146
   15   1HB   TYR   3          1HB       TYR   3   5.206 -13.318  12.995
   16   2HB   TYR   3          2HB       TYR   3   3.570 -12.909  12.518
   17    HD1  TYR   3           HD1      TYR   3   7.073 -11.896  11.595
   18    HD2  TYR   3           HD2      TYR   3   3.134 -12.882  10.245
   19    HE1  TYR   3           HE1      TYR   3   7.831 -11.650   9.181
   20    HE2  TYR   3           HE2      TYR   3   3.906 -12.632   7.835
   21    HH   TYR   3           HH       TYR   3   7.167 -11.493   7.096
   22    H    VAL   4           H        VAL   4   3.985 -10.331  11.010
   23    HA   VAL   4           HA       VAL   4   2.315  -9.139  10.191
   24    HB   VAL   4           HB       VAL   4   1.044 -10.455  12.539
   25   1HG1  VAL   4          1HG1      VAL   4  -0.067  -8.039  11.132
   26   2HG1  VAL   4          2HG1      VAL   4  -1.163  -9.323  11.696
   27   3HG1  VAL   4          3HG1      VAL   4  -0.117  -8.473  12.858
   28   1HG2  VAL   4          1HG2      VAL   4   0.963 -10.593   9.573
   29   2HG2  VAL   4          2HG2      VAL   4   0.854 -11.888  10.790
   30   3HG2  VAL   4          3HG2      VAL   4  -0.576 -10.895  10.415
   31    H    GLY   5           H        GLY   5   3.408  -7.153  10.237
   32   1HA   GLY   5          1HA       GLY   5   4.090  -5.149  11.086
   33   2HA   GLY   5          2HA       GLY   5   3.442  -5.575  12.658
   34    H    LEU   6           H        LEU   6   0.946  -6.364  10.635
   35    HA   LEU   6           HA       LEU   6  -0.811  -5.283   9.751
   36   1HB   LEU   6          1HB       LEU   6  -2.052  -4.001  11.512
   37   2HB   LEU   6          2HB       LEU   6  -1.595  -5.643  11.917
   38    HG   LEU   6           HG       LEU   6   0.132  -3.332  12.779
   39   1HD1  LEU   6          1HD1      LEU   6  -2.352  -4.332  14.198
   40   2HD1  LEU   6          2HD1      LEU   6  -1.117  -3.270  14.917
   41   3HD1  LEU   6          3HD1      LEU   6  -2.076  -2.706  13.527
   42   1HD2  LEU   6          1HD2      LEU   6   0.093  -6.194  13.183
   43   2HD2  LEU   6          2HD2      LEU   6   1.341  -4.998  13.609
   44   3HD2  LEU   6          3HD2      LEU   6   0.007  -5.333  14.739
   45    H    SER   7           H        SER   7   0.034  -4.087   8.011
   46    HA   SER   7           HA       SER   7   0.622  -2.333   6.870
   47   1HB   SER   7          1HB       SER   7  -0.676  -0.369   7.143
   48   2HB   SER   7          2HB       SER   7  -1.673  -1.637   7.826
   49    HG   SER   7           HG       SER   7  -1.435   0.392   9.131
   50    H    ALA   8           H        ALA   8   1.456   0.262   7.309
   51    HA   ALA   8           HA       ALA   8   3.132   1.516   8.027
   52   1HB   ALA   8          1HB       ALA   8   2.353  -0.025  10.426
   53   2HB   ALA   8          2HB       ALA   8   2.661   1.718  10.236
   54   3HB   ALA   8          3HB       ALA   8   4.022   0.594  10.467
   55    H    ASN   9           H        ASN   9   4.106  -1.639   9.533
   56    HA   ASN   9           HA       ASN   9   6.705  -1.483   8.816
   57   1HB   ASN   9          1HB       ASN   9   4.945  -3.444   9.927
   58   2HB   ASN   9          2HB       ASN   9   5.765  -4.253   8.606
   59   2HD2  ASN   9          2HD2      ASN   9   5.889  -3.699  11.788
   60   1HD2  ASN   9          1HD2      ASN   9   7.588  -3.798  12.109
   61    H    GLN  10           H        GLN  10   4.206  -3.606   7.200
   62    HA   GLN  10           HA       GLN  10   5.714  -4.264   5.033
   63   1HB   GLN  10          1HB       GLN  10   3.368  -4.541   3.902
   64   2HB   GLN  10          2HB       GLN  10   3.751  -5.515   5.308
   65   1HG   GLN  10          1HG       GLN  10   2.669  -3.002   6.237
   66   2HG   GLN  10          2HG       GLN  10   1.607  -3.615   4.985
   67   2HE2  GLN  10          2HE2      GLN  10   3.676  -5.402   7.241
   68   1HE2  GLN  10          1HE2      GLN  10   2.422  -6.267   8.065
   69    H    CYS  11           H        CYS  11   3.726  -1.345   5.638
   70    HA   CYS  11           HA       CYS  11   4.367  -0.395   2.961
   71   1HB   CYS  11          1HB       CYS  11   2.713   1.266   4.768
   72   2HB   CYS  11          2HB       CYS  11   2.548   0.946   3.053
   73    H    ALA  12           H        ALA  12   6.540  -0.707   4.793
   74    HA   ALA  12           HA       ALA  12   7.010   1.994   5.807
   75   1HB   ALA  12          1HB       ALA  12   8.679  -0.514   6.206
   76   2HB   ALA  12          2HB       ALA  12   7.308  -0.078   7.253
   77   3HB   ALA  12          3HB       ALA  12   8.726   0.992   7.153
   78    H    VAL  13           H        VAL  13   6.898   1.755   2.991
   79    HA   VAL  13           HA       VAL  13   9.672   1.548   2.138
   80    HB   VAL  13           HB       VAL  13   7.671   2.343   0.165
   81   1HG1  VAL  13          1HG1      VAL  13  10.025   0.646   0.419
   82   2HG1  VAL  13          2HG1      VAL  13   8.720  -0.163  -0.481
   83   3HG1  VAL  13          3HG1      VAL  13   9.326   1.420  -1.023
   84   1HG2  VAL  13          1HG2      VAL  13   7.165  -0.050   1.919
   85   2HG2  VAL  13          2HG2      VAL  13   6.016   1.146   1.272
   86   3HG2  VAL  13          3HG2      VAL  13   6.714  -0.090   0.197
   87    HA   PRO  14           HA       PRO  14  10.228   5.832   2.090
   88   1HB   PRO  14          1HB       PRO  14  12.144   6.129   0.164
   89   2HB   PRO  14          2HB       PRO  14  12.502   5.614   1.800
   90   1HG   PRO  14          1HG       PRO  14  12.412   3.998  -0.674
   91   2HG   PRO  14          2HG       PRO  14  13.165   3.614   0.861
   92   1HD   PRO  14          1HD       PRO  14  10.688   2.574  -0.143
   93   2HD   PRO  14          2HD       PRO  14  11.383   2.281   1.439
   94    H    ALA  15           H        ALA  15  10.277   4.756  -1.282
   95    HA   ALA  15           HA       ALA  15   7.929   5.681  -2.122
   96   1HB   ALA  15          1HB       ALA  15   9.631   7.944  -1.328
   97   2HB   ALA  15          2HB       ALA  15   7.884   7.894  -1.666
   98   3HB   ALA  15          3HB       ALA  15   9.045   8.068  -3.004
   99    H    LYS  16           H        LYS  16  11.397   5.346  -2.539
  100    HA   LYS  16           HA       LYS  16  11.124   5.300  -5.436
  101   1HB   LYS  16          1HB       LYS  16  13.546   5.227  -5.466
  102   2HB   LYS  16          2HB       LYS  16  12.998   6.540  -4.444
  103   1HG   LYS  16          1HG       LYS  16  14.535   5.624  -2.984
  104   2HG   LYS  16          2HG       LYS  16  13.162   4.631  -2.538
  105   1HD   LYS  16          1HD       LYS  16  14.963   3.093  -2.902
  106   2HD   LYS  16          2HD       LYS  16  13.936   2.944  -4.314
  107   1HE   LYS  16          1HE       LYS  16  15.818   3.316  -5.544
  108   2HE   LYS  16          2HE       LYS  16  15.664   4.996  -5.070
  109   1HZ   LYS  16          1HZ       LYS  16  16.868   3.909  -2.949
  110   2HZ   LYS  16          2HZ       LYS  16  17.522   3.033  -4.163
  111   3HZ   LYS  16          3HZ       LYS  16  17.648   4.662  -4.171
  112    H    ASP  17           H        ASP  17  10.393   3.249  -2.965
  113    HA   ASP  17           HA       ASP  17  11.351   0.950  -4.483
  114   1HB   ASP  17          1HB       ASP  17  11.323   1.574  -1.617
  115   2HB   ASP  17          2HB       ASP  17  10.458   0.082  -1.930
  116    H    ARG  18           H        ARG  18   8.779   2.867  -4.359
  117    HA   ARG  18           HA       ARG  18   6.737   1.091  -3.548
  118   1HB   ARG  18          1HB       ARG  18   6.374   3.544  -5.322
  119   2HB   ARG  18          2HB       ARG  18   5.215   2.854  -4.203
  120   1HG   ARG  18          1HG       ARG  18   7.867   4.145  -3.401
  121   2HG   ARG  18          2HG       ARG  18   6.300   4.923  -3.298
  122   1HD   ARG  18          1HD       ARG  18   5.570   2.934  -1.801
  123   2HD   ARG  18          2HD       ARG  18   7.264   2.492  -1.730
  124    HE   ARG  18           HE       ARG  18   7.565   4.203  -0.182
  125   1HH1  ARG  18          1HH1      ARG  18   4.804   5.016  -2.207
  126   2HH1  ARG  18          2HH1      ARG  18   4.440   6.475  -1.347
  127   1HH2  ARG  18          1HH2      ARG  18   7.085   6.128   0.953
  128   2HH2  ARG  18          2HH2      ARG  18   5.747   7.112   0.462
  129    H    VAL  19           H        VAL  19   5.978  -0.614  -4.761
  130    HA   VAL  19           HA       VAL  19   6.702  -0.754  -7.549
  131    HB   VAL  19           HB       VAL  19   4.997  -2.732  -6.070
  132   1HG1  VAL  19          1HG1      VAL  19   6.111  -2.648  -8.624
  133   2HG1  VAL  19          2HG1      VAL  19   7.194  -3.727  -7.713
  134   3HG1  VAL  19          3HG1      VAL  19   5.451  -4.080  -7.798
  135   1HG2  VAL  19          1HG2      VAL  19   7.743  -1.925  -5.386
  136   2HG2  VAL  19          2HG2      VAL  19   6.556  -2.868  -4.454
  137   3HG2  VAL  19          3HG2      VAL  19   7.557  -3.669  -5.689
  138    H    ASP  20           H        ASP  20   4.197   0.632  -5.717
  139    HA   ASP  20           HA       ASP  20   2.266   1.475  -6.220
  140   1HB   ASP  20          1HB       ASP  20   3.169   2.549  -8.148
  141   2HB   ASP  20          2HB       ASP  20   3.351   1.038  -9.018
  142    H    CYS  21           H        CYS  21   0.361   0.352  -5.786
  143    HA   CYS  21           HA       CYS  21   0.101  -2.327  -6.795
  144   1HB   CYS  21          1HB       CYS  21  -0.511  -1.288  -4.422
  145   2HB   CYS  21          2HB       CYS  21  -2.050  -1.001  -5.209
  146    H    GLY  22           H        GLY  22  -1.024   0.957  -7.444
  147   1HA   GLY  22          1HA       GLY  22  -2.250   0.164  -9.895
  148   2HA   GLY  22          2HA       GLY  22  -2.184   1.773  -9.202
  149    H    TYR  23           H        TYR  23  -3.832   2.475  -7.688
  150    HA   TYR  23           HA       TYR  23  -6.298   0.933  -8.002
  151   1HB   TYR  23          1HB       TYR  23  -4.737   1.764  -5.535
  152   2HB   TYR  23          2HB       TYR  23  -6.478   1.936  -5.434
  153    HD1  TYR  23           HD1      TYR  23  -7.797  -0.263  -6.353
  154    HD2  TYR  23           HD2      TYR  23  -3.836  -0.214  -4.737
  155    HE1  TYR  23           HE1      TYR  23  -7.999  -2.728  -5.764
  156    HE2  TYR  23           HE2      TYR  23  -4.052  -2.679  -4.153
  157    HH   TYR  23           HH       TYR  23  -6.707  -4.578  -5.305
  158    HA   PRO  24           HA       PRO  24  -7.891   4.893  -8.728
  159   1HB   PRO  24          1HB       PRO  24 -10.568   4.403  -8.480
  160   2HB   PRO  24          2HB       PRO  24  -9.657   4.034  -9.931
  161   1HG   PRO  24          1HG       PRO  24 -10.664   2.186  -7.855
  162   2HG   PRO  24          2HG       PRO  24 -10.140   1.823  -9.488
  163   1HD   PRO  24          1HD       PRO  24  -8.667   1.362  -7.070
  164   2HD   PRO  24          2HD       PRO  24  -8.099   1.108  -8.708
  165    H    HIS  25           H        HIS  25 -10.027   3.573  -6.243
  166    HA   HIS  25           HA       HIS  25  -9.737   6.097  -4.854
  167   1HB   HIS  25          1HB       HIS  25 -11.644   5.433  -3.581
  168   2HB   HIS  25          2HB       HIS  25 -11.975   5.104  -5.270
  169    HD1  HIS  25           HD1      HIS  25 -13.595   3.629  -3.132
  170    HD2  HIS  25           HD2      HIS  25 -10.044   2.128  -4.784
  171    HE1  HIS  25           HE1      HIS  25 -13.663   1.100  -2.794
  172    HE2  HIS  25           HE2      HIS  25 -11.481   0.228  -3.878
  173    H    VAL  26           H        VAL  26  -7.517   5.876  -4.166
  174    HA   VAL  26           HA       VAL  26  -7.019   3.677  -2.312
  175    HB   VAL  26           HB       VAL  26  -4.674   4.481  -2.458
  176   1HG1  VAL  26          1HG1      VAL  26  -5.459   2.661  -3.889
  177   2HG1  VAL  26          2HG1      VAL  26  -6.017   3.835  -5.105
  178   3HG1  VAL  26          3HG1      VAL  26  -4.279   3.673  -4.757
  179   1HG2  VAL  26          1HG2      VAL  26  -5.872   6.790  -3.565
  180   2HG2  VAL  26          2HG2      VAL  26  -4.138   6.459  -3.338
  181   3HG2  VAL  26          3HG2      VAL  26  -4.932   6.036  -4.874
  182    H    THR  27           H        THR  27  -6.735   3.981  -0.118
  183    HA   THR  27           HA       THR  27  -6.463   6.678   0.904
  184    HB   THR  27           HB       THR  27  -8.567   6.794   1.957
  185    HG1  THR  27           HG1      THR  27  -9.582   4.836   2.619
  186   1HG2  THR  27          1HG2      THR  27  -9.079   4.972  -0.454
  187   2HG2  THR  27          2HG2      THR  27 -10.347   5.844   0.441
  188   3HG2  THR  27          3HG2      THR  27  -9.111   6.752  -0.462
  189    HA   PRO  28           HA       PRO  28  -4.452   4.656   4.115
  190   1HB   PRO  28          1HB       PRO  28  -5.132   6.018   6.384
  191   2HB   PRO  28          2HB       PRO  28  -3.958   6.611   5.227
  192   1HG   PRO  28          1HG       PRO  28  -6.740   7.507   5.668
  193   2HG   PRO  28          2HG       PRO  28  -5.437   8.338   4.842
  194   1HD   PRO  28          1HD       PRO  28  -7.646   6.973   3.625
  195   2HD   PRO  28          2HD       PRO  28  -6.283   7.703   2.801
  196    H    LYS  29           H        LYS  29  -6.760   3.290   3.303
  197    HA   LYS  29           HA       LYS  29  -6.943   1.455   5.369
  198   1HB   LYS  29          1HB       LYS  29  -8.256   3.577   6.272
  199   2HB   LYS  29          2HB       LYS  29  -9.545   2.936   5.273
  200   1HG   LYS  29          1HG       LYS  29  -8.115   0.940   6.990
  201   2HG   LYS  29          2HG       LYS  29  -9.082   2.126   7.845
  202   1HD   LYS  29          1HD       LYS  29 -10.506   1.054   5.501
  203   2HD   LYS  29          2HD       LYS  29 -10.025  -0.222   6.601
  204   1HE   LYS  29          1HE       LYS  29 -10.980   1.720   8.356
  205   2HE   LYS  29          2HE       LYS  29 -12.037   1.929   6.974
  206   1HZ   LYS  29          1HZ       LYS  29 -11.817  -0.768   7.328
  207   2HZ   LYS  29          2HZ       LYS  29 -11.981  -0.169   8.838
  208   3HZ   LYS  29          3HZ       LYS  29 -13.105   0.164   7.701
  209    H    GLU  30           H        GLU  30  -8.855   3.104   2.770
  210    HA   GLU  30           HA       GLU  30 -10.086   0.734   1.949
  211   1HB   GLU  30          1HB       GLU  30 -11.077   2.888   1.420
  212   2HB   GLU  30          2HB       GLU  30  -9.641   3.408   0.561
  213   1HG   GLU  30          1HG       GLU  30 -10.352   2.429  -1.359
  214   2HG   GLU  30          2HG       GLU  30 -10.556   0.884  -0.558
  215    H    CYS  31           H        CYS  31  -7.128   2.507   0.891
  216    HA   CYS  31           HA       CYS  31  -6.613   0.895  -1.330
  217   1HB   CYS  31          1HB       CYS  31  -5.440   2.842  -1.422
  218   2HB   CYS  31          2HB       CYS  31  -5.098   2.865   0.296
  219    H    ASN  32           H        ASN  32  -5.781   0.716   2.168
  220    HA   ASN  32           HA       ASN  32  -4.114  -1.553   1.766
  221   1HB   ASN  32          1HB       ASN  32  -3.505  -0.195   3.639
  222   2HB   ASN  32          2HB       ASN  32  -5.165  -0.026   4.177
  223   2HD2  ASN  32          2HD2      ASN  32  -5.951  -1.355   5.655
  224   1HD2  ASN  32          1HD2      ASN  32  -5.179  -2.775   6.277
  225    H    ASN  33           H        ASN  33  -7.461  -0.978   1.788
  226    HA   ASN  33           HA       ASN  33  -8.133  -3.408   3.178
  227   1HB   ASN  33          1HB       ASN  33  -9.586  -1.451   3.541
  228   2HB   ASN  33          2HB       ASN  33  -9.817  -1.244   1.817
  229   2HD2  ASN  33          2HD2      ASN  33 -12.047  -1.329   3.052
  230   1HD2  ASN  33          1HD2      ASN  33 -12.874  -2.848   2.961
  231    H    ARG  34           H        ARG  34  -8.080  -1.903  -0.093
  232    HA   ARG  34           HA       ARG  34  -9.513  -3.837  -1.419
  233   1HB   ARG  34          1HB       ARG  34  -8.349  -1.466  -2.121
  234   2HB   ARG  34          2HB       ARG  34  -7.190  -2.565  -2.843
  235   1HG   ARG  34          1HG       ARG  34  -9.102  -1.876  -4.378
  236   2HG   ARG  34          2HG       ARG  34  -8.875  -3.607  -4.222
  237   1HD   ARG  34          1HD       ARG  34 -10.820  -3.895  -2.937
  238   2HD   ARG  34          2HD       ARG  34 -10.769  -2.267  -2.292
  239    HE   ARG  34           HE       ARG  34 -12.080  -1.574  -4.089
  240   1HH1  ARG  34          1HH1      ARG  34 -10.403  -4.530  -5.004
  241   2HH1  ARG  34          2HH1      ARG  34 -11.190  -4.652  -6.542
  242   1HH2  ARG  34          1HH2      ARG  34 -13.118  -1.734  -6.119
  243   2HH2  ARG  34          2HH2      ARG  34 -12.744  -3.051  -7.181
  244    H    GLY  35           H        GLY  35  -6.284  -3.864  -0.061
  245   1HA   GLY  35          1HA       GLY  35  -5.747  -6.443  -1.409
  246   2HA   GLY  35          2HA       GLY  35  -5.336  -6.078   0.255
  247    H    CYS  36           H        CYS  36  -3.832  -4.110   0.601
  248    HA   CYS  36           HA       CYS  36  -1.457  -4.540  -0.655
  249   1HB   CYS  36          1HB       CYS  36  -3.129  -3.219  -2.457
  250   2HB   CYS  36          2HB       CYS  36  -2.108  -1.951  -1.809
  251    H    CYS  37           H        CYS  37  -0.562  -1.698  -0.706
  252    HA   CYS  37           HA       CYS  37  -1.099  -1.013   2.092
  253   1HB   CYS  37          1HB       CYS  37   1.481  -1.295   0.630
  254   2HB   CYS  37          2HB       CYS  37   1.346   0.018   1.783
  255    H    PHE  38           H        PHE  38  -1.094   1.322   2.535
  256    HA   PHE  38           HA       PHE  38  -1.488   2.892   0.085
  257   1HB   PHE  38          1HB       PHE  38  -3.545   2.586   1.439
  258   2HB   PHE  38          2HB       PHE  38  -2.682   2.970   2.915
  259    HD1  PHE  38           HD1      PHE  38  -4.053   4.387  -0.198
  260    HD2  PHE  38           HD2      PHE  38  -2.340   5.235   3.591
  261    HE1  PHE  38           HE1      PHE  38  -4.716   6.796  -0.437
  262    HE2  PHE  38           HE2      PHE  38  -3.003   7.643   3.352
  263    HZ   PHE  38           HZ       PHE  38  -4.184   8.395   1.341
  264    H    ASP  39           H        ASP  39  -1.249   5.394   0.655
  265    HA   ASP  39           HA       ASP  39   0.412   6.156   2.705
  266   1HB   ASP  39          1HB       ASP  39   2.146   4.798   1.572
  267   2HB   ASP  39          2HB       ASP  39   1.847   5.632   0.060
  268    H    SER  40           H        SER  40   0.606   8.487   2.643
  269    HA   SER  40           HA       SER  40  -0.197   9.727   0.142
  270   1HB   SER  40          1HB       SER  40  -1.700  11.273   1.352
  271   2HB   SER  40          2HB       SER  40  -2.218   9.610   1.548
  272    HG   SER  40           HG       SER  40  -1.912  11.257   3.506
  273    H    ARG  41           H        ARG  41   2.339   9.278   1.892
  274    HA   ARG  41           HA       ARG  41   3.009  11.664   3.085
  275   1HB   ARG  41          1HB       ARG  41   4.188   9.222   2.904
  276   2HB   ARG  41          2HB       ARG  41   5.161  10.061   1.712
  277   1HG   ARG  41          1HG       ARG  41   4.924  11.816   3.973
  278   2HG   ARG  41          2HG       ARG  41   5.304  10.226   4.604
  279   1HD   ARG  41          1HD       ARG  41   7.045  10.360   2.459
  280   2HD   ARG  41          2HD       ARG  41   6.973  12.046   2.930
  281    HE   ARG  41           HE       ARG  41   7.292  10.576   5.322
  282   1HH1  ARG  41          1HH1      ARG  41   9.101  11.134   2.356
  283   2HH1  ARG  41          2HH1      ARG  41  10.647  10.911   3.106
  284   1HH2  ARG  41          1HH2      ARG  41   9.331  10.281   6.312
  285   2HH2  ARG  41          2HH2      ARG  41  10.778  10.423   5.371
  286    H    ILE  42           H        ILE  42   3.260  10.509  -0.304
  287    HA   ILE  42           HA       ILE  42   3.568  13.218  -1.197
  288    HB   ILE  42           HB       ILE  42   5.613  12.156  -2.633
  289   1HG1  ILE  42          1HG1      ILE  42   7.180  11.126  -1.007
  290   2HG1  ILE  42          2HG1      ILE  42   5.894  11.062   0.182
  291   1HG2  ILE  42          1HG2      ILE  42   5.271  14.365  -1.272
  292   2HG2  ILE  42          2HG2      ILE  42   6.223  13.515  -0.030
  293   3HG2  ILE  42          3HG2      ILE  42   6.911  13.784  -1.649
  294   1HD1  ILE  42          1HD1      ILE  42   5.546   9.817  -2.570
  295   2HD1  ILE  42          2HD1      ILE  42   6.318   8.929  -1.234
  296   3HD1  ILE  42          3HD1      ILE  42   4.632   9.480  -1.080
  297    HA   PRO  43           HA       PRO  43   1.209  11.319  -4.293
  298   1HB   PRO  43          1HB       PRO  43   0.927  13.449  -5.981
  299   2HB   PRO  43          2HB       PRO  43  -0.074  13.211  -4.563
  300   1HG   PRO  43          1HG       PRO  43   2.148  15.119  -4.964
  301   2HG   PRO  43          2HG       PRO  43   0.882  15.147  -3.752
  302   1HD   PRO  43          1HD       PRO  43   3.610  14.350  -3.366
  303   2HD   PRO  43          2HD       PRO  43   2.318  14.268  -2.186
  304    H    GLY  44           H        GLY  44   4.095  13.084  -5.169
  305   1HA   GLY  44          1HA       GLY  44   5.782  12.416  -6.527
  306   2HA   GLY  44          2HA       GLY  44   4.513  12.417  -7.734
  307    H    VAL  45           H        VAL  45   4.632  10.193  -4.917
  308    HA   VAL  45           HA       VAL  45   5.409   8.029  -6.728
  309    HB   VAL  45           HB       VAL  45   6.305   6.953  -4.931
  310   1HG1  VAL  45          1HG1      VAL  45   6.465   9.917  -4.428
  311   2HG1  VAL  45          2HG1      VAL  45   7.251   8.774  -3.313
  312   3HG1  VAL  45          3HG1      VAL  45   7.712   8.799  -5.032
  313   1HG2  VAL  45          1HG2      VAL  45   4.201   8.347  -3.278
  314   2HG2  VAL  45          2HG2      VAL  45   4.489   6.604  -3.501
  315   3HG2  VAL  45          3HG2      VAL  45   5.608   7.572  -2.511
  316    HA   PRO  46           HA       PRO  46   1.513   6.175  -6.434
  317   1HB   PRO  46          1HB       PRO  46   1.999   3.508  -6.088
  318   2HB   PRO  46          2HB       PRO  46   2.149   4.316  -7.636
  319   1HG   PRO  46          1HG       PRO  46   4.285   3.399  -5.810
  320   2HG   PRO  46          2HG       PRO  46   4.395   3.810  -7.510
  321   1HD   PRO  46          1HD       PRO  46   5.248   5.422  -5.296
  322   2HD   PRO  46          2HD       PRO  46   5.251   5.879  -6.988
  323    H    TRP  47           H        TRP  47   0.603   7.252  -4.677
  324    HA   TRP  47           HA       TRP  47   1.001   6.929  -2.099
  325   1HB   TRP  47          1HB       TRP  47  -1.504   7.215  -3.685
  326   2HB   TRP  47          2HB       TRP  47  -1.659   6.876  -1.973
  327    HD1  TRP  47           HD1      TRP  47   1.209   9.140  -3.203
  328    HE1  TRP  47           HE1      TRP  47   0.900  11.620  -2.357
  329    HE3  TRP  47           HE3      TRP  47  -3.447   8.458  -1.278
  330    HZ2  TRP  47           HZ2      TRP  47  -1.210  12.988  -1.008
  331    HZ3  TRP  47           HZ3      TRP  47  -4.562  10.418  -0.213
  332    HH2  TRP  47           HH2      TRP  47  -3.519  12.623  -0.061
  333    H    CYS  48           H        CYS  48  -1.016   4.643  -4.087
  334    HA   CYS  48           HA       CYS  48  -0.888   2.744  -1.897
  335   1HB   CYS  48          1HB       CYS  48  -3.011   3.346  -3.228
  336   2HB   CYS  48          2HB       CYS  48  -2.341   2.352  -4.506
  337    H    PHE  49           H        PHE  49   0.907   1.432  -1.868
  338    HA   PHE  49           HA       PHE  49   1.820   0.404  -4.455
  339   1HB   PHE  49          1HB       PHE  49   4.162   0.577  -3.296
  340   2HB   PHE  49          2HB       PHE  49   3.449   2.087  -3.829
  341    HD1  PHE  49           HD1      PHE  49   3.592  -0.100  -0.807
  342    HD2  PHE  49           HD2      PHE  49   3.346   3.850  -2.338
  343    HE1  PHE  49           HE1      PHE  49   3.789   0.816   1.522
  344    HE2  PHE  49           HE2      PHE  49   3.543   4.766  -0.009
  345    HZ   PHE  49           HZ       PHE  49   3.762   3.237   1.893
  346    H    LYS  50           H        LYS  50   3.243  -1.603  -4.162
  347    HA   LYS  50           HA       LYS  50   1.842  -3.453  -2.582
  348   1HB   LYS  50          1HB       LYS  50   4.362  -3.540  -4.230
  349   2HB   LYS  50          2HB       LYS  50   3.892  -4.914  -3.250
  350   1HG   LYS  50          1HG       LYS  50   1.505  -4.147  -4.557
  351   2HG   LYS  50          2HG       LYS  50   2.745  -3.958  -5.781
  352   1HD   LYS  50          1HD       LYS  50   3.344  -6.411  -4.455
  353   2HD   LYS  50          2HD       LYS  50   1.607  -6.413  -4.690
  354   1HE   LYS  50          1HE       LYS  50   2.668  -5.422  -7.130
  355   2HE   LYS  50          2HE       LYS  50   3.738  -6.734  -6.675
  356   1HZ   LYS  50          1HZ       LYS  50   1.408  -7.838  -6.179
  357   2HZ   LYS  50          2HZ       LYS  50   0.948  -6.825  -7.374
  358   3HZ   LYS  50          3HZ       LYS  50   2.127  -7.922  -7.643
  359    HA   PRO  51           HA       PRO  51   3.989  -3.337   1.159
  360   1HB   PRO  51          1HB       PRO  51   4.054  -5.949   1.963
  361   2HB   PRO  51          2HB       PRO  51   2.633  -4.934   2.115
  362   1HG   PRO  51          1HG       PRO  51   3.168  -7.095   0.170
  363   2HG   PRO  51          2HG       PRO  51   1.635  -6.373   0.614
  364   1HD   PRO  51          1HD       PRO  51   3.136  -5.877  -1.779
  365   2HD   PRO  51          2HD       PRO  51   1.663  -5.070  -1.280
  366    H    LEU  52           H        LEU  52   6.009  -2.712   1.541
  367    HA   LEU  52           HA       LEU  52   8.122  -3.248   0.049
  368   1HB   LEU  52          1HB       LEU  52   8.238  -1.707   1.846
  369   2HB   LEU  52          2HB       LEU  52   7.964  -2.957   3.043
  370    HG   LEU  52           HG       LEU  52  10.435  -2.774   1.297
  371   1HD1  LEU  52          1HD1      LEU  52   9.742  -1.087   3.400
  372   2HD1  LEU  52          2HD1      LEU  52  10.838  -2.284   4.134
  373   3HD1  LEU  52          3HD1      LEU  52  11.367  -1.341   2.720
  374   1HD2  LEU  52          1HD2      LEU  52   9.423  -4.781   3.187
  375   2HD2  LEU  52          2HD2      LEU  52  10.657  -4.914   1.911
  376   3HD2  LEU  52          3HD2      LEU  52  11.094  -4.257   3.506
  377    H    GLN  53           H        GLN  53   9.246  -4.981  -0.660
  378    HA   GLN  53           HA       GLN  53   8.518  -7.531   0.228
  379   1HB   GLN  53          1HB       GLN  53  10.062  -8.345  -1.418
  380   2HB   GLN  53          2HB       GLN  53   9.356  -6.887  -2.088
  381   1HG   GLN  53          1HG       GLN  53  12.153  -7.368  -1.103
  382   2HG   GLN  53          2HG       GLN  53  11.610  -6.469  -2.505
  383   2HE2  GLN  53          2HE2      GLN  53  10.379  -4.451  -2.066
  384   1HE2  GLN  53          1HE2      GLN  53  10.902  -3.429  -0.769
  385    H    GLU  54           H        GLU  54   9.015  -6.731   2.622
  386    HA   GLU  54           HA       GLU  54  11.387  -6.307   3.676
  387   1HB   GLU  54          1HB       GLU  54  10.587  -7.277   5.722
  388   2HB   GLU  54          2HB       GLU  54   9.176  -6.666   4.881
  389   1HG   GLU  54          1HG       GLU  54   8.323  -8.757   5.259
  390   2HG   GLU  54          2HG       GLU  54   9.270  -9.210   3.856
  391    H    ALA  55           H        ALA  55  13.387  -7.255   3.745
  392    HA   ALA  55           HA       ALA  55  13.730 -10.048   3.913
  393   1HB   ALA  55          1HB       ALA  55  14.069 -10.700   1.771
  394   2HB   ALA  55          2HB       ALA  55  13.158  -9.234   1.334
  395   3HB   ALA  55          3HB       ALA  55  14.937  -9.202   1.356
  396    H    GLU  56           H        GLU  56  15.435  -7.270   2.290
  397    HA   GLU  56           HA       GLU  56  17.089  -6.815   4.480
  398   1HB   GLU  56          1HB       GLU  56  17.953  -9.096   3.568
  399   2HB   GLU  56          2HB       GLU  56  18.579  -8.180   2.212
  400   1HG   GLU  56          1HG       GLU  56  19.213  -7.487   5.116
  401   2HG   GLU  56          2HG       GLU  56  20.217  -8.549   4.148
  402    H    CYS  57           H        CYS  57  16.632  -4.631   4.044
  403    HA   CYS  57           HA       CYS  57  17.676  -3.668   1.479
  404   1HB   CYS  57          1HB       CYS  57  15.093  -3.406   2.473
  405   2HB   CYS  57          2HB       CYS  57  15.835  -1.860   2.838
  406    H    THR  58           H        THR  58  16.842  -2.514   4.839
  407    HA   THR  58           HA       THR  58  18.908  -0.560   4.817
  408    HB   THR  58           HB       THR  58  17.018  -1.738   6.908
  409    HG1  THR  58           HG1      THR  58  15.868  -0.136   5.908
  410   1HG2  THR  58          1HG2      THR  58  19.419  -0.532   7.607
  411   2HG2  THR  58          2HG2      THR  58  18.345   0.877   7.436
  412   3HG2  THR  58          3HG2      THR  58  17.928  -0.427   8.574
  413    H    PHE  59           H        PHE  59  21.028  -0.800   5.090
  414    HA   PHE  59           HA       PHE  59  22.952  -1.876   5.399
  415   1HB   PHE  59          1HB       PHE  59  21.448  -1.458   7.864
  416   2HB   PHE  59          2HB       PHE  59  22.367  -2.939   8.050
  417    HD1  PHE  59           HD1      PHE  59  23.082   0.382   6.478
  418    HD2  PHE  59           HD2      PHE  59  24.291  -2.591   9.255
  419    HE1  PHE  59           HE1      PHE  59  25.132   1.723   7.022
  420    HE2  PHE  59           HE2      PHE  59  26.341  -1.250   9.799
  421    HZ   PHE  59           HZ       PHE  59  26.737   0.892   8.676

  No H/Q in entry =         421
  Start of MODEL   14
    1    H    GLU   1           H        GLU   1   9.666 -14.194  21.910
    2    HA   GLU   1           HA       GLU   1   7.285 -14.522  20.589
    3   1HB   GLU   1          1HB       GLU   1   8.757 -12.303  21.891
    4   2HB   GLU   1          2HB       GLU   1   7.632 -11.767  20.659
    5   1HG   GLU   1          1HG       GLU   1   6.859 -13.725  22.869
    6   2HG   GLU   1          2HG       GLU   1   6.666 -11.990  23.024
    7    H    GLU   2           H        GLU   2   6.505 -13.998  18.525
    8    HA   GLU   2           HA       GLU   2   8.609 -13.401  16.617
    9   1HB   GLU   2          1HB       GLU   2   6.940 -15.446  16.496
   10   2HB   GLU   2          2HB       GLU   2   5.808 -14.266  15.865
   11   1HG   GLU   2          1HG       GLU   2   8.540 -14.212  14.644
   12   2HG   GLU   2          2HG       GLU   2   7.592 -15.647  14.308
   13    H    TYR   3           H        TYR   3   8.488 -11.627  15.182
   14    HA   TYR   3           HA       TYR   3   7.099  -9.380  16.116
   15   1HB   TYR   3          1HB       TYR   3   9.242  -9.858  14.544
   16   2HB   TYR   3          2HB       TYR   3   8.060  -9.855  13.250
   17    HD1  TYR   3           HD1      TYR   3   8.461  -7.699  16.302
   18    HD2  TYR   3           HD2      TYR   3   8.259  -7.890  12.033
   19    HE1  TYR   3           HE1      TYR   3   8.598  -5.163  16.174
   20    HE2  TYR   3           HE2      TYR   3   8.397  -5.354  11.920
   21    HH   TYR   3           HH       TYR   3   8.327  -3.412  14.861
   22    H    VAL   4           H        VAL   4   5.674  -7.999  14.565
   23    HA   VAL   4           HA       VAL   4   3.931  -9.622  12.915
   24    HB   VAL   4           HB       VAL   4   3.147  -8.356  15.515
   25   1HG1  VAL   4          1HG1      VAL   4   1.647  -8.186  12.996
   26   2HG1  VAL   4          2HG1      VAL   4   0.729  -8.942  14.320
   27   3HG1  VAL   4          3HG1      VAL   4   1.418  -7.314  14.531
   28   1HG2  VAL   4          1HG2      VAL   4   2.924 -11.020  14.191
   29   2HG2  VAL   4          2HG2      VAL   4   3.264 -10.604  15.888
   30   3HG2  VAL   4          3HG2      VAL   4   1.596 -10.527  15.270
   31    H    GLY   5           H        GLY   5   3.879  -8.521  11.030
   32   1HA   GLY   5          1HA       GLY   5   4.733  -6.439   9.999
   33   2HA   GLY   5          2HA       GLY   5   3.794  -5.566  11.194
   34    H    LEU   6           H        LEU   6   1.597  -5.189  10.861
   35    HA   LEU   6           HA       LEU   6   0.440  -6.507   8.505
   36   1HB   LEU   6          1HB       LEU   6  -1.750  -5.810   9.656
   37   2HB   LEU   6          2HB       LEU   6  -0.877  -7.216  10.235
   38    HG   LEU   6           HG       LEU   6  -0.212  -4.659  11.583
   39   1HD1  LEU   6          1HD1      LEU   6  -2.643  -4.416  11.243
   40   2HD1  LEU   6          2HD1      LEU   6  -2.898  -5.984  12.047
   41   3HD1  LEU   6          3HD1      LEU   6  -2.209  -4.619  12.957
   42   1HD2  LEU   6          1HD2      LEU   6  -0.366  -7.554  12.205
   43   2HD2  LEU   6          2HD2      LEU   6   0.827  -6.327  12.696
   44   3HD2  LEU   6          3HD2      LEU   6  -0.738  -6.434  13.538
   45    H    SER   7           H        SER   7   1.622  -3.567   9.881
   46    HA   SER   7           HA       SER   7   0.929  -2.200   7.500
   47   1HB   SER   7          1HB       SER   7  -0.288  -0.324   8.619
   48   2HB   SER   7          2HB       SER   7  -1.177  -1.833   8.671
   49    HG   SER   7           HG       SER   7   0.486  -0.842  10.828
   50    H    ALA   8           H        ALA   8   1.910   0.098   7.545
   51    HA   ALA   8           HA       ALA   8   3.534   1.528   8.047
   52   1HB   ALA   8          1HB       ALA   8   2.888   0.368  10.591
   53   2HB   ALA   8          2HB       ALA   8   4.657   0.539  10.488
   54   3HB   ALA   8          3HB       ALA   8   3.610   1.959  10.248
   55    H    ASN   9           H        ASN   9   4.995  -1.263   9.799
   56    HA   ASN   9           HA       ASN   9   7.409  -1.089   8.642
   57   1HB   ASN   9          1HB       ASN   9   5.832  -3.460   9.714
   58   2HB   ASN   9          2HB       ASN   9   7.438  -3.716   9.061
   59   2HD2  ASN   9          2HD2      ASN   9   5.769  -3.223  11.802
   60   1HD2  ASN   9          1HD2      ASN   9   6.963  -2.490  12.821
   61    H    GLN  10           H        GLN  10   4.477  -2.892   7.526
   62    HA   GLN  10           HA       GLN  10   5.806  -4.068   5.334
   63   1HB   GLN  10          1HB       GLN  10   3.511  -4.640   6.646
   64   2HB   GLN  10          2HB       GLN  10   2.824  -3.723   5.320
   65   1HG   GLN  10          1HG       GLN  10   4.162  -5.210   3.719
   66   2HG   GLN  10          2HG       GLN  10   4.596  -6.198   5.100
   67   2HE2  GLN  10          2HE2      GLN  10   3.187  -7.615   5.946
   68   1HE2  GLN  10          1HE2      GLN  10   1.590  -7.919   5.349
   69    H    CYS  11           H        CYS  11   4.066  -1.032   5.939
   70    HA   CYS  11           HA       CYS  11   4.368  -0.390   3.096
   71   1HB   CYS  11          1HB       CYS  11   2.576   1.221   4.847
   72   2HB   CYS  11          2HB       CYS  11   2.465   0.878   3.132
   73    H    ALA  12           H        ALA  12   6.660  -0.284   4.649
   74    HA   ALA  12           HA       ALA  12   6.901   2.579   5.280
   75   1HB   ALA  12          1HB       ALA  12   8.941   1.595   6.645
   76   2HB   ALA  12          2HB       ALA  12   7.295   1.534   7.320
   77   3HB   ALA  12          3HB       ALA  12   8.001   0.086   6.563
   78    H    VAL  13           H        VAL  13   7.036   2.146   2.657
   79    HA   VAL  13           HA       VAL  13   9.776   1.478   1.956
   80    HB   VAL  13           HB       VAL  13   7.908   2.431  -0.111
   81   1HG1  VAL  13          1HG1      VAL  13  10.103   0.525   0.226
   82   2HG1  VAL  13          2HG1      VAL  13   8.753  -0.139  -0.724
   83   3HG1  VAL  13          3HG1      VAL  13   9.538   1.376  -1.232
   84   1HG2  VAL  13          1HG2      VAL  13   7.235   0.079   1.657
   85   2HG2  VAL  13          2HG2      VAL  13   6.180   1.392   1.082
   86   3HG2  VAL  13          3HG2      VAL  13   6.728   0.131  -0.049
   87    HA   PRO  14           HA       PRO  14  10.991   5.615   1.681
   88   1HB   PRO  14          1HB       PRO  14  13.044   5.466  -0.117
   89   2HB   PRO  14          2HB       PRO  14  13.216   5.034   1.572
   90   1HG   PRO  14          1HG       PRO  14  13.028   3.260  -0.785
   91   2HG   PRO  14          2HG       PRO  14  13.616   2.889   0.823
   92   1HD   PRO  14          1HD       PRO  14  11.073   2.159  -0.285
   93   2HD   PRO  14          2HD       PRO  14  11.615   1.891   1.360
   94    H    ALA  15           H        ALA  15   9.230   4.182  -0.612
   95    HA   ALA  15           HA       ALA  15   7.826   5.185  -2.057
   96   1HB   ALA  15          1HB       ALA  15   8.755   7.400  -0.754
   97   2HB   ALA  15          2HB       ALA  15   7.618   7.451  -2.123
   98   3HB   ALA  15          3HB       ALA  15   9.358   7.705  -2.401
   99    H    LYS  16           H        LYS  16  11.345   5.212  -2.290
  100    HA   LYS  16           HA       LYS  16  11.253   5.300  -5.186
  101   1HB   LYS  16          1HB       LYS  16  13.671   5.345  -5.054
  102   2HB   LYS  16          2HB       LYS  16  12.990   6.548  -3.977
  103   1HG   LYS  16          1HG       LYS  16  14.615   5.531  -2.611
  104   2HG   LYS  16          2HG       LYS  16  13.156   4.687  -2.132
  105   1HD   LYS  16          1HD       LYS  16  13.925   2.691  -2.920
  106   2HD   LYS  16          2HD       LYS  16  14.418   3.392  -4.448
  107   1HE   LYS  16          1HE       LYS  16  16.591   3.777  -3.738
  108   2HE   LYS  16          2HE       LYS  16  16.108   4.136  -2.092
  109   1HZ   LYS  16          1HZ       LYS  16  15.977   1.427  -3.209
  110   2HZ   LYS  16          2HZ       LYS  16  17.295   1.999  -2.433
  111   3HZ   LYS  16          3HZ       LYS  16  15.875   1.863  -1.639
  112    H    ASP  17           H        ASP  17  10.318   3.051  -3.058
  113    HA   ASP  17           HA       ASP  17  11.437   0.925  -4.705
  114   1HB   ASP  17          1HB       ASP  17  11.759   1.317  -1.882
  115   2HB   ASP  17          2HB       ASP  17  10.657  -0.032  -2.071
  116    H    ARG  18           H        ARG  18   8.845   2.636  -4.583
  117    HA   ARG  18           HA       ARG  18   6.866   0.866  -3.623
  118   1HB   ARG  18          1HB       ARG  18   6.419   3.176  -5.565
  119   2HB   ARG  18          2HB       ARG  18   5.285   2.532  -4.394
  120   1HG   ARG  18          1HG       ARG  18   7.926   3.648  -3.420
  121   2HG   ARG  18          2HG       ARG  18   6.648   4.759  -3.870
  122   1HD   ARG  18          1HD       ARG  18   5.294   2.878  -2.298
  123   2HD   ARG  18          2HD       ARG  18   6.851   2.994  -1.502
  124    HE   ARG  18           HE       ARG  18   5.553   5.564  -2.206
  125   1HH1  ARG  18          1HH1      ARG  18   6.242   3.163   0.272
  126   2HH1  ARG  18          2HH1      ARG  18   5.900   4.236   1.588
  127   1HH2  ARG  18          1HH2      ARG  18   5.101   6.981  -0.470
  128   2HH2  ARG  18          2HH2      ARG  18   5.247   6.422   1.163
  129    H    VAL  19           H        VAL  19   5.569  -0.600  -4.800
  130    HA   VAL  19           HA       VAL  19   6.503  -1.131  -7.512
  131    HB   VAL  19           HB       VAL  19   4.883  -2.736  -5.528
  132   1HG1  VAL  19          1HG1      VAL  19   5.708  -3.371  -8.374
  133   2HG1  VAL  19          2HG1      VAL  19   5.243  -4.618  -7.192
  134   3HG1  VAL  19          3HG1      VAL  19   4.071  -3.368  -7.675
  135   1HG2  VAL  19          1HG2      VAL  19   7.612  -2.305  -5.630
  136   2HG2  VAL  19          2HG2      VAL  19   6.802  -3.687  -4.854
  137   3HG2  VAL  19          3HG2      VAL  19   7.418  -3.835  -6.517
  138    H    ASP  20           H        ASP  20   4.217   0.767  -6.011
  139    HA   ASP  20           HA       ASP  20   2.285   1.603  -6.553
  140   1HB   ASP  20          1HB       ASP  20   3.363   2.579  -8.440
  141   2HB   ASP  20          2HB       ASP  20   3.511   1.042  -9.268
  142    H    CYS  21           H        CYS  21   0.648   0.190  -5.794
  143    HA   CYS  21           HA       CYS  21   0.157  -2.304  -7.024
  144   1HB   CYS  21          1HB       CYS  21  -0.401  -1.231  -4.595
  145   2HB   CYS  21          2HB       CYS  21  -1.970  -1.093  -5.364
  146    H    GLY  22           H        GLY  22  -0.818   1.029  -7.556
  147   1HA   GLY  22          1HA       GLY  22  -2.131   0.424  -9.985
  148   2HA   GLY  22          2HA       GLY  22  -2.067   1.974  -9.172
  149    H    TYR  23           H        TYR  23  -3.758   2.627  -7.748
  150    HA   TYR  23           HA       TYR  23  -6.175   1.008  -8.047
  151   1HB   TYR  23          1HB       TYR  23  -4.647   1.916  -5.582
  152   2HB   TYR  23          2HB       TYR  23  -6.395   1.997  -5.485
  153    HD1  TYR  23           HD1      TYR  23  -7.645  -0.238  -6.270
  154    HD2  TYR  23           HD2      TYR  23  -3.595  -0.043  -4.906
  155    HE1  TYR  23           HE1      TYR  23  -7.719  -2.708  -5.675
  156    HE2  TYR  23           HE2      TYR  23  -3.683  -2.514  -4.315
  157    HH   TYR  23           HH       TYR  23  -5.363  -4.167  -3.744
  158    HA   PRO  24           HA       PRO  24  -7.911   4.908  -8.764
  159   1HB   PRO  24          1HB       PRO  24 -10.565   4.356  -8.425
  160   2HB   PRO  24          2HB       PRO  24  -9.690   3.985  -9.897
  161   1HG   PRO  24          1HG       PRO  24 -10.585   2.149  -7.759
  162   2HG   PRO  24          2HG       PRO  24 -10.103   1.770  -9.400
  163   1HD   PRO  24          1HD       PRO  24  -8.544   1.390  -7.022
  164   2HD   PRO  24          2HD       PRO  24  -8.021   1.121  -8.673
  165    H    HIS  25           H        HIS  25 -10.083   3.686  -6.278
  166    HA   HIS  25           HA       HIS  25  -9.701   6.197  -4.899
  167   1HB   HIS  25          1HB       HIS  25 -11.622   5.575  -3.603
  168   2HB   HIS  25          2HB       HIS  25 -11.967   5.302  -5.299
  169    HD1  HIS  25           HD1      HIS  25 -13.747   3.812  -3.436
  170    HD2  HIS  25           HD2      HIS  25 -10.043   2.266  -4.656
  171    HE1  HIS  25           HE1      HIS  25 -13.881   1.286  -3.099
  172    HE2  HIS  25           HE2      HIS  25 -11.597   0.386  -3.917
  173    H    VAL  26           H        VAL  26  -7.504   5.939  -4.180
  174    HA   VAL  26           HA       VAL  26  -7.045   3.720  -2.345
  175    HB   VAL  26           HB       VAL  26  -4.699   4.532  -2.432
  176   1HG1  VAL  26          1HG1      VAL  26  -6.014   3.915  -5.100
  177   2HG1  VAL  26          2HG1      VAL  26  -4.271   3.791  -4.760
  178   3HG1  VAL  26          3HG1      VAL  26  -5.422   2.736  -3.905
  179   1HG2  VAL  26          1HG2      VAL  26  -5.786   6.896  -3.355
  180   2HG2  VAL  26          2HG2      VAL  26  -4.064   6.449  -3.415
  181   3HG2  VAL  26          3HG2      VAL  26  -5.104   6.175  -4.833
  182    H    THR  27           H        THR  27  -6.837   3.976  -0.141
  183    HA   THR  27           HA       THR  27  -6.551   6.641   0.950
  184    HB   THR  27           HB       THR  27  -8.684   6.763   1.962
  185    HG1  THR  27           HG1      THR  27  -9.892   4.722   2.241
  186   1HG2  THR  27          1HG2      THR  27  -9.141   5.096  -0.568
  187   2HG2  THR  27          2HG2      THR  27 -10.430   5.931   0.332
  188   3HG2  THR  27          3HG2      THR  27  -9.147   6.873  -0.465
  189    HA   PRO  28           HA       PRO  28  -4.687   4.502   4.174
  190   1HB   PRO  28          1HB       PRO  28  -5.394   5.843   6.447
  191   2HB   PRO  28          2HB       PRO  28  -4.170   6.421   5.335
  192   1HG   PRO  28          1HG       PRO  28  -6.937   7.391   5.713
  193   2HG   PRO  28          2HG       PRO  28  -5.587   8.198   4.940
  194   1HD   PRO  28          1HD       PRO  28  -7.798   6.919   3.634
  195   2HD   PRO  28          2HD       PRO  28  -6.391   7.624   2.863
  196    H    LYS  29           H        LYS  29  -7.050   3.252   3.273
  197    HA   LYS  29           HA       LYS  29  -7.335   1.376   5.301
  198   1HB   LYS  29          1HB       LYS  29  -8.579   3.470   6.263
  199   2HB   LYS  29          2HB       LYS  29  -9.849   3.021   5.142
  200   1HG   LYS  29          1HG       LYS  29  -8.997   0.604   6.436
  201   2HG   LYS  29          2HG       LYS  29  -9.175   1.813   7.692
  202   1HD   LYS  29          1HD       LYS  29 -11.376   1.833   5.695
  203   2HD   LYS  29          2HD       LYS  29 -11.253   0.332   6.591
  204   1HE   LYS  29          1HE       LYS  29 -11.988   1.293   8.531
  205   2HE   LYS  29          2HE       LYS  29 -10.950   2.692   8.339
  206   1HZ   LYS  29          1HZ       LYS  29 -13.090   2.598   6.458
  207   2HZ   LYS  29          2HZ       LYS  29 -13.599   2.695   8.006
  208   3HZ   LYS  29          3HZ       LYS  29 -12.590   3.831   7.406
  209    H    GLU  30           H        GLU  30  -8.919   3.125   2.575
  210    HA   GLU  30           HA       GLU  30 -10.248   0.790   1.701
  211   1HB   GLU  30          1HB       GLU  30 -11.154   3.020   1.222
  212   2HB   GLU  30          2HB       GLU  30  -9.708   3.463   0.337
  213   1HG   GLU  30          1HG       GLU  30 -10.365   2.344  -1.551
  214   2HG   GLU  30          2HG       GLU  30 -10.931   0.953  -0.648
  215    H    CYS  31           H        CYS  31  -7.169   2.461   0.938
  216    HA   CYS  31           HA       CYS  31  -6.630   0.843  -1.330
  217   1HB   CYS  31          1HB       CYS  31  -5.545   2.848  -1.475
  218   2HB   CYS  31          2HB       CYS  31  -5.179   2.917   0.237
  219    H    ASN  32           H        ASN  32  -6.228   0.647   2.178
  220    HA   ASN  32           HA       ASN  32  -4.345  -1.518   1.909
  221   1HB   ASN  32          1HB       ASN  32  -5.601  -0.528   4.506
  222   2HB   ASN  32          2HB       ASN  32  -4.061  -1.338   4.302
  223   2HD2  ASN  32          2HD2      ASN  32  -2.407  -0.072   4.589
  224   1HD2  ASN  32          1HD2      ASN  32  -2.264   1.598   4.152
  225    H    ASN  33           H        ASN  33  -7.629  -1.123   1.594
  226    HA   ASN  33           HA       ASN  33  -8.316  -3.477   3.138
  227   1HB   ASN  33          1HB       ASN  33  -9.862  -1.632   3.468
  228   2HB   ASN  33          2HB       ASN  33  -9.961  -1.312   1.748
  229   2HD2  ASN  33          2HD2      ASN  33 -12.195  -1.479   1.789
  230   1HD2  ASN  33          1HD2      ASN  33 -13.030  -2.993   1.886
  231    H    ARG  34           H        ARG  34  -8.352  -2.017  -0.171
  232    HA   ARG  34           HA       ARG  34  -9.664  -4.020  -1.477
  233   1HB   ARG  34          1HB       ARG  34  -8.549  -1.645  -2.215
  234   2HB   ARG  34          2HB       ARG  34  -7.334  -2.722  -2.874
  235   1HG   ARG  34          1HG       ARG  34 -10.327  -2.949  -3.446
  236   2HG   ARG  34          2HG       ARG  34  -9.177  -2.162  -4.508
  237   1HD   ARG  34          1HD       ARG  34  -7.869  -4.476  -4.347
  238   2HD   ARG  34          2HD       ARG  34  -9.421  -5.107  -3.836
  239    HE   ARG  34           HE       ARG  34  -8.720  -4.147  -6.519
  240   1HH1  ARG  34          1HH1      ARG  34 -11.356  -4.840  -4.292
  241   2HH1  ARG  34          2HH1      ARG  34 -12.534  -5.036  -5.547
  242   1HH2  ARG  34          1HH2      ARG  34 -10.274  -4.406  -8.174
  243   2HH2  ARG  34          2HH2      ARG  34 -11.914  -4.788  -7.770
  244    H    GLY  35           H        GLY  35  -6.342  -3.837  -0.244
  245   1HA   GLY  35          1HA       GLY  35  -5.769  -6.472  -1.466
  246   2HA   GLY  35          2HA       GLY  35  -5.389  -6.072   0.197
  247    H    CYS  36           H        CYS  36  -3.889  -4.152   0.576
  248    HA   CYS  36           HA       CYS  36  -1.515  -4.509  -0.681
  249   1HB   CYS  36          1HB       CYS  36  -3.222  -3.157  -2.458
  250   2HB   CYS  36          2HB       CYS  36  -2.147  -1.928  -1.824
  251    H    CYS  37           H        CYS  37  -0.612  -1.696  -0.688
  252    HA   CYS  37           HA       CYS  37  -1.200  -1.018   2.103
  253   1HB   CYS  37          1HB       CYS  37   1.395  -1.276   0.665
  254   2HB   CYS  37          2HB       CYS  37   1.240   0.037   1.816
  255    H    PHE  38           H        PHE  38  -1.198   1.319   2.561
  256    HA   PHE  38           HA       PHE  38  -1.567   2.905   0.116
  257   1HB   PHE  38          1HB       PHE  38  -3.660   2.551   1.405
  258   2HB   PHE  38          2HB       PHE  38  -2.849   2.939   2.909
  259    HD1  PHE  38           HD1      PHE  38  -4.042   4.380  -0.281
  260    HD2  PHE  38           HD2      PHE  38  -2.670   5.178   3.654
  261    HE1  PHE  38           HE1      PHE  38  -4.737   6.779  -0.525
  262    HE2  PHE  38           HE2      PHE  38  -3.365   7.577   3.410
  263    HZ   PHE  38           HZ       PHE  38  -4.390   8.349   1.323
  264    H    ASP  39           H        ASP  39  -1.375   5.401   0.715
  265    HA   ASP  39           HA       ASP  39   0.228   6.144   2.828
  266   1HB   ASP  39          1HB       ASP  39   2.035   4.895   1.748
  267   2HB   ASP  39          2HB       ASP  39   1.693   5.642   0.200
  268    H    SER  40           H        SER  40   0.492   8.494   2.787
  269    HA   SER  40           HA       SER  40  -0.422   9.763   0.337
  270   1HB   SER  40          1HB       SER  40  -1.906  11.250   1.559
  271   2HB   SER  40          2HB       SER  40  -2.332   9.598   1.956
  272    HG   SER  40           HG       SER  40  -1.853  11.483   3.696
  273    H    ARG  41           H        ARG  41   2.170   9.273   2.073
  274    HA   ARG  41           HA       ARG  41   2.936  11.638   3.202
  275   1HB   ARG  41          1HB       ARG  41   4.082   9.186   2.922
  276   2HB   ARG  41          2HB       ARG  41   5.006  10.040   1.703
  277   1HG   ARG  41          1HG       ARG  41   5.161  11.870   3.720
  278   2HG   ARG  41          2HG       ARG  41   4.982  10.415   4.680
  279   1HD   ARG  41          1HD       ARG  41   6.997  10.483   2.410
  280   2HD   ARG  41          2HD       ARG  41   7.400  11.207   3.953
  281    HE   ARG  41           HE       ARG  41   6.316   8.495   4.201
  282   1HH1  ARG  41          1HH1      ARG  41   9.233  10.401   3.707
  283   2HH1  ARG  41          2HH1      ARG  41  10.295   9.159   4.282
  284   1HH2  ARG  41          1HH2      ARG  41   7.716   6.857   4.959
  285   2HH2  ARG  41          2HH2      ARG  41   9.426   7.130   4.999
  286    H    ILE  42           H        ILE  42   3.542  10.393  -0.165
  287    HA   ILE  42           HA       ILE  42   3.654  13.161  -1.065
  288    HB   ILE  42           HB       ILE  42   5.641  12.015  -2.556
  289   1HG1  ILE  42          1HG1      ILE  42   7.233  11.031  -0.930
  290   2HG1  ILE  42          2HG1      ILE  42   5.981  11.042   0.296
  291   1HG2  ILE  42          1HG2      ILE  42   5.407  14.006  -0.408
  292   2HG2  ILE  42          2HG2      ILE  42   7.040  13.324  -0.600
  293   3HG2  ILE  42          3HG2      ILE  42   6.230  14.097  -1.984
  294   1HD1  ILE  42          1HD1      ILE  42   5.070   9.796  -2.219
  295   2HD1  ILE  42          2HD1      ILE  42   6.473   8.969  -1.501
  296   3HD1  ILE  42          3HD1      ILE  42   4.982   9.180  -0.551
  297    HA   PRO  43           HA       PRO  43   1.180  11.343  -4.119
  298   1HB   PRO  43          1HB       PRO  43   0.911  13.490  -5.787
  299   2HB   PRO  43          2HB       PRO  43  -0.062  13.268  -4.347
  300   1HG   PRO  43          1HG       PRO  43   2.197  15.123  -4.790
  301   2HG   PRO  43          2HG       PRO  43   0.961  15.175  -3.548
  302   1HD   PRO  43          1HD       PRO  43   3.677  14.307  -3.232
  303   2HD   PRO  43          2HD       PRO  43   2.411  14.250  -2.022
  304    H    GLY  44           H        GLY  44   4.072  13.062  -5.073
  305   1HA   GLY  44          1HA       GLY  44   5.716  12.352  -6.467
  306   2HA   GLY  44          2HA       GLY  44   4.418  12.398  -7.643
  307    H    VAL  45           H        VAL  45   4.847  10.161  -4.827
  308    HA   VAL  45           HA       VAL  45   5.449   7.997  -6.671
  309    HB   VAL  45           HB       VAL  45   6.340   6.901  -4.888
  310   1HG1  VAL  45          1HG1      VAL  45   7.179   9.407  -5.150
  311   2HG1  VAL  45          2HG1      VAL  45   6.540   9.544  -3.494
  312   3HG1  VAL  45          3HG1      VAL  45   7.803   8.345  -3.865
  313   1HG2  VAL  45          1HG2      VAL  45   4.240   8.278  -3.211
  314   2HG2  VAL  45          2HG2      VAL  45   4.496   6.538  -3.485
  315   3HG2  VAL  45          3HG2      VAL  45   5.632   7.455  -2.466
  316    HA   PRO  46           HA       PRO  46   1.536   6.174  -6.394
  317   1HB   PRO  46          1HB       PRO  46   1.990   3.503  -6.038
  318   2HB   PRO  46          2HB       PRO  46   2.159   4.306  -7.586
  319   1HG   PRO  46          1HG       PRO  46   4.272   3.370  -5.743
  320   2HG   PRO  46          2HG       PRO  46   4.399   3.775  -7.443
  321   1HD   PRO  46          1HD       PRO  46   5.254   5.384  -5.227
  322   2HD   PRO  46          2HD       PRO  46   5.274   5.836  -6.920
  323    H    TRP  47           H        TRP  47   0.591   7.245  -4.661
  324    HA   TRP  47           HA       TRP  47   0.973   6.940  -2.075
  325   1HB   TRP  47          1HB       TRP  47  -1.497   7.254  -3.698
  326   2HB   TRP  47          2HB       TRP  47  -1.704   6.870  -2.001
  327    HD1  TRP  47           HD1      TRP  47   1.215   9.149  -3.063
  328    HE1  TRP  47           HE1      TRP  47   0.883  11.610  -2.169
  329    HE3  TRP  47           HE3      TRP  47  -3.521   8.449  -1.348
  330    HZ2  TRP  47           HZ2      TRP  47  -1.274  12.957  -0.874
  331    HZ3  TRP  47           HZ3      TRP  47  -4.669  10.388  -0.282
  332    HH2  TRP  47           HH2      TRP  47  -3.621  12.583  -0.032
  333    H    CYS  48           H        CYS  48  -1.015   4.642  -4.077
  334    HA   CYS  48           HA       CYS  48  -0.933   2.760  -1.872
  335   1HB   CYS  48          1HB       CYS  48  -3.023   3.348  -3.263
  336   2HB   CYS  48          2HB       CYS  48  -2.319   2.342  -4.512
  337    H    PHE  49           H        PHE  49   0.883   1.478  -1.787
  338    HA   PHE  49           HA       PHE  49   1.860   0.428  -4.343
  339   1HB   PHE  49          1HB       PHE  49   4.166   0.605  -3.116
  340   2HB   PHE  49          2HB       PHE  49   3.468   2.114  -3.671
  341    HD1  PHE  49           HD1      PHE  49   3.603  -0.067  -0.650
  342    HD2  PHE  49           HD2      PHE  49   3.242   3.875  -2.179
  343    HE1  PHE  49           HE1      PHE  49   3.732   0.850   1.683
  344    HE2  PHE  49           HE2      PHE  49   3.370   4.792   0.154
  345    HZ   PHE  49           HZ       PHE  49   3.613   3.268   2.057
  346    H    LYS  50           H        LYS  50   3.206  -1.601  -4.048
  347    HA   LYS  50           HA       LYS  50   1.782  -3.413  -2.436
  348   1HB   LYS  50          1HB       LYS  50   4.458  -3.805  -3.806
  349   2HB   LYS  50          2HB       LYS  50   3.356  -5.059  -3.274
  350   1HG   LYS  50          1HG       LYS  50   1.588  -3.950  -4.818
  351   2HG   LYS  50          2HG       LYS  50   2.910  -3.020  -5.493
  352   1HD   LYS  50          1HD       LYS  50   2.927  -4.841  -6.943
  353   2HD   LYS  50          2HD       LYS  50   4.075  -5.404  -5.745
  354   1HE   LYS  50          1HE       LYS  50   2.527  -6.895  -4.755
  355   2HE   LYS  50          2HE       LYS  50   1.135  -6.010  -5.349
  356   1HZ   LYS  50          1HZ       LYS  50   1.755  -6.714  -7.586
  357   2HZ   LYS  50          2HZ       LYS  50   2.987  -7.600  -6.983
  358   3HZ   LYS  50          3HZ       LYS  50   1.445  -7.987  -6.611
  359    HA   PRO  51           HA       PRO  51   4.046  -3.392   1.240
  360   1HB   PRO  51          1HB       PRO  51   4.199  -6.020   1.974
  361   2HB   PRO  51          2HB       PRO  51   2.758  -5.048   2.190
  362   1HG   PRO  51          1HG       PRO  51   3.294  -7.145   0.176
  363   2HG   PRO  51          2HG       PRO  51   1.756  -6.474   0.679
  364   1HD   PRO  51          1HD       PRO  51   3.179  -5.879  -1.739
  365   2HD   PRO  51          2HD       PRO  51   1.699  -5.124  -1.181
  366    H    LEU  52           H        LEU  52   6.061  -2.757   1.636
  367    HA   LEU  52           HA       LEU  52   8.148  -3.182   0.061
  368   1HB   LEU  52          1HB       LEU  52   8.302  -1.696   1.885
  369   2HB   LEU  52          2HB       LEU  52   8.031  -2.967   3.060
  370    HG   LEU  52           HG       LEU  52  10.493  -2.778   1.305
  371   1HD1  LEU  52          1HD1      LEU  52   9.860  -1.583   3.973
  372   2HD1  LEU  52          2HD1      LEU  52  11.507  -2.184   3.665
  373   3HD1  LEU  52          3HD1      LEU  52  10.808  -0.927   2.616
  374   1HD2  LEU  52          1HD2      LEU  52   9.466  -4.807   3.123
  375   2HD2  LEU  52          2HD2      LEU  52  10.801  -4.886   1.948
  376   3HD2  LEU  52          3HD2      LEU  52  11.092  -4.246   3.584
  377    H    GLN  53           H        GLN  53   9.429  -4.821  -0.645
  378    HA   GLN  53           HA       GLN  53   8.727  -7.433   0.046
  379   1HB   GLN  53          1HB       GLN  53  10.956  -7.911  -1.280
  380   2HB   GLN  53          2HB       GLN  53   9.567  -7.254  -2.122
  381   1HG   GLN  53          1HG       GLN  53  11.732  -6.058  -2.647
  382   2HG   GLN  53          2HG       GLN  53  10.471  -5.000  -2.045
  383   2HE2  GLN  53          2HE2      GLN  53  10.878  -3.741  -0.382
  384   1HE2  GLN  53          1HE2      GLN  53  12.230  -3.848   0.696
  385    H    GLU  54           H        GLU  54   9.052  -6.717   2.515
  386    HA   GLU  54           HA       GLU  54  11.359  -6.333   3.728
  387   1HB   GLU  54          1HB       GLU  54  10.380  -7.204   5.679
  388   2HB   GLU  54          2HB       GLU  54   8.984  -6.834   4.687
  389   1HG   GLU  54          1HG       GLU  54   9.115  -9.282   3.844
  390   2HG   GLU  54          2HG       GLU  54  10.263  -9.562   5.139
  391    H    ALA  55           H        ALA  55  13.368  -7.230   3.623
  392    HA   ALA  55           HA       ALA  55  13.638 -10.091   3.700
  393   1HB   ALA  55          1HB       ALA  55  13.547 -10.193   1.407
  394   2HB   ALA  55          2HB       ALA  55  15.258  -9.736   1.579
  395   3HB   ALA  55          3HB       ALA  55  14.039  -8.495   1.202
  396    H    GLU  56           H        GLU  56  14.841  -9.942   5.580
  397    HA   GLU  56           HA       GLU  56  16.630  -9.688   6.790
  398   1HB   GLU  56          1HB       GLU  56  17.742  -9.962   4.349
  399   2HB   GLU  56          2HB       GLU  56  18.256  -8.317   4.666
  400   1HG   GLU  56          1HG       GLU  56  20.009  -9.321   5.748
  401   2HG   GLU  56          2HG       GLU  56  18.875  -9.464   7.076
  402    H    CYS  57           H        CYS  57  16.546  -6.832   4.528
  403    HA   CYS  57           HA       CYS  57  15.749  -5.117   6.639
  404   1HB   CYS  57          1HB       CYS  57  18.468  -5.564   6.586
  405   2HB   CYS  57          2HB       CYS  57  18.308  -4.109   5.621
  406    H    THR  58           H        THR  58  17.705  -5.093   3.559
  407    HA   THR  58           HA       THR  58  15.578  -4.175   1.974
  408    HB   THR  58           HB       THR  58  15.788  -2.083   3.250
  409    HG1  THR  58           HG1      THR  58  15.881  -0.991   1.304
  410   1HG2  THR  58          1HG2      THR  58  18.377  -2.638   3.744
  411   2HG2  THR  58          2HG2      THR  58  18.615  -1.706   2.246
  412   3HG2  THR  58          3HG2      THR  58  17.809  -0.953   3.644
  413    H    PHE  59           H        PHE  59  19.146  -4.098   2.511
  414    HA   PHE  59           HA       PHE  59  19.631  -5.740   0.315
  415   1HB   PHE  59          1HB       PHE  59  18.881  -3.544  -0.816
  416   2HB   PHE  59          2HB       PHE  59  20.234  -2.743  -0.043
  417    HD1  PHE  59           HD1      PHE  59  22.591  -3.814  -0.526
  418    HD2  PHE  59           HD2      PHE  59  19.157  -4.394  -2.951
  419    HE1  PHE  59           HE1      PHE  59  24.063  -4.431  -2.463
  420    HE2  PHE  59           HE2      PHE  59  20.629  -5.011  -4.888
  421    HZ   PHE  59           HZ       PHE  59  23.064  -5.022  -4.621

  No H/Q in entry =         421
  Start of MODEL   15
    1    H    GLU   1           H        GLU   1   3.816 -14.600  19.565
    2    HA   GLU   1           HA       GLU   1   5.483 -14.684  20.984
    3   1HB   GLU   1          1HB       GLU   1   6.655 -16.330  18.796
    4   2HB   GLU   1          2HB       GLU   1   7.830 -15.568  19.849
    5   1HG   GLU   1          1HG       GLU   1   5.491 -16.890  21.192
    6   2HG   GLU   1          2HG       GLU   1   6.653 -17.954  20.424
    7    H    GLU   2           H        GLU   2   6.380 -13.693  17.630
    8    HA   GLU   2           HA       GLU   2   6.887 -11.082  18.452
    9   1HB   GLU   2          1HB       GLU   2   9.003 -12.544  19.207
   10   2HB   GLU   2          2HB       GLU   2   9.460 -12.348  17.526
   11   1HG   GLU   2          1HG       GLU   2   8.521  -9.845  18.842
   12   2HG   GLU   2          2HG       GLU   2   9.992 -10.511  19.524
   13    H    TYR   3           H        TYR   3   5.667 -10.411  16.689
   14    HA   TYR   3           HA       TYR   3   6.937 -10.750  14.098
   15   1HB   TYR   3          1HB       TYR   3   5.046 -12.548  14.779
   16   2HB   TYR   3          2HB       TYR   3   3.940 -11.215  14.515
   17    HD1  TYR   3           HD1      TYR   3   6.932 -12.593  12.696
   18    HD2  TYR   3           HD2      TYR   3   2.852 -11.325  12.478
   19    HE1  TYR   3           HE1      TYR   3   6.897 -13.109  10.206
   20    HE2  TYR   3           HE2      TYR   3   2.830 -11.845   9.990
   21    HH   TYR   3           HH       TYR   3   4.523 -13.706   8.526
   22    H    VAL   4           H        VAL   4   6.634  -8.979  12.749
   23    HA   VAL   4           HA       VAL   4   4.485  -7.174  13.116
   24    HB   VAL   4           HB       VAL   4   5.711  -6.523  15.082
   25   1HG1  VAL   4          1HG1      VAL   4   7.960  -7.370  13.920
   26   2HG1  VAL   4          2HG1      VAL   4   8.118  -5.636  13.550
   27   3HG1  VAL   4          3HG1      VAL   4   7.967  -6.176  15.239
   28   1HG2  VAL   4          1HG2      VAL   4   4.761  -4.813  13.276
   29   2HG2  VAL   4          2HG2      VAL   4   5.601  -4.257  14.744
   30   3HG2  VAL   4          3HG2      VAL   4   6.472  -4.331  13.193
   31    H    GLY   5           H        GLY   5   4.368  -7.823  10.856
   32   1HA   GLY   5          1HA       GLY   5   5.727  -8.000   8.784
   33   2HA   GLY   5          2HA       GLY   5   6.395  -6.436   9.205
   34    H    LEU   6           H        LEU   6   3.206  -6.450  10.316
   35    HA   LEU   6           HA       LEU   6   2.242  -5.347   7.769
   36   1HB   LEU   6          1HB       LEU   6   0.174  -6.052   9.673
   37   2HB   LEU   6          2HB       LEU   6   0.346  -6.471   7.980
   38    HG   LEU   6           HG       LEU   6   0.273  -8.510   9.162
   39   1HD1  LEU   6          1HD1      LEU   6   2.504  -7.798   7.639
   40   2HD1  LEU   6          2HD1      LEU   6   3.164  -8.678   9.039
   41   3HD1  LEU   6          3HD1      LEU   6   1.928  -9.441   8.010
   42   1HD2  LEU   6          1HD2      LEU   6   1.451  -7.035  11.274
   43   2HD2  LEU   6          2HD2      LEU   6   0.814  -8.697  11.303
   44   3HD2  LEU   6          3HD2      LEU   6   2.529  -8.408  10.925
   45    H    SER   7           H        SER   7   0.693  -3.506   7.986
   46    HA   SER   7           HA       SER   7   0.206  -1.510   8.683
   47   1HB   SER   7          1HB       SER   7  -0.409  -1.156  10.957
   48   2HB   SER   7          2HB       SER   7  -0.688  -2.862  10.671
   49    HG   SER   7           HG       SER   7   1.247  -1.591  12.301
   50    H    ALA   8           H        ALA   8   1.794  -0.133   7.899
   51    HA   ALA   8           HA       ALA   8   3.425   1.386   8.130
   52   1HB   ALA   8          1HB       ALA   8   4.333   1.895  10.183
   53   2HB   ALA   8          2HB       ALA   8   4.566   0.187  10.626
   54   3HB   ALA   8          3HB       ALA   8   2.948   0.920  10.729
   55    H    ASN   9           H        ASN   9   4.704  -1.673   9.635
   56    HA   ASN   9           HA       ASN   9   7.130  -1.642   8.512
   57   1HB   ASN   9          1HB       ASN   9   5.379  -4.142   8.783
   58   2HB   ASN   9          2HB       ASN   9   7.131  -4.116   8.769
   59   2HD2  ASN   9          2HD2      ASN   9   4.233  -3.300  10.537
   60   1HD2  ASN   9          1HD2      ASN   9   4.947  -3.085  12.100
   61    H    GLN  10           H        GLN  10   4.384  -3.680   7.227
   62    HA   GLN  10           HA       GLN  10   5.477  -4.364   4.875
   63   1HB   GLN  10          1HB       GLN  10   3.019  -4.396   4.031
   64   2HB   GLN  10          2HB       GLN  10   3.422  -5.381   5.423
   65   1HG   GLN  10          1HG       GLN  10   2.604  -3.567   6.943
   66   2HG   GLN  10          2HG       GLN  10   2.200  -2.583   5.550
   67   2HE2  GLN  10          2HE2      GLN  10   1.134  -4.336   3.793
   68   1HE2  GLN  10          1HE2      GLN  10  -0.332  -5.033   4.397
   69    H    CYS  11           H        CYS  11   3.778  -1.294   5.685
   70    HA   CYS  11           HA       CYS  11   4.394  -0.337   2.997
   71   1HB   CYS  11          1HB       CYS  11   2.770   1.299   4.872
   72   2HB   CYS  11          2HB       CYS  11   2.642   1.111   3.135
   73    H    ALA  12           H        ALA  12   6.600  -0.720   4.699
   74    HA   ALA  12           HA       ALA  12   7.132   1.920   5.841
   75   1HB   ALA  12          1HB       ALA  12   8.949   0.806   7.018
   76   2HB   ALA  12          2HB       ALA  12   8.692  -0.683   6.078
   77   3HB   ALA  12          3HB       ALA  12   7.454  -0.137   7.234
   78    H    VAL  13           H        VAL  13   6.933   1.707   2.986
   79    HA   VAL  13           HA       VAL  13   9.693   1.582   2.079
   80    HB   VAL  13           HB       VAL  13   7.598   2.357   0.181
   81   1HG1  VAL  13          1HG1      VAL  13  10.054   0.796   0.294
   82   2HG1  VAL  13          2HG1      VAL  13   8.767  -0.061  -0.588
   83   3HG1  VAL  13          3HG1      VAL  13   9.258   1.573  -1.096
   84   1HG2  VAL  13          1HG2      VAL  13   7.312  -0.147   1.836
   85   2HG2  VAL  13          2HG2      VAL  13   6.070   1.028   1.342
   86   3HG2  VAL  13          3HG2      VAL  13   6.754  -0.098   0.146
   87    HA   PRO  14           HA       PRO  14  10.147   5.879   2.129
   88   1HB   PRO  14          1HB       PRO  14  12.096   6.240   0.248
   89   2HB   PRO  14          2HB       PRO  14  12.431   5.716   1.886
   90   1HG   PRO  14          1HG       PRO  14  12.432   4.124  -0.605
   91   2HG   PRO  14          2HG       PRO  14  13.160   3.742   0.942
   92   1HD   PRO  14          1HD       PRO  14  10.730   2.656  -0.127
   93   2HD   PRO  14          2HD       PRO  14  11.397   2.363   1.467
   94    H    ALA  15           H        ALA  15  10.207   4.768  -1.231
   95    HA   ALA  15           HA       ALA  15   7.887   5.674  -2.112
   96   1HB   ALA  15          1HB       ALA  15   9.695   8.007  -1.543
   97   2HB   ALA  15          2HB       ALA  15   7.930   7.866  -1.364
   98   3HB   ALA  15          3HB       ALA  15   8.646   8.069  -2.980
   99    H    LYS  16           H        LYS  16  11.355   5.372  -2.466
  100    HA   LYS  16           HA       LYS  16  11.137   5.354  -5.371
  101   1HB   LYS  16          1HB       LYS  16  13.555   5.336  -5.366
  102   2HB   LYS  16          2HB       LYS  16  12.971   6.620  -4.326
  103   1HG   LYS  16          1HG       LYS  16  14.527   5.697  -2.883
  104   2HG   LYS  16          2HG       LYS  16  13.151   4.704  -2.444
  105   1HD   LYS  16          1HD       LYS  16  14.236   2.837  -3.129
  106   2HD   LYS  16          2HD       LYS  16  14.401   3.494  -4.745
  107   1HE   LYS  16          1HE       LYS  16  16.506   4.556  -4.211
  108   2HE   LYS  16          2HE       LYS  16  16.277   4.319  -2.490
  109   1HZ   LYS  16          1HZ       LYS  16  16.122   1.849  -3.759
  110   2HZ   LYS  16          2HZ       LYS  16  17.473   2.599  -4.285
  111   3HZ   LYS  16          3HZ       LYS  16  17.238   2.367  -2.685
  112    H    ASP  17           H        ASP  17  10.360   3.279  -2.954
  113    HA   ASP  17           HA       ASP  17  11.384   1.006  -4.468
  114   1HB   ASP  17          1HB       ASP  17  11.342   1.605  -1.597
  115   2HB   ASP  17          2HB       ASP  17  10.502   0.102  -1.925
  116    H    ARG  18           H        ARG  18   8.785   2.879  -4.344
  117    HA   ARG  18           HA       ARG  18   6.764   1.084  -3.535
  118   1HB   ARG  18          1HB       ARG  18   6.386   3.517  -5.334
  119   2HB   ARG  18          2HB       ARG  18   5.222   2.819  -4.226
  120   1HG   ARG  18          1HG       ARG  18   7.844   4.158  -3.406
  121   2HG   ARG  18          2HG       ARG  18   6.261   4.904  -3.314
  122   1HD   ARG  18          1HD       ARG  18   5.555   2.927  -1.806
  123   2HD   ARG  18          2HD       ARG  18   7.249   2.481  -1.744
  124    HE   ARG  18           HE       ARG  18   7.566   4.193  -0.200
  125   1HH1  ARG  18          1HH1      ARG  18   4.784   5.004  -2.196
  126   2HH1  ARG  18          2HH1      ARG  18   4.426   6.461  -1.330
  127   1HH2  ARG  18          1HH2      ARG  18   7.094   6.115   0.943
  128   2HH2  ARG  18          2HH2      ARG  18   5.748   7.097   0.468
  129    H    VAL  19           H        VAL  19   6.028  -0.642  -4.733
  130    HA   VAL  19           HA       VAL  19   6.788  -0.832  -7.502
  131    HB   VAL  19           HB       VAL  19   5.010  -2.759  -6.047
  132   1HG1  VAL  19          1HG1      VAL  19   6.163  -2.750  -8.557
  133   2HG1  VAL  19          2HG1      VAL  19   7.288  -3.753  -7.610
  134   3HG1  VAL  19          3HG1      VAL  19   5.563  -4.185  -7.691
  135   1HG2  VAL  19          1HG2      VAL  19   7.782  -2.015  -5.315
  136   2HG2  VAL  19          2HG2      VAL  19   6.508  -2.801  -4.352
  137   3HG2  VAL  19          3HG2      VAL  19   7.478  -3.760  -5.495
  138    H    ASP  20           H        ASP  20   4.268   0.633  -5.759
  139    HA   ASP  20           HA       ASP  20   2.350   1.477  -6.310
  140   1HB   ASP  20          1HB       ASP  20   3.638   2.335  -8.294
  141   2HB   ASP  20          2HB       ASP  20   3.180   0.903  -9.195
  142    H    CYS  21           H        CYS  21   0.487   0.296  -5.852
  143    HA   CYS  21           HA       CYS  21   0.210  -2.335  -6.977
  144   1HB   CYS  21          1HB       CYS  21  -0.429  -1.271  -4.557
  145   2HB   CYS  21          2HB       CYS  21  -1.986  -1.203  -5.357
  146    H    GLY  22           H        GLY  22  -0.877   0.971  -7.502
  147   1HA   GLY  22          1HA       GLY  22  -2.148   0.305  -9.953
  148   2HA   GLY  22          2HA       GLY  22  -2.099   1.871  -9.169
  149    H    TYR  23           H        TYR  23  -3.775   2.507  -7.695
  150    HA   TYR  23           HA       TYR  23  -6.188   0.873  -7.991
  151   1HB   TYR  23          1HB       TYR  23  -4.665   1.840  -5.547
  152   2HB   TYR  23          2HB       TYR  23  -6.413   1.913  -5.449
  153    HD1  TYR  23           HD1      TYR  23  -7.683  -0.318  -6.093
  154    HD2  TYR  23           HD2      TYR  23  -3.571  -0.125  -4.928
  155    HE1  TYR  23           HE1      TYR  23  -7.743  -2.777  -5.449
  156    HE2  TYR  23           HE2      TYR  23  -3.644  -2.584  -4.287
  157    HH   TYR  23           HH       TYR  23  -5.130  -4.611  -5.102
  158    HA   PRO  24           HA       PRO  24  -7.960   4.742  -8.786
  159   1HB   PRO  24          1HB       PRO  24 -10.610   4.169  -8.439
  160   2HB   PRO  24          2HB       PRO  24  -9.728   3.779  -9.903
  161   1HG   PRO  24          1HG       PRO  24 -10.608   1.975  -7.732
  162   2HG   PRO  24          2HG       PRO  24 -10.119   1.570  -9.366
  163   1HD   PRO  24          1HD       PRO  24  -8.561   1.251  -6.979
  164   2HD   PRO  24          2HD       PRO  24  -8.032   0.955  -8.623
  165    H    HIS  25           H        HIS  25 -10.070   3.505  -6.246
  166    HA   HIS  25           HA       HIS  25  -9.733   6.059  -4.923
  167   1HB   HIS  25          1HB       HIS  25 -11.670   5.508  -3.678
  168   2HB   HIS  25          2HB       HIS  25 -11.987   5.048  -5.339
  169    HD1  HIS  25           HD1      HIS  25 -13.528   3.796  -2.911
  170    HD2  HIS  25           HD2      HIS  25 -10.202   2.069  -4.795
  171    HE1  HIS  25           HE1      HIS  25 -13.652   1.293  -2.428
  172    HE2  HIS  25           HE2      HIS  25 -11.613   0.279  -3.657
  173    H    VAL  26           H        VAL  26  -7.544   5.851  -4.183
  174    HA   VAL  26           HA       VAL  26  -7.063   3.662  -2.315
  175    HB   VAL  26           HB       VAL  26  -4.723   4.466  -2.428
  176   1HG1  VAL  26          1HG1      VAL  26  -6.069   3.819  -5.071
  177   2HG1  VAL  26          2HG1      VAL  26  -4.315   3.741  -4.780
  178   3HG1  VAL  26          3HG1      VAL  26  -5.415   2.664  -3.886
  179   1HG2  VAL  26          1HG2      VAL  26  -5.912   6.788  -3.532
  180   2HG2  VAL  26          2HG2      VAL  26  -4.184   6.464  -3.255
  181   3HG2  VAL  26          3HG2      VAL  26  -4.927   6.056  -4.820
  182    H    THR  27           H        THR  27  -6.717   3.982  -0.116
  183    HA   THR  27           HA       THR  27  -6.514   6.674   0.907
  184    HB   THR  27           HB       THR  27  -8.626   6.762   1.966
  185    HG1  THR  27           HG1      THR  27  -9.796   4.663   2.234
  186   1HG2  THR  27          1HG2      THR  27  -9.110   5.023  -0.511
  187   2HG2  THR  27          2HG2      THR  27 -10.384   5.881   0.390
  188   3HG2  THR  27          3HG2      THR  27  -9.124   6.802  -0.466
  189    HA   PRO  28           HA       PRO  28  -4.512   4.660   4.126
  190   1HB   PRO  28          1HB       PRO  28  -5.169   6.065   6.376
  191   2HB   PRO  28          2HB       PRO  28  -3.987   6.623   5.208
  192   1HG   PRO  28          1HG       PRO  28  -6.755   7.567   5.639
  193   2HG   PRO  28          2HG       PRO  28  -5.441   8.366   4.799
  194   1HD   PRO  28          1HD       PRO  28  -7.672   7.017   3.604
  195   2HD   PRO  28          2HD       PRO  28  -6.298   7.714   2.768
  196    H    LYS  29           H        LYS  29  -6.846   3.320   3.337
  197    HA   LYS  29           HA       LYS  29  -7.054   1.519   5.431
  198   1HB   LYS  29          1HB       LYS  29  -8.320   3.653   6.329
  199   2HB   LYS  29          2HB       LYS  29  -9.619   3.072   5.306
  200   1HG   LYS  29          1HG       LYS  29  -8.283   1.018   7.037
  201   2HG   LYS  29          2HG       LYS  29  -9.243   2.224   7.871
  202   1HD   LYS  29          1HD       LYS  29 -11.142   1.694   6.214
  203   2HD   LYS  29          2HD       LYS  29 -10.180   0.336   5.666
  204   1HE   LYS  29          1HE       LYS  29 -10.148   0.099   8.480
  205   2HE   LYS  29          2HE       LYS  29 -11.785   0.610   8.117
  206   1HZ   LYS  29          1HZ       LYS  29 -11.318  -1.239   6.242
  207   2HZ   LYS  29          2HZ       LYS  29 -10.494  -1.855   7.510
  208   3HZ   LYS  29          3HZ       LYS  29 -12.086  -1.522   7.655
  209    H    GLU  30           H        GLU  30  -8.795   3.157   2.726
  210    HA   GLU  30           HA       GLU  30 -10.103   0.781   1.963
  211   1HB   GLU  30          1HB       GLU  30 -10.998   3.035   1.452
  212   2HB   GLU  30          2HB       GLU  30  -9.615   3.374   0.430
  213   1HG   GLU  30          1HG       GLU  30 -10.597   2.334  -1.328
  214   2HG   GLU  30          2HG       GLU  30 -10.762   0.852  -0.408
  215    H    CYS  31           H        CYS  31  -7.118   2.515   0.936
  216    HA   CYS  31           HA       CYS  31  -6.611   0.853  -1.270
  217   1HB   CYS  31          1HB       CYS  31  -5.482   2.828  -1.428
  218   2HB   CYS  31          2HB       CYS  31  -5.103   2.894   0.282
  219    H    ASN  32           H        ASN  32  -5.830   0.782   2.233
  220    HA   ASN  32           HA       ASN  32  -4.091  -1.450   1.912
  221   1HB   ASN  32          1HB       ASN  32  -3.397  -0.756   3.974
  222   2HB   ASN  32          2HB       ASN  32  -4.615   0.503   3.926
  223   2HD2  ASN  32          2HD2      ASN  32  -6.893  -0.271   4.420
  224   1HD2  ASN  32          1HD2      ASN  32  -7.093  -1.329   5.777
  225    H    ASN  33           H        ASN  33  -7.433  -0.982   1.819
  226    HA   ASN  33           HA       ASN  33  -8.048  -3.409   3.264
  227   1HB   ASN  33          1HB       ASN  33  -9.570  -1.569   3.719
  228   2HB   ASN  33          2HB       ASN  33  -9.746  -1.198   2.016
  229   2HD2  ASN  33          2HD2      ASN  33 -12.038  -1.339   2.786
  230   1HD2  ASN  33          1HD2      ASN  33 -12.850  -2.863   2.655
  231    H    ARG  34           H        ARG  34  -8.123  -1.860   0.008
  232    HA   ARG  34           HA       ARG  34  -9.538  -3.783  -1.322
  233   1HB   ARG  34          1HB       ARG  34  -8.370  -1.417  -2.017
  234   2HB   ARG  34          2HB       ARG  34  -7.211  -2.511  -2.745
  235   1HG   ARG  34          1HG       ARG  34  -9.061  -1.857  -4.318
  236   2HG   ARG  34          2HG       ARG  34  -8.950  -3.589  -4.079
  237   1HD   ARG  34          1HD       ARG  34 -10.739  -2.190  -2.143
  238   2HD   ARG  34          2HD       ARG  34 -11.276  -2.120  -3.810
  239    HE   ARG  34           HE       ARG  34 -10.658  -4.769  -3.571
  240   1HH1  ARG  34          1HH1      ARG  34 -12.524  -2.621  -1.500
  241   2HH1  ARG  34          2HH1      ARG  34 -13.551  -3.881  -0.902
  242   1HH2  ARG  34          1HH2      ARG  34 -12.013  -6.432  -2.783
  243   2HH2  ARG  34          2HH2      ARG  34 -13.258  -6.063  -1.636
  244    H    GLY  35           H        GLY  35  -6.244  -3.791  -0.069
  245   1HA   GLY  35          1HA       GLY  35  -5.756  -6.382  -1.415
  246   2HA   GLY  35          2HA       GLY  35  -5.327  -6.038   0.249
  247    H    CYS  36           H        CYS  36  -3.811  -4.080   0.602
  248    HA   CYS  36           HA       CYS  36  -1.447  -4.504  -0.660
  249   1HB   CYS  36          1HB       CYS  36  -3.127  -3.182  -2.462
  250   2HB   CYS  36          2HB       CYS  36  -2.082  -1.924  -1.832
  251    H    CYS  37           H        CYS  37  -0.535  -1.675  -0.726
  252    HA   CYS  37           HA       CYS  37  -1.062  -0.977   2.072
  253   1HB   CYS  37          1HB       CYS  37   1.493  -1.285   0.591
  254   2HB   CYS  37          2HB       CYS  37   1.380   0.088   1.675
  255    H    PHE  38           H        PHE  38  -1.061   1.362   2.512
  256    HA   PHE  38           HA       PHE  38  -1.498   2.926   0.065
  257   1HB   PHE  38          1HB       PHE  38  -3.547   2.585   1.424
  258   2HB   PHE  38          2HB       PHE  38  -2.688   2.989   2.897
  259    HD1  PHE  38           HD1      PHE  38  -4.048   4.381  -0.238
  260    HD2  PHE  38           HD2      PHE  38  -2.423   5.251   3.584
  261    HE1  PHE  38           HE1      PHE  38  -4.752   6.777  -0.485
  262    HE2  PHE  38           HE2      PHE  38  -3.127   7.648   3.337
  263    HZ   PHE  38           HZ       PHE  38  -4.283   8.382   1.306
  264    H    ASP  39           H        ASP  39  -1.293   5.431   0.641
  265    HA   ASP  39           HA       ASP  39   0.362   6.209   2.691
  266   1HB   ASP  39          1HB       ASP  39   2.138   4.916   1.598
  267   2HB   ASP  39          2HB       ASP  39   1.783   5.653   0.048
  268    H    SER  40           H        SER  40   0.530   8.544   2.636
  269    HA   SER  40           HA       SER  40  -0.316   9.780   0.146
  270   1HB   SER  40          1HB       SER  40  -1.829  11.297   1.366
  271   2HB   SER  40          2HB       SER  40  -2.311   9.629   1.598
  272    HG   SER  40           HG       SER  40  -1.865  11.396   3.505
  273    H    ARG  41           H        ARG  41   2.229   9.354   1.933
  274    HA   ARG  41           HA       ARG  41   2.887  11.761   3.080
  275   1HB   ARG  41          1HB       ARG  41   4.080   9.322   2.934
  276   2HB   ARG  41          2HB       ARG  41   5.053  10.153   1.736
  277   1HG   ARG  41          1HG       ARG  41   5.619  11.923   3.381
  278   2HG   ARG  41          2HG       ARG  41   4.583  11.172   4.578
  279   1HD   ARG  41          1HD       ARG  41   6.019   9.066   4.390
  280   2HD   ARG  41          2HD       ARG  41   7.110   9.967   3.355
  281    HE   ARG  41           HE       ARG  41   6.754  11.544   5.671
  282   1HH1  ARG  41          1HH1      ARG  41   8.039   8.367   4.874
  283   2HH1  ARG  41          2HH1      ARG  41   9.165   8.351   6.191
  284   1HH2  ARG  41          1HH2      ARG  41   8.239  11.525   7.407
  285   2HH2  ARG  41          2HH2      ARG  41   9.279  10.160   7.641
  286    H    ILE  42           H        ILE  42   3.286  10.515  -0.280
  287    HA   ILE  42           HA       ILE  42   3.544  13.229  -1.217
  288    HB   ILE  42           HB       ILE  42   5.593  12.135  -2.626
  289   1HG1  ILE  42          1HG1      ILE  42   7.148  11.126  -0.983
  290   2HG1  ILE  42          2HG1      ILE  42   5.869  11.104   0.214
  291   1HG2  ILE  42          1HG2      ILE  42   5.408  14.390  -1.575
  292   2HG2  ILE  42          2HG2      ILE  42   5.909  13.662  -0.030
  293   3HG2  ILE  42          3HG2      ILE  42   7.016  13.643  -1.423
  294   1HD1  ILE  42          1HD1      ILE  42   5.245   9.862  -2.449
  295   2HD1  ILE  42          2HD1      ILE  42   6.372   8.990  -1.382
  296   3HD1  ILE  42          3HD1      ILE  42   4.727   9.372  -0.818
  297    HA   PRO  43           HA       PRO  43   1.182  11.275  -4.279
  298   1HB   PRO  43          1HB       PRO  43   0.850  13.398  -5.967
  299   2HB   PRO  43          2HB       PRO  43  -0.138  13.143  -4.543
  300   1HG   PRO  43          1HG       PRO  43   2.045  15.092  -4.958
  301   2HG   PRO  43          2HG       PRO  43   0.787  15.097  -3.739
  302   1HD   PRO  43          1HD       PRO  43   3.531  14.351  -3.369
  303   2HD   PRO  43          2HD       PRO  43   2.247  14.246  -2.181
  304    H    GLY  44           H        GLY  44   4.060  13.049  -5.130
  305   1HA   GLY  44          1HA       GLY  44   5.744  12.414  -6.503
  306   2HA   GLY  44          2HA       GLY  44   4.475  12.416  -7.711
  307    H    VAL  45           H        VAL  45   4.591  10.169  -4.914
  308    HA   VAL  45           HA       VAL  45   5.395   8.025  -6.737
  309    HB   VAL  45           HB       VAL  45   6.258   6.921  -4.931
  310   1HG1  VAL  45          1HG1      VAL  45   6.642   9.820  -4.849
  311   2HG1  VAL  45          2HG1      VAL  45   6.945   9.044  -3.275
  312   3HG1  VAL  45          3HG1      VAL  45   7.832   8.502  -4.720
  313   1HG2  VAL  45          1HG2      VAL  45   4.194   8.378  -3.280
  314   2HG2  VAL  45          2HG2      VAL  45   4.429   6.628  -3.498
  315   3HG2  VAL  45          3HG2      VAL  45   5.581   7.565  -2.517
  316    HA   PRO  46           HA       PRO  46   1.511   6.139  -6.481
  317   1HB   PRO  46          1HB       PRO  46   2.009   3.476  -6.127
  318   2HB   PRO  46          2HB       PRO  46   2.171   4.284  -7.674
  319   1HG   PRO  46          1HG       PRO  46   4.292   3.381  -5.823
  320   2HG   PRO  46          2HG       PRO  46   4.419   3.791  -7.522
  321   1HD   PRO  46          1HD       PRO  46   5.237   5.410  -5.300
  322   2HD   PRO  46          2HD       PRO  46   5.257   5.865  -6.992
  323    H    TRP  47           H        TRP  47   0.614   7.239  -4.717
  324    HA   TRP  47           HA       TRP  47   0.974   6.911  -2.143
  325   1HB   TRP  47          1HB       TRP  47  -1.515   7.188  -3.754
  326   2HB   TRP  47          2HB       TRP  47  -1.689   6.843  -2.044
  327    HD1  TRP  47           HD1      TRP  47   1.201   9.112  -3.195
  328    HE1  TRP  47           HE1      TRP  47   0.865  11.592  -2.359
  329    HE3  TRP  47           HE3      TRP  47  -3.515   8.431  -1.419
  330    HZ2  TRP  47           HZ2      TRP  47  -1.287  12.961  -1.078
  331    HZ3  TRP  47           HZ3      TRP  47  -4.663  10.391  -0.391
  332    HH2  TRP  47           HH2      TRP  47  -3.625  12.596  -0.205
  333    H    CYS  48           H        CYS  48  -1.087   4.635  -4.103
  334    HA   CYS  48           HA       CYS  48  -0.942   2.734  -1.923
  335   1HB   CYS  48          1HB       CYS  48  -3.058   3.334  -3.269
  336   2HB   CYS  48          2HB       CYS  48  -2.382   2.332  -4.537
  337    H    PHE  49           H        PHE  49   0.903   1.487  -1.884
  338    HA   PHE  49           HA       PHE  49   1.810   0.427  -4.463
  339   1HB   PHE  49          1HB       PHE  49   4.147   0.616  -3.297
  340   2HB   PHE  49          2HB       PHE  49   3.428   2.121  -3.833
  341    HD1  PHE  49           HD1      PHE  49   3.589  -0.062  -0.811
  342    HD2  PHE  49           HD2      PHE  49   3.297   3.885  -2.342
  343    HE1  PHE  49           HE1      PHE  49   3.775   0.856   1.518
  344    HE2  PHE  49           HE2      PHE  49   3.483   4.802  -0.013
  345    HZ   PHE  49           HZ       PHE  49   3.720   3.277   1.889
  346    H    LYS  50           H        LYS  50   3.265  -1.563  -4.141
  347    HA   LYS  50           HA       LYS  50   1.859  -3.409  -2.544
  348   1HB   LYS  50          1HB       LYS  50   4.563  -3.767  -3.862
  349   2HB   LYS  50          2HB       LYS  50   3.442  -5.025  -3.383
  350   1HG   LYS  50          1HG       LYS  50   1.727  -3.902  -4.969
  351   2HG   LYS  50          2HG       LYS  50   3.064  -2.949  -5.582
  352   1HD   LYS  50          1HD       LYS  50   3.084  -4.764  -7.065
  353   2HD   LYS  50          2HD       LYS  50   4.272  -5.279  -5.884
  354   1HE   LYS  50          1HE       LYS  50   2.837  -6.871  -4.919
  355   2HE   LYS  50          2HE       LYS  50   1.385  -6.013  -5.394
  356   1HZ   LYS  50          1HZ       LYS  50   2.456  -6.599  -7.751
  357   2HZ   LYS  50          2HZ       LYS  50   2.942  -7.895  -6.883
  358   3HZ   LYS  50          3HZ       LYS  50   1.353  -7.536  -6.996
  359    HA   PRO  51           HA       PRO  51   4.070  -3.284   1.160
  360   1HB   PRO  51          1HB       PRO  51   4.160  -5.893   1.967
  361   2HB   PRO  51          2HB       PRO  51   2.737  -4.885   2.141
  362   1HG   PRO  51          1HG       PRO  51   3.249  -7.048   0.192
  363   2HG   PRO  51          2HG       PRO  51   1.720  -6.331   0.660
  364   1HD   PRO  51          1HD       PRO  51   3.179  -5.834  -1.759
  365   2HD   PRO  51          2HD       PRO  51   1.711  -5.032  -1.237
  366    H    LEU  52           H        LEU  52   6.095  -2.759   1.678
  367    HA   LEU  52           HA       LEU  52   8.200  -3.193   0.123
  368   1HB   LEU  52          1HB       LEU  52   8.479  -1.766   1.924
  369   2HB   LEU  52          2HB       LEU  52   7.945  -2.954   3.096
  370    HG   LEU  52           HG       LEU  52  10.543  -3.212   1.567
  371   1HD1  LEU  52          1HD1      LEU  52   9.886  -1.614   3.998
  372   2HD1  LEU  52          2HD1      LEU  52  11.427  -2.504   3.970
  373   3HD1  LEU  52          3HD1      LEU  52  11.068  -1.308   2.702
  374   1HD2  LEU  52          1HD2      LEU  52   9.102  -4.933   3.353
  375   2HD2  LEU  52          2HD2      LEU  52  10.640  -5.218   2.504
  376   3HD2  LEU  52          3HD2      LEU  52  10.639  -4.449   4.109
  377    H    GLN  53           H        GLN  53   9.557  -4.818  -0.518
  378    HA   GLN  53           HA       GLN  53   8.732  -7.434  -0.056
  379   1HB   GLN  53          1HB       GLN  53  10.864  -6.045  -1.561
  380   2HB   GLN  53          2HB       GLN  53  11.346  -7.635  -1.003
  381   1HG   GLN  53          1HG       GLN  53  10.256  -7.678  -3.270
  382   2HG   GLN  53          2HG       GLN  53   9.434  -8.686  -2.095
  383   2HE2  GLN  53          2HE2      GLN  53   9.433  -5.160  -2.523
  384   1HE2  GLN  53          1HE2      GLN  53   7.734  -4.968  -2.800
  385    H    GLU  54           H        GLU  54   8.673  -7.416   2.362
  386    HA   GLU  54           HA       GLU  54  10.725  -6.960   4.011
  387   1HB   GLU  54          1HB       GLU  54   9.573  -8.244   5.612
  388   2HB   GLU  54          2HB       GLU  54   8.307  -7.808   4.481
  389   1HG   GLU  54          1HG       GLU  54   8.821 -10.051   3.278
  390   2HG   GLU  54          2HG       GLU  54   9.773 -10.470   4.689
  391    H    ALA  55           H        ALA  55  12.810  -7.662   4.128
  392    HA   ALA  55           HA       ALA  55  13.405 -10.442   3.876
  393   1HB   ALA  55          1HB       ALA  55  13.353 -10.052   1.524
  394   2HB   ALA  55          2HB       ALA  55  15.074 -10.003   1.979
  395   3HB   ALA  55          3HB       ALA  55  14.186  -8.487   1.688
  396    H    GLU  56           H        GLU  56  15.159  -7.310   3.285
  397    HA   GLU  56           HA       GLU  56  17.400  -7.927   4.626
  398   1HB   GLU  56          1HB       GLU  56  17.636  -5.426   5.004
  399   2HB   GLU  56          2HB       GLU  56  17.274  -5.892   3.354
  400   1HG   GLU  56          1HG       GLU  56  14.732  -5.593   4.218
  401   2HG   GLU  56          2HG       GLU  56  15.505  -4.531   5.379
  402    H    CYS  57           H        CYS  57  14.478  -6.278   6.030
  403    HA   CYS  57           HA       CYS  57  14.496  -7.689   8.380
  404   1HB   CYS  57          1HB       CYS  57  16.680  -5.963   8.382
  405   2HB   CYS  57          2HB       CYS  57  15.469  -5.106   9.315
  406    H    THR  58           H        THR  58  13.136  -6.337  10.126
  407    HA   THR  58           HA       THR  58  11.091  -4.922   8.582
  408    HB   THR  58           HB       THR  58   9.733  -5.415  10.675
  409    HG1  THR  58           HG1      THR  58  11.572  -5.507  12.132
  410   1HG2  THR  58          1HG2      THR  58  11.143  -7.615   9.136
  411   2HG2  THR  58          2HG2      THR  58  10.144  -8.050  10.544
  412   3HG2  THR  58          3HG2      THR  58   9.412  -7.202   9.161
  413    H    PHE  59           H        PHE  59   9.882  -3.193  10.055
  414    HA   PHE  59           HA       PHE  59  11.513  -1.006  10.155
  415   1HB   PHE  59          1HB       PHE  59   8.912  -1.327  10.279
  416   2HB   PHE  59          2HB       PHE  59   9.126  -1.593  11.997
  417    HD1  PHE  59           HD1      PHE  59  10.060   0.267  13.412
  418    HD2  PHE  59           HD2      PHE  59   8.882   0.862   9.379
  419    HE1  PHE  59           HE1      PHE  59   9.951   2.743  13.809
  420    HE2  PHE  59           HE2      PHE  59   8.773   3.338   9.776
  421    HZ   PHE  59           HZ       PHE  59   9.309   4.249  11.986

  No H/Q in entry =         421
  Start of MODEL   16
    1    H    GLU   1           H        GLU   1   5.961 -12.928  16.918
    2    HA   GLU   1           HA       GLU   1   6.634 -12.106  19.065
    3   1HB   GLU   1          1HB       GLU   1   8.274 -12.226  16.708
    4   2HB   GLU   1          2HB       GLU   1   8.857 -10.890  17.681
    5   1HG   GLU   1          1HG       GLU   1   8.548 -12.702  19.668
    6   2HG   GLU   1          2HG       GLU   1   8.763 -13.826  18.341
    7    H    GLU   2           H        GLU   2   6.335  -9.635  16.472
    8    HA   GLU   2           HA       GLU   2   5.464  -7.728  18.321
    9   1HB   GLU   2          1HB       GLU   2   7.370  -6.069  17.909
   10   2HB   GLU   2          2HB       GLU   2   7.730  -7.397  18.994
   11   1HG   GLU   2          1HG       GLU   2   8.475  -8.552  16.639
   12   2HG   GLU   2          2HG       GLU   2   8.754  -6.873  16.222
   13    H    TYR   3           H        TYR   3   7.306  -7.981  15.189
   14    HA   TYR   3           HA       TYR   3   5.376  -6.147  13.994
   15   1HB   TYR   3          1HB       TYR   3   7.671  -5.613  13.488
   16   2HB   TYR   3          2HB       TYR   3   8.145  -7.300  13.451
   17    HD1  TYR   3           HD1      TYR   3   5.207  -6.008  11.607
   18    HD2  TYR   3           HD2      TYR   3   9.313  -7.180  11.347
   19    HE1  TYR   3           HE1      TYR   3   5.056  -5.998   9.069
   20    HE2  TYR   3           HE2      TYR   3   9.149  -7.166   8.810
   21    HH   TYR   3           HH       TYR   3   7.740  -7.140   7.100
   22    H    VAL   4           H        VAL   4   3.509  -7.398  13.650
   23    HA   VAL   4           HA       VAL   4   3.831  -9.396  11.554
   24    HB   VAL   4           HB       VAL   4   2.004 -10.693  12.926
   25   1HG1  VAL   4          1HG1      VAL   4   4.994 -10.774  13.409
   26   2HG1  VAL   4          2HG1      VAL   4   3.872 -12.010  14.025
   27   3HG1  VAL   4          3HG1      VAL   4   4.035 -11.751  12.272
   28   1HG2  VAL   4          1HG2      VAL   4   3.510  -9.189  15.090
   29   2HG2  VAL   4          2HG2      VAL   4   1.762  -9.141  14.760
   30   3HG2  VAL   4          3HG2      VAL   4   2.510 -10.635  15.372
   31    H    GLY   5           H        GLY   5   3.101  -6.795  11.089
   32   1HA   GLY   5          1HA       GLY   5   0.150  -6.908  10.908
   33   2HA   GLY   5          2HA       GLY   5   1.163  -6.475   9.545
   34    H    LEU   6           H        LEU   6   0.681  -5.577  13.038
   35    HA   LEU   6           HA       LEU   6  -0.063  -3.016  12.700
   36   1HB   LEU   6          1HB       LEU   6   0.990  -2.600  14.936
   37   2HB   LEU   6          2HB       LEU   6  -0.134  -3.940  14.840
   38    HG   LEU   6           HG       LEU   6   2.101  -4.181  16.163
   39   1HD1  LEU   6          1HD1      LEU   6   0.317  -5.976  15.000
   40   2HD1  LEU   6          2HD1      LEU   6   1.925  -6.596  14.557
   41   3HD1  LEU   6          3HD1      LEU   6   1.517  -6.324  16.268
   42   1HD2  LEU   6          1HD2      LEU   6   3.488  -3.407  14.212
   43   2HD2  LEU   6          2HD2      LEU   6   4.007  -4.938  14.956
   44   3HD2  LEU   6          3HD2      LEU   6   3.111  -4.955  13.418
   45    H    SER   7           H        SER   7   1.141  -0.925  13.006
   46    HA   SER   7           HA       SER   7   2.731   0.489  12.535
   47   1HB   SER   7          1HB       SER   7   4.982  -0.067  12.719
   48   2HB   SER   7          2HB       SER   7   4.251  -1.432  13.539
   49    HG   SER   7           HG       SER   7   5.951  -1.688  11.645
   50    H    ALA   8           H        ALA   8   4.546   0.857  10.545
   51    HA   ALA   8           HA       ALA   8   3.025   0.113   8.148
   52   1HB   ALA   8          1HB       ALA   8   4.051   2.591   9.161
   53   2HB   ALA   8          2HB       ALA   8   4.934   2.197   7.667
   54   3HB   ALA   8          3HB       ALA   8   3.157   2.298   7.651
   55    H    ASN   9           H        ASN   9   5.344  -1.252   9.849
   56    HA   ASN   9           HA       ASN   9   7.675  -1.264   8.582
   57   1HB   ASN   9          1HB       ASN   9   6.078  -3.263  10.079
   58   2HB   ASN   9          2HB       ASN   9   7.213  -4.014   8.975
   59   2HD2  ASN   9          2HD2      ASN   9   9.456  -3.142   8.999
   60   1HD2  ASN   9          1HD2      ASN   9  10.167  -2.736  10.526
   61    H    GLN  10           H        GLN  10   4.577  -2.735   7.520
   62    HA   GLN  10           HA       GLN  10   5.802  -4.082   5.327
   63   1HB   GLN  10          1HB       GLN  10   3.540  -4.560   6.737
   64   2HB   GLN  10          2HB       GLN  10   2.835  -3.634   5.427
   65   1HG   GLN  10          1HG       GLN  10   4.092  -5.190   3.804
   66   2HG   GLN  10          2HG       GLN  10   4.486  -6.188   5.190
   67   2HE2  GLN  10          2HE2      GLN  10   2.311  -6.196   6.723
   68   1HE2  GLN  10          1HE2      GLN  10   0.936  -6.877   5.917
   69    H    CYS  11           H        CYS  11   4.090  -1.015   5.957
   70    HA   CYS  11           HA       CYS  11   4.379  -0.383   3.110
   71   1HB   CYS  11          1HB       CYS  11   2.607   1.248   4.859
   72   2HB   CYS  11          2HB       CYS  11   2.476   0.879   3.151
   73    H    ALA  12           H        ALA  12   6.681  -0.278   4.653
   74    HA   ALA  12           HA       ALA  12   6.935   2.587   5.268
   75   1HB   ALA  12          1HB       ALA  12   9.002   1.554   6.600
   76   2HB   ALA  12          2HB       ALA  12   7.371   1.599   7.311
   77   3HB   ALA  12          3HB       ALA  12   7.981   0.097   6.578
   78    H    VAL  13           H        VAL  13   7.058   2.174   2.652
   79    HA   VAL  13           HA       VAL  13   9.789   1.483   1.934
   80    HB   VAL  13           HB       VAL  13   7.916   2.437  -0.126
   81   1HG1  VAL  13          1HG1      VAL  13  10.104   0.522   0.208
   82   2HG1  VAL  13          2HG1      VAL  13   8.744  -0.144  -0.728
   83   3HG1  VAL  13          3HG1      VAL  13   9.530   1.364  -1.252
   84   1HG2  VAL  13          1HG2      VAL  13   7.233   0.103   1.661
   85   2HG2  VAL  13          2HG2      VAL  13   6.184   1.413   1.069
   86   3HG2  VAL  13          3HG2      VAL  13   6.728   0.137  -0.045
   87    HA   PRO  14           HA       PRO  14  11.017   5.615   1.636
   88   1HB   PRO  14          1HB       PRO  14  13.048   5.457  -0.186
   89   2HB   PRO  14          2HB       PRO  14  13.239   5.025   1.502
   90   1HG   PRO  14          1HG       PRO  14  13.016   3.250  -0.852
   91   2HG   PRO  14          2HG       PRO  14  13.622   2.878   0.750
   92   1HD   PRO  14          1HD       PRO  14  11.063   2.157  -0.328
   93   2HD   PRO  14          2HD       PRO  14  11.624   1.887   1.310
   94    H    ALA  15           H        ALA  15   9.196   4.204  -0.608
   95    HA   ALA  15           HA       ALA  15   7.793   5.195  -2.053
   96   1HB   ALA  15          1HB       ALA  15   8.826   7.424  -0.766
   97   2HB   ALA  15          2HB       ALA  15   7.540   7.441  -1.997
   98   3HB   ALA  15          3HB       ALA  15   9.231   7.730  -2.472
   99    H    LYS  16           H        LYS  16  11.312   5.258  -2.318
  100    HA   LYS  16           HA       LYS  16  11.193   5.361  -5.211
  101   1HB   LYS  16          1HB       LYS  16  13.625   5.395  -5.088
  102   2HB   LYS  16          2HB       LYS  16  12.932   6.621  -4.045
  103   1HG   LYS  16          1HG       LYS  16  14.386   5.723  -2.502
  104   2HG   LYS  16          2HG       LYS  16  13.070   4.595  -2.243
  105   1HD   LYS  16          1HD       LYS  16  14.815   3.093  -2.596
  106   2HD   LYS  16          2HD       LYS  16  14.219   3.247  -4.237
  107   1HE   LYS  16          1HE       LYS  16  15.945   5.262  -4.387
  108   2HE   LYS  16          2HE       LYS  16  16.689   4.494  -2.998
  109   1HZ   LYS  16          1HZ       LYS  16  16.786   2.447  -4.295
  110   2HZ   LYS  16          2HZ       LYS  16  16.173   3.222  -5.596
  111   3HZ   LYS  16          3HZ       LYS  16  17.631   3.653  -5.000
  112    H    ASP  17           H        ASP  17  10.354   3.085  -3.037
  113    HA   ASP  17           HA       ASP  17  11.457   0.980  -4.725
  114   1HB   ASP  17          1HB       ASP  17  11.823   1.366  -1.914
  115   2HB   ASP  17          2HB       ASP  17  10.707   0.025  -2.073
  116    H    ARG  18           H        ARG  18   8.849   2.656  -4.589
  117    HA   ARG  18           HA       ARG  18   6.896   0.872  -3.605
  118   1HB   ARG  18          1HB       ARG  18   6.421   3.167  -5.558
  119   2HB   ARG  18          2HB       ARG  18   5.291   2.513  -4.389
  120   1HG   ARG  18          1HG       ARG  18   7.915   3.649  -3.400
  121   2HG   ARG  18          2HG       ARG  18   6.643   4.757  -3.875
  122   1HD   ARG  18          1HD       ARG  18   5.272   2.884  -2.305
  123   2HD   ARG  18          2HD       ARG  18   6.818   3.014  -1.489
  124    HE   ARG  18           HE       ARG  18   5.488   5.562  -2.234
  125   1HH1  ARG  18          1HH1      ARG  18   6.269   3.223   0.276
  126   2HH1  ARG  18          2HH1      ARG  18   5.932   4.315   1.577
  127   1HH2  ARG  18          1HH2      ARG  18   5.043   7.003  -0.518
  128   2HH2  ARG  18          2HH2      ARG  18   5.230   6.480   1.123
  129    H    VAL  19           H        VAL  19   5.548  -0.569  -4.780
  130    HA   VAL  19           HA       VAL  19   6.492  -1.133  -7.487
  131    HB   VAL  19           HB       VAL  19   4.959  -2.717  -5.426
  132   1HG1  VAL  19          1HG1      VAL  19   5.487  -3.344  -8.340
  133   2HG1  VAL  19          2HG1      VAL  19   5.165  -4.609  -7.129
  134   3HG1  VAL  19          3HG1      VAL  19   3.938  -3.363  -7.463
  135   1HG2  VAL  19          1HG2      VAL  19   7.757  -2.730  -6.502
  136   2HG2  VAL  19          2HG2      VAL  19   7.173  -2.925  -4.832
  137   3HG2  VAL  19          3HG2      VAL  19   7.026  -4.270  -5.988
  138    H    ASP  20           H        ASP  20   4.242   0.807  -6.026
  139    HA   ASP  20           HA       ASP  20   2.284   1.609  -6.545
  140   1HB   ASP  20          1HB       ASP  20   3.358   2.597  -8.428
  141   2HB   ASP  20          2HB       ASP  20   3.518   1.063  -9.259
  142    H    CYS  21           H        CYS  21   0.696   0.141  -5.762
  143    HA   CYS  21           HA       CYS  21   0.209  -2.338  -7.005
  144   1HB   CYS  21          1HB       CYS  21  -0.378  -1.244  -4.581
  145   2HB   CYS  21          2HB       CYS  21  -1.944  -1.160  -5.363
  146    H    GLY  22           H        GLY  22  -0.794   0.987  -7.543
  147   1HA   GLY  22          1HA       GLY  22  -2.100   0.359  -9.974
  148   2HA   GLY  22          2HA       GLY  22  -2.038   1.917  -9.173
  149    H    TYR  23           H        TYR  23  -3.734   2.585  -7.769
  150    HA   TYR  23           HA       TYR  23  -6.149   0.961  -8.052
  151   1HB   TYR  23          1HB       TYR  23  -4.625   1.887  -5.589
  152   2HB   TYR  23          2HB       TYR  23  -6.374   1.952  -5.496
  153    HD1  TYR  23           HD1      TYR  23  -7.613  -0.289  -6.247
  154    HD2  TYR  23           HD2      TYR  23  -3.548  -0.067  -4.931
  155    HE1  TYR  23           HE1      TYR  23  -7.667  -2.758  -5.642
  156    HE2  TYR  23           HE2      TYR  23  -3.616  -2.537  -4.331
  157    HH   TYR  23           HH       TYR  23  -4.748  -4.431  -4.637
  158    HA   PRO  24           HA       PRO  24  -7.881   4.859  -8.788
  159   1HB   PRO  24          1HB       PRO  24 -10.537   4.308  -8.454
  160   2HB   PRO  24          2HB       PRO  24  -9.657   3.932  -9.922
  161   1HG   PRO  24          1HG       PRO  24 -10.558   2.103  -7.781
  162   2HG   PRO  24          2HG       PRO  24 -10.071   1.719  -9.420
  163   1HD   PRO  24          1HD       PRO  24  -8.519   1.346  -7.037
  164   2HD   PRO  24          2HD       PRO  24  -7.991   1.072  -8.685
  165    H    HIS  25           H        HIS  25 -10.096   3.673  -6.327
  166    HA   HIS  25           HA       HIS  25  -9.699   6.177  -4.946
  167   1HB   HIS  25          1HB       HIS  25 -11.635   5.574  -3.666
  168   2HB   HIS  25          2HB       HIS  25 -11.967   5.289  -5.363
  169    HD1  HIS  25           HD1      HIS  25 -13.705   3.839  -3.347
  170    HD2  HIS  25           HD2      HIS  25 -10.127   2.233  -4.834
  171    HE1  HIS  25           HE1      HIS  25 -13.871   1.312  -3.033
  172    HE2  HIS  25           HE2      HIS  25 -11.667   0.376  -4.015
  173    H    VAL  26           H        VAL  26  -7.524   5.933  -4.184
  174    HA   VAL  26           HA       VAL  26  -7.090   3.711  -2.342
  175    HB   VAL  26           HB       VAL  26  -4.736   4.503  -2.418
  176   1HG1  VAL  26          1HG1      VAL  26  -6.041   3.869  -5.086
  177   2HG1  VAL  26          2HG1      VAL  26  -4.300   3.743  -4.741
  178   3HG1  VAL  26          3HG1      VAL  26  -5.456   2.699  -3.879
  179   1HG2  VAL  26          1HG2      VAL  26  -5.481   6.898  -3.076
  180   2HG2  VAL  26          2HG2      VAL  26  -3.996   6.236  -3.800
  181   3HG2  VAL  26          3HG2      VAL  26  -5.507   6.267  -4.741
  182    H    THR  27           H        THR  27  -6.857   3.986  -0.138
  183    HA   THR  27           HA       THR  27  -6.586   6.664   0.928
  184    HB   THR  27           HB       THR  27  -8.717   6.788   1.935
  185    HG1  THR  27           HG1      THR  27  -9.839   4.801   2.416
  186   1HG2  THR  27          1HG2      THR  27  -9.159   5.067  -0.561
  187   2HG2  THR  27          2HG2      THR  27 -10.463   5.884   0.333
  188   3HG2  THR  27          3HG2      THR  27  -9.207   6.844  -0.484
  189    HA   PRO  28           HA       PRO  28  -4.697   4.570   4.166
  190   1HB   PRO  28          1HB       PRO  28  -5.414   5.921   6.431
  191   2HB   PRO  28          2HB       PRO  28  -4.197   6.503   5.312
  192   1HG   PRO  28          1HG       PRO  28  -6.973   7.447   5.688
  193   2HG   PRO  28          2HG       PRO  28  -5.633   8.262   4.906
  194   1HD   PRO  28          1HD       PRO  28  -7.833   6.951   3.614
  195   2HD   PRO  28          2HD       PRO  28  -6.435   7.664   2.836
  196    H    LYS  29           H        LYS  29  -7.034   3.277   3.279
  197    HA   LYS  29           HA       LYS  29  -7.299   1.417   5.319
  198   1HB   LYS  29          1HB       LYS  29  -8.566   3.510   6.265
  199   2HB   LYS  29          2HB       LYS  29  -9.836   3.024   5.160
  200   1HG   LYS  29          1HG       LYS  29  -8.740   0.737   6.673
  201   2HG   LYS  29          2HG       LYS  29  -9.388   1.979   7.727
  202   1HD   LYS  29          1HD       LYS  29 -11.547   1.935   6.527
  203   2HD   LYS  29          2HD       LYS  29 -10.909   0.799   5.354
  204   1HE   LYS  29          1HE       LYS  29 -11.511  -0.923   6.699
  205   2HE   LYS  29          2HE       LYS  29 -10.406  -0.345   7.931
  206   1HZ   LYS  29          1HZ       LYS  29 -12.487   1.322   8.173
  207   2HZ   LYS  29          2HZ       LYS  29 -13.236  -0.077   7.787
  208   3HZ   LYS  29          3HZ       LYS  29 -12.250  -0.011   9.087
  209    H    GLU  30           H        GLU  30  -8.958   3.133   2.610
  210    HA   GLU  30           HA       GLU  30 -10.255   0.785   1.750
  211   1HB   GLU  30          1HB       GLU  30 -11.188   2.985   1.240
  212   2HB   GLU  30          2HB       GLU  30  -9.734   3.460   0.386
  213   1HG   GLU  30          1HG       GLU  30 -10.359   2.374  -1.525
  214   2HG   GLU  30          2HG       GLU  30 -10.854   0.936  -0.655
  215    H    CYS  31           H        CYS  31  -7.198   2.480   0.928
  216    HA   CYS  31           HA       CYS  31  -6.653   0.854  -1.321
  217   1HB   CYS  31          1HB       CYS  31  -5.548   2.847  -1.452
  218   2HB   CYS  31          2HB       CYS  31  -5.194   2.908   0.264
  219    H    ASN  32           H        ASN  32  -6.077   0.731   2.200
  220    HA   ASN  32           HA       ASN  32  -4.238  -1.437   1.942
  221   1HB   ASN  32          1HB       ASN  32  -5.631  -0.550   4.507
  222   2HB   ASN  32          2HB       ASN  32  -4.063  -1.315   4.351
  223   2HD2  ASN  32          2HD2      ASN  32  -2.422  -0.036   4.657
  224   1HD2  ASN  32          1HD2      ASN  32  -2.317   1.654   4.295
  225    H    ASN  33           H        ASN  33  -7.593  -1.038   1.711
  226    HA   ASN  33           HA       ASN  33  -8.196  -3.532   3.048
  227   1HB   ASN  33          1HB       ASN  33  -9.731  -1.652   3.493
  228   2HB   ASN  33          2HB       ASN  33  -9.963  -1.379   1.777
  229   2HD2  ASN  33          2HD2      ASN  33 -11.311  -2.651   4.454
  230   1HD2  ASN  33          1HD2      ASN  33 -12.376  -3.840   3.782
  231    H    ARG  34           H        ARG  34  -8.244  -1.841  -0.140
  232    HA   ARG  34           HA       ARG  34  -9.577  -3.706  -1.601
  233   1HB   ARG  34          1HB       ARG  34  -8.361  -1.324  -2.151
  234   2HB   ARG  34          2HB       ARG  34  -7.188  -2.401  -2.882
  235   1HG   ARG  34          1HG       ARG  34  -8.898  -1.723  -4.539
  236   2HG   ARG  34          2HG       ARG  34  -8.962  -3.452  -4.260
  237   1HD   ARG  34          1HD       ARG  34 -10.951  -3.292  -2.937
  238   2HD   ARG  34          2HD       ARG  34 -10.738  -1.575  -2.658
  239    HE   ARG  34           HE       ARG  34 -10.980  -2.041  -5.483
  240   1HH1  ARG  34          1HH1      ARG  34 -12.914  -2.055  -2.543
  241   2HH1  ARG  34          2HH1      ARG  34 -14.394  -1.687  -3.363
  242   1HH2  ARG  34          1HH2      ARG  34 -12.933  -1.554  -6.565
  243   2HH2  ARG  34          2HH2      ARG  34 -14.405  -1.400  -5.666
  244    H    GLY  35           H        GLY  35  -6.334  -3.790  -0.222
  245   1HA   GLY  35          1HA       GLY  35  -5.816  -6.335  -1.642
  246   2HA   GLY  35          2HA       GLY  35  -5.439  -6.049   0.045
  247    H    CYS  36           H        CYS  36  -3.928  -4.105   0.508
  248    HA   CYS  36           HA       CYS  36  -1.520  -4.506  -0.661
  249   1HB   CYS  36          1HB       CYS  36  -3.122  -3.159  -2.520
  250   2HB   CYS  36          2HB       CYS  36  -2.092  -1.916  -1.837
  251    H    CYS  37           H        CYS  37  -0.575  -1.701  -0.651
  252    HA   CYS  37           HA       CYS  37  -1.228  -1.021   2.125
  253   1HB   CYS  37          1HB       CYS  37   1.390  -1.280   0.734
  254   2HB   CYS  37          2HB       CYS  37   1.218   0.043   1.870
  255    H    PHE  38           H        PHE  38  -1.236   1.315   2.591
  256    HA   PHE  38           HA       PHE  38  -1.591   2.903   0.146
  257   1HB   PHE  38          1HB       PHE  38  -3.681   2.562   1.437
  258   2HB   PHE  38          2HB       PHE  38  -2.865   2.939   2.941
  259    HD1  PHE  38           HD1      PHE  38  -4.099   4.390  -0.222
  260    HD2  PHE  38           HD2      PHE  38  -2.627   5.185   3.677
  261    HE1  PHE  38           HE1      PHE  38  -4.781   6.794  -0.455
  262    HE2  PHE  38           HE2      PHE  38  -3.309   7.589   3.444
  263    HZ   PHE  38           HZ       PHE  38  -4.377   8.365   1.381
  264    H    ASP  39           H        ASP  39  -1.387   5.399   0.737
  265    HA   ASP  39           HA       ASP  39   0.218   6.147   2.844
  266   1HB   ASP  39          1HB       ASP  39   2.008   4.861   1.751
  267   2HB   ASP  39          2HB       ASP  39   1.694   5.652   0.219
  268    H    SER  40           H        SER  40   0.409   8.485   2.822
  269    HA   SER  40           HA       SER  40  -0.469   9.744   0.349
  270   1HB   SER  40          1HB       SER  40  -1.904  11.283   1.608
  271   2HB   SER  40          2HB       SER  40  -2.389   9.628   1.923
  272    HG   SER  40           HG       SER  40  -1.543  11.539   3.695
  273    H    ARG  41           H        ARG  41   2.133   9.257   2.065
  274    HA   ARG  41           HA       ARG  41   2.924  11.609   3.188
  275   1HB   ARG  41          1HB       ARG  41   4.065   9.158   2.850
  276   2HB   ARG  41          2HB       ARG  41   4.971  10.038   1.636
  277   1HG   ARG  41          1HG       ARG  41   5.005  11.787   3.824
  278   2HG   ARG  41          2HG       ARG  41   5.124  10.213   4.584
  279   1HD   ARG  41          1HD       ARG  41   7.250   9.867   3.807
  280   2HD   ARG  41          2HD       ARG  41   6.853  10.434   2.197
  281    HE   ARG  41           HE       ARG  41   6.928  12.638   4.081
  282   1HH1  ARG  41          1HH1      ARG  41   8.984  10.503   2.185
  283   2HH1  ARG  41          2HH1      ARG  41  10.299  11.627   2.109
  284   1HH2  ARG  41          1HH2      ARG  41   8.663  14.122   3.981
  285   2HH2  ARG  41          2HH2      ARG  41  10.116  13.699   3.138
  286    H    ILE  42           H        ILE  42   3.495  10.398  -0.198
  287    HA   ILE  42           HA       ILE  42   3.564  13.173  -1.079
  288    HB   ILE  42           HB       ILE  42   5.553  12.068  -2.595
  289   1HG1  ILE  42          1HG1      ILE  42   7.172  11.088  -0.995
  290   2HG1  ILE  42          2HG1      ILE  42   5.933  11.074   0.244
  291   1HG2  ILE  42          1HG2      ILE  42   5.594  13.827  -0.146
  292   2HG2  ILE  42          2HG2      ILE  42   7.071  13.451  -1.065
  293   3HG2  ILE  42          3HG2      ILE  42   5.716  14.286  -1.862
  294   1HD1  ILE  42          1HD1      ILE  42   4.986   9.841  -2.255
  295   2HD1  ILE  42          2HD1      ILE  42   6.431   9.032  -1.602
  296   3HD1  ILE  42          3HD1      ILE  42   4.971   9.194  -0.597
  297    HA   PRO  43           HA       PRO  43   1.091  11.347  -4.129
  298   1HB   PRO  43          1HB       PRO  43   0.796  13.498  -5.789
  299   2HB   PRO  43          2HB       PRO  43  -0.167  13.264  -4.344
  300   1HG   PRO  43          1HG       PRO  43   2.075  15.138  -4.794
  301   2HG   PRO  43          2HG       PRO  43   0.846  15.176  -3.545
  302   1HD   PRO  43          1HD       PRO  43   3.570  14.329  -3.247
  303   2HD   PRO  43          2HD       PRO  43   2.312  14.258  -2.029
  304    H    GLY  44           H        GLY  44   3.968  13.088  -5.090
  305   1HA   GLY  44          1HA       GLY  44   5.603  12.411  -6.505
  306   2HA   GLY  44          2HA       GLY  44   4.294  12.422  -7.669
  307    H    VAL  45           H        VAL  45   4.724  10.211  -4.840
  308    HA   VAL  45           HA       VAL  45   5.382   8.045  -6.669
  309    HB   VAL  45           HB       VAL  45   6.320   6.997  -4.892
  310   1HG1  VAL  45          1HG1      VAL  45   7.249   9.361  -5.143
  311   2HG1  VAL  45          2HG1      VAL  45   6.327   9.770  -3.677
  312   3HG1  VAL  45          3HG1      VAL  45   7.598   8.526  -3.610
  313   1HG2  VAL  45          1HG2      VAL  45   4.174   8.284  -3.197
  314   2HG2  VAL  45          2HG2      VAL  45   4.457   6.557  -3.522
  315   3HG2  VAL  45          3HG2      VAL  45   5.578   7.461  -2.475
  316    HA   PRO  46           HA       PRO  46   1.500   6.161  -6.370
  317   1HB   PRO  46          1HB       PRO  46   1.999   3.500  -5.997
  318   2HB   PRO  46          2HB       PRO  46   2.152   4.295  -7.552
  319   1HG   PRO  46          1HG       PRO  46   4.284   3.407  -5.707
  320   2HG   PRO  46          2HG       PRO  46   4.400   3.803  -7.410
  321   1HD   PRO  46          1HD       PRO  46   5.234   5.440  -5.208
  322   2HD   PRO  46          2HD       PRO  46   5.242   5.881  -6.904
  323    H    TRP  47           H        TRP  47   0.536   7.223  -4.645
  324    HA   TRP  47           HA       TRP  47   0.936   6.934  -2.054
  325   1HB   TRP  47          1HB       TRP  47  -1.539   7.228  -3.673
  326   2HB   TRP  47          2HB       TRP  47  -1.740   6.845  -1.974
  327    HD1  TRP  47           HD1      TRP  47   1.161   9.143  -3.044
  328    HE1  TRP  47           HE1      TRP  47   0.815  11.602  -2.152
  329    HE3  TRP  47           HE3      TRP  47  -3.566   8.412  -1.320
  330    HZ2  TRP  47           HZ2      TRP  47  -1.349  12.936  -0.854
  331    HZ3  TRP  47           HZ3      TRP  47  -4.725  10.345  -0.254
  332    HH2  TRP  47           HH2      TRP  47  -3.692  12.547  -0.008
  333    H    CYS  48           H        CYS  48  -1.022   4.613  -4.057
  334    HA   CYS  48           HA       CYS  48  -0.932   2.738  -1.844
  335   1HB   CYS  48          1HB       CYS  48  -3.026   3.306  -3.238
  336   2HB   CYS  48          2HB       CYS  48  -2.313   2.302  -4.484
  337    H    PHE  49           H        PHE  49   0.882   1.454  -1.757
  338    HA   PHE  49           HA       PHE  49   1.871   0.410  -4.309
  339   1HB   PHE  49          1HB       PHE  49   4.178   0.613  -3.091
  340   2HB   PHE  49          2HB       PHE  49   3.464   2.114  -3.644
  341    HD1  PHE  49           HD1      PHE  49   3.613  -0.063  -0.620
  342    HD2  PHE  49           HD2      PHE  49   3.243   3.876  -2.155
  343    HE1  PHE  49           HE1      PHE  49   3.741   0.857   1.711
  344    HE2  PHE  49           HE2      PHE  49   3.371   4.796   0.177
  345    HZ   PHE  49           HZ       PHE  49   3.618   3.276   2.082
  346    H    LYS  50           H        LYS  50   3.198  -1.618  -4.029
  347    HA   LYS  50           HA       LYS  50   1.804  -3.426  -2.394
  348   1HB   LYS  50          1HB       LYS  50   4.476  -3.824  -3.767
  349   2HB   LYS  50          2HB       LYS  50   3.363  -5.071  -3.244
  350   1HG   LYS  50          1HG       LYS  50   1.613  -3.874  -4.789
  351   2HG   LYS  50          2HG       LYS  50   2.995  -3.055  -5.489
  352   1HD   LYS  50          1HD       LYS  50   2.815  -4.936  -6.882
  353   2HD   LYS  50          2HD       LYS  50   4.019  -5.472  -5.727
  354   1HE   LYS  50          1HE       LYS  50   2.478  -6.855  -4.558
  355   2HE   LYS  50          2HE       LYS  50   1.083  -5.990  -5.170
  356   1HZ   LYS  50          1HZ       LYS  50   2.084  -6.843  -7.425
  357   2HZ   LYS  50          2HZ       LYS  50   2.670  -8.024  -6.461
  358   3HZ   LYS  50          3HZ       LYS  50   1.061  -7.754  -6.536
  359    HA   PRO  51           HA       PRO  51   4.086  -3.373   1.269
  360   1HB   PRO  51          1HB       PRO  51   4.227  -5.995   2.028
  361   2HB   PRO  51          2HB       PRO  51   2.793  -5.011   2.243
  362   1HG   PRO  51          1HG       PRO  51   3.304  -7.130   0.247
  363   2HG   PRO  51          2HG       PRO  51   1.772  -6.445   0.753
  364   1HD   PRO  51          1HD       PRO  51   3.184  -5.883  -1.680
  365   2HD   PRO  51          2HD       PRO  51   1.713  -5.113  -1.120
  366    H    LEU  52           H        LEU  52   6.107  -2.733   1.625
  367    HA   LEU  52           HA       LEU  52   8.182  -3.173   0.058
  368   1HB   LEU  52          1HB       LEU  52   8.412  -1.704   1.861
  369   2HB   LEU  52          2HB       LEU  52   8.043  -2.940   3.048
  370    HG   LEU  52           HG       LEU  52  10.550  -2.983   1.352
  371   1HD1  LEU  52          1HD1      LEU  52   9.899  -1.388   3.753
  372   2HD1  LEU  52          2HD1      LEU  52  11.438  -2.280   3.816
  373   3HD1  LEU  52          3HD1      LEU  52  11.128  -1.131   2.492
  374   1HD2  LEU  52          1HD2      LEU  52   9.356  -4.853   3.155
  375   2HD2  LEU  52          2HD2      LEU  52  10.882  -4.981   2.248
  376   3HD2  LEU  52          3HD2      LEU  52  10.870  -4.252   3.872
  377    H    GLN  53           H        GLN  53   9.642  -4.755  -0.516
  378    HA   GLN  53           HA       GLN  53   8.861  -7.389  -0.045
  379   1HB   GLN  53          1HB       GLN  53  10.966  -7.966  -1.267
  380   2HB   GLN  53          2HB       GLN  53  10.008  -6.758  -2.101
  381   1HG   GLN  53          1HG       GLN  53  11.878  -5.504  -0.215
  382   2HG   GLN  53          2HG       GLN  53  12.726  -6.541  -1.346
  383   2HE2  GLN  53          2HE2      GLN  53  11.410  -3.531  -0.817
  384   1HE2  GLN  53          1HE2      GLN  53  11.356  -2.916  -2.436
  385    H    GLU  54           H        GLU  54   8.783  -7.314   2.381
  386    HA   GLU  54           HA       GLU  54  10.797  -6.800   4.043
  387   1HB   GLU  54          1HB       GLU  54   9.691  -8.153   5.639
  388   2HB   GLU  54          2HB       GLU  54   8.419  -7.701   4.522
  389   1HG   GLU  54          1HG       GLU  54   9.982 -10.326   4.423
  390   2HG   GLU  54          2HG       GLU  54   8.373 -10.142   5.094
  391    H    ALA  55           H        ALA  55  12.829  -7.578   4.500
  392    HA   ALA  55           HA       ALA  55  13.509 -10.302   4.058
  393   1HB   ALA  55          1HB       ALA  55  14.429 -10.227   2.006
  394   2HB   ALA  55          2HB       ALA  55  13.688  -8.622   1.803
  395   3HB   ALA  55          3HB       ALA  55  15.354  -8.762   2.414
  396    H    GLU  56           H        GLU  56  15.180  -7.070   3.931
  397    HA   GLU  56           HA       GLU  56  16.528  -7.900   6.382
  398   1HB   GLU  56          1HB       GLU  56  17.663  -6.454   3.956
  399   2HB   GLU  56          2HB       GLU  56  18.481  -6.467   5.505
  400   1HG   GLU  56          1HG       GLU  56  17.578  -9.083   4.266
  401   2HG   GLU  56          2HG       GLU  56  19.051  -8.320   3.700
  402    H    CYS  57           H        CYS  57  17.557  -5.833   7.512
  403    HA   CYS  57           HA       CYS  57  17.319  -3.831   8.405
  404   1HB   CYS  57          1HB       CYS  57  16.216  -3.406   5.794
  405   2HB   CYS  57          2HB       CYS  57  15.241  -2.538   6.963
  406    H    THR  58           H        THR  58  14.065  -4.820   7.085
  407    HA   THR  58           HA       THR  58  12.444  -3.942   9.047
  408    HB   THR  58           HB       THR  58  10.959  -5.813   8.349
  409    HG1  THR  58           HG1      THR  58  13.499  -6.704   7.172
  410   1HG2  THR  58          1HG2      THR  58  12.315  -4.067   6.500
  411   2HG2  THR  58          2HG2      THR  58  12.215  -5.675   5.742
  412   3HG2  THR  58          3HG2      THR  58  10.733  -4.855   6.289
  413    H    PHE  59           H        PHE  59  13.977  -7.234   9.123
  414    HA   PHE  59           HA       PHE  59  13.161  -7.674  11.779
  415   1HB   PHE  59          1HB       PHE  59  14.208  -9.108   9.638
  416   2HB   PHE  59          2HB       PHE  59  15.635  -8.975  10.646
  417    HD1  PHE  59           HD1      PHE  59  12.086 -10.076  10.727
  418    HD2  PHE  59           HD2      PHE  59  15.953 -10.443  12.435
  419    HE1  PHE  59           HE1      PHE  59  11.292 -12.017  12.107
  420    HE2  PHE  59           HE2      PHE  59  15.159 -12.383  13.816
  421    HZ   PHE  59           HZ       PHE  59  12.838 -13.147  13.635

  No H/Q in entry =         421
  Start of MODEL   17
    1    H    GLU   1           H        GLU   1   9.705 -14.111  17.524
    2    HA   GLU   1           HA       GLU   1   8.406 -11.835  16.256
    3   1HB   GLU   1          1HB       GLU   1  10.229 -10.373  17.228
    4   2HB   GLU   1          2HB       GLU   1   9.097 -11.000  18.410
    5   1HG   GLU   1          1HG       GLU   1  10.832 -11.902  19.554
    6   2HG   GLU   1          2HG       GLU   1  11.139 -12.974  18.202
    7    H    GLU   2           H        GLU   2   8.990 -11.829  14.133
    8    HA   GLU   2           HA       GLU   2  11.606 -11.695  13.326
    9   1HB   GLU   2          1HB       GLU   2  11.253 -14.262  14.053
   10   2HB   GLU   2          2HB       GLU   2  10.587 -14.383  12.437
   11   1HG   GLU   2          1HG       GLU   2  12.693 -13.349  11.517
   12   2HG   GLU   2          2HG       GLU   2  13.358 -13.302  13.138
   13    H    TYR   3           H        TYR   3   8.628 -13.450  12.168
   14    HA   TYR   3           HA       TYR   3   8.643 -11.634   9.853
   15   1HB   TYR   3          1HB       TYR   3   8.948 -13.971   9.202
   16   2HB   TYR   3          2HB       TYR   3   7.823 -14.532  10.422
   17    HD1  TYR   3           HD1      TYR   3   7.727 -12.164   7.498
   18    HD2  TYR   3           HD2      TYR   3   5.828 -15.367   9.606
   19    HE1  TYR   3           HE1      TYR   3   5.864 -12.207   5.769
   20    HE2  TYR   3           HE2      TYR   3   3.971 -15.399   7.869
   21    HH   TYR   3           HH       TYR   3   2.965 -13.830   6.284
   22    H    VAL   4           H        VAL   4   7.411  -9.964  10.896
   23    HA   VAL   4           HA       VAL   4   4.595 -10.713  11.170
   24    HB   VAL   4           HB       VAL   4   4.689  -8.858  13.047
   25   1HG1  VAL   4          1HG1      VAL   4   3.857 -11.154  13.327
   26   2HG1  VAL   4          2HG1      VAL   4   5.526 -11.740  13.523
   27   3HG1  VAL   4          3HG1      VAL   4   4.822 -10.639  14.731
   28   1HG2  VAL   4          1HG2      VAL   4   7.491 -10.023  13.080
   29   2HG2  VAL   4          2HG2      VAL   4   7.028  -8.313  12.906
   30   3HG2  VAL   4          3HG2      VAL   4   6.748  -9.159  14.447
   31    H    GLY   5           H        GLY   5   3.616  -9.677   9.508
   32   1HA   GLY   5          1HA       GLY   5   4.225  -7.954   7.744
   33   2HA   GLY   5          2HA       GLY   5   4.324  -6.841   9.094
   34    H    LEU   6           H        LEU   6   2.465  -5.867   9.871
   35    HA   LEU   6           HA       LEU   6  -0.046  -6.872   8.725
   36   1HB   LEU   6          1HB       LEU   6  -0.948  -5.684  10.915
   37   2HB   LEU   6          2HB       LEU   6  -0.497  -7.376  10.861
   38    HG   LEU   6           HG       LEU   6   1.544  -5.323  11.669
   39   1HD1  LEU   6          1HD1      LEU   6  -0.560  -4.906  12.973
   40   2HD1  LEU   6          2HD1      LEU   6  -0.417  -6.560  13.615
   41   3HD1  LEU   6          3HD1      LEU   6   0.855  -5.361  13.951
   42   1HD2  LEU   6          1HD2      LEU   6   1.276  -8.241  11.699
   43   2HD2  LEU   6          2HD2      LEU   6   2.729  -7.215  11.744
   44   3HD2  LEU   6          3HD2      LEU   6   1.836  -7.559  13.244
   45    H    SER   7           H        SER   7   1.535  -3.965  10.232
   46    HA   SER   7           HA       SER   7   0.636  -2.450   7.961
   47   1HB   SER   7          1HB       SER   7  -0.510  -0.744   9.263
   48   2HB   SER   7          2HB       SER   7  -1.241  -2.297   9.615
   49    HG   SER   7           HG       SER   7  -0.927  -1.586  11.644
   50    H    ALA   8           H        ALA   8   1.946  -0.564   7.602
   51    HA   ALA   8           HA       ALA   8   3.597   0.908   7.975
   52   1HB   ALA   8          1HB       ALA   8   4.339   1.367  10.092
   53   2HB   ALA   8          2HB       ALA   8   4.592  -0.349  10.493
   54   3HB   ALA   8          3HB       ALA   8   2.954   0.344  10.543
   55    H    ASN   9           H        ASN   9   4.813  -2.115   9.586
   56    HA   ASN   9           HA       ASN   9   7.250  -2.112   8.461
   57   1HB   ASN   9          1HB       ASN   9   5.870  -3.828  10.093
   58   2HB   ASN   9          2HB       ASN   9   5.891  -4.793   8.630
   59   2HD2  ASN   9          2HD2      ASN   9   7.234  -5.133  11.226
   60   1HD2  ASN   9          1HD2      ASN   9   8.928  -5.292  10.902
   61    H    GLN  10           H        GLN  10   4.107  -3.123   7.083
   62    HA   GLN  10           HA       GLN  10   5.318  -4.362   4.819
   63   1HB   GLN  10          1HB       GLN  10   2.827  -4.352   4.031
   64   2HB   GLN  10          2HB       GLN  10   3.270  -5.357   5.396
   65   1HG   GLN  10          1HG       GLN  10   2.295  -3.880   6.977
   66   2HG   GLN  10          2HG       GLN  10   2.355  -2.510   5.886
   67   2HE2  GLN  10          2HE2      GLN  10   1.192  -5.851   5.491
   68   1HE2  GLN  10          1HE2      GLN  10  -0.433  -5.466   5.028
   69    H    CYS  11           H        CYS  11   3.801  -1.227   5.665
   70    HA   CYS  11           HA       CYS  11   4.354  -0.327   2.937
   71   1HB   CYS  11          1HB       CYS  11   2.745   1.378   4.743
   72   2HB   CYS  11          2HB       CYS  11   2.582   1.077   3.025
   73    H    ALA  12           H        ALA  12   6.556  -0.691   4.640
   74    HA   ALA  12           HA       ALA  12   7.089   1.967   5.744
   75   1HB   ALA  12          1HB       ALA  12   9.225   0.340   6.400
   76   2HB   ALA  12          2HB       ALA  12   7.802   0.633   7.429
   77   3HB   ALA  12          3HB       ALA  12   7.864  -0.807   6.384
   78    H    VAL  13           H        VAL  13   6.920   1.746   2.909
   79    HA   VAL  13           HA       VAL  13   9.679   1.534   2.014
   80    HB   VAL  13           HB       VAL  13   7.632   2.371   0.095
   81   1HG1  VAL  13          1HG1      VAL  13  10.018   0.717   0.246
   82   2HG1  VAL  13          2HG1      VAL  13   8.704  -0.116  -0.619
   83   3HG1  VAL  13          3HG1      VAL  13   9.253   1.487  -1.165
   84   1HG2  VAL  13          1HG2      VAL  13   7.221  -0.113   1.759
   85   2HG2  VAL  13          2HG2      VAL  13   6.039   1.127   1.275
   86   3HG2  VAL  13          3HG2      VAL  13   6.661  -0.028   0.072
   87    HA   PRO  14           HA       PRO  14  10.276   5.813   2.006
   88   1HB   PRO  14          1HB       PRO  14  12.151   6.119   0.042
   89   2HB   PRO  14          2HB       PRO  14  12.540   5.577   1.662
   90   1HG   PRO  14          1HG       PRO  14  12.380   3.998  -0.831
   91   2HG   PRO  14          2HG       PRO  14  13.163   3.585   0.681
   92   1HD   PRO  14          1HD       PRO  14  10.654   2.583  -0.282
   93   2HD   PRO  14          2HD       PRO  14  11.381   2.261   1.279
   94    H    ALA  15           H        ALA  15  10.243   4.787  -1.382
   95    HA   ALA  15           HA       ALA  15   7.884   5.748  -2.154
   96   1HB   ALA  15          1HB       ALA  15   9.639   7.982  -1.381
   97   2HB   ALA  15          2HB       ALA  15   7.881   7.955  -1.658
   98   3HB   ALA  15          3HB       ALA  15   8.996   8.133  -3.034
   99    H    LYS  16           H        LYS  16  11.347   5.416  -2.664
  100    HA   LYS  16           HA       LYS  16  10.991   5.381  -5.552
  101   1HB   LYS  16          1HB       LYS  16  13.404   5.339  -5.660
  102   2HB   LYS  16          2HB       LYS  16  12.888   6.623  -4.586
  103   1HG   LYS  16          1HG       LYS  16  14.542   5.649  -3.269
  104   2HG   LYS  16          2HG       LYS  16  13.146   4.754  -2.702
  105   1HD   LYS  16          1HD       LYS  16  13.676   2.848  -4.100
  106   2HD   LYS  16          2HD       LYS  16  14.864   3.757  -5.013
  107   1HE   LYS  16          1HE       LYS  16  15.803   4.041  -2.405
  108   2HE   LYS  16          2HE       LYS  16  15.131   2.422  -2.374
  109   1HZ   LYS  16          1HZ       LYS  16  16.635   2.940  -4.727
  110   2HZ   LYS  16          2HZ       LYS  16  17.532   3.095  -3.371
  111   3HZ   LYS  16          3HZ       LYS  16  16.748   1.696  -3.676
  112    H    ASP  17           H        ASP  17  10.353   3.315  -3.063
  113    HA   ASP  17           HA       ASP  17  11.258   1.029  -4.632
  114   1HB   ASP  17          1HB       ASP  17  11.393   1.640  -1.776
  115   2HB   ASP  17          2HB       ASP  17  10.474   0.170  -2.028
  116    H    ARG  18           H        ARG  18   8.693   2.919  -4.433
  117    HA   ARG  18           HA       ARG  18   6.687   1.171  -3.496
  118   1HB   ARG  18          1HB       ARG  18   6.293   3.580  -5.330
  119   2HB   ARG  18          2HB       ARG  18   5.133   2.905  -4.204
  120   1HG   ARG  18          1HG       ARG  18   7.776   4.230  -3.431
  121   2HG   ARG  18          2HG       ARG  18   6.196   4.978  -3.309
  122   1HD   ARG  18          1HD       ARG  18   5.520   3.000  -1.785
  123   2HD   ARG  18          2HD       ARG  18   7.216   2.560  -1.753
  124    HE   ARG  18           HE       ARG  18   7.551   4.274  -0.215
  125   1HH1  ARG  18          1HH1      ARG  18   4.745   5.083  -2.178
  126   2HH1  ARG  18          2HH1      ARG  18   4.402   6.544  -1.313
  127   1HH2  ARG  18          1HH2      ARG  18   7.099   6.201   0.927
  128   2HH2  ARG  18          2HH2      ARG  18   5.750   7.184   0.465
  129    H    VAL  19           H        VAL  19   6.056  -0.648  -4.617
  130    HA   VAL  19           HA       VAL  19   6.671  -0.934  -7.382
  131    HB   VAL  19           HB       VAL  19   4.810  -2.707  -5.834
  132   1HG1  VAL  19          1HG1      VAL  19   6.969  -3.208  -7.910
  133   2HG1  VAL  19          2HG1      VAL  19   6.010  -4.474  -7.106
  134   3HG1  VAL  19          3HG1      VAL  19   5.208  -3.282  -8.158
  135   1HG2  VAL  19          1HG2      VAL  19   7.583  -2.034  -5.117
  136   2HG2  VAL  19          2HG2      VAL  19   6.315  -2.847  -4.169
  137   3HG2  VAL  19          3HG2      VAL  19   7.295  -3.778  -5.326
  138    H    ASP  20           H        ASP  20   4.170   0.627  -5.632
  139    HA   ASP  20           HA       ASP  20   2.297   1.547  -6.214
  140   1HB   ASP  20          1HB       ASP  20   3.314   2.569  -8.112
  141   2HB   ASP  20          2HB       ASP  20   3.472   1.046  -8.964
  142    H    CYS  21           H        CYS  21   0.351   0.484  -5.816
  143    HA   CYS  21           HA       CYS  21   0.011  -2.181  -6.819
  144   1HB   CYS  21          1HB       CYS  21  -0.724  -0.942  -4.511
  145   2HB   CYS  21          2HB       CYS  21  -2.227  -0.867  -5.409
  146    H    GLY  22           H        GLY  22  -0.612   1.041  -7.851
  147   1HA   GLY  22          1HA       GLY  22  -1.810   0.333 -10.251
  148   2HA   GLY  22          2HA       GLY  22  -1.817   1.929  -9.526
  149    H    TYR  23           H        TYR  23  -3.522   2.419  -7.855
  150    HA   TYR  23           HA       TYR  23  -6.011   1.144  -8.670
  151   1HB   TYR  23          1HB       TYR  23  -4.632   0.392  -6.366
  152   2HB   TYR  23          2HB       TYR  23  -5.563   1.739  -5.741
  153    HD1  TYR  23           HD1      TYR  23  -6.610  -0.734  -8.339
  154    HD2  TYR  23           HD2      TYR  23  -7.125   0.678  -4.333
  155    HE1  TYR  23           HE1      TYR  23  -8.626  -2.256  -8.054
  156    HE2  TYR  23           HE2      TYR  23  -9.140  -0.848  -4.062
  157    HH   TYR  23           HH       TYR  23 -10.327  -2.769  -6.791
  158    HA   PRO  24           HA       PRO  24  -7.351   5.250  -8.374
  159   1HB   PRO  24          1HB       PRO  24 -10.061   4.897  -8.399
  160   2HB   PRO  24          2HB       PRO  24  -9.077   4.864  -9.849
  161   1HG   PRO  24          1HG       PRO  24 -10.316   2.606  -8.397
  162   2HG   PRO  24          2HG       PRO  24  -9.705   2.653 -10.039
  163   1HD   PRO  24          1HD       PRO  24  -8.421   1.469  -7.764
  164   2HD   PRO  24          2HD       PRO  24  -7.761   1.618  -9.380
  165    H    HIS  25           H        HIS  25 -10.066   3.938  -6.638
  166    HA   HIS  25           HA       HIS  25  -9.878   5.853  -4.652
  167   1HB   HIS  25          1HB       HIS  25 -11.461   4.329  -3.413
  168   2HB   HIS  25          2HB       HIS  25 -11.961   4.823  -5.018
  169    HD1  HIS  25           HD1      HIS  25 -13.526   2.697  -5.116
  170    HD2  HIS  25           HD2      HIS  25  -9.421   1.865  -4.878
  171    HE1  HIS  25           HE1      HIS  25 -13.260   0.231  -5.717
  172    HE2  HIS  25           HE2      HIS  25 -10.712  -0.207  -5.607
  173    H    VAL  26           H        VAL  26  -7.663   5.944  -3.950
  174    HA   VAL  26           HA       VAL  26  -6.891   3.637  -2.300
  175    HB   VAL  26           HB       VAL  26  -4.579   4.420  -2.636
  176   1HG1  VAL  26          1HG1      VAL  26  -6.323   3.558  -4.914
  177   2HG1  VAL  26          2HG1      VAL  26  -4.624   3.971  -5.249
  178   3HG1  VAL  26          3HG1      VAL  26  -5.014   2.686  -4.081
  179   1HG2  VAL  26          1HG2      VAL  26  -5.853   6.411  -4.541
  180   2HG2  VAL  26          2HG2      VAL  26  -4.954   6.779  -3.050
  181   3HG2  VAL  26          3HG2      VAL  26  -4.110   6.063  -4.444
  182    H    THR  27           H        THR  27  -7.041   3.969  -0.147
  183    HA   THR  27           HA       THR  27  -6.476   6.660   0.856
  184    HB   THR  27           HB       THR  27  -8.565   6.861   1.922
  185    HG1  THR  27           HG1      THR  27  -9.285   5.019   2.925
  186   1HG2  THR  27          1HG2      THR  27  -8.877   6.492  -0.677
  187   2HG2  THR  27          2HG2      THR  27  -9.503   4.896  -0.201
  188   3HG2  THR  27          3HG2      THR  27 -10.308   6.376   0.375
  189    HA   PRO  28           HA       PRO  28  -4.503   4.600   4.067
  190   1HB   PRO  28          1HB       PRO  28  -5.114   6.005   6.330
  191   2HB   PRO  28          2HB       PRO  28  -3.931   6.546   5.156
  192   1HG   PRO  28          1HG       PRO  28  -6.676   7.541   5.615
  193   2HG   PRO  28          2HG       PRO  28  -5.354   8.320   4.769
  194   1HD   PRO  28          1HD       PRO  28  -7.621   7.020   3.585
  195   2HD   PRO  28          2HD       PRO  28  -6.241   7.696   2.742
  196    H    LYS  29           H        LYS  29  -6.927   3.360   3.295
  197    HA   LYS  29           HA       LYS  29  -7.138   1.546   5.402
  198   1HB   LYS  29          1HB       LYS  29  -8.372   3.686   6.291
  199   2HB   LYS  29          2HB       LYS  29  -9.666   3.165   5.230
  200   1HG   LYS  29          1HG       LYS  29  -8.497   0.981   6.881
  201   2HG   LYS  29          2HG       LYS  29  -9.270   2.247   7.815
  202   1HD   LYS  29          1HD       LYS  29 -11.388   1.881   6.817
  203   2HD   LYS  29          2HD       LYS  29 -10.703   1.111   5.400
  204   1HE   LYS  29          1HE       LYS  29 -10.291  -0.934   6.544
  205   2HE   LYS  29          2HE       LYS  29 -10.346  -0.177   8.123
  206   1HZ   LYS  29          1HZ       LYS  29 -12.710  -0.199   6.405
  207   2HZ   LYS  29          2HZ       LYS  29 -12.352  -1.481   7.351
  208   3HZ   LYS  29          3HZ       LYS  29 -12.632  -0.021   8.027
  209    H    GLU  30           H        GLU  30  -8.680   3.169   2.591
  210    HA   GLU  30           HA       GLU  30 -10.053   0.796   1.855
  211   1HB   GLU  30          1HB       GLU  30 -10.373   3.471   1.286
  212   2HB   GLU  30          2HB       GLU  30  -9.636   2.909  -0.201
  213   1HG   GLU  30          1HG       GLU  30 -11.575   0.935   0.485
  214   2HG   GLU  30          2HG       GLU  30 -12.352   2.479   0.777
  215    H    CYS  31           H        CYS  31  -7.006   2.465   0.966
  216    HA   CYS  31           HA       CYS  31  -6.490   0.771  -1.249
  217   1HB   CYS  31          1HB       CYS  31  -5.422   2.782  -1.467
  218   2HB   CYS  31          2HB       CYS  31  -5.017   2.895   0.234
  219    H    ASN  32           H        ASN  32  -6.042   0.685   2.257
  220    HA   ASN  32           HA       ASN  32  -4.169  -1.499   2.016
  221   1HB   ASN  32          1HB       ASN  32  -3.505  -0.937   4.154
  222   2HB   ASN  32          2HB       ASN  32  -4.349   0.565   3.833
  223   2HD2  ASN  32          2HD2      ASN  32  -3.890  -1.451   6.173
  224   1HD2  ASN  32          1HD2      ASN  32  -5.435  -1.544   6.951
  225    H    ASN  33           H        ASN  33  -7.436  -1.115   1.740
  226    HA   ASN  33           HA       ASN  33  -8.132  -3.334   3.465
  227   1HB   ASN  33          1HB       ASN  33  -9.719  -1.551   3.672
  228   2HB   ASN  33          2HB       ASN  33  -9.714  -1.222   1.950
  229   2HD2  ASN  33          2HD2      ASN  33 -11.675  -1.589   1.235
  230   1HD2  ASN  33          1HD2      ASN  33 -12.632  -3.009   1.494
  231    H    ARG  34           H        ARG  34  -8.204  -2.159   0.039
  232    HA   ARG  34           HA       ARG  34  -9.495  -4.278  -1.083
  233   1HB   ARG  34          1HB       ARG  34  -8.491  -1.980  -2.056
  234   2HB   ARG  34          2HB       ARG  34  -7.164  -3.015  -2.542
  235   1HG   ARG  34          1HG       ARG  34 -10.043  -3.067  -3.452
  236   2HG   ARG  34          2HG       ARG  34  -8.582  -3.127  -4.417
  237   1HD   ARG  34          1HD       ARG  34  -8.128  -5.441  -3.663
  238   2HD   ARG  34          2HD       ARG  34  -9.501  -5.388  -2.575
  239    HE   ARG  34           HE       ARG  34 -10.433  -4.746  -5.198
  240   1HH1  ARG  34          1HH1      ARG  34  -9.136  -7.487  -3.412
  241   2HH1  ARG  34          2HH1      ARG  34  -9.952  -8.668  -4.381
  242   1HH2  ARG  34          1HH2      ARG  34 -11.510  -6.304  -6.476
  243   2HH2  ARG  34          2HH2      ARG  34 -11.312  -7.991  -6.135
  244    H    GLY  35           H        GLY  35  -6.104  -3.909  -0.023
  245   1HA   GLY  35          1HA       GLY  35  -5.545  -6.660  -0.961
  246   2HA   GLY  35          2HA       GLY  35  -5.137  -6.104   0.650
  247    H    CYS  36           H        CYS  36  -3.733  -4.018   0.747
  248    HA   CYS  36           HA       CYS  36  -1.366  -4.515  -0.584
  249   1HB   CYS  36          1HB       CYS  36  -3.177  -3.200  -2.284
  250   2HB   CYS  36          2HB       CYS  36  -2.070  -1.956  -1.737
  251    H    CYS  37           H        CYS  37  -0.497  -1.679  -0.711
  252    HA   CYS  37           HA       CYS  37  -0.909  -0.953   2.099
  253   1HB   CYS  37          1HB       CYS  37   1.599  -1.236   0.516
  254   2HB   CYS  37          2HB       CYS  37   1.509   0.095   1.653
  255    H    PHE  38           H        PHE  38  -0.960   1.374   2.507
  256    HA   PHE  38           HA       PHE  38  -1.415   2.921   0.053
  257   1HB   PHE  38          1HB       PHE  38  -3.467   2.568   1.398
  258   2HB   PHE  38          2HB       PHE  38  -2.619   2.967   2.879
  259    HD1  PHE  38           HD1      PHE  38  -3.946   4.379  -0.265
  260    HD2  PHE  38           HD2      PHE  38  -2.398   5.220   3.595
  261    HE1  PHE  38           HE1      PHE  38  -4.666   6.772  -0.498
  262    HE2  PHE  38           HE2      PHE  38  -3.117   7.613   3.363
  263    HZ   PHE  38           HZ       PHE  38  -4.243   8.361   1.319
  264    H    ASP  39           H        ASP  39  -1.247   5.431   0.623
  265    HA   ASP  39           HA       ASP  39   0.412   6.221   2.675
  266   1HB   ASP  39          1HB       ASP  39   2.207   4.991   1.563
  267   2HB   ASP  39          2HB       ASP  39   1.801   5.695   0.011
  268    H    SER  40           H        SER  40   0.588   8.567   2.623
  269    HA   SER  40           HA       SER  40  -0.345   9.809   0.169
  270   1HB   SER  40          1HB       SER  40  -1.845  11.302   1.442
  271   2HB   SER  40          2HB       SER  40  -2.309   9.624   1.652
  272    HG   SER  40           HG       SER  40  -2.171  11.066   3.640
  273    H    ARG  41           H        ARG  41   2.232   9.403   1.941
  274    HA   ARG  41           HA       ARG  41   2.883  11.809   3.080
  275   1HB   ARG  41          1HB       ARG  41   4.106   9.394   2.903
  276   2HB   ARG  41          2HB       ARG  41   5.037  10.231   1.677
  277   1HG   ARG  41          1HG       ARG  41   5.274  12.129   3.502
  278   2HG   ARG  41          2HG       ARG  41   4.800  10.877   4.633
  279   1HD   ARG  41          1HD       ARG  41   7.061  10.444   4.687
  280   2HD   ARG  41          2HD       ARG  41   6.712   9.505   3.250
  281    HE   ARG  41           HE       ARG  41   7.141  12.137   2.346
  282   1HH1  ARG  41          1HH1      ARG  41   8.987   9.676   4.053
  283   2HH1  ARG  41          2HH1      ARG  41  10.516  10.223   3.450
  284   1HH2  ARG  41          1HH2      ARG  41   9.158  12.860   1.550
  285   2HH2  ARG  41          2HH2      ARG  41  10.614  12.046   2.017
  286    H    ILE  42           H        ILE  42   3.306  10.581  -0.292
  287    HA   ILE  42           HA       ILE  42   3.486  13.315  -1.211
  288    HB   ILE  42           HB       ILE  42   5.524  12.252  -2.663
  289   1HG1  ILE  42          1HG1      ILE  42   7.117  11.253  -1.052
  290   2HG1  ILE  42          2HG1      ILE  42   5.858  11.211   0.166
  291   1HG2  ILE  42          1HG2      ILE  42   5.171  14.226  -0.555
  292   2HG2  ILE  42          2HG2      ILE  42   6.808  13.529  -0.555
  293   3HG2  ILE  42          3HG2      ILE  42   6.164  14.287  -2.031
  294   1HD1  ILE  42          1HD1      ILE  42   5.135   9.988  -2.464
  295   2HD1  ILE  42          2HD1      ILE  42   6.377   9.133  -1.518
  296   3HD1  ILE  42          3HD1      ILE  42   4.771   9.433  -0.812
  297    HA   PRO  43           HA       PRO  43   1.096  11.362  -4.252
  298   1HB   PRO  43          1HB       PRO  43   0.714  13.496  -5.916
  299   2HB   PRO  43          2HB       PRO  43  -0.248  13.218  -4.478
  300   1HG   PRO  43          1HG       PRO  43   1.908  15.194  -4.912
  301   2HG   PRO  43          2HG       PRO  43   0.669  15.175  -3.672
  302   1HD   PRO  43          1HD       PRO  43   3.427  14.456  -3.353
  303   2HD   PRO  43          2HD       PRO  43   2.164  14.327  -2.146
  304    H    GLY  44           H        GLY  44   3.969  13.132  -5.096
  305   1HA   GLY  44          1HA       GLY  44   5.622  12.557  -6.523
  306   2HA   GLY  44          2HA       GLY  44   4.332  12.521  -7.708
  307    H    VAL  45           H        VAL  45   4.472  10.288  -4.913
  308    HA   VAL  45           HA       VAL  45   5.348   8.156  -6.718
  309    HB   VAL  45           HB       VAL  45   6.260   7.112  -4.921
  310   1HG1  VAL  45          1HG1      VAL  45   6.213  10.045  -4.161
  311   2HG1  VAL  45          2HG1      VAL  45   7.202   8.834  -3.309
  312   3HG1  VAL  45          3HG1      VAL  45   7.479   9.152  -5.039
  313   1HG2  VAL  45          1HG2      VAL  45   4.017   8.332  -3.324
  314   2HG2  VAL  45          2HG2      VAL  45   4.457   6.620  -3.536
  315   3HG2  VAL  45          3HG2      VAL  45   5.453   7.674  -2.504
  316    HA   PRO  46           HA       PRO  46   1.497   6.199  -6.509
  317   1HB   PRO  46          1HB       PRO  46   2.043   3.545  -6.154
  318   2HB   PRO  46          2HB       PRO  46   2.206   4.359  -7.698
  319   1HG   PRO  46          1HG       PRO  46   4.324   3.494  -5.825
  320   2HG   PRO  46          2HG       PRO  46   4.461   3.909  -7.522
  321   1HD   PRO  46          1HD       PRO  46   5.224   5.540  -5.289
  322   2HD   PRO  46          2HD       PRO  46   5.253   5.999  -6.980
  323    H    TRP  47           H        TRP  47   0.636   7.326  -4.718
  324    HA   TRP  47           HA       TRP  47   0.956   6.974  -2.155
  325   1HB   TRP  47          1HB       TRP  47  -1.518   7.249  -3.785
  326   2HB   TRP  47          2HB       TRP  47  -1.711   6.878  -2.083
  327    HD1  TRP  47           HD1      TRP  47   1.154   9.199  -3.214
  328    HE1  TRP  47           HE1      TRP  47   0.797  11.659  -2.329
  329    HE3  TRP  47           HE3      TRP  47  -3.528   8.423  -1.390
  330    HZ2  TRP  47           HZ2      TRP  47  -1.356  12.975  -0.995
  331    HZ3  TRP  47           HZ3      TRP  47  -4.688  10.348  -0.311
  332    HH2  TRP  47           HH2      TRP  47  -3.677  12.563  -0.099
  333    H    CYS  48           H        CYS  48  -1.072   4.690  -4.140
  334    HA   CYS  48           HA       CYS  48  -0.925   2.781  -1.966
  335   1HB   CYS  48          1HB       CYS  48  -3.045   3.362  -3.295
  336   2HB   CYS  48          2HB       CYS  48  -2.356   2.405  -4.592
  337    H    PHE  49           H        PHE  49   0.825   1.414  -1.926
  338    HA   PHE  49           HA       PHE  49   1.777   0.408  -4.502
  339   1HB   PHE  49          1HB       PHE  49   4.118   0.614  -3.354
  340   2HB   PHE  49          2HB       PHE  49   3.388   2.115  -3.887
  341    HD1  PHE  49           HD1      PHE  49   3.567  -0.061  -0.860
  342    HD2  PHE  49           HD2      PHE  49   3.274   3.882  -2.401
  343    HE1  PHE  49           HE1      PHE  49   3.766   0.862   1.465
  344    HE2  PHE  49           HE2      PHE  49   3.472   4.805  -0.075
  345    HZ   PHE  49           HZ       PHE  49   3.716   3.285   1.830
  346    H    LYS  50           H        LYS  50   3.203  -1.589  -4.198
  347    HA   LYS  50           HA       LYS  50   1.823  -3.432  -2.595
  348   1HB   LYS  50          1HB       LYS  50   4.449  -3.599  -4.096
  349   2HB   LYS  50          2HB       LYS  50   3.703  -4.966  -3.292
  350   1HG   LYS  50          1HG       LYS  50   1.548  -4.113  -4.703
  351   2HG   LYS  50          2HG       LYS  50   2.805  -3.483  -5.749
  352   1HD   LYS  50          1HD       LYS  50   3.678  -6.096  -5.121
  353   2HD   LYS  50          2HD       LYS  50   1.948  -6.265  -5.339
  354   1HE   LYS  50          1HE       LYS  50   2.849  -4.544  -7.441
  355   2HE   LYS  50          2HE       LYS  50   4.007  -5.857  -7.356
  356   1HZ   LYS  50          1HZ       LYS  50   1.714  -7.166  -7.134
  357   2HZ   LYS  50          2HZ       LYS  50   1.239  -5.929  -8.089
  358   3HZ   LYS  50          3HZ       LYS  50   2.467  -6.897  -8.558
  359    HA   PRO  51           HA       PRO  51   3.964  -3.245   1.146
  360   1HB   PRO  51          1HB       PRO  51   3.998  -5.841   2.002
  361   2HB   PRO  51          2HB       PRO  51   2.589  -4.806   2.134
  362   1HG   PRO  51          1HG       PRO  51   3.097  -7.012   0.233
  363   2HG   PRO  51          2HG       PRO  51   1.573  -6.263   0.662
  364   1HD   PRO  51          1HD       PRO  51   3.080  -5.833  -1.740
  365   2HD   PRO  51          2HD       PRO  51   1.617  -4.999  -1.258
  366    H    LEU  52           H        LEU  52   5.989  -2.726   1.662
  367    HA   LEU  52           HA       LEU  52   8.110  -3.237   0.156
  368   1HB   LEU  52          1HB       LEU  52   8.369  -1.763   1.929
  369   2HB   LEU  52          2HB       LEU  52   7.826  -2.926   3.122
  370    HG   LEU  52           HG       LEU  52  10.433  -3.216   1.613
  371   1HD1  LEU  52          1HD1      LEU  52  10.159  -1.076   3.043
  372   2HD1  LEU  52          2HD1      LEU  52  10.253  -2.184   4.434
  373   3HD1  LEU  52          3HD1      LEU  52  11.602  -2.092   3.275
  374   1HD2  LEU  52          1HD2      LEU  52   8.977  -4.924   3.384
  375   2HD2  LEU  52          2HD2      LEU  52  10.548  -5.199   2.593
  376   3HD2  LEU  52          3HD2      LEU  52  10.480  -4.412   4.188
  377    H    GLN  53           H        GLN  53   9.509  -4.882  -0.369
  378    HA   GLN  53           HA       GLN  53   8.621  -7.479   0.100
  379   1HB   GLN  53          1HB       GLN  53  10.910  -6.163  -1.276
  380   2HB   GLN  53          2HB       GLN  53  11.225  -7.803  -0.742
  381   1HG   GLN  53          1HG       GLN  53  10.141  -8.509  -2.609
  382   2HG   GLN  53          2HG       GLN  53   8.653  -7.982  -1.847
  383   2HE2  GLN  53          2HE2      GLN  53   8.524  -5.410  -1.895
  384   1HE2  GLN  53          1HE2      GLN  53   8.673  -4.716  -3.475
  385    H    GLU  54           H        GLU  54   8.453  -7.370   2.523
  386    HA   GLU  54           HA       GLU  54  10.447  -6.927   4.243
  387   1HB   GLU  54          1HB       GLU  54   9.191  -8.129   5.829
  388   2HB   GLU  54          2HB       GLU  54   7.988  -7.693   4.633
  389   1HG   GLU  54          1HG       GLU  54   7.538  -9.975   4.915
  390   2HG   GLU  54          2HG       GLU  54   8.602 -10.011   3.523
  391    H    ALA  55           H        ALA  55  12.486  -7.713   4.544
  392    HA   ALA  55           HA       ALA  55  12.961 -10.538   4.093
  393   1HB   ALA  55          1HB       ALA  55  14.331 -10.336   2.286
  394   2HB   ALA  55          2HB       ALA  55  14.986  -8.773   2.830
  395   3HB   ALA  55          3HB       ALA  55  13.414  -8.838   1.998
  396    H    GLU  56           H        GLU  56  15.183 -11.154   4.929
  397    HA   GLU  56           HA       GLU  56  16.201  -9.180   6.791
  398   1HB   GLU  56          1HB       GLU  56  16.315 -10.925   8.593
  399   2HB   GLU  56          2HB       GLU  56  14.676 -10.486   8.157
  400   1HG   GLU  56          1HG       GLU  56  14.197 -12.612   7.521
  401   2HG   GLU  56          2HG       GLU  56  15.580 -12.662   6.446
  402    H    CYS  57           H        CYS  57  18.448  -9.566   7.435
  403    HA   CYS  57           HA       CYS  57  20.499 -10.355   7.221
  404   1HB   CYS  57          1HB       CYS  57  19.241 -12.652   7.100
  405   2HB   CYS  57          2HB       CYS  57  19.684 -12.597   5.406
  406    H    THR  58           H        THR  58  18.864 -11.230   4.080
  407    HA   THR  58           HA       THR  58  20.777 -10.517   2.331
  408    HB   THR  58           HB       THR  58  18.883 -10.132   0.758
  409    HG1  THR  58           HG1      THR  58  17.541  -9.972   3.362
  410   1HG2  THR  58          1HG2      THR  58  19.255 -12.483   2.110
  411   2HG2  THR  58          2HG2      THR  58  17.613 -12.075   2.663
  412   3HG2  THR  58          3HG2      THR  58  17.948 -12.254   0.924
  413    H    PHE  59           H        PHE  59  18.813  -8.297   4.296
  414    HA   PHE  59           HA       PHE  59  20.076  -6.060   2.901
  415   1HB   PHE  59          1HB       PHE  59  17.596  -6.613   4.540
  416   2HB   PHE  59          2HB       PHE  59  18.288  -5.016   4.737
  417    HD1  PHE  59           HD1      PHE  59  17.976  -7.169   1.704
  418    HD2  PHE  59           HD2      PHE  59  16.904  -3.538   3.621
  419    HE1  PHE  59           HE1      PHE  59  16.815  -6.408  -0.387
  420    HE2  PHE  59           HE2      PHE  59  15.743  -2.776   1.530
  421    HZ   PHE  59           HZ       PHE  59  15.712  -4.220  -0.449

  No H/Q in entry =         421
  Start of MODEL   18
    1    H    GLU   1           H        GLU   1  10.852 -16.496  13.901
    2    HA   GLU   1           HA       GLU   1  10.981 -16.478  16.805
    3   1HB   GLU   1          1HB       GLU   1  12.741 -15.198  15.634
    4   2HB   GLU   1          2HB       GLU   1  11.529 -14.271  14.771
    5   1HG   GLU   1          1HG       GLU   1  10.625 -13.575  17.105
    6   2HG   GLU   1          2HG       GLU   1  12.106 -14.242  17.762
    7    H    GLU   2           H        GLU   2   9.529 -14.319  14.259
    8    HA   GLU   2           HA       GLU   2   6.922 -14.822  14.875
    9   1HB   GLU   2          1HB       GLU   2   8.015 -13.567  17.070
   10   2HB   GLU   2          2HB       GLU   2   7.413 -12.188  16.171
   11   1HG   GLU   2          1HG       GLU   2   5.202 -12.779  16.465
   12   2HG   GLU   2          2HG       GLU   2   5.527 -14.494  16.313
   13    H    TYR   3           H        TYR   3   5.533 -12.588  14.314
   14    HA   TYR   3           HA       TYR   3   6.985 -11.192  12.189
   15   1HB   TYR   3          1HB       TYR   3   5.210 -11.777  10.633
   16   2HB   TYR   3          2HB       TYR   3   5.552 -13.277  11.472
   17    HD1  TYR   3           HD1      TYR   3   3.992 -14.126  13.215
   18    HD2  TYR   3           HD2      TYR   3   3.094 -10.642  10.900
   19    HE1  TYR   3           HE1      TYR   3   1.550 -14.291  13.902
   20    HE2  TYR   3           HE2      TYR   3   0.654 -10.818  11.594
   21    HH   TYR   3           HH       TYR   3  -0.378 -12.515  14.129
   22    H    VAL   4           H        VAL   4   5.727  -9.240  11.393
   23    HA   VAL   4           HA       VAL   4   3.591  -8.283  12.997
   24    HB   VAL   4           HB       VAL   4   5.288  -7.940  14.642
   25   1HG1  VAL   4          1HG1      VAL   4   7.146  -7.928  12.787
   26   2HG1  VAL   4          2HG1      VAL   4   6.907  -6.165  12.835
   27   3HG1  VAL   4          3HG1      VAL   4   7.394  -7.037  14.308
   28   1HG2  VAL   4          1HG2      VAL   4   4.136  -5.588  13.230
   29   2HG2  VAL   4          2HG2      VAL   4   3.938  -6.130  14.914
   30   3HG2  VAL   4          3HG2      VAL   4   5.411  -5.256  14.427
   31    H    GLY   5           H        GLY   5   2.419  -7.598  11.264
   32   1HA   GLY   5          1HA       GLY   5   3.299  -6.838   8.805
   33   2HA   GLY   5          2HA       GLY   5   3.407  -5.364   9.746
   34    H    LEU   6           H        LEU   6   1.539  -4.215  10.299
   35    HA   LEU   6           HA       LEU   6  -0.965  -5.439   9.369
   36   1HB   LEU   6          1HB       LEU   6  -1.427  -3.393  11.312
   37   2HB   LEU   6          2HB       LEU   6  -1.915  -5.076  11.321
   38    HG   LEU   6           HG       LEU   6  -0.690  -4.628  13.324
   39   1HD1  LEU   6          1HD1      LEU   6  -0.005  -6.641  11.516
   40   2HD1  LEU   6          2HD1      LEU   6   1.551  -6.023  12.121
   41   3HD1  LEU   6          3HD1      LEU   6   0.319  -6.607  13.266
   42   1HD2  LEU   6          1HD2      LEU   6   0.763  -2.817  11.768
   43   2HD2  LEU   6          2HD2      LEU   6   0.992  -3.187  13.494
   44   3HD2  LEU   6          3HD2      LEU   6   1.945  -4.052  12.265
   45    H    SER   7           H        SER   7   1.018  -2.463   9.774
   46    HA   SER   7           HA       SER   7   0.401  -1.514   7.286
   47   1HB   SER   7          1HB       SER   7  -1.019   0.547   8.177
   48   2HB   SER   7          2HB       SER   7  -1.810  -0.943   7.701
   49    HG   SER   7           HG       SER   7  -1.073  -1.180  10.313
   50    H    ALA   8           H        ALA   8   2.705  -1.171   7.522
   51    HA   ALA   8           HA       ALA   8   3.548   1.334   8.034
   52   1HB   ALA   8          1HB       ALA   8   3.156  -0.187  10.544
   53   2HB   ALA   8          2HB       ALA   8   4.758   0.572  10.382
   54   3HB   ALA   8          3HB       ALA   8   3.287   1.568  10.278
   55    H    ASN   9           H        ASN   9   4.934  -1.654   9.546
   56    HA   ASN   9           HA       ASN   9   7.404  -1.351   8.496
   57   1HB   ASN   9          1HB       ASN   9   6.086  -3.266  10.043
   58   2HB   ASN   9          2HB       ASN   9   6.488  -4.185   8.607
   59   2HD2  ASN   9          2HD2      ASN   9   8.264  -5.287   8.860
   60   1HD2  ASN   9          1HD2      ASN   9   9.721  -4.776   9.644
   61    H    GLN  10           H        GLN  10   4.645  -3.376   7.240
   62    HA   GLN  10           HA       GLN  10   5.991  -4.222   4.962
   63   1HB   GLN  10          1HB       GLN  10   3.723  -4.892   4.162
   64   2HB   GLN  10          2HB       GLN  10   4.028  -5.401   5.811
   65   1HG   GLN  10          1HG       GLN  10   2.898  -2.739   5.888
   66   2HG   GLN  10          2HG       GLN  10   1.903  -3.722   4.831
   67   2HE2  GLN  10          2HE2      GLN  10   0.943  -5.624   5.605
   68   1HE2  GLN  10          1HE2      GLN  10   0.665  -5.902   7.292
   69    H    CYS  11           H        CYS  11   4.268  -1.245   5.776
   70    HA   CYS  11           HA       CYS  11   4.539  -0.405   2.982
   71   1HB   CYS  11          1HB       CYS  11   2.821   1.172   4.805
   72   2HB   CYS  11          2HB       CYS  11   2.625   0.797   3.104
   73    H    ALA  12           H        ALA  12   6.851  -0.449   4.525
   74    HA   ALA  12           HA       ALA  12   7.138   2.346   5.393
   75   1HB   ALA  12          1HB       ALA  12   9.198   1.295   6.601
   76   2HB   ALA  12          2HB       ALA  12   7.577   1.011   7.277
   77   3HB   ALA  12          3HB       ALA  12   8.374  -0.256   6.315
   78    H    VAL  13           H        VAL  13   7.131   1.922   2.665
   79    HA   VAL  13           HA       VAL  13   9.856   1.458   1.822
   80    HB   VAL  13           HB       VAL  13   7.844   2.504  -0.070
   81   1HG1  VAL  13          1HG1      VAL  13  10.119   0.631  -0.006
   82   2HG1  VAL  13          2HG1      VAL  13   8.755   0.094  -1.016
   83   3HG1  VAL  13          3HG1      VAL  13   9.522   1.671  -1.321
   84   1HG2  VAL  13          1HG2      VAL  13   7.370   0.031   1.575
   85   2HG2  VAL  13          2HG2      VAL  13   6.217   1.274   1.032
   86   3HG2  VAL  13          3HG2      VAL  13   6.849   0.080  -0.127
   87    HA   PRO  14           HA       PRO  14  10.957   5.638   1.832
   88   1HB   PRO  14          1HB       PRO  14  13.011   5.646   0.029
   89   2HB   PRO  14          2HB       PRO  14  13.197   5.121   1.690
   90   1HG   PRO  14          1HG       PRO  14  13.051   3.482  -0.765
   91   2HG   PRO  14          2HG       PRO  14  13.651   3.034   0.819
   92   1HD   PRO  14          1HD       PRO  14  11.126   2.304  -0.329
   93   2HD   PRO  14          2HD       PRO  14  11.678   1.955   1.297
   94    H    ALA  15           H        ALA  15   9.248   4.284  -0.556
   95    HA   ALA  15           HA       ALA  15   7.798   5.358  -1.915
   96   1HB   ALA  15          1HB       ALA  15   9.374   7.887  -2.110
   97   2HB   ALA  15          2HB       ALA  15   7.618   7.643  -1.960
   98   3HB   ALA  15          3HB       ALA  15   8.661   7.508  -0.524
   99    H    LYS  16           H        LYS  16  11.307   5.353  -2.186
  100    HA   LYS  16           HA       LYS  16  11.169   5.556  -5.081
  101   1HB   LYS  16          1HB       LYS  16  13.601   5.611  -4.977
  102   2HB   LYS  16          2HB       LYS  16  12.906   6.808  -3.903
  103   1HG   LYS  16          1HG       LYS  16  14.318   5.905  -2.343
  104   2HG   LYS  16          2HG       LYS  16  13.082   4.673  -2.185
  105   1HD   LYS  16          1HD       LYS  16  15.258   3.590  -2.510
  106   2HD   LYS  16          2HD       LYS  16  14.248   3.281  -3.908
  107   1HE   LYS  16          1HE       LYS  16  15.700   4.345  -5.300
  108   2HE   LYS  16          2HE       LYS  16  15.740   5.769  -4.279
  109   1HZ   LYS  16          1HZ       LYS  16  17.322   4.614  -2.863
  110   2HZ   LYS  16          2HZ       LYS  16  17.311   3.321  -3.860
  111   3HZ   LYS  16          3HZ       LYS  16  17.884   4.755  -4.390
  112    H    ASP  17           H        ASP  17  10.138   3.258  -3.177
  113    HA   ASP  17           HA       ASP  17  11.332   1.191  -4.832
  114   1HB   ASP  17          1HB       ASP  17  11.643   1.486  -1.988
  115   2HB   ASP  17          2HB       ASP  17  10.581   0.115  -2.244
  116    H    ARG  18           H        ARG  18   8.706   2.907  -4.492
  117    HA   ARG  18           HA       ARG  18   6.773   1.025  -3.667
  118   1HB   ARG  18          1HB       ARG  18   6.290   3.527  -5.351
  119   2HB   ARG  18          2HB       ARG  18   5.148   2.734  -4.285
  120   1HG   ARG  18          1HG       ARG  18   7.752   4.023  -3.341
  121   2HG   ARG  18          2HG       ARG  18   6.194   4.825  -3.306
  122   1HD   ARG  18          1HD       ARG  18   5.391   2.715  -1.943
  123   2HD   ARG  18          2HD       ARG  18   7.099   2.407  -1.703
  124    HE   ARG  18           HE       ARG  18   7.100   4.112  -0.120
  125   1HH1  ARG  18          1HH1      ARG  18   4.523   4.751  -2.430
  126   2HH1  ARG  18          2HH1      ARG  18   3.966   6.171  -1.610
  127   1HH2  ARG  18          1HH2      ARG  18   6.365   5.986   0.962
  128   2HH2  ARG  18          2HH2      ARG  18   5.021   6.878   0.332
  129    H    VAL  19           H        VAL  19   6.011  -0.671  -4.890
  130    HA   VAL  19           HA       VAL  19   6.678  -0.766  -7.688
  131    HB   VAL  19           HB       VAL  19   5.232  -2.675  -5.841
  132   1HG1  VAL  19          1HG1      VAL  19   5.728  -2.728  -8.763
  133   2HG1  VAL  19          2HG1      VAL  19   6.132  -4.223  -7.884
  134   3HG1  VAL  19          3HG1      VAL  19   4.486  -3.553  -7.790
  135   1HG2  VAL  19          1HG2      VAL  19   7.859  -2.013  -5.746
  136   2HG2  VAL  19          2HG2      VAL  19   7.226  -3.625  -5.331
  137   3HG2  VAL  19          3HG2      VAL  19   7.907  -3.325  -6.949
  138    H    ASP  20           H        ASP  20   4.201   0.613  -5.821
  139    HA   ASP  20           HA       ASP  20   2.257   1.450  -6.287
  140   1HB   ASP  20          1HB       ASP  20   3.138   2.570  -8.196
  141   2HB   ASP  20          2HB       ASP  20   3.334   1.080  -9.096
  142    H    CYS  21           H        CYS  21   0.412   0.254  -5.795
  143    HA   CYS  21           HA       CYS  21   0.132  -2.376  -6.906
  144   1HB   CYS  21          1HB       CYS  21  -0.485  -1.311  -4.492
  145   2HB   CYS  21          2HB       CYS  21  -2.050  -1.220  -5.274
  146    H    GLY  22           H        GLY  22  -0.868   0.899  -7.573
  147   1HA   GLY  22          1HA       GLY  22  -2.196   0.186  -9.961
  148   2HA   GLY  22          2HA       GLY  22  -2.130   1.772  -9.218
  149    H    TYR  23           H        TYR  23  -3.800   2.467  -7.772
  150    HA   TYR  23           HA       TYR  23  -6.231   0.859  -8.023
  151   1HB   TYR  23          1HB       TYR  23  -4.681   1.811  -5.588
  152   2HB   TYR  23          2HB       TYR  23  -6.428   1.905  -5.483
  153    HD1  TYR  23           HD1      TYR  23  -7.696  -0.339  -6.219
  154    HD2  TYR  23           HD2      TYR  23  -3.642  -0.138  -4.867
  155    HE1  TYR  23           HE1      TYR  23  -7.783  -2.796  -5.568
  156    HE2  TYR  23           HE2      TYR  23  -3.743  -2.595  -4.221
  157    HH   TYR  23           HH       TYR  23  -5.680  -4.197  -3.539
  158    HA   PRO  24           HA       PRO  24  -7.940   4.755  -8.821
  159   1HB   PRO  24          1HB       PRO  24 -10.598   4.224  -8.471
  160   2HB   PRO  24          2HB       PRO  24  -9.725   3.820  -9.936
  161   1HG   PRO  24          1HG       PRO  24 -10.630   2.031  -7.764
  162   2HG   PRO  24          2HG       PRO  24 -10.149   1.618  -9.398
  163   1HD   PRO  24          1HD       PRO  24  -8.594   1.275  -7.012
  164   2HD   PRO  24          2HD       PRO  24  -8.071   0.971  -8.657
  165    H    HIS  25           H        HIS  25 -10.137   3.606  -6.323
  166    HA   HIS  25           HA       HIS  25  -9.746   6.137  -4.992
  167   1HB   HIS  25          1HB       HIS  25 -11.663   5.548  -3.686
  168   2HB   HIS  25          2HB       HIS  25 -12.009   5.213  -5.371
  169    HD1  HIS  25           HD1      HIS  25 -13.764   3.783  -3.421
  170    HD2  HIS  25           HD2      HIS  25 -10.077   2.209  -4.655
  171    HE1  HIS  25           HE1      HIS  25 -13.885   1.268  -3.004
  172    HE2  HIS  25           HE2      HIS  25 -11.612   0.349  -3.832
  173    H    VAL  26           H        VAL  26  -7.529   5.874  -4.302
  174    HA   VAL  26           HA       VAL  26  -7.061   3.706  -2.413
  175    HB   VAL  26           HB       VAL  26  -4.719   4.528  -2.525
  176   1HG1  VAL  26          1HG1      VAL  26  -6.054   3.838  -5.164
  177   2HG1  VAL  26          2HG1      VAL  26  -4.303   3.755  -4.853
  178   3HG1  VAL  26          3HG1      VAL  26  -5.418   2.698  -3.954
  179   1HG2  VAL  26          1HG2      VAL  26  -5.702   6.892  -3.356
  180   2HG2  VAL  26          2HG2      VAL  26  -4.042   6.353  -3.706
  181   3HG2  VAL  26          3HG2      VAL  26  -5.315   6.170  -4.936
  182    H    THR  27           H        THR  27  -6.844   4.005  -0.216
  183    HA   THR  27           HA       THR  27  -6.567   6.692   0.823
  184    HB   THR  27           HB       THR  27  -8.694   6.818   1.849
  185    HG1  THR  27           HG1      THR  27  -9.930   4.702   1.991
  186   1HG2  THR  27          1HG2      THR  27  -9.165   5.113  -0.653
  187   2HG2  THR  27          2HG2      THR  27 -10.443   5.976   0.235
  188   3HG2  THR  27          3HG2      THR  27  -9.156   6.892  -0.586
  189    HA   PRO  28           HA       PRO  28  -4.669   4.622   4.072
  190   1HB   PRO  28          1HB       PRO  28  -5.352   6.020   6.319
  191   2HB   PRO  28          2HB       PRO  28  -4.137   6.568   5.181
  192   1HG   PRO  28          1HG       PRO  28  -6.898   7.553   5.562
  193   2HG   PRO  28          2HG       PRO  28  -5.554   8.338   4.757
  194   1HD   PRO  28          1HD       PRO  28  -7.780   7.034   3.504
  195   2HD   PRO  28          2HD       PRO  28  -6.379   7.716   2.703
  196    H    LYS  29           H        LYS  29  -7.035   3.349   3.224
  197    HA   LYS  29           HA       LYS  29  -7.307   1.527   5.300
  198   1HB   LYS  29          1HB       LYS  29  -8.543   3.650   6.215
  199   2HB   LYS  29          2HB       LYS  29  -9.823   3.165   5.122
  200   1HG   LYS  29          1HG       LYS  29  -8.652   0.990   6.823
  201   2HG   LYS  29          2HG       LYS  29  -9.583   2.210   7.669
  202   1HD   LYS  29          1HD       LYS  29 -11.434   1.833   5.904
  203   2HD   LYS  29          2HD       LYS  29 -10.522   0.432   5.377
  204   1HE   LYS  29          1HE       LYS  29 -11.419   0.850   8.267
  205   2HE   LYS  29          2HE       LYS  29 -12.361  -0.045   7.091
  206   1HZ   LYS  29          1HZ       LYS  29 -10.229  -1.356   6.761
  207   2HZ   LYS  29          2HZ       LYS  29  -9.735  -0.711   8.178
  208   3HZ   LYS  29          3HZ       LYS  29 -11.083  -1.631   8.126
  209    H    GLU  30           H        GLU  30  -8.863   3.206   2.521
  210    HA   GLU  30           HA       GLU  30 -10.214   0.848   1.723
  211   1HB   GLU  30          1HB       GLU  30 -11.111   3.088   1.212
  212   2HB   GLU  30          2HB       GLU  30  -9.688   3.475   0.265
  213   1HG   GLU  30          1HG       GLU  30 -10.546   2.449  -1.567
  214   2HG   GLU  30          2HG       GLU  30 -10.796   0.959  -0.679
  215    H    CYS  31           H        CYS  31  -7.163   2.534   0.867
  216    HA   CYS  31           HA       CYS  31  -6.629   0.871  -1.362
  217   1HB   CYS  31          1HB       CYS  31  -5.540   2.871  -1.540
  218   2HB   CYS  31          2HB       CYS  31  -5.169   2.965   0.170
  219    H    ASN  32           H        ASN  32  -6.137   0.761   2.153
  220    HA   ASN  32           HA       ASN  32  -4.303  -1.445   1.883
  221   1HB   ASN  32          1HB       ASN  32  -3.653  -0.927   4.039
  222   2HB   ASN  32          2HB       ASN  32  -4.475   0.589   3.730
  223   2HD2  ASN  32          2HD2      ASN  32  -4.058  -1.426   6.062
  224   1HD2  ASN  32          1HD2      ASN  32  -5.612  -1.522   6.820
  225    H    ASN  33           H        ASN  33  -7.568  -1.042   1.598
  226    HA   ASN  33           HA       ASN  33  -8.254  -3.326   3.250
  227   1HB   ASN  33          1HB       ASN  33  -9.803  -1.521   3.597
  228   2HB   ASN  33          2HB       ASN  33  -9.864  -1.127   1.891
  229   2HD2  ASN  33          2HD2      ASN  33 -11.529  -1.806   0.781
  230   1HD2  ASN  33          1HD2      ASN  33 -12.602  -3.104   1.186
  231    H    ARG  34           H        ARG  34  -8.295  -1.975  -0.098
  232    HA   ARG  34           HA       ARG  34  -9.685  -3.995  -1.315
  233   1HB   ARG  34          1HB       ARG  34  -8.566  -1.657  -2.151
  234   2HB   ARG  34          2HB       ARG  34  -7.370  -2.762  -2.796
  235   1HG   ARG  34          1HG       ARG  34 -10.373  -2.996  -3.307
  236   2HG   ARG  34          2HG       ARG  34  -9.245  -2.235  -4.410
  237   1HD   ARG  34          1HD       ARG  34  -7.933  -4.556  -4.189
  238   2HD   ARG  34          2HD       ARG  34  -9.497  -5.161  -3.679
  239    HE   ARG  34           HE       ARG  34  -9.866  -3.602  -6.051
  240   1HH1  ARG  34          1HH1      ARG  34  -8.447  -6.654  -5.025
  241   2HH1  ARG  34          2HH1      ARG  34  -8.673  -7.422  -6.560
  242   1HH2  ARG  34          1HH2      ARG  34 -10.164  -4.615  -8.078
  243   2HH2  ARG  34          2HH2      ARG  34  -9.657  -6.255  -8.309
  244    H    GLY  35           H        GLY  35  -6.312  -3.795  -0.206
  245   1HA   GLY  35          1HA       GLY  35  -5.786  -6.460  -1.379
  246   2HA   GLY  35          2HA       GLY  35  -5.411  -6.066   0.287
  247    H    CYS  36           H        CYS  36  -3.911  -4.130   0.661
  248    HA   CYS  36           HA       CYS  36  -1.521  -4.517  -0.550
  249   1HB   CYS  36          1HB       CYS  36  -3.203  -3.184  -2.378
  250   2HB   CYS  36          2HB       CYS  36  -2.101  -1.966  -1.768
  251    H    CYS  37           H        CYS  37  -0.590  -1.724  -0.603
  252    HA   CYS  37           HA       CYS  37  -1.221  -0.977   2.161
  253   1HB   CYS  37          1HB       CYS  37   1.393  -1.214   0.740
  254   2HB   CYS  37          2HB       CYS  37   1.208   0.075   1.912
  255    H    PHE  38           H        PHE  38  -1.178   1.383   2.570
  256    HA   PHE  38           HA       PHE  38  -1.540   2.913   0.090
  257   1HB   PHE  38          1HB       PHE  38  -3.657   2.586   1.337
  258   2HB   PHE  38          2HB       PHE  38  -2.877   2.982   2.855
  259    HD1  PHE  38           HD1      PHE  38  -4.044   4.394  -0.351
  260    HD2  PHE  38           HD2      PHE  38  -2.664   5.236   3.572
  261    HE1  PHE  38           HE1      PHE  38  -4.729   6.793  -0.625
  262    HE2  PHE  38           HE2      PHE  38  -3.349   7.635   3.298
  263    HZ   PHE  38           HZ       PHE  38  -4.373   8.385   1.203
  264    H    ASP  39           H        ASP  39  -1.370   5.422   0.647
  265    HA   ASP  39           HA       ASP  39   0.206   6.198   2.775
  266   1HB   ASP  39          1HB       ASP  39   2.059   5.003   1.777
  267   2HB   ASP  39          2HB       ASP  39   1.679   5.609   0.177
  268    H    SER  40           H        SER  40   0.401   8.544   2.737
  269    HA   SER  40           HA       SER  40  -0.468   9.794   0.261
  270   1HB   SER  40          1HB       SER  40  -1.976  11.294   1.487
  271   2HB   SER  40          2HB       SER  40  -2.437   9.626   1.764
  272    HG   SER  40           HG       SER  40  -1.251   9.719   3.811
  273    H    ARG  41           H        ARG  41   2.081   9.355   2.076
  274    HA   ARG  41           HA       ARG  41   2.768  11.741   3.215
  275   1HB   ARG  41          1HB       ARG  41   3.965   9.303   2.977
  276   2HB   ARG  41          2HB       ARG  41   4.921  10.182   1.801
  277   1HG   ARG  41          1HG       ARG  41   4.613  11.826   4.176
  278   2HG   ARG  41          2HG       ARG  41   5.164  10.233   4.658
  279   1HD   ARG  41          1HD       ARG  41   7.245  10.587   3.795
  280   2HD   ARG  41          2HD       ARG  41   6.598  11.148   2.266
  281    HE   ARG  41           HE       ARG  41   6.179  13.184   4.243
  282   1HH1  ARG  41          1HH1      ARG  41   8.778  11.678   2.410
  283   2HH1  ARG  41          2HH1      ARG  41   9.793  13.080   2.453
  284   1HH2  ARG  41          1HH2      ARG  41   7.518  15.035   4.300
  285   2HH2  ARG  41          2HH2      ARG  41   9.072  15.003   3.535
  286    H    ILE  42           H        ILE  42   3.380  10.500  -0.144
  287    HA   ILE  42           HA       ILE  42   3.509  13.254  -1.054
  288    HB   ILE  42           HB       ILE  42   5.568  12.168  -2.476
  289   1HG1  ILE  42          1HG1      ILE  42   7.133  11.194  -0.825
  290   2HG1  ILE  42          2HG1      ILE  42   5.857  11.178   0.376
  291   1HG2  ILE  42          1HG2      ILE  42   5.348  14.024  -0.148
  292   2HG2  ILE  42          2HG2      ILE  42   6.969  13.514  -0.678
  293   3HG2  ILE  42          3HG2      ILE  42   5.876  14.332  -1.820
  294   1HD1  ILE  42          1HD1      ILE  42   5.062   9.924  -2.189
  295   2HD1  ILE  42          2HD1      ILE  42   6.413   9.104  -1.370
  296   3HD1  ILE  42          3HD1      ILE  42   4.864   9.330  -0.523
  297    HA   PRO  43           HA       PRO  43   1.185  11.358  -4.176
  298   1HB   PRO  43          1HB       PRO  43   0.958  13.471  -5.894
  299   2HB   PRO  43          2HB       PRO  43  -0.067  13.265  -4.488
  300   1HG   PRO  43          1HG       PRO  43   2.188  15.137  -4.880
  301   2HG   PRO  43          2HG       PRO  43   0.906  15.198  -3.687
  302   1HD   PRO  43          1HD       PRO  43   3.616  14.367  -3.252
  303   2HD   PRO  43          2HD       PRO  43   2.306  14.318  -2.090
  304    H    GLY  44           H        GLY  44   4.102  13.080  -5.041
  305   1HA   GLY  44          1HA       GLY  44   5.810  12.333  -6.342
  306   2HA   GLY  44          2HA       GLY  44   4.571  12.408  -7.579
  307    H    VAL  45           H        VAL  45   4.886  10.150  -4.759
  308    HA   VAL  45           HA       VAL  45   5.494   7.986  -6.600
  309    HB   VAL  45           HB       VAL  45   6.327   6.866  -4.802
  310   1HG1  VAL  45          1HG1      VAL  45   7.170   9.403  -5.033
  311   2HG1  VAL  45          2HG1      VAL  45   6.584   9.458  -3.354
  312   3HG1  VAL  45          3HG1      VAL  45   7.828   8.276  -3.824
  313   1HG2  VAL  45          1HG2      VAL  45   4.326   8.350  -3.075
  314   2HG2  VAL  45          2HG2      VAL  45   4.345   6.620  -3.490
  315   3HG2  VAL  45          3HG2      VAL  45   5.599   7.292  -2.421
  316    HA   PRO  46           HA       PRO  46   1.543   6.239  -6.430
  317   1HB   PRO  46          1HB       PRO  46   1.957   3.551  -6.160
  318   2HB   PRO  46          2HB       PRO  46   2.150   4.402  -7.679
  319   1HG   PRO  46          1HG       PRO  46   4.235   3.376  -5.852
  320   2HG   PRO  46          2HG       PRO  46   4.381   3.836  -7.536
  321   1HD   PRO  46          1HD       PRO  46   5.240   5.357  -5.261
  322   2HD   PRO  46          2HD       PRO  46   5.281   5.865  -6.937
  323    H    TRP  47           H        TRP  47   0.660   7.301  -4.641
  324    HA   TRP  47           HA       TRP  47   0.982   6.925  -2.082
  325   1HB   TRP  47          1HB       TRP  47  -1.503   7.193  -3.701
  326   2HB   TRP  47          2HB       TRP  47  -1.679   6.828  -1.996
  327    HD1  TRP  47           HD1      TRP  47   1.209   9.128  -3.063
  328    HE1  TRP  47           HE1      TRP  47   0.835  11.600  -2.220
  329    HE3  TRP  47           HE3      TRP  47  -3.553   8.409  -1.431
  330    HZ2  TRP  47           HZ2      TRP  47  -1.361  12.948  -0.993
  331    HZ3  TRP  47           HZ3      TRP  47  -4.741  10.355  -0.423
  332    HH2  TRP  47           HH2      TRP  47  -3.722  12.564  -0.192
  333    H    CYS  48           H        CYS  48  -1.051   4.656  -4.079
  334    HA   CYS  48           HA       CYS  48  -0.928   2.734  -1.924
  335   1HB   CYS  48          1HB       CYS  48  -2.986   3.330  -3.405
  336   2HB   CYS  48          2HB       CYS  48  -2.247   2.264  -4.582
  337    H    PHE  49           H        PHE  49   0.709   1.235  -1.847
  338    HA   PHE  49           HA       PHE  49   1.779   0.268  -4.377
  339   1HB   PHE  49          1HB       PHE  49   4.102   0.529  -3.222
  340   2HB   PHE  49          2HB       PHE  49   3.353   2.019  -3.761
  341    HD1  PHE  49           HD1      PHE  49   3.680  -0.139  -0.743
  342    HD2  PHE  49           HD2      PHE  49   3.079   3.776  -2.265
  343    HE1  PHE  49           HE1      PHE  49   3.857   0.792   1.582
  344    HE2  PHE  49           HE2      PHE  49   3.257   4.707   0.060
  345    HZ   PHE  49           HZ       PHE  49   3.644   3.204   1.955
  346    H    LYS  50           H        LYS  50   3.219  -1.708  -4.009
  347    HA   LYS  50           HA       LYS  50   1.835  -3.500  -2.322
  348   1HB   LYS  50          1HB       LYS  50   4.404  -3.779  -3.908
  349   2HB   LYS  50          2HB       LYS  50   3.608  -5.101  -3.079
  350   1HG   LYS  50          1HG       LYS  50   1.483  -4.066  -4.479
  351   2HG   LYS  50          2HG       LYS  50   2.795  -3.655  -5.566
  352   1HD   LYS  50          1HD       LYS  50   3.318  -6.327  -4.737
  353   2HD   LYS  50          2HD       LYS  50   1.593  -6.267  -5.037
  354   1HE   LYS  50          1HE       LYS  50   2.506  -4.882  -7.228
  355   2HE   LYS  50          2HE       LYS  50   3.865  -5.955  -6.957
  356   1HZ   LYS  50          1HZ       LYS  50   2.004  -7.710  -6.752
  357   2HZ   LYS  50          2HZ       LYS  50   1.116  -6.635  -7.602
  358   3HZ   LYS  50          3HZ       LYS  50   2.502  -7.226  -8.230
  359    HA   PRO  51           HA       PRO  51   4.172  -3.279   1.300
  360   1HB   PRO  51          1HB       PRO  51   4.268  -5.863   2.185
  361   2HB   PRO  51          2HB       PRO  51   2.860  -4.837   2.375
  362   1HG   PRO  51          1HG       PRO  51   3.288  -7.064   0.478
  363   2HG   PRO  51          2HG       PRO  51   1.782  -6.319   0.974
  364   1HD   PRO  51          1HD       PRO  51   3.162  -5.910  -1.506
  365   2HD   PRO  51          2HD       PRO  51   1.719  -5.079  -0.961
  366    H    LEU  52           H        LEU  52   6.214  -2.698   1.640
  367    HA   LEU  52           HA       LEU  52   8.259  -3.205   0.066
  368   1HB   LEU  52          1HB       LEU  52   8.453  -1.748   1.932
  369   2HB   LEU  52          2HB       LEU  52   8.236  -3.058   3.076
  370    HG   LEU  52           HG       LEU  52  10.617  -2.799   1.219
  371   1HD1  LEU  52          1HD1      LEU  52  10.022  -1.223   3.462
  372   2HD1  LEU  52          2HD1      LEU  52  11.222  -2.415   4.017
  373   3HD1  LEU  52          3HD1      LEU  52  11.582  -1.375   2.619
  374   1HD2  LEU  52          1HD2      LEU  52   9.677  -4.897   3.016
  375   2HD2  LEU  52          2HD2      LEU  52  10.938  -4.937   1.759
  376   3HD2  LEU  52          3HD2      LEU  52  11.330  -4.356   3.395
  377    H    GLN  53           H        GLN  53   9.753  -4.803  -0.445
  378    HA   GLN  53           HA       GLN  53   8.882  -7.421  -0.067
  379   1HB   GLN  53          1HB       GLN  53  11.168  -6.042  -1.373
  380   2HB   GLN  53          2HB       GLN  53  11.515  -7.682  -0.862
  381   1HG   GLN  53          1HG       GLN  53  10.473  -8.389  -2.751
  382   2HG   GLN  53          2HG       GLN  53   8.962  -7.894  -2.015
  383   2HE2  GLN  53          2HE2      GLN  53   8.846  -5.299  -2.020
  384   1HE2  GLN  53          1HE2      GLN  53   8.999  -4.594  -3.595
  385    H    GLU  54           H        GLU  54   8.669  -7.360   2.361
  386    HA   GLU  54           HA       GLU  54  10.624  -6.954   4.128
  387   1HB   GLU  54          1HB       GLU  54   9.335  -8.178   5.655
  388   2HB   GLU  54          2HB       GLU  54   8.155  -7.782   4.422
  389   1HG   GLU  54          1HG       GLU  54   8.777 -10.056   3.323
  390   2HG   GLU  54          2HG       GLU  54   9.606 -10.429   4.822
  391    H    ALA  55           H        ALA  55  12.666  -7.723   4.440
  392    HA   ALA  55           HA       ALA  55  13.225 -10.506   4.190
  393   1HB   ALA  55          1HB       ALA  55  13.257  -9.866   1.804
  394   2HB   ALA  55          2HB       ALA  55  14.886 -10.295   2.377
  395   3HB   ALA  55          3HB       ALA  55  14.440  -8.585   2.161
  396    H    GLU  56           H        GLU  56  14.181 -10.595   6.183
  397    HA   GLU  56           HA       GLU  56  15.617  -8.463   7.246
  398   1HB   GLU  56          1HB       GLU  56  15.058 -11.301   7.975
  399   2HB   GLU  56          2HB       GLU  56  16.504 -10.620   8.694
  400   1HG   GLU  56          1HG       GLU  56  14.605  -8.568   8.990
  401   2HG   GLU  56          2HG       GLU  56  13.672 -10.025   9.268
  402    H    CYS  57           H        CYS  57  17.917  -8.212   7.622
  403    HA   CYS  57           HA       CYS  57  19.789 -10.034   6.624
  404   1HB   CYS  57          1HB       CYS  57  19.087  -9.418   4.426
  405   2HB   CYS  57          2HB       CYS  57  19.133  -7.709   4.813
  406    H    THR  58           H        THR  58  19.976  -9.236   9.024
  407    HA   THR  58           HA       THR  58  21.494  -6.712   9.091
  408    HB   THR  58           HB       THR  58  19.396  -6.723  10.433
  409    HG1  THR  58           HG1      THR  58  20.566  -6.168  12.395
  410   1HG2  THR  58          1HG2      THR  58  20.249  -9.421  11.079
  411   2HG2  THR  58          2HG2      THR  58  20.220  -8.457  12.575
  412   3HG2  THR  58          3HG2      THR  58  18.754  -8.592  11.575
  413    H    PHE  59           H        PHE  59  23.540  -6.630   9.961
  414    HA   PHE  59           HA       PHE  59  25.572  -7.438  10.310
  415   1HB   PHE  59          1HB       PHE  59  23.725  -8.260  12.358
  416   2HB   PHE  59          2HB       PHE  59  24.746  -9.656  12.074
  417    HD1  PHE  59           HD1      PHE  59  25.281  -5.959  12.331
  418    HD2  PHE  59           HD2      PHE  59  26.487  -9.839  13.556
  419    HE1  PHE  59           HE1      PHE  59  27.066  -4.948  13.777
  420    HE2  PHE  59           HE2      PHE  59  28.272  -8.827  15.003
  421    HZ   PHE  59           HZ       PHE  59  28.540  -6.394  15.096

  No H/Q in entry =         421
  Start of MODEL   19
    1    H    GLU   1           H        GLU   1   6.182 -16.757  16.600
    2    HA   GLU   1           HA       GLU   1   8.673 -16.090  15.378
    3   1HB   GLU   1          1HB       GLU   1   8.598 -18.574  16.566
    4   2HB   GLU   1          2HB       GLU   1   8.023 -18.965  14.958
    5   1HG   GLU   1          1HG       GLU   1  10.176 -17.230  14.465
    6   2HG   GLU   1          2HG       GLU   1  10.726 -18.170  15.837
    7    H    GLU   2           H        GLU   2   6.462 -14.855  14.684
    8    HA   GLU   2           HA       GLU   2   5.949 -15.866  12.086
    9   1HB   GLU   2          1HB       GLU   2   4.239 -16.893  13.955
   10   2HB   GLU   2          2HB       GLU   2   3.384 -15.416  13.554
   11   1HG   GLU   2          1HG       GLU   2   4.395 -16.763  11.141
   12   2HG   GLU   2          2HG       GLU   2   3.362 -17.822  12.081
   13    H    TYR   3           H        TYR   3   6.052 -14.062  10.826
   14    HA   TYR   3           HA       TYR   3   6.347 -11.539  11.604
   15   1HB   TYR   3          1HB       TYR   3   6.486 -12.134   9.261
   16   2HB   TYR   3          2HB       TYR   3   4.913 -12.906   9.279
   17    HD1  TYR   3           HD1      TYR   3   6.240  -9.465  10.033
   18    HD2  TYR   3           HD2      TYR   3   3.320 -11.835   7.993
   19    HE1  TYR   3           HE1      TYR   3   5.188  -7.358   9.076
   20    HE2  TYR   3           HE2      TYR   3   2.278  -9.719   7.042
   21    HH   TYR   3           HH       TYR   3   3.008  -7.430   6.527
   22    H    VAL   4           H        VAL   4   5.165  -9.784  12.319
   23    HA   VAL   4           HA       VAL   4   2.387  -9.575  12.038
   24    HB   VAL   4           HB       VAL   4   3.375 -11.084  14.353
   25   1HG1  VAL   4          1HG1      VAL   4   1.733  -8.596  14.726
   26   2HG1  VAL   4          2HG1      VAL   4   1.407 -10.021  15.742
   27   3HG1  VAL   4          3HG1      VAL   4   3.023  -9.275  15.748
   28   1HG2  VAL   4          1HG2      VAL   4   1.034 -10.944  12.578
   29   2HG2  VAL   4          2HG2      VAL   4   1.772 -12.340  13.401
   30   3HG2  VAL   4          3HG2      VAL   4   0.630 -11.292  14.276
   31    H    GLY   5           H        GLY   5   2.848  -7.462  11.414
   32   1HA   GLY   5          1HA       GLY   5   4.664  -5.734  12.552
   33   2HA   GLY   5          2HA       GLY   5   3.214  -5.575  13.522
   34    H    LEU   6           H        LEU   6   1.408  -4.473  12.716
   35    HA   LEU   6           HA       LEU   6   1.147  -3.972   9.919
   36   1HB   LEU   6          1HB       LEU   6  -0.467  -2.327  11.701
   37   2HB   LEU   6          2HB       LEU   6  -0.947  -3.427  10.423
   38    HG   LEU   6           HG       LEU   6  -0.367  -4.090  13.315
   39   1HD1  LEU   6          1HD1      LEU   6  -2.603  -3.150  12.704
   40   2HD1  LEU   6          2HD1      LEU   6  -2.859  -4.572  11.664
   41   3HD1  LEU   6          3HD1      LEU   6  -2.655  -4.778  13.420
   42   1HD2  LEU   6          1HD2      LEU   6   0.036  -5.771  11.016
   43   2HD2  LEU   6          2HD2      LEU   6   0.289  -6.128  12.741
   44   3HD2  LEU   6          3HD2      LEU   6  -1.306  -6.401  12.000
   45    H    SER   7           H        SER   7   0.924  -1.432  12.454
   46    HA   SER   7           HA       SER   7   1.535   0.682  12.280
   47   1HB   SER   7          1HB       SER   7   4.222   0.755  12.128
   48   2HB   SER   7          2HB       SER   7   3.383   0.196  13.562
   49    HG   SER   7           HG       SER   7   4.130  -1.615  11.441
   50    H    ALA   8           H        ALA   8   4.433  -0.030  10.386
   51    HA   ALA   8           HA       ALA   8   3.186   0.616   7.871
   52   1HB   ALA   8          1HB       ALA   8   4.865   2.574   9.436
   53   2HB   ALA   8          2HB       ALA   8   4.940   2.566   7.658
   54   3HB   ALA   8          3HB       ALA   8   3.390   2.860   8.482
   55    H    ASN   9           H        ASN   9   4.844  -1.493   9.402
   56    HA   ASN   9           HA       ASN   9   7.423  -1.462   8.457
   57   1HB   ASN   9          1HB       ASN   9   5.831  -3.180   9.993
   58   2HB   ASN   9          2HB       ASN   9   6.163  -4.155   8.575
   59   2HD2  ASN   9          2HD2      ASN   9   7.740  -2.013  10.930
   60   1HD2  ASN   9          1HD2      ASN   9   9.241  -2.870  11.043
   61    H    GLN  10           H        GLN  10   4.535  -3.343   7.242
   62    HA   GLN  10           HA       GLN  10   5.798  -4.232   4.944
   63   1HB   GLN  10          1HB       GLN  10   3.423  -4.696   4.160
   64   2HB   GLN  10          2HB       GLN  10   3.835  -5.376   5.721
   65   1HG   GLN  10          1HG       GLN  10   2.787  -2.639   5.982
   66   2HG   GLN  10          2HG       GLN  10   1.652  -3.683   5.150
   67   2HE2  GLN  10          2HE2      GLN  10   0.991  -5.656   6.141
   68   1HE2  GLN  10          1HE2      GLN  10   0.971  -5.833   7.864
   69    H    CYS  11           H        CYS  11   4.346  -1.147   5.789
   70    HA   CYS  11           HA       CYS  11   4.609  -0.335   2.985
   71   1HB   CYS  11          1HB       CYS  11   2.943   1.370   4.698
   72   2HB   CYS  11          2HB       CYS  11   2.697   0.831   3.049
   73    H    ALA  12           H        ALA  12   6.910  -0.442   4.497
   74    HA   ALA  12           HA       ALA  12   7.265   2.314   5.454
   75   1HB   ALA  12          1HB       ALA  12   9.437   0.655   6.240
   76   2HB   ALA  12          2HB       ALA  12   8.163   1.348   7.271
   77   3HB   ALA  12          3HB       ALA  12   7.948  -0.267   6.555
   78    H    VAL  13           H        VAL  13   7.184   1.907   2.687
   79    HA   VAL  13           HA       VAL  13   9.902   1.509   1.792
   80    HB   VAL  13           HB       VAL  13   7.844   2.540  -0.054
   81   1HG1  VAL  13          1HG1      VAL  13  10.125   0.657  -0.036
   82   2HG1  VAL  13          2HG1      VAL  13   8.758   0.181  -1.072
   83   3HG1  VAL  13          3HG1      VAL  13   9.550   1.757  -1.312
   84   1HG2  VAL  13          1HG2      VAL  13   7.406   0.088   1.615
   85   2HG2  VAL  13          2HG2      VAL  13   6.233   1.277   0.999
   86   3HG2  VAL  13          3HG2      VAL  13   6.924   0.059  -0.099
   87    HA   PRO  14           HA       PRO  14  10.918   5.711   1.863
   88   1HB   PRO  14          1HB       PRO  14  12.992   5.767   0.084
   89   2HB   PRO  14          2HB       PRO  14  13.168   5.239   1.746
   90   1HG   PRO  14          1HG       PRO  14  13.084   3.608  -0.718
   91   2HG   PRO  14          2HG       PRO  14  13.674   3.166   0.872
   92   1HD   PRO  14          1HD       PRO  14  11.177   2.391  -0.309
   93   2HD   PRO  14          2HD       PRO  14  11.717   2.046   1.322
   94    H    ALA  15           H        ALA  15   9.275   4.329  -0.561
   95    HA   ALA  15           HA       ALA  15   7.812   5.389  -1.923
   96   1HB   ALA  15          1HB       ALA  15   9.401   7.931  -2.046
   97   2HB   ALA  15          2HB       ALA  15   7.638   7.688  -2.038
   98   3HB   ALA  15          3HB       ALA  15   8.563   7.540  -0.525
   99    H    LYS  16           H        LYS  16  11.295   5.283  -2.153
  100    HA   LYS  16           HA       LYS  16  11.207   5.555  -5.049
  101   1HB   LYS  16          1HB       LYS  16  13.645   5.545  -4.905
  102   2HB   LYS  16          2HB       LYS  16  12.953   6.763  -3.853
  103   1HG   LYS  16          1HG       LYS  16  14.661   5.654  -2.566
  104   2HG   LYS  16          2HG       LYS  16  13.127   5.093  -1.930
  105   1HD   LYS  16          1HD       LYS  16  13.371   2.947  -2.826
  106   2HD   LYS  16          2HD       LYS  16  14.346   3.498  -4.173
  107   1HE   LYS  16          1HE       LYS  16  16.205   2.871  -3.035
  108   2HE   LYS  16          2HE       LYS  16  15.870   4.123  -1.855
  109   1HZ   LYS  16          1HZ       LYS  16  14.330   1.706  -1.588
  110   2HZ   LYS  16          2HZ       LYS  16  15.924   1.568  -1.263
  111   3HZ   LYS  16          3HZ       LYS  16  15.012   2.640  -0.435
  112    H    ASP  17           H        ASP  17  10.161   3.245  -3.124
  113    HA   ASP  17           HA       ASP  17  11.314   1.178  -4.812
  114   1HB   ASP  17          1HB       ASP  17  11.570   1.440  -1.945
  115   2HB   ASP  17          2HB       ASP  17  10.548   0.054  -2.266
  116    H    ARG  18           H        ARG  18   8.714   2.928  -4.485
  117    HA   ARG  18           HA       ARG  18   6.746   1.080  -3.674
  118   1HB   ARG  18          1HB       ARG  18   6.313   3.582  -5.369
  119   2HB   ARG  18          2HB       ARG  18   5.154   2.813  -4.304
  120   1HG   ARG  18          1HG       ARG  18   7.769   4.087  -3.370
  121   2HG   ARG  18          2HG       ARG  18   6.209   4.882  -3.314
  122   1HD   ARG  18          1HD       ARG  18   5.438   2.748  -1.957
  123   2HD   ARG  18          2HD       ARG  18   7.153   2.474  -1.722
  124    HE   ARG  18           HE       ARG  18   7.120   4.175  -0.135
  125   1HH1  ARG  18          1HH1      ARG  18   4.540   4.777  -2.452
  126   2HH1  ARG  18          2HH1      ARG  18   3.961   6.189  -1.633
  127   1HH2  ARG  18          1HH2      ARG  18   6.356   6.038   0.945
  128   2HH2  ARG  18          2HH2      ARG  18   5.001   6.911   0.312
  129    H    VAL  19           H        VAL  19   6.059  -0.647  -4.899
  130    HA   VAL  19           HA       VAL  19   6.696  -0.717  -7.701
  131    HB   VAL  19           HB       VAL  19   5.088  -2.720  -6.127
  132   1HG1  VAL  19          1HG1      VAL  19   6.663  -2.722  -8.681
  133   2HG1  VAL  19          2HG1      VAL  19   6.550  -4.223  -7.731
  134   3HG1  VAL  19          3HG1      VAL  19   5.070  -3.430  -8.322
  135   1HG2  VAL  19          1HG2      VAL  19   7.879  -1.919  -5.728
  136   2HG2  VAL  19          2HG2      VAL  19   6.819  -2.931  -4.717
  137   3HG2  VAL  19          3HG2      VAL  19   7.694  -3.653  -6.088
  138    H    ASP  20           H        ASP  20   4.220   0.634  -5.823
  139    HA   ASP  20           HA       ASP  20   2.261   1.445  -6.273
  140   1HB   ASP  20          1HB       ASP  20   3.114   2.569  -8.193
  141   2HB   ASP  20          2HB       ASP  20   3.317   1.078  -9.091
  142    H    CYS  21           H        CYS  21   0.416   0.249  -5.786
  143    HA   CYS  21           HA       CYS  21   0.164  -2.396  -6.872
  144   1HB   CYS  21          1HB       CYS  21  -0.462  -1.311  -4.463
  145   2HB   CYS  21          2HB       CYS  21  -2.030  -1.264  -5.245
  146    H    GLY  22           H        GLY  22  -0.833   0.855  -7.595
  147   1HA   GLY  22          1HA       GLY  22  -2.191   0.099  -9.952
  148   2HA   GLY  22          2HA       GLY  22  -2.105   1.700  -9.247
  149    H    TYR  23           H        TYR  23  -3.753   2.440  -7.794
  150    HA   TYR  23           HA       TYR  23  -6.206   0.867  -8.008
  151   1HB   TYR  23          1HB       TYR  23  -4.632   1.809  -5.579
  152   2HB   TYR  23          2HB       TYR  23  -6.379   1.881  -5.465
  153    HD1  TYR  23           HD1      TYR  23  -7.608  -0.386  -6.248
  154    HD2  TYR  23           HD2      TYR  23  -3.579  -0.119  -4.833
  155    HE1  TYR  23           HE1      TYR  23  -7.662  -2.846  -5.609
  156    HE2  TYR  23           HE2      TYR  23  -3.646  -2.580  -4.200
  157    HH   TYR  23           HH       TYR  23  -5.539  -4.221  -3.558
  158    HA   PRO  24           HA       PRO  24  -7.834   4.801  -8.796
  159   1HB   PRO  24          1HB       PRO  24 -10.504   4.297  -8.507
  160   2HB   PRO  24          2HB       PRO  24  -9.607   3.907  -9.961
  161   1HG   PRO  24          1HG       PRO  24 -10.576   2.092  -7.839
  162   2HG   PRO  24          2HG       PRO  24 -10.068   1.702  -9.470
  163   1HD   PRO  24          1HD       PRO  24  -8.563   1.298  -7.062
  164   2HD   PRO  24          2HD       PRO  24  -8.013   1.016  -8.701
  165    H    HIS  25           H        HIS  25 -10.064   3.612  -6.343
  166    HA   HIS  25           HA       HIS  25  -9.696   6.126  -4.971
  167   1HB   HIS  25          1HB       HIS  25 -11.618   5.491  -3.676
  168   2HB   HIS  25          2HB       HIS  25 -11.953   5.223  -5.375
  169    HD1  HIS  25           HD1      HIS  25 -13.752   3.713  -3.573
  170    HD2  HIS  25           HD2      HIS  25 -10.002   2.198  -4.685
  171    HE1  HIS  25           HE1      HIS  25 -13.872   1.187  -3.232
  172    HE2  HIS  25           HE2      HIS  25 -11.557   0.306  -3.984
  173    H    VAL  26           H        VAL  26  -7.497   5.881  -4.243
  174    HA   VAL  26           HA       VAL  26  -7.048   3.687  -2.373
  175    HB   VAL  26           HB       VAL  26  -4.698   4.477  -2.474
  176   1HG1  VAL  26          1HG1      VAL  26  -6.043   3.812  -5.114
  177   2HG1  VAL  26          2HG1      VAL  26  -4.289   3.731  -4.821
  178   3HG1  VAL  26          3HG1      VAL  26  -5.392   2.666  -3.917
  179   1HG2  VAL  26          1HG2      VAL  26  -5.689   6.854  -3.337
  180   2HG2  VAL  26          2HG2      VAL  26  -4.007   6.327  -3.582
  181   3HG2  VAL  26          3HG2      VAL  26  -5.202   6.126  -4.886
  182    H    THR  27           H        THR  27  -6.842   3.983  -0.174
  183    HA   THR  27           HA       THR  27  -6.545   6.668   0.866
  184    HB   THR  27           HB       THR  27  -8.678   6.827   1.859
  185    HG1  THR  27           HG1      THR  27  -9.850   4.835   2.308
  186   1HG2  THR  27          1HG2      THR  27  -9.135   5.069  -0.608
  187   2HG2  THR  27          2HG2      THR  27 -10.429   5.923   0.267
  188   3HG2  THR  27          3HG2      THR  27  -9.156   6.848  -0.565
  189    HA   PRO  28           HA       PRO  28  -4.689   4.587   4.132
  190   1HB   PRO  28          1HB       PRO  28  -5.401   5.967   6.381
  191   2HB   PRO  28          2HB       PRO  28  -4.174   6.526   5.261
  192   1HG   PRO  28          1HG       PRO  28  -6.942   7.501   5.617
  193   2HG   PRO  28          2HG       PRO  28  -5.591   8.295   4.833
  194   1HD   PRO  28          1HD       PRO  28  -7.799   6.994   3.545
  195   2HD   PRO  28          2HD       PRO  28  -6.391   7.686   2.765
  196    H    LYS  29           H        LYS  29  -7.031   3.306   3.248
  197    HA   LYS  29           HA       LYS  29  -7.326   1.473   5.311
  198   1HB   LYS  29          1HB       LYS  29  -8.581   3.579   6.228
  199   2HB   LYS  29          2HB       LYS  29  -9.842   3.111   5.105
  200   1HG   LYS  29          1HG       LYS  29  -8.624   1.158   7.106
  201   2HG   LYS  29          2HG       LYS  29 -10.021   2.145   7.486
  202   1HD   LYS  29          1HD       LYS  29 -10.937   1.137   5.167
  203   2HD   LYS  29          2HD       LYS  29  -9.783  -0.134   5.521
  204   1HE   LYS  29          1HE       LYS  29 -11.087  -0.998   7.181
  205   2HE   LYS  29          2HE       LYS  29 -11.340   0.575   7.911
  206   1HZ   LYS  29          1HZ       LYS  29 -12.718   0.313   5.452
  207   2HZ   LYS  29          2HZ       LYS  29 -13.169  -0.839   6.518
  208   3HZ   LYS  29          3HZ       LYS  29 -13.292   0.739   6.920
  209    H    GLU  30           H        GLU  30  -8.933   3.163   2.557
  210    HA   GLU  30           HA       GLU  30 -10.231   0.801   1.718
  211   1HB   GLU  30          1HB       GLU  30 -11.198   2.966   1.179
  212   2HB   GLU  30          2HB       GLU  30  -9.734   3.485   0.367
  213   1HG   GLU  30          1HG       GLU  30 -10.167   2.229  -1.538
  214   2HG   GLU  30          2HG       GLU  30 -10.967   0.947  -0.649
  215    H    CYS  31           H        CYS  31  -7.164   2.481   0.941
  216    HA   CYS  31           HA       CYS  31  -6.608   0.836  -1.305
  217   1HB   CYS  31          1HB       CYS  31  -5.540   2.850  -1.474
  218   2HB   CYS  31          2HB       CYS  31  -5.174   2.942   0.237
  219    H    ASN  32           H        ASN  32  -6.198   0.704   2.208
  220    HA   ASN  32           HA       ASN  32  -4.299  -1.450   1.976
  221   1HB   ASN  32          1HB       ASN  32  -5.579  -0.436   4.553
  222   2HB   ASN  32          2HB       ASN  32  -4.030  -1.235   4.368
  223   2HD2  ASN  32          2HD2      ASN  32  -2.381   0.043   4.625
  224   1HD2  ASN  32          1HD2      ASN  32  -2.253   1.710   4.172
  225    H    ASN  33           H        ASN  33  -7.599  -1.073   1.678
  226    HA   ASN  33           HA       ASN  33  -8.260  -3.424   3.235
  227   1HB   ASN  33          1HB       ASN  33  -9.820  -1.586   3.546
  228   2HB   ASN  33          2HB       ASN  33  -9.928  -1.290   1.822
  229   2HD2  ASN  33          2HD2      ASN  33 -11.498  -2.537   4.384
  230   1HD2  ASN  33          1HD2      ASN  33 -12.548  -3.689   3.629
  231    H    ARG  34           H        ARG  34  -8.347  -1.991  -0.089
  232    HA   ARG  34           HA       ARG  34  -9.636  -4.003  -1.381
  233   1HB   ARG  34          1HB       ARG  34  -8.506  -1.645  -2.141
  234   2HB   ARG  34          2HB       ARG  34  -7.285  -2.732  -2.771
  235   1HG   ARG  34          1HG       ARG  34 -10.272  -2.930  -3.384
  236   2HG   ARG  34          2HG       ARG  34  -9.081  -2.209  -4.449
  237   1HD   ARG  34          1HD       ARG  34  -7.834  -4.527  -4.242
  238   2HD   ARG  34          2HD       ARG  34  -9.372  -5.127  -3.654
  239    HE   ARG  34           HE       ARG  34  -9.887  -3.649  -6.033
  240   1HH1  ARG  34          1HH1      ARG  34  -8.250  -6.603  -5.046
  241   2HH1  ARG  34          2HH1      ARG  34  -8.495  -7.398  -6.566
  242   1HH2  ARG  34          1HH2      ARG  34 -10.211  -4.697  -8.038
  243   2HH2  ARG  34          2HH2      ARG  34  -9.618  -6.306  -8.279
  244    H    GLY  35           H        GLY  35  -6.286  -3.802  -0.192
  245   1HA   GLY  35          1HA       GLY  35  -5.732  -6.458  -1.375
  246   2HA   GLY  35          2HA       GLY  35  -5.376  -6.066   0.295
  247    H    CYS  36           H        CYS  36  -3.881  -4.136   0.695
  248    HA   CYS  36           HA       CYS  36  -1.480  -4.505  -0.488
  249   1HB   CYS  36          1HB       CYS  36  -3.148  -3.174  -2.336
  250   2HB   CYS  36          2HB       CYS  36  -2.044  -1.961  -1.719
  251    H    CYS  37           H        CYS  37  -0.553  -1.714  -0.531
  252    HA   CYS  37           HA       CYS  37  -1.227  -0.962   2.221
  253   1HB   CYS  37          1HB       CYS  37   1.395  -1.272   0.860
  254   2HB   CYS  37          2HB       CYS  37   1.224   0.109   1.925
  255    H    PHE  38           H        PHE  38  -1.188   1.401   2.627
  256    HA   PHE  38           HA       PHE  38  -1.547   2.919   0.138
  257   1HB   PHE  38          1HB       PHE  38  -3.653   2.601   1.414
  258   2HB   PHE  38          2HB       PHE  38  -2.856   3.025   2.916
  259    HD1  PHE  38           HD1      PHE  38  -4.038   4.383  -0.311
  260    HD2  PHE  38           HD2      PHE  38  -2.659   5.287   3.600
  261    HE1  PHE  38           HE1      PHE  38  -4.728   6.777  -0.620
  262    HE2  PHE  38           HE2      PHE  38  -3.349   7.680   3.290
  263    HZ   PHE  38           HZ       PHE  38  -4.375   8.396   1.184
  264    H    ASP  39           H        ASP  39  -1.359   5.430   0.672
  265    HA   ASP  39           HA       ASP  39   0.234   6.218   2.782
  266   1HB   ASP  39          1HB       ASP  39   2.068   4.992   1.772
  267   2HB   ASP  39          2HB       ASP  39   1.691   5.612   0.176
  268    H    SER  40           H        SER  40   0.379   8.555   2.744
  269    HA   SER  40           HA       SER  40  -0.468   9.790   0.251
  270   1HB   SER  40          1HB       SER  40  -1.968  11.308   1.479
  271   2HB   SER  40          2HB       SER  40  -2.444   9.641   1.733
  272    HG   SER  40           HG       SER  40  -0.994  11.358   3.553
  273    H    ARG  41           H        ARG  41   2.097   9.365   2.013
  274    HA   ARG  41           HA       ARG  41   2.782  11.750   3.165
  275   1HB   ARG  41          1HB       ARG  41   3.983   9.324   2.936
  276   2HB   ARG  41          2HB       ARG  41   4.915  10.181   1.725
  277   1HG   ARG  41          1HG       ARG  41   5.162  12.040   3.593
  278   2HG   ARG  41          2HG       ARG  41   4.698  10.758   4.694
  279   1HD   ARG  41          1HD       ARG  41   6.574   9.333   3.766
  280   2HD   ARG  41          2HD       ARG  41   7.063  10.680   2.758
  281    HE   ARG  41           HE       ARG  41   7.439  10.438   5.662
  282   1HH1  ARG  41          1HH1      ARG  41   7.346  12.640   2.919
  283   2HH1  ARG  41          2HH1      ARG  41   8.291  13.861   3.704
  284   1HH2  ARG  41          1HH2      ARG  41   8.686  12.049   6.698
  285   2HH2  ARG  41          2HH2      ARG  41   9.059  13.522   5.868
  286    H    ILE  42           H        ILE  42   3.420  10.510  -0.192
  287    HA   ILE  42           HA       ILE  42   3.515  13.269  -1.103
  288    HB   ILE  42           HB       ILE  42   5.570  12.181  -2.536
  289   1HG1  ILE  42          1HG1      ILE  42   7.148  11.234  -0.877
  290   2HG1  ILE  42          2HG1      ILE  42   5.872  11.215   0.324
  291   1HG2  ILE  42          1HG2      ILE  42   5.184  14.436  -1.240
  292   2HG2  ILE  42          2HG2      ILE  42   6.185  13.646   0.003
  293   3HG2  ILE  42          3HG2      ILE  42   6.827  13.880  -1.641
  294   1HD1  ILE  42          1HD1      ILE  42   5.073   9.942  -2.226
  295   2HD1  ILE  42          2HD1      ILE  42   6.448   9.141  -1.427
  296   3HD1  ILE  42          3HD1      ILE  42   4.908   9.345  -0.557
  297    HA   PRO  43           HA       PRO  43   1.183  11.371  -4.217
  298   1HB   PRO  43          1HB       PRO  43   0.946  13.484  -5.935
  299   2HB   PRO  43          2HB       PRO  43  -0.073  13.277  -4.524
  300   1HG   PRO  43          1HG       PRO  43   2.178  15.151  -4.925
  301   2HG   PRO  43          2HG       PRO  43   0.900  15.210  -3.727
  302   1HD   PRO  43          1HD       PRO  43   3.614  14.383  -3.303
  303   2HD   PRO  43          2HD       PRO  43   2.308  14.332  -2.135
  304    H    GLY  44           H        GLY  44   4.103  13.084  -5.081
  305   1HA   GLY  44          1HA       GLY  44   5.803  12.346  -6.394
  306   2HA   GLY  44          2HA       GLY  44   4.559  12.415  -7.626
  307    H    VAL  45           H        VAL  45   4.850  10.163  -4.803
  308    HA   VAL  45           HA       VAL  45   5.466   7.995  -6.643
  309    HB   VAL  45           HB       VAL  45   6.317   6.881  -4.850
  310   1HG1  VAL  45          1HG1      VAL  45   7.137   9.435  -5.088
  311   2HG1  VAL  45          2HG1      VAL  45   6.591   9.462  -3.394
  312   3HG1  VAL  45          3HG1      VAL  45   7.832   8.295  -3.910
  313   1HG2  VAL  45          1HG2      VAL  45   4.334   8.369  -3.104
  314   2HG2  VAL  45          2HG2      VAL  45   4.341   6.639  -3.523
  315   3HG2  VAL  45          3HG2      VAL  45   5.609   7.303  -2.465
  316    HA   PRO  46           HA       PRO  46   1.517   6.246  -6.434
  317   1HB   PRO  46          1HB       PRO  46   1.936   3.559  -6.167
  318   2HB   PRO  46          2HB       PRO  46   2.114   4.410  -7.689
  319   1HG   PRO  46          1HG       PRO  46   4.217   3.386  -5.881
  320   2HG   PRO  46          2HG       PRO  46   4.346   3.845  -7.568
  321   1HD   PRO  46          1HD       PRO  46   5.226   5.368  -5.302
  322   2HD   PRO  46          2HD       PRO  46   5.250   5.876  -6.979
  323    H    TRP  47           H        TRP  47   0.640   7.303  -4.642
  324    HA   TRP  47           HA       TRP  47   0.992   6.930  -2.084
  325   1HB   TRP  47          1HB       TRP  47  -1.513   7.189  -3.677
  326   2HB   TRP  47          2HB       TRP  47  -1.665   6.837  -1.967
  327    HD1  TRP  47           HD1      TRP  47   1.211   9.127  -3.079
  328    HE1  TRP  47           HE1      TRP  47   0.844  11.607  -2.254
  329    HE3  TRP  47           HE3      TRP  47  -3.538   8.424  -1.403
  330    HZ2  TRP  47           HZ2      TRP  47  -1.342  12.966  -1.021
  331    HZ3  TRP  47           HZ3      TRP  47  -4.718  10.379  -0.402
  332    HH2  TRP  47           HH2      TRP  47  -3.696  12.590  -0.198
  333    H    CYS  48           H        CYS  48  -1.066   4.662  -4.057
  334    HA   CYS  48           HA       CYS  48  -0.908   2.737  -1.905
  335   1HB   CYS  48          1HB       CYS  48  -2.995   3.338  -3.339
  336   2HB   CYS  48          2HB       CYS  48  -2.281   2.278  -4.538
  337    H    PHE  49           H        PHE  49   0.778   1.293  -1.855
  338    HA   PHE  49           HA       PHE  49   1.790   0.325  -4.415
  339   1HB   PHE  49          1HB       PHE  49   4.123   0.554  -3.262
  340   2HB   PHE  49          2HB       PHE  49   3.384   2.050  -3.796
  341    HD1  PHE  49           HD1      PHE  49   3.731  -0.115  -0.788
  342    HD2  PHE  49           HD2      PHE  49   3.094   3.802  -2.291
  343    HE1  PHE  49           HE1      PHE  49   3.918   0.808   1.539
  344    HE2  PHE  49           HE2      PHE  49   3.281   4.725   0.036
  345    HZ   PHE  49           HZ       PHE  49   3.691   3.217   1.923
  346    H    LYS  50           H        LYS  50   3.250  -1.653  -4.075
  347    HA   LYS  50           HA       LYS  50   1.864  -3.483  -2.439
  348   1HB   LYS  50          1HB       LYS  50   4.368  -3.624  -4.119
  349   2HB   LYS  50          2HB       LYS  50   3.842  -4.984  -3.147
  350   1HG   LYS  50          1HG       LYS  50   1.494  -4.118  -4.465
  351   2HG   LYS  50          2HG       LYS  50   2.748  -3.979  -5.681
  352   1HD   LYS  50          1HD       LYS  50   3.200  -6.460  -4.313
  353   2HD   LYS  50          2HD       LYS  50   1.482  -6.378  -4.649
  354   1HE   LYS  50          1HE       LYS  50   2.611  -5.461  -7.039
  355   2HE   LYS  50          2HE       LYS  50   3.751  -6.690  -6.527
  356   1HZ   LYS  50          1HZ       LYS  50   1.484  -7.938  -6.080
  357   2HZ   LYS  50          2HZ       LYS  50   0.999  -6.980  -7.311
  358   3HZ   LYS  50          3HZ       LYS  50   2.256  -8.002  -7.518
  359    HA   PRO  51           HA       PRO  51   4.126  -3.303   1.232
  360   1HB   PRO  51          1HB       PRO  51   4.232  -5.901   2.073
  361   2HB   PRO  51          2HB       PRO  51   2.810  -4.893   2.253
  362   1HG   PRO  51          1HG       PRO  51   3.299  -7.081   0.327
  363   2HG   PRO  51          2HG       PRO  51   1.775  -6.361   0.806
  364   1HD   PRO  51          1HD       PRO  51   3.200  -5.894  -1.639
  365   2HD   PRO  51          2HD       PRO  51   1.738  -5.088  -1.108
  366    H    LEU  52           H        LEU  52   6.154  -2.682   1.582
  367    HA   LEU  52           HA       LEU  52   8.230  -3.170   0.044
  368   1HB   LEU  52          1HB       LEU  52   8.420  -1.698   1.876
  369   2HB   LEU  52          2HB       LEU  52   8.121  -2.969   3.044
  370    HG   LEU  52           HG       LEU  52  10.586  -2.827   1.288
  371   1HD1  LEU  52          1HD1      LEU  52  10.030  -1.028   3.237
  372   2HD1  LEU  52          2HD1      LEU  52  10.839  -2.299   4.185
  373   3HD1  LEU  52          3HD1      LEU  52  11.671  -1.558   2.797
  374   1HD2  LEU  52          1HD2      LEU  52   9.514  -4.841   3.098
  375   2HD2  LEU  52          2HD2      LEU  52  10.847  -4.944   1.923
  376   3HD2  LEU  52          3HD2      LEU  52  11.151  -4.318   3.562
  377    H    GLN  53           H        GLN  53   9.744  -4.753  -0.445
  378    HA   GLN  53           HA       GLN  53   8.920  -7.367  -0.162
  379   1HB   GLN  53          1HB       GLN  53  11.292  -5.933  -1.211
  380   2HB   GLN  53          2HB       GLN  53  11.644  -7.562  -0.668
  381   1HG   GLN  53          1HG       GLN  53  10.864  -8.247  -2.694
  382   2HG   GLN  53          2HG       GLN  53   9.262  -7.927  -2.059
  383   2HE2  GLN  53          2HE2      GLN  53   8.861  -5.377  -2.004
  384   1HE2  GLN  53          1HE2      GLN  53   9.070  -4.592  -3.534
  385    H    GLU  54           H        GLU  54   8.464  -7.689   2.121
  386    HA   GLU  54           HA       GLU  54  10.175  -7.212   4.161
  387   1HB   GLU  54          1HB       GLU  54   8.791  -8.601   5.457
  388   2HB   GLU  54          2HB       GLU  54   7.735  -8.138   4.138
  389   1HG   GLU  54          1HG       GLU  54   8.556 -10.304   2.945
  390   2HG   GLU  54          2HG       GLU  54   9.217 -10.773   4.499
  391    H    ALA  55           H        ALA  55  12.241  -7.861   4.561
  392    HA   ALA  55           HA       ALA  55  12.933 -10.632   4.044
  393   1HB   ALA  55          1HB       ALA  55  15.115  -9.700   2.950
  394   2HB   ALA  55          2HB       ALA  55  13.637  -9.806   1.963
  395   3HB   ALA  55          3HB       ALA  55  14.143  -8.241   2.644
  396    H    GLU  56           H        GLU  56  14.793 -11.320   5.290
  397    HA   GLU  56           HA       GLU  56  14.947  -9.954   7.735
  398   1HB   GLU  56          1HB       GLU  56  16.297 -12.375   6.532
  399   2HB   GLU  56          2HB       GLU  56  16.915 -11.716   8.034
  400   1HG   GLU  56          1HG       GLU  56  14.359 -11.761   8.777
  401   2HG   GLU  56          2HG       GLU  56  14.193 -12.922   7.475
  402    H    CYS  57           H        CYS  57  15.821  -7.875   7.577
  403    HA   CYS  57           HA       CYS  57  18.662  -7.819   7.015
  404   1HB   CYS  57          1HB       CYS  57  16.779  -6.895   5.117
  405   2HB   CYS  57          2HB       CYS  57  17.480  -5.467   5.853
  406    H    THR  58           H        THR  58  15.745  -5.736   7.691
  407    HA   THR  58           HA       THR  58  15.438  -4.079   9.160
  408    HB   THR  58           HB       THR  58  16.860  -6.219  10.818
  409    HG1  THR  58           HG1      THR  58  14.797  -6.798   9.938
  410   1HG2  THR  58          1HG2      THR  58  16.678  -3.718  11.800
  411   2HG2  THR  58          2HG2      THR  58  14.969  -4.175  11.996
  412   3HG2  THR  58          3HG2      THR  58  16.241  -5.123  12.802
  413    H    PHE  59           H        PHE  59  16.842  -2.683   7.813
  414    HA   PHE  59           HA       PHE  59  18.520  -1.270   7.531
  415   1HB   PHE  59          1HB       PHE  59  17.364  -0.935  10.027
  416   2HB   PHE  59          2HB       PHE  59  19.027  -1.202  10.509
  417    HD1  PHE  59           HD1      PHE  59  20.815   0.278   9.318
  418    HD2  PHE  59           HD2      PHE  59  16.675   1.202   9.433
  419    HE1  PHE  59           HE1      PHE  59  21.340   2.686   8.846
  420    HE2  PHE  59           HE2      PHE  59  17.200   3.611   8.961
  421    HZ   PHE  59           HZ       PHE  59  19.526   4.324   8.673

  No H/Q in entry =         421
  Start of MODEL   20
    1    H    GLU   1           H        GLU   1   2.611  -8.654  19.213
    2    HA   GLU   1           HA       GLU   1   4.907  -8.607  20.700
    3   1HB   GLU   1          1HB       GLU   1   2.665 -10.224  20.518
    4   2HB   GLU   1          2HB       GLU   1   3.927 -11.318  19.987
    5   1HG   GLU   1          1HG       GLU   1   5.115 -10.080  22.184
    6   2HG   GLU   1          2HG       GLU   1   3.436 -10.173  22.679
    7    H    GLU   2           H        GLU   2   6.888  -8.290  19.696
    8    HA   GLU   2           HA       GLU   2   8.521  -8.542  18.247
    9   1HB   GLU   2          1HB       GLU   2   9.463 -10.898  18.223
   10   2HB   GLU   2          2HB       GLU   2   9.131 -10.257  19.819
   11   1HG   GLU   2          1HG       GLU   2   6.995 -11.489  19.922
   12   2HG   GLU   2          2HG       GLU   2   7.196 -12.043  18.271
   13    H    TYR   3           H        TYR   3   5.988  -8.313  16.898
   14    HA   TYR   3           HA       TYR   3   6.746  -9.352  14.359
   15   1HB   TYR   3          1HB       TYR   3   5.338 -11.089  16.016
   16   2HB   TYR   3          2HB       TYR   3   4.001 -10.227  15.280
   17    HD1  TYR   3           HD1      TYR   3   7.175 -11.967  14.276
   18    HD2  TYR   3           HD2      TYR   3   3.109 -11.059  13.302
   19    HE1  TYR   3           HE1      TYR   3   7.321 -13.471  12.232
   20    HE2  TYR   3           HE2      TYR   3   3.269 -12.567  11.261
   21    HH   TYR   3           HH       TYR   3   6.154 -13.601  10.008
   22    H    VAL   4           H        VAL   4   5.241  -8.611  12.625
   23    HA   VAL   4           HA       VAL   4   3.818  -6.211  13.537
   24    HB   VAL   4           HB       VAL   4   4.269  -5.271  11.395
   25   1HG1  VAL   4          1HG1      VAL   4   6.186  -5.728  13.262
   26   2HG1  VAL   4          2HG1      VAL   4   6.952  -6.458  11.831
   27   3HG1  VAL   4          3HG1      VAL   4   6.439  -4.754  11.794
   28   1HG2  VAL   4          1HG2      VAL   4   4.513  -8.005  10.564
   29   2HG2  VAL   4          2HG2      VAL   4   4.433  -6.533   9.566
   30   3HG2  VAL   4          3HG2      VAL   4   6.008  -7.138  10.135
   31    H    GLY   5           H        GLY   5   2.745  -6.238  10.592
   32   1HA   GLY   5          1HA       GLY   5   0.577  -8.185  11.115
   33   2HA   GLY   5          2HA       GLY   5   1.245  -7.889   9.523
   34    H    LEU   6           H        LEU   6   1.440  -4.920  11.022
   35    HA   LEU   6           HA       LEU   6  -1.263  -4.187  10.129
   36   1HB   LEU   6          1HB       LEU   6  -1.145  -2.351  11.756
   37   2HB   LEU   6          2HB       LEU   6  -1.135  -3.943  12.488
   38    HG   LEU   6           HG       LEU   6   1.582  -3.076  12.078
   39   1HD1  LEU   6          1HD1      LEU   6  -0.299  -0.991  12.992
   40   2HD1  LEU   6          2HD1      LEU   6   1.141  -1.225  14.013
   41   3HD1  LEU   6          3HD1      LEU   6   1.328  -0.851  12.282
   42   1HD2  LEU   6          1HD2      LEU   6   0.733  -4.785  13.685
   43   2HD2  LEU   6          2HD2      LEU   6   1.804  -3.565  14.414
   44   3HD2  LEU   6          3HD2      LEU   6   0.044  -3.463  14.657
   45    H    SER   7           H        SER   7  -1.456  -2.036   9.118
   46    HA   SER   7           HA       SER   7   0.388  -1.707   7.128
   47   1HB   SER   7          1HB       SER   7  -0.776   0.401   6.637
   48   2HB   SER   7          2HB       SER   7  -1.935  -0.842   7.061
   49    HG   SER   7           HG       SER   7  -2.449   1.116   8.160
   50    H    ALA   8           H        ALA   8   2.494  -1.029   7.241
   51    HA   ALA   8           HA       ALA   8   3.387   1.349   8.088
   52   1HB   ALA   8          1HB       ALA   8   2.950  -0.497  10.401
   53   2HB   ALA   8          2HB       ALA   8   2.878   1.280  10.328
   54   3HB   ALA   8          3HB       ALA   8   4.454   0.455  10.390
   55    H    ASN   9           H        ASN   9   4.866  -1.533   9.601
   56    HA   ASN   9           HA       ASN   9   7.282  -1.239   8.512
   57   1HB   ASN   9          1HB       ASN   9   6.134  -3.103  10.137
   58   2HB   ASN   9          2HB       ASN   9   6.260  -4.072   8.682
   59   2HD2  ASN   9          2HD2      ASN   9   8.062  -2.018  10.920
   60   1HD2  ASN   9          1HD2      ASN   9   9.616  -2.755  10.713
   61    H    GLN  10           H        GLN  10   4.555  -3.293   7.234
   62    HA   GLN  10           HA       GLN  10   5.927  -4.124   4.966
   63   1HB   GLN  10          1HB       GLN  10   3.613  -4.735   4.134
   64   2HB   GLN  10          2HB       GLN  10   4.009  -5.372   5.717
   65   1HG   GLN  10          1HG       GLN  10   2.898  -2.864   6.305
   66   2HG   GLN  10          2HG       GLN  10   1.934  -3.414   4.949
   67   2HE2  GLN  10          2HE2      GLN  10   3.455  -4.800   7.862
   68   1HE2  GLN  10          1HE2      GLN  10   2.092  -5.721   8.404
   69    H    CYS  11           H        CYS  11   4.151  -1.172   5.768
   70    HA   CYS  11           HA       CYS  11   4.415  -0.329   2.975
   71   1HB   CYS  11          1HB       CYS  11   2.704   1.199   4.869
   72   2HB   CYS  11          2HB       CYS  11   2.529   0.943   3.144
   73    H    ALA  12           H        ALA  12   6.740  -0.377   4.512
   74    HA   ALA  12           HA       ALA  12   7.046   2.429   5.338
   75   1HB   ALA  12          1HB       ALA  12   9.000   0.319   6.168
   76   2HB   ALA  12          2HB       ALA  12   7.391   0.289   6.927
   77   3HB   ALA  12          3HB       ALA  12   8.409   1.742   7.058
   78    H    VAL  13           H        VAL  13   7.056   2.033   2.636
   79    HA   VAL  13           HA       VAL  13   9.796   1.521   1.827
   80    HB   VAL  13           HB       VAL  13   7.800   2.465  -0.129
   81   1HG1  VAL  13          1HG1      VAL  13  10.084   0.610   0.048
   82   2HG1  VAL  13          2HG1      VAL  13   8.740   0.026  -0.962
   83   3HG1  VAL  13          3HG1      VAL  13   9.504   1.594  -1.317
   84   1HG2  VAL  13          1HG2      VAL  13   7.345   0.001   1.554
   85   2HG2  VAL  13          2HG2      VAL  13   6.190   1.270   1.080
   86   3HG2  VAL  13          3HG2      VAL  13   6.765   0.095  -0.126
   87    HA   PRO  14           HA       PRO  14  10.826   5.717   1.703
   88   1HB   PRO  14          1HB       PRO  14  12.905   5.695  -0.070
   89   2HB   PRO  14          2HB       PRO  14  13.075   5.235   1.612
   90   1HG   PRO  14          1HG       PRO  14  12.994   3.505  -0.784
   91   2HG   PRO  14          2HG       PRO  14  13.577   3.126   0.825
   92   1HD   PRO  14          1HD       PRO  14  11.082   2.310  -0.332
   93   2HD   PRO  14          2HD       PRO  14  11.616   2.031   1.314
   94    H    ALA  15           H        ALA  15   9.159   4.256  -0.644
   95    HA   ALA  15           HA       ALA  15   7.719   5.247  -2.069
   96   1HB   ALA  15          1HB       ALA  15   9.255   7.802  -2.310
   97   2HB   ALA  15          2HB       ALA  15   7.499   7.528  -2.209
   98   3HB   ALA  15          3HB       ALA  15   8.497   7.458  -0.737
   99    H    LYS  16           H        LYS  16  11.199   5.142  -2.268
  100    HA   LYS  16           HA       LYS  16  11.150   5.355  -5.167
  101   1HB   LYS  16          1HB       LYS  16  13.599   5.271  -4.973
  102   2HB   LYS  16          2HB       LYS  16  12.903   6.559  -4.010
  103   1HG   LYS  16          1HG       LYS  16  14.603   5.414  -2.677
  104   2HG   LYS  16          2HG       LYS  16  13.030   5.093  -1.976
  105   1HD   LYS  16          1HD       LYS  16  13.007   2.854  -2.683
  106   2HD   LYS  16          2HD       LYS  16  14.072   3.157  -4.041
  107   1HE   LYS  16          1HE       LYS  16  15.993   2.936  -2.771
  108   2HE   LYS  16          2HE       LYS  16  15.274   3.673  -1.353
  109   1HZ   LYS  16          1HZ       LYS  16  13.881   1.392  -1.643
  110   2HZ   LYS  16          2HZ       LYS  16  15.384   0.932  -2.085
  111   3HZ   LYS  16          3HZ       LYS  16  15.135   1.606  -0.618
  112    H    ASP  17           H        ASP  17  10.148   3.075  -3.108
  113    HA   ASP  17           HA       ASP  17  11.239   0.970  -4.798
  114   1HB   ASP  17          1HB       ASP  17  11.509   1.287  -1.936
  115   2HB   ASP  17          2HB       ASP  17  10.476  -0.099  -2.228
  116    H    ARG  18           H        ARG  18   8.676   2.717  -4.626
  117    HA   ARG  18           HA       ARG  18   6.669   0.976  -3.687
  118   1HB   ARG  18          1HB       ARG  18   6.272   3.305  -5.617
  119   2HB   ARG  18          2HB       ARG  18   5.116   2.671  -4.462
  120   1HG   ARG  18          1HG       ARG  18   7.776   3.781  -3.507
  121   2HG   ARG  18          2HG       ARG  18   6.449   4.866  -3.873
  122   1HD   ARG  18          1HD       ARG  18   5.190   2.926  -2.319
  123   2HD   ARG  18          2HD       ARG  18   6.780   2.998  -1.587
  124    HE   ARG  18           HE       ARG  18   5.523   5.620  -2.105
  125   1HH1  ARG  18          1HH1      ARG  18   6.095   3.037   0.216
  126   2HH1  ARG  18          2HH1      ARG  18   5.768   4.032   1.596
  127   1HH2  ARG  18          1HH2      ARG  18   5.091   6.932  -0.285
  128   2HH2  ARG  18          2HH2      ARG  18   5.193   6.262   1.309
  129    H    VAL  19           H        VAL  19   5.625  -0.667  -4.800
  130    HA   VAL  19           HA       VAL  19   6.433  -1.095  -7.553
  131    HB   VAL  19           HB       VAL  19   4.858  -2.773  -5.590
  132   1HG1  VAL  19          1HG1      VAL  19   5.812  -3.337  -8.408
  133   2HG1  VAL  19          2HG1      VAL  19   5.403  -4.626  -7.250
  134   3HG1  VAL  19          3HG1      VAL  19   4.161  -3.455  -7.752
  135   1HG2  VAL  19          1HG2      VAL  19   7.316  -2.313  -5.097
  136   2HG2  VAL  19          2HG2      VAL  19   6.840  -4.024  -5.223
  137   3HG2  VAL  19          3HG2      VAL  19   7.684  -3.232  -6.576
  138    H    ASP  20           H        ASP  20   4.117   0.721  -5.995
  139    HA   ASP  20           HA       ASP  20   2.066   1.363  -6.431
  140   1HB   ASP  20          1HB       ASP  20   3.129   2.685  -8.107
  141   2HB   ASP  20          2HB       ASP  20   3.429   1.301  -9.139
  142    H    CYS  21           H        CYS  21   0.764  -0.499  -5.851
  143    HA   CYS  21           HA       CYS  21   0.465  -2.711  -7.542
  144   1HB   CYS  21          1HB       CYS  21  -1.802  -2.708  -6.002
  145   2HB   CYS  21          2HB       CYS  21  -0.266  -3.440  -5.582
  146    H    GLY  22           H        GLY  22  -0.668   0.546  -7.680
  147   1HA   GLY  22          1HA       GLY  22  -2.157   0.081 -10.057
  148   2HA   GLY  22          2HA       GLY  22  -1.979   1.592  -9.187
  149    H    TYR  23           H        TYR  23  -3.641   2.342  -7.870
  150    HA   TYR  23           HA       TYR  23  -6.048   0.687  -7.870
  151   1HB   TYR  23          1HB       TYR  23  -4.405   1.826  -5.566
  152   2HB   TYR  23          2HB       TYR  23  -6.146   1.776  -5.373
  153    HD1  TYR  23           HD1      TYR  23  -7.318  -0.512  -5.675
  154    HD2  TYR  23           HD2      TYR  23  -3.097  -0.080  -5.120
  155    HE1  TYR  23           HE1      TYR  23  -7.159  -2.939  -4.935
  156    HE2  TYR  23           HE2      TYR  23  -2.953  -2.509  -4.383
  157    HH   TYR  23           HH       TYR  23  -5.750  -4.625  -4.593
  158    HA   PRO  24           HA       PRO  24  -7.825   4.535  -8.761
  159   1HB   PRO  24          1HB       PRO  24 -10.464   3.959  -8.346
  160   2HB   PRO  24          2HB       PRO  24  -9.611   3.539  -9.818
  161   1HG   PRO  24          1HG       PRO  24 -10.437   1.782  -7.589
  162   2HG   PRO  24          2HG       PRO  24  -9.980   1.341  -9.222
  163   1HD   PRO  24          1HD       PRO  24  -8.371   1.084  -6.862
  164   2HD   PRO  24          2HD       PRO  24  -7.875   0.753  -8.509
  165    H    HIS  25           H        HIS  25 -10.144   3.571  -6.336
  166    HA   HIS  25           HA       HIS  25  -9.681   6.076  -5.022
  167   1HB   HIS  25          1HB       HIS  25 -11.617   5.558  -3.736
  168   2HB   HIS  25          2HB       HIS  25 -11.946   5.114  -5.399
  169    HD1  HIS  25           HD1      HIS  25 -13.584   3.857  -3.103
  170    HD2  HIS  25           HD2      HIS  25 -10.139   2.118  -4.747
  171    HE1  HIS  25           HE1      HIS  25 -13.733   1.360  -2.599
  172    HE2  HIS  25           HE2      HIS  25 -11.617   0.337  -3.681
  173    H    VAL  26           H        VAL  26  -7.458   5.800  -4.333
  174    HA   VAL  26           HA       VAL  26  -6.992   3.676  -2.404
  175    HB   VAL  26           HB       VAL  26  -4.663   4.541  -2.490
  176   1HG1  VAL  26          1HG1      VAL  26  -6.026   3.730  -5.073
  177   2HG1  VAL  26          2HG1      VAL  26  -4.258   3.838  -4.894
  178   3HG1  VAL  26          3HG1      VAL  26  -5.185   2.691  -3.897
  179   1HG2  VAL  26          1HG2      VAL  26  -5.402   6.899  -3.148
  180   2HG2  VAL  26          2HG2      VAL  26  -3.980   6.238  -3.990
  181   3HG2  VAL  26          3HG2      VAL  26  -5.562   6.270  -4.805
  182    H    THR  27           H        THR  27  -6.720   3.998  -0.203
  183    HA   THR  27           HA       THR  27  -6.543   6.694   0.821
  184    HB   THR  27           HB       THR  27  -8.672   6.758   1.858
  185    HG1  THR  27           HG1      THR  27  -9.856   4.613   1.977
  186   1HG2  THR  27          1HG2      THR  27  -9.107   5.060  -0.656
  187   2HG2  THR  27          2HG2      THR  27 -10.396   5.909   0.231
  188   3HG2  THR  27          3HG2      THR  27  -9.116   6.838  -0.586
  189    HA   PRO  28           HA       PRO  28  -4.586   4.692   4.076
  190   1HB   PRO  28          1HB       PRO  28  -5.286   6.100   6.311
  191   2HB   PRO  28          2HB       PRO  28  -4.087   6.660   5.163
  192   1HG   PRO  28          1HG       PRO  28  -6.865   7.595   5.545
  193   2HG   PRO  28          2HG       PRO  28  -5.540   8.397   4.726
  194   1HD   PRO  28          1HD       PRO  28  -7.745   7.036   3.496
  195   2HD   PRO  28          2HD       PRO  28  -6.361   7.738   2.682
  196    H    LYS  29           H        LYS  29  -6.927   3.363   3.252
  197    HA   LYS  29           HA       LYS  29  -7.154   1.553   5.339
  198   1HB   LYS  29          1HB       LYS  29  -8.412   3.659   6.261
  199   2HB   LYS  29          2HB       LYS  29  -9.697   3.151   5.184
  200   1HG   LYS  29          1HG       LYS  29  -8.593   0.884   6.708
  201   2HG   LYS  29          2HG       LYS  29  -9.188   2.148   7.766
  202   1HD   LYS  29          1HD       LYS  29 -10.847   1.129   5.425
  203   2HD   LYS  29          2HD       LYS  29 -10.879   0.327   6.983
  204   1HE   LYS  29          1HE       LYS  29 -12.458   1.828   7.626
  205   2HE   LYS  29          2HE       LYS  29 -11.199   3.047   7.638
  206   1HZ   LYS  29          1HZ       LYS  29 -11.680   3.236   5.180
  207   2HZ   LYS  29          2HZ       LYS  29 -13.056   2.407   5.474
  208   3HZ   LYS  29          3HZ       LYS  29 -12.800   3.847   6.201
  209    H    GLU  30           H        GLU  30  -8.766   3.194   2.571
  210    HA   GLU  30           HA       GLU  30 -10.095   0.816   1.799
  211   1HB   GLU  30          1HB       GLU  30 -10.961   3.107   1.303
  212   2HB   GLU  30          2HB       GLU  30  -9.596   3.392   0.241
  213   1HG   GLU  30          1HG       GLU  30 -10.600   2.286  -1.469
  214   2HG   GLU  30          2HG       GLU  30 -10.865   0.869  -0.473
  215    H    CYS  31           H        CYS  31  -7.068   2.527   0.907
  216    HA   CYS  31           HA       CYS  31  -6.536   0.858  -1.317
  217   1HB   CYS  31          1HB       CYS  31  -5.464   2.862  -1.520
  218   2HB   CYS  31          2HB       CYS  31  -5.090   2.978   0.188
  219    H    ASN  32           H        ASN  32  -6.043   0.754   2.192
  220    HA   ASN  32           HA       ASN  32  -4.130  -1.374   1.957
  221   1HB   ASN  32          1HB       ASN  32  -5.477  -0.434   4.527
  222   2HB   ASN  32          2HB       ASN  32  -3.903  -1.184   4.355
  223   2HD2  ASN  32          2HD2      ASN  32  -2.294   0.137   4.647
  224   1HD2  ASN  32          1HD2      ASN  32  -2.211   1.815   4.224
  225    H    ASN  33           H        ASN  33  -7.473  -1.023   1.721
  226    HA   ASN  33           HA       ASN  33  -8.054  -3.464   3.166
  227   1HB   ASN  33          1HB       ASN  33  -9.609  -1.598   3.558
  228   2HB   ASN  33          2HB       ASN  33  -9.832  -1.356   1.837
  229   2HD2  ASN  33          2HD2      ASN  33 -11.334  -2.460   0.765
  230   1HD2  ASN  33          1HD2      ASN  33 -12.342  -3.708   1.419
  231    H    ARG  34           H        ARG  34  -8.176  -1.885  -0.083
  232    HA   ARG  34           HA       ARG  34  -9.481  -3.837  -1.455
  233   1HB   ARG  34          1HB       ARG  34  -8.328  -1.442  -2.105
  234   2HB   ARG  34          2HB       ARG  34  -7.155  -2.523  -2.832
  235   1HG   ARG  34          1HG       ARG  34  -8.997  -1.865  -4.415
  236   2HG   ARG  34          2HG       ARG  34  -8.872  -3.599  -4.194
  237   1HD   ARG  34          1HD       ARG  34 -10.680  -2.294  -2.233
  238   2HD   ARG  34          2HD       ARG  34 -11.205  -2.104  -3.894
  239    HE   ARG  34           HE       ARG  34 -11.169  -4.580  -2.361
  240   1HH1  ARG  34          1HH1      ARG  34 -10.969  -3.259  -5.616
  241   2HH1  ARG  34          2HH1      ARG  34 -11.535  -4.708  -6.377
  242   1HH2  ARG  34          1HH2      ARG  34 -11.915  -6.493  -3.364
  243   2HH2  ARG  34          2HH2      ARG  34 -12.077  -6.560  -5.088
  244    H    GLY  35           H        GLY  35  -6.247  -3.815  -0.084
  245   1HA   GLY  35          1HA       GLY  35  -5.675  -6.389  -1.427
  246   2HA   GLY  35          2HA       GLY  35  -5.265  -6.015   0.235
  247    H    CYS  36           H        CYS  36  -3.788  -4.027   0.575
  248    HA   CYS  36           HA       CYS  36  -1.414  -4.425  -0.706
  249   1HB   CYS  36          1HB       CYS  36  -3.077  -3.175  -2.513
  250   2HB   CYS  36          2HB       CYS  36  -2.203  -1.826  -1.814
  251    H    CYS  37           H        CYS  37  -0.602  -1.534  -0.741
  252    HA   CYS  37           HA       CYS  37  -1.119  -0.893   2.070
  253   1HB   CYS  37          1HB       CYS  37   1.475  -1.143   0.615
  254   2HB   CYS  37          2HB       CYS  37   1.323   0.130   1.810
  255    H    PHE  38           H        PHE  38  -1.165   1.426   2.525
  256    HA   PHE  38           HA       PHE  38  -1.492   3.022   0.082
  257   1HB   PHE  38          1HB       PHE  38  -3.591   2.671   1.365
  258   2HB   PHE  38          2HB       PHE  38  -2.784   3.065   2.870
  259    HD1  PHE  38           HD1      PHE  38  -4.047   4.474  -0.295
  260    HD2  PHE  38           HD2      PHE  38  -2.521   5.326   3.572
  261    HE1  PHE  38           HE1      PHE  38  -4.738   6.873  -0.551
  262    HE2  PHE  38           HE2      PHE  38  -3.212   7.726   3.316
  263    HZ   PHE  38           HZ       PHE  38  -4.312   8.471   1.257
  264    H    ASP  39           H        ASP  39  -1.295   5.518   0.689
  265    HA   ASP  39           HA       ASP  39   0.344   6.213   2.810
  266   1HB   ASP  39          1HB       ASP  39   2.173   5.090   1.715
  267   2HB   ASP  39          2HB       ASP  39   1.710   5.706   0.141
  268    H    SER  40           H        SER  40   0.497   8.554   2.881
  269    HA   SER  40           HA       SER  40  -0.457   9.909   0.493
  270   1HB   SER  40          1HB       SER  40  -1.912  11.355   1.856
  271   2HB   SER  40          2HB       SER  40  -2.373   9.674   2.039
  272    HG   SER  40           HG       SER  40  -2.317  10.643   4.107
  273    H    ARG  41           H        ARG  41   2.162   9.406   2.187
  274    HA   ARG  41           HA       ARG  41   2.853  11.799   3.361
  275   1HB   ARG  41          1HB       ARG  41   4.022   9.368   3.223
  276   2HB   ARG  41          2HB       ARG  41   4.957  10.142   1.960
  277   1HG   ARG  41          1HG       ARG  41   5.146  12.093   3.830
  278   2HG   ARG  41          2HG       ARG  41   4.883  10.737   4.909
  279   1HD   ARG  41          1HD       ARG  41   6.792   9.516   3.783
  280   2HD   ARG  41          2HD       ARG  41   7.081  10.932   2.792
  281    HE   ARG  41           HE       ARG  41   7.029  11.630   5.608
  282   1HH1  ARG  41          1HH1      ARG  41   9.056  10.204   3.110
  283   2HH1  ARG  41          2HH1      ARG  41  10.541  10.623   3.897
  284   1HH2  ARG  41          1HH2      ARG  41   8.988  12.183   6.647
  285   2HH2  ARG  41          2HH2      ARG  41  10.502  11.756   5.923
  286    H    ILE  42           H        ILE  42   3.416  10.516   0.014
  287    HA   ILE  42           HA       ILE  42   3.656  13.268  -0.903
  288    HB   ILE  42           HB       ILE  42   5.591  12.029  -2.391
  289   1HG1  ILE  42          1HG1      ILE  42   7.151  11.011  -0.746
  290   2HG1  ILE  42          2HG1      ILE  42   5.891  11.069   0.470
  291   1HG2  ILE  42          1HG2      ILE  42   5.570  13.939  -0.094
  292   2HG2  ILE  42          2HG2      ILE  42   7.134  13.325  -0.678
  293   3HG2  ILE  42          3HG2      ILE  42   6.045  14.186  -1.791
  294   1HD1  ILE  42          1HD1      ILE  42   4.979   9.835  -2.057
  295   2HD1  ILE  42          2HD1      ILE  42   6.327   8.963  -1.289
  296   3HD1  ILE  42          3HD1      ILE  42   4.820   9.248  -0.385
  297    HA   PRO  43           HA       PRO  43   1.076  11.493  -3.902
  298   1HB   PRO  43          1HB       PRO  43   0.758  13.679  -5.511
  299   2HB   PRO  43          2HB       PRO  43  -0.180  13.418  -4.054
  300   1HG   PRO  43          1HG       PRO  43   2.060  15.294  -4.504
  301   2HG   PRO  43          2HG       PRO  43   0.854  15.309  -3.233
  302   1HD   PRO  43          1HD       PRO  43   3.580  14.448  -3.002
  303   2HD   PRO  43          2HD       PRO  43   2.343  14.355  -1.764
  304    H    GLY  44           H        GLY  44   3.951  13.230  -4.864
  305   1HA   GLY  44          1HA       GLY  44   5.563  12.554  -6.311
  306   2HA   GLY  44          2HA       GLY  44   4.244  12.651  -7.461
  307    H    VAL  45           H        VAL  45   4.856  10.324  -4.739
  308    HA   VAL  45           HA       VAL  45   5.364   8.221  -6.660
  309    HB   VAL  45           HB       VAL  45   6.310   7.092  -4.943
  310   1HG1  VAL  45          1HG1      VAL  45   6.994   9.692  -5.013
  311   2HG1  VAL  45          2HG1      VAL  45   6.441   9.590  -3.325
  312   3HG1  VAL  45          3HG1      VAL  45   7.744   8.523  -3.900
  313   1HG2  VAL  45          1HG2      VAL  45   4.090   8.223  -3.261
  314   2HG2  VAL  45          2HG2      VAL  45   4.561   6.529  -3.535
  315   3HG2  VAL  45          3HG2      VAL  45   5.546   7.566  -2.475
  316    HA   PRO  46           HA       PRO  46   1.454   6.388  -6.406
  317   1HB   PRO  46          1HB       PRO  46   1.909   3.707  -6.133
  318   2HB   PRO  46          2HB       PRO  46   2.068   4.555  -7.658
  319   1HG   PRO  46          1HG       PRO  46   4.193   3.565  -5.858
  320   2HG   PRO  46          2HG       PRO  46   4.308   4.020  -7.547
  321   1HD   PRO  46          1HD       PRO  46   5.180   5.561  -5.291
  322   2HD   PRO  46          2HD       PRO  46   5.188   6.064  -6.969
  323    H    TRP  47           H        TRP  47   0.532   7.413  -4.631
  324    HA   TRP  47           HA       TRP  47   0.922   7.046  -2.063
  325   1HB   TRP  47          1HB       TRP  47  -1.559   7.366  -3.664
  326   2HB   TRP  47          2HB       TRP  47  -1.758   6.925  -1.979
  327    HD1  TRP  47           HD1      TRP  47   1.142   9.267  -2.926
  328    HE1  TRP  47           HE1      TRP  47   0.767  11.698  -1.967
  329    HE3  TRP  47           HE3      TRP  47  -3.622   8.473  -1.334
  330    HZ2  TRP  47           HZ2      TRP  47  -1.430  12.986  -0.680
  331    HZ3  TRP  47           HZ3      TRP  47  -4.811  10.370  -0.237
  332    HH2  TRP  47           HH2      TRP  47  -3.791  12.565   0.099
  333    H    CYS  48           H        CYS  48  -1.016   4.754  -4.116
  334    HA   CYS  48           HA       CYS  48  -0.935   2.834  -1.948
  335   1HB   CYS  48          1HB       CYS  48  -2.989   3.411  -3.424
  336   2HB   CYS  48          2HB       CYS  48  -2.228   2.387  -4.626
  337    H    PHE  49           H        PHE  49   0.554   1.169  -1.912
  338    HA   PHE  49           HA       PHE  49   1.705   0.283  -4.416
  339   1HB   PHE  49          1HB       PHE  49   4.023   0.535  -3.244
  340   2HB   PHE  49          2HB       PHE  49   3.283   2.025  -3.794
  341    HD1  PHE  49           HD1      PHE  49   3.485  -0.131  -0.756
  342    HD2  PHE  49           HD2      PHE  49   3.101   3.797  -2.316
  343    HE1  PHE  49           HE1      PHE  49   3.648   0.807   1.566
  344    HE2  PHE  49           HE2      PHE  49   3.264   4.735   0.007
  345    HZ   PHE  49           HZ       PHE  49   3.536   3.229   1.920
  346    H    LYS  50           H        LYS  50   3.165  -1.687  -4.028
  347    HA   LYS  50           HA       LYS  50   1.761  -3.481  -2.350
  348   1HB   LYS  50          1HB       LYS  50   4.426  -3.935  -3.713
  349   2HB   LYS  50          2HB       LYS  50   3.260  -5.142  -3.211
  350   1HG   LYS  50          1HG       LYS  50   1.579  -4.052  -4.807
  351   2HG   LYS  50          2HG       LYS  50   2.888  -3.049  -5.400
  352   1HD   LYS  50          1HD       LYS  50   2.966  -4.827  -6.923
  353   2HD   LYS  50          2HD       LYS  50   4.160  -5.342  -5.748
  354   1HE   LYS  50          1HE       LYS  50   2.764  -6.995  -4.835
  355   2HE   LYS  50          2HE       LYS  50   1.292  -6.156  -5.280
  356   1HZ   LYS  50          1HZ       LYS  50   2.981  -7.029  -7.451
  357   2HZ   LYS  50          2HZ       LYS  50   2.205  -8.200  -6.619
  358   3HZ   LYS  50          3HZ       LYS  50   1.352  -7.010  -7.342
  359    HA   PRO  51           HA       PRO  51   4.097  -3.269   1.272
  360   1HB   PRO  51          1HB       PRO  51   4.192  -5.854   2.153
  361   2HB   PRO  51          2HB       PRO  51   2.785  -4.828   2.344
  362   1HG   PRO  51          1HG       PRO  51   3.212  -7.052   0.444
  363   2HG   PRO  51          2HG       PRO  51   1.706  -6.307   0.942
  364   1HD   PRO  51          1HD       PRO  51   3.087  -5.895  -1.538
  365   2HD   PRO  51          2HD       PRO  51   1.644  -5.065  -0.992
  366    H    LEU  52           H        LEU  52   6.139  -2.681   1.599
  367    HA   LEU  52           HA       LEU  52   8.179  -3.228   0.013
  368   1HB   LEU  52          1HB       LEU  52   8.384  -1.699   1.815
  369   2HB   LEU  52          2HB       LEU  52   8.159  -2.957   3.014
  370    HG   LEU  52           HG       LEU  52  10.545  -2.789   1.153
  371   1HD1  LEU  52          1HD1      LEU  52  10.104  -0.934   3.002
  372   2HD1  LEU  52          2HD1      LEU  52  10.777  -2.191   4.067
  373   3HD1  LEU  52          3HD1      LEU  52  11.729  -1.590   2.688
  374   1HD2  LEU  52          1HD2      LEU  52   9.592  -4.805   3.033
  375   2HD2  LEU  52          2HD2      LEU  52  10.857  -4.902   1.785
  376   3HD2  LEU  52          3HD2      LEU  52  11.245  -4.255   3.398
  377    H    GLN  53           H        GLN  53   9.721  -4.826  -0.397
  378    HA   GLN  53           HA       GLN  53   8.857  -7.430  -0.016
  379   1HB   GLN  53          1HB       GLN  53  11.214  -6.060  -1.185
  380   2HB   GLN  53          2HB       GLN  53  11.556  -7.676  -0.601
  381   1HG   GLN  53          1HG       GLN  53  10.718  -8.393  -2.597
  382   2HG   GLN  53          2HG       GLN  53   9.141  -8.069  -1.906
  383   2HE2  GLN  53          2HE2      GLN  53   8.758  -5.501  -1.873
  384   1HE2  GLN  53          1HE2      GLN  53   8.890  -4.753  -3.430
  385    H    GLU  54           H        GLU  54   8.462  -7.546   2.327
  386    HA   GLU  54           HA       GLU  54  10.355  -7.067   4.230
  387   1HB   GLU  54          1HB       GLU  54   8.992  -8.444   5.706
  388   2HB   GLU  54          2HB       GLU  54   7.932  -7.541   4.642
  389   1HG   GLU  54          1HG       GLU  54   6.966  -9.541   4.144
  390   2HG   GLU  54          2HG       GLU  54   8.386  -9.858   3.167
  391    H    ALA  55           H        ALA  55  12.439  -7.825   4.172
  392    HA   ALA  55           HA       ALA  55  12.751 -10.728   3.993
  393   1HB   ALA  55          1HB       ALA  55  14.079 -10.656   2.159
  394   2HB   ALA  55          2HB       ALA  55  14.894  -9.167   2.693
  395   3HB   ALA  55          3HB       ALA  55  13.323  -9.073   1.860
  396    H    GLU  56           H        GLU  56  14.251 -11.549   5.443
  397    HA   GLU  56           HA       GLU  56  14.958  -9.904   7.562
  398   1HB   GLU  56          1HB       GLU  56  14.951 -12.668   6.985
  399   2HB   GLU  56          2HB       GLU  56  16.628 -12.303   7.342
  400   1HG   GLU  56          1HG       GLU  56  15.749 -12.756   9.481
  401   2HG   GLU  56          2HG       GLU  56  15.694 -11.005   9.420
  402    H    CYS  57           H        CYS  57  16.630  -8.483   7.815
  403    HA   CYS  57           HA       CYS  57  18.426  -8.023   5.734
  404   1HB   CYS  57          1HB       CYS  57  19.533  -6.485   7.297
  405   2HB   CYS  57          2HB       CYS  57  17.799  -6.251   7.212
  406    H    THR  58           H        THR  58  20.949  -7.999   6.229
  407    HA   THR  58           HA       THR  58  22.697  -9.429   6.226
  408    HB   THR  58           HB       THR  58  22.912  -8.349   8.388
  409    HG1  THR  58           HG1      THR  58  24.274 -10.016   8.896
  410   1HG2  THR  58          1HG2      THR  58  20.964 -10.485   9.407
  411   2HG2  THR  58          2HG2      THR  58  21.835  -9.315  10.426
  412   3HG2  THR  58          3HG2      THR  58  20.604  -8.747   9.273
  413    H    PHE  59           H        PHE  59  21.353 -10.894   4.758
  414    HA   PHE  59           HA       PHE  59  20.721 -12.921   4.160
  415   1HB   PHE  59          1HB       PHE  59  22.779 -13.271   6.348
  416   2HB   PHE  59          2HB       PHE  59  21.888 -14.717   5.914
  417    HD1  PHE  59           HD1      PHE  59  24.183 -12.129   4.644
  418    HD2  PHE  59           HD2      PHE  59  22.301 -15.849   3.852
  419    HE1  PHE  59           HE1      PHE  59  25.721 -12.492   2.695
  420    HE2  PHE  59           HE2      PHE  59  23.839 -16.212   1.903
  421    HZ   PHE  59           HZ       PHE  59  25.531 -14.530   1.347

  No H/Q in entry =         421
  Start of MODEL   21
    1    H    GLU   1           H        GLU   1   8.413 -11.039  21.096
    2    HA   GLU   1           HA       GLU   1   6.972 -11.643  23.476
    3   1HB   GLU   1          1HB       GLU   1   7.521  -8.798  22.654
    4   2HB   GLU   1          2HB       GLU   1   5.936  -9.175  23.298
    5   1HG   GLU   1          1HG       GLU   1   6.869  -8.935  25.360
    6   2HG   GLU   1          2HG       GLU   1   7.619 -10.495  25.086
    7    H    GLU   2           H        GLU   2   6.789  -9.697  20.404
    8    HA   GLU   2           HA       GLU   2   4.892 -11.537  19.369
    9   1HB   GLU   2          1HB       GLU   2   3.026  -9.972  19.103
   10   2HB   GLU   2          2HB       GLU   2   3.419 -10.136  20.802
   11   1HG   GLU   2          1HG       GLU   2   4.867  -8.035  20.577
   12   2HG   GLU   2          2HG       GLU   2   4.223  -7.840  18.959
   13    H    TYR   3           H        TYR   3   3.868 -10.148  17.218
   14    HA   TYR   3           HA       TYR   3   6.269  -9.002  15.957
   15   1HB   TYR   3          1HB       TYR   3   4.897 -11.422  15.445
   16   2HB   TYR   3          2HB       TYR   3   4.152 -10.326  14.298
   17    HD1  TYR   3           HD1      TYR   3   5.492  -9.292  12.490
   18    HD2  TYR   3           HD2      TYR   3   7.199 -12.141  15.187
   19    HE1  TYR   3           HE1      TYR   3   7.455  -9.624  10.909
   20    HE2  TYR   3           HE2      TYR   3   9.156 -12.463  13.596
   21    HH   TYR   3           HH       TYR   3   9.258 -12.019  10.755
   22    H    VAL   4           H        VAL   4   5.792  -7.530  14.104
   23    HA   VAL   4           HA       VAL   4   3.105  -6.396  14.204
   24    HB   VAL   4           HB       VAL   4   5.694  -4.996  14.813
   25   1HG1  VAL   4          1HG1      VAL   4   4.612  -3.789  12.932
   26   2HG1  VAL   4          2HG1      VAL   4   3.135  -3.629  13.913
   27   3HG1  VAL   4          3HG1      VAL   4   4.641  -2.838  14.437
   28   1HG2  VAL   4          1HG2      VAL   4   3.761  -5.941  16.461
   29   2HG2  VAL   4          2HG2      VAL   4   4.777  -4.527  16.833
   30   3HG2  VAL   4          3HG2      VAL   4   3.144  -4.298  16.162
   31    H    GLY   5           H        GLY   5   2.357  -6.506  12.156
   32   1HA   GLY   5          1HA       GLY   5   3.071  -7.250   9.899
   33   2HA   GLY   5          2HA       GLY   5   4.299  -6.002   9.980
   34    H    LEU   6           H        LEU   6   1.644  -4.818  11.687
   35    HA   LEU   6           HA       LEU   6   0.646  -3.476   9.271
   36   1HB   LEU   6          1HB       LEU   6  -1.492  -3.322  10.835
   37   2HB   LEU   6          2HB       LEU   6  -1.219  -4.634   9.706
   38    HG   LEU   6           HG       LEU   6  -2.031  -5.366  11.935
   39   1HD1  LEU   6          1HD1      LEU   6   0.145  -6.432  10.407
   40   2HD1  LEU   6          2HD1      LEU   6   0.408  -6.794  12.130
   41   3HD1  LEU   6          3HD1      LEU   6  -1.107  -7.289  11.337
   42   1HD2  LEU   6          1HD2      LEU   6   0.369  -3.873  12.823
   43   2HD2  LEU   6          2HD2      LEU   6  -1.187  -4.154  13.641
   44   3HD2  LEU   6          3HD2      LEU   6   0.058  -5.426  13.636
   45    H    SER   7           H        SER   7   2.737  -2.236  10.178
   46    HA   SER   7           HA       SER   7   1.594  -0.086  11.753
   47   1HB   SER   7          1HB       SER   7   3.668   0.108  13.091
   48   2HB   SER   7          2HB       SER   7   2.894  -1.443  13.341
   49    HG   SER   7           HG       SER   7   5.378  -0.842  12.180
   50    H    ALA   8           H        ALA   8   4.281  -1.323   9.676
   51    HA   ALA   8           HA       ALA   8   4.133   0.719   7.837
   52   1HB   ALA   8          1HB       ALA   8   5.637   1.414  10.281
   53   2HB   ALA   8          2HB       ALA   8   6.560   1.643   8.776
   54   3HB   ALA   8          3HB       ALA   8   4.996   2.465   8.995
   55    H    ASN   9           H        ASN   9   6.213  -1.530   9.711
   56    HA   ASN   9           HA       ASN   9   8.289  -1.966   8.200
   57   1HB   ASN   9          1HB       ASN   9   6.380  -4.058   9.349
   58   2HB   ASN   9          2HB       ASN   9   7.925  -4.506   8.654
   59   2HD2  ASN   9          2HD2      ASN   9   7.985  -5.309  10.978
   60   1HD2  ASN   9          1HD2      ASN   9   8.728  -4.274  12.152
   61    H    GLN  10           H        GLN  10   4.899  -2.870   7.411
   62    HA   GLN  10           HA       GLN  10   5.667  -4.291   5.067
   63   1HB   GLN  10          1HB       GLN  10   3.502  -4.461   6.666
   64   2HB   GLN  10          2HB       GLN  10   2.847  -3.337   5.492
   65   1HG   GLN  10          1HG       GLN  10   2.409  -5.109   4.146
   66   2HG   GLN  10          2HG       GLN  10   4.137  -5.290   3.915
   67   2HE2  GLN  10          2HE2      GLN  10   5.087  -6.133   6.262
   68   1HE2  GLN  10          1HE2      GLN  10   4.427  -7.665   6.726
   69    H    CYS  11           H        CYS  11   4.046  -1.133   5.820
   70    HA   CYS  11           HA       CYS  11   4.512  -0.376   3.035
   71   1HB   CYS  11          1HB       CYS  11   2.875   1.404   4.711
   72   2HB   CYS  11          2HB       CYS  11   2.635   0.856   3.063
   73    H    ALA  12           H        ALA  12   6.800  -0.485   4.600
   74    HA   ALA  12           HA       ALA  12   7.215   2.302   5.433
   75   1HB   ALA  12          1HB       ALA  12   9.198   1.255   6.671
   76   2HB   ALA  12          2HB       ALA  12   7.579   0.842   7.284
   77   3HB   ALA  12          3HB       ALA  12   8.476  -0.325   6.284
   78    H    VAL  13           H        VAL  13   7.179   2.151   2.772
   79    HA   VAL  13           HA       VAL  13   9.895   1.552   1.887
   80    HB   VAL  13           HB       VAL  13   7.897   2.516  -0.046
   81   1HG1  VAL  13          1HG1      VAL  13  10.144   0.623   0.125
   82   2HG1  VAL  13          2HG1      VAL  13   8.779   0.040  -0.858
   83   3HG1  VAL  13          3HG1      VAL  13   9.558   1.592  -1.249
   84   1HG2  VAL  13          1HG2      VAL  13   7.405   0.030   1.605
   85   2HG2  VAL  13          2HG2      VAL  13   6.283   1.361   1.232
   86   3HG2  VAL  13          3HG2      VAL  13   6.764   0.218  -0.045
   87    HA   PRO  14           HA       PRO  14  10.907   5.754   1.809
   88   1HB   PRO  14          1HB       PRO  14  12.978   5.757   0.026
   89   2HB   PRO  14          2HB       PRO  14  13.158   5.282   1.702
   90   1HG   PRO  14          1HG       PRO  14  13.071   3.574  -0.709
   91   2HG   PRO  14          2HG       PRO  14  13.664   3.182   0.892
   92   1HD   PRO  14          1HD       PRO  14  11.167   2.368  -0.260
   93   2HD   PRO  14          2HD       PRO  14  11.710   2.074   1.380
   94    H    ALA  15           H        ALA  15   9.245   4.304  -0.553
   95    HA   ALA  15           HA       ALA  15   7.790   5.305  -1.958
   96   1HB   ALA  15          1HB       ALA  15   9.306   7.868  -2.195
   97   2HB   ALA  15          2HB       ALA  15   7.554   7.583  -2.062
   98   3HB   ALA  15          3HB       ALA  15   8.580   7.508  -0.610
   99    H    LYS  16           H        LYS  16  11.275   5.239  -2.175
  100    HA   LYS  16           HA       LYS  16  11.210   5.470  -5.071
  101   1HB   LYS  16          1HB       LYS  16  13.660   5.400  -4.889
  102   2HB   LYS  16          2HB       LYS  16  12.962   6.670  -3.905
  103   1HG   LYS  16          1HG       LYS  16  14.673   5.521  -2.593
  104   2HG   LYS  16          2HG       LYS  16  13.105   5.172  -1.892
  105   1HD   LYS  16          1HD       LYS  16  13.105   2.945  -2.631
  106   2HD   LYS  16          2HD       LYS  16  14.155   3.280  -3.994
  107   1HE   LYS  16          1HE       LYS  16  15.868   3.905  -1.961
  108   2HE   LYS  16          2HE       LYS  16  14.872   2.723  -1.134
  109   1HZ   LYS  16          1HZ       LYS  16  15.287   1.216  -2.996
  110   2HZ   LYS  16          2HZ       LYS  16  16.295   2.309  -3.671
  111   3HZ   LYS  16          3HZ       LYS  16  16.664   1.641  -2.227
  112    H    ASP  17           H        ASP  17  10.232   3.164  -3.027
  113    HA   ASP  17           HA       ASP  17  11.329   1.082  -4.742
  114   1HB   ASP  17          1HB       ASP  17  11.618   1.373  -1.886
  115   2HB   ASP  17          2HB       ASP  17  10.563   0.002  -2.169
  116    H    ARG  18           H        ARG  18   8.757   2.816  -4.552
  117    HA   ARG  18           HA       ARG  18   6.761   1.045  -3.637
  118   1HB   ARG  18          1HB       ARG  18   6.336   3.407  -5.519
  119   2HB   ARG  18          2HB       ARG  18   5.198   2.748  -4.360
  120   1HG   ARG  18          1HG       ARG  18   7.863   3.854  -3.416
  121   2HG   ARG  18          2HG       ARG  18   6.532   4.942  -3.756
  122   1HD   ARG  18          1HD       ARG  18   5.307   2.953  -2.215
  123   2HD   ARG  18          2HD       ARG  18   6.896   3.073  -1.487
  124    HE   ARG  18           HE       ARG  18   5.563   5.656  -2.000
  125   1HH1  ARG  18          1HH1      ARG  18   6.205   3.087   0.317
  126   2HH1  ARG  18          2HH1      ARG  18   5.848   4.069   1.698
  127   1HH2  ARG  18          1HH2      ARG  18   5.092   6.953  -0.178
  128   2HH2  ARG  18          2HH2      ARG  18   5.210   6.283   1.415
  129    H    VAL  19           H        VAL  19   5.722  -0.578  -4.784
  130    HA   VAL  19           HA       VAL  19   6.522  -0.934  -7.551
  131    HB   VAL  19           HB       VAL  19   4.827  -2.737  -5.824
  132   1HG1  VAL  19          1HG1      VAL  19   6.465  -3.131  -8.340
  133   2HG1  VAL  19          2HG1      VAL  19   5.912  -4.486  -7.327
  134   3HG1  VAL  19          3HG1      VAL  19   4.724  -3.408  -8.097
  135   1HG2  VAL  19          1HG2      VAL  19   7.528  -1.975  -5.353
  136   2HG2  VAL  19          2HG2      VAL  19   6.577  -3.241  -4.540
  137   3HG2  VAL  19          3HG2      VAL  19   7.544  -3.641  -5.980
  138    H    ASP  20           H        ASP  20   4.096   0.671  -5.823
  139    HA   ASP  20           HA       ASP  20   2.160   1.498  -6.335
  140   1HB   ASP  20          1HB       ASP  20   3.107   2.534  -8.260
  141   2HB   ASP  20          2HB       ASP  20   3.290   1.010  -9.105
  142    H    CYS  21           H        CYS  21   0.412   0.220  -5.690
  143    HA   CYS  21           HA       CYS  21   0.055  -2.385  -6.777
  144   1HB   CYS  21          1HB       CYS  21  -0.542  -1.297  -4.401
  145   2HB   CYS  21          2HB       CYS  21  -2.095  -1.085  -5.183
  146    H    GLY  22           H        GLY  22  -0.893   0.876  -7.570
  147   1HA   GLY  22          1HA       GLY  22  -2.193   0.106  -9.952
  148   2HA   GLY  22          2HA       GLY  22  -2.134   1.711  -9.250
  149    H    TYR  23           H        TYR  23  -3.814   2.437  -7.818
  150    HA   TYR  23           HA       TYR  23  -6.257   0.855  -8.098
  151   1HB   TYR  23          1HB       TYR  23  -4.723   1.768  -5.643
  152   2HB   TYR  23          2HB       TYR  23  -6.467   1.921  -5.558
  153    HD1  TYR  23           HD1      TYR  23  -7.752  -0.318  -6.433
  154    HD2  TYR  23           HD2      TYR  23  -3.806  -0.177  -4.784
  155    HE1  TYR  23           HE1      TYR  23  -7.929  -2.769  -5.781
  156    HE2  TYR  23           HE2      TYR  23  -3.996  -2.628  -4.138
  157    HH   TYR  23           HH       TYR  23  -6.768  -4.214  -3.885
  158    HA   PRO  24           HA       PRO  24  -7.908   4.770  -8.921
  159   1HB   PRO  24          1HB       PRO  24 -10.577   4.271  -8.612
  160   2HB   PRO  24          2HB       PRO  24  -9.686   3.856 -10.063
  161   1HG   PRO  24          1HG       PRO  24 -10.645   2.078  -7.905
  162   2HG   PRO  24          2HG       PRO  24 -10.145   1.659  -9.531
  163   1HD   PRO  24          1HD       PRO  24  -8.629   1.298  -7.123
  164   2HD   PRO  24          2HD       PRO  24  -8.086   0.988  -8.760
  165    H    HIS  25           H        HIS  25 -10.040   3.560  -6.382
  166    HA   HIS  25           HA       HIS  25  -9.680   6.117  -5.067
  167   1HB   HIS  25          1HB       HIS  25 -11.611   5.533  -3.769
  168   2HB   HIS  25          2HB       HIS  25 -11.951   5.235  -5.463
  169    HD1  HIS  25           HD1      HIS  25 -13.708   3.803  -3.476
  170    HD2  HIS  25           HD2      HIS  25 -10.099   2.181  -4.868
  171    HE1  HIS  25           HE1      HIS  25 -13.876   1.281  -3.127
  172    HE2  HIS  25           HE2      HIS  25 -11.653   0.334  -4.052
  173    H    VAL  26           H        VAL  26  -7.519   5.905  -4.281
  174    HA   VAL  26           HA       VAL  26  -7.084   3.701  -2.413
  175    HB   VAL  26           HB       VAL  26  -4.724   4.486  -2.510
  176   1HG1  VAL  26          1HG1      VAL  26  -5.504   2.647  -3.927
  177   2HG1  VAL  26          2HG1      VAL  26  -6.006   3.808  -5.180
  178   3HG1  VAL  26          3HG1      VAL  26  -4.282   3.624  -4.775
  179   1HG2  VAL  26          1HG2      VAL  26  -5.473   6.863  -3.240
  180   2HG2  VAL  26          2HG2      VAL  26  -3.984   6.180  -3.936
  181   3HG2  VAL  26          3HG2      VAL  26  -5.490   6.181  -4.884
  182    H    THR  27           H        THR  27  -6.941   4.011  -0.219
  183    HA   THR  27           HA       THR  27  -6.621   6.713   0.794
  184    HB   THR  27           HB       THR  27  -8.750   6.855   1.803
  185    HG1  THR  27           HG1      THR  27  -9.835   4.900   2.384
  186   1HG2  THR  27          1HG2      THR  27  -9.194   5.089  -0.660
  187   2HG2  THR  27          2HG2      THR  27 -10.499   5.919   0.222
  188   3HG2  THR  27          3HG2      THR  27  -9.246   6.867  -0.614
  189    HA   PRO  28           HA       PRO  28  -4.731   4.688   4.076
  190   1HB   PRO  28          1HB       PRO  28  -5.464   6.069   6.317
  191   2HB   PRO  28          2HB       PRO  28  -4.249   6.643   5.192
  192   1HG   PRO  28          1HG       PRO  28  -7.033   7.572   5.546
  193   2HG   PRO  28          2HG       PRO  28  -5.697   8.384   4.755
  194   1HD   PRO  28          1HD       PRO  28  -7.884   7.037   3.479
  195   2HD   PRO  28          2HD       PRO  28  -6.489   7.749   2.693
  196    H    LYS  29           H        LYS  29  -7.054   3.362   3.203
  197    HA   LYS  29           HA       LYS  29  -7.312   1.533   5.270
  198   1HB   LYS  29          1HB       LYS  29  -8.595   3.631   6.182
  199   2HB   LYS  29          2HB       LYS  29  -9.859   3.118   5.083
  200   1HG   LYS  29          1HG       LYS  29  -8.579   1.122   6.981
  201   2HG   LYS  29          2HG       LYS  29  -9.851   2.187   7.545
  202   1HD   LYS  29          1HD       LYS  29 -11.343   1.360   5.699
  203   2HD   LYS  29          2HD       LYS  29 -10.073   0.273   5.172
  204   1HE   LYS  29          1HE       LYS  29 -10.519  -0.057   8.037
  205   2HE   LYS  29          2HE       LYS  29 -12.042  -0.205   7.182
  206   1HZ   LYS  29          1HZ       LYS  29 -11.002  -1.822   5.736
  207   2HZ   LYS  29          2HZ       LYS  29  -9.587  -1.687   6.539
  208   3HZ   LYS  29          3HZ       LYS  29 -10.899  -2.297   7.295
  209    H    GLU  30           H        GLU  30  -9.005   3.196   2.547
  210    HA   GLU  30           HA       GLU  30 -10.278   0.830   1.716
  211   1HB   GLU  30          1HB       GLU  30 -11.215   3.019   1.168
  212   2HB   GLU  30          2HB       GLU  30  -9.761   3.482   0.306
  213   1HG   GLU  30          1HG       GLU  30 -10.345   2.310  -1.578
  214   2HG   GLU  30          2HG       GLU  30 -10.933   0.935  -0.663
  215    H    CYS  31           H        CYS  31  -7.232   2.530   0.855
  216    HA   CYS  31           HA       CYS  31  -6.671   0.891  -1.368
  217   1HB   CYS  31          1HB       CYS  31  -5.533   2.861  -1.490
  218   2HB   CYS  31          2HB       CYS  31  -5.217   2.931   0.232
  219    H    ASN  32           H        ASN  32  -5.973   0.824   2.156
  220    HA   ASN  32           HA       ASN  32  -4.248  -1.427   1.873
  221   1HB   ASN  32          1HB       ASN  32  -3.654  -0.936   4.043
  222   2HB   ASN  32          2HB       ASN  32  -4.548   0.550   3.789
  223   2HD2  ASN  32          2HD2      ASN  32  -4.149  -2.004   5.787
  224   1HD2  ASN  32          1HD2      ASN  32  -5.679  -2.055   6.597
  225    H    ASN  33           H        ASN  33  -7.554  -0.975   1.626
  226    HA   ASN  33           HA       ASN  33  -8.227  -3.372   3.109
  227   1HB   ASN  33          1HB       ASN  33  -9.749  -1.537   3.546
  228   2HB   ASN  33          2HB       ASN  33  -9.875  -1.135   1.845
  229   2HD2  ASN  33          2HD2      ASN  33 -12.185  -1.253   2.472
  230   1HD2  ASN  33          1HD2      ASN  33 -13.012  -2.768   2.320
  231    H    ARG  34           H        ARG  34  -8.178  -1.839  -0.147
  232    HA   ARG  34           HA       ARG  34  -9.606  -3.745  -1.504
  233   1HB   ARG  34          1HB       ARG  34  -8.401  -1.392  -2.178
  234   2HB   ARG  34          2HB       ARG  34  -7.239  -2.498  -2.881
  235   1HG   ARG  34          1HG       ARG  34  -9.072  -1.811  -4.478
  236   2HG   ARG  34          2HG       ARG  34  -8.940  -3.546  -4.267
  237   1HD   ARG  34          1HD       ARG  34 -10.763  -2.292  -2.298
  238   2HD   ARG  34          2HD       ARG  34 -11.277  -2.038  -3.954
  239    HE   ARG  34           HE       ARG  34 -10.510  -4.788  -3.615
  240   1HH1  ARG  34          1HH1      ARG  34 -13.070  -2.538  -2.740
  241   2HH1  ARG  34          2HH1      ARG  34 -14.283  -3.769  -2.615
  242   1HH2  ARG  34          1HH2      ARG  34 -12.110  -6.412  -3.449
  243   2HH2  ARG  34          2HH2      ARG  34 -13.733  -5.987  -3.020
  244    H    GLY  35           H        GLY  35  -6.280  -3.725  -0.276
  245   1HA   GLY  35          1HA       GLY  35  -5.786  -6.319  -1.612
  246   2HA   GLY  35          2HA       GLY  35  -5.439  -6.033   0.081
  247    H    CYS  36           H        CYS  36  -3.936  -4.090   0.571
  248    HA   CYS  36           HA       CYS  36  -1.506  -4.488  -0.539
  249   1HB   CYS  36          1HB       CYS  36  -3.091  -3.114  -2.428
  250   2HB   CYS  36          2HB       CYS  36  -1.984  -1.926  -1.767
  251    H    CYS  37           H        CYS  37  -0.552  -1.695  -0.541
  252    HA   CYS  37           HA       CYS  37  -1.280  -0.969   2.204
  253   1HB   CYS  37          1HB       CYS  37   1.362  -1.294   0.898
  254   2HB   CYS  37          2HB       CYS  37   1.185   0.101   1.943
  255    H    PHE  38           H        PHE  38  -1.281   1.379   2.636
  256    HA   PHE  38           HA       PHE  38  -1.598   2.925   0.159
  257   1HB   PHE  38          1HB       PHE  38  -3.707   2.621   1.424
  258   2HB   PHE  38          2HB       PHE  38  -2.910   3.007   2.936
  259    HD1  PHE  38           HD1      PHE  38  -4.144   4.422  -0.235
  260    HD2  PHE  38           HD2      PHE  38  -2.611   5.270   3.630
  261    HE1  PHE  38           HE1      PHE  38  -4.805   6.829  -0.500
  262    HE2  PHE  38           HE2      PHE  38  -3.272   7.677   3.365
  263    HZ   PHE  38           HZ       PHE  38  -4.361   8.428   1.303
  264    H    ASP  39           H        ASP  39  -1.393   5.430   0.708
  265    HA   ASP  39           HA       ASP  39   0.205   6.195   2.823
  266   1HB   ASP  39          1HB       ASP  39   2.025   4.954   1.791
  267   2HB   ASP  39          2HB       ASP  39   1.661   5.614   0.209
  268    H    SER  40           H        SER  40   0.389   8.534   2.791
  269    HA   SER  40           HA       SER  40  -0.462   9.789   0.310
  270   1HB   SER  40          1HB       SER  40  -1.928  11.330   1.575
  271   2HB   SER  40          2HB       SER  40  -2.442   9.666   1.769
  272    HG   SER  40           HG       SER  40  -0.594  10.417   3.713
  273    H    ARG  41           H        ARG  41   2.111   9.332   2.037
  274    HA   ARG  41           HA       ARG  41   2.814  11.714   3.202
  275   1HB   ARG  41          1HB       ARG  41   3.989   9.270   2.975
  276   2HB   ARG  41          2HB       ARG  41   4.939  10.124   1.774
  277   1HG   ARG  41          1HG       ARG  41   4.587  11.666   4.280
  278   2HG   ARG  41          2HG       ARG  41   5.406  10.137   4.528
  279   1HD   ARG  41          1HD       ARG  41   7.271  11.348   3.926
  280   2HD   ARG  41          2HD       ARG  41   6.738  10.975   2.299
  281    HE   ARG  41           HE       ARG  41   6.100  13.217   2.003
  282   1HH1  ARG  41          1HH1      ARG  41   6.665  12.594   5.420
  283   2HH1  ARG  41          2HH1      ARG  41   6.559  14.263   5.873
  284   1HH2  ARG  41          1HH2      ARG  41   5.960  15.419   2.600
  285   2HH2  ARG  41          2HH2      ARG  41   6.156  15.880   4.258
  286    H    ILE  42           H        ILE  42   3.378  10.465  -0.160
  287    HA   ILE  42           HA       ILE  42   3.539  13.218  -1.072
  288    HB   ILE  42           HB       ILE  42   5.561  12.091  -2.519
  289   1HG1  ILE  42          1HG1      ILE  42   7.132  11.109  -0.873
  290   2HG1  ILE  42          2HG1      ILE  42   5.864  11.113   0.336
  291   1HG2  ILE  42          1HG2      ILE  42   5.241  14.107  -0.435
  292   2HG2  ILE  42          2HG2      ILE  42   6.874  13.399  -0.463
  293   3HG2  ILE  42          3HG2      ILE  42   6.201  14.143  -1.934
  294   1HD1  ILE  42          1HD1      ILE  42   5.035   9.859  -2.218
  295   2HD1  ILE  42          2HD1      ILE  42   6.386   9.027  -1.410
  296   3HD1  ILE  42          3HD1      ILE  42   4.847   9.270  -0.549
  297    HA   PRO  43           HA       PRO  43   1.144  11.360  -4.163
  298   1HB   PRO  43          1HB       PRO  43   0.923  13.479  -5.875
  299   2HB   PRO  43          2HB       PRO  43  -0.085  13.285  -4.455
  300   1HG   PRO  43          1HG       PRO  43   2.190  15.125  -4.874
  301   2HG   PRO  43          2HG       PRO  43   0.925  15.202  -3.664
  302   1HD   PRO  43          1HD       PRO  43   3.629  14.332  -3.267
  303   2HD   PRO  43          2HD       PRO  43   2.334  14.299  -2.087
  304    H    GLY  44           H        GLY  44   4.067  13.050  -5.073
  305   1HA   GLY  44          1HA       GLY  44   5.745  12.294  -6.404
  306   2HA   GLY  44          2HA       GLY  44   4.484  12.360  -7.619
  307    H    VAL  45           H        VAL  45   4.824  10.127  -4.784
  308    HA   VAL  45           HA       VAL  45   5.407   7.945  -6.613
  309    HB   VAL  45           HB       VAL  45   6.250   6.832  -4.811
  310   1HG1  VAL  45          1HG1      VAL  45   7.098   9.376  -5.089
  311   2HG1  VAL  45          2HG1      VAL  45   6.576   9.424  -3.388
  312   3HG1  VAL  45          3HG1      VAL  45   7.795   8.237  -3.912
  313   1HG2  VAL  45          1HG2      VAL  45   4.150   8.265  -3.200
  314   2HG2  VAL  45          2HG2      VAL  45   4.454   6.519  -3.371
  315   3HG2  VAL  45          3HG2      VAL  45   5.550   7.522  -2.390
  316    HA   PRO  46           HA       PRO  46   1.453   6.211  -6.375
  317   1HB   PRO  46          1HB       PRO  46   1.863   3.524  -6.091
  318   2HB   PRO  46          2HB       PRO  46   2.038   4.364  -7.619
  319   1HG   PRO  46          1HG       PRO  46   4.144   3.345  -5.812
  320   2HG   PRO  46          2HG       PRO  46   4.269   3.791  -7.502
  321   1HD   PRO  46          1HD       PRO  46   5.163   5.327  -5.251
  322   2HD   PRO  46          2HD       PRO  46   5.182   5.823  -6.932
  323    H    TRP  47           H        TRP  47   0.559   7.267  -4.600
  324    HA   TRP  47           HA       TRP  47   0.929   6.913  -2.034
  325   1HB   TRP  47          1HB       TRP  47  -1.574   7.189  -3.626
  326   2HB   TRP  47          2HB       TRP  47  -1.732   6.834  -1.917
  327    HD1  TRP  47           HD1      TRP  47   1.157   9.110  -3.031
  328    HE1  TRP  47           HE1      TRP  47   0.808  11.589  -2.195
  329    HE3  TRP  47           HE3      TRP  47  -3.588   8.427  -1.335
  330    HZ2  TRP  47           HZ2      TRP  47  -1.364  12.955  -0.947
  331    HZ3  TRP  47           HZ3      TRP  47  -4.752  10.385  -0.322
  332    HH2  TRP  47           HH2      TRP  47  -3.716  12.589  -0.114
  333    H    CYS  48           H        CYS  48  -1.064   4.623  -4.043
  334    HA   CYS  48           HA       CYS  48  -0.938   2.714  -1.865
  335   1HB   CYS  48          1HB       CYS  48  -3.040   3.306  -3.252
  336   2HB   CYS  48          2HB       CYS  48  -2.337   2.290  -4.495
  337    H    PHE  49           H        PHE  49   0.853   1.399  -1.813
  338    HA   PHE  49           HA       PHE  49   1.825   0.399  -4.388
  339   1HB   PHE  49          1HB       PHE  49   4.147   0.594  -3.196
  340   2HB   PHE  49          2HB       PHE  49   3.425   2.099  -3.731
  341    HD1  PHE  49           HD1      PHE  49   3.685  -0.092  -0.730
  342    HD2  PHE  49           HD2      PHE  49   3.148   3.844  -2.220
  343    HE1  PHE  49           HE1      PHE  49   3.840   0.813   1.606
  344    HE2  PHE  49           HE2      PHE  49   3.303   4.750   0.116
  345    HZ   PHE  49           HZ       PHE  49   3.647   3.223   2.001
  346    H    LYS  50           H        LYS  50   3.339  -1.566  -4.027
  347    HA   LYS  50           HA       LYS  50   1.911  -3.435  -2.457
  348   1HB   LYS  50          1HB       LYS  50   4.464  -3.560  -4.071
  349   2HB   LYS  50          2HB       LYS  50   3.863  -4.937  -3.169
  350   1HG   LYS  50          1HG       LYS  50   1.569  -4.112  -4.488
  351   2HG   LYS  50          2HG       LYS  50   2.804  -3.700  -5.660
  352   1HD   LYS  50          1HD       LYS  50   3.484  -6.292  -4.644
  353   2HD   LYS  50          2HD       LYS  50   1.761  -6.322  -4.965
  354   1HE   LYS  50          1HE       LYS  50   2.787  -4.988  -7.207
  355   2HE   LYS  50          2HE       LYS  50   4.022  -6.184  -6.867
  356   1HZ   LYS  50          1HZ       LYS  50   1.355  -7.191  -6.690
  357   2HZ   LYS  50          2HZ       LYS  50   1.763  -6.674  -8.185
  358   3HZ   LYS  50          3HZ       LYS  50   2.659  -7.821  -7.445
  359    HA   PRO  51           HA       PRO  51   4.120  -3.315   1.248
  360   1HB   PRO  51          1HB       PRO  51   4.232  -5.928   2.041
  361   2HB   PRO  51          2HB       PRO  51   2.801  -4.932   2.220
  362   1HG   PRO  51          1HG       PRO  51   3.332  -7.080   0.259
  363   2HG   PRO  51          2HG       PRO  51   1.796  -6.379   0.730
  364   1HD   PRO  51          1HD       PRO  51   3.253  -5.856  -1.685
  365   2HD   PRO  51          2HD       PRO  51   1.777  -5.070  -1.160
  366    H    LEU  52           H        LEU  52   6.139  -2.684   1.631
  367    HA   LEU  52           HA       LEU  52   8.238  -3.146   0.109
  368   1HB   LEU  52          1HB       LEU  52   8.477  -1.676   1.896
  369   2HB   LEU  52          2HB       LEU  52   8.027  -2.879   3.088
  370    HG   LEU  52           HG       LEU  52  10.588  -3.042   1.486
  371   1HD1  LEU  52          1HD1      LEU  52   9.912  -1.360   3.820
  372   2HD1  LEU  52          2HD1      LEU  52  11.421  -2.294   3.953
  373   3HD1  LEU  52          3HD1      LEU  52  11.185  -1.174   2.590
  374   1HD2  LEU  52          1HD2      LEU  52   9.272  -4.828   3.276
  375   2HD2  LEU  52          2HD2      LEU  52  10.844  -5.014   2.461
  376   3HD2  LEU  52          3HD2      LEU  52  10.757  -4.242   4.063
  377    H    GLN  53           H        GLN  53   9.731  -4.729  -0.404
  378    HA   GLN  53           HA       GLN  53   8.919  -7.356  -0.022
  379   1HB   GLN  53          1HB       GLN  53  11.189  -5.932  -1.294
  380   2HB   GLN  53          2HB       GLN  53  11.588  -7.548  -0.746
  381   1HG   GLN  53          1HG       GLN  53  10.648  -8.281  -2.686
  382   2HG   GLN  53          2HG       GLN  53   9.101  -7.943  -1.934
  383   2HE2  GLN  53          2HE2      GLN  53   8.750  -5.366  -1.893
  384   1HE2  GLN  53          1HE2      GLN  53   8.823  -4.626  -3.457
  385    H    GLU  54           H        GLU  54   8.644  -7.437   2.358
  386    HA   GLU  54           HA       GLU  54  10.537  -6.942   4.198
  387   1HB   GLU  54          1HB       GLU  54   9.279  -8.292   5.676
  388   2HB   GLU  54          2HB       GLU  54   8.108  -7.802   4.469
  389   1HG   GLU  54          1HG       GLU  54   8.728 -10.012   3.226
  390   2HG   GLU  54          2HG       GLU  54   9.517 -10.489   4.716
  391    H    ALA  55           H        ALA  55  12.631  -7.587   4.411
  392    HA   ALA  55           HA       ALA  55  13.238 -10.386   3.817
  393   1HB   ALA  55          1HB       ALA  55  15.480  -8.877   2.993
  394   2HB   ALA  55          2HB       ALA  55  14.356  -9.791   1.959
  395   3HB   ALA  55          3HB       ALA  55  14.066  -8.064   2.280
  396    H    GLU  56           H        GLU  56  14.841  -7.290   4.869
  397    HA   GLU  56           HA       GLU  56  15.067  -8.070   7.504
  398   1HB   GLU  56          1HB       GLU  56  17.458  -8.658   7.674
  399   2HB   GLU  56          2HB       GLU  56  16.603  -9.817   6.675
  400   1HG   GLU  56          1HG       GLU  56  18.212  -9.438   5.110
  401   2HG   GLU  56          2HG       GLU  56  17.396  -7.919   4.800
  402    H    CYS  57           H        CYS  57  16.896  -6.636   8.644
  403    HA   CYS  57           HA       CYS  57  16.718  -4.042   7.324
  404   1HB   CYS  57          1HB       CYS  57  16.642  -4.961  10.119
  405   2HB   CYS  57          2HB       CYS  57  17.637  -3.542   9.856
  406    H    THR  58           H        THR  58  18.621  -2.844   6.871
  407    HA   THR  58           HA       THR  58  21.157  -4.155   7.574
  408    HB   THR  58           HB       THR  58  20.390  -4.662   5.189
  409    HG1  THR  58           HG1      THR  58  22.664  -4.525   5.834
  410   1HG2  THR  58          1HG2      THR  58  19.726  -1.933   5.119
  411   2HG2  THR  58          2HG2      THR  58  21.286  -2.000   4.264
  412   3HG2  THR  58          3HG2      THR  58  19.916  -2.985   3.696
  413    H    PHE  59           H        PHE  59  23.058  -2.646   7.343
  414    HA   PHE  59           HA       PHE  59  24.064  -0.816   8.054
  415   1HB   PHE  59          1HB       PHE  59  23.178   0.043   5.888
  416   2HB   PHE  59          2HB       PHE  59  21.615   0.361   6.614
  417    HD1  PHE  59           HD1      PHE  59  25.167   1.417   6.661
  418    HD2  PHE  59           HD2      PHE  59  21.165   2.426   7.651
  419    HE1  PHE  59           HE1      PHE  59  25.888   3.763   7.188
  420    HE2  PHE  59           HE2      PHE  59  21.887   4.771   8.177
  421    HZ   PHE  59           HZ       PHE  59  24.240   5.412   7.939

  No H/Q in entry =         421
  Start of MODEL   22
    1    H    GLU   1           H        GLU   1  12.744  -9.379  19.079
    2    HA   GLU   1           HA       GLU   1  11.357  -7.811  21.056
    3   1HB   GLU   1          1HB       GLU   1  14.055  -7.488  19.678
    4   2HB   GLU   1          2HB       GLU   1  13.422  -6.323  20.824
    5   1HG   GLU   1          1HG       GLU   1  13.588  -9.264  21.564
    6   2HG   GLU   1          2HG       GLU   1  15.004  -8.240  21.692
    7    H    GLU   2           H        GLU   2  12.440  -7.612  17.613
    8    HA   GLU   2           HA       GLU   2  10.570  -5.389  17.339
    9   1HB   GLU   2          1HB       GLU   2  13.375  -5.734  16.349
   10   2HB   GLU   2          2HB       GLU   2  12.250  -4.978  15.238
   11   1HG   GLU   2          1HG       GLU   2  11.640  -3.662  17.598
   12   2HG   GLU   2          2HG       GLU   2  13.356  -3.949  17.804
   13    H    TYR   3           H        TYR   3   8.905  -5.738  15.920
   14    HA   TYR   3           HA       TYR   3   9.198  -7.141  13.513
   15   1HB   TYR   3          1HB       TYR   3   9.338  -9.008  15.300
   16   2HB   TYR   3          2HB       TYR   3   7.737  -8.541  15.838
   17    HD1  TYR   3           HD1      TYR   3   9.545  -9.651  12.746
   18    HD2  TYR   3           HD2      TYR   3   5.870  -9.613  14.937
   19    HE1  TYR   3           HE1      TYR   3   8.506 -11.229  11.045
   20    HE2  TYR   3           HE2      TYR   3   4.843 -11.192  13.228
   21    HH   TYR   3           HH       TYR   3   5.227 -11.730  10.820
   22    H    VAL   4           H        VAL   4   7.641  -6.330  12.195
   23    HA   VAL   4           HA       VAL   4   5.042  -5.732  13.377
   24    HB   VAL   4           HB       VAL   4   6.939  -3.795  12.101
   25   1HG1  VAL   4          1HG1      VAL   4   4.902  -3.790  10.687
   26   2HG1  VAL   4          2HG1      VAL   4   3.920  -3.458  12.134
   27   3HG1  VAL   4          3HG1      VAL   4   5.120  -2.265  11.580
   28   1HG2  VAL   4          1HG2      VAL   4   6.354  -4.133  14.663
   29   2HG2  VAL   4          2HG2      VAL   4   6.600  -2.510  13.976
   30   3HG2  VAL   4          3HG2      VAL   4   4.950  -3.125  14.239
   31    H    GLY   5           H        GLY   5   3.311  -5.667  11.786
   32   1HA   GLY   5          1HA       GLY   5   3.364  -7.646   9.902
   33   2HA   GLY   5          2HA       GLY   5   3.880  -6.217   9.029
   34    H    LEU   6           H        LEU   6   2.285  -4.386  10.865
   35    HA   LEU   6           HA       LEU   6  -0.316  -4.941   9.632
   36   1HB   LEU   6          1HB       LEU   6  -1.392  -4.078  11.687
   37   2HB   LEU   6          2HB       LEU   6  -0.595  -5.629  11.871
   38    HG   LEU   6           HG       LEU   6   1.082  -3.304  12.581
   39   1HD1  LEU   6          1HD1      LEU   6  -1.468  -2.943  13.343
   40   2HD1  LEU   6          2HD1      LEU   6  -0.903  -3.965  14.686
   41   3HD1  LEU   6          3HD1      LEU   6  -0.071  -2.434  14.321
   42   1HD2  LEU   6          1HD2      LEU   6   1.490  -5.854  12.894
   43   2HD2  LEU   6          2HD2      LEU   6   1.957  -4.722  14.186
   44   3HD2  LEU   6          3HD2      LEU   6   0.454  -5.665  14.329
   45    H    SER   7           H        SER   7  -0.012  -3.468   7.952
   46    HA   SER   7           HA       SER   7   0.397  -1.546   6.970
   47   1HB   SER   7          1HB       SER   7  -1.146   0.237   7.616
   48   2HB   SER   7          2HB       SER   7  -1.944  -1.313   7.795
   49    HG   SER   7           HG       SER   7  -1.903  -1.151   9.992
   50    H    ALA   8           H        ALA   8   2.644  -1.152   7.220
   51    HA   ALA   8           HA       ALA   8   3.545   1.133   8.221
   52   1HB   ALA   8          1HB       ALA   8   3.205  -0.866  10.438
   53   2HB   ALA   8          2HB       ALA   8   2.999   0.902  10.458
   54   3HB   ALA   8          3HB       ALA   8   4.633   0.196  10.465
   55    H    ASN   9           H        ASN   9   5.139  -1.710   9.640
   56    HA   ASN   9           HA       ASN   9   7.503  -1.356   8.481
   57   1HB   ASN   9          1HB       ASN   9   6.831  -3.125  10.213
   58   2HB   ASN   9          2HB       ASN   9   6.237  -4.114   8.893
   59   2HD2  ASN   9          2HD2      ASN   9   8.622  -4.000  10.924
   60   1HD2  ASN   9          1HD2      ASN   9   9.986  -4.505   9.982
   61    H    GLN  10           H        GLN  10   4.735  -3.349   7.219
   62    HA   GLN  10           HA       GLN  10   6.079  -4.168   4.914
   63   1HB   GLN  10          1HB       GLN  10   3.798  -4.846   4.134
   64   2HB   GLN  10          2HB       GLN  10   4.157  -5.405   5.756
   65   1HG   GLN  10          1HG       GLN  10   2.946  -2.732   5.813
   66   2HG   GLN  10          2HG       GLN  10   1.925  -3.863   4.948
   67   2HE2  GLN  10          2HE2      GLN  10   3.094  -2.805   7.960
   68   1HE2  GLN  10          1HE2      GLN  10   2.333  -3.970   8.991
   69    H    CYS  11           H        CYS  11   4.255  -1.257   5.795
   70    HA   CYS  11           HA       CYS  11   4.464  -0.362   3.015
   71   1HB   CYS  11          1HB       CYS  11   2.796   1.140   4.961
   72   2HB   CYS  11          2HB       CYS  11   2.567   0.874   3.244
   73    H    ALA  12           H        ALA  12   6.822  -0.424   4.520
   74    HA   ALA  12           HA       ALA  12   7.139   2.387   5.325
   75   1HB   ALA  12          1HB       ALA  12   9.187   0.473   6.228
   76   2HB   ALA  12          2HB       ALA  12   7.557   0.102   6.839
   77   3HB   ALA  12          3HB       ALA  12   8.282   1.697   7.151
   78    H    VAL  13           H        VAL  13   7.168   2.052   2.655
   79    HA   VAL  13           HA       VAL  13   9.897   1.457   1.848
   80    HB   VAL  13           HB       VAL  13   7.949   2.437  -0.130
   81   1HG1  VAL  13          1HG1      VAL  13  10.183   0.551   0.085
   82   2HG1  VAL  13          2HG1      VAL  13   8.819  -0.087  -0.864
   83   3HG1  VAL  13          3HG1      VAL  13   9.577   1.457  -1.323
   84   1HG2  VAL  13          1HG2      VAL  13   7.376   0.011   1.575
   85   2HG2  VAL  13          2HG2      VAL  13   6.280   1.325   1.084
   86   3HG2  VAL  13          3HG2      VAL  13   6.812   0.117  -0.110
   87    HA   PRO  14           HA       PRO  14  11.015   5.627   1.688
   88   1HB   PRO  14          1HB       PRO  14  13.039   5.576  -0.147
   89   2HB   PRO  14          2HB       PRO  14  13.250   5.099   1.526
   90   1HG   PRO  14          1HG       PRO  14  13.060   3.390  -0.879
   91   2HG   PRO  14          2HG       PRO  14  13.683   2.986   0.708
   92   1HD   PRO  14          1HD       PRO  14  11.138   2.232  -0.378
   93   2HD   PRO  14          2HD       PRO  14  11.715   1.928   1.248
   94    H    ALA  15           H        ALA  15   9.271   4.208  -0.640
   95    HA   ALA  15           HA       ALA  15   7.806   5.237  -2.014
   96   1HB   ALA  15          1HB       ALA  15   9.348   7.776  -2.288
   97   2HB   ALA  15          2HB       ALA  15   8.678   7.425  -0.677
   98   3HB   ALA  15          3HB       ALA  15   7.598   7.515  -2.089
   99    H    LYS  16           H        LYS  16  11.324   5.340  -2.327
  100    HA   LYS  16           HA       LYS  16  11.158   5.460  -5.218
  101   1HB   LYS  16          1HB       LYS  16  13.589   5.534  -5.134
  102   2HB   LYS  16          2HB       LYS  16  12.896   6.740  -4.069
  103   1HG   LYS  16          1HG       LYS  16  14.352   5.860  -2.529
  104   2HG   LYS  16          2HG       LYS  16  13.097   4.657  -2.310
  105   1HD   LYS  16          1HD       LYS  16  15.107   3.404  -2.653
  106   2HD   LYS  16          2HD       LYS  16  14.235   3.290  -4.169
  107   1HE   LYS  16          1HE       LYS  16  15.610   5.177  -5.092
  108   2HE   LYS  16          2HE       LYS  16  16.489   5.270  -3.580
  109   1HZ   LYS  16          1HZ       LYS  16  16.338   2.734  -5.010
  110   2HZ   LYS  16          2HZ       LYS  16  17.419   3.866  -5.473
  111   3HZ   LYS  16          3HZ       LYS  16  17.476   3.253  -3.961
  112    H    ASP  17           H        ASP  17  10.295   3.167  -3.128
  113    HA   ASP  17           HA       ASP  17  11.435   1.088  -4.818
  114   1HB   ASP  17          1HB       ASP  17  11.818   1.448  -1.999
  115   2HB   ASP  17          2HB       ASP  17  10.739   0.080  -2.179
  116    H    ARG  18           H        ARG  18   8.809   2.741  -4.606
  117    HA   ARG  18           HA       ARG  18   6.893   0.919  -3.624
  118   1HB   ARG  18          1HB       ARG  18   6.358   3.239  -5.532
  119   2HB   ARG  18          2HB       ARG  18   5.258   2.556  -4.352
  120   1HG   ARG  18          1HG       ARG  18   7.890   3.719  -3.409
  121   2HG   ARG  18          2HG       ARG  18   6.577   4.805  -3.818
  122   1HD   ARG  18          1HD       ARG  18   5.287   2.886  -2.251
  123   2HD   ARG  18          2HD       ARG  18   6.861   2.991  -1.488
  124    HE   ARG  18           HE       ARG  18   5.548   5.575  -2.099
  125   1HH1  ARG  18          1HH1      ARG  18   6.256   3.102   0.303
  126   2HH1  ARG  18          2HH1      ARG  18   5.927   4.138   1.652
  127   1HH2  ARG  18          1HH2      ARG  18   5.115   6.942  -0.320
  128   2HH2  ARG  18          2HH2      ARG  18   5.274   6.337   1.296
  129    H    VAL  19           H        VAL  19   5.591  -0.558  -4.787
  130    HA   VAL  19           HA       VAL  19   6.478  -1.051  -7.522
  131    HB   VAL  19           HB       VAL  19   4.798  -2.741  -5.660
  132   1HG1  VAL  19          1HG1      VAL  19   5.633  -3.006  -8.461
  133   2HG1  VAL  19          2HG1      VAL  19   6.065  -4.413  -7.460
  134   3HG1  VAL  19          3HG1      VAL  19   4.372  -3.873  -7.552
  135   1HG2  VAL  19          1HG2      VAL  19   7.347  -2.120  -5.126
  136   2HG2  VAL  19          2HG2      VAL  19   6.671  -3.737  -4.814
  137   3HG2  VAL  19          3HG2      VAL  19   7.632  -3.443  -6.283
  138    H    ASP  20           H        ASP  20   4.152   0.744  -5.914
  139    HA   ASP  20           HA       ASP  20   2.210   1.569  -6.424
  140   1HB   ASP  20          1HB       ASP  20   3.214   2.570  -8.337
  141   2HB   ASP  20          2HB       ASP  20   3.376   1.038  -9.171
  142    H    CYS  21           H        CYS  21   0.553   0.197  -5.676
  143    HA   CYS  21           HA       CYS  21   0.107  -2.351  -6.792
  144   1HB   CYS  21          1HB       CYS  21  -0.503  -1.231  -4.438
  145   2HB   CYS  21          2HB       CYS  21  -2.040  -0.988  -5.245
  146    H    GLY  22           H        GLY  22  -0.951   0.950  -7.479
  147   1HA   GLY  22          1HA       GLY  22  -2.163   0.175  -9.935
  148   2HA   GLY  22          2HA       GLY  22  -2.107   1.779  -9.230
  149    H    TYR  23           H        TYR  23  -3.777   2.473  -7.740
  150    HA   TYR  23           HA       TYR  23  -6.231   0.914  -8.078
  151   1HB   TYR  23          1HB       TYR  23  -4.706   1.786  -5.605
  152   2HB   TYR  23          2HB       TYR  23  -6.449   1.956  -5.526
  153    HD1  TYR  23           HD1      TYR  23  -7.765  -0.250  -6.404
  154    HD2  TYR  23           HD2      TYR  23  -3.802  -0.186  -4.793
  155    HE1  TYR  23           HE1      TYR  23  -7.970  -2.707  -5.782
  156    HE2  TYR  23           HE2      TYR  23  -4.020  -2.643  -4.176
  157    HH   TYR  23           HH       TYR  23  -6.057  -4.187  -3.633
  158    HA   PRO  24           HA       PRO  24  -7.866   4.844  -8.862
  159   1HB   PRO  24          1HB       PRO  24 -10.538   4.353  -8.566
  160   2HB   PRO  24          2HB       PRO  24  -9.644   3.950 -10.019
  161   1HG   PRO  24          1HG       PRO  24 -10.617   2.153  -7.883
  162   2HG   PRO  24          2HG       PRO  24 -10.114   1.749  -9.512
  163   1HD   PRO  24          1HD       PRO  24  -8.607   1.356  -7.103
  164   2HD   PRO  24          2HD       PRO  24  -8.060   1.061  -8.741
  165    H    HIS  25           H        HIS  25 -10.027   3.627  -6.353
  166    HA   HIS  25           HA       HIS  25  -9.664   6.166  -5.010
  167   1HB   HIS  25          1HB       HIS  25 -11.616   5.633  -3.781
  168   2HB   HIS  25          2HB       HIS  25 -11.928   5.185  -5.446
  169    HD1  HIS  25           HD1      HIS  25 -13.530   3.933  -3.082
  170    HD2  HIS  25           HD2      HIS  25 -10.153   2.189  -4.857
  171    HE1  HIS  25           HE1      HIS  25 -13.680   1.432  -2.599
  172    HE2  HIS  25           HE2      HIS  25 -11.607   0.407  -3.761
  173    H    VAL  26           H        VAL  26  -7.463   5.892  -4.292
  174    HA   VAL  26           HA       VAL  26  -7.030   3.697  -2.422
  175    HB   VAL  26           HB       VAL  26  -4.675   4.486  -2.519
  176   1HG1  VAL  26          1HG1      VAL  26  -5.453   2.672  -3.965
  177   2HG1  VAL  26          2HG1      VAL  26  -5.966   3.853  -5.195
  178   3HG1  VAL  26          3HG1      VAL  26  -4.240   3.669  -4.803
  179   1HG2  VAL  26          1HG2      VAL  26  -5.840   6.801  -3.656
  180   2HG2  VAL  26          2HG2      VAL  26  -4.114   6.463  -3.383
  181   3HG2  VAL  26          3HG2      VAL  26  -4.868   6.040  -4.939
  182    H    THR  27           H        THR  27  -7.395   4.003  -0.292
  183    HA   THR  27           HA       THR  27  -6.979   6.717   0.762
  184    HB   THR  27           HB       THR  27  -9.081   6.628   1.899
  185    HG1  THR  27           HG1      THR  27 -10.094   4.548   2.188
  186   1HG2  THR  27          1HG2      THR  27  -9.106   6.162  -0.898
  187   2HG2  THR  27          2HG2      THR  27 -10.242   4.967  -0.227
  188   3HG2  THR  27          3HG2      THR  27 -10.483   6.702   0.092
  189    HA   PRO  28           HA       PRO  28  -4.857   4.822   3.976
  190   1HB   PRO  28          1HB       PRO  28  -5.558   6.227   6.213
  191   2HB   PRO  28          2HB       PRO  28  -4.409   6.820   5.030
  192   1HG   PRO  28          1HG       PRO  28  -7.212   7.651   5.470
  193   2HG   PRO  28          2HG       PRO  28  -5.938   8.495   4.611
  194   1HD   PRO  28          1HD       PRO  28  -8.118   7.036   3.450
  195   2HD   PRO  28          2HD       PRO  28  -6.782   7.781   2.595
  196    H    LYS  29           H        LYS  29  -7.177   3.404   3.224
  197    HA   LYS  29           HA       LYS  29  -7.282   1.615   5.348
  198   1HB   LYS  29          1HB       LYS  29  -8.620   3.682   6.245
  199   2HB   LYS  29          2HB       LYS  29  -9.895   3.097   5.195
  200   1HG   LYS  29          1HG       LYS  29  -8.605   0.975   6.837
  201   2HG   LYS  29          2HG       LYS  29  -9.433   2.201   7.776
  202   1HD   LYS  29          1HD       LYS  29 -10.814   0.967   5.375
  203   2HD   LYS  29          2HD       LYS  29 -10.771   0.092   6.893
  204   1HE   LYS  29          1HE       LYS  29 -11.506   2.847   7.433
  205   2HE   LYS  29          2HE       LYS  29 -12.525   2.239   6.144
  206   1HZ   LYS  29          1HZ       LYS  29 -12.177   0.354   8.237
  207   2HZ   LYS  29          2HZ       LYS  29 -12.854   1.742   8.766
  208   3HZ   LYS  29          3HZ       LYS  29 -13.555   0.903   7.553
  209    H    GLU  30           H        GLU  30  -8.888   3.122   2.518
  210    HA   GLU  30           HA       GLU  30 -10.182   0.693   1.824
  211   1HB   GLU  30          1HB       GLU  30 -11.034   3.015   1.269
  212   2HB   GLU  30          2HB       GLU  30  -9.725   3.177   0.114
  213   1HG   GLU  30          1HG       GLU  30 -10.846   1.961  -1.442
  214   2HG   GLU  30          2HG       GLU  30 -11.096   0.641  -0.316
  215    H    CYS  31           H        CYS  31  -7.235   2.496   0.804
  216    HA   CYS  31           HA       CYS  31  -6.632   0.834  -1.364
  217   1HB   CYS  31          1HB       CYS  31  -5.505   2.806  -1.493
  218   2HB   CYS  31          2HB       CYS  31  -5.210   2.896   0.232
  219    H    ASN  32           H        ASN  32  -5.972   0.746   2.162
  220    HA   ASN  32           HA       ASN  32  -4.200  -1.470   1.880
  221   1HB   ASN  32          1HB       ASN  32  -3.574  -0.814   3.978
  222   2HB   ASN  32          2HB       ASN  32  -4.751   0.480   3.871
  223   2HD2  ASN  32          2HD2      ASN  32  -7.081  -0.262   4.247
  224   1HD2  ASN  32          1HD2      ASN  32  -7.362  -1.286   5.615
  225    H    ASN  33           H        ASN  33  -7.538  -1.027   1.685
  226    HA   ASN  33           HA       ASN  33  -8.169  -3.471   3.101
  227   1HB   ASN  33          1HB       ASN  33  -9.702  -1.634   3.556
  228   2HB   ASN  33          2HB       ASN  33  -9.865  -1.257   1.852
  229   2HD2  ASN  33          2HD2      ASN  33 -11.285  -2.324   0.598
  230   1HD2  ASN  33          1HD2      ASN  33 -12.390  -3.538   1.150
  231    H    ARG  34           H        ARG  34  -8.180  -1.874  -0.130
  232    HA   ARG  34           HA       ARG  34  -9.571  -3.783  -1.514
  233   1HB   ARG  34          1HB       ARG  34  -8.392  -1.398  -2.148
  234   2HB   ARG  34          2HB       ARG  34  -7.233  -2.484  -2.889
  235   1HG   ARG  34          1HG       ARG  34  -9.081  -1.783  -4.453
  236   2HG   ARG  34          2HG       ARG  34  -8.957  -3.521  -4.263
  237   1HD   ARG  34          1HD       ARG  34 -10.997  -3.689  -3.205
  238   2HD   ARG  34          2HD       ARG  34 -10.761  -2.216  -2.286
  239    HE   ARG  34           HE       ARG  34 -11.084  -1.403  -4.967
  240   1HH1  ARG  34          1HH1      ARG  34 -12.986  -3.098  -2.540
  241   2HH1  ARG  34          2HH1      ARG  34 -14.507  -2.569  -3.178
  242   1HH2  ARG  34          1HH2      ARG  34 -13.090  -0.705  -5.809
  243   2HH2  ARG  34          2HH2      ARG  34 -14.566  -1.199  -5.050
  244    H    GLY  35           H        GLY  35  -6.285  -3.777  -0.226
  245   1HA   GLY  35          1HA       GLY  35  -5.747  -6.332  -1.623
  246   2HA   GLY  35          2HA       GLY  35  -5.385  -6.050   0.069
  247    H    CYS  36           H        CYS  36  -3.905  -4.084   0.550
  248    HA   CYS  36           HA       CYS  36  -1.483  -4.448  -0.602
  249   1HB   CYS  36          1HB       CYS  36  -3.105  -3.085  -2.453
  250   2HB   CYS  36          2HB       CYS  36  -2.045  -1.865  -1.775
  251    H    CYS  37           H        CYS  37  -0.580  -1.628  -0.578
  252    HA   CYS  37           HA       CYS  37  -1.282  -0.950   2.186
  253   1HB   CYS  37          1HB       CYS  37   1.376  -1.187   0.854
  254   2HB   CYS  37          2HB       CYS  37   1.163   0.095   2.030
  255    H    PHE  38           H        PHE  38  -1.320   1.381   2.640
  256    HA   PHE  38           HA       PHE  38  -1.612   2.958   0.181
  257   1HB   PHE  38          1HB       PHE  38  -3.716   2.644   1.459
  258   2HB   PHE  38          2HB       PHE  38  -2.910   3.029   2.966
  259    HD1  PHE  38           HD1      PHE  38  -4.186   4.442  -0.186
  260    HD2  PHE  38           HD2      PHE  38  -2.582   5.298   3.649
  261    HE1  PHE  38           HE1      PHE  38  -4.847   6.849  -0.447
  262    HE2  PHE  38           HE2      PHE  38  -3.244   7.705   3.388
  263    HZ   PHE  38           HZ       PHE  38  -4.369   8.452   1.344
  264    H    ASP  39           H        ASP  39  -1.394   5.458   0.755
  265    HA   ASP  39           HA       ASP  39   0.205   6.204   2.870
  266   1HB   ASP  39          1HB       ASP  39   2.004   4.924   1.815
  267   2HB   ASP  39          2HB       ASP  39   1.679   5.656   0.256
  268    H    SER  40           H        SER  40   0.348   8.534   2.864
  269    HA   SER  40           HA       SER  40  -0.476   9.797   0.373
  270   1HB   SER  40          1HB       SER  40  -1.913  11.354   1.644
  271   2HB   SER  40          2HB       SER  40  -2.437   9.697   1.867
  272    HG   SER  40           HG       SER  40  -1.076  11.425   3.713
  273    H    ARG  41           H        ARG  41   2.112   9.314   2.071
  274    HA   ARG  41           HA       ARG  41   2.863  11.683   3.225
  275   1HB   ARG  41          1HB       ARG  41   4.010   9.224   2.946
  276   2HB   ARG  41          2HB       ARG  41   4.953  10.094   1.752
  277   1HG   ARG  41          1HG       ARG  41   6.134  11.208   3.349
  278   2HG   ARG  41          2HG       ARG  41   4.681  11.668   4.213
  279   1HD   ARG  41          1HD       ARG  41   5.043  10.066   5.784
  280   2HD   ARG  41          2HD       ARG  41   5.101   8.815   4.559
  281    HE   ARG  41           HE       ARG  41   7.570  10.237   4.458
  282   1HH1  ARG  41          1HH1      ARG  41   5.814   8.097   6.631
  283   2HH1  ARG  41          2HH1      ARG  41   7.246   7.459   7.366
  284   1HH2  ARG  41          1HH2      ARG  41   9.460   9.395   5.428
  285   2HH2  ARG  41          2HH2      ARG  41   9.334   8.202   6.678
  286    H    ILE  42           H        ILE  42   3.428  10.434  -0.143
  287    HA   ILE  42           HA       ILE  42   3.567  13.194  -1.050
  288    HB   ILE  42           HB       ILE  42   5.567  12.058  -2.525
  289   1HG1  ILE  42          1HG1      ILE  42   7.151  11.066  -0.900
  290   2HG1  ILE  42          2HG1      ILE  42   5.899  11.078   0.326
  291   1HG2  ILE  42          1HG2      ILE  42   5.349  14.334  -1.398
  292   2HG2  ILE  42          2HG2      ILE  42   6.082  13.573   0.035
  293   3HG2  ILE  42          3HG2      ILE  42   6.982  13.632  -1.500
  294   1HD1  ILE  42          1HD1      ILE  42   5.016   9.831  -2.209
  295   2HD1  ILE  42          2HD1      ILE  42   6.386   8.994  -1.441
  296   3HD1  ILE  42          3HD1      ILE  42   4.871   9.234  -0.538
  297    HA   PRO  43           HA       PRO  43   1.125  11.362  -4.120
  298   1HB   PRO  43          1HB       PRO  43   0.894  13.490  -5.819
  299   2HB   PRO  43          2HB       PRO  43  -0.098  13.294  -4.388
  300   1HG   PRO  43          1HG       PRO  43   2.181  15.125  -4.826
  301   2HG   PRO  43          2HG       PRO  43   0.932  15.202  -3.600
  302   1HD   PRO  43          1HD       PRO  43   3.636  14.317  -3.241
  303   2HD   PRO  43          2HD       PRO  43   2.355  14.286  -2.045
  304    H    GLY  44           H        GLY  44   4.038  13.054  -5.069
  305   1HA   GLY  44          1HA       GLY  44   5.696  12.302  -6.427
  306   2HA   GLY  44          2HA       GLY  44   4.415  12.360  -7.621
  307    H    VAL  45           H        VAL  45   4.869  10.140  -4.787
  308    HA   VAL  45           HA       VAL  45   5.421   7.955  -6.614
  309    HB   VAL  45           HB       VAL  45   6.297   6.861  -4.822
  310   1HG1  VAL  45          1HG1      VAL  45   7.110   9.409  -5.088
  311   2HG1  VAL  45          2HG1      VAL  45   6.562   9.464  -3.396
  312   3HG1  VAL  45          3HG1      VAL  45   7.807   8.291  -3.890
  313   1HG2  VAL  45          1HG2      VAL  45   4.213   8.277  -3.159
  314   2HG2  VAL  45          2HG2      VAL  45   4.454   6.532  -3.413
  315   3HG2  VAL  45          3HG2      VAL  45   5.597   7.451  -2.404
  316    HA   PRO  46           HA       PRO  46   1.488   6.178  -6.333
  317   1HB   PRO  46          1HB       PRO  46   1.917   3.502  -5.981
  318   2HB   PRO  46          2HB       PRO  46   2.090   4.305  -7.529
  319   1HG   PRO  46          1HG       PRO  46   4.199   3.347  -5.693
  320   2HG   PRO  46          2HG       PRO  46   4.325   3.753  -7.393
  321   1HD   PRO  46          1HD       PRO  46   5.201   5.350  -5.177
  322   2HD   PRO  46          2HD       PRO  46   5.221   5.804  -6.870
  323    H    TRP  47           H        TRP  47   0.534   7.239  -4.608
  324    HA   TRP  47           HA       TRP  47   0.920   6.946  -2.020
  325   1HB   TRP  47          1HB       TRP  47  -1.555   7.239  -3.640
  326   2HB   TRP  47          2HB       TRP  47  -1.754   6.869  -1.938
  327    HD1  TRP  47           HD1      TRP  47   1.160   9.145  -3.010
  328    HE1  TRP  47           HE1      TRP  47   0.820  11.613  -2.143
  329    HE3  TRP  47           HE3      TRP  47  -3.586   8.455  -1.321
  330    HZ2  TRP  47           HZ2      TRP  47  -1.348  12.970  -0.876
  331    HZ3  TRP  47           HZ3      TRP  47  -4.743  10.403  -0.282
  332    HH2  TRP  47           HH2      TRP  47  -3.701  12.601  -0.046
  333    H    CYS  48           H        CYS  48  -1.014   4.619  -4.036
  334    HA   CYS  48           HA       CYS  48  -0.940   2.749  -1.815
  335   1HB   CYS  48          1HB       CYS  48  -3.037   3.312  -3.191
  336   2HB   CYS  48          2HB       CYS  48  -2.325   2.333  -4.458
  337    H    PHE  49           H        PHE  49   0.868   1.458  -1.726
  338    HA   PHE  49           HA       PHE  49   1.855   0.408  -4.276
  339   1HB   PHE  49          1HB       PHE  49   4.165   0.616  -3.066
  340   2HB   PHE  49          2HB       PHE  49   3.449   2.116  -3.621
  341    HD1  PHE  49           HD1      PHE  49   3.621  -0.053  -0.593
  342    HD2  PHE  49           HD2      PHE  49   3.221   3.881  -2.135
  343    HE1  PHE  49           HE1      PHE  49   3.756   0.874   1.736
  344    HE2  PHE  49           HE2      PHE  49   3.357   4.807   0.194
  345    HZ   PHE  49           HZ       PHE  49   3.623   3.293   2.101
  346    H    LYS  50           H        LYS  50   3.293  -1.581  -3.920
  347    HA   LYS  50           HA       LYS  50   1.867  -3.397  -2.287
  348   1HB   LYS  50          1HB       LYS  50   4.399  -3.622  -3.931
  349   2HB   LYS  50          2HB       LYS  50   3.722  -4.969  -3.038
  350   1HG   LYS  50          1HG       LYS  50   1.482  -4.004  -4.364
  351   2HG   LYS  50          2HG       LYS  50   2.747  -3.672  -5.530
  352   1HD   LYS  50          1HD       LYS  50   3.279  -6.293  -4.527
  353   2HD   LYS  50          2HD       LYS  50   1.550  -6.230  -4.808
  354   1HE   LYS  50          1HE       LYS  50   2.560  -4.968  -7.082
  355   2HE   LYS  50          2HE       LYS  50   3.778  -6.186  -6.765
  356   1HZ   LYS  50          1HZ       LYS  50   1.238  -7.299  -6.429
  357   2HZ   LYS  50          2HZ       LYS  50   1.302  -6.563  -7.885
  358   3HZ   LYS  50          3HZ       LYS  50   2.397  -7.712  -7.502
  359    HA   PRO  51           HA       PRO  51   4.174  -3.268   1.357
  360   1HB   PRO  51          1HB       PRO  51   4.232  -5.869   2.195
  361   2HB   PRO  51          2HB       PRO  51   2.835  -4.829   2.392
  362   1HG   PRO  51          1HG       PRO  51   3.253  -7.026   0.458
  363   2HG   PRO  51          2HG       PRO  51   1.751  -6.272   0.956
  364   1HD   PRO  51          1HD       PRO  51   3.157  -5.834  -1.505
  365   2HD   PRO  51          2HD       PRO  51   1.719  -4.997  -0.956
  366    H    LEU  52           H        LEU  52   6.216  -2.638   1.582
  367    HA   LEU  52           HA       LEU  52   8.251  -3.248   0.027
  368   1HB   LEU  52          1HB       LEU  52   8.421  -1.671   1.818
  369   2HB   LEU  52          2HB       LEU  52   8.278  -2.932   3.027
  370    HG   LEU  52           HG       LEU  52  10.597  -2.633   1.097
  371   1HD1  LEU  52          1HD1      LEU  52  10.387  -1.899   4.031
  372   2HD1  LEU  52          2HD1      LEU  52  11.882  -1.890   3.065
  373   3HD1  LEU  52          3HD1      LEU  52  10.553  -0.777   2.659
  374   1HD2  LEU  52          1HD2      LEU  52   9.813  -4.734   3.016
  375   2HD2  LEU  52          2HD2      LEU  52  10.866  -4.811   1.583
  376   3HD2  LEU  52          3HD2      LEU  52  11.507  -4.196   3.126
  377    H    GLN  53           H        GLN  53   9.502  -4.955  -0.580
  378    HA   GLN  53           HA       GLN  53   8.702  -7.505   0.172
  379   1HB   GLN  53          1HB       GLN  53  10.678  -8.258  -1.150
  380   2HB   GLN  53          2HB       GLN  53   9.728  -7.057  -2.002
  381   1HG   GLN  53          1HG       GLN  53  11.773  -5.775  -0.334
  382   2HG   GLN  53          2HG       GLN  53  12.500  -6.938  -1.425
  383   2HE2  GLN  53          2HE2      GLN  53  11.073  -3.878  -1.066
  384   1HE2  GLN  53          1HE2      GLN  53  11.055  -3.369  -2.722
  385    H    GLU  54           H        GLU  54   8.792  -7.305   2.572
  386    HA   GLU  54           HA       GLU  54  10.972  -6.733   4.033
  387   1HB   GLU  54          1HB       GLU  54   9.882  -7.782   5.827
  388   2HB   GLU  54          2HB       GLU  54   8.556  -7.456   4.729
  389   1HG   GLU  54          1HG       GLU  54   8.892  -9.819   3.782
  390   2HG   GLU  54          2HG       GLU  54  10.021 -10.108   5.091
  391    H    ALA  55           H        ALA  55  13.038  -7.495   4.061
  392    HA   ALA  55           HA       ALA  55  13.453 -10.356   3.844
  393   1HB   ALA  55          1HB       ALA  55  14.826 -10.291   1.941
  394   2HB   ALA  55          2HB       ALA  55  13.493  -9.196   1.503
  395   3HB   ALA  55          3HB       ALA  55  15.051  -8.528   2.043
  396    H    GLU  56           H        GLU  56  15.268 -11.029   5.007
  397    HA   GLU  56           HA       GLU  56  17.326  -9.268   5.681
  398   1HB   GLU  56          1HB       GLU  56  15.058  -8.891   7.280
  399   2HB   GLU  56          2HB       GLU  56  16.058  -9.950   8.254
  400   1HG   GLU  56          1HG       GLU  56  17.663  -8.342   8.600
  401   2HG   GLU  56          2HG       GLU  56  17.568  -7.744   6.955
  402    H    CYS  57           H        CYS  57  18.958 -10.351   7.133
  403    HA   CYS  57           HA       CYS  57  18.468 -13.090   7.787
  404   1HB   CYS  57          1HB       CYS  57  18.970 -13.188   5.344
  405   2HB   CYS  57          2HB       CYS  57  20.543 -12.488   5.670
  406    H    THR  58           H        THR  58  21.225 -10.861   6.923
  407    HA   THR  58           HA       THR  58  22.002 -10.823   9.734
  408    HB   THR  58           HB       THR  58  23.762 -11.792   7.422
  409    HG1  THR  58           HG1      THR  58  23.649 -13.716   8.754
  410   1HG2  THR  58          1HG2      THR  58  24.769 -10.304   9.450
  411   2HG2  THR  58          2HG2      THR  58  24.604 -11.850  10.318
  412   3HG2  THR  58          3HG2      THR  58  25.612 -11.754   8.854
  413    H    PHE  59           H        PHE  59  23.068  -8.958  10.378
  414    HA   PHE  59           HA       PHE  59  22.452  -6.629   9.276
  415   1HB   PHE  59          1HB       PHE  59  24.020  -7.507  11.335
  416   2HB   PHE  59          2HB       PHE  59  25.306  -7.029  10.244
  417    HD1  PHE  59           HD1      PHE  59  22.468  -5.821  12.239
  418    HD2  PHE  59           HD2      PHE  59  25.753  -4.709   9.793
  419    HE1  PHE  59           HE1      PHE  59  22.236  -3.443  13.008
  420    HE2  PHE  59           HE2      PHE  59  25.520  -2.331  10.562
  421    HZ   PHE  59           HZ       PHE  59  23.765  -1.726  12.161

  No H/Q in entry =         421
  Start of MODEL   23
    1    H    GLU   1           H        GLU   1   5.663 -11.160  24.342
    2    HA   GLU   1           HA       GLU   1   6.919  -9.838  23.054
    3   1HB   GLU   1          1HB       GLU   1   5.882 -12.120  21.772
    4   2HB   GLU   1          2HB       GLU   1   5.763 -10.864  20.556
    5   1HG   GLU   1          1HG       GLU   1   7.950 -11.680  20.222
    6   2HG   GLU   1          2HG       GLU   1   8.227 -10.265  21.218
    7    H    GLU   2           H        GLU   2   3.595  -9.937  21.578
    8    HA   GLU   2           HA       GLU   2   2.401  -8.421  20.578
    9   1HB   GLU   2          1HB       GLU   2   3.599  -7.046  22.891
   10   2HB   GLU   2          2HB       GLU   2   3.122  -5.925  21.631
   11   1HG   GLU   2          1HG       GLU   2   0.863  -6.410  21.849
   12   2HG   GLU   2          2HG       GLU   2   1.148  -8.089  22.263
   13    H    TYR   3           H        TYR   3   2.908  -8.264  18.419
   14    HA   TYR   3           HA       TYR   3   4.435  -6.040  17.547
   15   1HB   TYR   3          1HB       TYR   3   5.967  -8.196  18.283
   16   2HB   TYR   3          2HB       TYR   3   5.511  -8.752  16.686
   17    HD1  TYR   3           HD1      TYR   3   5.824  -6.865  14.770
   18    HD2  TYR   3           HD2      TYR   3   7.958  -7.024  18.475
   19    HE1  TYR   3           HE1      TYR   3   7.698  -5.477  13.758
   20    HE2  TYR   3           HE2      TYR   3   9.825  -5.635  17.450
   21    HH   TYR   3           HH       TYR   3   9.865  -4.909  14.034
   22    H    VAL   4           H        VAL   4   3.980  -5.542  15.386
   23    HA   VAL   4           HA       VAL   4   3.104  -7.397  13.505
   24    HB   VAL   4           HB       VAL   4   1.164  -7.664  14.922
   25   1HG1  VAL   4          1HG1      VAL   4   1.282  -4.703  15.028
   26   2HG1  VAL   4          2HG1      VAL   4  -0.346  -5.408  14.895
   27   3HG1  VAL   4          3HG1      VAL   4   0.720  -5.877  16.241
   28   1HG2  VAL   4          1HG2      VAL   4   1.090  -6.747  12.194
   29   2HG2  VAL   4          2HG2      VAL   4   0.051  -7.940  13.010
   30   3HG2  VAL   4          3HG2      VAL   4  -0.382  -6.214  13.041
   31    H    GLY   5           H        GLY   5   3.334  -6.450  11.515
   32   1HA   GLY   5          1HA       GLY   5   4.182  -4.807  10.167
   33   2HA   GLY   5          2HA       GLY   5   4.072  -3.648  11.476
   34    H    LEU   6           H        LEU   6   1.156  -4.633  11.977
   35    HA   LEU   6           HA       LEU   6  -0.540  -4.418   9.959
   36   1HB   LEU   6          1HB       LEU   6  -0.674  -4.157  12.691
   37   2HB   LEU   6          2HB       LEU   6  -1.271  -2.603  12.143
   38    HG   LEU   6           HG       LEU   6  -2.432  -4.945  10.754
   39   1HD1  LEU   6          1HD1      LEU   6  -2.113  -5.298  13.444
   40   2HD1  LEU   6          2HD1      LEU   6  -3.711  -4.517  13.369
   41   3HD1  LEU   6          3HD1      LEU   6  -3.410  -6.018  12.460
   42   1HD2  LEU   6          1HD2      LEU   6  -3.214  -2.224  11.616
   43   2HD2  LEU   6          2HD2      LEU   6  -3.602  -3.123  10.130
   44   3HD2  LEU   6          3HD2      LEU   6  -4.506  -3.448  11.629
   45    H    SER   7           H        SER   7  -0.081  -3.272   8.111
   46    HA   SER   7           HA       SER   7   0.488  -1.573   6.839
   47   1HB   SER   7          1HB       SER   7  -1.093   0.329   6.960
   48   2HB   SER   7          2HB       SER   7  -1.921  -1.201   7.172
   49    HG   SER   7           HG       SER   7  -2.119   0.857   8.773
   50    H    ALA   8           H        ALA   8   2.687  -1.129   7.363
   51    HA   ALA   8           HA       ALA   8   3.360   1.389   8.118
   52   1HB   ALA   8          1HB       ALA   8   2.945  -0.434  10.461
   53   2HB   ALA   8          2HB       ALA   8   2.715   1.326  10.329
   54   3HB   ALA   8          3HB       ALA   8   4.354   0.652  10.496
   55    H    ASN   9           H        ASN   9   4.644  -1.750   9.420
   56    HA   ASN   9           HA       ASN   9   7.217  -1.223   8.609
   57   1HB   ASN   9          1HB       ASN   9   6.806  -2.940  10.275
   58   2HB   ASN   9          2HB       ASN   9   5.729  -3.821   9.209
   59   2HD2  ASN   9          2HD2      ASN   9   7.260  -5.533   9.976
   60   1HD2  ASN   9          1HD2      ASN   9   8.665  -5.860   9.017
   61    H    GLN  10           H        GLN  10   4.678  -3.421   7.181
   62    HA   GLN  10           HA       GLN  10   6.193  -4.119   4.964
   63   1HB   GLN  10          1HB       GLN  10   3.956  -4.852   4.017
   64   2HB   GLN  10          2HB       GLN  10   4.329  -5.498   5.603
   65   1HG   GLN  10          1HG       GLN  10   3.039  -3.080   6.197
   66   2HG   GLN  10          2HG       GLN  10   2.166  -3.656   4.791
   67   2HE2  GLN  10          2HE2      GLN  10   3.429  -4.660   7.946
   68   1HE2  GLN  10          1HE2      GLN  10   2.185  -5.799   8.338
   69    H    CYS  11           H        CYS  11   4.304  -1.257   5.750
   70    HA   CYS  11           HA       CYS  11   4.532  -0.390   2.962
   71   1HB   CYS  11          1HB       CYS  11   2.830   1.126   4.865
   72   2HB   CYS  11          2HB       CYS  11   2.617   0.819   3.153
   73    H    ALA  12           H        ALA  12   6.866  -0.421   4.525
   74    HA   ALA  12           HA       ALA  12   7.144   2.394   5.328
   75   1HB   ALA  12          1HB       ALA  12   9.233   0.502   6.186
   76   2HB   ALA  12          2HB       ALA  12   7.615   0.098   6.807
   77   3HB   ALA  12          3HB       ALA  12   8.318   1.700   7.133
   78    H    VAL  13           H        VAL  13   7.151   2.024   2.635
   79    HA   VAL  13           HA       VAL  13   9.886   1.518   1.806
   80    HB   VAL  13           HB       VAL  13   7.893   2.488  -0.137
   81   1HG1  VAL  13          1HG1      VAL  13  10.192   0.687   0.008
   82   2HG1  VAL  13          2HG1      VAL  13   8.833  -0.013  -0.904
   83   3HG1  VAL  13          3HG1      VAL  13   9.508   1.563  -1.383
   84   1HG2  VAL  13          1HG2      VAL  13   7.396   0.045   1.559
   85   2HG2  VAL  13          2HG2      VAL  13   6.258   1.311   1.039
   86   3HG2  VAL  13          3HG2      VAL  13   6.847   0.108  -0.133
   87    HA   PRO  14           HA       PRO  14  10.926   5.711   1.713
   88   1HB   PRO  14          1HB       PRO  14  12.983   5.706  -0.087
   89   2HB   PRO  14          2HB       PRO  14  13.173   5.225   1.588
   90   1HG   PRO  14          1HG       PRO  14  13.057   3.524  -0.828
   91   2HG   PRO  14          2HG       PRO  14  13.660   3.124   0.768
   92   1HD   PRO  14          1HD       PRO  14  11.148   2.329  -0.367
   93   2HD   PRO  14          2HD       PRO  14  11.702   2.028   1.268
   94    H    ALA  15           H        ALA  15   9.263   4.265  -0.665
   95    HA   ALA  15           HA       ALA  15   7.814   5.252  -2.078
   96   1HB   ALA  15          1HB       ALA  15   8.559   7.448  -0.670
   97   2HB   ALA  15          2HB       ALA  15   9.242   7.862  -2.261
   98   3HB   ALA  15          3HB       ALA  15   7.503   7.517  -2.101
   99    H    LYS  16           H        LYS  16  11.253   5.080  -2.248
  100    HA   LYS  16           HA       LYS  16  11.236   5.453  -5.142
  101   1HB   LYS  16          1HB       LYS  16  13.683   5.420  -4.936
  102   2HB   LYS  16          2HB       LYS  16  12.956   6.656  -3.930
  103   1HG   LYS  16          1HG       LYS  16  14.666   5.512  -2.620
  104   2HG   LYS  16          2HG       LYS  16  13.098   5.102  -1.953
  105   1HD   LYS  16          1HD       LYS  16  13.182   2.895  -2.719
  106   2HD   LYS  16          2HD       LYS  16  14.189   3.293  -4.097
  107   1HE   LYS  16          1HE       LYS  16  16.173   3.492  -2.710
  108   2HE   LYS  16          2HE       LYS  16  15.228   3.456  -1.235
  109   1HZ   LYS  16          1HZ       LYS  16  14.530   1.183  -2.521
  110   2HZ   LYS  16          2HZ       LYS  16  16.131   1.297  -2.822
  111   3HZ   LYS  16          3HZ       LYS  16  15.589   1.292  -1.282
  112    H    ASP  17           H        ASP  17  10.375   3.077  -3.061
  113    HA   ASP  17           HA       ASP  17  11.445   1.055  -4.865
  114   1HB   ASP  17          1HB       ASP  17  12.630   0.664  -2.834
  115   2HB   ASP  17          2HB       ASP  17  11.243   1.060  -1.839
  116    H    ARG  18           H        ARG  18   8.850   2.697  -4.629
  117    HA   ARG  18           HA       ARG  18   6.914   0.927  -3.610
  118   1HB   ARG  18          1HB       ARG  18   6.429   3.204  -5.584
  119   2HB   ARG  18          2HB       ARG  18   5.296   2.556  -4.415
  120   1HG   ARG  18          1HG       ARG  18   7.925   3.722  -3.456
  121   2HG   ARG  18          2HG       ARG  18   6.609   4.798  -3.884
  122   1HD   ARG  18          1HD       ARG  18   5.304   2.913  -2.306
  123   2HD   ARG  18          2HD       ARG  18   6.879   2.989  -1.541
  124    HE   ARG  18           HE       ARG  18   5.639   5.603  -2.154
  125   1HH1  ARG  18          1HH1      ARG  18   6.209   3.094   0.247
  126   2HH1  ARG  18          2HH1      ARG  18   5.878   4.130   1.595
  127   1HH2  ARG  18          1HH2      ARG  18   5.203   6.970  -0.376
  128   2HH2  ARG  18          2HH2      ARG  18   5.302   6.350   1.238
  129    H    VAL  19           H        VAL  19   5.547  -0.534  -4.737
  130    HA   VAL  19           HA       VAL  19   6.446  -1.152  -7.444
  131    HB   VAL  19           HB       VAL  19   4.593  -2.789  -5.730
  132   1HG1  VAL  19          1HG1      VAL  19   5.881  -3.094  -8.301
  133   2HG1  VAL  19          2HG1      VAL  19   6.402  -4.384  -7.191
  134   3HG1  VAL  19          3HG1      VAL  19   4.669  -4.132  -7.510
  135   1HG2  VAL  19          1HG2      VAL  19   7.511  -2.316  -5.370
  136   2HG2  VAL  19          2HG2      VAL  19   6.263  -2.762  -4.182
  137   3HG2  VAL  19          3HG2      VAL  19   6.947  -4.001  -5.262
  138    H    ASP  20           H        ASP  20   4.108   0.694  -5.858
  139    HA   ASP  20           HA       ASP  20   2.190   1.547  -6.412
  140   1HB   ASP  20          1HB       ASP  20   3.246   2.524  -8.313
  141   2HB   ASP  20          2HB       ASP  20   3.389   0.985  -9.140
  142    H    CYS  21           H        CYS  21   0.522   0.178  -5.672
  143    HA   CYS  21           HA       CYS  21   0.057  -2.354  -6.831
  144   1HB   CYS  21          1HB       CYS  21  -0.523  -1.267  -4.445
  145   2HB   CYS  21          2HB       CYS  21  -2.070  -1.030  -5.232
  146    H    GLY  22           H        GLY  22  -0.888   0.956  -7.513
  147   1HA   GLY  22          1HA       GLY  22  -2.157   0.263  -9.942
  148   2HA   GLY  22          2HA       GLY  22  -2.100   1.844  -9.188
  149    H    TYR  23           H        TYR  23  -3.794   2.531  -7.757
  150    HA   TYR  23           HA       TYR  23  -6.232   0.950  -8.092
  151   1HB   TYR  23          1HB       TYR  23  -4.719   1.821  -5.610
  152   2HB   TYR  23          2HB       TYR  23  -6.463   1.973  -5.535
  153    HD1  TYR  23           HD1      TYR  23  -7.750  -0.244  -6.439
  154    HD2  TYR  23           HD2      TYR  23  -3.800  -0.144  -4.798
  155    HE1  TYR  23           HE1      TYR  23  -7.931  -2.707  -5.833
  156    HE2  TYR  23           HE2      TYR  23  -3.995  -2.607  -4.197
  157    HH   TYR  23           HH       TYR  23  -6.454  -4.575  -5.439
  158    HA   PRO  24           HA       PRO  24  -7.884   4.877  -8.861
  159   1HB   PRO  24          1HB       PRO  24 -10.555   4.362  -8.596
  160   2HB   PRO  24          2HB       PRO  24  -9.644   3.980 -10.043
  161   1HG   PRO  24          1HG       PRO  24 -10.624   2.155  -7.934
  162   2HG   PRO  24          2HG       PRO  24 -10.101   1.771  -9.562
  163   1HD   PRO  24          1HD       PRO  24  -8.615   1.367  -7.143
  164   2HD   PRO  24          2HD       PRO  24  -8.050   1.091  -8.778
  165    H    HIS  25           H        HIS  25 -10.009   3.584  -6.354
  166    HA   HIS  25           HA       HIS  25  -9.705   6.127  -4.995
  167   1HB   HIS  25          1HB       HIS  25 -11.636   5.505  -3.733
  168   2HB   HIS  25          2HB       HIS  25 -11.956   5.181  -5.425
  169    HD1  HIS  25           HD1      HIS  25 -13.660   3.735  -3.366
  170    HD2  HIS  25           HD2      HIS  25 -10.063   2.172  -4.855
  171    HE1  HIS  25           HE1      HIS  25 -13.776   1.210  -3.011
  172    HE2  HIS  25           HE2      HIS  25 -11.562   0.300  -3.995
  173    H    VAL  26           H        VAL  26  -7.523   5.911  -4.237
  174    HA   VAL  26           HA       VAL  26  -7.069   3.699  -2.384
  175    HB   VAL  26           HB       VAL  26  -4.717   4.479  -2.488
  176   1HG1  VAL  26          1HG1      VAL  26  -6.020   3.870  -5.163
  177   2HG1  VAL  26          2HG1      VAL  26  -4.289   3.694  -4.790
  178   3HG1  VAL  26          3HG1      VAL  26  -5.488   2.681  -3.950
  179   1HG2  VAL  26          1HG2      VAL  26  -5.659   6.869  -3.300
  180   2HG2  VAL  26          2HG2      VAL  26  -4.004   6.307  -3.638
  181   3HG2  VAL  26          3HG2      VAL  26  -5.266   6.156  -4.883
  182    H    THR  27           H        THR  27  -6.962   3.990  -0.191
  183    HA   THR  27           HA       THR  27  -6.636   6.683   0.848
  184    HB   THR  27           HB       THR  27  -8.767   6.810   1.861
  185    HG1  THR  27           HG1      THR  27  -9.925   4.802   2.274
  186   1HG2  THR  27          1HG2      THR  27  -9.193   5.104  -0.647
  187   2HG2  THR  27          2HG2      THR  27 -10.510   5.896   0.251
  188   3HG2  THR  27          3HG2      THR  27  -9.262   6.880  -0.551
  189    HA   PRO  28           HA       PRO  28  -4.745   4.625   4.107
  190   1HB   PRO  28          1HB       PRO  28  -5.448   6.015   6.352
  191   2HB   PRO  28          2HB       PRO  28  -4.231   6.573   5.222
  192   1HG   PRO  28          1HG       PRO  28  -7.001   7.538   5.590
  193   2HG   PRO  28          2HG       PRO  28  -5.658   8.333   4.792
  194   1HD   PRO  28          1HD       PRO  28  -7.869   7.016   3.527
  195   2HD   PRO  28          2HD       PRO  28  -6.468   7.709   2.733
  196    H    LYS  29           H        LYS  29  -7.110   3.348   3.246
  197    HA   LYS  29           HA       LYS  29  -7.376   1.513   5.313
  198   1HB   LYS  29          1HB       LYS  29  -8.629   3.645   6.217
  199   2HB   LYS  29          2HB       LYS  29  -9.910   3.116   5.146
  200   1HG   LYS  29          1HG       LYS  29  -8.838   0.842   6.643
  201   2HG   LYS  29          2HG       LYS  29  -9.321   2.119   7.742
  202   1HD   LYS  29          1HD       LYS  29 -11.179   1.336   5.482
  203   2HD   LYS  29          2HD       LYS  29 -11.097   0.323   6.909
  204   1HE   LYS  29          1HE       LYS  29 -12.646   1.747   7.795
  205   2HE   LYS  29          2HE       LYS  29 -11.300   2.839   8.052
  206   1HZ   LYS  29          1HZ       LYS  29 -12.924   2.774   5.604
  207   2HZ   LYS  29          2HZ       LYS  29 -13.128   3.840   6.824
  208   3HZ   LYS  29          3HZ       LYS  29 -11.747   3.851   5.953
  209    H    GLU  30           H        GLU  30  -8.901   3.198   2.527
  210    HA   GLU  30           HA       GLU  30 -10.255   0.838   1.720
  211   1HB   GLU  30          1HB       GLU  30 -11.187   3.052   1.213
  212   2HB   GLU  30          2HB       GLU  30  -9.753   3.494   0.308
  213   1HG   GLU  30          1HG       GLU  30 -10.433   2.359  -1.558
  214   2HG   GLU  30          2HG       GLU  30 -10.935   0.956  -0.635
  215    H    CYS  31           H        CYS  31  -7.173   2.487   0.972
  216    HA   CYS  31           HA       CYS  31  -6.635   0.873  -1.305
  217   1HB   CYS  31          1HB       CYS  31  -5.547   2.877  -1.447
  218   2HB   CYS  31          2HB       CYS  31  -5.183   2.945   0.266
  219    H    ASN  32           H        ASN  32  -6.176   0.721   2.212
  220    HA   ASN  32           HA       ASN  32  -4.294  -1.431   1.970
  221   1HB   ASN  32          1HB       ASN  32  -5.658  -0.498   4.534
  222   2HB   ASN  32          2HB       ASN  32  -4.098  -1.280   4.376
  223   2HD2  ASN  32          2HD2      ASN  32  -5.930   1.658   3.829
  224   1HD2  ASN  32          1HD2      ASN  32  -4.599   2.761   3.729
  225    H    ASN  33           H        ASN  33  -7.621  -1.047   1.675
  226    HA   ASN  33           HA       ASN  33  -8.258  -3.487   3.098
  227   1HB   ASN  33          1HB       ASN  33  -9.800  -1.609   3.472
  228   2HB   ASN  33          2HB       ASN  33  -9.985  -1.351   1.748
  229   2HD2  ASN  33          2HD2      ASN  33 -11.053  -2.929   0.470
  230   1HD2  ASN  33          1HD2      ASN  33 -12.236  -3.995   1.150
  231    H    ARG  34           H        ARG  34  -8.279  -1.895  -0.144
  232    HA   ARG  34           HA       ARG  34  -9.587  -3.820  -1.554
  233   1HB   ARG  34          1HB       ARG  34  -8.391  -1.441  -2.169
  234   2HB   ARG  34          2HB       ARG  34  -7.208  -2.530  -2.866
  235   1HG   ARG  34          1HG       ARG  34  -9.042  -1.820  -4.471
  236   2HG   ARG  34          2HG       ARG  34  -8.858  -3.556  -4.313
  237   1HD   ARG  34          1HD       ARG  34 -10.882  -3.817  -3.192
  238   2HD   ARG  34          2HD       ARG  34 -10.781  -2.252  -2.411
  239    HE   ARG  34           HE       ARG  34 -11.147  -2.147  -5.335
  240   1HH1  ARG  34          1HH1      ARG  34 -12.712  -2.152  -2.183
  241   2HH1  ARG  34          2HH1      ARG  34 -14.174  -1.428  -2.765
  242   1HH2  ARG  34          1HH2      ARG  34 -13.076  -1.192  -6.103
  243   2HH2  ARG  34          2HH2      ARG  34 -14.382  -0.878  -5.010
  244    H    GLY  35           H        GLY  35  -6.322  -3.793  -0.197
  245   1HA   GLY  35          1HA       GLY  35  -5.774  -6.384  -1.520
  246   2HA   GLY  35          2HA       GLY  35  -5.407  -6.040   0.159
  247    H    CYS  36           H        CYS  36  -3.903  -4.101   0.583
  248    HA   CYS  36           HA       CYS  36  -1.500  -4.495  -0.602
  249   1HB   CYS  36          1HB       CYS  36  -3.134  -3.154  -2.447
  250   2HB   CYS  36          2HB       CYS  36  -2.082  -1.917  -1.789
  251    H    CYS  37           H        CYS  37  -0.571  -1.687  -0.614
  252    HA   CYS  37           HA       CYS  37  -1.214  -0.989   2.160
  253   1HB   CYS  37          1HB       CYS  37   1.409  -1.204   0.751
  254   2HB   CYS  37          2HB       CYS  37   1.216   0.066   1.943
  255    H    PHE  38           H        PHE  38  -1.217   1.353   2.607
  256    HA   PHE  38           HA       PHE  38  -1.574   2.922   0.150
  257   1HB   PHE  38          1HB       PHE  38  -3.669   2.584   1.435
  258   2HB   PHE  38          2HB       PHE  38  -2.861   2.972   2.940
  259    HD1  PHE  38           HD1      PHE  38  -4.075   4.403  -0.242
  260    HD2  PHE  38           HD2      PHE  38  -2.642   5.220   3.668
  261    HE1  PHE  38           HE1      PHE  38  -4.761   6.804  -0.493
  262    HE2  PHE  38           HE2      PHE  38  -3.328   7.622   3.417
  263    HZ   PHE  38           HZ       PHE  38  -4.380   8.385   1.340
  264    H    ASP  39           H        ASP  39  -1.379   5.422   0.727
  265    HA   ASP  39           HA       ASP  39   0.226   6.177   2.838
  266   1HB   ASP  39          1HB       ASP  39   2.045   4.946   1.787
  267   2HB   ASP  39          2HB       ASP  39   1.678   5.627   0.215
  268    H    SER  40           H        SER  40   0.424   8.519   2.812
  269    HA   SER  40           HA       SER  40  -0.439   9.788   0.345
  270   1HB   SER  40          1HB       SER  40  -1.928  11.302   1.601
  271   2HB   SER  40          2HB       SER  40  -2.421   9.633   1.810
  272    HG   SER  40           HG       SER  40  -1.875   9.675   3.914
  273    H    ARG  41           H        ARG  41   2.133   9.331   2.062
  274    HA   ARG  41           HA       ARG  41   2.805  11.736   3.230
  275   1HB   ARG  41          1HB       ARG  41   3.977   9.277   3.071
  276   2HB   ARG  41          2HB       ARG  41   4.968  10.122   1.899
  277   1HG   ARG  41          1HG       ARG  41   4.512  11.658   4.401
  278   2HG   ARG  41          2HG       ARG  41   5.369  10.150   4.648
  279   1HD   ARG  41          1HD       ARG  41   6.762  11.006   2.500
  280   2HD   ARG  41          2HD       ARG  41   6.206  12.572   3.057
  281    HE   ARG  41           HE       ARG  41   7.593  12.386   4.946
  282   1HH1  ARG  41          1HH1      ARG  41   7.350   9.263   3.343
  283   2HH1  ARG  41          2HH1      ARG  41   8.598   8.533   4.296
  284   1HH2  ARG  41          1HH2      ARG  41   9.240  11.423   6.204
  285   2HH2  ARG  41          2HH2      ARG  41   9.681   9.770   5.934
  286    H    ILE  42           H        ILE  42   3.391  10.420  -0.097
  287    HA   ILE  42           HA       ILE  42   3.636  13.153  -1.049
  288    HB   ILE  42           HB       ILE  42   5.632  11.929  -2.465
  289   1HG1  ILE  42          1HG1      ILE  42   7.166  10.958  -0.775
  290   2HG1  ILE  42          2HG1      ILE  42   5.884  11.022   0.418
  291   1HG2  ILE  42          1HG2      ILE  42   5.358  14.013  -0.439
  292   2HG2  ILE  42          2HG2      ILE  42   6.971  13.260  -0.442
  293   3HG2  ILE  42          3HG2      ILE  42   6.323  13.981  -1.935
  294   1HD1  ILE  42          1HD1      ILE  42   5.050   9.725  -2.110
  295   2HD1  ILE  42          2HD1      ILE  42   6.376   8.883  -1.273
  296   3HD1  ILE  42          3HD1      ILE  42   4.838   9.180  -0.429
  297    HA   PRO  43           HA       PRO  43   1.166  11.275  -4.079
  298   1HB   PRO  43          1HB       PRO  43   0.837  13.431  -5.726
  299   2HB   PRO  43          2HB       PRO  43  -0.130  13.167  -4.288
  300   1HG   PRO  43          1HG       PRO  43   2.076  15.089  -4.712
  301   2HG   PRO  43          2HG       PRO  43   0.839  15.093  -3.469
  302   1HD   PRO  43          1HD       PRO  43   3.579  14.300  -3.162
  303   2HD   PRO  43          2HD       PRO  43   2.315  14.195  -1.952
  304    H    GLY  44           H        GLY  44   4.037  13.047  -4.979
  305   1HA   GLY  44          1HA       GLY  44   5.692  12.403  -6.387
  306   2HA   GLY  44          2HA       GLY  44   4.398  12.439  -7.568
  307    H    VAL  45           H        VAL  45   4.651  10.155  -4.793
  308    HA   VAL  45           HA       VAL  45   5.367   8.031  -6.664
  309    HB   VAL  45           HB       VAL  45   6.284   6.924  -4.903
  310   1HG1  VAL  45          1HG1      VAL  45   7.074   9.455  -5.121
  311   2HG1  VAL  45          2HG1      VAL  45   6.453   9.536  -3.454
  312   3HG1  VAL  45          3HG1      VAL  45   7.733   8.372  -3.872
  313   1HG2  VAL  45          1HG2      VAL  45   4.115   8.190  -3.247
  314   2HG2  VAL  45          2HG2      VAL  45   4.522   6.470  -3.465
  315   3HG2  VAL  45          3HG2      VAL  45   5.558   7.509  -2.457
  316    HA   PRO  46           HA       PRO  46   1.477   6.158  -6.389
  317   1HB   PRO  46          1HB       PRO  46   1.961   3.490  -6.054
  318   2HB   PRO  46          2HB       PRO  46   2.118   4.306  -7.597
  319   1HG   PRO  46          1HG       PRO  46   4.245   3.379  -5.765
  320   2HG   PRO  46          2HG       PRO  46   4.364   3.798  -7.463
  321   1HD   PRO  46          1HD       PRO  46   5.206   5.399  -5.237
  322   2HD   PRO  46          2HD       PRO  46   5.218   5.864  -6.926
  323    H    TRP  47           H        TRP  47   0.574   7.238  -4.624
  324    HA   TRP  47           HA       TRP  47   0.951   6.906  -2.051
  325   1HB   TRP  47          1HB       TRP  47  -1.540   7.193  -3.653
  326   2HB   TRP  47          2HB       TRP  47  -1.717   6.824  -1.950
  327    HD1  TRP  47           HD1      TRP  47   1.187   9.103  -3.022
  328    HE1  TRP  47           HE1      TRP  47   0.839  11.574  -2.166
  329    HE3  TRP  47           HE3      TRP  47  -3.569   8.415  -1.361
  330    HZ2  TRP  47           HZ2      TRP  47  -1.338  12.934  -0.918
  331    HZ3  TRP  47           HZ3      TRP  47  -4.735  10.366  -0.336
  332    HH2  TRP  47           HH2      TRP  47  -3.696  12.566  -0.103
  333    H    CYS  48           H        CYS  48  -1.042   4.609  -4.051
  334    HA   CYS  48           HA       CYS  48  -0.940   2.714  -1.861
  335   1HB   CYS  48          1HB       CYS  48  -3.017   3.303  -3.302
  336   2HB   CYS  48          2HB       CYS  48  -2.295   2.251  -4.504
  337    H    PHE  49           H        PHE  49   0.864   1.418  -1.771
  338    HA   PHE  49           HA       PHE  49   1.860   0.377  -4.319
  339   1HB   PHE  49          1HB       PHE  49   4.175   0.616  -3.132
  340   2HB   PHE  49          2HB       PHE  49   3.438   2.110  -3.678
  341    HD1  PHE  49           HD1      PHE  49   3.661  -0.062  -0.655
  342    HD2  PHE  49           HD2      PHE  49   3.208   3.870  -2.186
  343    HE1  PHE  49           HE1      PHE  49   3.811   0.863   1.674
  344    HE2  PHE  49           HE2      PHE  49   3.358   4.794   0.142
  345    HZ   PHE  49           HZ       PHE  49   3.657   3.279   2.045
  346    H    LYS  50           H        LYS  50   3.250  -1.622  -4.000
  347    HA   LYS  50           HA       LYS  50   1.871  -3.425  -2.329
  348   1HB   LYS  50          1HB       LYS  50   4.411  -3.668  -3.962
  349   2HB   LYS  50          2HB       LYS  50   3.687  -5.008  -3.097
  350   1HG   LYS  50          1HG       LYS  50   1.487  -4.014  -4.438
  351   2HG   LYS  50          2HG       LYS  50   2.764  -3.632  -5.576
  352   1HD   LYS  50          1HD       LYS  50   3.343  -6.268  -4.711
  353   2HD   LYS  50          2HD       LYS  50   1.602  -6.239  -4.905
  354   1HE   LYS  50          1HE       LYS  50   2.655  -4.839  -7.160
  355   2HE   LYS  50          2HE       LYS  50   3.671  -6.253  -6.961
  356   1HZ   LYS  50          1HZ       LYS  50   0.755  -6.469  -6.875
  357   2HZ   LYS  50          2HZ       LYS  50   1.567  -6.505  -8.292
  358   3HZ   LYS  50          3HZ       LYS  50   1.850  -7.647  -7.158
  359    HA   PRO  51           HA       PRO  51   4.208  -3.270   1.295
  360   1HB   PRO  51          1HB       PRO  51   4.285  -5.867   2.144
  361   2HB   PRO  51          2HB       PRO  51   2.885  -4.833   2.348
  362   1HG   PRO  51          1HG       PRO  51   3.296  -7.036   0.421
  363   2HG   PRO  51          2HG       PRO  51   1.795  -6.287   0.928
  364   1HD   PRO  51          1HD       PRO  51   3.179  -5.854  -1.547
  365   2HD   PRO  51          2HD       PRO  51   1.742  -5.021  -0.990
  366    H    LEU  52           H        LEU  52   6.251  -2.647   1.533
  367    HA   LEU  52           HA       LEU  52   8.281  -3.211  -0.030
  368   1HB   LEU  52          1HB       LEU  52   8.470  -1.698   1.805
  369   2HB   LEU  52          2HB       LEU  52   8.306  -2.991   2.977
  370    HG   LEU  52           HG       LEU  52  10.634  -2.733   1.054
  371   1HD1  LEU  52          1HD1      LEU  52  10.167  -0.945   3.006
  372   2HD1  LEU  52          2HD1      LEU  52  11.014  -2.196   3.948
  373   3HD1  LEU  52          3HD1      LEU  52  11.798  -1.469   2.525
  374   1HD2  LEU  52          1HD2      LEU  52   9.779  -4.797   2.926
  375   2HD2  LEU  52          2HD2      LEU  52  11.018  -4.844   1.649
  376   3HD2  LEU  52          3HD2      LEU  52  11.426  -4.212   3.262
  377    H    GLN  53           H        GLN  53   9.844  -4.802  -0.430
  378    HA   GLN  53           HA       GLN  53   8.954  -7.417   0.004
  379   1HB   GLN  53          1HB       GLN  53  11.251  -6.078  -1.334
  380   2HB   GLN  53          2HB       GLN  53  11.575  -7.712  -0.791
  381   1HG   GLN  53          1HG       GLN  53  10.549  -8.415  -2.695
  382   2HG   GLN  53          2HG       GLN  53   9.038  -7.953  -1.937
  383   2HE2  GLN  53          2HE2      GLN  53   8.852  -5.370  -1.940
  384   1HE2  GLN  53          1HE2      GLN  53   8.974  -4.655  -3.513
  385    H    GLU  54           H        GLU  54   8.756  -7.148   2.458
  386    HA   GLU  54           HA       GLU  54  10.701  -6.720   4.195
  387   1HB   GLU  54          1HB       GLU  54   9.537  -8.203   5.749
  388   2HB   GLU  54          2HB       GLU  54   8.358  -7.366   4.758
  389   1HG   GLU  54          1HG       GLU  54   9.385 -10.194   4.222
  390   2HG   GLU  54          2HG       GLU  54   7.863  -9.818   5.005
  391    H    ALA  55           H        ALA  55  12.653  -7.596   4.821
  392    HA   ALA  55           HA       ALA  55  13.216 -10.366   4.333
  393   1HB   ALA  55          1HB       ALA  55  15.230  -9.851   2.917
  394   2HB   ALA  55          2HB       ALA  55  13.680  -9.517   2.108
  395   3HB   ALA  55          3HB       ALA  55  14.644  -8.177   2.773
  396    H    GLU  56           H        GLU  56  13.300 -10.168   6.695
  397    HA   GLU  56           HA       GLU  56  14.365 -10.006   8.579
  398   1HB   GLU  56          1HB       GLU  56  16.326 -10.733   6.811
  399   2HB   GLU  56          2HB       GLU  56  17.023  -9.255   7.443
  400   1HG   GLU  56          1HG       GLU  56  17.683 -10.399   9.285
  401   2HG   GLU  56          2HG       GLU  56  15.998 -10.613   9.718
  402    H    CYS  57           H        CYS  57  15.436  -8.447  10.140
  403    HA   CYS  57           HA       CYS  57  15.128  -5.713   9.128
  404   1HB   CYS  57          1HB       CYS  57  14.504  -5.087  11.441
  405   2HB   CYS  57          2HB       CYS  57  13.353  -6.140  10.643
  406    H    THR  58           H        THR  58  17.376  -5.522   8.555
  407    HA   THR  58           HA       THR  58  19.141  -5.361  10.892
  408    HB   THR  58           HB       THR  58  19.588  -7.536   9.806
  409    HG1  THR  58           HG1      THR  58  21.429  -6.257  10.492
  410   1HG2  THR  58          1HG2      THR  58  18.724  -6.725   7.472
  411   2HG2  THR  58          2HG2      THR  58  20.331  -5.983   7.289
  412   3HG2  THR  58          3HG2      THR  58  20.182  -7.745   7.490
  413    H    PHE  59           H        PHE  59  18.682  -4.587   7.387
  414    HA   PHE  59           HA       PHE  59  20.590  -2.580   7.299
  415   1HB   PHE  59          1HB       PHE  59  19.646  -3.397   5.243
  416   2HB   PHE  59          2HB       PHE  59  18.008  -3.322   5.863
  417    HD1  PHE  59           HD1      PHE  59  20.843  -1.073   4.955
  418    HD2  PHE  59           HD2      PHE  59  16.636  -1.581   5.196
  419    HE1  PHE  59           HE1      PHE  59  20.510   1.136   3.809
  420    HE2  PHE  59           HE2      PHE  59  16.304   0.627   4.050
  421    HZ   PHE  59           HZ       PHE  59  18.245   1.959   3.370

  No H/Q in entry =         421
  Start of MODEL   24
    1    H    GLU   1           H        GLU   1   5.393 -15.463  17.258
    2    HA   GLU   1           HA       GLU   1   4.571 -13.148  18.706
    3   1HB   GLU   1          1HB       GLU   1   6.089 -15.374  20.019
    4   2HB   GLU   1          2HB       GLU   1   6.639 -13.746  20.359
    5   1HG   GLU   1          1HG       GLU   1   4.564 -13.104  21.329
    6   2HG   GLU   1          2HG       GLU   1   3.684 -14.402  20.547
    7    H    GLU   2           H        GLU   2   5.340 -12.842  16.261
    8    HA   GLU   2           HA       GLU   2   8.114 -12.020  16.485
    9   1HB   GLU   2          1HB       GLU   2   6.948 -13.921  14.481
   10   2HB   GLU   2          2HB       GLU   2   8.084 -12.737  13.865
   11   1HG   GLU   2          1HG       GLU   2   9.032 -13.946  16.378
   12   2HG   GLU   2          2HG       GLU   2   8.726 -15.161  15.153
   13    H    TYR   3           H        TYR   3   5.218 -12.007  14.276
   14    HA   TYR   3           HA       TYR   3   5.096  -9.152  14.395
   15   1HB   TYR   3          1HB       TYR   3   5.849  -8.750  12.151
   16   2HB   TYR   3          2HB       TYR   3   6.965  -9.994  12.678
   17    HD1  TYR   3           HD1      TYR   3   6.498 -12.415  12.021
   18    HD2  TYR   3           HD2      TYR   3   4.405  -9.103  10.302
   19    HE1  TYR   3           HE1      TYR   3   5.786 -13.872  10.063
   20    HE2  TYR   3           HE2      TYR   3   3.700 -10.572   8.349
   21    HH   TYR   3           HH       TYR   3   3.614 -12.606   7.570
   22    H    VAL   4           H        VAL   4   3.178  -8.306  13.283
   23    HA   VAL   4           HA       VAL   4   1.440  -9.892  11.816
   24    HB   VAL   4           HB       VAL   4   1.152 -11.275  13.727
   25   1HG1  VAL   4          1HG1      VAL   4   2.016  -9.482  15.345
   26   2HG1  VAL   4          2HG1      VAL   4   0.335  -8.901  15.412
   27   3HG1  VAL   4          3HG1      VAL   4   0.725 -10.557  15.933
   28   1HG2  VAL   4          1HG2      VAL   4  -1.163  -9.341  13.399
   29   2HG2  VAL   4          2HG2      VAL   4  -0.897 -10.875  12.536
   30   3HG2  VAL   4          3HG2      VAL   4  -1.268 -10.886  14.277
   31    H    GLY   5           H        GLY   5   1.738  -7.743  10.798
   32   1HA   GLY   5          1HA       GLY   5  -0.366  -6.121  10.788
   33   2HA   GLY   5          2HA       GLY   5   1.262  -5.535  10.510
   34    H    LEU   6           H        LEU   6   2.469  -4.529  12.252
   35    HA   LEU   6           HA       LEU   6   0.752  -3.782  14.517
   36   1HB   LEU   6          1HB       LEU   6   2.896  -3.472  15.761
   37   2HB   LEU   6          2HB       LEU   6   2.459  -5.127  15.385
   38    HG   LEU   6           HG       LEU   6   4.228  -3.841  13.397
   39   1HD1  LEU   6          1HD1      LEU   6   4.849  -3.596  16.201
   40   2HD1  LEU   6          2HD1      LEU   6   6.025  -4.664  15.398
   41   3HD1  LEU   6          3HD1      LEU   6   5.752  -3.017  14.780
   42   1HD2  LEU   6          1HD2      LEU   6   3.735  -6.504  14.583
   43   2HD2  LEU   6          2HD2      LEU   6   4.136  -6.037  12.913
   44   3HD2  LEU   6          3HD2      LEU   6   5.423  -6.157  14.137
   45    H    SER   7           H        SER   7   3.223  -2.759  12.111
   46    HA   SER   7           HA       SER   7   2.211  -0.060  12.502
   47   1HB   SER   7          1HB       SER   7   4.421   0.890  12.388
   48   2HB   SER   7          2HB       SER   7   4.473  -0.373  13.602
   49    HG   SER   7           HG       SER   7   5.215  -1.790  11.689
   50    H    ALA   8           H        ALA   8   4.249   0.880  10.438
   51    HA   ALA   8           HA       ALA   8   2.797  -0.141   8.113
   52   1HB   ALA   8          1HB       ALA   8   4.529   2.340   8.461
   53   2HB   ALA   8          2HB       ALA   8   3.549   1.928   7.033
   54   3HB   ALA   8          3HB       ALA   8   2.753   2.300   8.580
   55    H    ASN   9           H        ASN   9   4.931  -1.671   9.521
   56    HA   ASN   9           HA       ASN   9   7.383  -1.444   8.446
   57   1HB   ASN   9          1HB       ASN   9   5.894  -3.434   9.853
   58   2HB   ASN   9          2HB       ASN   9   6.564  -4.262   8.462
   59   2HD2  ASN   9          2HD2      ASN   9   7.363  -4.971  10.932
   60   1HD2  ASN   9          1HD2      ASN   9   8.999  -4.495  11.242
   61    H    GLN  10           H        GLN  10   4.569  -3.378   7.167
   62    HA   GLN  10           HA       GLN  10   5.896  -4.188   4.856
   63   1HB   GLN  10          1HB       GLN  10   3.540  -4.734   4.056
   64   2HB   GLN  10          2HB       GLN  10   3.993  -5.449   5.591
   65   1HG   GLN  10          1HG       GLN  10   2.918  -2.925   6.285
   66   2HG   GLN  10          2HG       GLN  10   1.872  -3.505   5.004
   67   2HE2  GLN  10          2HE2      GLN  10   3.071  -4.009   8.218
   68   1HE2  GLN  10          1HE2      GLN  10   1.962  -5.242   8.719
   69    H    CYS  11           H        CYS  11   4.180  -1.234   5.763
   70    HA   CYS  11           HA       CYS  11   4.406  -0.330   2.985
   71   1HB   CYS  11          1HB       CYS  11   2.714   1.172   4.908
   72   2HB   CYS  11          2HB       CYS  11   2.514   0.916   3.186
   73    H    ALA  12           H        ALA  12   6.745  -0.411   4.485
   74    HA   ALA  12           HA       ALA  12   7.063   2.382   5.351
   75   1HB   ALA  12          1HB       ALA  12   9.160   1.125   6.502
   76   2HB   ALA  12          2HB       ALA  12   7.572   1.276   7.293
   77   3HB   ALA  12          3HB       ALA  12   8.007  -0.230   6.450
   78    H    VAL  13           H        VAL  13   7.120   2.129   2.685
   79    HA   VAL  13           HA       VAL  13   9.870   1.554   1.909
   80    HB   VAL  13           HB       VAL  13   7.924   2.474  -0.101
   81   1HG1  VAL  13          1HG1      VAL  13  10.189   0.615   0.161
   82   2HG1  VAL  13          2HG1      VAL  13   8.861  -0.005  -0.848
   83   3HG1  VAL  13          3HG1      VAL  13   9.627   1.552  -1.244
   84   1HG2  VAL  13          1HG2      VAL  13   7.343   0.141   1.693
   85   2HG2  VAL  13          2HG2      VAL  13   6.231   1.318   0.955
   86   3HG2  VAL  13          3HG2      VAL  13   6.944   0.023  -0.037
   87    HA   PRO  14           HA       PRO  14  10.873   5.755   1.767
   88   1HB   PRO  14          1HB       PRO  14  12.963   5.743   0.007
   89   2HB   PRO  14          2HB       PRO  14  13.127   5.289   1.692
   90   1HG   PRO  14          1HG       PRO  14  13.071   3.552  -0.700
   91   2HG   PRO  14          2HG       PRO  14  13.648   3.181   0.913
   92   1HD   PRO  14          1HD       PRO  14  11.166   2.345  -0.257
   93   2HD   PRO  14          2HD       PRO  14  11.691   2.073   1.393
   94    H    ALA  15           H        ALA  15   9.241   4.272  -0.595
   95    HA   ALA  15           HA       ALA  15   7.802   5.247  -2.032
   96   1HB   ALA  15          1HB       ALA  15   9.290   7.819  -2.294
   97   2HB   ALA  15          2HB       ALA  15   7.542   7.518  -2.139
   98   3HB   ALA  15          3HB       ALA  15   8.584   7.473  -0.697
   99    H    LYS  16           H        LYS  16  11.286   5.190  -2.201
  100    HA   LYS  16           HA       LYS  16  11.258   5.395  -5.101
  101   1HB   LYS  16          1HB       LYS  16  13.705   5.348  -4.889
  102   2HB   LYS  16          2HB       LYS  16  12.985   6.623  -3.927
  103   1HG   LYS  16          1HG       LYS  16  14.697   5.491  -2.591
  104   2HG   LYS  16          2HG       LYS  16  13.124   5.161  -1.894
  105   1HD   LYS  16          1HD       LYS  16  13.117   2.921  -2.598
  106   2HD   LYS  16          2HD       LYS  16  14.183   3.229  -3.955
  107   1HE   LYS  16          1HE       LYS  16  15.817   3.902  -1.816
  108   2HE   LYS  16          2HE       LYS  16  14.858   2.609  -1.124
  109   1HZ   LYS  16          1HZ       LYS  16  15.450   1.589  -3.488
  110   2HZ   LYS  16          2HZ       LYS  16  16.783   2.500  -3.247
  111   3HZ   LYS  16          3HZ       LYS  16  16.367   1.358  -2.157
  112    H    ASP  17           H        ASP  17  10.331   3.097  -2.986
  113    HA   ASP  17           HA       ASP  17  11.441   1.007  -4.685
  114   1HB   ASP  17          1HB       ASP  17  11.694   1.341  -1.826
  115   2HB   ASP  17          2HB       ASP  17  10.675  -0.057  -2.110
  116    H    ARG  18           H        ARG  18   8.852   2.707  -4.560
  117    HA   ARG  18           HA       ARG  18   6.862   0.953  -3.611
  118   1HB   ARG  18          1HB       ARG  18   6.458   3.241  -5.591
  119   2HB   ARG  18          2HB       ARG  18   5.292   2.608  -4.445
  120   1HG   ARG  18          1HG       ARG  18   7.917   3.765  -3.453
  121   2HG   ARG  18          2HG       ARG  18   6.594   4.834  -3.876
  122   1HD   ARG  18          1HD       ARG  18   5.311   2.911  -2.314
  123   2HD   ARG  18          2HD       ARG  18   6.879   3.024  -1.540
  124    HE   ARG  18           HE       ARG  18   5.564   5.603  -2.160
  125   1HH1  ARG  18          1HH1      ARG  18   6.241   3.125   0.246
  126   2HH1  ARG  18          2HH1      ARG  18   5.892   4.157   1.593
  127   1HH2  ARG  18          1HH2      ARG  18   5.103   6.964  -0.383
  128   2HH2  ARG  18          2HH2      ARG  18   5.240   6.356   1.233
  129    H    VAL  19           H        VAL  19   5.535  -0.498  -4.789
  130    HA   VAL  19           HA       VAL  19   6.500  -1.078  -7.485
  131    HB   VAL  19           HB       VAL  19   4.606  -2.799  -5.929
  132   1HG1  VAL  19          1HG1      VAL  19   6.159  -3.006  -8.339
  133   2HG1  VAL  19          2HG1      VAL  19   6.701  -4.248  -7.184
  134   3HG1  VAL  19          3HG1      VAL  19   4.987  -4.158  -7.655
  135   1HG2  VAL  19          1HG2      VAL  19   6.354  -2.190  -4.311
  136   2HG2  VAL  19          2HG2      VAL  19   6.483  -3.899  -4.795
  137   3HG2  VAL  19          3HG2      VAL  19   7.608  -2.695  -5.469
  138    H    ASP  20           H        ASP  20   4.212   0.837  -6.020
  139    HA   ASP  20           HA       ASP  20   2.267   1.644  -6.565
  140   1HB   ASP  20          1HB       ASP  20   3.344   2.615  -8.456
  141   2HB   ASP  20          2HB       ASP  20   3.505   1.073  -9.273
  142    H    CYS  21           H        CYS  21   0.664   0.198  -5.782
  143    HA   CYS  21           HA       CYS  21   0.189  -2.299  -7.006
  144   1HB   CYS  21          1HB       CYS  21  -0.377  -1.222  -4.581
  145   2HB   CYS  21          2HB       CYS  21  -1.947  -1.095  -5.349
  146    H    GLY  22           H        GLY  22  -0.860   1.027  -7.515
  147   1HA   GLY  22          1HA       GLY  22  -2.157   0.394  -9.955
  148   2HA   GLY  22          2HA       GLY  22  -2.106   1.949  -9.150
  149    H    TYR  23           H        TYR  23  -3.793   2.586  -7.709
  150    HA   TYR  23           HA       TYR  23  -6.193   0.932  -7.984
  151   1HB   TYR  23          1HB       TYR  23  -4.663   1.904  -5.548
  152   2HB   TYR  23          2HB       TYR  23  -6.410   1.983  -5.442
  153    HD1  TYR  23           HD1      TYR  23  -7.691  -0.245  -6.075
  154    HD2  TYR  23           HD2      TYR  23  -3.573  -0.063  -4.928
  155    HE1  TYR  23           HE1      TYR  23  -7.756  -2.702  -5.425
  156    HE2  TYR  23           HE2      TYR  23  -3.652  -2.520  -4.282
  157    HH   TYR  23           HH       TYR  23  -5.818  -4.104  -3.490
  158    HA   PRO  24           HA       PRO  24  -7.987   4.789  -8.783
  159   1HB   PRO  24          1HB       PRO  24 -10.633   4.198  -8.444
  160   2HB   PRO  24          2HB       PRO  24  -9.746   3.815  -9.906
  161   1HG   PRO  24          1HG       PRO  24 -10.618   2.003  -7.739
  162   2HG   PRO  24          2HG       PRO  24 -10.122   1.603  -9.372
  163   1HD   PRO  24          1HD       PRO  24  -8.567   1.292  -6.982
  164   2HD   PRO  24          2HD       PRO  24  -8.032   1.003  -8.625
  165    H    HIS  25           H        HIS  25 -10.156   3.580  -6.289
  166    HA   HIS  25           HA       HIS  25  -9.823   6.119  -4.953
  167   1HB   HIS  25          1HB       HIS  25 -11.772   5.585  -3.751
  168   2HB   HIS  25          2HB       HIS  25 -12.060   5.034  -5.390
  169    HD1  HIS  25           HD1      HIS  25 -13.553   3.890  -2.842
  170    HD2  HIS  25           HD2      HIS  25 -10.268   2.110  -4.749
  171    HE1  HIS  25           HE1      HIS  25 -13.642   1.410  -2.252
  172    HE2  HIS  25           HE2      HIS  25 -11.631   0.359  -3.497
  173    H    VAL  26           H        VAL  26  -7.613   5.902  -4.237
  174    HA   VAL  26           HA       VAL  26  -7.111   3.726  -2.367
  175    HB   VAL  26           HB       VAL  26  -4.789   4.620  -2.442
  176   1HG1  VAL  26          1HG1      VAL  26  -6.063   3.914  -5.107
  177   2HG1  VAL  26          2HG1      VAL  26  -4.319   3.857  -4.755
  178   3HG1  VAL  26          3HG1      VAL  26  -5.438   2.776  -3.890
  179   1HG2  VAL  26          1HG2      VAL  26  -5.859   6.952  -3.300
  180   2HG2  VAL  26          2HG2      VAL  26  -4.164   6.483  -3.575
  181   3HG2  VAL  26          3HG2      VAL  26  -5.373   6.243  -4.859
  182    H    THR  27           H        THR  27  -6.797   4.022  -0.161
  183    HA   THR  27           HA       THR  27  -6.694   6.715   0.892
  184    HB   THR  27           HB       THR  27  -8.799   6.677   1.974
  185    HG1  THR  27           HG1      THR  27  -8.404   3.824   1.507
  186   1HG2  THR  27          1HG2      THR  27  -9.247   4.947  -0.516
  187   2HG2  THR  27          2HG2      THR  27 -10.524   5.798   0.387
  188   3HG2  THR  27          3HG2      THR  27  -9.277   6.727  -0.479
  189    HA   PRO  28           HA       PRO  28  -4.598   4.771   4.098
  190   1HB   PRO  28          1HB       PRO  28  -5.379   6.055   6.380
  191   2HB   PRO  28          2HB       PRO  28  -4.232   6.735   5.243
  192   1HG   PRO  28          1HG       PRO  28  -7.067   7.456   5.671
  193   2HG   PRO  28          2HG       PRO  28  -5.809   8.376   4.870
  194   1HD   PRO  28          1HD       PRO  28  -7.921   6.900   3.611
  195   2HD   PRO  28          2HD       PRO  28  -6.597   7.723   2.811
  196    H    LYS  29           H        LYS  29  -6.852   3.309   3.246
  197    HA   LYS  29           HA       LYS  29  -6.931   1.422   5.277
  198   1HB   LYS  29          1HB       LYS  29  -8.336   3.411   6.259
  199   2HB   LYS  29          2HB       LYS  29  -9.588   2.824   5.183
  200   1HG   LYS  29          1HG       LYS  29  -8.189   0.726   6.796
  201   2HG   LYS  29          2HG       LYS  29  -9.171   1.851   7.714
  202   1HD   LYS  29          1HD       LYS  29 -10.264   0.486   5.224
  203   2HD   LYS  29          2HD       LYS  29 -10.313  -0.309   6.785
  204   1HE   LYS  29          1HE       LYS  29 -11.295   2.507   6.804
  205   2HE   LYS  29          2HE       LYS  29 -12.261   1.409   5.839
  206   1HZ   LYS  29          1HZ       LYS  29 -11.792   0.004   8.078
  207   2HZ   LYS  29          2HZ       LYS  29 -11.957   1.520   8.662
  208   3HZ   LYS  29          3HZ       LYS  29 -13.153   0.854   7.772
  209    H    GLU  30           H        GLU  30  -9.075   2.976   2.790
  210    HA   GLU  30           HA       GLU  30 -10.139   0.591   1.898
  211   1HB   GLU  30          1HB       GLU  30 -10.969   2.954   1.432
  212   2HB   GLU  30          2HB       GLU  30  -9.694   3.111   0.241
  213   1HG   GLU  30          1HG       GLU  30 -10.917   1.982  -1.299
  214   2HG   GLU  30          2HG       GLU  30 -11.082   0.608  -0.223
  215    H    CYS  31           H        CYS  31  -7.256   2.477   0.801
  216    HA   CYS  31           HA       CYS  31  -6.669   0.835  -1.376
  217   1HB   CYS  31          1HB       CYS  31  -5.586   2.830  -1.521
  218   2HB   CYS  31          2HB       CYS  31  -5.244   2.913   0.196
  219    H    ASN  32           H        ASN  32  -5.931   0.723   2.130
  220    HA   ASN  32           HA       ASN  32  -4.169  -1.508   1.744
  221   1HB   ASN  32          1HB       ASN  32  -3.373  -0.913   3.811
  222   2HB   ASN  32          2HB       ASN  32  -4.393   0.506   3.682
  223   2HD2  ASN  32          2HD2      ASN  32  -3.651  -2.174   5.482
  224   1HD2  ASN  32          1HD2      ASN  32  -5.060  -2.297   6.482
  225    H    ASN  33           H        ASN  33  -7.438  -1.119   1.589
  226    HA   ASN  33           HA       ASN  33  -8.048  -3.432   3.233
  227   1HB   ASN  33          1HB       ASN  33  -9.481  -1.422   3.562
  228   2HB   ASN  33          2HB       ASN  33  -9.864  -1.387   1.852
  229   2HD2  ASN  33          2HD2      ASN  33 -11.407  -2.670   1.025
  230   1HD2  ASN  33          1HD2      ASN  33 -12.390  -3.768   1.934
  231    H    ARG  34           H        ARG  34  -8.095  -2.047  -0.081
  232    HA   ARG  34           HA       ARG  34  -9.584  -4.046  -1.276
  233   1HB   ARG  34          1HB       ARG  34  -8.556  -1.670  -2.112
  234   2HB   ARG  34          2HB       ARG  34  -7.361  -2.732  -2.830
  235   1HG   ARG  34          1HG       ARG  34 -10.376  -3.039  -3.219
  236   2HG   ARG  34          2HG       ARG  34  -9.320  -2.216  -4.349
  237   1HD   ARG  34          1HD       ARG  34  -7.933  -4.505  -4.236
  238   2HD   ARG  34          2HD       ARG  34  -9.462  -5.165  -3.690
  239    HE   ARG  34           HE       ARG  34  -8.822  -4.335  -6.386
  240   1HH1  ARG  34          1HH1      ARG  34 -11.475  -4.476  -4.079
  241   2HH1  ARG  34          2HH1      ARG  34 -12.702  -4.538  -5.299
  242   1HH2  ARG  34          1HH2      ARG  34 -10.441  -4.416  -7.997
  243   2HH2  ARG  34          2HH2      ARG  34 -12.110  -4.503  -7.543
  244    H    GLY  35           H        GLY  35  -6.224  -3.873  -0.200
  245   1HA   GLY  35          1HA       GLY  35  -5.670  -6.461  -1.526
  246   2HA   GLY  35          2HA       GLY  35  -5.275  -6.139   0.151
  247    H    CYS  36           H        CYS  36  -3.829  -4.143   0.569
  248    HA   CYS  36           HA       CYS  36  -1.434  -4.456  -0.659
  249   1HB   CYS  36          1HB       CYS  36  -3.142  -3.146  -2.462
  250   2HB   CYS  36          2HB       CYS  36  -2.108  -1.888  -1.813
  251    H    CYS  37           H        CYS  37  -0.597  -1.617  -0.665
  252    HA   CYS  37           HA       CYS  37  -1.245  -0.934   2.110
  253   1HB   CYS  37          1HB       CYS  37   1.399  -1.138   0.736
  254   2HB   CYS  37          2HB       CYS  37   1.183   0.115   1.942
  255    H    PHE  38           H        PHE  38  -1.250   1.410   2.549
  256    HA   PHE  38           HA       PHE  38  -1.578   2.968   0.081
  257   1HB   PHE  38          1HB       PHE  38  -3.685   2.642   1.349
  258   2HB   PHE  38          2HB       PHE  38  -2.888   3.037   2.859
  259    HD1  PHE  38           HD1      PHE  38  -4.198   4.422  -0.285
  260    HD2  PHE  38           HD2      PHE  38  -2.545   5.318   3.519
  261    HE1  PHE  38           HE1      PHE  38  -4.877   6.823  -0.555
  262    HE2  PHE  38           HE2      PHE  38  -3.224   7.719   3.249
  263    HZ   PHE  38           HZ       PHE  38  -4.382   8.443   1.215
  264    H    ASP  39           H        ASP  39  -1.392   5.474   0.660
  265    HA   ASP  39           HA       ASP  39   0.203   6.231   2.776
  266   1HB   ASP  39          1HB       ASP  39   2.030   5.001   1.741
  267   2HB   ASP  39          2HB       ASP  39   1.668   5.671   0.163
  268    H    SER  40           H        SER  40   0.428   8.576   2.738
  269    HA   SER  40           HA       SER  40  -0.447   9.837   0.270
  270   1HB   SER  40          1HB       SER  40  -1.934  11.348   1.504
  271   2HB   SER  40          2HB       SER  40  -2.406   9.684   1.791
  272    HG   SER  40           HG       SER  40  -0.694  11.197   3.573
  273    H    ARG  41           H        ARG  41   2.114   9.371   2.054
  274    HA   ARG  41           HA       ARG  41   2.826  11.763   3.182
  275   1HB   ARG  41          1HB       ARG  41   3.987   9.315   3.013
  276   2HB   ARG  41          2HB       ARG  41   4.943  10.127   1.789
  277   1HG   ARG  41          1HG       ARG  41   5.244  12.018   3.596
  278   2HG   ARG  41          2HG       ARG  41   4.700  10.806   4.739
  279   1HD   ARG  41          1HD       ARG  41   6.915  10.220   4.837
  280   2HD   ARG  41          2HD       ARG  41   6.580   9.352   3.352
  281    HE   ARG  41           HE       ARG  41   7.222  12.142   2.833
  282   1HH1  ARG  41          1HH1      ARG  41   8.643   8.997   3.522
  283   2HH1  ARG  41          2HH1      ARG  41  10.156   9.374   2.768
  284   1HH2  ARG  41          1HH2      ARG  41   9.218  12.639   1.838
  285   2HH2  ARG  41          2HH2      ARG  41  10.485  11.459   1.804
  286    H    ILE  42           H        ILE  42   3.403  10.471  -0.161
  287    HA   ILE  42           HA       ILE  42   3.611  13.215  -1.095
  288    HB   ILE  42           HB       ILE  42   5.605  12.026  -2.536
  289   1HG1  ILE  42          1HG1      ILE  42   7.158  11.037  -0.875
  290   2HG1  ILE  42          2HG1      ILE  42   5.887  11.079   0.331
  291   1HG2  ILE  42          1HG2      ILE  42   5.325  14.085  -0.494
  292   2HG2  ILE  42          2HG2      ILE  42   6.939  13.334  -0.485
  293   3HG2  ILE  42          3HG2      ILE  42   6.306  14.065  -1.979
  294   1HD1  ILE  42          1HD1      ILE  42   5.033   9.813  -2.206
  295   2HD1  ILE  42          2HD1      ILE  42   6.373   8.966  -1.397
  296   3HD1  ILE  42          3HD1      ILE  42   4.843   9.242  -0.531
  297    HA   PRO  43           HA       PRO  43   1.154  11.370  -4.149
  298   1HB   PRO  43          1HB       PRO  43   0.902  13.505  -5.835
  299   2HB   PRO  43          2HB       PRO  43  -0.086  13.293  -4.403
  300   1HG   PRO  43          1HG       PRO  43   2.177  15.146  -4.836
  301   2HG   PRO  43          2HG       PRO  43   0.929  15.205  -3.607
  302   1HD   PRO  43          1HD       PRO  43   3.642  14.341  -3.258
  303   2HD   PRO  43          2HD       PRO  43   2.363  14.292  -2.060
  304    H    GLY  44           H        GLY  44   4.056  13.082  -5.085
  305   1HA   GLY  44          1HA       GLY  44   5.716  12.354  -6.453
  306   2HA   GLY  44          2HA       GLY  44   4.433  12.410  -7.646
  307    H    VAL  45           H        VAL  45   4.855  10.172  -4.824
  308    HA   VAL  45           HA       VAL  45   5.441   8.003  -6.664
  309    HB   VAL  45           HB       VAL  45   6.325   6.908  -4.879
  310   1HG1  VAL  45          1HG1      VAL  45   7.079   9.494  -5.096
  311   2HG1  VAL  45          2HG1      VAL  45   6.562   9.471  -3.393
  312   3HG1  VAL  45          3HG1      VAL  45   7.821   8.346  -3.956
  313   1HG2  VAL  45          1HG2      VAL  45   4.196   8.263  -3.228
  314   2HG2  VAL  45          2HG2      VAL  45   4.496   6.527  -3.477
  315   3HG2  VAL  45          3HG2      VAL  45   5.596   7.482  -2.455
  316    HA   PRO  46           HA       PRO  46   1.516   6.205  -6.407
  317   1HB   PRO  46          1HB       PRO  46   1.956   3.530  -6.064
  318   2HB   PRO  46          2HB       PRO  46   2.133   4.340  -7.608
  319   1HG   PRO  46          1HG       PRO  46   4.237   3.384  -5.765
  320   2HG   PRO  46          2HG       PRO  46   4.370   3.797  -7.463
  321   1HD   PRO  46          1HD       PRO  46   5.228   5.389  -5.237
  322   2HD   PRO  46          2HD       PRO  46   5.254   5.850  -6.928
  323    H    TRP  47           H        TRP  47   0.553   7.257  -4.680
  324    HA   TRP  47           HA       TRP  47   0.929   6.953  -2.092
  325   1HB   TRP  47          1HB       TRP  47  -1.544   7.242  -3.719
  326   2HB   TRP  47          2HB       TRP  47  -1.743   6.873  -2.017
  327    HD1  TRP  47           HD1      TRP  47   1.174   9.149  -3.070
  328    HE1  TRP  47           HE1      TRP  47   0.824  11.620  -2.213
  329    HE3  TRP  47           HE3      TRP  47  -3.590   8.463  -1.431
  330    HZ2  TRP  47           HZ2      TRP  47  -1.358  12.980  -0.974
  331    HZ3  TRP  47           HZ3      TRP  47  -4.759  10.414  -0.410
  332    HH2  TRP  47           HH2      TRP  47  -3.720  12.613  -0.169
  333    H    CYS  48           H        CYS  48  -1.037   4.644  -4.104
  334    HA   CYS  48           HA       CYS  48  -0.952   2.761  -1.900
  335   1HB   CYS  48          1HB       CYS  48  -3.035   3.343  -3.318
  336   2HB   CYS  48          2HB       CYS  48  -2.318   2.316  -4.544
  337    H    PHE  49           H        PHE  49   0.892   1.517  -1.807
  338    HA   PHE  49           HA       PHE  49   1.882   0.466  -4.359
  339   1HB   PHE  49          1HB       PHE  49   4.181   0.662  -3.123
  340   2HB   PHE  49          2HB       PHE  49   3.471   2.166  -3.677
  341    HD1  PHE  49           HD1      PHE  49   3.594  -0.021  -0.658
  342    HD2  PHE  49           HD2      PHE  49   3.243   3.923  -2.184
  343    HE1  PHE  49           HE1      PHE  49   3.705   0.892   1.677
  344    HE2  PHE  49           HE2      PHE  49   3.354   4.837   0.151
  345    HZ   PHE  49           HZ       PHE  49   3.584   3.310   2.054
  346    H    LYS  50           H        LYS  50   3.273  -1.541  -4.039
  347    HA   LYS  50           HA       LYS  50   1.848  -3.371  -2.439
  348   1HB   LYS  50          1HB       LYS  50   4.377  -3.535  -4.084
  349   2HB   LYS  50          2HB       LYS  50   3.792  -4.900  -3.154
  350   1HG   LYS  50          1HG       LYS  50   1.495  -3.951  -4.495
  351   2HG   LYS  50          2HG       LYS  50   2.774  -3.801  -5.684
  352   1HD   LYS  50          1HD       LYS  50   3.178  -6.327  -4.409
  353   2HD   LYS  50          2HD       LYS  50   1.456  -6.210  -4.714
  354   1HE   LYS  50          1HE       LYS  50   2.511  -5.246  -7.098
  355   2HE   LYS  50          2HE       LYS  50   3.704  -6.448  -6.645
  356   1HZ   LYS  50          1HZ       LYS  50   0.947  -7.236  -6.364
  357   2HZ   LYS  50          2HZ       LYS  50   1.482  -7.044  -7.895
  358   3HZ   LYS  50          3HZ       LYS  50   2.229  -8.097  -6.896
  359    HA   PRO  51           HA       PRO  51   4.079  -3.289   1.254
  360   1HB   PRO  51          1HB       PRO  51   4.157  -5.903   2.046
  361   2HB   PRO  51          2HB       PRO  51   2.741  -4.887   2.232
  362   1HG   PRO  51          1HG       PRO  51   3.231  -7.042   0.268
  363   2HG   PRO  51          2HG       PRO  51   1.708  -6.318   0.747
  364   1HD   PRO  51          1HD       PRO  51   3.160  -5.816  -1.675
  365   2HD   PRO  51          2HD       PRO  51   1.699  -5.009  -1.143
  366    H    LEU  52           H        LEU  52   6.105  -2.604   1.475
  367    HA   LEU  52           HA       LEU  52   8.172  -3.221  -0.048
  368   1HB   LEU  52          1HB       LEU  52   8.369  -1.574   1.626
  369   2HB   LEU  52          2HB       LEU  52   8.082  -2.724   2.918
  370    HG   LEU  52           HG       LEU  52  10.525  -2.839   1.137
  371   1HD1  LEU  52          1HD1      LEU  52  10.190  -0.653   2.480
  372   2HD1  LEU  52          2HD1      LEU  52  10.549  -1.659   3.904
  373   3HD1  LEU  52          3HD1      LEU  52  11.747  -1.508   2.596
  374   1HD2  LEU  52          1HD2      LEU  52   9.487  -4.450   3.347
  375   2HD2  LEU  52          2HD2      LEU  52  10.739  -4.822   2.137
  376   3HD2  LEU  52          3HD2      LEU  52  11.161  -3.901   3.601
  377    H    GLN  53           H        GLN  53   9.519  -4.905  -0.535
  378    HA   GLN  53           HA       GLN  53   8.747  -7.452   0.157
  379   1HB   GLN  53          1HB       GLN  53  11.161  -8.010  -0.716
  380   2HB   GLN  53          2HB       GLN  53   9.989  -7.318  -1.820
  381   1HG   GLN  53          1HG       GLN  53  11.565  -5.309  -0.284
  382   2HG   GLN  53          2HG       GLN  53  12.519  -6.297  -1.372
  383   2HE2  GLN  53          2HE2      GLN  53  10.971  -3.481  -1.137
  384   1HE2  GLN  53          1HE2      GLN  53  10.496  -3.184  -2.776
  385    H    GLU  54           H        GLU  54   8.521  -7.505   2.491
  386    HA   GLU  54           HA       GLU  54  10.581  -6.845   4.208
  387   1HB   GLU  54          1HB       GLU  54   9.294  -8.039   5.909
  388   2HB   GLU  54          2HB       GLU  54   8.197  -7.151   4.872
  389   1HG   GLU  54          1HG       GLU  54   7.081  -9.102   4.548
  390   2HG   GLU  54          2HG       GLU  54   8.437  -9.625   3.569
  391    H    ALA  55           H        ALA  55  12.617  -7.691   3.706
  392    HA   ALA  55           HA       ALA  55  12.823 -10.600   3.997
  393   1HB   ALA  55          1HB       ALA  55  14.276 -10.775   2.124
  394   2HB   ALA  55          2HB       ALA  55  12.912  -9.778   1.562
  395   3HB   ALA  55          3HB       ALA  55  14.456  -9.008   1.997
  396    H    GLU  56           H        GLU  56  14.781  -7.550   3.653
  397    HA   GLU  56           HA       GLU  56  16.875  -8.501   5.188
  398   1HB   GLU  56          1HB       GLU  56  15.938  -5.692   4.495
  399   2HB   GLU  56          2HB       GLU  56  17.393  -5.974   5.431
  400   1HG   GLU  56          1HG       GLU  56  18.252  -7.458   3.567
  401   2HG   GLU  56          2HG       GLU  56  16.832  -7.047   2.626
  402    H    CYS  57           H        CYS  57  17.254  -8.614   7.386
  403    HA   CYS  57           HA       CYS  57  15.192  -8.588   9.160
  404   1HB   CYS  57          1HB       CYS  57  18.158  -8.231   9.562
  405   2HB   CYS  57          2HB       CYS  57  17.042  -8.295  10.912
  406    H    THR  58           H        THR  58  17.830  -6.074   8.967
  407    HA   THR  58           HA       THR  58  15.810  -4.087   9.780
  408    HB   THR  58           HB       THR  58  18.753  -4.386  10.577
  409    HG1  THR  58           HG1      THR  58  17.459  -5.635  11.942
  410   1HG2  THR  58          1HG2      THR  58  16.784  -2.114  10.816
  411   2HG2  THR  58          2HG2      THR  58  17.763  -2.499  12.252
  412   3HG2  THR  58          3HG2      THR  58  18.561  -2.059  10.722
  413    H    PHE  59           H        PHE  59  19.134  -4.275   8.326
  414    HA   PHE  59           HA       PHE  59  18.134  -2.383   6.315
  415   1HB   PHE  59          1HB       PHE  59  20.702  -2.616   7.948
  416   2HB   PHE  59          2HB       PHE  59  20.786  -1.865   6.367
  417    HD1  PHE  59           HD1      PHE  59  18.411  -0.256   6.172
  418    HD2  PHE  59           HD2      PHE  59  20.854  -0.983   9.565
  419    HE1  PHE  59           HE1      PHE  59  17.676   1.927   7.170
  420    HE2  PHE  59           HE2      PHE  59  20.119   1.200  10.563
  421    HZ   PHE  59           HZ       PHE  59  18.538   2.629   9.353

  No H/Q in entry =         421
  Start of MODEL   25
    1    H    GLU   1           H        GLU   1   1.274 -15.629  17.812
    2    HA   GLU   1           HA       GLU   1   2.937 -15.601  19.504
    3   1HB   GLU   1          1HB       GLU   1   2.849 -17.374  17.370
    4   2HB   GLU   1          2HB       GLU   1   4.539 -16.911  17.381
    5   1HG   GLU   1          1HG       GLU   1   4.800 -17.588  19.704
    6   2HG   GLU   1          2HG       GLU   1   3.071 -17.787  19.906
    7    H    GLU   2           H        GLU   2   3.995 -14.297  16.322
    8    HA   GLU   2           HA       GLU   2   5.950 -12.734  17.782
    9   1HB   GLU   2          1HB       GLU   2   7.706 -13.178  16.139
   10   2HB   GLU   2          2HB       GLU   2   7.157 -14.694  16.824
   11   1HG   GLU   2          1HG       GLU   2   5.867 -15.239  14.861
   12   2HG   GLU   2          2HG       GLU   2   5.975 -13.605  14.239
   13    H    TYR   3           H        TYR   3   7.062 -11.274  15.698
   14    HA   TYR   3           HA       TYR   3   5.398  -9.262  15.217
   15   1HB   TYR   3          1HB       TYR   3   7.152  -8.667  13.772
   16   2HB   TYR   3          2HB       TYR   3   7.896 -10.132  14.381
   17    HD1  TYR   3           HD1      TYR   3   7.791 -12.241  13.041
   18    HD2  TYR   3           HD2      TYR   3   6.371  -8.511  11.501
   19    HE1  TYR   3           HE1      TYR   3   7.851 -13.185  10.681
   20    HE2  TYR   3           HE2      TYR   3   6.436  -9.467   9.146
   21    HH   TYR   3           HH       TYR   3   6.641 -12.711   8.524
   22    H    VAL   4           H        VAL   4   3.839  -8.590  13.698
   23    HA   VAL   4           HA       VAL   4   3.149  -9.965  11.406
   24    HB   VAL   4           HB       VAL   4   2.501 -11.845  12.660
   25   1HG1  VAL   4          1HG1      VAL   4   2.425 -10.507  14.860
   26   2HG1  VAL   4          2HG1      VAL   4   0.717 -10.200  14.461
   27   3HG1  VAL   4          3HG1      VAL   4   1.294 -11.870  14.677
   28   1HG2  VAL   4          1HG2      VAL   4   0.865 -10.955  10.927
   29   2HG2  VAL   4          2HG2      VAL   4   0.200 -12.091  12.125
   30   3HG2  VAL   4          3HG2      VAL   4  -0.104 -10.345  12.290
   31    H    GLY   5           H        GLY   5   2.865  -7.920  10.540
   32   1HA   GLY   5          1HA       GLY   5   0.483  -6.678  10.501
   33   2HA   GLY   5          2HA       GLY   5   2.006  -5.840  10.280
   34    H    LEU   6           H        LEU   6   2.913  -4.583  11.981
   35    HA   LEU   6           HA       LEU   6   1.085  -4.223  14.251
   36   1HB   LEU   6          1HB       LEU   6   3.159  -3.629  15.556
   37   2HB   LEU   6          2HB       LEU   6   2.897  -5.324  15.197
   38    HG   LEU   6           HG       LEU   6   4.512  -4.132  13.119
   39   1HD1  LEU   6          1HD1      LEU   6   5.115  -2.498  14.866
   40   2HD1  LEU   6          2HD1      LEU   6   5.633  -3.836  15.920
   41   3HD1  LEU   6          3HD1      LEU   6   6.486  -3.528  14.388
   42   1HD2  LEU   6          1HD2      LEU   6   4.562  -6.454  14.961
   43   2HD2  LEU   6          2HD2      LEU   6   4.833  -6.365  13.204
   44   3HD2  LEU   6          3HD2      LEU   6   6.134  -5.909  14.330
   45    H    SER   7           H        SER   7   3.544  -2.786  12.038
   46    HA   SER   7           HA       SER   7   2.126  -0.272  12.413
   47   1HB   SER   7          1HB       SER   7   4.113   0.978  12.617
   48   2HB   SER   7          2HB       SER   7   4.433  -0.438  13.600
   49    HG   SER   7           HG       SER   7   6.201  -0.576  12.383
   50    H    ALA   8           H        ALA   8   4.199   0.961  10.503
   51    HA   ALA   8           HA       ALA   8   2.918  -0.008   8.078
   52   1HB   ALA   8          1HB       ALA   8   4.678   2.158   7.553
   53   2HB   ALA   8          2HB       ALA   8   2.902   2.198   7.655
   54   3HB   ALA   8          3HB       ALA   8   3.883   2.518   9.105
   55    H    ASN   9           H        ASN   9   4.954  -1.634   9.558
   56    HA   ASN   9           HA       ASN   9   7.446  -1.452   8.534
   57   1HB   ASN   9          1HB       ASN   9   6.546  -3.118  10.269
   58   2HB   ASN   9          2HB       ASN   9   5.917  -4.073   8.942
   59   2HD2  ASN   9          2HD2      ASN   9   7.135  -5.660   8.287
   60   1HD2  ASN   9          1HD2      ASN   9   8.862  -5.772   8.376
   61    H    GLN  10           H        GLN  10   4.570  -3.262   7.228
   62    HA   GLN  10           HA       GLN  10   5.924  -4.179   4.958
   63   1HB   GLN  10          1HB       GLN  10   3.527  -4.620   4.132
   64   2HB   GLN  10          2HB       GLN  10   4.001  -5.407   5.625
   65   1HG   GLN  10          1HG       GLN  10   2.959  -2.792   6.286
   66   2HG   GLN  10          2HG       GLN  10   1.827  -3.566   5.195
   67   2HE2  GLN  10          2HE2      GLN  10   4.050  -5.046   7.524
   68   1HE2  GLN  10          1HE2      GLN  10   2.858  -5.793   8.535
   69    H    CYS  11           H        CYS  11   4.245  -1.176   5.790
   70    HA   CYS  11           HA       CYS  11   4.550  -0.317   3.005
   71   1HB   CYS  11          1HB       CYS  11   2.870   1.320   4.788
   72   2HB   CYS  11          2HB       CYS  11   2.639   0.865   3.111
   73    H    ALA  12           H        ALA  12   6.853  -0.420   4.563
   74    HA   ALA  12           HA       ALA  12   7.188   2.351   5.481
   75   1HB   ALA  12          1HB       ALA  12   9.356   0.966   6.439
   76   2HB   ALA  12          2HB       ALA  12   7.850   1.238   7.348
   77   3HB   ALA  12          3HB       ALA  12   8.095  -0.290   6.470
   78    H    VAL  13           H        VAL  13   7.137   1.899   2.718
   79    HA   VAL  13           HA       VAL  13   9.862   1.496   1.852
   80    HB   VAL  13           HB       VAL  13   7.810   2.518  -0.012
   81   1HG1  VAL  13          1HG1      VAL  13  10.108   0.656   0.017
   82   2HG1  VAL  13          2HG1      VAL  13   8.749   0.163  -1.021
   83   3HG1  VAL  13          3HG1      VAL  13   9.525   1.746  -1.264
   84   1HG2  VAL  13          1HG2      VAL  13   7.403   0.033   1.628
   85   2HG2  VAL  13          2HG2      VAL  13   6.219   1.244   1.082
   86   3HG2  VAL  13          3HG2      VAL  13   6.880   0.062  -0.073
   87    HA   PRO  14           HA       PRO  14  10.896   5.693   1.892
   88   1HB   PRO  14          1HB       PRO  14  12.973   5.729   0.117
   89   2HB   PRO  14          2HB       PRO  14  13.145   5.211   1.782
   90   1HG   PRO  14          1HG       PRO  14  13.058   3.565  -0.672
   91   2HG   PRO  14          2HG       PRO  14  13.643   3.130   0.922
   92   1HD   PRO  14          1HD       PRO  14  11.145   2.358  -0.259
   93   2HD   PRO  14          2HD       PRO  14  11.680   2.021   1.375
   94    H    ALA  15           H        ALA  15   9.175   4.342  -0.455
   95    HA   ALA  15           HA       ALA  15   7.758   5.364  -1.867
   96   1HB   ALA  15          1HB       ALA  15   8.732   7.564  -0.473
   97   2HB   ALA  15          2HB       ALA  15   7.440   7.594  -1.697
   98   3HB   ALA  15          3HB       ALA  15   9.119   7.953  -2.166
   99    H    LYS  16           H        LYS  16  11.194   5.130  -2.059
  100    HA   LYS  16           HA       LYS  16  11.168   5.532  -4.949
  101   1HB   LYS  16          1HB       LYS  16  13.617   5.442  -4.756
  102   2HB   LYS  16          2HB       LYS  16  12.920   6.687  -3.739
  103   1HG   LYS  16          1HG       LYS  16  14.623   5.480  -2.459
  104   2HG   LYS  16          2HG       LYS  16  13.049   5.141  -1.768
  105   1HD   LYS  16          1HD       LYS  16  13.006   2.933  -2.577
  106   2HD   LYS  16          2HD       LYS  16  14.088   3.284  -3.910
  107   1HE   LYS  16          1HE       LYS  16  16.023   3.252  -2.521
  108   2HE   LYS  16          2HE       LYS  16  15.096   3.498  -1.055
  109   1HZ   LYS  16          1HZ       LYS  16  14.980   1.074  -2.714
  110   2HZ   LYS  16          2HZ       LYS  16  15.818   1.219  -1.319
  111   3HZ   LYS  16          3HZ       LYS  16  14.187   1.306  -1.305
  112    H    ASP  17           H        ASP  17  10.161   3.170  -2.989
  113    HA   ASP  17           HA       ASP  17  11.266   1.135  -4.754
  114   1HB   ASP  17          1HB       ASP  17  11.469   1.332  -1.869
  115   2HB   ASP  17          2HB       ASP  17  10.471  -0.055  -2.257
  116    H    ARG  18           H        ARG  18   8.683   2.904  -4.428
  117    HA   ARG  18           HA       ARG  18   6.683   1.077  -3.660
  118   1HB   ARG  18          1HB       ARG  18   6.299   3.584  -5.359
  119   2HB   ARG  18          2HB       ARG  18   5.122   2.831  -4.301
  120   1HG   ARG  18          1HG       ARG  18   7.744   4.084  -3.356
  121   2HG   ARG  18          2HG       ARG  18   6.186   4.884  -3.300
  122   1HD   ARG  18          1HD       ARG  18   5.412   2.739  -1.953
  123   2HD   ARG  18          2HD       ARG  18   7.127   2.479  -1.706
  124    HE   ARG  18           HE       ARG  18   7.059   4.170  -0.110
  125   1HH1  ARG  18          1HH1      ARG  18   4.533   4.790  -2.481
  126   2HH1  ARG  18          2HH1      ARG  18   3.947   6.206  -1.675
  127   1HH2  ARG  18          1HH2      ARG  18   6.286   6.039   0.953
  128   2HH2  ARG  18          2HH2      ARG  18   4.951   6.922   0.291
  129    H    VAL  19           H        VAL  19   6.092  -0.678  -4.899
  130    HA   VAL  19           HA       VAL  19   6.728  -0.727  -7.693
  131    HB   VAL  19           HB       VAL  19   5.243  -2.685  -5.930
  132   1HG1  VAL  19          1HG1      VAL  19   6.130  -2.748  -8.787
  133   2HG1  VAL  19          2HG1      VAL  19   6.260  -4.244  -7.832
  134   3HG1  VAL  19          3HG1      VAL  19   4.681  -3.443  -8.020
  135   1HG2  VAL  19          1HG2      VAL  19   8.177  -2.404  -6.628
  136   2HG2  VAL  19          2HG2      VAL  19   7.421  -2.434  -5.016
  137   3HG2  VAL  19          3HG2      VAL  19   7.469  -3.914  -6.005
  138    H    ASP  20           H        ASP  20   4.239   0.636  -5.850
  139    HA   ASP  20           HA       ASP  20   2.281   1.439  -6.317
  140   1HB   ASP  20          1HB       ASP  20   3.151   2.575  -8.219
  141   2HB   ASP  20          2HB       ASP  20   3.379   1.089  -9.120
  142    H    CYS  21           H        CYS  21   0.491   0.178  -5.787
  143    HA   CYS  21           HA       CYS  21   0.234  -2.436  -6.926
  144   1HB   CYS  21          1HB       CYS  21  -0.441  -1.318  -4.513
  145   2HB   CYS  21          2HB       CYS  21  -1.997  -1.397  -5.316
  146    H    GLY  22           H        GLY  22  -0.841   0.829  -7.552
  147   1HA   GLY  22          1HA       GLY  22  -2.179   0.086  -9.939
  148   2HA   GLY  22          2HA       GLY  22  -2.095   1.681  -9.219
  149    H    TYR  23           H        TYR  23  -3.734   2.395  -7.738
  150    HA   TYR  23           HA       TYR  23  -6.174   0.791  -7.930
  151   1HB   TYR  23          1HB       TYR  23  -4.618   1.852  -5.534
  152   2HB   TYR  23          2HB       TYR  23  -6.366   1.846  -5.417
  153    HD1  TYR  23           HD1      TYR  23  -7.551  -0.443  -5.949
  154    HD2  TYR  23           HD2      TYR  23  -3.413  -0.058  -4.931
  155    HE1  TYR  23           HE1      TYR  23  -7.488  -2.886  -5.249
  156    HE2  TYR  23           HE2      TYR  23  -3.365  -2.503  -4.234
  157    HH   TYR  23           HH       TYR  23  -5.214  -4.669  -5.138
  158    HA   PRO  24           HA       PRO  24  -7.876   4.674  -8.812
  159   1HB   PRO  24          1HB       PRO  24 -10.535   4.134  -8.483
  160   2HB   PRO  24          2HB       PRO  24  -9.645   3.718  -9.934
  161   1HG   PRO  24          1HG       PRO  24 -10.564   1.949  -7.751
  162   2HG   PRO  24          2HG       PRO  24 -10.065   1.520  -9.375
  163   1HD   PRO  24          1HD       PRO  24  -8.532   1.210  -6.971
  164   2HD   PRO  24          2HD       PRO  24  -7.991   0.890  -8.607
  165    H    HIS  25           H        HIS  25 -10.139   3.581  -6.357
  166    HA   HIS  25           HA       HIS  25  -9.748   6.114  -5.039
  167   1HB   HIS  25          1HB       HIS  25 -11.700   5.582  -3.792
  168   2HB   HIS  25          2HB       HIS  25 -12.005   5.142  -5.461
  169    HD1  HIS  25           HD1      HIS  25 -13.707   3.857  -3.267
  170    HD2  HIS  25           HD2      HIS  25 -10.153   2.166  -4.718
  171    HE1  HIS  25           HE1      HIS  25 -13.840   1.362  -2.752
  172    HE2  HIS  25           HE2      HIS  25 -11.654   0.368  -3.716
  173    H    VAL  26           H        VAL  26  -7.545   5.858  -4.305
  174    HA   VAL  26           HA       VAL  26  -7.108   3.707  -2.392
  175    HB   VAL  26           HB       VAL  26  -4.767   4.539  -2.464
  176   1HG1  VAL  26          1HG1      VAL  26  -6.071   3.800  -5.104
  177   2HG1  VAL  26          2HG1      VAL  26  -4.317   3.771  -4.802
  178   3HG1  VAL  26          3HG1      VAL  26  -5.396   2.692  -3.884
  179   1HG2  VAL  26          1HG2      VAL  26  -5.449   6.905  -3.119
  180   2HG2  VAL  26          2HG2      VAL  26  -4.053   6.216  -3.982
  181   3HG2  VAL  26          3HG2      VAL  26  -5.644   6.285  -4.777
  182    H    THR  27           H        THR  27  -6.803   4.036  -0.188
  183    HA   THR  27           HA       THR  27  -6.620   6.733   0.827
  184    HB   THR  27           HB       THR  27  -8.754   6.836   1.825
  185    HG1  THR  27           HG1      THR  27  -9.908   4.751   2.166
  186   1HG2  THR  27          1HG2      THR  27  -9.183   5.024  -0.609
  187   2HG2  THR  27          2HG2      THR  27 -10.483   5.883   0.252
  188   3HG2  THR  27          3HG2      THR  27  -9.226   6.804  -0.608
  189    HA   PRO  28           HA       PRO  28  -4.676   4.734   4.091
  190   1HB   PRO  28          1HB       PRO  28  -5.385   6.140   6.325
  191   2HB   PRO  28          2HB       PRO  28  -4.182   6.702   5.181
  192   1HG   PRO  28          1HG       PRO  28  -6.963   7.633   5.555
  193   2HG   PRO  28          2HG       PRO  28  -5.636   8.437   4.741
  194   1HD   PRO  28          1HD       PRO  28  -7.836   7.075   3.504
  195   2HD   PRO  28          2HD       PRO  28  -6.450   7.778   2.694
  196    H    LYS  29           H        LYS  29  -6.962   3.361   3.258
  197    HA   LYS  29           HA       LYS  29  -7.211   1.575   5.357
  198   1HB   LYS  29          1HB       LYS  29  -8.518   3.699   6.214
  199   2HB   LYS  29          2HB       LYS  29  -9.785   3.108   5.157
  200   1HG   LYS  29          1HG       LYS  29  -8.631   0.914   6.725
  201   2HG   LYS  29          2HG       LYS  29  -9.191   2.200   7.775
  202   1HD   LYS  29          1HD       LYS  29 -11.428   2.137   6.763
  203   2HD   LYS  29          2HD       LYS  29 -10.892   1.003   5.539
  204   1HE   LYS  29          1HE       LYS  29 -10.635  -0.776   7.130
  205   2HE   LYS  29          2HE       LYS  29 -10.659   0.323   8.495
  206   1HZ   LYS  29          1HZ       LYS  29 -13.004   0.835   7.382
  207   2HZ   LYS  29          2HZ       LYS  29 -12.852  -0.743   6.988
  208   3HZ   LYS  29          3HZ       LYS  29 -12.789  -0.283   8.553
  209    H    GLU  30           H        GLU  30  -8.969   3.181   2.635
  210    HA   GLU  30           HA       GLU  30 -10.204   0.784   1.843
  211   1HB   GLU  30          1HB       GLU  30 -11.167   2.970   1.288
  212   2HB   GLU  30          2HB       GLU  30  -9.741   3.414   0.373
  213   1HG   GLU  30          1HG       GLU  30 -10.601   2.435  -1.479
  214   2HG   GLU  30          2HG       GLU  30 -10.645   0.888  -0.658
  215    H    CYS  31           H        CYS  31  -7.241   2.573   0.835
  216    HA   CYS  31           HA       CYS  31  -6.667   0.904  -1.343
  217   1HB   CYS  31          1HB       CYS  31  -5.571   2.900  -1.490
  218   2HB   CYS  31          2HB       CYS  31  -5.213   2.973   0.224
  219    H    ASN  32           H        ASN  32  -6.137   0.760   2.173
  220    HA   ASN  32           HA       ASN  32  -4.323  -1.453   1.868
  221   1HB   ASN  32          1HB       ASN  32  -3.630  -0.888   3.983
  222   2HB   ASN  32          2HB       ASN  32  -4.592   0.562   3.779
  223   2HD2  ASN  32          2HD2      ASN  32  -4.081  -2.198   5.589
  224   1HD2  ASN  32          1HD2      ASN  32  -5.533  -2.230   6.532
  225    H    ASN  33           H        ASN  33  -7.584  -1.052   1.579
  226    HA   ASN  33           HA       ASN  33  -8.274  -3.356   3.201
  227   1HB   ASN  33          1HB       ASN  33  -9.766  -1.442   3.511
  228   2HB   ASN  33          2HB       ASN  33  -9.951  -1.229   1.781
  229   2HD2  ASN  33          2HD2      ASN  33 -12.212  -1.325   2.969
  230   1HD2  ASN  33          1HD2      ASN  33 -13.034  -2.844   2.845
  231    H    ARG  34           H        ARG  34  -8.263  -1.972  -0.128
  232    HA   ARG  34           HA       ARG  34  -9.666  -3.968  -1.379
  233   1HB   ARG  34          1HB       ARG  34  -8.526  -1.623  -2.176
  234   2HB   ARG  34          2HB       ARG  34  -7.339  -2.731  -2.835
  235   1HG   ARG  34          1HG       ARG  34 -10.345  -2.856  -3.371
  236   2HG   ARG  34          2HG       ARG  34  -9.151  -2.207  -4.477
  237   1HD   ARG  34          1HD       ARG  34  -8.022  -4.640  -4.072
  238   2HD   ARG  34          2HD       ARG  34  -9.685  -5.072  -3.724
  239    HE   ARG  34           HE       ARG  34  -9.592  -3.518  -6.144
  240   1HH1  ARG  34          1HH1      ARG  34  -8.797  -6.717  -4.912
  241   2HH1  ARG  34          2HH1      ARG  34  -8.984  -7.495  -6.448
  242   1HH2  ARG  34          1HH2      ARG  34  -9.839  -4.544  -8.171
  243   2HH2  ARG  34          2HH2      ARG  34  -9.581  -6.250  -8.315
  244    H    GLY  35           H        GLY  35  -6.300  -3.794  -0.244
  245   1HA   GLY  35          1HA       GLY  35  -5.768  -6.440  -1.456
  246   2HA   GLY  35          2HA       GLY  35  -5.420  -6.083   0.223
  247    H    CYS  36           H        CYS  36  -3.946  -4.114   0.644
  248    HA   CYS  36           HA       CYS  36  -1.523  -4.494  -0.500
  249   1HB   CYS  36          1HB       CYS  36  -3.162  -3.169  -2.375
  250   2HB   CYS  36          2HB       CYS  36  -2.074  -1.950  -1.741
  251    H    CYS  37           H        CYS  37  -0.585  -1.711  -0.528
  252    HA   CYS  37           HA       CYS  37  -1.301  -0.953   2.212
  253   1HB   CYS  37          1HB       CYS  37   1.340  -1.260   0.885
  254   2HB   CYS  37          2HB       CYS  37   1.152   0.115   1.954
  255    H    PHE  38           H        PHE  38  -1.231   1.418   2.617
  256    HA   PHE  38           HA       PHE  38  -1.584   2.928   0.123
  257   1HB   PHE  38          1HB       PHE  38  -3.691   2.634   1.398
  258   2HB   PHE  38          2HB       PHE  38  -2.891   3.047   2.901
  259    HD1  PHE  38           HD1      PHE  38  -4.091   4.417  -0.310
  260    HD2  PHE  38           HD2      PHE  38  -2.640   5.313   3.576
  261    HE1  PHE  38           HE1      PHE  38  -4.758   6.817  -0.615
  262    HE2  PHE  38           HE2      PHE  38  -3.307   7.713   3.271
  263    HZ   PHE  38           HZ       PHE  38  -4.358   8.437   1.179
  264    H    ASP  39           H        ASP  39  -1.377   5.439   0.645
  265    HA   ASP  39           HA       ASP  39   0.208   6.240   2.749
  266   1HB   ASP  39          1HB       ASP  39   2.020   4.942   1.742
  267   2HB   ASP  39          2HB       ASP  39   1.701   5.627   0.161
  268    H    SER  40           H        SER  40   0.500   8.585   2.628
  269    HA   SER  40           HA       SER  40  -0.286   9.794   0.115
  270   1HB   SER  40          1HB       SER  40  -1.859  11.318   1.236
  271   2HB   SER  40          2HB       SER  40  -2.348   9.653   1.478
  272    HG   SER  40           HG       SER  40  -1.219   9.764   3.596
  273    H    ARG  41           H        ARG  41   2.171   9.379   2.017
  274    HA   ARG  41           HA       ARG  41   2.769  11.812   3.163
  275   1HB   ARG  41          1HB       ARG  41   3.945   9.369   3.175
  276   2HB   ARG  41          2HB       ARG  41   4.989  10.136   1.995
  277   1HG   ARG  41          1HG       ARG  41   4.452  11.804   4.400
  278   2HG   ARG  41          2HG       ARG  41   5.305  10.312   4.743
  279   1HD   ARG  41          1HD       ARG  41   6.871  10.965   2.752
  280   2HD   ARG  41          2HD       ARG  41   6.154  12.559   2.872
  281    HE   ARG  41           HE       ARG  41   7.091  11.532   5.449
  282   1HH1  ARG  41          1HH1      ARG  41   8.029  13.251   2.525
  283   2HH1  ARG  41          2HH1      ARG  41   9.373  14.049   3.272
  284   1HH2  ARG  41          1HH2      ARG  41   8.865  12.584   6.435
  285   2HH2  ARG  41          2HH2      ARG  41   9.852  13.666   5.511
  286    H    ILE  42           H        ILE  42   3.136  10.550  -0.163
  287    HA   ILE  42           HA       ILE  42   3.597  13.220  -1.113
  288    HB   ILE  42           HB       ILE  42   5.627  11.983  -2.454
  289   1HG1  ILE  42          1HG1      ILE  42   7.099  11.011  -0.688
  290   2HG1  ILE  42          2HG1      ILE  42   5.745  11.038   0.424
  291   1HG2  ILE  42          1HG2      ILE  42   5.310  14.058  -0.424
  292   2HG2  ILE  42          2HG2      ILE  42   6.916  13.291  -0.386
  293   3HG2  ILE  42          3HG2      ILE  42   6.316  14.027  -1.892
  294   1HD1  ILE  42          1HD1      ILE  42   5.800   9.554  -2.245
  295   2HD1  ILE  42          2HD1      ILE  42   5.982   8.810  -0.638
  296   3HD1  ILE  42          3HD1      ILE  42   4.438   9.569  -1.098
  297    HA   PRO  43           HA       PRO  43   1.210  11.328  -4.199
  298   1HB   PRO  43          1HB       PRO  43   0.959  13.464  -5.885
  299   2HB   PRO  43          2HB       PRO  43  -0.057  13.230  -4.477
  300   1HG   PRO  43          1HG       PRO  43   2.182  15.123  -4.854
  301   2HG   PRO  43          2HG       PRO  43   0.906  15.158  -3.653
  302   1HD   PRO  43          1HD       PRO  43   3.625  14.340  -3.245
  303   2HD   PRO  43          2HD       PRO  43   2.321  14.265  -2.076
  304    H    GLY  44           H        GLY  44   4.098  13.100  -5.072
  305   1HA   GLY  44          1HA       GLY  44   5.800  12.411  -6.406
  306   2HA   GLY  44          2HA       GLY  44   4.540  12.432  -7.624
  307    H    VAL  45           H        VAL  45   4.625  10.190  -4.818
  308    HA   VAL  45           HA       VAL  45   5.402   8.030  -6.632
  309    HB   VAL  45           HB       VAL  45   6.233   6.918  -4.816
  310   1HG1  VAL  45          1HG1      VAL  45   6.438   9.859  -4.101
  311   2HG1  VAL  45          2HG1      VAL  45   7.389   8.576  -3.317
  312   3HG1  VAL  45          3HG1      VAL  45   7.582   8.888  -5.059
  313   1HG2  VAL  45          1HG2      VAL  45   4.334   8.501  -3.054
  314   2HG2  VAL  45          2HG2      VAL  45   4.215   6.780  -3.494
  315   3HG2  VAL  45          3HG2      VAL  45   5.546   7.343  -2.454
  316    HA   PRO  46           HA       PRO  46   1.479   6.224  -6.431
  317   1HB   PRO  46          1HB       PRO  46   1.938   3.544  -6.154
  318   2HB   PRO  46          2HB       PRO  46   2.108   4.393  -7.677
  319   1HG   PRO  46          1HG       PRO  46   4.220   3.407  -5.860
  320   2HG   PRO  46          2HG       PRO  46   4.349   3.862  -7.547
  321   1HD   PRO  46          1HD       PRO  46   5.197   5.406  -5.283
  322   2HD   PRO  46          2HD       PRO  46   5.219   5.908  -6.962
  323    H    TRP  47           H        TRP  47   0.629   7.302  -4.623
  324    HA   TRP  47           HA       TRP  47   0.971   6.917  -2.070
  325   1HB   TRP  47          1HB       TRP  47  -1.543   7.168  -3.656
  326   2HB   TRP  47          2HB       TRP  47  -1.678   6.840  -1.940
  327    HD1  TRP  47           HD1      TRP  47   1.189   9.111  -3.110
  328    HE1  TRP  47           HE1      TRP  47   0.832  11.603  -2.318
  329    HE3  TRP  47           HE3      TRP  47  -3.546   8.437  -1.383
  330    HZ2  TRP  47           HZ2      TRP  47  -1.342  12.981  -1.084
  331    HZ3  TRP  47           HZ3      TRP  47  -4.715  10.407  -0.399
  332    HH2  TRP  47           HH2      TRP  47  -3.688  12.619  -0.235
  333    H    CYS  48           H        CYS  48  -1.093   4.658  -4.047
  334    HA   CYS  48           HA       CYS  48  -0.942   2.728  -1.900
  335   1HB   CYS  48          1HB       CYS  48  -3.021   3.334  -3.345
  336   2HB   CYS  48          2HB       CYS  48  -2.302   2.272  -4.540
  337    H    PHE  49           H        PHE  49   0.747   1.289  -1.843
  338    HA   PHE  49           HA       PHE  49   1.767   0.318  -4.399
  339   1HB   PHE  49          1HB       PHE  49   4.097   0.550  -3.239
  340   2HB   PHE  49          2HB       PHE  49   3.358   2.045  -3.777
  341    HD1  PHE  49           HD1      PHE  49   3.654  -0.120  -0.760
  342    HD2  PHE  49           HD2      PHE  49   3.106   3.804  -2.280
  343    HE1  PHE  49           HE1      PHE  49   3.833   0.806   1.566
  344    HE2  PHE  49           HE2      PHE  49   3.285   4.730   0.046
  345    HZ   PHE  49           HZ       PHE  49   3.647   3.220   1.941
  346    H    LYS  50           H        LYS  50   3.240  -1.653  -4.044
  347    HA   LYS  50           HA       LYS  50   1.848  -3.475  -2.391
  348   1HB   LYS  50          1HB       LYS  50   4.521  -3.909  -3.742
  349   2HB   LYS  50          2HB       LYS  50   3.342  -5.119  -3.279
  350   1HG   LYS  50          1HG       LYS  50   1.689  -3.913  -4.867
  351   2HG   LYS  50          2HG       LYS  50   3.067  -3.010  -5.463
  352   1HD   LYS  50          1HD       LYS  50   3.065  -4.798  -6.963
  353   2HD   LYS  50          2HD       LYS  50   4.168  -5.413  -5.749
  354   1HE   LYS  50          1HE       LYS  50   2.577  -6.906  -4.851
  355   2HE   LYS  50          2HE       LYS  50   1.213  -5.961  -5.416
  356   1HZ   LYS  50          1HZ       LYS  50   2.987  -7.084  -7.413
  357   2HZ   LYS  50          2HZ       LYS  50   1.974  -8.105  -6.640
  358   3HZ   LYS  50          3HZ       LYS  50   1.374  -6.838  -7.478
  359    HA   PRO  51           HA       PRO  51   4.181  -3.311   1.236
  360   1HB   PRO  51          1HB       PRO  51   4.313  -5.911   2.067
  361   2HB   PRO  51          2HB       PRO  51   2.891  -4.909   2.277
  362   1HG   PRO  51          1HG       PRO  51   3.353  -7.089   0.334
  363   2HG   PRO  51          2HG       PRO  51   1.835  -6.377   0.844
  364   1HD   PRO  51          1HD       PRO  51   3.213  -5.896  -1.626
  365   2HD   PRO  51          2HD       PRO  51   1.757  -5.098  -1.065
  366    H    LEU  52           H        LEU  52   6.217  -2.737   1.636
  367    HA   LEU  52           HA       LEU  52   8.272  -3.180   0.038
  368   1HB   LEU  52          1HB       LEU  52   8.473  -1.742   1.902
  369   2HB   LEU  52          2HB       LEU  52   8.211  -3.045   3.044
  370    HG   LEU  52           HG       LEU  52  10.636  -2.845   1.239
  371   1HD1  LEU  52          1HD1      LEU  52   9.989  -1.352   3.615
  372   2HD1  LEU  52          2HD1      LEU  52  11.384  -2.414   3.920
  373   3HD1  LEU  52          3HD1      LEU  52  11.426  -1.256   2.569
  374   1HD2  LEU  52          1HD2      LEU  52   9.619  -4.902   3.021
  375   2HD2  LEU  52          2HD2      LEU  52  10.952  -4.961   1.844
  376   3HD2  LEU  52          3HD2      LEU  52  11.248  -4.361   3.493
  377    H    GLN  53           H        GLN  53   9.762  -4.758  -0.517
  378    HA   GLN  53           HA       GLN  53   8.937  -7.383  -0.206
  379   1HB   GLN  53          1HB       GLN  53  11.215  -5.939  -1.425
  380   2HB   GLN  53          2HB       GLN  53  11.628  -7.557  -0.893
  381   1HG   GLN  53          1HG       GLN  53  10.721  -8.271  -2.856
  382   2HG   GLN  53          2HG       GLN  53   9.163  -7.976  -2.109
  383   2HE2  GLN  53          2HE2      GLN  53   8.788  -5.392  -2.020
  384   1HE2  GLN  53          1HE2      GLN  53   8.846  -4.631  -3.575
  385    H    GLU  54           H        GLU  54   8.632  -7.581   2.149
  386    HA   GLU  54           HA       GLU  54  10.491  -7.139   4.040
  387   1HB   GLU  54          1HB       GLU  54   9.205  -8.526   5.448
  388   2HB   GLU  54          2HB       GLU  54   8.056  -8.029   4.221
  389   1HG   GLU  54          1HG       GLU  54   8.837 -10.222   2.960
  390   2HG   GLU  54          2HG       GLU  54   9.444 -10.708   4.530
  391    H    ALA  55           H        ALA  55  12.540  -7.861   4.422
  392    HA   ALA  55           HA       ALA  55  13.202 -10.610   4.029
  393   1HB   ALA  55          1HB       ALA  55  14.442 -10.519   2.118
  394   2HB   ALA  55          2HB       ALA  55  13.382  -9.138   1.742
  395   3HB   ALA  55          3HB       ALA  55  14.998  -8.858   2.434
  396    H    GLU  56           H        GLU  56  13.167  -9.517   6.405
  397    HA   GLU  56           HA       GLU  56  15.856  -8.484   6.846
  398   1HB   GLU  56          1HB       GLU  56  13.258  -8.129   8.380
  399   2HB   GLU  56          2HB       GLU  56  14.805  -7.787   9.128
  400   1HG   GLU  56          1HG       GLU  56  14.487  -5.695   8.238
  401   2HG   GLU  56          2HG       GLU  56  15.141  -6.424   6.785
  402    H    CYS  57           H        CYS  57  13.304 -10.508   8.480
  403    HA   CYS  57           HA       CYS  57  15.494 -12.067   9.631
  404   1HB   CYS  57          1HB       CYS  57  12.615 -11.774  10.510
  405   2HB   CYS  57          2HB       CYS  57  13.764 -12.884  11.231
  406    H    THR  58           H        THR  58  12.006 -12.757   8.886
  407    HA   THR  58           HA       THR  58  12.927 -14.983   7.188
  408    HB   THR  58           HB       THR  58  10.794 -16.126   8.121
  409    HG1  THR  58           HG1      THR  58   9.850 -15.002   9.849
  410   1HG2  THR  58          1HG2      THR  58  13.167 -15.409   9.901
  411   2HG2  THR  58          2HG2      THR  58  11.851 -16.456  10.483
  412   3HG2  THR  58          3HG2      THR  58  12.836 -16.957   9.088
  413    H    PHE  59           H        PHE  59  10.910 -15.813   5.833
  414    HA   PHE  59           HA       PHE  59  10.441 -14.079   3.867
  415   1HB   PHE  59          1HB       PHE  59   9.282 -16.524   4.991
  416   2HB   PHE  59          2HB       PHE  59   7.980 -15.534   4.365
  417    HD1  PHE  59           HD1      PHE  59   8.664 -14.441   1.944
  418    HD2  PHE  59           HD2      PHE  59  10.087 -18.108   3.538
  419    HE1  PHE  59           HE1      PHE  59   9.157 -15.259  -0.378
  420    HE2  PHE  59           HE2      PHE  59  10.580 -18.925   1.216
  421    HZ   PHE  59           HZ       PHE  59  10.110 -17.491  -0.713

  No H/Q in entry =         421
  Start of MODEL   26
    1    H    GLU   1           H        GLU   1   8.067 -15.928  19.901
    2    HA   GLU   1           HA       GLU   1   9.336 -14.978  17.632
    3   1HB   GLU   1          1HB       GLU   1   9.232 -17.396  19.144
    4   2HB   GLU   1          2HB       GLU   1   8.894 -17.846  17.484
    5   1HG   GLU   1          1HG       GLU   1  10.998 -16.016  17.214
    6   2HG   GLU   1          2HG       GLU   1  11.412 -16.869  18.689
    7    H    GLU   2           H        GLU   2   7.248 -13.838  16.799
    8    HA   GLU   2           HA       GLU   2   6.488 -15.060  14.474
    9   1HB   GLU   2          1HB       GLU   2   5.050 -16.168  16.638
   10   2HB   GLU   2          2HB       GLU   2   3.930 -15.038  15.903
   11   1HG   GLU   2          1HG       GLU   2   5.024 -16.256  13.664
   12   2HG   GLU   2          2HG       GLU   2   5.042 -17.575  14.817
   13    H    TYR   3           H        TYR   3   7.201 -12.800  14.085
   14    HA   TYR   3           HA       TYR   3   4.964 -10.935  14.501
   15   1HB   TYR   3          1HB       TYR   3   7.484 -10.867  15.690
   16   2HB   TYR   3          2HB       TYR   3   7.820  -9.991  14.209
   17    HD1  TYR   3           HD1      TYR   3   4.655  -9.937  16.189
   18    HD2  TYR   3           HD2      TYR   3   8.159  -7.793  14.994
   19    HE1  TYR   3           HE1      TYR   3   3.718  -7.814  17.227
   20    HE2  TYR   3           HE2      TYR   3   7.211  -5.677  16.036
   21    HH   TYR   3           HH       TYR   3   4.162  -5.761  17.829
   22    H    VAL   4           H        VAL   4   4.663  -9.336  12.820
   23    HA   VAL   4           HA       VAL   4   6.277  -9.142  10.570
   24    HB   VAL   4           HB       VAL   4   5.302 -11.573  10.469
   25   1HG1  VAL   4          1HG1      VAL   4   2.923 -10.571  10.744
   26   2HG1  VAL   4          2HG1      VAL   4   3.063 -10.170   9.015
   27   3HG1  VAL   4          3HG1      VAL   4   3.176 -11.865   9.548
   28   1HG2  VAL   4          1HG2      VAL   4   6.670 -10.353   8.739
   29   2HG2  VAL   4          2HG2      VAL   4   5.524 -11.547   8.083
   30   3HG2  VAL   4          3HG2      VAL   4   5.141  -9.810   8.006
   31    H    GLY   5           H        GLY   5   5.731  -7.233   9.609
   32   1HA   GLY   5          1HA       GLY   5   3.245  -6.316   8.949
   33   2HA   GLY   5          2HA       GLY   5   4.622  -5.295   9.312
   34    H    LEU   6           H        LEU   6   4.735  -4.164  11.276
   35    HA   LEU   6           HA       LEU   6   2.587  -4.729  13.188
   36   1HB   LEU   6          1HB       LEU   6   4.653  -2.893  14.075
   37   2HB   LEU   6          2HB       LEU   6   4.020  -4.341  14.833
   38    HG   LEU   6           HG       LEU   6   6.314  -4.740  14.525
   39   1HD1  LEU   6          1HD1      LEU   6   4.472  -6.411  13.440
   40   2HD1  LEU   6          2HD1      LEU   6   5.552  -6.156  12.048
   41   3HD1  LEU   6          3HD1      LEU   6   6.208  -6.778  13.581
   42   1HD2  LEU   6          1HD2      LEU   6   6.042  -3.001  12.281
   43   2HD2  LEU   6          2HD2      LEU   6   7.525  -3.599  13.063
   44   3HD2  LEU   6          3HD2      LEU   6   6.791  -4.518  11.728
   45    H    SER   7           H        SER   7   4.497  -1.743  12.468
   46    HA   SER   7           HA       SER   7   2.001  -0.310  12.500
   47   1HB   SER   7          1HB       SER   7   3.762   1.670  12.200
   48   2HB   SER   7          2HB       SER   7   3.516   0.906  13.758
   49    HG   SER   7           HG       SER   7   5.538   0.217  13.723
   50    H    ALA   8           H        ALA   8   4.992   0.203  10.506
   51    HA   ALA   8           HA       ALA   8   3.303   0.045   8.113
   52   1HB   ALA   8          1HB       ALA   8   4.245   2.069   7.250
   53   2HB   ALA   8          2HB       ALA   8   5.447   2.150   8.560
   54   3HB   ALA   8          3HB       ALA   8   3.726   2.432   8.913
   55    H    ASN   9           H        ASN   9   5.595  -1.465   9.803
   56    HA   ASN   9           HA       ASN   9   7.888  -1.576   8.466
   57   1HB   ASN   9          1HB       ASN   9   7.418  -2.987  10.435
   58   2HB   ASN   9          2HB       ASN   9   6.228  -3.914   9.542
   59   2HD2  ASN   9          2HD2      ASN   9   6.934  -5.851   9.118
   60   1HD2  ASN   9          1HD2      ASN   9   8.522  -6.305   8.593
   61    H    GLN  10           H        GLN  10   4.682  -2.618   7.387
   62    HA   GLN  10           HA       GLN  10   5.796  -4.113   5.187
   63   1HB   GLN  10          1HB       GLN  10   3.587  -4.568   6.680
   64   2HB   GLN  10          2HB       GLN  10   2.847  -3.600   5.421
   65   1HG   GLN  10          1HG       GLN  10   2.727  -5.535   4.223
   66   2HG   GLN  10          2HG       GLN  10   4.441  -5.320   3.934
   67   2HE2  GLN  10          2HE2      GLN  10   5.697  -5.890   6.166
   68   1HE2  GLN  10          1HE2      GLN  10   5.400  -7.502   6.726
   69    H    CYS  11           H        CYS  11   4.176  -1.022   5.934
   70    HA   CYS  11           HA       CYS  11   4.398  -0.340   3.092
   71   1HB   CYS  11          1HB       CYS  11   2.659   1.271   4.888
   72   2HB   CYS  11          2HB       CYS  11   2.493   0.908   3.181
   73    H    ALA  12           H        ALA  12   6.718  -0.275   4.624
   74    HA   ALA  12           HA       ALA  12   6.991   2.581   5.274
   75   1HB   ALA  12          1HB       ALA  12   9.043   1.559   6.603
   76   2HB   ALA  12          2HB       ALA  12   7.406   1.528   7.302
   77   3HB   ALA  12          3HB       ALA  12   8.073   0.069   6.530
   78    H    VAL  13           H        VAL  13   7.095   2.185   2.650
   79    HA   VAL  13           HA       VAL  13   9.825   1.500   1.915
   80    HB   VAL  13           HB       VAL  13   7.939   2.459  -0.131
   81   1HG1  VAL  13          1HG1      VAL  13  10.137   0.558   0.179
   82   2HG1  VAL  13          2HG1      VAL  13   8.774  -0.120  -0.743
   83   3HG1  VAL  13          3HG1      VAL  13   9.543   1.394  -1.275
   84   1HG2  VAL  13          1HG2      VAL  13   7.277   0.101   1.635
   85   2HG2  VAL  13          2HG2      VAL  13   6.221   1.425   1.086
   86   3HG2  VAL  13          3HG2      VAL  13   6.746   0.170  -0.062
   87    HA   PRO  14           HA       PRO  14  11.041   5.636   1.628
   88   1HB   PRO  14          1HB       PRO  14  13.058   5.493  -0.211
   89   2HB   PRO  14          2HB       PRO  14  13.263   5.052   1.472
   90   1HG   PRO  14          1HG       PRO  14  13.026   3.290  -0.890
   91   2HG   PRO  14          2HG       PRO  14  13.645   2.910   0.705
   92   1HD   PRO  14          1HD       PRO  14  11.079   2.190  -0.356
   93   2HD   PRO  14          2HD       PRO  14  11.654   1.912   1.276
   94    H    ALA  15           H        ALA  15   9.221   4.224  -0.625
   95    HA   ALA  15           HA       ALA  15   7.798   5.226  -2.046
   96   1HB   ALA  15          1HB       ALA  15   8.823   7.448  -0.755
   97   2HB   ALA  15          2HB       ALA  15   7.550   7.476  -1.998
   98   3HB   ALA  15          3HB       ALA  15   9.246   7.763  -2.455
   99    H    LYS  16           H        LYS  16  11.315   5.293  -2.340
  100    HA   LYS  16           HA       LYS  16  11.172   5.406  -5.231
  101   1HB   LYS  16          1HB       LYS  16  13.598   5.457  -5.135
  102   2HB   LYS  16          2HB       LYS  16  12.920   6.659  -4.055
  103   1HG   LYS  16          1HG       LYS  16  14.445   5.716  -2.592
  104   2HG   LYS  16          2HG       LYS  16  13.094   4.647  -2.273
  105   1HD   LYS  16          1HD       LYS  16  14.490   2.936  -2.822
  106   2HD   LYS  16          2HD       LYS  16  14.289   3.442  -4.487
  107   1HE   LYS  16          1HE       LYS  16  16.533   3.811  -4.529
  108   2HE   LYS  16          2HE       LYS  16  16.234   5.218  -3.528
  109   1HZ   LYS  16          1HZ       LYS  16  16.695   2.514  -2.475
  110   2HZ   LYS  16          2HZ       LYS  16  17.836   3.678  -2.569
  111   3HZ   LYS  16          3HZ       LYS  16  16.542   3.880  -1.593
  112    H    ASP  17           H        ASP  17  10.358   3.120  -3.054
  113    HA   ASP  17           HA       ASP  17  11.447   1.023  -4.759
  114   1HB   ASP  17          1HB       ASP  17  11.819   1.399  -1.945
  115   2HB   ASP  17          2HB       ASP  17  10.713   0.050  -2.112
  116    H    ARG  18           H        ARG  18   8.839   2.700  -4.592
  117    HA   ARG  18           HA       ARG  18   6.894   0.906  -3.613
  118   1HB   ARG  18          1HB       ARG  18   6.392   3.213  -5.543
  119   2HB   ARG  18          2HB       ARG  18   5.284   2.556  -4.356
  120   1HG   ARG  18          1HG       ARG  18   7.923   3.679  -3.399
  121   2HG   ARG  18          2HG       ARG  18   6.657   4.798  -3.865
  122   1HD   ARG  18          1HD       ARG  18   5.305   2.908  -2.274
  123   2HD   ARG  18          2HD       ARG  18   6.849   3.092  -1.466
  124    HE   ARG  18           HE       ARG  18   5.448   5.589  -2.254
  125   1HH1  ARG  18          1HH1      ARG  18   6.317   3.326   0.296
  126   2HH1  ARG  18          2HH1      ARG  18   5.962   4.435   1.578
  127   1HH2  ARG  18          1HH2      ARG  18   4.980   7.054  -0.564
  128   2HH2  ARG  18          2HH2      ARG  18   5.196   6.571   1.085
  129    H    VAL  19           H        VAL  19   5.612  -0.584  -4.771
  130    HA   VAL  19           HA       VAL  19   6.519  -1.107  -7.491
  131    HB   VAL  19           HB       VAL  19   4.962  -2.697  -5.450
  132   1HG1  VAL  19          1HG1      VAL  19   5.583  -3.357  -8.343
  133   2HG1  VAL  19          2HG1      VAL  19   5.143  -4.581  -7.128
  134   3HG1  VAL  19          3HG1      VAL  19   3.991  -3.291  -7.549
  135   1HG2  VAL  19          1HG2      VAL  19   7.768  -2.791  -6.546
  136   2HG2  VAL  19          2HG2      VAL  19   7.213  -2.812  -4.855
  137   3HG2  VAL  19          3HG2      VAL  19   7.004  -4.253  -5.879
  138    H    ASP  20           H        ASP  20   4.272   0.833  -6.022
  139    HA   ASP  20           HA       ASP  20   2.322   1.650  -6.543
  140   1HB   ASP  20          1HB       ASP  20   3.406   2.631  -8.425
  141   2HB   ASP  20          2HB       ASP  20   3.548   1.097  -9.260
  142    H    CYS  21           H        CYS  21   0.732   0.183  -5.756
  143    HA   CYS  21           HA       CYS  21   0.231  -2.292  -6.994
  144   1HB   CYS  21          1HB       CYS  21  -0.357  -1.195  -4.579
  145   2HB   CYS  21          2HB       CYS  21  -1.918  -1.080  -5.366
  146    H    GLY  22           H        GLY  22  -0.787   1.041  -7.521
  147   1HA   GLY  22          1HA       GLY  22  -2.055   0.423  -9.975
  148   2HA   GLY  22          2HA       GLY  22  -2.020   1.973  -9.158
  149    H    TYR  23           H        TYR  23  -3.724   2.588  -7.722
  150    HA   TYR  23           HA       TYR  23  -6.120   0.938  -8.055
  151   1HB   TYR  23          1HB       TYR  23  -4.630   1.887  -5.583
  152   2HB   TYR  23          2HB       TYR  23  -6.380   1.946  -5.504
  153    HD1  TYR  23           HD1      TYR  23  -7.598  -0.308  -6.273
  154    HD2  TYR  23           HD2      TYR  23  -3.557  -0.054  -4.890
  155    HE1  TYR  23           HE1      TYR  23  -7.646  -2.775  -5.657
  156    HE2  TYR  23           HE2      TYR  23  -3.619  -2.522  -4.279
  157    HH   TYR  23           HH       TYR  23  -5.941  -4.600  -5.410
  158    HA   PRO  24           HA       PRO  24  -7.923   4.799  -8.811
  159   1HB   PRO  24          1HB       PRO  24 -10.568   4.218  -8.445
  160   2HB   PRO  24          2HB       PRO  24  -9.697   3.833  -9.916
  161   1HG   PRO  24          1HG       PRO  24 -10.554   2.022  -7.742
  162   2HG   PRO  24          2HG       PRO  24 -10.077   1.622  -9.380
  163   1HD   PRO  24          1HD       PRO  24  -8.499   1.303  -7.006
  164   2HD   PRO  24          2HD       PRO  24  -7.982   1.012  -8.655
  165    H    HIS  25           H        HIS  25 -10.105   3.622  -6.317
  166    HA   HIS  25           HA       HIS  25  -9.717   6.148  -4.970
  167   1HB   HIS  25          1HB       HIS  25 -11.643   5.549  -3.672
  168   2HB   HIS  25          2HB       HIS  25 -11.982   5.249  -5.365
  169    HD1  HIS  25           HD1      HIS  25 -13.751   3.797  -3.432
  170    HD2  HIS  25           HD2      HIS  25 -10.084   2.215  -4.716
  171    HE1  HIS  25           HE1      HIS  25 -13.894   1.276  -3.069
  172    HE2  HIS  25           HE2      HIS  25 -11.634   0.353  -3.926
  173    H    VAL  26           H        VAL  26  -7.522   5.897  -4.239
  174    HA   VAL  26           HA       VAL  26  -7.068   3.702  -2.376
  175    HB   VAL  26           HB       VAL  26  -4.726   4.510  -2.461
  176   1HG1  VAL  26          1HG1      VAL  26  -6.057   3.870  -5.113
  177   2HG1  VAL  26          2HG1      VAL  26  -4.303   3.803  -4.819
  178   3HG1  VAL  26          3HG1      VAL  26  -5.396   2.714  -3.931
  179   1HG2  VAL  26          1HG2      VAL  26  -5.623   6.903  -3.190
  180   2HG2  VAL  26          2HG2      VAL  26  -4.011   6.322  -3.674
  181   3HG2  VAL  26          3HG2      VAL  26  -5.370   6.235  -4.820
  182    H    THR  27           H        THR  27  -6.890   3.978  -0.174
  183    HA   THR  27           HA       THR  27  -6.639   6.666   0.885
  184    HB   THR  27           HB       THR  27  -8.770   6.759   1.883
  185    HG1  THR  27           HG1      THR  27  -9.855   4.747   2.387
  186   1HG2  THR  27          1HG2      THR  27  -9.178   4.985  -0.581
  187   2HG2  THR  27          2HG2      THR  27 -10.502   5.774   0.309
  188   3HG2  THR  27          3HG2      THR  27  -9.281   6.761  -0.528
  189    HA   PRO  28           HA       PRO  28  -4.696   4.618   4.121
  190   1HB   PRO  28          1HB       PRO  28  -5.427   5.964   6.384
  191   2HB   PRO  28          2HB       PRO  28  -4.227   6.565   5.258
  192   1HG   PRO  28          1HG       PRO  28  -7.018   7.458   5.642
  193   2HG   PRO  28          2HG       PRO  28  -5.697   8.295   4.852
  194   1HD   PRO  28          1HD       PRO  28  -7.878   6.939   3.575
  195   2HD   PRO  28          2HD       PRO  28  -6.496   7.675   2.787
  196    H    LYS  29           H        LYS  29  -6.980   3.255   3.247
  197    HA   LYS  29           HA       LYS  29  -7.213   1.408   5.297
  198   1HB   LYS  29          1HB       LYS  29  -8.532   3.497   6.214
  199   2HB   LYS  29          2HB       LYS  29  -9.796   2.931   5.140
  200   1HG   LYS  29          1HG       LYS  29  -8.443   0.928   6.956
  201   2HG   LYS  29          2HG       LYS  29  -9.616   2.028   7.651
  202   1HD   LYS  29          1HD       LYS  29 -11.366   1.252   6.151
  203   2HD   LYS  29          2HD       LYS  29 -10.220   0.358   5.173
  204   1HE   LYS  29          1HE       LYS  29 -10.788  -1.442   6.457
  205   2HE   LYS  29          2HE       LYS  29  -9.755  -0.731   7.681
  206   1HZ   LYS  29          1HZ       LYS  29 -12.166   0.560   7.865
  207   2HZ   LYS  29          2HZ       LYS  29 -12.536  -1.022   7.705
  208   3HZ   LYS  29          3HZ       LYS  29 -11.551  -0.532   8.911
  209    H    GLU  30           H        GLU  30  -8.991   3.074   2.623
  210    HA   GLU  30           HA       GLU  30 -10.220   0.703   1.768
  211   1HB   GLU  30          1HB       GLU  30 -11.201   2.864   1.233
  212   2HB   GLU  30          2HB       GLU  30  -9.748   3.385   0.404
  213   1HG   GLU  30          1HG       GLU  30 -10.370   2.360  -1.529
  214   2HG   GLU  30          2HG       GLU  30 -10.704   0.850  -0.706
  215    H    CYS  31           H        CYS  31  -7.228   2.480   0.838
  216    HA   CYS  31           HA       CYS  31  -6.655   0.858  -1.381
  217   1HB   CYS  31          1HB       CYS  31  -5.525   2.828  -1.497
  218   2HB   CYS  31          2HB       CYS  31  -5.221   2.901   0.228
  219    H    ASN  32           H        ASN  32  -6.087   0.669   2.139
  220    HA   ASN  32           HA       ASN  32  -4.304  -1.554   1.802
  221   1HB   ASN  32          1HB       ASN  32  -3.579  -0.858   3.852
  222   2HB   ASN  32          2HB       ASN  32  -4.797   0.403   3.831
  223   2HD2  ASN  32          2HD2      ASN  32  -7.067  -0.368   4.352
  224   1HD2  ASN  32          1HD2      ASN  32  -7.251  -1.440   5.701
  225    H    ASN  33           H        ASN  33  -7.607  -1.069   1.618
  226    HA   ASN  33           HA       ASN  33  -8.306  -3.426   3.139
  227   1HB   ASN  33          1HB       ASN  33  -9.802  -1.518   3.443
  228   2HB   ASN  33          2HB       ASN  33  -9.949  -1.277   1.713
  229   2HD2  ASN  33          2HD2      ASN  33 -11.531  -2.334   4.317
  230   1HD2  ASN  33          1HD2      ASN  33 -12.601  -3.517   3.642
  231    H    ARG  34           H        ARG  34  -8.262  -2.009  -0.180
  232    HA   ARG  34           HA       ARG  34  -9.633  -4.012  -1.459
  233   1HB   ARG  34          1HB       ARG  34  -8.555  -1.643  -2.234
  234   2HB   ARG  34          2HB       ARG  34  -7.312  -2.702  -2.870
  235   1HG   ARG  34          1HG       ARG  34 -10.297  -2.983  -3.465
  236   2HG   ARG  34          2HG       ARG  34  -9.141  -2.209  -4.532
  237   1HD   ARG  34          1HD       ARG  34  -7.810  -4.475  -4.378
  238   2HD   ARG  34          2HD       ARG  34  -9.304  -5.144  -3.754
  239    HE   ARG  34           HE       ARG  34  -8.776  -4.356  -6.508
  240   1HH1  ARG  34          1HH1      ARG  34 -11.320  -4.731  -4.106
  241   2HH1  ARG  34          2HH1      ARG  34 -12.574  -4.947  -5.281
  242   1HH2  ARG  34          1HH2      ARG  34 -10.430  -4.641  -8.059
  243   2HH2  ARG  34          2HH2      ARG  34 -12.064  -4.895  -7.545
  244    H    GLY  35           H        GLY  35  -6.287  -3.805  -0.284
  245   1HA   GLY  35          1HA       GLY  35  -5.713  -6.438  -1.508
  246   2HA   GLY  35          2HA       GLY  35  -5.352  -6.062   0.165
  247    H    CYS  36           H        CYS  36  -3.873  -4.121   0.578
  248    HA   CYS  36           HA       CYS  36  -1.477  -4.460  -0.639
  249   1HB   CYS  36          1HB       CYS  36  -3.163  -3.119  -2.444
  250   2HB   CYS  36          2HB       CYS  36  -2.106  -1.883  -1.792
  251    H    CYS  37           H        CYS  37  -0.584  -1.648  -0.627
  252    HA   CYS  37           HA       CYS  37  -1.232  -0.968   2.150
  253   1HB   CYS  37          1HB       CYS  37   1.392  -1.235   0.772
  254   2HB   CYS  37          2HB       CYS  37   1.216   0.092   1.903
  255    H    PHE  38           H        PHE  38  -1.272   1.362   2.603
  256    HA   PHE  38           HA       PHE  38  -1.600   2.942   0.149
  257   1HB   PHE  38          1HB       PHE  38  -3.699   2.606   1.428
  258   2HB   PHE  38          2HB       PHE  38  -2.893   2.988   2.936
  259    HD1  PHE  38           HD1      PHE  38  -4.154   4.416  -0.220
  260    HD2  PHE  38           HD2      PHE  38  -2.615   5.248   3.646
  261    HE1  PHE  38           HE1      PHE  38  -4.836   6.819  -0.465
  262    HE2  PHE  38           HE2      PHE  38  -3.296   7.651   3.401
  263    HZ   PHE  38           HZ       PHE  38  -4.398   8.408   1.348
  264    H    ASP  39           H        ASP  39  -1.399   5.440   0.726
  265    HA   ASP  39           HA       ASP  39   0.184   6.204   2.842
  266   1HB   ASP  39          1HB       ASP  39   1.985   4.906   1.780
  267   2HB   ASP  39          2HB       ASP  39   1.690   5.684   0.238
  268    H    SER  40           H        SER  40   0.420   8.546   2.785
  269    HA   SER  40           HA       SER  40  -0.434   9.783   0.295
  270   1HB   SER  40          1HB       SER  40  -1.915  11.310   1.487
  271   2HB   SER  40          2HB       SER  40  -2.374   9.662   1.866
  272    HG   SER  40           HG       SER  40  -2.042  11.429   3.662
  273    H    ARG  41           H        ARG  41   2.143   9.309   2.032
  274    HA   ARG  41           HA       ARG  41   2.910  11.670   3.164
  275   1HB   ARG  41          1HB       ARG  41   4.056   9.218   2.874
  276   2HB   ARG  41          2HB       ARG  41   4.981  10.080   1.661
  277   1HG   ARG  41          1HG       ARG  41   4.904  11.815   3.915
  278   2HG   ARG  41          2HG       ARG  41   5.188  10.216   4.574
  279   1HD   ARG  41          1HD       ARG  41   7.222   9.938   3.402
  280   2HD   ARG  41          2HD       ARG  41   6.784  11.087   2.154
  281    HE   ARG  41           HE       ARG  41   6.910  12.470   4.661
  282   1HH1  ARG  41          1HH1      ARG  41   9.027  10.925   2.312
  283   2HH1  ARG  41          2HH1      ARG  41  10.394  11.916   2.702
  284   1HH2  ARG  41          1HH2      ARG  41   8.712  13.778   5.175
  285   2HH2  ARG  41          2HH2      ARG  41  10.213  13.550   4.341
  286    H    ILE  42           H        ILE  42   3.463  10.441  -0.214
  287    HA   ILE  42           HA       ILE  42   3.572  13.204  -1.112
  288    HB   ILE  42           HB       ILE  42   5.589  12.113  -2.588
  289   1HG1  ILE  42          1HG1      ILE  42   7.184  11.117  -0.976
  290   2HG1  ILE  42          2HG1      ILE  42   5.930  11.095   0.248
  291   1HG2  ILE  42          1HG2      ILE  42   5.270  14.102  -0.483
  292   2HG2  ILE  42          2HG2      ILE  42   6.905  13.399  -0.512
  293   3HG2  ILE  42          3HG2      ILE  42   6.234  14.155  -1.978
  294   1HD1  ILE  42          1HD1      ILE  42   5.102   9.870  -2.327
  295   2HD1  ILE  42          2HD1      ILE  42   6.441   9.029  -1.509
  296   3HD1  ILE  42          3HD1      ILE  42   4.893   9.272  -0.663
  297    HA   PRO  43           HA       PRO  43   1.146  11.327  -4.170
  298   1HB   PRO  43          1HB       PRO  43   0.814  13.477  -5.824
  299   2HB   PRO  43          2HB       PRO  43  -0.154  13.215  -4.387
  300   1HG   PRO  43          1HG       PRO  43   2.047  15.141  -4.813
  301   2HG   PRO  43          2HG       PRO  43   0.809  15.146  -3.573
  302   1HD   PRO  43          1HD       PRO  43   3.550  14.360  -3.259
  303   2HD   PRO  43          2HD       PRO  43   2.285  14.256  -2.051
  304    H    GLY  44           H        GLY  44   3.980  13.148  -5.115
  305   1HA   GLY  44          1HA       GLY  44   5.635  12.536  -6.533
  306   2HA   GLY  44          2HA       GLY  44   4.326  12.471  -7.697
  307    H    VAL  45           H        VAL  45   4.429  10.274  -4.890
  308    HA   VAL  45           HA       VAL  45   5.327   8.122  -6.666
  309    HB   VAL  45           HB       VAL  45   6.308   7.138  -4.886
  310   1HG1  VAL  45          1HG1      VAL  45   6.139  10.035  -3.998
  311   2HG1  VAL  45          2HG1      VAL  45   7.259   8.834  -3.311
  312   3HG1  VAL  45          3HG1      VAL  45   7.387   9.291  -5.027
  313   1HG2  VAL  45          1HG2      VAL  45   4.110   8.331  -3.181
  314   2HG2  VAL  45          2HG2      VAL  45   4.415   6.619  -3.561
  315   3HG2  VAL  45          3HG2      VAL  45   5.523   7.502  -2.484
  316    HA   PRO  46           HA       PRO  46   1.488   6.154  -6.360
  317   1HB   PRO  46          1HB       PRO  46   2.048   3.509  -5.963
  318   2HB   PRO  46          2HB       PRO  46   2.185   4.294  -7.524
  319   1HG   PRO  46          1HG       PRO  46   4.334   3.471  -5.669
  320   2HG   PRO  46          2HG       PRO  46   4.444   3.855  -7.375
  321   1HD   PRO  46          1HD       PRO  46   5.235   5.530  -5.185
  322   2HD   PRO  46          2HD       PRO  46   5.237   5.957  -6.885
  323    H    TRP  47           H        TRP  47   0.553   7.249  -4.620
  324    HA   TRP  47           HA       TRP  47   0.950   6.952  -2.032
  325   1HB   TRP  47          1HB       TRP  47  -1.538   7.236  -3.640
  326   2HB   TRP  47          2HB       TRP  47  -1.718   6.883  -1.933
  327    HD1  TRP  47           HD1      TRP  47   1.184   9.149  -3.056
  328    HE1  TRP  47           HE1      TRP  47   0.850  11.626  -2.211
  329    HE3  TRP  47           HE3      TRP  47  -3.546   8.475  -1.316
  330    HZ2  TRP  47           HZ2      TRP  47  -1.307  12.996  -0.939
  331    HZ3  TRP  47           HZ3      TRP  47  -4.695  10.433  -0.287
  332    HH2  TRP  47           HH2      TRP  47  -3.652  12.634  -0.085
  333    H    CYS  48           H        CYS  48  -1.028   4.641  -4.028
  334    HA   CYS  48           HA       CYS  48  -0.937   2.764  -1.819
  335   1HB   CYS  48          1HB       CYS  48  -3.032   3.332  -3.200
  336   2HB   CYS  48          2HB       CYS  48  -2.321   2.345  -4.461
  337    H    PHE  49           H        PHE  49   0.902   1.513  -1.731
  338    HA   PHE  49           HA       PHE  49   1.880   0.452  -4.283
  339   1HB   PHE  49          1HB       PHE  49   4.186   0.655  -3.063
  340   2HB   PHE  49          2HB       PHE  49   3.473   2.156  -3.619
  341    HD1  PHE  49           HD1      PHE  49   3.622  -0.017  -0.592
  342    HD2  PHE  49           HD2      PHE  49   3.250   3.920  -2.133
  343    HE1  PHE  49           HE1      PHE  49   3.749   0.907   1.738
  344    HE2  PHE  49           HE2      PHE  49   3.377   4.844   0.198
  345    HZ   PHE  49           HZ       PHE  49   3.625   3.326   2.105
  346    H    LYS  50           H        LYS  50   3.199  -1.578  -4.005
  347    HA   LYS  50           HA       LYS  50   1.807  -3.388  -2.376
  348   1HB   LYS  50          1HB       LYS  50   4.489  -3.768  -3.739
  349   2HB   LYS  50          2HB       LYS  50   3.391  -5.026  -3.208
  350   1HG   LYS  50          1HG       LYS  50   1.625  -3.872  -4.758
  351   2HG   LYS  50          2HG       LYS  50   2.987  -3.020  -5.458
  352   1HD   LYS  50          1HD       LYS  50   2.883  -4.894  -6.854
  353   2HD   LYS  50          2HD       LYS  50   4.060  -5.433  -5.672
  354   1HE   LYS  50          1HE       LYS  50   2.503  -6.838  -4.559
  355   2HE   LYS  50          2HE       LYS  50   1.116  -5.968  -5.185
  356   1HZ   LYS  50          1HZ       LYS  50   1.885  -6.775  -7.423
  357   2HZ   LYS  50          2HZ       LYS  50   2.873  -7.806  -6.631
  358   3HZ   LYS  50          3HZ       LYS  50   1.256  -7.904  -6.424
  359    HA   PRO  51           HA       PRO  51   4.053  -3.312   1.309
  360   1HB   PRO  51          1HB       PRO  51   4.152  -5.928   2.093
  361   2HB   PRO  51          2HB       PRO  51   2.729  -4.923   2.286
  362   1HG   PRO  51          1HG       PRO  51   3.229  -7.068   0.314
  363   2HG   PRO  51          2HG       PRO  51   1.703  -6.358   0.800
  364   1HD   PRO  51          1HD       PRO  51   3.144  -5.837  -1.625
  365   2HD   PRO  51          2HD       PRO  51   1.678  -5.043  -1.086
  366    H    LEU  52           H        LEU  52   6.078  -2.677   1.645
  367    HA   LEU  52           HA       LEU  52   8.156  -3.201   0.095
  368   1HB   LEU  52          1HB       LEU  52   8.335  -1.651   1.865
  369   2HB   LEU  52          2HB       LEU  52   8.048  -2.876   3.085
  370    HG   LEU  52           HG       LEU  52  10.512  -2.753   1.324
  371   1HD1  LEU  52          1HD1      LEU  52  10.088  -1.806   4.170
  372   2HD1  LEU  52          2HD1      LEU  52  11.675  -1.991   3.387
  373   3HD1  LEU  52          3HD1      LEU  52  10.499  -0.817   2.749
  374   1HD2  LEU  52          1HD2      LEU  52   9.480  -4.728   3.239
  375   2HD2  LEU  52          2HD2      LEU  52  10.698  -4.893   1.951
  376   3HD2  LEU  52          3HD2      LEU  52  11.164  -4.230   3.536
  377    H    GLN  53           H        GLN  53   9.351  -4.904  -0.588
  378    HA   GLN  53           HA       GLN  53   8.618  -7.468   0.127
  379   1HB   GLN  53          1HB       GLN  53  10.902  -8.028  -1.039
  380   2HB   GLN  53          2HB       GLN  53   9.619  -7.295  -1.982
  381   1HG   GLN  53          1HG       GLN  53  11.393  -5.342  -0.596
  382   2HG   GLN  53          2HG       GLN  53  12.200  -6.316  -1.809
  383   2HE2  GLN  53          2HE2      GLN  53  10.525  -3.545  -1.267
  384   1HE2  GLN  53          1HE2      GLN  53   9.939  -3.185  -2.857
  385    H    GLU  54           H        GLU  54   8.668  -7.458   2.499
  386    HA   GLU  54           HA       GLU  54  11.012  -6.930   3.896
  387   1HB   GLU  54          1HB       GLU  54   9.864  -7.932   5.807
  388   2HB   GLU  54          2HB       GLU  54   8.729  -6.954   4.898
  389   1HG   GLU  54          1HG       GLU  54   8.619  -9.555   3.729
  390   2HG   GLU  54          2HG       GLU  54   8.639  -9.813   5.462
  391    H    ALA  55           H        ALA  55  12.612  -8.088   2.513
  392    HA   ALA  55           HA       ALA  55  12.703 -10.940   3.227
  393   1HB   ALA  55          1HB       ALA  55  12.404 -11.139   0.960
  394   2HB   ALA  55          2HB       ALA  55  14.162 -10.864   0.961
  395   3HB   ALA  55          3HB       ALA  55  13.051  -9.516   0.621
  396    H    GLU  56           H        GLU  56  15.011 -11.801   3.246
  397    HA   GLU  56           HA       GLU  56  16.816  -9.663   4.071
  398   1HB   GLU  56          1HB       GLU  56  15.808 -11.913   5.616
  399   2HB   GLU  56          2HB       GLU  56  17.548 -12.042   5.458
  400   1HG   GLU  56          1HG       GLU  56  16.307  -9.375   6.192
  401   2HG   GLU  56          2HG       GLU  56  16.502 -10.605   7.425
  402    H    CYS  57           H        CYS  57  17.267  -9.982   1.611
  403    HA   CYS  57           HA       CYS  57  18.976 -12.312   1.202
  404   1HB   CYS  57          1HB       CYS  57  16.992 -11.327  -0.376
  405   2HB   CYS  57          2HB       CYS  57  18.384 -10.522  -1.073
  406    H    THR  58           H        THR  58  20.991 -11.746   2.056
  407    HA   THR  58           HA       THR  58  22.911 -10.656   2.322
  408    HB   THR  58           HB       THR  58  22.100  -9.708  -0.471
  409    HG1  THR  58           HG1      THR  58  23.959 -11.636   0.736
  410   1HG2  THR  58          1HG2      THR  58  24.419  -8.948   1.220
  411   2HG2  THR  58          2HG2      THR  58  24.890  -9.721  -0.313
  412   3HG2  THR  58          3HG2      THR  58  23.879  -8.256  -0.329
  413    H    PHE  59           H        PHE  59  22.552  -9.437   4.137
  414    HA   PHE  59           HA       PHE  59  22.152  -7.649   5.370
  415   1HB   PHE  59          1HB       PHE  59  23.148  -6.535   2.702
  416   2HB   PHE  59          2HB       PHE  59  22.741  -5.422   3.993
  417    HD1  PHE  59           HD1      PHE  59  24.581  -8.677   3.841
  418    HD2  PHE  59           HD2      PHE  59  24.614  -4.607   5.040
  419    HE1  PHE  59           HE1      PHE  59  26.868  -8.986   4.828
  420    HE2  PHE  59           HE2      PHE  59  26.900  -4.916   6.028
  421    HZ   PHE  59           HZ       PHE  59  28.000  -7.102   5.910

  No H/Q in entry =         421
  Start of MODEL   27
    1    H    GLU   1           H        GLU   1   5.859 -17.635  17.016
    2    HA   GLU   1           HA       GLU   1   5.348 -17.408  14.649
    3   1HB   GLU   1          1HB       GLU   1   2.787 -18.633  15.660
    4   2HB   GLU   1          2HB       GLU   1   2.689 -17.497  14.328
    5   1HG   GLU   1          1HG       GLU   1   4.112 -18.841  12.929
    6   2HG   GLU   1          2HG       GLU   1   4.669 -19.808  14.281
    7    H    GLU   2           H        GLU   2   4.398 -15.361  13.850
    8    HA   GLU   2           HA       GLU   2   2.865 -13.759  15.544
    9   1HB   GLU   2          1HB       GLU   2   4.565 -12.017  16.088
   10   2HB   GLU   2          2HB       GLU   2   4.902 -13.544  16.878
   11   1HG   GLU   2          1HG       GLU   2   6.151 -12.898  14.185
   12   2HG   GLU   2          2HG       GLU   2   6.863 -12.282  15.663
   13    H    TYR   3           H        TYR   3   3.035 -11.298  14.645
   14    HA   TYR   3           HA       TYR   3   3.938 -11.045  11.965
   15   1HB   TYR   3          1HB       TYR   3   1.685 -12.519  12.103
   16   2HB   TYR   3          2HB       TYR   3   0.913 -10.979  12.428
   17    HD1  TYR   3           HD1      TYR   3   3.650 -11.932  10.039
   18    HD2  TYR   3           HD2      TYR   3  -0.295 -10.354  10.544
   19    HE1  TYR   3           HE1      TYR   3   3.507 -11.471   7.543
   20    HE2  TYR   3           HE2      TYR   3  -0.424  -9.899   8.046
   21    HH   TYR   3           HH       TYR   3   1.877 -11.178   5.860
   22    H    VAL   4           H        VAL   4   3.173  -8.892  11.008
   23    HA   VAL   4           HA       VAL   4   2.307  -7.039  13.094
   24    HB   VAL   4           HB       VAL   4   4.743  -7.022  13.116
   25   1HG1  VAL   4          1HG1      VAL   4   4.386  -6.873  10.171
   26   2HG1  VAL   4          2HG1      VAL   4   5.683  -5.865  10.857
   27   3HG1  VAL   4          3HG1      VAL   4   5.678  -7.623  11.137
   28   1HG2  VAL   4          1HG2      VAL   4   3.489  -4.552  11.872
   29   2HG2  VAL   4          2HG2      VAL   4   3.619  -4.936  13.605
   30   3HG2  VAL   4          3HG2      VAL   4   5.086  -4.595  12.657
   31    H    GLY   5           H        GLY   5   0.960  -5.414  12.336
   32   1HA   GLY   5          1HA       GLY   5  -0.454  -5.781  10.003
   33   2HA   GLY   5          2HA       GLY   5   0.847  -4.687   9.579
   34    H    LEU   6           H        LEU   6   1.012  -3.532  12.365
   35    HA   LEU   6           HA       LEU   6  -1.408  -1.882  12.174
   36   1HB   LEU   6          1HB       LEU   6  -0.922  -1.690  14.774
   37   2HB   LEU   6          2HB       LEU   6  -1.989  -2.896  14.083
   38    HG   LEU   6           HG       LEU   6  -0.369  -3.692  15.857
   39   1HD1  LEU   6          1HD1      LEU   6  -0.922  -4.927  13.231
   40   2HD1  LEU   6          2HD1      LEU   6   0.398  -5.669  14.167
   41   3HD1  LEU   6          3HD1      LEU   6  -1.227  -5.527  14.879
   42   1HD2  LEU   6          1HD2      LEU   6   1.520  -2.389  14.274
   43   2HD2  LEU   6          2HD2      LEU   6   1.834  -3.460  15.660
   44   3HD2  LEU   6          3HD2      LEU   6   1.828  -4.121  14.008
   45    H    SER   7           H        SER   7   0.909  -1.304  10.731
   46    HA   SER   7           HA       SER   7   1.391   1.256  11.455
   47   1HB   SER   7          1HB       SER   7   3.835   1.051  12.255
   48   2HB   SER   7          2HB       SER   7   2.583   0.697  13.429
   49    HG   SER   7           HG       SER   7   2.921  -1.650  12.494
   50    H    ALA   8           H        ALA   8   3.901   1.847  10.476
   51    HA   ALA   8           HA       ALA   8   3.661   1.469   7.769
   52   1HB   ALA   8          1HB       ALA   8   5.055   3.216   8.387
   53   2HB   ALA   8          2HB       ALA   8   5.874   2.261   9.646
   54   3HB   ALA   8          3HB       ALA   8   6.259   1.987   7.930
   55    H    ASN   9           H        ASN   9   6.777   0.325   8.924
   56    HA   ASN   9           HA       ASN   9   7.906  -1.468   8.430
   57   1HB   ASN   9          1HB       ASN   9   5.294  -2.598   9.482
   58   2HB   ASN   9          2HB       ASN   9   6.506  -3.714   8.885
   59   2HD2  ASN   9          2HD2      ASN   9   5.386  -2.973  11.602
   60   1HD2  ASN   9          1HD2      ASN   9   6.766  -2.726  12.618
   61    H    GLN  10           H        GLN  10   4.891  -3.224   7.615
   62    HA   GLN  10           HA       GLN  10   5.763  -4.216   5.264
   63   1HB   GLN  10          1HB       GLN  10   3.510  -4.507   6.739
   64   2HB   GLN  10          2HB       GLN  10   2.845  -3.538   5.440
   65   1HG   GLN  10          1HG       GLN  10   3.986  -5.211   3.814
   66   2HG   GLN  10          2HG       GLN  10   4.244  -6.234   5.214
   67   2HE2  GLN  10          2HE2      GLN  10   2.091  -6.092   6.705
   68   1HE2  GLN  10          1HE2      GLN  10   0.652  -6.590   5.879
   69    H    CYS  11           H        CYS  11   4.152  -1.069   5.893
   70    HA   CYS  11           HA       CYS  11   4.554  -0.433   3.061
   71   1HB   CYS  11          1HB       CYS  11   2.775   1.302   4.653
   72   2HB   CYS  11          2HB       CYS  11   2.633   0.744   2.998
   73    H    ALA  12           H        ALA  12   6.814  -0.359   4.624
   74    HA   ALA  12           HA       ALA  12   7.063   2.468   5.393
   75   1HB   ALA  12          1HB       ALA  12   9.204   0.690   6.284
   76   2HB   ALA  12          2HB       ALA  12   7.608   0.129   6.839
   77   3HB   ALA  12          3HB       ALA  12   8.160   1.775   7.234
   78    H    VAL  13           H        VAL  13   7.076   2.005   2.686
   79    HA   VAL  13           HA       VAL  13   9.806   1.529   1.860
   80    HB   VAL  13           HB       VAL  13   7.791   2.522  -0.057
   81   1HG1  VAL  13          1HG1      VAL  13  10.068   0.643   0.054
   82   2HG1  VAL  13          2HG1      VAL  13   8.715   0.122  -0.979
   83   3HG1  VAL  13          3HG1      VAL  13   9.504   1.691  -1.270
   84   1HG2  VAL  13          1HG2      VAL  13   7.318   0.110   1.663
   85   2HG2  VAL  13          2HG2      VAL  13   6.160   1.299   1.021
   86   3HG2  VAL  13          3HG2      VAL  13   6.848   0.058  -0.053
   87    HA   PRO  14           HA       PRO  14  10.879   5.717   1.805
   88   1HB   PRO  14          1HB       PRO  14  12.978   5.689   0.056
   89   2HB   PRO  14          2HB       PRO  14  13.124   5.212   1.735
   90   1HG   PRO  14          1HG       PRO  14  13.051   3.504  -0.676
   91   2HG   PRO  14          2HG       PRO  14  13.613   3.104   0.935
   92   1HD   PRO  14          1HD       PRO  14  11.123   2.326  -0.257
   93   2HD   PRO  14          2HD       PRO  14  11.635   2.026   1.392
   94    H    ALA  15           H        ALA  15   9.226   4.293  -0.574
   95    HA   ALA  15           HA       ALA  15   7.808   5.320  -2.000
   96   1HB   ALA  15          1HB       ALA  15   9.419   7.843  -2.176
   97   2HB   ALA  15          2HB       ALA  15   7.654   7.615  -2.178
   98   3HB   ALA  15          3HB       ALA  15   8.564   7.503  -0.652
   99    H    LYS  16           H        LYS  16  11.263   5.066  -2.167
  100    HA   LYS  16           HA       LYS  16  11.242   5.309  -5.071
  101   1HB   LYS  16          1HB       LYS  16  13.693   5.186  -4.861
  102   2HB   LYS  16          2HB       LYS  16  13.007   6.498  -3.924
  103   1HG   LYS  16          1HG       LYS  16  14.672   5.362  -2.550
  104   2HG   LYS  16          2HG       LYS  16  13.088   5.051  -1.868
  105   1HD   LYS  16          1HD       LYS  16  13.062   2.805  -2.577
  106   2HD   LYS  16          2HD       LYS  16  14.178   3.096  -3.897
  107   1HE   LYS  16          1HE       LYS  16  16.073   3.240  -2.402
  108   2HE   LYS  16          2HE       LYS  16  15.045   3.362  -0.988
  109   1HZ   LYS  16          1HZ       LYS  16  14.206   1.080  -1.887
  110   2HZ   LYS  16          2HZ       LYS  16  15.688   1.028  -2.572
  111   3HZ   LYS  16          3HZ       LYS  16  15.542   1.177  -0.952
  112    H    ASP  17           H        ASP  17  10.125   3.067  -3.086
  113    HA   ASP  17           HA       ASP  17  11.231   0.935  -4.726
  114   1HB   ASP  17          1HB       ASP  17  11.423   1.250  -1.845
  115   2HB   ASP  17          2HB       ASP  17  10.424  -0.148  -2.190
  116    H    ARG  18           H        ARG  18   8.678   2.756  -4.479
  117    HA   ARG  18           HA       ARG  18   6.648   0.999  -3.631
  118   1HB   ARG  18          1HB       ARG  18   6.318   3.439  -5.439
  119   2HB   ARG  18          2HB       ARG  18   5.114   2.746  -4.370
  120   1HG   ARG  18          1HG       ARG  18   7.735   4.035  -3.467
  121   2HG   ARG  18          2HG       ARG  18   6.160   4.802  -3.403
  122   1HD   ARG  18          1HD       ARG  18   5.441   2.699  -1.985
  123   2HD   ARG  18          2HD       ARG  18   7.162   2.431  -1.786
  124    HE   ARG  18           HE       ARG  18   7.166   4.161  -0.230
  125   1HH1  ARG  18          1HH1      ARG  18   4.521   4.710  -2.485
  126   2HH1  ARG  18          2HH1      ARG  18   3.956   6.133  -1.674
  127   1HH2  ARG  18          1HH2      ARG  18   6.421   6.038   0.840
  128   2HH2  ARG  18          2HH2      ARG  18   5.044   6.893   0.230
  129    H    VAL  19           H        VAL  19   5.715  -0.655  -4.802
  130    HA   VAL  19           HA       VAL  19   6.463  -0.915  -7.586
  131    HB   VAL  19           HB       VAL  19   4.886  -2.726  -5.746
  132   1HG1  VAL  19          1HG1      VAL  19   4.426  -3.150  -8.119
  133   2HG1  VAL  19          2HG1      VAL  19   6.171  -3.286  -8.441
  134   3HG1  VAL  19          3HG1      VAL  19   5.363  -4.480  -7.398
  135   1HG2  VAL  19          1HG2      VAL  19   7.418  -2.111  -5.277
  136   2HG2  VAL  19          2HG2      VAL  19   6.832  -3.784  -5.120
  137   3HG2  VAL  19          3HG2      VAL  19   7.709  -3.282  -6.585
  138    H    ASP  20           H        ASP  20   4.024   0.615  -5.792
  139    HA   ASP  20           HA       ASP  20   2.078   1.440  -6.272
  140   1HB   ASP  20          1HB       ASP  20   3.021   2.575  -8.141
  141   2HB   ASP  20          2HB       ASP  20   3.227   1.095  -9.055
  142    H    CYS  21           H        CYS  21   0.362   0.093  -5.676
  143    HA   CYS  21           HA       CYS  21   0.033  -2.458  -6.873
  144   1HB   CYS  21          1HB       CYS  21  -0.605  -1.480  -4.471
  145   2HB   CYS  21          2HB       CYS  21  -2.145  -1.216  -5.264
  146    H    GLY  22           H        GLY  22  -0.937   0.818  -7.573
  147   1HA   GLY  22          1HA       GLY  22  -2.221   0.083  -9.989
  148   2HA   GLY  22          2HA       GLY  22  -2.126   1.682  -9.279
  149    H    TYR  23           H        TYR  23  -3.771   2.408  -7.778
  150    HA   TYR  23           HA       TYR  23  -6.258   0.898  -8.096
  151   1HB   TYR  23          1HB       TYR  23  -4.701   1.748  -5.633
  152   2HB   TYR  23          2HB       TYR  23  -6.441   1.932  -5.543
  153    HD1  TYR  23           HD1      TYR  23  -7.762  -0.275  -6.458
  154    HD2  TYR  23           HD2      TYR  23  -3.824  -0.220  -4.787
  155    HE1  TYR  23           HE1      TYR  23  -7.984  -2.730  -5.838
  156    HE2  TYR  23           HE2      TYR  23  -4.059  -2.676  -4.172
  157    HH   TYR  23           HH       TYR  23  -6.137  -4.668  -5.479
  158    HA   PRO  24           HA       PRO  24  -7.809   4.865  -8.874
  159   1HB   PRO  24          1HB       PRO  24 -10.491   4.417  -8.600
  160   2HB   PRO  24          2HB       PRO  24  -9.594   4.010 -10.050
  161   1HG   PRO  24          1HG       PRO  24 -10.613   2.213  -7.935
  162   2HG   PRO  24          2HG       PRO  24 -10.105   1.814  -9.563
  163   1HD   PRO  24          1HD       PRO  24  -8.622   1.376  -7.147
  164   2HD   PRO  24          2HD       PRO  24  -8.068   1.084  -8.784
  165    H    HIS  25           H        HIS  25  -9.999   3.659  -6.384
  166    HA   HIS  25           HA       HIS  25  -9.612   6.185  -5.022
  167   1HB   HIS  25          1HB       HIS  25 -11.556   5.607  -3.750
  168   2HB   HIS  25          2HB       HIS  25 -11.887   5.308  -5.444
  169    HD1  HIS  25           HD1      HIS  25 -13.641   3.889  -3.422
  170    HD2  HIS  25           HD2      HIS  25 -10.068   2.244  -4.878
  171    HE1  HIS  25           HE1      HIS  25 -13.824   1.367  -3.082
  172    HE2  HIS  25           HE2      HIS  25 -11.623   0.406  -4.046
  173    H    VAL  26           H        VAL  26  -7.438   5.917  -4.262
  174    HA   VAL  26           HA       VAL  26  -7.034   3.696  -2.410
  175    HB   VAL  26           HB       VAL  26  -4.666   4.447  -2.501
  176   1HG1  VAL  26          1HG1      VAL  26  -5.470   2.643  -3.946
  177   2HG1  VAL  26          2HG1      VAL  26  -5.959   3.829  -5.179
  178   3HG1  VAL  26          3HG1      VAL  26  -4.237   3.618  -4.782
  179   1HG2  VAL  26          1HG2      VAL  26  -5.644   6.828  -3.421
  180   2HG2  VAL  26          2HG2      VAL  26  -3.953   6.295  -3.584
  181   3HG2  VAL  26          3HG2      VAL  26  -5.092   6.069  -4.933
  182    H    THR  27           H        THR  27  -6.902   3.979  -0.214
  183    HA   THR  27           HA       THR  27  -6.540   6.664   0.831
  184    HB   THR  27           HB       THR  27  -8.668   6.827   1.841
  185    HG1  THR  27           HG1      THR  27  -9.847   4.844   2.281
  186   1HG2  THR  27          1HG2      THR  27  -9.142   5.104  -0.649
  187   2HG2  THR  27          2HG2      THR  27 -10.427   5.959   0.238
  188   3HG2  THR  27          3HG2      THR  27  -9.146   6.883  -0.583
  189    HA   PRO  28           HA       PRO  28  -4.682   4.567   4.085
  190   1HB   PRO  28          1HB       PRO  28  -5.365   5.959   6.335
  191   2HB   PRO  28          2HB       PRO  28  -4.139   6.503   5.207
  192   1HG   PRO  28          1HG       PRO  28  -6.894   7.509   5.577
  193   2HG   PRO  28          2HG       PRO  28  -5.540   8.286   4.783
  194   1HD   PRO  28          1HD       PRO  28  -7.770   7.006   3.512
  195   2HD   PRO  28          2HD       PRO  28  -6.359   7.681   2.722
  196    H    LYS  29           H        LYS  29  -7.062   3.326   3.219
  197    HA   LYS  29           HA       LYS  29  -7.358   1.496   5.289
  198   1HB   LYS  29          1HB       LYS  29  -8.586   3.622   6.200
  199   2HB   LYS  29          2HB       LYS  29  -9.859   3.155   5.091
  200   1HG   LYS  29          1HG       LYS  29  -9.015   0.767   6.451
  201   2HG   LYS  29          2HG       LYS  29  -9.202   2.011   7.671
  202   1HD   LYS  29          1HD       LYS  29 -11.378   1.892   5.623
  203   2HD   LYS  29          2HD       LYS  29 -11.277   0.505   6.688
  204   1HE   LYS  29          1HE       LYS  29 -11.653   1.809   8.642
  205   2HE   LYS  29          2HE       LYS  29 -11.177   3.302   7.858
  206   1HZ   LYS  29          1HZ       LYS  29 -13.488   1.842   6.854
  207   2HZ   LYS  29          2HZ       LYS  29 -13.645   2.773   8.187
  208   3HZ   LYS  29          3HZ       LYS  29 -13.168   3.441   6.775
  209    H    GLU  30           H        GLU  30  -8.918   3.193   2.518
  210    HA   GLU  30           HA       GLU  30 -10.265   0.846   1.699
  211   1HB   GLU  30          1HB       GLU  30 -11.178   3.049   1.165
  212   2HB   GLU  30          2HB       GLU  30  -9.722   3.499   0.301
  213   1HG   GLU  30          1HG       GLU  30 -10.411   2.454  -1.600
  214   2HG   GLU  30          2HG       GLU  30 -10.797   0.979  -0.737
  215    H    CYS  31           H        CYS  31  -7.194   2.508   0.865
  216    HA   CYS  31           HA       CYS  31  -6.652   0.878  -1.374
  217   1HB   CYS  31          1HB       CYS  31  -5.505   2.849  -1.479
  218   2HB   CYS  31          2HB       CYS  31  -5.169   2.890   0.241
  219    H    ASN  32           H        ASN  32  -6.008   0.769   2.153
  220    HA   ASN  32           HA       ASN  32  -4.277  -1.481   1.869
  221   1HB   ASN  32          1HB       ASN  32  -3.717  -1.031   4.060
  222   2HB   ASN  32          2HB       ASN  32  -4.568   0.477   3.793
  223   2HD2  ASN  32          2HD2      ASN  32  -4.269  -2.081   5.797
  224   1HD2  ASN  32          1HD2      ASN  32  -5.816  -2.098   6.576
  225    H    ASN  33           H        ASN  33  -7.592  -0.989   1.636
  226    HA   ASN  33           HA       ASN  33  -8.287  -3.402   3.075
  227   1HB   ASN  33          1HB       ASN  33  -9.809  -1.567   3.506
  228   2HB   ASN  33          2HB       ASN  33  -9.906  -1.146   1.807
  229   2HD2  ASN  33          2HD2      ASN  33 -11.787  -1.599   0.980
  230   1HD2  ASN  33          1HD2      ASN  33 -12.774  -2.987   1.294
  231    H    ARG  34           H        ARG  34  -8.258  -1.836  -0.174
  232    HA   ARG  34           HA       ARG  34  -9.660  -3.727  -1.556
  233   1HB   ARG  34          1HB       ARG  34  -8.412  -1.383  -2.201
  234   2HB   ARG  34          2HB       ARG  34  -7.267  -2.505  -2.908
  235   1HG   ARG  34          1HG       ARG  34  -9.086  -1.769  -4.503
  236   2HG   ARG  34          2HG       ARG  34  -8.975  -3.508  -4.314
  237   1HD   ARG  34          1HD       ARG  34 -10.801  -2.191  -2.363
  238   2HD   ARG  34          2HD       ARG  34 -11.307  -2.034  -4.033
  239    HE   ARG  34           HE       ARG  34 -10.503  -4.758  -3.459
  240   1HH1  ARG  34          1HH1      ARG  34 -13.141  -2.473  -3.015
  241   2HH1  ARG  34          2HH1      ARG  34 -14.355  -3.702  -2.895
  242   1HH2  ARG  34          1HH2      ARG  34 -12.104  -6.381  -3.300
  243   2HH2  ARG  34          2HH2      ARG  34 -13.762  -5.940  -3.058
  244    H    GLY  35           H        GLY  35  -6.349  -3.752  -0.289
  245   1HA   GLY  35          1HA       GLY  35  -5.880  -6.355  -1.619
  246   2HA   GLY  35          2HA       GLY  35  -5.522  -6.056   0.070
  247    H    CYS  36           H        CYS  36  -3.992  -4.131   0.536
  248    HA   CYS  36           HA       CYS  36  -1.575  -4.567  -0.598
  249   1HB   CYS  36          1HB       CYS  36  -3.159  -3.174  -2.470
  250   2HB   CYS  36          2HB       CYS  36  -2.045  -1.992  -1.812
  251    H    CYS  37           H        CYS  37  -0.571  -1.798  -0.594
  252    HA   CYS  37           HA       CYS  37  -1.255  -1.077   2.164
  253   1HB   CYS  37          1HB       CYS  37   1.359  -1.408   0.804
  254   2HB   CYS  37          2HB       CYS  37   1.211  -0.019   1.862
  255    H    PHE  38           H        PHE  38  -1.194   1.277   2.614
  256    HA   PHE  38           HA       PHE  38  -1.544   2.845   0.155
  257   1HB   PHE  38          1HB       PHE  38  -3.652   2.533   1.418
  258   2HB   PHE  38          2HB       PHE  38  -2.852   2.896   2.934
  259    HD1  PHE  38           HD1      PHE  38  -4.066   4.362  -0.224
  260    HD2  PHE  38           HD2      PHE  38  -2.563   5.144   3.666
  261    HE1  PHE  38           HE1      PHE  38  -4.719   6.775  -0.457
  262    HE2  PHE  38           HE2      PHE  38  -3.216   7.557   3.434
  263    HZ   PHE  38           HZ       PHE  38  -4.286   8.343   1.375
  264    H    ASP  39           H        ASP  39  -1.321   5.340   0.720
  265    HA   ASP  39           HA       ASP  39   0.288   6.069   2.847
  266   1HB   ASP  39          1HB       ASP  39   2.088   4.834   1.755
  267   2HB   ASP  39          2HB       ASP  39   1.721   5.561   0.204
  268    H    SER  40           H        SER  40   0.524   8.414   2.834
  269    HA   SER  40           HA       SER  40  -0.375   9.710   0.394
  270   1HB   SER  40          1HB       SER  40  -1.843  11.211   1.667
  271   2HB   SER  40          2HB       SER  40  -2.322   9.545   1.926
  272    HG   SER  40           HG       SER  40  -1.459  11.419   3.760
  273    H    ARG  41           H        ARG  41   2.204   9.213   2.136
  274    HA   ARG  41           HA       ARG  41   2.940  11.571   3.308
  275   1HB   ARG  41          1HB       ARG  41   4.102   9.127   3.017
  276   2HB   ARG  41          2HB       ARG  41   5.040  10.002   1.823
  277   1HG   ARG  41          1HG       ARG  41   5.626  11.723   3.547
  278   2HG   ARG  41          2HG       ARG  41   4.693  10.842   4.741
  279   1HD   ARG  41          1HD       ARG  41   6.198   8.805   4.236
  280   2HD   ARG  41          2HD       ARG  41   7.213   9.889   3.307
  281    HE   ARG  41           HE       ARG  41   6.849  11.148   5.800
  282   1HH1  ARG  41          1HH1      ARG  41   8.220   8.128   4.624
  283   2HH1  ARG  41          2HH1      ARG  41   9.365   7.996   5.917
  284   1HH2  ARG  41          1HH2      ARG  41   8.360  10.974   7.506
  285   2HH2  ARG  41          2HH2      ARG  41   9.445   9.626   7.567
  286    H    ILE  42           H        ILE  42   3.478  10.380  -0.081
  287    HA   ILE  42           HA       ILE  42   3.622  13.148  -0.947
  288    HB   ILE  42           HB       ILE  42   5.636  12.047  -2.429
  289   1HG1  ILE  42          1HG1      ILE  42   7.223  11.049  -0.808
  290   2HG1  ILE  42          2HG1      ILE  42   5.964  11.033   0.411
  291   1HG2  ILE  42          1HG2      ILE  42   5.308  14.287  -1.089
  292   2HG2  ILE  42          2HG2      ILE  42   6.321  13.461   0.119
  293   3HG2  ILE  42          3HG2      ILE  42   6.933  13.713  -1.534
  294   1HD1  ILE  42          1HD1      ILE  42   5.117   9.810  -2.151
  295   2HD1  ILE  42          2HD1      ILE  42   6.478   8.972  -1.367
  296   3HD1  ILE  42          3HD1      ILE  42   4.947   9.199  -0.488
  297    HA   PRO  43           HA       PRO  43   1.197  11.325  -4.037
  298   1HB   PRO  43          1HB       PRO  43   0.906  13.488  -5.682
  299   2HB   PRO  43          2HB       PRO  43  -0.074  13.232  -4.253
  300   1HG   PRO  43          1HG       PRO  43   2.157  15.129  -4.655
  301   2HG   PRO  43          2HG       PRO  43   0.911  15.145  -3.423
  302   1HD   PRO  43          1HD       PRO  43   3.639  14.319  -3.095
  303   2HD   PRO  43          2HD       PRO  43   2.364  14.226  -1.896
  304    H    GLY  44           H        GLY  44   4.084  13.081  -4.927
  305   1HA   GLY  44          1HA       GLY  44   5.752  12.391  -6.306
  306   2HA   GLY  44          2HA       GLY  44   4.475  12.489  -7.502
  307    H    VAL  45           H        VAL  45   4.798  10.153  -4.757
  308    HA   VAL  45           HA       VAL  45   5.390   8.045  -6.679
  309    HB   VAL  45           HB       VAL  45   6.312   6.890  -4.953
  310   1HG1  VAL  45          1HG1      VAL  45   7.056   9.491  -5.091
  311   2HG1  VAL  45          2HG1      VAL  45   6.596   9.388  -3.375
  312   3HG1  VAL  45          3HG1      VAL  45   7.837   8.293  -4.031
  313   1HG2  VAL  45          1HG2      VAL  45   4.345   8.271  -3.104
  314   2HG2  VAL  45          2HG2      VAL  45   4.375   6.559  -3.590
  315   3HG2  VAL  45          3HG2      VAL  45   5.655   7.207  -2.536
  316    HA   PRO  46           HA       PRO  46   1.460   6.263  -6.392
  317   1HB   PRO  46          1HB       PRO  46   1.892   3.574  -6.162
  318   2HB   PRO  46          2HB       PRO  46   2.034   4.442  -7.678
  319   1HG   PRO  46          1HG       PRO  46   4.179   3.406  -5.928
  320   2HG   PRO  46          2HG       PRO  46   4.270   3.883  -7.612
  321   1HD   PRO  46          1HD       PRO  46   5.196   5.385  -5.351
  322   2HD   PRO  46          2HD       PRO  46   5.180   5.910  -7.022
  323    H    TRP  47           H        TRP  47   0.606   7.290  -4.576
  324    HA   TRP  47           HA       TRP  47   1.023   6.886  -2.026
  325   1HB   TRP  47          1HB       TRP  47  -1.510   7.188  -3.564
  326   2HB   TRP  47          2HB       TRP  47  -1.634   6.800  -1.859
  327    HD1  TRP  47           HD1      TRP  47   1.237   9.096  -2.965
  328    HE1  TRP  47           HE1      TRP  47   0.898  11.560  -2.082
  329    HE3  TRP  47           HE3      TRP  47  -3.492   8.387  -1.237
  330    HZ2  TRP  47           HZ2      TRP  47  -1.262  12.905  -0.789
  331    HZ3  TRP  47           HZ3      TRP  47  -4.645  10.327  -0.178
  332    HH2  TRP  47           HH2      TRP  47  -3.606  12.526   0.059
  333    H    CYS  48           H        CYS  48  -1.089   4.657  -3.986
  334    HA   CYS  48           HA       CYS  48  -0.911   2.704  -1.865
  335   1HB   CYS  48          1HB       CYS  48  -3.014   3.311  -3.240
  336   2HB   CYS  48          2HB       CYS  48  -2.310   2.320  -4.502
  337    H    PHE  49           H        PHE  49   0.746   1.226  -1.845
  338    HA   PHE  49           HA       PHE  49   1.743   0.286  -4.418
  339   1HB   PHE  49          1HB       PHE  49   4.090   0.508  -3.294
  340   2HB   PHE  49          2HB       PHE  49   3.345   2.009  -3.809
  341    HD1  PHE  49           HD1      PHE  49   3.703  -0.180  -0.816
  342    HD2  PHE  49           HD2      PHE  49   3.102   3.754  -2.292
  343    HE1  PHE  49           HE1      PHE  49   3.921   0.728   1.514
  344    HE2  PHE  49           HE2      PHE  49   3.320   4.661   0.039
  345    HZ   PHE  49           HZ       PHE  49   3.726   3.137   1.913
  346    H    LYS  50           H        LYS  50   3.230  -1.685  -4.088
  347    HA   LYS  50           HA       LYS  50   1.851  -3.530  -2.461
  348   1HB   LYS  50          1HB       LYS  50   4.541  -3.882  -3.811
  349   2HB   LYS  50          2HB       LYS  50   3.432  -5.142  -3.310
  350   1HG   LYS  50          1HG       LYS  50   1.702  -4.186  -4.899
  351   2HG   LYS  50          2HG       LYS  50   2.898  -3.030  -5.452
  352   1HD   LYS  50          1HD       LYS  50   3.276  -4.676  -7.032
  353   2HD   LYS  50          2HD       LYS  50   4.372  -5.261  -5.797
  354   1HE   LYS  50          1HE       LYS  50   2.904  -6.981  -5.107
  355   2HE   LYS  50          2HE       LYS  50   1.483  -6.159  -5.722
  356   1HZ   LYS  50          1HZ       LYS  50   3.606  -7.284  -7.413
  357   2HZ   LYS  50          2HZ       LYS  50   2.176  -8.011  -7.106
  358   3HZ   LYS  50          3HZ       LYS  50   2.216  -6.607  -7.939
  359    HA   PRO  51           HA       PRO  51   4.117  -3.366   1.208
  360   1HB   PRO  51          1HB       PRO  51   4.264  -5.971   2.022
  361   2HB   PRO  51          2HB       PRO  51   2.827  -4.987   2.213
  362   1HG   PRO  51          1HG       PRO  51   3.348  -7.147   0.263
  363   2HG   PRO  51          2HG       PRO  51   1.814  -6.455   0.751
  364   1HD   PRO  51          1HD       PRO  51   3.229  -5.940  -1.690
  365   2HD   PRO  51          2HD       PRO  51   1.755  -5.163  -1.149
  366    H    LEU  52           H        LEU  52   6.137  -2.750   1.615
  367    HA   LEU  52           HA       LEU  52   8.221  -3.192   0.048
  368   1HB   LEU  52          1HB       LEU  52   8.482  -1.710   1.816
  369   2HB   LEU  52          2HB       LEU  52   8.034  -2.898   3.024
  370    HG   LEU  52           HG       LEU  52  10.588  -3.086   1.413
  371   1HD1  LEU  52          1HD1      LEU  52   9.930  -1.390   3.750
  372   2HD1  LEU  52          2HD1      LEU  52  11.452  -2.308   3.848
  373   3HD1  LEU  52          3HD1      LEU  52  11.172  -1.192   2.489
  374   1HD2  LEU  52          1HD2      LEU  52   9.276  -4.846   3.232
  375   2HD2  LEU  52          2HD2      LEU  52  10.842  -5.048   2.410
  376   3HD2  LEU  52          3HD2      LEU  52  10.768  -4.255   4.003
  377    H    GLN  53           H        GLN  53   9.650  -4.789  -0.536
  378    HA   GLN  53           HA       GLN  53   8.876  -7.417   0.007
  379   1HB   GLN  53          1HB       GLN  53  11.008  -7.993  -1.235
  380   2HB   GLN  53          2HB       GLN  53   9.932  -6.914  -2.099
  381   1HG   GLN  53          1HG       GLN  53  11.752  -5.372  -0.411
  382   2HG   GLN  53          2HG       GLN  53  12.663  -6.459  -1.439
  383   2HE2  GLN  53          2HE2      GLN  53  11.135  -3.512  -1.211
  384   1HE2  GLN  53          1HE2      GLN  53  11.023  -3.079  -2.885
  385    H    GLU  54           H        GLU  54   8.901  -7.114   2.469
  386    HA   GLU  54           HA       GLU  54  10.989  -6.625   4.012
  387   1HB   GLU  54          1HB       GLU  54   9.907  -7.846   5.710
  388   2HB   GLU  54          2HB       GLU  54   8.601  -7.482   4.600
  389   1HG   GLU  54          1HG       GLU  54   9.125  -9.777   3.489
  390   2HG   GLU  54          2HG       GLU  54  10.105 -10.112   4.903
  391    H    ALA  55           H        ALA  55  13.065  -7.342   4.230
  392    HA   ALA  55           HA       ALA  55  13.774 -10.037   4.228
  393   1HB   ALA  55          1HB       ALA  55  13.317 -10.055   1.854
  394   2HB   ALA  55          2HB       ALA  55  15.084 -10.058   2.070
  395   3HB   ALA  55          3HB       ALA  55  14.246  -8.556   1.612
  396    H    GLU  56           H        GLU  56  14.252  -8.118   6.049
  397    HA   GLU  56           HA       GLU  56  17.013  -8.101   6.195
  398   1HB   GLU  56          1HB       GLU  56  16.126  -6.048   4.521
  399   2HB   GLU  56          2HB       GLU  56  16.318  -5.235   6.062
  400   1HG   GLU  56          1HG       GLU  56  18.640  -6.464   6.176
  401   2HG   GLU  56          2HG       GLU  56  18.415  -6.741   4.461
  402    H    CYS  57           H        CYS  57  14.508  -5.601   7.052
  403    HA   CYS  57           HA       CYS  57  15.298  -5.812   9.804
  404   1HB   CYS  57          1HB       CYS  57  13.717  -3.958   8.151
  405   2HB   CYS  57          2HB       CYS  57  13.100  -4.180   9.776
  406    H    THR  58           H        THR  58  14.652  -7.880  10.548
  407    HA   THR  58           HA       THR  58  11.786  -8.492  10.261
  408    HB   THR  58           HB       THR  58  14.305 -10.191  10.547
  409    HG1  THR  58           HG1      THR  58  13.677  -9.759   8.396
  410   1HG2  THR  58          1HG2      THR  58  11.439 -10.838  11.220
  411   2HG2  THR  58          2HG2      THR  58  12.328 -12.025  10.235
  412   3HG2  THR  58          3HG2      THR  58  12.937 -11.571  11.845
  413    H    PHE  59           H        PHE  59  14.509  -8.972  12.618
  414    HA   PHE  59           HA       PHE  59  12.754  -7.947  14.684
  415   1HB   PHE  59          1HB       PHE  59  12.251 -10.326  14.784
  416   2HB   PHE  59          2HB       PHE  59  13.907 -10.768  14.418
  417    HD1  PHE  59           HD1      PHE  59  15.647 -10.610  16.168
  418    HD2  PHE  59           HD2      PHE  59  11.560  -9.863  17.033
  419    HE1  PHE  59           HE1      PHE  59  16.117 -10.874  18.619
  420    HE2  PHE  59           HE2      PHE  59  12.030 -10.127  19.484
  421    HZ   PHE  59           HZ       PHE  59  14.303 -10.630  20.248

  No H/Q in entry =         421
  Start of MODEL   28
    1    H    GLU   1           H        GLU   1  12.213 -17.013  17.845
    2    HA   GLU   1           HA       GLU   1  10.114 -16.464  17.699
    3   1HB   GLU   1          1HB       GLU   1  11.498 -14.045  18.624
    4   2HB   GLU   1          2HB       GLU   1   9.985 -13.655  17.831
    5   1HG   GLU   1          1HG       GLU   1   8.715 -15.056  19.332
    6   2HG   GLU   1          2HG       GLU   1  10.157 -15.844  19.941
    7    H    GLU   2           H        GLU   2   8.491 -16.070  16.149
    8    HA   GLU   2           HA       GLU   2   9.491 -15.471  13.562
    9   1HB   GLU   2          1HB       GLU   2   7.227 -16.033  12.800
   10   2HB   GLU   2          2HB       GLU   2   7.781 -17.229  13.956
   11   1HG   GLU   2          1HG       GLU   2   6.480 -16.175  15.758
   12   2HG   GLU   2          2HG       GLU   2   6.039 -14.838  14.715
   13    H    TYR   3           H        TYR   3   7.846 -13.987  12.131
   14    HA   TYR   3           HA       TYR   3   7.359 -11.533  13.672
   15   1HB   TYR   3          1HB       TYR   3   9.394 -11.109  12.445
   16   2HB   TYR   3          2HB       TYR   3   8.918 -12.162  11.128
   17    HD1  TYR   3           HD1      TYR   3   8.424  -8.811  12.625
   18    HD2  TYR   3           HD2      TYR   3   7.652 -11.333   9.256
   19    HE1  TYR   3           HE1      TYR   3   7.644  -6.796  11.286
   20    HE2  TYR   3           HE2      TYR   3   6.875  -9.308   7.929
   21    HH   TYR   3           HH       TYR   3   7.269  -6.881   7.956
   22    H    VAL   4           H        VAL   4   5.841 -10.009  12.544
   23    HA   VAL   4           HA       VAL   4   4.372 -10.701  10.317
   24    HB   VAL   4           HB       VAL   4   3.536 -12.629  11.350
   25   1HG1  VAL   4          1HG1      VAL   4   3.398 -10.937  13.832
   26   2HG1  VAL   4          2HG1      VAL   4   2.337 -12.356  13.669
   27   3HG1  VAL   4          3HG1      VAL   4   4.104 -12.554  13.595
   28   1HG2  VAL   4          1HG2      VAL   4   1.594 -10.323  11.539
   29   2HG2  VAL   4          2HG2      VAL   4   1.728 -11.577  10.282
   30   3HG2  VAL   4          3HG2      VAL   4   1.097 -11.995  11.894
   31    H    GLY   5           H        GLY   5   3.987  -8.630   9.728
   32   1HA   GLY   5          1HA       GLY   5   4.079  -6.354  11.033
   33   2HA   GLY   5          2HA       GLY   5   2.527  -6.927  11.609
   34    H    LEU   6           H        LEU   6   0.707  -6.634  10.348
   35    HA   LEU   6           HA       LEU   6   1.165  -5.979   7.529
   36   1HB   LEU   6          1HB       LEU   6  -1.504  -6.352   7.733
   37   2HB   LEU   6          2HB       LEU   6  -0.345  -7.583   7.274
   38    HG   LEU   6           HG       LEU   6  -1.959  -8.402   8.923
   39   1HD1  LEU   6          1HD1      LEU   6   0.830  -8.692   9.003
   40   2HD1  LEU   6          2HD1      LEU   6   0.317  -8.520  10.699
   41   3HD1  LEU   6          3HD1      LEU   6  -0.400  -9.789   9.677
   42   1HD2  LEU   6          1HD2      LEU   6  -1.274  -5.911  10.282
   43   2HD2  LEU   6          2HD2      LEU   6  -2.697  -6.965  10.459
   44   3HD2  LEU   6          3HD2      LEU   6  -1.205  -7.327  11.359
   45    H    SER   7           H        SER   7   1.987  -3.887   8.826
   46    HA   SER   7           HA       SER   7   0.221  -1.899   8.148
   47   1HB   SER   7          1HB       SER   7  -0.829  -1.186  10.096
   48   2HB   SER   7          2HB       SER   7  -0.853  -2.921  10.342
   49    HG   SER   7           HG       SER   7   0.204  -2.539  12.157
   50    H    ALA   8           H        ALA   8   1.852  -0.577   7.410
   51    HA   ALA   8           HA       ALA   8   3.478   0.958   7.629
   52   1HB   ALA   8          1HB       ALA   8   4.116   1.692   9.684
   53   2HB   ALA   8          2HB       ALA   8   4.541   0.057  10.247
   54   3HB   ALA   8          3HB       ALA   8   2.844   0.593  10.271
   55    H    ASN   9           H        ASN   9   4.660  -1.907   9.535
   56    HA   ASN   9           HA       ASN   9   7.127  -2.057   8.643
   57   1HB   ASN   9          1HB       ASN   9   5.092  -4.271   9.122
   58   2HB   ASN   9          2HB       ASN   9   6.732  -4.681   8.661
   59   2HD2  ASN   9          2HD2      ASN   9   8.209  -4.848  10.174
   60   1HD2  ASN   9          1HD2      ASN   9   8.106  -4.264  11.801
   61    H    GLN  10           H        GLN  10   4.188  -3.368   6.954
   62    HA   GLN  10           HA       GLN  10   5.698  -4.281   4.744
   63   1HB   GLN  10          1HB       GLN  10   2.744  -3.797   4.505
   64   2HB   GLN  10          2HB       GLN  10   3.693  -5.170   3.970
   65   1HG   GLN  10          1HG       GLN  10   4.054  -5.342   6.698
   66   2HG   GLN  10          2HG       GLN  10   2.447  -4.646   6.632
   67   2HE2  GLN  10          2HE2      GLN  10   1.209  -5.680   4.573
   68   1HE2  GLN  10          1HE2      GLN  10   1.096  -7.408   4.633
   69    H    CYS  11           H        CYS  11   3.845  -1.340   5.590
   70    HA   CYS  11           HA       CYS  11   4.381  -0.291   2.921
   71   1HB   CYS  11          1HB       CYS  11   2.791   1.306   4.836
   72   2HB   CYS  11          2HB       CYS  11   2.570   1.046   3.117
   73    H    ALA  12           H        ALA  12   6.610  -0.690   4.651
   74    HA   ALA  12           HA       ALA  12   7.123   1.962   5.774
   75   1HB   ALA  12          1HB       ALA  12   9.210  -0.037   6.152
   76   2HB   ALA  12          2HB       ALA  12   7.623  -0.658   6.665
   77   3HB   ALA  12          3HB       ALA  12   8.259   0.849   7.367
   78    H    VAL  13           H        VAL  13   6.938   1.675   2.906
   79    HA   VAL  13           HA       VAL  13   9.692   1.555   2.002
   80    HB   VAL  13           HB       VAL  13   7.610   2.371   0.109
   81   1HG1  VAL  13          1HG1      VAL  13  10.032   0.757   0.221
   82   2HG1  VAL  13          2HG1      VAL  13   8.727  -0.074  -0.659
   83   3HG1  VAL  13          3HG1      VAL  13   9.251   1.549  -1.169
   84   1HG2  VAL  13          1HG2      VAL  13   7.254  -0.101   1.790
   85   2HG2  VAL  13          2HG2      VAL  13   6.041   1.076   1.231
   86   3HG2  VAL  13          3HG2      VAL  13   6.740  -0.093   0.086
   87    HA   PRO  14           HA       PRO  14  10.217   5.843   2.033
   88   1HB   PRO  14          1HB       PRO  14  12.100   6.190   0.083
   89   2HB   PRO  14          2HB       PRO  14  12.488   5.646   1.703
   90   1HG   PRO  14          1HG       PRO  14  12.370   4.077  -0.799
   91   2HG   PRO  14          2HG       PRO  14  13.150   3.669   0.717
   92   1HD   PRO  14          1HD       PRO  14  10.664   2.631  -0.268
   93   2HD   PRO  14          2HD       PRO  14  11.386   2.314   1.296
   94    H    ALA  15           H        ALA  15  10.157   4.778  -1.342
   95    HA   ALA  15           HA       ALA  15   7.812   5.721  -2.127
   96   1HB   ALA  15          1HB       ALA  15   9.572   7.995  -1.411
   97   2HB   ALA  15          2HB       ALA  15   7.799   7.918  -1.545
   98   3HB   ALA  15          3HB       ALA  15   8.795   8.125  -3.006
   99    H    LYS  16           H        LYS  16  11.276   5.430  -2.621
  100    HA   LYS  16           HA       LYS  16  10.934   5.407  -5.512
  101   1HB   LYS  16          1HB       LYS  16  13.356   5.386  -5.603
  102   2HB   LYS  16          2HB       LYS  16  12.805   6.681  -4.559
  103   1HG   LYS  16          1HG       LYS  16  14.355   5.809  -3.103
  104   2HG   LYS  16          2HG       LYS  16  13.052   4.711  -2.693
  105   1HD   LYS  16          1HD       LYS  16  14.706   3.151  -3.153
  106   2HD   LYS  16          2HD       LYS  16  14.023   3.304  -4.759
  107   1HE   LYS  16          1HE       LYS  16  15.768   5.174  -5.172
  108   2HE   LYS  16          2HE       LYS  16  16.531   4.660  -3.681
  109   1HZ   LYS  16          1HZ       LYS  16  16.271   2.346  -4.889
  110   2HZ   LYS  16          2HZ       LYS  16  16.387   3.297  -6.211
  111   3HZ   LYS  16          3HZ       LYS  16  17.579   3.300  -5.095
  112    H    ASP  17           H        ASP  17  10.267   3.326  -3.068
  113    HA   ASP  17           HA       ASP  17  11.227   1.059  -4.633
  114   1HB   ASP  17          1HB       ASP  17  11.369   1.658  -1.775
  115   2HB   ASP  17          2HB       ASP  17  10.469   0.177  -2.029
  116    H    ARG  18           H        ARG  18   8.638   2.911  -4.419
  117    HA   ARG  18           HA       ARG  18   6.658   1.142  -3.470
  118   1HB   ARG  18          1HB       ARG  18   6.231   3.532  -5.322
  119   2HB   ARG  18          2HB       ARG  18   5.079   2.849  -4.193
  120   1HG   ARG  18          1HG       ARG  18   7.705   4.208  -3.423
  121   2HG   ARG  18          2HG       ARG  18   6.118   4.944  -3.314
  122   1HD   ARG  18          1HD       ARG  18   5.449   2.983  -1.772
  123   2HD   ARG  18          2HD       ARG  18   7.145   2.541  -1.736
  124    HE   ARG  18           HE       ARG  18   7.480   4.265  -0.210
  125   1HH1  ARG  18          1HH1      ARG  18   4.678   5.065  -2.183
  126   2HH1  ARG  18          2HH1      ARG  18   4.336   6.532  -1.329
  127   1HH2  ARG  18          1HH2      ARG  18   7.029   6.202   0.917
  128   2HH2  ARG  18          2HH2      ARG  18   5.682   7.184   0.446
  129    H    VAL  19           H        VAL  19   6.024  -0.686  -4.573
  130    HA   VAL  19           HA       VAL  19   6.656  -1.012  -7.327
  131    HB   VAL  19           HB       VAL  19   4.899  -2.677  -5.515
  132   1HG1  VAL  19          1HG1      VAL  19   4.742  -3.116  -7.984
  133   2HG1  VAL  19          2HG1      VAL  19   6.476  -3.518  -7.966
  134   3HG1  VAL  19          3HG1      VAL  19   5.326  -4.496  -7.024
  135   1HG2  VAL  19          1HG2      VAL  19   7.308  -2.145  -4.726
  136   2HG2  VAL  19          2HG2      VAL  19   6.780  -3.845  -4.761
  137   3HG2  VAL  19          3HG2      VAL  19   7.819  -3.209  -6.059
  138    H    ASP  20           H        ASP  20   4.138   0.578  -5.619
  139    HA   ASP  20           HA       ASP  20   2.271   1.494  -6.228
  140   1HB   ASP  20          1HB       ASP  20   3.313   2.530  -8.100
  141   2HB   ASP  20          2HB       ASP  20   3.509   1.010  -8.952
  142    H    CYS  21           H        CYS  21   0.382   0.351  -5.778
  143    HA   CYS  21           HA       CYS  21   0.042  -2.277  -6.852
  144   1HB   CYS  21          1HB       CYS  21  -0.783  -0.954  -4.554
  145   2HB   CYS  21          2HB       CYS  21  -2.263  -1.132  -5.476
  146    H    GLY  22           H        GLY  22  -0.472   0.892  -7.956
  147   1HA   GLY  22          1HA       GLY  22  -1.731   0.205 -10.311
  148   2HA   GLY  22          2HA       GLY  22  -1.695   1.808  -9.604
  149    H    TYR  23           H        TYR  23  -3.410   2.444  -8.060
  150    HA   TYR  23           HA       TYR  23  -5.921   1.195  -8.806
  151   1HB   TYR  23          1HB       TYR  23  -4.592   0.390  -6.513
  152   2HB   TYR  23          2HB       TYR  23  -5.409   1.806  -5.882
  153    HD1  TYR  23           HD1      TYR  23  -6.470  -0.899  -8.267
  154    HD2  TYR  23           HD2      TYR  23  -7.233   1.171  -4.602
  155    HE1  TYR  23           HE1      TYR  23  -8.588  -2.265  -7.928
  156    HE2  TYR  23           HE2      TYR  23  -9.348  -0.201  -4.275
  157    HH   TYR  23           HH       TYR  23 -10.861  -1.757  -6.594
  158    HA   PRO  24           HA       PRO  24  -7.113   5.352  -8.576
  159   1HB   PRO  24          1HB       PRO  24  -9.830   5.087  -8.696
  160   2HB   PRO  24          2HB       PRO  24  -8.798   5.023 -10.110
  161   1HG   PRO  24          1HG       PRO  24 -10.158   2.805  -8.706
  162   2HG   PRO  24          2HG       PRO  24  -9.489   2.833 -10.326
  163   1HD   PRO  24          1HD       PRO  24  -8.324   1.607  -8.009
  164   2HD   PRO  24          2HD       PRO  24  -7.603   1.736  -9.601
  165    H    HIS  25           H        HIS  25  -9.796   3.897  -6.844
  166    HA   HIS  25           HA       HIS  25  -9.660   5.883  -4.868
  167   1HB   HIS  25          1HB       HIS  25 -11.652   5.070  -4.255
  168   2HB   HIS  25          2HB       HIS  25 -11.539   4.111  -5.717
  169    HD1  HIS  25           HD1      HIS  25 -12.117   3.765  -2.177
  170    HD2  HIS  25           HD2      HIS  25 -10.244   1.431  -5.117
  171    HE1  HIS  25           HE1      HIS  25 -11.993   1.396  -1.238
  172    HE2  HIS  25           HE2      HIS  25 -10.883  -0.003  -3.110
  173    H    VAL  26           H        VAL  26  -7.698   6.033  -3.791
  174    HA   VAL  26           HA       VAL  26  -6.981   3.648  -2.236
  175    HB   VAL  26           HB       VAL  26  -4.614   4.398  -2.474
  176   1HG1  VAL  26          1HG1      VAL  26  -6.217   3.488  -4.868
  177   2HG1  VAL  26          2HG1      VAL  26  -4.445   3.645  -4.935
  178   3HG1  VAL  26          3HG1      VAL  26  -5.196   2.528  -3.770
  179   1HG2  VAL  26          1HG2      VAL  26  -5.835   6.658  -3.710
  180   2HG2  VAL  26          2HG2      VAL  26  -4.106   6.353  -3.415
  181   3HG2  VAL  26          3HG2      VAL  26  -4.854   5.829  -4.943
  182    H    THR  27           H        THR  27  -7.021   3.996  -0.074
  183    HA   THR  27           HA       THR  27  -6.486   6.704   0.889
  184    HB   THR  27           HB       THR  27  -8.587   6.953   1.879
  185    HG1  THR  27           HG1      THR  27  -9.596   5.099   2.784
  186   1HG2  THR  27          1HG2      THR  27  -9.241   4.848  -0.250
  187   2HG2  THR  27          2HG2      THR  27 -10.407   5.965   0.499
  188   3HG2  THR  27          3HG2      THR  27  -9.117   6.598  -0.553
  189    HA   PRO  28           HA       PRO  28  -4.523   4.701   4.143
  190   1HB   PRO  28          1HB       PRO  28  -5.186   6.099   6.395
  191   2HB   PRO  28          2HB       PRO  28  -4.002   6.661   5.232
  192   1HG   PRO  28          1HG       PRO  28  -6.771   7.604   5.659
  193   2HG   PRO  28          2HG       PRO  28  -5.455   8.405   4.825
  194   1HD   PRO  28          1HD       PRO  28  -7.682   7.059   3.621
  195   2HD   PRO  28          2HD       PRO  28  -6.307   7.760   2.790
  196    H    LYS  29           H        LYS  29  -6.866   3.372   3.344
  197    HA   LYS  29           HA       LYS  29  -7.079   1.573   5.452
  198   1HB   LYS  29          1HB       LYS  29  -8.360   3.676   6.343
  199   2HB   LYS  29          2HB       LYS  29  -9.632   3.154   5.257
  200   1HG   LYS  29          1HG       LYS  29  -8.489   0.939   6.865
  201   2HG   LYS  29          2HG       LYS  29  -9.218   2.197   7.843
  202   1HD   LYS  29          1HD       LYS  29 -11.173   1.976   5.980
  203   2HD   LYS  29          2HD       LYS  29 -10.506   0.362   5.836
  204   1HE   LYS  29          1HE       LYS  29 -11.844  -0.162   7.611
  205   2HE   LYS  29          2HE       LYS  29 -10.636   0.646   8.591
  206   1HZ   LYS  29          1HZ       LYS  29 -11.909   2.722   8.152
  207   2HZ   LYS  29          2HZ       LYS  29 -13.097   1.809   7.502
  208   3HZ   LYS  29          3HZ       LYS  29 -12.690   1.622   9.073
  209    H    GLU  30           H        GLU  30  -8.861   3.171   2.739
  210    HA   GLU  30           HA       GLU  30 -10.102   0.773   1.964
  211   1HB   GLU  30          1HB       GLU  30 -10.037   3.568   1.107
  212   2HB   GLU  30          2HB       GLU  30 -10.011   2.498  -0.281
  213   1HG   GLU  30          1HG       GLU  30 -12.331   2.853   0.201
  214   2HG   GLU  30          2HG       GLU  30 -11.979   1.237   0.783
  215    H    CYS  31           H        CYS  31  -7.096   2.501   1.024
  216    HA   CYS  31           HA       CYS  31  -6.554   0.819  -1.179
  217   1HB   CYS  31          1HB       CYS  31  -5.494   2.842  -1.356
  218   2HB   CYS  31          2HB       CYS  31  -5.078   2.914   0.345
  219    H    ASN  32           H        ASN  32  -6.101   0.694   2.328
  220    HA   ASN  32           HA       ASN  32  -4.229  -1.485   2.065
  221   1HB   ASN  32          1HB       ASN  32  -3.544  -0.881   4.172
  222   2HB   ASN  32          2HB       ASN  32  -4.515   0.559   3.941
  223   2HD2  ASN  32          2HD2      ASN  32  -3.959  -2.095   5.852
  224   1HD2  ASN  32          1HD2      ASN  32  -5.424  -2.145   6.774
  225    H    ASN  33           H        ASN  33  -7.484  -1.131   1.742
  226    HA   ASN  33           HA       ASN  33  -8.186  -3.372   3.439
  227   1HB   ASN  33          1HB       ASN  33  -9.693  -1.423   3.558
  228   2HB   ASN  33          2HB       ASN  33  -9.871  -1.398   1.814
  229   2HD2  ASN  33          2HD2      ASN  33 -10.971  -2.656   4.770
  230   1HD2  ASN  33          1HD2      ASN  33 -12.163  -3.769   4.187
  231    H    ARG  34           H        ARG  34  -8.113  -2.167   0.038
  232    HA   ARG  34           HA       ARG  34  -9.423  -4.272  -1.135
  233   1HB   ARG  34          1HB       ARG  34  -8.561  -1.984  -2.115
  234   2HB   ARG  34          2HB       ARG  34  -7.076  -2.850  -2.454
  235   1HG   ARG  34          1HG       ARG  34  -9.827  -3.782  -3.398
  236   2HG   ARG  34          2HG       ARG  34  -8.743  -2.813  -4.376
  237   1HD   ARG  34          1HD       ARG  34  -7.064  -4.871  -3.546
  238   2HD   ARG  34          2HD       ARG  34  -8.598  -5.704  -3.701
  239    HE   ARG  34           HE       ARG  34  -8.132  -3.998  -5.995
  240   1HH1  ARG  34          1HH1      ARG  34  -7.193  -7.078  -4.575
  241   2HH1  ARG  34          2HH1      ARG  34  -6.784  -7.800  -6.095
  242   1HH2  ARG  34          1HH2      ARG  34  -7.593  -4.950  -8.001
  243   2HH2  ARG  34          2HH2      ARG  34  -7.013  -6.581  -8.057
  244    H    GLY  35           H        GLY  35  -6.142  -3.970   0.154
  245   1HA   GLY  35          1HA       GLY  35  -5.526  -6.685  -0.853
  246   2HA   GLY  35          2HA       GLY  35  -5.126  -6.114   0.755
  247    H    CYS  36           H        CYS  36  -3.721  -4.032   0.843
  248    HA   CYS  36           HA       CYS  36  -1.351  -4.536  -0.481
  249   1HB   CYS  36          1HB       CYS  36  -3.121  -3.309  -2.231
  250   2HB   CYS  36          2HB       CYS  36  -2.152  -1.976  -1.636
  251    H    CYS  37           H        CYS  37  -0.565  -1.640  -0.640
  252    HA   CYS  37           HA       CYS  37  -0.950  -0.928   2.176
  253   1HB   CYS  37          1HB       CYS  37   1.567  -1.154   0.583
  254   2HB   CYS  37          2HB       CYS  37   1.452   0.126   1.774
  255    H    PHE  38           H        PHE  38  -0.968   1.413   2.574
  256    HA   PHE  38           HA       PHE  38  -1.454   2.941   0.113
  257   1HB   PHE  38          1HB       PHE  38  -3.500   2.590   1.465
  258   2HB   PHE  38          2HB       PHE  38  -2.649   2.997   2.942
  259    HD1  PHE  38           HD1      PHE  38  -3.994   4.390  -0.202
  260    HD2  PHE  38           HD2      PHE  38  -2.427   5.255   3.646
  261    HE1  PHE  38           HE1      PHE  38  -4.721   6.781  -0.443
  262    HE2  PHE  38           HE2      PHE  38  -3.154   7.645   3.405
  263    HZ   PHE  38           HZ       PHE  38  -4.292   8.380   1.363
  264    H    ASP  39           H        ASP  39  -1.288   5.453   0.663
  265    HA   ASP  39           HA       ASP  39   0.385   6.249   2.707
  266   1HB   ASP  39          1HB       ASP  39   2.186   5.055   1.589
  267   2HB   ASP  39          2HB       ASP  39   1.736   5.711   0.028
  268    H    SER  40           H        SER  40   0.650   8.610   2.609
  269    HA   SER  40           HA       SER  40  -0.354   9.851   0.191
  270   1HB   SER  40          1HB       SER  40  -1.865  11.320   1.460
  271   2HB   SER  40          2HB       SER  40  -2.301   9.641   1.707
  272    HG   SER  40           HG       SER  40  -1.011  11.457   3.521
  273    H    ARG  41           H        ARG  41   2.233   9.449   1.953
  274    HA   ARG  41           HA       ARG  41   2.875  11.868   3.079
  275   1HB   ARG  41          1HB       ARG  41   4.097   9.451   2.943
  276   2HB   ARG  41          2HB       ARG  41   5.035  10.268   1.709
  277   1HG   ARG  41          1HG       ARG  41   4.641  11.859   4.197
  278   2HG   ARG  41          2HG       ARG  41   5.560  10.385   4.424
  279   1HD   ARG  41          1HD       ARG  41   6.963  11.129   2.362
  280   2HD   ARG  41          2HD       ARG  41   6.190  12.691   2.534
  281    HE   ARG  41           HE       ARG  41   8.292  11.630   4.214
  282   1HH1  ARG  41          1HH1      ARG  41   5.419  13.660   4.306
  283   2HH1  ARG  41          2HH1      ARG  41   5.954  14.575   5.676
  284   1HH2  ARG  41          1HH2      ARG  41   8.998  12.837   6.021
  285   2HH2  ARG  41          2HH2      ARG  41   8.003  14.104   6.658
  286    H    ILE  42           H        ILE  42   3.210  10.625  -0.285
  287    HA   ILE  42           HA       ILE  42   3.440  13.338  -1.229
  288    HB   ILE  42           HB       ILE  42   5.470  12.251  -2.675
  289   1HG1  ILE  42          1HG1      ILE  42   7.064  11.271  -1.045
  290   2HG1  ILE  42          2HG1      ILE  42   5.795  11.231   0.163
  291   1HG2  ILE  42          1HG2      ILE  42   5.116  14.485  -1.319
  292   2HG2  ILE  42          2HG2      ILE  42   6.154  13.664  -0.128
  293   3HG2  ILE  42          3HG2      ILE  42   6.743  13.934  -1.786
  294   1HD1  ILE  42          1HD1      ILE  42   5.213   9.971  -2.510
  295   2HD1  ILE  42          2HD1      ILE  42   6.299   9.111  -1.391
  296   3HD1  ILE  42          3HD1      ILE  42   4.637   9.508  -0.891
  297    HA   PRO  43           HA       PRO  43   1.037  11.365  -4.247
  298   1HB   PRO  43          1HB       PRO  43   0.671  13.480  -5.938
  299   2HB   PRO  43          2HB       PRO  43  -0.293  13.228  -4.497
  300   1HG   PRO  43          1HG       PRO  43   1.878  15.182  -4.957
  301   2HG   PRO  43          2HG       PRO  43   0.639  15.188  -3.717
  302   1HD   PRO  43          1HD       PRO  43   3.392  14.452  -3.389
  303   2HD   PRO  43          2HD       PRO  43   2.128  14.349  -2.179
  304    H    GLY  44           H        GLY  44   3.915  13.115  -5.126
  305   1HA   GLY  44          1HA       GLY  44   5.569  12.495  -6.537
  306   2HA   GLY  44          2HA       GLY  44   4.280  12.473  -7.723
  307    H    VAL  45           H        VAL  45   4.528  10.265  -4.894
  308    HA   VAL  45           HA       VAL  45   5.326   8.109  -6.695
  309    HB   VAL  45           HB       VAL  45   6.174   7.031  -4.865
  310   1HG1  VAL  45          1HG1      VAL  45   6.391   9.997  -4.530
  311   2HG1  VAL  45          2HG1      VAL  45   7.035   8.953  -3.241
  312   3HG1  VAL  45          3HG1      VAL  45   7.645   8.791  -4.905
  313   1HG2  VAL  45          1HG2      VAL  45   4.082   8.492  -3.249
  314   2HG2  VAL  45          2HG2      VAL  45   4.314   6.740  -3.463
  315   3HG2  VAL  45          3HG2      VAL  45   5.458   7.675  -2.470
  316    HA   PRO  46           HA       PRO  46   1.458   6.188  -6.486
  317   1HB   PRO  46          1HB       PRO  46   1.982   3.530  -6.128
  318   2HB   PRO  46          2HB       PRO  46   2.151   4.341  -7.672
  319   1HG   PRO  46          1HG       PRO  46   4.263   3.461  -5.800
  320   2HG   PRO  46          2HG       PRO  46   4.403   3.874  -7.498
  321   1HD   PRO  46          1HD       PRO  46   5.180   5.500  -5.266
  322   2HD   PRO  46          2HD       PRO  46   5.211   5.957  -6.958
  323    H    TRP  47           H        TRP  47   0.574   7.303  -4.710
  324    HA   TRP  47           HA       TRP  47   0.898   6.966  -2.141
  325   1HB   TRP  47          1HB       TRP  47  -1.572   7.238  -3.777
  326   2HB   TRP  47          2HB       TRP  47  -1.771   6.867  -2.076
  327    HD1  TRP  47           HD1      TRP  47   1.102   9.186  -3.188
  328    HE1  TRP  47           HE1      TRP  47   0.740  11.647  -2.307
  329    HE3  TRP  47           HE3      TRP  47  -3.595   8.415  -1.400
  330    HZ2  TRP  47           HZ2      TRP  47  -1.422  12.965  -0.990
  331    HZ3  TRP  47           HZ3      TRP  47  -4.762  10.341  -0.331
  332    HH2  TRP  47           HH2      TRP  47  -3.750  12.555  -0.112
  333    H    CYS  48           H        CYS  48  -1.160   4.685  -4.101
  334    HA   CYS  48           HA       CYS  48  -1.006   2.781  -1.928
  335   1HB   CYS  48          1HB       CYS  48  -3.117   3.366  -3.285
  336   2HB   CYS  48          2HB       CYS  48  -2.425   2.373  -4.553
  337    H    PHE  49           H        PHE  49   0.750   1.422  -1.875
  338    HA   PHE  49           HA       PHE  49   1.702   0.392  -4.442
  339   1HB   PHE  49          1HB       PHE  49   4.044   0.617  -3.305
  340   2HB   PHE  49          2HB       PHE  49   3.307   2.113  -3.841
  341    HD1  PHE  49           HD1      PHE  49   3.491  -0.051  -0.805
  342    HD2  PHE  49           HD2      PHE  49   3.209   3.886  -2.362
  343    HE1  PHE  49           HE1      PHE  49   3.697   0.882   1.516
  344    HE2  PHE  49           HE2      PHE  49   3.415   4.819  -0.041
  345    HZ   PHE  49           HZ       PHE  49   3.656   3.306   1.870
  346    H    LYS  50           H        LYS  50   3.168  -1.585  -4.096
  347    HA   LYS  50           HA       LYS  50   1.783  -3.400  -2.434
  348   1HB   LYS  50          1HB       LYS  50   4.435  -3.776  -3.854
  349   2HB   LYS  50          2HB       LYS  50   3.363  -5.036  -3.277
  350   1HG   LYS  50          1HG       LYS  50   1.554  -3.859  -4.804
  351   2HG   LYS  50          2HG       LYS  50   2.935  -3.107  -5.579
  352   1HD   LYS  50          1HD       LYS  50   2.680  -5.046  -6.875
  353   2HD   LYS  50          2HD       LYS  50   3.894  -5.562  -5.721
  354   1HE   LYS  50          1HE       LYS  50   2.357  -6.864  -4.475
  355   2HE   LYS  50          2HE       LYS  50   0.967  -5.966  -5.053
  356   1HZ   LYS  50          1HZ       LYS  50   2.617  -7.553  -6.877
  357   2HZ   LYS  50          2HZ       LYS  50   1.378  -8.218  -6.047
  358   3HZ   LYS  50          3HZ       LYS  50   1.094  -7.009  -7.107
  359    HA   PRO  51           HA       PRO  51   4.100  -3.195   1.200
  360   1HB   PRO  51          1HB       PRO  51   4.141  -5.779   2.090
  361   2HB   PRO  51          2HB       PRO  51   2.753  -4.725   2.272
  362   1HG   PRO  51          1HG       PRO  51   3.145  -6.963   0.380
  363   2HG   PRO  51          2HG       PRO  51   1.651  -6.187   0.869
  364   1HD   PRO  51          1HD       PRO  51   3.051  -5.810  -1.606
  365   2HD   PRO  51          2HD       PRO  51   1.622  -4.950  -1.068
  366    H    LEU  52           H        LEU  52   6.152  -2.704   1.629
  367    HA   LEU  52           HA       LEU  52   8.199  -3.236   0.040
  368   1HB   LEU  52          1HB       LEU  52   8.433  -1.782   1.891
  369   2HB   LEU  52          2HB       LEU  52   8.134  -3.066   3.045
  370    HG   LEU  52           HG       LEU  52  10.567  -2.930   1.243
  371   1HD1  LEU  52          1HD1      LEU  52  10.293  -1.061   2.982
  372   2HD1  LEU  52          2HD1      LEU  52  10.558  -2.334   4.198
  373   3HD1  LEU  52          3HD1      LEU  52  11.812  -1.988   2.983
  374   1HD2  LEU  52          1HD2      LEU  52   9.497  -4.967   3.036
  375   2HD2  LEU  52          2HD2      LEU  52  10.785  -5.073   1.811
  376   3HD2  LEU  52          3HD2      LEU  52  11.161  -4.493   3.451
  377    H    GLN  53           H        GLN  53   9.644  -4.872  -0.475
  378    HA   GLN  53           HA       GLN  53   8.722  -7.462  -0.143
  379   1HB   GLN  53          1HB       GLN  53  11.090  -6.123  -1.330
  380   2HB   GLN  53          2HB       GLN  53  11.391  -7.769  -0.811
  381   1HG   GLN  53          1HG       GLN  53  10.470  -8.402  -2.795
  382   2HG   GLN  53          2HG       GLN  53   8.924  -8.018  -2.066
  383   2HE2  GLN  53          2HE2      GLN  53   8.595  -5.476  -1.991
  384   1HE2  GLN  53          1HE2      GLN  53   8.763  -4.682  -3.521
  385    H    GLU  54           H        GLU  54   8.386  -7.613   2.214
  386    HA   GLU  54           HA       GLU  54  10.250  -7.218   4.114
  387   1HB   GLU  54          1HB       GLU  54   8.896  -8.530   5.533
  388   2HB   GLU  54          2HB       GLU  54   7.778  -7.990   4.297
  389   1HG   GLU  54          1HG       GLU  54   8.432 -10.225   3.057
  390   2HG   GLU  54          2HG       GLU  54   9.046 -10.729   4.619
  391    H    ALA  55           H        ALA  55  12.325  -7.931   4.308
  392    HA   ALA  55           HA       ALA  55  12.843 -10.754   3.986
  393   1HB   ALA  55          1HB       ALA  55  13.270 -10.243   1.741
  394   2HB   ALA  55          2HB       ALA  55  14.878 -10.063   2.484
  395   3HB   ALA  55          3HB       ALA  55  13.897  -8.622   2.124
  396    H    GLU  56           H        GLU  56  13.673 -11.111   5.995
  397    HA   GLU  56           HA       GLU  56  15.043 -11.021   7.679
  398   1HB   GLU  56          1HB       GLU  56  16.685 -10.345   5.578
  399   2HB   GLU  56          2HB       GLU  56  16.907  -8.953   6.619
  400   1HG   GLU  56          1HG       GLU  56  16.961 -11.290   8.299
  401   2HG   GLU  56          2HG       GLU  56  17.994 -11.617   6.922
  402    H    CYS  57           H        CYS  57  15.494  -7.624   6.467
  403    HA   CYS  57           HA       CYS  57  13.631  -6.511   8.222
  404   1HB   CYS  57          1HB       CYS  57  16.239  -7.065   9.390
  405   2HB   CYS  57          2HB       CYS  57  15.864  -5.354   9.422
  406    H    THR  58           H        THR  58  17.056  -5.660   7.310
  407    HA   THR  58           HA       THR  58  15.942  -3.642   5.478
  408    HB   THR  58           HB       THR  58  17.864  -2.177   6.272
  409    HG1  THR  58           HG1      THR  58  19.076  -4.081   7.102
  410   1HG2  THR  58          1HG2      THR  58  15.573  -3.043   7.976
  411   2HG2  THR  58          2HG2      THR  58  16.923  -2.308   8.872
  412   3HG2  THR  58          3HG2      THR  58  16.119  -1.399   7.570
  413    H    PHE  59           H        PHE  59  16.412  -4.195   3.451
  414    HA   PHE  59           HA       PHE  59  17.435  -5.209   1.758
  415   1HB   PHE  59          1HB       PHE  59  18.714  -3.094   1.977
  416   2HB   PHE  59          2HB       PHE  59  19.690  -3.767   3.268
  417    HD1  PHE  59           HD1      PHE  59  18.872  -4.399  -0.320
  418    HD2  PHE  59           HD2      PHE  59  21.791  -4.579   2.755
  419    HE1  PHE  59           HE1      PHE  59  20.594  -5.121  -1.997
  420    HE2  PHE  59           HE2      PHE  59  23.513  -5.301   1.077
  421    HZ   PHE  59           HZ       PHE  59  22.894  -5.563  -1.279

  No H/Q in entry =         421
  Start of MODEL   29
    1    H    GLU   1           H        GLU   1   4.088 -10.674  20.590
    2    HA   GLU   1           HA       GLU   1   6.235 -11.798  21.193
    3   1HB   GLU   1          1HB       GLU   1   4.686 -12.469  23.445
    4   2HB   GLU   1          2HB       GLU   1   4.797 -13.971  22.549
    5   1HG   GLU   1          1HG       GLU   1   7.403 -12.986  22.381
    6   2HG   GLU   1          2HG       GLU   1   6.914 -12.475  23.984
    7    H    GLU   2           H        GLU   2   4.746 -11.503  18.936
    8    HA   GLU   2           HA       GLU   2   4.705 -14.205  17.966
    9   1HB   GLU   2          1HB       GLU   2   2.282 -13.052  18.731
   10   2HB   GLU   2          2HB       GLU   2   2.333 -12.726  17.010
   11   1HG   GLU   2          1HG       GLU   2   2.191 -14.961  16.434
   12   2HG   GLU   2          2HG       GLU   2   3.153 -15.489  17.800
   13    H    TYR   3           H        TYR   3   3.318 -11.090  16.720
   14    HA   TYR   3           HA       TYR   3   5.505 -11.037  14.759
   15   1HB   TYR   3          1HB       TYR   3   3.822 -10.652  13.042
   16   2HB   TYR   3          2HB       TYR   3   3.164 -11.958  14.008
   17    HD1  TYR   3           HD1      TYR   3   1.291 -11.545  15.578
   18    HD2  TYR   3           HD2      TYR   3   2.787  -8.461  13.018
   19    HE1  TYR   3           HE1      TYR   3  -0.813 -10.177  15.984
   20    HE2  TYR   3           HE2      TYR   3   0.678  -7.103  13.433
   21    HH   TYR   3           HH       TYR   3  -1.978  -8.119  14.285
   22    H    VAL   4           H        VAL   4   5.404  -8.788  13.536
   23    HA   VAL   4           HA       VAL   4   4.249  -6.581  14.723
   24    HB   VAL   4           HB       VAL   4   5.443  -6.941  16.714
   25   1HG1  VAL   4          1HG1      VAL   4   7.479  -8.040  14.944
   26   2HG1  VAL   4          2HG1      VAL   4   8.180  -6.934  16.150
   27   3HG1  VAL   4          3HG1      VAL   4   7.201  -8.323  16.680
   28   1HG2  VAL   4          1HG2      VAL   4   5.498  -4.615  15.880
   29   2HG2  VAL   4          2HG2      VAL   4   6.922  -5.007  16.874
   30   3HG2  VAL   4          3HG2      VAL   4   7.065  -4.942  15.101
   31    H    GLY   5           H        GLY   5   4.050  -5.606  12.760
   32   1HA   GLY   5          1HA       GLY   5   6.280  -5.690  10.886
   33   2HA   GLY   5          2HA       GLY   5   5.865  -4.114  11.530
   34    H    LEU   6           H        LEU   6   3.260  -6.464  11.294
   35    HA   LEU   6           HA       LEU   6   2.420  -6.359   8.752
   36   1HB   LEU   6          1HB       LEU   6   1.380  -7.155  11.150
   37   2HB   LEU   6          2HB       LEU   6   0.276  -5.869  10.706
   38    HG   LEU   6           HG       LEU   6   0.945  -8.271   8.982
   39   1HD1  LEU   6          1HD1      LEU   6  -1.456  -7.672  10.725
   40   2HD1  LEU   6          2HD1      LEU   6  -1.408  -8.952   9.489
   41   3HD1  LEU   6          3HD1      LEU   6  -0.301  -9.018  10.882
   42   1HD2  LEU   6          1HD2      LEU   6  -0.705  -5.821   8.524
   43   2HD2  LEU   6          2HD2      LEU   6   0.339  -6.728   7.405
   44   3HD2  LEU   6          3HD2      LEU   6  -1.261  -7.370   7.847
   45    H    SER   7           H        SER   7   2.409  -3.697  11.119
   46    HA   SER   7           HA       SER   7   1.215  -2.034   9.043
   47   1HB   SER   7          1HB       SER   7   0.725  -0.441  10.973
   48   2HB   SER   7          2HB       SER   7  -0.168  -1.949  10.997
   49    HG   SER   7           HG       SER   7   2.102  -1.191  12.607
   50    H    ALA   8           H        ALA   8   2.461  -0.387   8.171
   51    HA   ALA   8           HA       ALA   8   4.080   1.153   8.016
   52   1HB   ALA   8          1HB       ALA   8   5.011   1.989   9.904
   53   2HB   ALA   8          2HB       ALA   8   5.657   0.406  10.397
   54   3HB   ALA   8          3HB       ALA   8   3.965   0.828  10.756
   55    H    ASN   9           H        ASN   9   5.836  -1.441   9.840
   56    HA   ASN   9           HA       ASN   9   8.012  -1.586   8.369
   57   1HB   ASN   9          1HB       ASN   9   7.131  -3.097  10.362
   58   2HB   ASN   9          2HB       ASN   9   6.603  -4.187   9.096
   59   2HD2  ASN   9          2HD2      ASN   9   7.956  -5.816   9.060
   60   1HD2  ASN   9          1HD2      ASN   9   9.686  -5.737   8.997
   61    H    GLN  10           H        GLN  10   4.745  -2.668   7.464
   62    HA   GLN  10           HA       GLN  10   5.698  -4.130   5.195
   63   1HB   GLN  10          1HB       GLN  10   3.523  -4.478   6.729
   64   2HB   GLN  10          2HB       GLN  10   2.799  -3.397   5.556
   65   1HG   GLN  10          1HG       GLN  10   2.471  -5.255   4.278
   66   2HG   GLN  10          2HG       GLN  10   4.182  -5.159   3.912
   67   2HE2  GLN  10          2HE2      GLN  10   2.007  -6.281   6.501
   68   1HE2  GLN  10          1HE2      GLN  10   2.823  -7.770   6.845
   69    H    CYS  11           H        CYS  11   3.956  -1.042   5.899
   70    HA   CYS  11           HA       CYS  11   4.328  -0.328   3.087
   71   1HB   CYS  11          1HB       CYS  11   2.598   1.277   4.913
   72   2HB   CYS  11          2HB       CYS  11   2.473   1.021   3.184
   73    H    ALA  12           H        ALA  12   6.634  -0.320   4.649
   74    HA   ALA  12           HA       ALA  12   6.961   2.520   5.341
   75   1HB   ALA  12          1HB       ALA  12   9.047   1.378   6.568
   76   2HB   ALA  12          2HB       ALA  12   7.440   1.455   7.330
   77   3HB   ALA  12          3HB       ALA  12   7.974  -0.041   6.527
   78    H    VAL  13           H        VAL  13   7.000   2.110   2.683
   79    HA   VAL  13           HA       VAL  13   9.721   1.468   1.896
   80    HB   VAL  13           HB       VAL  13   7.778   2.447  -0.093
   81   1HG1  VAL  13          1HG1      VAL  13   9.997   0.534   0.135
   82   2HG1  VAL  13          2HG1      VAL  13   8.630  -0.069  -0.833
   83   3HG1  VAL  13          3HG1      VAL  13   9.421   1.465  -1.269
   84   1HG2  VAL  13          1HG2      VAL  13   7.205   0.044   1.642
   85   2HG2  VAL  13          2HG2      VAL  13   6.109   1.349   1.129
   86   3HG2  VAL  13          3HG2      VAL  13   6.643   0.122  -0.045
   87    HA   PRO  14           HA       PRO  14  10.911   5.616   1.676
   88   1HB   PRO  14          1HB       PRO  14  12.957   5.493  -0.131
   89   2HB   PRO  14          2HB       PRO  14  13.139   5.047   1.554
   90   1HG   PRO  14          1HG       PRO  14  12.950   3.292  -0.817
   91   2HG   PRO  14          2HG       PRO  14  13.546   2.911   0.786
   92   1HD   PRO  14          1HD       PRO  14  11.002   2.177  -0.318
   93   2HD   PRO  14          2HD       PRO  14  11.553   1.898   1.322
   94    H    ALA  15           H        ALA  15   9.112   4.216  -0.586
   95    HA   ALA  15           HA       ALA  15   7.708   5.217  -2.026
   96   1HB   ALA  15          1HB       ALA  15   8.718   7.436  -0.726
   97   2HB   ALA  15          2HB       ALA  15   7.469   7.469  -1.994
   98   3HB   ALA  15          3HB       ALA  15   9.175   7.748  -2.418
   99    H    LYS  16           H        LYS  16  11.213   5.180  -2.273
  100    HA   LYS  16           HA       LYS  16  11.112   5.331  -5.170
  101   1HB   LYS  16          1HB       LYS  16  13.531   5.354  -5.049
  102   2HB   LYS  16          2HB       LYS  16  12.866   6.546  -3.951
  103   1HG   LYS  16          1HG       LYS  16  14.568   5.435  -2.694
  104   2HG   LYS  16          2HG       LYS  16  13.061   4.774  -2.092
  105   1HD   LYS  16          1HD       LYS  16  13.431   2.683  -3.025
  106   2HD   LYS  16          2HD       LYS  16  14.269   3.331  -4.421
  107   1HE   LYS  16          1HE       LYS  16  16.228   2.746  -3.436
  108   2HE   LYS  16          2HE       LYS  16  15.943   3.995  -2.240
  109   1HZ   LYS  16          1HZ       LYS  16  14.430   2.110  -1.260
  110   2HZ   LYS  16          2HZ       LYS  16  15.495   1.151  -2.042
  111   3HZ   LYS  16          3HZ       LYS  16  16.022   2.203  -0.910
  112    H    ASP  17           H        ASP  17  10.115   3.069  -3.118
  113    HA   ASP  17           HA       ASP  17  11.221   0.954  -4.783
  114   1HB   ASP  17          1HB       ASP  17  11.547   1.297  -1.947
  115   2HB   ASP  17          2HB       ASP  17  10.455  -0.056  -2.172
  116    H    ARG  18           H        ARG  18   8.648   2.696  -4.600
  117    HA   ARG  18           HA       ARG  18   6.657   0.935  -3.657
  118   1HB   ARG  18          1HB       ARG  18   6.219   3.273  -5.566
  119   2HB   ARG  18          2HB       ARG  18   5.091   2.631  -4.388
  120   1HG   ARG  18          1HG       ARG  18   7.761   3.727  -3.459
  121   2HG   ARG  18          2HG       ARG  18   6.458   4.835  -3.842
  122   1HD   ARG  18          1HD       ARG  18   5.172   2.912  -2.267
  123   2HD   ARG  18          2HD       ARG  18   6.755   3.015  -1.523
  124    HE   ARG  18           HE       ARG  18   5.475   5.610  -2.116
  125   1HH1  ARG  18          1HH1      ARG  18   6.072   3.097   0.273
  126   2HH1  ARG  18          2HH1      ARG  18   5.730   4.124   1.626
  127   1HH2  ARG  18          1HH2      ARG  18   5.023   6.965  -0.332
  128   2HH2  ARG  18          2HH2      ARG  18   5.129   6.339   1.279
  129    H    VAL  19           H        VAL  19   5.628  -0.710  -4.777
  130    HA   VAL  19           HA       VAL  19   6.429  -1.123  -7.529
  131    HB   VAL  19           HB       VAL  19   4.859  -2.775  -5.542
  132   1HG1  VAL  19          1HG1      VAL  19   5.696  -3.397  -8.390
  133   2HG1  VAL  19          2HG1      VAL  19   5.201  -4.635  -7.211
  134   3HG1  VAL  19          3HG1      VAL  19   4.049  -3.375  -7.714
  135   1HG2  VAL  19          1HG2      VAL  19   7.293  -2.457  -5.076
  136   2HG2  VAL  19          2HG2      VAL  19   6.838  -4.149  -5.390
  137   3HG2  VAL  19          3HG2      VAL  19   7.651  -3.197  -6.655
  138    H    ASP  20           H        ASP  20   4.129   0.726  -5.990
  139    HA   ASP  20           HA       ASP  20   2.095   1.403  -6.442
  140   1HB   ASP  20          1HB       ASP  20   3.178   2.705  -8.116
  141   2HB   ASP  20          2HB       ASP  20   3.481   1.313  -9.136
  142    H    CYS  21           H        CYS  21   0.766  -0.444  -5.860
  143    HA   CYS  21           HA       CYS  21   0.436  -2.649  -7.555
  144   1HB   CYS  21          1HB       CYS  21  -1.827  -2.626  -6.016
  145   2HB   CYS  21          2HB       CYS  21  -0.298  -3.367  -5.590
  146    H    GLY  22           H        GLY  22  -0.664   0.625  -7.669
  147   1HA   GLY  22          1HA       GLY  22  -2.142   0.202 -10.057
  148   2HA   GLY  22          2HA       GLY  22  -1.971   1.698  -9.160
  149    H    TYR  23           H        TYR  23  -3.637   2.419  -7.828
  150    HA   TYR  23           HA       TYR  23  -6.043   0.760  -7.873
  151   1HB   TYR  23          1HB       TYR  23  -4.420   1.887  -5.549
  152   2HB   TYR  23          2HB       TYR  23  -6.162   1.831  -5.369
  153    HD1  TYR  23           HD1      TYR  23  -7.322  -0.465  -5.717
  154    HD2  TYR  23           HD2      TYR  23  -3.114  -0.013  -5.087
  155    HE1  TYR  23           HE1      TYR  23  -7.162  -2.897  -4.996
  156    HE2  TYR  23           HE2      TYR  23  -2.968  -2.447  -4.368
  157    HH   TYR  23           HH       TYR  23  -4.021  -4.351  -4.245
  158    HA   PRO  24           HA       PRO  24  -7.833   4.606  -8.742
  159   1HB   PRO  24          1HB       PRO  24 -10.471   4.021  -8.334
  160   2HB   PRO  24          2HB       PRO  24  -9.615   3.610  -9.807
  161   1HG   PRO  24          1HG       PRO  24 -10.439   1.840  -7.588
  162   2HG   PRO  24          2HG       PRO  24  -9.979   1.409  -9.223
  163   1HD   PRO  24          1HD       PRO  24  -8.373   1.145  -6.861
  164   2HD   PRO  24          2HD       PRO  24  -7.873   0.823  -8.510
  165    H    HIS  25           H        HIS  25 -10.145   3.615  -6.319
  166    HA   HIS  25           HA       HIS  25  -9.698   6.118  -4.995
  167   1HB   HIS  25          1HB       HIS  25 -11.634   5.595  -3.722
  168   2HB   HIS  25          2HB       HIS  25 -11.956   5.128  -5.381
  169    HD1  HIS  25           HD1      HIS  25 -13.605   3.877  -3.108
  170    HD2  HIS  25           HD2      HIS  25 -10.103   2.164  -4.656
  171    HE1  HIS  25           HE1      HIS  25 -13.727   1.386  -2.566
  172    HE2  HIS  25           HE2      HIS  25 -11.574   0.379  -3.589
  173    H    VAL  26           H        VAL  26  -7.465   5.838  -4.321
  174    HA   VAL  26           HA       VAL  26  -6.986   3.711  -2.402
  175    HB   VAL  26           HB       VAL  26  -4.664   4.607  -2.478
  176   1HG1  VAL  26          1HG1      VAL  26  -6.000   3.794  -5.075
  177   2HG1  VAL  26          2HG1      VAL  26  -4.236   3.891  -4.861
  178   3HG1  VAL  26          3HG1      VAL  26  -5.189   2.747  -3.885
  179   1HG2  VAL  26          1HG2      VAL  26  -5.543   6.952  -3.203
  180   2HG2  VAL  26          2HG2      VAL  26  -3.999   6.358  -3.861
  181   3HG2  VAL  26          3HG2      VAL  26  -5.478   6.278  -4.849
  182    H    THR  27           H        THR  27  -6.739   4.012  -0.198
  183    HA   THR  27           HA       THR  27  -6.597   6.709   0.844
  184    HB   THR  27           HB       THR  27  -8.719   6.714   1.893
  185    HG1  THR  27           HG1      THR  27  -9.842   4.527   2.006
  186   1HG2  THR  27          1HG2      THR  27  -9.120   5.007  -0.620
  187   2HG2  THR  27          2HG2      THR  27 -10.433   5.801   0.283
  188   3HG2  THR  27          3HG2      THR  27  -9.198   6.784  -0.540
  189    HA   PRO  28           HA       PRO  28  -4.572   4.742   4.080
  190   1HB   PRO  28          1HB       PRO  28  -5.331   6.080   6.338
  191   2HB   PRO  28          2HB       PRO  28  -4.155   6.709   5.201
  192   1HG   PRO  28          1HG       PRO  28  -6.970   7.521   5.597
  193   2HG   PRO  28          2HG       PRO  28  -5.679   8.392   4.793
  194   1HD   PRO  28          1HD       PRO  28  -7.826   6.962   3.538
  195   2HD   PRO  28          2HD       PRO  28  -6.472   7.734   2.737
  196    H    LYS  29           H        LYS  29  -6.832   3.313   3.230
  197    HA   LYS  29           HA       LYS  29  -6.988   1.458   5.273
  198   1HB   LYS  29          1HB       LYS  29  -8.335   3.521   6.224
  199   2HB   LYS  29          2HB       LYS  29  -9.611   2.913   5.189
  200   1HG   LYS  29          1HG       LYS  29  -8.276   0.772   6.736
  201   2HG   LYS  29          2HG       LYS  29  -9.014   1.988   7.759
  202   1HD   LYS  29          1HD       LYS  29 -10.777   1.263   5.520
  203   2HD   LYS  29          2HD       LYS  29 -10.331  -0.146   6.461
  204   1HE   LYS  29          1HE       LYS  29 -11.986   0.478   7.899
  205   2HE   LYS  29          2HE       LYS  29 -10.877   1.715   8.456
  206   1HZ   LYS  29          1HZ       LYS  29 -12.542   2.215   6.115
  207   2HZ   LYS  29          2HZ       LYS  29 -13.170   2.390   7.612
  208   3HZ   LYS  29          3HZ       LYS  29 -11.886   3.290   7.155
  209    H    GLU  30           H        GLU  30  -8.849   3.104   2.645
  210    HA   GLU  30           HA       GLU  30 -10.072   0.728   1.807
  211   1HB   GLU  30          1HB       GLU  30 -10.969   2.997   1.325
  212   2HB   GLU  30          2HB       GLU  30  -9.591   3.334   0.296
  213   1HG   GLU  30          1HG       GLU  30 -10.637   2.348  -1.454
  214   2HG   GLU  30          2HG       GLU  30 -10.691   0.830  -0.581
  215    H    CYS  31           H        CYS  31  -7.129   2.542   0.770
  216    HA   CYS  31           HA       CYS  31  -6.571   0.920  -1.434
  217   1HB   CYS  31          1HB       CYS  31  -5.420   2.871  -1.557
  218   2HB   CYS  31          2HB       CYS  31  -5.124   2.952   0.168
  219    H    ASN  32           H        ASN  32  -5.996   0.674   2.075
  220    HA   ASN  32           HA       ASN  32  -4.223  -1.555   1.691
  221   1HB   ASN  32          1HB       ASN  32  -3.612  -0.111   3.523
  222   2HB   ASN  32          2HB       ASN  32  -5.260  -0.024   4.115
  223   2HD2  ASN  32          2HD2      ASN  32  -5.295  -0.917   6.035
  224   1HD2  ASN  32          1HD2      ASN  32  -4.656  -2.464   6.480
  225    H    ASN  33           H        ASN  33  -7.522  -1.035   1.563
  226    HA   ASN  33           HA       ASN  33  -8.240  -3.369   3.100
  227   1HB   ASN  33          1HB       ASN  33  -9.699  -1.391   3.315
  228   2HB   ASN  33          2HB       ASN  33  -9.892  -1.289   1.577
  229   2HD2  ASN  33          2HD2      ASN  33 -10.983  -2.998   0.460
  230   1HD2  ASN  33          1HD2      ASN  33 -12.211  -3.933   1.245
  231    H    ARG  34           H        ARG  34  -8.117  -2.037  -0.246
  232    HA   ARG  34           HA       ARG  34  -9.490  -4.098  -1.474
  233   1HB   ARG  34          1HB       ARG  34  -8.495  -1.707  -2.303
  234   2HB   ARG  34          2HB       ARG  34  -7.235  -2.743  -2.944
  235   1HG   ARG  34          1HG       ARG  34 -10.226  -3.037  -3.499
  236   2HG   ARG  34          2HG       ARG  34  -9.046  -2.373  -4.612
  237   1HD   ARG  34          1HD       ARG  34  -7.800  -4.697  -4.239
  238   2HD   ARG  34          2HD       ARG  34  -9.373  -5.242  -3.693
  239    HE   ARG  34           HE       ARG  34  -9.945  -3.958  -6.083
  240   1HH1  ARG  34          1HH1      ARG  34  -7.723  -6.524  -5.158
  241   2HH1  ARG  34          2HH1      ARG  34  -7.761  -7.292  -6.710
  242   1HH2  ARG  34          1HH2      ARG  34  -9.996  -4.970  -8.131
  243   2HH2  ARG  34          2HH2      ARG  34  -9.063  -6.402  -8.413
  244    H    GLY  35           H        GLY  35  -6.257  -3.875  -0.136
  245   1HA   GLY  35          1HA       GLY  35  -5.575  -6.478  -1.367
  246   2HA   GLY  35          2HA       GLY  35  -5.195  -6.025   0.282
  247    H    CYS  36           H        CYS  36  -3.767  -4.022   0.584
  248    HA   CYS  36           HA       CYS  36  -1.395  -4.359  -0.730
  249   1HB   CYS  36          1HB       CYS  36  -3.119  -3.132  -2.497
  250   2HB   CYS  36          2HB       CYS  36  -2.266  -1.770  -1.797
  251    H    CYS  37           H        CYS  37  -0.605  -1.486  -0.730
  252    HA   CYS  37           HA       CYS  37  -1.141  -0.851   2.079
  253   1HB   CYS  37          1HB       CYS  37   1.464  -1.112   0.649
  254   2HB   CYS  37          2HB       CYS  37   1.308   0.168   1.835
  255    H    PHE  38           H        PHE  38  -1.237   1.454   2.532
  256    HA   PHE  38           HA       PHE  38  -1.530   3.058   0.091
  257   1HB   PHE  38          1HB       PHE  38  -3.630   2.716   1.370
  258   2HB   PHE  38          2HB       PHE  38  -2.824   3.098   2.878
  259    HD1  PHE  38           HD1      PHE  38  -4.138   4.514  -0.254
  260    HD2  PHE  38           HD2      PHE  38  -2.490   5.370   3.562
  261    HE1  PHE  38           HE1      PHE  38  -4.817   6.917  -0.500
  262    HE2  PHE  38           HE2      PHE  38  -3.169   7.774   3.316
  263    HZ   PHE  38           HZ       PHE  38  -4.325   8.519   1.288
  264    H    ASP  39           H        ASP  39  -1.327   5.553   0.695
  265    HA   ASP  39           HA       ASP  39   0.290   6.267   2.816
  266   1HB   ASP  39          1HB       ASP  39   2.110   5.074   1.748
  267   2HB   ASP  39          2HB       ASP  39   1.713   5.740   0.176
  268    H    SER  40           H        SER  40   0.438   8.603   2.857
  269    HA   SER  40           HA       SER  40  -0.449   9.920   0.419
  270   1HB   SER  40          1HB       SER  40  -1.906  11.410   1.728
  271   2HB   SER  40          2HB       SER  40  -2.387   9.739   1.949
  272    HG   SER  40           HG       SER  40  -0.674  11.199   3.775
  273    H    ARG  41           H        ARG  41   2.148   9.423   2.133
  274    HA   ARG  41           HA       ARG  41   2.864  11.808   3.294
  275   1HB   ARG  41          1HB       ARG  41   4.020   9.366   3.121
  276   2HB   ARG  41          2HB       ARG  41   4.960  10.162   1.875
  277   1HG   ARG  41          1HG       ARG  41   5.349  12.056   3.628
  278   2HG   ARG  41          2HG       ARG  41   4.740  10.919   4.814
  279   1HD   ARG  41          1HD       ARG  41   6.535   9.283   3.629
  280   2HD   ARG  41          2HD       ARG  41   7.290  10.807   3.209
  281    HE   ARG  41           HE       ARG  41   7.204   9.607   5.841
  282   1HH1  ARG  41          1HH1      ARG  41   7.182  12.720   4.202
  283   2HH1  ARG  41          2HH1      ARG  41   7.860  13.577   5.546
  284   1HH2  ARG  41          1HH2      ARG  41   8.098  10.736   7.615
  285   2HH2  ARG  41          2HH2      ARG  41   8.384  12.441   7.501
  286    H    ILE  42           H        ILE  42   3.445  10.529  -0.055
  287    HA   ILE  42           HA       ILE  42   3.667  13.285  -0.968
  288    HB   ILE  42           HB       ILE  42   5.604  12.056  -2.459
  289   1HG1  ILE  42          1HG1      ILE  42   7.165  11.029  -0.822
  290   2HG1  ILE  42          2HG1      ILE  42   5.908  11.083   0.398
  291   1HG2  ILE  42          1HG2      ILE  42   5.816  13.790   0.012
  292   2HG2  ILE  42          2HG2      ILE  42   7.188  13.417  -1.060
  293   3HG2  ILE  42          3HG2      ILE  42   5.779  14.303  -1.692
  294   1HD1  ILE  42          1HD1      ILE  42   4.986   9.860  -2.131
  295   2HD1  ILE  42          2HD1      ILE  42   6.340   8.985  -1.375
  296   3HD1  ILE  42          3HD1      ILE  42   4.838   9.263  -0.460
  297    HA   PRO  43           HA       PRO  43   1.099  11.524  -3.982
  298   1HB   PRO  43          1HB       PRO  43   0.820  13.700  -5.611
  299   2HB   PRO  43          2HB       PRO  43  -0.131  13.463  -4.158
  300   1HG   PRO  43          1HG       PRO  43   2.136  15.307  -4.609
  301   2HG   PRO  43          2HG       PRO  43   0.922  15.348  -3.346
  302   1HD   PRO  43          1HD       PRO  43   3.635  14.454  -3.090
  303   2HD   PRO  43          2HD       PRO  43   2.389  14.387  -1.860
  304    H    GLY  44           H        GLY  44   3.976  13.254  -4.974
  305   1HA   GLY  44          1HA       GLY  44   5.591  12.559  -6.408
  306   2HA   GLY  44          2HA       GLY  44   4.269  12.613  -7.557
  307    H    VAL  45           H        VAL  45   4.817  10.356  -4.772
  308    HA   VAL  45           HA       VAL  45   5.388   8.210  -6.635
  309    HB   VAL  45           HB       VAL  45   6.319   7.131  -4.878
  310   1HG1  VAL  45          1HG1      VAL  45   7.231   9.515  -5.050
  311   2HG1  VAL  45          2HG1      VAL  45   6.306   9.858  -3.568
  312   3HG1  VAL  45          3HG1      VAL  45   7.586   8.622  -3.551
  313   1HG2  VAL  45          1HG2      VAL  45   4.155   8.367  -3.165
  314   2HG2  VAL  45          2HG2      VAL  45   4.433   6.651  -3.547
  315   3HG2  VAL  45          3HG2      VAL  45   5.548   7.512  -2.460
  316    HA   PRO  46           HA       PRO  46   1.480   6.373  -6.396
  317   1HB   PRO  46          1HB       PRO  46   1.946   3.698  -6.088
  318   2HB   PRO  46          2HB       PRO  46   2.112   4.529  -7.621
  319   1HG   PRO  46          1HG       PRO  46   4.229   3.570  -5.794
  320   2HG   PRO  46          2HG       PRO  46   4.354   4.006  -7.487
  321   1HD   PRO  46          1HD       PRO  46   5.201   5.578  -5.242
  322   2HD   PRO  46          2HD       PRO  46   5.220   6.061  -6.927
  323    H    TRP  47           H        TRP  47   0.569   7.433  -4.627
  324    HA   TRP  47           HA       TRP  47   0.935   7.085  -2.056
  325   1HB   TRP  47          1HB       TRP  47  -1.540   7.390  -3.672
  326   2HB   TRP  47          2HB       TRP  47  -1.742   6.976  -1.981
  327    HD1  TRP  47           HD1      TRP  47   1.156   9.303  -2.984
  328    HE1  TRP  47           HE1      TRP  47   0.789  11.747  -2.059
  329    HE3  TRP  47           HE3      TRP  47  -3.591   8.530  -1.334
  330    HZ2  TRP  47           HZ2      TRP  47  -1.397  13.054  -0.770
  331    HZ3  TRP  47           HZ3      TRP  47  -4.771  10.442  -0.253
  332    HH2  TRP  47           HH2      TRP  47  -3.749  12.643   0.040
  333    H    CYS  48           H        CYS  48  -1.011   4.782  -4.092
  334    HA   CYS  48           HA       CYS  48  -0.930   2.880  -1.908
  335   1HB   CYS  48          1HB       CYS  48  -3.001   3.438  -3.332
  336   2HB   CYS  48          2HB       CYS  48  -2.252   2.467  -4.583
  337    H    PHE  49           H        PHE  49   0.540   1.196  -1.872
  338    HA   PHE  49           HA       PHE  49   1.684   0.303  -4.378
  339   1HB   PHE  49          1HB       PHE  49   4.000   0.519  -3.185
  340   2HB   PHE  49          2HB       PHE  49   3.286   2.016  -3.751
  341    HD1  PHE  49           HD1      PHE  49   3.459  -0.122  -0.701
  342    HD2  PHE  49           HD2      PHE  49   3.083   3.797  -2.282
  343    HE1  PHE  49           HE1      PHE  49   3.613   0.828   1.617
  344    HE2  PHE  49           HE2      PHE  49   3.238   4.747   0.036
  345    HZ   PHE  49           HZ       PHE  49   3.500   3.251   1.958
  346    H    LYS  50           H        LYS  50   3.081  -1.699  -4.020
  347    HA   LYS  50           HA       LYS  50   1.662  -3.485  -2.363
  348   1HB   LYS  50          1HB       LYS  50   4.348  -3.948  -3.680
  349   2HB   LYS  50          2HB       LYS  50   3.165  -5.151  -3.208
  350   1HG   LYS  50          1HG       LYS  50   1.521  -4.005  -4.824
  351   2HG   LYS  50          2HG       LYS  50   2.874  -3.053  -5.403
  352   1HD   LYS  50          1HD       LYS  50   2.939  -4.835  -6.911
  353   2HD   LYS  50          2HD       LYS  50   4.060  -5.412  -5.693
  354   1HE   LYS  50          1HE       LYS  50   2.509  -6.954  -4.792
  355   2HE   LYS  50          2HE       LYS  50   1.121  -6.072  -5.396
  356   1HZ   LYS  50          1HZ       LYS  50   2.421  -6.707  -7.641
  357   2HZ   LYS  50          2HZ       LYS  50   2.731  -8.018  -6.717
  358   3HZ   LYS  50          3HZ       LYS  50   1.188  -7.572  -7.010
  359    HA   PRO  51           HA       PRO  51   3.940  -3.335   1.300
  360   1HB   PRO  51          1HB       PRO  51   4.048  -5.935   2.136
  361   2HB   PRO  51          2HB       PRO  51   2.627  -4.927   2.321
  362   1HG   PRO  51          1HG       PRO  51   3.112  -7.111   0.389
  363   2HG   PRO  51          2HG       PRO  51   1.589  -6.393   0.873
  364   1HD   PRO  51          1HD       PRO  51   3.008  -5.920  -1.574
  365   2HD   PRO  51          2HD       PRO  51   1.546  -5.116  -1.038
  366    H    LEU  52           H        LEU  52   5.969  -2.738   1.684
  367    HA   LEU  52           HA       LEU  52   8.041  -3.251   0.112
  368   1HB   LEU  52          1HB       LEU  52   8.220  -1.712   1.896
  369   2HB   LEU  52          2HB       LEU  52   7.951  -2.951   3.106
  370    HG   LEU  52           HG       LEU  52  10.394  -2.819   1.318
  371   1HD1  LEU  52          1HD1      LEU  52   9.733  -1.424   3.829
  372   2HD1  LEU  52          2HD1      LEU  52  11.300  -2.268   3.828
  373   3HD1  LEU  52          3HD1      LEU  52  10.946  -1.048   2.581
  374   1HD2  LEU  52          1HD2      LEU  52   9.378  -4.799   3.214
  375   2HD2  LEU  52          2HD2      LEU  52  10.650  -4.935   1.977
  376   3HD2  LEU  52          3HD2      LEU  52  11.036  -4.265   3.580
  377    H    GLN  53           H        GLN  53   9.311  -4.929  -0.529
  378    HA   GLN  53           HA       GLN  53   8.547  -7.506   0.135
  379   1HB   GLN  53          1HB       GLN  53  10.837  -8.063  -1.004
  380   2HB   GLN  53          2HB       GLN  53   9.582  -7.297  -1.958
  381   1HG   GLN  53          1HG       GLN  53  11.360  -5.397  -0.502
  382   2HG   GLN  53          2HG       GLN  53  12.169  -6.356  -1.727
  383   2HE2  GLN  53          2HE2      GLN  53  11.267  -3.468  -1.449
  384   1HE2  GLN  53          1HE2      GLN  53  10.450  -3.100  -2.931
  385    H    GLU  54           H        GLU  54   8.558  -7.436   2.529
  386    HA   GLU  54           HA       GLU  54  10.683  -6.855   4.081
  387   1HB   GLU  54          1HB       GLU  54   9.584  -8.044   5.805
  388   2HB   GLU  54          2HB       GLU  54   8.284  -7.597   4.718
  389   1HG   GLU  54          1HG       GLU  54   7.805  -9.859   5.017
  390   2HG   GLU  54          2HG       GLU  54   8.805  -9.947   3.581
  391    H    ALA  55           H        ALA  55  12.760  -7.586   4.152
  392    HA   ALA  55           HA       ALA  55  13.326 -10.365   4.141
  393   1HB   ALA  55          1HB       ALA  55  12.975 -10.090   1.727
  394   2HB   ALA  55          2HB       ALA  55  14.698 -10.373   2.071
  395   3HB   ALA  55          3HB       ALA  55  14.123  -8.730   1.698
  396    H    GLU  56           H        GLU  56  13.722  -8.414   6.057
  397    HA   GLU  56           HA       GLU  56  15.205  -7.234   7.170
  398   1HB   GLU  56          1HB       GLU  56  15.816  -9.730   7.462
  399   2HB   GLU  56          2HB       GLU  56  17.169  -9.422   6.391
  400   1HG   GLU  56          1HG       GLU  56  18.326  -8.749   8.227
  401   2HG   GLU  56          2HG       GLU  56  17.331  -7.306   8.221
  402    H    CYS  57           H        CYS  57  14.992  -5.885   4.875
  403    HA   CYS  57           HA       CYS  57  17.768  -5.218   4.263
  404   1HB   CYS  57          1HB       CYS  57  15.771  -6.237   2.409
  405   2HB   CYS  57          2HB       CYS  57  16.356  -4.658   1.924
  406    H    THR  58           H        THR  58  17.974  -3.178   5.132
  407    HA   THR  58           HA       THR  58  16.459  -1.028   4.191
  408    HB   THR  58           HB       THR  58  14.642  -2.041   5.565
  409    HG1  THR  58           HG1      THR  58  14.601   0.221   5.648
  410   1HG2  THR  58          1HG2      THR  58  16.783  -2.561   7.417
  411   2HG2  THR  58          2HG2      THR  58  15.706  -1.366   8.179
  412   3HG2  THR  58          3HG2      THR  58  15.054  -2.929   7.628
  413    H    PHE  59           H        PHE  59  18.624  -0.341   3.849
  414    HA   PHE  59           HA       PHE  59  20.472   0.743   4.364
  415   1HB   PHE  59          1HB       PHE  59  18.520   2.049   5.622
  416   2HB   PHE  59          2HB       PHE  59  19.188   1.341   7.080
  417    HD1  PHE  59           HD1      PHE  59  20.780   2.863   4.059
  418    HD2  PHE  59           HD2      PHE  59  20.309   2.958   8.275
  419    HE1  PHE  59           HE1      PHE  59  22.448   4.734   4.204
  420    HE2  PHE  59           HE2      PHE  59  21.976   4.828   8.420
  421    HZ   PHE  59           HZ       PHE  59  23.026   5.694   6.382

  No H/Q in entry =         421
  Start of MODEL   30
    1    H    GLU   1           H        GLU   1   7.903 -18.849  18.060
    2    HA   GLU   1           HA       GLU   1   6.269 -17.434  17.452
    3   1HB   GLU   1          1HB       GLU   1   7.149 -15.792  19.855
    4   2HB   GLU   1          2HB       GLU   1   6.019 -15.163  18.673
    5   1HG   GLU   1          1HG       GLU   1   4.592 -16.119  20.294
    6   2HG   GLU   1          2HG       GLU   1   4.669 -17.368  19.067
    7    H    GLU   2           H        GLU   2   6.370 -15.771  15.831
    8    HA   GLU   2           HA       GLU   2   9.099 -15.102  15.176
    9   1HB   GLU   2          1HB       GLU   2   7.109 -16.054  13.613
   10   2HB   GLU   2          2HB       GLU   2   6.805 -14.342  13.392
   11   1HG   GLU   2          1HG       GLU   2   8.889 -13.955  12.368
   12   2HG   GLU   2          2HG       GLU   2   9.649 -15.329  13.146
   13    H    TYR   3           H        TYR   3   9.260 -12.791  13.977
   14    HA   TYR   3           HA       TYR   3   7.760 -10.837  15.572
   15   1HB   TYR   3          1HB       TYR   3   9.835  -9.818  16.200
   16   2HB   TYR   3          2HB       TYR   3  10.271 -11.515  16.231
   17    HD1  TYR   3           HD1      TYR   3  10.563  -8.366  14.322
   18    HD2  TYR   3           HD2      TYR   3  11.806 -12.449  14.610
   19    HE1  TYR   3           HE1      TYR   3  12.419  -7.927  12.640
   20    HE2  TYR   3           HE2      TYR   3  13.658 -11.997  12.927
   21    HH   TYR   3           HH       TYR   3  14.865 -10.325  11.990
   22    H    VAL   4           H        VAL   4   7.580  -8.712  14.578
   23    HA   VAL   4           HA       VAL   4   8.488  -8.514  11.831
   24    HB   VAL   4           HB       VAL   4   6.264  -8.003  10.989
   25   1HG1  VAL   4          1HG1      VAL   4   7.091 -10.297  10.786
   26   2HG1  VAL   4          2HG1      VAL   4   6.399 -10.703  12.375
   27   3HG1  VAL   4          3HG1      VAL   4   5.326 -10.281  11.019
   28   1HG2  VAL   4          1HG2      VAL   4   5.578  -7.714  13.697
   29   2HG2  VAL   4          2HG2      VAL   4   4.496  -7.588  12.289
   30   3HG2  VAL   4          3HG2      VAL   4   4.678  -9.143  13.135
   31    H    GLY   5           H        GLY   5   6.135  -6.320  11.874
   32   1HA   GLY   5          1HA       GLY   5   7.572  -4.069  12.088
   33   2HA   GLY   5          2HA       GLY   5   7.233  -4.420  13.771
   34    H    LEU   6           H        LEU   6   4.693  -5.397  13.881
   35    HA   LEU   6           HA       LEU   6   2.722  -4.527  12.301
   36   1HB   LEU   6          1HB       LEU   6   2.931  -5.566  14.830
   37   2HB   LEU   6          2HB       LEU   6   2.191  -4.008  15.141
   38    HG   LEU   6           HG       LEU   6   1.005  -5.642  12.949
   39   1HD1  LEU   6          1HD1      LEU   6   1.522  -7.260  14.811
   40   2HD1  LEU   6          2HD1      LEU   6   0.421  -6.314  15.840
   41   3HD1  LEU   6          3HD1      LEU   6  -0.197  -7.113  14.375
   42   1HD2  LEU   6          1HD2      LEU   6  -0.051  -3.806  15.107
   43   2HD2  LEU   6          2HD2      LEU   6   0.001  -3.533  13.349
   44   3HD2  LEU   6          3HD2      LEU   6  -1.101  -4.755  14.027
   45    H    SER   7           H        SER   7   2.904  -2.620  11.161
   46    HA   SER   7           HA       SER   7   1.973  -0.339  12.235
   47   1HB   SER   7          1HB       SER   7   4.220   1.039  12.213
   48   2HB   SER   7          2HB       SER   7   3.761   0.152  13.652
   49    HG   SER   7           HG       SER   7   5.121  -1.588  12.119
   50    H    ALA   8           H        ALA   8   5.063   0.006  10.501
   51    HA   ALA   8           HA       ALA   8   3.566   0.183   7.977
   52   1HB   ALA   8          1HB       ALA   8   4.459   2.249   7.503
   53   2HB   ALA   8          2HB       ALA   8   5.936   1.951   8.451
   54   3HB   ALA   8          3HB       ALA   8   4.417   2.373   9.278
   55    H    ASN   9           H        ASN   9   5.740  -1.562   9.744
   56    HA   ASN   9           HA       ASN   9   8.017  -1.792   8.379
   57   1HB   ASN   9          1HB       ASN   9   7.675  -3.188  10.314
   58   2HB   ASN   9          2HB       ASN   9   6.230  -3.915   9.640
   59   2HD2  ASN   9          2HD2      ASN   9   9.723  -3.572   9.173
   60   1HD2  ASN   9          1HD2      ASN   9  10.010  -5.117   8.446
   61    H    GLN  10           H        GLN  10   4.749  -2.625   7.337
   62    HA   GLN  10           HA       GLN  10   5.755  -4.198   5.132
   63   1HB   GLN  10          1HB       GLN  10   3.564  -4.571   6.673
   64   2HB   GLN  10          2HB       GLN  10   2.833  -3.575   5.430
   65   1HG   GLN  10          1HG       GLN  10   2.652  -5.447   4.160
   66   2HG   GLN  10          2HG       GLN  10   4.393  -5.402   3.968
   67   2HE2  GLN  10          2HE2      GLN  10   2.316  -6.062   6.781
   68   1HE2  GLN  10          1HE2      GLN  10   2.928  -7.641   7.142
   69    H    CYS  11           H        CYS  11   4.189  -1.070   5.896
   70    HA   CYS  11           HA       CYS  11   4.436  -0.383   3.058
   71   1HB   CYS  11          1HB       CYS  11   2.717   1.259   4.839
   72   2HB   CYS  11          2HB       CYS  11   2.543   0.876   3.138
   73    H    ALA  12           H        ALA  12   6.750  -0.356   4.603
   74    HA   ALA  12           HA       ALA  12   7.057   2.490   5.280
   75   1HB   ALA  12          1HB       ALA  12   9.074   1.507   6.615
   76   2HB   ALA  12          2HB       ALA  12   7.433   1.312   7.277
   77   3HB   ALA  12          3HB       ALA  12   8.223  -0.046   6.441
   78    H    VAL  13           H        VAL  13   7.136   2.175   2.656
   79    HA   VAL  13           HA       VAL  13   9.860   1.487   1.886
   80    HB   VAL  13           HB       VAL  13   7.947   2.449  -0.135
   81   1HG1  VAL  13          1HG1      VAL  13  10.158   0.548   0.143
   82   2HG1  VAL  13          2HG1      VAL  13   8.795  -0.107  -0.796
   83   3HG1  VAL  13          3HG1      VAL  13   9.567   1.418  -1.293
   84   1HG2  VAL  13          1HG2      VAL  13   7.309   0.102   1.646
   85   2HG2  VAL  13          2HG2      VAL  13   6.236   1.387   1.040
   86   3HG2  VAL  13          3HG2      VAL  13   6.808   0.111  -0.062
   87    HA   PRO  14           HA       PRO  14  11.040   5.636   1.637
   88   1HB   PRO  14          1HB       PRO  14  13.067   5.519  -0.193
   89   2HB   PRO  14          2HB       PRO  14  13.267   5.072   1.490
   90   1HG   PRO  14          1HG       PRO  14  13.057   3.319  -0.881
   91   2HG   PRO  14          2HG       PRO  14  13.672   2.937   0.716
   92   1HD   PRO  14          1HD       PRO  14  11.118   2.199  -0.362
   93   2HD   PRO  14          2HD       PRO  14  11.687   1.919   1.272
   94    H    ALA  15           H        ALA  15   9.227   4.228  -0.615
   95    HA   ALA  15           HA       ALA  15   7.806   5.224  -2.041
   96   1HB   ALA  15          1HB       ALA  15   8.831   7.450  -0.746
   97   2HB   ALA  15          2HB       ALA  15   7.543   7.470  -1.974
   98   3HB   ALA  15          3HB       ALA  15   9.232   7.769  -2.450
   99    H    LYS  16           H        LYS  16  11.326   5.326  -2.330
  100    HA   LYS  16           HA       LYS  16  11.187   5.438  -5.220
  101   1HB   LYS  16          1HB       LYS  16  13.613   5.502  -5.118
  102   2HB   LYS  16          2HB       LYS  16  12.924   6.701  -4.041
  103   1HG   LYS  16          1HG       LYS  16  14.440   5.773  -2.564
  104   2HG   LYS  16          2HG       LYS  16  13.103   4.679  -2.263
  105   1HD   LYS  16          1HD       LYS  16  14.503   2.983  -2.831
  106   2HD   LYS  16          2HD       LYS  16  14.362   3.531  -4.489
  107   1HE   LYS  16          1HE       LYS  16  16.333   4.995  -4.224
  108   2HE   LYS  16          2HE       LYS  16  16.433   4.609  -2.517
  109   1HZ   LYS  16          1HZ       LYS  16  16.527   2.200  -3.472
  110   2HZ   LYS  16          2HZ       LYS  16  17.103   2.960  -4.798
  111   3HZ   LYS  16          3HZ       LYS  16  17.874   3.117  -3.367
  112    H    ASP  17           H        ASP  17  10.318   3.149  -3.107
  113    HA   ASP  17           HA       ASP  17  11.445   1.061  -4.797
  114   1HB   ASP  17          1HB       ASP  17  11.802   1.423  -1.975
  115   2HB   ASP  17          2HB       ASP  17  10.716   0.060  -2.164
  116    H    ARG  18           H        ARG  18   8.829   2.732  -4.613
  117    HA   ARG  18           HA       ARG  18   6.893   0.912  -3.654
  118   1HB   ARG  18          1HB       ARG  18   6.365   3.248  -5.541
  119   2HB   ARG  18          2HB       ARG  18   5.276   2.570  -4.347
  120   1HG   ARG  18          1HG       ARG  18   7.921   3.685  -3.404
  121   2HG   ARG  18          2HG       ARG  18   6.657   4.812  -3.851
  122   1HD   ARG  18          1HD       ARG  18   5.306   2.916  -2.270
  123   2HD   ARG  18          2HD       ARG  18   6.857   3.080  -1.470
  124    HE   ARG  18           HE       ARG  18   5.477   5.599  -2.223
  125   1HH1  ARG  18          1HH1      ARG  18   6.312   3.290   0.298
  126   2HH1  ARG  18          2HH1      ARG  18   5.965   4.385   1.594
  127   1HH2  ARG  18          1HH2      ARG  18   5.020   7.045  -0.513
  128   2HH2  ARG  18          2HH2      ARG  18   5.225   6.536   1.130
  129    H    VAL  19           H        VAL  19   5.683  -0.612  -4.820
  130    HA   VAL  19           HA       VAL  19   6.561  -1.058  -7.558
  131    HB   VAL  19           HB       VAL  19   4.808  -2.753  -5.772
  132   1HG1  VAL  19          1HG1      VAL  19   6.205  -3.216  -8.409
  133   2HG1  VAL  19          2HG1      VAL  19   5.780  -4.569  -7.333
  134   3HG1  VAL  19          3HG1      VAL  19   4.504  -3.506  -7.972
  135   1HG2  VAL  19          1HG2      VAL  19   7.393  -2.116  -5.187
  136   2HG2  VAL  19          2HG2      VAL  19   6.609  -3.651  -4.744
  137   3HG2  VAL  19          3HG2      VAL  19   7.622  -3.558  -6.205
  138    H    ASP  20           H        ASP  20   4.240   0.764  -5.986
  139    HA   ASP  20           HA       ASP  20   2.312   1.610  -6.517
  140   1HB   ASP  20          1HB       ASP  20   3.367   2.605  -8.409
  141   2HB   ASP  20          2HB       ASP  20   3.508   1.076  -9.252
  142    H    CYS  21           H        CYS  21   0.658   0.218  -5.778
  143    HA   CYS  21           HA       CYS  21   0.186  -2.292  -6.987
  144   1HB   CYS  21          1HB       CYS  21  -0.391  -1.205  -4.572
  145   2HB   CYS  21          2HB       CYS  21  -1.953  -1.059  -5.352
  146    H    GLY  22           H        GLY  22  -0.824   1.038  -7.532
  147   1HA   GLY  22          1HA       GLY  22  -2.102   0.407  -9.978
  148   2HA   GLY  22          2HA       GLY  22  -2.056   1.963  -9.173
  149    H    TYR  23           H        TYR  23  -3.762   2.610  -7.762
  150    HA   TYR  23           HA       TYR  23  -6.165   0.971  -8.072
  151   1HB   TYR  23          1HB       TYR  23  -4.658   1.899  -5.606
  152   2HB   TYR  23          2HB       TYR  23  -6.406   1.991  -5.520
  153    HD1  TYR  23           HD1      TYR  23  -7.671  -0.239  -6.277
  154    HD2  TYR  23           HD2      TYR  23  -3.617  -0.064  -4.920
  155    HE1  TYR  23           HE1      TYR  23  -7.764  -2.703  -5.660
  156    HE2  TYR  23           HE2      TYR  23  -3.724  -2.529  -4.307
  157    HH   TYR  23           HH       TYR  23  -6.694  -4.242  -4.241
  158    HA   PRO  24           HA       PRO  24  -7.917   4.854  -8.846
  159   1HB   PRO  24          1HB       PRO  24 -10.572   4.277  -8.556
  160   2HB   PRO  24          2HB       PRO  24  -9.665   3.910 -10.009
  161   1HG   PRO  24          1HG       PRO  24 -10.583   2.072  -7.884
  162   2HG   PRO  24          2HG       PRO  24 -10.065   1.693  -9.515
  163   1HD   PRO  24          1HD       PRO  24  -8.550   1.335  -7.106
  164   2HD   PRO  24          2HD       PRO  24  -7.991   1.066  -8.745
  165    H    HIS  25           H        HIS  25 -10.043   3.557  -6.347
  166    HA   HIS  25           HA       HIS  25  -9.747   6.097  -4.985
  167   1HB   HIS  25          1HB       HIS  25 -11.698   5.518  -3.776
  168   2HB   HIS  25          2HB       HIS  25 -11.989   5.079  -5.447
  169    HD1  HIS  25           HD1      HIS  25 -13.550   3.787  -3.048
  170    HD2  HIS  25           HD2      HIS  25 -10.200   2.101  -4.929
  171    HE1  HIS  25           HE1      HIS  25 -13.667   1.277  -2.602
  172    HE2  HIS  25           HE2      HIS  25 -11.613   0.289  -3.828
  173    H    VAL  26           H        VAL  26  -7.585   5.917  -4.189
  174    HA   VAL  26           HA       VAL  26  -7.112   3.693  -2.356
  175    HB   VAL  26           HB       VAL  26  -4.773   4.536  -2.418
  176   1HG1  VAL  26          1HG1      VAL  26  -5.518   2.712  -3.886
  177   2HG1  VAL  26          2HG1      VAL  26  -6.000   3.898  -5.123
  178   3HG1  VAL  26          3HG1      VAL  26  -4.285   3.720  -4.682
  179   1HG2  VAL  26          1HG2      VAL  26  -5.770   6.894  -3.264
  180   2HG2  VAL  26          2HG2      VAL  26  -4.094   6.376  -3.568
  181   3HG2  VAL  26          3HG2      VAL  26  -5.331   6.180  -4.834
  182    H    THR  27           H        THR  27  -6.829   3.982  -0.148
  183    HA   THR  27           HA       THR  27  -6.646   6.666   0.910
  184    HB   THR  27           HB       THR  27  -8.773   6.724   1.941
  185    HG1  THR  27           HG1      THR  27  -9.935   4.605   2.146
  186   1HG2  THR  27          1HG2      THR  27  -9.207   5.015  -0.566
  187   2HG2  THR  27          2HG2      THR  27 -10.502   5.848   0.328
  188   3HG2  THR  27          3HG2      THR  27  -9.238   6.793  -0.496
  189    HA   PRO  28           HA       PRO  28  -4.683   4.628   4.140
  190   1HB   PRO  28          1HB       PRO  28  -5.406   5.982   6.401
  191   2HB   PRO  28          2HB       PRO  28  -4.210   6.579   5.268
  192   1HG   PRO  28          1HG       PRO  28  -7.001   7.473   5.660
  193   2HG   PRO  28          2HG       PRO  28  -5.683   8.307   4.861
  194   1HD   PRO  28          1HD       PRO  28  -7.868   6.945   3.598
  195   2HD   PRO  28          2HD       PRO  28  -6.490   7.679   2.802
  196    H    LYS  29           H        LYS  29  -6.992   3.277   3.282
  197    HA   LYS  29           HA       LYS  29  -7.208   1.430   5.337
  198   1HB   LYS  29          1HB       LYS  29  -8.510   3.510   6.274
  199   2HB   LYS  29          2HB       LYS  29  -9.780   2.978   5.191
  200   1HG   LYS  29          1HG       LYS  29  -8.493   0.869   6.904
  201   2HG   LYS  29          2HG       LYS  29  -9.518   2.031   7.722
  202   1HD   LYS  29          1HD       LYS  29 -10.521   0.696   5.194
  203   2HD   LYS  29          2HD       LYS  29 -10.563  -0.191   6.705
  204   1HE   LYS  29          1HE       LYS  29 -12.229   1.135   7.604
  205   2HE   LYS  29          2HE       LYS  29 -11.614   2.600   6.864
  206   1HZ   LYS  29          1HZ       LYS  29 -12.468   0.936   4.831
  207   2HZ   LYS  29          2HZ       LYS  29 -13.652   0.948   5.956
  208   3HZ   LYS  29          3HZ       LYS  29 -13.127   2.352   5.308
  209    H    GLU  30           H        GLU  30  -8.961   3.095   2.651
  210    HA   GLU  30           HA       GLU  30 -10.218   0.727   1.814
  211   1HB   GLU  30          1HB       GLU  30 -11.126   2.963   1.305
  212   2HB   GLU  30          2HB       GLU  30  -9.709   3.355   0.352
  213   1HG   GLU  30          1HG       GLU  30 -10.706   2.444  -1.466
  214   2HG   GLU  30          2HG       GLU  30 -10.663   0.876  -0.683
  215    H    CYS  31           H        CYS  31  -7.226   2.493   0.853
  216    HA   CYS  31           HA       CYS  31  -6.664   0.863  -1.357
  217   1HB   CYS  31          1HB       CYS  31  -5.521   2.828  -1.466
  218   2HB   CYS  31          2HB       CYS  31  -5.205   2.887   0.257
  219    H    ASN  32           H        ASN  32  -5.964   0.728   2.161
  220    HA   ASN  32           HA       ASN  32  -4.224  -1.506   1.834
  221   1HB   ASN  32          1HB       ASN  32  -3.552  -0.824   3.907
  222   2HB   ASN  32          2HB       ASN  32  -4.788   0.418   3.876
  223   2HD2  ASN  32          2HD2      ASN  32  -7.043  -0.350   4.377
  224   1HD2  ASN  32          1HD2      ASN  32  -7.244  -1.456   5.695
  225    H    ASN  33           H        ASN  33  -7.553  -1.030   1.668
  226    HA   ASN  33           HA       ASN  33  -8.211  -3.464   3.084
  227   1HB   ASN  33          1HB       ASN  33  -9.724  -1.598   3.511
  228   2HB   ASN  33          2HB       ASN  33  -9.886  -1.253   1.800
  229   2HD2  ASN  33          2HD2      ASN  33 -11.757  -1.805   1.016
  230   1HD2  ASN  33          1HD2      ASN  33 -12.715  -3.186   1.436
  231    H    ARG  34           H        ARG  34  -8.191  -1.892  -0.159
  232    HA   ARG  34           HA       ARG  34  -9.587  -3.806  -1.533
  233   1HB   ARG  34          1HB       ARG  34  -8.419  -1.427  -2.184
  234   2HB   ARG  34          2HB       ARG  34  -7.242  -2.509  -2.901
  235   1HG   ARG  34          1HG       ARG  34  -9.088  -1.834  -4.487
  236   2HG   ARG  34          2HG       ARG  34  -8.932  -3.569  -4.294
  237   1HD   ARG  34          1HD       ARG  34 -10.766  -2.371  -2.304
  238   2HD   ARG  34          2HD       ARG  34 -11.287  -2.086  -3.953
  239    HE   ARG  34           HE       ARG  34 -11.186  -4.667  -2.576
  240   1HH1  ARG  34          1HH1      ARG  34 -11.192  -3.086  -5.719
  241   2HH1  ARG  34          2HH1      ARG  34 -11.796  -4.475  -6.560
  242   1HH2  ARG  34          1HH2      ARG  34 -11.983  -6.500  -3.684
  243   2HH2  ARG  34          2HH2      ARG  34 -12.249  -6.430  -5.394
  244    H    GLY  35           H        GLY  35  -6.288  -3.778  -0.264
  245   1HA   GLY  35          1HA       GLY  35  -5.759  -6.352  -1.627
  246   2HA   GLY  35          2HA       GLY  35  -5.388  -6.050   0.059
  247    H    CYS  36           H        CYS  36  -3.900  -4.091   0.515
  248    HA   CYS  36           HA       CYS  36  -1.489  -4.465  -0.663
  249   1HB   CYS  36          1HB       CYS  36  -3.124  -3.103  -2.497
  250   2HB   CYS  36          2HB       CYS  36  -2.067  -1.878  -1.824
  251    H    CYS  37           H        CYS  37  -0.568  -1.656  -0.639
  252    HA   CYS  37           HA       CYS  37  -1.233  -0.985   2.136
  253   1HB   CYS  37          1HB       CYS  37   1.393  -1.255   0.767
  254   2HB   CYS  37          2HB       CYS  37   1.219   0.079   1.891
  255    H    PHE  38           H        PHE  38  -1.272   1.344   2.602
  256    HA   PHE  38           HA       PHE  38  -1.603   2.934   0.156
  257   1HB   PHE  38          1HB       PHE  38  -3.695   2.597   1.447
  258   2HB   PHE  38          2HB       PHE  38  -2.880   2.976   2.951
  259    HD1  PHE  38           HD1      PHE  38  -4.169   4.408  -0.190
  260    HD2  PHE  38           HD2      PHE  38  -2.582   5.236   3.658
  261    HE1  PHE  38           HE1      PHE  38  -4.849   6.813  -0.427
  262    HE2  PHE  38           HE2      PHE  38  -3.262   7.641   3.420
  263    HZ   PHE  38           HZ       PHE  38  -4.387   8.400   1.380
  264    H    ASP  39           H        ASP  39  -1.391   5.429   0.739
  265    HA   ASP  39           HA       ASP  39   0.205   6.183   2.849
  266   1HB   ASP  39          1HB       ASP  39   2.013   4.908   1.810
  267   2HB   ASP  39          2HB       ASP  39   1.687   5.622   0.244
  268    H    SER  40           H        SER  40   0.372   8.517   2.827
  269    HA   SER  40           HA       SER  40  -0.463   9.768   0.335
  270   1HB   SER  40          1HB       SER  40  -1.939  11.291   1.546
  271   2HB   SER  40          2HB       SER  40  -2.401   9.639   1.903
  272    HG   SER  40           HG       SER  40  -0.644  11.195   3.597
  273    H    ARG  41           H        ARG  41   2.135   9.290   2.001
  274    HA   ARG  41           HA       ARG  41   2.897  11.651   3.162
  275   1HB   ARG  41          1HB       ARG  41   4.050   9.169   2.742
  276   2HB   ARG  41          2HB       ARG  41   5.029  10.167   1.686
  277   1HG   ARG  41          1HG       ARG  41   4.868  11.734   3.987
  278   2HG   ARG  41          2HG       ARG  41   4.910  10.112   4.649
  279   1HD   ARG  41          1HD       ARG  41   7.125   9.907   4.179
  280   2HD   ARG  41          2HD       ARG  41   6.859  10.313   2.495
  281    HE   ARG  41           HE       ARG  41   7.721  12.421   2.966
  282   1HH1  ARG  41          1HH1      ARG  41   6.253  11.151   5.901
  283   2HH1  ARG  41          2HH1      ARG  41   6.677  12.528   6.862
  284   1HH2  ARG  41          1HH2      ARG  41   8.281  14.238   4.233
  285   2HH2  ARG  41          2HH2      ARG  41   7.839  14.296   5.907
  286    H    ILE  42           H        ILE  42   3.452  10.424  -0.218
  287    HA   ILE  42           HA       ILE  42   3.551  13.189  -1.114
  288    HB   ILE  42           HB       ILE  42   5.562  12.097  -2.599
  289   1HG1  ILE  42          1HG1      ILE  42   7.163  11.103  -0.992
  290   2HG1  ILE  42          2HG1      ILE  42   5.915  11.082   0.237
  291   1HG2  ILE  42          1HG2      ILE  42   5.366  14.357  -1.514
  292   2HG2  ILE  42          2HG2      ILE  42   5.986  13.618  -0.018
  293   3HG2  ILE  42          3HG2      ILE  42   6.994  13.637  -1.485
  294   1HD1  ILE  42          1HD1      ILE  42   5.062   9.856  -2.325
  295   2HD1  ILE  42          2HD1      ILE  42   6.419   9.019  -1.534
  296   3HD1  ILE  42          3HD1      ILE  42   4.886   9.250  -0.660
  297    HA   PRO  43           HA       PRO  43   1.114  11.316  -4.166
  298   1HB   PRO  43          1HB       PRO  43   0.781  13.467  -5.820
  299   2HB   PRO  43          2HB       PRO  43  -0.183  13.207  -4.379
  300   1HG   PRO  43          1HG       PRO  43   2.021  15.129  -4.812
  301   2HG   PRO  43          2HG       PRO  43   0.787  15.136  -3.569
  302   1HD   PRO  43          1HD       PRO  43   3.527  14.345  -3.262
  303   2HD   PRO  43          2HD       PRO  43   2.265  14.244  -2.051
  304    H    GLY  44           H        GLY  44   3.955  13.124  -5.112
  305   1HA   GLY  44          1HA       GLY  44   5.604  12.507  -6.535
  306   2HA   GLY  44          2HA       GLY  44   4.293  12.452  -7.697
  307    H    VAL  45           H        VAL  45   4.448  10.254  -4.882
  308    HA   VAL  45           HA       VAL  45   5.311   8.100  -6.669
  309    HB   VAL  45           HB       VAL  45   6.293   7.110  -4.892
  310   1HG1  VAL  45          1HG1      VAL  45   6.133  10.004  -3.988
  311   2HG1  VAL  45          2HG1      VAL  45   7.260   8.796  -3.325
  312   3HG1  VAL  45          3HG1      VAL  45   7.369   9.269  -5.037
  313   1HG2  VAL  45          1HG2      VAL  45   4.075   8.285  -3.206
  314   2HG2  VAL  45          2HG2      VAL  45   4.434   6.576  -3.548
  315   3HG2  VAL  45          3HG2      VAL  45   5.506   7.513  -2.480
  316    HA   PRO  46           HA       PRO  46   1.467   6.141  -6.359
  317   1HB   PRO  46          1HB       PRO  46   2.022   3.494  -5.970
  318   2HB   PRO  46          2HB       PRO  46   2.158   4.282  -7.529
  319   1HG   PRO  46          1HG       PRO  46   4.309   3.450  -5.680
  320   2HG   PRO  46          2HG       PRO  46   4.416   3.837  -7.385
  321   1HD   PRO  46          1HD       PRO  46   5.216   5.505  -5.194
  322   2HD   PRO  46          2HD       PRO  46   5.215   5.936  -6.892
  323    H    TRP  47           H        TRP  47   0.528   7.227  -4.620
  324    HA   TRP  47           HA       TRP  47   0.931   6.930  -2.033
  325   1HB   TRP  47          1HB       TRP  47  -1.558   7.215  -3.637
  326   2HB   TRP  47          2HB       TRP  47  -1.737   6.858  -1.931
  327    HD1  TRP  47           HD1      TRP  47   1.160   9.130  -3.057
  328    HE1  TRP  47           HE1      TRP  47   0.827  11.605  -2.204
  329    HE3  TRP  47           HE3      TRP  47  -3.562   8.445  -1.300
  330    HZ2  TRP  47           HZ2      TRP  47  -1.326  12.968  -0.919
  331    HZ3  TRP  47           HZ3      TRP  47  -4.709  10.400  -0.261
  332    HH2  TRP  47           HH2      TRP  47  -3.667  12.601  -0.056
  333    H    CYS  48           H        CYS  48  -1.048   4.620  -4.028
  334    HA   CYS  48           HA       CYS  48  -0.945   2.739  -1.822
  335   1HB   CYS  48          1HB       CYS  48  -3.056   3.305  -3.166
  336   2HB   CYS  48          2HB       CYS  48  -2.357   2.347  -4.456
  337    H    PHE  49           H        PHE  49   0.917   1.517  -1.754
  338    HA   PHE  49           HA       PHE  49   1.866   0.456  -4.318
  339   1HB   PHE  49          1HB       PHE  49   4.180   0.650  -3.112
  340   2HB   PHE  49          2HB       PHE  49   3.464   2.156  -3.652
  341    HD1  PHE  49           HD1      PHE  49   3.641  -0.040  -0.644
  342    HD2  PHE  49           HD2      PHE  49   3.241   3.907  -2.150
  343    HE1  PHE  49           HE1      PHE  49   3.783   0.866   1.693
  344    HE2  PHE  49           HE2      PHE  49   3.383   4.813   0.187
  345    HZ   PHE  49           HZ       PHE  49   3.652   3.281   2.080
  346    H    LYS  50           H        LYS  50   3.240  -1.559  -4.030
  347    HA   LYS  50           HA       LYS  50   1.839  -3.397  -2.435
  348   1HB   LYS  50          1HB       LYS  50   4.419  -3.562  -4.007
  349   2HB   LYS  50          2HB       LYS  50   3.746  -4.932  -3.146
  350   1HG   LYS  50          1HG       LYS  50   1.526  -3.972  -4.526
  351   2HG   LYS  50          2HG       LYS  50   2.824  -3.644  -5.656
  352   1HD   LYS  50          1HD       LYS  50   3.387  -6.240  -4.693
  353   2HD   LYS  50          2HD       LYS  50   1.645  -6.221  -4.879
  354   1HE   LYS  50          1HE       LYS  50   2.560  -4.933  -7.206
  355   2HE   LYS  50          2HE       LYS  50   3.746  -6.197  -6.950
  356   1HZ   LYS  50          1HZ       LYS  50   1.085  -7.097  -6.539
  357   2HZ   LYS  50          2HZ       LYS  50   1.318  -6.531  -8.053
  358   3HZ   LYS  50          3HZ       LYS  50   2.262  -7.732  -7.476
  359    HA   PRO  51           HA       PRO  51   4.024  -3.301   1.285
  360   1HB   PRO  51          1HB       PRO  51   4.089  -5.914   2.082
  361   2HB   PRO  51          2HB       PRO  51   2.673  -4.896   2.250
  362   1HG   PRO  51          1HG       PRO  51   3.182  -7.054   0.296
  363   2HG   PRO  51          2HG       PRO  51   1.655  -6.328   0.756
  364   1HD   PRO  51          1HD       PRO  51   3.135  -5.832  -1.650
  365   2HD   PRO  51          2HD       PRO  51   1.669  -5.022  -1.136
  366    H    LEU  52           H        LEU  52   6.050  -2.654   1.598
  367    HA   LEU  52           HA       LEU  52   8.139  -3.243   0.084
  368   1HB   LEU  52          1HB       LEU  52   8.316  -1.632   1.795
  369   2HB   LEU  52          2HB       LEU  52   8.000  -2.806   3.058
  370    HG   LEU  52           HG       LEU  52  10.485  -2.806   1.323
  371   1HD1  LEU  52          1HD1      LEU  52  10.140  -0.772   2.844
  372   2HD1  LEU  52          2HD1      LEU  52  10.370  -1.904   4.198
  373   3HD1  LEU  52          3HD1      LEU  52  11.665  -1.676   2.999
  374   1HD2  LEU  52          1HD2      LEU  52   9.388  -4.673   3.270
  375   2HD2  LEU  52          2HD2      LEU  52  10.731  -4.870   2.119
  376   3HD2  LEU  52          3HD2      LEU  52  11.022  -4.121   3.707
  377    H    GLN  53           H        GLN  53   9.451  -4.934  -0.443
  378    HA   GLN  53           HA       GLN  53   8.661  -7.487   0.273
  379   1HB   GLN  53          1HB       GLN  53  11.011  -8.071  -0.738
  380   2HB   GLN  53          2HB       GLN  53   9.788  -7.361  -1.774
  381   1HG   GLN  53          1HG       GLN  53  11.388  -5.316  -0.365
  382   2HG   GLN  53          2HG       GLN  53  12.379  -6.367  -1.357
  383   2HE2  GLN  53          2HE2      GLN  53  11.287  -3.505  -1.499
  384   1HE2  GLN  53          1HE2      GLN  53  10.692  -3.338  -3.117
  385    H    GLU  54           H        GLU  54   8.565  -7.383   2.653
  386    HA   GLU  54           HA       GLU  54  10.577  -6.728   4.306
  387   1HB   GLU  54          1HB       GLU  54   9.409  -7.892   5.977
  388   2HB   GLU  54          2HB       GLU  54   8.161  -7.601   4.782
  389   1HG   GLU  54          1HG       GLU  54   8.811  -9.929   3.796
  390   2HG   GLU  54          2HG       GLU  54   9.688 -10.184   5.292
  391    H    ALA  55           H        ALA  55  12.659  -7.401   4.579
  392    HA   ALA  55           HA       ALA  55  13.293 -10.190   4.451
  393   1HB   ALA  55          1HB       ALA  55  13.674 -10.147   2.205
  394   2HB   ALA  55          2HB       ALA  55  15.194  -9.351   2.679
  395   3HB   ALA  55          3HB       ALA  55  13.802  -8.373   2.157
  396    H    GLU  56           H        GLU  56  14.959  -6.986   3.990
  397    HA   GLU  56           HA       GLU  56  17.166  -7.526   5.413
  398   1HB   GLU  56          1HB       GLU  56  15.649  -5.076   4.707
  399   2HB   GLU  56          2HB       GLU  56  16.711  -4.878   6.086
  400   1HG   GLU  56          1HG       GLU  56  18.271  -6.336   4.247
  401   2HG   GLU  56          2HG       GLU  56  17.391  -5.204   3.239
  402    H    CYS  57           H        CYS  57  17.761  -6.357   7.647
  403    HA   CYS  57           HA       CYS  57  17.517  -6.254   9.827
  404   1HB   CYS  57          1HB       CYS  57  14.755  -5.785   8.925
  405   2HB   CYS  57          2HB       CYS  57  14.881  -6.410  10.558
  406    H    THR  58           H        THR  58  18.449  -8.560   9.264
  407    HA   THR  58           HA       THR  58  16.570 -10.678   9.996
  408    HB   THR  58           HB       THR  58  18.597 -12.095   9.250
  409    HG1  THR  58           HG1      THR  58  20.373 -10.771   9.134
  410   1HG2  THR  58          1HG2      THR  58  16.931 -10.302   7.562
  411   2HG2  THR  58          2HG2      THR  58  18.473 -10.766   6.803
  412   3HG2  THR  58          3HG2      THR  58  17.327 -12.022   7.330
  413    H    PHE  59           H        PHE  59  19.995  -9.811  10.841
  414    HA   PHE  59           HA       PHE  59  19.286 -10.532  13.596
  415   1HB   PHE  59          1HB       PHE  59  20.825 -12.070  11.963
  416   2HB   PHE  59          2HB       PHE  59  22.058 -10.901  12.392
  417    HD1  PHE  59           HD1      PHE  59  22.697 -10.627  14.804
  418    HD2  PHE  59           HD2      PHE  59  20.170 -13.770  13.481
  419    HE1  PHE  59           HE1      PHE  59  23.151 -11.887  16.927
  420    HE2  PHE  59           HE2      PHE  59  20.624 -15.029  15.604
  421    HZ   PHE  59           HZ       PHE  59  22.109 -14.073  17.302

  No H/Q in entry =         421
  Start of MODEL   31
    1    H    GLU   1           H        GLU   1   6.004  -5.106  21.425
    2    HA   GLU   1           HA       GLU   1   7.787  -6.354  23.357
    3   1HB   GLU   1          1HB       GLU   1   5.901  -4.711  24.056
    4   2HB   GLU   1          2HB       GLU   1   4.783  -6.001  23.659
    5   1HG   GLU   1          1HG       GLU   1   5.158  -6.932  25.690
    6   2HG   GLU   1          2HG       GLU   1   6.830  -7.206  25.243
    7    H    GLU   2           H        GLU   2   4.557  -7.013  21.800
    8    HA   GLU   2           HA       GLU   2   5.120  -9.824  22.026
    9   1HB   GLU   2          1HB       GLU   2   2.777  -8.223  22.052
   10   2HB   GLU   2          2HB       GLU   2   2.667  -9.173  20.585
   11   1HG   GLU   2          1HG       GLU   2   1.802 -10.766  21.998
   12   2HG   GLU   2          2HG       GLU   2   3.491 -11.128  22.293
   13    H    TYR   3           H        TYR   3   3.783  -7.765  19.335
   14    HA   TYR   3           HA       TYR   3   5.801  -8.299  17.514
   15   1HB   TYR   3          1HB       TYR   3   4.396 -10.606  18.102
   16   2HB   TYR   3          2HB       TYR   3   3.343  -9.952  16.864
   17    HD1  TYR   3           HD1      TYR   3   7.079 -10.161  17.248
   18    HD2  TYR   3           HD2      TYR   3   3.651 -11.030  14.839
   19    HE1  TYR   3           HE1      TYR   3   8.584 -11.136  15.445
   20    HE2  TYR   3           HE2      TYR   3   5.168 -12.002  13.045
   21    HH   TYR   3           HH       TYR   3   7.266 -12.863  12.737
   22    H    VAL   4           H        VAL   4   5.233  -7.570  15.302
   23    HA   VAL   4           HA       VAL   4   2.809  -5.907  15.369
   24    HB   VAL   4           HB       VAL   4   3.969  -4.308  14.026
   25   1HG1  VAL   4          1HG1      VAL   4   5.600  -5.237  16.407
   26   2HG1  VAL   4          2HG1      VAL   4   5.873  -3.695  15.562
   27   3HG1  VAL   4          3HG1      VAL   4   4.319  -4.002  16.374
   28   1HG2  VAL   4          1HG2      VAL   4   5.368  -6.245  12.899
   29   2HG2  VAL   4          2HG2      VAL   4   6.002  -4.583  12.975
   30   3HG2  VAL   4          3HG2      VAL   4   6.566  -5.805  14.140
   31    H    GLY   5           H        GLY   5   3.205  -5.229  12.495
   32   1HA   GLY   5          1HA       GLY   5   1.952  -7.632  11.413
   33   2HA   GLY   5          2HA       GLY   5   3.450  -7.121  10.661
   34    H    LEU   6           H        LEU   6   1.445  -4.617  12.111
   35    HA   LEU   6           HA       LEU   6   0.446  -3.928   9.437
   36   1HB   LEU   6          1HB       LEU   6  -1.039  -2.454  11.195
   37   2HB   LEU   6          2HB       LEU   6  -1.530  -3.948  10.422
   38    HG   LEU   6           HG       LEU   6  -0.512  -5.148  12.456
   39   1HD1  LEU   6          1HD1      LEU   6   0.777  -3.245  13.316
   40   2HD1  LEU   6          2HD1      LEU   6  -0.736  -2.367  13.641
   41   3HD1  LEU   6          3HD1      LEU   6  -0.372  -3.869  14.524
   42   1HD2  LEU   6          1HD2      LEU   6  -2.956  -4.832  11.932
   43   2HD2  LEU   6          2HD2      LEU   6  -2.561  -5.040  13.655
   44   3HD2  LEU   6          3HD2      LEU   6  -2.931  -3.421  13.016
   45    H    SER   7           H        SER   7   0.322  -1.667  12.132
   46    HA   SER   7           HA       SER   7   1.048   0.414  12.158
   47   1HB   SER   7          1HB       SER   7   3.676   0.449  12.324
   48   2HB   SER   7          2HB       SER   7   2.744  -0.396  13.544
   49    HG   SER   7           HG       SER   7   3.608  -1.824  11.212
   50    H    ALA   8           H        ALA   8   4.097  -0.105  10.543
   51    HA   ALA   8           HA       ALA   8   3.049   0.748   7.968
   52   1HB   ALA   8          1HB       ALA   8   4.235   2.766   7.882
   53   2HB   ALA   8          2HB       ALA   8   5.318   2.303   9.216
   54   3HB   ALA   8          3HB       ALA   8   3.629   2.750   9.555
   55    H    ASN   9           H        ASN   9   4.519  -1.569   9.515
   56    HA   ASN   9           HA       ASN   9   7.104  -1.657   8.538
   57   1HB   ASN   9          1HB       ASN   9   5.915  -3.149  10.331
   58   2HB   ASN   9          2HB       ASN   9   5.333  -4.105   8.982
   59   2HD2  ASN   9          2HD2      ASN   9   6.497  -5.871   9.816
   60   1HD2  ASN   9          1HD2      ASN   9   8.203  -6.048   9.573
   61    H    GLN  10           H        GLN  10   3.997  -3.169   7.378
   62    HA   GLN  10           HA       GLN  10   5.122  -4.335   5.123
   63   1HB   GLN  10          1HB       GLN  10   2.730  -4.543   6.371
   64   2HB   GLN  10          2HB       GLN  10   2.246  -3.474   5.069
   65   1HG   GLN  10          1HG       GLN  10   2.023  -5.363   3.815
   66   2HG   GLN  10          2HG       GLN  10   3.772  -5.350   3.705
   67   2HE2  GLN  10          2HE2      GLN  10   1.267  -6.218   6.092
   68   1HE2  GLN  10          1HE2      GLN  10   1.928  -7.750   6.555
   69    H    CYS  11           H        CYS  11   3.877  -1.072   5.808
   70    HA   CYS  11           HA       CYS  11   4.430  -0.382   3.013
   71   1HB   CYS  11          1HB       CYS  11   2.817   1.508   4.592
   72   2HB   CYS  11          2HB       CYS  11   2.649   0.986   2.928
   73    H    ALA  12           H        ALA  12   6.604  -0.650   4.705
   74    HA   ALA  12           HA       ALA  12   7.127   2.032   5.753
   75   1HB   ALA  12          1HB       ALA  12   9.242   0.143   6.247
   76   2HB   ALA  12          2HB       ALA  12   8.143   0.915   7.414
   77   3HB   ALA  12          3HB       ALA  12   7.685  -0.622   6.643
   78    H    VAL  13           H        VAL  13   6.941   1.818   2.938
   79    HA   VAL  13           HA       VAL  13   9.692   1.590   2.017
   80    HB   VAL  13           HB       VAL  13   7.626   2.406   0.110
   81   1HG1  VAL  13          1HG1      VAL  13  10.032   0.801   0.236
   82   2HG1  VAL  13          2HG1      VAL  13   8.720  -0.099  -0.562
   83   3HG1  VAL  13          3HG1      VAL  13   9.207   1.499  -1.178
   84   1HG2  VAL  13          1HG2      VAL  13   7.233  -0.055   1.808
   85   2HG2  VAL  13          2HG2      VAL  13   6.042   1.165   1.296
   86   3HG2  VAL  13          3HG2      VAL  13   6.676  -0.009   0.118
   87    HA   PRO  14           HA       PRO  14  10.276   5.871   1.989
   88   1HB   PRO  14          1HB       PRO  14  12.174   6.160   0.045
   89   2HB   PRO  14          2HB       PRO  14  12.545   5.638   1.676
   90   1HG   PRO  14          1HG       PRO  14  12.420   4.030  -0.802
   91   2HG   PRO  14          2HG       PRO  14  13.185   3.636   0.725
   92   1HD   PRO  14          1HD       PRO  14  10.690   2.616  -0.257
   93   2HD   PRO  14          2HD       PRO  14  11.399   2.314   1.316
   94    H    ALA  15           H        ALA  15  10.269   4.792  -1.383
   95    HA   ALA  15           HA       ALA  15   7.925   5.738  -2.198
   96   1HB   ALA  15          1HB       ALA  15   9.668   7.993  -1.441
   97   2HB   ALA  15          2HB       ALA  15   7.908   7.946  -1.701
   98   3HB   ALA  15          3HB       ALA  15   9.008   8.121  -3.089
   99    H    LYS  16           H        LYS  16  11.385   5.384  -2.650
  100    HA   LYS  16           HA       LYS  16  11.086   5.352  -5.544
  101   1HB   LYS  16          1HB       LYS  16  13.506   5.264  -5.598
  102   2HB   LYS  16          2HB       LYS  16  12.977   6.574  -4.562
  103   1HG   LYS  16          1HG       LYS  16  14.515   5.642  -3.116
  104   2HG   LYS  16          2HG       LYS  16  13.145   4.642  -2.674
  105   1HD   LYS  16          1HD       LYS  16  14.997   3.143  -3.068
  106   2HD   LYS  16          2HD       LYS  16  13.898   2.950  -4.420
  107   1HE   LYS  16          1HE       LYS  16  15.419   3.758  -5.926
  108   2HE   LYS  16          2HE       LYS  16  15.879   5.092  -4.888
  109   1HZ   LYS  16          1HZ       LYS  16  16.736   2.527  -3.956
  110   2HZ   LYS  16          2HZ       LYS  16  17.405   2.975  -5.376
  111   3HZ   LYS  16          3HZ       LYS  16  17.567   3.929  -4.060
  112    H    ASP  17           H        ASP  17  10.364   3.295  -3.076
  113    HA   ASP  17           HA       ASP  17  11.300   0.995  -4.605
  114   1HB   ASP  17          1HB       ASP  17  11.298   1.613  -1.746
  115   2HB   ASP  17          2HB       ASP  17  10.382   0.149  -2.043
  116    H    ARG  18           H        ARG  18   8.734   2.939  -4.437
  117    HA   ARG  18           HA       ARG  18   6.685   1.157  -3.661
  118   1HB   ARG  18          1HB       ARG  18   6.316   3.638  -5.393
  119   2HB   ARG  18          2HB       ARG  18   5.174   2.941  -4.261
  120   1HG   ARG  18          1HG       ARG  18   7.845   4.213  -3.494
  121   2HG   ARG  18          2HG       ARG  18   6.283   4.996  -3.354
  122   1HD   ARG  18          1HD       ARG  18   5.588   2.957  -1.880
  123   2HD   ARG  18          2HD       ARG  18   7.296   2.571  -1.814
  124    HE   ARG  18           HE       ARG  18   7.541   4.282  -0.256
  125   1HH1  ARG  18          1HH1      ARG  18   4.757   5.018  -2.279
  126   2HH1  ARG  18          2HH1      ARG  18   4.348   6.461  -1.412
  127   1HH2  ARG  18          1HH2      ARG  18   7.002   6.186   0.887
  128   2HH2  ARG  18          2HH2      ARG  18   5.634   7.130   0.401
  129    H    VAL  19           H        VAL  19   6.205  -0.634  -4.905
  130    HA   VAL  19           HA       VAL  19   6.827  -0.676  -7.691
  131    HB   VAL  19           HB       VAL  19   5.414  -2.598  -5.836
  132   1HG1  VAL  19          1HG1      VAL  19   5.935  -2.714  -8.782
  133   2HG1  VAL  19          2HG1      VAL  19   6.113  -4.206  -7.829
  134   3HG1  VAL  19          3HG1      VAL  19   4.561  -3.335  -7.836
  135   1HG2  VAL  19          1HG2      VAL  19   8.245  -2.191  -6.710
  136   2HG2  VAL  19          2HG2      VAL  19   7.593  -2.688  -5.130
  137   3HG2  VAL  19          3HG2      VAL  19   7.673  -3.860  -6.468
  138    H    ASP  20           H        ASP  20   4.303   0.665  -5.858
  139    HA   ASP  20           HA       ASP  20   2.362   1.491  -6.357
  140   1HB   ASP  20          1HB       ASP  20   3.256   2.617  -8.255
  141   2HB   ASP  20          2HB       ASP  20   3.485   1.127  -9.148
  142    H    CYS  21           H        CYS  21   0.511   0.292  -5.901
  143    HA   CYS  21           HA       CYS  21   0.266  -2.337  -7.047
  144   1HB   CYS  21          1HB       CYS  21  -0.380  -1.256  -4.603
  145   2HB   CYS  21          2HB       CYS  21  -1.944  -1.334  -5.391
  146    H    GLY  22           H        GLY  22  -0.819   0.948  -7.571
  147   1HA   GLY  22          1HA       GLY  22  -2.173   0.276  -9.968
  148   2HA   GLY  22          2HA       GLY  22  -2.099   1.846  -9.193
  149    H    TYR  23           H        TYR  23  -3.738   2.499  -7.690
  150    HA   TYR  23           HA       TYR  23  -6.157   0.862  -7.901
  151   1HB   TYR  23          1HB       TYR  23  -4.591   1.896  -5.502
  152   2HB   TYR  23          2HB       TYR  23  -6.338   1.894  -5.370
  153    HD1  TYR  23           HD1      TYR  23  -7.548  -0.370  -5.873
  154    HD2  TYR  23           HD2      TYR  23  -3.376  -0.040  -4.985
  155    HE1  TYR  23           HE1      TYR  23  -7.489  -2.823  -5.206
  156    HE2  TYR  23           HE2      TYR  23  -3.330  -2.494  -4.322
  157    HH   TYR  23           HH       TYR  23  -5.945  -4.206  -3.573
  158    HA   PRO  24           HA       PRO  24  -7.937   4.726  -8.705
  159   1HB   PRO  24          1HB       PRO  24 -10.582   4.146  -8.332
  160   2HB   PRO  24          2HB       PRO  24  -9.713   3.755  -9.803
  161   1HG   PRO  24          1HG       PRO  24 -10.566   1.954  -7.619
  162   2HG   PRO  24          2HG       PRO  24 -10.092   1.546  -9.256
  163   1HD   PRO  24          1HD       PRO  24  -8.510   1.238  -6.883
  164   2HD   PRO  24          2HD       PRO  24  -7.996   0.940  -8.532
  165    H    HIS  25           H        HIS  25 -10.101   3.549  -6.193
  166    HA   HIS  25           HA       HIS  25  -9.725   6.086  -4.864
  167   1HB   HIS  25          1HB       HIS  25 -11.667   5.564  -3.632
  168   2HB   HIS  25          2HB       HIS  25 -11.980   5.048  -5.278
  169    HD1  HIS  25           HD1      HIS  25 -13.495   3.876  -2.776
  170    HD2  HIS  25           HD2      HIS  25 -10.205   2.090  -4.669
  171    HE1  HIS  25           HE1      HIS  25 -13.614   1.388  -2.220
  172    HE2  HIS  25           HE2      HIS  25 -11.598   0.336  -3.455
  173    H    VAL  26           H        VAL  26  -7.526   5.864  -4.143
  174    HA   VAL  26           HA       VAL  26  -7.034   3.681  -2.276
  175    HB   VAL  26           HB       VAL  26  -4.703   4.537  -2.370
  176   1HG1  VAL  26          1HG1      VAL  26  -6.027   3.835  -5.010
  177   2HG1  VAL  26          2HG1      VAL  26  -4.272   3.797  -4.713
  178   3HG1  VAL  26          3HG1      VAL  26  -5.351   2.706  -3.811
  179   1HG2  VAL  26          1HG2      VAL  26  -5.802   6.875  -3.286
  180   2HG2  VAL  26          2HG2      VAL  26  -4.084   6.432  -3.422
  181   3HG2  VAL  26          3HG2      VAL  26  -5.187   6.151  -4.791
  182    H    THR  27           H        THR  27  -6.645   3.993  -0.073
  183    HA   THR  27           HA       THR  27  -6.527   6.687   0.964
  184    HB   THR  27           HB       THR  27  -8.622   6.682   2.058
  185    HG1  THR  27           HG1      THR  27  -8.197   3.828   1.686
  186   1HG2  THR  27          1HG2      THR  27  -9.104   4.910  -0.396
  187   2HG2  THR  27          2HG2      THR  27 -10.371   5.771   0.510
  188   3HG2  THR  27          3HG2      THR  27  -9.137   6.690  -0.385
  189    HA   PRO  28           HA       PRO  28  -4.414   4.744   4.159
  190   1HB   PRO  28          1HB       PRO  28  -5.167   6.038   6.445
  191   2HB   PRO  28          2HB       PRO  28  -4.027   6.708   5.295
  192   1HG   PRO  28          1HG       PRO  28  -6.854   7.446   5.747
  193   2HG   PRO  28          2HG       PRO  28  -5.599   8.357   4.931
  194   1HD   PRO  28          1HD       PRO  28  -7.731   6.888   3.696
  195   2HD   PRO  28          2HD       PRO  28  -6.410   7.703   2.882
  196    H    LYS  29           H        LYS  29  -6.694   3.298   3.333
  197    HA   LYS  29           HA       LYS  29  -6.759   1.412   5.366
  198   1HB   LYS  29          1HB       LYS  29  -8.131   3.406   6.375
  199   2HB   LYS  29          2HB       LYS  29  -9.402   2.845   5.308
  200   1HG   LYS  29          1HG       LYS  29  -7.998   0.745   6.932
  201   2HG   LYS  29          2HG       LYS  29  -9.028   1.854   7.815
  202   1HD   LYS  29          1HD       LYS  29 -10.499   1.105   5.482
  203   2HD   LYS  29          2HD       LYS  29  -9.790  -0.374   6.100
  204   1HE   LYS  29          1HE       LYS  29 -10.683   0.838   8.438
  205   2HE   LYS  29          2HE       LYS  29 -11.903   1.348   7.288
  206   1HZ   LYS  29          1HZ       LYS  29 -11.051  -1.437   7.684
  207   2HZ   LYS  29          2HZ       LYS  29 -12.410  -0.776   8.303
  208   3HZ   LYS  29          3HZ       LYS  29 -12.242  -0.933   6.686
  209    H    GLU  30           H        GLU  30  -8.951   2.976   2.925
  210    HA   GLU  30           HA       GLU  30 -10.036   0.602   2.044
  211   1HB   GLU  30          1HB       GLU  30 -10.945   2.881   1.573
  212   2HB   GLU  30          2HB       GLU  30  -9.608   3.189   0.484
  213   1HG   GLU  30          1HG       GLU  30 -10.707   2.153  -1.203
  214   2HG   GLU  30          2HG       GLU  30 -10.770   0.666  -0.278
  215    H    CYS  31           H        CYS  31  -7.147   2.458   0.920
  216    HA   CYS  31           HA       CYS  31  -6.605   0.834  -1.280
  217   1HB   CYS  31          1HB       CYS  31  -5.492   2.818  -1.395
  218   2HB   CYS  31          2HB       CYS  31  -5.119   2.853   0.317
  219    H    ASN  32           H        ASN  32  -5.675   0.734   2.203
  220    HA   ASN  32           HA       ASN  32  -3.986  -1.516   1.791
  221   1HB   ASN  32          1HB       ASN  32  -3.247  -0.996   3.900
  222   2HB   ASN  32          2HB       ASN  32  -4.256   0.431   3.779
  223   2HD2  ASN  32          2HD2      ASN  32  -3.689  -2.512   5.349
  224   1HD2  ASN  32          1HD2      ASN  32  -5.087  -2.576   6.371
  225    H    ASN  33           H        ASN  33  -7.305  -1.071   1.748
  226    HA   ASN  33           HA       ASN  33  -7.884  -3.495   3.224
  227   1HB   ASN  33          1HB       ASN  33  -9.300  -1.462   3.639
  228   2HB   ASN  33          2HB       ASN  33  -9.750  -1.427   1.945
  229   2HD2  ASN  33          2HD2      ASN  33 -10.340  -2.740   5.027
  230   1HD2  ASN  33          1HD2      ASN  33 -11.606  -3.853   4.629
  231    H    ARG  34           H        ARG  34  -7.929  -1.943  -0.010
  232    HA   ARG  34           HA       ARG  34  -9.450  -3.836  -1.315
  233   1HB   ARG  34          1HB       ARG  34  -8.311  -1.459  -2.020
  234   2HB   ARG  34          2HB       ARG  34  -7.171  -2.541  -2.795
  235   1HG   ARG  34          1HG       ARG  34  -9.075  -1.872  -4.299
  236   2HG   ARG  34          2HG       ARG  34  -8.940  -3.607  -4.093
  237   1HD   ARG  34          1HD       ARG  34 -10.850  -3.735  -2.704
  238   2HD   ARG  34          2HD       ARG  34 -10.735  -2.057  -2.211
  239    HE   ARG  34           HE       ARG  34 -11.812  -1.385  -4.218
  240   1HH1  ARG  34          1HH1      ARG  34 -11.134  -4.838  -4.247
  241   2HH1  ARG  34          2HH1      ARG  34 -12.154  -5.157  -5.610
  242   1HH2  ARG  34          1HH2      ARG  34 -13.158  -1.805  -6.017
  243   2HH2  ARG  34          2HH2      ARG  34 -13.313  -3.420  -6.624
  244    H    GLY  35           H        GLY  35  -6.128  -3.864  -0.151
  245   1HA   GLY  35          1HA       GLY  35  -5.650  -6.406  -1.591
  246   2HA   GLY  35          2HA       GLY  35  -5.236  -6.146   0.092
  247    H    CYS  36           H        CYS  36  -3.752  -4.154   0.534
  248    HA   CYS  36           HA       CYS  36  -1.355  -4.533  -0.670
  249   1HB   CYS  36          1HB       CYS  36  -2.999  -3.216  -2.509
  250   2HB   CYS  36          2HB       CYS  36  -1.987  -1.951  -1.840
  251    H    CYS  37           H        CYS  37  -0.487  -1.683  -0.695
  252    HA   CYS  37           HA       CYS  37  -1.103  -1.008   2.089
  253   1HB   CYS  37          1HB       CYS  37   1.502  -1.324   0.710
  254   2HB   CYS  37          2HB       CYS  37   1.354   0.067   1.766
  255    H    PHE  38           H        PHE  38  -1.068   1.344   2.538
  256    HA   PHE  38           HA       PHE  38  -1.471   2.903   0.082
  257   1HB   PHE  38          1HB       PHE  38  -3.533   2.590   1.428
  258   2HB   PHE  38          2HB       PHE  38  -2.679   2.984   2.907
  259    HD1  PHE  38           HD1      PHE  38  -4.079   4.374  -0.199
  260    HD2  PHE  38           HD2      PHE  38  -2.313   5.261   3.556
  261    HE1  PHE  38           HE1      PHE  38  -4.754   6.778  -0.450
  262    HE2  PHE  38           HE2      PHE  38  -2.988   7.666   3.305
  263    HZ   PHE  38           HZ       PHE  38  -4.201   8.396   1.305
  264    H    ASP  39           H        ASP  39  -1.248   5.408   0.650
  265    HA   ASP  39           HA       ASP  39   0.412   6.172   2.705
  266   1HB   ASP  39          1HB       ASP  39   2.175   4.869   1.600
  267   2HB   ASP  39          2HB       ASP  39   1.824   5.620   0.057
  268    H    SER  40           H        SER  40   0.553   8.501   2.674
  269    HA   SER  40           HA       SER  40  -0.277   9.752   0.184
  270   1HB   SER  40          1HB       SER  40  -1.777  11.274   1.419
  271   2HB   SER  40          2HB       SER  40  -2.271   9.607   1.635
  272    HG   SER  40           HG       SER  40  -1.931   9.770   3.742
  273    H    ARG  41           H        ARG  41   2.279   9.309   1.932
  274    HA   ARG  41           HA       ARG  41   2.955  11.694   3.112
  275   1HB   ARG  41          1HB       ARG  41   4.148   9.255   2.885
  276   2HB   ARG  41          2HB       ARG  41   5.107  10.126   1.705
  277   1HG   ARG  41          1HG       ARG  41   5.067  11.941   3.792
  278   2HG   ARG  41          2HG       ARG  41   5.023  10.424   4.668
  279   1HD   ARG  41          1HD       ARG  41   7.170   9.854   4.061
  280   2HD   ARG  41          2HD       ARG  41   6.980  10.457   2.427
  281    HE   ARG  41           HE       ARG  41   6.995  12.767   3.970
  282   1HH1  ARG  41          1HH1      ARG  41   9.176  10.027   3.621
  283   2HH1  ARG  41          2HH1      ARG  41  10.594  10.943   4.007
  284   1HH2  ARG  41          1HH2      ARG  41   8.866  13.976   4.479
  285   2HH2  ARG  41          2HH2      ARG  41  10.417  13.205   4.498
  286    H    ILE  42           H        ILE  42   3.311  10.513  -0.278
  287    HA   ILE  42           HA       ILE  42   3.545  13.246  -1.166
  288    HB   ILE  42           HB       ILE  42   5.579  12.185  -2.623
  289   1HG1  ILE  42          1HG1      ILE  42   7.159  11.146  -1.033
  290   2HG1  ILE  42          2HG1      ILE  42   5.909  11.115   0.195
  291   1HG2  ILE  42          1HG2      ILE  42   5.244  14.125  -0.473
  292   2HG2  ILE  42          2HG2      ILE  42   6.880  13.426  -0.515
  293   3HG2  ILE  42          3HG2      ILE  42   6.212  14.215  -1.964
  294   1HD1  ILE  42          1HD1      ILE  42   5.174   9.912  -2.447
  295   2HD1  ILE  42          2HD1      ILE  42   6.378   9.030  -1.477
  296   3HD1  ILE  42          3HD1      ILE  42   4.768   9.373  -0.800
  297    HA   PRO  43           HA       PRO  43   1.146  11.340  -4.230
  298   1HB   PRO  43          1HB       PRO  43   0.775  13.496  -5.868
  299   2HB   PRO  43          2HB       PRO  43  -0.189  13.204  -4.434
  300   1HG   PRO  43          1HG       PRO  43   1.975  15.176  -4.841
  301   2HG   PRO  43          2HG       PRO  43   0.735  15.147  -3.603
  302   1HD   PRO  43          1HD       PRO  43   3.490  14.412  -3.291
  303   2HD   PRO  43          2HD       PRO  43   2.225  14.273  -2.086
  304    H    GLY  44           H        GLY  44   4.017  13.124  -5.063
  305   1HA   GLY  44          1HA       GLY  44   5.671  12.561  -6.495
  306   2HA   GLY  44          2HA       GLY  44   4.379  12.533  -7.679
  307    H    VAL  45           H        VAL  45   4.432  10.268  -4.924
  308    HA   VAL  45           HA       VAL  45   5.324   8.153  -6.749
  309    HB   VAL  45           HB       VAL  45   6.290   7.110  -4.989
  310   1HG1  VAL  45          1HG1      VAL  45   6.197  10.024  -4.167
  311   2HG1  VAL  45          2HG1      VAL  45   7.211   8.816  -3.342
  312   3HG1  VAL  45          3HG1      VAL  45   7.474   9.169  -5.066
  313   1HG2  VAL  45          1HG2      VAL  45   4.046   8.250  -3.335
  314   2HG2  VAL  45          2HG2      VAL  45   4.509   6.552  -3.599
  315   3HG2  VAL  45          3HG2      VAL  45   5.502   7.592  -2.551
  316    HA   PRO  46           HA       PRO  46   1.470   6.207  -6.480
  317   1HB   PRO  46          1HB       PRO  46   2.015   3.548  -6.163
  318   2HB   PRO  46          2HB       PRO  46   2.148   4.377  -7.701
  319   1HG   PRO  46          1HG       PRO  46   4.302   3.487  -5.883
  320   2HG   PRO  46          2HG       PRO  46   4.405   3.919  -7.578
  321   1HD   PRO  46          1HD       PRO  46   5.220   5.525  -5.345
  322   2HD   PRO  46          2HD       PRO  46   5.214   6.000  -7.032
  323    H    TRP  47           H        TRP  47   0.622   7.302  -4.673
  324    HA   TRP  47           HA       TRP  47   1.003   6.932  -2.115
  325   1HB   TRP  47          1HB       TRP  47  -1.513   7.207  -3.687
  326   2HB   TRP  47          2HB       TRP  47  -1.655   6.847  -1.978
  327    HD1  TRP  47           HD1      TRP  47   1.203   9.143  -3.146
  328    HE1  TRP  47           HE1      TRP  47   0.861  11.616  -2.290
  329    HE3  TRP  47           HE3      TRP  47  -3.491   8.422  -1.329
  330    HZ2  TRP  47           HZ2      TRP  47  -1.287  12.962  -0.979
  331    HZ3  TRP  47           HZ3      TRP  47  -4.640  10.367  -0.276
  332    HH2  TRP  47           HH2      TRP  47  -3.614  12.577  -0.086
  333    H    CYS  48           H        CYS  48  -1.076   4.671  -4.074
  334    HA   CYS  48           HA       CYS  48  -0.884   2.740  -1.925
  335   1HB   CYS  48          1HB       CYS  48  -3.022   3.348  -3.239
  336   2HB   CYS  48          2HB       CYS  48  -2.357   2.356  -4.522
  337    H    PHE  49           H        PHE  49   0.920   1.441  -1.929
  338    HA   PHE  49           HA       PHE  49   1.811   0.443  -4.534
  339   1HB   PHE  49          1HB       PHE  49   4.166   0.626  -3.405
  340   2HB   PHE  49          2HB       PHE  49   3.433   2.135  -3.913
  341    HD1  PHE  49           HD1      PHE  49   3.686  -0.078  -0.921
  342    HD2  PHE  49           HD2      PHE  49   3.284   3.880  -2.398
  343    HE1  PHE  49           HE1      PHE  49   3.907   0.816   1.414
  344    HE2  PHE  49           HE2      PHE  49   3.504   4.774  -0.062
  345    HZ   PHE  49           HZ       PHE  49   3.814   3.231   1.816
  346    H    LYS  50           H        LYS  50   3.262  -1.552  -4.269
  347    HA   LYS  50           HA       LYS  50   1.892  -3.439  -2.720
  348   1HB   LYS  50          1HB       LYS  50   4.637  -3.682  -3.985
  349   2HB   LYS  50          2HB       LYS  50   3.583  -4.997  -3.506
  350   1HG   LYS  50          1HG       LYS  50   1.817  -3.892  -5.102
  351   2HG   LYS  50          2HG       LYS  50   3.172  -2.990  -5.752
  352   1HD   LYS  50          1HD       LYS  50   3.145  -4.870  -7.158
  353   2HD   LYS  50          2HD       LYS  50   4.341  -5.343  -5.968
  354   1HE   LYS  50          1HE       LYS  50   2.867  -6.840  -4.876
  355   2HE   LYS  50          2HE       LYS  50   1.433  -6.030  -5.474
  356   1HZ   LYS  50          1HZ       LYS  50   2.734  -6.833  -7.709
  357   2HZ   LYS  50          2HZ       LYS  50   2.945  -8.086  -6.684
  358   3HZ   LYS  50          3HZ       LYS  50   1.438  -7.567  -7.038
  359    HA   PRO  51           HA       PRO  51   3.963  -3.307   1.063
  360   1HB   PRO  51          1HB       PRO  51   4.037  -5.921   1.857
  361   2HB   PRO  51          2HB       PRO  51   2.604  -4.920   1.987
  362   1HG   PRO  51          1HG       PRO  51   3.194  -7.068   0.044
  363   2HG   PRO  51          2HG       PRO  51   1.646  -6.361   0.462
  364   1HD   PRO  51          1HD       PRO  51   3.188  -5.842  -1.901
  365   2HD   PRO  51          2HD       PRO  51   1.698  -5.051  -1.426
  366    H    LEU  52           H        LEU  52   5.966  -2.774   1.653
  367    HA   LEU  52           HA       LEU  52   8.124  -3.228   0.154
  368   1HB   LEU  52          1HB       LEU  52   8.440  -1.752   1.867
  369   2HB   LEU  52          2HB       LEU  52   7.714  -2.799   3.070
  370    HG   LEU  52           HG       LEU  52  10.402  -3.389   1.817
  371   1HD1  LEU  52          1HD1      LEU  52   9.759  -1.703   4.242
  372   2HD1  LEU  52          2HD1      LEU  52  11.350  -2.451   3.967
  373   3HD1  LEU  52          3HD1      LEU  52  10.714  -1.261   2.807
  374   1HD2  LEU  52          1HD2      LEU  52   8.701  -4.889   3.480
  375   2HD2  LEU  52          2HD2      LEU  52  10.393  -5.235   3.047
  376   3HD2  LEU  52          3HD2      LEU  52  10.023  -4.311   4.523
  377    H    GLN  53           H        GLN  53   9.714  -4.799  -0.172
  378    HA   GLN  53           HA       GLN  53   8.856  -7.420   0.086
  379   1HB   GLN  53          1HB       GLN  53  11.272  -5.998  -0.878
  380   2HB   GLN  53          2HB       GLN  53  11.597  -7.619  -0.297
  381   1HG   GLN  53          1HG       GLN  53  10.935  -8.295  -2.375
  382   2HG   GLN  53          2HG       GLN  53   9.306  -8.051  -1.778
  383   2HE2  GLN  53          2HE2      GLN  53   8.807  -5.510  -1.709
  384   1HE2  GLN  53          1HE2      GLN  53   9.012  -4.710  -3.232
  385    H    GLU  54           H        GLU  54   8.292  -7.636   2.376
  386    HA   GLU  54           HA       GLU  54  10.018  -7.162   4.436
  387   1HB   GLU  54          1HB       GLU  54   8.580  -8.624   5.761
  388   2HB   GLU  54          2HB       GLU  54   7.588  -7.694   4.656
  389   1HG   GLU  54          1HG       GLU  54   8.167  -9.931   3.120
  390   2HG   GLU  54          2HG       GLU  54   8.101 -10.623   4.729
  391    H    ALA  55           H        ALA  55  12.134  -7.856   4.438
  392    HA   ALA  55           HA       ALA  55  12.566 -10.702   4.572
  393   1HB   ALA  55          1HB       ALA  55  13.017 -10.837   2.348
  394   2HB   ALA  55          2HB       ALA  55  14.559 -10.071   2.799
  395   3HB   ALA  55          3HB       ALA  55  13.218  -9.076   2.181
  396    H    GLU  56           H        GLU  56  14.159  -7.456   4.202
  397    HA   GLU  56           HA       GLU  56  16.128  -8.299   6.128
  398   1HB   GLU  56          1HB       GLU  56  16.271  -6.709   3.878
  399   2HB   GLU  56          2HB       GLU  56  16.175  -5.494   5.137
  400   1HG   GLU  56          1HG       GLU  56  18.342  -5.853   5.690
  401   2HG   GLU  56          2HG       GLU  56  18.000  -7.536   6.040
  402    H    CYS  57           H        CYS  57  16.773  -6.103   7.595
  403    HA   CYS  57           HA       CYS  57  16.222  -4.890   9.338
  404   1HB   CYS  57          1HB       CYS  57  14.155  -4.298   7.444
  405   2HB   CYS  57          2HB       CYS  57  13.452  -4.330   9.049
  406    H    THR  58           H        THR  58  15.563  -5.375  11.478
  407    HA   THR  58           HA       THR  58  13.607  -7.550  11.762
  408    HB   THR  58           HB       THR  58  16.436  -7.334  12.897
  409    HG1  THR  58           HG1      THR  58  15.820  -8.372  10.759
  410   1HG2  THR  58          1HG2      THR  58  14.427  -8.148  14.516
  411   2HG2  THR  58          2HG2      THR  58  14.585  -9.629  13.541
  412   3HG2  THR  58          3HG2      THR  58  15.980  -9.017  14.461
  413    H    PHE  59           H        PHE  59  15.656  -5.372  13.822
  414    HA   PHE  59           HA       PHE  59  14.118  -5.157  15.968
  415   1HB   PHE  59          1HB       PHE  59  15.867  -3.355  14.333
  416   2HB   PHE  59          2HB       PHE  59  14.800  -2.481  15.414
  417    HD1  PHE  59           HD1      PHE  59  14.980  -2.802  17.859
  418    HD2  PHE  59           HD2      PHE  59  17.717  -4.627  15.178
  419    HE1  PHE  59           HE1      PHE  59  16.567  -3.217  19.760
  420    HE2  PHE  59           HE2      PHE  59  19.303  -5.041  17.078
  421    HZ   PHE  59           HZ       PHE  59  18.709  -4.332  19.347

  No H/Q in entry =         421
  Start of MODEL   32
    1    H    GLU   1           H        GLU   1   7.988 -13.152  21.791
    2    HA   GLU   1           HA       GLU   1   6.396 -13.478  20.173
    3   1HB   GLU   1          1HB       GLU   1   6.877 -10.967  21.115
    4   2HB   GLU   1          2HB       GLU   1   7.020 -10.656  19.397
    5   1HG   GLU   1          1HG       GLU   1   4.777 -10.919  19.041
    6   2HG   GLU   1          2HG       GLU   1   4.697 -12.365  20.028
    7    H    GLU   2           H        GLU   2   5.674 -12.871  17.804
    8    HA   GLU   2           HA       GLU   2   7.896 -13.659  16.132
    9   1HB   GLU   2          1HB       GLU   2   5.473 -14.738  16.228
   10   2HB   GLU   2          2HB       GLU   2   5.043 -13.416  15.161
   11   1HG   GLU   2          1HG       GLU   2   6.877 -14.092  13.591
   12   2HG   GLU   2          2HG       GLU   2   7.294 -15.420  14.656
   13    H    TYR   3           H        TYR   3   8.776 -12.359  14.528
   14    HA   TYR   3           HA       TYR   3   8.403  -9.606  14.674
   15   1HB   TYR   3          1HB       TYR   3  10.446 -10.548  13.762
   16   2HB   TYR   3          2HB       TYR   3   9.567 -11.658  12.729
   17    HD1  TYR   3           HD1      TYR   3   9.397  -7.927  13.149
   18    HD2  TYR   3           HD2      TYR   3  10.087 -11.224  10.511
   19    HE1  TYR   3           HE1      TYR   3   9.652  -6.320  11.196
   20    HE2  TYR   3           HE2      TYR   3  10.340  -9.605   8.566
   21    HH   TYR   3           HH       TYR   3   9.581  -7.345   7.998
   22    H    VAL   4           H        VAL   4   6.280  -8.872  14.408
   23    HA   VAL   4           HA       VAL   4   5.282  -9.134  11.672
   24    HB   VAL   4           HB       VAL   4   2.957  -9.213  12.819
   25   1HG1  VAL   4          1HG1      VAL   4   4.862 -11.553  12.571
   26   2HG1  VAL   4          2HG1      VAL   4   3.135 -11.757  12.952
   27   3HG1  VAL   4          3HG1      VAL   4   3.624 -11.002  11.417
   28   1HG2  VAL   4          1HG2      VAL   4   4.471  -9.147  15.123
   29   2HG2  VAL   4          2HG2      VAL   4   2.778  -9.682  15.009
   30   3HG2  VAL   4          3HG2      VAL   4   4.094 -10.879  14.956
   31    H    GLY   5           H        GLY   5   4.008  -7.312  10.966
   32   1HA   GLY   5          1HA       GLY   5   4.916  -4.839  11.927
   33   2HA   GLY   5          2HA       GLY   5   3.334  -5.144  12.618
   34    H    LEU   6           H        LEU   6   1.458  -5.331  11.237
   35    HA   LEU   6           HA       LEU   6   1.894  -4.849   8.407
   36   1HB   LEU   6          1HB       LEU   6  -0.609  -5.154   8.337
   37   2HB   LEU   6          2HB       LEU   6   0.359  -6.549   8.773
   38    HG   LEU   6           HG       LEU   6  -1.821  -6.076  10.071
   39   1HD1  LEU   6          1HD1      LEU   6   0.734  -7.166  10.886
   40   2HD1  LEU   6          2HD1      LEU   6  -0.165  -6.527  12.283
   41   3HD1  LEU   6          3HD1      LEU   6  -0.915  -7.745  11.223
   42   1HD2  LEU   6          1HD2      LEU   6  -1.148  -3.637  10.443
   43   2HD2  LEU   6          2HD2      LEU   6  -1.818  -4.527  11.832
   44   3HD2  LEU   6          3HD2      LEU   6  -0.063  -4.254  11.711
   45    H    SER   7           H        SER   7   0.833  -3.074   7.274
   46    HA   SER   7           HA       SER   7   0.256  -1.001   6.991
   47   1HB   SER   7          1HB       SER   7  -1.338  -0.001   8.379
   48   2HB   SER   7          2HB       SER   7  -1.524  -1.693   8.795
   49    HG   SER   7           HG       SER   7  -0.902  -1.269  10.797
   50    H    ALA   8           H        ALA   8   2.924  -1.397   7.371
   51    HA   ALA   8           HA       ALA   8   3.965   1.028   7.945
   52   1HB   ALA   8          1HB       ALA   8   3.431  -0.553  10.415
   53   2HB   ALA   8          2HB       ALA   8   5.034   0.212  10.302
   54   3HB   ALA   8          3HB       ALA   8   3.564   1.208  10.189
   55    H    ASN   9           H        ASN   9   5.265  -1.852   9.640
   56    HA   ASN   9           HA       ASN   9   7.687  -1.791   8.521
   57   1HB   ASN   9          1HB       ASN   9   6.231  -3.583  10.143
   58   2HB   ASN   9          2HB       ASN   9   6.710  -4.576   8.780
   59   2HD2  ASN   9          2HD2      ASN   9   8.978  -4.544   8.136
   60   1HD2  ASN   9          1HD2      ASN   9  10.212  -4.388   9.341
   61    H    GLN  10           H        GLN  10   4.629  -2.813   7.084
   62    HA   GLN  10           HA       GLN  10   5.998  -4.130   4.904
   63   1HB   GLN  10          1HB       GLN  10   3.005  -3.798   4.994
   64   2HB   GLN  10          2HB       GLN  10   3.952  -5.135   4.373
   65   1HG   GLN  10          1HG       GLN  10   3.995  -4.483   7.339
   66   2HG   GLN  10          2HG       GLN  10   2.676  -5.417   6.662
   67   2HE2  GLN  10          2HE2      GLN  10   6.178  -5.235   7.026
   68   1HE2  GLN  10          1HE2      GLN  10   6.516  -6.930   6.908
   69    H    CYS  11           H        CYS  11   4.266  -1.154   5.756
   70    HA   CYS  11           HA       CYS  11   4.510  -0.304   2.963
   71   1HB   CYS  11          1HB       CYS  11   2.800   1.262   4.800
   72   2HB   CYS  11          2HB       CYS  11   2.587   0.876   3.104
   73    H    ALA  12           H        ALA  12   6.807  -0.362   4.603
   74    HA   ALA  12           HA       ALA  12   7.094   2.445   5.424
   75   1HB   ALA  12          1HB       ALA  12   9.237   1.220   6.521
   76   2HB   ALA  12          2HB       ALA  12   7.658   1.314   7.337
   77   3HB   ALA  12          3HB       ALA  12   8.119  -0.163   6.459
   78    H    VAL  13           H        VAL  13   7.099   1.989   2.692
   79    HA   VAL  13           HA       VAL  13   9.837   1.552   1.873
   80    HB   VAL  13           HB       VAL  13   7.836   2.535  -0.056
   81   1HG1  VAL  13          1HG1      VAL  13  10.110   0.661   0.080
   82   2HG1  VAL  13          2HG1      VAL  13   8.762   0.115  -0.946
   83   3HG1  VAL  13          3HG1      VAL  13   9.541   1.684  -1.260
   84   1HG2  VAL  13          1HG2      VAL  13   7.355   0.089   1.630
   85   2HG2  VAL  13          2HG2      VAL  13   6.204   1.326   1.068
   86   3HG2  VAL  13          3HG2      VAL  13   6.840   0.118  -0.074
   87    HA   PRO  14           HA       PRO  14  10.865   5.750   1.839
   88   1HB   PRO  14          1HB       PRO  14  12.955   5.760   0.078
   89   2HB   PRO  14          2HB       PRO  14  13.115   5.271   1.753
   90   1HG   PRO  14          1HG       PRO  14  13.048   3.582  -0.673
   91   2HG   PRO  14          2HG       PRO  14  13.623   3.176   0.932
   92   1HD   PRO  14          1HD       PRO  14  11.135   2.379  -0.253
   93   2HD   PRO  14          2HD       PRO  14  11.659   2.071   1.391
   94    H    ALA  15           H        ALA  15   9.241   4.316  -0.568
   95    HA   ALA  15           HA       ALA  15   7.795   5.344  -1.969
   96   1HB   ALA  15          1HB       ALA  15   9.376   7.885  -2.144
   97   2HB   ALA  15          2HB       ALA  15   7.613   7.636  -2.122
   98   3HB   ALA  15          3HB       ALA  15   8.546   7.527  -0.610
   99    H    LYS  16           H        LYS  16  11.261   5.157  -2.154
  100    HA   LYS  16           HA       LYS  16  11.222   5.409  -5.056
  101   1HB   LYS  16          1HB       LYS  16  13.675   5.310  -4.855
  102   2HB   LYS  16          2HB       LYS  16  12.978   6.608  -3.907
  103   1HG   LYS  16          1HG       LYS  16  14.659   5.481  -2.546
  104   2HG   LYS  16          2HG       LYS  16  13.082   5.143  -1.862
  105   1HD   LYS  16          1HD       LYS  16  13.090   2.904  -2.572
  106   2HD   LYS  16          2HD       LYS  16  14.171   3.218  -3.914
  107   1HE   LYS  16          1HE       LYS  16  16.071   3.540  -2.344
  108   2HE   LYS  16          2HE       LYS  16  15.002   3.315  -0.974
  109   1HZ   LYS  16          1HZ       LYS  16  14.545   1.139  -2.487
  110   2HZ   LYS  16          2HZ       LYS  16  16.150   1.365  -2.686
  111   3HZ   LYS  16          3HZ       LYS  16  15.530   1.192  -1.185
  112    H    ASP  17           H        ASP  17  10.136   3.139  -3.084
  113    HA   ASP  17           HA       ASP  17  11.261   1.032  -4.743
  114   1HB   ASP  17          1HB       ASP  17  11.475   1.329  -1.868
  115   2HB   ASP  17          2HB       ASP  17  10.463  -0.062  -2.202
  116    H    ARG  18           H        ARG  18   8.689   2.825  -4.474
  117    HA   ARG  18           HA       ARG  18   6.682   1.026  -3.647
  118   1HB   ARG  18          1HB       ARG  18   6.306   3.497  -5.400
  119   2HB   ARG  18          2HB       ARG  18   5.125   2.771  -4.328
  120   1HG   ARG  18          1HG       ARG  18   7.750   4.042  -3.413
  121   2HG   ARG  18          2HG       ARG  18   6.189   4.837  -3.363
  122   1HD   ARG  18          1HD       ARG  18   5.419   2.735  -1.966
  123   2HD   ARG  18          2HD       ARG  18   7.133   2.444  -1.745
  124    HE   ARG  18           HE       ARG  18   7.136   4.165  -0.179
  125   1HH1  ARG  18          1HH1      ARG  18   4.540   4.769  -2.477
  126   2HH1  ARG  18          2HH1      ARG  18   3.986   6.198  -1.670
  127   1HH2  ARG  18          1HH2      ARG  18   6.405   6.050   0.885
  128   2HH2  ARG  18          2HH2      ARG  18   5.054   6.932   0.255
  129    H    VAL  19           H        VAL  19   5.892  -0.677  -4.845
  130    HA   VAL  19           HA       VAL  19   6.592  -0.842  -7.634
  131    HB   VAL  19           HB       VAL  19   4.866  -2.779  -6.122
  132   1HG1  VAL  19          1HG1      VAL  19   6.699  -2.855  -8.498
  133   2HG1  VAL  19          2HG1      VAL  19   6.453  -4.334  -7.539
  134   3HG1  VAL  19          3HG1      VAL  19   5.062  -3.523  -8.298
  135   1HG2  VAL  19          1HG2      VAL  19   7.767  -2.175  -5.672
  136   2HG2  VAL  19          2HG2      VAL  19   6.508  -2.668  -4.514
  137   3HG2  VAL  19          3HG2      VAL  19   7.225  -3.870  -5.614
  138    H    ASP  20           H        ASP  20   4.135   0.630  -5.825
  139    HA   ASP  20           HA       ASP  20   2.192   1.461  -6.306
  140   1HB   ASP  20          1HB       ASP  20   3.124   2.576  -8.197
  141   2HB   ASP  20          2HB       ASP  20   3.307   1.086  -9.101
  142    H    CYS  21           H        CYS  21   0.455   0.147  -5.711
  143    HA   CYS  21           HA       CYS  21   0.132  -2.426  -6.887
  144   1HB   CYS  21          1HB       CYS  21  -0.507  -1.363  -4.475
  145   2HB   CYS  21          2HB       CYS  21  -2.066  -1.280  -5.270
  146    H    GLY  22           H        GLY  22  -0.852   0.847  -7.566
  147   1HA   GLY  22          1HA       GLY  22  -2.178   0.129  -9.956
  148   2HA   GLY  22          2HA       GLY  22  -2.095   1.720  -9.226
  149    H    TYR  23           H        TYR  23  -3.762   2.449  -7.794
  150    HA   TYR  23           HA       TYR  23  -6.213   0.876  -8.046
  151   1HB   TYR  23          1HB       TYR  23  -4.664   1.808  -5.599
  152   2HB   TYR  23          2HB       TYR  23  -6.412   1.896  -5.503
  153    HD1  TYR  23           HD1      TYR  23  -7.658  -0.356  -6.289
  154    HD2  TYR  23           HD2      TYR  23  -3.633  -0.134  -4.856
  155    HE1  TYR  23           HE1      TYR  23  -7.741  -2.816  -5.653
  156    HE2  TYR  23           HE2      TYR  23  -3.730  -2.596  -4.225
  157    HH   TYR  23           HH       TYR  23  -5.746  -4.210  -3.584
  158    HA   PRO  24           HA       PRO  24  -7.846   4.807  -8.838
  159   1HB   PRO  24          1HB       PRO  24 -10.516   4.309  -8.539
  160   2HB   PRO  24          2HB       PRO  24  -9.624   3.910  -9.993
  161   1HG   PRO  24          1HG       PRO  24 -10.590   2.108  -7.858
  162   2HG   PRO  24          2HG       PRO  24 -10.088   1.708  -9.488
  163   1HD   PRO  24          1HD       PRO  24  -8.577   1.315  -7.082
  164   2HD   PRO  24          2HD       PRO  24  -8.031   1.023  -8.722
  165    H    HIS  25           H        HIS  25 -10.090   3.651  -6.385
  166    HA   HIS  25           HA       HIS  25  -9.701   6.166  -5.023
  167   1HB   HIS  25          1HB       HIS  25 -11.633   5.565  -3.738
  168   2HB   HIS  25          2HB       HIS  25 -11.963   5.261  -5.431
  169    HD1  HIS  25           HD1      HIS  25 -13.745   3.807  -3.523
  170    HD2  HIS  25           HD2      HIS  25 -10.055   2.235  -4.750
  171    HE1  HIS  25           HE1      HIS  25 -13.882   1.286  -3.150
  172    HE2  HIS  25           HE2      HIS  25 -11.607   0.369  -3.973
  173    H    VAL  26           H        VAL  26  -7.498   5.898  -4.302
  174    HA   VAL  26           HA       VAL  26  -7.064   3.711  -2.423
  175    HB   VAL  26           HB       VAL  26  -4.712   4.502  -2.517
  176   1HG1  VAL  26          1HG1      VAL  26  -6.054   3.825  -5.154
  177   2HG1  VAL  26          2HG1      VAL  26  -4.299   3.754  -4.866
  178   3HG1  VAL  26          3HG1      VAL  26  -5.394   2.687  -3.956
  179   1HG2  VAL  26          1HG2      VAL  26  -5.695   6.878  -3.382
  180   2HG2  VAL  26          2HG2      VAL  26  -4.015   6.345  -3.635
  181   3HG2  VAL  26          3HG2      VAL  26  -5.217   6.147  -4.933
  182    H    THR  27           H        THR  27  -6.849   4.006  -0.224
  183    HA   THR  27           HA       THR  27  -6.570   6.696   0.814
  184    HB   THR  27           HB       THR  27  -8.698   6.825   1.826
  185    HG1  THR  27           HG1      THR  27  -9.857   4.805   2.240
  186   1HG2  THR  27          1HG2      THR  27  -9.158   5.070  -0.643
  187   2HG2  THR  27          2HG2      THR  27 -10.447   5.923   0.238
  188   3HG2  THR  27          3HG2      THR  27  -9.180   6.849  -0.602
  189    HA   PRO  28           HA       PRO  28  -4.666   4.638   4.067
  190   1HB   PRO  28          1HB       PRO  28  -5.376   6.014   6.320
  191   2HB   PRO  28          2HB       PRO  28  -4.164   6.585   5.190
  192   1HG   PRO  28          1HG       PRO  28  -6.939   7.531   5.565
  193   2HG   PRO  28          2HG       PRO  28  -5.602   8.338   4.770
  194   1HD   PRO  28          1HD       PRO  28  -7.806   7.012   3.501
  195   2HD   PRO  28          2HD       PRO  28  -6.411   7.717   2.709
  196    H    LYS  29           H        LYS  29  -7.004   3.334   3.203
  197    HA   LYS  29           HA       LYS  29  -7.263   1.500   5.270
  198   1HB   LYS  29          1HB       LYS  29  -8.534   3.599   6.189
  199   2HB   LYS  29          2HB       LYS  29  -9.801   3.104   5.085
  200   1HG   LYS  29          1HG       LYS  29  -8.539   1.098   6.988
  201   2HG   LYS  29          2HG       LYS  29  -9.823   2.159   7.534
  202   1HD   LYS  29          1HD       LYS  29 -11.319   1.317   5.738
  203   2HD   LYS  29          2HD       LYS  29 -10.032   0.306   5.113
  204   1HE   LYS  29          1HE       LYS  29 -10.177  -0.350   7.867
  205   2HE   LYS  29          2HE       LYS  29 -11.848  -0.192   7.363
  206   1HZ   LYS  29          1HZ       LYS  29 -10.633  -1.560   5.352
  207   2HZ   LYS  29          2HZ       LYS  29  -9.990  -2.204   6.709
  208   3HZ   LYS  29          3HZ       LYS  29 -11.610  -2.190   6.500
  209    H    GLU  30           H        GLU  30  -8.948   3.172   2.547
  210    HA   GLU  30           HA       GLU  30 -10.229   0.808   1.717
  211   1HB   GLU  30          1HB       GLU  30 -11.176   2.988   1.173
  212   2HB   GLU  30          2HB       GLU  30  -9.721   3.470   0.324
  213   1HG   GLU  30          1HG       GLU  30 -10.304   2.336  -1.578
  214   2HG   GLU  30          2HG       GLU  30 -10.842   0.925  -0.688
  215    H    CYS  31           H        CYS  31  -7.197   2.526   0.826
  216    HA   CYS  31           HA       CYS  31  -6.643   0.873  -1.389
  217   1HB   CYS  31          1HB       CYS  31  -5.530   2.858  -1.536
  218   2HB   CYS  31          2HB       CYS  31  -5.188   2.938   0.181
  219    H    ASN  32           H        ASN  32  -6.085   0.758   2.132
  220    HA   ASN  32           HA       ASN  32  -4.291  -1.466   1.846
  221   1HB   ASN  32          1HB       ASN  32  -3.574  -0.729   3.885
  222   2HB   ASN  32          2HB       ASN  32  -4.787   0.534   3.830
  223   2HD2  ASN  32          2HD2      ASN  32  -7.060  -0.211   4.365
  224   1HD2  ASN  32          1HD2      ASN  32  -7.253  -1.253   5.735
  225    H    ASN  33           H        ASN  33  -7.596  -0.993   1.648
  226    HA   ASN  33           HA       ASN  33  -8.284  -3.329   3.208
  227   1HB   ASN  33          1HB       ASN  33  -9.817  -1.489   3.536
  228   2HB   ASN  33          2HB       ASN  33  -9.898  -1.144   1.820
  229   2HD2  ASN  33          2HD2      ASN  33 -10.925  -2.669   0.411
  230   1HD2  ASN  33          1HD2      ASN  33 -12.210  -3.682   0.980
  231    H    ARG  34           H        ARG  34  -8.307  -1.939  -0.127
  232    HA   ARG  34           HA       ARG  34  -9.673  -3.946  -1.381
  233   1HB   ARG  34          1HB       ARG  34  -8.545  -1.602  -2.180
  234   2HB   ARG  34          2HB       ARG  34  -7.337  -2.699  -2.818
  235   1HG   ARG  34          1HG       ARG  34 -10.334  -2.896  -3.385
  236   2HG   ARG  34          2HG       ARG  34  -9.159  -2.181  -4.472
  237   1HD   ARG  34          1HD       ARG  34  -7.917  -4.529  -4.201
  238   2HD   ARG  34          2HD       ARG  34  -9.500  -5.090  -3.699
  239    HE   ARG  34           HE       ARG  34  -8.702  -4.374  -6.398
  240   1HH1  ARG  34          1HH1      ARG  34 -11.454  -4.435  -4.206
  241   2HH1  ARG  34          2HH1      ARG  34 -12.627  -4.528  -5.477
  242   1HH2  ARG  34          1HH2      ARG  34 -10.248  -4.497  -8.075
  243   2HH2  ARG  34          2HH2      ARG  34 -11.937  -4.564  -7.693
  244    H    GLY  35           H        GLY  35  -6.346  -3.795  -0.168
  245   1HA   GLY  35          1HA       GLY  35  -5.806  -6.446  -1.370
  246   2HA   GLY  35          2HA       GLY  35  -5.438  -6.050   0.297
  247    H    CYS  36           H        CYS  36  -3.935  -4.112   0.672
  248    HA   CYS  36           HA       CYS  36  -1.540  -4.513  -0.526
  249   1HB   CYS  36          1HB       CYS  36  -3.209  -3.177  -2.364
  250   2HB   CYS  36          2HB       CYS  36  -2.105  -1.962  -1.750
  251    H    CYS  37           H        CYS  37  -0.594  -1.727  -0.577
  252    HA   CYS  37           HA       CYS  37  -1.235  -0.974   2.183
  253   1HB   CYS  37          1HB       CYS  37   1.378  -1.258   0.782
  254   2HB   CYS  37          2HB       CYS  37   1.208   0.076   1.906
  255    H    PHE  38           H        PHE  38  -1.207   1.381   2.591
  256    HA   PHE  38           HA       PHE  38  -1.553   2.911   0.108
  257   1HB   PHE  38          1HB       PHE  38  -3.669   2.597   1.357
  258   2HB   PHE  38          2HB       PHE  38  -2.885   2.987   2.875
  259    HD1  PHE  38           HD1      PHE  38  -4.085   4.400  -0.313
  260    HD2  PHE  38           HD2      PHE  38  -2.624   5.248   3.580
  261    HE1  PHE  38           HE1      PHE  38  -4.758   6.803  -0.584
  262    HE2  PHE  38           HE2      PHE  38  -3.297   7.651   3.309
  263    HZ   PHE  38           HZ       PHE  38  -4.356   8.400   1.230
  264    H    ASP  39           H        ASP  39  -1.373   5.420   0.661
  265    HA   ASP  39           HA       ASP  39   0.217   6.189   2.784
  266   1HB   ASP  39          1HB       ASP  39   2.038   4.960   1.722
  267   2HB   ASP  39          2HB       ASP  39   1.677   5.665   0.159
  268    H    SER  40           H        SER  40   0.458   8.540   2.734
  269    HA   SER  40           HA       SER  40  -0.448   9.795   0.276
  270   1HB   SER  40          1HB       SER  40  -1.922  11.313   1.537
  271   2HB   SER  40          2HB       SER  40  -2.405   9.647   1.783
  272    HG   SER  40           HG       SER  40  -2.324  10.955   3.770
  273    H    ARG  41           H        ARG  41   2.116   9.342   2.076
  274    HA   ARG  41           HA       ARG