*HEADER    PEROXISOME                              09-JAN-09   2W85
*TITLE     STRUCTURE OF PEX14 IN COMPEX WITH PEX19
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: PEX14;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN;
*COMPND   5 ENGINEERED: YES;
*COMPND   6 MOL_ID: 2;
*COMPND   7 MOLECULE: PEX19;
*COMPND   8 CHAIN: B;
*COMPND   9 FRAGMENT: F/YFXXXF MOTIF
*SOURCE    MOL_ID: 1;
*SOURCE   2 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   3 EXPRESSION_SYSTEM_STRAIN: BL21(DE 3);
*SOURCE   4 EXPRESSION_SYSTEM_VECTOR: PLASMID;
*SOURCE   5 EXPRESSION_SYSTEM_PLASMID: PETM11_MOD;
*SOURCE   6 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE   7 ORGANISM_COMMON: HUMAN;
*SOURCE   8 MOL_ID: 2;
*SOURCE   9 SYNTHETIC: YES;
*SOURCE  10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE  11 ORGANISM_COMMON: HUMAN
*KEYWDS    PEROXISOME, PEX14, PEX19, PROTEIN COMPLEX, PEROXISOME
*KEYWDS   2 IMPORT, PEROXISOME TARGETING SIGNAL, PTS, RECEPTOR-CARGO
*KEYWDS   3 COMPLEX
*EXPDTA    SOLUTION NMR
*AUTHOR    C.NEUFELD,F.V.FILIPP,B.SIMON,A.NEUHAUS,N.SCHUELLER,C.DAVID,
*AUTHOR   2 H.KOOSHAPUR,T.MADL,R.ERDMANN,W.SCHLIEBS,M.WILMANNS,
*AUTHOR   3 M.SATTLER




 ASSI {    3}
   (( segid "PX14" and resid 21   and name HN  ))
   (( segid "PX14" and resid 20   and name HN  ))
      5.300     5.300     0.700 peak     3 spectrum    1 weight  0.11000E+01 volume  0.53347E-04 ppm1      8.315 ppm2      8.605 CV     1
 ASSI {    5}
   (( segid "PX14" and resid 21   and name HN  ))
   (( segid "PX14" and resid 22   and name HN  ))
      4.300     2.400     1.700 peak     5 spectrum    1 weight  0.11000E+01 volume  0.18403E-03 ppm1      8.318 ppm2      8.035 CV     1
 ASSI {    9}
   (( segid "PX14" and resid 23   and name HN  ))
   (( segid "PX14" and resid 22   and name HN  ))
      3.000     1.200     1.200 peak     9 spectrum    1 weight  0.11000E+01 volume  0.15620E-02 ppm1      8.204 ppm2      8.059 CV     1
 ASSI {   15}
   (( segid "PX14" and resid 26   and name HN  ))
   (( segid "PX14" and resid 25   and name HN  ))
      4.400     2.400     1.600 peak    15 spectrum    1 weight  0.11000E+01 volume  0.28836E-03 ppm1      8.789 ppm2      9.531 CV     1
 ASSI {   18}
   (( segid "PX14" and resid 28   and name HN  ))
   (( segid "PX14" and resid 29   and name HN  ))
      3.000     1.100     1.100 peak    18 spectrum    1 weight  0.11000E+01 volume  0.13783E-02 ppm1      6.713 ppm2      7.821 CV     1
 ASSI {   19}
   (( segid "PX14" and resid 28   and name HN  ))
   (( segid "PX14" and resid 30   and name HN  ))
      4.700     2.800     1.300 peak    19 spectrum    1 weight  0.11000E+01 volume  0.15312E-03 ppm1      6.712 ppm2      8.140 CV     1
 ASSI {   20}
   (( segid "PX14" and resid 26   and name HN  ))
   (( segid "PX14" and resid 29   and name HN  ))
      6.000     5.700     0.000 peak    20 spectrum    1 weight  0.11000E+01 volume  0.19185E-04 ppm1      8.787 ppm2      7.794 CV     1
 ASSI {   21}
   (( segid "PX14" and resid 26   and name HN  ))
   (( segid "PX14" and resid 28   and name HN  ))
      5.100     3.200     0.900 peak    21 spectrum    1 weight  0.11000E+01 volume  0.12866E-03 ppm1      8.787 ppm2      6.715 CV     1
 ASSI {   24}
   (( segid "PX14" and resid 29   and name HN  ))
   (( segid "PX14" and resid 30   and name HN  ))
      3.000     1.100     1.100 peak    24 spectrum    1 weight  0.11000E+01 volume  0.15653E-02 ppm1      7.821 ppm2      8.141 CV     1
 ASSI {   29}
   (( segid "PX14" and resid 31   and name HN  ))
   (( segid "PX14" and resid 29   and name HN  ))
      2.000     2.000     4.000 peak    29 spectrum    1 weight  0.11000E+01 volume  0.31304E-01 ppm1      7.804 ppm2      7.806 CV     1
 ASSI {   30}
   (( segid "PX14" and resid 31   and name HN  ))
   (( segid "PX14" and resid 33   and name HN  ))
      5.300     3.500     0.700 peak    30 spectrum    1 weight  0.11000E+01 volume  0.85300E-04 ppm1      7.804 ppm2      8.899 CV     1
 ASSI {   33}
   (( segid "PX14" and resid 32   and name HN  ))
   (( segid "PX14" and resid 31   and name HN  ))
      3.000     1.100     1.100 peak    33 spectrum    1 weight  0.11000E+01 volume  0.16317E-02 ppm1      8.204 ppm2      7.804 CV     1
 ASSI {   35}
   (( segid "PX14" and resid 33   and name HN  ))
   (( segid "PX14" and resid 32   and name HN  ))
      3.100     1.200     1.200 peak    35 spectrum    1 weight  0.11000E+01 volume  0.12896E-02 ppm1      8.899 ppm2      8.201 CV     1
 ASSI {   37}
   (( segid "PX14" and resid 33   and name HN  ))
   (( segid "PX14" and resid 34   and name HN  ))
      2.900     1.100     1.100 peak    37 spectrum    1 weight  0.11000E+01 volume  0.16594E-02 ppm1      8.899 ppm2      7.149 CV     1
 ASSI {   44}
   (( segid "PX14" and resid 35   and name HN  ))
   (( segid "PX14" and resid 34   and name HN  ))
      2.900     1.000     1.000 peak    44 spectrum    1 weight  0.11000E+01 volume  0.18165E-02 ppm1      7.620 ppm2      7.150 CV     1
 ASSI {   45}
   (( segid "PX14" and resid 36   and name HN  ))
   (( segid "PX14" and resid 34   and name HN  ))
      4.000     2.000     2.000 peak    45 spectrum    1 weight  0.11000E+01 volume  0.38151E-03 ppm1      8.354 ppm2      7.157 CV     1
 ASSI {   46}
   (( segid "PX14" and resid 36   and name HN  ))
   (( segid "PX14" and resid 35   and name HN  ))
      3.300     1.300     1.300 peak    46 spectrum    1 weight  0.11000E+01 volume  0.89258E-03 ppm1      8.355 ppm2      7.616 CV     1
 ASSI {   48}
   (( segid "PX14" and resid 36   and name HN  ))
   (( segid "PX14" and resid 37   and name HN  ))
      3.400     1.400     1.400 peak    48 spectrum    1 weight  0.11000E+01 volume  0.74746E-03 ppm1      8.355 ppm2      7.425 CV     1
 ASSI {   50}
   (( segid "PX14" and resid 37   and name HN  ))
   (( segid "PX14" and resid 38   and name HN  ))
      2.900     1.100     1.100 peak    50 spectrum    1 weight  0.11000E+01 volume  0.21928E-02 ppm1      7.425 ppm2      7.298 CV     1
 ASSI {   55}
   (( segid "PX14" and resid 39   and name HN  ))
   (( segid "PX14" and resid 43   and name HN  ))
      3.100     3.100     2.900 peak    55 spectrum    1 weight  0.11000E+01 volume  0.25155E-02 ppm1      7.838 ppm2      7.114 CV     1
 ASSI {   57}
   (( segid "PX14" and resid 41   and name HN  ))
   (( segid "PX14" and resid 42   and name HN  ))
      1.800     1.800     4.200 peak    57 spectrum    1 weight  0.11000E+01 volume  0.26134E-01 ppm1      7.934 ppm2      7.936 CV     1
 ASSI {   59}
   (( segid "PX14" and resid 42   and name HN  ))
   (( segid "PX14" and resid 38   and name HN  ))
      4.400     2.400     1.600 peak    59 spectrum    1 weight  0.11000E+01 volume  0.17949E-03 ppm1      7.989 ppm2      7.299 CV     1
 ASSI {   63}
   (( segid "PX14" and resid 43   and name HN  ))
   (( segid "PX14" and resid 42   and name HN  ))
      2.700     0.900     0.900 peak    63 spectrum    1 weight  0.11000E+01 volume  0.23711E-02 ppm1      7.113 ppm2      7.978 CV     1
 ASSI {   70}
   (( segid "PX14" and resid 48   and name HN  ))
   (( segid "PX14" and resid 47   and name HN  ))
      3.300     1.400     1.400 peak    70 spectrum    1 weight  0.11000E+01 volume  0.84549E-03 ppm1      7.310 ppm2      9.127 CV     1
 ASSI {   71}
   (( segid "PX14" and resid 48   and name HN  ))
   (( segid "PX14" and resid 49   and name HN  ))
      2.900     1.100     1.100 peak    71 spectrum    1 weight  0.11000E+01 volume  0.15864E-02 ppm1      7.310 ppm2      7.752 CV     1
 ASSI {   73}
   (( segid "PX14" and resid 48   and name HN  ))
   (( segid "PX14" and resid 52   and name HN  ))
      5.100     3.200     0.900 peak    73 spectrum    1 weight  0.11000E+01 volume  0.11214E-03 ppm1      7.315 ppm2      8.031 CV     1
 ASSI {   79}
   (( segid "PX14" and resid 50   and name HN  ))
   (( segid "PX14" and resid 52   and name HN  ))
      3.000     1.200     1.200 peak    79 spectrum    1 weight  0.11000E+01 volume  0.16903E-02 ppm1      8.502 ppm2      8.049 CV     1
 ASSI {   80}
   (( segid "PX14" and resid 50   and name HN  ))
   (( segid "PX14" and resid 49   and name HN  ))
      3.000     1.100     1.100 peak    80 spectrum    1 weight  0.11000E+01 volume  0.15170E-02 ppm1      8.502 ppm2      7.752 CV     1
 ASSI {   81}
   (( segid "PX14" and resid 50   and name HN  ))
   (( segid "PX14" and resid 48   and name HN  ))
      4.200     2.200     1.800 peak    81 spectrum    1 weight  0.11000E+01 volume  0.29411E-03 ppm1      8.504 ppm2      7.318 CV     1
 ASSI {   83}
   (( segid "PX14" and resid 50   and name HN  ))
   (  segid "PX14" and resid 52   and name HD% )
      4.800     4.800     1.200 peak    83 spectrum    1 weight  0.11000E+01 volume  0.18942E-03 ppm1      8.505 ppm2      6.776 CV     1
 ASSI {   87}
   (( segid "PX14" and resid 51   and name HN  ))
   (( segid "PX14" and resid 52   and name HN  ))
      2.800     1.000     1.000 peak    87 spectrum    1 weight  0.11000E+01 volume  0.21124E-02 ppm1      7.937 ppm2      8.048 CV     1
 ASSI {   90}
   (( segid "PX14" and resid 52   and name HN  ))
   (( segid "PX14" and resid 49   and name HN  ))
      3.900     1.900     1.900 peak    90 spectrum    1 weight  0.11000E+01 volume  0.42298E-03 ppm1      8.048 ppm2      7.756 CV     1
 ASSI {   91}
   (( segid "PX14" and resid 52   and name HN  ))
   (( segid "PX14" and resid 53   and name HN  ))
      3.900     1.900     1.900 peak    91 spectrum    1 weight  0.11000E+01 volume  0.36983E-03 ppm1      8.050 ppm2      7.418 CV     1
 ASSI {   93}
   (( segid "PX14" and resid 53   and name HN  ))
   (( segid "PX14" and resid 55   and name HN  ))
      5.300     3.600     0.700 peak    93 spectrum    1 weight  0.11000E+01 volume  0.62747E-04 ppm1      7.424 ppm2      7.729 CV     1
 ASSI {   94}
   (( segid "PX14" and resid 53   and name HN  ))
   (( segid "PX14" and resid 51   and name HN  ))
      3.400     1.400     1.400 peak    94 spectrum    1 weight  0.11000E+01 volume  0.14482E-02 ppm1      7.423 ppm2      7.936 CV     1
 ASSI {   95}
   (( segid "PX14" and resid 53   and name HN  ))
   (( segid "PX14" and resid 54   and name HN  ))
      2.900     1.000     1.000 peak    95 spectrum    1 weight  0.11000E+01 volume  0.16833E-02 ppm1      7.423 ppm2      8.129 CV     1
 ASSI {  100}
   (( segid "PX14" and resid 54   and name HN  ))
   (( segid "PX14" and resid 55   and name HN  ))
      3.000     1.200     1.200 peak   100 spectrum    1 weight  0.11000E+01 volume  0.13393E-02 ppm1      8.130 ppm2      7.729 CV     1
 ASSI {  106}
   (( segid "PX14" and resid 56   and name HN  ))
   (( segid "PX14" and resid 54   and name HN  ))
      5.400     3.600     0.600 peak   106 spectrum    1 weight  0.11000E+01 volume  0.62523E-04 ppm1      7.081 ppm2      8.130 CV     1
 ASSI {  107}
   (( segid "PX14" and resid 56   and name HN  ))
   (( segid "PX14" and resid 55   and name HN  ))
      2.900     1.000     1.000 peak   107 spectrum    1 weight  0.11000E+01 volume  0.17850E-02 ppm1      7.082 ppm2      7.729 CV     1
 ASSI {  108}
   (( segid "PX14" and resid 56   and name HN  ))
   (( segid "PX14" and resid 57   and name HN  ))
      2.700     0.900     0.900 peak   108 spectrum    1 weight  0.11000E+01 volume  0.24900E-02 ppm1      7.082 ppm2      7.483 CV     1
 ASSI {  113}
   (( segid "PX14" and resid 57   and name HN  ))
   (( segid "PX14" and resid 55   and name HN  ))
      5.800     4.200     0.200 peak   113 spectrum    1 weight  0.11000E+01 volume  0.50771E-04 ppm1      7.486 ppm2      7.718 CV     1
 ASSI {  114}
   (( segid "PX14" and resid 58   and name HN  ))
   (( segid "PX14" and resid 56   and name HN  ))
      4.400     2.500     1.600 peak   114 spectrum    1 weight  0.11000E+01 volume  0.31037E-03 ppm1      7.388 ppm2      7.084 CV     1
 ASSI {  116}
   (( segid "PX14" and resid 58   and name HN  ))
   (( segid "PX14" and resid 59   and name HN  ))
      5.000     3.200     1.000 peak   116 spectrum    1 weight  0.11000E+01 volume  0.12588E-03 ppm1      7.389 ppm2      9.170 CV     1
 ASSI {  121}
   (( segid "PX14" and resid 59   and name HN  ))
   (( segid "PX14" and resid 63   and name HN  ))
      5.500     3.800     0.500 peak   121 spectrum    1 weight  0.11000E+01 volume  0.67730E-04 ppm1      9.162 ppm2      8.534 CV     1
 ASSI {  123}
   (( segid "PX14" and resid 60   and name HN  ))
   (( segid "PX14" and resid 61   and name HN  ))
      3.100     1.200     1.200 peak   123 spectrum    1 weight  0.11000E+01 volume  0.12244E-02 ppm1      8.841 ppm2      8.358 CV     1
 ASSI {  125}
   (( segid "PX14" and resid 60   and name HN  ))
   (( segid "PX14" and resid 59   and name HN  ))
      6.000     6.000     0.000 peak   125 spectrum    1 weight  0.11000E+01 volume  0.16129E-04 ppm1      8.837 ppm2      9.164 CV     1
 ASSI {  129}
   (( segid "PX14" and resid 62   and name HN  ))
   (( segid "PX14" and resid 66   and name HN  ))
      2.300     2.300     3.700 peak   129 spectrum    1 weight  0.11000E+01 volume  0.15371E-01 ppm1      8.643 ppm2      8.634 CV     1
 ASSI {  136}
   (( segid "PX14" and resid 63   and name HN  ))
   (( segid "PX14" and resid 64   and name HN  ))
      4.400     2.400     1.600 peak   136 spectrum    1 weight  0.11000E+01 volume  0.15058E-03 ppm1      8.531 ppm2      8.069 CV     1
 ASSI {  140}
   (( segid "PX14" and resid 65   and name HN  ))
   (( segid "PX14" and resid 66   and name HN  ))
      3.200     3.200     2.800 peak   140 spectrum    1 weight  0.11000E+01 volume  0.95599E-03 ppm1      8.062 ppm2      8.561 CV     1
 ASSI {  141}
   (( segid "PX14" and resid 65   and name HN  ))
   (( segid "PX14" and resid 64   and name HN  ))
      2.200     0.600     0.600 peak   141 spectrum    1 weight  0.11000E+01 volume  0.97283E-02 ppm1      8.062 ppm2      8.063 CV     1
 ASSI {  143}
   (( segid "PX14" and resid 67   and name HN  ))
   (( segid "PX14" and resid 66   and name HN  ))
      3.200     3.200     2.800 peak   143 spectrum    1 weight  0.11000E+01 volume  0.92239E-03 ppm1      9.107 ppm2      8.566 CV     1
 ASSI {  150}
   (( segid "PX14" and resid 68   and name HN  ))
   (( segid "PX14" and resid 67   and name HN  ))
      3.200     1.200     1.200 peak   150 spectrum    1 weight  0.11000E+01 volume  0.10456E-02 ppm1      8.241 ppm2      9.107 CV     1
 ASSI {  151}
   (( segid "PX14" and resid 68   and name HN  ))
   (( segid "PX14" and resid 66   and name HN  ))
      3.300     1.400     1.400 peak   151 spectrum    1 weight  0.11000E+01 volume  0.11846E-02 ppm1      8.241 ppm2      8.640 CV     1
 ASSI {  157}
   (( segid "PX14" and resid 70   and name HN  ))
   (( segid "PX14" and resid 66   and name HN  ))
      2.700     2.700     3.300 peak   157 spectrum    1 weight  0.11000E+01 volume  0.20092E-02 ppm1      7.980 ppm2      8.644 CV     1
 ASSI {  158}
   (( segid "PX14" and resid 70   and name HN  ))
   (( segid "PX14" and resid 68   and name HN  ))
      4.600     2.600     1.400 peak   158 spectrum    1 weight  0.11000E+01 volume  0.16232E-03 ppm1      7.981 ppm2      8.228 CV     1
 ASSI {  160}
   (( segid "PX14" and resid 70   and name HN  ))
   (( segid "PX14" and resid 71   and name HN  ))
      3.200     1.300     1.300 peak   160 spectrum    1 weight  0.11000E+01 volume  0.98471E-03 ppm1      7.980 ppm2      7.624 CV     1
 ASSI {  166}
   (( segid "PX14" and resid 72   and name HN  ))
   (( segid "PX14" and resid 71   and name HN  ))
      3.400     1.400     1.400 peak   166 spectrum    1 weight  0.11000E+01 volume  0.83376E-03 ppm1      7.916 ppm2      7.626 CV     1
 ASSI {  167}
   (( segid "PX14" and resid 73   and name HN  ))
   (( segid "PX14" and resid 71   and name HN  ))
      5.400     3.600     0.600 peak   167 spectrum    1 weight  0.11000E+01 volume  0.30162E-04 ppm1      8.231 ppm2      7.626 CV     1
 ASSI {  168}
   (( segid "PX14" and resid 73   and name HN  ))
   (( segid "PX14" and resid 72   and name HN  ))
      3.400     1.400     1.400 peak   168 spectrum    1 weight  0.11000E+01 volume  0.97130E-03 ppm1      8.229 ppm2      7.919 CV     1
 ASSI {  169}
   (( segid "PX14" and resid 73   and name HN  ))
   (( segid "PX14" and resid 74   and name HN  ))
      3.300     3.300     2.700 peak   169 spectrum    1 weight  0.11000E+01 volume  0.10848E-02 ppm1      8.229 ppm2      8.072 CV     1
 ASSI {  172}
   (( segid "PX14" and resid 74   and name HN  ))
   (( segid "PX14" and resid 75   and name HN  ))
      3.100     1.200     1.200 peak   172 spectrum    1 weight  0.11000E+01 volume  0.15809E-02 ppm1      8.104 ppm2      7.955 CV     1
 ASSI {  177}
   (( segid "PX14" and resid 76   and name HN  ))
   (( segid "PX14" and resid 78   and name HN  ))
      3.400     1.400     1.400 peak   177 spectrum    1 weight  0.11000E+01 volume  0.10729E-02 ppm1      8.059 ppm2      8.226 CV     1
 ASSI {  181}
   (( segid "PX14" and resid 80   and name HN  ))
   (( segid "PX14" and resid 81   and name HN  ))
      3.700     1.700     1.700 peak   181 spectrum    1 weight  0.11000E+01 volume  0.65097E-03 ppm1      7.944 ppm2      7.397 CV     1
 ASSI {    1}
   (( segid "PX14" and resid 15   and name HA  ))
   (  segid "PX14" and resid 15   and name HB% )
      2.200     2.200     3.800 peak     1 spectrum    2 weight  0.11000E+01 volume  0.12481E-01 ppm1      4.281 ppm2      1.336 CV     1
 ASSI {    5}
   (  segid "PX14" and resid 30   and name HB% )
   (( segid "PX14" and resid 30   and name HA  ))
      2.500     0.800     0.800 peak     5 spectrum    2 weight  0.11000E+01 volume  0.53232E-02 ppm1      1.417 ppm2      4.022 CV     1
 ASSI {    9}
   (( segid "PX14" and resid 32   and name HA  ))
   (  segid "PX14" and resid 32   and name HB% )
      2.200     0.600     0.600 peak     9 spectrum    2 weight  0.11000E+01 volume  0.81962E-02 ppm1      4.118 ppm2      1.558 CV     1
 ASSI {   15}
   (  segid "PX14" and resid 47   and name HB% )
   (( segid "PX14" and resid 47   and name HA  ))
      2.100     0.600     0.600 peak    15 spectrum    2 weight  0.11000E+01 volume  0.13701E-01 ppm1      1.466 ppm2      4.101 CV     1
 ASSI {   19}
   (( segid "PX14" and resid 51   and name HA  ))
   (  segid "PX14" and resid 51   and name HB% )
      2.000     2.000     4.000 peak    19 spectrum    2 weight  0.11000E+01 volume  0.21387E-01 ppm1      4.093 ppm2      1.599 CV     1
 ASSI {   21}
   (( segid "PX14" and resid 66   and name HA  ))
   (  segid "PX14" and resid 66   and name HB% )
      2.300     0.700     0.700 peak    21 spectrum    2 weight  0.11000E+01 volume  0.79746E-02 ppm1      3.908 ppm2      1.341 CV     1
 ASSI {   27}
   (  segid "PX14" and resid 73   and name HB% )
   (( segid "PX14" and resid 73   and name HA  ))
      2.100     0.600     0.600 peak    27 spectrum    2 weight  0.11000E+01 volume  0.13066E-01 ppm1      1.366 ppm2      4.221 CV     1
 ASSI {   29}
   (( segid "PX14" and resid 74   and name HA  ))
   (  segid "PX14" and resid 74   and name HB% )
      2.100     0.600     0.600 peak    29 spectrum    2 weight  0.11000E+01 volume  0.13278E-01 ppm1      4.293 ppm2      1.349 CV     1
 ASSI {   36}
   (( segid "PX14" and resid 57   and name HA1 ))
   (( segid "PX14" and resid 57   and name HA2 ))
      1.800     0.400     0.400 peak    36 spectrum    2 weight  0.11000E+01 volume  0.16666E-01 ppm1      4.203 ppm2      3.618 CV     1
 ASSI {   38}
   (  segid "PX14" and resid 31   and name HG2%)
   (( segid "PX14" and resid 31   and name HA  ))
      2.200     2.200     3.800 peak    38 spectrum    2 weight  0.11000E+01 volume  0.96598E-02 ppm1      0.462 ppm2      3.753 CV     1
 ASSI {   39}
   (  segid "PX14" and resid 31   and name HG2%)
   (( segid "PX14" and resid 31   and name HB  ))
      2.200     2.200     3.800 peak    39 spectrum    2 weight  0.11000E+01 volume  0.83274E-02 ppm1      0.468 ppm2      4.024 CV     1
 ASSI {   43}
   (( segid "PX14" and resid 31   and name HB  ))
   (( segid "PX14" and resid 31   and name HA  ))
      3.200     3.200     2.800 peak    43 spectrum    2 weight  0.11000E+01 volume  0.13440E-02 ppm1      3.429 ppm2      3.446 CV     1
 ASSI {   44}
   (( segid "PX14" and resid 72   and name HA  ))
   (  segid "PX14" and resid 72   and name HG2%)
      2.300     2.300     3.700 peak    44 spectrum    2 weight  0.11000E+01 volume  0.80614E-02 ppm1      4.351 ppm2      0.925 CV     1
 ASSI {   46}
   (( segid "PX14" and resid 72   and name HB  ))
   (  segid "PX14" and resid 72   and name HG2%)
      2.100     0.600     0.600 peak    46 spectrum    2 weight  0.11000E+01 volume  0.11907E-01 ppm1      4.206 ppm2      0.922 CV     1
 ASSI {   53}
   (  segid "PX14" and resid 48   and name HG2%)
   (( segid "PX14" and resid 48   and name HA  ))
      2.600     0.800     0.800 peak    53 spectrum    2 weight  0.11000E+01 volume  0.41063E-02 ppm1      1.433 ppm2      4.207 CV     1
 ASSI {   54}
   (  segid "PX14" and resid 48   and name HG2%)
   (( segid "PX14" and resid 48   and name HB  ))
      2.600     0.800     0.800 peak    54 spectrum    2 weight  0.11000E+01 volume  0.35934E-02 ppm1      1.408 ppm2      4.486 CV     1
 ASSI {   57}
   (( segid "PX14" and resid 17   and name HA  ))
   (( segid "PX14" and resid 17   and name HB2 ))
      2.400     0.700     0.700 peak    57 spectrum    2 weight  0.11000E+01 volume  0.82968E-02 ppm1      4.426 ppm2      1.950 CV     1
 ASSI {   58}
   (( segid "PX14" and resid 17   and name HA  ))
   (( segid "PX14" and resid 17   and name HG1 ))
      2.500     2.500     3.500 peak    58 spectrum    2 weight  0.11000E+01 volume  0.12290E-01 ppm1      4.426 ppm2      2.303 CV     1
 ASSI {   62}
   (( segid "PX14" and resid 17   and name HA  ))
   (( segid "PX14" and resid 17   and name HB1 ))
      2.600     2.600     3.400 peak    62 spectrum    2 weight  0.11000E+01 volume  0.29560E-02 ppm1      4.431 ppm2      2.025 CV     1
 ASSI {   63}
   (( segid "PX14" and resid 17   and name HB2 ))
   (( segid "PX14" and resid 17   and name HG1 ))
      1.400     1.400     4.600 peak    63 spectrum    2 weight  0.11000E+01 volume  0.22881E+00 ppm1      2.046 ppm2      2.024 CV     1
 ASSI {   66}
   (( segid "PX14" and resid 17   and name HD1 ))
   (( segid "PX14" and resid 17   and name HB2 ))
      2.600     2.600     3.400 peak    66 spectrum    2 weight  0.11000E+01 volume  0.11296E-01 ppm1      3.834 ppm2      1.964 CV     1
 ASSI {   67}
   (( segid "PX14" and resid 17   and name HD1 ))
   (( segid "PX14" and resid 17   and name HB1 ))
      2.200     2.200     3.800 peak    67 spectrum    2 weight  0.11000E+01 volume  0.12043E-01 ppm1      3.825 ppm2      2.054 CV     1
 ASSI {   68}
   (( segid "PX14" and resid 17   and name HD1 ))
   (( segid "PX14" and resid 17   and name HG1 ))
      3.100     3.100     2.900 peak    68 spectrum    2 weight  0.11000E+01 volume  0.92990E-03 ppm1      3.834 ppm2      2.334 CV     1
 ASSI {   71}
   (( segid "PX14" and resid 27   and name HB1 ))
   (( segid "PX14" and resid 27   and name HG2 ))
      2.600     0.800     0.800 peak    71 spectrum    2 weight  0.11000E+01 volume  0.92509E-02 ppm1      2.341 ppm2      1.969 CV     1
 ASSI {   74}
   (( segid "PX14" and resid 27   and name HB2 ))
   (( segid "PX14" and resid 27   and name HG2 ))
      1.700     0.400     0.500 peak    74 spectrum    2 weight  0.11000E+01 volume  0.29363E-01 ppm1      1.833 ppm2      1.976 CV     1
 ASSI {   76}
   (( segid "PX14" and resid 27   and name HB2 ))
   (( segid "PX14" and resid 27   and name HA  ))
      3.100     1.200     1.200 peak    76 spectrum    2 weight  0.11000E+01 volume  0.20656E-02 ppm1      1.796 ppm2      4.383 CV     1
 ASSI {   77}
   (( segid "PX14" and resid 27   and name HB2 ))
   (( segid "PX14" and resid 27   and name HB1 ))
      2.300     0.600     0.600 peak    77 spectrum    2 weight  0.11000E+01 volume  0.45813E-02 ppm1      1.798 ppm2      2.350 CV     1
 ASSI {   80}
   (( segid "PX14" and resid 24   and name HD2 ))
   (( segid "PX14" and resid 24   and name HD1 ))
      2.100     2.100     3.900 peak    80 spectrum    2 weight  0.11000E+01 volume  0.67129E-02 ppm1      3.625 ppm2      3.953 CV     1
 ASSI {   84}
   (( segid "PX14" and resid 59   and name HB  ))
   (( segid "PX14" and resid 59   and name HA  ))
      2.800     2.800     3.200 peak    84 spectrum    2 weight  0.11000E+01 volume  0.25207E-02 ppm1      4.690 ppm2      4.301 CV     1
 ASSI {   85}
   (( segid "PX14" and resid 59   and name HB  ))
   (  segid "PX14" and resid 59   and name HG2%)
      2.900     1.100     1.100 peak    85 spectrum    2 weight  0.11000E+01 volume  0.16795E-02 ppm1      4.690 ppm2      1.240 CV     1
 ASSI {   87}
   (  segid "PX14" and resid 59   and name HG2%)
   (( segid "PX14" and resid 59   and name HA  ))
      2.300     0.600     0.600 peak    87 spectrum    2 weight  0.11000E+01 volume  0.93974E-02 ppm1      1.247 ppm2      4.313 CV     1
 ASSI {   90}
   (( segid "PX14" and resid 72   and name HB  ))
   (( segid "PX14" and resid 72   and name HA  ))
      2.700     0.900     0.900 peak    90 spectrum    2 weight  0.11000E+01 volume  0.30793E-02 ppm1      4.190 ppm2      4.353 CV     1
 ASSI {   95}
   (( segid "PX14" and resid 78   and name HB1 ))
   (( segid "PX14" and resid 78   and name HA  ))
      3.000     3.000     3.000 peak    95 spectrum    2 weight  0.11000E+01 volume  0.17327E-02 ppm1      3.782 ppm2      4.208 CV     1
 ASSI {  100}
   (( segid "PX14" and resid 35   and name HB1 ))
   (( segid "PX14" and resid 35   and name HA  ))
      4.100     2.100     1.900 peak   100 spectrum    2 weight  0.11000E+01 volume  0.38434E-03 ppm1      3.472 ppm2      4.127 CV     1
 ASSI {  102}
   (( segid "PX14" and resid 52   and name HB2 ))
   (( segid "PX14" and resid 52   and name HB1 ))
      2.200     0.600     0.600 peak   102 spectrum    2 weight  0.11000E+01 volume  0.45967E-02 ppm1      2.924 ppm2      3.488 CV     1
 ASSI {  105}
   (( segid "PX14" and resid 52   and name HB1 ))
   (( segid "PX14" and resid 52   and name HA  ))
      3.200     3.200     2.800 peak   105 spectrum    2 weight  0.11000E+01 volume  0.17795E-02 ppm1      3.483 ppm2      4.187 CV     1
 ASSI {  106}
   (( segid "PX14" and resid 52   and name HB2 ))
   (( segid "PX14" and resid 52   and name HA  ))
      2.900     2.900     3.100 peak   106 spectrum    2 weight  0.11000E+01 volume  0.14513E-02 ppm1      2.924 ppm2      4.194 CV     1
 ASSI {  111}
   (( segid "PX14" and resid 67   and name HA  ))
   (( segid "PX14" and resid 67   and name HB1 ))
      3.400     3.400     2.600 peak   111 spectrum    2 weight  0.11000E+01 volume  0.66792E-03 ppm1      3.978 ppm2      3.379 CV     1
 ASSI {  112}
   (( segid "PX14" and resid 67   and name HA  ))
   (( segid "PX14" and resid 67   and name HB2 ))
      3.200     3.200     2.800 peak   112 spectrum    2 weight  0.11000E+01 volume  0.14337E-02 ppm1      3.982 ppm2      3.061 CV     1
 ASSI {  116}
   (( segid "PX14" and resid 67   and name HB2 ))
   (( segid "PX14" and resid 67   and name HB1 ))
      2.300     0.700     0.700 peak   116 spectrum    2 weight  0.11000E+01 volume  0.38817E-02 ppm1      3.056 ppm2      3.380 CV     1
 ASSI {  120}
   (( segid "PX14" and resid 70   and name HA  ))
   (( segid "PX14" and resid 70   and name HB1 ))
      3.000     3.000     3.000 peak   120 spectrum    2 weight  0.11000E+01 volume  0.16432E-02 ppm1      4.327 ppm2      4.101 CV     1
 ASSI {  121}
   (( segid "PX14" and resid 70   and name HA  ))
   (( segid "PX14" and resid 70   and name HB2 ))
      2.500     0.800     0.800 peak   121 spectrum    2 weight  0.11000E+01 volume  0.48330E-02 ppm1      4.323 ppm2      3.913 CV     1
 ASSI {  124}
   (( segid "PX14" and resid 70   and name HB2 ))
   (( segid "PX14" and resid 70   and name HB1 ))
      2.200     2.200     3.800 peak   124 spectrum    2 weight  0.11000E+01 volume  0.58373E-02 ppm1      3.911 ppm2      4.101 CV     1
 ASSI {  129}
   (( segid "PX14" and resid 24   and name HB1 ))
   (( segid "PX14" and resid 24   and name HB2 ))
      1.900     0.500     0.500 peak   129 spectrum    2 weight  0.11000E+01 volume  0.12233E-01 ppm1      2.150 ppm2      1.835 CV     1
 ASSI {  132}
   (( segid "PX14" and resid 24   and name HB2 ))
   (( segid "PX14" and resid 24   and name HA  ))
      3.000     1.200     1.200 peak   132 spectrum    2 weight  0.11000E+01 volume  0.19798E-02 ppm1      1.810 ppm2      4.469 CV     1
 ASSI {  137}
   (( segid "PX14" and resid 45   and name HD1 ))
   (( segid "PX14" and resid 45   and name HB2 ))
      3.700     3.700     2.300 peak   137 spectrum    2 weight  0.11000E+01 volume  0.10958E-02 ppm1      4.095 ppm2      2.047 CV     1
 ASSI {  139}
   (( segid "PX14" and resid 45   and name HD1 ))
   (( segid "PX14" and resid 45   and name HB1 ))
      4.500     4.500     1.500 peak   139 spectrum    2 weight  0.11000E+01 volume  0.29874E-03 ppm1      4.097 ppm2      2.599 CV     1
 ASSI {  140}
   (( segid "PX14" and resid 45   and name HD1 ))
   (( segid "PX14" and resid 45   and name HA  ))
      3.200     3.200     2.800 peak   140 spectrum    2 weight  0.11000E+01 volume  0.10569E-02 ppm1      4.108 ppm2      4.538 CV     1
 ASSI {  141}
   (( segid "PX14" and resid 24   and name HA  ))
   (( segid "PX14" and resid 24   and name HB1 ))
      2.600     0.800     0.800 peak   141 spectrum    2 weight  0.11000E+01 volume  0.30367E-02 ppm1      4.453 ppm2      2.181 CV     1
 ASSI {  144}
   (( segid "PX14" and resid 27   and name HG1 ))
   (( segid "PX14" and resid 27   and name HB1 ))
      2.300     2.300     3.700 peak   144 spectrum    2 weight  0.11000E+01 volume  0.55838E-02 ppm1      2.089 ppm2      2.376 CV     1
 ASSI {  147}
   (( segid "PX14" and resid 27   and name HG1 ))
   (( segid "PX14" and resid 27   and name HB2 ))
      2.100     0.600     0.600 peak   147 spectrum    2 weight  0.11000E+01 volume  0.19892E-01 ppm1      2.058 ppm2      1.830 CV     1
 ASSI {  149}
   (( segid "PX14" and resid 27   and name HD2 ))
   (( segid "PX14" and resid 27   and name HD1 ))
      2.000     0.500     0.500 peak   149 spectrum    2 weight  0.11000E+01 volume  0.61963E-02 ppm1      3.532 ppm2      3.853 CV     1
 ASSI {  152}
   (( segid "PX14" and resid 27   and name HD2 ))
   (( segid "PX14" and resid 27   and name HB2 ))
      3.300     1.400     1.400 peak   152 spectrum    2 weight  0.11000E+01 volume  0.23204E-02 ppm1      3.542 ppm2      1.832 CV     1
 ASSI {  153}
   (( segid "PX14" and resid 27   and name HD2 ))
   (( segid "PX14" and resid 27   and name HG1 ))
      2.500     0.800     0.800 peak   153 spectrum    2 weight  0.11000E+01 volume  0.50014E-02 ppm1      3.532 ppm2      2.082 CV     1
 ASSI {  155}
   (( segid "PX14" and resid 27   and name HD1 ))
   (( segid "PX14" and resid 27   and name HG1 ))
      2.400     0.700     0.700 peak   155 spectrum    2 weight  0.11000E+01 volume  0.38099E-02 ppm1      3.838 ppm2      2.080 CV     1
 ASSI {  156}
   (( segid "PX14" and resid 27   and name HD1 ))
   (( segid "PX14" and resid 27   and name HB1 ))
      4.000     2.000     2.000 peak   156 spectrum    2 weight  0.11000E+01 volume  0.26312E-03 ppm1      3.831 ppm2      2.360 CV     1
 ASSI {  157}
   (( segid "PX14" and resid 27   and name HD2 ))
   (( segid "PX14" and resid 27   and name HB1 ))
      5.600     3.900     0.400 peak   157 spectrum    2 weight  0.11000E+01 volume  0.89360E-04 ppm1      3.516 ppm2      2.360 CV     1
 ASSI {  160}
   (( segid "PX14" and resid 27   and name HA  ))
   (( segid "PX14" and resid 27   and name HG2 ))
      3.900     1.900     1.900 peak   160 spectrum    2 weight  0.11000E+01 volume  0.72099E-03 ppm1      4.350 ppm2      1.972 CV     1
 ASSI {  161}
   (( segid "PX14" and resid 27   and name HA  ))
   (( segid "PX14" and resid 27   and name HG1 ))
      4.500     2.500     1.500 peak   161 spectrum    2 weight  0.11000E+01 volume  0.46815E-03 ppm1      4.350 ppm2      2.083 CV     1
 ASSI {  162}
   (( segid "PX14" and resid 27   and name HA  ))
   (( segid "PX14" and resid 27   and name HB1 ))
      2.700     0.900     0.900 peak   162 spectrum    2 weight  0.11000E+01 volume  0.23347E-02 ppm1      4.355 ppm2      2.357 CV     1
 ASSI {  168}
   (( segid "PX14" and resid 27   and name HB2 ))
   (( segid "PX14" and resid 27   and name HD1 ))
      3.600     1.600     1.600 peak   168 spectrum    2 weight  0.11000E+01 volume  0.16346E-02 ppm1      1.809 ppm2      3.885 CV     1
 ASSI {  171}
   (( segid "PX14" and resid 27   and name HG2 ))
   (( segid "PX14" and resid 27   and name HD1 ))
      3.000     1.200     1.200 peak   171 spectrum    2 weight  0.11000E+01 volume  0.30396E-02 ppm1      1.930 ppm2      3.865 CV     1
 ASSI {  172}
   (( segid "PX14" and resid 27   and name HG2 ))
   (( segid "PX14" and resid 27   and name HD2 ))
      2.800     1.000     1.000 peak   172 spectrum    2 weight  0.11000E+01 volume  0.11592E-02 ppm1      1.956 ppm2      3.555 CV     1
 ASSI {  175}
   (( segid "PX14" and resid 45   and name HB1 ))
   (( segid "PX14" and resid 45   and name HB2 ))
      2.100     0.600     0.600 peak   175 spectrum    2 weight  0.11000E+01 volume  0.65056E-02 ppm1      2.593 ppm2      2.026 CV     1
 ASSI {  178}
   (( segid "PX14" and resid 45   and name HB1 ))
   (( segid "PX14" and resid 45   and name HA  ))
      2.800     1.000     1.000 peak   178 spectrum    2 weight  0.11000E+01 volume  0.19312E-02 ppm1      2.589 ppm2      4.544 CV     1
 ASSI {  179}
   (( segid "PX14" and resid 45   and name HG1 ))
   (( segid "PX14" and resid 45   and name HA  ))
      3.700     1.700     1.700 peak   179 spectrum    2 weight  0.11000E+01 volume  0.59803E-03 ppm1      2.236 ppm2      4.537 CV     1
 ASSI {  180}
   (( segid "PX14" and resid 45   and name HG1 ))
   (( segid "PX14" and resid 45   and name HD1 ))
      2.700     2.700     3.300 peak   180 spectrum    2 weight  0.11000E+01 volume  0.22135E-02 ppm1      2.252 ppm2      4.102 CV     1
 ASSI {  182}
   (( segid "PX14" and resid 45   and name HG1 ))
   (( segid "PX14" and resid 45   and name HB1 ))
      2.700     2.700     3.300 peak   182 spectrum    2 weight  0.11000E+01 volume  0.18873E-02 ppm1      2.257 ppm2      2.614 CV     1
 ASSI {  185}
   (( segid "PX14" and resid 45   and name HD2 ))
   (( segid "PX14" and resid 45   and name HD1 ))
      2.200     2.200     3.800 peak   185 spectrum    2 weight  0.11000E+01 volume  0.51707E-02 ppm1      3.670 ppm2      4.108 CV     1
 ASSI {  188}
   (( segid "PX14" and resid 45   and name HD2 ))
   (( segid "PX14" and resid 45   and name HG1 ))
      3.400     1.400     1.400 peak   188 spectrum    2 weight  0.11000E+01 volume  0.15481E-02 ppm1      3.623 ppm2      2.218 CV     1
 ASSI {  194}
   (( segid "PX14" and resid 22   and name HB  ))
   (  segid "PX14" and resid 22   and name HG1%)
      2.600     0.800     0.800 peak   194 spectrum    2 weight  0.11000E+01 volume  0.39519E-02 ppm1      2.013 ppm2      0.898 CV     1
 ASSI {  196}
   (  segid "PX14" and resid 22   and name HG1%)
   (( segid "PX14" and resid 22   and name HA  ))
      2.700     0.900     0.900 peak   196 spectrum    2 weight  0.11000E+01 volume  0.37811E-02 ppm1      0.878 ppm2      4.113 CV     1
 ASSI {  199}
   (( segid "PX14" and resid 22   and name HA  ))
   (( segid "PX14" and resid 22   and name HB  ))
      3.000     1.100     1.100 peak   199 spectrum    2 weight  0.11000E+01 volume  0.16587E-02 ppm1      4.077 ppm2      2.047 CV     1
 ASSI {  202}
   (( segid "PX14" and resid 33   and name HA  ))
   (  segid "PX14" and resid 33   and name HG1%)
      2.900     1.000     1.000 peak   202 spectrum    2 weight  0.11000E+01 volume  0.21030E-02 ppm1      3.303 ppm2      1.166 CV     1
 ASSI {  203}
   (( segid "PX14" and resid 33   and name HA  ))
   (( segid "PX14" and resid 33   and name HB  ))
      4.300     2.300     1.700 peak   203 spectrum    2 weight  0.11000E+01 volume  0.19708E-03 ppm1      3.312 ppm2      2.158 CV     1
 ASSI {  206}
   (  segid "PX14" and resid 33   and name HG2%)
   (  segid "PX14" and resid 33   and name HG1%)
      2.700     2.700     3.300 peak   206 spectrum    2 weight  0.11000E+01 volume  0.29307E-02 ppm1      0.711 ppm2      1.178 CV     1
 ASSI {  213}
   (( segid "PX14" and resid 41   and name HB  ))
   (  segid "PX14" and resid 41   and name HG1%)
      2.400     2.400     3.600 peak   213 spectrum    2 weight  0.11000E+01 volume  0.45155E-02 ppm1      2.025 ppm2      0.295 CV     1
 ASSI {  214}
   (( segid "PX14" and resid 41   and name HB  ))
   (  segid "PX14" and resid 41   and name HG2%)
      2.600     2.600     3.400 peak   214 spectrum    2 weight  0.11000E+01 volume  0.26850E-02 ppm1      2.029 ppm2      0.013 CV     1
 ASSI {  216}
   (( segid "PX14" and resid 41   and name HA  ))
   (  segid "PX14" and resid 41   and name HG2%)
      2.700     2.700     3.300 peak   216 spectrum    2 weight  0.11000E+01 volume  0.30670E-02 ppm1      3.439 ppm2      0.004 CV     1
 ASSI {  218}
   (( segid "PX14" and resid 41   and name HA  ))
   (( segid "PX14" and resid 41   and name HB  ))
      3.700     1.800     1.800 peak   218 spectrum    2 weight  0.11000E+01 volume  0.44444E-03 ppm1      3.413 ppm2      1.967 CV     1
 ASSI {  220}
   (  segid "PX14" and resid 41   and name HG2%)
   (  segid "PX14" and resid 41   and name HG1%)
      2.300     0.700     0.700 peak   220 spectrum    2 weight  0.11000E+01 volume  0.64341E-02 ppm1      0.003 ppm2      0.286 CV     1
 ASSI {  226}
   (  segid "PX14" and resid 41   and name HG1%)
   (( segid "PX14" and resid 41   and name HA  ))
      2.600     0.800     0.800 peak   226 spectrum    2 weight  0.11000E+01 volume  0.35778E-02 ppm1      0.288 ppm2      3.449 CV     1
 ASSI {  228}
   (( segid "PX14" and resid 29   and name HB  ))
   (( segid "PX14" and resid 29   and name HA  ))
      4.400     2.500     1.600 peak   228 spectrum    2 weight  0.11000E+01 volume  0.17518E-03 ppm1      1.828 ppm2      3.400 CV     1
 ASSI {  230}
   (( segid "PX14" and resid 29   and name HG12))
   (  segid "PX14" and resid 29   and name HD1%)
      2.500     0.800     0.800 peak   230 spectrum    2 weight  0.11000E+01 volume  0.42138E-02 ppm1      1.034 ppm2      0.899 CV     1
 ASSI {  235}
   (( segid "PX14" and resid 29   and name HG12))
   (( segid "PX14" and resid 29   and name HB  ))
      4.300     2.300     1.700 peak   235 spectrum    2 weight  0.11000E+01 volume  0.20764E-03 ppm1      1.039 ppm2      1.875 CV     1
 ASSI {  236}
   (( segid "PX14" and resid 29   and name HG11))
   (  segid "PX14" and resid 29   and name HD1%)
      2.200     0.600     0.600 peak   236 spectrum    2 weight  0.11000E+01 volume  0.82982E-02 ppm1      1.646 ppm2      0.900 CV     1
 ASSI {  244}
   (( segid "PX14" and resid 29   and name HG11))
   (  segid "PX14" and resid 29   and name HG2%)
      2.900     1.100     1.100 peak   244 spectrum    2 weight  0.11000E+01 volume  0.24823E-02 ppm1      1.646 ppm2      0.780 CV     1
 ASSI {  245}
   (( segid "PX14" and resid 29   and name HG12))
   (  segid "PX14" and resid 29   and name HG2%)
      2.800     1.000     1.000 peak   245 spectrum    2 weight  0.11000E+01 volume  0.29098E-02 ppm1      1.025 ppm2      0.779 CV     1
 ASSI {  247}
   (( segid "PX14" and resid 29   and name HG11))
   (( segid "PX14" and resid 29   and name HG12))
      2.000     0.500     0.500 peak   247 spectrum    2 weight  0.11000E+01 volume  0.96911E-02 ppm1      1.641 ppm2      1.054 CV     1
 ASSI {  250}
   (  segid "PX14" and resid 29   and name HG2%)
   (( segid "PX14" and resid 29   and name HA  ))
      2.500     0.800     0.800 peak   250 spectrum    2 weight  0.11000E+01 volume  0.44285E-02 ppm1      0.791 ppm2      3.427 CV     1
 ASSI {  251}
   (( segid "PX14" and resid 29   and name HG12))
   (( segid "PX14" and resid 29   and name HA  ))
      3.300     1.400     1.400 peak   251 spectrum    2 weight  0.11000E+01 volume  0.79411E-03 ppm1      1.034 ppm2      3.408 CV     1
 ASSI {  252}
   (( segid "PX14" and resid 29   and name HG11))
   (( segid "PX14" and resid 29   and name HA  ))
      4.400     2.400     1.600 peak   252 spectrum    2 weight  0.11000E+01 volume  0.26838E-03 ppm1      1.650 ppm2      3.408 CV     1
 ASSI {  254}
   (( segid "PX14" and resid 29   and name HB  ))
   (( segid "PX14" and resid 29   and name HG11))
      2.800     1.000     1.000 peak   254 spectrum    2 weight  0.11000E+01 volume  0.19837E-02 ppm1      1.862 ppm2      1.673 CV     1
 ASSI {  256}
   (( segid "PX14" and resid 29   and name HB  ))
   (  segid "PX14" and resid 29   and name HD1%)
      2.900     1.000     1.000 peak   256 spectrum    2 weight  0.11000E+01 volume  0.30519E-02 ppm1      1.866 ppm2      0.893 CV     1
 ASSI {  257}
   (( segid "PX14" and resid 29   and name HB  ))
   (  segid "PX14" and resid 29   and name HG2%)
      2.300     0.600     0.600 peak   257 spectrum    2 weight  0.11000E+01 volume  0.73551E-02 ppm1      1.862 ppm2      0.783 CV     1
 ASSI {  258}
   (  segid "PX14" and resid 29   and name HD1%)
   (  segid "PX14" and resid 29   and name HG2%)
      2.700     0.900     0.900 peak   258 spectrum    2 weight  0.11000E+01 volume  0.26713E-02 ppm1      0.916 ppm2      0.793 CV     1
 ASSI {  265}
   (( segid "PX14" and resid 65   and name HG1 ))
   (( segid "PX14" and resid 65   and name HB2 ))
      3.200     1.300     1.300 peak   265 spectrum    2 weight  0.11000E+01 volume  0.16528E-02 ppm1      2.837 ppm2      2.070 CV     1
 ASSI {  266}
   (( segid "PX14" and resid 65   and name HB1 ))
   (( segid "PX14" and resid 65   and name HG1 ))
      2.400     0.700     0.700 peak   266 spectrum    2 weight  0.11000E+01 volume  0.50767E-02 ppm1      2.543 ppm2      2.841 CV     1
 ASSI {  268}
   (( segid "PX14" and resid 65   and name HG1 ))
   (( segid "PX14" and resid 65   and name HA  ))
      3.500     3.500     2.500 peak   268 spectrum    2 weight  0.11000E+01 volume  0.67397E-03 ppm1      2.858 ppm2      4.145 CV     1
 ASSI {  269}
   (( segid "PX14" and resid 65   and name HB1 ))
   (( segid "PX14" and resid 65   and name HA  ))
      2.300     0.700     0.700 peak   269 spectrum    2 weight  0.11000E+01 volume  0.93937E-02 ppm1      2.531 ppm2      4.127 CV     1
 ASSI {  270}
   (( segid "PX14" and resid 65   and name HB2 ))
   (( segid "PX14" and resid 65   and name HA  ))
      2.400     2.400     3.600 peak   270 spectrum    2 weight  0.11000E+01 volume  0.45021E-02 ppm1      2.139 ppm2      4.132 CV     1
 ASSI {  275}
   (  segid "PX14" and resid 65   and name HE% )
   (( segid "PX14" and resid 65   and name HB1 ))
      3.500     1.500     1.500 peak   275 spectrum    2 weight  0.11000E+01 volume  0.18052E-02 ppm1      2.061 ppm2      2.558 CV     1
 ASSI {  276}
   (  segid "PX14" and resid 65   and name HE% )
   (( segid "PX14" and resid 65   and name HG1 ))
      3.000     3.000     3.000 peak   276 spectrum    2 weight  0.11000E+01 volume  0.17418E-02 ppm1      2.069 ppm2      2.857 CV     1
 ASSI {  278}
   (  segid "PX14" and resid 65   and name HE% )
   (( segid "PX14" and resid 65   and name HA  ))
      3.100     3.100     2.900 peak   278 spectrum    2 weight  0.11000E+01 volume  0.10255E-02 ppm1      2.073 ppm2      4.137 CV     1
 ASSI {  280}
   (( segid "PX14" and resid 28   and name HA  ))
   (( segid "PX14" and resid 28   and name HB1 ))
      3.600     3.600     2.400 peak   280 spectrum    2 weight  0.11000E+01 volume  0.63774E-03 ppm1      4.174 ppm2      1.671 CV     1
 ASSI {  284}
   (( segid "PX14" and resid 28   and name HB1 ))
   (  segid "PX14" and resid 28   and name HD2%)
      3.000     1.100     1.100 peak   284 spectrum    2 weight  0.11000E+01 volume  0.15949E-02 ppm1      1.681 ppm2      0.885 CV     1
 ASSI {  287}
   (( segid "PX14" and resid 28   and name HA  ))
   (  segid "PX14" and resid 28   and name HD1%)
      3.600     3.600     2.400 peak   287 spectrum    2 weight  0.11000E+01 volume  0.71491E-03 ppm1      4.183 ppm2      0.998 CV     1
 ASSI {  288}
   (( segid "PX14" and resid 28   and name HA  ))
   (  segid "PX14" and resid 28   and name HD2%)
      3.600     3.600     2.400 peak   288 spectrum    2 weight  0.11000E+01 volume  0.71213E-03 ppm1      4.177 ppm2      0.878 CV     1
 ASSI {  292}
   (  segid "PX14" and resid 28   and name HD2%)
   (( segid "PX14" and resid 28   and name HG  ))
      2.500     0.800     0.800 peak   292 spectrum    2 weight  0.11000E+01 volume  0.49597E-02 ppm1      0.872 ppm2      1.549 CV     1
 ASSI {  295}
   (  segid "PX14" and resid 28   and name HD1%)
   (( segid "PX14" and resid 28   and name HB1 ))
      2.400     0.700     0.700 peak   295 spectrum    2 weight  0.11000E+01 volume  0.73901E-02 ppm1      0.959 ppm2      1.667 CV     1
 ASSI {  296}
   (  segid "PX14" and resid 28   and name HD1%)
   (( segid "PX14" and resid 28   and name HG  ))
      2.500     0.800     0.800 peak   296 spectrum    2 weight  0.11000E+01 volume  0.42487E-02 ppm1      0.973 ppm2      1.545 CV     1
 ASSI {  298}
   (( segid "PX14" and resid 46   and name HG  ))
   (  segid "PX14" and resid 46   and name HD1%)
      3.300     1.300     1.300 peak   298 spectrum    2 weight  0.11000E+01 volume  0.86029E-03 ppm1      1.563 ppm2      0.734 CV     1
 ASSI {  299}
   (( segid "PX14" and resid 46   and name HG  ))
   (  segid "PX14" and resid 46   and name HD2%)
      4.300     2.300     1.700 peak   299 spectrum    2 weight  0.11000E+01 volume  0.17078E-03 ppm1      1.563 ppm2      0.702 CV     1
 ASSI {  300}
   (( segid "PX14" and resid 46   and name HG  ))
   (( segid "PX14" and resid 46   and name HA  ))
      3.600     3.600     2.400 peak   300 spectrum    2 weight  0.11000E+01 volume  0.40533E-03 ppm1      1.636 ppm2      3.866 CV     1
 ASSI {  302}
   (( segid "PX14" and resid 46   and name HB1 ))
   (( segid "PX14" and resid 46   and name HA  ))
      2.200     0.600     0.600 peak   302 spectrum    2 weight  0.11000E+01 volume  0.70062E-02 ppm1      1.666 ppm2      3.912 CV     1
 ASSI {  303}
   (( segid "PX14" and resid 46   and name HB1 ))
   (  segid "PX14" and resid 46   and name HD1%)
      2.600     2.600     3.400 peak   303 spectrum    2 weight  0.11000E+01 volume  0.93609E-02 ppm1      1.659 ppm2      0.762 CV     1
 ASSI {  304}
   (( segid "PX14" and resid 46   and name HB1 ))
   (  segid "PX14" and resid 46   and name HD2%)
      3.100     3.100     2.900 peak   304 spectrum    2 weight  0.11000E+01 volume  0.11279E-02 ppm1      1.674 ppm2      0.715 CV     1
 ASSI {  311}
   (  segid "PX14" and resid 46   and name HD1%)
   (( segid "PX14" and resid 46   and name HA  ))
      2.900     2.900     3.100 peak   311 spectrum    2 weight  0.11000E+01 volume  0.39598E-02 ppm1      0.731 ppm2      3.915 CV     1
 ASSI {  315}
   (( segid "PX14" and resid 46   and name HA  ))
   (  segid "PX14" and resid 46   and name HD2%)
      3.200     1.300     1.300 peak   315 spectrum    2 weight  0.11000E+01 volume  0.19674E-02 ppm1      3.898 ppm2      0.707 CV     1
 ASSI {  319}
   (( segid "PX14" and resid 80   and name HB1 ))
   (( segid "PX14" and resid 80   and name HA  ))
      5.700     5.700     0.300 peak   319 spectrum    2 weight  0.11000E+01 volume  0.31993E-04 ppm1      1.380 ppm2      4.214 CV     1
 ASSI {  324}
   (( segid "PX14" and resid 34   and name HB1 ))
   (( segid "PX14" and resid 34   and name HA  ))
      2.600     2.600     3.400 peak   324 spectrum    2 weight  0.11000E+01 volume  0.64123E-02 ppm1      1.897 ppm2      4.014 CV     1
 ASSI {  325}
   (( segid "PX14" and resid 34   and name HB1 ))
   (( segid "PX14" and resid 34   and name HG2 ))
      2.300     2.300     3.700 peak   325 spectrum    2 weight  0.11000E+01 volume  0.84994E-02 ppm1      1.888 ppm2      1.710 CV     1
 ASSI {  326}
   (( segid "PX14" and resid 34   and name HB1 ))
   (( segid "PX14" and resid 34   and name HG1 ))
      2.200     2.200     3.800 peak   326 spectrum    2 weight  0.11000E+01 volume  0.10136E-01 ppm1      1.863 ppm2      1.566 CV     1
 ASSI {  328}
   (( segid "PX14" and resid 34   and name HA  ))
   (( segid "PX14" and resid 34   and name HG1 ))
      3.300     1.300     1.300 peak   328 spectrum    2 weight  0.11000E+01 volume  0.19919E-02 ppm1      3.983 ppm2      1.473 CV     1
 ASSI {  331}
   (( segid "PX14" and resid 34   and name HG2 ))
   (( segid "PX14" and resid 34   and name HE1 ))
      4.000     2.000     2.000 peak   331 spectrum    2 weight  0.11000E+01 volume  0.60788E-03 ppm1      1.421 ppm2      2.906 CV     1
 ASSI {  332}
   (( segid "PX14" and resid 34   and name HG2 ))
   (( segid "PX14" and resid 34   and name HA  ))
      3.100     1.200     1.200 peak   332 spectrum    2 weight  0.11000E+01 volume  0.14408E-02 ppm1      1.421 ppm2      3.944 CV     1
 ASSI {  334}
   (( segid "PX14" and resid 34   and name HD1 ))
   (( segid "PX14" and resid 34   and name HA  ))
      3.200     3.200     2.800 peak   334 spectrum    2 weight  0.11000E+01 volume  0.21185E-02 ppm1      1.711 ppm2      3.989 CV     1
 ASSI {  337}
   (( segid "PX14" and resid 34   and name HE1 ))
   (( segid "PX14" and resid 34   and name HG1 ))
      3.400     3.400     2.600 peak   337 spectrum    2 weight  0.11000E+01 volume  0.15349E-02 ppm1      2.944 ppm2      1.530 CV     1
 ASSI {  339}
   (( segid "PX14" and resid 34   and name HE1 ))
   (( segid "PX14" and resid 34   and name HA  ))
      4.700     4.700     1.300 peak   339 spectrum    2 weight  0.11000E+01 volume  0.35872E-03 ppm1      2.943 ppm2      4.016 CV     1
 ASSI {  341}
   (( segid "PX14" and resid 36   and name HB2 ))
   (( segid "PX14" and resid 36   and name HB1 ))
      2.200     2.200     3.800 peak   341 spectrum    2 weight  0.11000E+01 volume  0.40455E-02 ppm1      1.293 ppm2      1.821 CV     1
 ASSI {  345}
   (( segid "PX14" and resid 36   and name HB1 ))
   (( segid "PX14" and resid 36   and name HA  ))
      4.000     4.000     2.000 peak   345 spectrum    2 weight  0.11000E+01 volume  0.19541E-03 ppm1      1.783 ppm2      3.622 CV     1
 ASSI {  347}
   (( segid "PX14" and resid 36   and name HG  ))
   (( segid "PX14" and resid 36   and name HB2 ))
      3.100     3.100     2.900 peak   347 spectrum    2 weight  0.11000E+01 volume  0.12595E-02 ppm1      2.135 ppm2      1.331 CV     1
 ASSI {  348}
   (( segid "PX14" and resid 36   and name HG  ))
   (  segid "PX14" and resid 36   and name HD1%)
      2.900     2.900     3.100 peak   348 spectrum    2 weight  0.11000E+01 volume  0.18469E-02 ppm1      2.137 ppm2      0.699 CV     1
 ASSI {  349}
   (( segid "PX14" and resid 36   and name HG  ))
   (  segid "PX14" and resid 36   and name HD2%)
      2.600     2.600     3.400 peak   349 spectrum    2 weight  0.11000E+01 volume  0.34887E-02 ppm1      2.131 ppm2      0.262 CV     1
 ASSI {  351}
   (( segid "PX14" and resid 36   and name HB1 ))
   (( segid "PX14" and resid 36   and name HG  ))
      2.800     2.800     3.200 peak   351 spectrum    2 weight  0.11000E+01 volume  0.22449E-02 ppm1      1.775 ppm2      2.107 CV     1
 ASSI {  352}
   (( segid "PX14" and resid 53   and name HB2 ))
   (( segid "PX14" and resid 53   and name HB1 ))
      2.400     0.700     0.700 peak   352 spectrum    2 weight  0.11000E+01 volume  0.31352E-02 ppm1      1.285 ppm2      2.039 CV     1
 ASSI {  353}
   (( segid "PX14" and resid 36   and name HB1 ))
   (  segid "PX14" and resid 36   and name HD1%)
      4.500     4.500     1.500 peak   353 spectrum    2 weight  0.11000E+01 volume  0.18717E-03 ppm1      1.809 ppm2      0.685 CV     1
 ASSI {  354}
   (( segid "PX14" and resid 36   and name HB2 ))
   (  segid "PX14" and resid 36   and name HD1%)
      2.900     1.000     1.000 peak   354 spectrum    2 weight  0.11000E+01 volume  0.19351E-02 ppm1      1.328 ppm2      0.687 CV     1
 ASSI {  355}
   (( segid "PX14" and resid 36   and name HB2 ))
   (  segid "PX14" and resid 36   and name HD2%)
      3.400     3.400     2.600 peak   355 spectrum    2 weight  0.11000E+01 volume  0.79331E-03 ppm1      1.277 ppm2      0.252 CV     1
 ASSI {  356}
   (( segid "PX14" and resid 36   and name HB1 ))
   (  segid "PX14" and resid 36   and name HD2%)
      3.200     3.200     2.800 peak   356 spectrum    2 weight  0.11000E+01 volume  0.10755E-02 ppm1      1.783 ppm2      0.252 CV     1
 ASSI {  360}
   (  segid "PX14" and resid 36   and name HD1%)
   (  segid "PX14" and resid 36   and name HD2%)
      2.500     0.800     0.800 peak   360 spectrum    2 weight  0.11000E+01 volume  0.46182E-02 ppm1      0.678 ppm2      0.264 CV     1
 ASSI {  368}
   (( segid "PX14" and resid 36   and name HA  ))
   (  segid "PX14" and resid 36   and name HD1%)
      2.900     1.100     1.100 peak   368 spectrum    2 weight  0.11000E+01 volume  0.17991E-02 ppm1      3.596 ppm2      0.673 CV     1
 ASSI {  369}
   (( segid "PX14" and resid 36   and name HA  ))
   (  segid "PX14" and resid 36   and name HD2%)
      6.000     4.800     0.000 peak   369 spectrum    2 weight  0.11000E+01 volume  0.23003E-04 ppm1      3.589 ppm2      0.260 CV     1
 ASSI {  370}
   (( segid "PX14" and resid 36   and name HA  ))
   (( segid "PX14" and resid 36   and name HG  ))
      3.700     1.700     1.700 peak   370 spectrum    2 weight  0.11000E+01 volume  0.44225E-03 ppm1      3.596 ppm2      2.102 CV     1
 ASSI {  372}
   (( segid "PX14" and resid 36   and name HA  ))
   (( segid "PX14" and resid 36   and name HB2 ))
      3.300     1.300     1.300 peak   372 spectrum    2 weight  0.11000E+01 volume  0.11197E-02 ppm1      3.572 ppm2      1.307 CV     1
 ASSI {  377}
   (( segid "PX14" and resid 58   and name HB2 ))
   (( segid "PX14" and resid 58   and name HB1 ))
      2.300     0.700     0.700 peak   377 spectrum    2 weight  0.11000E+01 volume  0.34277E-02 ppm1      1.145 ppm2      1.926 CV     1
 ASSI {  380}
   (( segid "PX14" and resid 58   and name HA  ))
   (( segid "PX14" and resid 58   and name HB1 ))
      2.700     0.900     0.900 peak   380 spectrum    2 weight  0.11000E+01 volume  0.25800E-02 ppm1      4.433 ppm2      1.921 CV     1
 ASSI {  381}
   (( segid "PX14" and resid 58   and name HA  ))
   (( segid "PX14" and resid 58   and name HG  ))
      2.700     0.900     0.900 peak   381 spectrum    2 weight  0.11000E+01 volume  0.31745E-02 ppm1      4.445 ppm2      1.678 CV     1
 ASSI {  384}
   (( segid "PX14" and resid 58   and name HG  ))
   (  segid "PX14" and resid 58   and name HD1%)
      2.600     0.800     0.800 peak   384 spectrum    2 weight  0.11000E+01 volume  0.37461E-02 ppm1      1.682 ppm2      0.722 CV     1
 ASSI {  385}
   (( segid "PX14" and resid 58   and name HG  ))
   (( segid "PX14" and resid 58   and name HB2 ))
      3.600     1.600     1.600 peak   385 spectrum    2 weight  0.11000E+01 volume  0.78463E-03 ppm1      1.678 ppm2      1.155 CV     1
 ASSI {  387}
   (  segid "PX14" and resid 58   and name HD1%)
   (( segid "PX14" and resid 58   and name HB2 ))
      2.800     1.000     1.000 peak   387 spectrum    2 weight  0.11000E+01 volume  0.18588E-02 ppm1      0.681 ppm2      1.150 CV     1
 ASSI {  388}
   (  segid "PX14" and resid 58   and name HD1%)
   (  segid "PX14" and resid 58   and name HD2%)
      2.400     2.400     3.600 peak   388 spectrum    2 weight  0.11000E+01 volume  0.56282E-02 ppm1      0.773 ppm2      0.993 CV     1
 ASSI {  390}
   (  segid "PX14" and resid 58   and name HD1%)
   (( segid "PX14" and resid 58   and name HB1 ))
      3.100     1.200     1.200 peak   390 spectrum    2 weight  0.11000E+01 volume  0.44481E-02 ppm1      0.716 ppm2      1.933 CV     1
 ASSI {  391}
   (  segid "PX14" and resid 58   and name HD1%)
   (( segid "PX14" and resid 58   and name HA  ))
      3.200     1.300     1.300 peak   391 spectrum    2 weight  0.11000E+01 volume  0.13113E-02 ppm1      0.721 ppm2      4.449 CV     1
 ASSI {  393}
   (  segid "PX14" and resid 58   and name HD2%)
   (( segid "PX14" and resid 58   and name HG  ))
      2.500     0.800     0.800 peak   393 spectrum    2 weight  0.11000E+01 volume  0.38791E-02 ppm1      0.877 ppm2      1.650 CV     1
 ASSI {  394}
   (  segid "PX14" and resid 58   and name HD2%)
   (( segid "PX14" and resid 58   and name HB1 ))
      2.500     0.800     0.800 peak   394 spectrum    2 weight  0.11000E+01 volume  0.35461E-02 ppm1      0.879 ppm2      1.907 CV     1
 ASSI {  396}
   (( segid "PX14" and resid 58   and name HA  ))
   (  segid "PX14" and resid 58   and name HD2%)
      3.400     1.500     1.500 peak   396 spectrum    2 weight  0.11000E+01 volume  0.18938E-02 ppm1      4.445 ppm2      0.902 CV     1
 ASSI {  400}
   (( segid "PX14" and resid 58   and name HA  ))
   (( segid "PX14" and resid 58   and name HB2 ))
      3.100     1.200     1.200 peak   400 spectrum    2 weight  0.11000E+01 volume  0.13264E-02 ppm1      4.438 ppm2      1.163 CV     1
 ASSI {  404}
   (( segid "PX14" and resid 53   and name HB1 ))
   (( segid "PX14" and resid 53   and name HA  ))
      4.000     2.000     2.000 peak   404 spectrum    2 weight  0.11000E+01 volume  0.24868E-03 ppm1      2.031 ppm2      3.505 CV     1
 ASSI {  408}
   (( segid "PX14" and resid 54   and name HD1 ))
   (( segid "PX14" and resid 54   and name HE1 ))
      3.400     3.400     2.600 peak   408 spectrum    2 weight  0.11000E+01 volume  0.60391E-03 ppm1      1.675 ppm2      2.893 CV     1
 ASSI {  409}
   (( segid "PX14" and resid 54   and name HD1 ))
   (( segid "PX14" and resid 54   and name HA  ))
      3.100     3.100     2.900 peak   409 spectrum    2 weight  0.11000E+01 volume  0.14882E-02 ppm1      1.673 ppm2      4.143 CV     1
 ASSI {  413}
   (( segid "PX14" and resid 54   and name HG1 ))
   (( segid "PX14" and resid 54   and name HA  ))
      3.500     3.500     2.500 peak   413 spectrum    2 weight  0.11000E+01 volume  0.53827E-03 ppm1      1.545 ppm2      4.142 CV     1
 ASSI {  414}
   (( segid "PX14" and resid 54   and name HD1 ))
   (( segid "PX14" and resid 54   and name HG2 ))
      2.100     0.500     0.500 peak   414 spectrum    2 weight  0.11000E+01 volume  0.13602E-01 ppm1      1.664 ppm2      1.402 CV     1
 ASSI {  416}
   (( segid "PX14" and resid 54   and name HB1 ))
   (( segid "PX14" and resid 54   and name HE1 ))
      3.500     1.600     1.600 peak   416 spectrum    2 weight  0.11000E+01 volume  0.14911E-02 ppm1      1.814 ppm2      2.919 CV     1
 ASSI {  417}
   (( segid "PX14" and resid 54   and name HB1 ))
   (( segid "PX14" and resid 54   and name HA  ))
      2.200     2.200     3.800 peak   417 spectrum    2 weight  0.11000E+01 volume  0.99703E-02 ppm1      1.805 ppm2      4.198 CV     1
 ASSI {  418}
   (( segid "PX14" and resid 54   and name HB1 ))
   (( segid "PX14" and resid 54   and name HG1 ))
      2.000     0.500     0.500 peak   418 spectrum    2 weight  0.11000E+01 volume  0.19002E-01 ppm1      1.817 ppm2      1.535 CV     1
 ASSI {  423}
   (( segid "PX14" and resid 54   and name HG2 ))
   (( segid "PX14" and resid 54   and name HE1 ))
      3.600     3.600     2.400 peak   423 spectrum    2 weight  0.11000E+01 volume  0.64612E-03 ppm1      1.423 ppm2      2.902 CV     1
 ASSI {  424}
   (( segid "PX14" and resid 54   and name HG1 ))
   (( segid "PX14" and resid 54   and name HE1 ))
      3.800     3.800     2.200 peak   424 spectrum    2 weight  0.11000E+01 volume  0.56492E-03 ppm1      1.550 ppm2      2.900 CV     1
 ASSI {  428}
   (( segid "PX14" and resid 54   and name HE1 ))
   (( segid "PX14" and resid 54   and name HA  ))
      2.900     2.900     3.100 peak   428 spectrum    2 weight  0.11000E+01 volume  0.37530E-02 ppm1      2.919 ppm2      4.199 CV     1
 ASSI {  430}
   (( segid "PX14" and resid 62   and name HB2 ))
   (( segid "PX14" and resid 62   and name HB1 ))
      2.000     0.500     0.500 peak   430 spectrum    2 weight  0.11000E+01 volume  0.75686E-02 ppm1      1.668 ppm2      2.504 CV     1
 ASSI {  434}
   (( segid "PX14" and resid 56   and name HG1 ))
   (( segid "PX14" and resid 56   and name HG2 ))
      2.200     0.600     0.600 peak   434 spectrum    2 weight  0.11000E+01 volume  0.44025E-02 ppm1      0.131 ppm2     -0.488 CV     1
 ASSI {  436}
   (( segid "PX14" and resid 56   and name HG2 ))
   (( segid "PX14" and resid 56   and name HD1 ))
      3.500     3.500     2.500 peak   436 spectrum    2 weight  0.11000E+01 volume  0.56197E-03 ppm1     -0.484 ppm2      1.071 CV     1
 ASSI {  440}
   (( segid "PX14" and resid 56   and name HD1 ))
   (( segid "PX14" and resid 56   and name HA  ))
      3.400     1.500     1.500 peak   440 spectrum    2 weight  0.11000E+01 volume  0.99564E-03 ppm1      0.993 ppm2      3.910 CV     1
 ASSI {  441}
   (( segid "PX14" and resid 56   and name HD2 ))
   (( segid "PX14" and resid 56   and name HA  ))
      4.400     4.400     1.600 peak   441 spectrum    2 weight  0.11000E+01 volume  0.23885E-03 ppm1      0.711 ppm2      3.908 CV     1
 ASSI {  447}
   (( segid "PX14" and resid 20   and name HG1 ))
   (( segid "PX14" and resid 20   and name HB1 ))
      1.800     0.400     0.400 peak   447 spectrum    2 weight  0.11000E+01 volume  0.40110E-01 ppm1      2.222 ppm2      2.042 CV     1
 ASSI {  448}
   (( segid "PX14" and resid 20   and name HG1 ))
   (( segid "PX14" and resid 20   and name HB2 ))
      2.100     2.100     3.900 peak   448 spectrum    2 weight  0.11000E+01 volume  0.11835E-01 ppm1      2.219 ppm2      1.910 CV     1
 ASSI {  449}
   (( segid "PX14" and resid 20   and name HG1 ))
   (( segid "PX14" and resid 20   and name HA  ))
      4.900     3.000     1.100 peak   449 spectrum    2 weight  0.11000E+01 volume  0.17538E-03 ppm1      2.214 ppm2      4.278 CV     1
 ASSI {  452}
   (( segid "PX14" and resid 20   and name HA  ))
   (( segid "PX14" and resid 20   and name HB2 ))
      4.000     2.000     2.000 peak   452 spectrum    2 weight  0.11000E+01 volume  0.40885E-03 ppm1      4.245 ppm2      1.922 CV     1
 ASSI {  453}
   (( segid "PX14" and resid 20   and name HA  ))
   (( segid "PX14" and resid 20   and name HB1 ))
      3.100     1.200     1.200 peak   453 spectrum    2 weight  0.11000E+01 volume  0.11731E-02 ppm1      4.245 ppm2      2.044 CV     1
 ASSI {  454}
   (( segid "PX14" and resid 21   and name HA  ))
   (( segid "PX14" and resid 21   and name HB1 ))
      3.800     1.800     1.800 peak   454 spectrum    2 weight  0.11000E+01 volume  0.48919E-03 ppm1      4.677 ppm2      2.797 CV     1
 ASSI {  458}
   (( segid "PX14" and resid 21   and name HA  ))
   (( segid "PX14" and resid 21   and name HB2 ))
      4.000     2.000     2.000 peak   458 spectrum    2 weight  0.11000E+01 volume  0.31026E-03 ppm1      4.685 ppm2      2.688 CV     1
 ASSI {  461}
   (( segid "PX14" and resid 37   and name HB1 ))
   (( segid "PX14" and resid 37   and name HG1 ))
      3.000     1.100     1.100 peak   461 spectrum    2 weight  0.11000E+01 volume  0.32413E-02 ppm1      2.110 ppm2      2.743 CV     1
 ASSI {  462}
   (( segid "PX14" and resid 37   and name HB1 ))
   (( segid "PX14" and resid 37   and name HA  ))
      2.300     0.700     0.700 peak   462 spectrum    2 weight  0.11000E+01 volume  0.60555E-02 ppm1      2.106 ppm2      4.094 CV     1
 ASSI {  464}
   (( segid "PX14" and resid 37   and name HA  ))
   (( segid "PX14" and resid 37   and name HB2 ))
      3.000     1.100     1.100 peak   464 spectrum    2 weight  0.11000E+01 volume  0.26969E-02 ppm1      4.065 ppm2      2.100 CV     1
 ASSI {  465}
   (( segid "PX14" and resid 37   and name HA  ))
   (( segid "PX14" and resid 37   and name HG2 ))
      2.600     0.800     0.800 peak   465 spectrum    2 weight  0.11000E+01 volume  0.36405E-02 ppm1      4.072 ppm2      2.290 CV     1
 ASSI {  466}
   (( segid "PX14" and resid 37   and name HA  ))
   (( segid "PX14" and resid 37   and name HG1 ))
      3.200     1.300     1.300 peak   466 spectrum    2 weight  0.11000E+01 volume  0.13397E-02 ppm1      4.065 ppm2      2.742 CV     1
 ASSI {  470}
   (( segid "PX14" and resid 37   and name HG2 ))
   (( segid "PX14" and resid 37   and name HB1 ))
      1.900     1.900     4.100 peak   470 spectrum    2 weight  0.11000E+01 volume  0.15365E-01 ppm1      2.303 ppm2      2.296 CV     1
 ASSI {  471}
   (( segid "PX14" and resid 37   and name HG2 ))
   (( segid "PX14" and resid 37   and name HG1 ))
      2.100     0.500     0.500 peak   471 spectrum    2 weight  0.11000E+01 volume  0.71577E-02 ppm1      2.293 ppm2      2.744 CV     1
 ASSI {  472}
   (( segid "PX14" and resid 37   and name HG1 ))
   (( segid "PX14" and resid 37   and name HB2 ))
      2.300     2.300     3.700 peak   472 spectrum    2 weight  0.11000E+01 volume  0.62785E-02 ppm1      2.749 ppm2      2.117 CV     1
 ASSI {  476}
   (( segid "PX14" and resid 43   and name HG2 ))
   (( segid "PX14" and resid 43   and name HG1 ))
      1.900     1.900     4.100 peak   476 spectrum    2 weight  0.11000E+01 volume  0.13102E-01 ppm1      2.398 ppm2      2.577 CV     1
 ASSI {  477}
   (( segid "PX14" and resid 43   and name HG1 ))
   (( segid "PX14" and resid 43   and name HB2 ))
      2.700     2.700     3.300 peak   477 spectrum    2 weight  0.11000E+01 volume  0.29254E-02 ppm1      2.603 ppm2      2.083 CV     1
 ASSI {  478}
   (( segid "PX14" and resid 43   and name HG2 ))
   (( segid "PX14" and resid 43   and name HB2 ))
      2.600     0.800     0.800 peak   478 spectrum    2 weight  0.11000E+01 volume  0.53053E-02 ppm1      2.349 ppm2      2.077 CV     1
 ASSI {  479}
   (( segid "PX14" and resid 43   and name HG2 ))
   (( segid "PX14" and resid 43   and name HA  ))
      3.100     3.100     2.900 peak   479 spectrum    2 weight  0.11000E+01 volume  0.15498E-02 ppm1      2.386 ppm2      4.316 CV     1
 ASSI {  480}
   (( segid "PX14" and resid 43   and name HG1 ))
   (( segid "PX14" and resid 43   and name HA  ))
      3.100     3.100     2.900 peak   480 spectrum    2 weight  0.11000E+01 volume  0.17343E-02 ppm1      2.598 ppm2      4.320 CV     1
 ASSI {  483}
   (( segid "PX14" and resid 43   and name HB1 ))
   (( segid "PX14" and resid 43   and name HG1 ))
      2.400     2.400     3.600 peak   483 spectrum    2 weight  0.11000E+01 volume  0.80460E-02 ppm1      2.303 ppm2      2.603 CV     1
 ASSI {  485}
   (( segid "PX14" and resid 43   and name HB2 ))
   (( segid "PX14" and resid 43   and name HB1 ))
      1.900     0.400     0.400 peak   485 spectrum    2 weight  0.11000E+01 volume  0.14228E-01 ppm1      2.086 ppm2      2.290 CV     1
 ASSI {  487}
   (( segid "PX14" and resid 43   and name HB2 ))
   (( segid "PX14" and resid 43   and name HA  ))
      2.600     0.800     0.800 peak   487 spectrum    2 weight  0.11000E+01 volume  0.48898E-02 ppm1      2.086 ppm2      4.314 CV     1
 ASSI {  489}
   (( segid "PX14" and resid 43   and name HA  ))
   (( segid "PX14" and resid 43   and name HB1 ))
      2.300     0.700     0.700 peak   489 spectrum    2 weight  0.11000E+01 volume  0.77858E-02 ppm1      4.315 ppm2      2.299 CV     1
 ASSI {  495}
   (( segid "PX14" and resid 60   and name HB2 ))
   (( segid "PX14" and resid 60   and name HB1 ))
      2.200     0.600     0.600 peak   495 spectrum    2 weight  0.11000E+01 volume  0.59904E-02 ppm1      2.484 ppm2      2.679 CV     1
 ASSI {  499}
   (( segid "PX14" and resid 60   and name HA  ))
   (( segid "PX14" and resid 60   and name HB2 ))
      3.300     1.400     1.400 peak   499 spectrum    2 weight  0.11000E+01 volume  0.10376E-02 ppm1      4.201 ppm2      2.511 CV     1
 ASSI {  500}
   (( segid "PX14" and resid 60   and name HA  ))
   (( segid "PX14" and resid 60   and name HB1 ))
      2.700     0.900     0.900 peak   500 spectrum    2 weight  0.11000E+01 volume  0.27463E-02 ppm1      4.210 ppm2      2.683 CV     1
 ASSI {  502}
   (( segid "PX14" and resid 62   and name HB2 ))
   (( segid "PX14" and resid 62   and name HA  ))
      2.700     2.700     3.300 peak   502 spectrum    2 weight  0.11000E+01 volume  0.35890E-02 ppm1      1.684 ppm2      3.877 CV     1
 ASSI {  503}
   (( segid "PX14" and resid 62   and name HB1 ))
   (( segid "PX14" and resid 62   and name HA  ))
      3.100     3.100     2.900 peak   503 spectrum    2 weight  0.11000E+01 volume  0.97174E-03 ppm1      2.513 ppm2      3.862 CV     1
 ASSI {  504}
   (( segid "PX14" and resid 62   and name HB2 ))
   (( segid "PX14" and resid 62   and name HG2 ))
      2.500     2.500     3.500 peak   504 spectrum    2 weight  0.11000E+01 volume  0.40396E-02 ppm1      1.694 ppm2      2.161 CV     1
 ASSI {  505}
   (( segid "PX14" and resid 62   and name HB1 ))
   (( segid "PX14" and resid 62   and name HG2 ))
      3.200     1.300     1.300 peak   505 spectrum    2 weight  0.11000E+01 volume  0.13487E-02 ppm1      2.444 ppm2      2.124 CV     1
 ASSI {  507}
   (( segid "PX14" and resid 62   and name HG2 ))
   (( segid "PX14" and resid 62   and name HG1 ))
      2.100     0.600     0.600 peak   507 spectrum    2 weight  0.11000E+01 volume  0.68064E-02 ppm1      2.163 ppm2      2.469 CV     1
 ASSI {  510}
   (( segid "PX14" and resid 62   and name HG1 ))
   (( segid "PX14" and resid 62   and name HB2 ))
      3.300     3.300     2.700 peak   510 spectrum    2 weight  0.11000E+01 volume  0.10475E-02 ppm1      2.474 ppm2      1.688 CV     1
 ASSI {  512}
   (( segid "PX14" and resid 62   and name HG1 ))
   (( segid "PX14" and resid 62   and name HA  ))
      3.700     1.700     1.700 peak   512 spectrum    2 weight  0.11000E+01 volume  0.50184E-03 ppm1      2.463 ppm2      3.862 CV     1
 ASSI {  516}
   (( segid "PX14" and resid 62   and name HA  ))
   (( segid "PX14" and resid 62   and name HG2 ))
      2.500     0.800     0.800 peak   516 spectrum    2 weight  0.11000E+01 volume  0.59250E-02 ppm1      3.852 ppm2      2.169 CV     1
 ASSI {  518}
   (( segid "PX14" and resid 64   and name HA  ))
   (( segid "PX14" and resid 64   and name HB2 ))
      3.100     3.100     2.900 peak   518 spectrum    2 weight  0.11000E+01 volume  0.22527E-02 ppm1      4.451 ppm2      2.679 CV     1
 ASSI {  519}
   (( segid "PX14" and resid 64   and name HA  ))
   (( segid "PX14" and resid 64   and name HB1 ))
      3.100     3.100     2.900 peak   519 spectrum    2 weight  0.11000E+01 volume  0.10444E-02 ppm1      4.445 ppm2      2.882 CV     1
 ASSI {  524}
   (( segid "PX14" and resid 64   and name HB2 ))
   (( segid "PX14" and resid 64   and name HB1 ))
      2.000     0.500     0.500 peak   524 spectrum    2 weight  0.11000E+01 volume  0.93128E-02 ppm1      2.668 ppm2      2.870 CV     1
 ASSI {  526}
   (( segid "PX14" and resid 69   and name HG2 ))
   (( segid "PX14" and resid 69   and name HA  ))
      2.600     0.900     0.900 peak   526 spectrum    2 weight  0.11000E+01 volume  0.41098E-02 ppm1      2.377 ppm2      4.113 CV     1
 ASSI {  527}
   (( segid "PX14" and resid 69   and name HG1 ))
   (( segid "PX14" and resid 69   and name HA  ))
      2.600     2.600     3.400 peak   527 spectrum    2 weight  0.11000E+01 volume  0.47588E-02 ppm1      2.629 ppm2      4.113 CV     1
 ASSI {  528}
   (( segid "PX14" and resid 69   and name HG2 ))
   (( segid "PX14" and resid 69   and name HG1 ))
      2.200     2.200     3.800 peak   528 spectrum    2 weight  0.11000E+01 volume  0.63005E-02 ppm1      2.392 ppm2      2.617 CV     1
 ASSI {  532}
   (( segid "PX14" and resid 69   and name HG1 ))
   (( segid "PX14" and resid 69   and name HB1 ))
      2.500     2.500     3.500 peak   532 spectrum    2 weight  0.11000E+01 volume  0.64390E-02 ppm1      2.646 ppm2      2.125 CV     1
 ASSI {  533}
   (( segid "PX14" and resid 69   and name HG2 ))
   (( segid "PX14" and resid 69   and name HB1 ))
      2.000     0.500     0.500 peak   533 spectrum    2 weight  0.11000E+01 volume  0.17653E-01 ppm1      2.353 ppm2      2.125 CV     1
 ASSI {  534}
   (( segid "PX14" and resid 69   and name HG1 ))
   (( segid "PX14" and resid 69   and name HB2 ))
      2.800     2.800     3.200 peak   534 spectrum    2 weight  0.11000E+01 volume  0.18885E-02 ppm1      2.639 ppm2      1.944 CV     1
 ASSI {  535}
   (( segid "PX14" and resid 69   and name HG2 ))
   (( segid "PX14" and resid 69   and name HB2 ))
      3.400     1.400     1.400 peak   535 spectrum    2 weight  0.11000E+01 volume  0.11211E-02 ppm1      2.365 ppm2      1.944 CV     1
 ASSI {  536}
   (( segid "PX14" and resid 25   and name HB2 ))
   (( segid "PX14" and resid 25   and name HA  ))
      3.000     3.000     3.000 peak   536 spectrum    2 weight  0.11000E+01 volume  0.22957E-02 ppm1      1.876 ppm2      4.410 CV     1
 ASSI {  538}
   (( segid "PX14" and resid 25   and name HB2 ))
   (( segid "PX14" and resid 25   and name HD1 ))
      4.000     2.000     2.000 peak   538 spectrum    2 weight  0.11000E+01 volume  0.29855E-03 ppm1      1.859 ppm2      3.308 CV     1
 ASSI {  539}
   (( segid "PX14" and resid 25   and name HB1 ))
   (( segid "PX14" and resid 25   and name HD2 ))
      3.600     1.700     1.700 peak   539 spectrum    2 weight  0.11000E+01 volume  0.51548E-03 ppm1      2.058 ppm2      3.107 CV     1
 ASSI {  540}
   (( segid "PX14" and resid 25   and name HB1 ))
   (( segid "PX14" and resid 25   and name HD1 ))
      3.500     1.500     1.500 peak   540 spectrum    2 weight  0.11000E+01 volume  0.53879E-03 ppm1      2.061 ppm2      3.316 CV     1
 ASSI {  543}
   (( segid "PX14" and resid 75   and name HA  ))
   (( segid "PX14" and resid 75   and name HB2 ))
      3.500     1.600     1.600 peak   543 spectrum    2 weight  0.11000E+01 volume  0.72877E-03 ppm1      4.565 ppm2      2.613 CV     1
 ASSI {  545}
   (( segid "PX14" and resid 25   and name HD1 ))
   (( segid "PX14" and resid 25   and name HA  ))
      5.600     3.900     0.400 peak   545 spectrum    2 weight  0.11000E+01 volume  0.10303E-03 ppm1      3.276 ppm2      4.387 CV     1
 ASSI {  546}
   (( segid "PX14" and resid 25   and name HD2 ))
   (( segid "PX14" and resid 25   and name HA  ))
      4.400     2.400     1.600 peak   546 spectrum    2 weight  0.11000E+01 volume  0.39326E-03 ppm1      3.055 ppm2      4.391 CV     1
 ASSI {  549}
   (( segid "PX14" and resid 25   and name HD2 ))
   (( segid "PX14" and resid 25   and name HD1 ))
      1.700     0.400     0.500 peak   549 spectrum    2 weight  0.11000E+01 volume  0.20377E-01 ppm1      3.056 ppm2      3.290 CV     1
 ASSI {  551}
   (( segid "PX14" and resid 25   and name HA  ))
   (( segid "PX14" and resid 25   and name HG1 ))
      2.400     0.700     0.700 peak   551 spectrum    2 weight  0.11000E+01 volume  0.94856E-02 ppm1      4.391 ppm2      1.863 CV     1
 ASSI {  553}
   (( segid "PX14" and resid 25   and name HA  ))
   (( segid "PX14" and resid 25   and name HB1 ))
      2.400     0.700     0.700 peak   553 spectrum    2 weight  0.11000E+01 volume  0.50308E-02 ppm1      4.386 ppm2      2.081 CV     1
 ASSI {  554}
   (( segid "PX14" and resid 25   and name HB2 ))
   (( segid "PX14" and resid 25   and name HD2 ))
      2.800     1.000     1.000 peak   554 spectrum    2 weight  0.11000E+01 volume  0.22860E-02 ppm1      1.856 ppm2      3.103 CV     1
 ASSI {  555}
   (( segid "PX14" and resid 25   and name HG1 ))
   (( segid "PX14" and resid 25   and name HB1 ))
      2.600     0.800     0.800 peak   555 spectrum    2 weight  0.11000E+01 volume  0.60523E-02 ppm1      1.845 ppm2      2.073 CV     1
 ASSI {  556}
   (( segid "PX14" and resid 25   and name HG1 ))
   (( segid "PX14" and resid 25   and name HD2 ))
      2.900     1.000     1.000 peak   556 spectrum    2 weight  0.11000E+01 volume  0.17774E-02 ppm1      1.853 ppm2      3.099 CV     1
 ASSI {  561}
   (( segid "PX14" and resid 69   and name HA  ))
   (( segid "PX14" and resid 69   and name HB1 ))
      2.700     0.900     0.900 peak   561 spectrum    2 weight  0.11000E+01 volume  0.29105E-02 ppm1      4.100 ppm2      2.135 CV     1
 ASSI {  562}
   (( segid "PX14" and resid 69   and name HA  ))
   (( segid "PX14" and resid 69   and name HB2 ))
      2.900     2.900     3.100 peak   562 spectrum    2 weight  0.11000E+01 volume  0.26863E-02 ppm1      4.116 ppm2      1.920 CV     1
 ASSI {  564}
   (( segid "PX14" and resid 49   and name HD2 ))
   (( segid "PX14" and resid 49   and name HD1 ))
      2.200     2.200     3.800 peak   564 spectrum    2 weight  0.11000E+01 volume  0.42504E-02 ppm1      2.790 ppm2      3.342 CV     1
 ASSI {  567}
   (( segid "PX14" and resid 49   and name HD1 ))
   (( segid "PX14" and resid 49   and name HB1 ))
      4.300     4.300     1.700 peak   567 spectrum    2 weight  0.11000E+01 volume  0.22395E-03 ppm1      3.326 ppm2      2.433 CV     1
 ASSI {  569}
   (( segid "PX14" and resid 49   and name HD1 ))
   (( segid "PX14" and resid 49   and name HB2 ))
      2.900     2.900     3.100 peak   569 spectrum    2 weight  0.11000E+01 volume  0.38487E-02 ppm1      3.326 ppm2      1.798 CV     1
 ASSI {  570}
   (( segid "PX14" and resid 49   and name HD2 ))
   (( segid "PX14" and resid 49   and name HB2 ))
      3.000     3.000     3.000 peak   570 spectrum    2 weight  0.11000E+01 volume  0.29655E-02 ppm1      2.783 ppm2      1.791 CV     1
 ASSI {  571}
   (( segid "PX14" and resid 49   and name HD1 ))
   (( segid "PX14" and resid 49   and name HG1 ))
      2.900     2.900     3.100 peak   571 spectrum    2 weight  0.11000E+01 volume  0.13645E-02 ppm1      3.334 ppm2      1.471 CV     1
 ASSI {  572}
   (( segid "PX14" and resid 49   and name HD2 ))
   (( segid "PX14" and resid 49   and name HG1 ))
      3.300     3.300     2.700 peak   572 spectrum    2 weight  0.11000E+01 volume  0.11940E-02 ppm1      2.783 ppm2      1.471 CV     1
 ASSI {  574}
   (( segid "PX14" and resid 49   and name HG1 ))
   (( segid "PX14" and resid 49   and name HB2 ))
      1.500     1.500     4.500 peak   574 spectrum    2 weight  0.11000E+01 volume  0.61631E-01 ppm1      1.755 ppm2      1.763 CV     1
 ASSI {  575}
   (( segid "PX14" and resid 49   and name HG1 ))
   (( segid "PX14" and resid 49   and name HB1 ))
      2.800     2.800     3.200 peak   575 spectrum    2 weight  0.11000E+01 volume  0.27417E-02 ppm1      1.805 ppm2      2.433 CV     1
 ASSI {  577}
   (( segid "PX14" and resid 49   and name HG1 ))
   (( segid "PX14" and resid 49   and name HA  ))
      3.500     3.500     2.500 peak   577 spectrum    2 weight  0.11000E+01 volume  0.14343E-02 ppm1      1.827 ppm2      3.953 CV     1
 ASSI {  578}
   (( segid "PX14" and resid 49   and name HD1 ))
   (( segid "PX14" and resid 49   and name HA  ))
      4.400     4.400     1.600 peak   578 spectrum    2 weight  0.11000E+01 volume  0.39588E-03 ppm1      3.322 ppm2      3.960 CV     1
 ASSI {  579}
   (( segid "PX14" and resid 49   and name HD2 ))
   (( segid "PX14" and resid 49   and name HA  ))
      4.100     4.100     1.900 peak   579 spectrum    2 weight  0.11000E+01 volume  0.47327E-03 ppm1      2.781 ppm2      3.949 CV     1
 ASSI {  581}
   (( segid "PX14" and resid 49   and name HB2 ))
   (( segid "PX14" and resid 49   and name HB1 ))
      2.200     2.200     3.800 peak   581 spectrum    2 weight  0.11000E+01 volume  0.32678E-02 ppm1      1.769 ppm2      2.433 CV     1
 ASSI {  583}
   (( segid "PX14" and resid 49   and name HB1 ))
   (( segid "PX14" and resid 49   and name HD2 ))
      3.100     1.200     1.200 peak   583 spectrum    2 weight  0.11000E+01 volume  0.89273E-03 ppm1      2.422 ppm2      2.776 CV     1
 ASSI {  585}
   (( segid "PX14" and resid 49   and name HB1 ))
   (( segid "PX14" and resid 49   and name HA  ))
      2.700     0.900     0.900 peak   585 spectrum    2 weight  0.11000E+01 volume  0.19086E-02 ppm1      2.428 ppm2      3.932 CV     1
 ASSI {  586}
   (( segid "PX14" and resid 49   and name HB2 ))
   (( segid "PX14" and resid 49   and name HA  ))
      2.600     0.900     0.900 peak   586 spectrum    2 weight  0.11000E+01 volume  0.41569E-02 ppm1      1.760 ppm2      3.934 CV     1
 ASSI {  593}
   (( segid "PX14" and resid 50   and name HD1 ))
   (( segid "PX14" and resid 50   and name HA  ))
      3.200     3.200     2.800 peak   593 spectrum    2 weight  0.11000E+01 volume  0.13885E-02 ppm1      3.172 ppm2      3.916 CV     1
 ASSI {  595}
   (( segid "PX14" and resid 50   and name HD1 ))
   (( segid "PX14" and resid 50   and name HB1 ))
      2.900     2.900     3.100 peak   595 spectrum    2 weight  0.11000E+01 volume  0.32501E-02 ppm1      3.174 ppm2      1.904 CV     1
 ASSI {  599}
   (( segid "PX14" and resid 50   and name HG1 ))
   (( segid "PX14" and resid 50   and name HA  ))
      2.800     2.800     3.200 peak   599 spectrum    2 weight  0.11000E+01 volume  0.22527E-02 ppm1      1.408 ppm2      3.889 CV     1
 ASSI {  601}
   (( segid "PX14" and resid 50   and name HB1 ))
   (( segid "PX14" and resid 50   and name HA  ))
      2.600     2.600     3.400 peak   601 spectrum    2 weight  0.11000E+01 volume  0.32467E-02 ppm1      1.986 ppm2      3.895 CV     1
 ASSI {  604}
   (( segid "PX14" and resid 50   and name HD1 ))
   (( segid "PX14" and resid 50   and name HB2 ))
      2.900     1.000     1.000 peak   604 spectrum    2 weight  0.11000E+01 volume  0.22856E-02 ppm1      3.164 ppm2      1.766 CV     1
 ASSI {  605}
   (( segid "PX14" and resid 50   and name HD1 ))
   (( segid "PX14" and resid 50   and name HG1 ))
      3.100     3.100     2.900 peak   605 spectrum    2 weight  0.11000E+01 volume  0.11645E-02 ppm1      3.176 ppm2      1.547 CV     1
 ASSI {  607}
   (( segid "PX14" and resid 50   and name HA  ))
   (( segid "PX14" and resid 50   and name HB2 ))
      2.600     0.900     0.900 peak   607 spectrum    2 weight  0.11000E+01 volume  0.50974E-02 ppm1      3.895 ppm2      1.774 CV     1
 ASSI {  609}
   (  segid "PX14" and resid 53   and name HD2%)
   (( segid "PX14" and resid 53   and name HA  ))
      4.100     2.100     1.900 peak   609 spectrum    2 weight  0.11000E+01 volume  0.35283E-03 ppm1      0.977 ppm2      3.502 CV     1
 ASSI {  611}
   (  segid "PX14" and resid 53   and name HD2%)
   (( segid "PX14" and resid 53   and name HB2 ))
      3.500     1.500     1.500 peak   611 spectrum    2 weight  0.11000E+01 volume  0.69534E-03 ppm1      0.981 ppm2      1.272 CV     1
 ASSI {  613}
   (( segid "PX14" and resid 53   and name HB1 ))
   (  segid "PX14" and resid 53   and name HD2%)
      3.200     1.300     1.300 peak   613 spectrum    2 weight  0.11000E+01 volume  0.10593E-02 ppm1      2.035 ppm2      0.985 CV     1
 ASSI {  614}
   (( segid "PX14" and resid 53   and name HB1 ))
   (  segid "PX14" and resid 53   and name HD1%)
      3.200     1.300     1.300 peak   614 spectrum    2 weight  0.11000E+01 volume  0.16266E-02 ppm1      2.031 ppm2      0.753 CV     1
 ASSI {  615}
   (( segid "PX14" and resid 53   and name HB2 ))
   (  segid "PX14" and resid 53   and name HD1%)
      3.500     3.500     2.500 peak   615 spectrum    2 weight  0.11000E+01 volume  0.60182E-03 ppm1      1.337 ppm2      0.921 CV     1
 ASSI {  618}
   (( segid "PX14" and resid 53   and name HA  ))
   (( segid "PX14" and resid 53   and name HB2 ))
      2.900     1.000     1.000 peak   618 spectrum    2 weight  0.11000E+01 volume  0.25148E-02 ppm1      3.491 ppm2      1.252 CV     1
 ASSI {  620}
   (( segid "PX14" and resid 53   and name HA  ))
   (  segid "PX14" and resid 53   and name HD1%)
      2.600     2.600     3.400 peak   620 spectrum    2 weight  0.11000E+01 volume  0.43127E-02 ppm1      3.495 ppm2      0.753 CV     1
 ASSI {  623}
   (( segid "PX14" and resid 42   and name HG2 ))
   (( segid "PX14" and resid 42   and name HA  ))
      6.000     6.000     0.000 peak   623 spectrum    2 weight  0.11000E+01 volume  0.48985E-05 ppm1      1.668 ppm2      3.830 CV     1
 ASSI {  624}
   (( segid "PX14" and resid 42   and name HG1 ))
   (( segid "PX14" and resid 42   and name HA  ))
      6.000     4.800     0.000 peak   624 spectrum    2 weight  0.11000E+01 volume  0.39310E-04 ppm1      1.768 ppm2      3.831 CV     1
 ASSI {  625}
   (( segid "PX14" and resid 42   and name HB1 ))
   (( segid "PX14" and resid 42   and name HA  ))
      2.500     2.500     3.500 peak   625 spectrum    2 weight  0.11000E+01 volume  0.37936E-02 ppm1      1.985 ppm2      3.892 CV     1
 ASSI {  626}
   (( segid "PX14" and resid 42   and name HB2 ))
   (( segid "PX14" and resid 42   and name HA  ))
      2.500     2.500     3.500 peak   626 spectrum    2 weight  0.11000E+01 volume  0.66768E-02 ppm1      1.780 ppm2      3.895 CV     1
 ASSI {  628}
   (( segid "PX14" and resid 42   and name HD1 ))
   (( segid "PX14" and resid 42   and name HB1 ))
      3.100     1.200     1.200 peak   628 spectrum    2 weight  0.11000E+01 volume  0.18959E-02 ppm1      3.064 ppm2      1.897 CV     1
 ASSI {  629}
   (( segid "PX14" and resid 42   and name HD1 ))
   (( segid "PX14" and resid 42   and name HG1 ))
      2.600     0.800     0.800 peak   629 spectrum    2 weight  0.11000E+01 volume  0.25506E-02 ppm1      3.067 ppm2      1.768 CV     1
 ASSI {  630}
   (( segid "PX14" and resid 42   and name HD1 ))
   (( segid "PX14" and resid 42   and name HG2 ))
      3.000     1.100     1.100 peak   630 spectrum    2 weight  0.11000E+01 volume  0.16916E-02 ppm1      3.067 ppm2      1.650 CV     1
 ASSI {  631}
   (( segid "PX14" and resid 42   and name HD1 ))
   (( segid "PX14" and resid 42   and name HA  ))
      3.300     1.300     1.300 peak   631 spectrum    2 weight  0.11000E+01 volume  0.28627E-02 ppm1      3.052 ppm2      3.893 CV     1
 ASSI {  635}
   (( segid "PX14" and resid 55   and name HE1 ))
   (( segid "PX14" and resid 55   and name HB1 ))
      5.100     5.100     0.900 peak   635 spectrum    2 weight  0.11000E+01 volume  0.97400E-04 ppm1      2.836 ppm2      1.734 CV     1
 ASSI {  637}
   (( segid "PX14" and resid 55   and name HB1 ))
   (( segid "PX14" and resid 55   and name HA  ))
      2.500     2.500     3.500 peak   637 spectrum    2 weight  0.11000E+01 volume  0.40700E-02 ppm1      1.773 ppm2      3.906 CV     1
 ASSI {  640}
   (( segid "PX14" and resid 55   and name HG1 ))
   (( segid "PX14" and resid 55   and name HB1 ))
      3.600     1.600     1.600 peak   640 spectrum    2 weight  0.11000E+01 volume  0.57698E-03 ppm1      1.213 ppm2      1.732 CV     1
 ASSI {  641}
   (( segid "PX14" and resid 55   and name HG1 ))
   (( segid "PX14" and resid 55   and name HE1 ))
      6.000     6.000     0.000 peak   641 spectrum    2 weight  0.11000E+01 volume  0.23179E-04 ppm1      1.219 ppm2      2.810 CV     1
 ASSI {  642}
   (( segid "PX14" and resid 55   and name HG1 ))
   (( segid "PX14" and resid 55   and name HA  ))
      3.400     1.500     1.500 peak   642 spectrum    2 weight  0.11000E+01 volume  0.14827E-02 ppm1      1.204 ppm2      3.885 CV     1
 ASSI {  643}
   (( segid "PX14" and resid 55   and name HB1 ))
   (( segid "PX14" and resid 55   and name HD1 ))
      3.000     3.000     3.000 peak   643 spectrum    2 weight  0.11000E+01 volume  0.18080E-02 ppm1      1.769 ppm2      1.381 CV     1
 ASSI {  644}
   (( segid "PX14" and resid 55   and name HG1 ))
   (( segid "PX14" and resid 55   and name HD1 ))
      2.900     1.000     1.000 peak   644 spectrum    2 weight  0.11000E+01 volume  0.24954E-02 ppm1      1.210 ppm2      1.360 CV     1
 ASSI {  646}
   (( segid "PX14" and resid 55   and name HE1 ))
   (( segid "PX14" and resid 55   and name HA  ))
      6.000     6.000     0.000 peak   646 spectrum    2 weight  0.11000E+01 volume  0.10359E-05 ppm1      2.823 ppm2      3.913 CV     1
 ASSI {  648}
   (( segid "PX14" and resid 55   and name HA  ))
   (( segid "PX14" and resid 55   and name HD1 ))
      3.900     3.900     2.100 peak   648 spectrum    2 weight  0.11000E+01 volume  0.35194E-03 ppm1      3.932 ppm2      1.366 CV     1
 ASSI {  651}
   (( segid "PX14" and resid 24   and name HG1 ))
   (( segid "PX14" and resid 24   and name HD2 ))
      2.800     1.000     1.000 peak   651 spectrum    2 weight  0.11000E+01 volume  0.39702E-02 ppm1      2.049 ppm2      3.614 CV     1
 ASSI {  652}
   (( segid "PX14" and resid 24   and name HG1 ))
   (( segid "PX14" and resid 24   and name HD1 ))
      2.800     1.000     1.000 peak   652 spectrum    2 weight  0.11000E+01 volume  0.15498E-02 ppm1      2.046 ppm2      3.859 CV     1
 ASSI {  653}
   (( segid "PX14" and resid 24   and name HD2 ))
   (( segid "PX14" and resid 24   and name HG2 ))
      2.600     0.900     0.900 peak   653 spectrum    2 weight  0.11000E+01 volume  0.23832E-02 ppm1      3.589 ppm2      1.855 CV     1
 ASSI {  654}
   (( segid "PX14" and resid 24   and name HD1 ))
   (( segid "PX14" and resid 24   and name HG2 ))
      4.000     2.000     2.000 peak   654 spectrum    2 weight  0.11000E+01 volume  0.61254E-03 ppm1      3.892 ppm2      1.856 CV     1
 ASSI {  655}
   (( segid "PX14" and resid 24   and name HD1 ))
   (( segid "PX14" and resid 24   and name HB1 ))
      2.900     1.100     1.100 peak   655 spectrum    2 weight  0.11000E+01 volume  0.20797E-02 ppm1      3.924 ppm2      2.184 CV     1
 ASSI {  656}
   (( segid "PX14" and resid 24   and name HA  ))
   (( segid "PX14" and resid 24   and name HG2 ))
      4.100     4.100     1.900 peak   656 spectrum    2 weight  0.11000E+01 volume  0.56542E-03 ppm1      4.456 ppm2      1.960 CV     1
 ASSI {  662}
   (( segid "PX14" and resid 26   and name HG1 ))
   (( segid "PX14" and resid 26   and name HA  ))
      3.000     1.100     1.100 peak   662 spectrum    2 weight  0.11000E+01 volume  0.19801E-02 ppm1      2.377 ppm2      4.044 CV     1
 ASSI {  663}
   (( segid "PX14" and resid 20   and name HG1 ))
   (( segid "PX14" and resid 19   and name HB1 ))
      4.400     4.400     1.600 peak   663 spectrum    2 weight  0.11000E+01 volume  0.36885E-03 ppm1      2.270 ppm2      3.853 CV     1
 ASSI {  664}
   (( segid "PX14" and resid 61   and name HG1 ))
   (  segid "PX14" and resid 59   and name HG2%)
      4.500     2.500     1.500 peak   664 spectrum    2 weight  0.11000E+01 volume  0.35866E-03 ppm1      2.263 ppm2      1.279 CV     1
 ASSI {  665}
   (( segid "PX14" and resid 20   and name HG1 ))
   (  segid "PX14" and resid 22   and name HG1%)
      3.600     3.600     2.400 peak   665 spectrum    2 weight  0.11000E+01 volume  0.66538E-03 ppm1      2.268 ppm2      0.925 CV     1
 ASSI {  666}
   (( segid "PX14" and resid 61   and name HG1 ))
   (  segid "PX14" and resid 58   and name HD1%)
      4.400     4.400     1.600 peak   666 spectrum    2 weight  0.11000E+01 volume  0.32124E-03 ppm1      2.279 ppm2      0.747 CV     1
 ASSI {  667}
   (  segid "PX14" and resid 22   and name HG1%)
   (( segid "PX14" and resid 24   and name HD1 ))
      3.200     3.200     2.800 peak   667 spectrum    2 weight  0.11000E+01 volume  0.95257E-03 ppm1      0.925 ppm2      3.904 CV     1
 ASSI {  668}
   (  segid "PX14" and resid 41   and name HG2%)
   (( segid "PX14" and resid 42   and name HG1 ))
      3.800     3.800     2.200 peak   668 spectrum    2 weight  0.11000E+01 volume  0.90541E-03 ppm1      0.028 ppm2      1.813 CV     1
 ASSI {  670}
   (  segid "PX14" and resid 72   and name HG2%)
   (  segid "PX14" and resid 67   and name HE% )
      6.000     6.000     0.000 peak   670 spectrum    2 weight  0.11000E+01 volume  0.44702E-05 ppm1      0.928 ppm2      7.082 CV     1
 ASSI {  671}
   (  segid "PX14" and resid 72   and name HG2%)
   (  segid "PX14" and resid 67   and name HD% )
      4.100     4.100     1.900 peak   671 spectrum    2 weight  0.11000E+01 volume  0.20034E-03 ppm1      0.933 ppm2      7.298 CV     1
 ASSI {  672}
   (( segid "PX14" and resid 22   and name HA  ))
   (( segid "PX14" and resid 58   and name HG  ))
      4.400     4.400     1.600 peak   672 spectrum    2 weight  0.11000E+01 volume  0.24984E-03 ppm1      4.123 ppm2      1.737 CV     1
 ASSI {  673}
   (( segid "PX14" and resid 52   and name HA  ))
   (  segid "PX14" and resid 52   and name HD% )
      3.100     1.200     1.200 peak   673 spectrum    2 weight  0.11000E+01 volume  0.11255E-02 ppm1      4.171 ppm2      6.812 CV     1
 ASSI {  674}
   (( segid "PX14" and resid 24   and name HA  ))
   (  segid "PX14" and resid 29   and name HD1%)
      3.200     3.200     2.800 peak   674 spectrum    2 weight  0.11000E+01 volume  0.14688E-02 ppm1      4.464 ppm2      0.920 CV     1
 ASSI {  685}
   (( segid "PX14" and resid 48   and name HB  ))
   (( segid "PX14" and resid 48   and name HA  ))
      2.500     0.800     0.800 peak   685 spectrum    2 weight  0.11000E+01 volume  0.56963E-02 ppm1      4.479 ppm2      4.216 CV     1
 ASSI {  687}
   (( segid "PX14" and resid 33   and name HA  ))
   (( segid "PX14" and resid 70   and name HA  ))
      3.800     3.800     2.200 peak   687 spectrum    2 weight  0.11000E+01 volume  0.56972E-03 ppm1      3.360 ppm2      4.317 CV     1
 ASSI {  688}
   (( segid "PX14" and resid 33   and name HA  ))
   (  segid "PX14" and resid 36   and name HD2%)
      3.200     3.200     2.800 peak   688 spectrum    2 weight  0.11000E+01 volume  0.10539E-02 ppm1      3.349 ppm2      0.257 CV     1
 ASSI {  689}
   (( segid "PX14" and resid 63   and name HA  ))
   (  segid "PX14" and resid 67   and name HD% )
      4.500     4.500     1.500 peak   689 spectrum    2 weight  0.11000E+01 volume  0.15067E-03 ppm1      3.262 ppm2      7.299 CV     1
 ASSI {  690}
   (( segid "PX14" and resid 63   and name HA  ))
   (  segid "PX14" and resid 66   and name HB% )
      3.100     3.100     2.900 peak   690 spectrum    2 weight  0.11000E+01 volume  0.12829E-02 ppm1      3.338 ppm2      1.344 CV     1
 ASSI {  691}
   (( segid "PX14" and resid 63   and name HA  ))
   (  segid "PX14" and resid 53   and name HD2%)
      4.400     4.400     1.600 peak   691 spectrum    2 weight  0.11000E+01 volume  0.17036E-03 ppm1      3.338 ppm2      1.007 CV     1
 ASSI {  692}
   (( segid "PX14" and resid 48   and name HA  ))
   (  segid "PX14" and resid 51   and name HB% )
      2.500     2.500     3.500 peak   692 spectrum    2 weight  0.11000E+01 volume  0.60467E-02 ppm1      4.197 ppm2      1.603 CV     1
 ASSI {  694}
   (( segid "PX14" and resid 29   and name HA  ))
   (  segid "PX14" and resid 66   and name HB% )
      4.000     2.000     2.000 peak   694 spectrum    2 weight  0.11000E+01 volume  0.35493E-03 ppm1      3.420 ppm2      1.355 CV     1
 ASSI {  695}
   (( segid "PX14" and resid 70   and name HB1 ))
   (  segid "PX14" and resid 67   and name HD% )
      2.500     2.500     3.500 peak   695 spectrum    2 weight  0.11000E+01 volume  0.69164E-02 ppm1      4.075 ppm2      7.306 CV     1
 ASSI {  696}
   (( segid "PX14" and resid 70   and name HB1 ))
   (( segid "PX14" and resid 33   and name HA  ))
      3.500     3.500     2.500 peak   696 spectrum    2 weight  0.11000E+01 volume  0.70204E-03 ppm1      4.090 ppm2      3.353 CV     1
 ASSI {  697}
   (( segid "PX14" and resid 70   and name HB1 ))
   (  segid "PX14" and resid 33   and name HG1%)
      3.100     3.100     2.900 peak   697 spectrum    2 weight  0.11000E+01 volume  0.86627E-03 ppm1      4.087 ppm2      1.175 CV     1
 ASSI {  698}
   (( segid "PX14" and resid 70   and name HB1 ))
   (  segid "PX14" and resid 33   and name HG2%)
      3.800     1.800     1.800 peak   698 spectrum    2 weight  0.11000E+01 volume  0.23234E-03 ppm1      4.064 ppm2      0.684 CV     1
 ASSI {  699}
   (( segid "PX14" and resid 70   and name HB2 ))
   (  segid "PX14" and resid 33   and name HG2%)
      5.000     3.100     1.000 peak   699 spectrum    2 weight  0.11000E+01 volume  0.48695E-04 ppm1      3.887 ppm2      0.684 CV     1
 ASSI {  712}
   (( segid "PX14" and resid 61   and name HA  ))
   (( segid "PX14" and resid 64   and name HB2 ))
      3.300     3.300     2.700 peak   712 spectrum    2 weight  0.11000E+01 volume  0.90862E-03 ppm1      4.101 ppm2      2.676 CV     1
 ASSI {  713}
   (( segid "PX14" and resid 59   and name HA  ))
   (( segid "PX14" and resid 24   and name HD1 ))
      3.700     3.700     2.300 peak   713 spectrum    2 weight  0.11000E+01 volume  0.73245E-03 ppm1      4.328 ppm2      3.920 CV     1
 ASSI {  715}
   (( segid "PX14" and resid 68   and name HA  ))
   (( segid "PX14" and resid 64   and name HB1 ))
      3.000     3.000     3.000 peak   715 spectrum    2 weight  0.11000E+01 volume  0.25961E-02 ppm1      4.121 ppm2      2.862 CV     1
 ASSI {  716}
   (( segid "PX14" and resid 68   and name HA  ))
   (( segid "PX14" and resid 68   and name HG1 ))
      2.500     2.500     3.500 peak   716 spectrum    2 weight  0.11000E+01 volume  0.63914E-02 ppm1      4.137 ppm2      2.547 CV     1
 ASSI {  718}
   (( segid "PX14" and resid 68   and name HA  ))
   (( segid "PX14" and resid 68   and name HB1 ))
      2.500     2.500     3.500 peak   718 spectrum    2 weight  0.11000E+01 volume  0.75839E-02 ppm1      4.109 ppm2      2.294 CV     1
 ASSI {  719}
   (( segid "PX14" and resid 55   and name HA  ))
   (( segid "PX14" and resid 56   and name HE1 ))
      4.100     2.100     1.900 peak   719 spectrum    2 weight  0.11000E+01 volume  0.43292E-03 ppm1      3.890 ppm2      2.299 CV     1
 ASSI {  720}
   (( segid "PX14" and resid 68   and name HA  ))
   (  segid "PX14" and resid 65   and name HE% )
      3.200     3.200     2.800 peak   720 spectrum    2 weight  0.11000E+01 volume  0.30368E-02 ppm1      4.101 ppm2      2.057 CV     1
 ASSI {  721}
   (( segid "PX14" and resid 68   and name HA  ))
   (  segid "PX14" and resid 73   and name HB% )
      2.800     2.800     3.200 peak   721 spectrum    2 weight  0.11000E+01 volume  0.25748E-02 ppm1      4.121 ppm2      1.368 CV     1
 ASSI {  723}
   (( segid "PX14" and resid 62   and name HA  ))
   (  segid "PX14" and resid 29   and name HD1%)
      2.800     2.800     3.200 peak   723 spectrum    2 weight  0.11000E+01 volume  0.23704E-02 ppm1      3.854 ppm2      0.914 CV     1
 ASSI {  725}
   (( segid "PX14" and resid 42   and name HA  ))
   (( segid "PX14" and resid 49   and name HD1 ))
      3.300     3.300     2.700 peak   725 spectrum    2 weight  0.11000E+01 volume  0.92392E-03 ppm1      3.885 ppm2      3.330 CV     1
 ASSI {  726}
   (( segid "PX14" and resid 64   and name HA  ))
   (  segid "PX14" and resid 67   and name HD% )
      3.700     3.700     2.300 peak   726 spectrum    2 weight  0.11000E+01 volume  0.50786E-03 ppm1      4.452 ppm2      7.311 CV     1
 ASSI {  729}
   (( segid "PX14" and resid 40   and name HA  ))
   (( segid "PX14" and resid 40   and name HB1 ))
      2.900     1.100     1.100 peak   729 spectrum    2 weight  0.11000E+01 volume  0.17908E-02 ppm1      4.185 ppm2      1.838 CV     1
 ASSI {  731}
   (( segid "PX14" and resid 28   and name HA  ))
   (( segid "PX14" and resid 31   and name HB  ))
      3.300     1.300     1.300 peak   731 spectrum    2 weight  0.11000E+01 volume  0.94994E-03 ppm1      4.240 ppm2      3.727 CV     1
 ASSI {  732}
   (( segid "PX14" and resid 30   and name HA  ))
   (( segid "PX14" and resid 33   and name HB  ))
      2.700     0.900     0.900 peak   732 spectrum    2 weight  0.11000E+01 volume  0.29820E-02 ppm1      4.040 ppm2      2.164 CV     1
 ASSI {  733}
   (( segid "PX14" and resid 37   and name HA  ))
   (( segid "PX14" and resid 38   and name HA  ))
      3.800     3.800     2.200 peak   733 spectrum    2 weight  0.11000E+01 volume  0.64624E-03 ppm1      4.084 ppm2      4.376 CV     1
 ASSI {  734}
   (( segid "PX14" and resid 51   and name HA  ))
   (( segid "PX14" and resid 50   and name HB1 ))
      3.100     3.100     2.900 peak   734 spectrum    2 weight  0.11000E+01 volume  0.15555E-02 ppm1      4.105 ppm2      1.946 CV     1
 ASSI {  735}
   (( segid "PX14" and resid 51   and name HA  ))
   (( segid "PX14" and resid 54   and name HB1 ))
      3.000     3.000     3.000 peak   735 spectrum    2 weight  0.11000E+01 volume  0.48923E-02 ppm1      4.100 ppm2      1.834 CV     1
 ASSI {  736}
   (( segid "PX14" and resid 66   and name HA  ))
   (( segid "PX14" and resid 69   and name HB2 ))
      3.300     3.300     2.700 peak   736 spectrum    2 weight  0.11000E+01 volume  0.88026E-03 ppm1      3.934 ppm2      1.932 CV     1
 ASSI {  737}
   (( segid "PX14" and resid 66   and name HA  ))
   (  segid "PX14" and resid 33   and name HG1%)
      3.100     1.200     1.200 peak   737 spectrum    2 weight  0.11000E+01 volume  0.23759E-02 ppm1      3.917 ppm2      1.173 CV     1
 ASSI {  738}
   (( segid "PX14" and resid 66   and name HA  ))
   (  segid "PX14" and resid 29   and name HG2%)
      2.800     1.000     1.000 peak   738 spectrum    2 weight  0.11000E+01 volume  0.25863E-02 ppm1      3.917 ppm2      0.798 CV     1
 ASSI {  739}
   (( segid "PX14" and resid 66   and name HA  ))
   (( segid "PX14" and resid 67   and name HB1 ))
      4.500     4.500     1.500 peak   739 spectrum    2 weight  0.11000E+01 volume  0.39727E-03 ppm1      3.925 ppm2      3.357 CV     1
 ASSI {  746}
   (( segid "PX14" and resid 45   and name HD1 ))
   (( segid "PX14" and resid 44   and name HA  ))
      5.300     3.500     0.700 peak   746 spectrum    2 weight  0.11000E+01 volume  0.39400E-04 ppm1      4.068 ppm2      4.908 CV     1
 ASSI {  747}
   (( segid "PX14" and resid 24   and name HD1 ))
   (  segid "PX14" and resid 23   and name HD1%)
      4.400     2.400     1.600 peak   747 spectrum    2 weight  0.11000E+01 volume  0.53491E-03 ppm1      3.895 ppm2      0.905 CV     1
 ASSI {  748}
   (( segid "PX14" and resid 45   and name HD2 ))
   (( segid "PX14" and resid 48   and name HB  ))
      3.300     1.400     1.400 peak   748 spectrum    2 weight  0.11000E+01 volume  0.69597E-03 ppm1      3.652 ppm2      4.488 CV     1
 ASSI {  750}
   (( segid "PX14" and resid 24   and name HD2 ))
   (  segid "PX14" and resid 23   and name HD1%)
      3.500     1.500     1.500 peak   750 spectrum    2 weight  0.11000E+01 volume  0.61335E-03 ppm1      3.584 ppm2      0.909 CV     1
 ASSI {  752}
   (( segid "PX14" and resid 49   and name HD1 ))
   (  segid "PX14" and resid 36   and name HD1%)
      3.300     3.300     2.700 peak   752 spectrum    2 weight  0.11000E+01 volume  0.13860E-02 ppm1      3.317 ppm2      0.698 CV     1
 ASSI {  753}
   (( segid "PX14" and resid 49   and name HD1 ))
   (  segid "PX14" and resid 41   and name HG2%)
      2.700     2.700     3.300 peak   753 spectrum    2 weight  0.11000E+01 volume  0.18020E-02 ppm1      3.334 ppm2      0.008 CV     1
 ASSI {  754}
   (( segid "PX14" and resid 42   and name HD1 ))
   (( segid "PX14" and resid 37   and name HA  ))
      2.600     2.600     3.400 peak   754 spectrum    2 weight  0.11000E+01 volume  0.29638E-02 ppm1      3.104 ppm2      4.067 CV     1
 ASSI {  755}
   (( segid "PX14" and resid 42   and name HD1 ))
   (  segid "PX14" and resid 72   and name HG2%)
      4.100     4.100     1.900 peak   755 spectrum    2 weight  0.11000E+01 volume  0.46824E-03 ppm1      3.117 ppm2      0.931 CV     1
 ASSI {  756}
   (( segid "PX14" and resid 49   and name HD2 ))
   (  segid "PX14" and resid 36   and name HD1%)
      3.000     3.000     3.000 peak   756 spectrum    2 weight  0.11000E+01 volume  0.17903E-02 ppm1      2.796 ppm2      0.716 CV     1
 ASSI {  757}
   (( segid "PX14" and resid 25   and name HD1 ))
   (( segid "PX14" and resid 25   and name HG1 ))
      2.600     0.900     0.900 peak   757 spectrum    2 weight  0.11000E+01 volume  0.36948E-02 ppm1      3.313 ppm2      1.828 CV     1
 ASSI {  758}
   (( segid "PX14" and resid 50   and name HD1 ))
   (( segid "PX14" and resid 47   and name HA  ))
      3.400     3.400     2.600 peak   758 spectrum    2 weight  0.11000E+01 volume  0.77902E-03 ppm1      3.191 ppm2      4.131 CV     1
 ASSI {  759}
   (( segid "PX14" and resid 58   and name HB2 ))
   (( segid "PX14" and resid 63   and name HA  ))
      5.100     5.100     0.900 peak   759 spectrum    2 weight  0.11000E+01 volume  0.91335E-04 ppm1      1.201 ppm2      3.321 CV     1
 ASSI {  760}
   (( segid "PX14" and resid 50   and name HD1 ))
   (  segid "PX14" and resid 63   and name HD1%)
      4.600     4.600     1.400 peak   760 spectrum    2 weight  0.11000E+01 volume  0.15325E-03 ppm1      3.166 ppm2      0.827 CV     1
 ASSI {  761}
   (( segid "PX14" and resid 50   and name HD1 ))
   (  segid "PX14" and resid 46   and name HD2%)
      4.700     4.700     1.300 peak   761 spectrum    2 weight  0.11000E+01 volume  0.68187E-04 ppm1      3.169 ppm2      0.681 CV     1
 ASSI {  762}
   (( segid "PX14" and resid 58   and name HB1 ))
   (  segid "PX14" and resid 63   and name HG2%)
      3.000     3.000     3.000 peak   762 spectrum    2 weight  0.11000E+01 volume  0.19623E-02 ppm1      1.940 ppm2      0.700 CV     1
 ASSI {  763}
   (( segid "PX14" and resid 58   and name HB1 ))
   (( segid "PX14" and resid 63   and name HA  ))
      5.700     5.700     0.300 peak   763 spectrum    2 weight  0.11000E+01 volume  0.52855E-04 ppm1      1.942 ppm2      3.276 CV     1
 ASSI {  764}
   (( segid "PX14" and resid 58   and name HB2 ))
   (  segid "PX14" and resid 63   and name HG2%)
      3.800     3.800     2.200 peak   764 spectrum    2 weight  0.11000E+01 volume  0.48951E-03 ppm1      1.173 ppm2      0.695 CV     1
 ASSI {  765}
   (( segid "PX14" and resid 58   and name HB2 ))
   (( segid "PX14" and resid 54   and name HA  ))
      4.700     2.800     1.300 peak   765 spectrum    2 weight  0.11000E+01 volume  0.10677E-03 ppm1      1.131 ppm2      4.199 CV     1
 ASSI {  770}
   (( segid "PX14" and resid 54   and name HE1 ))
   (  segid "PX14" and resid 63   and name HG2%)
      4.500     2.500     1.500 peak   770 spectrum    2 weight  0.11000E+01 volume  0.27207E-03 ppm1      2.916 ppm2      0.682 CV     1
 ASSI {  771}
   (( segid "PX14" and resid 53   and name HB1 ))
   (  segid "PX14" and resid 63   and name HG2%)
      3.800     3.800     2.200 peak   771 spectrum    2 weight  0.11000E+01 volume  0.46695E-03 ppm1      2.050 ppm2      0.669 CV     1
 ASSI {  772}
   (( segid "PX14" and resid 36   and name HB1 ))
   (( segid "PX14" and resid 33   and name HA  ))
      4.800     4.800     1.200 peak   772 spectrum    2 weight  0.11000E+01 volume  0.35753E-03 ppm1      1.771 ppm2      3.341 CV     1
 ASSI {  773}
   (( segid "PX14" and resid 23   and name HB1 ))
   (  segid "PX14" and resid 23   and name HD1%)
      4.200     2.200     1.800 peak   773 spectrum    2 weight  0.11000E+01 volume  0.30826E-03 ppm1      1.531 ppm2      0.920 CV     1
 ASSI {  774}
   (( segid "PX14" and resid 23   and name HB1 ))
   (( segid "PX14" and resid 24   and name HD2 ))
      3.800     1.800     1.800 peak   774 spectrum    2 weight  0.11000E+01 volume  0.91743E-03 ppm1      1.531 ppm2      3.606 CV     1
 ASSI {  778}
   (( segid "PX14" and resid 53   and name HB2 ))
   (  segid "PX14" and resid 63   and name HG2%)
      3.800     3.800     2.200 peak   778 spectrum    2 weight  0.11000E+01 volume  0.40737E-03 ppm1      1.367 ppm2      0.668 CV     1
 ASSI {  783}
   (( segid "PX14" and resid 64   and name HB2 ))
   (( segid "PX14" and resid 68   and name HA  ))
      3.400     3.400     2.600 peak   783 spectrum    2 weight  0.11000E+01 volume  0.14679E-02 ppm1      2.688 ppm2      4.104 CV     1
 ASSI {  786}
   (( segid "PX14" and resid 35   and name HB1 ))
   (  segid "PX14" and resid 35   and name HE% )
      3.200     3.200     2.800 peak   786 spectrum    2 weight  0.11000E+01 volume  0.24901E-02 ppm1      3.481 ppm2      6.829 CV     1
 ASSI {  787}
   (( segid "PX14" and resid 52   and name HB2 ))
   (  segid "PX14" and resid 35   and name HE% )
      3.800     3.800     2.200 peak   787 spectrum    2 weight  0.11000E+01 volume  0.44807E-03 ppm1      2.938 ppm2      6.881 CV     1
 ASSI {  792}
   (( segid "PX14" and resid 35   and name HB1 ))
   (  segid "PX14" and resid 35   and name HD% )
      2.800     1.000     1.000 peak   792 spectrum    2 weight  0.11000E+01 volume  0.15167E-02 ppm1      3.465 ppm2      7.091 CV     1
 ASSI {  794}
   (( segid "PX14" and resid 35   and name HB1 ))
   (( segid "PX19" and resid 109  and name HB1 ))
      4.900     4.900     1.100 peak   794 spectrum    2 weight  0.11000E+01 volume  0.51772E-03 ppm1      3.509 ppm2      1.553 CV     1
 ASSI {  795}
   (( segid "PX14" and resid 35   and name HB1 ))
   (  segid "PX14" and resid 53   and name HD1%)
      3.800     3.800     2.200 peak   795 spectrum    2 weight  0.11000E+01 volume  0.43223E-03 ppm1      3.509 ppm2      0.756 CV     1
 ASSI {  798}
   (( segid "PX14" and resid 63   and name HB  ))
   (( segid "PX14" and resid 60   and name HA  ))
      3.300     3.300     2.700 peak   798 spectrum    2 weight  0.11000E+01 volume  0.23884E-02 ppm1      1.920 ppm2      4.229 CV     1
 ASSI {  803}
   (( segid "PX14" and resid 62   and name HG2 ))
   (  segid "PX14" and resid 29   and name HD1%)
      3.200     3.200     2.800 peak   803 spectrum    2 weight  0.11000E+01 volume  0.15830E-02 ppm1      2.169 ppm2      0.917 CV     1
 ASSI {  806}
   (( segid "PX14" and resid 20   and name HG1 ))
   (( segid "PX14" and resid 19   and name HA  ))
      4.600     2.600     1.400 peak   806 spectrum    2 weight  0.11000E+01 volume  0.36901E-03 ppm1      2.260 ppm2      4.435 CV     1
 ASSI {  807}
   (( segid "PX14" and resid 61   and name HG1 ))
   (( segid "PX14" and resid 61   and name HA  ))
      2.700     2.700     3.300 peak   807 spectrum    2 weight  0.11000E+01 volume  0.52538E-02 ppm1      2.289 ppm2      4.095 CV     1
 ASSI {  813}
   (( segid "PX14" and resid 43   and name HG2 ))
   (( segid "PX14" and resid 40   and name HA  ))
      6.000     6.000     0.000 peak   813 spectrum    2 weight  0.11000E+01 volume  0.00000E+00 ppm1      2.386 ppm2      4.181 CV     1
 ASSI {  814}
   (( segid "PX14" and resid 68   and name HG1 ))
   (( segid "PX14" and resid 68   and name HB1 ))
      2.000     2.000     4.000 peak   814 spectrum    2 weight  0.11000E+01 volume  0.16921E-01 ppm1      2.547 ppm2      2.302 CV     1
 ASSI {  815}
   (( segid "PX14" and resid 65   and name HB2 ))
   (  segid "PX14" and resid 29   and name HG2%)
      3.600     3.600     2.400 peak   815 spectrum    2 weight  0.11000E+01 volume  0.11938E-02 ppm1      2.156 ppm2      0.792 CV     1
 ASSI {  816}
   (( segid "PX14" and resid 65   and name HB2 ))
   (( segid "PX14" and resid 65   and name HB1 ))
      2.000     2.000     4.000 peak   816 spectrum    2 weight  0.11000E+01 volume  0.80030E-02 ppm1      2.151 ppm2      2.554 CV     1
 ASSI {  817}
   (( segid "PX14" and resid 24   and name HB2 ))
   (( segid "PX14" and resid 24   and name HD2 ))
      5.900     4.300     0.100 peak   817 spectrum    2 weight  0.11000E+01 volume  0.61400E-04 ppm1      1.842 ppm2      3.600 CV     1
 ASSI {  819}
   (( segid "PX14" and resid 33   and name HB  ))
   (  segid "PX14" and resid 33   and name HG1%)
      2.700     0.900     0.900 peak   819 spectrum    2 weight  0.11000E+01 volume  0.29664E-02 ppm1      2.142 ppm2      1.163 CV     1
 ASSI {  820}
   (( segid "PX14" and resid 33   and name HB  ))
   (  segid "PX14" and resid 33   and name HG2%)
      2.400     0.700     0.700 peak   820 spectrum    2 weight  0.11000E+01 volume  0.52691E-02 ppm1      2.129 ppm2      0.707 CV     1
 ASSI {  821}
   (( segid "PX14" and resid 41   and name HB  ))
   (( segid "PX14" and resid 38   and name HB1 ))
      3.600     3.600     2.400 peak   821 spectrum    2 weight  0.11000E+01 volume  0.67540E-03 ppm1      2.021 ppm2      2.860 CV     1
 ASSI {  822}
   (( segid "PX14" and resid 41   and name HB  ))
   (( segid "PX14" and resid 37   and name HG1 ))
      2.800     2.800     3.200 peak   822 spectrum    2 weight  0.11000E+01 volume  0.41098E-02 ppm1      2.029 ppm2      2.669 CV     1
 ASSI {  826}
   (( segid "PX14" and resid 61   and name HB1 ))
   (( segid "PX14" and resid 61   and name HA  ))
      1.900     1.900     4.100 peak   826 spectrum    2 weight  0.11000E+01 volume  0.22583E-01 ppm1      2.080 ppm2      4.101 CV     1
 ASSI {  827}
   (( segid "PX14" and resid 61   and name HB1 ))
   (( segid "PX14" and resid 61   and name HG1 ))
      2.500     0.800     0.800 peak   827 spectrum    2 weight  0.11000E+01 volume  0.98690E-02 ppm1      2.055 ppm2      2.278 CV     1
 ASSI {  828}
   (( segid "PX14" and resid 69   and name HB1 ))
   (  segid "PX14" and resid 33   and name HG1%)
      3.200     1.300     1.300 peak   828 spectrum    2 weight  0.11000E+01 volume  0.11801E-02 ppm1      2.121 ppm2      1.169 CV     1
 ASSI {  829}
   (( segid "PX14" and resid 69   and name HB2 ))
   (  segid "PX14" and resid 33   and name HG1%)
      3.200     1.300     1.300 peak   829 spectrum    2 weight  0.11000E+01 volume  0.12806E-02 ppm1      1.926 ppm2      1.177 CV     1
 ASSI {  830}
   (( segid "PX14" and resid 34   and name HD1 ))
   (( segid "PX14" and resid 34   and name HE1 ))
      2.400     0.700     0.700 peak   830 spectrum    2 weight  0.11000E+01 volume  0.51554E-02 ppm1      1.638 ppm2      2.926 CV     1
 ASSI {  831}
   (( segid "PX14" and resid 29   and name HG12))
   (( segid "PX14" and resid 65   and name HB2 ))
      4.000     4.000     2.000 peak   831 spectrum    2 weight  0.11000E+01 volume  0.62588E-03 ppm1      1.059 ppm2      2.138 CV     1
 ASSI {  832}
   (( segid "PX14" and resid 29   and name HG12))
   (( segid "PX14" and resid 27   and name HD1 ))
      3.200     3.200     2.800 peak   832 spectrum    2 weight  0.11000E+01 volume  0.64118E-03 ppm1      1.074 ppm2      3.825 CV     1
 ASSI {  835}
   (( segid "PX14" and resid 68   and name HB1 ))
   (( segid "PX14" and resid 69   and name HG2 ))
      2.300     2.300     3.700 peak   835 spectrum    2 weight  0.11000E+01 volume  0.11033E-01 ppm1      2.248 ppm2      2.410 CV     1
 ASSI {  836}
   (( segid "PX14" and resid 54   and name HD1 ))
   (  segid "PX14" and resid 63   and name HG2%)
      2.800     2.800     3.200 peak   836 spectrum    2 weight  0.11000E+01 volume  0.35991E-02 ppm1      1.676 ppm2      0.680 CV     1
 ASSI {  837}
   (( segid "PX14" and resid 24   and name HG1 ))
   (( segid "PX14" and resid 24   and name HA  ))
      3.300     3.300     2.700 peak   837 spectrum    2 weight  0.11000E+01 volume  0.19310E-02 ppm1      2.093 ppm2      4.495 CV     1
 ASSI {  838}
   (( segid "PX14" and resid 24   and name HG2 ))
   (( segid "PX14" and resid 24   and name HB1 ))
      2.600     2.600     3.400 peak   838 spectrum    2 weight  0.11000E+01 volume  0.73733E-02 ppm1      1.936 ppm2      2.183 CV     1
 ASSI {  841}
   (( segid "PX14" and resid 77   and name HB1 ))
   (  segid "PX14" and resid 53   and name HD2%)
      2.500     2.500     3.500 peak   841 spectrum    2 weight  0.11000E+01 volume  0.31169E-02 ppm1      2.224 ppm2      1.008 CV     1
 ASSI {  842}
   (( segid "PX14" and resid 26   and name HB1 ))
   (( segid "PX14" and resid 26   and name HA  ))
      2.600     0.800     0.800 peak   842 spectrum    2 weight  0.11000E+01 volume  0.43681E-02 ppm1      2.089 ppm2      4.055 CV     1
 ASSI {  843}
   (( segid "PX14" and resid 26   and name HB1 ))
   (( segid "PX14" and resid 26   and name HG1 ))
      2.300     0.700     0.700 peak   843 spectrum    2 weight  0.11000E+01 volume  0.10291E-01 ppm1      2.129 ppm2      2.394 CV     1
 ASSI {  846}
   (  segid "PX14" and resid 53   and name HD2%)
   (  segid "PX14" and resid 67   and name HE% )
      2.400     2.400     3.600 peak   846 spectrum    2 weight  0.11000E+01 volume  0.52147E-02 ppm1      0.985 ppm2      7.117 CV     1
 ASSI {  847}
   (  segid "PX14" and resid 53   and name HD2%)
   (( segid "PX14" and resid 50   and name HA  ))
      2.500     2.500     3.500 peak   847 spectrum    2 weight  0.11000E+01 volume  0.61775E-02 ppm1      0.986 ppm2      3.896 CV     1
 ASSI {  849}
   (  segid "PX14" and resid 53   and name HD2%)
   (  segid "PX14" and resid 32   and name HB% )
      3.000     3.000     3.000 peak   849 spectrum    2 weight  0.11000E+01 volume  0.15715E-02 ppm1      0.977 ppm2      1.554 CV     1
 ASSI {  850}
   (  segid "PX14" and resid 53   and name HD2%)
   (  segid "PX14" and resid 63   and name HD1%)
      2.300     2.300     3.700 peak   850 spectrum    2 weight  0.11000E+01 volume  0.98471E-02 ppm1      0.981 ppm2      0.809 CV     1
 ASSI {  851}
   (  segid "PX14" and resid 53   and name HD2%)
   (  segid "PX14" and resid 63   and name HG2%)
      2.500     2.500     3.500 peak   851 spectrum    2 weight  0.11000E+01 volume  0.83310E-02 ppm1      0.972 ppm2      0.761 CV     1
 ASSI {  852}
   (  segid "PX14" and resid 53   and name HD2%)
   (  segid "PX14" and resid 36   and name HD1%)
      2.000     2.000     4.000 peak   852 spectrum    2 weight  0.11000E+01 volume  0.16651E-01 ppm1      0.977 ppm2      0.713 CV     1
 ASSI {  853}
   (  segid "PX14" and resid 53   and name HD2%)
   (  segid "PX14" and resid 36   and name HD2%)
      2.900     2.900     3.100 peak   853 spectrum    2 weight  0.11000E+01 volume  0.20758E-02 ppm1      0.981 ppm2      0.266 CV     1
 ASSI {  854}
   (  segid "PX14" and resid 58   and name HD1%)
   (( segid "PX14" and resid 29   and name HA  ))
      3.500     3.500     2.500 peak   854 spectrum    2 weight  0.11000E+01 volume  0.76751E-03 ppm1      0.727 ppm2      3.421 CV     1
 ASSI {  855}
   (  segid "PX14" and resid 58   and name HD1%)
   (( segid "PX14" and resid 63   and name HA  ))
      3.100     1.200     1.200 peak   855 spectrum    2 weight  0.11000E+01 volume  0.16419E-02 ppm1      0.721 ppm2      3.316 CV     1
 ASSI {  856}
   (  segid "PX14" and resid 58   and name HD1%)
   (( segid "PX14" and resid 62   and name HB1 ))
      3.000     1.100     1.100 peak   856 spectrum    2 weight  0.11000E+01 volume  0.15922E-02 ppm1      0.721 ppm2      2.509 CV     1
 ASSI {  857}
   (  segid "PX14" and resid 58   and name HD1%)
   (( segid "PX14" and resid 53   and name HB2 ))
      3.700     1.700     1.700 peak   857 spectrum    2 weight  0.11000E+01 volume  0.81277E-03 ppm1      0.727 ppm2      1.268 CV     1
 ASSI {  860}
   (( segid "PX14" and resid 28   and name HG  ))
   (( segid "PX14" and resid 28   and name HA  ))
      4.600     4.600     1.400 peak   860 spectrum    2 weight  0.11000E+01 volume  0.13500E-03 ppm1      1.625 ppm2      4.732 CV     1
 ASSI {  861}
   (( segid "PX14" and resid 36   and name HG  ))
   (  segid "PX14" and resid 67   and name HE% )
      2.900     2.900     3.100 peak   861 spectrum    2 weight  0.11000E+01 volume  0.16973E-02 ppm1      2.133 ppm2      7.110 CV     1
 ASSI {  862}
   (( segid "PX14" and resid 55   and name HG1 ))
   (( segid "PX14" and resid 54   and name HG1 ))
      2.400     2.400     3.600 peak   862 spectrum    2 weight  0.11000E+01 volume  0.39428E-02 ppm1      1.216 ppm2      1.503 CV     1
 ASSI {  863}
   (  segid "PX14" and resid 36   and name HD2%)
   (  segid "PX14" and resid 67   and name HD% )
      2.900     2.900     3.100 peak   863 spectrum    2 weight  0.11000E+01 volume  0.18397E-02 ppm1      0.257 ppm2      7.331 CV     1
 ASSI {  864}
   (  segid "PX14" and resid 36   and name HD2%)
   (  segid "PX14" and resid 67   and name HE% )
      2.800     1.000     1.000 peak   864 spectrum    2 weight  0.11000E+01 volume  0.19199E-02 ppm1      0.266 ppm2      7.120 CV     1
 ASSI {  865}
   (  segid "PX14" and resid 36   and name HD2%)
   (( segid "PX14" and resid 67   and name HA  ))
      3.500     1.500     1.500 peak   865 spectrum    2 weight  0.11000E+01 volume  0.76408E-03 ppm1      0.336 ppm2      0.000 CV     1
 ASSI {  869}
   (( segid "PX14" and resid 54   and name HG2 ))
   (( segid "PX14" and resid 55   and name HG1 ))
      2.100     2.100     3.900 peak   869 spectrum    2 weight  0.11000E+01 volume  0.90432E-02 ppm1      1.371 ppm2      1.198 CV     1
 ASSI {  870}
   (  segid "PX14" and resid 33   and name HG1%)
   (( segid "PX14" and resid 70   and name HA  ))
      3.800     1.800     1.800 peak   870 spectrum    2 weight  0.11000E+01 volume  0.45052E-03 ppm1      1.160 ppm2      4.328 CV     1
 ASSI {  874}
   (  segid "PX14" and resid 33   and name HG1%)
   (  segid "PX14" and resid 66   and name HB% )
      3.000     3.000     3.000 peak   874 spectrum    2 weight  0.11000E+01 volume  0.32179E-02 ppm1      1.189 ppm2      1.351 CV     1
 ASSI {  877}
   (  segid "PX14" and resid 33   and name HG1%)
   (  segid "PX14" and resid 36   and name HD2%)
      3.600     3.600     2.400 peak   877 spectrum    2 weight  0.11000E+01 volume  0.86503E-03 ppm1      1.181 ppm2      0.262 CV     1
 ASSI {  878}
   (  segid "PX14" and resid 46   and name HD2%)
   (  segid "PX14" and resid 67   and name HD% )
      2.600     2.600     3.400 peak   878 spectrum    2 weight  0.11000E+01 volume  0.21202E-02 ppm1      0.752 ppm2      7.314 CV     1
 ASSI {  879}
   (  segid "PX14" and resid 46   and name HD2%)
   (  segid "PX14" and resid 67   and name HE% )
      2.200     2.200     3.800 peak   879 spectrum    2 weight  0.11000E+01 volume  0.57438E-02 ppm1      0.734 ppm2      7.124 CV     1
 ASSI {  880}
   (  segid "PX14" and resid 46   and name HD2%)
   (( segid "PX14" and resid 67   and name HZ  ))
      2.600     2.600     3.400 peak   880 spectrum    2 weight  0.11000E+01 volume  0.22489E-02 ppm1      0.724 ppm2      6.989 CV     1
 ASSI {  881}
   (  segid "PX14" and resid 53   and name HD1%)
   (( segid "PX14" and resid 77   and name HB1 ))
      2.500     2.500     3.500 peak   881 spectrum    2 weight  0.11000E+01 volume  0.59970E-02 ppm1      0.751 ppm2      2.177 CV     1
 ASSI {  883}
   (  segid "PX14" and resid 23   and name HD1%)
   (( segid "PX14" and resid 25   and name HB2 ))
      2.800     2.800     3.200 peak   883 spectrum    2 weight  0.11000E+01 volume  0.52510E-02 ppm1      0.960 ppm2      1.894 CV     1
 ASSI {  885}
   (  segid "PX14" and resid 23   and name HD1%)
   (( segid "PX14" and resid 23   and name HB2 ))
      2.800     2.800     3.200 peak   885 spectrum    2 weight  0.11000E+01 volume  0.25290E-02 ppm1      0.924 ppm2      1.634 CV     1
 ASSI {  888}
   (( segid "PX14" and resid 56   and name HG2 ))
   (  segid "PX19" and resid 110  and name HE% )
      4.200     4.200     1.800 peak   888 spectrum    2 weight  0.11000E+01 volume  0.29960E-03 ppm1     -0.474 ppm2      7.091 CV     1
 ASSI {  890}
   (  segid "PX14" and resid 36   and name HD1%)
   (( segid "PX14" and resid 33   and name HA  ))
      2.900     2.900     3.100 peak   890 spectrum    2 weight  0.11000E+01 volume  0.19043E-02 ppm1      0.691 ppm2      3.344 CV     1
 ASSI {  895}
   (( segid "PX14" and resid 56   and name HG2 ))
   (( segid "PX14" and resid 56   and name HB2 ))
      2.900     1.000     1.000 peak   895 spectrum    2 weight  0.11000E+01 volume  0.16365E-02 ppm1     -0.487 ppm2      1.213 CV     1
 ASSI {  899}
   (  segid "PX14" and resid 59   and name HG2%)
   (  segid "PX14" and resid 22   and name HG1%)
      2.400     2.400     3.600 peak   899 spectrum    2 weight  0.11000E+01 volume  0.57117E-02 ppm1      1.263 ppm2      0.912 CV     1
 ASSI {  917}
   (  segid "PX14" and resid 31   and name HG2%)
   (( segid "PX19" and resid 110  and name HA  ))
      2.900     2.900     3.100 peak   917 spectrum    2 weight  0.11000E+01 volume  0.20647E-02 ppm1      0.469 ppm2      4.285 CV     1
 ASSI {  926}
   (  segid "PX14" and resid 32   and name HB% )
   (( segid "PX14" and resid 29   and name HA  ))
      2.800     1.000     1.000 peak   926 spectrum    2 weight  0.11000E+01 volume  0.21277E-02 ppm1      1.547 ppm2      3.427 CV     1
 ASSI {  929}
   (  segid "PX14" and resid 32   and name HB% )
   (  segid "PX14" and resid 58   and name HD1%)
      2.700     2.700     3.300 peak   929 spectrum    2 weight  0.11000E+01 volume  0.35038E-02 ppm1      1.540 ppm2      0.725 CV     1
 ASSI {  933}
   (  segid "PX14" and resid 32   and name HB% )
   (  segid "PX14" and resid 66   and name HB% )
      1.700     1.700     4.300 peak   933 spectrum    2 weight  0.11000E+01 volume  0.37746E-01 ppm1      1.519 ppm2      1.372 CV     1
 ASSI {  938}
   (  segid "PX14" and resid 73   and name HB% )
   (( segid "PX14" and resid 67   and name HB2 ))
      3.200     3.200     2.800 peak   938 spectrum    2 weight  0.11000E+01 volume  0.65714E-03 ppm1      1.369 ppm2      3.078 CV     1
 ASSI {  942}
   (  segid "PX14" and resid 66   and name HB% )
   (  segid "PX14" and resid 67   and name HD% )
      3.200     3.200     2.800 peak   942 spectrum    2 weight  0.11000E+01 volume  0.14349E-02 ppm1      1.368 ppm2      7.316 CV     1
 ASSI {  944}
   (  segid "PX14" and resid 66   and name HB% )
   (  segid "PX14" and resid 28   and name HD1%)
      3.000     3.000     3.000 peak   944 spectrum    2 weight  0.11000E+01 volume  0.10674E-02 ppm1      1.349 ppm2      0.988 CV     1
 ASSI {  945}
   (  segid "PX14" and resid 66   and name HB% )
   (  segid "PX14" and resid 63   and name HG2%)
      2.600     2.600     3.400 peak   945 spectrum    2 weight  0.11000E+01 volume  0.62196E-02 ppm1      1.345 ppm2      0.736 CV     1
 ASSI {  946}
   (  segid "PX14" and resid 66   and name HB% )
   (  segid "PX14" and resid 36   and name HD1%)
      3.000     3.000     3.000 peak   946 spectrum    2 weight  0.11000E+01 volume  0.17650E-02 ppm1      1.345 ppm2      0.693 CV     1
 ASSI {  947}
   (  segid "PX14" and resid 66   and name HB% )
   (  segid "PX14" and resid 36   and name HD2%)
      2.600     2.600     3.400 peak   947 spectrum    2 weight  0.11000E+01 volume  0.40569E-02 ppm1      1.349 ppm2      0.264 CV     1
 ASSI {  953}
   (  segid "PX14" and resid 30   and name HB% )
   (( segid "PX14" and resid 27   and name HA  ))
      2.900     1.000     1.000 peak   953 spectrum    2 weight  0.11000E+01 volume  0.21776E-02 ppm1      1.417 ppm2      4.377 CV     1
 ASSI {  955}
   (  segid "PX14" and resid 63   and name HD1%)
   (  segid "PX14" and resid 67   and name HD% )
      2.600     2.600     3.400 peak   955 spectrum    2 weight  0.11000E+01 volume  0.36037E-02 ppm1      0.810 ppm2      7.313 CV     1
 ASSI {  956}
   (  segid "PX14" and resid 63   and name HD1%)
   (  segid "PX14" and resid 67   and name HE% )
      2.500     2.500     3.500 peak   956 spectrum    2 weight  0.11000E+01 volume  0.34170E-02 ppm1      0.821 ppm2      7.115 CV     1
 ASSI {  957}
   (  segid "PX14" and resid 63   and name HD1%)
   (( segid "PX14" and resid 63   and name HA  ))
      3.500     1.500     1.500 peak   957 spectrum    2 weight  0.11000E+01 volume  0.19976E-02 ppm1      0.802 ppm2      3.310 CV     1
 ASSI {  958}
   (  segid "PX14" and resid 63   and name HD1%)
   (( segid "PX14" and resid 63   and name HB  ))
      2.100     0.500     0.500 peak   958 spectrum    2 weight  0.11000E+01 volume  0.12431E-01 ppm1      0.798 ppm2      1.919 CV     1
 ASSI {  971}
   (  segid "PX14" and resid 65   and name HE% )
   (  segid "PX14" and resid 29   and name HD1%)
      2.800     2.800     3.200 peak   971 spectrum    2 weight  0.11000E+01 volume  0.13459E-02 ppm1      2.061 ppm2      0.911 CV     1
 ASSI {  972}
   (  segid "PX14" and resid 65   and name HE% )
   (  segid "PX14" and resid 29   and name HG2%)
      4.100     4.100     1.900 peak   972 spectrum    2 weight  0.11000E+01 volume  0.14138E-03 ppm1      2.061 ppm2      0.793 CV     1
 ASSI {  976}
   (  segid "PX14" and resid 29   and name HG2%)
   (( segid "PX14" and resid 30   and name HA  ))
      3.000     3.000     3.000 peak   976 spectrum    2 weight  0.11000E+01 volume  0.18585E-02 ppm1      0.794 ppm2      4.055 CV     1
 ASSI {  980}
   (  segid "PX14" and resid 29   and name HG2%)
   (  segid "PX14" and resid 66   and name HB% )
      3.000     1.100     1.100 peak   980 spectrum    2 weight  0.11000E+01 volume  0.15146E-02 ppm1      0.757 ppm2      1.332 CV     1
 ASSI {  981}
   (  segid "PX14" and resid 29   and name HG2%)
   (  segid "PX14" and resid 33   and name HG1%)
      3.100     1.200     1.200 peak   981 spectrum    2 weight  0.11000E+01 volume  0.30313E-02 ppm1      0.751 ppm2      1.166 CV     1
 ASSI {  991}
   (  segid "PX14" and resid 29   and name HD1%)
   (( segid "PX14" and resid 30   and name HA  ))
      2.300     2.300     3.700 peak   991 spectrum    2 weight  0.11000E+01 volume  0.46378E-02 ppm1      0.906 ppm2      4.070 CV     1
 ASSI {  999}
   (  segid "PX14" and resid 63   and name HG2%)
   (( segid "PX14" and resid 60   and name HA  ))
      2.500     2.500     3.500 peak   999 spectrum    2 weight  0.11000E+01 volume  0.35888E-02 ppm1      0.698 ppm2      4.226 CV     1
 ASSI { 1002}
   (  segid "PX14" and resid 63   and name HG2%)
   (( segid "PX14" and resid 63   and name HA  ))
      3.400     1.500     1.500 peak  1002 spectrum    2 weight  0.11000E+01 volume  0.10442E-02 ppm1      0.684 ppm2      3.311 CV     1
 ASSI { 1004}
   (  segid "PX14" and resid 63   and name HG2%)
   (( segid "PX14" and resid 63   and name HB  ))
      2.500     0.800     0.800 peak  1004 spectrum    2 weight  0.11000E+01 volume  0.34397E-02 ppm1      0.675 ppm2      1.932 CV     1
 ASSI { 1005}
   (  segid "PX14" and resid 63   and name HG2%)
   (( segid "PX14" and resid 50   and name HB2 ))
      2.300     2.300     3.700 peak  1005 spectrum    2 weight  0.11000E+01 volume  0.47417E-02 ppm1      0.701 ppm2      1.837 CV     1
 ASSI { 1007}
   (  segid "PX14" and resid 63   and name HG2%)
   (( segid "PX14" and resid 54   and name HG1 ))
      3.200     1.300     1.300 peak  1007 spectrum    2 weight  0.11000E+01 volume  0.11853E-02 ppm1      0.680 ppm2      1.544 CV     1
 ASSI { 1011}
   (  segid "PX14" and resid 63   and name HG2%)
   (  segid "PX14" and resid 63   and name HD1%)
      2.300     2.300     3.700 peak  1011 spectrum    2 weight  0.11000E+01 volume  0.68275E-02 ppm1      0.694 ppm2      0.823 CV     1
 ASSI { 1034}
   (( segid "PX14" and resid 24   and name HD1 ))
   (( segid "PX14" and resid 23   and name HB1 ))
      5.600     3.900     0.400 peak  1034 spectrum    2 weight  0.11000E+01 volume  0.12628E-03 ppm1      3.893 ppm2      1.548 CV     1
 ASSI { 1035}
   (( segid "PX14" and resid 24   and name HD1 ))
   (( segid "PX14" and resid 23   and name HB2 ))
      5.800     4.300     0.200 peak  1035 spectrum    2 weight  0.11000E+01 volume  0.11571E-03 ppm1      3.895 ppm2      1.601 CV     1
 ASSI { 1036}
   (( segid "PX14" and resid 24   and name HD2 ))
   (( segid "PX14" and resid 23   and name HB2 ))
      4.800     2.800     1.200 peak  1036 spectrum    2 weight  0.11000E+01 volume  0.32405E-03 ppm1      3.586 ppm2      1.606 CV     1
 ASSI { 1038}
   (( segid "PX14" and resid 63   and name HB  ))
   (( segid "PX14" and resid 63   and name HA  ))
      3.200     3.200     2.800 peak  1038 spectrum    2 weight  0.11000E+01 volume  0.10187E-02 ppm1      1.915 ppm2      3.321 CV     1
 ASSI { 1045}
   (( segid "PX14" and resid 49   and name HD2 ))
   (  segid "PX14" and resid 41   and name HG2%)
      3.000     1.100     1.100 peak  1045 spectrum    2 weight  0.11000E+01 volume  0.10448E-02 ppm1      2.775 ppm2      0.014 CV     1
 ASSI { 1048}
   (( segid "PX14" and resid 36   and name HA  ))
   (  segid "PX14" and resid 41   and name HG2%)
      3.900     1.900     1.900 peak  1048 spectrum    2 weight  0.11000E+01 volume  0.48018E-03 ppm1      3.596 ppm2     -0.004 CV     1
 ASSI { 1049}
   (( segid "PX14" and resid 37   and name HG1 ))
   (  segid "PX14" and resid 33   and name HG2%)
      3.600     1.600     1.600 peak  1049 spectrum    2 weight  0.11000E+01 volume  0.64746E-03 ppm1      2.726 ppm2      0.722 CV     1
 ASSI { 1051}
   (  segid "PX14" and resid 33   and name HG2%)
   (( segid "PX14" and resid 37   and name HG2 ))
      5.400     3.600     0.600 peak  1051 spectrum    2 weight  0.11000E+01 volume  0.11673E-03 ppm1      0.665 ppm2      2.270 CV     1
 ASSI { 1060}
   (( segid "PX14" and resid 66   and name HA  ))
   (( segid "PX14" and resid 69   and name HB1 ))
      3.800     3.800     2.200 peak  1060 spectrum    2 weight  0.11000E+01 volume  0.74535E-03 ppm1      3.925 ppm2      2.160 CV     1
 ASSI { 1061}
   (( segid "PX14" and resid 50   and name HA  ))
   (  segid "PX14" and resid 63   and name HG2%)
      3.700     1.700     1.700 peak  1061 spectrum    2 weight  0.11000E+01 volume  0.10148E-02 ppm1      3.908 ppm2      0.682 CV     1
 ASSI { 1064}
   (  segid "PX14" and resid 63   and name HD1%)
   (( segid "PX14" and resid 50   and name HA  ))
      3.000     1.100     1.100 peak  1064 spectrum    2 weight  0.11000E+01 volume  0.14112E-02 ppm1      0.802 ppm2      3.928 CV     1
 ASSI { 1071}
   (( segid "PX14" and resid 61   and name HA  ))
   (( segid "PX14" and resid 61   and name HB2 ))
      2.900     1.000     1.000 peak  1071 spectrum    2 weight  0.11000E+01 volume  0.21814E-02 ppm1      4.106 ppm2      1.878 CV     1
 ASSI { 1074}
   (( segid "PX14" and resid 81   and name HB1 ))
   (( segid "PX14" and resid 81   and name HA  ))
      3.200     1.300     1.300 peak  1074 spectrum    2 weight  0.11000E+01 volume  0.12123E-02 ppm1      3.311 ppm2      4.505 CV     1
 ASSI { 1075}
   (( segid "PX14" and resid 81   and name HB2 ))
   (( segid "PX14" and resid 81   and name HA  ))
      3.600     1.600     1.600 peak  1075 spectrum    2 weight  0.11000E+01 volume  0.70799E-03 ppm1      3.118 ppm2      4.506 CV     1
 ASSI { 1076}
   (( segid "PX14" and resid 81   and name HB2 ))
   (( segid "PX14" and resid 81   and name HB1 ))
      2.500     0.800     0.800 peak  1076 spectrum    2 weight  0.11000E+01 volume  0.31372E-02 ppm1      3.128 ppm2      3.295 CV     1
 ASSI { 1078}
   (( segid "PX14" and resid 30   and name HA  ))
   (  segid "PX14" and resid 33   and name HG1%)
      4.300     2.300     1.700 peak  1078 spectrum    2 weight  0.11000E+01 volume  0.33639E-03 ppm1      4.037 ppm2      1.169 CV     1
 ASSI { 1080}
   (  segid "PX14" and resid 53   and name HD2%)
   (  segid "PX14" and resid 67   and name HD% )
      3.500     3.500     2.500 peak  1080 spectrum    2 weight  0.11000E+01 volume  0.66446E-03 ppm1      0.985 ppm2      7.316 CV     1
 ASSI { 1082}
   (( segid "PX14" and resid 49   and name HD1 ))
   (  segid "PX14" and resid 67   and name HE% )
      4.900     3.000     1.100 peak  1082 spectrum    2 weight  0.11000E+01 volume  0.11567E-03 ppm1      3.284 ppm2      7.103 CV     1
 ASSI { 1085}
   (( segid "PX14" and resid 49   and name HD1 ))
   (  segid "PX14" and resid 67   and name HD% )
      5.300     5.300     0.700 peak  1085 spectrum    2 weight  0.11000E+01 volume  0.10540E-03 ppm1      3.318 ppm2      7.284 CV     1
 ASSI { 1086}
   (( segid "PX14" and resid 50   and name HD1 ))
   (( segid "PX14" and resid 67   and name HZ  ))
      4.100     2.100     1.900 peak  1086 spectrum    2 weight  0.11000E+01 volume  0.37495E-03 ppm1      3.165 ppm2      7.017 CV     1
 ASSI { 1087}
   (( segid "PX14" and resid 50   and name HD1 ))
   (  segid "PX14" and resid 67   and name HE% )
      3.200     3.200     2.800 peak  1087 spectrum    2 weight  0.11000E+01 volume  0.89010E-03 ppm1      3.165 ppm2      7.118 CV     1
 ASSI { 1088}
   (( segid "PX14" and resid 50   and name HD1 ))
   (  segid "PX14" and resid 67   and name HD% )
      3.800     3.800     2.200 peak  1088 spectrum    2 weight  0.11000E+01 volume  0.41485E-03 ppm1      3.160 ppm2      7.316 CV     1
 ASSI { 1089}
   (( segid "PX14" and resid 72   and name HB  ))
   (  segid "PX14" and resid 67   and name HD% )
      4.200     2.200     1.800 peak  1089 spectrum    2 weight  0.11000E+01 volume  0.32085E-03 ppm1      4.167 ppm2      7.306 CV     1
 ASSI { 1090}
   (  segid "PX14" and resid 32   and name HB% )
   (  segid "PX14" and resid 67   and name HE% )
      3.400     3.400     2.600 peak  1090 spectrum    2 weight  0.11000E+01 volume  0.12014E-02 ppm1      1.559 ppm2      7.091 CV     1
 ASSI { 1091}
   (  segid "PX14" and resid 63   and name HG2%)
   (  segid "PX14" and resid 67   and name HE% )
      4.200     4.200     1.800 peak  1091 spectrum    2 weight  0.11000E+01 volume  0.37267E-03 ppm1      0.692 ppm2      7.112 CV     1
 ASSI { 1092}
   (  segid "PX14" and resid 63   and name HG2%)
   (  segid "PX14" and resid 67   and name HD% )
      4.400     4.400     1.600 peak  1092 spectrum    2 weight  0.11000E+01 volume  0.21607E-03 ppm1      0.692 ppm2      7.307 CV     1
 ASSI { 1093}
   (  segid "PX14" and resid 66   and name HB% )
   (  segid "PX14" and resid 67   and name HE% )
      6.000     4.500     0.000 peak  1093 spectrum    2 weight  0.11000E+01 volume  0.00000E+00 ppm1      1.347 ppm2      7.107 CV     1
 ASSI { 1094}
   (  segid "PX14" and resid 32   and name HB% )
   (  segid "PX14" and resid 58   and name HD2%)
      4.000     4.000     2.000 peak  1094 spectrum    2 weight  0.11000E+01 volume  0.28081E-03 ppm1      1.555 ppm2      0.914 CV     1
 ASSI { 1095}
   (  segid "PX14" and resid 32   and name HB% )
   (  segid "PX14" and resid 36   and name HD2%)
      3.900     1.900     1.900 peak  1095 spectrum    2 weight  0.11000E+01 volume  0.32694E-03 ppm1      1.510 ppm2      0.250 CV     1
 ASSI { 1096}
   (  segid "PX14" and resid 33   and name HG2%)
   (( segid "PX14" and resid 33   and name HA  ))
      2.600     0.800     0.800 peak  1096 spectrum    2 weight  0.11000E+01 volume  0.39205E-02 ppm1      0.703 ppm2      3.349 CV     1
 ASSI { 1100}
   (( segid "PX14" and resid 62   and name HG1 ))
   (( segid "PX14" and resid 24   and name HA  ))
      4.700     2.700     1.300 peak  1100 spectrum    2 weight  0.11000E+01 volume  0.12967E-03 ppm1      2.451 ppm2      4.488 CV     1
 ASSI { 1101}
   (( segid "PX14" and resid 62   and name HG2 ))
   (( segid "PX14" and resid 24   and name HA  ))
      4.900     3.000     1.100 peak  1101 spectrum    2 weight  0.11000E+01 volume  0.10675E-03 ppm1      2.156 ppm2      4.483 CV     1
 ASSI { 1102}
   (( segid "PX14" and resid 62   and name HG1 ))
   (  segid "PX14" and resid 29   and name HD1%)
      3.200     1.300     1.300 peak  1102 spectrum    2 weight  0.11000E+01 volume  0.96270E-03 ppm1      2.442 ppm2      0.914 CV     1
 ASSI { 1105}
   (( segid "PX14" and resid 36   and name HB1 ))
   (  segid "PX14" and resid 67   and name HE% )
      4.100     4.100     1.900 peak  1105 spectrum    2 weight  0.11000E+01 volume  0.19832E-03 ppm1      1.706 ppm2      7.116 CV     1
 ASSI { 1106}
   (( segid "PX14" and resid 36   and name HB2 ))
   (  segid "PX14" and resid 35   and name HD% )
      4.600     4.600     1.400 peak  1106 spectrum    2 weight  0.11000E+01 volume  0.21944E-03 ppm1      1.311 ppm2      7.108 CV     1
 ASSI { 1107}
   (  segid "PX14" and resid 32   and name HB% )
   (  segid "PX14" and resid 67   and name HD% )
      5.700     5.700     0.300 peak  1107 spectrum    2 weight  0.11000E+01 volume  0.44192E-04 ppm1      1.536 ppm2      7.301 CV     1
 ASSI { 1108}
   (  segid "PX14" and resid 32   and name HB% )
   (  segid "PX14" and resid 35   and name HE% )
      4.900     4.900     1.100 peak  1108 spectrum    2 weight  0.11000E+01 volume  0.10519E-03 ppm1      1.527 ppm2      6.802 CV     1
 ASSI { 1113}
   (  segid "PX14" and resid 41   and name HG2%)
   (  segid "PX14" and resid 35   and name HE% )
      2.900     2.900     3.100 peak  1113 spectrum    2 weight  0.11000E+01 volume  0.16403E-02 ppm1      0.012 ppm2      6.816 CV     1
 ASSI { 1116}
   (  segid "PX14" and resid 41   and name HG2%)
   (( segid "PX19" and resid 106  and name HZ  ))
      3.700     3.700     2.300 peak  1116 spectrum    2 weight  0.11000E+01 volume  0.59815E-03 ppm1      0.022 ppm2      7.297 CV     1
 ASSI { 1117}
   (  segid "PX14" and resid 63   and name HD1%)
   (( segid "PX14" and resid 67   and name HZ  ))
      4.000     4.000     2.000 peak  1117 spectrum    2 weight  0.11000E+01 volume  0.51543E-03 ppm1      0.812 ppm2      7.009 CV     1
 ASSI { 1118}
   (( segid "PX14" and resid 40   and name HD1 ))
   (( segid "PX14" and resid 40   and name HG1 ))
      2.600     2.600     3.400 peak  1118 spectrum    2 weight  0.11000E+01 volume  0.39544E-02 ppm1      2.927 ppm2      1.662 CV     1
 ASSI { 1121}
   (( segid "PX14" and resid 40   and name HD1 ))
   (( segid "PX14" and resid 40   and name HA  ))
      3.600     3.600     2.400 peak  1121 spectrum    2 weight  0.11000E+01 volume  0.14580E-02 ppm1      2.907 ppm2      4.173 CV     1
 ASSI { 1122}
   (( segid "PX14" and resid 40   and name HD2 ))
   (( segid "PX14" and resid 40   and name HA  ))
      4.100     2.100     1.900 peak  1122 spectrum    2 weight  0.11000E+01 volume  0.86219E-03 ppm1      2.633 ppm2      4.169 CV     1
 ASSI { 1128}
   (( segid "PX14" and resid 58   and name HB1 ))
   (( segid "PX14" and resid 62   and name HB1 ))
      4.400     4.400     1.600 peak  1128 spectrum    2 weight  0.11000E+01 volume  0.17951E-03 ppm1      1.927 ppm2      2.476 CV     1
 OR { 1128}
   (( segid "PX14" and resid 58   and name HB1 ))
   (( segid "PX14" and resid 62   and name HG1 ))
 ASSI { 1130}
   (( segid "PX14" and resid 32   and name HA  ))
   (( segid "PX14" and resid 35   and name HB1 ))
      2.700     0.900     0.900 peak  1130 spectrum    2 weight  0.11000E+01 volume  0.19597E-02 ppm1      4.120 ppm2      3.520 CV     1
 ASSI { 1132}
   (( segid "PX14" and resid 68   and name HA  ))
   (( segid "PX14" and resid 69   and name HB1 ))
      2.600     2.600     3.400 peak  1132 spectrum    2 weight  0.11000E+01 volume  0.90701E-02 ppm1      4.113 ppm2      2.153 CV     1
 ASSI { 1133}
   (( segid "PX14" and resid 68   and name HA  ))
   (  segid "PX14" and resid 72   and name HG2%)
      3.600     3.600     2.400 peak  1133 spectrum    2 weight  0.11000E+01 volume  0.82443E-03 ppm1      4.125 ppm2      0.912 CV     1
 ASSI { 1134}
   (( segid "PX14" and resid 49   and name HB2 ))
   (  segid "PX14" and resid 36   and name HD1%)
      3.600     3.600     2.400 peak  1134 spectrum    2 weight  0.11000E+01 volume  0.17215E-02 ppm1      1.764 ppm2      0.702 CV     1
 ASSI { 1135}
   (( segid "PX14" and resid 37   and name HA  ))
   (  segid "PX14" and resid 33   and name HG2%)
      2.600     2.600     3.400 peak  1135 spectrum    2 weight  0.11000E+01 volume  0.24848E-02 ppm1      4.094 ppm2      0.718 CV     1
 ASSI { 1136}
   (( segid "PX14" and resid 38   and name HA  ))
   (( segid "PX14" and resid 38   and name HB1 ))
      2.600     2.600     3.400 peak  1136 spectrum    2 weight  0.11000E+01 volume  0.52989E-02 ppm1      4.416 ppm2      2.861 CV     1
 ASSI { 1139}
   (( segid "PX14" and resid 38   and name HB1 ))
   (  segid "PX19" and resid 109  and name HD1%)
      3.500     3.500     2.500 peak  1139 spectrum    2 weight  0.11000E+01 volume  0.77020E-03 ppm1      2.867 ppm2      0.799 CV     1
 ASSI { 1140}
   (( segid "PX14" and resid 37   and name HG1 ))
   (( segid "PX14" and resid 70   and name HB2 ))
      3.600     1.600     1.600 peak  1140 spectrum    2 weight  0.11000E+01 volume  0.50712E-03 ppm1      2.730 ppm2      3.913 CV     1
 ASSI { 1141}
   (( segid "PX14" and resid 37   and name HG2 ))
   (( segid "PX14" and resid 70   and name HB2 ))
      3.600     3.600     2.400 peak  1141 spectrum    2 weight  0.11000E+01 volume  0.87130E-03 ppm1      2.312 ppm2      3.906 CV     1
 ASSI { 1145}
   (( segid "PX14" and resid 69   and name HG2 ))
   (  segid "PX14" and resid 33   and name HG1%)
      4.200     2.200     1.800 peak  1145 spectrum    2 weight  0.11000E+01 volume  0.28223E-03 ppm1      2.368 ppm2      1.176 CV     1
 ASSI { 1146}
   (( segid "PX14" and resid 69   and name HG1 ))
   (  segid "PX14" and resid 33   and name HG1%)
      4.400     4.400     1.600 peak  1146 spectrum    2 weight  0.11000E+01 volume  0.21302E-03 ppm1      2.641 ppm2      1.175 CV     1
 ASSI { 1152}
   (( segid "PX14" and resid 70   and name HB2 ))
   (( segid "PX14" and resid 33   and name HA  ))
      4.100     4.100     1.900 peak  1152 spectrum    2 weight  0.11000E+01 volume  0.27230E-03 ppm1      3.918 ppm2      3.352 CV     1
 ASSI { 1157}
   (( segid "PX14" and resid 70   and name HB1 ))
   (( segid "PX14" and resid 37   and name HG1 ))
      3.900     3.900     2.100 peak  1157 spectrum    2 weight  0.11000E+01 volume  0.32014E-03 ppm1      4.087 ppm2      2.748 CV     1
 ASSI { 1158}
   (( segid "PX14" and resid 70   and name HB2 ))
   (  segid "PX14" and resid 33   and name HG1%)
      3.600     3.600     2.400 peak  1158 spectrum    2 weight  0.11000E+01 volume  0.31987E-03 ppm1      3.923 ppm2      1.179 CV     1
 ASSI { 1159}
   (  segid "PX14" and resid 36   and name HD2%)
   (( segid "PX14" and resid 70   and name HB2 ))
      4.600     4.600     1.400 peak  1159 spectrum    2 weight  0.11000E+01 volume  0.14952E-03 ppm1      0.343 ppm2      3.875 CV     1
 ASSI { 1160}
   (  segid "PX14" and resid 36   and name HD2%)
   (( segid "PX14" and resid 70   and name HB1 ))
      3.700     3.700     2.300 peak  1160 spectrum    2 weight  0.11000E+01 volume  0.51037E-03 ppm1      0.333 ppm2      4.016 CV     1
 ASSI { 1161}
   (( segid "PX14" and resid 44   and name HB1 ))
   (( segid "PX14" and resid 44   and name HA  ))
      2.400     0.700     0.700 peak  1161 spectrum    2 weight  0.11000E+01 volume  0.66043E-02 ppm1      4.084 ppm2      4.910 CV     1
 ASSI { 1163}
   (  segid "PX14" and resid 29   and name HD1%)
   (( segid "PX14" and resid 29   and name HA  ))
      3.400     1.400     1.400 peak  1163 spectrum    2 weight  0.11000E+01 volume  0.98719E-03 ppm1      0.913 ppm2      3.425 CV     1
 ASSI { 1168}
   (( segid "PX14" and resid 56   and name HG1 ))
   (( segid "PX14" and resid 56   and name HD1 ))
      3.800     3.800     2.200 peak  1168 spectrum    2 weight  0.11000E+01 volume  0.41946E-03 ppm1      0.146 ppm2      1.073 CV     1
 ASSI { 1170}
   (  segid "PX14" and resid 53   and name HD2%)
   (( segid "PX14" and resid 58   and name HB1 ))
      3.700     3.700     2.300 peak  1170 spectrum    2 weight  0.11000E+01 volume  0.99324E-03 ppm1      0.972 ppm2      1.941 CV     1
 ASSI { 1171}
   (( segid "PX14" and resid 63   and name HA  ))
   (  segid "PX14" and resid 67   and name HE% )
      4.400     2.400     1.600 peak  1171 spectrum    2 weight  0.11000E+01 volume  0.19900E-03 ppm1      3.283 ppm2      7.100 CV     1
 ASSI { 1172}
   (( segid "PX14" and resid 35   and name HA  ))
   (( segid "PX14" and resid 38   and name HB1 ))
      6.000     6.000     0.000 peak  1172 spectrum    2 weight  0.11000E+01 volume  0.83813E-05 ppm1      4.388 ppm2      2.815 CV     1
 ASSI { 1176}
   (( segid "PX14" and resid 53   and name HB1 ))
   (( segid "PX14" and resid 50   and name HA  ))
      3.900     1.900     1.900 peak  1176 spectrum    2 weight  0.11000E+01 volume  0.70713E-03 ppm1      2.035 ppm2      3.915 CV     1
 ASSI { 1177}
   (( segid "PX14" and resid 44   and name HA  ))
   (( segid "PX14" and resid 45   and name HD2 ))
      3.500     1.500     1.500 peak  1177 spectrum    2 weight  0.11000E+01 volume  0.83186E-03 ppm1      4.899 ppm2      3.674 CV     1
 ASSI { 1178}
   (( segid "PX14" and resid 38   and name HA  ))
   (( segid "PX14" and resid 38   and name HB2 ))
      2.900     1.000     1.000 peak  1178 spectrum    2 weight  0.11000E+01 volume  0.20841E-02 ppm1      4.406 ppm2      2.669 CV     1
 ASSI { 1179}
   (  segid "PX14" and resid 72   and name HG2%)
   (( segid "PX14" and resid 37   and name HA  ))
      2.400     2.400     3.600 peak  1179 spectrum    2 weight  0.11000E+01 volume  0.42706E-02 ppm1      0.910 ppm2      4.126 CV     1
 ASSI { 1180}
   (( segid "PX14" and resid 72   and name HB  ))
   (( segid "PX14" and resid 67   and name HB2 ))
      6.000     6.000     0.000 peak  1180 spectrum    2 weight  0.11000E+01 volume  0.87166E-04 ppm1      4.216 ppm2      3.056 CV     1
 ASSI { 1183}
   (  segid "PX14" and resid 36   and name HD2%)
   (( segid "PX14" and resid 72   and name HB  ))
      6.000     6.000     0.000 peak  1183 spectrum    2 weight  0.11000E+01 volume  0.20475E-04 ppm1      0.370 ppm2      4.313 CV     1
 ASSI { 1186}
   (( segid "PX14" and resid 33   and name HA  ))
   (( segid "PX14" and resid 36   and name HB2 ))
      3.500     3.500     2.500 peak  1186 spectrum    2 weight  0.11000E+01 volume  0.47351E-03 ppm1      3.366 ppm2      1.351 CV     1
 ASSI { 1187}
   (( segid "PX14" and resid 70   and name HB1 ))
   (( segid "PX14" and resid 36   and name HB1 ))
      3.900     3.900     2.100 peak  1187 spectrum    2 weight  0.11000E+01 volume  0.34259E-03 ppm1      4.099 ppm2      1.836 CV     1
 ASSI { 1188}
   (( segid "PX14" and resid 36   and name HB1 ))
   (( segid "PX14" and resid 70   and name HB2 ))
      4.000     4.000     2.000 peak  1188 spectrum    2 weight  0.11000E+01 volume  0.31307E-03 ppm1      1.834 ppm2      3.911 CV     1
 ASSI { 1191}
   (( segid "PX14" and resid 67   and name HA  ))
   (( segid "PX14" and resid 70   and name HB2 ))
      2.300     2.300     3.700 peak  1191 spectrum    2 weight  0.11000E+01 volume  0.72563E-02 ppm1      4.007 ppm2      3.849 CV     1
 ASSI { 1192}
   (( segid "PX14" and resid 44   and name HA  ))
   (( segid "PX14" and resid 44   and name HB2 ))
      3.100     1.200     1.200 peak  1192 spectrum    2 weight  0.11000E+01 volume  0.13579E-02 ppm1      4.913 ppm2      4.098 CV     1
 ASSI { 1193}
   (( segid "PX14" and resid 58   and name HB2 ))
   (( segid "PX14" and resid 62   and name HB1 ))
      3.900     3.900     2.100 peak  1193 spectrum    2 weight  0.11000E+01 volume  0.45243E-03 ppm1      1.186 ppm2      2.471 CV     1
 OR { 1193}
   (( segid "PX14" and resid 58   and name HB2 ))
   (( segid "PX14" and resid 62   and name HG1 ))
 ASSI { 1195}
   (( segid "PX14" and resid 24   and name HG1 ))
   (  segid "PX14" and resid 23   and name HD1%)
      4.400     2.400     1.600 peak  1195 spectrum    2 weight  0.11000E+01 volume  0.53056E-03 ppm1      2.046 ppm2      0.900 CV     1
 ASSI { 1197}
   (  segid "PX14" and resid 41   and name HG2%)
   (  segid "PX14" and resid 36   and name HD1%)
      3.100     1.200     1.200 peak  1197 spectrum    2 weight  0.11000E+01 volume  0.25744E-02 ppm1      0.003 ppm2      0.692 CV     1
 ASSI { 1198}
   (( segid "PX14" and resid 38   and name HB1 ))
   (  segid "PX14" and resid 41   and name HG1%)
      4.400     4.400     1.600 peak  1198 spectrum    2 weight  0.11000E+01 volume  0.47318E-03 ppm1      2.862 ppm2      0.299 CV     1
 ASSI { 1199}
   (( segid "PX14" and resid 61   and name HB2 ))
   (( segid "PX14" and resid 61   and name HG1 ))
      2.100     2.100     3.900 peak  1199 spectrum    2 weight  0.11000E+01 volume  0.10060E-01 ppm1      1.921 ppm2      2.272 CV     1
 ASSI { 1203}
   (( segid "PX14" and resid 61   and name HA  ))
   (( segid "PX14" and resid 65   and name HB1 ))
      3.100     3.100     2.900 peak  1203 spectrum    2 weight  0.11000E+01 volume  0.27721E-02 ppm1      4.127 ppm2      2.546 CV     1
 ASSI { 1204}
   (( segid "PX14" and resid 61   and name HA  ))
   (( segid "PX14" and resid 64   and name HB1 ))
      3.100     3.100     2.900 peak  1204 spectrum    2 weight  0.11000E+01 volume  0.25814E-02 ppm1      4.106 ppm2      2.874 CV     1
 ASSI { 1205}
   (( segid "PX14" and resid 49   and name HA  ))
   (  segid "PX14" and resid 67   and name HE% )
      4.400     4.400     1.600 peak  1205 spectrum    2 weight  0.11000E+01 volume  0.37114E-03 ppm1      3.949 ppm2      7.315 CV     1
 ASSI { 1208}
   (( segid "PX14" and resid 44   and name HB1 ))
   (( segid "PX14" and resid 45   and name HD2 ))
      3.800     1.800     1.800 peak  1208 spectrum    2 weight  0.11000E+01 volume  0.35411E-03 ppm1      4.003 ppm2      3.634 CV     1
 ASSI { 1209}
   (  segid "PX14" and resid 46   and name HD2%)
   (( segid "PX14" and resid 72   and name HB  ))
      3.700     3.700     2.300 peak  1209 spectrum    2 weight  0.11000E+01 volume  0.45252E-03 ppm1      0.721 ppm2      4.129 CV     1
 ASSI { 1210}
   (( segid "PX14" and resid 64   and name HA  ))
   (  segid "PX14" and resid 63   and name HG2%)
      2.700     2.700     3.300 peak  1210 spectrum    2 weight  0.11000E+01 volume  0.41200E-02 ppm1      4.215 ppm2      0.681 CV     1
 ASSI { 1211}
   (( segid "PX14" and resid 40   and name HB1 ))
   (  segid "PX19" and resid 105  and name HE% )
      2.700     2.700     3.300 peak  1211 spectrum    2 weight  0.11000E+01 volume  0.32745E-02 ppm1      1.894 ppm2      7.296 CV     1
 ASSI { 1212}
   (( segid "PX14" and resid 74   and name HA  ))
   (  segid "PX14" and resid 46   and name HD1%)
      3.200     3.200     2.800 peak  1212 spectrum    2 weight  0.11000E+01 volume  0.68677E-03 ppm1      4.319 ppm2      0.746 CV     1
 ASSI { 1213}
   (( segid "PX14" and resid 53   and name HA  ))
   (  segid "PX14" and resid 52   and name HD% )
      3.300     3.300     2.700 peak  1213 spectrum    2 weight  0.11000E+01 volume  0.72675E-03 ppm1      3.511 ppm2      6.816 CV     1
 ASSI { 1214}
   (( segid "PX14" and resid 35   and name HA  ))
   (( segid "PX14" and resid 35   and name HB2 ))
      2.600     0.900     0.900 peak  1214 spectrum    2 weight  0.11000E+01 volume  0.27092E-02 ppm1      4.132 ppm2      3.263 CV     1
 ASSI { 1215}
   (( segid "PX14" and resid 49   and name HD2 ))
   (  segid "PX14" and resid 52   and name HD% )
      4.300     2.300     1.700 peak  1215 spectrum    2 weight  0.11000E+01 volume  0.19798E-03 ppm1      2.759 ppm2      6.808 CV     1
 ASSI { 1216}
   (( segid "PX14" and resid 49   and name HD1 ))
   (  segid "PX14" and resid 36   and name HD2%)
      4.800     4.800     1.200 peak  1216 spectrum    2 weight  0.11000E+01 volume  0.15957E-03 ppm1      3.341 ppm2      0.288 CV     1
 ASSI { 1217}
   (( segid "PX14" and resid 42   and name HD1 ))
   (( segid "PX14" and resid 37   and name HG2 ))
      5.500     5.500     0.500 peak  1217 spectrum    2 weight  0.11000E+01 volume  0.30039E-04 ppm1      3.118 ppm2      2.289 CV     1
 ASSI { 1218}
   (( segid "PX14" and resid 36   and name HA  ))
   (( segid "PX14" and resid 41   and name HB  ))
      3.400     3.400     2.600 peak  1218 spectrum    2 weight  0.11000E+01 volume  0.57481E-03 ppm1      3.619 ppm2      2.038 CV     1
 ASSI { 1220}
   (( segid "PX14" and resid 36   and name HA  ))
   (( segid "PX14" and resid 38   and name HB1 ))
      5.200     5.200     0.800 peak  1220 spectrum    2 weight  0.11000E+01 volume  0.11067E-03 ppm1      3.626 ppm2      2.772 CV     1
 ASSI { 1221}
   (( segid "PX14" and resid 36   and name HA  ))
   (( segid "PX14" and resid 49   and name HD1 ))
      5.900     4.400     0.100 peak  1221 spectrum    2 weight  0.11000E+01 volume  0.71156E-04 ppm1      3.617 ppm2      3.292 CV     1
 ASSI { 1222}
   (( segid "PX14" and resid 36   and name HA  ))
   (( segid "PX14" and resid 41   and name HA  ))
      5.200     5.200     0.800 peak  1222 spectrum    2 weight  0.11000E+01 volume  0.27153E-03 ppm1      3.633 ppm2      3.352 CV     1
 ASSI { 1225}
   (( segid "PX14" and resid 46   and name HB1 ))
   (  segid "PX14" and resid 67   and name HE% )
      3.900     3.900     2.100 peak  1225 spectrum    2 weight  0.11000E+01 volume  0.30052E-03 ppm1      1.686 ppm2      7.118 CV     1
 ASSI { 1227}
   (( segid "PX14" and resid 59   and name HB  ))
   (( segid "PX14" and resid 60   and name HB2 ))
      5.100     5.100     0.900 peak  1227 spectrum    2 weight  0.11000E+01 volume  0.17293E-03 ppm1      4.708 ppm2      2.510 CV     1
 ASSI { 1228}
   (( segid "PX14" and resid 59   and name HB  ))
   (( segid "PX14" and resid 61   and name HB1 ))
      4.900     4.900     1.100 peak  1228 spectrum    2 weight  0.11000E+01 volume  0.16791E-03 ppm1      4.690 ppm2      2.049 CV     1
 ASSI { 1229}
   (( segid "PX14" and resid 59   and name HB  ))
   (( segid "PX14" and resid 61   and name HB2 ))
      5.100     5.100     0.900 peak  1229 spectrum    2 weight  0.11000E+01 volume  0.20908E-03 ppm1      4.708 ppm2      1.872 CV     1
 ASSI { 1230}
   (( segid "PX14" and resid 59   and name HB  ))
   (( segid "PX14" and resid 60   and name HB1 ))
      6.000     6.000     0.000 peak  1230 spectrum    2 weight  0.11000E+01 volume  0.16437E-05 ppm1      4.689 ppm2      2.654 CV     1
 ASSI { 1231}
   (( segid "PX14" and resid 59   and name HB  ))
   (( segid "PX14" and resid 54   and name HG2 ))
      4.200     2.200     1.800 peak  1231 spectrum    2 weight  0.11000E+01 volume  0.38817E-03 ppm1      4.681 ppm2      1.357 CV     1
 ASSI { 1232}
   (( segid "PX14" and resid 59   and name HB  ))
   (  segid "PX14" and resid 22   and name HG1%)
      4.600     4.600     1.400 peak  1232 spectrum    2 weight  0.11000E+01 volume  0.22409E-03 ppm1      4.699 ppm2      0.906 CV     1
 ASSI { 1233}
   (( segid "PX14" and resid 41   and name HA  ))
   (  segid "PX14" and resid 35   and name HE% )
      4.800     4.800     1.200 peak  1233 spectrum    2 weight  0.11000E+01 volume  0.16091E-03 ppm1      3.448 ppm2      7.094 CV     1
 ASSI { 1234}
   (( segid "PX14" and resid 41   and name HA  ))
   (  segid "PX14" and resid 35   and name HD% )
      5.300     5.300     0.700 peak  1234 spectrum    2 weight  0.11000E+01 volume  0.17910E-03 ppm1      3.429 ppm2      6.816 CV     1
 ASSI { 1237}
   (  segid "PX14" and resid 58   and name HD1%)
   (  segid "PX14" and resid 67   and name HD% )
      4.400     4.400     1.600 peak  1237 spectrum    2 weight  0.11000E+01 volume  0.21253E-03 ppm1      0.700 ppm2      7.309 CV     1
 ASSI { 1238}
   (  segid "PX14" and resid 58   and name HD1%)
   (  segid "PX14" and resid 67   and name HE% )
      3.100     3.100     2.900 peak  1238 spectrum    2 weight  0.11000E+01 volume  0.18371E-02 ppm1      0.706 ppm2      7.091 CV     1
 ASSI { 1239}
   (( segid "PX14" and resid 23   and name HB1 ))
   (( segid "PX14" and resid 23   and name HA  ))
      2.900     2.900     3.100 peak  1239 spectrum    2 weight  0.11000E+01 volume  0.23227E-02 ppm1      1.582 ppm2      4.645 CV     1
 ASSI { 1242}
   (  segid "PX14" and resid 23   and name HD1%)
   (( segid "PX14" and resid 23   and name HA  ))
      2.600     2.600     3.400 peak  1242 spectrum    2 weight  0.11000E+01 volume  0.38138E-02 ppm1      0.916 ppm2      4.645 CV     1
 ASSI { 1243}
   (( segid "PX14" and resid 24   and name HB1 ))
   (  segid "PX14" and resid 22   and name HG1%)
      2.800     2.800     3.200 peak  1243 spectrum    2 weight  0.11000E+01 volume  0.30685E-02 ppm1      2.197 ppm2      0.913 CV     1
 ASSI { 1244}
   (( segid "PX14" and resid 24   and name HB2 ))
   (  segid "PX14" and resid 22   and name HG1%)
      3.000     3.000     3.000 peak  1244 spectrum    2 weight  0.11000E+01 volume  0.37310E-02 ppm1      1.856 ppm2      0.914 CV     1
 ASSI { 1246}
   (( segid "PX14" and resid 45   and name HD2 ))
   (( segid "PX14" and resid 45   and name HB1 ))
      4.600     4.600     1.400 peak  1246 spectrum    2 weight  0.11000E+01 volume  0.33438E-03 ppm1      3.704 ppm2      2.603 CV     1
 ASSI { 1247}
   (( segid "PX14" and resid 27   and name HD1 ))
   (( segid "PX14" and resid 27   and name HA  ))
      3.400     1.400     1.400 peak  1247 spectrum    2 weight  0.11000E+01 volume  0.88012E-03 ppm1      3.856 ppm2      4.401 CV     1
 ASSI { 1248}
   (( segid "PX14" and resid 27   and name HD2 ))
   (( segid "PX14" and resid 27   and name HA  ))
      4.000     2.000     2.000 peak  1248 spectrum    2 weight  0.11000E+01 volume  0.44537E-03 ppm1      3.563 ppm2      4.398 CV     1
 ASSI { 1250}
   (( segid "PX14" and resid 35   and name HB2 ))
   (( segid "PX14" and resid 35   and name HB1 ))
      2.300     2.300     3.700 peak  1250 spectrum    2 weight  0.11000E+01 volume  0.35309E-02 ppm1      3.261 ppm2      3.518 CV     1
 ASSI { 1253}
   (( segid "PX14" and resid 35   and name HB2 ))
   (( segid "PX19" and resid 109  and name HB1 ))
      3.700     3.700     2.300 peak  1253 spectrum    2 weight  0.11000E+01 volume  0.58892E-03 ppm1      3.268 ppm2      1.555 CV     1
 ASSI { 1254}
   (( segid "PX14" and resid 35   and name HB2 ))
   (  segid "PX14" and resid 53   and name HD1%)
      4.500     4.500     1.500 peak  1254 spectrum    2 weight  0.11000E+01 volume  0.25342E-03 ppm1      3.273 ppm2      0.760 CV     1
 ASSI { 1255}
   (( segid "PX14" and resid 38   and name HA  ))
   (  segid "PX19" and resid 109  and name HD1%)
      4.500     4.500     1.500 peak  1255 spectrum    2 weight  0.11000E+01 volume  0.24094E-03 ppm1      4.420 ppm2      0.799 CV     1
 ASSI { 1256}
   (( segid "PX14" and resid 38   and name HA  ))
   (  segid "PX14" and resid 41   and name HG1%)
      5.800     5.800     0.200 peak  1256 spectrum    2 weight  0.11000E+01 volume  0.80337E-04 ppm1      4.430 ppm2      0.299 CV     1
 ASSI { 1257}
   (( segid "PX14" and resid 40   and name HD1 ))
   (( segid "PX14" and resid 40   and name HD2 ))
      1.900     0.500     0.500 peak  1257 spectrum    2 weight  0.11000E+01 volume  0.10431E-01 ppm1      2.903 ppm2      2.638 CV     1
 ASSI { 1259}
   (( segid "PX14" and resid 40   and name HD1 ))
   (( segid "PX14" and resid 40   and name HG2 ))
      3.000     3.000     3.000 peak  1259 spectrum    2 weight  0.11000E+01 volume  0.14327E-02 ppm1      2.906 ppm2      1.431 CV     1
 ASSI { 1260}
   (( segid "PX14" and resid 40   and name HD2 ))
   (( segid "PX14" and resid 40   and name HG2 ))
      2.900     1.100     1.100 peak  1260 spectrum    2 weight  0.11000E+01 volume  0.18568E-02 ppm1      2.632 ppm2      1.425 CV     1
 ASSI { 1261}
   (( segid "PX14" and resid 40   and name HD2 ))
   (( segid "PX14" and resid 40   and name HG1 ))
      3.000     1.100     1.100 peak  1261 spectrum    2 weight  0.11000E+01 volume  0.16483E-02 ppm1      2.633 ppm2      1.667 CV     1
 ASSI { 1262}
   (( segid "PX14" and resid 40   and name HD2 ))
   (( segid "PX14" and resid 40   and name HB1 ))
      2.900     1.000     1.000 peak  1262 spectrum    2 weight  0.11000E+01 volume  0.24366E-02 ppm1      2.633 ppm2      1.914 CV     1
 ASSI { 1265}
   (  segid "PX14" and resid 41   and name HG1%)
   (( segid "PX14" and resid 38   and name HB2 ))
      3.500     3.500     2.500 peak  1265 spectrum    2 weight  0.11000E+01 volume  0.15838E-02 ppm1      0.297 ppm2      2.674 CV     1
 ASSI { 1266}
   (( segid "PX14" and resid 45   and name HA  ))
   (( segid "PX14" and resid 45   and name HB2 ))
      3.100     1.200     1.200 peak  1266 spectrum    2 weight  0.11000E+01 volume  0.22740E-02 ppm1      4.532 ppm2      2.029 CV     1
 ASSI { 1267}
   (( segid "PX14" and resid 49   and name HB1 ))
   (  segid "PX14" and resid 46   and name HD2%)
      3.200     3.200     2.800 peak  1267 spectrum    2 weight  0.11000E+01 volume  0.70997E-03 ppm1      2.428 ppm2      0.715 CV     1
 OR { 1267}
   (( segid "PX14" and resid 49   and name HB1 ))
   (  segid "PX14" and resid 46   and name HD1%)
 ASSI { 1268}
   (( segid "PX14" and resid 49   and name HB1 ))
   (( segid "PX14" and resid 50   and name HG1 ))
      3.600     3.600     2.400 peak  1268 spectrum    2 weight  0.11000E+01 volume  0.74294E-03 ppm1      2.428 ppm2      1.476 CV     1
 ASSI { 1269}
   (( segid "PX14" and resid 52   and name HA  ))
   (  segid "PX14" and resid 51   and name HB% )
      3.900     3.900     2.100 peak  1269 spectrum    2 weight  0.11000E+01 volume  0.44308E-03 ppm1      4.194 ppm2      1.615 CV     1
 ASSI { 1273}
   (  segid "PX14" and resid 80   and name HD2%)
   (( segid "PX14" and resid 80   and name HG  ))
      2.700     2.700     3.300 peak  1273 spectrum    2 weight  0.11000E+01 volume  0.31447E-02 ppm1      0.768 ppm2      1.469 CV     1
 ASSI { 1274}
   (  segid "PX14" and resid 80   and name HD2%)
   (( segid "PX14" and resid 80   and name HB1 ))
      2.600     2.600     3.400 peak  1274 spectrum    2 weight  0.11000E+01 volume  0.42146E-02 ppm1      0.756 ppm2      1.379 CV     1
 ASSI { 1275}
   (( segid "PX14" and resid 56   and name HG2 ))
   (( segid "PX14" and resid 56   and name HB1 ))
      3.500     1.500     1.500 peak  1275 spectrum    2 weight  0.11000E+01 volume  0.78755E-03 ppm1     -0.494 ppm2      1.398 CV     1
 ASSI { 1276}
   (( segid "PX14" and resid 56   and name HG1 ))
   (( segid "PX14" and resid 56   and name HB1 ))
      3.400     1.500     1.500 peak  1276 spectrum    2 weight  0.11000E+01 volume  0.55881E-03 ppm1      0.131 ppm2      1.404 CV     1
 ASSI { 1277}
   (( segid "PX14" and resid 56   and name HG1 ))
   (( segid "PX14" and resid 56   and name HB2 ))
      3.600     1.600     1.600 peak  1277 spectrum    2 weight  0.11000E+01 volume  0.61789E-03 ppm1      0.137 ppm2      1.217 CV     1
 ASSI { 1280}
   (( segid "PX14" and resid 56   and name HB1 ))
   (( segid "PX14" and resid 56   and name HB2 ))
      2.400     0.700     0.700 peak  1280 spectrum    2 weight  0.11000E+01 volume  0.28699E-02 ppm1      1.392 ppm2      1.231 CV     1
 ASSI { 1283}
   (( segid "PX14" and resid 56   and name HG2 ))
   (( segid "PX14" and resid 56   and name HA  ))
      5.200     3.300     0.800 peak  1283 spectrum    2 weight  0.11000E+01 volume  0.82173E-04 ppm1     -0.491 ppm2      3.886 CV     1
 ASSI { 1287}
   (( segid "PX14" and resid 56   and name HA  ))
   (( segid "PX14" and resid 56   and name HB1 ))
      3.100     1.200     1.200 peak  1287 spectrum    2 weight  0.11000E+01 volume  0.11402E-02 ppm1      3.886 ppm2      1.398 CV     1
 ASSI { 1288}
   (( segid "PX14" and resid 56   and name HA  ))
   (( segid "PX14" and resid 56   and name HB2 ))
      3.400     1.400     1.400 peak  1288 spectrum    2 weight  0.11000E+01 volume  0.10708E-02 ppm1      3.879 ppm2      1.225 CV     1
 ASSI { 1289}
   (( segid "PX14" and resid 56   and name HA  ))
   (( segid "PX14" and resid 56   and name HG1 ))
      4.000     2.000     2.000 peak  1289 spectrum    2 weight  0.11000E+01 volume  0.30543E-03 ppm1      3.881 ppm2      0.133 CV     1
 ASSI { 1291}
   (( segid "PX14" and resid 56   and name HG1 ))
   (( segid "PX14" and resid 56   and name HD2 ))
      3.700     3.700     2.300 peak  1291 spectrum    2 weight  0.11000E+01 volume  0.38696E-03 ppm1      0.130 ppm2      0.998 CV     1
 ASSI { 1292}
   (( segid "PX14" and resid 56   and name HG2 ))
   (( segid "PX14" and resid 56   and name HD2 ))
      4.000     4.000     2.000 peak  1292 spectrum    2 weight  0.11000E+01 volume  0.28463E-03 ppm1     -0.492 ppm2      0.992 CV     1
 ASSI { 1297}
   (( segid "PX14" and resid 64   and name HB1 ))
   (  segid "PX14" and resid 65   and name HE% )
      4.400     2.400     1.600 peak  1297 spectrum    2 weight  0.11000E+01 volume  0.46819E-03 ppm1      2.860 ppm2      2.036 CV     1
 ASSI { 1298}
   (( segid "PX14" and resid 64   and name HB2 ))
   (  segid "PX14" and resid 65   and name HE% )
      3.600     3.600     2.400 peak  1298 spectrum    2 weight  0.11000E+01 volume  0.79134E-03 ppm1      2.670 ppm2      2.036 CV     1
 ASSI { 1301}
   (( segid "PX14" and resid 70   and name HB1 ))
   (  segid "PX14" and resid 72   and name HG2%)
      4.300     4.300     1.700 peak  1301 spectrum    2 weight  0.11000E+01 volume  0.20879E-03 ppm1      4.090 ppm2      0.933 CV     1
 ASSI { 1302}
   (( segid "PX14" and resid 70   and name HB2 ))
   (  segid "PX14" and resid 72   and name HG2%)
      3.600     3.600     2.400 peak  1302 spectrum    2 weight  0.11000E+01 volume  0.62037E-03 ppm1      3.917 ppm2      0.930 CV     1
 ASSI { 1309}
   (( segid "PX14" and resid 75   and name HB1 ))
   (( segid "PX14" and resid 75   and name HA  ))
      2.600     0.900     0.900 peak  1309 spectrum    2 weight  0.11000E+01 volume  0.40755E-02 ppm1      2.645 ppm2      4.567 CV     1
 ASSI { 1322}
   (( segid "PX14" and resid 31   and name HA  ))
   (( segid "PX19" and resid 112  and name HA  ))
      4.200     2.200     1.800 peak  1322 spectrum    2 weight  0.11000E+01 volume  0.28342E-03 ppm1      3.774 ppm2      4.250 CV     1
 ASSI { 1330}
   (( segid "PX14" and resid 72   and name HB  ))
   (  segid "PX14" and resid 67   and name HE% )
      5.600     3.900     0.400 peak  1330 spectrum    2 weight  0.11000E+01 volume  0.48210E-04 ppm1      4.180 ppm2      7.101 CV     1
 ASSI { 1338}
   (( segid "PX14" and resid 33   and name HA  ))
   (  segid "PX14" and resid 67   and name HD% )
      5.000     3.100     1.000 peak  1338 spectrum    2 weight  0.11000E+01 volume  0.11277E-03 ppm1      3.326 ppm2      7.304 CV     1
 ASSI { 1339}
   (( segid "PX14" and resid 33   and name HA  ))
   (  segid "PX14" and resid 67   and name HE% )
      6.000     6.000     0.000 peak  1339 spectrum    2 weight  0.11000E+01 volume  0.22890E-04 ppm1      3.320 ppm2      7.100 CV     1
 ASSI { 1340}
   (( segid "PX14" and resid 41   and name HA  ))
   (  segid "PX19" and resid 106  and name HD% )
      4.400     4.400     1.600 peak  1340 spectrum    2 weight  0.11000E+01 volume  0.21887E-03 ppm1      3.441 ppm2      6.991 CV     1
 ASSI { 1341}
   (( segid "PX14" and resid 41   and name HA  ))
   (  segid "PX19" and resid 106  and name HE% )
      3.700     3.700     2.300 peak  1341 spectrum    2 weight  0.11000E+01 volume  0.46363E-03 ppm1      3.458 ppm2      7.243 CV     1
 ASSI { 1344}
   (( segid "PX14" and resid 48   and name HA  ))
   (( segid "PX19" and resid 106  and name HZ  ))
      5.700     5.700     0.300 peak  1344 spectrum    2 weight  0.11000E+01 volume  0.14145E-03 ppm1      4.442 ppm2      7.286 CV     1
 ASSI { 1345}
   (( segid "PX14" and resid 31   and name HA  ))
   (( segid "PX19" and resid 110  and name HZ  ))
      4.600     4.600     1.400 peak  1345 spectrum    2 weight  0.11000E+01 volume  0.24656E-03 ppm1      3.993 ppm2      7.042 CV     1
 ASSI { 1349}
   (( segid "PX14" and resid 44   and name HB1 ))
   (  segid "PX19" and resid 106  and name HE% )
      3.000     1.100     1.100 peak  1349 spectrum    2 weight  0.11000E+01 volume  0.16808E-02 ppm1      4.032 ppm2      7.290 CV     1
 OR { 1349}
   (( segid "PX14" and resid 44   and name HB1 ))
   (( segid "PX19" and resid 106  and name HZ  ))
 ASSI { 1350}
   (( segid "PX14" and resid 44   and name HB1 ))
   (  segid "PX19" and resid 106  and name HD% )
      6.000     6.000     0.000 peak  1350 spectrum    2 weight  0.11000E+01 volume  0.66034E-05 ppm1      4.101 ppm2      6.981 CV     1
 ASSI { 1351}
   (( segid "PX14" and resid 67   and name HA  ))
   (  segid "PX14" and resid 67   and name HE% )
      4.900     4.900     1.100 peak  1351 spectrum    2 weight  0.11000E+01 volume  0.31979E-03 ppm1      3.951 ppm2      7.110 CV     1
 ASSI { 1352}
   (( segid "PX14" and resid 52   and name HA  ))
   (  segid "PX14" and resid 52   and name HE% )
      4.300     2.300     1.700 peak  1352 spectrum    2 weight  0.11000E+01 volume  0.35907E-03 ppm1      4.162 ppm2      6.640 CV     1
 ASSI { 1353}
   (( segid "PX14" and resid 52   and name HA  ))
   (  segid "PX19" and resid 106  and name HD% )
      4.800     2.900     1.200 peak  1353 spectrum    2 weight  0.11000E+01 volume  0.13835E-03 ppm1      4.174 ppm2      6.978 CV     1
 ASSI { 1354}
   (( segid "PX14" and resid 35   and name HA  ))
   (  segid "PX14" and resid 35   and name HE% )
      3.900     1.900     1.900 peak  1354 spectrum    2 weight  0.11000E+01 volume  0.61354E-03 ppm1      4.129 ppm2      6.809 CV     1
 ASSI { 1355}
   (( segid "PX14" and resid 50   and name HA  ))
   (  segid "PX14" and resid 67   and name HE% )
      3.200     3.200     2.800 peak  1355 spectrum    2 weight  0.11000E+01 volume  0.82086E-03 ppm1      3.895 ppm2      7.001 CV     1
 ASSI { 1356}
   (( segid "PX14" and resid 50   and name HA  ))
   (  segid "PX14" and resid 67   and name HD% )
      3.500     3.500     2.500 peak  1356 spectrum    2 weight  0.11000E+01 volume  0.85927E-03 ppm1      3.895 ppm2      7.106 CV     1
 ASSI { 1357}
   (( segid "PX14" and resid 42   and name HA  ))
   (( segid "PX14" and resid 67   and name HZ  ))
      4.400     4.400     1.600 peak  1357 spectrum    2 weight  0.11000E+01 volume  0.26675E-03 ppm1      3.908 ppm2      7.014 CV     1
 ASSI { 1358}
   (( segid "PX14" and resid 42   and name HA  ))
   (  segid "PX14" and resid 67   and name HE% )
      4.000     4.000     2.000 peak  1358 spectrum    2 weight  0.11000E+01 volume  0.26920E-03 ppm1      3.908 ppm2      7.121 CV     1
 ASSI { 1363}
   (( segid "PX14" and resid 53   and name HA  ))
   (  segid "PX14" and resid 52   and name HE% )
      4.700     2.800     1.300 peak  1363 spectrum    2 weight  0.11000E+01 volume  0.11040E-03 ppm1      3.475 ppm2      6.637 CV     1
 ASSI { 1364}
   (( segid "PX14" and resid 53   and name HA  ))
   (( segid "PX19" and resid 110  and name HZ  ))
      3.800     1.800     1.800 peak  1364 spectrum    2 weight  0.11000E+01 volume  0.42665E-03 ppm1      3.467 ppm2      7.017 CV     1
 ASSI { 1368}
   (( segid "PX14" and resid 36   and name HA  ))
   (  segid "PX14" and resid 35   and name HD% )
      3.400     3.400     2.600 peak  1368 spectrum    2 weight  0.11000E+01 volume  0.63075E-03 ppm1      3.604 ppm2      7.095 CV     1
 ASSI { 1369}
   (( segid "PX14" and resid 36   and name HA  ))
   (  segid "PX14" and resid 35   and name HE% )
      5.600     3.900     0.400 peak  1369 spectrum    2 weight  0.11000E+01 volume  0.10066E-03 ppm1      3.605 ppm2      6.809 CV     1
 ASSI { 1370}
   (( segid "PX14" and resid 32   and name HA  ))
   (( segid "PX19" and resid 110  and name HZ  ))
      3.600     3.600     2.400 peak  1370 spectrum    2 weight  0.11000E+01 volume  0.11018E-02 ppm1      4.095 ppm2      7.018 CV     1
 OR { 1370}
   (( segid "PX14" and resid 32   and name HA  ))
   (  segid "PX19" and resid 110  and name HD% )
 ASSI { 1371}
   (( segid "PX14" and resid 32   and name HA  ))
   (  segid "PX19" and resid 110  and name HE% )
      2.400     2.400     3.600 peak  1371 spectrum    2 weight  0.11000E+01 volume  0.34139E-02 ppm1      4.097 ppm2      7.085 CV     1
 ASSI { 1372}
   (( segid "PX14" and resid 32   and name HA  ))
   (  segid "PX14" and resid 35   and name HD% )
      5.000     5.000     1.000 peak  1372 spectrum    2 weight  0.11000E+01 volume  0.11559E-03 ppm1      4.091 ppm2      6.808 CV     1
 ASSI { 1373}
   (( segid "PX14" and resid 56   and name HA  ))
   (  segid "PX14" and resid 52   and name HE% )
      4.900     4.900     1.100 peak  1373 spectrum    2 weight  0.11000E+01 volume  0.19441E-03 ppm1      3.884 ppm2      6.659 CV     1
 ASSI { 1374}
   (( segid "PX14" and resid 45   and name HD2 ))
   (  segid "PX19" and resid 106  and name HE% )
      5.700     4.000     0.300 peak  1374 spectrum    2 weight  0.11000E+01 volume  0.36638E-04 ppm1      3.643 ppm2      7.186 CV     1
 ASSI { 1375}
   (( segid "PX14" and resid 45   and name HD2 ))
   (( segid "PX19" and resid 106  and name HZ  ))
      4.600     2.600     1.400 peak  1375 spectrum    2 weight  0.11000E+01 volume  0.11891E-03 ppm1      3.629 ppm2      7.292 CV     1
 ASSI { 1377}
   (( segid "PX14" and resid 42   and name HD1 ))
   (  segid "PX14" and resid 67   and name HD% )
      6.000     5.300     0.000 peak  1377 spectrum    2 weight  0.11000E+01 volume  0.23411E-04 ppm1      3.056 ppm2      7.302 CV     1
 ASSI { 1378}
   (( segid "PX14" and resid 40   and name HD1 ))
   (  segid "PX19" and resid 105  and name HE% )
      4.200     4.200     1.800 peak  1378 spectrum    2 weight  0.11000E+01 volume  0.29973E-03 ppm1      2.907 ppm2      7.292 CV     1
 ASSI { 1379}
   (( segid "PX14" and resid 40   and name HD2 ))
   (  segid "PX19" and resid 105  and name HE% )
      3.300     1.400     1.400 peak  1379 spectrum    2 weight  0.11000E+01 volume  0.62497E-03 ppm1      2.638 ppm2      7.290 CV     1
 ASSI { 1380}
   (( segid "PX14" and resid 40   and name HD2 ))
   (  segid "PX19" and resid 105  and name HD% )
      4.600     2.700     1.400 peak  1380 spectrum    2 weight  0.11000E+01 volume  0.97064E-04 ppm1      2.648 ppm2      7.197 CV     1
 ASSI { 1381}
   (( segid "PX14" and resid 40   and name HD1 ))
   (  segid "PX19" and resid 105  and name HD% )
      5.900     5.900     0.100 peak  1381 spectrum    2 weight  0.11000E+01 volume  0.36439E-04 ppm1      2.912 ppm2      7.192 CV     1
 ASSI { 1384}
   (( segid "PX14" and resid 54   and name HE1 ))
   (  segid "PX14" and resid 67   and name HE% )
      4.300     4.300     1.700 peak  1384 spectrum    2 weight  0.11000E+01 volume  0.31881E-03 ppm1      2.947 ppm2      7.107 CV     1
 ASSI { 1385}
   (( segid "PX14" and resid 54   and name HE1 ))
   (  segid "PX14" and resid 67   and name HD% )
      4.000     4.000     2.000 peak  1385 spectrum    2 weight  0.11000E+01 volume  0.52699E-03 ppm1      2.932 ppm2      7.314 CV     1
 ASSI { 1386}
   (( segid "PX14" and resid 56   and name HE1 ))
   (  segid "PX14" and resid 52   and name HE% )
      3.000     3.000     3.000 peak  1386 spectrum    2 weight  0.11000E+01 volume  0.16016E-02 ppm1      2.309 ppm2      6.653 CV     1
 ASSI { 1387}
   (( segid "PX14" and resid 46   and name HB1 ))
   (  segid "PX14" and resid 67   and name HD% )
      5.200     5.200     0.800 peak  1387 spectrum    2 weight  0.11000E+01 volume  0.51937E-04 ppm1      1.701 ppm2      7.318 CV     1
 ASSI { 1388}
   (( segid "PX14" and resid 46   and name HB1 ))
   (( segid "PX14" and resid 67   and name HZ  ))
      4.900     4.900     1.100 peak  1388 spectrum    2 weight  0.11000E+01 volume  0.17799E-03 ppm1      1.691 ppm2      7.015 CV     1
 ASSI { 1389}
   (( segid "PX14" and resid 64   and name HB1 ))
   (  segid "PX14" and resid 67   and name HD% )
      4.400     4.400     1.600 peak  1389 spectrum    2 weight  0.11000E+01 volume  0.30569E-03 ppm1      2.884 ppm2      7.304 CV     1
 ASSI { 1390}
   (( segid "PX14" and resid 64   and name HB2 ))
   (  segid "PX14" and resid 67   and name HD% )
      4.500     4.500     1.500 peak  1390 spectrum    2 weight  0.11000E+01 volume  0.39634E-03 ppm1      2.673 ppm2      7.306 CV     1
 ASSI { 1393}
   (( segid "PX14" and resid 52   and name HB2 ))
   (  segid "PX19" and resid 106  and name HD% )
      3.500     3.500     2.500 peak  1393 spectrum    2 weight  0.11000E+01 volume  0.58642E-03 ppm1      2.933 ppm2      6.982 CV     1
 ASSI { 1394}
   (( segid "PX14" and resid 52   and name HB1 ))
   (  segid "PX19" and resid 106  and name HD% )
      3.500     3.500     2.500 peak  1394 spectrum    2 weight  0.11000E+01 volume  0.12053E-02 ppm1      3.489 ppm2      6.983 CV     1
 ASSI { 1395}
   (( segid "PX14" and resid 52   and name HB2 ))
   (  segid "PX19" and resid 106  and name HE% )
      3.800     3.800     2.200 peak  1395 spectrum    2 weight  0.11000E+01 volume  0.38086E-03 ppm1      2.956 ppm2      7.248 CV     1
 ASSI { 1396}
   (( segid "PX14" and resid 52   and name HB1 ))
   (  segid "PX19" and resid 106  and name HE% )
      4.200     4.200     1.800 peak  1396 spectrum    2 weight  0.11000E+01 volume  0.36857E-03 ppm1      3.492 ppm2      7.243 CV     1
 ASSI { 1398}
   (( segid "PX14" and resid 35   and name HB2 ))
   (( segid "PX19" and resid 110  and name HZ  ))
      4.000     4.000     2.000 peak  1398 spectrum    2 weight  0.11000E+01 volume  0.61713E-03 ppm1      3.268 ppm2      7.018 CV     1
 ASSI { 1399}
   (( segid "PX14" and resid 35   and name HB1 ))
   (( segid "PX19" and resid 110  and name HZ  ))
      4.300     2.300     1.700 peak  1399 spectrum    2 weight  0.11000E+01 volume  0.52687E-03 ppm1      3.497 ppm2      7.021 CV     1
 ASSI { 1400}
   (( segid "PX14" and resid 35   and name HB2 ))
   (  segid "PX14" and resid 52   and name HD% )
      4.400     4.400     1.600 peak  1400 spectrum    2 weight  0.11000E+01 volume  0.29139E-03 ppm1      3.265 ppm2      6.823 CV     1
 ASSI { 1403}
   (( segid "PX14" and resid 67   and name HB1 ))
   (  segid "PX14" and resid 67   and name HE% )
      5.900     4.400     0.100 peak  1403 spectrum    2 weight  0.11000E+01 volume  0.53300E-04 ppm1      3.352 ppm2      7.116 CV     1
 ASSI { 1405}
   (( segid "PX14" and resid 49   and name HB1 ))
   (  segid "PX14" and resid 52   and name HD% )
      4.700     4.700     1.300 peak  1405 spectrum    2 weight  0.11000E+01 volume  0.96153E-04 ppm1      2.427 ppm2      6.824 CV     1
 ASSI { 1406}
   (( segid "PX14" and resid 49   and name HB2 ))
   (  segid "PX14" and resid 52   and name HD% )
      4.400     4.400     1.600 peak  1406 spectrum    2 weight  0.11000E+01 volume  0.35845E-03 ppm1      1.772 ppm2      6.816 CV     1
 ASSI { 1407}
   (( segid "PX14" and resid 49   and name HB1 ))
   (( segid "PX14" and resid 67   and name HZ  ))
      2.600     0.800     0.800 peak  1407 spectrum    2 weight  0.11000E+01 volume  0.12721E-02 ppm1      2.427 ppm2      7.002 CV     1
 ASSI { 1408}
   (( segid "PX14" and resid 49   and name HB2 ))
   (( segid "PX14" and resid 67   and name HZ  ))
      4.000     4.000     2.000 peak  1408 spectrum    2 weight  0.11000E+01 volume  0.10429E-02 ppm1      1.781 ppm2      7.006 CV     1
 ASSI { 1411}
   (( segid "PX14" and resid 49   and name HB2 ))
   (  segid "PX14" and resid 67   and name HE% )
      4.200     4.200     1.800 peak  1411 spectrum    2 weight  0.11000E+01 volume  0.44799E-03 ppm1      1.763 ppm2      7.107 CV     1
 ASSI { 1412}
   (( segid "PX14" and resid 49   and name HB2 ))
   (  segid "PX14" and resid 67   and name HD% )
      5.200     3.400     0.800 peak  1412 spectrum    2 weight  0.11000E+01 volume  0.11418E-03 ppm1      1.724 ppm2      7.301 CV     1
 ASSI { 1413}
   (( segid "PX14" and resid 55   and name HB1 ))
   (  segid "PX14" and resid 52   and name HE% )
      4.200     4.200     1.800 peak  1413 spectrum    2 weight  0.11000E+01 volume  0.36264E-03 ppm1      1.791 ppm2      6.654 CV     1
 ASSI { 1414}
   (( segid "PX14" and resid 55   and name HB1 ))
   (  segid "PX14" and resid 52   and name HD% )
      3.700     3.700     2.300 peak  1414 spectrum    2 weight  0.11000E+01 volume  0.81627E-03 ppm1      1.791 ppm2      6.819 CV     1
 ASSI { 1417}
   (( segid "PX14" and resid 41   and name HB  ))
   (  segid "PX14" and resid 35   and name HE% )
      4.700     4.700     1.300 peak  1417 spectrum    2 weight  0.11000E+01 volume  0.27154E-03 ppm1      2.027 ppm2      6.818 CV     1
 ASSI { 1418}
   (( segid "PX14" and resid 34   and name HD1 ))
   (  segid "PX14" and resid 35   and name HE% )
      3.200     3.200     2.800 peak  1418 spectrum    2 weight  0.11000E+01 volume  0.19464E-02 ppm1      1.653 ppm2      6.817 CV     1
 ASSI { 1420}
   (( segid "PX14" and resid 36   and name HG  ))
   (  segid "PX14" and resid 35   and name HE% )
      3.500     3.500     2.500 peak  1420 spectrum    2 weight  0.11000E+01 volume  0.10427E-02 ppm1      2.156 ppm2      6.815 CV     1
 ASSI { 1421}
   (  segid "PX14" and resid 53   and name HD2%)
   (  segid "PX14" and resid 52   and name HD% )
      3.300     3.300     2.700 peak  1421 spectrum    2 weight  0.11000E+01 volume  0.90475E-03 ppm1      0.989 ppm2      6.815 CV     1
 ASSI { 1422}
   (  segid "PX14" and resid 53   and name HD2%)
   (( segid "PX19" and resid 110  and name HZ  ))
      3.700     3.700     2.300 peak  1422 spectrum    2 weight  0.11000E+01 volume  0.74032E-03 ppm1      0.998 ppm2      7.015 CV     1
 ASSI { 1423}
   (  segid "PX14" and resid 58   and name HD1%)
   (( segid "PX19" and resid 110  and name HZ  ))
      3.800     1.800     1.800 peak  1423 spectrum    2 weight  0.11000E+01 volume  0.41796E-03 ppm1      0.698 ppm2      7.019 CV     1
 ASSI { 1424}
   (( segid "PX14" and resid 46   and name HG  ))
   (( segid "PX14" and resid 67   and name HZ  ))
      3.900     1.900     1.900 peak  1424 spectrum    2 weight  0.11000E+01 volume  0.54946E-03 ppm1      1.576 ppm2      7.005 CV     1
 ASSI { 1425}
   (( segid "PX14" and resid 46   and name HG  ))
   (  segid "PX14" and resid 67   and name HE% )
      3.400     3.400     2.600 peak  1425 spectrum    2 weight  0.11000E+01 volume  0.73944E-03 ppm1      1.580 ppm2      7.117 CV     1
 ASSI { 1427}
   (  segid "PX14" and resid 41   and name HG1%)
   (  segid "PX14" and resid 35   and name HE% )
      2.700     2.700     3.300 peak  1427 spectrum    2 weight  0.11000E+01 volume  0.20451E-02 ppm1      0.301 ppm2      6.809 CV     1
 ASSI { 1428}
   (  segid "PX14" and resid 41   and name HG1%)
   (  segid "PX19" and resid 106  and name HD% )
      3.600     3.600     2.400 peak  1428 spectrum    2 weight  0.11000E+01 volume  0.97961E-03 ppm1      0.305 ppm2      6.980 CV     1
 ASSI { 1429}
   (  segid "PX14" and resid 41   and name HG1%)
   (  segid "PX14" and resid 67   and name HE% )
      3.200     3.200     2.800 peak  1429 spectrum    2 weight  0.11000E+01 volume  0.12679E-02 ppm1      0.301 ppm2      7.095 CV     1
 ASSI { 1430}
   (  segid "PX14" and resid 41   and name HG1%)
   (  segid "PX19" and resid 105  and name HE% )
      2.800     2.800     3.200 peak  1430 spectrum    2 weight  0.11000E+01 volume  0.52213E-02 ppm1      0.305 ppm2      7.273 CV     1
 ASSI { 1432}
   (( segid "PX14" and resid 56   and name HG1 ))
   (  segid "PX14" and resid 52   and name HE% )
      3.800     3.800     2.200 peak  1432 spectrum    2 weight  0.11000E+01 volume  0.45745E-03 ppm1      0.149 ppm2      6.645 CV     1
 ASSI { 1433}
   (( segid "PX14" and resid 56   and name HG2 ))
   (  segid "PX14" and resid 52   and name HE% )
      3.500     3.500     2.500 peak  1433 spectrum    2 weight  0.11000E+01 volume  0.50975E-03 ppm1     -0.474 ppm2      6.652 CV     1
 ASSI { 1435}
   (  segid "PX14" and resid 48   and name HG2%)
   (  segid "PX14" and resid 52   and name HD% )
      4.500     4.500     1.500 peak  1435 spectrum    2 weight  0.11000E+01 volume  0.15895E-03 ppm1      1.482 ppm2      6.813 CV     1
 ASSI { 1439}
   (  segid "PX14" and resid 36   and name HD1%)
   (( segid "PX19" and resid 110  and name HZ  ))
      3.200     3.200     2.800 peak  1439 spectrum    2 weight  0.11000E+01 volume  0.22420E-02 ppm1      0.712 ppm2      7.001 CV     1
 ASSI { 1440}
   (  segid "PX14" and resid 36   and name HD1%)
   (  segid "PX19" and resid 110  and name HE% )
      2.500     2.500     3.500 peak  1440 spectrum    2 weight  0.11000E+01 volume  0.77093E-02 ppm1      0.721 ppm2      7.109 CV     1
 ASSI { 1441}
   (  segid "PX14" and resid 36   and name HD1%)
   (  segid "PX14" and resid 67   and name HD% )
      3.200     3.200     2.800 peak  1441 spectrum    2 weight  0.11000E+01 volume  0.10408E-02 ppm1      0.697 ppm2      7.314 CV     1
 ASSI { 1447}
   (  segid "PX14" and resid 32   and name HB% )
   (  segid "PX19" and resid 110  and name HD% )
      4.100     2.100     1.900 peak  1447 spectrum    2 weight  0.11000E+01 volume  0.65594E-03 ppm1      1.523 ppm2      7.014 CV     1
 ASSI { 1450}
   (( segid "PX14" and resid 56   and name HE1 ))
   (( segid "PX14" and resid 56   and name HG2 ))
      3.500     3.500     2.500 peak  1450 spectrum    2 weight  0.11000E+01 volume  0.71550E-03 ppm1      2.309 ppm2     -0.479 CV     1
 ASSI { 1451}
   (( segid "PX14" and resid 56   and name HE2 ))
   (( segid "PX14" and resid 56   and name HG2 ))
      3.700     3.700     2.300 peak  1451 spectrum    2 weight  0.11000E+01 volume  0.55209E-03 ppm1      2.165 ppm2     -0.478 CV     1
 ASSI { 1452}
   (( segid "PX14" and resid 56   and name HE1 ))
   (( segid "PX14" and resid 56   and name HG1 ))
      3.700     3.700     2.300 peak  1452 spectrum    2 weight  0.11000E+01 volume  0.66091E-03 ppm1      2.308 ppm2      0.141 CV     1
 ASSI { 1453}
   (( segid "PX14" and resid 56   and name HE2 ))
   (( segid "PX14" and resid 56   and name HG1 ))
      3.700     3.700     2.300 peak  1453 spectrum    2 weight  0.11000E+01 volume  0.54628E-03 ppm1      2.160 ppm2      0.140 CV     1
 ASSI { 1454}
   (( segid "PX14" and resid 56   and name HE1 ))
   (( segid "PX14" and resid 56   and name HD2 ))
      2.600     2.600     3.400 peak  1454 spectrum    2 weight  0.11000E+01 volume  0.30047E-02 ppm1      2.311 ppm2      1.005 CV     1
 ASSI { 1455}
   (( segid "PX14" and resid 56   and name HE1 ))
   (( segid "PX14" and resid 56   and name HD1 ))
      3.000     3.000     3.000 peak  1455 spectrum    2 weight  0.11000E+01 volume  0.19935E-02 ppm1      2.305 ppm2      1.077 CV     1
 ASSI { 1456}
   (( segid "PX14" and resid 56   and name HE2 ))
   (( segid "PX14" and resid 56   and name HD1 ))
      2.700     2.700     3.300 peak  1456 spectrum    2 weight  0.11000E+01 volume  0.24028E-02 ppm1      2.162 ppm2      1.078 CV     1
 ASSI { 1457}
   (( segid "PX14" and resid 56   and name HE2 ))
   (( segid "PX14" and resid 56   and name HD2 ))
      2.600     2.600     3.400 peak  1457 spectrum    2 weight  0.11000E+01 volume  0.42052E-02 ppm1      2.167 ppm2      1.003 CV     1
 ASSI { 1458}
   (( segid "PX14" and resid 56   and name HE1 ))
   (( segid "PX14" and resid 56   and name HE2 ))
      1.800     1.800     4.200 peak  1458 spectrum    2 weight  0.11000E+01 volume  0.18214E-01 ppm1      2.305 ppm2      2.172 CV     1
 ASSI { 1460}
   (( segid "PX14" and resid 56   and name HE2 ))
   (( segid "PX14" and resid 56   and name HA  ))
      2.700     2.700     3.300 peak  1460 spectrum    2 weight  0.11000E+01 volume  0.21537E-02 ppm1      2.158 ppm2      3.898 CV     1
 ASSI { 1461}
   (( segid "PX14" and resid 56   and name HE1 ))
   (( segid "PX14" and resid 56   and name HA  ))
      3.500     3.500     2.500 peak  1461 spectrum    2 weight  0.11000E+01 volume  0.11881E-02 ppm1      2.312 ppm2      3.895 CV     1
 ASSI { 1462}
   (( segid "PX14" and resid 56   and name HE1 ))
   (( segid "PX14" and resid 52   and name HA  ))
      3.600     3.600     2.400 peak  1462 spectrum    2 weight  0.11000E+01 volume  0.41966E-03 ppm1      2.306 ppm2      4.141 CV     1
 ASSI { 1463}
   (( segid "PX14" and resid 56   and name HE2 ))
   (( segid "PX14" and resid 52   and name HA  ))
      3.700     3.700     2.300 peak  1463 spectrum    2 weight  0.11000E+01 volume  0.30449E-03 ppm1      2.167 ppm2      4.142 CV     1
 ASSI { 1464}
   (( segid "PX14" and resid 56   and name HE2 ))
   (  segid "PX14" and resid 52   and name HE% )
      3.400     3.400     2.600 peak  1464 spectrum    2 weight  0.11000E+01 volume  0.12723E-02 ppm1      2.160 ppm2      6.652 CV     1
 ASSI { 1465}
   (( segid "PX14" and resid 56   and name HE2 ))
   (  segid "PX14" and resid 52   and name HD% )
      3.700     3.700     2.300 peak  1465 spectrum    2 weight  0.11000E+01 volume  0.25898E-03 ppm1      2.157 ppm2      6.817 CV     1
 ASSI { 1466}
   (( segid "PX14" and resid 56   and name HE1 ))
   (  segid "PX14" and resid 52   and name HD% )
      4.400     4.400     1.600 peak  1466 spectrum    2 weight  0.11000E+01 volume  0.13074E-03 ppm1      2.312 ppm2      6.819 CV     1
 ASSI { 1467}
   (( segid "PX14" and resid 56   and name HE1 ))
   (  segid "PX19" and resid 110  and name HD% )
      3.900     3.900     2.100 peak  1467 spectrum    2 weight  0.11000E+01 volume  0.63418E-03 ppm1      2.311 ppm2      7.021 CV     1
 OR { 1467}
   (( segid "PX14" and resid 56   and name HE1 ))
   (( segid "PX19" and resid 110  and name HZ  ))
 ASSI { 1468}
   (( segid "PX14" and resid 56   and name HE2 ))
   (  segid "PX19" and resid 110  and name HD% )
      3.600     3.600     2.400 peak  1468 spectrum    2 weight  0.11000E+01 volume  0.72960E-03 ppm1      2.158 ppm2      7.021 CV     1
 OR { 1468}
   (( segid "PX14" and resid 56   and name HE2 ))
   (( segid "PX19" and resid 110  and name HZ  ))
 ASSI { 1469}
   (( segid "PX14" and resid 56   and name HE2 ))
   (  segid "PX19" and resid 110  and name HD% )
      3.100     3.100     2.900 peak  1469 spectrum    2 weight  0.11000E+01 volume  0.17083E-02 ppm1      2.152 ppm2      7.101 CV     1
 ASSI { 1470}
   (( segid "PX14" and resid 56   and name HE1 ))
   (  segid "PX19" and resid 110  and name HD% )
      4.100     4.100     1.900 peak  1470 spectrum    2 weight  0.11000E+01 volume  0.44609E-03 ppm1      2.312 ppm2      7.101 CV     1
 ASSI { 1471}
   (( segid "PX14" and resid 50   and name HB1 ))
   (  segid "PX14" and resid 67   and name HE% )
      3.600     3.600     2.400 peak  1471 spectrum    2 weight  0.11000E+01 volume  0.10034E-02 ppm1      1.951 ppm2      7.117 CV     1
 ASSI { 1472}
   (( segid "PX14" and resid 40   and name HB1 ))
   (  segid "PX19" and resid 105  and name HD% )
      4.100     4.100     1.900 peak  1472 spectrum    2 weight  0.11000E+01 volume  0.33839E-03 ppm1      1.925 ppm2      7.203 CV     1
 ASSI { 1480}
   (  segid "PX14" and resid 63   and name HG2%)
   (( segid "PX14" and resid 62   and name HG2 ))
      2.900     2.900     3.100 peak  1480 spectrum    2 weight  0.11000E+01 volume  0.12054E-02 ppm1      0.698 ppm2      2.165 CV     1
 ASSI { 1482}
   (( segid "PX14" and resid 35   and name HB2 ))
   (  segid "PX19" and resid 109  and name HD1%)
      4.100     4.100     1.900 peak  1482 spectrum    2 weight  0.11000E+01 volume  0.37113E-03 ppm1      3.262 ppm2      0.803 CV     1
 ASSI { 1483}
   (( segid "PX14" and resid 38   and name HB2 ))
   (  segid "PX19" and resid 109  and name HD1%)
      3.500     3.500     2.500 peak  1483 spectrum    2 weight  0.11000E+01 volume  0.62414E-03 ppm1      2.683 ppm2      0.810 CV     1
 ASSI { 1486}
   (( segid "PX14" and resid 67   and name HB2 ))
   (  segid "PX14" and resid 36   and name HD2%)
      5.300     3.600     0.700 peak  1486 spectrum    2 weight  0.11000E+01 volume  0.96190E-04 ppm1      3.054 ppm2      0.270 CV     1
 ASSI { 1487}
   (( segid "PX14" and resid 67   and name HB1 ))
   (  segid "PX14" and resid 36   and name HD2%)
      4.900     4.900     1.100 peak  1487 spectrum    2 weight  0.11000E+01 volume  0.15959E-03 ppm1      3.371 ppm2      0.274 CV     1
 ASSI { 1488}
   (( segid "PX14" and resid 31   and name HA  ))
   (  segid "PX19" and resid 110  and name HE% )
      4.900     3.100     1.100 peak  1488 spectrum    2 weight  0.11000E+01 volume  0.15819E-03 ppm1      3.764 ppm2      7.102 CV     1
 ASSI { 1490}
   (( segid "PX14" and resid 50   and name HB2 ))
   (  segid "PX14" and resid 67   and name HE% )
      4.200     4.200     1.800 peak  1490 spectrum    2 weight  0.11000E+01 volume  0.35646E-03 ppm1      1.762 ppm2      7.118 CV     1
 ASSI { 1491}
   (( segid "PX14" and resid 41   and name HB  ))
   (  segid "PX19" and resid 105  and name HE% )
      4.200     4.200     1.800 peak  1491 spectrum    2 weight  0.11000E+01 volume  0.53529E-03 ppm1      2.030 ppm2      7.257 CV     1
 ASSI { 1493}
   (  segid "PX14" and resid 58   and name HD1%)
   (  segid "PX14" and resid 52   and name HD% )
      5.100     5.100     0.900 peak  1493 spectrum    2 weight  0.11000E+01 volume  0.40786E-04 ppm1      0.698 ppm2      6.800 CV     1
 ASSI { 1494}
   (( segid "PX14" and resid 34   and name HE1 ))
   (  segid "PX14" and resid 35   and name HE% )
      3.800     3.800     2.200 peak  1494 spectrum    2 weight  0.11000E+01 volume  0.53101E-03 ppm1      2.898 ppm2      6.809 CV     1
 ASSI { 1498}
   (( segid "PX14" and resid 48   and name HA  ))
   (  segid "PX19" and resid 106  and name HE% )
      6.000     6.000     0.000 peak  1498 spectrum    2 weight  0.11000E+01 volume  0.42033E-04 ppm1      4.179 ppm2      7.229 CV     1
 ASSI { 1500}
   (( segid "PX14" and resid 34   and name HE1 ))
   (( segid "PX19" and resid 109  and name HA  ))
      6.000     4.500     0.000 peak  1500 spectrum    2 weight  0.11000E+01 volume  0.00000E+00 ppm1      2.895 ppm2      4.190 CV     1
 ASSI { 1501}
   (( segid "PX14" and resid 35   and name HA  ))
   (( segid "PX19" and resid 110  and name HA  ))
      6.000     4.500     0.000 peak  1501 spectrum    2 weight  0.11000E+01 volume  0.00000E+00 ppm1      4.124 ppm2      4.277 CV     1
 ASSI { 1503}
   (  segid "PX14" and resid 28   and name HD1%)
   (( segid "PX19" and resid 110  and name HZ  ))
      6.000     4.500     0.000 peak  1503 spectrum    2 weight  0.11000E+01 volume  0.00000E+00 ppm1      0.977 ppm2      7.053 CV     1
 ASSI { 1505}
   (  segid "PX14" and resid 28   and name HD2%)
   (( segid "PX19" and resid 110  and name HZ  ))
      6.000     6.000     0.000 peak  1505 spectrum    2 weight  0.11000E+01 volume  0.00000E+00 ppm1      0.848 ppm2      7.052 CV     1
 ASSI { 1507}
   (( segid "PX14" and resid 53   and name HA  ))
   (  segid "PX19" and resid 110  and name HE% )
      6.000     4.500     0.000 peak  1507 spectrum    2 weight  0.11000E+01 volume  0.00000E+00 ppm1      3.468 ppm2      7.088 CV     1
 ASSI {    1}
   (  segid "PX19" and resid 105  and name HD% )
   (( segid "PX19" and resid 105  and name HB2 ))
      2.600     0.800     0.800 peak     1 spectrum    3 weight  0.11000E+01 volume  0.46023E-02 ppm1      7.177 ppm2      2.987 CV     1
 ASSI {    1}
   (  segid "PX19" and resid 105  and name HD% )
   (( segid "PX19" and resid 105  and name HB1 ))
      2.600     2.600     3.400 peak     1 spectrum    3 weight  0.11000E+01 volume  0.33286E-02 ppm1      7.177 ppm2      3.166 CV     1
 ASSI {    2}
   (  segid "PX19" and resid 110  and name HD% )
   (( segid "PX19" and resid 110  and name HB1 ))
      2.500     0.800     0.800 peak     2 spectrum    3 weight  0.11000E+01 volume  0.45281E-02 ppm1      6.945 ppm2      3.202 CV     1
 ASSI {    3}
   (  segid "PX19" and resid 110  and name HD% )
   (( segid "PX19" and resid 110  and name HB2 ))
      2.500     2.500     3.500 peak     3 spectrum    3 weight  0.11000E+01 volume  0.41434E-02 ppm1      6.942 ppm2      2.936 CV     1
 ASSI {    4}
   (  segid "PX19" and resid 106  and name HD% )
   (( segid "PX19" and resid 106  and name HB1 ))
      2.800     1.000     1.000 peak     4 spectrum    3 weight  0.11000E+01 volume  0.23726E-02 ppm1      6.892 ppm2      2.773 CV     1
 ASSI {    5}
   (  segid "PX14" and resid 52   and name HD% )
   (( segid "PX14" and resid 52   and name HB2 ))
      2.300     0.600     0.600 peak     5 spectrum    3 weight  0.11000E+01 volume  0.79870E-02 ppm1      6.800 ppm2      2.942 CV     1
 ASSI {    6}
   (  segid "PX14" and resid 52   and name HD% )
   (( segid "PX14" and resid 52   and name HB1 ))
      2.200     0.600     0.600 peak     6 spectrum    3 weight  0.11000E+01 volume  0.82443E-02 ppm1      6.803 ppm2      3.455 CV     1
 ASSI {    7}
   (  segid "PX14" and resid 35   and name HD% )
   (( segid "PX14" and resid 35   and name HB2 ))
      2.300     0.700     0.700 peak     7 spectrum    3 weight  0.11000E+01 volume  0.69541E-02 ppm1      7.092 ppm2      3.252 CV     1
 ASSI {    9}
   (  segid "PX14" and resid 35   and name HD% )
   (( segid "PX14" and resid 35   and name HA  ))
      2.700     0.900     0.900 peak     9 spectrum    3 weight  0.11000E+01 volume  0.29178E-02 ppm1      7.094 ppm2      4.118 CV     1
 ASSI {   11}
   (  segid "PX14" and resid 67   and name HD% )
   (( segid "PX14" and resid 67   and name HB2 ))
      2.500     0.800     0.800 peak    11 spectrum    3 weight  0.11000E+01 volume  0.31074E-02 ppm1      7.296 ppm2      3.052 CV     1
 ASSI {   12}
   (  segid "PX14" and resid 67   and name HD% )
   (( segid "PX14" and resid 67   and name HB1 ))
      2.800     1.000     1.000 peak    12 spectrum    3 weight  0.11000E+01 volume  0.36877E-02 ppm1      7.296 ppm2      3.364 CV     1
 ASSI {   13}
   (  segid "PX14" and resid 67   and name HD% )
   (( segid "PX14" and resid 67   and name HA  ))
      2.700     0.900     0.900 peak    13 spectrum    3 weight  0.11000E+01 volume  0.19543E-02 ppm1      7.298 ppm2      3.994 CV     1
 ASSI {   14}
   (( segid "PX14" and resid 81   and name HD1 ))
   (( segid "PX14" and resid 81   and name HB2 ))
      3.300     1.400     1.400 peak    14 spectrum    3 weight  0.11000E+01 volume  0.21396E-02 ppm1      7.582 ppm2      3.113 CV     1
 ASSI {   15}
   (( segid "PX14" and resid 81   and name HD1 ))
   (( segid "PX14" and resid 81   and name HB1 ))
      2.900     1.100     1.100 peak    15 spectrum    3 weight  0.11000E+01 volume  0.21205E-02 ppm1      7.582 ppm2      3.303 CV     1
 ASSI {   17}
   (  segid "PX19" and resid 105  and name HD% )
   (( segid "PX19" and resid 105  and name HA  ))
      2.800     1.000     1.000 peak    17 spectrum    3 weight  0.11000E+01 volume  0.28113E-02 ppm1      7.177 ppm2      4.495 CV     1
 ASSI {   18}
   (  segid "PX19" and resid 105  and name HE% )
   (  segid "PX19" and resid 105  and name HD% )
      2.200     0.600     0.600 peak    18 spectrum    3 weight  0.11000E+01 volume  0.75548E-02 ppm1      7.244 ppm2      7.175 CV     1
 ASSI {   21}
   (  segid "PX19" and resid 106  and name HD% )
   (( segid "PX19" and resid 106  and name HA  ))
      2.400     2.400     3.600 peak    21 spectrum    3 weight  0.11000E+01 volume  0.56283E-02 ppm1      6.894 ppm2      4.191 CV     1
 ASSI {   22}
   (  segid "PX19" and resid 106  and name HE% )
   (( segid "PX19" and resid 106  and name HZ  ))
      2.300     0.600     0.600 peak    22 spectrum    3 weight  0.11000E+01 volume  0.84134E-02 ppm1      7.201 ppm2      7.277 CV     1
 ASSI {   23}
   (  segid "PX19" and resid 106  and name HE% )
   (  segid "PX19" and resid 106  and name HD% )
      2.000     0.500     0.500 peak    23 spectrum    3 weight  0.11000E+01 volume  0.14895E-01 ppm1      7.196 ppm2      6.889 CV     1
 ASSI {   24}
   (  segid "PX19" and resid 110  and name HD% )
   (  segid "PX19" and resid 110  and name HE% )
      2.000     0.500     0.500 peak    24 spectrum    3 weight  0.11000E+01 volume  0.11727E-01 ppm1      6.942 ppm2      7.022 CV     1
 ASSI {   26}
   (  segid "PX14" and resid 67   and name HD% )
   (  segid "PX14" and resid 67   and name HE% )
      1.700     1.700     4.300 peak    26 spectrum    3 weight  0.11000E+01 volume  0.26374E-01 ppm1      7.296 ppm2      7.096 CV     1
 ASSI {   27}
   (  segid "PX14" and resid 35   and name HE% )
   (( segid "PX14" and resid 35   and name HZ  ))
      2.300     2.300     3.700 peak    27 spectrum    3 weight  0.11000E+01 volume  0.58811E-02 ppm1      6.811 ppm2      5.857 CV     1
 ASSI {   28}
   (  segid "PX14" and resid 35   and name HE% )
   (  segid "PX14" and resid 35   and name HD% )
      1.900     0.500     0.500 peak    28 spectrum    3 weight  0.11000E+01 volume  0.14004E-01 ppm1      6.813 ppm2      7.089 CV     1
 ASSI {   30}
   (  segid "PX14" and resid 52   and name HE% )
   (  segid "PX14" and resid 52   and name HD% )
      1.900     0.500     0.500 peak    30 spectrum    3 weight  0.11000E+01 volume  0.16826E-01 ppm1      6.651 ppm2      6.800 CV     1
 ASSI {   32}
   (( segid "PX19" and resid 105  and name HA  ))
   (( segid "PX19" and resid 105  and name HB1 ))
      2.700     0.900     0.900 peak    32 spectrum    3 weight  0.11000E+01 volume  0.53814E-02 ppm1      4.495 ppm2      3.151 CV     1
 ASSI {   34}
   (( segid "PX19" and resid 109  and name HA  ))
   (( segid "PX19" and resid 109  and name HB1 ))
      2.700     0.900     0.900 peak    34 spectrum    3 weight  0.11000E+01 volume  0.34230E-02 ppm1      4.168 ppm2      1.550 CV     1
 ASSI {   35}
   (( segid "PX19" and resid 109  and name HA  ))
   (  segid "PX19" and resid 109  and name HD1%)
      2.400     2.400     3.600 peak    35 spectrum    3 weight  0.11000E+01 volume  0.86853E-02 ppm1      4.166 ppm2      0.773 CV     1
 ASSI {   38}
   (( segid "PX19" and resid 111  and name HA  ))
   (( segid "PX19" and resid 111  and name HB1 ))
      2.900     1.000     1.000 peak    38 spectrum    3 weight  0.11000E+01 volume  0.38563E-02 ppm1      4.673 ppm2      2.848 CV     1
 ASSI {   39}
   (( segid "PX19" and resid 111  and name HA  ))
   (( segid "PX19" and resid 111  and name HB2 ))
      2.900     1.000     1.000 peak    39 spectrum    3 weight  0.11000E+01 volume  0.22919E-02 ppm1      4.675 ppm2      2.582 CV     1
 ASSI {   42}
   (  segid "PX14" and resid 35   and name HD% )
   (  segid "PX14" and resid 41   and name HG2%)
      2.800     1.000     1.000 peak    42 spectrum    3 weight  0.11000E+01 volume  0.25547E-02 ppm1      7.093 ppm2      0.026 CV     1
 ASSI {   43}
   (  segid "PX14" and resid 35   and name HD% )
   (  segid "PX14" and resid 41   and name HG1%)
      2.200     2.200     3.800 peak    43 spectrum    3 weight  0.11000E+01 volume  0.68209E-02 ppm1      7.096 ppm2      0.283 CV     1
 ASSI {   45}
   (  segid "PX14" and resid 67   and name HE% )
   (( segid "PX14" and resid 67   and name HB2 ))
      3.800     1.800     1.800 peak    45 spectrum    3 weight  0.11000E+01 volume  0.10491E-02 ppm1      7.100 ppm2      3.052 CV     1
 ASSI {   47}
   (  segid "PX19" and resid 106  and name HE% )
   (  segid "PX14" and resid 41   and name HG1%)
      2.700     2.700     3.300 peak    47 spectrum    3 weight  0.11000E+01 volume  0.19873E-02 ppm1      7.200 ppm2      0.291 CV     1
 ASSI {   50}
   (  segid "PX19" and resid 106  and name HD% )
   (  segid "PX14" and resid 41   and name HG2%)
      4.200     4.200     1.800 peak    50 spectrum    3 weight  0.11000E+01 volume  0.13880E-03 ppm1      6.892 ppm2      0.024 CV     1
 ASSI {   54}
   (  segid "PX19" and resid 105  and name HE% )
   (( segid "PX19" and resid 105  and name HZ  ))
      2.400     0.700     0.700 peak    54 spectrum    3 weight  0.11000E+01 volume  0.48262E-02 ppm1      7.249 ppm2      7.289 CV     1
 ASSI {   55}
   (  segid "PX14" and resid 67   and name HE% )
   (( segid "PX14" and resid 67   and name HZ  ))
      2.500     0.800     0.800 peak    55 spectrum    3 weight  0.11000E+01 volume  0.27689E-02 ppm1      7.098 ppm2      6.990 CV     1
 ASSI {   64}
   (( segid "PX14" and resid 52   and name HZ  ))
   (  segid "PX14" and resid 52   and name HE% )
      2.300     0.600     0.600 peak    64 spectrum    3 weight  0.11000E+01 volume  0.65457E-02 ppm1      6.692 ppm2      6.656 CV     1
 ASSI {   65}
   (( segid "PX14" and resid 52   and name HZ  ))
   (  segid "PX14" and resid 52   and name HD% )
      3.300     1.400     1.400 peak    65 spectrum    3 weight  0.11000E+01 volume  0.18619E-02 ppm1      6.692 ppm2      6.800 CV     1
 ASSI {   66}
   (  segid "PX14" and resid 52   and name HE% )
   (  segid "PX19" and resid 110  and name HD% )
      3.700     1.800     1.800 peak    66 spectrum    3 weight  0.11000E+01 volume  0.33353E-03 ppm1      6.654 ppm2      6.940 CV     1
 ASSI {   69}
   (  segid "PX14" and resid 67   and name HD% )
   (( segid "PX14" and resid 67   and name HZ  ))
      3.300     1.400     1.400 peak    69 spectrum    3 weight  0.11000E+01 volume  0.13286E-02 ppm1      7.297 ppm2      6.991 CV     1
 ASSI {   70}
   (  segid "PX19" and resid 106  and name HD% )
   (  segid "PX19" and resid 105  and name HE% )
      4.100     4.100     1.900 peak    70 spectrum    3 weight  0.11000E+01 volume  0.31452E-03 ppm1      6.896 ppm2      7.275 CV     1
 ASSI {   72}
   (  segid "PX19" and resid 110  and name HD% )
   (  segid "PX14" and resid 35   and name HD% )
      3.300     1.400     1.400 peak    72 spectrum    3 weight  0.11000E+01 volume  0.74914E-03 ppm1      6.944 ppm2      7.087 CV     1
 ASSI {   73}
   (  segid "PX14" and resid 35   and name HD% )
   (( segid "PX14" and resid 35   and name HZ  ))
      3.900     3.900     2.100 peak    73 spectrum    3 weight  0.11000E+01 volume  0.71995E-03 ppm1      7.092 ppm2      5.863 CV     1
 ASSI {   75}
   (( segid "PX14" and resid 35   and name HZ  ))
   (  segid "PX19" and resid 106  and name HD% )
      4.400     4.400     1.600 peak    75 spectrum    3 weight  0.11000E+01 volume  0.12587E-03 ppm1      5.871 ppm2      6.889 CV     1
 ASSI {   76}
   (  segid "PX14" and resid 52   and name HE% )
   (  segid "PX19" and resid 106  and name HD% )
      3.100     3.100     2.900 peak    76 spectrum    3 weight  0.11000E+01 volume  0.12198E-02 ppm1      6.656 ppm2      6.891 CV     1
 ASSI {   77}
   (( segid "PX14" and resid 52   and name HZ  ))
   (  segid "PX19" and resid 106  and name HD% )
      4.600     2.600     1.400 peak    77 spectrum    3 weight  0.11000E+01 volume  0.19796E-03 ppm1      6.694 ppm2      6.891 CV     1
 ASSI {   78}
   (( segid "PX14" and resid 52   and name HZ  ))
   (  segid "PX19" and resid 110  and name HD% )
      4.300     2.300     1.700 peak    78 spectrum    3 weight  0.11000E+01 volume  0.16498E-03 ppm1      6.694 ppm2      6.940 CV     1
 ASSI {   79}
   (( segid "PX14" and resid 52   and name HZ  ))
   (  segid "PX14" and resid 35   and name HD% )
      4.000     2.000     2.000 peak    79 spectrum    3 weight  0.11000E+01 volume  0.31658E-03 ppm1      6.693 ppm2      7.089 CV     1
 ASSI {   80}
   (  segid "PX14" and resid 52   and name HE% )
   (  segid "PX14" and resid 35   and name HD% )
      3.300     1.400     1.400 peak    80 spectrum    3 weight  0.11000E+01 volume  0.65487E-03 ppm1      6.655 ppm2      7.089 CV     1
 ASSI {   81}
   (  segid "PX14" and resid 52   and name HE% )
   (  segid "PX19" and resid 110  and name HE% )
      3.800     1.800     1.800 peak    81 spectrum    3 weight  0.11000E+01 volume  0.26716E-03 ppm1      6.656 ppm2      7.020 CV     1
 ASSI {   83}
   (  segid "PX14" and resid 35   and name HE% )
   (  segid "PX19" and resid 105  and name HE% )
      4.700     4.700     1.300 peak    83 spectrum    3 weight  0.11000E+01 volume  0.14505E-03 ppm1      6.817 ppm2      7.242 CV     1
 ASSI {   85}
   (  segid "PX14" and resid 35   and name HE% )
   (  segid "PX19" and resid 106  and name HE% )
      3.400     3.400     2.600 peak    85 spectrum    3 weight  0.11000E+01 volume  0.97866E-03 ppm1      6.811 ppm2      7.196 CV     1
 ASSI {   86}
   (  segid "PX19" and resid 106  and name HD% )
   (  segid "PX14" and resid 35   and name HD% )
      4.900     4.900     1.100 peak    86 spectrum    3 weight  0.11000E+01 volume  0.24166E-03 ppm1      6.898 ppm2      7.094 CV     1
 ASSI {   87}
   (( segid "PX19" and resid 106  and name HZ  ))
   (  segid "PX19" and resid 106  and name HD% )
      4.400     2.400     1.600 peak    87 spectrum    3 weight  0.11000E+01 volume  0.40212E-03 ppm1      7.278 ppm2      6.891 CV     1
 ASSI {   88}
   (  segid "PX14" and resid 35   and name HE% )
   (  segid "PX19" and resid 110  and name HD% )
      3.200     3.200     2.800 peak    88 spectrum    3 weight  0.11000E+01 volume  0.14901E-02 ppm1      6.809 ppm2      6.939 CV     1
 ASSI {   89}
   (  segid "PX14" and resid 35   and name HE% )
   (  segid "PX19" and resid 106  and name HD% )
      3.100     3.100     2.900 peak    89 spectrum    3 weight  0.11000E+01 volume  0.33826E-02 ppm1      6.809 ppm2      6.888 CV     1
 ASSI {   90}
   (( segid "PX14" and resid 35   and name HZ  ))
   (  segid "PX14" and resid 52   and name HE% )
      3.900     3.900     2.100 peak    90 spectrum    3 weight  0.11000E+01 volume  0.42132E-03 ppm1      5.863 ppm2      6.652 CV     1
 ASSI {   91}
   (( segid "PX14" and resid 35   and name HZ  ))
   (( segid "PX14" and resid 52   and name HZ  ))
      4.800     4.800     1.200 peak    91 spectrum    3 weight  0.11000E+01 volume  0.10122E-03 ppm1      5.860 ppm2      6.688 CV     1
 ASSI {   92}
   (( segid "PX14" and resid 35   and name HZ  ))
   (  segid "PX19" and resid 106  and name HE% )
      6.000     6.000     0.000 peak    92 spectrum    3 weight  0.11000E+01 volume  0.19087E-04 ppm1      5.869 ppm2      7.202 CV     1
 ASSI {   93}
   (  segid "PX14" and resid 52   and name HE% )
   (  segid "PX19" and resid 106  and name HE% )
      5.600     5.600     0.400 peak    93 spectrum    3 weight  0.11000E+01 volume  0.67372E-04 ppm1      6.658 ppm2      7.195 CV     1
 ASSI {   97}
   (  segid "PX14" and resid 35   and name HE% )
   (( segid "PX14" and resid 35   and name HB2 ))
      3.700     1.700     1.700 peak    97 spectrum    3 weight  0.11000E+01 volume  0.11924E-02 ppm1      6.815 ppm2      3.253 CV     1
 ASSI {   98}
   (  segid "PX14" and resid 52   and name HD% )
   (( segid "PX19" and resid 110  and name HB1 ))
      4.400     4.400     1.600 peak    98 spectrum    3 weight  0.11000E+01 volume  0.59564E-03 ppm1      6.809 ppm2      3.205 CV     1
 ASSI {   99}
   (( segid "PX14" and resid 52   and name HZ  ))
   (( segid "PX19" and resid 110  and name HB1 ))
      4.700     2.800     1.300 peak    99 spectrum    3 weight  0.11000E+01 volume  0.56385E-03 ppm1      6.692 ppm2      3.203 CV     1
 ASSI {  100}
   (  segid "PX14" and resid 52   and name HE% )
   (( segid "PX19" and resid 110  and name HB1 ))
      4.200     2.200     1.800 peak   100 spectrum    3 weight  0.11000E+01 volume  0.98333E-03 ppm1      6.655 ppm2      3.201 CV     1
 ASSI {  101}
   (  segid "PX14" and resid 52   and name HE% )
   (( segid "PX14" and resid 52   and name HB1 ))
      3.800     1.800     1.800 peak   101 spectrum    3 weight  0.11000E+01 volume  0.11563E-02 ppm1      6.654 ppm2      3.453 CV     1
 ASSI {  102}
   (  segid "PX14" and resid 52   and name HE% )
   (( segid "PX14" and resid 52   and name HB2 ))
      3.300     1.400     1.400 peak   102 spectrum    3 weight  0.11000E+01 volume  0.24367E-02 ppm1      6.655 ppm2      2.939 CV     1
 ASSI {  103}
   (( segid "PX14" and resid 52   and name HZ  ))
   (( segid "PX14" and resid 52   and name HB2 ))
      3.700     3.700     2.300 peak   103 spectrum    3 weight  0.11000E+01 volume  0.83383E-03 ppm1      6.692 ppm2      2.939 CV     1
 ASSI {  104}
   (  segid "PX14" and resid 52   and name HE% )
   (( segid "PX19" and resid 106  and name HB1 ))
      3.200     3.200     2.800 peak   104 spectrum    3 weight  0.11000E+01 volume  0.72470E-03 ppm1      6.657 ppm2      2.770 CV     1
 ASSI {  106}
   (( segid "PX14" and resid 35   and name HZ  ))
   (( segid "PX19" and resid 106  and name HB1 ))
      4.700     4.700     1.300 peak   106 spectrum    3 weight  0.11000E+01 volume  0.27998E-03 ppm1      5.866 ppm2      2.771 CV     1
 ASSI {  107}
   (( segid "PX14" and resid 35   and name HZ  ))
   (( segid "PX14" and resid 52   and name HB2 ))
      3.900     3.900     2.100 peak   107 spectrum    3 weight  0.11000E+01 volume  0.41816E-03 ppm1      5.865 ppm2      2.939 CV     1
 ASSI {  108}
   (( segid "PX14" and resid 35   and name HZ  ))
   (( segid "PX14" and resid 52   and name HB1 ))
      4.100     4.100     1.900 peak   108 spectrum    3 weight  0.11000E+01 volume  0.38546E-03 ppm1      5.861 ppm2      3.448 CV     1
 ASSI {  109}
   (  segid "PX19" and resid 110  and name HE% )
   (( segid "PX14" and resid 35   and name HA  ))
      2.900     2.900     3.100 peak   109 spectrum    3 weight  0.11000E+01 volume  0.11402E-02 ppm1      7.026 ppm2      4.118 CV     1
 ASSI {  110}
   (  segid "PX19" and resid 110  and name HD% )
   (( segid "PX14" and resid 35   and name HA  ))
      3.100     3.100     2.900 peak   110 spectrum    3 weight  0.11000E+01 volume  0.81335E-03 ppm1      6.943 ppm2      4.114 CV     1
 ASSI {  112}
   (( segid "PX14" and resid 52   and name HZ  ))
   (( segid "PX14" and resid 35   and name HA  ))
      3.200     3.200     2.800 peak   112 spectrum    3 weight  0.11000E+01 volume  0.23616E-02 ppm1      6.694 ppm2      4.109 CV     1
 ASSI {  113}
   (  segid "PX14" and resid 52   and name HE% )
   (( segid "PX14" and resid 35   and name HA  ))
      3.400     3.400     2.600 peak   113 spectrum    3 weight  0.11000E+01 volume  0.16968E-02 ppm1      6.656 ppm2      4.109 CV     1
 ASSI {  115}
   (  segid "PX14" and resid 35   and name HD% )
   (( segid "PX19" and resid 110  and name HB2 ))
      3.100     3.100     2.900 peak   115 spectrum    3 weight  0.11000E+01 volume  0.10229E-02 ppm1      7.093 ppm2      2.938 CV     1
 ASSI {  116}
   (( segid "PX14" and resid 67   and name HZ  ))
   (  segid "PX14" and resid 36   and name HD2%)
      3.600     1.700     1.700 peak   116 spectrum    3 weight  0.11000E+01 volume  0.51628E-03 ppm1      6.990 ppm2      0.278 CV     1
 ASSI {  117}
   (( segid "PX14" and resid 67   and name HZ  ))
   (  segid "PX14" and resid 41   and name HG2%)
      4.500     2.500     1.500 peak   117 spectrum    3 weight  0.11000E+01 volume  0.91408E-04 ppm1      6.990 ppm2      0.027 CV     1
 ASSI {  118}
   (  segid "PX19" and resid 106  and name HE% )
   (  segid "PX14" and resid 41   and name HG2%)
      5.000     3.200     1.000 peak   118 spectrum    3 weight  0.11000E+01 volume  0.44168E-04 ppm1      7.200 ppm2      0.026 CV     1
 ASSI {  119}
   (( segid "PX19" and resid 105  and name HZ  ))
   (  segid "PX14" and resid 41   and name HG2%)
      6.000     4.600     0.000 peak   119 spectrum    3 weight  0.11000E+01 volume  0.31248E-04 ppm1      7.284 ppm2      0.027 CV     1
 OR {  119}
   (( segid "PX19" and resid 105  and name HZ  ))
   (  segid "PX14" and resid 41   and name HG2%)
 ASSI {  120}
   (  segid "PX19" and resid 105  and name HE% )
   (  segid "PX14" and resid 41   and name HG2%)
      5.600     5.600     0.400 peak   120 spectrum    3 weight  0.11000E+01 volume  0.31622E-04 ppm1      7.247 ppm2      0.024 CV     1
 ASSI {  121}
   (  segid "PX19" and resid 105  and name HE% )
   (( segid "PX19" and resid 105  and name HA  ))
      5.200     3.300     0.800 peak   121 spectrum    3 weight  0.11000E+01 volume  0.14922E-03 ppm1      7.246 ppm2      4.496 CV     1
 ASSI {  122}
   (  segid "PX14" and resid 35   and name HD% )
   (( segid "PX19" and resid 105  and name HA  ))
      6.000     6.000     0.000 peak   122 spectrum    3 weight  0.11000E+01 volume  0.62671E-04 ppm1      7.094 ppm2      4.496 CV     1
 ASSI {  123}
   (  segid "PX19" and resid 106  and name HD% )
   (( segid "PX19" and resid 105  and name HA  ))
      6.000     6.000     0.000 peak   123 spectrum    3 weight  0.11000E+01 volume  0.41450E-04 ppm1      6.894 ppm2      4.495 CV     1
 ASSI {  124}
   (  segid "PX14" and resid 35   and name HE% )
   (( segid "PX19" and resid 105  and name HA  ))
      6.000     6.000     0.000 peak   124 spectrum    3 weight  0.11000E+01 volume  0.26811E-04 ppm1      6.813 ppm2      4.496 CV     1
 ASSI {  125}
   (  segid "PX19" and resid 110  and name HD% )
   (( segid "PX19" and resid 111  and name HA  ))
      4.200     4.200     1.800 peak   125 spectrum    3 weight  0.11000E+01 volume  0.23277E-03 ppm1      6.942 ppm2      4.671 CV     1
 ASSI {  126}
   (  segid "PX14" and resid 52   and name HE% )
   (  segid "PX14" and resid 41   and name HG1%)
      4.100     4.100     1.900 peak   126 spectrum    3 weight  0.11000E+01 volume  0.40087E-03 ppm1      6.655 ppm2      0.290 CV     1
 ASSI {  127}
   (  segid "PX14" and resid 52   and name HE% )
   (  segid "PX14" and resid 41   and name HG2%)
      4.800     2.900     1.200 peak   127 spectrum    3 weight  0.11000E+01 volume  0.12588E-03 ppm1      6.656 ppm2      0.026 CV     1
 ASSI {  128}
   (  segid "PX14" and resid 52   and name HE% )
   (( segid "PX14" and resid 56   and name HD1 ))
      3.500     1.600     1.600 peak   128 spectrum    3 weight  0.11000E+01 volume  0.63730E-03 ppm1      6.654 ppm2      0.207 CV     1
 ASSI {  129}
   (( segid "PX14" and resid 52   and name HZ  ))
   (( segid "PX14" and resid 56   and name HD1 ))
      4.100     2.100     1.900 peak   129 spectrum    3 weight  0.11000E+01 volume  0.28334E-03 ppm1      6.691 ppm2      0.204 CV     1
 ASSI {  130}
   (( segid "PX14" and resid 52   and name HZ  ))
   (  segid "PX14" and resid 41   and name HG1%)
      4.000     4.000     2.000 peak   130 spectrum    3 weight  0.11000E+01 volume  0.16892E-03 ppm1      6.692 ppm2      0.286 CV     1
 ASSI {  131}
   (  segid "PX19" and resid 110  and name HE% )
   (( segid "PX14" and resid 56   and name HD2 ))
      3.900     1.900     1.900 peak   131 spectrum    3 weight  0.11000E+01 volume  0.21269E-03 ppm1      7.026 ppm2     -0.372 CV     1
 ASSI {  132}
   (  segid "PX19" and resid 110  and name HD% )
   (( segid "PX14" and resid 56   and name HD2 ))
      4.400     2.400     1.600 peak   132 spectrum    3 weight  0.11000E+01 volume  0.31239E-03 ppm1      6.945 ppm2     -0.386 CV     1
 ASSI {  133}
   (  segid "PX19" and resid 110  and name HD% )
   (( segid "PX14" and resid 56   and name HD1 ))
      5.800     4.200     0.200 peak   133 spectrum    3 weight  0.11000E+01 volume  0.24562E-04 ppm1      6.945 ppm2      0.206 CV     1
 ASSI {  134}
   (  segid "PX19" and resid 110  and name HE% )
   (( segid "PX14" and resid 56   and name HD1 ))
      6.000     4.500     0.000 peak   134 spectrum    3 weight  0.11000E+01 volume  0.23934E-04 ppm1      7.022 ppm2      0.212 CV     1
 ASSI {  135}
   (  segid "PX14" and resid 52   and name HD% )
   (( segid "PX14" and resid 56   and name HD1 ))
      3.500     1.500     1.500 peak   135 spectrum    3 weight  0.11000E+01 volume  0.87742E-03 ppm1      6.804 ppm2      0.210 CV     1
 ASSI {  136}
   (  segid "PX14" and resid 52   and name HD% )
   (( segid "PX14" and resid 56   and name HD2 ))
      3.600     1.700     1.700 peak   136 spectrum    3 weight  0.11000E+01 volume  0.49259E-03 ppm1      6.807 ppm2     -0.385 CV     1
 ASSI {  137}
   (( segid "PX14" and resid 52   and name HZ  ))
   (( segid "PX14" and resid 56   and name HD2 ))
      4.400     2.400     1.600 peak   137 spectrum    3 weight  0.11000E+01 volume  0.18992E-03 ppm1      6.692 ppm2     -0.382 CV     1
 ASSI {  138}
   (  segid "PX14" and resid 52   and name HE% )
   (( segid "PX14" and resid 56   and name HD2 ))
      3.300     1.400     1.400 peak   138 spectrum    3 weight  0.11000E+01 volume  0.80606E-03 ppm1      6.655 ppm2     -0.383 CV     1
 ASSI {  139}
   (  segid "PX19" and resid 110  and name HE% )
   (( segid "PX19" and resid 110  and name HZ  ))
      2.300     0.600     0.600 peak   139 spectrum    3 weight  0.11000E+01 volume  0.66542E-02 ppm1      7.025 ppm2      6.978 CV     1
 ASSI {  142}
   (  segid "PX19" and resid 110  and name HE% )
   (  segid "PX14" and resid 31   and name HG2%)
      5.100     3.200     0.900 peak   142 spectrum    3 weight  0.11000E+01 volume  0.71933E-04 ppm1      7.025 ppm2      0.537 CV     1
 ASSI {  143}
   (  segid "PX19" and resid 110  and name HD% )
   (  segid "PX14" and resid 31   and name HG2%)
      3.400     1.500     1.500 peak   143 spectrum    3 weight  0.11000E+01 volume  0.66335E-03 ppm1      6.942 ppm2      0.538 CV     1
 ASSI {  144}
   (( segid "PX19" and resid 110  and name HZ  ))
   (  segid "PX14" and resid 31   and name HG2%)
      3.700     1.700     1.700 peak   144 spectrum    3 weight  0.11000E+01 volume  0.62803E-03 ppm1      6.981 ppm2      0.536 CV     1
 ASSI {  145}
   (  segid "PX14" and resid 35   and name HE% )
   (  segid "PX14" and resid 31   and name HG2%)
      6.000     6.000     0.000 peak   145 spectrum    3 weight  0.11000E+01 volume  0.19213E-04 ppm1      6.814 ppm2      0.541 CV     1
 ASSI {  148}
   (  segid "PX19" and resid 105  and name HD% )
   (  segid "PX19" and resid 109  and name HD1%)
      3.500     1.500     1.500 peak   148 spectrum    3 weight  0.11000E+01 volume  0.74469E-03 ppm1      7.179 ppm2      0.782 CV     1
 ASSI {  149}
   (  segid "PX19" and resid 105  and name HE% )
   (  segid "PX19" and resid 109  and name HD1%)
      2.900     2.900     3.100 peak   149 spectrum    3 weight  0.11000E+01 volume  0.21068E-02 ppm1      7.248 ppm2      0.781 CV     1
 ASSI {  150}
   (  segid "PX19" and resid 106  and name HD% )
   (  segid "PX19" and resid 109  and name HD1%)
      4.000     4.000     2.000 peak   150 spectrum    3 weight  0.11000E+01 volume  0.56954E-03 ppm1      6.894 ppm2      0.782 CV     1
 ASSI {  151}
   (  segid "PX19" and resid 106  and name HD% )
   (  segid "PX14" and resid 48   and name HG2%)
      4.300     2.300     1.700 peak   151 spectrum    3 weight  0.11000E+01 volume  0.30909E-03 ppm1      6.895 ppm2      1.437 CV     1
 ASSI {  152}
   (  segid "PX19" and resid 106  and name HD% )
   (( segid "PX19" and resid 109  and name HB1 ))
      5.300     3.500     0.700 peak   152 spectrum    3 weight  0.11000E+01 volume  0.15696E-03 ppm1      6.893 ppm2      1.553 CV     1
 ASSI {  153}
   (  segid "PX19" and resid 105  and name HE% )
   (( segid "PX19" and resid 109  and name HB1 ))
      4.000     4.000     2.000 peak   153 spectrum    3 weight  0.11000E+01 volume  0.51759E-03 ppm1      7.248 ppm2      1.552 CV     1
 ASSI {  154}
   (  segid "PX19" and resid 105  and name HD% )
   (( segid "PX19" and resid 109  and name HB1 ))
      5.300     3.500     0.700 peak   154 spectrum    3 weight  0.11000E+01 volume  0.11721E-03 ppm1      7.179 ppm2      1.554 CV     1
 ASSI {  155}
   (  segid "PX14" and resid 35   and name HD% )
   (  segid "PX19" and resid 109  and name HD1%)
      2.500     2.500     3.500 peak   155 spectrum    3 weight  0.11000E+01 volume  0.67684E-02 ppm1      7.096 ppm2      0.783 CV     1
 ASSI {  156}
   (  segid "PX19" and resid 110  and name HE% )
   (( segid "PX19" and resid 110  and name HB2 ))
      5.500     3.800     0.500 peak   156 spectrum    3 weight  0.11000E+01 volume  0.11177E-03 ppm1      7.024 ppm2      2.938 CV     1
 ASSI {  157}
   (  segid "PX19" and resid 110  and name HE% )
   (( segid "PX19" and resid 110  and name HB1 ))
      4.800     2.800     1.200 peak   157 spectrum    3 weight  0.11000E+01 volume  0.28049E-03 ppm1      7.024 ppm2      3.203 CV     1
 ASSI {  158}
   (  segid "PX19" and resid 110  and name HE% )
   (( segid "PX14" and resid 35   and name HB2 ))
      5.300     5.300     0.700 peak   158 spectrum    3 weight  0.11000E+01 volume  0.74994E-04 ppm1      7.024 ppm2      3.255 CV     1
 ASSI {  159}
   (  segid "PX19" and resid 110  and name HE% )
   (( segid "PX14" and resid 35   and name HB1 ))
      4.800     4.800     1.200 peak   159 spectrum    3 weight  0.11000E+01 volume  0.12935E-03 ppm1      7.025 ppm2      3.482 CV     1
 ASSI {  160}
   (  segid "PX19" and resid 110  and name HD% )
   (( segid "PX14" and resid 35   and name HB1 ))
      3.800     1.800     1.800 peak   160 spectrum    3 weight  0.11000E+01 volume  0.69324E-03 ppm1      6.944 ppm2      3.484 CV     1
 ASSI {  161}
   (  segid "PX19" and resid 110  and name HD% )
   (( segid "PX14" and resid 35   and name HB2 ))
      3.000     1.100     1.100 peak   161 spectrum    3 weight  0.11000E+01 volume  0.95767E-03 ppm1      6.943 ppm2      3.254 CV     1
 ASSI {  165}
   (( segid "PX14" and resid 67   and name HZ  ))
   (( segid "PX14" and resid 49   and name HD1 ))
      3.900     1.900     1.900 peak   165 spectrum    3 weight  0.11000E+01 volume  0.62310E-03 ppm1      6.990 ppm2      3.322 CV     1
 ASSI {  167}
   (  segid "PX14" and resid 67   and name HE% )
   (( segid "PX14" and resid 49   and name HB1 ))
      3.600     1.600     1.600 peak   167 spectrum    3 weight  0.11000E+01 volume  0.87392E-03 ppm1      7.099 ppm2      2.411 CV     1
 ASSI {  168}
   (  segid "PX14" and resid 35   and name HE% )
   (( segid "PX14" and resid 49   and name HB1 ))
      3.600     3.600     2.400 peak   168 spectrum    3 weight  0.11000E+01 volume  0.65012E-03 ppm1      6.814 ppm2      2.407 CV     1
 ASSI {  169}
   (  segid "PX14" and resid 35   and name HE% )
   (( segid "PX14" and resid 49   and name HD1 ))
      3.600     3.600     2.400 peak   169 spectrum    3 weight  0.11000E+01 volume  0.10062E-02 ppm1      6.814 ppm2      3.320 CV     1
 ASSI {  170}
   (( segid "PX14" and resid 67   and name HZ  ))
   (( segid "PX14" and resid 49   and name HD2 ))
      3.200     1.300     1.300 peak   170 spectrum    3 weight  0.11000E+01 volume  0.69956E-03 ppm1      6.989 ppm2      2.771 CV     1
 ASSI {  171}
   (  segid "PX14" and resid 67   and name HE% )
   (( segid "PX14" and resid 49   and name HD2 ))
      3.100     1.200     1.200 peak   171 spectrum    3 weight  0.11000E+01 volume  0.10214E-02 ppm1      7.098 ppm2      2.768 CV     1
 ASSI {  172}
   (  segid "PX14" and resid 67   and name HD% )
   (( segid "PX14" and resid 49   and name HD2 ))
      4.200     2.200     1.800 peak   172 spectrum    3 weight  0.11000E+01 volume  0.47374E-03 ppm1      7.296 ppm2      2.771 CV     1
 ASSI {  173}
   (  segid "PX14" and resid 67   and name HD% )
   (( segid "PX14" and resid 49   and name HB1 ))
      5.000     3.100     1.000 peak   173 spectrum    3 weight  0.11000E+01 volume  0.25208E-03 ppm1      7.298 ppm2      2.418 CV     1
 ASSI {  174}
   (  segid "PX19" and resid 105  and name HE% )
   (( segid "PX14" and resid 41   and name HA  ))
      5.800     5.800     0.200 peak   174 spectrum    3 weight  0.11000E+01 volume  0.33627E-04 ppm1      7.248 ppm2      3.440 CV     1
 ASSI {  175}
   (  segid "PX14" and resid 35   and name HD% )
   (( segid "PX19" and resid 110  and name HB1 ))
      6.000     6.000     0.000 peak   175 spectrum    3 weight  0.11000E+01 volume  0.16242E-04 ppm1      7.094 ppm2      3.206 CV     1
 ASSI {  176}
   (( segid "PX19" and resid 111  and name HA  ))
   (  segid "PX14" and resid 31   and name HG2%)
      4.700     4.700     1.300 peak   176 spectrum    3 weight  0.11000E+01 volume  0.14094E-03 ppm1      4.674 ppm2      0.531 CV     1
 ASSI {  177}
   (( segid "PX14" and resid 35   and name HZ  ))
   (  segid "PX14" and resid 41   and name HG1%)
      4.100     4.100     1.900 peak   177 spectrum    3 weight  0.11000E+01 volume  0.45883E-03 ppm1      5.863 ppm2      0.289 CV     1
 ASSI {  178}
   (( segid "PX14" and resid 35   and name HZ  ))
   (  segid "PX14" and resid 41   and name HG2%)
      4.300     4.300     1.700 peak   178 spectrum    3 weight  0.11000E+01 volume  0.16873E-03 ppm1      5.866 ppm2      0.027 CV     1
 ASSI {  179}
   (( segid "PX14" and resid 35   and name HZ  ))
   (  segid "PX14" and resid 48   and name HG2%)
      5.100     5.100     0.900 peak   179 spectrum    3 weight  0.11000E+01 volume  0.11701E-03 ppm1      5.867 ppm2      1.438 CV     1
 ASSI {  180}
   (  segid "PX14" and resid 52   and name HE% )
   (  segid "PX14" and resid 48   and name HG2%)
      3.500     3.500     2.500 peak   180 spectrum    3 weight  0.11000E+01 volume  0.10174E-02 ppm1      6.655 ppm2      1.439 CV     1
 ASSI {  181}
   (  segid "PX19" and resid 106  and name HE% )
   (  segid "PX14" and resid 48   and name HG2%)
      3.000     1.100     1.100 peak   181 spectrum    3 weight  0.11000E+01 volume  0.16693E-02 ppm1      7.201 ppm2      1.438 CV     1
 ASSI {  182}
   (( segid "PX19" and resid 106  and name HZ  ))
   (  segid "PX14" and resid 48   and name HG2%)
      3.200     1.200     1.200 peak   182 spectrum    3 weight  0.11000E+01 volume  0.13630E-02 ppm1      7.282 ppm2      1.438 CV     1
 ASSI {  183}
   (( segid "PX14" and resid 52   and name HZ  ))
   (  segid "PX14" and resid 48   and name HG2%)
      4.900     4.900     1.100 peak   183 spectrum    3 weight  0.11000E+01 volume  0.14677E-03 ppm1      6.692 ppm2      1.438 CV     1
 ASSI {  185}
   (( segid "PX14" and resid 52   and name HZ  ))
   (( segid "PX14" and resid 52   and name HA  ))
      4.200     2.200     1.800 peak   185 spectrum    3 weight  0.11000E+01 volume  0.43805E-03 ppm1      6.694 ppm2      4.162 CV     1
 ASSI {  186}
   (  segid "PX14" and resid 35   and name HE% )
   (( segid "PX19" and resid 106  and name HA  ))
      4.400     2.400     1.600 peak   186 spectrum    3 weight  0.11000E+01 volume  0.12214E-03 ppm1      6.816 ppm2      4.194 CV     1
 ASSI {  187}
   (( segid "PX14" and resid 35   and name HZ  ))
   (( segid "PX19" and resid 106  and name HA  ))
      6.000     6.000     0.000 peak   187 spectrum    3 weight  0.11000E+01 volume  0.12301E-04 ppm1      5.871 ppm2      4.193 CV     1
 ASSI {  188}
   (  segid "PX14" and resid 35   and name HD% )
   (( segid "PX19" and resid 106  and name HA  ))
      6.000     4.600     0.000 peak   188 spectrum    3 weight  0.11000E+01 volume  0.96481E-04 ppm1      7.094 ppm2      4.203 CV     1
 ASSI {  193}
   (( segid "PX19" and resid 110  and name HZ  ))
   (( segid "PX14" and resid 56   and name HD1 ))
      4.400     4.400     1.600 peak   193 spectrum    3 weight  0.11000E+01 volume  0.10142E-03 ppm1      6.985 ppm2      0.985 CV     1
 ASSI {  194}
   (( segid "PX19" and resid 110  and name HZ  ))
   (( segid "PX14" and resid 56   and name HD2 ))
      4.100     2.100     1.900 peak   194 spectrum    3 weight  0.11000E+01 volume  0.14362E-03 ppm1      6.989 ppm2      0.750 CV     1
 ASSI {  195}
   (( segid "PX19" and resid 110  and name HB1 ))
   (( segid "PX14" and resid 56   and name HD1 ))
      6.000     6.000     0.000 peak   195 spectrum    3 weight  0.11000E+01 volume  0.11303E-04 ppm1      3.462 ppm2      0.982 CV     1
 ASSI {  196}
   (( segid "PX19" and resid 110  and name HB1 ))
   (( segid "PX14" and resid 56   and name HD2 ))
      6.000     5.100     0.000 peak   196 spectrum    3 weight  0.11000E+01 volume  0.29344E-04 ppm1      3.458 ppm2      0.755 CV     1
 ASSI {  197}
   (( segid "PX19" and resid 110  and name HB2 ))
   (( segid "PX14" and resid 56   and name HD2 ))
      6.000     5.300     0.000 peak   197 spectrum    3 weight  0.11000E+01 volume  0.25050E-04 ppm1      2.947 ppm2      0.758 CV     1
 ASSI {  198}
   (( segid "PX19" and resid 110  and name HB2 ))
   (( segid "PX14" and resid 56   and name HD1 ))
      6.000     6.000     0.000 peak   198 spectrum    3 weight  0.11000E+01 volume  0.11345E-04 ppm1      2.968 ppm2      0.979 CV     1
 ASSI {  199}
   (  segid "PX19" and resid 110  and name HE% )
   (( segid "PX14" and resid 56   and name HB1 ))
      5.700     4.100     0.300 peak   199 spectrum    3 weight  0.11000E+01 volume  0.20766E-04 ppm1      7.026 ppm2      1.409 CV     1
 ASSI {  200}
   (  segid "PX19" and resid 110  and name HE% )
   (( segid "PX14" and resid 56   and name HB2 ))
      6.000     6.000     0.000 peak   200 spectrum    3 weight  0.11000E+01 volume  0.14343E-04 ppm1      7.027 ppm2      1.261 CV     1
 ASSI {    1}
   (( segid "PX19" and resid 112  and name HN  ))
   (( segid "PX19" and resid 112  and name HB1 ))
      2.900     1.000     1.000 peak     1 spectrum    4 weight  0.11000E+01 volume  0.30329E-02 ppm1      7.595 ppm2      3.909 CV     1
 ASSI {    1}
   (( segid "PX19" and resid 112  and name HN  ))
   (( segid "PX19" and resid 112  and name HA  ))
      3.100     1.200     1.200 peak     1 spectrum    4 weight  0.11000E+01 volume  0.19432E-02 ppm1      7.595 ppm2      4.228 CV     1
 ASSI {    2}
   (( segid "PX19" and resid 112  and name HN  ))
   (( segid "PX19" and resid 111  and name HA  ))
      3.500     3.500     2.500 peak     2 spectrum    4 weight  0.11000E+01 volume  0.11709E-02 ppm1      7.588 ppm2      4.661 CV     1
 ASSI {    3}
   (( segid "PX19" and resid 111  and name HN  ))
   (( segid "PX19" and resid 111  and name HA  ))
      3.100     3.100     2.900 peak     3 spectrum    4 weight  0.11000E+01 volume  0.17847E-02 ppm1      8.009 ppm2      4.665 CV     1
 ASSI {    4}
   (( segid "PX19" and resid 111  and name HN  ))
   (( segid "PX19" and resid 110  and name HA  ))
      3.600     1.700     1.700 peak     4 spectrum    4 weight  0.11000E+01 volume  0.64193E-03 ppm1      8.015 ppm2      4.282 CV     1
 ASSI {    5}
   (( segid "PX19" and resid 110  and name HN  ))
   (( segid "PX19" and resid 110  and name HA  ))
      4.000     2.000     2.000 peak     5 spectrum    4 weight  0.11000E+01 volume  0.32796E-03 ppm1      8.403 ppm2      4.278 CV     1
 ASSI {    6}
   (( segid "PX19" and resid 105  and name HN  ))
   (( segid "PX19" and resid 104  and name HA  ))
      3.800     1.800     1.800 peak     6 spectrum    4 weight  0.11000E+01 volume  0.55435E-03 ppm1      7.866 ppm2      4.105 CV     1
 ASSI {    7}
   (( segid "PX19" and resid 109  and name HN  ))
   (( segid "PX19" and resid 109  and name HA  ))
      2.500     0.800     0.800 peak     7 spectrum    4 weight  0.11000E+01 volume  0.59475E-02 ppm1      8.038 ppm2      4.176 CV     1
 ASSI {    8}
   (( segid "PX19" and resid 109  and name HN  ))
   (( segid "PX19" and resid 108  and name HA  ))
      2.800     1.000     1.000 peak     8 spectrum    4 weight  0.11000E+01 volume  0.30635E-02 ppm1      8.036 ppm2      4.090 CV     1
 ASSI {    9}
   (( segid "PX19" and resid 108  and name HN  ))
   (( segid "PX19" and resid 108  and name HA  ))
      2.700     0.900     0.900 peak     9 spectrum    4 weight  0.11000E+01 volume  0.34288E-02 ppm1      8.131 ppm2      4.096 CV     1
 ASSI {   11}
   (( segid "PX19" and resid 107  and name HN  ))
   (( segid "PX19" and resid 106  and name HA  ))
      3.400     1.400     1.400 peak    11 spectrum    4 weight  0.11000E+01 volume  0.95614E-03 ppm1      8.166 ppm2      4.250 CV     1
 ASSI {   12}
   (( segid "PX19" and resid 106  and name HN  ))
   (( segid "PX19" and resid 106  and name HA  ))
      3.200     1.300     1.300 peak    12 spectrum    4 weight  0.11000E+01 volume  0.10321E-02 ppm1      8.228 ppm2      4.255 CV     1
 ASSI {   13}
   (( segid "PX19" and resid 106  and name HN  ))
   (( segid "PX19" and resid 105  and name HA  ))
      3.400     1.400     1.400 peak    13 spectrum    4 weight  0.11000E+01 volume  0.99994E-03 ppm1      8.229 ppm2      4.496 CV     1
 ASSI {   14}
   (( segid "PX19" and resid 107  and name HN  ))
   (( segid "PX19" and resid 107  and name HA  ))
      2.300     0.700     0.700 peak    14 spectrum    4 weight  0.11000E+01 volume  0.89622E-02 ppm1      8.165 ppm2      4.105 CV     1
 ASSI {   15}
   (( segid "PX19" and resid 105  and name HN  ))
   (( segid "PX19" and resid 105  and name HA  ))
      3.400     1.500     1.500 peak    15 spectrum    4 weight  0.11000E+01 volume  0.89688E-03 ppm1      7.867 ppm2      4.503 CV     1
 ASSI {   17}
   (( segid "PX19" and resid 104  and name HN  ))
   (( segid "PX19" and resid 103  and name HA  ))
      3.700     1.700     1.700 peak    17 spectrum    4 weight  0.11000E+01 volume  0.61960E-03 ppm1      8.009 ppm2      3.877 CV     1
 ASSI {   18}
   (( segid "PX19" and resid 103  and name HN  ))
   (( segid "PX19" and resid 103  and name HA  ))
      3.500     1.500     1.500 peak    18 spectrum    4 weight  0.11000E+01 volume  0.75446E-03 ppm1      8.415 ppm2      3.880 CV     1
 ASSI {   20}
   (( segid "PX19" and resid 109  and name HN  ))
   (( segid "PX19" and resid 109  and name HB1 ))
      2.500     0.800     0.800 peak    20 spectrum    4 weight  0.11000E+01 volume  0.10964E-01 ppm1      8.036 ppm2      1.516 CV     1
 ASSI {   21}
   (( segid "PX19" and resid 110  and name HN  ))
   (( segid "PX19" and resid 109  and name HB1 ))
      2.900     1.100     1.100 peak    21 spectrum    4 weight  0.11000E+01 volume  0.19924E-02 ppm1      8.405 ppm2      1.509 CV     1
 ASSI {   22}
   (( segid "PX19" and resid 109  and name HN  ))
   (( segid "PX19" and resid 108  and name HB1 ))
      2.900     1.100     1.100 peak    22 spectrum    4 weight  0.11000E+01 volume  0.15779E-02 ppm1      8.038 ppm2      1.997 CV     1
 ASSI {   23}
   (( segid "PX19" and resid 108  and name HN  ))
   (( segid "PX19" and resid 108  and name HB1 ))
      3.100     1.200     1.200 peak    23 spectrum    4 weight  0.11000E+01 volume  0.14954E-02 ppm1      8.129 ppm2      2.011 CV     1
 ASSI {   24}
   (( segid "PX19" and resid 107  and name HN  ))
   (( segid "PX19" and resid 107  and name HB1 ))
      2.800     1.000     1.000 peak    24 spectrum    4 weight  0.11000E+01 volume  0.33721E-02 ppm1      8.167 ppm2      2.139 CV     1
 ASSI {   25}
   (( segid "PX19" and resid 108  and name HN  ))
   (( segid "PX19" and resid 108  and name HG2 ))
      5.900     4.400     0.100 peak    25 spectrum    4 weight  0.11000E+01 volume  0.12250E-03 ppm1      8.129 ppm2      2.203 CV     1
 ASSI {   26}
   (( segid "PX19" and resid 107  and name HN  ))
   (( segid "PX19" and resid 107  and name HG1 ))
      3.600     1.700     1.700 peak    26 spectrum    4 weight  0.11000E+01 volume  0.89484E-03 ppm1      8.167 ppm2      2.425 CV     1
 ASSI {   27}
   (( segid "PX19" and resid 108  and name HN  ))
   (( segid "PX19" and resid 108  and name HG1 ))
      4.000     2.000     2.000 peak    27 spectrum    4 weight  0.11000E+01 volume  0.11135E-02 ppm1      8.129 ppm2      2.350 CV     1
 ASSI {   28}
   (( segid "PX19" and resid 109  and name HN  ))
   (( segid "PX19" and resid 108  and name HG2 ))
      6.000     6.000     0.000 peak    28 spectrum    4 weight  0.11000E+01 volume  0.25194E-04 ppm1      8.031 ppm2      2.197 CV     1
 ASSI {   29}
   (( segid "PX19" and resid 106  and name HN  ))
   (( segid "PX19" and resid 106  and name HB1 ))
      3.100     1.200     1.200 peak    29 spectrum    4 weight  0.11000E+01 volume  0.47086E-02 ppm1      8.229 ppm2      2.808 CV     1
 ASSI {   30}
   (( segid "PX19" and resid 107  and name HN  ))
   (( segid "PX19" and resid 106  and name HB1 ))
      3.400     1.400     1.400 peak    30 spectrum    4 weight  0.11000E+01 volume  0.13246E-02 ppm1      8.165 ppm2      2.805 CV     1
 ASSI {   31}
   (( segid "PX19" and resid 106  and name HN  ))
   (( segid "PX19" and resid 105  and name HB2 ))
      3.700     1.800     1.800 peak    31 spectrum    4 weight  0.11000E+01 volume  0.13605E-02 ppm1      8.230 ppm2      2.980 CV     1
 ASSI {   32}
   (( segid "PX19" and resid 106  and name HN  ))
   (( segid "PX19" and resid 105  and name HB1 ))
      3.500     1.600     1.600 peak    32 spectrum    4 weight  0.11000E+01 volume  0.58191E-03 ppm1      8.230 ppm2      3.110 CV     1
 ASSI {   33}
   (( segid "PX19" and resid 105  and name HN  ))
   (( segid "PX19" and resid 105  and name HB1 ))
      3.100     1.200     1.200 peak    33 spectrum    4 weight  0.11000E+01 volume  0.15728E-02 ppm1      7.866 ppm2      3.114 CV     1
 ASSI {   34}
   (( segid "PX19" and resid 110  and name HN  ))
   (( segid "PX19" and resid 110  and name HB2 ))
      2.500     0.800     0.800 peak    34 spectrum    4 weight  0.11000E+01 volume  0.34114E-02 ppm1      8.405 ppm2      2.940 CV     1
 ASSI {   35}
   (( segid "PX19" and resid 110  and name HN  ))
   (( segid "PX19" and resid 110  and name HB1 ))
      3.100     1.200     1.200 peak    35 spectrum    4 weight  0.11000E+01 volume  0.23006E-02 ppm1      8.407 ppm2      3.189 CV     1
 ASSI {   36}
   (( segid "PX19" and resid 104  and name HN  ))
   (( segid "PX19" and resid 104  and name HB1 ))
      3.000     1.100     1.100 peak    36 spectrum    4 weight  0.11000E+01 volume  0.22309E-02 ppm1      8.008 ppm2      1.727 CV     1
 ASSI {   37}
   (( segid "PX19" and resid 103  and name HN  ))
   (( segid "PX19" and resid 103  and name HB1 ))
      3.100     1.200     1.200 peak    37 spectrum    4 weight  0.11000E+01 volume  0.26245E-02 ppm1      8.413 ppm2      1.902 CV     1
 ASSI {   38}
   (( segid "PX19" and resid 104  and name HN  ))
   (( segid "PX19" and resid 103  and name HB1 ))
      3.400     1.500     1.500 peak    38 spectrum    4 weight  0.11000E+01 volume  0.11633E-02 ppm1      8.008 ppm2      1.899 CV     1
 ASSI {   39}
   (( segid "PX19" and resid 103  and name HN  ))
   (( segid "PX19" and resid 103  and name HG1 ))
      4.100     2.100     1.900 peak    39 spectrum    4 weight  0.11000E+01 volume  0.34845E-03 ppm1      8.410 ppm2      2.259 CV     1
 ASSI {   40}
   (( segid "PX19" and resid 111  and name HN  ))
   (( segid "PX19" and resid 111  and name HB2 ))
      2.900     1.100     1.100 peak    40 spectrum    4 weight  0.11000E+01 volume  0.18564E-02 ppm1      8.008 ppm2      2.584 CV     1
 ASSI {   41}
   (( segid "PX19" and resid 111  and name HN  ))
   (( segid "PX19" and resid 111  and name HB1 ))
      3.600     1.600     1.600 peak    41 spectrum    4 weight  0.11000E+01 volume  0.78522E-03 ppm1      8.010 ppm2      2.824 CV     1
 ASSI {   42}
   (( segid "PX19" and resid 105  and name HN  ))
   (( segid "PX19" and resid 104  and name HB1 ))
      3.200     1.300     1.300 peak    42 spectrum    4 weight  0.11000E+01 volume  0.12012E-02 ppm1      7.871 ppm2      1.723 CV     1
 ASSI {   43}
   (( segid "PX19" and resid 105  and name HN  ))
   (( segid "PX19" and resid 105  and name HB2 ))
      3.300     1.400     1.400 peak    43 spectrum    4 weight  0.11000E+01 volume  0.89586E-03 ppm1      7.864 ppm2      2.987 CV     1
 ASSI {   44}
   (( segid "PX19" and resid 109  and name HN  ))
   (( segid "PX19" and resid 110  and name HB2 ))
      4.500     2.600     1.500 peak    44 spectrum    4 weight  0.11000E+01 volume  0.42812E-03 ppm1      8.036 ppm2      2.940 CV     1
 ASSI {   45}
   (( segid "PX19" and resid 109  and name HN  ))
   (( segid "PX19" and resid 110  and name HB1 ))
      4.500     2.600     1.500 peak    45 spectrum    4 weight  0.11000E+01 volume  0.57752E-03 ppm1      8.031 ppm2      3.184 CV     1
 ASSI {   46}
   (( segid "PX19" and resid 111  and name HN  ))
   (( segid "PX19" and resid 110  and name HB1 ))
      3.600     1.600     1.600 peak    46 spectrum    4 weight  0.11000E+01 volume  0.65064E-03 ppm1      8.008 ppm2      3.186 CV     1
 ASSI {   47}
   (( segid "PX19" and resid 111  and name HN  ))
   (( segid "PX19" and resid 110  and name HB2 ))
      4.400     2.400     1.600 peak    47 spectrum    4 weight  0.11000E+01 volume  0.46101E-03 ppm1      8.007 ppm2      2.942 CV     1
 ASSI {   48}
   (( segid "PX19" and resid 112  and name HN  ))
   (( segid "PX19" and resid 111  and name HB2 ))
      4.800     2.900     1.200 peak    48 spectrum    4 weight  0.11000E+01 volume  0.32614E-03 ppm1      7.590 ppm2      2.589 CV     1
 ASSI {   49}
   (( segid "PX19" and resid 112  and name HN  ))
   (( segid "PX19" and resid 111  and name HB1 ))
      4.200     2.200     1.800 peak    49 spectrum    4 weight  0.11000E+01 volume  0.22913E-03 ppm1      7.590 ppm2      2.821 CV     1
 ASSI {   50}
   (( segid "PX19" and resid 109  and name HN  ))
   (( segid "PX19" and resid 108  and name HG1 ))
      4.500     2.600     1.500 peak    50 spectrum    4 weight  0.11000E+01 volume  0.28250E-03 ppm1      8.039 ppm2      2.348 CV     1
 ASSI {   51}
   (( segid "PX19" and resid 106  and name HN  ))
   (( segid "PX19" and resid 103  and name HA  ))
      3.700     1.700     1.700 peak    51 spectrum    4 weight  0.11000E+01 volume  0.54209E-03 ppm1      8.230 ppm2      3.876 CV     1
 ASSI {   52}
   (( segid "PX19" and resid 109  and name HN  ))
   (( segid "PX19" and resid 105  and name HA  ))
      4.100     2.100     1.900 peak    52 spectrum    4 weight  0.11000E+01 volume  0.32444E-03 ppm1      8.038 ppm2      4.501 CV     1
 ASSI {   53}
   (( segid "PX19" and resid 108  and name HN  ))
   (( segid "PX19" and resid 105  and name HA  ))
      4.000     2.000     2.000 peak    53 spectrum    4 weight  0.11000E+01 volume  0.43996E-03 ppm1      8.129 ppm2      4.501 CV     1
 ASSI {   54}
   (( segid "PX19" and resid 107  and name HN  ))
   (( segid "PX19" and resid 105  and name HA  ))
      4.600     2.700     1.400 peak    54 spectrum    4 weight  0.11000E+01 volume  0.23250E-03 ppm1      8.167 ppm2      4.501 CV     1
 ASSI {   56}
   (( segid "PX19" and resid 104  and name HN  ))
   (( segid "PX19" and resid 104  and name HG2 ))
      4.700     2.700     1.300 peak    56 spectrum    4 weight  0.11000E+01 volume  0.23059E-03 ppm1      8.005 ppm2      1.307 CV     1
 ASSI {   58}
   (( segid "PX19" and resid 106  and name HN  ))
   (( segid "PX19" and resid 103  and name HB1 ))
      3.400     3.400     2.600 peak    58 spectrum    4 weight  0.11000E+01 volume  0.52841E-03 ppm1      8.234 ppm2      1.904 CV     1
 ASSI {   59}
   (( segid "PX19" and resid 106  and name HN  ))
   (( segid "PX19" and resid 107  and name HB1 ))
      4.000     2.000     2.000 peak    59 spectrum    4 weight  0.11000E+01 volume  0.13812E-02 ppm1      8.229 ppm2      2.134 CV     1
 ASSI {   60}
   (( segid "PX19" and resid 106  and name HN  ))
   (( segid "PX19" and resid 103  and name HG1 ))
      3.400     3.400     2.600 peak    60 spectrum    4 weight  0.11000E+01 volume  0.50233E-03 ppm1      8.225 ppm2      2.252 CV     1
 ASSI {   68}
   (( segid "PX19" and resid 106  and name HN  ))
   (  segid "PX19" and resid 106  and name HD% )
      3.700     1.700     1.700 peak    68 spectrum    4 weight  0.11000E+01 volume  0.64621E-03 ppm1      8.228 ppm2      6.954 CV     1
 ASSI {   69}
   (( segid "PX19" and resid 106  and name HN  ))
   (  segid "PX19" and resid 105  and name HD% )
      4.000     2.000     2.000 peak    69 spectrum    4 weight  0.11000E+01 volume  0.47811E-03 ppm1      8.228 ppm2      7.163 CV     1
 ASSI {   70}
   (( segid "PX19" and resid 106  and name HN  ))
   (( segid "PX19" and resid 105  and name HN  ))
      3.400     1.500     1.500 peak    70 spectrum    4 weight  0.11000E+01 volume  0.65772E-03 ppm1      8.229 ppm2      7.874 CV     1
 ASSI {   71}
   (( segid "PX19" and resid 110  and name HN  ))
   (( segid "PX19" and resid 109  and name HN  ))
      2.700     0.900     0.900 peak    71 spectrum    4 weight  0.11000E+01 volume  0.30382E-02 ppm1      8.408 ppm2      8.038 CV     1
 ASSI {   72}
   (( segid "PX19" and resid 106  and name HN  ))
   (( segid "PX19" and resid 109  and name HN  ))
      2.500     2.500     3.500 peak    72 spectrum    4 weight  0.11000E+01 volume  0.62417E-02 ppm1      8.229 ppm2      8.030 CV     1
 ASSI {   73}
   (( segid "PX19" and resid 103  and name HA  ))
   (( segid "PX19" and resid 103  and name HG1 ))
      3.800     1.800     1.800 peak    73 spectrum    4 weight  0.11000E+01 volume  0.56782E-03 ppm1      3.869 ppm2      2.256 CV     1
 ASSI {   74}
   (( segid "PX19" and resid 103  and name HA  ))
   (( segid "PX19" and resid 103  and name HB1 ))
      3.000     1.200     1.200 peak    74 spectrum    4 weight  0.11000E+01 volume  0.17222E-02 ppm1      3.874 ppm2      1.893 CV     1
 ASSI {   75}
   (( segid "PX19" and resid 103  and name HA  ))
   (( segid "PX19" and resid 104  and name HB1 ))
      5.000     3.200     1.000 peak    75 spectrum    4 weight  0.11000E+01 volume  0.20422E-03 ppm1      3.877 ppm2      1.730 CV     1
 ASSI {   76}
   (( segid "PX19" and resid 112  and name HB1 ))
   (( segid "PX19" and resid 112  and name HA  ))
      2.500     0.800     0.800 peak    76 spectrum    4 weight  0.11000E+01 volume  0.72441E-02 ppm1      3.903 ppm2      4.224 CV     1
 ASSI {   78}
   (( segid "PX19" and resid 109  and name HA  ))
   (( segid "PX19" and resid 112  and name HN  ))
      4.200     2.200     1.800 peak    78 spectrum    4 weight  0.11000E+01 volume  0.27731E-03 ppm1      4.170 ppm2      7.592 CV     1
 ASSI {   84}
   (( segid "PX19" and resid 107  and name HA  ))
   (( segid "PX19" and resid 110  and name HN  ))
      3.900     1.900     1.900 peak    84 spectrum    4 weight  0.11000E+01 volume  0.38584E-03 ppm1      4.098 ppm2      8.406 CV     1
 ASSI {   87}
   (( segid "PX19" and resid 107  and name HA  ))
   (( segid "PX19" and resid 110  and name HB2 ))
      3.100     1.200     1.200 peak    87 spectrum    4 weight  0.11000E+01 volume  0.14568E-02 ppm1      4.101 ppm2      2.944 CV     1
 ASSI {   91}
   (( segid "PX19" and resid 106  and name HA  ))
   (( segid "PX19" and resid 109  and name HB1 ))
      3.600     1.700     1.700 peak    91 spectrum    4 weight  0.11000E+01 volume  0.11217E-02 ppm1      4.238 ppm2      1.515 CV     1
 ASSI {   92}
   (( segid "PX19" and resid 107  and name HN  ))
   (( segid "PX19" and resid 104  and name HB1 ))
      5.200     3.400     0.800 peak    92 spectrum    4 weight  0.11000E+01 volume  0.13762E-03 ppm1      8.166 ppm2      1.726 CV     1
 ASSI {   93}
   (( segid "PX19" and resid 104  and name HN  ))
   (( segid "PX19" and resid 103  and name HG1 ))
      5.100     3.300     0.900 peak    93 spectrum    4 weight  0.11000E+01 volume  0.13136E-03 ppm1      8.009 ppm2      2.252 CV     1
 ASSI {   94}
   (( segid "PX19" and resid 104  and name HA  ))
   (( segid "PX19" and resid 104  and name HB1 ))
      2.600     0.900     0.900 peak    94 spectrum    4 weight  0.11000E+01 volume  0.42603E-02 ppm1      4.100 ppm2      1.728 CV     1
 ASSI {   95}
   (( segid "PX19" and resid 107  and name HA  ))
   (( segid "PX19" and resid 107  and name HB1 ))
      2.300     0.600     0.600 peak    95 spectrum    4 weight  0.11000E+01 volume  0.11028E-01 ppm1      4.104 ppm2      2.139 CV     1
 ASSI {   96}
   (( segid "PX19" and resid 107  and name HA  ))
   (( segid "PX19" and resid 107  and name HG1 ))
      3.100     1.200     1.200 peak    96 spectrum    4 weight  0.11000E+01 volume  0.19965E-02 ppm1      4.102 ppm2      2.419 CV     1
 ASSI {  100}
   (  segid "PX19" and resid 109  and name HD1%)
   (( segid "PX19" and resid 106  and name HA  ))
      2.500     2.500     3.500 peak   100 spectrum    4 weight  0.11000E+01 volume  0.27847E-02 ppm1      0.776 ppm2      4.252 CV     1
 ASSI {  102}
   (( segid "PX19" and resid 108  and name HB1 ))
   (( segid "PX19" and resid 108  and name HA  ))
      2.500     0.800     0.800 peak   102 spectrum    4 weight  0.11000E+01 volume  0.87552E-02 ppm1      1.992 ppm2      4.090 CV     1
 ASSI {  103}
   (( segid "PX19" and resid 108  and name HB1 ))
   (( segid "PX19" and resid 105  and name HA  ))
      2.900     1.100     1.100 peak   103 spectrum    4 weight  0.11000E+01 volume  0.17510E-02 ppm1      1.989 ppm2      4.498 CV     1
 ASSI {  104}
   (( segid "PX19" and resid 104  and name HB1 ))
   (( segid "PX19" and resid 105  and name HA  ))
      4.100     2.100     1.900 peak   104 spectrum    4 weight  0.11000E+01 volume  0.32142E-03 ppm1      1.726 ppm2      4.497 CV     1
 ASSI {  105}
   (( segid "PX19" and resid 102  and name HA  ))
   (( segid "PX19" and resid 102  and name HB1 ))
      3.800     1.800     1.800 peak   105 spectrum    4 weight  0.11000E+01 volume  0.48126E-03 ppm1      4.201 ppm2      1.908 CV     1
 ASSI {  106}
   (( segid "PX19" and resid 102  and name HA  ))
   (( segid "PX19" and resid 102  and name HB2 ))
      3.800     1.800     1.800 peak   106 spectrum    4 weight  0.11000E+01 volume  0.45808E-03 ppm1      4.203 ppm2      1.813 CV     1
 ASSI {  107}
   (( segid "PX19" and resid 102  and name HA  ))
   (( segid "PX19" and resid 102  and name HG2 ))
      4.400     2.400     1.600 peak   107 spectrum    4 weight  0.11000E+01 volume  0.22519E-03 ppm1      4.208 ppm2      2.022 CV     1
 ASSI {  108}
   (( segid "PX19" and resid 102  and name HA  ))
   (( segid "PX19" and resid 102  and name HG1 ))
      3.700     1.700     1.700 peak   108 spectrum    4 weight  0.11000E+01 volume  0.71422E-03 ppm1      4.199 ppm2      2.099 CV     1
 ASSI {  109}
   (( segid "PX19" and resid 105  and name HB1 ))
   (( segid "PX19" and resid 102  and name HA  ))
      3.900     1.900     1.900 peak   109 spectrum    4 weight  0.11000E+01 volume  0.39407E-03 ppm1      3.111 ppm2      4.205 CV     1
 ASSI {  110}
   (( segid "PX19" and resid 105  and name HB2 ))
   (( segid "PX19" and resid 102  and name HA  ))
      3.000     1.200     1.200 peak   110 spectrum    4 weight  0.11000E+01 volume  0.20367E-02 ppm1      2.972 ppm2      4.205 CV     1
 ASSI {  112}
   (( segid "PX19" and resid 105  and name HB2 ))
   (( segid "PX19" and resid 105  and name HA  ))
      2.600     0.800     0.800 peak   112 spectrum    4 weight  0.11000E+01 volume  0.40543E-02 ppm1      2.980 ppm2      4.505 CV     1
 ASSI {  113}
   (( segid "PX19" and resid 106  and name HB1 ))
   (( segid "PX19" and resid 106  and name HA  ))
      2.900     1.000     1.000 peak   113 spectrum    4 weight  0.11000E+01 volume  0.17310E-02 ppm1      2.805 ppm2      4.259 CV     1
 ASSI {  114}
   (( segid "PX19" and resid 106  and name HB1 ))
   (( segid "PX19" and resid 103  and name HA  ))
      3.800     1.800     1.800 peak   114 spectrum    4 weight  0.11000E+01 volume  0.16650E-02 ppm1      2.805 ppm2      3.890 CV     1
 ASSI {  116}
   (( segid "PX19" and resid 111  and name HB1 ))
   (( segid "PX19" and resid 108  and name HA  ))
      3.900     1.900     1.900 peak   116 spectrum    4 weight  0.11000E+01 volume  0.74250E-03 ppm1      2.816 ppm2      4.097 CV     1
 ASSI {  117}
   (( segid "PX19" and resid 111  and name HB2 ))
   (( segid "PX19" and resid 108  and name HA  ))
      3.000     1.100     1.100 peak   117 spectrum    4 weight  0.11000E+01 volume  0.15048E-02 ppm1      2.579 ppm2      4.088 CV     1
 ASSI {  120}
   (( segid "PX19" and resid 110  and name HB1 ))
   (( segid "PX19" and resid 107  and name HA  ))
      2.900     1.100     1.100 peak   120 spectrum    4 weight  0.11000E+01 volume  0.22064E-02 ppm1      3.184 ppm2      4.112 CV     1
 ASSI {  121}
   (( segid "PX19" and resid 110  and name HB1 ))
   (( segid "PX19" and resid 110  and name HA  ))
      3.100     1.200     1.200 peak   121 spectrum    4 weight  0.11000E+01 volume  0.19863E-02 ppm1      3.196 ppm2      4.291 CV     1
 ASSI {  122}
   (( segid "PX19" and resid 110  and name HB2 ))
   (( segid "PX19" and resid 110  and name HA  ))
      2.800     1.000     1.000 peak   122 spectrum    4 weight  0.11000E+01 volume  0.21650E-02 ppm1      2.940 ppm2      4.295 CV     1
 ASSI {  124}
   (( segid "PX19" and resid 104  and name HA  ))
   (( segid "PX19" and resid 104  and name HG1 ))
      3.400     1.400     1.400 peak   124 spectrum    4 weight  0.11000E+01 volume  0.90993E-03 ppm1      4.106 ppm2      1.370 CV     1
 ASSI {  125}
   (( segid "PX19" and resid 104  and name HA  ))
   (( segid "PX19" and resid 104  and name HG2 ))
      3.600     1.600     1.600 peak   125 spectrum    4 weight  0.11000E+01 volume  0.73194E-03 ppm1      4.104 ppm2      1.308 CV     1
 ASSI {  129}
   (( segid "PX19" and resid 108  and name HA  ))
   (( segid "PX19" and resid 108  and name HG1 ))
      6.000     4.500     0.000 peak   129 spectrum    4 weight  0.11000E+01 volume  0.00000E+00 ppm1      4.088 ppm2      2.346 CV     1
 ASSI {  130}
   (( segid "PX19" and resid 108  and name HA  ))
   (( segid "PX19" and resid 108  and name HG2 ))
      6.000     4.500     0.000 peak   130 spectrum    4 weight  0.11000E+01 volume  0.00000E+00 ppm1      4.085 ppm2      2.208 CV     1
 ASSI {   25}
   (( segid "PX14" and resid 30   and name HN  ))
   (( segid "PX14" and resid 31   and name HN  ))
      2.500     0.800     0.800 peak    25 spectrum    1 weight  0.11000E+01 volume  0.43977E-02 ppm1      8.138 ppm2      7.812 CV     1
 OR {   25}
   (( segid "PX14" and resid 30   and name HN  ))
   (( segid "PX14" and resid 29   and name HN  ))
 ASSI {   28}
   (( segid "PX14" and resid 31   and name HN  ))
   (( segid "PX14" and resid 32   and name HN  ))
      2.500     0.800     0.800 peak    28 spectrum    1 weight  0.11000E+01 volume  0.48173E-02 ppm1      7.804 ppm2      8.181 CV     1
 OR {   28}
   (( segid "PX14" and resid 31   and name HN  ))
   (( segid "PX14" and resid 30   and name HN  ))
 ASSI {  149}
   (( segid "PX14" and resid 67   and name HN  ))
   (( segid "PX14" and resid 65   and name HN  ))
      4.600     2.700     1.400 peak   149 spectrum    1 weight  0.11000E+01 volume  0.16390E-03 ppm1      9.108 ppm2      8.072 CV     1
 OR {  149}
   (( segid "PX14" and resid 67   and name HN  ))
   (( segid "PX14" and resid 64   and name HN  ))
 ASSI {  162}
   (( segid "PX14" and resid 71   and name HN  ))
   (( segid "PX14" and resid 70   and name HN  ))
      2.500     0.800     0.800 peak   162 spectrum    1 weight  0.11000E+01 volume  0.45179E-02 ppm1      7.627 ppm2      7.958 CV     1
 OR {  162}
   (( segid "PX14" and resid 71   and name HN  ))
   (( segid "PX14" and resid 72   and name HN  ))
 ASSI {  163}
   (( segid "PX14" and resid 71   and name HN  ))
   (( segid "PX14" and resid 68   and name HN  ))
      6.000     5.100     0.000 peak   163 spectrum    1 weight  0.11000E+01 volume  0.18651E-04 ppm1      7.628 ppm2      8.232 CV     1
 OR {  163}
   (( segid "PX14" and resid 71   and name HN  ))
   (( segid "PX14" and resid 73   and name HN  ))
 ASSI {  702}
   (( segid "PX14" and resid 24   and name HA  ))
   (  segid "PX14" and resid 28   and name HD2%)
      5.800     5.800     0.200 peak   702 spectrum    2 weight  0.11000E+01 volume  0.41598E-04 ppm1      4.492 ppm2      0.890 CV     1
 OR {  702}
   (( segid "PX14" and resid 24   and name HA  ))
   (  segid "PX14" and resid 58   and name HD2%)
 ASSI {  704}
   (( segid "PX14" and resid 52   and name HA  ))
   (( segid "PX14" and resid 54   and name HB1 ))
      3.700     3.700     2.300 peak   704 spectrum    2 weight  0.11000E+01 volume  0.10491E-02 ppm1      4.201 ppm2      1.801 CV     1
 OR {  704}
   (( segid "PX14" and resid 52   and name HA  ))
   (( segid "PX14" and resid 50   and name HB2 ))
 ASSI {  790}
   (( segid "PX14" and resid 64   and name HB2 ))
   (( segid "PX14" and resid 64   and name HA  ))
      3.100     3.100     2.900 peak   790 spectrum    2 weight  0.11000E+01 volume  0.16456E-02 ppm1      2.672 ppm2      4.433 CV     1
 OR {  790}
   (( segid "PX14" and resid 38   and name HB2 ))
   (( segid "PX14" and resid 38   and name HA  ))
 ASSI {  891}
   (  segid "PX14" and resid 36   and name HD1%)
   (( segid "PX14" and resid 35   and name HB2 ))
      4.000     4.000     2.000 peak   891 spectrum    2 weight  0.11000E+01 volume  0.58895E-03 ppm1      0.694 ppm2      3.283 CV     1
 OR {  891}
   (  segid "PX14" and resid 36   and name HD1%)
   (( segid "PX14" and resid 49   and name HD1 ))
 ASSI {  894}
   (  segid "PX14" and resid 41   and name HG1%)
   (( segid "PX14" and resid 40   and name HB1 ))
      4.100     4.100     1.900 peak   894 spectrum    2 weight  0.11000E+01 volume  0.58423E-03 ppm1      0.304 ppm2      1.911 CV     1
 OR {  894}
   (  segid "PX14" and resid 41   and name HG1%)
   (( segid "PX14" and resid 42   and name HB1 ))
 ASSI {  928}
   (  segid "PX14" and resid 32   and name HB% )
   (  segid "PX14" and resid 33   and name HG1%)
      3.400     1.500     1.500 peak   928 spectrum    2 weight  0.11000E+01 volume  0.15284E-02 ppm1      1.547 ppm2      1.175 CV     1
 OR {  928}
   (  segid "PX14" and resid 32   and name HB% )
   (( segid "PX14" and resid 58   and name HB2 ))
 ASSI {  950}
   (  segid "PX14" and resid 51   and name HB% )
   (( segid "PX14" and resid 50   and name HB2 ))
      3.600     1.700     1.700 peak   950 spectrum    2 weight  0.11000E+01 volume  0.12604E-02 ppm1      1.591 ppm2      1.817 CV     1
 OR {  950}
   (  segid "PX14" and resid 51   and name HB% )
   (( segid "PX14" and resid 54   and name HB1 ))
 ASSI { 1000}
   (  segid "PX14" and resid 63   and name HG2%)
   (( segid "PX14" and resid 60   and name HB2 ))
      4.000     4.000     2.000 peak  1000 spectrum    2 weight  0.11000E+01 volume  0.43050E-03 ppm1      0.699 ppm2      2.514 CV     1
 OR { 1000}
   (  segid "PX14" and resid 63   and name HG2%)
   (( segid "PX14" and resid 62   and name HB1 ))
 ASSI {  105}
   (  segid "PX14" and resid 52   and name HD% )
   (( segid "PX19" and resid 106  and name HB1 ))
      5.700     4.000     0.300 peak   105 spectrum    3 weight  0.11000E+01 volume  0.58747E-04 ppm1      6.813 ppm2      2.770 CV     1
 OR {  105}
   (  segid "PX14" and resid 52   and name HD% )
   (( segid "PX19" and resid 106  and name HB1 ))
 OR {  105}
   (  segid "PX14" and resid 35   and name HE% )
   (( segid "PX19" and resid 106  and name HB1 ))
 OR {  105}
   (  segid "PX14" and resid 35   and name HE% )
   (( segid "PX19" and resid 106  and name HB1 ))
 ASSI {   83}
   (( segid "PX19" and resid 107  and name HA  ))
   (( segid "PX19" and resid 107  and name HN  ))
      2.500     0.800     0.800 peak    83 spectrum    4 weight  0.11000E+01 volume  0.53037E-02 ppm1      4.102 ppm2      8.167 CV     1
 OR {   83}
   (( segid "PX19" and resid 104  and name HA  ))
   (( segid "PX19" and resid 107  and name HN  ))


assign ( residue   32 and name HN  ) ( residue   28  and name O )  1.80  0.00  0.50
assign ( residue   32 and name N  )  ( residue   28  and name O )  2.80  0.00  0.50

assign ( residue   33 and name HN  ) ( residue   29  and name O )  1.80  0.00  0.50
assign ( residue   33 and name N  )  ( residue   29  and name O )  2.80  0.00  0.50

assign ( residue   34 and name HN  ) ( residue   30  and name O )  1.80  0.00  0.50
assign ( residue   34 and name N  )  ( residue   30  and name O )  2.80  0.00  0.50

assign ( residue   35 and name HN  ) ( residue   31  and name O )  1.80  0.00  0.50
assign ( residue   35 and name N  )  ( residue   31  and name O )  2.80  0.00  0.50

assign ( residue   36 and name HN  ) ( residue   32  and name O )  1.80  0.00  0.50
assign ( residue   36 and name N  )  ( residue   32  and name O )  2.80  0.00  0.50

assign ( residue   37 and name HN  ) ( residue   33  and name O )  1.80  0.00  0.50
assign ( residue   37 and name N  )  ( residue   33  and name O )  2.80  0.00  0.50


assign ( residue   49 and name HN  ) ( residue   45  and name O )  1.80  0.00  0.50
assign ( residue   49 and name N  )  ( residue   45  and name O )  2.80  0.00  0.50

assign ( residue   50 and name HN  ) ( residue   46  and name O )  1.80  0.00  0.50
assign ( residue   50 and name N  )  ( residue   46  and name O )  2.80  0.00  0.50


assign ( residue   52 and name HN  ) ( residue   48  and name O )  1.80  0.00  0.50
assign ( residue   52 and name N  )  ( residue   48  and name O )  2.80  0.00  0.50

assign ( residue   53 and name HN  ) ( residue   49  and name O )  1.80  0.00  0.50
assign ( residue   53 and name N  )  ( residue   49  and name O )  2.80  0.00  0.50

assign ( residue   54 and name HN  ) ( residue   50  and name O )  1.80  0.00  0.50
assign ( residue   54 and name N  )  ( residue   50  and name O )  2.80  0.00  0.50

assign ( residue   55 and name HN  ) ( residue   51  and name O )  1.80  0.00  0.50
assign ( residue   55 and name N  )  ( residue   51  and name O )  2.80  0.00  0.50

assign ( residue   56 and name HN  ) ( residue   52  and name O )  1.80  0.00  0.50
assign ( residue   56 and name N  )  ( residue   52  and name O )  2.80  0.00  0.50




assign ( residue   63 and name HN  ) ( residue   59  and name O )  1.80  0.00  0.50
assign ( residue   63 and name N  )  ( residue   59  and name O )  2.80  0.00  0.50

assign ( residue   64 and name HN  ) ( residue   60  and name O )  1.80  0.00  0.50
assign ( residue   64 and name N  )  ( residue   60  and name O )  2.80  0.00  0.50

assign ( residue   65 and name HN  ) ( residue   61  and name O )  1.80  0.00  0.50
assign ( residue   65 and name N  )  ( residue   61  and name O )  2.80  0.00  0.50

assign ( residue   66 and name HN  ) ( residue   62  and name O )  1.80  0.00  0.50
assign ( residue   66 and name N  )  ( residue   62  and name O )  2.80  0.00  0.50

assign ( residue   67 and name HN  ) ( residue   63  and name O )  1.80  0.00  0.50
assign ( residue   67 and name N  )  ( residue   63  and name O )  2.80  0.00  0.50

assign ( residue   68 and name HN  ) ( residue   64  and name O )  1.80  0.00  0.50
assign ( residue   68 and name N  )  ( residue   64  and name O )  2.80  0.00  0.50

assign ( residue   69 and name HN  ) ( residue   65  and name O )  1.80  0.00  0.50
assign ( residue   69 and name N  )  ( residue   65  and name O )  2.80  0.00  0.50







ASSIGN (resid   15 and name C ) (resid   16 and name N )
       (resid   16 and name CA) (resid   16 and name C )  1.00  -97.22   40.45   2

ASSIGN (resid   19 and name C ) (resid   20 and name N )
       (resid   20 and name CA) (resid   20 and name C )  1.00  -71.29   21.39   2

ASSIGN (resid   22 and name C ) (resid   23 and name N )
       (resid   23 and name CA) (resid   23 and name C )  1.00  -77.19   20.46   2

ASSIGN (resid   24 and name C ) (resid   25 and name N )
       (resid   25 and name CA) (resid   25 and name C )  1.00  -101.97   43.52   2

ASSIGN (resid   25 and name C ) (resid   26 and name N )
       (resid   26 and name CA) (resid   26 and name C )  1.00  -58.20   26.21   2

ASSIGN (resid   26 and name C ) (resid   27 and name N )
       (resid   27 and name CA) (resid   27 and name C )  1.00  -61.09   25.54   2

ASSIGN (resid   27 and name C ) (resid   28 and name N )
       (resid   28 and name CA) (resid   28 and name C )  1.00  -69.35   20.30   2

ASSIGN (resid   28 and name C ) (resid   29 and name N )
       (resid   29 and name CA) (resid   29 and name C )  1.00  -65.22   7.10   2

ASSIGN (resid   29 and name C ) (resid   30 and name N )
       (resid   30 and name CA) (resid   30 and name C )  1.00  -66.18   20.70   2

ASSIGN (resid   30 and name C ) (resid   31 and name N )
       (resid   31 and name CA) (resid   31 and name C )  1.00  -70.38   12.73   2

ASSIGN (resid   31 and name C ) (resid   32 and name N )
       (resid   32 and name CA) (resid   32 and name C )  1.00  -65.36   10.52   2

ASSIGN (resid   32 and name C ) (resid   33 and name N )
       (resid   33 and name CA) (resid   33 and name C )  1.00  -63.65   18.75   2

ASSIGN (resid   33 and name C ) (resid   34 and name N )
       (resid   34 and name CA) (resid   34 and name C )  1.00  -60.43   16.50   2

ASSIGN (resid   34 and name C ) (resid   35 and name N )
       (resid   35 and name CA) (resid   35 and name C )  1.00  -62.63   18.00   2







ASSIGN (resid   44 and name C ) (resid   45 and name N )
       (resid   45 and name CA) (resid   45 and name C )  1.00  -78.56   47.33   2

ASSIGN (resid   45 and name C ) (resid   46 and name N )
       (resid   46 and name CA) (resid   46 and name C )  1.00  -56.72   19.00   2

ASSIGN (resid   46 and name C ) (resid   47 and name N )
       (resid   47 and name CA) (resid   47 and name C )  1.00  -65.22   18.81   2

ASSIGN (resid   47 and name C ) (resid   48 and name N )
       (resid   48 and name CA) (resid   48 and name C )  1.00  -63.15   7.19   2

ASSIGN (resid   48 and name C ) (resid   49 and name N )
       (resid   49 and name CA) (resid   49 and name C )  1.00  -61.60   7.63   2

ASSIGN (resid   49 and name C ) (resid   50 and name N )
       (resid   50 and name CA) (resid   50 and name C )  1.00  -61.15   17.88   2

ASSIGN (resid   50 and name C ) (resid   51 and name N )
       (resid   51 and name CA) (resid   51 and name C )  1.00  -65.16   25.25   2

ASSIGN (resid   51 and name C ) (resid   52 and name N )
       (resid   52 and name CA) (resid   52 and name C )  1.00  -65.00   15.65   2

ASSIGN (resid   52 and name C ) (resid   53 and name N )
       (resid   53 and name CA) (resid   53 and name C )  1.00  -60.27   23.78   2

ASSIGN (resid   53 and name C ) (resid   54 and name N )
       (resid   54 and name CA) (resid   54 and name C )  1.00  -64.59   8.96   2

ASSIGN (resid   54 and name C ) (resid   55 and name N )
       (resid   55 and name CA) (resid   55 and name C )  1.00  -65.22   11.98   2

ASSIGN (resid   58 and name C ) (resid   59 and name N )
       (resid   59 and name CA) (resid   59 and name C )  1.00  -102.77   43.98   2

ASSIGN (resid   59 and name C ) (resid   60 and name N )
       (resid   60 and name CA) (resid   60 and name C )  1.00  -57.51   7.15   2

ASSIGN (resid   60 and name C ) (resid   61 and name N )
       (resid   61 and name CA) (resid   61 and name C )  1.00  -65.44   25.90   2

ASSIGN (resid   61 and name C ) (resid   62 and name N )
       (resid   62 and name CA) (resid   62 and name C )  1.00  -67.89   10.37   2

ASSIGN (resid   62 and name C ) (resid   63 and name N )
       (resid   63 and name CA) (resid   63 and name C )  1.00  -63.22   6.12   2

ASSIGN (resid   63 and name C ) (resid   64 and name N )
       (resid   64 and name CA) (resid   64 and name C )  1.00  -59.89   17.19   2

ASSIGN (resid   64 and name C ) (resid   65 and name N )
       (resid   65 and name CA) (resid   65 and name C )  1.00  -64.43   7.32   2

ASSIGN (resid   65 and name C ) (resid   66 and name N )
       (resid   66 and name CA) (resid   66 and name C )  1.00  -68.52   11.28   2

ASSIGN (resid   66 and name C ) (resid   67 and name N )
       (resid   67 and name CA) (resid   67 and name C )  1.00  -63.94   8.98   2

ASSIGN (resid   67 and name C ) (resid   68 and name N )
       (resid   68 and name CA) (resid   68 and name C )  1.00  -64.25   8.42   2

ASSIGN (resid   68 and name C ) (resid   69 and name N )
       (resid   69 and name CA) (resid   69 and name C )  1.00  -66.20   15.93   2

ASSIGN (resid   69 and name C ) (resid   70 and name N )
       (resid   70 and name CA) (resid   70 and name C )  1.00  -95.82   24.57   2

ASSIGN (resid   75 and name C ) (resid   76 and name N )
       (resid   76 and name CA) (resid   76 and name C )  1.00  -87.41   37.16   2

ASSIGN (resid   78 and name C ) (resid   79 and name N )
       (resid   79 and name CA) (resid   79 and name C )  1.00  -69.36   13.62   2

ASSIGN (resid  101 and name C ) (resid  102 and name N )
       (resid  102 and name CA) (resid  102 and name C )  1.00  -61.02   35.00   2

ASSIGN (resid  102 and name C ) (resid  103 and name N )
       (resid  103 and name CA) (resid  103 and name C )  1.00  -64.32   35.08   2

ASSIGN (resid  103 and name C ) (resid  104 and name N )
       (resid  104 and name CA) (resid  104 and name C )  1.00  -66.36   35.08   2

ASSIGN (resid  104 and name C ) (resid  105 and name N )
       (resid  105 and name CA) (resid  105 and name C )  1.00  -63.30   35.08   2

ASSIGN (resid  105 and name C ) (resid  106 and name N )
       (resid  106 and name CA) (resid  106 and name C )  1.00  -59.69   35.08   2

ASSIGN (resid  106 and name C ) (resid  107 and name N )
       (resid  107 and name CA) (resid  107 and name C )  1.00  -62.36   35.08   2

ASSIGN (resid  107 and name C ) (resid  108 and name N )
       (resid  108 and name CA) (resid  106 and name C )  1.00  -66.29   35.08   2 

ASSIGN (resid  108 and name C ) (resid  109 and name N )
       (resid  109 and name CA) (resid  109 and name C )  1.00  -62.85   35.08   2

ASSIGN (resid  109 and name C ) (resid  110 and name N )
       (resid  110 and name CA) (resid  110 and name C )  1.00  -68.64   35.08   2

ASSIGN (resid  110 and name C ) (resid  111 and name N )
       (resid  111 and name CA) (resid  111 and name C )  1.00  -64.68   35.08   2


ASSIGN (resid   16 and name N ) (resid   16 and name CA )
       (resid   16 and name C) (resid   17 and name N )  1.00   126.45   43.55   2

ASSIGN (resid   20 and name N ) (resid   20 and name CA )
       (resid   20 and name C) (resid   21 and name N )  1.00  -30.79   36.12   2

ASSIGN (resid   23 and name N ) (resid   23 and name CA )
       (resid   23 and name C) (resid   24 and name N )  1.00   141.32   35.04   2

ASSIGN (resid   25 and name N ) (resid   25 and name CA )
       (resid   25 and name C) (resid   26 and name N )  1.00   137.44   55.66   2

ASSIGN (resid   26 and name N ) (resid   26 and name CA )
       (resid   26 and name C) (resid   27 and name N )  1.00  -36.14   16.07   2

ASSIGN (resid   27 and name N ) (resid   27 and name CA )
       (resid   27 and name C) (resid   28 and name N )  1.00  -30.55   13.07   2

ASSIGN (resid   28 and name N ) (resid   28 and name CA )
       (resid   28 and name C) (resid   29 and name N )  1.00  -40.23   17.43   2

ASSIGN (resid   29 and name N ) (resid   29 and name CA )
       (resid   29 and name C) (resid   30 and name N )  1.00  -42.46   25.55   2

ASSIGN (resid   30 and name N ) (resid   30 and name CA )
       (resid   30 and name C) (resid   31 and name N )  1.00  -33.78   20.65   2

ASSIGN (resid   31 and name N ) (resid   31 and name CA )
       (resid   31 and name C) (resid   32 and name N )  1.00  -40.33   22.55   2

ASSIGN (resid   32 and name N ) (resid   32 and name CA )
       (resid   32 and name C) (resid   33 and name N )  1.00  -36.15   24.37   2

ASSIGN (resid   33 and name N ) (resid   33 and name CA )
       (resid   33 and name C) (resid   34 and name N )  1.00  -43.60   14.94   2

ASSIGN (resid   34 and name N ) (resid   34 and name CA )
       (resid   34 and name C) (resid   35 and name N )  1.00  -37.56   14.52   2

ASSIGN (resid   35 and name N ) (resid   35 and name CA )
       (resid   35 and name C) (resid   36 and name N )  1.00  -45.01   19.92   2

ASSIGN (resid   39 and name N ) (resid   39 and name CA )
       (resid   39 and name C) (resid   40 and name N )  1.00  -40.21   26.92   2

ASSIGN (resid   40 and name N ) (resid   40 and name CA )
       (resid   40 and name C) (resid   41 and name N )  1.00  -38.22   27.49   2

ASSIGN (resid   41 and name N ) (resid   41 and name CA )
       (resid   41 and name C) (resid   42 and name N )  1.00  -43.99   24.53   2

ASSIGN (resid   42 and name N ) (resid   42 and name CA )
       (resid   42 and name C) (resid   43 and name N )  1.00  -36.79   27.02   2

ASSIGN (resid   43 and name N ) (resid   43 and name CA )
       (resid   43 and name C) (resid   44 and name N )  1.00  -5.50   30.26   2

ASSIGN (resid   44 and name N ) (resid   44 and name CA )
       (resid   44 and name C) (resid   45 and name N )  1.00   151.40   20.13   2

ASSIGN (resid   45 and name N ) (resid   45 and name CA )
       (resid   45 and name C) (resid   46 and name N )  1.00   138.66   26.14   2

ASSIGN (resid   46 and name N ) (resid   46 and name CA )
       (resid   46 and name C) (resid   47 and name N )  1.00  -39.05   17.64   2

ASSIGN (resid   47 and name N ) (resid   47 and name CA )
       (resid   47 and name C) (resid   48 and name N )  1.00  -38.39   13.47   2

ASSIGN (resid   48 and name N ) (resid   48 and name CA )
       (resid   48 and name C) (resid   49 and name N )  1.00  -43.17   20.06   2

ASSIGN (resid   49 and name N ) (resid   49 and name CA )
       (resid   49 and name C) (resid   50 and name N )  1.00  -44.31   26.57   2

ASSIGN (resid   50 and name N ) (resid   50 and name CA )
       (resid   50 and name C) (resid   51 and name N )  1.00  -41.45   19.27   2

ASSIGN (resid   51 and name N ) (resid   51 and name CA )
       (resid   51 and name C) (resid   52 and name N )  1.00  -38.62   24.75   2

ASSIGN (resid   52 and name N ) (resid   52 and name CA )
       (resid   52 and name C) (resid   53 and name N )  1.00  -46.80   28.50   2

ASSIGN (resid   53 and name N ) (resid   53 and name CA )
       (resid   53 and name C) (resid   54 and name N )  1.00  -38.88   25.54   2

ASSIGN (resid   54 and name N ) (resid   54 and name CA )
       (resid   54 and name C) (resid   55 and name N )  1.00  -39.25   11.43   2

ASSIGN (resid   55 and name N ) (resid   55 and name CA )
       (resid   55 and name C) (resid   56 and name N )  1.00  -35.50   11.29   2

ASSIGN (resid   59 and name N ) (resid   59 and name CA )
       (resid   59 and name C) (resid   60 and name N )  1.00   165.57   11.46   2

ASSIGN (resid   60 and name N ) (resid   60 and name CA )
       (resid   60 and name C) (resid   61 and name N )  1.00  -38.60   19.03   2

ASSIGN (resid   61 and name N ) (resid   61 and name CA )
       (resid   61 and name C) (resid   62 and name N )  1.00  -39.66   27.56   2

ASSIGN (resid   62 and name N ) (resid   62 and name CA )
       (resid   62 and name C) (resid   63 and name N )  1.00  -39.39   11.71   2

ASSIGN (resid   63 and name N ) (resid   63 and name CA )
       (resid   63 and name C) (resid   64 and name N )  1.00  -43.48   17.33   2

ASSIGN (resid   64 and name N ) (resid   64 and name CA )
       (resid   64 and name C) (resid   65 and name N )  1.00  -39.43   27.73   2

ASSIGN (resid   65 and name N ) (resid   65 and name CA )
       (resid   65 and name C) (resid   66 and name N )  1.00  -39.61   18.31   2

ASSIGN (resid   66 and name N ) (resid   66 and name CA )
       (resid   66 and name C) (resid   67 and name N )  1.00  -38.68   18.40   2

ASSIGN (resid   67 and name N ) (resid   67 and name CA )
       (resid   67 and name C) (resid   68 and name N )  1.00  -42.84   13.11   2

ASSIGN (resid   68 and name N ) (resid   68 and name CA )
       (resid   68 and name C) (resid   69 and name N )  1.00  -40.85   18.12   2

ASSIGN (resid   69 and name N ) (resid   69 and name CA )
       (resid   69 and name C) (resid   70 and name N )  1.00  -36.53   20.50   2

ASSIGN (resid   70 and name N ) (resid   70 and name CA )
       (resid   70 and name C) (resid   71 and name N )  1.00  -7.10   23.54   2

ASSIGN (resid   76 and name N ) (resid   76 and name CA )
       (resid   76 and name C) (resid   77 and name N )  1.00   130.52   42.38   2

ASSIGN (resid   79 and name N ) (resid   79 and name CA )
       (resid   79 and name C) (resid   80 and name N )  1.00  -33.22   13.08   2

ASSIGN (resid  102 and name N ) (resid  102 and name CA )
       (resid  102 and name C) (resid  103 and name N )  1.00  -38.93   35.08   2 

ASSIGN (resid  103 and name N ) (resid  103 and name CA )
       (resid  103 and name C) (resid  104 and name N )  1.00  -42.77   35.08   2 

ASSIGN (resid  104 and name N ) (resid  104 and name CA )
       (resid  104 and name C) (resid  105 and name N )  1.00  -42.20   35.08   2 

ASSIGN (resid  105 and name N ) (resid  105 and name CA )
       (resid  105 and name C) (resid  106 and name N )  1.00  -41.09   35.08   2

ASSIGN (resid  106 and name N ) (resid  106 and name CA )
       (resid  106 and name C) (resid  107 and name N )  1.00  -39.32   35.08   2

ASSIGN (resid  107 and name N ) (resid  107 and name CA )
       (resid  107 and name C) (resid  108 and name N )  1.00  -41.52   35.08   2

ASSIGN (resid  108 and name N ) (resid  108 and name CA )
       (resid  108 and name C) (resid  109 and name N )  1.00  -42.64   35.08   2 

ASSIGN (resid  109 and name N ) (resid  109 and name CA )
       (resid  109 and name C) (resid  110 and name N )  1.00  -40.20   35.08   2

ASSIGN (resid  110 and name N ) (resid  110 and name CA )
       (resid  110 and name C) (resid  111 and name N )  1.00  -41.67   35.08   2

ASSIGN (resid  111 and name N ) (resid  111 and name CA )
       (resid  111 and name C) (resid  112 and name N )  1.00  -40.46   35.08   2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY  12           H1       GLY  12 -28.092  11.524  -2.228
    2    H2   GLY  12           H3       GLY  12 -27.107  10.700  -3.337
    3    H3   GLY  12           H2       GLY  12 -28.792  10.516  -3.399
    4    HA2  GLY  12           HA2      GLY  12 -27.753   8.583  -2.406
    5    HA3  GLY  12           HA3      GLY  12 -28.809   9.417  -1.275

  No H/Q in entry =           5
  In of MODEL    1
    1    H    ALA  13           H        ALA  13 -28.003   9.559   0.685
    2    HA   ALA  13           HA       ALA  13 -25.383  10.551   1.196
    3    HB3  ALA  13           HB1      ALA  13 -25.918  10.187   3.543
    4    HB2  ALA  13           HB2      ALA  13 -27.336   9.243   3.086
    5    HB1  ALA  13           HB3      ALA  13 -27.262  10.964   2.707

  No H/Q in entry =           5
  In of MODEL    1
    1    H    MET  14           H        MET  14 -26.773   7.390   0.857
    2    HA   MET  14           HA       MET  14 -24.195   6.185   1.622
    3    HB2  MET  14           HB2      MET  14 -26.990   5.065   1.600
    4    HB3  MET  14           HB3      MET  14 -25.574   4.027   1.666
    5    HE1  MET  14           HE1      MET  14 -25.042   6.117   6.047
    6    HE3  MET  14           HE2      MET  14 -23.580   5.179   6.349
    7    HE2  MET  14           HE3      MET  14 -25.124   4.358   6.128
    8    HG2  MET  14           HG2      MET  14 -26.329   6.137   3.672
    9    HG3  MET  14           HG3      MET  14 -26.485   4.393   3.876

  No H/Q in entry =           9
  In of MODEL    1
    1    H    ALA  15           H        ALA  15 -24.306   7.408  -0.833
    2    HA   ALA  15           HA       ALA  15 -24.914   5.703  -2.990
    3    HB2  ALA  15           HB1      ALA  15 -23.375   7.082  -4.291
    4    HB1  ALA  15           HB2      ALA  15 -22.730   7.783  -2.807
    5    HB3  ALA  15           HB3      ALA  15 -24.403   8.089  -3.272

  No H/Q in entry =           5
  In of MODEL    1
    1    H    THR  16           H        THR  16 -21.917   6.235  -1.188
    2    HA   THR  16           HA       THR  16 -21.141   3.463  -1.829
    3    HB   THR  16           HB       THR  16 -19.293   5.693  -0.932
    4    HG1  THR  16           HG1      THR  16 -20.373   5.383  -3.304
    5   HG23  THR  16          HG21      THR  16 -18.522   3.442  -0.350
    6   HG22  THR  16          HG22      THR  16 -17.513   4.140  -1.617
    7   HG21  THR  16          HG23      THR  16 -18.730   2.931  -2.027

  No H/Q in entry =           7
  In of MODEL    1
    1    HA   PRO  17           HA       PRO  17 -22.537   3.732   2.508
    2    HB2  PRO  17           HB2      PRO  17 -23.685   1.310   2.654
    3    HB3  PRO  17           HB3      PRO  17 -24.452   2.656   1.804
    4    HD2  PRO  17           HD2      PRO  17 -21.883   1.585  -0.905
    5    HD3  PRO  17           HD3      PRO  17 -23.246   2.715  -1.036
    6    HG2  PRO  17           HG2      PRO  17 -22.922   0.340   0.699
    7    HG3  PRO  17           HG3      PRO  17 -24.402   1.099   0.089

  No H/Q in entry =           7
  In of MODEL    1
    1    H    GLY  18           H        GLY  18 -19.881   3.403   2.336
    2    HA3  GLY  18           HA2      GLY  18 -18.281   2.677   3.865
    3    HA2  GLY  18           HA3      GLY  18 -19.412   1.462   4.436

  No H/Q in entry =           3
  In of MODEL    1
    1    H    SER  19           H        SER  19 -19.840  -0.348   2.906
    2    HA   SER  19           HA       SER  19 -19.025  -2.266   2.039
    3    HB2  SER  19           HB2      SER  19 -17.769  -2.024  -0.123
    4    HB3  SER  19           HB3      SER  19 -19.292  -1.145  -0.052
    5    HG   SER  19           HG       SER  19 -17.307   0.438   0.819

  No H/Q in entry =           5
  In of MODEL    1
    1    H    GLU  20           H        GLU  20 -16.639  -3.044   0.889
    2    HA   GLU  20           HA       GLU  20 -14.943  -2.968   3.260
    3    HB2  GLU  20           HB2      GLU  20 -13.766  -4.883   2.305
    4    HB3  GLU  20           HB3      GLU  20 -15.485  -5.190   2.395
    5    HG2  GLU  20           HG2      GLU  20 -13.932  -4.496  -0.079
    6    HG3  GLU  20           HG3      GLU  20 -14.570  -6.067   0.385

  No H/Q in entry =           6
  In of MODEL    1
    1    H    ASN  21           H        ASN  21 -14.922  -2.170  -0.152
    2    HA   ASN  21           HA       ASN  21 -13.696  -0.676  -1.341
    3    HB2  ASN  21           HB2      ASN  21 -13.691   0.884   0.469
    4    HB3  ASN  21           HB3      ASN  21 -12.480  -0.040   1.351
    5   HD21  ASN  21          HD21      ASN  21 -10.352   0.253   0.900
    6   HD22  ASN  21          HD22      ASN  21  -9.755   1.420  -0.227

  No H/Q in entry =           6
  In of MODEL    1
    1    H    VAL  22           H        VAL  22 -12.084  -2.964   0.697
    2    HA   VAL  22           HA       VAL  22  -9.596  -2.931  -0.753
    3    HB   VAL  22           HB       VAL  22 -10.591  -5.084   1.125
    4   HG13  VAL  22          HG11      VAL  22  -8.215  -5.473   1.519
    5   HG12  VAL  22          HG12      VAL  22  -7.808  -4.191   0.378
    6   HG11  VAL  22          HG13      VAL  22  -8.613  -5.655  -0.191
    7   HG21  VAL  22          HG21      VAL  22 -10.785  -2.909   2.221
    8   HG23  VAL  22          HG22      VAL  22  -9.104  -2.554   1.822
    9   HG22  VAL  22          HG23      VAL  22  -9.489  -3.871   2.930

  No H/Q in entry =           9
  In of MODEL    1
    1    H    LEU  23           H        LEU  23 -11.015  -3.139  -2.783
    2    HA   LEU  23           HA       LEU  23 -11.409  -5.954  -3.490
    3    HB2  LEU  23           HB2      LEU  23 -13.054  -3.990  -4.047
    4    HB3  LEU  23           HB3      LEU  23 -11.913  -3.622  -5.322
    5   HD12  LEU  23          HD11      LEU  23 -14.027  -3.954  -6.795
    6   HD11  LEU  23          HD12      LEU  23 -14.942  -4.533  -5.403
    7   HD13  LEU  23          HD13      LEU  23 -14.773  -5.552  -6.833
    8   HD23  LEU  23          HD21      LEU  23 -12.628  -6.568  -7.395
    9   HD22  LEU  23          HD22      LEU  23 -11.236  -6.400  -6.324
   10   HD21  LEU  23          HD23      LEU  23 -11.756  -5.036  -7.315
   11    HG   LEU  23           HG       LEU  23 -13.295  -6.294  -5.042

  No H/Q in entry =          11
  In of MODEL    1
    1    HA   PRO  24           HA       PRO  24  -7.153  -5.811  -4.876
    2    HB2  PRO  24           HB2      PRO  24  -7.258  -8.256  -6.150
    3    HB3  PRO  24           HB3      PRO  24  -6.935  -8.031  -4.433
    4    HD2  PRO  24           HD2      PRO  24 -10.782  -7.561  -4.272
    5    HD3  PRO  24           HD3      PRO  24  -9.481  -7.524  -3.064
    6    HG2  PRO  24           HG2      PRO  24  -9.496  -8.738  -5.802
    7    HG3  PRO  24           HG3      PRO  24  -8.817  -9.377  -4.293

  No H/Q in entry =           7
  In of MODEL    1
    1    H    ARG  25           H        ARG  25  -6.805  -4.406  -6.475
    2    HA   ARG  25           HA       ARG  25  -7.753  -5.043  -9.175
    3    HB2  ARG  25           HB2      ARG  25  -8.147  -2.470  -7.665
    4    HB3  ARG  25           HB3      ARG  25  -8.135  -2.504  -9.422
    5    HD2  ARG  25           HD2      ARG  25 -10.657  -1.760  -7.567
    6    HD3  ARG  25           HD3      ARG  25 -10.318  -1.532  -9.282
    7    HE   ARG  25           HE       ARG  25 -12.259  -3.407  -9.312
    8    HG2  ARG  25           HG2      ARG  25 -10.022  -4.050  -9.411
    9    HG3  ARG  25           HG3      ARG  25 -10.021  -4.037  -7.646
   10   HH11  ARG  25          HH11      ARG  25 -12.007  -0.301  -7.680
   11   HH12  ARG  25          HH12      ARG  25 -13.710   0.029  -7.808
   12   HH21  ARG  25          HH21      ARG  25 -14.495  -2.971  -9.451
   13   HH22  ARG  25          HH22      ARG  25 -15.122  -1.481  -8.802

  No H/Q in entry =          13
  In of MODEL    1
    1    H    GLU  26           H        GLU  26  -6.365  -4.595 -10.761
    2    HA   GLU  26           HA       GLU  26  -3.644  -4.206 -10.224
    3    HB2  GLU  26           HB2      GLU  26  -4.519  -5.358 -12.215
    4    HB3  GLU  26           HB3      GLU  26  -5.107  -3.822 -12.836
    5    HG2  GLU  26           HG2      GLU  26  -2.806  -2.986 -12.921
    6    HG3  GLU  26           HG3      GLU  26  -2.229  -4.546 -12.333

  No H/Q in entry =           6
  In of MODEL    1
    1    HA   PRO  27           HA       PRO  27  -4.486   0.475 -11.757
    2    HB2  PRO  27           HB2      PRO  27  -6.829   1.210 -10.351
    3    HB3  PRO  27           HB3      PRO  27  -6.623   1.134 -12.101
    4    HD2  PRO  27           HD2      PRO  27  -6.891  -2.703 -11.220
    5    HD3  PRO  27           HD3      PRO  27  -6.518  -1.841 -12.729
    6    HG2  PRO  27           HG2      PRO  27  -7.826  -0.825 -10.238
    7    HG3  PRO  27           HG3      PRO  27  -8.227  -0.491 -11.930

  No H/Q in entry =           7
  In of MODEL    1
    1    H    LEU  28           H        LEU  28  -5.443  -1.087  -8.734
    2    HA   LEU  28           HA       LEU  28  -4.574   0.999  -7.006
    3    HB2  LEU  28           HB2      LEU  28  -4.827  -1.964  -6.491
    4    HB3  LEU  28           HB3      LEU  28  -4.558  -0.748  -5.256
    5   HD13  LEU  28          HD11      LEU  28  -8.117  -1.659  -4.930
    6   HD12  LEU  28          HD12      LEU  28  -6.569  -1.604  -4.085
    7   HD11  LEU  28          HD13      LEU  28  -6.824  -2.773  -5.380
    8   HD23  LEU  28          HD21      LEU  28  -6.412   0.857  -4.660
    9   HD22  LEU  28          HD22      LEU  28  -7.941   0.759  -5.535
   10   HD21  LEU  28          HD23      LEU  28  -6.495   1.351  -6.352
   11    HG   LEU  28           HG       LEU  28  -7.016  -0.962  -6.995

  No H/Q in entry =          11
  In of MODEL    1
    1    H    ILE  29           H        ILE  29  -3.082  -1.960  -8.230
    2    HA   ILE  29           HA       ILE  29  -0.641  -1.804  -6.881
    3    HB   ILE  29           HB       ILE  29  -1.083  -2.865  -9.678
    4   HD11  ILE  29          HD11      ILE  29  -0.239  -4.685  -6.514
    5   HD13  ILE  29          HD12      ILE  29  -1.880  -5.280  -6.261
    6   HD12  ILE  29          HD13      ILE  29  -1.510  -3.575  -5.998
    7   HG12  ILE  29          HG12      ILE  29  -2.663  -3.880  -8.099
    8   HG13  ILE  29          HG13      ILE  29  -1.456  -5.051  -8.618
    9   HG23  ILE  29          HG21      ILE  29   1.267  -2.606  -9.140
   10   HG22  ILE  29          HG22      ILE  29   0.838  -4.316  -9.185
   11   HG21  ILE  29          HG23      ILE  29   1.045  -3.499  -7.635

  No H/Q in entry =          11
  In of MODEL    1
    1    H    ALA  30           H        ALA  30  -1.562  -0.591 -10.085
    2    HA   ALA  30           HA       ALA  30   0.865   0.584 -10.796
    3    HB3  ALA  30           HB1      ALA  30  -0.409   1.919 -12.384
    4    HB2  ALA  30           HB2      ALA  30  -1.908   1.509 -11.548
    5    HB1  ALA  30           HB3      ALA  30  -0.982   0.252 -12.369

  No H/Q in entry =           5
  In of MODEL    1
    1    H    THR  31           H        THR  31  -1.925   2.029  -9.133
    2    HA   THR  31           HA       THR  31  -0.808   4.595  -8.791
    3    HB   THR  31           HB       THR  31  -2.851   3.235  -7.026
    4    HG1  THR  31           HG1      THR  31  -3.729   3.195  -9.041
    5   HG21  THR  31          HG21      THR  31  -2.240   6.147  -7.551
    6   HG23  THR  31          HG22      THR  31  -1.997   5.276  -6.037
    7   HG22  THR  31          HG23      THR  31  -3.631   5.557  -6.640

  No H/Q in entry =           7
  In of MODEL    1
    1    H    ALA  32           H        ALA  32  -0.623   1.645  -6.884
    2    HA   ALA  32           HA       ALA  32   0.542   2.810  -4.578
    3    HB3  ALA  32           HB1      ALA  32   0.713  -0.060  -5.482
    4    HB1  ALA  32           HB2      ALA  32  -0.623   0.638  -4.566
    5    HB2  ALA  32           HB3      ALA  32   0.988   0.557  -3.851

  No H/Q in entry =           5
  In of MODEL    1
    1    H    VAL  33           H        VAL  33   1.976   1.005  -7.309
    2    HA   VAL  33           HA       VAL  33   4.635   1.130  -6.444
    3    HB   VAL  33           HB       VAL  33   3.563   1.118  -9.279
    4   HG11  VAL  33          HG11      VAL  33   6.350   0.542  -8.280
    5   HG13  VAL  33          HG12      VAL  33   5.854   1.909  -9.278
    6   HG12  VAL  33          HG13      VAL  33   5.778   0.271  -9.927
    7   HG22  VAL  33          HG21      VAL  33   2.845  -0.817  -8.033
    8   HG21  VAL  33          HG22      VAL  33   4.489  -1.110  -7.469
    9   HG23  VAL  33          HG23      VAL  33   4.097  -1.296  -9.178

  No H/Q in entry =           9
  In of MODEL    1
    1    H    LYS  34           H        LYS  34   2.758   3.407  -8.421
    2    HA   LYS  34           HA       LYS  34   4.733   5.334  -8.869
    3    HB2  LYS  34           HB2      LYS  34   2.631   5.469 -10.035
    4    HB3  LYS  34           HB3      LYS  34   1.739   5.589  -8.528
    5    HD2  LYS  34           HD2      LYS  34   2.516   7.735  -7.010
    6    HD3  LYS  34           HD3      LYS  34   2.165   9.141  -8.023
    7    HE2  LYS  34           HE2      LYS  34   0.436   6.683  -7.770
    8    HE3  LYS  34           HE3      LYS  34   0.146   8.228  -6.968
    9    HG2  LYS  34           HG2      LYS  34   3.737   7.701  -9.167
   10    HG3  LYS  34           HG3      LYS  34   2.199   7.701 -10.026
   11    HZ2  LYS  34           HZ1      LYS  34   0.046   7.631  -9.870
   12    HZ1  LYS  34           HZ2      LYS  34   0.100   9.215  -9.269
   13    HZ3  LYS  34           HZ3      LYS  34  -1.207   8.207  -8.879

  No H/Q in entry =          13
  In of MODEL    1
    1    H    PHE  35           H        PHE  35   2.415   4.991  -6.236
    2    HA   PHE  35           HA       PHE  35   3.068   7.237  -4.731
    3    HB2  PHE  35           HB2      PHE  35   1.105   5.794  -4.349
    4    HB3  PHE  35           HB3      PHE  35   2.169   4.529  -3.739
    5    HD1  PHE  35           HD1      PHE  35   1.148   8.040  -3.155
    6    HD2  PHE  35           HD2      PHE  35   2.748   4.464  -1.509
    7    HE1  PHE  35           HE1      PHE  35   1.022   9.023  -0.927
    8    HE2  PHE  35           HE2      PHE  35   2.622   5.437   0.740
    9    HZ   PHE  35           HZ       PHE  35   1.754   7.720   1.045

  No H/Q in entry =           9
  In of MODEL    1
    1    H    LEU  36           H        LEU  36   4.259   3.918  -4.422
    2    HA   LEU  36           HA       LEU  36   5.918   4.290  -2.216
    3    HB2  LEU  36           HB2      LEU  36   6.380   2.309  -4.441
    4    HB3  LEU  36           HB3      LEU  36   6.888   2.166  -2.769
    5   HD11  LEU  36          HD11      LEU  36   5.802  -0.121  -2.896
    6   HD13  LEU  36          HD12      LEU  36   5.138   0.194  -4.501
    7   HD12  LEU  36          HD13      LEU  36   4.063  -0.228  -3.168
    8   HD21  LEU  36          HD21      LEU  36   5.244   1.565  -1.005
    9   HD23  LEU  36          HD22      LEU  36   3.543   1.367  -1.425
   10   HD22  LEU  36          HD23      LEU  36   4.266   2.976  -1.415
   11    HG   LEU  36           HG       LEU  36   4.014   2.169  -3.689

  No H/Q in entry =          11
  In of MODEL    1
    1    H    GLN  37           H        GLN  37   6.787   4.226  -5.673
    2    HA   GLN  37           HA       GLN  37   9.518   4.970  -4.950
    3    HB2  GLN  37           HB2      GLN  37   8.352   4.123  -7.605
    4    HB3  GLN  37           HB3      GLN  37  10.055   4.446  -7.296
    5   HE21  GLN  37          HE21      GLN  37  11.627   2.012  -7.240
    6   HE22  GLN  37          HE22      GLN  37  11.223   0.962  -8.561
    7    HG2  GLN  37           HG2      GLN  37  10.127   2.617  -5.694
    8    HG3  GLN  37           HG3      GLN  37   8.414   2.300  -5.967

  No H/Q in entry =           8
  In of MODEL    1
    1    H    ASN  38           H        ASN  38   7.049   6.816  -5.063
    2    HA   ASN  38           HA       ASN  38   7.614   8.750  -7.056
    3    HB2  ASN  38           HB2      ASN  38   5.479   8.672  -5.758
    4    HB3  ASN  38           HB3      ASN  38   6.364   9.227  -4.337
    5   HD21  ASN  38          HD21      ASN  38   7.139  11.368  -4.278
    6   HD22  ASN  38          HD22      ASN  38   6.538  12.578  -5.356

  No H/Q in entry =           6
  In of MODEL    1
    1    H    SER  39           H        SER  39   8.450   8.626  -3.594
    2    HA   SER  39           HA       SER  39  11.061   9.615  -4.008
    3    HB2  SER  39           HB2      SER  39  10.688  11.834  -2.815
    4    HB3  SER  39           HB3      SER  39  10.094  11.735  -4.473
    5    HG   SER  39           HG       SER  39   8.587  12.673  -2.935

  No H/Q in entry =           5
  In of MODEL    1
    1    H    ARG  40           H        ARG  40   8.588  10.148  -1.485
    2    HA   ARG  40           HA       ARG  40  10.646   9.621   0.500
    3    HB2  ARG  40           HB2      ARG  40   9.145  11.636   0.545
    4    HB3  ARG  40           HB3      ARG  40   7.815  10.559   0.940
    5    HD2  ARG  40           HD2      ARG  40   7.437  11.727   3.174
    6    HD3  ARG  40           HD3      ARG  40   8.855  12.083   4.163
    7    HE   ARG  40           HE       ARG  40   9.587  13.386   2.051
    8    HG2  ARG  40           HG2      ARG  40   8.962   9.890   2.992
    9    HG3  ARG  40           HG3      ARG  40  10.296  10.976   2.597
   10   HH11  ARG  40          HH11      ARG  40   6.299  13.082   3.219
   11   HH12  ARG  40          HH12      ARG  40   5.780  14.592   2.531
   12   HH21  ARG  40          HH21      ARG  40   8.893  15.382   1.154
   13   HH22  ARG  40          HH22      ARG  40   7.245  15.890   1.380

  No H/Q in entry =          13
  In of MODEL    1
    1    H    VAL  41           H        VAL  41   7.945   7.963  -0.843
    2    HA   VAL  41           HA       VAL  41   7.102   6.598   1.494
    3    HB   VAL  41           HB       VAL  41   6.720   5.727  -1.369
    4   HG12  VAL  41          HG11      VAL  41   5.181   5.060   1.143
    5   HG11  VAL  41          HG12      VAL  41   6.246   3.967   0.261
    6   HG13  VAL  41          HG13      VAL  41   4.759   4.546  -0.490
    7   HG22  VAL  41          HG21      VAL  41   5.937   8.000  -1.033
    8   HG21  VAL  41          HG22      VAL  41   5.021   7.491   0.386
    9   HG23  VAL  41          HG23      VAL  41   4.573   6.897  -1.213

  No H/Q in entry =           9
  In of MODEL    1
    1    H    ARG  42           H        ARG  42   9.487   5.834  -0.985
    2    HA   ARG  42           HA       ARG  42  10.016   3.182  -0.197
    3    HB2  ARG  42           HB2      ARG  42  11.808   5.286  -1.436
    4    HB3  ARG  42           HB3      ARG  42  12.305   3.618  -1.197
    5    HD2  ARG  42           HD2      ARG  42   9.991   2.083  -1.985
    6    HD3  ARG  42           HD3      ARG  42  10.079   2.198  -3.740
    7    HE   ARG  42           HE       ARG  42  12.626   2.039  -2.340
    8    HG2  ARG  42           HG2      ARG  42   9.896   4.407  -2.811
    9    HG3  ARG  42           HG3      ARG  42  11.507   4.201  -3.500
   10   HH11  ARG  42          HH11      ARG  42  10.114   0.362  -4.115
   11   HH12  ARG  42          HH12      ARG  42  11.116  -0.997  -4.504
   12   HH21  ARG  42          HH21      ARG  42  13.939   0.224  -2.812
   13   HH22  ARG  42          HH22      ARG  42  13.277  -1.097  -3.730

  No H/Q in entry =          13
  In of MODEL    1
    1    H    GLN  43           H        GLN  43  10.893   6.251   1.155
    2    HA   GLN  43           HA       GLN  43  12.845   5.067   2.982
    3    HB2  GLN  43           HB2      GLN  43  13.262   7.238   1.732
    4    HB3  GLN  43           HB3      GLN  43  12.017   7.966   2.733
    5   HE21  GLN  43          HE21      GLN  43  14.829   9.058   5.468
    6   HE22  GLN  43          HE22      GLN  43  15.452  10.314   4.454
    7    HG2  GLN  43           HG2      GLN  43  13.328   7.548   4.725
    8    HG3  GLN  43           HG3      GLN  43  14.553   6.715   3.771

  No H/Q in entry =           8
  In of MODEL    1
    1    H    SER  44           H        SER  44   9.584   5.602   2.819
    2    HA   SER  44           HA       SER  44   9.085   6.346   5.552
    3    HB2  SER  44           HB2      SER  44   7.521   6.984   3.744
    4    HB3  SER  44           HB3      SER  44   7.215   5.280   3.414
    5    HG   SER  44           HG       SER  44   6.599   5.284   5.791

  No H/Q in entry =           5
  In of MODEL    1
    1    HA   PRO  45           HA       PRO  45   9.476   2.301   7.360
    2    HB2  PRO  45           HB2      PRO  45   7.330   3.272   9.171
    3    HB3  PRO  45           HB3      PRO  45   8.929   2.634   9.564
    4    HD2  PRO  45           HD2      PRO  45   7.651   5.769   7.653
    5    HD3  PRO  45           HD3      PRO  45   9.390   6.027   7.393
    6    HG2  PRO  45           HG2      PRO  45   8.423   5.239   9.772
    7    HG3  PRO  45           HG3      PRO  45   9.984   4.660   9.162

  No H/Q in entry =           7
  In of MODEL    1
    1    H    LEU  46           H        LEU  46   8.436   0.370   7.271
    2    HA   LEU  46           HA       LEU  46   6.216   0.192   5.512
    3    HB2  LEU  46           HB2      LEU  46   7.700  -1.880   7.113
    4    HB3  LEU  46           HB3      LEU  46   6.340  -2.277   6.073
    5   HD13  LEU  46          HD11      LEU  46   9.905  -1.458   6.135
    6   HD12  LEU  46          HD12      LEU  46  10.093  -2.277   4.584
    7   HD11  LEU  46          HD13      LEU  46   9.366  -3.127   5.948
    8   HD21  LEU  46          HD21      LEU  46   6.519  -2.229   3.681
    9   HD23  LEU  46          HD22      LEU  46   7.384  -3.597   4.385
   10   HD22  LEU  46          HD23      LEU  46   8.138  -2.637   3.112
   11    HG   LEU  46           HG       LEU  46   8.207  -0.705   4.587

  No H/Q in entry =          11
  In of MODEL    1
    1    H    ALA  47           H        ALA  47   6.514   0.356   8.940
    2    HA   ALA  47           HA       ALA  47   4.107  -0.696   9.793
    3    HB1  ALA  47           HB1      ALA  47   5.782   0.252  11.308
    4    HB2  ALA  47           HB2      ALA  47   4.179   0.917  11.617
    5    HB3  ALA  47           HB3      ALA  47   5.377   1.871  10.742

  No H/Q in entry =           5
  In of MODEL    1
    1    H    THR  48           H        THR  48   4.722   2.505   8.365
    2    HA   THR  48           HA       THR  48   1.978   3.251   8.237
    3    HB   THR  48           HB       THR  48   4.336   4.222   6.613
    4    HG1  THR  48           HG1      THR  48   3.981   4.582   9.090
    5   HG22  THR  48          HG21      THR  48   2.913   6.155   6.031
    6   HG21  THR  48          HG22      THR  48   1.552   5.388   6.849
    7   HG23  THR  48          HG23      THR  48   2.244   4.646   5.407

  No H/Q in entry =           7
  In of MODEL    1
    1    H    ARG  49           H        ARG  49   4.254   1.899   5.862
    2    HA   ARG  49           HA       ARG  49   2.551   2.134   3.658
    3    HB2  ARG  49           HB2      ARG  49   4.801   0.147   3.986
    4    HB3  ARG  49           HB3      ARG  49   4.104   0.708   2.473
    5    HD2  ARG  49           HD2      ARG  49   5.838   1.885   1.382
    6    HD3  ARG  49           HD3      ARG  49   7.019   2.810   2.298
    7    HE   ARG  49           HE       ARG  49   6.730  -0.101   2.640
    8    HG2  ARG  49           HG2      ARG  49   4.827   3.053   3.284
    9    HG3  ARG  49           HG3      ARG  49   5.880   2.164   4.384
   10   HH11  ARG  49          HH11      ARG  49   8.698   2.747   2.114
   11   HH12  ARG  49          HH12      ARG  49  10.187   1.854   2.023
   12   HH21  ARG  49          HH21      ARG  49   8.721  -1.275   2.471
   13   HH22  ARG  49          HH22      ARG  49  10.198  -0.401   2.198

  No H/Q in entry =          13
  In of MODEL    1
    1    H    ARG  50           H        ARG  50   2.873  -0.487   5.985
    2    HA   ARG  50           HA       ARG  50   1.462  -2.409   4.457
    3    HB2  ARG  50           HB2      ARG  50   2.509  -2.237   7.180
    4    HB3  ARG  50           HB3      ARG  50   1.040  -3.199   7.037
    5    HD2  ARG  50           HD2      ARG  50   4.714  -4.617   5.870
    6    HD3  ARG  50           HD3      ARG  50   4.502  -2.967   6.457
    7    HE   ARG  50           HE       ARG  50   3.341  -4.426   8.405
    8    HG2  ARG  50           HG2      ARG  50   2.211  -4.886   6.241
    9    HG3  ARG  50           HG3      ARG  50   2.729  -3.889   4.883
   10   HH11  ARG  50          HH11      ARG  50   6.391  -4.755   6.747
   11   HH12  ARG  50          HH12      ARG  50   7.236  -5.405   8.117
   12   HH21  ARG  50          HH21      ARG  50   4.421  -5.335  10.232
   13   HH22  ARG  50          HH22      ARG  50   6.110  -5.750  10.101

  No H/Q in entry =          13
  In of MODEL    1
    1    H    ALA  51           H        ALA  51   0.407  -0.481   7.254
    2    HA   ALA  51           HA       ALA  51  -2.300  -1.187   7.086
    3    HB3  ALA  51           HB1      ALA  51  -2.726   0.797   8.453
    4    HB2  ALA  51           HB2      ALA  51  -1.093   1.376   8.130
    5    HB1  ALA  51           HB3      ALA  51  -1.336  -0.104   9.059

  No H/Q in entry =           5
  In of MODEL    1
    1    H    PHE  52           H        PHE  52  -0.446   1.426   5.647
    2    HA   PHE  52           HA       PHE  52  -2.418   2.985   4.544
    3    HB2  PHE  52           HB2      PHE  52  -0.097   3.629   4.545
    4    HB3  PHE  52           HB3      PHE  52   0.309   2.326   3.435
    5    HD1  PHE  52           HD1      PHE  52   0.414   2.746   1.206
    6    HD2  PHE  52           HD2      PHE  52  -1.882   5.321   3.683
    7    HE1  PHE  52           HE1      PHE  52   0.026   4.228  -0.706
    8    HE2  PHE  52           HE2      PHE  52  -2.283   6.806   1.777
    9    HZ   PHE  52           HZ       PHE  52  -1.297   6.266  -0.423

  No H/Q in entry =           9
  In of MODEL    1
    1    H    LEU  53           H        LEU  53  -0.635   0.499   2.640
    2    HA   LEU  53           HA       LEU  53  -2.338   0.758   0.418
    3    HB2  LEU  53           HB2      LEU  53  -0.374  -1.329   1.259
    4    HB3  LEU  53           HB3      LEU  53  -1.429  -1.642  -0.104
    5   HD12  LEU  53          HD11      LEU  53   1.706   1.199  -0.343
    6   HD11  LEU  53          HD12      LEU  53   1.588   0.060   0.998
    7   HD13  LEU  53          HD13      LEU  53   0.499   1.445   0.919
    8   HD23  LEU  53          HD21      LEU  53   1.473  -0.580  -1.967
    9   HD22  LEU  53          HD22      LEU  53   0.048  -1.619  -1.986
   10   HD21  LEU  53          HD23      LEU  53   1.281  -1.834  -0.743
   11    HG   LEU  53           HG       LEU  53  -0.528   0.550  -1.092

  No H/Q in entry =          11
  In of MODEL    1
    1    H    LYS  54           H        LYS  54  -2.442  -1.444   3.163
    2    HA   LYS  54           HA       LYS  54  -4.471  -3.131   2.184
    3    HB2  LYS  54           HB2      LYS  54  -3.542  -2.476   4.974
    4    HB3  LYS  54           HB3      LYS  54  -4.801  -3.663   4.656
    5    HD2  LYS  54           HD2      LYS  54  -1.963  -3.968   5.936
    6    HD3  LYS  54           HD3      LYS  54  -3.099  -5.313   5.843
    7    HE2  LYS  54           HE2      LYS  54  -0.447  -5.314   4.392
    8    HE3  LYS  54           HE3      LYS  54  -0.634  -5.910   6.045
    9    HG2  LYS  54           HG2      LYS  54  -3.295  -5.039   3.455
   10    HG3  LYS  54           HG3      LYS  54  -2.052  -3.790   3.459
   11    HZ1  LYS  54           HZ1      LYS  54  -2.471  -7.378   5.050
   12    HZ3  LYS  54           HZ2      LYS  54  -0.861  -7.806   4.755
   13    HZ2  LYS  54           HZ3      LYS  54  -1.762  -7.020   3.556

  No H/Q in entry =          13
  In of MODEL    1
    1    H    LYS  55           H        LYS  55  -4.589  -0.110   3.997
    2    HA   LYS  55           HA       LYS  55  -7.445  -0.183   4.329
    3    HB2  LYS  55           HB2      LYS  55  -5.442   2.056   4.710
    4    HB3  LYS  55           HB3      LYS  55  -7.145   2.136   5.162
    5    HD2  LYS  55           HD2      LYS  55  -5.143   1.381   8.274
    6    HD3  LYS  55           HD3      LYS  55  -4.641   2.412   6.933
    7    HE2  LYS  55           HE2      LYS  55  -6.124   3.641   8.391
    8    HE3  LYS  55           HE3      LYS  55  -6.916   3.355   6.843
    9    HG2  LYS  55           HG2      LYS  55  -6.877   0.397   6.782
   10    HG3  LYS  55           HG3      LYS  55  -5.219   0.086   6.245
   11    HZ2  LYS  55           HZ1      LYS  55  -8.359   2.974   8.794
   12    HZ1  LYS  55           HZ2      LYS  55  -7.349   1.698   9.271
   13    HZ3  LYS  55           HZ3      LYS  55  -8.205   1.603   7.806

  No H/Q in entry =          13
  In of MODEL    1
    1    H    LYS  56           H        LYS  56  -5.229   1.040   1.951
    2    HA   LYS  56           HA       LYS  56  -7.001   2.903   0.742
    3    HB2  LYS  56           HB2      LYS  56  -4.542   1.509  -0.305
    4    HB3  LYS  56           HB3      LYS  56  -5.424   2.726  -1.215
    5    HD2  LYS  56           HD2      LYS  56  -4.259   5.606   0.584
    6    HD3  LYS  56           HD3      LYS  56  -5.325   4.998  -0.677
    7    HE2  LYS  56           HE2      LYS  56  -6.902   4.242   1.076
    8    HE3  LYS  56           HE3      LYS  56  -5.840   4.945   2.294
    9    HG2  LYS  56           HG2      LYS  56  -4.249   3.240   1.505
   10    HG3  LYS  56           HG3      LYS  56  -3.370   3.517   0.002
   11    HZ2  LYS  56           HZ1      LYS  56  -7.326   6.383   0.163
   12    HZ1  LYS  56           HZ2      LYS  56  -6.152   7.115   1.142
   13    HZ3  LYS  56           HZ3      LYS  56  -7.570   6.490   1.836

  No H/Q in entry =          13
  In of MODEL    1
    1    H    GLY  57           H        GLY  57  -6.619  -0.534   0.491
    2    HA3  GLY  57           HA2      GLY  57  -8.875  -1.430  -0.339
    3    HA2  GLY  57           HA3      GLY  57  -8.471  -0.550  -1.802

  No H/Q in entry =           3
  In of MODEL    1
    1    H    LEU  58           H        LEU  58  -5.632  -1.696  -0.551
    2    HA   LEU  58           HA       LEU  58  -5.647  -3.899  -2.461
    3    HB2  LEU  58           HB2      LEU  58  -3.422  -2.581  -0.911
    4    HB3  LEU  58           HB3      LEU  58  -3.189  -3.998  -1.916
    5   HD12  LEU  58          HD11      LEU  58  -3.579  -0.134  -3.522
    6   HD11  LEU  58          HD12      LEU  58  -3.039  -0.465  -1.876
    7   HD13  LEU  58          HD13      LEU  58  -4.750  -0.585  -2.284
    8   HD22  LEU  58          HD21      LEU  58  -2.041  -1.836  -4.457
    9   HD21  LEU  58          HD22      LEU  58  -2.095  -3.502  -3.873
   10   HD23  LEU  58          HD23      LEU  58  -1.425  -2.225  -2.849
   11    HG   LEU  58           HG       LEU  58  -4.295  -2.461  -3.751

  No H/Q in entry =          11
  In of MODEL    1
    1    H    THR  59           H        THR  59  -5.896  -5.943  -1.862
    2    HA   THR  59           HA       THR  59  -6.089  -6.693   0.873
    3    HB   THR  59           HB       THR  59  -5.930  -9.076  -0.178
    4    HG1  THR  59           HG1      THR  59  -6.218  -9.158  -2.371
    5   HG23  THR  59          HG21      THR  59  -8.288  -8.988  -0.835
    6   HG22  THR  59          HG22      THR  59  -8.212  -7.226  -0.878
    7   HG21  THR  59          HG23      THR  59  -8.008  -8.080   0.652

  No H/Q in entry =           7
  In of MODEL    1
    1    H    ASP  60           H        ASP  60  -4.762  -8.713   1.570
    2    HA   ASP  60           HA       ASP  60  -2.164  -7.866   2.064
    3    HB2  ASP  60           HB2      ASP  60  -3.010 -10.762   2.099
    4    HB3  ASP  60           HB3      ASP  60  -1.861  -9.940   3.158

  No H/Q in entry =           4
  In of MODEL    1
    1    H    GLU  61           H        GLU  61  -3.355 -10.226  -0.269
    2    HA   GLU  61           HA       GLU  61  -0.974 -11.013  -1.450
    3    HB2  GLU  61           HB2      GLU  61  -2.357 -11.612  -3.389
    4    HB3  GLU  61           HB3      GLU  61  -3.145 -12.071  -1.884
    5    HG2  GLU  61           HG2      GLU  61  -4.333  -9.793  -2.086
    6    HG3  GLU  61           HG3      GLU  61  -3.830  -9.851  -3.773

  No H/Q in entry =           6
  In of MODEL    1
    1    H    GLU  62           H        GLU  62  -2.993  -8.190  -2.105
    2    HA   GLU  62           HA       GLU  62  -1.620  -7.408  -4.468
    3    HB2  GLU  62           HB2      GLU  62  -3.528  -5.895  -2.681
    4    HB3  GLU  62           HB3      GLU  62  -2.935  -5.300  -4.224
    5    HG2  GLU  62           HG2      GLU  62  -4.503  -7.840  -3.867
    6    HG3  GLU  62           HG3      GLU  62  -5.202  -6.287  -4.321

  No H/Q in entry =           6
  In of MODEL    1
    1    H    ILE  63           H        ILE  63  -1.295  -6.612  -1.057
    2    HA   ILE  63           HA       ILE  63   0.258  -4.285  -1.547
    3    HB   ILE  63           HB       ILE  63  -0.941  -4.624   0.595
    4   HD11  ILE  63          HD11      ILE  63  -0.255  -3.087   2.456
    5   HD13  ILE  63          HD12      ILE  63   1.423  -2.556   2.567
    6   HD12  ILE  63          HD13      ILE  63   0.987  -4.203   3.031
    7   HG12  ILE  63          HG12      ILE  63   2.037  -4.200   0.869
    8   HG13  ILE  63          HG13      ILE  63   0.896  -2.994   0.283
    9   HG23  ILE  63          HG21      ILE  63  -0.436  -6.965   1.006
   10   HG22  ILE  63          HG22      ILE  63   0.102  -5.968   2.358
   11   HG21  ILE  63          HG23      ILE  63   1.276  -6.579   1.192

  No H/Q in entry =          11
  In of MODEL    1
    1    H    ASP  64           H        ASP  64   1.111  -7.708  -0.980
    2    HA   ASP  64           HA       ASP  64   3.920  -7.084  -1.129
    3    HB2  ASP  64           HB2      ASP  64   3.127  -9.788  -1.986
    4    HB3  ASP  64           HB3      ASP  64   4.412  -9.283  -0.919

  No H/Q in entry =           4
  In of MODEL    1
    1    H    MET  65           H        MET  65   1.372  -7.803  -3.418
    2    HA   MET  65           HA       MET  65   2.954  -8.314  -5.675
    3    HB2  MET  65           HB2      MET  65   0.239  -7.062  -5.360
    4    HB3  MET  65           HB3      MET  65   0.996  -7.190  -6.938
    5    HE2  MET  65           HE1      MET  65   3.351 -11.322  -6.556
    6    HE1  MET  65           HE2      MET  65   2.201 -11.209  -5.223
    7    HE3  MET  65           HE3      MET  65   3.211  -9.823  -5.637
    8    HG2  MET  65           HG2      MET  65   0.368  -9.500  -5.113
    9    HG3  MET  65           HG3      MET  65  -0.599  -8.996  -6.495

  No H/Q in entry =           9
  In of MODEL    1
    1    H    ALA  66           H        ALA  66   1.672  -5.228  -4.466
    2    HA   ALA  66           HA       ALA  66   2.897  -3.608  -6.410
    3    HB2  ALA  66           HB1      ALA  66   2.404  -1.748  -4.896
    4    HB1  ALA  66           HB2      ALA  66   2.045  -2.894  -3.605
    5    HB3  ALA  66           HB3      ALA  66   1.025  -2.840  -5.044

  No H/Q in entry =           5
  In of MODEL    1
    1    H    PHE  67           H        PHE  67   3.968  -4.628  -3.183
    2    HA   PHE  67           HA       PHE  67   6.364  -3.087  -3.280
    3    HB2  PHE  67           HB2      PHE  67   5.274  -5.158  -1.423
    4    HB3  PHE  67           HB3      PHE  67   6.992  -4.750  -1.336
    5    HD1  PHE  67           HD1      PHE  67   7.046  -1.944  -1.893
    6    HD2  PHE  67           HD2      PHE  67   4.235  -4.146   0.453
    7    HE1  PHE  67           HE1      PHE  67   6.544   0.084  -0.618
    8    HE2  PHE  67           HE2      PHE  67   3.739  -2.099   1.735
    9    HZ   PHE  67           HZ       PHE  67   4.914   0.010   1.207

  No H/Q in entry =           9
  In of MODEL    1
    1    H    GLN  68           H        GLN  68   5.520  -6.310  -4.289
    2    HA   GLN  68           HA       GLN  68   8.175  -7.259  -4.571
    3    HB2  GLN  68           HB2      GLN  68   6.133  -8.711  -4.469
    4    HB3  GLN  68           HB3      GLN  68   5.751  -8.190  -6.105
    5   HE21  GLN  68          HE21      GLN  68   7.836 -11.361  -7.590
    6   HE22  GLN  68          HE22      GLN  68   6.644 -12.505  -7.067
    7    HG2  GLN  68           HG2      GLN  68   7.763  -9.199  -6.952
    8    HG3  GLN  68           HG3      GLN  68   8.292  -9.599  -5.318

  No H/Q in entry =           8
  In of MODEL    1
    1    H    GLN  69           H        GLN  69   5.858  -5.679  -6.706
    2    HA   GLN  69           HA       GLN  69   7.449  -5.808  -9.054
    3    HB2  GLN  69           HB2      GLN  69   5.165  -3.969  -8.325
    4    HB3  GLN  69           HB3      GLN  69   5.887  -4.070  -9.926
    5   HE21  GLN  69          HE21      GLN  69   4.822  -5.745 -11.881
    6   HE22  GLN  69          HE22      GLN  69   5.698  -7.205 -12.195
    7    HG2  GLN  69           HG2      GLN  69   4.414  -6.245  -8.464
    8    HG3  GLN  69           HG3      GLN  69   3.860  -5.346  -9.876

  No H/Q in entry =           8
  In of MODEL    1
    1    H    SER  70           H        SER  70   7.033  -3.370  -6.531
    2    HA   SER  70           HA       SER  70   8.762  -1.494  -7.848
    3    HB2  SER  70           HB2      SER  70   8.590  -0.250  -5.655
    4    HB3  SER  70           HB3      SER  70   7.051  -0.574  -6.453
    5    HG   SER  70           HG       SER  70   6.529  -1.998  -4.934

  No H/Q in entry =           5
  In of MODEL    1
    1    H    GLY  71           H        GLY  71   9.132  -4.082  -5.579
    2    HA3  GLY  71           HA2      GLY  71  11.055  -5.213  -5.025
    3    HA2  GLY  71           HA3      GLY  71  11.952  -4.102  -6.045

  No H/Q in entry =           3
  In of MODEL    1
    1    H    THR  72           H        THR  72  10.246  -4.168  -2.909
    2    HA   THR  72           HA       THR  72  12.133  -2.234  -1.840
    3    HB   THR  72           HB       THR  72  10.829  -2.658   0.317
    4    HG1  THR  72           HG1      THR  72   9.355  -4.170   0.268
    5   HG22  THR  72          HG21      THR  72   8.929  -1.293  -0.420
    6   HG21  THR  72          HG22      THR  72   9.348  -1.622  -2.101
    7   HG23  THR  72          HG23      THR  72  10.450  -0.697  -1.079

  No H/Q in entry =           7
  In of MODEL    1
    1    H    ALA  73           H        ALA  73  11.061  -5.521  -0.994
    2    HA   ALA  73           HA       ALA  73  12.100  -7.282  -0.012
    3    HB2  ALA  73           HB1      ALA  73  14.478  -6.205  -1.511
    4    HB1  ALA  73           HB2      ALA  73  13.211  -7.234  -2.186
    5    HB3  ALA  73           HB3      ALA  73  14.272  -7.854  -0.921

  No H/Q in entry =           5
  In of MODEL    1
    1    H    ALA  74           H        ALA  74  11.795  -6.041   2.035
    2    HA   ALA  74           HA       ALA  74  14.356  -5.839   3.420
    3    HB1  ALA  74           HB1      ALA  74  12.332  -3.599   3.478
    4    HB2  ALA  74           HB2      ALA  74  13.905  -3.549   2.681
    5    HB3  ALA  74           HB3      ALA  74  13.810  -3.689   4.437

  No H/Q in entry =           5
  In of MODEL    1
    1    H    ASP  75           H        ASP  75  11.301  -4.572   4.552
    2    HA   ASP  75           HA       ASP  75  10.948  -6.959   6.243
    3    HB2  ASP  75           HB2      ASP  75  11.536  -4.741   7.417
    4    HB3  ASP  75           HB3      ASP  75   9.937  -4.192   6.929

  No H/Q in entry =           4
  In of MODEL    1
    1    H    GLU  76           H        GLU  76   9.619  -8.020   4.828
    2    HA   GLU  76           HA       GLU  76   8.009  -6.774   2.944
    3    HB2  GLU  76           HB2      GLU  76   7.899  -9.603   3.987
    4    HB3  GLU  76           HB3      GLU  76   7.124  -9.039   2.511
    5    HG2  GLU  76           HG2      GLU  76  10.074  -9.153   3.095
    6    HG3  GLU  76           HG3      GLU  76   9.171 -10.111   1.920

  No H/Q in entry =           6
  In of MODEL    1
    1    HA   PRO  77           HA       PRO  77   4.340  -5.571   4.861
    2    HB2  PRO  77           HB2      PRO  77   2.535  -5.969   2.860
    3    HB3  PRO  77           HB3      PRO  77   3.713  -4.652   2.862
    4    HD2  PRO  77           HD2      PRO  77   6.125  -7.428   1.684
    5    HD3  PRO  77           HD3      PRO  77   6.302  -5.679   1.925
    6    HG2  PRO  77           HG2      PRO  77   3.830  -7.298   1.467
    7    HG3  PRO  77           HG3      PRO  77   4.254  -5.688   0.851

  No H/Q in entry =           7
  In of MODEL    1
    1    H    SER  78           H        SER  78   4.766  -8.789   3.950
    2    HA   SER  78           HA       SER  78   2.284  -9.584   5.309
    3    HB2  SER  78           HB2      SER  78   2.995 -11.849   4.080
    4    HB3  SER  78           HB3      SER  78   2.038 -10.606   3.274
    5    HG   SER  78           HG       SER  78   3.681 -10.077   2.049

  No H/Q in entry =           5
  In of MODEL    1
    1    H    SER  79           H        SER  79   4.448  -8.784   6.811
    2    HA   SER  79           HA       SER  79   6.178 -10.768   7.711
    3    HB2  SER  79           HB2      SER  79   6.238  -8.355   8.368
    4    HB3  SER  79           HB3      SER  79   4.834  -8.634   9.393
    5    HG   SER  79           HG       SER  79   7.094  -8.745  10.319

  No H/Q in entry =           5
  In of MODEL    1
    1    H    LEU  80           H        LEU  80   2.802 -10.173   8.433
    2    HA   LEU  80           HA       LEU  80   2.653 -12.854   9.604
    3    HB2  LEU  80           HB2      LEU  80   2.609 -10.930  11.341
    4    HB3  LEU  80           HB3      LEU  80   1.020 -10.571  10.702
    5   HD12  LEU  80          HD11      LEU  80  -0.213 -13.289  10.416
    6   HD11  LEU  80          HD12      LEU  80  -0.901 -11.924  11.294
    7   HD13  LEU  80          HD13      LEU  80  -0.697 -13.479  12.100
    8   HD23  LEU  80          HD21      LEU  80   2.130 -14.074  10.983
    9   HD22  LEU  80          HD22      LEU  80   1.580 -14.310  12.642
   10   HD21  LEU  80          HD23      LEU  80   2.991 -13.302  12.315
   11    HG   LEU  80           HG       LEU  80   1.033 -11.936  12.802

  No H/Q in entry =          11
  In of MODEL    1
    1    H    TRP  81           H        TRP  81   0.728 -10.064   8.519
    2    HA   TRP  81           HA       TRP  81  -0.506 -11.577   6.443
    3    HB2  TRP  81           HB2      TRP  81  -1.761 -12.244   8.580
    4    HB3  TRP  81           HB3      TRP  81  -2.362 -10.590   8.612
    5    HD1  TRP  81           HD1      TRP  81  -4.689 -10.404   7.610
    6    HE1  TRP  81           HE1      TRP  81  -6.021 -11.611   5.768
    7    HE3  TRP  81           HE3      TRP  81  -1.124 -13.732   6.079
    8    HH2  TRP  81           HH2      TRP  81  -3.868 -15.268   3.194
    9    HZ2  TRP  81           HZ2      TRP  81  -5.608 -13.691   3.904
   10    HZ3  TRP  81           HZ3      TRP  81  -1.670 -15.289   4.259

  No H/Q in entry =          10
  In of MODEL    1
    1    H1   SER 101           H1       SER 101   3.822  18.531   3.650
    2    H2   SER 101           H3       SER 101   2.400  18.638   2.737
    3    H3   SER 101           H2       SER 101   2.688  19.740   3.993
    4    HA   SER 101           HA       SER 101   2.575  17.970   5.612
    5    HB2  SER 101           HB2      SER 101   0.099  17.399   5.170
    6    HB3  SER 101           HB3      SER 101   0.529  19.104   5.304
    7    HG   SER 101           HG       SER 101  -0.376  19.284   3.424

  No H/Q in entry =           7
  In of MODEL    1
    1    H    GLN 102           H        GLN 102   3.146  15.944   5.961
    2    HA   GLN 102           HA       GLN 102   3.574  14.148   3.779
    3    HB2  GLN 102           HB2      GLN 102   5.078  14.185   5.702
    4    HB3  GLN 102           HB3      GLN 102   3.761  13.703   6.763
    5   HE21  GLN 102          HE21      GLN 102   4.924   9.865   6.471
    6   HE22  GLN 102          HE22      GLN 102   6.444  10.101   7.255
    7    HG2  GLN 102           HG2      GLN 102   3.650  11.544   5.788
    8    HG3  GLN 102           HG3      GLN 102   4.723  12.015   4.471

  No H/Q in entry =           8
  In of MODEL    1
    1    H    GLU 103           H        GLU 103   1.119  14.531   6.249
    2    HA   GLU 103           HA       GLU 103  -0.252  12.121   5.901
    3    HB2  GLU 103           HB2      GLU 103  -1.462  14.828   6.497
    4    HB3  GLU 103           HB3      GLU 103  -2.211  13.269   6.802
    5    HG2  GLU 103           HG2      GLU 103  -1.443  13.812   8.883
    6    HG3  GLU 103           HG3      GLU 103  -0.100  12.854   8.263

  No H/Q in entry =           6
  In of MODEL    1
    1    H    LYS 104           H        LYS 104  -0.615  15.216   4.208
    2    HA   LYS 104           HA       LYS 104  -2.682  14.355   2.475
    3    HB2  LYS 104           HB2      LYS 104  -2.169  16.738   2.936
    4    HB3  LYS 104           HB3      LYS 104  -0.656  16.564   2.057
    5    HD2  LYS 104           HD2      LYS 104  -2.458  18.658   1.216
    6    HD3  LYS 104           HD3      LYS 104  -1.062  18.133   0.274
    7    HE2  LYS 104           HE2      LYS 104  -2.651  17.603  -1.598
    8    HE3  LYS 104           HE3      LYS 104  -3.915  18.397  -0.659
    9    HG2  LYS 104           HG2      LYS 104  -2.040  15.908   0.050
   10    HG3  LYS 104           HG3      LYS 104  -3.454  16.430   0.971
   11    HZ3  LYS 104           HZ1      LYS 104  -3.048  19.988  -2.162
   12    HZ2  LYS 104           HZ2      LYS 104  -1.445  19.610  -1.758
   13    HZ1  LYS 104           HZ3      LYS 104  -2.437  20.397  -0.632

  No H/Q in entry =          13
  In of MODEL    1
    1    H    PHE 105           H        PHE 105   0.778  14.066   2.427
    2    HA   PHE 105           HA       PHE 105   1.171  13.498  -0.302
    3    HB2  PHE 105           HB2      PHE 105   2.974  14.008   1.365
    4    HB3  PHE 105           HB3      PHE 105   2.745  12.401   2.044
    5    HD1  PHE 105           HD1      PHE 105   3.671  14.198  -1.062
    6    HD2  PHE 105           HD2      PHE 105   3.873  10.567   1.148
    7    HE1  PHE 105           HE1      PHE 105   5.301  13.309  -2.677
    8    HE2  PHE 105           HE2      PHE 105   5.493   9.669  -0.468
    9    HZ   PHE 105           HZ       PHE 105   6.211  11.041  -2.383

  No H/Q in entry =           9
  In of MODEL    1
    1    H    PHE 106           H        PHE 106   0.077  11.510   2.382
    2    HA   PHE 106           HA       PHE 106   0.248   9.037   0.911
    3    HB2  PHE 106           HB2      PHE 106  -1.274   9.725   3.439
    4    HB3  PHE 106           HB3      PHE 106  -1.096   8.105   2.782
    5    HD1  PHE 106           HD1      PHE 106   0.077  10.294   5.175
    6    HD2  PHE 106           HD2      PHE 106   1.483   7.450   2.341
    7    HE1  PHE 106           HE1      PHE 106   2.128   9.997   6.499
    8    HE2  PHE 106           HE2      PHE 106   3.538   7.150   3.657
    9    HZ   PHE 106           HZ       PHE 106   3.862   8.418   5.742

  No H/Q in entry =           9
  In of MODEL    1
    1    H    GLN 107           H        GLN 107  -1.989  11.623   1.219
    2    HA   GLN 107           HA       GLN 107  -4.277  10.016   0.412
    3    HB2  GLN 107           HB2      GLN 107  -4.032  12.919   1.209
    4    HB3  GLN 107           HB3      GLN 107  -5.545  12.109   0.832
    5   HE21  GLN 107          HE21      GLN 107  -6.042  11.194   4.751
    6   HE22  GLN 107          HE22      GLN 107  -6.314  12.832   5.236
    7    HG2  GLN 107           HG2      GLN 107  -5.315  10.650   2.709
    8    HG3  GLN 107           HG3      GLN 107  -3.686  11.243   3.028

  No H/Q in entry =           8
  In of MODEL    1
    1    H    GLU 108           H        GLU 108  -2.830  13.096  -0.649
    2    HA   GLU 108           HA       GLU 108  -4.365  13.357  -2.982
    3    HB2  GLU 108           HB2      GLU 108  -3.200  15.234  -1.969
    4    HB3  GLU 108           HB3      GLU 108  -1.645  14.483  -2.290
    5    HG2  GLU 108           HG2      GLU 108  -1.940  16.167  -3.910
    6    HG3  GLU 108           HG3      GLU 108  -2.188  14.628  -4.733

  No H/Q in entry =           6
  In of MODEL    1
    1    H    LEU 109           H        LEU 109  -1.137  11.991  -2.485
    2    HA   LEU 109           HA       LEU 109  -0.564  11.708  -5.243
    3    HB2  LEU 109           HB2      LEU 109   1.131  11.841  -3.422
    4    HB3  LEU 109           HB3      LEU 109   0.668  10.225  -2.925
    5   HD12  LEU 109          HD11      LEU 109   2.409  12.171  -5.554
    6   HD11  LEU 109          HD12      LEU 109   1.073  11.419  -6.424
    7   HD13  LEU 109          HD13      LEU 109   2.709  10.787  -6.604
    8   HD21  LEU 109          HD21      LEU 109   3.466  10.919  -3.597
    9   HD23  LEU 109          HD22      LEU 109   3.800   9.616  -4.737
   10   HD22  LEU 109          HD23      LEU 109   2.915   9.281  -3.249
   11    HG   LEU 109           HG       LEU 109   1.392   9.365  -5.135

  No H/Q in entry =          11
  In of MODEL    1
    1    H    PHE 110           H        PHE 110  -2.175   9.638  -2.918
    2    HA   PHE 110           HA       PHE 110  -2.021   7.373  -4.749
    3    HB2  PHE 110           HB2      PHE 110  -1.782   7.271  -2.138
    4    HB3  PHE 110           HB3      PHE 110  -3.545   7.288  -2.169
    5    HD1  PHE 110           HD1      PHE 110  -4.789   5.404  -3.051
    6    HD2  PHE 110           HD2      PHE 110  -0.538   5.420  -3.015
    7    HE1  PHE 110           HE1      PHE 110  -4.781   2.987  -3.525
    8    HE2  PHE 110           HE2      PHE 110  -0.520   3.013  -3.480
    9    HZ   PHE 110           HZ       PHE 110  -2.637   1.793  -3.745

  No H/Q in entry =           9
  In of MODEL    1
    1    H    ASP 111           H        ASP 111  -4.134   9.925  -3.934
    2    HA   ASP 111           HA       ASP 111  -6.639   8.829  -4.545
    3    HB2  ASP 111           HB2      ASP 111  -6.484  11.045  -3.588
    4    HB3  ASP 111           HB3      ASP 111  -5.578  11.631  -4.981

  No H/Q in entry =           4
  In of MODEL    1
    1    H    SER 112           H        SER 112  -4.185  10.278  -6.603
    2    HA   SER 112           HA       SER 112  -5.202   8.778  -8.875
    3    HB2  SER 112           HB2      SER 112  -4.655  11.760  -9.013
    4    HB3  SER 112           HB3      SER 112  -5.116  10.725 -10.365
    5    HG   SER 112           HG       SER 112  -6.685  11.298  -8.054

  No H/Q in entry =           5
  In of MODEL    2
    1    H1   GLY  12           H2       GLY  12 -10.269  -9.191  20.103
    2    H2   GLY  12           H1       GLY  12  -8.963 -10.265  20.261
    3    H3   GLY  12           H3       GLY  12  -9.602  -9.923  18.727
    4    HA2  GLY  12           HA2      GLY  12 -10.948 -11.395  20.923
    5    HA3  GLY  12           HA3      GLY  12 -10.362 -12.072  19.409

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ALA  13           H        ALA  13 -12.488 -12.851  19.008
    2    HA   ALA  13           HA       ALA  13 -14.518 -12.818  18.005
    3    HB2  ALA  13           HB1      ALA  13 -14.868 -10.178  19.421
    4    HB1  ALA  13           HB2      ALA  13 -15.172 -11.764  20.130
    5    HB3  ALA  13           HB3      ALA  13 -16.149 -11.203  18.773

  No H/Q in entry =           5
  In of MODEL    2
    1    H    MET  14           H        MET  14 -12.670 -12.240  16.234
    2    HA   MET  14           HA       MET  14 -14.038 -10.381  14.475
    3    HB2  MET  14           HB2      MET  14 -12.353  -9.028  15.772
    4    HB3  MET  14           HB3      MET  14 -11.092  -9.997  15.024
    5    HE3  MET  14           HE1      MET  14 -14.232  -6.405  11.630
    6    HE2  MET  14           HE2      MET  14 -12.953  -7.519  11.140
    7    HE1  MET  14           HE3      MET  14 -12.588  -6.183  12.229
    8    HG2  MET  14           HG2      MET  14 -11.384  -7.861  13.887
    9    HG3  MET  14           HG3      MET  14 -11.759  -9.218  12.825

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ALA  15           H        ALA  15 -14.119 -12.987  14.125
    2    HA   ALA  15           HA       ALA  15 -12.017 -13.925  12.397
    3    HB1  ALA  15           HB1      ALA  15 -14.795 -15.033  12.800
    4    HB3  ALA  15           HB2      ALA  15 -13.376 -15.468  13.752
    5    HB2  ALA  15           HB3      ALA  15 -13.438 -15.858  12.033

  No H/Q in entry =           5
  In of MODEL    2
    1    H    THR  16           H        THR  16 -15.085 -12.317  12.039
    2    HA   THR  16           HA       THR  16 -15.182 -12.650   9.173
    3    HB   THR  16           HB       THR  16 -16.854 -10.781  10.862
    4    HG1  THR  16           HG1      THR  16 -16.980 -13.583  10.508
    5   HG21  THR  16          HG21      THR  16 -17.377 -12.154   8.222
    6   HG23  THR  16          HG22      THR  16 -17.007 -10.445   8.445
    7   HG22  THR  16          HG23      THR  16 -18.511 -11.110   9.082

  No H/Q in entry =           7
  In of MODEL    2
    1    HA   PRO  17           HA       PRO  17 -12.554  -9.026   8.657
    2    HB2  PRO  17           HB2      PRO  17 -12.774  -9.549   5.804
    3    HB3  PRO  17           HB3      PRO  17 -11.359  -9.684   6.850
    4    HD2  PRO  17           HD2      PRO  17 -14.678 -11.698   6.756
    5    HD3  PRO  17           HD3      PRO  17 -13.817 -12.672   7.969
    6    HG2  PRO  17           HG2      PRO  17 -12.595 -11.837   5.740
    7    HG3  PRO  17           HG3      PRO  17 -11.738 -11.905   7.291

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLY  18           H        GLY  18 -14.559  -7.842   9.336
    2    HA3  GLY  18           HA2      GLY  18 -16.408  -6.971   7.325
    3    HA2  GLY  18           HA3      GLY  18 -16.309  -6.385   8.979

  No H/Q in entry =           3
  In of MODEL    2
    1    H    SER  19           H        SER  19 -14.692  -6.179   5.844
    2    HA   SER  19           HA       SER  19 -14.628  -3.300   6.042
    3    HB2  SER  19           HB2      SER  19 -12.053  -4.892   5.858
    4    HB3  SER  19           HB3      SER  19 -12.177  -3.160   5.550
    5    HG   SER  19           HG       SER  19 -13.304  -3.922   7.928

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLU  20           H        GLU  20 -15.548  -2.808   4.160
    2    HA   GLU  20           HA       GLU  20 -15.301  -4.674   1.932
    3    HB2  GLU  20           HB2      GLU  20 -17.054  -2.231   2.043
    4    HB3  GLU  20           HB3      GLU  20 -17.238  -3.643   1.025
    5    HG2  GLU  20           HG2      GLU  20 -17.715  -3.390   3.937
    6    HG3  GLU  20           HG3      GLU  20 -18.891  -3.750   2.687

  No H/Q in entry =           6
  In of MODEL    2
    1    H    ASN  21           H        ASN  21 -13.751  -1.912   2.927
    2    HA   ASN  21           HA       ASN  21 -13.479  -0.743   0.266
    3    HB2  ASN  21           HB2      ASN  21 -12.392   0.165   2.938
    4    HB3  ASN  21           HB3      ASN  21 -12.200   1.037   1.423
    5   HD21  ASN  21          HD21      ASN  21 -13.495   1.784   3.944
    6   HD22  ASN  21          HD22      ASN  21 -15.111   2.235   3.517

  No H/Q in entry =           6
  In of MODEL    2
    1    H    VAL  22           H        VAL  22 -12.374  -3.361   0.980
    2    HA   VAL  22           HA       VAL  22  -9.486  -2.869   0.759
    3    HB   VAL  22           HB       VAL  22 -10.422  -4.380   2.587
    4   HG13  VAL  22          HG11      VAL  22 -10.983  -6.677   1.966
    5   HG12  VAL  22          HG12      VAL  22 -10.863  -6.247   0.260
    6   HG11  VAL  22          HG13      VAL  22 -12.119  -5.520   1.268
    7   HG22  VAL  22          HG21      VAL  22  -8.627  -6.030   2.380
    8   HG21  VAL  22          HG22      VAL  22  -8.066  -4.409   1.971
    9   HG23  VAL  22          HG23      VAL  22  -8.401  -5.575   0.690

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LEU  23           H        LEU  23 -11.775  -2.842  -1.306
    2    HA   LEU  23           HA       LEU  23 -11.656  -5.028  -3.019
    3    HB2  LEU  23           HB2      LEU  23 -13.388  -3.334  -3.171
    4    HB3  LEU  23           HB3      LEU  23 -12.208  -2.124  -3.633
    5   HD12  LEU  23          HD11      LEU  23 -13.373  -5.120  -6.405
    6   HD11  LEU  23          HD12      LEU  23 -14.125  -5.051  -4.810
    7   HD13  LEU  23          HD13      LEU  23 -12.458  -5.604  -4.977
    8   HD22  LEU  23          HD21      LEU  23 -13.852  -2.744  -6.833
    9   HD21  LEU  23          HD22      LEU  23 -13.331  -1.508  -5.687
   10   HD23  LEU  23          HD23      LEU  23 -14.651  -2.599  -5.268
   11    HG   LEU  23           HG       LEU  23 -11.780  -3.394  -5.728

  No H/Q in entry =          11
  In of MODEL    2
    1    HA   PRO  24           HA       PRO  24  -7.516  -4.147  -4.528
    2    HB2  PRO  24           HB2      PRO  24  -6.775  -6.703  -4.838
    3    HB3  PRO  24           HB3      PRO  24  -6.916  -5.970  -3.242
    4    HD2  PRO  24           HD2      PRO  24 -10.566  -6.709  -4.472
    5    HD3  PRO  24           HD3      PRO  24 -10.267  -6.380  -2.753
    6    HG2  PRO  24           HG2      PRO  24  -8.673  -7.936  -4.576
    7    HG3  PRO  24           HG3      PRO  24  -8.404  -7.651  -2.850

  No H/Q in entry =           7
  In of MODEL    2
    1    H    ARG  25           H        ARG  25  -7.510  -3.334  -6.550
    2    HA   ARG  25           HA       ARG  25  -8.052  -5.196  -8.750
    3    HB2  ARG  25           HB2      ARG  25  -9.015  -2.328  -8.674
    4    HB3  ARG  25           HB3      ARG  25  -9.161  -3.422 -10.043
    5    HD2  ARG  25           HD2      ARG  25 -11.566  -3.567 -10.228
    6    HD3  ARG  25           HD3      ARG  25 -12.556  -3.621  -8.772
    7    HE   ARG  25           HE       ARG  25 -10.963  -1.344  -8.606
    8    HG2  ARG  25           HG2      ARG  25 -10.508  -4.925  -8.513
    9    HG3  ARG  25           HG3      ARG  25 -10.553  -3.566  -7.389
   10   HH11  ARG  25          HH11      ARG  25 -13.549  -2.613 -10.586
   11   HH12  ARG  25          HH12      ARG  25 -14.152  -1.045 -11.035
   12   HH21  ARG  25          HH21      ARG  25 -11.762   0.719  -9.167
   13   HH22  ARG  25          HH22      ARG  25 -13.140   0.846 -10.229

  No H/Q in entry =          13
  In of MODEL    2
    1    H    GLU  26           H        GLU  26  -7.250  -4.221 -10.885
    2    HA   GLU  26           HA       GLU  26  -4.500  -4.045 -10.744
    3    HB2  GLU  26           HB2      GLU  26  -5.907  -4.676 -12.733
    4    HB3  GLU  26           HB3      GLU  26  -6.163  -2.961 -13.015
    5    HG2  GLU  26           HG2      GLU  26  -4.412  -3.807 -14.446
    6    HG3  GLU  26           HG3      GLU  26  -3.757  -2.648 -13.290

  No H/Q in entry =           6
  In of MODEL    2
    1    HA   PRO  27           HA       PRO  27  -4.930   0.838 -11.586
    2    HB2  PRO  27           HB2      PRO  27  -7.111   1.770 -10.088
    3    HB3  PRO  27           HB3      PRO  27  -7.014   1.677 -11.848
    4    HD2  PRO  27           HD2      PRO  27  -7.650  -2.102 -11.092
    5    HD3  PRO  27           HD3      PRO  27  -7.299  -1.177 -12.568
    6    HG2  PRO  27           HG2      PRO  27  -8.258  -0.196  -9.902
    7    HG3  PRO  27           HG3      PRO  27  -8.801   0.261 -11.526

  No H/Q in entry =           7
  In of MODEL    2
    1    H    LEU  28           H        LEU  28  -5.852  -0.864  -8.654
    2    HA   LEU  28           HA       LEU  28  -4.889   1.088  -6.826
    3    HB2  LEU  28           HB2      LEU  28  -5.621  -1.806  -6.619
    4    HB3  LEU  28           HB3      LEU  28  -4.752  -1.047  -5.300
    5   HD13  LEU  28          HD11      LEU  28  -7.451   1.311  -4.387
    6   HD12  LEU  28          HD12      LEU  28  -6.172   1.717  -5.532
    7   HD11  LEU  28          HD13      LEU  28  -5.784   0.840  -4.052
    8   HD22  LEU  28          HD21      LEU  28  -8.722   0.170  -6.209
    9   HD21  LEU  28          HD22      LEU  28  -7.975  -1.149  -7.110
   10   HD23  LEU  28          HD23      LEU  28  -7.451   0.512  -7.384
   11    HG   LEU  28           HG       LEU  28  -7.119  -1.053  -4.825

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ILE  29           H        ILE  29  -3.507  -1.831  -8.242
    2    HA   ILE  29           HA       ILE  29  -1.078  -1.829  -6.845
    3    HB   ILE  29           HB       ILE  29  -1.564  -2.827  -9.660
    4   HD13  ILE  29          HD11      ILE  29  -2.494  -5.187  -6.236
    5   HD12  ILE  29          HD12      ILE  29  -2.018  -3.507  -5.992
    6   HD11  ILE  29          HD13      ILE  29  -0.817  -4.702  -6.478
    7   HG12  ILE  29          HG12      ILE  29  -3.176  -3.803  -8.111
    8   HG13  ILE  29          HG13      ILE  29  -1.995  -5.013  -8.597
    9   HG21  ILE  29          HG21      ILE  29   0.800  -2.663  -9.107
   10   HG23  ILE  29          HG22      ILE  29   0.298  -4.351  -9.205
   11   HG22  ILE  29          HG23      ILE  29   0.534  -3.591  -7.631

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ALA  30           H        ALA  30  -1.899  -0.507 -10.040
    2    HA   ALA  30           HA       ALA  30   0.585   0.546 -10.703
    3    HB2  ALA  30           HB1      ALA  30  -2.131   1.631 -11.427
    4    HB1  ALA  30           HB2      ALA  30  -1.256   0.363 -12.287
    5    HB3  ALA  30           HB3      ALA  30  -0.614   2.006 -12.247

  No H/Q in entry =           5
  In of MODEL    2
    1    H    THR  31           H        THR  31  -2.115   2.123  -9.005
    2    HA   THR  31           HA       THR  31  -0.823   4.614  -8.691
    3    HB   THR  31           HB       THR  31  -2.996   3.459  -6.929
    4    HG1  THR  31           HG1      THR  31  -3.870   3.435  -8.935
    5   HG23  THR  31          HG21      THR  31  -1.944   5.476  -6.015
    6   HG22  THR  31          HG22      THR  31  -3.589   5.817  -6.554
    7   HG21  THR  31          HG23      THR  31  -2.215   6.317  -7.540

  No H/Q in entry =           7
  In of MODEL    2
    1    H    ALA  32           H        ALA  32  -0.940   1.695  -6.710
    2    HA   ALA  32           HA       ALA  32   0.300   2.831  -4.434
    3    HB2  ALA  32           HB1      ALA  32   0.616   0.583  -3.649
    4    HB3  ALA  32           HB2      ALA  32   0.316  -0.065  -5.262
    5    HB1  ALA  32           HB3      ALA  32  -0.987   0.724  -4.372

  No H/Q in entry =           5
  In of MODEL    2
    1    H    VAL  33           H        VAL  33   1.626   0.907  -7.146
    2    HA   VAL  33           HA       VAL  33   4.284   0.870  -6.258
    3    HB   VAL  33           HB       VAL  33   3.273   0.865  -9.114
    4   HG12  VAL  33          HG11      VAL  33   5.961   0.045  -8.014
    5   HG11  VAL  33          HG12      VAL  33   5.642   1.462  -9.015
    6   HG13  VAL  33          HG13      VAL  33   5.425  -0.157  -9.681
    7   HG23  VAL  33          HG21      VAL  33   4.019  -1.401  -7.269
    8   HG22  VAL  33          HG22      VAL  33   3.534  -1.560  -8.958
    9   HG21  VAL  33          HG23      VAL  33   2.384  -0.959  -7.762

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LYS  34           H        LYS  34   2.596   3.229  -8.320
    2    HA   LYS  34           HA       LYS  34   4.703   4.984  -8.811
    3    HB2  LYS  34           HB2      LYS  34   2.607   5.323  -9.927
    4    HB3  LYS  34           HB3      LYS  34   1.751   5.492  -8.403
    5    HD2  LYS  34           HD2      LYS  34   2.627   7.514  -6.872
    6    HD3  LYS  34           HD3      LYS  34   2.486   8.986  -7.842
    7    HE2  LYS  34           HE2      LYS  34   0.465   6.749  -7.800
    8    HE3  LYS  34           HE3      LYS  34   0.332   8.243  -6.871
    9    HG2  LYS  34           HG2      LYS  34   3.905   7.447  -9.023
   10    HG3  LYS  34           HG3      LYS  34   2.379   7.579  -9.894
   11    HZ2  LYS  34           HZ1      LYS  34   0.411   8.018  -9.839
   12    HZ1  LYS  34           HZ2      LYS  34   0.360   9.476  -8.975
   13    HZ3  LYS  34           HZ3      LYS  34  -0.949   8.405  -8.901

  No H/Q in entry =          13
  In of MODEL    2
    1    H    PHE  35           H        PHE  35   2.476   4.808  -6.102
    2    HA   PHE  35           HA       PHE  35   3.394   7.015  -4.648
    3    HB2  PHE  35           HB2      PHE  35   1.264   5.852  -4.242
    4    HB3  PHE  35           HB3      PHE  35   2.153   4.462  -3.626
    5    HD1  PHE  35           HD1      PHE  35   1.308   7.985  -3.019
    6    HD2  PHE  35           HD2      PHE  35   3.006   4.426  -1.424
    7    HE1  PHE  35           HE1      PHE  35   1.293   8.981  -0.783
    8    HE2  PHE  35           HE2      PHE  35   2.999   5.406   0.797
    9    HZ   PHE  35           HZ       PHE  35   2.153   7.702   1.146

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LEU  36           H        LEU  36   4.201   3.579  -4.392
    2    HA   LEU  36           HA       LEU  36   5.828   3.720  -2.140
    3    HB2  LEU  36           HB2      LEU  36   6.079   1.752  -4.409
    4    HB3  LEU  36           HB3      LEU  36   6.592   1.515  -2.748
    5   HD12  LEU  36          HD11      LEU  36   3.509  -0.528  -3.056
    6   HD11  LEU  36          HD12      LEU  36   5.243  -0.604  -2.739
    7   HD13  LEU  36          HD13      LEU  36   4.655  -0.292  -4.374
    8   HD21  LEU  36          HD21      LEU  36   4.071   2.715  -1.432
    9   HD23  LEU  36          HD22      LEU  36   4.848   1.208  -0.943
   10   HD22  LEU  36          HD23      LEU  36   3.141   1.216  -1.387
   11    HG   LEU  36           HG       LEU  36   3.735   1.829  -3.672

  No H/Q in entry =          11
  In of MODEL    2
    1    H    GLN  37           H        GLN  37   6.640   4.135  -5.537
    2    HA   GLN  37           HA       GLN  37   9.464   4.377  -4.824
    3    HB2  GLN  37           HB2      GLN  37   8.063   4.152  -7.478
    4    HB3  GLN  37           HB3      GLN  37   9.790   4.451  -7.318
    5   HE21  GLN  37          HE21      GLN  37  10.517   0.495  -7.388
    6   HE22  GLN  37          HE22      GLN  37  10.027   0.304  -9.033
    7    HG2  GLN  37           HG2      GLN  37  10.126   2.363  -6.232
    8    HG3  GLN  37           HG3      GLN  37   8.386   2.091  -6.112

  No H/Q in entry =           8
  In of MODEL    2
    1    H    ASN  38           H        ASN  38   7.586   6.440  -4.039
    2    HA   ASN  38           HA       ASN  38   8.413   8.655  -5.739
    3    HB2  ASN  38           HB2      ASN  38   6.053   8.462  -4.807
    4    HB3  ASN  38           HB3      ASN  38   6.745   8.875  -3.239
    5   HD21  ASN  38          HD21      ASN  38   5.554  10.785  -3.148
    6   HD22  ASN  38          HD22      ASN  38   5.960  12.163  -4.106

  No H/Q in entry =           6
  In of MODEL    2
    1    H    SER  39           H        SER  39  10.283   7.107  -4.153
    2    HA   SER  39           HA       SER  39  12.250   7.454  -3.117
    3    HB2  SER  39           HB2      SER  39  12.265   9.562  -4.489
    4    HB3  SER  39           HB3      SER  39  11.597  10.406  -3.093
    5    HG   SER  39           HG       SER  39  13.706  10.666  -2.792

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ARG  40           H        ARG  40  10.116   9.931  -1.656
    2    HA   ARG  40           HA       ARG  40  11.203   9.586   0.932
    3    HB2  ARG  40           HB2      ARG  40   8.562  10.812   0.122
    4    HB3  ARG  40           HB3      ARG  40   9.311  10.974   1.702
    5    HD2  ARG  40           HD2      ARG  40   8.513  13.297   0.158
    6    HD3  ARG  40           HD3      ARG  40   9.517  13.470   1.596
    7    HE   ARG  40           HE       ARG  40  10.890  14.399  -0.710
    8    HG2  ARG  40           HG2      ARG  40  11.239  12.098   0.624
    9    HG3  ARG  40           HG3      ARG  40  10.370  12.028  -0.912
   10   HH11  ARG  40          HH11      ARG  40   8.404  15.291   1.598
   11   HH12  ARG  40          HH12      ARG  40   8.547  16.994   1.279
   12   HH21  ARG  40          HH21      ARG  40  11.079  16.640  -1.123
   13   HH22  ARG  40          HH22      ARG  40  10.082  17.762  -0.250

  No H/Q in entry =          13
  In of MODEL    2
    1    H    VAL  41           H        VAL  41   8.755   7.880  -0.784
    2    HA   VAL  41           HA       VAL  41   7.287   6.906   1.436
    3    HB   VAL  41           HB       VAL  41   7.492   5.981  -1.432
    4   HG12  VAL  41          HG11      VAL  41   5.646   4.453  -0.985
    5   HG11  VAL  41          HG12      VAL  41   5.738   4.825   0.736
    6   HG13  VAL  41          HG13      VAL  41   7.078   3.999  -0.060
    7   HG21  VAL  41          HG21      VAL  41   6.297   8.060  -0.968
    8   HG23  VAL  41          HG22      VAL  41   5.299   7.223   0.225
    9   HG22  VAL  41          HG23      VAL  41   5.184   6.790  -1.480

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ARG  42           H        ARG  42  10.165   5.781  -0.213
    2    HA   ARG  42           HA       ARG  42  10.177   3.264   1.181
    3    HB2  ARG  42           HB2      ARG  42  12.223   4.604  -0.578
    4    HB3  ARG  42           HB3      ARG  42  12.446   3.015   0.151
    5    HD2  ARG  42           HD2      ARG  42  11.309   2.124  -3.224
    6    HD3  ARG  42           HD3      ARG  42  12.462   3.403  -2.849
    7    HE   ARG  42           HE       ARG  42  13.079   1.615  -0.976
    8    HG2  ARG  42           HG2      ARG  42  10.381   2.260  -0.996
    9    HG3  ARG  42           HG3      ARG  42  10.310   3.824  -1.808
   10   HH11  ARG  42          HH11      ARG  42  12.527   1.208  -4.416
   11   HH12  ARG  42          HH12      ARG  42  13.536  -0.199  -4.537
   12   HH21  ARG  42          HH21      ARG  42  14.421  -0.216  -1.146
   13   HH22  ARG  42          HH22      ARG  42  14.632  -0.999  -2.688

  No H/Q in entry =          13
  In of MODEL    2
    1    H    GLN  43           H        GLN  43  11.252   6.454   1.772
    2    HA   GLN  43           HA       GLN  43  13.054   5.680   3.918
    3    HB2  GLN  43           HB2      GLN  43  11.979   8.424   3.228
    4    HB3  GLN  43           HB3      GLN  43  13.317   8.067   4.311
    5   HE21  GLN  43          HE21      GLN  43  12.826  10.088   2.988
    6   HE22  GLN  43          HE22      GLN  43  14.107  11.154   2.524
    7    HG2  GLN  43           HG2      GLN  43  14.559   7.127   2.382
    8    HG3  GLN  43           HG3      GLN  43  13.240   7.643   1.333

  No H/Q in entry =           8
  In of MODEL    2
    1    H    SER  44           H        SER  44   9.819   6.891   3.434
    2    HA   SER  44           HA       SER  44   9.099   7.302   6.123
    3    HB2  SER  44           HB2      SER  44   7.821   8.218   4.231
    4    HB3  SER  44           HB3      SER  44   7.374   6.589   3.729
    5    HG   SER  44           HG       SER  44   6.592   8.001   6.060

  No H/Q in entry =           5
  In of MODEL    2
    1    HA   PRO  45           HA       PRO  45   9.222   3.382   8.025
    2    HB2  PRO  45           HB2      PRO  45   6.554   4.242   9.074
    3    HB3  PRO  45           HB3      PRO  45   7.927   3.540   9.938
    4    HD2  PRO  45           HD2      PRO  45   7.440   6.858   7.865
    5    HD3  PRO  45           HD3      PRO  45   9.203   6.855   8.049
    6    HG2  PRO  45           HG2      PRO  45   7.476   6.149  10.044
    7    HG3  PRO  45           HG3      PRO  45   9.129   5.523   9.910

  No H/Q in entry =           7
  In of MODEL    2
    1    H    LEU  46           H        LEU  46   8.833   1.472   7.228
    2    HA   LEU  46           HA       LEU  46   6.814   0.891   5.354
    3    HB2  LEU  46           HB2      LEU  46   8.473  -1.022   7.011
    4    HB3  LEU  46           HB3      LEU  46   7.476  -1.480   5.640
    5   HD12  LEU  46          HD11      LEU  46  10.701   0.003   6.642
    6   HD11  LEU  46          HD12      LEU  46   9.889   1.407   5.950
    7   HD13  LEU  46          HD13      LEU  46  11.150   0.578   5.037
    8   HD22  LEU  46          HD21      LEU  46  10.719  -1.635   4.044
    9   HD21  LEU  46          HD22      LEU  46   9.167  -2.437   4.291
   10   HD23  LEU  46          HD23      LEU  46  10.299  -2.273   5.633
   11    HG   LEU  46           HG       LEU  46   8.930  -0.002   4.201

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ALA  47           H        ALA  47   6.869   0.904   8.786
    2    HA   ALA  47           HA       ALA  47   4.742  -0.752   9.460
    3    HB2  ALA  47           HB1      ALA  47   4.437   0.693  11.403
    4    HB3  ALA  47           HB2      ALA  47   5.429   1.938  10.645
    5    HB1  ALA  47           HB3      ALA  47   6.151   0.397  11.106

  No H/Q in entry =           5
  In of MODEL    2
    1    H    THR  48           H        THR  48   4.716   2.631   8.374
    2    HA   THR  48           HA       THR  48   1.903   2.918   8.298
    3    HB   THR  48           HB       THR  48   3.970   4.359   6.613
    4    HG1  THR  48           HG1      THR  48   2.854   5.038   9.160
    5   HG23  THR  48          HG21      THR  48   1.710   4.666   5.751
    6   HG22  THR  48          HG22      THR  48   2.274   6.154   6.513
    7   HG21  THR  48          HG23      THR  48   1.136   5.108   7.361

  No H/Q in entry =           7
  In of MODEL    2
    1    H    ARG  49           H        ARG  49   4.328   1.827   5.994
    2    HA   ARG  49           HA       ARG  49   2.893   1.943   3.637
    3    HB2  ARG  49           HB2      ARG  49   4.970  -0.071   4.479
    4    HB3  ARG  49           HB3      ARG  49   4.366   0.086   2.840
    5    HD2  ARG  49           HD2      ARG  49   6.085   3.165   2.013
    6    HD3  ARG  49           HD3      ARG  49   4.804   2.060   1.540
    7    HE   ARG  49           HE       ARG  49   3.278   3.427   2.534
    8    HG2  ARG  49           HG2      ARG  49   5.800   2.249   4.370
    9    HG3  ARG  49           HG3      ARG  49   6.538   1.178   3.181
   10   HH11  ARG  49          HH11      ARG  49   6.482   4.330   3.618
   11   HH12  ARG  49          HH12      ARG  49   5.942   5.779   4.415
   12   HH21  ARG  49          HH21      ARG  49   2.576   5.338   3.567
   13   HH22  ARG  49          HH22      ARG  49   3.727   6.341   4.387

  No H/Q in entry =          13
  In of MODEL    2
    1    H    ARG  50           H        ARG  50   3.000  -0.811   5.921
    2    HA   ARG  50           HA       ARG  50   1.538  -2.582   4.318
    3    HB2  ARG  50           HB2      ARG  50   2.027  -2.444   7.264
    4    HB3  ARG  50           HB3      ARG  50   0.873  -3.606   6.630
    5    HD2  ARG  50           HD2      ARG  50   4.372  -2.536   5.599
    6    HD3  ARG  50           HD3      ARG  50   4.293  -2.950   7.311
    7    HE   ARG  50           HE       ARG  50   5.795  -4.316   5.254
    8    HG2  ARG  50           HG2      ARG  50   2.804  -4.843   6.735
    9    HG3  ARG  50           HG3      ARG  50   2.812  -4.298   5.057
   10   HH11  ARG  50          HH11      ARG  50   4.370  -4.578   8.440
   11   HH12  ARG  50          HH12      ARG  50   5.462  -5.819   8.969
   12   HH21  ARG  50          HH21      ARG  50   7.246  -5.954   5.953
   13   HH22  ARG  50          HH22      ARG  50   7.092  -6.591   7.561

  No H/Q in entry =          13
  In of MODEL    2
    1    H    ALA  51           H        ALA  51   0.312  -0.744   7.116
    2    HA   ALA  51           HA       ALA  51  -2.383  -1.402   6.711
    3    HB3  ALA  51           HB1      ALA  51  -2.878   0.419   8.260
    4    HB2  ALA  51           HB2      ALA  51  -1.228   1.018   8.092
    5    HB1  ALA  51           HB3      ALA  51  -1.525  -0.555   8.834

  No H/Q in entry =           5
  In of MODEL    2
    1    H    PHE  52           H        PHE  52  -0.445   1.328   5.619
    2    HA   PHE  52           HA       PHE  52  -2.400   2.995   4.619
    3    HB2  PHE  52           HB2      PHE  52  -0.181   3.787   4.726
    4    HB3  PHE  52           HB3      PHE  52   0.426   2.490   3.702
    5    HD1  PHE  52           HD1      PHE  52   0.710   2.839   1.475
    6    HD2  PHE  52           HD2      PHE  52  -1.908   5.367   3.662
    7    HE1  PHE  52           HE1      PHE  52   0.430   4.254  -0.507
    8    HE2  PHE  52           HE2      PHE  52  -2.200   6.783   1.687
    9    HZ   PHE  52           HZ       PHE  52  -1.001   6.234  -0.393

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LEU  53           H        LEU  53  -0.621   0.533   2.703
    2    HA   LEU  53           HA       LEU  53  -2.090   0.991   0.351
    3    HB2  LEU  53           HB2      LEU  53  -0.370  -1.262   1.298
    4    HB3  LEU  53           HB3      LEU  53  -1.353  -1.495  -0.132
    5   HD11  LEU  53          HD11      LEU  53   0.717   1.418   1.053
    6   HD13  LEU  53          HD12      LEU  53   1.971   1.131  -0.152
    7   HD12  LEU  53          HD13      LEU  53   1.721  -0.029   1.153
    8   HD23  LEU  53          HD21      LEU  53   1.723  -0.667  -1.808
    9   HD22  LEU  53          HD22      LEU  53   0.227  -1.596  -1.900
   10   HD21  LEU  53          HD23      LEU  53   1.369  -1.894  -0.589
   11    HG   LEU  53           HG       LEU  53  -0.229   0.621  -1.049

  No H/Q in entry =          11
  In of MODEL    2
    1    H    LYS  54           H        LYS  54  -2.593  -1.337   2.970
    2    HA   LYS  54           HA       LYS  54  -4.646  -2.782   1.648
    3    HB2  LYS  54           HB2      LYS  54  -4.050  -2.558   4.600
    4    HB3  LYS  54           HB3      LYS  54  -5.055  -3.792   3.845
    5    HD2  LYS  54           HD2      LYS  54  -2.650  -4.506   5.505
    6    HD3  LYS  54           HD3      LYS  54  -3.600  -5.687   4.597
    7    HE2  LYS  54           HE2      LYS  54  -1.588  -6.296   3.323
    8    HE3  LYS  54           HE3      LYS  54  -0.637  -5.158   4.281
    9    HG2  LYS  54           HG2      LYS  54  -3.103  -4.510   2.531
   10    HG3  LYS  54           HG3      LYS  54  -2.115  -3.349   3.407
   11    HZ2  LYS  54           HZ1      LYS  54  -1.956  -7.663   5.167
   12    HZ1  LYS  54           HZ2      LYS  54  -1.433  -6.490   6.270
   13    HZ3  LYS  54           HZ3      LYS  54  -0.314  -7.254   5.247

  No H/Q in entry =          13
  In of MODEL    2
    1    H    LYS  55           H        LYS  55  -4.631   0.052   3.664
    2    HA   LYS  55           HA       LYS  55  -7.466   0.041   4.079
    3    HB2  LYS  55           HB2      LYS  55  -5.330   2.099   4.623
    4    HB3  LYS  55           HB3      LYS  55  -7.035   2.336   5.016
    5    HD2  LYS  55           HD2      LYS  55  -7.994   1.149   7.054
    6    HD3  LYS  55           HD3      LYS  55  -7.919  -0.180   5.898
    7    HE2  LYS  55           HE2      LYS  55  -6.559  -0.224   8.584
    8    HE3  LYS  55           HE3      LYS  55  -8.181  -0.854   8.304
    9    HG2  LYS  55           HG2      LYS  55  -5.405   0.003   6.009
   10    HG3  LYS  55           HG3      LYS  55  -5.639   1.508   6.920
   11    HZ3  LYS  55           HZ1      LYS  55  -6.704  -2.667   8.152
   12    HZ2  LYS  55           HZ2      LYS  55  -5.634  -1.830   7.139
   13    HZ1  LYS  55           HZ3      LYS  55  -7.155  -2.305   6.554

  No H/Q in entry =          13
  In of MODEL    2
    1    H    LYS  56           H        LYS  56  -5.335   1.250   1.646
    2    HA   LYS  56           HA       LYS  56  -7.218   3.102   0.546
    3    HB2  LYS  56           HB2      LYS  56  -4.564   2.095  -0.199
    4    HB3  LYS  56           HB3      LYS  56  -5.606   2.471  -1.563
    5    HD2  LYS  56           HD2      LYS  56  -3.783   3.678   1.248
    6    HD3  LYS  56           HD3      LYS  56  -3.868   5.395   0.860
    7    HE2  LYS  56           HE2      LYS  56  -6.122   3.824   2.100
    8    HE3  LYS  56           HE3      LYS  56  -4.939   4.751   3.021
    9    HG2  LYS  56           HG2      LYS  56  -4.397   4.431  -1.156
   10    HG3  LYS  56           HG3      LYS  56  -5.994   4.726  -0.473
   11    HZ2  LYS  56           HZ1      LYS  56  -6.873   5.820   1.036
   12    HZ1  LYS  56           HZ2      LYS  56  -5.656   6.740   1.778
   13    HZ3  LYS  56           HZ3      LYS  56  -6.896   6.061   2.716

  No H/Q in entry =          13
  In of MODEL    2
    1    H    GLY  57           H        GLY  57  -6.307  -0.262  -0.151
    2    HA3  GLY  57           HA2      GLY  57  -8.670  -1.373  -0.583
    3    HA2  GLY  57           HA3      GLY  57  -8.509  -0.447  -2.064

  No H/Q in entry =           3
  In of MODEL    2
    1    H    LEU  58           H        LEU  58  -6.655  -2.785  -0.100
    2    HA   LEU  58           HA       LEU  58  -6.564  -4.617  -2.262
    3    HB2  LEU  58           HB2      LEU  58  -4.061  -4.693  -2.448
    4    HB3  LEU  58           HB3      LEU  58  -4.834  -3.315  -3.190
    5   HD11  LEU  58          HD11      LEU  58  -2.252  -4.364  -0.948
    6   HD13  LEU  58          HD12      LEU  58  -3.507  -4.070   0.255
    7   HD12  LEU  58          HD13      LEU  58  -2.183  -2.921   0.065
    8   HD21  LEU  58          HD21      LEU  58  -3.336  -1.536  -3.160
    9   HD23  LEU  58          HD22      LEU  58  -2.147  -2.830  -3.013
   10   HD22  LEU  58          HD23      LEU  58  -2.082  -1.446  -1.922
   11    HG   LEU  58           HG       LEU  58  -4.242  -2.102  -0.969

  No H/Q in entry =          11
  In of MODEL    2
    1    H    THR  59           H        THR  59  -5.762  -6.652  -1.660
    2    HA   THR  59           HA       THR  59  -5.775  -7.062   1.211
    3    HB   THR  59           HB       THR  59  -5.757  -9.520   0.506
    4    HG1  THR  59           HG1      THR  59  -6.480  -9.763  -1.738
    5   HG21  THR  59          HG21      THR  59  -7.810  -8.363   1.197
    6   HG23  THR  59          HG22      THR  59  -8.132  -9.510  -0.103
    7   HG22  THR  59          HG23      THR  59  -8.042  -7.784  -0.453

  No H/Q in entry =           7
  In of MODEL    2
    1    H    ASP  60           H        ASP  60  -4.244  -9.062   1.832
    2    HA   ASP  60           HA       ASP  60  -1.659  -8.053   1.927
    3    HB2  ASP  60           HB2      ASP  60  -2.797 -10.775   2.450
    4    HB3  ASP  60           HB3      ASP  60  -1.057 -10.517   2.522

  No H/Q in entry =           4
  In of MODEL    2
    1    H    GLU  61           H        GLU  61  -3.025 -10.406  -0.317
    2    HA   GLU  61           HA       GLU  61  -0.602 -11.109  -1.566
    3    HB2  GLU  61           HB2      GLU  61  -2.054 -11.932  -3.414
    4    HB3  GLU  61           HB3      GLU  61  -2.550 -12.502  -1.826
    5    HG2  GLU  61           HG2      GLU  61  -4.247 -10.670  -1.791
    6    HG3  GLU  61           HG3      GLU  61  -3.824 -10.334  -3.468

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLU  62           H        GLU  62  -2.843  -8.458  -2.083
    2    HA   GLU  62           HA       GLU  62  -1.637  -7.694  -4.575
    3    HB2  GLU  62           HB2      GLU  62  -3.699  -6.338  -2.844
    4    HB3  GLU  62           HB3      GLU  62  -3.152  -5.716  -4.396
    5    HG2  GLU  62           HG2      GLU  62  -4.497  -8.367  -3.936
    6    HG3  GLU  62           HG3      GLU  62  -5.256  -6.922  -4.601

  No H/Q in entry =           6
  In of MODEL    2
    1    H    ILE  63           H        ILE  63  -1.250  -6.793  -1.202
    2    HA   ILE  63           HA       ILE  63   0.144  -4.388  -1.799
    3    HB   ILE  63           HB       ILE  63  -0.821  -4.543   0.372
    4   HD11  ILE  63          HD11      ILE  63   0.173  -3.226   2.333
    5   HD13  ILE  63          HD12      ILE  63   1.923  -3.041   2.425
    6   HD12  ILE  63          HD13      ILE  63   1.182  -4.597   2.795
    7   HG12  ILE  63          HG12      ILE  63   2.195  -4.607   0.591
    8   HG13  ILE  63          HG13      ILE  63   1.230  -3.210   0.127
    9   HG22  ILE  63          HG21      ILE  63  -0.017  -6.082   2.086
   10   HG21  ILE  63          HG22      ILE  63   1.013  -6.866   0.890
   11   HG23  ILE  63          HG23      ILE  63  -0.741  -6.925   0.717

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ASP  64           H        ASP  64   1.270  -7.760  -1.241
    2    HA   ASP  64           HA       ASP  64   3.983  -6.905  -1.731
    3    HB2  ASP  64           HB2      ASP  64   4.625  -9.242  -1.939
    4    HB3  ASP  64           HB3      ASP  64   3.711  -8.974  -0.481

  No H/Q in entry =           4
  In of MODEL    2
    1    H    MET  65           H        MET  65   1.271  -7.711  -3.694
    2    HA   MET  65           HA       MET  65   2.667  -8.206  -6.080
    3    HB2  MET  65           HB2      MET  65   0.190  -8.433  -5.824
    4    HB3  MET  65           HB3      MET  65   0.068  -6.681  -5.793
    5    HE1  MET  65           HE1      MET  65   2.887  -9.153  -7.021
    6    HE3  MET  65           HE2      MET  65   3.271  -8.356  -8.549
    7    HE2  MET  65           HE3      MET  65   3.141 -10.114  -8.481
    8    HG2  MET  65           HG2      MET  65  -0.477  -7.260  -7.974
    9    HG3  MET  65           HG3      MET  65   1.197  -6.720  -8.072

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ALA  66           H        ALA  66   1.604  -5.207  -4.549
    2    HA   ALA  66           HA       ALA  66   2.805  -3.506  -6.499
    3    HB3  ALA  66           HB1      ALA  66   0.880  -2.803  -5.155
    4    HB2  ALA  66           HB2      ALA  66   2.241  -1.694  -4.979
    5    HB1  ALA  66           HB3      ALA  66   1.882  -2.857  -3.702

  No H/Q in entry =           5
  In of MODEL    2
    1    H    PHE  67           H        PHE  67   3.754  -4.541  -3.217
    2    HA   PHE  67           HA       PHE  67   6.085  -2.913  -3.191
    3    HB2  PHE  67           HB2      PHE  67   4.882  -4.901  -1.374
    4    HB3  PHE  67           HB3      PHE  67   6.633  -4.737  -1.263
    5    HD1  PHE  67           HD1      PHE  67   6.913  -1.867  -1.894
    6    HD2  PHE  67           HD2      PHE  67   4.143  -3.879   0.643
    7    HE1  PHE  67           HE1      PHE  67   6.657   0.172  -0.575
    8    HE2  PHE  67           HE2      PHE  67   3.881  -1.827   1.968
    9    HZ   PHE  67           HZ       PHE  67   5.144   0.203   1.354

  No H/Q in entry =           9
  In of MODEL    2
    1    H    GLN  68           H        GLN  68   5.587  -6.362  -3.945
    2    HA   GLN  68           HA       GLN  68   8.351  -6.932  -4.114
    3    HB2  GLN  68           HB2      GLN  68   6.609  -8.695  -3.900
    4    HB3  GLN  68           HB3      GLN  68   6.130  -8.363  -5.564
    5   HE21  GLN  68          HE21      GLN  68   6.215 -10.482  -4.057
    6   HE22  GLN  68          HE22      GLN  68   6.179 -12.030  -4.816
    7    HG2  GLN  68           HG2      GLN  68   8.378  -8.977  -6.324
    8    HG3  GLN  68           HG3      GLN  68   8.831  -9.345  -4.661

  No H/Q in entry =           8
  In of MODEL    2
    1    H    GLN  69           H        GLN  69   5.885  -5.987  -6.475
    2    HA   GLN  69           HA       GLN  69   7.450  -6.225  -8.791
    3    HB2  GLN  69           HB2      GLN  69   4.995  -5.947  -8.807
    4    HB3  GLN  69           HB3      GLN  69   5.188  -4.287  -8.263
    5   HE21  GLN  69          HE21      GLN  69   5.337  -2.841 -12.001
    6   HE22  GLN  69          HE22      GLN  69   3.616  -2.914 -12.155
    7    HG2  GLN  69           HG2      GLN  69   6.437  -3.786 -10.329
    8    HG3  GLN  69           HG3      GLN  69   6.133  -5.437 -10.873

  No H/Q in entry =           8
  In of MODEL    2
    1    H    SER  70           H        SER  70   7.041  -3.541  -6.523
    2    HA   SER  70           HA       SER  70   8.602  -1.720  -8.080
    3    HB2  SER  70           HB2      SER  70   8.539  -0.332  -5.961
    4    HB3  SER  70           HB3      SER  70   6.965  -0.779  -6.616
    5    HG   SER  70           HG       SER  70   6.612  -2.078  -4.960

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLY  71           H        GLY  71   9.441  -4.386  -6.275
    2    HA3  GLY  71           HA2      GLY  71  11.595  -5.232  -5.982
    3    HA2  GLY  71           HA3      GLY  71  12.244  -3.648  -6.388

  No H/Q in entry =           3
  In of MODEL    2
    1    H    THR  72           H        THR  72   9.796  -3.409  -4.125
    2    HA   THR  72           HA       THR  72  11.706  -2.641  -2.090
    3    HB   THR  72           HB       THR  72   8.713  -2.587  -1.792
    4    HG1  THR  72           HG1      THR  72   8.795  -1.378  -3.564
    5   HG22  THR  72          HG21      THR  72  10.908  -0.802  -0.727
    6   HG21  THR  72          HG22      THR  72  10.072  -2.060   0.183
    7   HG23  THR  72          HG23      THR  72   9.185  -0.643  -0.382

  No H/Q in entry =           7
  In of MODEL    2
    1    H    ALA  73           H        ALA  73  12.564  -4.511  -1.245
    2    HA   ALA  73           HA       ALA  73  10.936  -6.705  -0.386
    3    HB1  ALA  73           HB1      ALA  73  13.269  -7.039  -1.066
    4    HB2  ALA  73           HB2      ALA  73  12.985  -7.600   0.581
    5    HB3  ALA  73           HB3      ALA  73  13.804  -6.065   0.305

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ALA  74           H        ALA  74   9.396  -5.603   0.891
    2    HA   ALA  74           HA       ALA  74  10.315  -4.320   3.342
    3    HB3  ALA  74           HB1      ALA  74   7.984  -3.634   3.610
    4    HB2  ALA  74           HB2      ALA  74   7.532  -4.606   2.209
    5    HB1  ALA  74           HB3      ALA  74   8.589  -3.209   2.009

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ASP  75           H        ASP  75  10.918  -6.981   3.376
    2    HA   ASP  75           HA       ASP  75  10.645  -8.971   4.448
    3    HB2  ASP  75           HB2      ASP  75  10.498  -7.280   6.392
    4    HB3  ASP  75           HB3      ASP  75   8.760  -7.540   6.332

  No H/Q in entry =           4
  In of MODEL    2
    1    H    GLU  76           H        GLU  76   7.978  -9.638   5.887
    2    HA   GLU  76           HA       GLU  76   6.400  -9.985   3.442
    3    HB2  GLU  76           HB2      GLU  76   4.959 -11.472   4.731
    4    HB3  GLU  76           HB3      GLU  76   6.635 -11.973   4.857
    5    HG2  GLU  76           HG2      GLU  76   6.805 -11.152   7.074
    6    HG3  GLU  76           HG3      GLU  76   5.244 -10.337   6.954

  No H/Q in entry =           6
  In of MODEL    2
    1    HA   PRO  77           HA       PRO  77   4.222  -6.320   4.517
    2    HB2  PRO  77           HB2      PRO  77   2.325  -6.392   2.596
    3    HB3  PRO  77           HB3      PRO  77   4.017  -6.015   2.248
    4    HD2  PRO  77           HD2      PRO  77   4.311  -9.882   2.512
    5    HD3  PRO  77           HD3      PRO  77   5.496  -8.670   1.989
    6    HG2  PRO  77           HG2      PRO  77   2.529  -8.584   1.887
    7    HG3  PRO  77           HG3      PRO  77   3.718  -7.817   0.819

  No H/Q in entry =           7
  In of MODEL    2
    1    H    SER  78           H        SER  78   3.562  -8.482   6.201
    2    HA   SER  78           HA       SER  78   0.636  -8.385   6.343
    3    HB2  SER  78           HB2      SER  78   0.898 -10.131   8.089
    4    HB3  SER  78           HB3      SER  78   1.649 -10.607   6.566
    5    HG   SER  78           HG       SER  78   3.321 -10.959   7.799

  No H/Q in entry =           5
  In of MODEL    2
    1    H    SER  79           H        SER  79   0.418  -8.697   9.156
    2    HA   SER  79           HA       SER  79   0.800  -5.993  10.014
    3    HB2  SER  79           HB2      SER  79  -1.122  -7.419  10.720
    4    HB3  SER  79           HB3      SER  79  -0.002  -8.403  11.661
    5    HG   SER  79           HG       SER  79  -0.051  -5.621  12.051

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LEU  80           H        LEU  80   2.723  -8.818  10.062
    2    HA   LEU  80           HA       LEU  80   4.159  -8.450  12.463
    3    HB2  LEU  80           HB2      LEU  80   5.077  -9.766   9.909
    4    HB3  LEU  80           HB3      LEU  80   5.826  -9.950  11.482
    5   HD11  LEU  80          HD11      LEU  80   4.943 -12.240   9.800
    6   HD13  LEU  80          HD12      LEU  80   4.039 -13.129  11.025
    7   HD12  LEU  80          HD13      LEU  80   5.597 -12.405  11.430
    8   HD22  LEU  80          HD21      LEU  80   2.979 -11.912  12.912
    9   HD21  LEU  80          HD22      LEU  80   3.083 -10.154  12.998
   10   HD23  LEU  80          HD23      LEU  80   4.507 -11.138  13.330
   11    HG   LEU  80           HG       LEU  80   3.081 -10.920  10.680

  No H/Q in entry =          11
  In of MODEL    2
    1    H    TRP  81           H        TRP  81   5.150  -6.593  12.899
    2    HA   TRP  81           HA       TRP  81   7.271  -5.737  11.089
    3    HB2  TRP  81           HB2      TRP  81   5.394  -4.250  10.575
    4    HB3  TRP  81           HB3      TRP  81   5.209  -3.862  12.282
    5    HD1  TRP  81           HD1      TRP  81   6.301  -1.663  12.973
    6    HE1  TRP  81           HE1      TRP  81   8.191  -0.161  12.075
    7    HE3  TRP  81           HE3      TRP  81   7.866  -4.586   9.076
    8    HH2  TRP  81           HH2      TRP  81  10.821  -1.650   8.131
    9    HZ2  TRP  81           HZ2      TRP  81  10.096  -0.220   9.993
   10    HZ3  TRP  81           HZ3      TRP  81   9.730  -3.787   7.681

  No H/Q in entry =          10
  In of MODEL    2
    1    H1   SER 101           H1       SER 101   0.306  16.889   6.852
    2    H2   SER 101           H3       SER 101   1.638  16.487   7.819
    3    H3   SER 101           H2       SER 101   1.290  18.111   7.500
    4    HA   SER 101           HA       SER 101   1.747  17.799   5.176
    5    HB2  SER 101           HB2      SER 101   4.225  17.290   5.427
    6    HB3  SER 101           HB3      SER 101   3.596  18.555   6.485
    7    HG   SER 101           HG       SER 101   4.905  17.096   7.640

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLN 102           H        GLN 102   2.626  14.840   7.017
    2    HA   GLN 102           HA       GLN 102   3.076  13.385   4.590
    3    HB2  GLN 102           HB2      GLN 102   3.455  11.437   6.036
    4    HB3  GLN 102           HB3      GLN 102   4.388  12.834   6.546
    5   HE21  GLN 102          HE21      GLN 102   2.472   9.819   8.182
    6   HE22  GLN 102          HE22      GLN 102   3.755   9.424   9.270
    7    HG2  GLN 102           HG2      GLN 102   2.825  13.255   8.347
    8    HG3  GLN 102           HG3      GLN 102   1.814  11.916   7.804

  No H/Q in entry =           8
  In of MODEL    2
    1    H    GLU 103           H        GLU 103   0.324  13.864   6.666
    2    HA   GLU 103           HA       GLU 103  -1.086  11.532   5.873
    3    HB2  GLU 103           HB2      GLU 103  -3.029  12.479   6.891
    4    HB3  GLU 103           HB3      GLU 103  -1.653  12.900   7.895
    5    HG2  GLU 103           HG2      GLU 103  -3.009  14.729   5.924
    6    HG3  GLU 103           HG3      GLU 103  -3.252  14.735   7.668

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LYS 104           H        LYS 104  -0.860  14.790   4.572
    2    HA   LYS 104           HA       LYS 104  -2.766  14.406   2.486
    3    HB2  LYS 104           HB2      LYS 104  -2.053  16.635   3.267
    4    HB3  LYS 104           HB3      LYS 104  -0.434  16.329   2.653
    5    HD2  LYS 104           HD2      LYS 104  -2.103  18.691   1.831
    6    HD3  LYS 104           HD3      LYS 104  -0.509  18.305   1.178
    7    HE2  LYS 104           HE2      LYS 104  -1.670  19.767  -0.344
    8    HE3  LYS 104           HE3      LYS 104  -1.502  18.173  -1.075
    9    HG2  LYS 104           HG2      LYS 104  -1.353  16.158   0.378
   10    HG3  LYS 104           HG3      LYS 104  -2.954  16.541   1.020
   11    HZ2  LYS 104           HZ1      LYS 104  -3.712  19.148  -1.396
   12    HZ1  LYS 104           HZ2      LYS 104  -3.950  19.161   0.285
   13    HZ3  LYS 104           HZ3      LYS 104  -3.779  17.684  -0.538

  No H/Q in entry =          13
  In of MODEL    2
    1    H    PHE 105           H        PHE 105   0.669  13.888   2.834
    2    HA   PHE 105           HA       PHE 105   1.382  13.340   0.177
    3    HB2  PHE 105           HB2      PHE 105   2.891  13.679   2.192
    4    HB3  PHE 105           HB3      PHE 105   2.508  12.030   2.658
    5    HD1  PHE 105           HD1      PHE 105   4.164  14.114   0.112
    6    HD2  PHE 105           HD2      PHE 105   3.582  10.183   1.637
    7    HE1  PHE 105           HE1      PHE 105   6.047  13.309  -1.253
    8    HE2  PHE 105           HE2      PHE 105   5.458   9.373   0.271
    9    HZ   PHE 105           HZ       PHE 105   6.695  10.934  -1.176

  No H/Q in entry =           9
  In of MODEL    2
    1    H    PHE 106           H        PHE 106  -0.089  11.327   2.663
    2    HA   PHE 106           HA       PHE 106   0.086   8.908   1.134
    3    HB2  PHE 106           HB2      PHE 106  -1.657   9.560   3.522
    4    HB3  PHE 106           HB3      PHE 106  -1.362   7.953   2.872
    5    HD1  PHE 106           HD1      PHE 106  -0.852   9.205   5.701
    6    HD2  PHE 106           HD2      PHE 106   1.633   8.342   2.354
    7    HE1  PHE 106           HE1      PHE 106   1.083   8.964   7.200
    8    HE2  PHE 106           HE2      PHE 106   3.566   8.102   3.849
    9    HZ   PHE 106           HZ       PHE 106   3.294   8.412   6.275

  No H/Q in entry =           9
  In of MODEL    2
    1    H    GLN 107           H        GLN 107  -2.101  11.565   1.260
    2    HA   GLN 107           HA       GLN 107  -4.319  10.008   0.179
    3    HB2  GLN 107           HB2      GLN 107  -4.844  11.543   1.981
    4    HB3  GLN 107           HB3      GLN 107  -4.145  12.883   1.085
    5   HE21  GLN 107          HE21      GLN 107  -7.653  13.888  -0.589
    6   HE22  GLN 107          HE22      GLN 107  -8.135  14.758   0.835
    7    HG2  GLN 107           HG2      GLN 107  -5.875  12.570  -0.649
    8    HG3  GLN 107           HG3      GLN 107  -6.610  11.324   0.358

  No H/Q in entry =           8
  In of MODEL    2
    1    H    GLU 108           H        GLU 108  -2.609  13.034  -0.625
    2    HA   GLU 108           HA       GLU 108  -4.050  13.476  -3.003
    3    HB2  GLU 108           HB2      GLU 108  -2.083  14.817  -1.475
    4    HB3  GLU 108           HB3      GLU 108  -1.486  14.735  -3.127
    5    HG2  GLU 108           HG2      GLU 108  -2.755  16.785  -2.687
    6    HG3  GLU 108           HG3      GLU 108  -3.479  15.796  -3.955

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LEU 109           H        LEU 109  -1.111  11.689  -2.365
    2    HA   LEU 109           HA       LEU 109  -0.339  11.525  -5.123
    3    HB2  LEU 109           HB2      LEU 109   0.559   9.982  -2.699
    4    HB3  LEU 109           HB3      LEU 109   1.257   9.788  -4.294
    5   HD12  LEU 109          HD11      LEU 109   3.703  11.881  -2.496
    6   HD11  LEU 109          HD12      LEU 109   3.479  10.359  -3.356
    7   HD13  LEU 109          HD13      LEU 109   2.758  10.586  -1.764
    8   HD21  LEU 109          HD21      LEU 109   2.533  11.675  -5.332
    9   HD23  LEU 109          HD22      LEU 109   2.821  13.144  -4.399
   10   HD22  LEU 109          HD23      LEU 109   1.209  12.805  -5.035
   11    HG   LEU 109           HG       LEU 109   1.307  12.322  -2.653

  No H/Q in entry =          11
  In of MODEL    2
    1    H    PHE 110           H        PHE 110  -2.334   9.654  -2.963
    2    HA   PHE 110           HA       PHE 110  -2.408   7.417  -4.823
    3    HB2  PHE 110           HB2      PHE 110  -2.543   7.473  -2.112
    4    HB3  PHE 110           HB3      PHE 110  -4.257   7.426  -2.519
    5    HD1  PHE 110           HD1      PHE 110  -5.163   5.553  -3.834
    6    HD2  PHE 110           HD2      PHE 110  -1.153   5.564  -2.417
    7    HE1  PHE 110           HE1      PHE 110  -5.044   3.123  -4.174
    8    HE2  PHE 110           HE2      PHE 110  -1.020   3.128  -2.755
    9    HZ   PHE 110           HZ       PHE 110  -2.891   1.923  -3.726

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ASP 111           H        ASP 111  -3.904  10.332  -4.450
    2    HA   ASP 111           HA       ASP 111  -6.590   9.820  -5.065
    3    HB2  ASP 111           HB2      ASP 111  -5.716  12.010  -4.298
    4    HB3  ASP 111           HB3      ASP 111  -4.913  12.215  -5.851

  No H/Q in entry =           4
  In of MODEL    2
    1    H    SER 112           H        SER 112  -3.878  10.663  -7.187
    2    HA   SER 112           HA       SER 112  -4.867   8.977  -9.285
    3    HB2  SER 112           HB2      SER 112  -6.202  11.073  -9.593
    4    HB3  SER 112           HB3      SER 112  -4.693  11.965  -9.781
    5    HG   SER 112           HG       SER 112  -5.862  11.178 -11.754

  No H/Q in entry =           5
  In of MODEL    3
    1    H1   GLY  12           H1       GLY  12 -28.330   5.798   1.663
    2    H2   GLY  12           H3       GLY  12 -28.105   4.425   2.633
    3    H3   GLY  12           H2       GLY  12 -28.611   5.884   3.332
    4    HA2  GLY  12           HA2      GLY  12 -26.260   5.452   3.761
    5    HA3  GLY  12           HA3      GLY  12 -26.524   6.929   2.844

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ALA  13           H        ALA  13 -24.277   4.838   3.043
    2    HA   ALA  13           HA       ALA  13 -23.414   5.083   0.354
    3    HB1  ALA  13           HB1      ALA  13 -21.855   4.993   2.233
    4    HB3  ALA  13           HB2      ALA  13 -21.502   3.732   1.053
    5    HB2  ALA  13           HB3      ALA  13 -22.332   3.327   2.556

  No H/Q in entry =           5
  In of MODEL    3
    1    H    MET  14           H        MET  14 -24.549   4.066  -1.184
    2    HA   MET  14           HA       MET  14 -25.344   1.272  -0.758
    3    HB2  MET  14           HB2      MET  14 -27.056   2.959  -1.494
    4    HB3  MET  14           HB3      MET  14 -26.155   3.141  -2.993
    5    HE3  MET  14           HE1      MET  14 -29.348   0.677   0.184
    6    HE2  MET  14           HE2      MET  14 -29.686   1.570  -1.298
    7    HE1  MET  14           HE3      MET  14 -28.357   2.069  -0.252
    8    HG2  MET  14           HG2      MET  14 -28.002   1.667  -3.359
    9    HG3  MET  14           HG3      MET  14 -26.505   0.742  -3.453

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ALA  15           H        ALA  15 -24.253  -0.321  -1.708
    2    HA   ALA  15           HA       ALA  15 -22.621  -1.396  -2.871
    3    HB2  ALA  15           HB1      ALA  15 -22.551  -0.994  -5.273
    4    HB3  ALA  15           HB2      ALA  15 -23.432   0.519  -5.059
    5    HB1  ALA  15           HB3      ALA  15 -24.217  -1.017  -4.693

  No H/Q in entry =           5
  In of MODEL    3
    1    H    THR  16           H        THR  16 -21.433   0.165  -1.171
    2    HA   THR  16           HA       THR  16 -19.433   1.712  -2.693
    3    HB   THR  16           HB       THR  16 -20.429   2.362   0.086
    4    HG1  THR  16           HG1      THR  16 -21.739   2.682  -2.126
    5   HG21  THR  16          HG21      THR  16 -18.162   3.155  -0.402
    6   HG23  THR  16          HG22      THR  16 -19.295   4.502  -0.287
    7   HG22  THR  16          HG23      THR  16 -18.748   3.941  -1.867

  No H/Q in entry =           7
  In of MODEL    3
    1    HA   PRO  17           HA       PRO  17 -16.644  -1.096  -0.510
    2    HB2  PRO  17           HB2      PRO  17 -14.576   0.289  -2.048
    3    HB3  PRO  17           HB3      PRO  17 -15.041  -1.412  -2.091
    4    HD2  PRO  17           HD2      PRO  17 -16.944   1.819  -3.111
    5    HD3  PRO  17           HD3      PRO  17 -18.149   0.627  -3.645
    6    HG2  PRO  17           HG2      PRO  17 -15.537   0.285  -4.138
    7    HG3  PRO  17           HG3      PRO  17 -16.591  -1.087  -3.750

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLY  18           H        GLY  18 -16.843  -0.097   1.501
    2    HA3  GLY  18           HA2      GLY  18 -14.675   1.686   2.197
    3    HA2  GLY  18           HA3      GLY  18 -16.269   2.418   2.317

  No H/Q in entry =           3
  In of MODEL    3
    1    H    SER  19           H        SER  19 -15.981  -0.957   2.940
    2    HA   SER  19           HA       SER  19 -16.473  -0.478   5.782
    3    HB2  SER  19           HB2      SER  19 -16.701  -3.076   4.270
    4    HB3  SER  19           HB3      SER  19 -17.359  -2.703   5.863
    5    HG   SER  19           HG       SER  19 -18.698  -1.121   4.827

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLU  20           H        GLU  20 -14.855  -3.006   3.983
    2    HA   GLU  20           HA       GLU  20 -12.833  -3.219   6.072
    3    HB2  GLU  20           HB2      GLU  20 -12.380  -5.245   4.255
    4    HB3  GLU  20           HB3      GLU  20 -13.348  -5.379   5.717
    5    HG2  GLU  20           HG2      GLU  20 -14.713  -6.207   4.040
    6    HG3  GLU  20           HG3      GLU  20 -15.304  -4.590   4.332

  No H/Q in entry =           6
  In of MODEL    3
    1    H    ASN  21           H        ASN  21 -13.235  -2.552   2.679
    2    HA   ASN  21           HA       ASN  21 -11.969  -1.508   1.139
    3    HB2  ASN  21           HB2      ASN  21 -10.304  -0.775   3.546
    4    HB3  ASN  21           HB3      ASN  21  -9.906  -0.241   1.915
    5   HD21  ASN  21          HD21      ASN  21 -10.628   1.357   4.218
    6   HD22  ASN  21          HD22      ASN  21 -12.032   2.257   3.764

  No H/Q in entry =           6
  In of MODEL    3
    1    H    VAL  22           H        VAL  22 -11.625  -4.300   1.816
    2    HA   VAL  22           HA       VAL  22  -8.827  -4.815   1.152
    3    HB   VAL  22           HB       VAL  22 -11.038  -6.837   1.580
    4   HG13  VAL  22          HG11      VAL  22  -9.056  -7.723   0.478
    5   HG12  VAL  22          HG12      VAL  22  -9.204  -8.362   2.116
    6   HG11  VAL  22          HG13      VAL  22  -8.040  -7.083   1.772
    7   HG22  VAL  22          HG21      VAL  22 -10.247  -7.042   3.887
    8   HG21  VAL  22          HG22      VAL  22 -10.876  -5.427   3.555
    9   HG23  VAL  22          HG23      VAL  22  -9.134  -5.700   3.623

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LEU  23           H        LEU  23  -9.281  -3.620  -0.888
    2    HA   LEU  23           HA       LEU  23 -10.995  -4.995  -2.822
    3    HB2  LEU  23           HB2      LEU  23 -11.389  -2.618  -2.396
    4    HB3  LEU  23           HB3      LEU  23  -9.740  -2.253  -2.857
    5   HD13  LEU  23          HD11      LEU  23 -12.123  -4.530  -4.651
    6   HD12  LEU  23          HD12      LEU  23 -12.625  -3.283  -5.791
    7   HD11  LEU  23          HD13      LEU  23 -13.078  -3.156  -4.092
    8   HD21  LEU  23          HD21      LEU  23 -11.967  -0.822  -4.087
    9   HD23  LEU  23          HD22      LEU  23 -11.561  -1.081  -5.785
   10   HD22  LEU  23          HD23      LEU  23 -10.292  -0.694  -4.622
   11    HG   LEU  23           HG       LEU  23 -10.258  -3.065  -5.161

  No H/Q in entry =          11
  In of MODEL    3
    1    HA   PRO  24           HA       PRO  24  -7.099  -6.211  -4.789
    2    HB2  PRO  24           HB2      PRO  24  -8.020  -8.474  -5.911
    3    HB3  PRO  24           HB3      PRO  24  -7.610  -8.382  -4.196
    4    HD2  PRO  24           HD2      PRO  24 -11.100  -6.604  -4.452
    5    HD3  PRO  24           HD3      PRO  24 -10.380  -7.108  -2.912
    6    HG2  PRO  24           HG2      PRO  24 -10.271  -8.425  -5.507
    7    HG3  PRO  24           HG3      PRO  24  -9.785  -9.044  -3.921

  No H/Q in entry =           7
  In of MODEL    3
    1    H    ARG  25           H        ARG  25  -7.102  -4.473  -6.301
    2    HA   ARG  25           HA       ARG  25  -8.338  -5.170  -8.875
    3    HB2  ARG  25           HB2      ARG  25  -8.501  -2.508  -7.480
    4    HB3  ARG  25           HB3      ARG  25  -8.690  -2.652  -9.222
    5    HD2  ARG  25           HD2      ARG  25 -12.178  -2.562  -8.022
    6    HD3  ARG  25           HD3      ARG  25 -10.837  -1.537  -7.515
    7    HE   ARG  25           HE       ARG  25 -10.670  -2.239 -10.288
    8    HG2  ARG  25           HG2      ARG  25 -10.558  -4.233  -8.837
    9    HG3  ARG  25           HG3      ARG  25 -10.408  -3.930  -7.106
   10   HH11  ARG  25          HH11      ARG  25 -12.307  -0.108  -8.030
   11   HH12  ARG  25          HH12      ARG  25 -12.550   1.154  -9.194
   12   HH21  ARG  25          HH21      ARG  25 -11.009  -0.570 -11.833
   13   HH22  ARG  25          HH22      ARG  25 -11.844   0.877 -11.365

  No H/Q in entry =          13
  In of MODEL    3
    1    H    GLU  26           H        GLU  26  -7.230  -4.728 -10.660
    2    HA   GLU  26           HA       GLU  26  -4.467  -4.544 -10.697
    3    HB2  GLU  26           HB2      GLU  26  -5.655  -5.437 -12.560
    4    HB3  GLU  26           HB3      GLU  26  -6.539  -3.943 -12.804
    5    HG2  GLU  26           HG2      GLU  26  -4.930  -4.100 -14.524
    6    HG3  GLU  26           HG3      GLU  26  -4.373  -2.856 -13.408

  No H/Q in entry =           6
  In of MODEL    3
    1    HA   PRO  27           HA       PRO  27  -4.905   0.214 -11.944
    2    HB2  PRO  27           HB2      PRO  27  -7.072   1.362 -10.605
    3    HB3  PRO  27           HB3      PRO  27  -6.991   1.015 -12.333
    4    HD2  PRO  27           HD2      PRO  27  -7.672  -2.604 -11.025
    5    HD3  PRO  27           HD3      PRO  27  -7.366  -1.925 -12.638
    6    HG2  PRO  27           HG2      PRO  27  -8.242  -0.541 -10.131
    7    HG3  PRO  27           HG3      PRO  27  -8.801  -0.305 -11.796

  No H/Q in entry =           7
  In of MODEL    3
    1    H    LEU  28           H        LEU  28  -6.051  -1.020  -8.842
    2    HA   LEU  28           HA       LEU  28  -5.065   1.094  -7.246
    3    HB2  LEU  28           HB2      LEU  28  -6.722  -0.895  -6.735
    4    HB3  LEU  28           HB3      LEU  28  -5.261  -1.714  -6.224
    5   HD13  LEU  28          HD11      LEU  28  -4.625   0.370  -3.266
    6   HD12  LEU  28          HD12      LEU  28  -3.802   0.535  -4.816
    7   HD11  LEU  28          HD13      LEU  28  -4.119  -1.068  -4.151
    8   HD21  LEU  28          HD21      LEU  28  -5.752   1.912  -5.704
    9   HD23  LEU  28          HD22      LEU  28  -6.476   1.760  -4.103
   10   HD22  LEU  28          HD23      LEU  28  -7.387   1.273  -5.533
   11    HG   LEU  28           HG       LEU  28  -6.523  -0.672  -4.358

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ILE  29           H        ILE  29  -3.725  -2.043  -8.194
    2    HA   ILE  29           HA       ILE  29  -1.310  -1.939  -6.788
    3    HB   ILE  29           HB       ILE  29  -1.751  -3.167  -9.517
    4   HD12  ILE  29          HD11      ILE  29  -1.427  -6.052  -8.465
    5   HD11  ILE  29          HD12      ILE  29  -2.730  -5.512  -9.524
    6   HD13  ILE  29          HD13      ILE  29  -3.107  -6.288  -7.987
    7   HG12  ILE  29          HG12      ILE  29  -2.104  -4.428  -6.788
    8   HG13  ILE  29          HG13      ILE  29  -3.424  -3.896  -7.825
    9   HG23  ILE  29          HG21      ILE  29   0.060  -4.692  -8.867
   10   HG22  ILE  29          HG22      ILE  29   0.266  -3.795  -7.363
   11   HG21  ILE  29          HG23      ILE  29   0.600  -3.013  -8.907

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ALA  30           H        ALA  30  -2.173  -0.717  -9.993
    2    HA   ALA  30           HA       ALA  30   0.370   0.150 -10.794
    3    HB3  ALA  30           HB1      ALA  30  -0.800   1.513 -12.430
    4    HB2  ALA  30           HB2      ALA  30  -2.312   1.300 -11.546
    5    HB1  ALA  30           HB3      ALA  30  -1.536  -0.085 -12.313

  No H/Q in entry =           5
  In of MODEL    3
    1    H    THR  31           H        THR  31  -2.229   1.878  -9.079
    2    HA   THR  31           HA       THR  31  -0.825   4.338  -8.904
    3    HB   THR  31           HB       THR  31  -2.995   3.354  -7.043
    4    HG1  THR  31           HG1      THR  31  -4.251   4.760  -8.647
    5   HG23  THR  31          HG21      THR  31  -1.832   5.361  -6.267
    6   HG22  THR  31          HG22      THR  31  -3.474   5.753  -6.781
    7   HG21  THR  31          HG23      THR  31  -2.108   6.137  -7.828

  No H/Q in entry =           7
  In of MODEL    3
    1    H    ALA  32           H        ALA  32  -0.988   1.475  -6.860
    2    HA   ALA  32           HA       ALA  32   0.201   2.577  -4.572
    3    HB3  ALA  32           HB1      ALA  32   0.367  -0.284  -5.499
    4    HB1  ALA  32           HB2      ALA  32  -0.965   0.417  -4.579
    5    HB2  ALA  32           HB3      ALA  32   0.644   0.316  -3.863

  No H/Q in entry =           5
  In of MODEL    3
    1    H    VAL  33           H        VAL  33   1.660   0.910  -7.362
    2    HA   VAL  33           HA       VAL  33   4.323   1.099  -6.382
    3    HB   VAL  33           HB       VAL  33   3.396   0.873  -9.260
    4   HG12  VAL  33          HG11      VAL  33   5.612  -0.098  -9.669
    5   HG11  VAL  33          HG12      VAL  33   6.060   0.233  -7.996
    6   HG13  VAL  33          HG13      VAL  33   5.722   1.567  -9.099
    7   HG22  VAL  33          HG21      VAL  33   3.743  -1.536  -8.981
    8   HG21  VAL  33          HG22      VAL  33   2.498  -0.929  -7.890
    9   HG23  VAL  33          HG23      VAL  33   4.112  -1.284  -7.274

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LYS  34           H        LYS  34   2.319   3.188  -8.423
    2    HA   LYS  34           HA       LYS  34   4.198   5.145  -9.096
    3    HB2  LYS  34           HB2      LYS  34   2.056   5.279 -10.122
    4    HB3  LYS  34           HB3      LYS  34   1.228   5.259  -8.576
    5    HD2  LYS  34           HD2      LYS  34   0.382   7.240  -7.753
    6    HD3  LYS  34           HD3      LYS  34   1.961   7.491  -7.007
    7    HE2  LYS  34           HE2      LYS  34   0.431   9.436  -8.731
    8    HE3  LYS  34           HE3      LYS  34   0.721   9.553  -6.994
    9    HG2  LYS  34           HG2      LYS  34   3.015   7.563  -9.195
   10    HG3  LYS  34           HG3      LYS  34   1.445   7.465  -9.993
   11    HZ3  LYS  34           HZ1      LYS  34   2.313  10.946  -7.844
   12    HZ2  LYS  34           HZ2      LYS  34   2.579  10.010  -9.227
   13    HZ1  LYS  34           HZ3      LYS  34   3.198   9.502  -7.737

  No H/Q in entry =          13
  In of MODEL    3
    1    H    PHE  35           H        PHE  35   2.014   4.989  -6.329
    2    HA   PHE  35           HA       PHE  35   2.904   7.193  -4.892
    3    HB2  PHE  35           HB2      PHE  35   0.886   5.900  -4.386
    4    HB3  PHE  35           HB3      PHE  35   1.883   4.548  -3.868
    5    HD1  PHE  35           HD1      PHE  35   1.165   8.095  -3.154
    6    HD2  PHE  35           HD2      PHE  35   2.557   4.371  -1.640
    7    HE1  PHE  35           HE1      PHE  35   1.227   9.034  -0.899
    8    HE2  PHE  35           HE2      PHE  35   2.624   5.299   0.598
    9    HZ   PHE  35           HZ       PHE  35   1.910   7.553   1.035

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LEU  36           H        LEU  36   3.908   3.804  -4.664
    2    HA   LEU  36           HA       LEU  36   5.815   3.945  -2.680
    3    HB2  LEU  36           HB2      LEU  36   5.278   2.170  -4.973
    4    HB3  LEU  36           HB3      LEU  36   6.885   2.068  -4.289
    5   HD13  LEU  36          HD11      LEU  36   4.330   2.875  -1.837
    6   HD12  LEU  36          HD12      LEU  36   3.755   1.229  -1.567
    7   HD11  LEU  36          HD13      LEU  36   3.320   2.083  -3.047
    8   HD22  LEU  36          HD21      LEU  36   4.709  -0.650  -2.830
    9   HD21  LEU  36          HD22      LEU  36   5.935  -0.367  -4.066
   10   HD23  LEU  36          HD23      LEU  36   4.265   0.127  -4.349
   11    HG   LEU  36           HG       LEU  36   6.104   1.252  -2.241

  No H/Q in entry =          11
  In of MODEL    3
    1    H    GLN  37           H        GLN  37   6.455   4.151  -6.190
    2    HA   GLN  37           HA       GLN  37   9.207   4.874  -5.557
    3    HB2  GLN  37           HB2      GLN  37   7.880   4.065  -8.134
    4    HB3  GLN  37           HB3      GLN  37   9.561   4.576  -8.030
    5   HE21  GLN  37          HE21      GLN  37  10.757   0.773  -7.260
    6   HE22  GLN  37          HE22      GLN  37  10.574   0.297  -8.914
    7    HG2  GLN  37           HG2      GLN  37  10.041   2.752  -6.499
    8    HG3  GLN  37           HG3      GLN  37   8.352   2.249  -6.552

  No H/Q in entry =           8
  In of MODEL    3
    1    H    ASN  38           H        ASN  38   7.273   6.828  -4.981
    2    HA   ASN  38           HA       ASN  38   7.647   8.953  -6.877
    3    HB2  ASN  38           HB2      ASN  38   5.803   9.202  -5.362
    4    HB3  ASN  38           HB3      ASN  38   6.827   8.907  -3.961
    5   HD21  ASN  38          HD21      ASN  38   5.829  11.220  -6.354
    6   HD22  ASN  38          HD22      ASN  38   6.541  12.601  -5.595

  No H/Q in entry =           6
  In of MODEL    3
    1    H    SER  39           H        SER  39   9.000   8.234  -3.678
    2    HA   SER  39           HA       SER  39  11.674   8.403  -4.281
    3    HB2  SER  39           HB2      SER  39  12.283  10.658  -3.354
    4    HB3  SER  39           HB3      SER  39  11.421  10.732  -4.890
    5    HG   SER  39           HG       SER  39   9.563  11.338  -3.805

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ARG  40           H        ARG  40   9.639   9.894  -1.805
    2    HA   ARG  40           HA       ARG  40  11.430   9.108   0.291
    3    HB2  ARG  40           HB2      ARG  40  10.062  11.273   0.016
    4    HB3  ARG  40           HB3      ARG  40   8.710  10.338   0.630
    5    HD2  ARG  40           HD2      ARG  40   8.704  12.115   2.564
    6    HD3  ARG  40           HD3      ARG  40  10.228  12.357   3.418
    7    HE   ARG  40           HE       ARG  40  10.486  12.795   0.596
    8    HG2  ARG  40           HG2      ARG  40   9.792   9.996   2.716
    9    HG3  ARG  40           HG3      ARG  40  11.307  10.671   2.103
   10   HH11  ARG  40          HH11      ARG  40   9.493  14.294   3.602
   11   HH12  ARG  40          HH12      ARG  40   9.733  15.917   3.012
   12   HH21  ARG  40          HH21      ARG  40  10.735  14.905  -0.197
   13   HH22  ARG  40          HH22      ARG  40  10.403  16.268   0.835

  No H/Q in entry =          13
  In of MODEL    3
    1    H    VAL  41           H        VAL  41   8.533   7.870  -1.079
    2    HA   VAL  41           HA       VAL  41   7.269   6.770   1.134
    3    HB   VAL  41           HB       VAL  41   7.204   5.790  -1.726
    4   HG11  VAL  41          HG11      VAL  41   5.386   5.238   0.616
    5   HG13  VAL  41          HG12      VAL  41   6.342   4.069  -0.295
    6   HG12  VAL  41          HG13      VAL  41   4.978   4.885  -1.062
    7   HG23  VAL  41          HG21      VAL  41   5.155   7.127  -1.860
    8   HG22  VAL  41          HG22      VAL  41   6.562   8.125  -1.498
    9   HG21  VAL  41          HG23      VAL  41   5.426   7.705  -0.216

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ARG  42           H        ARG  42   9.809   5.369  -0.896
    2    HA   ARG  42           HA       ARG  42   9.538   2.764   0.264
    3    HB2  ARG  42           HB2      ARG  42  11.832   3.905  -1.341
    4    HB3  ARG  42           HB3      ARG  42  11.587   2.206  -0.956
    5    HD2  ARG  42           HD2      ARG  42  11.191   1.210  -3.127
    6    HD3  ARG  42           HD3      ARG  42  10.356   2.140  -4.367
    7    HE   ARG  42           HE       ARG  42  12.469   3.711  -3.466
    8    HG2  ARG  42           HG2      ARG  42   9.345   2.447  -2.162
    9    HG3  ARG  42           HG3      ARG  42   9.998   3.957  -2.795
   10   HH11  ARG  42          HH11      ARG  42  12.030   0.616  -5.059
   11   HH12  ARG  42          HH12      ARG  42  13.528   0.708  -5.931
   12   HH21  ARG  42          HH21      ARG  42  14.462   3.814  -4.601
   13   HH22  ARG  42          HH22      ARG  42  14.912   2.514  -5.663

  No H/Q in entry =          13
  In of MODEL    3
    1    H    GLN  43           H        GLN  43  10.913   5.645   1.317
    2    HA   GLN  43           HA       GLN  43  12.689   4.240   3.198
    3    HB2  GLN  43           HB2      GLN  43  12.587   7.159   2.415
    4    HB3  GLN  43           HB3      GLN  43  13.649   6.495   3.646
    5   HE21  GLN  43          HE21      GLN  43  13.749   3.628   0.850
    6   HE22  GLN  43          HE22      GLN  43  15.066   2.769   1.568
    7    HG2  GLN  43           HG2      GLN  43  13.675   5.837   0.711
    8    HG3  GLN  43           HG3      GLN  43  14.856   6.809   1.585

  No H/Q in entry =           8
  In of MODEL    3
    1    H    SER  44           H        SER  44   9.625   5.249   2.988
    2    HA   SER  44           HA       SER  44   9.362   6.429   5.620
    3    HB2  SER  44           HB2      SER  44   7.236   5.492   3.669
    4    HB3  SER  44           HB3      SER  44   6.960   6.461   5.117
    5    HG   SER  44           HG       SER  44   8.724   7.833   3.896

  No H/Q in entry =           5
  In of MODEL    3
    1    HA   PRO  45           HA       PRO  45   9.090   2.775   8.049
    2    HB2  PRO  45           HB2      PRO  45   6.654   4.061   9.199
    3    HB3  PRO  45           HB3      PRO  45   8.056   3.369  10.022
    4    HD2  PRO  45           HD2      PRO  45   7.569   6.361   7.540
    5    HD3  PRO  45           HD3      PRO  45   9.342   6.340   7.605
    6    HG2  PRO  45           HG2      PRO  45   7.790   6.002   9.802
    7    HG3  PRO  45           HG3      PRO  45   9.378   5.235   9.623

  No H/Q in entry =           7
  In of MODEL    3
    1    H    LEU  46           H        LEU  46   8.397   0.908   7.332
    2    HA   LEU  46           HA       LEU  46   6.205   0.586   5.608
    3    HB2  LEU  46           HB2      LEU  46   7.814  -1.434   7.160
    4    HB3  LEU  46           HB3      LEU  46   6.585  -1.872   5.982
    5   HD11  LEU  46          HD11      LEU  46   9.840  -2.124   6.191
    6   HD13  LEU  46          HD12      LEU  46  10.081  -2.062   4.445
    7   HD12  LEU  46          HD13      LEU  46   8.832  -3.105   5.126
    8   HD22  LEU  46          HD21      LEU  46   6.986  -0.207   3.696
    9   HD21  LEU  46          HD22      LEU  46   7.099  -1.967   3.673
   10   HD23  LEU  46          HD23      LEU  46   8.403  -0.992   2.994
   11    HG   LEU  46           HG       LEU  46   8.880  -0.092   5.216

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ALA  47           H        ALA  47   6.383   0.588   9.057
    2    HA   ALA  47           HA       ALA  47   4.110  -0.730   9.845
    3    HB1  ALA  47           HB1      ALA  47   5.620   0.431  11.388
    4    HB2  ALA  47           HB2      ALA  47   3.937   0.877  11.670
    5    HB3  ALA  47           HB3      ALA  47   5.010   1.982  10.813

  No H/Q in entry =           5
  In of MODEL    3
    1    H    THR  48           H        THR  48   4.262   2.636   8.640
    2    HA   THR  48           HA       THR  48   1.440   2.908   8.393
    3    HB   THR  48           HB       THR  48   3.675   4.420   7.030
    4    HG1  THR  48           HG1      THR  48   1.982   5.472   9.031
    5   HG23  THR  48          HG21      THR  48   1.640   4.578   5.689
    6   HG22  THR  48          HG22      THR  48   1.961   6.115   6.494
    7   HG21  THR  48          HG23      THR  48   0.715   5.034   7.120

  No H/Q in entry =           7
  In of MODEL    3
    1    H    ARG  49           H        ARG  49   4.042   1.938   6.233
    2    HA   ARG  49           HA       ARG  49   2.751   2.071   3.789
    3    HB2  ARG  49           HB2      ARG  49   4.874   0.153   4.733
    4    HB3  ARG  49           HB3      ARG  49   4.395   0.338   3.054
    5    HD2  ARG  49           HD2      ARG  49   6.336   3.161   2.288
    6    HD3  ARG  49           HD3      ARG  49   6.521   1.422   2.083
    7    HE   ARG  49           HE       ARG  49   4.569   1.402   0.932
    8    HG2  ARG  49           HG2      ARG  49   5.024   2.895   4.228
    9    HG3  ARG  49           HG3      ARG  49   6.365   1.764   4.407
   10   HH11  ARG  49          HH11      ARG  49   4.653   4.333   2.849
   11   HH12  ARG  49          HH12      ARG  49   3.157   4.940   2.221
   12   HH21  ARG  49          HH21      ARG  49   2.603   2.184   0.106
   13   HH22  ARG  49          HH22      ARG  49   1.989   3.712   0.648

  No H/Q in entry =          13
  In of MODEL    3
    1    H    ARG  50           H        ARG  50   2.816  -0.650   6.073
    2    HA   ARG  50           HA       ARG  50   1.493  -2.490   4.380
    3    HB2  ARG  50           HB2      ARG  50   1.326  -2.490   7.389
    4    HB3  ARG  50           HB3      ARG  50   1.190  -3.863   6.307
    5    HD2  ARG  50           HD2      ARG  50   3.254  -4.596   5.034
    6    HD3  ARG  50           HD3      ARG  50   3.772  -2.964   4.608
    7    HE   ARG  50           HE       ARG  50   5.493  -4.237   6.520
    8    HG2  ARG  50           HG2      ARG  50   3.673  -2.285   6.916
    9    HG3  ARG  50           HG3      ARG  50   3.302  -3.932   7.424
   10   HH11  ARG  50          HH11      ARG  50   4.845  -3.823   3.100
   11   HH12  ARG  50          HH12      ARG  50   6.422  -4.342   2.610
   12   HH21  ARG  50          HH21      ARG  50   7.546  -4.956   5.884
   13   HH22  ARG  50          HH22      ARG  50   7.962  -5.001   4.194

  No H/Q in entry =          13
  In of MODEL    3
    1    H    ALA  51           H        ALA  51   0.239  -0.726   7.204
    2    HA   ALA  51           HA       ALA  51  -2.441  -1.455   6.856
    3    HB3  ALA  51           HB1      ALA  51  -2.951   0.335   8.431
    4    HB2  ALA  51           HB2      ALA  51  -1.333   1.001   8.212
    5    HB1  ALA  51           HB3      ALA  51  -1.540  -0.583   8.957

  No H/Q in entry =           5
  In of MODEL    3
    1    H    PHE  52           H        PHE  52  -0.551   1.170   5.562
    2    HA   PHE  52           HA       PHE  52  -2.515   2.862   4.599
    3    HB2  PHE  52           HB2      PHE  52  -0.216   3.514   4.562
    4    HB3  PHE  52           HB3      PHE  52   0.208   2.188   3.488
    5    HD1  PHE  52           HD1      PHE  52   0.328   2.523   1.254
    6    HD2  PHE  52           HD2      PHE  52  -1.945   5.198   3.647
    7    HE1  PHE  52           HE1      PHE  52  -0.023   3.971  -0.701
    8    HE2  PHE  52           HE2      PHE  52  -2.304   6.646   1.705
    9    HZ   PHE  52           HZ       PHE  52  -1.314   6.039  -0.471

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LEU  53           H        LEU  53  -0.932   0.202   2.784
    2    HA   LEU  53           HA       LEU  53  -2.580   0.532   0.514
    3    HB2  LEU  53           HB2      LEU  53  -0.785  -1.653   1.470
    4    HB3  LEU  53           HB3      LEU  53  -1.871  -1.971   0.132
    5   HD11  LEU  53          HD11      LEU  53   0.146   1.091   0.937
    6   HD13  LEU  53          HD12      LEU  53   1.358   0.747  -0.298
    7   HD12  LEU  53          HD13      LEU  53   1.233  -0.286   1.127
    8   HD22  LEU  53          HD21      LEU  53   1.119  -1.201  -1.769
    9   HD21  LEU  53          HD22      LEU  53  -0.300  -2.244  -1.653
   10   HD23  LEU  53          HD23      LEU  53   0.942  -2.301  -0.402
   11    HG   LEU  53           HG       LEU  53  -0.845   0.039  -1.027

  No H/Q in entry =          11
  In of MODEL    3
    1    H    LYS  54           H        LYS  54  -2.910  -1.490   3.386
    2    HA   LYS  54           HA       LYS  54  -5.127  -2.984   2.446
    3    HB2  LYS  54           HB2      LYS  54  -3.716  -2.648   4.994
    4    HB3  LYS  54           HB3      LYS  54  -5.428  -2.988   5.174
    5    HD2  LYS  54           HD2      LYS  54  -2.985  -5.798   3.156
    6    HD3  LYS  54           HD3      LYS  54  -2.906  -4.087   2.735
    7    HE2  LYS  54           HE2      LYS  54  -0.884  -4.733   3.894
    8    HE3  LYS  54           HE3      LYS  54  -1.830  -3.627   4.895
    9    HG2  LYS  54           HG2      LYS  54  -4.268  -5.045   5.232
   10    HG3  LYS  54           HG3      LYS  54  -5.114  -4.964   3.690
   11    HZ1  LYS  54           HZ1      LYS  54  -2.672  -5.543   6.135
   12    HZ3  LYS  54           HZ2      LYS  54  -0.986  -5.444   6.220
   13    HZ2  LYS  54           HZ3      LYS  54  -1.716  -6.585   5.194

  No H/Q in entry =          13
  In of MODEL    3
    1    H    LYS  55           H        LYS  55  -4.886   0.060   4.225
    2    HA   LYS  55           HA       LYS  55  -7.740   0.251   4.575
    3    HB2  LYS  55           HB2      LYS  55  -5.542   2.277   5.008
    4    HB3  LYS  55           HB3      LYS  55  -7.236   2.529   5.424
    5    HD2  LYS  55           HD2      LYS  55  -7.515   0.818   8.351
    6    HD3  LYS  55           HD3      LYS  55  -8.358   1.069   6.823
    7    HE2  LYS  55           HE2      LYS  55  -6.657  -1.352   7.068
    8    HE3  LYS  55           HE3      LYS  55  -8.156  -1.323   7.991
    9    HG2  LYS  55           HG2      LYS  55  -5.533   0.317   6.551
   10    HG3  LYS  55           HG3      LYS  55  -5.803   1.870   7.341
   11    HZ3  LYS  55           HZ1      LYS  55  -8.507  -2.344   5.853
   12    HZ2  LYS  55           HZ2      LYS  55  -7.907  -0.987   5.048
   13    HZ1  LYS  55           HZ3      LYS  55  -9.360  -0.881   5.919

  No H/Q in entry =          13
  In of MODEL    3
    1    H    LYS  56           H        LYS  56  -5.420   1.335   2.229
    2    HA   LYS  56           HA       LYS  56  -7.001   3.429   1.126
    3    HB2  LYS  56           HB2      LYS  56  -4.452   2.975   0.926
    4    HB3  LYS  56           HB3      LYS  56  -4.902   1.925  -0.408
    5    HD2  LYS  56           HD2      LYS  56  -4.115   5.149   0.642
    6    HD3  LYS  56           HD3      LYS  56  -4.670   6.054  -0.763
    7    HE2  LYS  56           HE2      LYS  56  -6.512   4.983   1.363
    8    HE3  LYS  56           HE3      LYS  56  -5.819   6.602   1.401
    9    HG2  LYS  56           HG2      LYS  56  -4.467   3.857  -1.534
   10    HG3  LYS  56           HG3      LYS  56  -6.193   4.056  -1.235
   11    HZ1  LYS  56           HZ1      LYS  56  -6.872   7.027  -0.763
   12    HZ3  LYS  56           HZ2      LYS  56  -8.007   6.676   0.449
   13    HZ2  LYS  56           HZ3      LYS  56  -7.608   5.499  -0.702

  No H/Q in entry =          13
  In of MODEL    3
    1    H    GLY  57           H        GLY  57  -6.776   0.000   0.603
    2    HA3  GLY  57           HA2      GLY  57  -9.008  -0.869  -0.196
    3    HA2  GLY  57           HA3      GLY  57  -8.779   0.228  -1.551

  No H/Q in entry =           3
  In of MODEL    3
    1    H    LEU  58           H        LEU  58  -7.024  -2.374   0.150
    2    HA   LEU  58           HA       LEU  58  -6.630  -3.815  -2.307
    3    HB2  LEU  58           HB2      LEU  58  -4.861  -1.958  -2.250
    4    HB3  LEU  58           HB3      LEU  58  -4.150  -2.832  -0.906
    5   HD13  LEU  58          HD11      LEU  58  -5.621  -4.137  -4.098
    6   HD12  LEU  58          HD12      LEU  58  -4.041  -4.376  -4.845
    7   HD11  LEU  58          HD13      LEU  58  -4.622  -2.745  -4.514
    8   HD21  LEU  58          HD21      LEU  58  -2.092  -3.389  -1.850
    9   HD23  LEU  58          HD22      LEU  58  -2.431  -2.410  -3.279
   10   HD22  LEU  58          HD23      LEU  58  -1.958  -4.105  -3.457
   11    HG   LEU  58           HG       LEU  58  -4.005  -4.839  -2.438

  No H/Q in entry =          11
  In of MODEL    3
    1    H    THR  59           H        THR  59  -5.675  -5.931  -1.929
    2    HA   THR  59           HA       THR  59  -6.012  -6.785   0.851
    3    HB   THR  59           HB       THR  59  -6.287  -8.986   0.102
    4    HG1  THR  59           HG1      THR  59  -5.310  -8.326  -2.492
    5   HG22  THR  59          HG21      THR  59  -7.855  -8.913  -1.797
    6   HG21  THR  59          HG22      THR  59  -7.355  -7.255  -2.132
    7   HG23  THR  59          HG23      THR  59  -8.179  -7.639  -0.622

  No H/Q in entry =           7
  In of MODEL    3
    1    H    ASP  60           H        ASP  60  -4.401  -8.397   1.705
    2    HA   ASP  60           HA       ASP  60  -1.833  -7.324   1.712
    3    HB2  ASP  60           HB2      ASP  60  -2.870 -10.023   2.531
    4    HB3  ASP  60           HB3      ASP  60  -1.157  -9.632   2.647

  No H/Q in entry =           4
  In of MODEL    3
    1    H    GLU  61           H        GLU  61  -3.172  -9.888  -0.289
    2    HA   GLU  61           HA       GLU  61  -0.867 -10.957  -1.372
    3    HB2  GLU  61           HB2      GLU  61  -2.977 -11.961  -1.865
    4    HB3  GLU  61           HB3      GLU  61  -3.565 -10.490  -2.629
    5    HG2  GLU  61           HG2      GLU  61  -1.911 -10.743  -4.402
    6    HG3  GLU  61           HG3      GLU  61  -1.332 -12.233  -3.648

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLU  62           H        GLU  62  -2.736  -8.182  -2.590
    2    HA   GLU  62           HA       GLU  62  -0.933  -7.767  -4.753
    3    HB2  GLU  62           HB2      GLU  62  -3.116  -5.999  -3.668
    4    HB3  GLU  62           HB3      GLU  62  -2.174  -5.629  -5.103
    5    HG2  GLU  62           HG2      GLU  62  -4.073  -6.544  -6.000
    6    HG3  GLU  62           HG3      GLU  62  -3.002  -7.943  -5.931

  No H/Q in entry =           6
  In of MODEL    3
    1    H    ILE  63           H        ILE  63  -1.031  -6.637  -1.441
    2    HA   ILE  63           HA       ILE  63   0.529  -4.319  -1.876
    3    HB   ILE  63           HB       ILE  63   0.909  -4.110   0.416
    4   HD12  ILE  63          HD11      ILE  63   1.089  -6.749   3.048
    5   HD11  ILE  63          HD12      ILE  63  -0.293  -5.691   2.758
    6   HD13  ILE  63          HD13      ILE  63   1.342  -5.030   2.751
    7   HG12  ILE  63          HG12      ILE  63   0.247  -7.034   0.800
    8   HG13  ILE  63          HG13      ILE  63   1.877  -6.368   0.790
    9   HG21  ILE  63          HG21      ILE  63  -1.697  -5.574   0.067
   10   HG23  ILE  63          HG22      ILE  63  -1.414  -3.846  -0.146
   11   HG22  ILE  63          HG23      ILE  63  -1.274  -4.571   1.455

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ASP  64           H        ASP  64   1.506  -7.716  -1.218
    2    HA   ASP  64           HA       ASP  64   4.294  -7.029  -1.371
    3    HB2  ASP  64           HB2      ASP  64   3.369  -9.744  -2.197
    4    HB3  ASP  64           HB3      ASP  64   4.855  -9.280  -1.423

  No H/Q in entry =           4
  In of MODEL    3
    1    H    MET  65           H        MET  65   1.791  -7.856  -3.693
    2    HA   MET  65           HA       MET  65   3.438  -8.350  -5.905
    3    HB2  MET  65           HB2      MET  65   1.001  -8.724  -5.920
    4    HB3  MET  65           HB3      MET  65   0.735  -6.990  -5.874
    5    HE2  MET  65           HE1      MET  65   3.989  -9.093  -7.146
    6    HE1  MET  65           HE2      MET  65   4.187  -8.221  -8.667
    7    HE3  MET  65           HE3      MET  65   4.305  -9.980  -8.638
    8    HG2  MET  65           HG2      MET  65   0.409  -7.561  -8.098
    9    HG3  MET  65           HG3      MET  65   2.041  -6.903  -8.063

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ALA  66           H        ALA  66   2.118  -5.314  -4.657
    2    HA   ALA  66           HA       ALA  66   3.380  -3.658  -6.591
    3    HB1  ALA  66           HB1      ALA  66   2.340  -2.953  -3.850
    4    HB3  ALA  66           HB2      ALA  66   1.414  -2.927  -5.350
    5    HB2  ALA  66           HB3      ALA  66   2.756  -1.806  -5.122

  No H/Q in entry =           5
  In of MODEL    3
    1    H    PHE  67           H        PHE  67   4.187  -4.478  -3.216
    2    HA   PHE  67           HA       PHE  67   6.508  -2.874  -3.114
    3    HB2  PHE  67           HB2      PHE  67   5.411  -5.076  -1.414
    4    HB3  PHE  67           HB3      PHE  67   7.066  -4.536  -1.149
    5    HD1  PHE  67           HD1      PHE  67   6.734  -1.642  -1.751
    6    HD2  PHE  67           HD2      PHE  67   4.312  -4.292   0.559
    7    HE1  PHE  67           HE1      PHE  67   5.951   0.259  -0.415
    8    HE2  PHE  67           HE2      PHE  67   3.539  -2.386   1.907
    9    HZ   PHE  67           HZ       PHE  67   4.367  -0.113   1.432

  No H/Q in entry =           9
  In of MODEL    3
    1    H    GLN  68           H        GLN  68   5.982  -6.167  -4.163
    2    HA   GLN  68           HA       GLN  68   8.686  -6.967  -4.199
    3    HB2  GLN  68           HB2      GLN  68   6.744  -8.522  -4.319
    4    HB3  GLN  68           HB3      GLN  68   6.452  -7.971  -5.961
    5   HE21  GLN  68          HE21      GLN  68  10.527  -8.350  -5.429
    6   HE22  GLN  68          HE22      GLN  68  11.057  -9.322  -4.096
    7    HG2  GLN  68           HG2      GLN  68   7.597 -10.062  -6.041
    8    HG3  GLN  68           HG3      GLN  68   8.693  -8.799  -6.595

  No H/Q in entry =           8
  In of MODEL    3
    1    H    GLN  69           H        GLN  69   6.507  -5.593  -6.606
    2    HA   GLN  69           HA       GLN  69   8.372  -5.555  -8.754
    3    HB2  GLN  69           HB2      GLN  69   5.911  -5.539  -9.047
    4    HB3  GLN  69           HB3      GLN  69   5.854  -3.927  -8.352
    5   HE21  GLN  69          HE21      GLN  69   4.399  -5.077 -10.024
    6   HE22  GLN  69          HE22      GLN  69   3.431  -4.118 -11.094
    7    HG2  GLN  69           HG2      GLN  69   7.272  -3.124 -10.211
    8    HG3  GLN  69           HG3      GLN  69   7.179  -4.731 -10.929

  No H/Q in entry =           8
  In of MODEL    3
    1    H    SER  70           H        SER  70   7.587  -3.381  -6.152
    2    HA   SER  70           HA       SER  70   8.872  -1.080  -7.238
    3    HB2  SER  70           HB2      SER  70   7.107  -1.056  -5.442
    4    HB3  SER  70           HB3      SER  70   8.315  -1.691  -4.326
    5    HG   SER  70           HG       SER  70   8.125   0.837  -5.507

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLY  71           H        GLY  71  10.009  -3.964  -5.849
    2    HA3  GLY  71           HA2      GLY  71  12.274  -4.604  -5.843
    3    HA2  GLY  71           HA3      GLY  71  12.732  -2.907  -5.859

  No H/Q in entry =           3
  In of MODEL    3
    1    H    THR  72           H        THR  72  10.401  -3.037  -3.630
    2    HA   THR  72           HA       THR  72  12.292  -2.864  -1.470
    3    HB   THR  72           HB       THR  72  10.183  -2.419  -0.105
    4    HG1  THR  72           HG1      THR  72   8.945  -3.455  -2.042
    5   HG23  THR  72          HG21      THR  72   9.917  -0.171  -1.005
    6   HG22  THR  72          HG22      THR  72  10.697  -0.670  -2.506
    7   HG21  THR  72          HG23      THR  72  11.619  -0.636  -1.002

  No H/Q in entry =           7
  In of MODEL    3
    1    H    ALA  73           H        ALA  73  12.886  -5.190  -1.887
    2    HA   ALA  73           HA       ALA  73  11.067  -7.158  -0.776
    3    HB2  ALA  73           HB1      ALA  73  12.799  -8.779  -1.365
    4    HB3  ALA  73           HB2      ALA  73  13.883  -7.462  -1.812
    5    HB1  ALA  73           HB3      ALA  73  12.407  -7.740  -2.734

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ALA  74           H        ALA  74  11.439  -5.423   1.145
    2    HA   ALA  74           HA       ALA  74  13.272  -6.748   3.020
    3    HB3  ALA  74           HB1      ALA  74  13.855  -4.575   3.986
    4    HB1  ALA  74           HB2      ALA  74  12.886  -3.766   2.753
    5    HB2  ALA  74           HB3      ALA  74  14.329  -4.668   2.289

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ASP  75           H        ASP  75  12.265  -7.407   4.776
    2    HA   ASP  75           HA       ASP  75  10.804  -7.598   6.505
    3    HB2  ASP  75           HB2      ASP  75  11.079  -5.142   6.791
    4    HB3  ASP  75           HB3      ASP  75   9.738  -4.883   5.683

  No H/Q in entry =           4
  In of MODEL    3
    1    H    GLU  76           H        GLU  76   8.938  -8.722   6.674
    2    HA   GLU  76           HA       GLU  76   7.656  -9.429   4.237
    3    HB2  GLU  76           HB2      GLU  76   7.080 -10.251   7.091
    4    HB3  GLU  76           HB3      GLU  76   6.360 -10.985   5.663
    5    HG2  GLU  76           HG2      GLU  76   8.485 -11.802   4.934
    6    HG3  GLU  76           HG3      GLU  76   9.317 -10.918   6.212

  No H/Q in entry =           6
  In of MODEL    3
    1    HA   PRO  77           HA       PRO  77   4.557  -6.214   4.527
    2    HB2  PRO  77           HB2      PRO  77   3.458  -7.682   2.202
    3    HB3  PRO  77           HB3      PRO  77   3.918  -5.983   2.347
    4    HD2  PRO  77           HD2      PRO  77   5.812  -9.338   2.536
    5    HD3  PRO  77           HD3      PRO  77   7.229  -8.300   2.806
    6    HG2  PRO  77           HG2      PRO  77   5.422  -7.676   0.946
    7    HG3  PRO  77           HG3      PRO  77   6.164  -6.415   1.951

  No H/Q in entry =           7
  In of MODEL    3
    1    H    SER  78           H        SER  78   4.255  -9.551   4.913
    2    HA   SER  78           HA       SER  78   1.390  -9.645   5.145
    3    HB2  SER  78           HB2      SER  78   3.510 -11.620   6.031
    4    HB3  SER  78           HB3      SER  78   1.775 -11.932   6.023
    5    HG   SER  78           HG       SER  78   2.158 -11.137   3.637

  No H/Q in entry =           5
  In of MODEL    3
    1    H    SER  79           H        SER  79   0.736  -8.164   6.591
    2    HA   SER  79           HA       SER  79   2.084  -7.462   8.955
    3    HB2  SER  79           HB2      SER  79  -0.847  -7.029   8.368
    4    HB3  SER  79           HB3      SER  79   0.212  -6.035   9.373
    5    HG   SER  79           HG       SER  79   1.443  -6.023   7.146

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LEU  80           H        LEU  80  -0.623  -9.651   8.362
    2    HA   LEU  80           HA       LEU  80  -0.467 -10.488  11.173
    3    HB2  LEU  80           HB2      LEU  80  -2.759 -11.176  11.077
    4    HB3  LEU  80           HB3      LEU  80  -2.655  -9.521  10.519
    5   HD11  LEU  80          HD11      LEU  80  -4.795 -11.863  10.069
    6   HD13  LEU  80          HD12      LEU  80  -5.215 -11.359   8.432
    7   HD12  LEU  80          HD13      LEU  80  -5.064 -10.157   9.714
    8   HD23  LEU  80          HD21      LEU  80  -3.396  -8.923   8.256
    9   HD22  LEU  80          HD22      LEU  80  -3.578 -10.176   7.028
   10   HD21  LEU  80          HD23      LEU  80  -1.977  -9.784   7.658
   11    HG   LEU  80           HG       LEU  80  -2.833 -11.867   8.626

  No H/Q in entry =          11
  In of MODEL    3
    1    H    TRP  81           H        TRP  81  -0.155 -12.621  11.630
    2    HA   TRP  81           HA       TRP  81   0.158 -14.411   9.316
    3    HB2  TRP  81           HB2      TRP  81   2.326 -13.548  10.458
    4    HB3  TRP  81           HB3      TRP  81   1.879 -14.628  11.776
    5    HD1  TRP  81           HD1      TRP  81   2.055 -17.262  11.322
    6    HE1  TRP  81           HE1      TRP  81   3.315 -18.618   9.532
    7    HE3  TRP  81           HE3      TRP  81   3.049 -13.500   8.009
    8    HH2  TRP  81           HH2      TRP  81   5.023 -16.314   5.476
    9    HZ2  TRP  81           HZ2      TRP  81   4.565 -18.152   7.044
   10    HZ3  TRP  81           HZ3      TRP  81   4.281 -14.035   5.947

  No H/Q in entry =          10
  In of MODEL    3
    1    H1   SER 101           H3       SER 101  -1.250  15.217   9.191
    2    H2   SER 101           H2       SER 101   0.125  14.790  10.081
    3    H3   SER 101           H1       SER 101  -0.674  16.245  10.406
    4    HA   SER 101           HA       SER 101  -0.069  17.142   8.304
    5    HB2  SER 101           HB2      SER 101   2.341  15.879   9.625
    6    HB3  SER 101           HB3      SER 101   2.310  17.367   8.678
    7    HG   SER 101           HG       SER 101   1.183  18.379  10.284

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLN 102           H        GLN 102   1.462  13.922   8.720
    2    HA   GLN 102           HA       GLN 102   2.441  13.916   6.033
    3    HB2  GLN 102           HB2      GLN 102   3.128  11.589   6.528
    4    HB3  GLN 102           HB3      GLN 102   3.665  12.738   7.746
    5   HE21  GLN 102          HE21      GLN 102   1.523   9.176   9.369
    6   HE22  GLN 102          HE22      GLN 102   3.076   8.547   9.804
    7    HG2  GLN 102           HG2      GLN 102   1.836  12.055   9.204
    8    HG3  GLN 102           HG3      GLN 102   1.285  10.913   7.983

  No H/Q in entry =           8
  In of MODEL    3
    1    H    GLU 103           H        GLU 103  -0.572  13.142   7.389
    2    HA   GLU 103           HA       GLU 103  -1.506  11.046   5.858
    3    HB2  GLU 103           HB2      GLU 103  -3.085  13.483   6.696
    4    HB3  GLU 103           HB3      GLU 103  -3.766  11.942   6.203
    5    HG2  GLU 103           HG2      GLU 103  -3.896  11.892   8.511
    6    HG3  GLU 103           HG3      GLU 103  -2.447  10.951   8.161

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LYS 104           H        LYS 104  -1.060  14.390   4.903
    2    HA   LYS 104           HA       LYS 104  -2.600  14.315   2.533
    3    HB2  LYS 104           HB2      LYS 104  -1.906  16.422   3.547
    4    HB3  LYS 104           HB3      LYS 104  -0.216  16.028   3.268
    5    HD2  LYS 104           HD2      LYS 104  -2.642  16.821  -0.107
    6    HD3  LYS 104           HD3      LYS 104  -3.071  15.540   1.024
    7    HE2  LYS 104           HE2      LYS 104  -4.639  17.351   1.244
    8    HE3  LYS 104           HE3      LYS 104  -3.645  17.265   2.699
    9    HG2  LYS 104           HG2      LYS 104  -0.991  17.627   1.633
   10    HG3  LYS 104           HG3      LYS 104  -0.609  16.094   0.850
   11    HZ1  LYS 104           HZ1      LYS 104  -2.875  19.064   0.494
   12    HZ3  LYS 104           HZ2      LYS 104  -2.529  19.190   2.150
   13    HZ2  LYS 104           HZ3      LYS 104  -4.084  19.537   1.583

  No H/Q in entry =          13
  In of MODEL    3
    1    H    PHE 105           H        PHE 105   0.734  13.501   3.253
    2    HA   PHE 105           HA       PHE 105   1.652  13.209   0.578
    3    HB2  PHE 105           HB2      PHE 105   3.137  13.553   2.530
    4    HB3  PHE 105           HB3      PHE 105   2.683  11.971   3.147
    5    HD1  PHE 105           HD1      PHE 105   4.437  13.714   0.400
    6    HD2  PHE 105           HD2      PHE 105   3.761  10.016   2.395
    7    HE1  PHE 105           HE1      PHE 105   6.279  12.695  -0.871
    8    HE2  PHE 105           HE2      PHE 105   5.606   8.994   1.135
    9    HZ   PHE 105           HZ       PHE 105   6.919  10.354  -0.441

  No H/Q in entry =           9
  In of MODEL    3
    1    H    PHE 106           H        PHE 106  -0.127  11.149   2.720
    2    HA   PHE 106           HA       PHE 106   0.460   8.791   1.132
    3    HB2  PHE 106           HB2      PHE 106  -1.256   9.178   3.591
    4    HB3  PHE 106           HB3      PHE 106  -1.003   7.630   2.792
    5    HD1  PHE 106           HD1      PHE 106   0.050   9.654   5.404
    6    HD2  PHE 106           HD2      PHE 106   1.583   7.057   2.404
    7    HE1  PHE 106           HE1      PHE 106   2.076   9.300   6.753
    8    HE2  PHE 106           HE2      PHE 106   3.614   6.697   3.745
    9    HZ   PHE 106           HZ       PHE 106   3.880   7.822   5.898

  No H/Q in entry =           9
  In of MODEL    3
    1    H    GLN 107           H        GLN 107  -2.129  11.088   1.616
    2    HA   GLN 107           HA       GLN 107  -4.025   9.394   0.217
    3    HB2  GLN 107           HB2      GLN 107  -4.301  12.072   1.571
    4    HB3  GLN 107           HB3      GLN 107  -5.618  11.278   0.719
    5   HE21  GLN 107          HE21      GLN 107  -4.468  11.868   4.408
    6   HE22  GLN 107          HE22      GLN 107  -6.041  12.285   5.002
    7    HG2  GLN 107           HG2      GLN 107  -5.494   9.385   2.225
    8    HG3  GLN 107           HG3      GLN 107  -4.123  10.118   3.056

  No H/Q in entry =           8
  In of MODEL    3
    1    H    GLU 108           H        GLU 108  -2.407  12.520  -0.302
    2    HA   GLU 108           HA       GLU 108  -3.892  13.142  -2.647
    3    HB2  GLU 108           HB2      GLU 108  -2.793  14.879  -1.307
    4    HB3  GLU 108           HB3      GLU 108  -1.219  14.213  -1.718
    5    HG2  GLU 108           HG2      GLU 108  -1.554  14.772  -4.049
    6    HG3  GLU 108           HG3      GLU 108  -3.177  15.357  -3.699

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LEU 109           H        LEU 109  -0.700  11.706  -2.108
    2    HA   LEU 109           HA       LEU 109  -0.040  11.639  -4.877
    3    HB2  LEU 109           HB2      LEU 109   1.178  10.362  -2.447
    4    HB3  LEU 109           HB3      LEU 109   1.773  10.016  -4.057
    5   HD11  LEU 109          HD11      LEU 109   0.699  13.322  -2.616
    6   HD13  LEU 109          HD12      LEU 109   2.355  13.858  -2.333
    7   HD12  LEU 109          HD13      LEU 109   1.678  12.544  -1.371
    8   HD21  LEU 109          HD21      LEU 109   3.632  11.029  -2.108
    9   HD23  LEU 109          HD22      LEU 109   4.252  12.441  -2.965
   10   HD22  LEU 109          HD23      LEU 109   4.000  10.924  -3.831
   11    HG   LEU 109           HG       LEU 109   2.212  12.475  -4.340

  No H/Q in entry =          11
  In of MODEL    3
    1    H    PHE 110           H        PHE 110  -2.239   9.847  -3.170
    2    HA   PHE 110           HA       PHE 110  -1.788   7.467  -4.823
    3    HB2  PHE 110           HB2      PHE 110  -2.148   7.439  -2.205
    4    HB3  PHE 110           HB3      PHE 110  -3.850   7.501  -2.663
    5    HD1  PHE 110           HD1      PHE 110  -4.872   5.677  -3.887
    6    HD2  PHE 110           HD2      PHE 110  -0.817   5.475  -2.624
    7    HE1  PHE 110           HE1      PHE 110  -4.881   3.251  -4.269
    8    HE2  PHE 110           HE2      PHE 110  -0.812   3.044  -3.014
    9    HZ   PHE 110           HZ       PHE 110  -2.783   1.936  -3.856

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ASP 111           H        ASP 111  -3.501  10.276  -4.916
    2    HA   ASP 111           HA       ASP 111  -6.111   9.444  -5.569
    3    HB2  ASP 111           HB2      ASP 111  -5.663  11.773  -5.039
    4    HB3  ASP 111           HB3      ASP 111  -4.631  11.926  -6.459

  No H/Q in entry =           4
  In of MODEL    3
    1    H    SER 112           H        SER 112  -3.615  10.603  -7.857
    2    HA   SER 112           HA       SER 112  -4.298   8.487  -9.685
    3    HB2  SER 112           HB2      SER 112  -4.642  10.289 -11.546
    4    HB3  SER 112           HB3      SER 112  -5.989   9.857 -10.498
    5    HG   SER 112           HG       SER 112  -5.678  11.731  -9.328

  No H/Q in entry =           5
  In of MODEL    4
    1    H1   GLY  12           H3       GLY  12 -33.574  -6.559   9.853
    2    H2   GLY  12           H2       GLY  12 -32.722  -6.149  11.262
    3    H3   GLY  12           H1       GLY  12 -34.343  -5.677  11.084
    4    HA2  GLY  12           HA2      GLY  12 -32.844  -3.816  10.716
    5    HA3  GLY  12           HA3      GLY  12 -33.769  -4.211   9.273

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ALA  13           H        ALA  13 -31.537  -2.754   8.945
    2    HA   ALA  13           HA       ALA  13 -29.886  -4.577   7.382
    3    HB3  ALA  13           HB1      ALA  13 -29.839  -1.562   7.538
    4    HB2  ALA  13           HB2      ALA  13 -30.729  -2.514   6.350
    5    HB1  ALA  13           HB3      ALA  13 -28.966  -2.559   6.374

  No H/Q in entry =           5
  In of MODEL    4
    1    H    MET  14           H        MET  14 -27.891  -5.188   7.911
    2    HA   MET  14           HA       MET  14 -26.926  -4.776  10.526
    3    HB2  MET  14           HB2      MET  14 -24.962  -6.052   9.819
    4    HB3  MET  14           HB3      MET  14 -26.446  -6.822   9.286
    5    HE2  MET  14           HE1      MET  14 -24.873  -6.932   4.962
    6    HE1  MET  14           HE2      MET  14 -25.039  -5.177   4.917
    7    HE3  MET  14           HE3      MET  14 -26.227  -6.196   4.104
    8    HG2  MET  14           HG2      MET  14 -24.712  -5.100   7.528
    9    HG3  MET  14           HG3      MET  14 -24.591  -6.855   7.628

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ALA  15           H        ALA  15 -25.840  -3.131  11.350
    2    HA   ALA  15           HA       ALA  15 -24.711  -1.109   9.612
    3    HB1  ALA  15           HB1      ALA  15 -24.778  -1.236  12.626
    4    HB2  ALA  15           HB2      ALA  15 -25.990  -0.456  11.608
    5    HB3  ALA  15           HB3      ALA  15 -24.339   0.164  11.649

  No H/Q in entry =           5
  In of MODEL    4
    1    H    THR  16           H        THR  16 -22.926  -2.017   8.659
    2    HA   THR  16           HA       THR  16 -20.774  -2.873  10.472
    3    HB   THR  16           HB       THR  16 -21.520  -4.697   9.027
    4    HG1  THR  16           HG1      THR  16 -19.356  -4.854   7.796
    5   HG21  THR  16          HG21      THR  16 -22.391  -3.387   7.147
    6   HG23  THR  16          HG22      THR  16 -21.239  -4.604   6.595
    7   HG22  THR  16          HG23      THR  16 -20.751  -2.913   6.711

  No H/Q in entry =           7
  In of MODEL    4
    1    HA   PRO  17           HA       PRO  17 -18.551   0.704   9.044
    2    HB2  PRO  17           HB2      PRO  17 -16.143  -0.595  10.079
    3    HB3  PRO  17           HB3      PRO  17 -16.959   0.860  10.655
    4    HD2  PRO  17           HD2      PRO  17 -18.022  -2.863  10.546
    5    HD3  PRO  17           HD3      PRO  17 -19.434  -2.239  11.427
    6    HG2  PRO  17           HG2      PRO  17 -16.964  -1.449  12.058
    7    HG3  PRO  17           HG3      PRO  17 -18.325  -0.311  12.091

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLY  18           H        GLY  18 -18.839   0.048   6.794
    2    HA3  GLY  18           HA2      GLY  18 -16.458  -1.268   5.653
    3    HA2  GLY  18           HA3      GLY  18 -18.023  -1.150   4.860

  No H/Q in entry =           3
  In of MODEL    4
    1    H    SER  19           H        SER  19 -17.738   0.041   3.098
    2    HA   SER  19           HA       SER  19 -17.234   1.768   1.715
    3    HB2  SER  19           HB2      SER  19 -17.103   3.415   4.250
    4    HB3  SER  19           HB3      SER  19 -17.382   4.016   2.616
    5    HG   SER  19           HG       SER  19 -19.097   2.576   4.318

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLU  20           H        GLU  20 -15.111   0.133   2.781
    2    HA   GLU  20           HA       GLU  20 -12.848   1.965   2.984
    3    HB2  GLU  20           HB2      GLU  20 -11.700  -0.470   3.120
    4    HB3  GLU  20           HB3      GLU  20 -12.339   0.379   4.507
    5    HG2  GLU  20           HG2      GLU  20 -12.946  -1.992   4.421
    6    HG3  GLU  20           HG3      GLU  20 -14.307  -0.892   4.470

  No H/Q in entry =           6
  In of MODEL    4
    1    H    ASN  21           H        ASN  21 -14.368  -0.179   0.745
    2    HA   ASN  21           HA       ASN  21 -13.951  -0.778  -1.403
    3    HB2  ASN  21           HB2      ASN  21 -13.906   1.795  -1.524
    4    HB3  ASN  21           HB3      ASN  21 -12.156   1.637  -1.626
    5   HD21  ASN  21          HD21      ASN  21 -13.948   2.739  -3.576
    6   HD22  ASN  21          HD22      ASN  21 -13.766   1.795  -5.020

  No H/Q in entry =           6
  In of MODEL    4
    1    H    VAL  22           H        VAL  22 -12.499  -2.290   0.209
    2    HA   VAL  22           HA       VAL  22  -9.704  -2.237  -0.594
    3    HB   VAL  22           HB       VAL  22 -10.661  -3.032   1.694
    4   HG12  VAL  22          HG11      VAL  22 -11.080  -5.456   1.816
    5   HG11  VAL  22          HG12      VAL  22 -11.032  -5.536   0.052
    6   HG13  VAL  22          HG13      VAL  22 -12.297  -4.607   0.862
    7   HG22  VAL  22          HG21      VAL  22  -8.790  -4.553   2.017
    8   HG21  VAL  22          HG22      VAL  22  -8.298  -3.160   1.055
    9   HG23  VAL  22          HG23      VAL  22  -8.600  -4.711   0.272

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LEU  23           H        LEU  23 -12.154  -2.752  -2.391
    2    HA   LEU  23           HA       LEU  23 -12.273  -5.409  -3.204
    3    HB2  LEU  23           HB2      LEU  23 -13.940  -3.708  -3.800
    4    HB3  LEU  23           HB3      LEU  23 -12.765  -2.917  -4.834
    5   HD11  LEU  23          HD11      LEU  23 -14.894  -5.920  -4.466
    6   HD13  LEU  23          HD12      LEU  23 -13.279  -6.606  -4.633
    7   HD12  LEU  23          HD13      LEU  23 -14.404  -6.659  -5.990
    8   HD21  LEU  23          HD21      LEU  23 -14.216  -3.076  -6.800
    9   HD23  LEU  23          HD22      LEU  23 -15.466  -3.811  -5.797
   10   HD22  LEU  23          HD23      LEU  23 -14.920  -4.625  -7.264
   11    HG   LEU  23           HG       LEU  23 -12.705  -4.917  -6.281

  No H/Q in entry =          11
  In of MODEL    4
    1    HA   PRO  24           HA       PRO  24  -8.085  -5.852  -4.759
    2    HB2  PRO  24           HB2      PRO  24  -9.478  -8.302  -5.755
    3    HB3  PRO  24           HB3      PRO  24  -7.899  -8.155  -4.977
    4    HD2  PRO  24           HD2      PRO  24 -11.580  -7.435  -3.975
    5    HD3  PRO  24           HD3      PRO  24 -10.807  -6.697  -2.556
    6    HG2  PRO  24           HG2      PRO  24  -9.960  -9.036  -3.594
    7    HG3  PRO  24           HG3      PRO  24  -8.843  -7.866  -2.861

  No H/Q in entry =           7
  In of MODEL    4
    1    H    ARG  25           H        ARG  25  -7.805  -4.448  -6.399
    2    HA   ARG  25           HA       ARG  25  -8.668  -5.314  -9.065
    3    HB2  ARG  25           HB2      ARG  25  -8.893  -2.484  -8.007
    4    HB3  ARG  25           HB3      ARG  25  -9.094  -2.937  -9.693
    5    HD2  ARG  25           HD2      ARG  25 -12.564  -2.531  -8.550
    6    HD3  ARG  25           HD3      ARG  25 -11.186  -1.464  -8.288
    7    HE   ARG  25           HE       ARG  25 -10.773  -2.533 -10.779
    8    HG2  ARG  25           HG2      ARG  25 -10.995  -4.384  -9.013
    9    HG3  ARG  25           HG3      ARG  25 -10.840  -3.738  -7.379
   10   HH11  ARG  25          HH11      ARG  25 -13.360  -0.706  -9.264
   11   HH12  ARG  25          HH12      ARG  25 -13.891   0.007 -10.760
   12   HH21  ARG  25          HH21      ARG  25 -11.459  -1.574 -12.729
   13   HH22  ARG  25          HH22      ARG  25 -12.808  -0.480 -12.724

  No H/Q in entry =          13
  In of MODEL    4
    1    H    GLU  26           H        GLU  26  -7.066  -5.307 -10.473
    2    HA   GLU  26           HA       GLU  26  -4.429  -5.004  -9.661
    3    HB2  GLU  26           HB2      GLU  26  -5.550  -5.071 -12.453
    4    HB3  GLU  26           HB3      GLU  26  -3.843  -5.230 -12.059
    5    HG2  GLU  26           HG2      GLU  26  -4.530  -7.199 -10.602
    6    HG3  GLU  26           HG3      GLU  26  -6.088  -7.109 -11.421

  No H/Q in entry =           6
  In of MODEL    4
    1    HA   PRO  27           HA       PRO  27  -4.541  -0.580 -12.009
    2    HB2  PRO  27           HB2      PRO  27  -6.784   0.644 -10.792
    3    HB3  PRO  27           HB3      PRO  27  -6.562   0.296 -12.508
    4    HD2  PRO  27           HD2      PRO  27  -7.344  -3.318 -11.156
    5    HD3  PRO  27           HD3      PRO  27  -6.815  -2.702 -12.736
    6    HG2  PRO  27           HG2      PRO  27  -8.031  -1.223 -10.432
    7    HG3  PRO  27           HG3      PRO  27  -8.371  -1.070 -12.164

  No H/Q in entry =           7
  In of MODEL    4
    1    H    LEU  28           H        LEU  28  -5.676  -1.566  -8.814
    2    HA   LEU  28           HA       LEU  28  -4.723   0.692  -7.393
    3    HB2  LEU  28           HB2      LEU  28  -5.600  -2.054  -6.661
    4    HB3  LEU  28           HB3      LEU  28  -4.644  -1.172  -5.487
    5   HD12  LEU  28          HD11      LEU  28  -5.817   1.632  -6.103
    6   HD11  LEU  28          HD12      LEU  28  -5.487   0.933  -4.518
    7   HD13  LEU  28          HD13      LEU  28  -7.110   1.505  -4.909
    8   HD21  LEU  28          HD21      LEU  28  -7.178   0.273  -7.794
    9   HD23  LEU  28          HD22      LEU  28  -8.467   0.319  -6.590
   10   HD22  LEU  28          HD23      LEU  28  -7.926  -1.228  -7.246
   11    HG   LEU  28           HG       LEU  28  -7.014  -0.914  -5.026

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ILE  29           H        ILE  29  -3.231  -2.264  -8.488
    2    HA   ILE  29           HA       ILE  29  -0.862  -2.150  -6.968
    3    HB   ILE  29           HB       ILE  29  -1.183  -3.206  -9.789
    4   HD12  ILE  29          HD11      ILE  29  -1.706  -3.896  -6.132
    5   HD11  ILE  29          HD12      ILE  29  -0.459  -5.053  -6.596
    6   HD13  ILE  29          HD13      ILE  29  -2.126  -5.590  -6.387
    7   HG12  ILE  29          HG12      ILE  29  -2.813  -4.223  -8.268
    8   HG13  ILE  29          HG13      ILE  29  -1.584  -5.392  -8.738
    9   HG21  ILE  29          HG21      ILE  29   1.145  -2.921  -9.132
   10   HG23  ILE  29          HG22      ILE  29   0.730  -4.630  -9.251
   11   HG22  ILE  29          HG23      ILE  29   0.860  -3.863  -7.668

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ALA  30           H        ALA  30  -1.772  -0.744 -10.079
    2    HA   ALA  30           HA       ALA  30   0.736   0.365 -10.725
    3    HB2  ALA  30           HB1      ALA  30  -2.010   1.267 -11.579
    4    HB1  ALA  30           HB2      ALA  30  -1.025   0.041 -12.379
    5    HB3  ALA  30           HB3      ALA  30  -0.489   1.722 -12.344

  No H/Q in entry =           5
  In of MODEL    4
    1    H    THR  31           H        THR  31  -2.127   1.783  -9.141
    2    HA   THR  31           HA       THR  31  -1.060   4.345  -8.731
    3    HB   THR  31           HB       THR  31  -3.019   2.916  -6.923
    4    HG1  THR  31           HG1      THR  31  -3.453   4.432  -9.312
    5   HG21  THR  31          HG21      THR  31  -2.569   5.855  -7.477
    6   HG23  THR  31          HG22      THR  31  -2.136   5.005  -5.993
    7   HG22  THR  31          HG23      THR  31  -3.832   5.187  -6.443

  No H/Q in entry =           7
  In of MODEL    4
    1    H    ALA  32           H        ALA  32  -0.938   1.406  -6.757
    2    HA   ALA  32           HA       ALA  32   0.330   2.560  -4.528
    3    HB3  ALA  32           HB1      ALA  32   0.518  -0.299  -5.464
    4    HB1  ALA  32           HB2      ALA  32  -0.777   0.367  -4.468
    5    HB2  ALA  32           HB3      ALA  32   0.873   0.306  -3.846

  No H/Q in entry =           5
  In of MODEL    4
    1    H    VAL  33           H        VAL  33   1.671   0.911  -7.395
    2    HA   VAL  33           HA       VAL  33   4.375   1.129  -6.598
    3    HB   VAL  33           HB       VAL  33   3.173   0.919  -9.371
    4   HG12  VAL  33          HG11      VAL  33   5.410   0.246 -10.123
    5   HG11  VAL  33          HG12      VAL  33   6.055   0.627  -8.526
    6   HG13  VAL  33          HG13      VAL  33   5.387   1.910  -9.537
    7   HG22  VAL  33          HG21      VAL  33   2.732  -1.002  -7.945
    8   HG21  VAL  33          HG22      VAL  33   4.449  -1.132  -7.564
    9   HG23  VAL  33          HG23      VAL  33   3.888  -1.426  -9.209

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LYS  34           H        LYS  34   2.287   3.279  -8.500
    2    HA   LYS  34           HA       LYS  34   4.127   5.265  -9.163
    3    HB2  LYS  34           HB2      LYS  34   1.960   5.416 -10.109
    4    HB3  LYS  34           HB3      LYS  34   1.179   5.356  -8.538
    5    HD2  LYS  34           HD2      LYS  34   0.152   7.548  -7.977
    6    HD3  LYS  34           HD3      LYS  34   1.570   7.313  -6.947
    7    HE2  LYS  34           HE2      LYS  34   0.739   9.626  -6.883
    8    HE3  LYS  34           HE3      LYS  34   2.382   9.517  -7.510
    9    HG2  LYS  34           HG2      LYS  34   2.983   7.644  -9.012
   10    HG3  LYS  34           HG3      LYS  34   1.497   7.604  -9.960
   11    HZ1  LYS  34           HZ1      LYS  34  -0.065   9.777  -9.182
   12    HZ3  LYS  34           HZ2      LYS  34   1.537   9.747  -9.740
   13    HZ2  LYS  34           HZ3      LYS  34   0.996  11.041  -8.793

  No H/Q in entry =          13
  In of MODEL    4
    1    H    PHE  35           H        PHE  35   2.082   4.978  -6.313
    2    HA   PHE  35           HA       PHE  35   2.981   7.205  -4.888
    3    HB2  PHE  35           HB2      PHE  35   0.953   5.908  -4.384
    4    HB3  PHE  35           HB3      PHE  35   1.947   4.548  -3.883
    5    HD1  PHE  35           HD1      PHE  35   1.029   8.019  -3.089
    6    HD2  PHE  35           HD2      PHE  35   2.804   4.414  -1.703
    7    HE1  PHE  35           HE1      PHE  35   1.078   8.924  -0.814
    8    HE2  PHE  35           HE2      PHE  35   2.859   5.301   0.563
    9    HZ   PHE  35           HZ       PHE  35   1.936   7.504   1.060

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LEU  36           H        LEU  36   3.917   3.814  -4.575
    2    HA   LEU  36           HA       LEU  36   5.793   3.940  -2.576
    3    HB2  LEU  36           HB2      LEU  36   5.315   2.153  -4.897
    4    HB3  LEU  36           HB3      LEU  36   6.833   1.978  -4.045
    5   HD12  LEU  36          HD11      LEU  36   3.180   2.278  -3.066
    6   HD11  LEU  36          HD12      LEU  36   4.199   2.970  -1.803
    7   HD13  LEU  36          HD13      LEU  36   3.459   1.385  -1.571
    8   HD22  LEU  36          HD21      LEU  36   4.257  -0.562  -2.847
    9   HD21  LEU  36          HD22      LEU  36   5.600  -0.402  -3.979
   10   HD23  LEU  36          HD23      LEU  36   4.022   0.281  -4.377
   11    HG   LEU  36           HG       LEU  36   5.820   1.166  -2.125

  No H/Q in entry =          11
  In of MODEL    4
    1    H    GLN  37           H        GLN  37   6.488   4.055  -6.073
    2    HA   GLN  37           HA       GLN  37   9.268   4.637  -5.399
    3    HB2  GLN  37           HB2      GLN  37   8.077   3.925  -8.079
    4    HB3  GLN  37           HB3      GLN  37   9.791   4.046  -7.697
    5   HE21  GLN  37          HE21      GLN  37   7.706   1.171  -8.822
    6   HE22  GLN  37          HE22      GLN  37   9.042   0.340  -9.541
    7    HG2  GLN  37           HG2      GLN  37   9.391   2.236  -5.975
    8    HG3  GLN  37           HG3      GLN  37   7.814   2.009  -6.728

  No H/Q in entry =           8
  In of MODEL    4
    1    H    ASN  38           H        ASN  38   7.192   6.668  -5.150
    2    HA   ASN  38           HA       ASN  38   7.610   8.596  -7.198
    3    HB2  ASN  38           HB2      ASN  38   5.690   8.825  -5.743
    4    HB3  ASN  38           HB3      ASN  38   6.724   8.904  -4.322
    5   HD21  ASN  38          HD21      ASN  38   5.878  10.883  -3.708
    6   HD22  ASN  38          HD22      ASN  38   6.258  12.358  -4.531

  No H/Q in entry =           6
  In of MODEL    4
    1    H    SER  39           H        SER  39   8.842   8.507  -3.840
    2    HA   SER  39           HA       SER  39  11.495   9.158  -4.622
    3    HB2  SER  39           HB2      SER  39  11.530  11.427  -3.521
    4    HB3  SER  39           HB3      SER  39  10.627  11.363  -5.035
    5    HG   SER  39           HG       SER  39   9.448  12.478  -3.440

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ARG  40           H        ARG  40   9.406  10.003  -1.859
    2    HA   ARG  40           HA       ARG  40  11.533   9.091  -0.071
    3    HB2  ARG  40           HB2      ARG  40   9.009  10.614   0.594
    4    HB3  ARG  40           HB3      ARG  40  10.394  10.368   1.644
    5    HD2  ARG  40           HD2      ARG  40   9.066  12.980   0.773
    6    HD3  ARG  40           HD3      ARG  40  10.434  12.933   1.882
    7    HE   ARG  40           HE       ARG  40  11.327  14.218  -0.407
    8    HG2  ARG  40           HG2      ARG  40  11.768  11.754   0.252
    9    HG3  ARG  40           HG3      ARG  40  10.479  11.893  -0.948
   10   HH11  ARG  40          HH11      ARG  40   8.876  14.741   2.042
   11   HH12  ARG  40          HH12      ARG  40   8.941  16.473   1.920
   12   HH21  ARG  40          HH21      ARG  40  11.415  16.511  -0.559
   13   HH22  ARG  40          HH22      ARG  40  10.347  17.463   0.431

  No H/Q in entry =          13
  In of MODEL    4
    1    H    VAL  41           H        VAL  41   8.583   7.937  -1.253
    2    HA   VAL  41           HA       VAL  41   7.335   6.961   1.048
    3    HB   VAL  41           HB       VAL  41   7.133   5.920  -1.777
    4   HG13  VAL  41          HG11      VAL  41   6.349   4.218  -0.263
    5   HG12  VAL  41          HG12      VAL  41   4.952   5.002  -1.007
    6   HG11  VAL  41          HG13      VAL  41   5.413   5.403   0.647
    7   HG23  VAL  41          HG21      VAL  41   5.420   7.848  -0.210
    8   HG22  VAL  41          HG22      VAL  41   5.094   7.271  -1.845
    9   HG21  VAL  41          HG23      VAL  41   6.514   8.269  -1.527

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ARG  42           H        ARG  42   9.668   5.326  -1.104
    2    HA   ARG  42           HA       ARG  42   9.394   2.810   0.187
    3    HB2  ARG  42           HB2      ARG  42  11.652   3.878  -1.515
    4    HB3  ARG  42           HB3      ARG  42  11.535   2.218  -0.949
    5    HD2  ARG  42           HD2      ARG  42  11.277   1.058  -3.084
    6    HD3  ARG  42           HD3      ARG  42  10.335   1.822  -4.364
    7    HE   ARG  42           HE       ARG  42  12.386   3.542  -3.366
    8    HG2  ARG  42           HG2      ARG  42   9.316   2.099  -2.139
    9    HG3  ARG  42           HG3      ARG  42   9.736   3.644  -2.885
   10   HH11  ARG  42          HH11      ARG  42  11.816   0.800  -5.475
   11   HH12  ARG  42          HH12      ARG  42  13.180   1.136  -6.492
   12   HH21  ARG  42          HH21      ARG  42  14.182   3.993  -4.717
   13   HH22  ARG  42          HH22      ARG  42  14.519   2.947  -6.071

  No H/Q in entry =          13
  In of MODEL    4
    1    H    GLN  43           H        GLN  43  11.085   5.679   1.016
    2    HA   GLN  43           HA       GLN  43  12.793   4.280   2.923
    3    HB2  GLN  43           HB2      GLN  43  13.625   6.240   1.577
    4    HB3  GLN  43           HB3      GLN  43  12.522   7.258   2.492
    5   HE21  GLN  43          HE21      GLN  43  13.754   4.630   5.207
    6   HE22  GLN  43          HE22      GLN  43  15.096   3.595   4.861
    7    HG2  GLN  43           HG2      GLN  43  14.827   7.339   3.338
    8    HG3  GLN  43           HG3      GLN  43  13.676   6.758   4.541

  No H/Q in entry =           8
  In of MODEL    4
    1    H    SER  44           H        SER  44   9.728   5.686   2.774
    2    HA   SER  44           HA       SER  44   9.513   6.617   5.464
    3    HB2  SER  44           HB2      SER  44   7.333   5.841   3.504
    4    HB3  SER  44           HB3      SER  44   7.118   6.796   4.972
    5    HG   SER  44           HG       SER  44   9.003   7.653   3.088

  No H/Q in entry =           5
  In of MODEL    4
    1    HA   PRO  45           HA       PRO  45   8.924   3.085   7.989
    2    HB2  PRO  45           HB2      PRO  45   6.281   3.706   8.864
    3    HB3  PRO  45           HB3      PRO  45   7.800   3.993   9.712
    4    HD2  PRO  45           HD2      PRO  45   7.907   6.775   6.880
    5    HD3  PRO  45           HD3      PRO  45   9.136   6.218   8.037
    6    HG2  PRO  45           HG2      PRO  45   6.167   5.848   8.089
    7    HG3  PRO  45           HG3      PRO  45   7.277   6.197   9.426

  No H/Q in entry =           7
  In of MODEL    4
    1    H    LEU  46           H        LEU  46   8.505   1.102   7.352
    2    HA   LEU  46           HA       LEU  46   6.703   0.562   5.217
    3    HB2  LEU  46           HB2      LEU  46   8.156  -1.338   7.059
    4    HB3  LEU  46           HB3      LEU  46   7.236  -1.829   5.648
    5   HD13  LEU  46          HD11      LEU  46  11.071  -0.075   5.300
    6   HD12  LEU  46          HD12      LEU  46  10.498  -0.793   6.806
    7   HD11  LEU  46          HD13      LEU  46   9.885   0.778   6.287
    8   HD21  LEU  46          HD21      LEU  46   8.764  -2.687   4.101
    9   HD23  LEU  46          HD22      LEU  46   9.785  -2.876   5.526
   10   HD22  LEU  46          HD23      LEU  46  10.431  -2.113   4.072
   11    HG   LEU  46           HG       LEU  46   8.849  -0.272   4.339

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ALA  47           H        ALA  47   6.556   0.243   8.705
    2    HA   ALA  47           HA       ALA  47   4.238  -1.249   8.995
    3    HB3  ALA  47           HB1      ALA  47   5.104   1.096  10.685
    4    HB1  ALA  47           HB2      ALA  47   5.675  -0.564  10.861
    5    HB2  ALA  47           HB3      ALA  47   3.981  -0.178  11.161

  No H/Q in entry =           5
  In of MODEL    4
    1    H    THR  48           H        THR  48   4.586   2.263   8.541
    2    HA   THR  48           HA       THR  48   1.904   2.978   8.473
    3    HB   THR  48           HB       THR  48   4.161   4.077   6.781
    4    HG1  THR  48           HG1      THR  48   3.162   4.666   9.368
    5   HG22  THR  48          HG21      THR  48   2.737   6.106   6.596
    6   HG21  THR  48          HG22      THR  48   1.426   5.225   7.380
    7   HG23  THR  48          HG23      THR  48   2.022   4.701   5.803

  No H/Q in entry =           7
  In of MODEL    4
    1    H    ARG  49           H        ARG  49   4.011   1.935   5.818
    2    HA   ARG  49           HA       ARG  49   2.023   2.133   3.833
    3    HB2  ARG  49           HB2      ARG  49   4.704   0.802   3.957
    4    HB3  ARG  49           HB3      ARG  49   3.669   0.621   2.545
    5    HD2  ARG  49           HD2      ARG  49   5.516   1.575   1.344
    6    HD3  ARG  49           HD3      ARG  49   5.762   3.320   1.381
    7    HE   ARG  49           HE       ARG  49   6.888   2.688   3.666
    8    HG2  ARG  49           HG2      ARG  49   3.627   3.042   2.252
    9    HG3  ARG  49           HG3      ARG  49   4.639   3.236   3.682
   10   HH11  ARG  49          HH11      ARG  49   7.096   0.948   0.632
   11   HH12  ARG  49          HH12      ARG  49   8.722   0.408   0.916
   12   HH21  ARG  49          HH21      ARG  49   9.033   1.997   4.014
   13   HH22  ARG  49          HH22      ARG  49   9.815   1.001   2.819

  No H/Q in entry =          13
  In of MODEL    4
    1    H    ARG  50           H        ARG  50   2.691  -0.383   6.129
    2    HA   ARG  50           HA       ARG  50   1.397  -2.495   4.749
    3    HB2  ARG  50           HB2      ARG  50   1.626  -2.037   7.727
    4    HB3  ARG  50           HB3      ARG  50   1.149  -3.545   6.964
    5    HD2  ARG  50           HD2      ARG  50   2.901  -4.801   5.572
    6    HD3  ARG  50           HD3      ARG  50   3.230  -3.319   4.672
    7    HE   ARG  50           HE       ARG  50   5.426  -4.281   6.289
    8    HG2  ARG  50           HG2      ARG  50   3.834  -2.198   6.773
    9    HG3  ARG  50           HG3      ARG  50   3.445  -3.674   7.659
   10   HH11  ARG  50          HH11      ARG  50   3.867  -4.386   3.163
   11   HH12  ARG  50          HH12      ARG  50   5.305  -4.835   2.309
   12   HH21  ARG  50          HH21      ARG  50   7.341  -4.857   5.177
   13   HH22  ARG  50          HH22      ARG  50   7.275  -5.135   3.463

  No H/Q in entry =          13
  In of MODEL    4
    1    H    ALA  51           H        ALA  51   0.218  -0.467   7.430
    2    HA   ALA  51           HA       ALA  51  -2.490  -1.167   7.203
    3    HB2  ALA  51           HB1      ALA  51  -1.292   1.405   8.242
    4    HB1  ALA  51           HB2      ALA  51  -1.556  -0.063   9.183
    5    HB3  ALA  51           HB3      ALA  51  -2.933   0.833   8.542

  No H/Q in entry =           5
  In of MODEL    4
    1    H    PHE  52           H        PHE  52  -0.616   1.449   5.819
    2    HA   PHE  52           HA       PHE  52  -2.504   2.955   4.509
    3    HB2  PHE  52           HB2      PHE  52  -0.118   3.500   4.650
    4    HB3  PHE  52           HB3      PHE  52   0.265   2.185   3.553
    5    HD1  PHE  52           HD1      PHE  52   0.049   2.417   1.229
    6    HD2  PHE  52           HD2      PHE  52  -1.332   5.472   3.839
    7    HE1  PHE  52           HE1      PHE  52  -0.231   3.925  -0.685
    8    HE2  PHE  52           HE2      PHE  52  -1.609   6.986   1.927
    9    HZ   PHE  52           HZ       PHE  52  -0.921   6.254  -0.303

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LEU  53           H        LEU  53  -0.681   0.261   3.024
    2    HA   LEU  53           HA       LEU  53  -2.021   0.222   0.602
    3    HB2  LEU  53           HB2      LEU  53  -0.403  -1.697   2.151
    4    HB3  LEU  53           HB3      LEU  53  -1.425  -2.393   0.911
    5   HD13  LEU  53          HD11      LEU  53  -0.766  -2.296  -1.408
    6   HD12  LEU  53          HD12      LEU  53   0.309  -1.012  -1.964
    7   HD11  LEU  53          HD13      LEU  53  -1.284  -0.612  -1.321
    8   HD23  LEU  53          HD21      LEU  53   1.480   0.409  -0.394
    9   HD22  LEU  53          HD22      LEU  53   1.223   0.248   1.343
   10   HD21  LEU  53          HD23      LEU  53  -0.036   0.952   0.328
   11    HG   LEU  53           HG       LEU  53   0.950  -1.895   0.235

  No H/Q in entry =          11
  In of MODEL    4
    1    H    LYS  54           H        LYS  54  -2.867  -1.483   3.602
    2    HA   LYS  54           HA       LYS  54  -5.047  -2.921   2.485
    3    HB2  LYS  54           HB2      LYS  54  -4.178  -2.272   5.276
    4    HB3  LYS  54           HB3      LYS  54  -5.773  -2.954   5.006
    5    HD2  LYS  54           HD2      LYS  54  -2.581  -3.750   3.241
    6    HD3  LYS  54           HD3      LYS  54  -2.150  -3.702   4.951
    7    HE2  LYS  54           HE2      LYS  54  -2.619  -6.172   3.285
    8    HE3  LYS  54           HE3      LYS  54  -1.062  -5.569   3.853
    9    HG2  LYS  54           HG2      LYS  54  -4.269  -4.716   5.539
   10    HG3  LYS  54           HG3      LYS  54  -4.705  -4.852   3.841
   11    HZ2  LYS  54           HZ1      LYS  54  -1.998  -7.430   5.180
   12    HZ1  LYS  54           HZ2      LYS  54  -3.259  -6.398   5.668
   13    HZ3  LYS  54           HZ3      LYS  54  -1.660  -6.033   6.090

  No H/Q in entry =          13
  In of MODEL    4
    1    H    LYS  55           H        LYS  55  -4.750   0.232   3.990
    2    HA   LYS  55           HA       LYS  55  -7.584   0.659   4.165
    3    HB2  LYS  55           HB2      LYS  55  -5.256   2.543   4.508
    4    HB3  LYS  55           HB3      LYS  55  -6.936   2.964   4.823
    5    HD2  LYS  55           HD2      LYS  55  -7.948   0.575   6.172
    6    HD3  LYS  55           HD3      LYS  55  -7.291   0.803   7.792
    7    HE2  LYS  55           HE2      LYS  55  -8.494   2.944   6.039
    8    HE3  LYS  55           HE3      LYS  55  -9.266   2.192   7.432
    9    HG2  LYS  55           HG2      LYS  55  -5.484   0.718   6.201
   10    HG3  LYS  55           HG3      LYS  55  -5.612   2.359   6.848
   11    HZ2  LYS  55           HZ1      LYS  55  -6.846   3.914   7.447
   12    HZ1  LYS  55           HZ2      LYS  55  -7.409   3.067   8.799
   13    HZ3  LYS  55           HZ3      LYS  55  -8.366   4.283   8.099

  No H/Q in entry =          13
  In of MODEL    4
    1    H    LYS  56           H        LYS  56  -5.187   1.176   1.737
    2    HA   LYS  56           HA       LYS  56  -6.680   3.244   0.400
    3    HB2  LYS  56           HB2      LYS  56  -4.429   1.606  -0.762
    4    HB3  LYS  56           HB3      LYS  56  -5.031   3.146  -1.342
    5    HD2  LYS  56           HD2      LYS  56  -5.063   4.016   1.947
    6    HD3  LYS  56           HD3      LYS  56  -3.573   4.930   1.722
    7    HE2  LYS  56           HE2      LYS  56  -4.578   5.600  -0.538
    8    HE3  LYS  56           HE3      LYS  56  -6.104   5.008   0.127
    9    HG2  LYS  56           HG2      LYS  56  -3.352   2.567   1.059
   10    HG3  LYS  56           HG3      LYS  56  -3.046   3.677  -0.272
   11    HZ3  LYS  56           HZ1      LYS  56  -5.903   7.375   0.481
   12    HZ2  LYS  56           HZ2      LYS  56  -4.417   7.175   1.267
   13    HZ1  LYS  56           HZ3      LYS  56  -5.834   6.574   1.978

  No H/Q in entry =          13
  In of MODEL    4
    1    H    GLY  57           H        GLY  57  -6.446  -0.223   0.235
    2    HA3  GLY  57           HA2      GLY  57  -8.642  -1.159  -0.590
    3    HA2  GLY  57           HA3      GLY  57  -8.351  -0.182  -2.020

  No H/Q in entry =           3
  In of MODEL    4
    1    H    LEU  58           H        LEU  58  -5.935  -2.040  -0.241
    2    HA   LEU  58           HA       LEU  58  -5.843  -3.952  -2.465
    3    HB2  LEU  58           HB2      LEU  58  -3.475  -2.662  -1.103
    4    HB3  LEU  58           HB3      LEU  58  -3.361  -4.029  -2.192
    5   HD13  LEU  58          HD11      LEU  58  -4.898  -0.585  -2.241
    6   HD12  LEU  58          HD12      LEU  58  -3.840  -0.078  -3.559
    7   HD11  LEU  58          HD13      LEU  58  -3.155  -0.502  -1.989
    8   HD23  LEU  58          HD21      LEU  58  -1.659  -2.219  -3.190
    9   HD22  LEU  58          HD22      LEU  58  -2.406  -1.727  -4.711
   10   HD21  LEU  58          HD23      LEU  58  -2.427  -3.422  -4.225
   11    HG   LEU  58           HG       LEU  58  -4.601  -2.383  -3.850

  No H/Q in entry =          11
  In of MODEL    4
    1    H    THR  59           H        THR  59  -5.825  -6.016  -1.878
    2    HA   THR  59           HA       THR  59  -5.868  -6.693   0.923
    3    HB   THR  59           HB       THR  59  -6.039  -9.071   0.032
    4    HG1  THR  59           HG1      THR  59  -6.219  -7.646  -2.449
    5   HG22  THR  59          HG21      THR  59  -8.072  -7.047  -0.919
    6   HG21  THR  59          HG22      THR  59  -7.998  -7.758   0.693
    7   HG23  THR  59          HG23      THR  59  -8.360  -8.774  -0.703

  No H/Q in entry =           7
  In of MODEL    4
    1    H    ASP  60           H        ASP  60  -4.531  -8.887   1.418
    2    HA   ASP  60           HA       ASP  60  -1.911  -7.946   1.738
    3    HB2  ASP  60           HB2      ASP  60  -3.099 -10.686   2.111
    4    HB3  ASP  60           HB3      ASP  60  -1.410 -10.335   2.465

  No H/Q in entry =           4
  In of MODEL    4
    1    H    GLU  61           H        GLU  61  -3.244 -10.175  -0.654
    2    HA   GLU  61           HA       GLU  61  -0.765 -10.962  -1.754
    3    HB2  GLU  61           HB2      GLU  61  -2.060 -11.704  -3.698
    4    HB3  GLU  61           HB3      GLU  61  -2.810 -12.219  -2.197
    5    HG2  GLU  61           HG2      GLU  61  -4.520 -10.598  -2.394
    6    HG3  GLU  61           HG3      GLU  61  -3.681  -9.768  -3.704

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLU  62           H        GLU  62  -2.816  -8.192  -2.250
    2    HA   GLU  62           HA       GLU  62  -1.520  -7.353  -4.671
    3    HB2  GLU  62           HB2      GLU  62  -3.498  -5.945  -2.882
    4    HB3  GLU  62           HB3      GLU  62  -2.967  -5.362  -4.456
    5    HG2  GLU  62           HG2      GLU  62  -3.941  -7.256  -5.549
    6    HG3  GLU  62           HG3      GLU  62  -4.336  -7.999  -3.999

  No H/Q in entry =           6
  In of MODEL    4
    1    H    ILE  63           H        ILE  63  -1.369  -6.487  -1.249
    2    HA   ILE  63           HA       ILE  63   0.185  -4.167  -1.629
    3    HB   ILE  63           HB       ILE  63  -0.841  -4.300   0.472
    4   HD12  ILE  63          HD11      ILE  63   1.920  -3.507   2.893
    5   HD11  ILE  63          HD12      ILE  63   0.842  -4.896   3.029
    6   HD13  ILE  63          HD13      ILE  63   0.189  -3.309   2.623
    7   HG12  ILE  63          HG12      ILE  63   2.085  -4.921   0.933
    8   HG13  ILE  63          HG13      ILE  63   1.432  -3.339   0.522
    9   HG22  ILE  63          HG21      ILE  63  -0.438  -6.096   2.087
   10   HG21  ILE  63          HG22      ILE  63   0.521  -6.945   0.878
   11   HG23  ILE  63          HG23      ILE  63  -1.199  -6.671   0.606

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ASP  64           H        ASP  64   1.201  -7.581  -1.036
    2    HA   ASP  64           HA       ASP  64   3.944  -6.742  -1.336
    3    HB2  ASP  64           HB2      ASP  64   4.625  -9.034  -1.321
    4    HB3  ASP  64           HB3      ASP  64   3.484  -8.776  -0.032

  No H/Q in entry =           4
  In of MODEL    4
    1    H    MET  65           H        MET  65   1.401  -7.620  -3.513
    2    HA   MET  65           HA       MET  65   3.020  -8.300  -5.702
    3    HB2  MET  65           HB2      MET  65   0.545  -8.493  -5.709
    4    HB3  MET  65           HB3      MET  65   0.434  -6.741  -5.784
    5    HE1  MET  65           HE1      MET  65   3.266  -9.395  -6.541
    6    HE3  MET  65           HE2      MET  65   3.873  -8.633  -8.013
    7    HE2  MET  65           HE3      MET  65   3.680 -10.385  -7.941
    8    HG2  MET  65           HG2      MET  65   0.121  -7.418  -7.980
    9    HG3  MET  65           HG3      MET  65   1.807  -6.921  -7.927

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ALA  66           H        ALA  66   1.860  -5.159  -4.563
    2    HA   ALA  66           HA       ALA  66   3.247  -3.660  -6.557
    3    HB1  ALA  66           HB1      ALA  66   2.064  -2.751  -3.931
    4    HB3  ALA  66           HB2      ALA  66   1.226  -2.802  -5.482
    5    HB2  ALA  66           HB3      ALA  66   2.582  -1.699  -5.249

  No H/Q in entry =           5
  In of MODEL    4
    1    H    PHE  67           H        PHE  67   3.909  -4.529  -3.185
    2    HA   PHE  67           HA       PHE  67   6.265  -2.928  -3.029
    3    HB2  PHE  67           HB2      PHE  67   5.005  -4.975  -1.258
    4    HB3  PHE  67           HB3      PHE  67   6.678  -4.507  -0.966
    5    HD1  PHE  67           HD1      PHE  67   6.494  -1.592  -1.721
    6    HD2  PHE  67           HD2      PHE  67   3.923  -4.081   0.585
    7    HE1  PHE  67           HE1      PHE  67   5.707   0.377  -0.468
    8    HE2  PHE  67           HE2      PHE  67   3.145  -2.125   1.849
    9    HZ   PHE  67           HZ       PHE  67   4.057   0.187   1.206

  No H/Q in entry =           9
  In of MODEL    4
    1    H    GLN  68           H        GLN  68   5.638  -6.248  -3.959
    2    HA   GLN  68           HA       GLN  68   8.296  -7.163  -3.769
    3    HB2  GLN  68           HB2      GLN  68   6.080  -8.494  -4.141
    4    HB3  GLN  68           HB3      GLN  68   6.403  -8.215  -5.846
    5   HE21  GLN  68          HE21      GLN  68   6.886 -10.899  -2.997
    6   HE22  GLN  68          HE22      GLN  68   8.141 -10.721  -1.811
    7    HG2  GLN  68           HG2      GLN  68   7.234 -10.374  -5.175
    8    HG3  GLN  68           HG3      GLN  68   8.578  -9.314  -5.601

  No H/Q in entry =           8
  In of MODEL    4
    1    H    GLN  69           H        GLN  69   6.358  -5.849  -6.431
    2    HA   GLN  69           HA       GLN  69   8.412  -6.032  -8.388
    3    HB2  GLN  69           HB2      GLN  69   5.861  -4.418  -8.340
    4    HB3  GLN  69           HB3      GLN  69   6.924  -4.540  -9.733
    5   HE21  GLN  69          HE21      GLN  69   3.672  -7.518  -9.770
    6   HE22  GLN  69          HE22      GLN  69   3.101  -6.640 -11.149
    7    HG2  GLN  69           HG2      GLN  69   6.571  -7.026  -9.651
    8    HG3  GLN  69           HG3      GLN  69   5.321  -6.727  -8.442

  No H/Q in entry =           8
  In of MODEL    4
    1    H    SER  70           H        SER  70   7.486  -3.534  -6.099
    2    HA   SER  70           HA       SER  70   8.978  -1.467  -7.395
    3    HB2  SER  70           HB2      SER  70   8.679  -0.280  -5.154
    4    HB3  SER  70           HB3      SER  70   7.205  -0.716  -6.019
    5    HG   SER  70           HG       SER  70   6.747  -2.193  -4.551

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLY  71           H        GLY  71   9.907  -4.146  -5.596
    2    HA3  GLY  71           HA2      GLY  71  12.104  -4.857  -5.346
    3    HA2  GLY  71           HA3      GLY  71  12.649  -3.232  -5.728

  No H/Q in entry =           3
  In of MODEL    4
    1    H    THR  72           H        THR  72  10.275  -3.765  -3.235
    2    HA   THR  72           HA       THR  72  12.061  -2.637  -1.282
    3    HB   THR  72           HB       THR  72  10.176  -2.908   0.308
    4    HG1  THR  72           HG1      THR  72   8.709  -3.899  -1.931
    5   HG22  THR  72          HG21      THR  72   8.615  -1.359  -0.813
    6   HG21  THR  72          HG22      THR  72   9.449  -1.653  -2.340
    7   HG23  THR  72          HG23      THR  72  10.300  -0.874  -1.004

  No H/Q in entry =           7
  In of MODEL    4
    1    H    ALA  73           H        ALA  73  10.047  -5.557  -0.960
    2    HA   ALA  73           HA       ALA  73  10.454  -7.621  -0.095
    3    HB2  ALA  73           HB1      ALA  73  13.152  -7.204  -1.375
    4    HB1  ALA  73           HB2      ALA  73  11.702  -7.787  -2.192
    5    HB3  ALA  73           HB3      ALA  73  12.446  -8.754  -0.919

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ALA  74           H        ALA  74  10.801  -5.588   1.780
    2    HA   ALA  74           HA       ALA  74  13.173  -6.269   3.313
    3    HB2  ALA  74           HB1      ALA  74  10.924  -4.375   3.978
    4    HB1  ALA  74           HB2      ALA  74  12.438  -3.933   3.188
    5    HB3  ALA  74           HB3      ALA  74  12.452  -4.530   4.848

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ASP  75           H        ASP  75   9.656  -6.478   3.606
    2    HA   ASP  75           HA       ASP  75   9.808  -8.950   5.043
    3    HB2  ASP  75           HB2      ASP  75   8.736  -8.257   7.090
    4    HB3  ASP  75           HB3      ASP  75  10.154  -7.238   6.864

  No H/Q in entry =           4
  In of MODEL    4
    1    H    GLU  76           H        GLU  76   7.435  -9.528   5.742
    2    HA   GLU  76           HA       GLU  76   5.804  -8.981   3.376
    3    HB2  GLU  76           HB2      GLU  76   5.630 -11.203   5.422
    4    HB3  GLU  76           HB3      GLU  76   4.570 -11.032   4.026
    5    HG2  GLU  76           HG2      GLU  76   6.517 -11.229   2.543
    6    HG3  GLU  76           HG3      GLU  76   7.552 -11.452   3.951

  No H/Q in entry =           6
  In of MODEL    4
    1    HA   PRO  77           HA       PRO  77   3.031  -6.413   5.374
    2    HB2  PRO  77           HB2      PRO  77   0.732  -7.528   3.964
    3    HB3  PRO  77           HB3      PRO  77   1.566  -5.992   3.700
    4    HD2  PRO  77           HD2      PRO  77   2.656  -9.676   3.273
    5    HD3  PRO  77           HD3      PRO  77   4.115  -8.930   2.581
    6    HG2  PRO  77           HG2      PRO  77   1.699  -8.027   1.933
    7    HG3  PRO  77           HG3      PRO  77   3.046  -6.904   2.195

  No H/Q in entry =           7
  In of MODEL    4
    1    H    SER  78           H        SER  78   3.278  -9.004   6.830
    2    HA   SER  78           HA       SER  78   2.344 -10.082   8.596
    3    HB2  SER  78           HB2      SER  78   0.603  -7.615   8.762
    4    HB3  SER  78           HB3      SER  78   0.912  -8.766  10.063
    5    HG   SER  78           HG       SER  78   3.270  -8.127   9.405

  No H/Q in entry =           5
  In of MODEL    4
    1    H    SER  79           H        SER  79   1.308 -10.817   6.100
    2    HA   SER  79           HA       SER  79  -1.521 -10.989   6.126
    3    HB2  SER  79           HB2      SER  79  -1.014 -12.908   4.456
    4    HB3  SER  79           HB3      SER  79  -0.526 -11.271   4.014
    5    HG   SER  79           HG       SER  79   1.033 -13.219   3.903

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LEU  80           H        LEU  80   1.070 -12.933   7.400
    2    HA   LEU  80           HA       LEU  80  -0.922 -14.528   8.836
    3    HB2  LEU  80           HB2      LEU  80   0.644 -16.468   8.693
    4    HB3  LEU  80           HB3      LEU  80  -0.100 -16.013   7.176
    5   HD11  LEU  80          HD11      LEU  80   3.051 -15.029   9.019
    6   HD13  LEU  80          HD12      LEU  80   4.075 -15.777   7.793
    7   HD12  LEU  80          HD13      LEU  80   3.013 -16.776   8.786
    8   HD23  LEU  80          HD21      LEU  80   3.100 -16.701   5.748
    9   HD22  LEU  80          HD22      LEU  80   1.372 -16.558   5.427
   10   HD21  LEU  80          HD23      LEU  80   1.952 -17.706   6.633
   11    HG   LEU  80           HG       LEU  80   2.131 -14.702   6.786

  No H/Q in entry =          11
  In of MODEL    4
    1    H    TRP  81           H        TRP  81  -0.335 -15.180  10.911
    2    HA   TRP  81           HA       TRP  81   2.000 -13.778  12.042
    3    HB2  TRP  81           HB2      TRP  81  -0.697 -14.218  13.354
    4    HB3  TRP  81           HB3      TRP  81   0.705 -13.498  14.134
    5    HD1  TRP  81           HD1      TRP  81  -1.900 -12.752  11.407
    6    HE1  TRP  81           HE1      TRP  81  -2.023 -10.206  11.077
    7    HE3  TRP  81           HE3      TRP  81   1.981 -11.366  14.431
    8    HH2  TRP  81           HH2      TRP  81   1.221  -7.281  13.447
    9    HZ2  TRP  81           HZ2      TRP  81  -0.650  -7.908  11.985
   10    HZ3  TRP  81           HZ3      TRP  81   2.512  -8.975  14.648

  No H/Q in entry =          10
  In of MODEL    4
    1    H1   SER 101           H2       SER 101   4.381  16.404   7.332
    2    H2   SER 101           H1       SER 101   5.029  16.866   5.837
    3    H3   SER 101           H3       SER 101   4.252  18.010   6.815
    4    HA   SER 101           HA       SER 101   2.162  16.933   6.534
    5    HB2  SER 101           HB2      SER 101   1.991  17.188   3.994
    6    HB3  SER 101           HB3      SER 101   2.595  18.584   4.887
    7    HG   SER 101           HG       SER 101   4.152  18.441   3.463

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLN 102           H        GLN 102   3.004  14.716   7.423
    2    HA   GLN 102           HA       GLN 102   3.580  12.658   5.555
    3    HB2  GLN 102           HB2      GLN 102   2.451  12.497   8.354
    4    HB3  GLN 102           HB3      GLN 102   3.014  11.120   7.423
    5   HE21  GLN 102          HE21      GLN 102   5.809  13.666   6.352
    6   HE22  GLN 102          HE22      GLN 102   6.836  12.431   5.716
    7    HG2  GLN 102           HG2      GLN 102   4.712  13.448   8.280
    8    HG3  GLN 102           HG3      GLN 102   4.651  11.879   9.077

  No H/Q in entry =           8
  In of MODEL    4
    1    H    GLU 103           H        GLU 103   0.593  13.576   7.254
    2    HA   GLU 103           HA       GLU 103  -1.030  11.523   6.249
    3    HB2  GLU 103           HB2      GLU 103  -1.431  13.267   8.142
    4    HB3  GLU 103           HB3      GLU 103  -2.096  14.264   6.854
    5    HG2  GLU 103           HG2      GLU 103  -3.929  13.183   7.818
    6    HG3  GLU 103           HG3      GLU 103  -3.611  12.308   6.318

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LYS 104           H        LYS 104  -0.440  14.803   5.079
    2    HA   LYS 104           HA       LYS 104  -2.268  14.851   2.959
    3    HB2  LYS 104           HB2      LYS 104  -0.965  16.767   4.001
    4    HB3  LYS 104           HB3      LYS 104   0.407  16.252   3.037
    5    HD2  LYS 104           HD2      LYS 104  -1.008  18.904   3.101
    6    HD3  LYS 104           HD3      LYS 104   0.341  18.635   2.000
    7    HE2  LYS 104           HE2      LYS 104  -2.446  19.386   1.136
    8    HE3  LYS 104           HE3      LYS 104  -1.131  20.536   1.364
    9    HG2  LYS 104           HG2      LYS 104  -0.757  16.754   1.002
   10    HG3  LYS 104           HG3      LYS 104  -2.248  17.092   1.890
   11    HZ1  LYS 104           HZ1      LYS 104   0.132  19.214  -0.319
   12    HZ3  LYS 104           HZ2      LYS 104  -1.229  20.018  -0.924
   13    HZ2  LYS 104           HZ3      LYS 104  -1.297  18.353  -0.637

  No H/Q in entry =          13
  In of MODEL    4
    1    H    PHE 105           H        PHE 105   0.925  13.494   3.237
    2    HA   PHE 105           HA       PHE 105   1.414  13.122   0.441
    3    HB2  PHE 105           HB2      PHE 105   3.012  13.138   2.583
    4    HB3  PHE 105           HB3      PHE 105   2.720  11.406   2.505
    5    HD1  PHE 105           HD1      PHE 105   4.371  14.250   0.948
    6    HD2  PHE 105           HD2      PHE 105   3.488  10.103   0.600
    7    HE1  PHE 105           HE1      PHE 105   6.104  14.029  -0.782
    8    HE2  PHE 105           HE2      PHE 105   5.223   9.873  -1.128
    9    HZ   PHE 105           HZ       PHE 105   6.613  11.883  -1.744

  No H/Q in entry =           9
  In of MODEL    4
    1    H    PHE 106           H        PHE 106  -0.064  11.242   2.998
    2    HA   PHE 106           HA       PHE 106  -0.057   8.792   1.483
    3    HB2  PHE 106           HB2      PHE 106  -1.456   9.490   4.073
    4    HB3  PHE 106           HB3      PHE 106  -1.326   7.875   3.389
    5    HD1  PHE 106           HD1      PHE 106  -0.233   9.460   6.046
    6    HD2  PHE 106           HD2      PHE 106   1.453   7.779   2.517
    7    HE1  PHE 106           HE1      PHE 106   1.898   9.135   7.220
    8    HE2  PHE 106           HE2      PHE 106   3.586   7.443   3.692
    9    HZ   PHE 106           HZ       PHE 106   3.797   8.139   6.076

  No H/Q in entry =           9
  In of MODEL    4
    1    H    GLN 107           H        GLN 107  -2.173  11.491   1.786
    2    HA   GLN 107           HA       GLN 107  -4.416   9.953   0.698
    3    HB2  GLN 107           HB2      GLN 107  -4.940  11.414   2.576
    4    HB3  GLN 107           HB3      GLN 107  -4.273  12.798   1.722
    5   HE21  GLN 107          HE21      GLN 107  -7.895  13.822   0.282
    6   HE22  GLN 107          HE22      GLN 107  -8.460  14.404   1.814
    7    HG2  GLN 107           HG2      GLN 107  -6.023  12.646   0.052
    8    HG3  GLN 107           HG3      GLN 107  -6.673  11.209   0.840

  No H/Q in entry =           8
  In of MODEL    4
    1    H    GLU 108           H        GLU 108  -2.799  13.062  -0.002
    2    HA   GLU 108           HA       GLU 108  -4.254  13.486  -2.382
    3    HB2  GLU 108           HB2      GLU 108  -3.220  15.280  -1.047
    4    HB3  GLU 108           HB3      GLU 108  -1.629  14.705  -1.520
    5    HG2  GLU 108           HG2      GLU 108  -2.179  15.187  -3.868
    6    HG3  GLU 108           HG3      GLU 108  -3.740  15.826  -3.351

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LEU 109           H        LEU 109  -1.146  11.975  -1.777
    2    HA   LEU 109           HA       LEU 109  -0.357  12.104  -4.544
    3    HB2  LEU 109           HB2      LEU 109   1.092  12.078  -2.345
    4    HB3  LEU 109           HB3      LEU 109   0.991  10.339  -2.548
    5   HD11  LEU 109          HD11      LEU 109   2.829  13.219  -3.351
    6   HD13  LEU 109          HD12      LEU 109   4.032  12.272  -4.227
    7   HD12  LEU 109          HD13      LEU 109   3.589  11.827  -2.579
    8   HD23  LEU 109          HD21      LEU 109   3.505   9.990  -4.980
    9   HD22  LEU 109          HD22      LEU 109   1.891   9.320  -4.743
   10   HD21  LEU 109          HD23      LEU 109   2.985   9.493  -3.371
   11    HG   LEU 109           HG       LEU 109   1.786  11.737  -4.989

  No H/Q in entry =          11
  In of MODEL    4
    1    H    PHE 110           H        PHE 110  -2.507  10.194  -2.908
    2    HA   PHE 110           HA       PHE 110  -1.888   7.795  -4.475
    3    HB2  PHE 110           HB2      PHE 110  -2.411   7.774  -1.921
    4    HB3  PHE 110           HB3      PHE 110  -4.087   7.943  -2.434
    5    HD1  PHE 110           HD1      PHE 110  -5.305   6.124  -3.257
    6    HD2  PHE 110           HD2      PHE 110  -1.099   5.776  -2.710
    7    HE1  PHE 110           HE1      PHE 110  -5.464   3.695  -3.620
    8    HE2  PHE 110           HE2      PHE 110  -1.248   3.347  -3.068
    9    HZ   PHE 110           HZ       PHE 110  -3.383   2.309  -3.578

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ASP 111           H        ASP 111  -3.661  10.550  -4.768
    2    HA   ASP 111           HA       ASP 111  -6.203   9.748  -5.575
    3    HB2  ASP 111           HB2      ASP 111  -5.724  12.079  -5.201
    4    HB3  ASP 111           HB3      ASP 111  -4.546  12.093  -6.510

  No H/Q in entry =           4
  In of MODEL    4
    1    H    SER 112           H        SER 112  -3.338  10.295  -7.620
    2    HA   SER 112           HA       SER 112  -4.237   8.274  -9.469
    3    HB2  SER 112           HB2      SER 112  -5.417  10.469 -10.107
    4    HB3  SER 112           HB3      SER 112  -3.823  11.069 -10.549
    5    HG   SER 112           HG       SER 112  -5.485   9.512 -11.951

  No H/Q in entry =           5
  In of MODEL    5
    1    H1   GLY  12           H3       GLY  12   0.537  10.195   7.875
    2    H2   GLY  12           H2       GLY  12   0.822  11.458   6.786
    3    H3   GLY  12           H1       GLY  12  -0.344  11.642   7.992
    4    HA2  GLY  12           HA2      GLY  12  -0.457   9.779   5.683
    5    HA3  GLY  12           HA3      GLY  12  -1.437  11.223   5.909

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ALA  13           H        ALA  13  -2.727  11.247   8.007
    2    HA   ALA  13           HA       ALA  13  -4.253   8.806   8.124
    3    HB3  ALA  13           HB1      ALA  13  -4.002   8.442  10.536
    4    HB1  ALA  13           HB2      ALA  13  -2.773   9.707  10.595
    5    HB2  ALA  13           HB3      ALA  13  -2.472   8.226   9.684

  No H/Q in entry =           5
  In of MODEL    5
    1    H    MET  14           H        MET  14  -6.312   9.156   8.820
    2    HA   MET  14           HA       MET  14  -6.938  11.774  10.014
    3    HB2  MET  14           HB2      MET  14  -7.367  11.764   7.527
    4    HB3  MET  14           HB3      MET  14  -8.553  10.495   7.795
    5    HE1  MET  14           HE1      MET  14 -11.786  13.640   8.457
    6    HE3  MET  14           HE2      MET  14 -11.820  14.468   6.899
    7    HE2  MET  14           HE3      MET  14 -10.620  14.914   8.113
    8    HG2  MET  14           HG2      MET  14  -9.835  12.024   9.229
    9    HG3  MET  14           HG3      MET  14  -8.657  13.294   8.903

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ALA  15           H        ALA  15  -6.747   8.793  10.729
    2    HA   ALA  15           HA       ALA  15  -7.760   7.290  12.089
    3    HB2  ALA  15           HB1      ALA  15  -9.293   8.110  13.786
    4    HB1  ALA  15           HB2      ALA  15  -9.506   9.618  12.897
    5    HB3  ALA  15           HB3      ALA  15  -7.937   9.223  13.599

  No H/Q in entry =           5
  In of MODEL    5
    1    H    THR  16           H        THR  16  -8.601   7.451   9.415
    2    HA   THR  16           HA       THR  16 -11.473   7.241   9.316
    3    HB   THR  16           HB       THR  16 -10.951   6.484   6.911
    4    HG1  THR  16           HG1      THR  16  -8.771   7.230   6.283
    5   HG23  THR  16          HG21      THR  16 -10.504   8.776   6.184
    6   HG22  THR  16          HG22      THR  16 -10.030   9.213   7.827
    7   HG21  THR  16          HG23      THR  16 -11.697   8.748   7.483

  No H/Q in entry =           7
  In of MODEL    5
    1    HA   PRO  17           HA       PRO  17 -11.665   2.940  10.430
    2    HB2  PRO  17           HB2      PRO  17 -14.247   3.043   8.985
    3    HB3  PRO  17           HB3      PRO  17 -13.911   2.588  10.658
    4    HD2  PRO  17           HD2      PRO  17 -13.546   5.875   8.627
    5    HD3  PRO  17           HD3      PRO  17 -12.919   6.492  10.170
    6    HG2  PRO  17           HG2      PRO  17 -15.086   4.915  10.077
    7    HG3  PRO  17           HG3      PRO  17 -13.904   4.785  11.394

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLY  18           H        GLY  18 -12.142   4.162   7.188
    2    HA3  GLY  18           HA2      GLY  18 -10.550   2.760   5.701
    3    HA2  GLY  18           HA3      GLY  18 -11.683   1.478   6.096

  No H/Q in entry =           3
  In of MODEL    5
    1    H    SER  19           H        SER  19 -13.810   1.581   5.314
    2    HA   SER  19           HA       SER  19 -15.357   1.847   3.688
    3    HB2  SER  19           HB2      SER  19 -14.229   4.652   3.500
    4    HB3  SER  19           HB3      SER  19 -15.756   4.110   2.798
    5    HG   SER  19           HG       SER  19 -16.167   3.412   5.120

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLU  20           H        GLU  20 -12.728   0.845   3.129
    2    HA   GLU  20           HA       GLU  20 -12.089   1.702   0.447
    3    HB2  GLU  20           HB2      GLU  20 -10.651  -0.599   0.822
    4    HB3  GLU  20           HB3      GLU  20 -10.087   1.018   1.163
    5    HG2  GLU  20           HG2      GLU  20  -9.674  -0.705   2.916
    6    HG3  GLU  20           HG3      GLU  20 -10.445   0.772   3.433

  No H/Q in entry =           6
  In of MODEL    5
    1    H    ASN  21           H        ASN  21 -13.342  -1.212   1.998
    2    HA   ASN  21           HA       ASN  21 -14.655  -2.908   1.272
    3    HB2  ASN  21           HB2      ASN  21 -14.955  -1.224  -1.225
    4    HB3  ASN  21           HB3      ASN  21 -15.784  -2.758  -0.969
    5   HD21  ASN  21          HD21      ASN  21 -17.403  -2.895   0.561
    6   HD22  ASN  21          HD22      ASN  21 -18.172  -1.489   1.219

  No H/Q in entry =           6
  In of MODEL    5
    1    H    VAL  22           H        VAL  22 -11.774  -2.029   0.159
    2    HA   VAL  22           HA       VAL  22 -10.031  -3.026  -0.902
    3    HB   VAL  22           HB       VAL  22 -11.157  -5.561   0.270
    4   HG12  VAL  22          HG11      VAL  22  -8.342  -4.571  -0.128
    5   HG11  VAL  22          HG12      VAL  22  -9.160  -5.785  -1.114
    6   HG13  VAL  22          HG13      VAL  22  -8.804  -6.116   0.582
    7   HG22  VAL  22          HG21      VAL  22 -11.319  -3.812   1.961
    8   HG21  VAL  22          HG22      VAL  22  -9.631  -3.377   1.687
    9   HG23  VAL  22          HG23      VAL  22 -10.037  -4.954   2.363

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LEU  23           H        LEU  23 -10.929  -2.646  -3.055
    2    HA   LEU  23           HA       LEU  23 -11.774  -5.099  -4.417
    3    HB2  LEU  23           HB2      LEU  23 -11.802  -2.197  -5.135
    4    HB3  LEU  23           HB3      LEU  23 -11.753  -3.380  -6.424
    5   HD13  LEU  23          HD11      LEU  23 -13.667  -4.976  -6.719
    6   HD12  LEU  23          HD12      LEU  23 -15.071  -4.852  -5.657
    7   HD11  LEU  23          HD13      LEU  23 -13.542  -5.468  -5.028
    8   HD22  LEU  23          HD21      LEU  23 -13.879  -1.942  -3.752
    9   HD21  LEU  23          HD22      LEU  23 -13.621  -3.599  -3.208
   10   HD23  LEU  23          HD23      LEU  23 -15.170  -3.132  -3.914
   11    HG   LEU  23           HG       LEU  23 -14.027  -2.676  -6.049

  No H/Q in entry =          11
  In of MODEL    5
    1    HA   PRO  24           HA       PRO  24  -7.371  -5.670  -5.343
    2    HB2  PRO  24           HB2      PRO  24  -7.803  -8.035  -6.684
    3    HB3  PRO  24           HB3      PRO  24  -7.585  -7.912  -4.935
    4    HD2  PRO  24           HD2      PRO  24 -11.292  -6.776  -5.046
    5    HD3  PRO  24           HD3      PRO  24 -10.119  -7.023  -3.736
    6    HG2  PRO  24           HG2      PRO  24 -10.114  -8.118  -6.521
    7    HG3  PRO  24           HG3      PRO  24  -9.678  -8.914  -4.997

  No H/Q in entry =           7
  In of MODEL    5
    1    H    ARG  25           H        ARG  25  -7.518  -3.841  -6.769
    2    HA   ARG  25           HA       ARG  25  -8.294  -4.438  -9.533
    3    HB2  ARG  25           HB2      ARG  25  -7.919  -1.817  -8.078
    4    HB3  ARG  25           HB3      ARG  25  -8.314  -1.954  -9.787
    5    HD2  ARG  25           HD2      ARG  25 -10.303  -0.507  -9.125
    6    HD3  ARG  25           HD3      ARG  25 -11.532  -1.197  -8.066
    7    HE   ARG  25           HE       ARG  25  -9.327  -0.989  -6.479
    8    HG2  ARG  25           HG2      ARG  25 -10.426  -2.959  -9.280
    9    HG3  ARG  25           HG3      ARG  25 -10.011  -3.071  -7.568
   10   HH11  ARG  25          HH11      ARG  25 -11.200   1.231  -8.426
   11   HH12  ARG  25          HH12      ARG  25 -10.823   2.616  -7.440
   12   HH21  ARG  25          HH21      ARG  25  -8.818   0.839  -5.176
   13   HH22  ARG  25          HH22      ARG  25  -9.454   2.396  -5.609

  No H/Q in entry =          13
  In of MODEL    5
    1    H    GLU  26           H        GLU  26  -6.887  -4.383 -11.127
    2    HA   GLU  26           HA       GLU  26  -4.131  -4.611 -10.582
    3    HB2  GLU  26           HB2      GLU  26  -5.609  -4.307 -13.195
    4    HB3  GLU  26           HB3      GLU  26  -3.903  -4.720 -13.059
    5    HG2  GLU  26           HG2      GLU  26  -4.428  -6.773 -11.940
    6    HG3  GLU  26           HG3      GLU  26  -6.135  -6.340 -11.857

  No H/Q in entry =           6
  In of MODEL    5
    1    HA   PRO  27           HA       PRO  27  -3.757  -0.177 -12.632
    2    HB2  PRO  27           HB2      PRO  27  -5.965   1.399 -12.144
    3    HB3  PRO  27           HB3      PRO  27  -5.622   0.609 -13.685
    4    HD2  PRO  27           HD2      PRO  27  -7.017  -2.475 -11.771
    5    HD3  PRO  27           HD3      PRO  27  -6.408  -2.240 -13.423
    6    HG2  PRO  27           HG2      PRO  27  -7.440  -0.216 -11.478
    7    HG3  PRO  27           HG3      PRO  27  -7.687  -0.320 -13.231

  No H/Q in entry =           7
  In of MODEL    5
    1    H    LEU  28           H        LEU  28  -5.481  -1.005  -9.721
    2    HA   LEU  28           HA       LEU  28  -4.726   1.302  -8.227
    3    HB2  LEU  28           HB2      LEU  28  -6.649  -0.168  -7.648
    4    HB3  LEU  28           HB3      LEU  28  -5.515  -1.429  -7.206
    5   HD11  LEU  28          HD11      LEU  28  -5.125   2.188  -6.427
    6   HD13  LEU  28          HD12      LEU  28  -5.810   2.059  -4.807
    7   HD12  LEU  28          HD13      LEU  28  -6.850   1.883  -6.221
    8   HD23  LEU  28          HD21      LEU  28  -6.568  -0.104  -3.945
    9   HD22  LEU  28          HD22      LEU  28  -6.349  -1.576  -4.891
   10   HD21  LEU  28          HD23      LEU  28  -7.595  -0.412  -5.346
   11    HG   LEU  28           HG       LEU  28  -4.613   0.027  -5.423

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ILE  29           H        ILE  29  -3.335  -1.863  -8.811
    2    HA   ILE  29           HA       ILE  29  -1.207  -1.725  -6.974
    3    HB   ILE  29           HB       ILE  29  -1.276  -3.068  -9.687
    4   HD11  ILE  29          HD11      ILE  29  -0.802  -5.865  -8.322
    5   HD13  ILE  29          HD12      ILE  29  -2.018  -5.567  -9.564
    6   HD12  ILE  29          HD13      ILE  29  -2.499  -6.216  -7.995
    7   HG12  ILE  29          HG12      ILE  29  -1.825  -4.156  -6.915
    8   HG13  ILE  29          HG13      ILE  29  -3.036  -3.853  -8.155
    9   HG23  ILE  29          HG21      ILE  29   0.569  -4.440  -8.880
   10   HG22  ILE  29          HG22      ILE  29   0.588  -3.542  -7.362
   11   HG21  ILE  29          HG23      ILE  29   1.014  -2.733  -8.869

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ALA  30           H        ALA  30  -1.485  -0.682 -10.354
    2    HA   ALA  30           HA       ALA  30   1.098   0.413 -10.603
    3    HB2  ALA  30           HB1      ALA  30  -1.433   1.207 -12.044
    4    HB1  ALA  30           HB2      ALA  30  -0.317  -0.066 -12.535
    5    HB3  ALA  30           HB3      ALA  30   0.209   1.617 -12.537

  No H/Q in entry =           5
  In of MODEL    5
    1    H    THR  31           H        THR  31  -1.875   1.655  -9.265
    2    HA   THR  31           HA       THR  31  -1.094   4.356  -8.939
    3    HB   THR  31           HB       THR  31  -3.044   2.652  -7.380
    4    HG1  THR  31           HG1      THR  31  -3.591   3.078  -9.583
    5   HG22  THR  31          HG21      THR  31  -2.648   5.642  -7.288
    6   HG21  THR  31          HG22      THR  31  -2.268   4.510  -5.988
    7   HG23  THR  31          HG23      THR  31  -3.944   4.747  -6.493

  No H/Q in entry =           7
  In of MODEL    5
    1    H    ALA  32           H        ALA  32  -0.827   1.495  -6.863
    2    HA   ALA  32           HA       ALA  32   0.326   2.752  -4.634
    3    HB3  ALA  32           HB1      ALA  32   0.672  -0.097  -5.568
    4    HB1  ALA  32           HB2      ALA  32  -0.624   0.498  -4.531
    5    HB2  ALA  32           HB3      ALA  32   1.043   0.514  -3.957

  No H/Q in entry =           5
  In of MODEL    5
    1    H    VAL  33           H        VAL  33   1.797   1.175  -7.450
    2    HA   VAL  33           HA       VAL  33   4.483   1.508  -6.689
    3    HB   VAL  33           HB       VAL  33   3.381   1.506  -9.516
    4   HG13  VAL  33          HG11      VAL  33   5.566   0.584 -10.118
    5   HG12  VAL  33          HG12      VAL  33   6.093   0.746  -8.442
    6   HG11  VAL  33          HG13      VAL  33   5.711   2.184  -9.390
    7   HG23  VAL  33          HG21      VAL  33   4.211  -0.833  -7.800
    8   HG22  VAL  33          HG22      VAL  33   3.710  -0.909  -9.489
    9   HG21  VAL  33          HG23      VAL  33   2.558  -0.419  -8.247

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LYS  34           H        LYS  34   2.328   3.585  -8.616
    2    HA   LYS  34           HA       LYS  34   4.020   5.703  -9.195
    3    HB2  LYS  34           HB2      LYS  34   1.813   5.661 -10.120
    4    HB3  LYS  34           HB3      LYS  34   1.072   5.636  -8.529
    5    HD2  LYS  34           HD2      LYS  34   1.792   7.844  -7.019
    6    HD3  LYS  34           HD3      LYS  34   1.157   9.209  -7.943
    7    HE2  LYS  34           HE2      LYS  34  -0.263   6.567  -7.716
    8    HE3  LYS  34           HE3      LYS  34  -0.526   7.903  -6.598
    9    HG2  LYS  34           HG2      LYS  34   2.738   7.984  -9.308
   10    HG3  LYS  34           HG3      LYS  34   1.116   7.820  -9.980
   11    HZ1  LYS  34           HZ1      LYS  34  -1.172   9.274  -8.540
   12    HZ3  LYS  34           HZ2      LYS  34  -2.197   7.953  -8.280
   13    HZ2  LYS  34           HZ3      LYS  34  -1.053   7.898  -9.527

  No H/Q in entry =          13
  In of MODEL    5
    1    H    PHE  35           H        PHE  35   1.969   5.246  -6.370
    2    HA   PHE  35           HA       PHE  35   2.654   7.497  -4.893
    3    HB2  PHE  35           HB2      PHE  35   0.801   5.990  -4.381
    4    HB3  PHE  35           HB3      PHE  35   1.942   4.730  -3.949
    5    HD1  PHE  35           HD1      PHE  35   0.931   8.171  -3.050
    6    HD2  PHE  35           HD2      PHE  35   2.653   4.498  -1.783
    7    HE1  PHE  35           HE1      PHE  35   0.968   8.995  -0.741
    8    HE2  PHE  35           HE2      PHE  35   2.700   5.302   0.511
    9    HZ   PHE  35           HZ       PHE  35   1.796   7.532   1.071

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LEU  36           H        LEU  36   4.040   4.248  -4.806
    2    HA   LEU  36           HA       LEU  36   5.906   4.616  -2.780
    3    HB2  LEU  36           HB2      LEU  36   5.507   2.705  -4.994
    4    HB3  LEU  36           HB3      LEU  36   7.096   2.728  -4.263
    5   HD11  LEU  36          HD11      LEU  36   4.272   3.462  -2.056
    6   HD13  LEU  36          HD12      LEU  36   3.888   1.787  -1.658
    7   HD12  LEU  36          HD13      LEU  36   3.472   2.432  -3.246
    8   HD21  LEU  36          HD21      LEU  36   4.813   0.560  -4.355
    9   HD23  LEU  36          HD22      LEU  36   5.090  -0.054  -2.726
   10   HD22  LEU  36          HD23      LEU  36   6.459   0.262  -3.791
   11    HG   LEU  36           HG       LEU  36   6.256   2.035  -2.160

  No H/Q in entry =          11
  In of MODEL    5
    1    H    GLN  37           H        GLN  37   6.390   4.936  -6.300
    2    HA   GLN  37           HA       GLN  37   9.231   5.207  -5.919
    3    HB2  GLN  37           HB2      GLN  37   7.534   5.318  -8.404
    4    HB3  GLN  37           HB3      GLN  37   9.294   5.368  -8.395
    5   HE21  GLN  37          HE21      GLN  37   9.478   1.335  -8.613
    6   HE22  GLN  37          HE22      GLN  37   8.984   1.286 -10.272
    7    HG2  GLN  37           HG2      GLN  37   9.389   3.184  -7.378
    8    HG3  GLN  37           HG3      GLN  37   7.629   3.138  -7.258

  No H/Q in entry =           8
  In of MODEL    5
    1    H    ASN  38           H        ASN  38   7.594   7.348  -4.803
    2    HA   ASN  38           HA       ASN  38   8.784   9.603  -6.259
    3    HB2  ASN  38           HB2      ASN  38   6.622   9.387  -4.200
    4    HB3  ASN  38           HB3      ASN  38   7.554  10.879  -4.293
    5   HD21  ASN  38          HD21      ASN  38   5.274   8.815  -5.913
    6   HD22  ASN  38          HD22      ASN  38   4.823   9.952  -7.133

  No H/Q in entry =           6
  In of MODEL    5
    1    H    SER  39           H        SER  39  10.240   7.549  -4.838
    2    HA   SER  39           HA       SER  39  12.209   7.411  -3.771
    3    HB2  SER  39           HB2      SER  39  11.949  10.402  -3.410
    4    HB3  SER  39           HB3      SER  39  13.403   9.457  -3.079
    5    HG   SER  39           HG       SER  39  13.291  10.477  -5.209

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ARG  40           H        ARG  40  10.385   9.860  -1.910
    2    HA   ARG  40           HA       ARG  40  11.348   9.067   0.582
    3    HB2  ARG  40           HB2      ARG  40   8.817  10.485  -0.200
    4    HB3  ARG  40           HB3      ARG  40   9.231  10.173   1.478
    5    HD2  ARG  40           HD2      ARG  40  10.459  13.519   1.445
    6    HD3  ARG  40           HD3      ARG  40   8.874  12.951   0.917
    7    HE   ARG  40           HE       ARG  40  10.176  11.500   3.095
    8    HG2  ARG  40           HG2      ARG  40  11.445  11.374   0.923
    9    HG3  ARG  40           HG3      ARG  40  10.572  11.979  -0.490
   10   HH11  ARG  40          HH11      ARG  40   7.732  13.826   2.099
   11   HH12  ARG  40          HH12      ARG  40   6.823  13.666   3.570
   12   HH21  ARG  40          HH21      ARG  40   8.958  11.278   4.998
   13   HH22  ARG  40          HH22      ARG  40   7.499  12.201   5.211

  No H/Q in entry =          13
  In of MODEL    5
    1    H    VAL  41           H        VAL  41   8.433   8.006  -1.126
    2    HA   VAL  41           HA       VAL  41   7.266   6.675   1.046
    3    HB   VAL  41           HB       VAL  41   6.893   6.035  -1.890
    4   HG11  VAL  41          HG11      VAL  41   5.193   5.459   0.543
    5   HG13  VAL  41          HG12      VAL  41   6.050   4.277  -0.445
    6   HG12  VAL  41          HG13      VAL  41   4.701   5.184  -1.128
    7   HG22  VAL  41          HG21      VAL  41   6.466   8.387  -1.444
    8   HG21  VAL  41          HG22      VAL  41   5.442   7.967  -0.071
    9   HG23  VAL  41          HG23      VAL  41   4.940   7.539  -1.707

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ARG  42           H        ARG  42   9.540   5.527  -1.413
    2    HA   ARG  42           HA       ARG  42   9.306   2.790  -0.654
    3    HB2  ARG  42           HB2      ARG  42  11.533   4.188  -2.159
    4    HB3  ARG  42           HB3      ARG  42  11.351   2.445  -2.011
    5    HD2  ARG  42           HD2      ARG  42  10.884   1.706  -4.193
    6    HD3  ARG  42           HD3      ARG  42   9.885   2.659  -5.287
    7    HE   ARG  42           HE       ARG  42  11.931   4.327  -4.563
    8    HG2  ARG  42           HG2      ARG  42   9.020   2.832  -3.049
    9    HG3  ARG  42           HG3      ARG  42   9.678   4.392  -3.542
   10   HH11  ARG  42          HH11      ARG  42  11.739   1.141  -6.016
   11   HH12  ARG  42          HH12      ARG  42  13.159   1.367  -6.996
   12   HH21  ARG  42          HH21      ARG  42  13.776   4.629  -5.866
   13   HH22  ARG  42          HH22      ARG  42  14.296   3.359  -6.929

  No H/Q in entry =          13
  In of MODEL    5
    1    H    GLN  43           H        GLN  43  10.793   5.438   0.803
    2    HA   GLN  43           HA       GLN  43  12.509   3.668   2.414
    3    HB2  GLN  43           HB2      GLN  43  12.807   6.603   1.776
    4    HB3  GLN  43           HB3      GLN  43  13.790   5.756   2.965
    5   HE21  GLN  43          HE21      GLN  43  13.617   2.781   0.654
    6   HE22  GLN  43          HE22      GLN  43  15.025   2.023   1.316
    7    HG2  GLN  43           HG2      GLN  43  13.615   4.967   0.068
    8    HG3  GLN  43           HG3      GLN  43  14.851   6.041   0.721

  No H/Q in entry =           8
  In of MODEL    5
    1    H    SER  44           H        SER  44   9.569   4.880   2.567
    2    HA   SER  44           HA       SER  44   9.689   6.088   5.205
    3    HB2  SER  44           HB2      SER  44   7.269   6.399   4.958
    4    HB3  SER  44           HB3      SER  44   8.101   6.963   3.509
    5    HG   SER  44           HG       SER  44   7.583   4.896   2.567

  No H/Q in entry =           5
  In of MODEL    5
    1    HA   PRO  45           HA       PRO  45   9.104   2.598   7.802
    2    HB2  PRO  45           HB2      PRO  45   6.573   3.891   8.729
    3    HB3  PRO  45           HB3      PRO  45   7.913   3.229   9.675
    4    HD2  PRO  45           HD2      PRO  45   7.596   6.150   7.080
    5    HD3  PRO  45           HD3      PRO  45   9.361   6.131   7.263
    6    HG2  PRO  45           HG2      PRO  45   7.662   5.854   9.363
    7    HG3  PRO  45           HG3      PRO  45   9.261   5.087   9.313

  No H/Q in entry =           7
  In of MODEL    5
    1    H    LEU  46           H        LEU  46   8.565   0.748   6.871
    2    HA   LEU  46           HA       LEU  46   6.377   0.232   5.228
    3    HB2  LEU  46           HB2      LEU  46   8.224  -1.504   6.819
    4    HB3  LEU  46           HB3      LEU  46   6.842  -2.220   6.012
    5   HD11  LEU  46          HD11      LEU  46   8.749  -3.573   4.877
    6   HD13  LEU  46          HD12      LEU  46   9.993  -2.525   5.561
    7   HD12  LEU  46          HD13      LEU  46   9.858  -2.710   3.812
    8   HD22  LEU  46          HD21      LEU  46   6.756  -0.762   3.446
    9   HD21  LEU  46          HD22      LEU  46   6.809  -2.518   3.615
   10   HD23  LEU  46          HD23      LEU  46   7.987  -1.695   2.593
   11    HG   LEU  46           HG       LEU  46   8.916  -0.577   4.562

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ALA  47           H        ALA  47   6.634   0.229   8.698
    2    HA   ALA  47           HA       ALA  47   4.404  -1.261   9.425
    3    HB3  ALA  47           HB1      ALA  47   5.451   1.251  10.732
    4    HB1  ALA  47           HB2      ALA  47   5.995  -0.396  11.053
    5    HB2  ALA  47           HB3      ALA  47   4.352   0.089  11.474

  No H/Q in entry =           5
  In of MODEL    5
    1    H    THR  48           H        THR  48   4.593   2.151   8.469
    2    HA   THR  48           HA       THR  48   1.797   2.637   8.678
    3    HB   THR  48           HB       THR  48   3.904   4.079   7.052
    4    HG1  THR  48           HG1      THR  48   3.380   4.013   9.682
    5   HG21  THR  48          HG21      THR  48   1.067   4.892   7.722
    6   HG23  THR  48          HG22      THR  48   1.707   4.541   6.113
    7   HG22  THR  48          HG23      THR  48   2.277   5.954   7.005

  No H/Q in entry =           7
  In of MODEL    5
    1    H    ARG  49           H        ARG  49   3.961   1.846   5.988
    2    HA   ARG  49           HA       ARG  49   2.045   2.140   3.963
    3    HB2  ARG  49           HB2      ARG  49   4.688   0.714   4.055
    4    HB3  ARG  49           HB3      ARG  49   3.707   0.755   2.600
    5    HD2  ARG  49           HD2      ARG  49   5.462   1.777   1.445
    6    HD3  ARG  49           HD3      ARG  49   5.859   3.467   1.719
    7    HE   ARG  49           HE       ARG  49   7.087   2.408   3.783
    8    HG2  ARG  49           HG2      ARG  49   3.770   3.237   2.702
    9    HG3  ARG  49           HG3      ARG  49   4.877   3.110   4.068
   10   HH11  ARG  49          HH11      ARG  49   6.912   1.136   0.528
   11   HH12  ARG  49          HH12      ARG  49   8.496   0.440   0.575
   12   HH21  ARG  49          HH21      ARG  49   9.198   1.533   3.836
   13   HH22  ARG  49          HH22      ARG  49   9.807   0.678   2.453

  No H/Q in entry =          13
  In of MODEL    5
    1    H    ARG  50           H        ARG  50   2.733  -0.591   6.047
    2    HA   ARG  50           HA       ARG  50   1.469  -2.610   4.552
    3    HB2  ARG  50           HB2      ARG  50   1.708  -2.234   7.542
    4    HB3  ARG  50           HB3      ARG  50   1.035  -3.678   6.804
    5    HD2  ARG  50           HD2      ARG  50   2.738  -4.206   4.603
    6    HD3  ARG  50           HD3      ARG  50   4.240  -4.783   5.320
    7    HE   ARG  50           HE       ARG  50   2.069  -5.756   6.819
    8    HG2  ARG  50           HG2      ARG  50   3.816  -2.669   6.269
    9    HG3  ARG  50           HG3      ARG  50   3.421  -3.857   7.510
   10   HH11  ARG  50          HH11      ARG  50   3.585  -6.159   3.693
   11   HH12  ARG  50          HH12      ARG  50   3.041  -7.793   3.479
   12   HH21  ARG  50          HH21      ARG  50   1.379  -7.933   6.577
   13   HH22  ARG  50          HH22      ARG  50   1.796  -8.804   5.129

  No H/Q in entry =          13
  In of MODEL    5
    1    H    ALA  51           H        ALA  51   0.094  -0.753   7.275
    2    HA   ALA  51           HA       ALA  51  -2.569  -1.590   6.789
    3    HB2  ALA  51           HB1      ALA  51  -1.566   0.806   8.329
    4    HB1  ALA  51           HB2      ALA  51  -1.827  -0.812   8.982
    5    HB3  ALA  51           HB3      ALA  51  -3.196   0.140   8.406

  No H/Q in entry =           5
  In of MODEL    5
    1    H    PHE  52           H        PHE  52  -0.628   1.097   5.734
    2    HA   PHE  52           HA       PHE  52  -2.533   2.790   4.645
    3    HB2  PHE  52           HB2      PHE  52  -0.195   3.406   4.813
    4    HB3  PHE  52           HB3      PHE  52   0.258   2.161   3.662
    5    HD1  PHE  52           HD1      PHE  52   0.186   2.537   1.365
    6    HD2  PHE  52           HD2      PHE  52  -1.571   5.320   4.052
    7    HE1  PHE  52           HE1      PHE  52  -0.107   4.128  -0.483
    8    HE2  PHE  52           HE2      PHE  52  -1.865   6.919   2.213
    9    HZ   PHE  52           HZ       PHE  52  -1.011   6.331  -0.054

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LEU  53           H        LEU  53  -0.781   0.144   2.958
    2    HA   LEU  53           HA       LEU  53  -2.133   0.440   0.518
    3    HB2  LEU  53           HB2      LEU  53  -0.972  -2.097   1.665
    4    HB3  LEU  53           HB3      LEU  53  -1.412  -1.843  -0.008
    5   HD11  LEU  53          HD11      LEU  53   1.205  -2.845   0.469
    6   HD13  LEU  53          HD12      LEU  53   2.168  -1.611  -0.345
    7   HD12  LEU  53          HD13      LEU  53   0.671  -2.187  -1.079
    8   HD21  LEU  53          HD21      LEU  53  -0.102   0.220  -1.182
    9   HD23  LEU  53          HD22      LEU  53   1.425   0.684  -0.435
   10   HD22  LEU  53          HD23      LEU  53  -0.100   1.183   0.298
   11    HG   LEU  53           HG       LEU  53   0.899  -0.674   1.512

  No H/Q in entry =          11
  In of MODEL    5
    1    H    LYS  54           H        LYS  54  -2.852  -1.645   3.303
    2    HA   LYS  54           HA       LYS  54  -4.998  -3.042   2.167
    3    HB2  LYS  54           HB2      LYS  54  -3.889  -2.681   4.817
    4    HB3  LYS  54           HB3      LYS  54  -5.644  -2.718   4.881
    5    HD2  LYS  54           HD2      LYS  54  -3.597  -6.085   3.328
    6    HD3  LYS  54           HD3      LYS  54  -3.398  -4.509   2.560
    7    HE2  LYS  54           HE2      LYS  54  -1.364  -4.983   3.724
    8    HE3  LYS  54           HE3      LYS  54  -2.231  -3.743   4.640
    9    HG2  LYS  54           HG2      LYS  54  -4.767  -4.927   5.209
   10    HG3  LYS  54           HG3      LYS  54  -5.617  -4.857   3.665
   11    HZ2  LYS  54           HZ1      LYS  54  -2.170  -6.646   5.275
   12    HZ1  LYS  54           HZ2      LYS  54  -3.052  -5.472   6.134
   13    HZ3  LYS  54           HZ3      LYS  54  -1.358  -5.416   6.116

  No H/Q in entry =          13
  In of MODEL    5
    1    H    LYS  55           H        LYS  55  -4.962   0.005   3.966
    2    HA   LYS  55           HA       LYS  55  -7.777   0.386   3.871
    3    HB2  LYS  55           HB2      LYS  55  -5.512   2.301   4.431
    4    HB3  LYS  55           HB3      LYS  55  -7.210   2.757   4.520
    5    HD2  LYS  55           HD2      LYS  55  -8.651   1.765   6.414
    6    HD3  LYS  55           HD3      LYS  55  -8.298   0.228   5.623
    7    HE2  LYS  55           HE2      LYS  55  -8.987  -0.235   7.864
    8    HE3  LYS  55           HE3      LYS  55  -7.257  -0.545   7.756
    9    HG2  LYS  55           HG2      LYS  55  -5.881   0.609   6.162
   10    HG3  LYS  55           HG3      LYS  55  -6.322   2.224   6.723
   11    HZ3  LYS  55           HZ1      LYS  55  -7.629   0.624   9.756
   12    HZ2  LYS  55           HZ2      LYS  55  -8.600   1.785   9.001
   13    HZ1  LYS  55           HZ3      LYS  55  -6.936   1.749   8.692

  No H/Q in entry =          13
  In of MODEL    5
    1    H    LYS  56           H        LYS  56  -5.264   0.919   1.580
    2    HA   LYS  56           HA       LYS  56  -6.627   2.948   0.085
    3    HB2  LYS  56           HB2      LYS  56  -4.375   1.102  -0.709
    4    HB3  LYS  56           HB3      LYS  56  -4.973   2.426  -1.697
    5    HD2  LYS  56           HD2      LYS  56  -3.447   5.120   0.216
    6    HD3  LYS  56           HD3      LYS  56  -4.466   4.713  -1.161
    7    HE2  LYS  56           HE2      LYS  56  -5.702   5.919   0.575
    8    HE3  LYS  56           HE3      LYS  56  -6.342   4.297   0.320
    9    HG2  LYS  56           HG2      LYS  56  -3.843   2.788   1.069
   10    HG3  LYS  56           HG3      LYS  56  -2.885   2.904  -0.402
   11    HZ3  LYS  56           HZ1      LYS  56  -5.179   3.558   2.289
   12    HZ2  LYS  56           HZ2      LYS  56  -6.192   4.867   2.664
   13    HZ1  LYS  56           HZ3      LYS  56  -4.521   5.100   2.522

  No H/Q in entry =          13
  In of MODEL    5
    1    H    GLY  57           H        GLY  57  -6.823  -0.507   0.245
    2    HA3  GLY  57           HA2      GLY  57  -9.054  -1.298  -0.434
    3    HA2  GLY  57           HA3      GLY  57  -8.857  -0.344  -1.891

  No H/Q in entry =           3
  In of MODEL    5
    1    H    LEU  58           H        LEU  58  -6.275  -2.345  -0.558
    2    HA   LEU  58           HA       LEU  58  -6.946  -4.439  -2.466
    3    HB2  LEU  58           HB2      LEU  58  -4.432  -4.562  -3.036
    4    HB3  LEU  58           HB3      LEU  58  -5.441  -3.387  -3.843
    5   HD11  LEU  58          HD11      LEU  58  -3.526  -3.395  -0.605
    6   HD13  LEU  58          HD12      LEU  58  -2.341  -2.243  -1.221
    7   HD12  LEU  58          HD13      LEU  58  -2.448  -3.858  -1.922
    8   HD23  LEU  58          HD21      LEU  58  -2.610  -1.230  -3.413
    9   HD22  LEU  58          HD22      LEU  58  -4.046  -1.546  -4.389
   10   HD21  LEU  58          HD23      LEU  58  -2.797  -2.782  -4.228
   11    HG   LEU  58           HG       LEU  58  -4.581  -1.739  -2.035

  No H/Q in entry =          11
  In of MODEL    5
    1    H    THR  59           H        THR  59  -6.227  -6.490  -1.937
    2    HA   THR  59           HA       THR  59  -6.243  -6.916   0.865
    3    HB   THR  59           HB       THR  59  -5.827  -9.378   0.009
    4    HG1  THR  59           HG1      THR  59  -6.217  -9.648  -2.127
    5   HG22  THR  59          HG21      THR  59  -8.361  -7.840  -0.561
    6   HG21  THR  59          HG22      THR  59  -7.914  -8.564   0.985
    7   HG23  THR  59          HG23      THR  59  -8.233  -9.591  -0.416

  No H/Q in entry =           7
  In of MODEL    5
    1    H    ASP  60           H        ASP  60  -4.748  -8.422   1.982
    2    HA   ASP  60           HA       ASP  60  -2.253  -7.301   2.266
    3    HB2  ASP  60           HB2      ASP  60  -3.557  -8.951   3.768
    4    HB3  ASP  60           HB3      ASP  60  -2.739 -10.210   2.853

  No H/Q in entry =           4
  In of MODEL    5
    1    H    GLU  61           H        GLU  61  -3.038 -10.290   0.516
    2    HA   GLU  61           HA       GLU  61  -0.525 -11.020  -0.367
    3    HB2  GLU  61           HB2      GLU  61  -1.712 -12.122  -2.262
    4    HB3  GLU  61           HB3      GLU  61  -2.431 -12.456  -0.691
    5    HG2  GLU  61           HG2      GLU  61  -4.197 -10.866  -1.111
    6    HG3  GLU  61           HG3      GLU  61  -3.443 -10.379  -2.627

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLU  62           H        GLU  62  -2.685  -8.590  -1.696
    2    HA   GLU  62           HA       GLU  62  -1.154  -8.242  -4.102
    3    HB2  GLU  62           HB2      GLU  62  -3.407  -6.576  -2.966
    4    HB3  GLU  62           HB3      GLU  62  -2.743  -6.434  -4.586
    5    HG2  GLU  62           HG2      GLU  62  -4.095  -8.889  -3.489
    6    HG3  GLU  62           HG3      GLU  62  -4.862  -7.683  -4.517

  No H/Q in entry =           6
  In of MODEL    5
    1    H    ILE  63           H        ILE  63  -1.227  -6.832  -0.919
    2    HA   ILE  63           HA       ILE  63   0.068  -4.415  -1.640
    3    HB   ILE  63           HB       ILE  63   0.267  -3.875   0.577
    4   HD11  ILE  63          HD11      ILE  63   1.145  -4.235   2.842
    5   HD13  ILE  63          HD12      ILE  63   1.305  -5.869   3.485
    6   HD12  ILE  63          HD13      ILE  63  -0.297  -5.180   3.210
    7   HG12  ILE  63          HG12      ILE  63   0.275  -6.761   1.467
    8   HG13  ILE  63          HG13      ILE  63   1.751  -5.864   1.116
    9   HG22  ILE  63          HG21      ILE  63  -1.890  -5.969   0.588
   10   HG21  ILE  63          HG22      ILE  63  -2.062  -4.285   0.095
   11   HG23  ILE  63          HG23      ILE  63  -1.704  -4.680   1.776

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ASP  64           H        ASP  64   1.253  -7.620  -0.645
    2    HA   ASP  64           HA       ASP  64   3.990  -6.752  -0.727
    3    HB2  ASP  64           HB2      ASP  64   3.484  -9.617  -1.222
    4    HB3  ASP  64           HB3      ASP  64   4.634  -8.850  -0.153

  No H/Q in entry =           4
  In of MODEL    5
    1    H    MET  65           H        MET  65   1.682  -8.011  -3.016
    2    HA   MET  65           HA       MET  65   3.463  -8.678  -5.085
    3    HB2  MET  65           HB2      MET  65   1.056  -9.224  -5.147
    4    HB3  MET  65           HB3      MET  65   0.675  -7.518  -5.314
    5    HE3  MET  65           HE1      MET  65   4.582 -10.527  -7.515
    6    HE2  MET  65           HE2      MET  65   4.099  -9.513  -6.155
    7    HE1  MET  65           HE3      MET  65   4.354  -8.793  -7.745
    8    HG2  MET  65           HG2      MET  65   0.490  -8.374  -7.470
    9    HG3  MET  65           HG3      MET  65   2.058  -7.576  -7.444

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ALA  66           H        ALA  66   1.821  -5.625  -4.330
    2    HA   ALA  66           HA       ALA  66   3.000  -4.119  -6.411
    3    HB1  ALA  66           HB1      ALA  66   1.880  -3.146  -3.785
    4    HB3  ALA  66           HB2      ALA  66   0.944  -3.445  -5.249
    5    HB2  ALA  66           HB3      ALA  66   2.163  -2.171  -5.228

  No H/Q in entry =           5
  In of MODEL    5
    1    H    PHE  67           H        PHE  67   3.808  -4.470  -2.967
    2    HA   PHE  67           HA       PHE  67   6.002  -2.707  -3.003
    3    HB2  PHE  67           HB2      PHE  67   4.988  -4.785  -1.133
    4    HB3  PHE  67           HB3      PHE  67   6.656  -4.260  -0.933
    5    HD1  PHE  67           HD1      PHE  67   6.184  -1.397  -1.857
    6    HD2  PHE  67           HD2      PHE  67   4.128  -3.887   0.939
    7    HE1  PHE  67           HE1      PHE  67   5.464   0.593  -0.633
    8    HE2  PHE  67           HE2      PHE  67   3.425  -1.881   2.178
    9    HZ   PHE  67           HZ       PHE  67   4.102   0.356   1.398

  No H/Q in entry =           9
  In of MODEL    5
    1    H    GLN  68           H        GLN  68   5.761  -6.164  -3.568
    2    HA   GLN  68           HA       GLN  68   8.474  -6.810  -3.691
    3    HB2  GLN  68           HB2      GLN  68   6.294  -8.279  -3.866
    4    HB3  GLN  68           HB3      GLN  68   6.518  -8.025  -5.595
    5   HE21  GLN  68          HE21      GLN  68   7.138  -8.707  -6.975
    6   HE22  GLN  68          HE22      GLN  68   8.501  -9.109  -7.964
    7    HG2  GLN  68           HG2      GLN  68   8.754  -9.065  -3.899
    8    HG3  GLN  68           HG3      GLN  68   7.487 -10.140  -4.480

  No H/Q in entry =           8
  In of MODEL    5
    1    H    GLN  69           H        GLN  69   6.186  -5.926  -6.201
    2    HA   GLN  69           HA       GLN  69   7.909  -6.019  -8.404
    3    HB2  GLN  69           HB2      GLN  69   5.503  -6.156  -8.602
    4    HB3  GLN  69           HB3      GLN  69   5.319  -4.542  -7.933
    5   HE21  GLN  69          HE21      GLN  69   4.546  -6.136 -11.288
    6   HE22  GLN  69          HE22      GLN  69   3.129  -5.160 -11.514
    7    HG2  GLN  69           HG2      GLN  69   6.550  -3.672  -9.910
    8    HG3  GLN  69           HG3      GLN  69   6.496  -5.292 -10.595

  No H/Q in entry =           8
  In of MODEL    5
    1    H    SER  70           H        SER  70   7.130  -3.414  -6.163
    2    HA   SER  70           HA       SER  70   8.354  -1.397  -7.825
    3    HB2  SER  70           HB2      SER  70   7.396  -1.204  -4.965
    4    HB3  SER  70           HB3      SER  70   7.799   0.147  -6.025
    5    HG   SER  70           HG       SER  70   5.683  -1.720  -6.319

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLY  71           H        GLY  71   9.619  -3.729  -5.861
    2    HA3  GLY  71           HA2      GLY  71  11.696  -4.069  -4.939
    3    HA2  GLY  71           HA3      GLY  71  12.235  -2.679  -5.873

  No H/Q in entry =           3
  In of MODEL    5
    1    H    THR  72           H        THR  72  10.238  -3.377  -3.000
    2    HA   THR  72           HA       THR  72  11.481  -1.037  -1.718
    3    HB   THR  72           HB       THR  72   9.232  -0.461  -0.771
    4    HG1  THR  72           HG1      THR  72   8.488  -2.498  -2.604
    5   HG21  THR  72          HG21      THR  72  10.155   0.773  -2.677
    6   HG23  THR  72          HG22      THR  72   8.399   0.635  -2.783
    7   HG22  THR  72          HG23      THR  72   9.428  -0.394  -3.781

  No H/Q in entry =           7
  In of MODEL    5
    1    H    ALA  73           H        ALA  73  11.053  -4.245  -1.512
    2    HA   ALA  73           HA       ALA  73  10.638  -4.229   1.410
    3    HB1  ALA  73           HB1      ALA  73  10.100  -6.461  -0.549
    4    HB2  ALA  73           HB2      ALA  73   8.879  -5.402   0.157
    5    HB3  ALA  73           HB3      ALA  73   9.795  -6.503   1.187

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ALA  74           H        ALA  74  12.243  -4.932   2.649
    2    HA   ALA  74           HA       ALA  74  14.780  -5.643   1.709
    3    HB3  ALA  74           HB1      ALA  74  15.236  -6.361   4.014
    4    HB2  ALA  74           HB2      ALA  74  13.513  -6.276   4.376
    5    HB1  ALA  74           HB3      ALA  74  14.401  -4.808   3.974

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ASP  75           H        ASP  75  12.012  -7.525   2.679
    2    HA   ASP  75           HA       ASP  75  12.687  -9.645   0.883
    3    HB2  ASP  75           HB2      ASP  75  14.004 -10.370   2.838
    4    HB3  ASP  75           HB3      ASP  75  12.578 -10.230   3.860

  No H/Q in entry =           4
  In of MODEL    5
    1    H    GLU  76           H        GLU  76  10.786  -8.702   3.699
    2    HA   GLU  76           HA       GLU  76   8.325  -9.212   2.156
    3    HB2  GLU  76           HB2      GLU  76   8.797  -9.345   5.145
    4    HB3  GLU  76           HB3      GLU  76   7.208  -9.424   4.395
    5    HG2  GLU  76           HG2      GLU  76   7.735 -11.489   3.330
    6    HG3  GLU  76           HG3      GLU  76   9.424 -11.371   3.822

  No H/Q in entry =           6
  In of MODEL    5
    1    HA   PRO  77           HA       PRO  77   7.451  -4.834   2.572
    2    HB2  PRO  77           HB2      PRO  77   4.624  -5.661   2.931
    3    HB3  PRO  77           HB3      PRO  77   5.326  -4.580   1.713
    4    HD2  PRO  77           HD2      PRO  77   5.658  -8.306   2.643
    5    HD3  PRO  77           HD3      PRO  77   6.824  -8.365   1.302
    6    HG2  PRO  77           HG2      PRO  77   4.541  -7.024   1.040
    7    HG3  PRO  77           HG3      PRO  77   6.052  -6.360   0.389

  No H/Q in entry =           7
  In of MODEL    5
    1    H    SER  78           H        SER  78   6.946  -7.118   4.979
    2    HA   SER  78           HA       SER  78   6.138  -5.094   6.937
    3    HB2  SER  78           HB2      SER  78   4.933  -7.293   6.918
    4    HB3  SER  78           HB3      SER  78   6.455  -8.090   7.309
    5    HG   SER  78           HG       SER  78   6.199  -7.546   9.313

  No H/Q in entry =           5
  In of MODEL    5
    1    H    SER  79           H        SER  79   7.677  -4.169   8.161
    2    HA   SER  79           HA       SER  79  10.409  -4.823   7.705
    3    HB2  SER  79           HB2      SER  79  10.830  -3.005   9.390
    4    HB3  SER  79           HB3      SER  79   9.811  -2.522   8.036
    5    HG   SER  79           HG       SER  79   9.242  -2.629  10.703

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LEU  80           H        LEU  80   8.080  -5.845   9.972
    2    HA   LEU  80           HA       LEU  80  10.167  -7.246  11.491
    3    HB2  LEU  80           HB2      LEU  80   7.604  -6.047  12.546
    4    HB3  LEU  80           HB3      LEU  80   8.623  -7.142  13.461
    5   HD11  LEU  80          HD11      LEU  80   8.771  -5.373  15.232
    6   HD13  LEU  80          HD12      LEU  80   7.812  -4.274  14.241
    7   HD12  LEU  80          HD13      LEU  80   9.404  -3.780  14.816
    8   HD21  LEU  80          HD21      LEU  80  10.891  -6.414  14.201
    9   HD23  LEU  80          HD22      LEU  80  11.435  -4.773  13.858
   10   HD22  LEU  80          HD23      LEU  80  11.331  -5.955  12.556
   11    HG   LEU  80           HG       LEU  80   9.454  -4.419  12.454

  No H/Q in entry =          11
  In of MODEL    5
    1    H    TRP  81           H        TRP  81   9.455  -9.302  12.411
    2    HA   TRP  81           HA       TRP  81   7.604 -10.624  10.557
    3    HB2  TRP  81           HB2      TRP  81   9.659 -11.858  12.410
    4    HB3  TRP  81           HB3      TRP  81   8.720 -12.700  11.180
    5    HD1  TRP  81           HD1      TRP  81   9.342 -12.111   8.578
    6    HE1  TRP  81           HE1      TRP  81  11.581 -11.390   7.537
    7    HE3  TRP  81           HE3      TRP  81  11.747 -10.586  12.824
    8    HH2  TRP  81           HH2      TRP  81  15.173  -9.601  10.470
    9    HZ2  TRP  81           HZ2      TRP  81  14.047 -10.321   8.409
   10    HZ3  TRP  81           HZ3      TRP  81  14.044  -9.731  12.637

  No H/Q in entry =          10
  In of MODEL    5
    1    H1   SER 101           H1       SER 101   1.102  19.054   1.551
    2    H2   SER 101           H3       SER 101   0.006  19.129   2.845
    3    H3   SER 101           H2       SER 101   0.970  20.469   2.478
    4    HA   SER 101           HA       SER 101   2.945  19.282   3.065
    5    HB2  SER 101           HB2      SER 101   2.383  18.985   5.536
    6    HB3  SER 101           HB3      SER 101   1.998  20.555   4.832
    7    HG   SER 101           HG       SER 101   0.093  20.171   5.650

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLN 102           H        GLN 102   2.855  17.381   5.265
    2    HA   GLN 102           HA       GLN 102   3.474  15.089   3.838
    3    HB2  GLN 102           HB2      GLN 102   2.663  15.324   6.736
    4    HB3  GLN 102           HB3      GLN 102   3.403  13.902   6.017
    5   HE21  GLN 102          HE21      GLN 102   6.250  16.835   7.785
    6   HE22  GLN 102          HE22      GLN 102   6.397  15.734   9.112
    7    HG2  GLN 102           HG2      GLN 102   5.400  15.212   5.487
    8    HG3  GLN 102           HG3      GLN 102   4.656  16.632   6.224

  No H/Q in entry =           8
  In of MODEL    5
    1    H    GLU 103           H        GLU 103   0.406  15.899   5.436
    2    HA   GLU 103           HA       GLU 103  -0.777  13.365   5.202
    3    HB2  GLU 103           HB2      GLU 103  -2.088  16.084   5.264
    4    HB3  GLU 103           HB3      GLU 103  -2.932  14.554   5.475
    5    HG2  GLU 103           HG2      GLU 103  -0.771  15.652   7.243
    6    HG3  GLU 103           HG3      GLU 103  -2.493  15.589   7.619

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LYS 104           H        LYS 104  -1.242  16.214   3.085
    2    HA   LYS 104           HA       LYS 104  -2.803  14.901   1.164
    3    HB2  LYS 104           HB2      LYS 104  -1.142  17.373   1.175
    4    HB3  LYS 104           HB3      LYS 104  -1.681  16.750  -0.378
    5    HD2  LYS 104           HD2      LYS 104  -2.582  19.465   1.025
    6    HD3  LYS 104           HD3      LYS 104  -2.848  18.900  -0.626
    7    HE2  LYS 104           HE2      LYS 104  -4.534  20.557   0.289
    8    HE3  LYS 104           HE3      LYS 104  -5.188  19.080  -0.419
    9    HG2  LYS 104           HG2      LYS 104  -3.990  16.892   0.336
   10    HG3  LYS 104           HG3      LYS 104  -3.481  17.439   1.935
   11    HZ1  LYS 104           HZ1      LYS 104  -4.676  19.280   2.481
   12    HZ3  LYS 104           HZ2      LYS 104  -5.722  18.228   1.652
   13    HZ2  LYS 104           HZ3      LYS 104  -6.117  19.867   1.813

  No H/Q in entry =          13
  In of MODEL    5
    1    H    PHE 105           H        PHE 105   0.671  15.047   1.569
    2    HA   PHE 105           HA       PHE 105   1.196  13.959  -1.030
    3    HB2  PHE 105           HB2      PHE 105   2.850  15.390   0.064
    4    HB3  PHE 105           HB3      PHE 105   2.983  14.259   1.404
    5    HD1  PHE 105           HD1      PHE 105   3.576  14.615  -2.239
    6    HD2  PHE 105           HD2      PHE 105   4.517  12.506   1.333
    7    HE1  PHE 105           HE1      PHE 105   5.395  13.450  -3.410
    8    HE2  PHE 105           HE2      PHE 105   6.343  11.336   0.167
    9    HZ   PHE 105           HZ       PHE 105   6.782  11.810  -2.209

  No H/Q in entry =           9
  In of MODEL    5
    1    H    PHE 106           H        PHE 106   0.414  12.618   2.074
    2    HA   PHE 106           HA       PHE 106   1.401  10.010   1.189
    3    HB2  PHE 106           HB2      PHE 106   1.573  11.076   3.621
    4    HB3  PHE 106           HB3      PHE 106   0.002  10.294   3.792
    5    HD1  PHE 106           HD1      PHE 106  -0.124   8.058   4.338
    6    HD2  PHE 106           HD2      PHE 106   3.494   9.603   2.717
    7    HE1  PHE 106           HE1      PHE 106   0.982   5.905   4.769
    8    HE2  PHE 106           HE2      PHE 106   4.608   7.452   3.149
    9    HZ   PHE 106           HZ       PHE 106   3.364   5.593   4.101

  No H/Q in entry =           9
  In of MODEL    5
    1    H    GLN 107           H        GLN 107  -1.595  11.732   1.730
    2    HA   GLN 107           HA       GLN 107  -3.124   9.274   1.266
    3    HB2  GLN 107           HB2      GLN 107  -4.035  12.032   2.103
    4    HB3  GLN 107           HB3      GLN 107  -5.086  10.641   1.910
    5   HE21  GLN 107          HE21      GLN 107  -2.054   8.777   3.446
    6   HE22  GLN 107          HE22      GLN 107  -2.958   7.364   3.851
    7    HG2  GLN 107           HG2      GLN 107  -2.819  10.843   3.874
    8    HG3  GLN 107           HG3      GLN 107  -4.526  11.078   4.252

  No H/Q in entry =           8
  In of MODEL    5
    1    H    GLU 108           H        GLU 108  -2.802  12.558  -0.042
    2    HA   GLU 108           HA       GLU 108  -4.803  12.057  -2.048
    3    HB2  GLU 108           HB2      GLU 108  -4.431  14.262  -0.878
    4    HB3  GLU 108           HB3      GLU 108  -2.957  14.432  -1.831
    5    HG2  GLU 108           HG2      GLU 108  -4.186  14.542  -3.855
    6    HG3  GLU 108           HG3      GLU 108  -5.678  14.046  -3.054

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LEU 109           H        LEU 109  -1.310  12.167  -1.883
    2    HA   LEU 109           HA       LEU 109  -0.674  12.313  -4.604
    3    HB2  LEU 109           HB2      LEU 109   0.851  12.362  -2.509
    4    HB3  LEU 109           HB3      LEU 109   0.852  10.610  -2.645
    5   HD13  LEU 109          HD11      LEU 109   2.519   9.558  -3.993
    6   HD12  LEU 109          HD12      LEU 109   3.054  10.332  -5.487
    7   HD11  LEU 109          HD13      LEU 109   1.362   9.872  -5.287
    8   HD23  LEU 109          HD21      LEU 109   0.793  12.348  -5.830
    9   HD22  LEU 109          HD22      LEU 109   2.522  12.672  -5.948
   10   HD21  LEU 109          HD23      LEU 109   1.524  13.605  -4.833
   11    HG   LEU 109           HG       LEU 109   2.824  11.929  -3.641

  No H/Q in entry =          11
  In of MODEL    5
    1    H    PHE 110           H        PHE 110  -1.802   9.694  -2.623
    2    HA   PHE 110           HA       PHE 110  -1.103   7.563  -4.319
    3    HB2  PHE 110           HB2      PHE 110  -1.788   7.346  -1.909
    4    HB3  PHE 110           HB3      PHE 110  -3.447   7.651  -2.414
    5    HD1  PHE 110           HD1      PHE 110  -4.753   5.977  -3.474
    6    HD2  PHE 110           HD2      PHE 110  -0.641   5.277  -2.627
    7    HE1  PHE 110           HE1      PHE 110  -5.065   3.585  -3.955
    8    HE2  PHE 110           HE2      PHE 110  -0.947   2.884  -3.106
    9    HZ   PHE 110           HZ       PHE 110  -3.128   2.033  -3.781

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ASP 111           H        ASP 111  -4.174   9.331  -3.939
    2    HA   ASP 111           HA       ASP 111  -5.750   7.803  -5.597
    3    HB2  ASP 111           HB2      ASP 111  -6.665   9.585  -4.196
    4    HB3  ASP 111           HB3      ASP 111  -5.898  10.799  -5.216

  No H/Q in entry =           4
  In of MODEL    5
    1    H    SER 112           H        SER 112  -4.303  10.908  -6.631
    2    HA   SER 112           HA       SER 112  -3.862   9.717  -9.264
    3    HB2  SER 112           HB2      SER 112  -5.287  12.359  -8.843
    4    HB3  SER 112           HB3      SER 112  -4.879  11.637 -10.399
    5    HG   SER 112           HG       SER 112  -6.739  10.712  -8.451

  No H/Q in entry =           5
  In of MODEL    6
    1    H1   GLY  12           H1       GLY  12  -6.881 -10.268  12.406
    2    H2   GLY  12           H3       GLY  12  -6.533 -11.805  13.031
    3    H3   GLY  12           H2       GLY  12  -6.076 -11.414  11.447
    4    HA2  GLY  12           HA2      GLY  12  -8.837 -11.724  12.479
    5    HA3  GLY  12           HA3      GLY  12  -8.011 -12.808  11.365

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ALA  13           H        ALA  13  -7.927 -12.311   9.204
    2    HA   ALA  13           HA       ALA  13  -8.336  -9.790   8.064
    3    HB3  ALA  13           HB1      ALA  13  -7.340 -11.673   6.857
    4    HB1  ALA  13           HB2      ALA  13  -8.695 -10.984   5.964
    5    HB2  ALA  13           HB3      ALA  13  -8.902 -12.494   6.850

  No H/Q in entry =           5
  In of MODEL    6
    1    H    MET  14           H        MET  14 -10.655 -12.487   8.364
    2    HA   MET  14           HA       MET  14 -12.839 -10.821   7.481
    3    HB2  MET  14           HB2      MET  14 -12.764 -13.643   8.552
    4    HB3  MET  14           HB3      MET  14 -14.230 -12.846   7.999
    5    HE1  MET  14           HE1      MET  14 -13.571 -14.065   3.702
    6    HE3  MET  14           HE2      MET  14 -12.026 -13.216   3.639
    7    HE2  MET  14           HE3      MET  14 -13.445 -12.530   2.843
    8    HG2  MET  14           HG2      MET  14 -11.789 -13.403   6.328
    9    HG3  MET  14           HG3      MET  14 -13.294 -14.320   6.302

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ALA  15           H        ALA  15 -11.313 -10.299  10.051
    2    HA   ALA  15           HA       ALA  15 -13.685 -10.067  11.788
    3    HB1  ALA  15           HB1      ALA  15 -12.136  -9.890  13.679
    4    HB2  ALA  15           HB2      ALA  15 -10.770 -10.090  12.580
    5    HB3  ALA  15           HB3      ALA  15 -11.917 -11.410  12.810

  No H/Q in entry =           5
  In of MODEL    6
    1    H    THR  16           H        THR  16 -12.077  -8.428   9.577
    2    HA   THR  16           HA       THR  16 -12.419  -5.845  10.941
    3    HB   THR  16           HB       THR  16 -10.471  -4.979   9.630
    4    HG1  THR  16           HG1      THR  16 -10.375  -7.686   8.852
    5   HG23  THR  16          HG21      THR  16 -10.173  -5.591  11.971
    6   HG22  THR  16          HG22      THR  16  -8.725  -5.972  11.040
    7   HG21  THR  16          HG23      THR  16  -9.837  -7.259  11.506

  No H/Q in entry =           7
  In of MODEL    6
    1    HA   PRO  17           HA       PRO  17 -14.702  -4.655   7.316
    2    HB2  PRO  17           HB2      PRO  17 -13.384  -2.033   7.282
    3    HB3  PRO  17           HB3      PRO  17 -15.075  -2.431   7.593
    4    HD2  PRO  17           HD2      PRO  17 -11.783  -3.207   9.493
    5    HD3  PRO  17           HD3      PRO  17 -12.905  -3.949  10.654
    6    HG2  PRO  17           HG2      PRO  17 -13.434  -1.571   9.544
    7    HG3  PRO  17           HG3      PRO  17 -14.724  -2.750   9.849

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLY  18           H        GLY  18 -11.354  -4.861   7.314
    2    HA3  GLY  18           HA2      GLY  18 -10.842  -3.894   4.651
    3    HA2  GLY  18           HA3      GLY  18  -9.725  -4.781   5.680

  No H/Q in entry =           3
  In of MODEL    6
    1    H    SER  19           H        SER  19 -12.849  -5.411   4.135
    2    HA   SER  19           HA       SER  19 -11.719  -7.704   2.736
    3    HB2  SER  19           HB2      SER  19 -12.561  -8.601   4.888
    4    HB3  SER  19           HB3      SER  19 -14.148  -7.914   4.548
    5    HG   SER  19           HG       SER  19 -13.288 -10.280   3.880

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLU  20           H        GLU  20 -14.558  -5.713   3.410
    2    HA   GLU  20           HA       GLU  20 -15.854  -6.392   0.936
    3    HB2  GLU  20           HB2      GLU  20 -17.534  -4.722   1.682
    4    HB3  GLU  20           HB3      GLU  20 -17.195  -5.937   2.902
    5    HG2  GLU  20           HG2      GLU  20 -15.933  -4.459   4.161
    6    HG3  GLU  20           HG3      GLU  20 -15.864  -3.261   2.877

  No H/Q in entry =           6
  In of MODEL    6
    1    H    ASN  21           H        ASN  21 -13.628  -3.979   1.991
    2    HA   ASN  21           HA       ASN  21 -14.253  -2.301  -0.336
    3    HB2  ASN  21           HB2      ASN  21 -12.930  -0.530   0.877
    4    HB3  ASN  21           HB3      ASN  21 -14.429  -1.014   1.659
    5   HD21  ASN  21          HD21      ASN  21 -13.686  -0.242   3.642
    6   HD22  ASN  21          HD22      ASN  21 -12.509  -1.106   4.568

  No H/Q in entry =           6
  In of MODEL    6
    1    H    VAL  22           H        VAL  22 -12.117  -4.648   0.577
    2    HA   VAL  22           HA       VAL  22  -9.843  -3.442  -0.791
    3    HB   VAL  22           HB       VAL  22  -8.571  -5.446  -0.166
    4   HG12  VAL  22          HG11      VAL  22 -10.056  -4.179   2.125
    5   HG11  VAL  22          HG12      VAL  22  -8.607  -3.548   1.342
    6   HG13  VAL  22          HG13      VAL  22  -8.534  -5.057   2.253
    7   HG23  VAL  22          HG21      VAL  22  -9.549  -7.076   1.419
    8   HG22  VAL  22          HG22      VAL  22 -10.282  -7.135  -0.185
    9   HG21  VAL  22          HG23      VAL  22 -11.133  -6.343   1.147

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LEU  23           H        LEU  23 -10.404  -3.345  -2.891
    2    HA   LEU  23           HA       LEU  23 -11.074  -5.856  -4.239
    3    HB2  LEU  23           HB2      LEU  23 -11.012  -3.025  -5.294
    4    HB3  LEU  23           HB3      LEU  23 -11.505  -4.437  -6.209
    5   HD13  LEU  23          HD11      LEU  23 -13.162  -1.892  -5.679
    6   HD12  LEU  23          HD12      LEU  23 -14.675  -2.729  -5.337
    7   HD11  LEU  23          HD13      LEU  23 -13.662  -3.254  -6.680
    8   HD23  LEU  23          HD21      LEU  23 -13.682  -5.583  -5.670
    9   HD22  LEU  23          HD22      LEU  23 -14.663  -4.979  -4.333
   10   HD21  LEU  23          HD23      LEU  23 -13.135  -5.798  -4.008
   11    HG   LEU  23           HG       LEU  23 -12.920  -3.370  -3.762

  No H/Q in entry =          11
  In of MODEL    6
    1    HA   PRO  24           HA       PRO  24  -6.590  -5.997  -5.051
    2    HB2  PRO  24           HB2      PRO  24  -7.467  -8.657  -6.042
    3    HB3  PRO  24           HB3      PRO  24  -6.155  -8.251  -4.933
    4    HD2  PRO  24           HD2      PRO  24  -9.988  -7.936  -4.931
    5    HD3  PRO  24           HD3      PRO  24  -9.749  -7.194  -3.332
    6    HG2  PRO  24           HG2      PRO  24  -8.378  -9.368  -4.029
    7    HG3  PRO  24           HG3      PRO  24  -7.599  -8.060  -3.116

  No H/Q in entry =           7
  In of MODEL    6
    1    H    ARG  25           H        ARG  25  -6.855  -4.434  -6.720
    2    HA   ARG  25           HA       ARG  25  -7.276  -5.580  -9.395
    3    HB2  ARG  25           HB2      ARG  25  -8.248  -2.926  -8.334
    4    HB3  ARG  25           HB3      ARG  25  -8.229  -3.342 -10.042
    5    HD2  ARG  25           HD2      ARG  25 -10.783  -2.674  -8.352
    6    HD3  ARG  25           HD3      ARG  25 -10.633  -2.932 -10.090
    7    HE   ARG  25           HE       ARG  25 -12.105  -5.058  -9.017
    8    HG2  ARG  25           HG2      ARG  25  -9.740  -5.206  -9.609
    9    HG3  ARG  25           HG3      ARG  25  -9.750  -4.795  -7.893
   10   HH11  ARG  25          HH11      ARG  25 -12.424  -1.586  -9.428
   11   HH12  ARG  25          HH12      ARG  25 -14.150  -1.653  -9.657
   12   HH21  ARG  25          HH21      ARG  25 -14.376  -5.128  -9.284
   13   HH22  ARG  25          HH22      ARG  25 -15.250  -3.654  -9.578

  No H/Q in entry =          13
  In of MODEL    6
    1    H    GLU  26           H        GLU  26  -6.326  -4.151 -11.133
    2    HA   GLU  26           HA       GLU  26  -3.570  -3.804 -10.443
    3    HB2  GLU  26           HB2      GLU  26  -5.015  -3.390 -13.051
    4    HB3  GLU  26           HB3      GLU  26  -3.266  -3.334 -12.850
    5    HG2  GLU  26           HG2      GLU  26  -3.271  -5.643 -12.081
    6    HG3  GLU  26           HG3      GLU  26  -5.022  -5.705 -12.260

  No H/Q in entry =           6
  In of MODEL    6
    1    HA   PRO  27           HA       PRO  27  -4.699   0.871 -11.854
    2    HB2  PRO  27           HB2      PRO  27  -6.952   1.511 -10.266
    3    HB3  PRO  27           HB3      PRO  27  -6.882   1.427 -12.028
    4    HD2  PRO  27           HD2      PRO  27  -6.899  -2.410 -11.167
    5    HD3  PRO  27           HD3      PRO  27  -6.672  -1.495 -12.674
    6    HG2  PRO  27           HG2      PRO  27  -7.811  -0.585 -10.056
    7    HG3  PRO  27           HG3      PRO  27  -8.395  -0.267 -11.699

  No H/Q in entry =           7
  In of MODEL    6
    1    H    LEU  28           H        LEU  28  -5.642  -0.417  -8.645
    2    HA   LEU  28           HA       LEU  28  -4.455   1.836  -7.334
    3    HB2  LEU  28           HB2      LEU  28  -4.907   0.496  -5.229
    4    HB3  LEU  28           HB3      LEU  28  -6.284   1.011  -6.176
    5   HD13  LEU  28          HD11      LEU  28  -4.058  -2.013  -6.506
    6   HD12  LEU  28          HD12      LEU  28  -5.276  -3.086  -5.814
    7   HD11  LEU  28          HD13      LEU  28  -4.508  -1.857  -4.808
    8   HD22  LEU  28          HD21      LEU  28  -7.499  -2.252  -5.257
    9   HD21  LEU  28          HD22      LEU  28  -7.924  -0.562  -5.531
   10   HD23  LEU  28          HD23      LEU  28  -6.818  -0.993  -4.227
   11    HG   LEU  28           HG       LEU  28  -6.299  -1.336  -7.171

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ILE  29           H        ILE  29  -3.373  -1.344  -8.237
    2    HA   ILE  29           HA       ILE  29  -1.037  -1.435  -6.637
    3    HB   ILE  29           HB       ILE  29  -1.490  -2.619  -9.389
    4   HD13  ILE  29          HD11      ILE  29  -2.730  -5.777  -7.865
    5   HD12  ILE  29          HD12      ILE  29  -1.068  -5.507  -8.385
    6   HD11  ILE  29          HD13      ILE  29  -2.406  -4.968  -9.398
    7   HG12  ILE  29          HG12      ILE  29  -1.711  -3.916  -6.666
    8   HG13  ILE  29          HG13      ILE  29  -3.079  -3.396  -7.644
    9   HG22  ILE  29          HG21      ILE  29   0.353  -4.140  -8.808
   10   HG21  ILE  29          HG22      ILE  29   0.618  -3.230  -7.320
   11   HG23  ILE  29          HG23      ILE  29   0.875  -2.457  -8.884

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ALA  30           H        ALA  30  -1.637  -0.322  -9.955
    2    HA   ALA  30           HA       ALA  30   0.922   0.641 -10.528
    3    HB1  ALA  30           HB1      ALA  30  -0.787   0.369 -12.237
    4    HB3  ALA  30           HB2      ALA  30  -0.174   2.022 -12.239
    5    HB2  ALA  30           HB3      ALA  30  -1.742   1.663 -11.516

  No H/Q in entry =           5
  In of MODEL    6
    1    H    THR  31           H        THR  31  -1.825   2.184  -8.948
    2    HA   THR  31           HA       THR  31  -0.676   4.741  -8.652
    3    HB   THR  31           HB       THR  31  -2.723   3.441  -6.846
    4    HG1  THR  31           HG1      THR  31  -3.391   3.457  -9.063
    5   HG21  THR  31          HG21      THR  31  -2.075   6.340  -7.400
    6   HG23  THR  31          HG22      THR  31  -1.771   5.471  -5.897
    7   HG22  THR  31          HG23      THR  31  -3.426   5.769  -6.425

  No H/Q in entry =           7
  In of MODEL    6
    1    H    ALA  32           H        ALA  32  -0.633   1.850  -6.614
    2    HA   ALA  32           HA       ALA  32   0.696   3.025  -4.408
    3    HB1  ALA  32           HB1      ALA  32  -0.565   0.912  -4.263
    4    HB2  ALA  32           HB2      ALA  32   1.079   0.754  -3.646
    5    HB3  ALA  32           HB3      ALA  32   0.673   0.125  -5.242

  No H/Q in entry =           5
  In of MODEL    6
    1    H    VAL  33           H        VAL  33   1.867   1.351  -7.302
    2    HA   VAL  33           HA       VAL  33   4.565   1.164  -6.521
    3    HB   VAL  33           HB       VAL  33   3.384   1.341  -9.304
    4   HG12  VAL  33          HG11      VAL  33   6.151   0.469  -8.470
    5   HG11  VAL  33          HG12      VAL  33   5.760   1.976  -9.296
    6   HG13  VAL  33          HG13      VAL  33   5.494   0.434 -10.104
    7   HG23  VAL  33          HG21      VAL  33   3.725  -1.094  -9.307
    8   HG22  VAL  33          HG22      VAL  33   2.608  -0.582  -8.044
    9   HG21  VAL  33          HG23      VAL  33   4.267  -1.008  -7.632

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LYS  34           H        LYS  34   2.897   3.672  -8.475
    2    HA   LYS  34           HA       LYS  34   5.222   5.289  -8.705
    3    HB2  LYS  34           HB2      LYS  34   3.867   6.952  -9.696
    4    HB3  LYS  34           HB3      LYS  34   3.215   5.417 -10.227
    5    HD2  LYS  34           HD2      LYS  34   2.303   7.428  -7.014
    6    HD3  LYS  34           HD3      LYS  34   2.744   8.420  -8.408
    7    HE2  LYS  34           HE2      LYS  34  -0.100   7.714  -7.765
    8    HE3  LYS  34           HE3      LYS  34   0.714   9.114  -7.070
    9    HG2  LYS  34           HG2      LYS  34   1.348   6.737  -9.776
   10    HG3  LYS  34           HG3      LYS  34   1.493   5.693  -8.362
   11    HZ2  LYS  34           HZ1      LYS  34   0.161   8.586  -9.935
   12    HZ1  LYS  34           HZ2      LYS  34   1.189   9.823  -9.397
   13    HZ3  LYS  34           HZ3      LYS  34  -0.452   9.848  -8.976

  No H/Q in entry =          13
  In of MODEL    6
    1    H    PHE  35           H        PHE  35   2.672   5.036  -6.362
    2    HA   PHE  35           HA       PHE  35   3.110   7.356  -4.870
    3    HB2  PHE  35           HB2      PHE  35   1.185   5.913  -4.524
    4    HB3  PHE  35           HB3      PHE  35   2.232   4.614  -3.968
    5    HD1  PHE  35           HD1      PHE  35   1.213   8.080  -3.208
    6    HD2  PHE  35           HD2      PHE  35   2.756   4.408  -1.741
    7    HE1  PHE  35           HE1      PHE  35   1.029   8.928  -0.925
    8    HE2  PHE  35           HE2      PHE  35   2.579   5.238   0.561
    9    HZ   PHE  35           HZ       PHE  35   1.707   7.507   0.980

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LEU  36           H        LEU  36   4.418   4.101  -4.447
    2    HA   LEU  36           HA       LEU  36   6.069   4.594  -2.260
    3    HB2  LEU  36           HB2      LEU  36   5.836   2.507  -4.338
    4    HB3  LEU  36           HB3      LEU  36   7.370   2.586  -3.495
    5   HD11  LEU  36          HD11      LEU  36   6.677   3.163  -0.756
    6   HD13  LEU  36          HD12      LEU  36   7.587   1.734  -1.256
    7   HD12  LEU  36          HD13      LEU  36   6.162   1.561  -0.230
    8   HD23  LEU  36          HD21      LEU  36   4.301   3.473  -1.664
    9   HD22  LEU  36          HD22      LEU  36   3.920   1.833  -1.136
   10   HD21  LEU  36          HD23      LEU  36   3.680   2.296  -2.820
   11    HG   LEU  36           HG       LEU  36   5.705   0.958  -2.555

  No H/Q in entry =          11
  In of MODEL    6
    1    H    GLN  37           H        GLN  37   6.862   4.681  -5.724
    2    HA   GLN  37           HA       GLN  37   9.625   5.344  -5.064
    3    HB2  GLN  37           HB2      GLN  37   8.339   4.820  -7.748
    4    HB3  GLN  37           HB3      GLN  37  10.062   5.009  -7.449
    5   HE21  GLN  37          HE21      GLN  37   8.515   0.840  -7.256
    6   HE22  GLN  37          HE22      GLN  37   9.145   0.611  -8.851
    7    HG2  GLN  37           HG2      GLN  37  10.070   3.009  -6.083
    8    HG3  GLN  37           HG3      GLN  37   8.329   2.831  -6.306

  No H/Q in entry =           8
  In of MODEL    6
    1    H    ASN  38           H        ASN  38   6.988   7.152  -5.199
    2    HA   ASN  38           HA       ASN  38   7.467   9.118  -7.133
    3    HB2  ASN  38           HB2      ASN  38   5.358   8.815  -5.737
    4    HB3  ASN  38           HB3      ASN  38   6.202   9.665  -4.449
    5   HD21  ASN  38          HD21      ASN  38   6.702  11.868  -4.710
    6   HD22  ASN  38          HD22      ASN  38   5.890  12.835  -5.890

  No H/Q in entry =           6
  In of MODEL    6
    1    H    SER  39           H        SER  39   8.552   8.904  -3.749
    2    HA   SER  39           HA       SER  39  10.736  10.689  -4.326
    3    HB2  SER  39           HB2      SER  39   8.715  11.568  -2.247
    4    HB3  SER  39           HB3      SER  39  10.172  12.427  -2.741
    5    HG   SER  39           HG       SER  39   9.032  12.248  -4.950

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ARG  40           H        ARG  40   8.903   9.628  -1.429
    2    HA   ARG  40           HA       ARG  40  11.441   8.590  -0.390
    3    HB2  ARG  40           HB2      ARG  40  11.036   9.622   1.774
    4    HB3  ARG  40           HB3      ARG  40  11.109  10.834   0.506
    5    HD2  ARG  40           HD2      ARG  40   8.382  12.124   2.566
    6    HD3  ARG  40           HD3      ARG  40   9.861  11.396   3.193
    7    HE   ARG  40           HE       ARG  40  10.843  12.564   1.054
    8    HG2  ARG  40           HG2      ARG  40   8.639  10.906   0.480
    9    HG3  ARG  40           HG3      ARG  40   8.631   9.790   1.848
   10   HH11  ARG  40          HH11      ARG  40   8.505  13.814   3.350
   11   HH12  ARG  40          HH12      ARG  40   8.914  15.475   3.040
   12   HH21  ARG  40          HH21      ARG  40  11.391  14.743   0.682
   13   HH22  ARG  40          HH22      ARG  40  10.561  16.001   1.552

  No H/Q in entry =          13
  In of MODEL    6
    1    H    VAL  41           H        VAL  41   8.222   7.903  -0.981
    2    HA   VAL  41           HA       VAL  41   7.341   6.718   1.386
    3    HB   VAL  41           HB       VAL  41   6.577   5.923  -1.426
    4   HG12  VAL  41          HG11      VAL  41   4.518   5.087  -0.363
    5   HG11  VAL  41          HG12      VAL  41   5.206   5.444   1.221
    6   HG13  VAL  41          HG13      VAL  41   5.952   4.224   0.188
    7   HG21  VAL  41          HG21      VAL  41   5.314   7.886   0.484
    8   HG23  VAL  41          HG22      VAL  41   4.663   7.405  -1.083
    9   HG22  VAL  41          HG23      VAL  41   6.188   8.289  -0.995

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ARG  42           H        ARG  42   9.183   5.283  -1.285
    2    HA   ARG  42           HA       ARG  42   9.025   2.632  -0.312
    3    HB2  ARG  42           HB2      ARG  42   9.712   3.361  -2.648
    4    HB3  ARG  42           HB3      ARG  42  11.291   3.748  -1.975
    5    HD2  ARG  42           HD2      ARG  42  11.484   0.330  -3.574
    6    HD3  ARG  42           HD3      ARG  42  10.639   1.760  -4.164
    7    HE   ARG  42           HE       ARG  42  12.900   2.802  -3.120
    8    HG2  ARG  42           HG2      ARG  42  11.632   1.450  -1.341
    9    HG3  ARG  42           HG3      ARG  42  10.000   1.029  -1.856
   10   HH11  ARG  42          HH11      ARG  42  12.323   0.194  -5.386
   11   HH12  ARG  42          HH12      ARG  42  13.847   0.388  -6.195
   12   HH21  ARG  42          HH21      ARG  42  14.888   3.058  -4.174
   13   HH22  ARG  42          HH22      ARG  42  15.301   2.044  -5.529

  No H/Q in entry =          13
  In of MODEL    6
    1    H    GLN  43           H        GLN  43  10.895   5.365   0.631
    2    HA   GLN  43           HA       GLN  43  12.690   3.719   2.268
    3    HB2  GLN  43           HB2      GLN  43  12.642   6.730   1.980
    4    HB3  GLN  43           HB3      GLN  43  13.890   5.775   2.762
    5   HE21  GLN  43          HE21      GLN  43  14.160   8.110  -0.099
    6   HE22  GLN  43          HE22      GLN  43  13.043   8.166  -1.421
    7    HG2  GLN  43           HG2      GLN  43  14.897   6.183   0.772
    8    HG3  GLN  43           HG3      GLN  43  14.074   4.676   0.379

  No H/Q in entry =           8
  In of MODEL    6
    1    H    SER  44           H        SER  44   9.672   5.027   2.500
    2    HA   SER  44           HA       SER  44   9.846   6.088   5.182
    3    HB2  SER  44           HB2      SER  44   7.433   5.568   3.425
    4    HB3  SER  44           HB3      SER  44   7.428   6.477   4.936
    5    HG   SER  44           HG       SER  44   9.266   7.301   3.032

  No H/Q in entry =           5
  In of MODEL    6
    1    HA   PRO  45           HA       PRO  45   9.002   2.683   7.826
    2    HB2  PRO  45           HB2      PRO  45   6.468   4.133   8.495
    3    HB3  PRO  45           HB3      PRO  45   7.658   3.396   9.575
    4    HD2  PRO  45           HD2      PRO  45   7.807   6.307   6.938
    5    HD3  PRO  45           HD3      PRO  45   9.540   6.103   7.256
    6    HG2  PRO  45           HG2      PRO  45   7.643   6.019   9.210
    7    HG3  PRO  45           HG3      PRO  45   9.176   5.135   9.303

  No H/Q in entry =           7
  In of MODEL    6
    1    H    LEU  46           H        LEU  46   8.333   0.761   7.279
    2    HA   LEU  46           HA       LEU  46   6.346   0.280   5.325
    3    HB2  LEU  46           HB2      LEU  46   7.703  -1.604   7.253
    4    HB3  LEU  46           HB3      LEU  46   6.621  -2.122   5.976
    5   HD12  LEU  46          HD11      LEU  46  10.050  -1.250   6.774
    6   HD11  LEU  46          HD12      LEU  46   9.540   0.278   6.059
    7   HD13  LEU  46          HD13      LEU  46  10.567  -0.824   5.143
    8   HD21  LEU  46          HD21      LEU  46   7.941  -3.341   4.502
    9   HD23  LEU  46          HD22      LEU  46   9.115  -3.424   5.813
   10   HD22  LEU  46          HD23      LEU  46   9.625  -2.914   4.205
   11    HG   LEU  46           HG       LEU  46   8.250  -0.921   4.379

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ALA  47           H        ALA  47   6.285   0.565   8.768
    2    HA   ALA  47           HA       ALA  47   3.906  -0.747   9.391
    3    HB1  ALA  47           HB1      ALA  47   5.433   0.184  11.072
    4    HB2  ALA  47           HB2      ALA  47   3.773   0.725  11.323
    5    HB3  ALA  47           HB3      ALA  47   4.953   1.813  10.596

  No H/Q in entry =           5
  In of MODEL    6
    1    H    THR  48           H        THR  48   4.416   2.584   8.262
    2    HA   THR  48           HA       THR  48   1.700   3.330   8.181
    3    HB   THR  48           HB       THR  48   3.974   4.346   6.466
    4    HG1  THR  48           HG1      THR  48   3.004   5.012   9.051
    5   HG22  THR  48          HG21      THR  48   2.557   6.370   6.230
    6   HG21  THR  48          HG22      THR  48   1.248   5.525   7.056
    7   HG23  THR  48          HG23      THR  48   1.825   4.944   5.493

  No H/Q in entry =           7
  In of MODEL    6
    1    H    ARG  49           H        ARG  49   3.881   2.014   5.717
    2    HA   ARG  49           HA       ARG  49   2.043   2.268   3.589
    3    HB2  ARG  49           HB2      ARG  49   4.345   0.335   3.698
    4    HB3  ARG  49           HB3      ARG  49   3.613   1.051   2.273
    5    HD2  ARG  49           HD2      ARG  49   5.588   2.274   1.356
    6    HD3  ARG  49           HD3      ARG  49   6.750   2.916   2.511
    7    HE   ARG  49           HE       ARG  49   6.038   0.063   2.549
    8    HG2  ARG  49           HG2      ARG  49   4.376   3.282   3.141
    9    HG3  ARG  49           HG3      ARG  49   5.308   2.397   4.349
   10   HH11  ARG  49          HH11      ARG  49   8.392   2.617   2.278
   11   HH12  ARG  49          HH12      ARG  49   9.755   1.545   2.187
   12   HH21  ARG  49          HH21      ARG  49   7.833  -1.379   2.400
   13   HH22  ARG  49          HH22      ARG  49   9.434  -0.727   2.276

  No H/Q in entry =          13
  In of MODEL    6
    1    H    ARG  50           H        ARG  50   2.605  -0.312   5.887
    2    HA   ARG  50           HA       ARG  50   1.241  -2.348   4.475
    3    HB2  ARG  50           HB2      ARG  50   2.349  -1.975   7.155
    4    HB3  ARG  50           HB3      ARG  50   0.934  -3.017   7.119
    5    HD2  ARG  50           HD2      ARG  50   4.557  -3.277   6.726
    6    HD3  ARG  50           HD3      ARG  50   3.466  -3.824   8.005
    7    HE   ARG  50           HE       ARG  50   4.847  -5.560   6.063
    8    HG2  ARG  50           HG2      ARG  50   2.010  -4.671   6.034
    9    HG3  ARG  50           HG3      ARG  50   2.977  -3.556   5.065
   10   HH11  ARG  50          HH11      ARG  50   3.087  -5.130   9.071
   11   HH12  ARG  50          HH12      ARG  50   3.450  -6.735   9.648
   12   HH21  ARG  50          HH21      ARG  50   5.309  -7.676   6.834
   13   HH22  ARG  50          HH22      ARG  50   4.703  -8.160   8.392

  No H/Q in entry =          13
  In of MODEL    6
    1    H    ALA  51           H        ALA  51   0.165  -0.274   7.167
    2    HA   ALA  51           HA       ALA  51  -2.540  -1.063   7.070
    3    HB2  ALA  51           HB1      ALA  51  -1.334   1.540   8.008
    4    HB1  ALA  51           HB2      ALA  51  -1.592   0.095   8.989
    5    HB3  ALA  51           HB3      ALA  51  -2.974   0.986   8.348

  No H/Q in entry =           5
  In of MODEL    6
    1    H    PHE  52           H        PHE  52  -0.722   1.484   5.505
    2    HA   PHE  52           HA       PHE  52  -2.669   2.955   4.209
    3    HB2  PHE  52           HB2      PHE  52  -0.244   3.447   4.299
    4    HB3  PHE  52           HB3      PHE  52   0.048   2.139   3.164
    5    HD1  PHE  52           HD1      PHE  52  -0.045   2.503   0.886
    6    HD2  PHE  52           HD2      PHE  52  -1.684   5.379   3.553
    7    HE1  PHE  52           HE1      PHE  52  -0.299   4.081  -0.975
    8    HE2  PHE  52           HE2      PHE  52  -1.949   6.957   1.694
    9    HZ   PHE  52           HZ       PHE  52  -1.223   6.316  -0.571

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LEU  53           H        LEU  53  -0.796   0.343   2.578
    2    HA   LEU  53           HA       LEU  53  -2.441   0.355   0.321
    3    HB2  LEU  53           HB2      LEU  53  -0.467  -1.593   1.401
    4    HB3  LEU  53           HB3      LEU  53  -1.530  -2.120   0.111
    5   HD11  LEU  53          HD11      LEU  53   1.341  -0.019   0.961
    6   HD13  LEU  53          HD12      LEU  53   0.151   1.225   0.572
    7   HD12  LEU  53          HD13      LEU  53   1.433   0.838  -0.578
    8   HD23  LEU  53          HD21      LEU  53   1.315  -2.195  -0.415
    9   HD22  LEU  53          HD22      LEU  53   1.360  -1.217  -1.883
   10   HD21  LEU  53          HD23      LEU  53   0.067  -2.395  -1.644
   11    HG   LEU  53           HG       LEU  53  -0.723  -0.134  -1.225

  No H/Q in entry =          11
  In of MODEL    6
    1    H    LYS  54           H        LYS  54  -2.757  -1.502   3.309
    2    HA   LYS  54           HA       LYS  54  -4.837  -3.181   2.362
    3    HB2  LYS  54           HB2      LYS  54  -3.463  -2.765   4.840
    4    HB3  LYS  54           HB3      LYS  54  -5.194  -2.777   5.145
    5    HD2  LYS  54           HD2      LYS  54  -3.527  -6.137   3.202
    6    HD3  LYS  54           HD3      LYS  54  -3.223  -4.499   2.622
    7    HE2  LYS  54           HE2      LYS  54  -1.181  -5.365   3.536
    8    HE3  LYS  54           HE3      LYS  54  -1.799  -4.120   4.622
    9    HG2  LYS  54           HG2      LYS  54  -4.290  -4.999   5.374
   10    HG3  LYS  54           HG3      LYS  54  -5.368  -4.932   3.978
   11    HZ2  LYS  54           HZ1      LYS  54  -0.993  -6.190   5.735
   12    HZ1  LYS  54           HZ2      LYS  54  -2.299  -7.021   5.036
   13    HZ3  LYS  54           HZ3      LYS  54  -2.579  -5.746   6.126

  No H/Q in entry =          13
  In of MODEL    6
    1    H    LYS  55           H        LYS  55  -4.820   0.015   3.849
    2    HA   LYS  55           HA       LYS  55  -7.681   0.215   3.977
    3    HB2  LYS  55           HB2      LYS  55  -5.483   2.265   4.236
    4    HB3  LYS  55           HB3      LYS  55  -7.190   2.661   4.376
    5    HD2  LYS  55           HD2      LYS  55  -4.969   2.956   6.570
    6    HD3  LYS  55           HD3      LYS  55  -6.635   3.529   6.635
    7    HE2  LYS  55           HE2      LYS  55  -5.435   1.494   8.505
    8    HE3  LYS  55           HE3      LYS  55  -5.623   3.208   8.868
    9    HG2  LYS  55           HG2      LYS  55  -7.413   1.209   6.292
   10    HG3  LYS  55           HG3      LYS  55  -5.732   0.694   6.128
   11    HZ1  LYS  55           HZ1      LYS  55  -8.030   2.937   8.565
   12    HZ3  LYS  55           HZ2      LYS  55  -7.427   1.966   9.818
   13    HZ2  LYS  55           HZ3      LYS  55  -7.812   1.273   8.321

  No H/Q in entry =          13
  In of MODEL    6
    1    H    LYS  56           H        LYS  56  -5.282   0.770   1.566
    2    HA   LYS  56           HA       LYS  56  -6.869   2.586   0.016
    3    HB2  LYS  56           HB2      LYS  56  -4.489   0.965  -0.889
    4    HB3  LYS  56           HB3      LYS  56  -5.178   2.358  -1.707
    5    HD2  LYS  56           HD2      LYS  56  -5.326   3.532   1.569
    6    HD3  LYS  56           HD3      LYS  56  -3.994   4.622   1.187
    7    HE2  LYS  56           HE2      LYS  56  -5.065   5.147  -0.947
    8    HE3  LYS  56           HE3      LYS  56  -6.400   4.077  -0.523
    9    HG2  LYS  56           HG2      LYS  56  -3.487   2.236   0.742
   10    HG3  LYS  56           HG3      LYS  56  -3.335   3.263  -0.679
   11    HZ1  LYS  56           HZ1      LYS  56  -6.805   5.524   1.428
   12    HZ3  LYS  56           HZ2      LYS  56  -7.045   6.301  -0.057
   13    HZ2  LYS  56           HZ3      LYS  56  -5.633   6.603   0.833

  No H/Q in entry =          13
  In of MODEL    6
    1    H    GLY  57           H        GLY  57  -6.842  -0.772   0.479
    2    HA3  GLY  57           HA2      GLY  57  -8.884  -1.865  -0.326
    3    HA2  GLY  57           HA3      GLY  57  -8.610  -1.066  -1.864

  No H/Q in entry =           3
  In of MODEL    6
    1    H    LEU  58           H        LEU  58  -5.872  -2.380  -0.202
    2    HA   LEU  58           HA       LEU  58  -5.809  -4.564  -2.169
    3    HB2  LEU  58           HB2      LEU  58  -3.573  -3.205  -0.669
    4    HB3  LEU  58           HB3      LEU  58  -3.356  -4.661  -1.621
    5   HD11  LEU  58          HD11      LEU  58  -4.811  -1.219  -2.075
    6   HD13  LEU  58          HD12      LEU  58  -3.658  -0.842  -3.356
    7   HD12  LEU  58          HD13      LEU  58  -3.085  -1.139  -1.713
    8   HD22  LEU  58          HD21      LEU  58  -2.156  -2.608  -4.238
    9   HD21  LEU  58          HD22      LEU  58  -2.266  -4.258  -3.622
   10   HD23  LEU  58          HD23      LEU  58  -1.553  -2.989  -2.624
   11    HG   LEU  58           HG       LEU  58  -4.431  -3.149  -3.516

  No H/Q in entry =          11
  In of MODEL    6
    1    H    THR  59           H        THR  59  -5.626  -6.637  -1.531
    2    HA   THR  59           HA       THR  59  -5.849  -7.269   1.278
    3    HB   THR  59           HB       THR  59  -5.686  -9.680   0.308
    4    HG1  THR  59           HG1      THR  59  -6.471  -9.620  -1.953
    5   HG23  THR  59          HG21      THR  59  -7.748  -8.724   1.168
    6   HG22  THR  59          HG22      THR  59  -8.069  -9.636  -0.307
    7   HG21  THR  59          HG23      THR  59  -8.013  -7.874  -0.354

  No H/Q in entry =           7
  In of MODEL    6
    1    H    ASP  60           H        ASP  60  -4.358  -9.230   1.997
    2    HA   ASP  60           HA       ASP  60  -1.752  -8.222   2.143
    3    HB2  ASP  60           HB2      ASP  60  -3.118 -10.673   3.026
    4    HB3  ASP  60           HB3      ASP  60  -1.377 -10.829   2.805

  No H/Q in entry =           4
  In of MODEL    6
    1    H    GLU  61           H        GLU  61  -3.074 -10.769   0.055
    2    HA   GLU  61           HA       GLU  61  -0.651 -11.550  -1.123
    3    HB2  GLU  61           HB2      GLU  61  -2.023 -12.372  -2.989
    4    HB3  GLU  61           HB3      GLU  61  -2.728 -12.801  -1.436
    5    HG2  GLU  61           HG2      GLU  61  -4.235 -10.824  -1.672
    6    HG3  GLU  61           HG3      GLU  61  -3.626 -10.633  -3.317

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLU  62           H        GLU  62  -2.830  -8.888  -1.837
    2    HA   GLU  62           HA       GLU  62  -1.493  -8.202  -4.283
    3    HB2  GLU  62           HB2      GLU  62  -4.004  -7.864  -3.545
    4    HB3  GLU  62           HB3      GLU  62  -3.383  -6.345  -2.913
    5    HG2  GLU  62           HG2      GLU  62  -4.262  -5.991  -5.112
    6    HG3  GLU  62           HG3      GLU  62  -2.509  -5.802  -5.151

  No H/Q in entry =           6
  In of MODEL    6
    1    H    ILE  63           H        ILE  63  -1.290  -7.232  -0.920
    2    HA   ILE  63           HA       ILE  63  -0.001  -4.751  -1.447
    3    HB   ILE  63           HB       ILE  63  -1.074  -5.096   0.725
    4   HD13  ILE  63          HD11      ILE  63  -0.209  -3.644   2.756
    5   HD12  ILE  63          HD12      ILE  63   1.509  -3.242   2.790
    6   HD11  ILE  63          HD13      ILE  63   0.982  -4.894   3.115
    7   HG12  ILE  63          HG12      ILE  63   1.910  -4.624   0.868
    8   HG13  ILE  63          HG13      ILE  63   0.681  -3.416   0.514
    9   HG21  ILE  63          HG21      ILE  63   1.145  -7.066   1.248
   10   HG23  ILE  63          HG22      ILE  63  -0.574  -7.433   1.117
   11   HG22  ILE  63          HG23      ILE  63   0.018  -6.459   2.459

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ASP  64           H        ASP  64   1.259  -8.042  -0.759
    2    HA   ASP  64           HA       ASP  64   3.969  -7.174  -0.919
    3    HB2  ASP  64           HB2      ASP  64   3.424  -9.878  -1.972
    4    HB3  ASP  64           HB3      ASP  64   4.672  -9.333  -0.881

  No H/Q in entry =           4
  In of MODEL    6
    1    H    MET  65           H        MET  65   1.593  -8.297  -3.266
    2    HA   MET  65           HA       MET  65   3.251  -8.580  -5.479
    3    HB2  MET  65           HB2      MET  65   0.864  -9.257  -5.363
    4    HB3  MET  65           HB3      MET  65   0.403  -7.567  -5.478
    5    HE1  MET  65           HE1      MET  65   3.784  -9.531  -6.464
    6    HE3  MET  65           HE2      MET  65   4.011  -8.780  -8.042
    7    HE2  MET  65           HE3      MET  65   4.229 -10.518  -7.855
    8    HG2  MET  65           HG2      MET  65   0.144  -8.356  -7.640
    9    HG3  MET  65           HG3      MET  65   1.711  -7.553  -7.679

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ALA  66           H        ALA  66   1.621  -5.678  -4.268
    2    HA   ALA  66           HA       ALA  66   2.520  -3.969  -6.347
    3    HB1  ALA  66           HB1      ALA  66   1.633  -3.236  -3.559
    4    HB3  ALA  66           HB2      ALA  66   0.560  -3.468  -4.939
    5    HB2  ALA  66           HB3      ALA  66   1.736  -2.152  -4.946

  No H/Q in entry =           5
  In of MODEL    6
    1    H    PHE  67           H        PHE  67   3.726  -4.645  -3.068
    2    HA   PHE  67           HA       PHE  67   5.867  -2.781  -3.208
    3    HB2  PHE  67           HB2      PHE  67   5.172  -5.033  -1.372
    4    HB3  PHE  67           HB3      PHE  67   6.780  -4.318  -1.287
    5    HD1  PHE  67           HD1      PHE  67   6.074  -1.480  -1.890
    6    HD2  PHE  67           HD2      PHE  67   4.209  -4.339   0.677
    7    HE1  PHE  67           HE1      PHE  67   5.241   0.349  -0.473
    8    HE2  PHE  67           HE2      PHE  67   3.383  -2.509   2.094
    9    HZ   PHE  67           HZ       PHE  67   3.909  -0.172   1.532

  No H/Q in entry =           9
  In of MODEL    6
    1    H    GLN  68           H        GLN  68   5.527  -6.107  -4.178
    2    HA   GLN  68           HA       GLN  68   8.228  -6.797  -4.444
    3    HB2  GLN  68           HB2      GLN  68   5.779  -7.773  -5.901
    4    HB3  GLN  68           HB3      GLN  68   7.381  -8.411  -6.227
    5   HE21  GLN  68          HE21      GLN  68   6.861  -9.580  -1.922
    6   HE22  GLN  68          HE22      GLN  68   8.578  -9.714  -1.795
    7    HG2  GLN  68           HG2      GLN  68   5.869  -8.546  -3.632
    8    HG3  GLN  68           HG3      GLN  68   6.227  -9.878  -4.728

  No H/Q in entry =           8
  In of MODEL    6
    1    H    GLN  69           H        GLN  69   5.895  -5.567  -6.815
    2    HA   GLN  69           HA       GLN  69   7.757  -5.286  -8.929
    3    HB2  GLN  69           HB2      GLN  69   5.065  -3.984  -8.494
    4    HB3  GLN  69           HB3      GLN  69   5.974  -3.910  -9.997
    5   HE21  GLN  69          HE21      GLN  69   2.778  -5.692  -8.682
    6   HE22  GLN  69          HE22      GLN  69   1.879  -5.423 -10.142
    7    HG2  GLN  69           HG2      GLN  69   5.835  -6.346 -10.190
    8    HG3  GLN  69           HG3      GLN  69   4.906  -6.402  -8.692

  No H/Q in entry =           8
  In of MODEL    6
    1    H    SER  70           H        SER  70   6.797  -3.236  -6.279
    2    HA   SER  70           HA       SER  70   7.877  -0.835  -7.394
    3    HB2  SER  70           HB2      SER  70   6.070  -0.924  -5.644
    4    HB3  SER  70           HB3      SER  70   7.305  -1.398  -4.480
    5    HG   SER  70           HG       SER  70   6.665   1.050  -5.326

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLY  71           H        GLY  71   9.300  -3.567  -6.078
    2    HA3  GLY  71           HA2      GLY  71  11.503  -4.092  -5.718
    3    HA2  GLY  71           HA3      GLY  71  11.910  -2.513  -6.370

  No H/Q in entry =           3
  In of MODEL    6
    1    H    THR  72           H        THR  72   9.999  -3.345  -3.506
    2    HA   THR  72           HA       THR  72  11.451  -1.424  -1.944
    3    HB   THR  72           HB       THR  72  10.014  -2.326  -0.055
    4    HG1  THR  72           HG1      THR  72   8.600  -3.652  -2.142
    5   HG21  THR  72          HG21      THR  72   9.403  -0.338  -1.351
    6   HG23  THR  72          HG22      THR  72   7.975  -1.272  -0.907
    7   HG22  THR  72          HG23      THR  72   8.611  -1.361  -2.549

  No H/Q in entry =           7
  In of MODEL    6
    1    H    ALA  73           H        ALA  73  10.806  -4.863  -1.331
    2    HA   ALA  73           HA       ALA  73  12.043  -6.540  -0.442
    3    HB1  ALA  73           HB1      ALA  73  13.127  -6.280  -2.611
    4    HB3  ALA  73           HB2      ALA  73  14.266  -6.822  -1.376
    5    HB2  ALA  73           HB3      ALA  73  14.271  -5.138  -1.905

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ALA  74           H        ALA  74  11.579  -5.063   1.586
    2    HA   ALA  74           HA       ALA  74  14.157  -4.829   2.995
    3    HB1  ALA  74           HB1      ALA  74  13.223  -2.591   2.600
    4    HB3  ALA  74           HB2      ALA  74  13.253  -2.990   4.319
    5    HB2  ALA  74           HB3      ALA  74  11.735  -3.071   3.420

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ASP  75           H        ASP  75  10.678  -4.865   3.688
    2    HA   ASP  75           HA       ASP  75  11.029  -7.309   5.260
    3    HB2  ASP  75           HB2      ASP  75  10.959  -5.441   6.880
    4    HB3  ASP  75           HB3      ASP  75   9.447  -4.882   6.172

  No H/Q in entry =           4
  In of MODEL    6
    1    H    GLU  76           H        GLU  76   9.183  -8.652   5.216
    2    HA   GLU  76           HA       GLU  76   7.806  -8.507   2.746
    3    HB2  GLU  76           HB2      GLU  76   7.387 -10.331   5.121
    4    HB3  GLU  76           HB3      GLU  76   6.698 -10.571   3.519
    5    HG2  GLU  76           HG2      GLU  76   8.918 -10.793   2.573
    6    HG3  GLU  76           HG3      GLU  76   9.638 -10.491   4.152

  No H/Q in entry =           6
  In of MODEL    6
    1    HA   PRO  77           HA       PRO  77   4.395  -5.987   4.051
    2    HB2  PRO  77           HB2      PRO  77   3.074  -7.008   1.630
    3    HB3  PRO  77           HB3      PRO  77   3.538  -5.354   2.038
    4    HD2  PRO  77           HD2      PRO  77   5.522  -8.601   1.368
    5    HD3  PRO  77           HD3      PRO  77   6.928  -7.536   1.584
    6    HG2  PRO  77           HG2      PRO  77   4.830  -6.745   0.144
    7    HG3  PRO  77           HG3      PRO  77   5.681  -5.610   1.208

  No H/Q in entry =           7
  In of MODEL    6
    1    H    SER  78           H        SER  78   4.461  -9.317   3.708
    2    HA   SER  78           HA       SER  78   1.757 -10.025   4.025
    3    HB2  SER  78           HB2      SER  78   4.170 -11.572   5.000
    4    HB3  SER  78           HB3      SER  78   2.599 -12.219   4.518
    5    HG   SER  78           HG       SER  78   3.394 -10.862   2.442

  No H/Q in entry =           5
  In of MODEL    6
    1    H    SER  79           H        SER  79   0.582  -9.204   5.629
    2    HA   SER  79           HA       SER  79   1.843  -8.452   8.127
    3    HB2  SER  79           HB2      SER  79  -1.038  -8.111   7.276
    4    HB3  SER  79           HB3      SER  79  -0.192  -7.242   8.562
    5    HG   SER  79           HG       SER  79   1.074  -7.081   6.134

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LEU  80           H        LEU  80  -0.366 -10.883   6.924
    2    HA   LEU  80           HA       LEU  80  -1.253 -11.793   9.472
    3    HB2  LEU  80           HB2      LEU  80  -1.282 -12.935   6.706
    4    HB3  LEU  80           HB3      LEU  80  -1.652 -13.975   8.067
    5   HD12  LEU  80          HD11      LEU  80  -2.865 -11.048   6.111
    6   HD11  LEU  80          HD12      LEU  80  -2.658 -10.391   7.733
    7   HD13  LEU  80          HD13      LEU  80  -4.273 -10.760   7.132
    8   HD23  LEU  80          HD21      LEU  80  -3.607 -13.466   5.848
    9   HD22  LEU  80          HD22      LEU  80  -4.998 -13.105   6.868
   10   HD21  LEU  80          HD23      LEU  80  -3.911 -14.426   7.293
   11    HG   LEU  80           HG       LEU  80  -3.515 -12.468   8.689

  No H/Q in entry =          11
  In of MODEL    6
    1    H    TRP  81           H        TRP  81   0.668 -13.705   7.206
    2    HA   TRP  81           HA       TRP  81   2.864 -13.952   9.061
    3    HB2  TRP  81           HB2      TRP  81   1.036 -16.261   8.453
    4    HB3  TRP  81           HB3      TRP  81   2.751 -16.554   8.703
    5    HD1  TRP  81           HD1      TRP  81   3.357 -14.723  11.150
    6    HE1  TRP  81           HE1      TRP  81   2.336 -15.226  13.462
    7    HE3  TRP  81           HE3      TRP  81  -0.612 -17.589   9.671
    8    HH2  TRP  81           HH2      TRP  81  -1.744 -18.041  13.764
    9    HZ2  TRP  81           HZ2      TRP  81   0.149 -16.662  14.511
   10    HZ3  TRP  81           HZ3      TRP  81  -2.117 -18.493  11.396

  No H/Q in entry =          10
  In of MODEL    6
    1    H1   SER 101           H3       SER 101   0.008  19.075   5.399
    2    H2   SER 101           H2       SER 101   1.415  19.348   6.301
    3    H3   SER 101           H1       SER 101   0.545  20.659   5.681
    4    HA   SER 101           HA       SER 101   1.070  20.059   3.452
    5    HB2  SER 101           HB2      SER 101   2.681  21.495   4.548
    6    HB3  SER 101           HB3      SER 101   3.467  20.109   5.300
    7    HG   SER 101           HG       SER 101   3.988  21.209   2.940

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLN 102           H        GLN 102   3.212  18.028   5.473
    2    HA   GLN 102           HA       GLN 102   3.724  16.310   3.251
    3    HB2  GLN 102           HB2      GLN 102   4.503  16.012   6.154
    4    HB3  GLN 102           HB3      GLN 102   5.138  15.055   4.823
    5   HE21  GLN 102          HE21      GLN 102   4.893  18.671   3.157
    6   HE22  GLN 102          HE22      GLN 102   5.802  18.223   1.754
    7    HG2  GLN 102           HG2      GLN 102   5.478  18.017   5.227
    8    HG3  GLN 102           HG3      GLN 102   6.713  16.775   5.431

  No H/Q in entry =           8
  In of MODEL    6
    1    H    GLU 103           H        GLU 103   1.417  16.325   5.791
    2    HA   GLU 103           HA       GLU 103   0.759  13.611   5.951
    3    HB2  GLU 103           HB2      GLU 103  -0.165  15.273   7.469
    4    HB3  GLU 103           HB3      GLU 103  -1.025  16.047   6.147
    5    HG2  GLU 103           HG2      GLU 103  -2.333  13.962   5.849
    6    HG3  GLU 103           HG3      GLU 103  -1.535  13.308   7.282

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LYS 104           H        LYS 104   0.051  16.010   3.500
    2    HA   LYS 104           HA       LYS 104  -1.979  14.459   2.199
    3    HB2  LYS 104           HB2      LYS 104  -0.410  16.870   1.297
    4    HB3  LYS 104           HB3      LYS 104  -1.662  16.110   0.325
    5    HD2  LYS 104           HD2      LYS 104  -3.505  18.927   1.734
    6    HD3  LYS 104           HD3      LYS 104  -1.947  18.895   0.905
    7    HE2  LYS 104           HE2      LYS 104  -2.833  17.173  -0.621
    8    HE3  LYS 104           HE3      LYS 104  -4.399  17.299   0.176
    9    HG2  LYS 104           HG2      LYS 104  -3.241  16.520   2.244
   10    HG3  LYS 104           HG3      LYS 104  -1.972  17.517   2.962
   11    HZ3  LYS 104           HZ1      LYS 104  -4.418  18.605  -1.803
   12    HZ2  LYS 104           HZ2      LYS 104  -3.009  19.425  -1.358
   13    HZ1  LYS 104           HZ3      LYS 104  -4.439  19.665  -0.480

  No H/Q in entry =          13
  In of MODEL    6
    1    H    PHE 105           H        PHE 105   1.356  14.146   2.339
    2    HA   PHE 105           HA       PHE 105   1.930  13.447  -0.356
    3    HB2  PHE 105           HB2      PHE 105   3.597  14.099   1.448
    4    HB3  PHE 105           HB3      PHE 105   3.397  12.481   2.104
    5    HD1  PHE 105           HD1      PHE 105   4.274  14.237  -1.055
    6    HD2  PHE 105           HD2      PHE 105   4.819  10.796   1.390
    7    HE1  PHE 105           HE1      PHE 105   6.030  13.437  -2.577
    8    HE2  PHE 105           HE2      PHE 105   6.567   9.987  -0.134
    9    HZ   PHE 105           HZ       PHE 105   7.177  11.308  -2.118

  No H/Q in entry =           9
  In of MODEL    6
    1    H    PHE 106           H        PHE 106   0.608  11.726   2.367
    2    HA   PHE 106           HA       PHE 106   0.808   9.156   1.029
    3    HB2  PHE 106           HB2      PHE 106  -0.375  10.026   3.661
    4    HB3  PHE 106           HB3      PHE 106  -0.606   8.402   3.025
    5    HD1  PHE 106           HD1      PHE 106   1.526  10.558   4.890
    6    HD2  PHE 106           HD2      PHE 106   1.476   7.034   2.507
    7    HE1  PHE 106           HE1      PHE 106   3.664   9.853   5.889
    8    HE2  PHE 106           HE2      PHE 106   3.608   6.321   3.500
    9    HZ   PHE 106           HZ       PHE 106   4.699   7.724   5.203

  No H/Q in entry =           9
  In of MODEL    6
    1    H    GLN 107           H        GLN 107  -1.398  11.768   1.262
    2    HA   GLN 107           HA       GLN 107  -3.702  10.105   0.610
    3    HB2  GLN 107           HB2      GLN 107  -3.509  13.066   1.197
    4    HB3  GLN 107           HB3      GLN 107  -5.006  12.182   0.938
    5   HE21  GLN 107          HE21      GLN 107  -4.081  14.260   2.355
    6   HE22  GLN 107          HE22      GLN 107  -5.024  14.834   3.684
    7    HG2  GLN 107           HG2      GLN 107  -4.610  10.861   2.923
    8    HG3  GLN 107           HG3      GLN 107  -3.049  11.645   3.160

  No H/Q in entry =           8
  In of MODEL    6
    1    H    GLU 108           H        GLU 108  -2.329  13.153  -0.623
    2    HA   GLU 108           HA       GLU 108  -4.035  13.216  -2.870
    3    HB2  GLU 108           HB2      GLU 108  -3.017  15.208  -1.814
    4    HB3  GLU 108           HB3      GLU 108  -1.441  14.702  -2.410
    5    HG2  GLU 108           HG2      GLU 108  -2.045  15.108  -4.646
    6    HG3  GLU 108           HG3      GLU 108  -3.757  15.233  -4.245

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LEU 109           H        LEU 109  -1.026  11.636  -2.316
    2    HA   LEU 109           HA       LEU 109  -0.374  11.425  -5.116
    3    HB2  LEU 109           HB2      LEU 109   0.854  10.352  -2.609
    4    HB3  LEU 109           HB3      LEU 109   1.311   9.696  -4.166
    5   HD11  LEU 109          HD11      LEU 109   0.598  13.253  -3.281
    6   HD13  LEU 109          HD12      LEU 109   2.296  13.719  -3.225
    7   HD12  LEU 109          HD13      LEU 109   1.627  12.679  -1.970
    8   HD22  LEU 109          HD21      LEU 109   3.627  10.400  -4.137
    9   HD21  LEU 109          HD22      LEU 109   3.332  10.838  -2.454
   10   HD23  LEU 109          HD23      LEU 109   4.048  12.012  -3.559
   11    HG   LEU 109           HG       LEU 109   1.977  11.992  -4.882

  No H/Q in entry =          11
  In of MODEL    6
    1    H    PHE 110           H        PHE 110  -2.517   9.798  -3.055
    2    HA   PHE 110           HA       PHE 110  -2.261   7.376  -4.682
    3    HB2  PHE 110           HB2      PHE 110  -2.490   7.424  -2.024
    4    HB3  PHE 110           HB3      PHE 110  -4.206   7.433  -2.437
    5    HD1  PHE 110           HD1      PHE 110  -5.271   5.544  -3.376
    6    HD2  PHE 110           HD2      PHE 110  -1.063   5.533  -2.753
    7    HE1  PHE 110           HE1      PHE 110  -5.233   3.113  -3.727
    8    HE2  PHE 110           HE2      PHE 110  -1.014   3.098  -3.116
    9    HZ   PHE 110           HZ       PHE 110  -3.011   1.924  -3.782

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ASP 111           H        ASP 111  -4.114  10.186  -4.399
    2    HA   ASP 111           HA       ASP 111  -6.512   9.180  -5.577
    3    HB2  ASP 111           HB2      ASP 111  -5.354  11.979  -5.550
    4    HB3  ASP 111           HB3      ASP 111  -6.968  11.570  -6.123

  No H/Q in entry =           4
  In of MODEL    6
    1    H    SER 112           H        SER 112  -4.226  11.455  -7.047
    2    HA   SER 112           HA       SER 112  -3.471   9.660  -9.133
    3    HB2  SER 112           HB2      SER 112  -5.338  11.947  -9.804
    4    HB3  SER 112           HB3      SER 112  -4.304  11.170 -11.002
    5    HG   SER 112           HG       SER 112  -5.877   9.506  -9.408

  No H/Q in entry =           5
  In of MODEL    7
    1    H1   GLY  12           H2       GLY  12 -21.210  -0.853  -7.877
    2    H2   GLY  12           H1       GLY  12 -20.936  -0.287  -9.451
    3    H3   GLY  12           H3       GLY  12 -20.766   0.765  -8.127
    4    HA2  GLY  12           HA2      GLY  12 -22.855   1.121  -9.361
    5    HA3  GLY  12           HA3      GLY  12 -23.102   0.694  -7.673

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ALA  13           H        ALA  13 -25.272   0.162  -8.594
    2    HA   ALA  13           HA       ALA  13 -26.871  -1.359  -9.106
    3    HB2  ALA  13           HB1      ALA  13 -25.860  -1.385 -11.350
    4    HB1  ALA  13           HB2      ALA  13 -26.508  -2.962 -10.900
    5    HB3  ALA  13           HB3      ALA  13 -24.771  -2.674 -10.836

  No H/Q in entry =           5
  In of MODEL    7
    1    H    MET  14           H        MET  14 -26.765  -1.940  -6.892
    2    HA   MET  14           HA       MET  14 -26.667  -3.357  -5.133
    3    HB2  MET  14           HB2      MET  14 -27.666  -5.002  -6.665
    4    HB3  MET  14           HB3      MET  14 -26.063  -5.467  -7.217
    5    HE3  MET  14           HE1      MET  14 -29.922  -5.504  -3.764
    6    HE2  MET  14           HE2      MET  14 -29.401  -6.771  -4.873
    7    HE1  MET  14           HE3      MET  14 -29.271  -5.078  -5.349
    8    HG2  MET  14           HG2      MET  14 -26.893  -7.089  -5.646
    9    HG3  MET  14           HG3      MET  14 -25.519  -6.232  -4.952

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ALA  15           H        ALA  15 -24.842  -2.149  -4.459
    2    HA   ALA  15           HA       ALA  15 -22.173  -2.949  -5.083
    3    HB1  ALA  15           HB1      ALA  15 -21.510  -1.398  -3.318
    4    HB2  ALA  15           HB2      ALA  15 -23.187  -1.270  -2.788
    5    HB3  ALA  15           HB3      ALA  15 -22.717  -0.666  -4.377

  No H/Q in entry =           5
  In of MODEL    7
    1    H    THR  16           H        THR  16 -21.793  -5.045  -4.638
    2    HA   THR  16           HA       THR  16 -22.754  -6.360  -2.295
    3    HB   THR  16           HB       THR  16 -20.637  -7.314  -4.231
    4    HG1  THR  16           HG1      THR  16 -23.482  -7.374  -4.341
    5   HG21  THR  16          HG21      THR  16 -20.806  -8.631  -2.167
    6   HG23  THR  16          HG22      THR  16 -21.392  -9.548  -3.555
    7   HG22  THR  16          HG23      THR  16 -22.539  -8.824  -2.428

  No H/Q in entry =           7
  In of MODEL    7
    1    HA   PRO  17           HA       PRO  17 -19.221  -5.086   0.182
    2    HB2  PRO  17           HB2      PRO  17 -20.651  -6.180   2.446
    3    HB3  PRO  17           HB3      PRO  17 -20.348  -4.487   2.051
    4    HD2  PRO  17           HD2      PRO  17 -22.518  -7.133   0.241
    5    HD3  PRO  17           HD3      PRO  17 -23.045  -5.698  -0.669
    6    HG2  PRO  17           HG2      PRO  17 -22.829  -5.632   1.992
    7    HG3  PRO  17           HG3      PRO  17 -22.364  -4.238   1.003

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLY  18           H        GLY  18 -19.025  -7.478  -1.268
    2    HA3  GLY  18           HA2      GLY  18 -18.559  -9.697   0.496
    3    HA2  GLY  18           HA3      GLY  18 -18.104  -9.598  -1.202

  No H/Q in entry =           3
  In of MODEL    7
    1    H    SER  19           H        SER  19 -16.802  -6.946  -0.469
    2    HA   SER  19           HA       SER  19 -14.234  -8.066   0.287
    3    HB2  SER  19           HB2      SER  19 -13.779  -5.413  -0.143
    4    HB3  SER  19           HB3      SER  19 -13.746  -6.637  -1.411
    5    HG   SER  19           HG       SER  19 -15.900  -4.919  -0.697

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLU  20           H        GLU  20 -13.400  -7.913   2.257
    2    HA   GLU  20           HA       GLU  20 -14.958  -6.838   4.392
    3    HB2  GLU  20           HB2      GLU  20 -13.084  -7.567   5.821
    4    HB3  GLU  20           HB3      GLU  20 -13.586  -8.825   4.710
    5    HG2  GLU  20           HG2      GLU  20 -11.729  -8.490   3.349
    6    HG3  GLU  20           HG3      GLU  20 -11.263  -7.013   4.180

  No H/Q in entry =           6
  In of MODEL    7
    1    H    ASN  21           H        ASN  21 -12.253  -5.752   2.536
    2    HA   ASN  21           HA       ASN  21 -12.385  -3.054   3.174
    3    HB2  ASN  21           HB2      ASN  21 -11.694  -3.692   5.448
    4    HB3  ASN  21           HB3      ASN  21 -10.298  -4.545   4.803
    5   HD21  ASN  21          HD21      ASN  21  -8.520  -3.370   4.107
    6   HD22  ASN  21          HD22      ASN  21  -8.337  -1.682   4.409

  No H/Q in entry =           6
  In of MODEL    7
    1    H    VAL  22           H        VAL  22 -10.306  -5.789   2.486
    2    HA   VAL  22           HA       VAL  22  -8.525  -4.257   0.821
    3    HB   VAL  22           HB       VAL  22  -7.412  -6.413   0.386
    4   HG11  VAL  22          HG11      VAL  22  -8.009  -5.868   3.290
    5   HG13  VAL  22          HG12      VAL  22  -6.742  -5.122   2.317
    6   HG12  VAL  22          HG13      VAL  22  -6.666  -6.845   2.693
    7   HG23  VAL  22          HG21      VAL  22  -8.123  -8.429   1.605
    8   HG22  VAL  22          HG22      VAL  22  -9.321  -7.911   0.417
    9   HG21  VAL  22          HG23      VAL  22  -9.578  -7.583   2.134

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LEU  23           H        LEU  23  -8.997  -3.737  -1.167
    2    HA   LEU  23           HA       LEU  23 -10.998  -5.280  -2.641
    3    HB2  LEU  23           HB2      LEU  23 -11.311  -2.828  -2.385
    4    HB3  LEU  23           HB3      LEU  23  -9.829  -2.570  -3.282
    5   HD13  LEU  23          HD11      LEU  23 -13.243  -4.107  -5.281
    6   HD12  LEU  23          HD12      LEU  23 -13.366  -3.649  -3.582
    7   HD11  LEU  23          HD13      LEU  23 -12.453  -5.086  -4.042
    8   HD21  LEU  23          HD21      LEU  23 -12.413  -1.359  -4.111
    9   HD23  LEU  23          HD22      LEU  23 -12.379  -1.844  -5.806
   10   HD22  LEU  23          HD23      LEU  23 -10.911  -1.251  -5.029
   11    HG   LEU  23           HG       LEU  23 -10.851  -3.672  -5.249

  No H/Q in entry =          11
  In of MODEL    7
    1    HA   PRO  24           HA       PRO  24  -7.435  -6.999  -4.803
    2    HB2  PRO  24           HB2      PRO  24  -9.464  -8.694  -6.072
    3    HB3  PRO  24           HB3      PRO  24  -8.091  -9.159  -5.068
    4    HD2  PRO  24           HD2      PRO  24 -11.316  -7.145  -4.380
    5    HD3  PRO  24           HD3      PRO  24 -10.695  -7.145  -2.715
    6    HG2  PRO  24           HG2      PRO  24 -10.626  -9.359  -4.196
    7    HG3  PRO  24           HG3      PRO  24  -9.287  -8.949  -3.108

  No H/Q in entry =           7
  In of MODEL    7
    1    H    ARG  25           H        ARG  25  -7.074  -5.167  -6.100
    2    HA   ARG  25           HA       ARG  25  -8.193  -5.341  -8.802
    3    HB2  ARG  25           HB2      ARG  25  -8.152  -2.810  -7.141
    4    HB3  ARG  25           HB3      ARG  25  -8.483  -2.861  -8.866
    5    HD2  ARG  25           HD2      ARG  25 -10.632  -3.732  -9.690
    6    HD3  ARG  25           HD3      ARG  25 -10.272  -5.293  -8.954
    7    HE   ARG  25           HE       ARG  25 -12.564  -3.996  -7.812
    8    HG2  ARG  25           HG2      ARG  25 -10.130  -4.239  -6.760
    9    HG3  ARG  25           HG3      ARG  25 -10.508  -2.672  -7.481
   10   HH11  ARG  25          HH11      ARG  25 -11.456  -6.028 -10.432
   11   HH12  ARG  25          HH12      ARG  25 -13.006  -6.781 -10.664
   12   HH21  ARG  25          HH21      ARG  25 -14.600  -4.949  -8.118
   13   HH22  ARG  25          HH22      ARG  25 -14.806  -6.145  -9.372

  No H/Q in entry =          13
  In of MODEL    7
    1    H    GLU  26           H        GLU  26  -6.579  -5.290 -10.242
    2    HA   GLU  26           HA       GLU  26  -3.893  -4.839  -9.451
    3    HB2  GLU  26           HB2      GLU  26  -4.499  -4.695 -12.346
    4    HB3  GLU  26           HB3      GLU  26  -3.256  -5.598 -11.497
    5    HG2  GLU  26           HG2      GLU  26  -4.560  -7.301 -12.242
    6    HG3  GLU  26           HG3      GLU  26  -5.308  -7.011 -10.670

  No H/Q in entry =           6
  In of MODEL    7
    1    HA   PRO  27           HA       PRO  27  -4.483  -0.621 -12.028
    2    HB2  PRO  27           HB2      PRO  27  -6.920   0.460 -11.146
    3    HB3  PRO  27           HB3      PRO  27  -6.565  -0.125 -12.772
    4    HD2  PRO  27           HD2      PRO  27  -7.024  -3.565 -10.964
    5    HD3  PRO  27           HD3      PRO  27  -6.529  -3.095 -12.603
    6    HG2  PRO  27           HG2      PRO  27  -7.949  -1.477 -10.519
    7    HG3  PRO  27           HG3      PRO  27  -8.263  -1.588 -12.260

  No H/Q in entry =           7
  In of MODEL    7
    1    H    LEU  28           H        LEU  28  -5.930  -1.353  -8.873
    2    HA   LEU  28           HA       LEU  28  -5.079   1.122  -7.705
    3    HB2  LEU  28           HB2      LEU  28  -7.058  -0.395  -7.016
    4    HB3  LEU  28           HB3      LEU  28  -5.855  -1.330  -6.153
    5   HD11  LEU  28          HD11      LEU  28  -8.336   0.875  -5.555
    6   HD13  LEU  28          HD12      LEU  28  -7.729   1.244  -3.940
    7   HD12  LEU  28          HD13      LEU  28  -7.895  -0.434  -4.458
    8   HD21  LEU  28          HD21      LEU  28  -5.430  -0.804  -3.912
    9   HD23  LEU  28          HD22      LEU  28  -5.388   0.875  -3.374
   10   HD22  LEU  28          HD23      LEU  28  -4.240   0.309  -4.587
   11    HG   LEU  28           HG       LEU  28  -6.009   1.605  -5.634

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ILE  29           H        ILE  29  -3.788  -2.122  -7.985
    2    HA   ILE  29           HA       ILE  29  -1.611  -1.902  -6.229
    3    HB   ILE  29           HB       ILE  29  -1.681  -3.330  -8.903
    4   HD12  ILE  29          HD11      ILE  29  -2.918  -6.439  -7.197
    5   HD11  ILE  29          HD12      ILE  29  -1.227  -6.090  -7.559
    6   HD13  ILE  29          HD13      ILE  29  -2.470  -5.781  -8.771
    7   HG12  ILE  29          HG12      ILE  29  -2.217  -4.386  -6.117
    8   HG13  ILE  29          HG13      ILE  29  -3.450  -4.071  -7.336
    9   HG21  ILE  29          HG21      ILE  29   0.172  -3.677  -6.548
   10   HG23  ILE  29          HG22      ILE  29   0.596  -2.993  -8.117
   11   HG22  ILE  29          HG23      ILE  29   0.148  -4.694  -7.989

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ALA  30           H        ALA  30  -2.030  -0.897  -9.595
    2    HA   ALA  30           HA       ALA  30   0.551   0.145 -10.005
    3    HB1  ALA  30           HB1      ALA  30  -1.020  -0.285 -11.829
    4    HB3  ALA  30           HB2      ALA  30  -0.433   1.378 -11.864
    5    HB2  ALA  30           HB3      ALA  30  -2.050   1.027 -11.255

  No H/Q in entry =           5
  In of MODEL    7
    1    H    THR  31           H        THR  31  -2.414   1.602  -8.738
    2    HA   THR  31           HA       THR  31  -1.511   4.223  -8.361
    3    HB   THR  31           HB       THR  31  -3.388   2.706  -6.528
    4    HG1  THR  31           HG1      THR  31  -3.656   3.518  -9.161
    5   HG23  THR  31          HG21      THR  31  -2.708   4.893  -5.683
    6   HG22  THR  31          HG22      THR  31  -4.400   4.923  -6.185
    7   HG21  THR  31          HG23      THR  31  -3.159   5.639  -7.214

  No H/Q in entry =           7
  In of MODEL    7
    1    H    ALA  32           H        ALA  32  -1.233   1.340  -6.327
    2    HA   ALA  32           HA       ALA  32   0.023   2.613  -4.135
    3    HB3  ALA  32           HB1      ALA  32   0.187  -0.281  -4.968
    4    HB1  ALA  32           HB2      ALA  32  -1.084   0.425  -3.971
    5    HB2  ALA  32           HB3      ALA  32   0.576   0.375  -3.378

  No H/Q in entry =           5
  In of MODEL    7
    1    H    VAL  33           H        VAL  33   1.302   0.886  -6.961
    2    HA   VAL  33           HA       VAL  33   4.003   0.914  -6.175
    3    HB   VAL  33           HB       VAL  33   2.771   0.780  -8.938
    4   HG13  VAL  33          HG11      VAL  33   4.914   0.000  -9.755
    5   HG12  VAL  33          HG12      VAL  33   5.622   0.184  -8.150
    6   HG11  VAL  33          HG13      VAL  33   5.094   1.606  -9.051
    7   HG21  VAL  33          HG21      VAL  33   3.890  -1.332  -7.097
    8   HG23  VAL  33          HG22      VAL  33   3.327  -1.615  -8.744
    9   HG22  VAL  33          HG23      VAL  33   2.192  -1.084  -7.502

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LYS  34           H        LYS  34   2.177   3.224  -8.211
    2    HA   LYS  34           HA       LYS  34   4.413   4.885  -8.753
    3    HB2  LYS  34           HB2      LYS  34   2.785   6.569  -9.485
    4    HB3  LYS  34           HB3      LYS  34   2.424   4.989 -10.158
    5    HD2  LYS  34           HD2      LYS  34   1.419   6.986  -7.067
    6    HD3  LYS  34           HD3      LYS  34   0.998   7.814  -8.577
    7    HE2  LYS  34           HE2      LYS  34  -1.305   6.659  -8.253
    8    HE3  LYS  34           HE3      LYS  34  -0.774   6.472  -6.579
    9    HG2  LYS  34           HG2      LYS  34   0.336   5.650  -9.563
   10    HG3  LYS  34           HG3      LYS  34   0.822   4.835  -8.077
   11    HZ2  LYS  34           HZ1      LYS  34  -0.986   9.043  -8.053
   12    HZ1  LYS  34           HZ2      LYS  34  -0.454   8.857  -6.456
   13    HZ3  LYS  34           HZ3      LYS  34  -2.054   8.474  -6.862

  No H/Q in entry =          13
  In of MODEL    7
    1    H    PHE  35           H        PHE  35   2.146   4.686  -6.144
    2    HA   PHE  35           HA       PHE  35   2.826   7.077  -4.786
    3    HB2  PHE  35           HB2      PHE  35   0.835   5.688  -4.295
    4    HB3  PHE  35           HB3      PHE  35   1.894   4.429  -3.668
    5    HD1  PHE  35           HD1      PHE  35   0.820   7.920  -3.167
    6    HD2  PHE  35           HD2      PHE  35   2.633   4.478  -1.453
    7    HE1  PHE  35           HE1      PHE  35   0.763   8.986  -0.960
    8    HE2  PHE  35           HE2      PHE  35   2.591   5.524   0.720
    9    HZ   PHE  35           HZ       PHE  35   1.584   7.752   1.020

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LEU  36           H        LEU  36   3.796   3.725  -4.296
    2    HA   LEU  36           HA       LEU  36   5.712   3.966  -2.353
    3    HB2  LEU  36           HB2      LEU  36   5.255   2.049  -4.589
    4    HB3  LEU  36           HB3      LEU  36   6.732   1.913  -3.663
    5   HD13  LEU  36          HD11      LEU  36   3.283   1.486  -1.260
    6   HD12  LEU  36          HD12      LEU  36   3.050   2.323  -2.796
    7   HD11  LEU  36          HD13      LEU  36   4.068   3.040  -1.546
    8   HD22  LEU  36          HD21      LEU  36   5.408  -0.459  -3.550
    9   HD21  LEU  36          HD22      LEU  36   3.879   0.274  -4.039
   10   HD23  LEU  36          HD23      LEU  36   4.016  -0.517  -2.468
   11    HG   LEU  36           HG       LEU  36   5.640   1.171  -1.766

  No H/Q in entry =          11
  In of MODEL    7
    1    H    GLN  37           H        GLN  37   6.321   3.915  -5.867
    2    HA   GLN  37           HA       GLN  37   9.120   4.433  -5.378
    3    HB2  GLN  37           HB2      GLN  37   7.528   3.819  -7.841
    4    HB3  GLN  37           HB3      GLN  37   9.199   4.363  -7.943
    5   HE21  GLN  37          HE21      GLN  37   7.279   0.927  -8.138
    6   HE22  GLN  37          HE22      GLN  37   8.158   0.374  -9.523
    7    HG2  GLN  37           HG2      GLN  37   9.913   2.497  -6.563
    8    HG3  GLN  37           HG3      GLN  37   8.241   1.957  -6.414

  No H/Q in entry =           8
  In of MODEL    7
    1    H    ASN  38           H        ASN  38   7.191   6.544  -4.718
    2    HA   ASN  38           HA       ASN  38   8.234   8.670  -6.430
    3    HB2  ASN  38           HB2      ASN  38   5.869   8.724  -5.458
    4    HB3  ASN  38           HB3      ASN  38   6.621   9.021  -3.892
    5   HD21  ASN  38          HD21      ASN  38   5.766  11.056  -3.652
    6   HD22  ASN  38          HD22      ASN  38   6.249  12.404  -4.621

  No H/Q in entry =           6
  In of MODEL    7
    1    H    SER  39           H        SER  39   9.853   6.845  -4.808
    2    HA   SER  39           HA       SER  39  11.864   6.920  -3.790
    3    HB2  SER  39           HB2      SER  39  12.255   9.026  -5.019
    4    HB3  SER  39           HB3      SER  39  11.493   9.923  -3.707
    5    HG   SER  39           HG       SER  39  13.994   9.378  -3.899

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ARG  40           H        ARG  40   9.889   9.452  -2.255
    2    HA   ARG  40           HA       ARG  40  11.025   9.060   0.295
    3    HB2  ARG  40           HB2      ARG  40   8.413  10.401  -0.405
    4    HB3  ARG  40           HB3      ARG  40   9.332  10.623   1.079
    5    HD2  ARG  40           HD2      ARG  40   8.421  12.747  -0.768
    6    HD3  ARG  40           HD3      ARG  40   9.536  13.231   0.512
    7    HE   ARG  40           HE       ARG  40  10.999  13.770  -1.637
    8    HG2  ARG  40           HG2      ARG  40  11.147  11.638  -0.152
    9    HG3  ARG  40           HG3      ARG  40  10.319  11.325  -1.678
   10   HH11  ARG  40          HH11      ARG  40   7.685  14.582  -0.840
   11   HH12  ARG  40          HH12      ARG  40   7.609  15.909  -1.965
   12   HH21  ARG  40          HH21      ARG  40  10.920  15.526  -3.072
   13   HH22  ARG  40          HH22      ARG  40   9.461  16.458  -3.223

  No H/Q in entry =          13
  In of MODEL    7
    1    H    VAL  41           H        VAL  41   8.406   7.455  -1.314
    2    HA   VAL  41           HA       VAL  41   7.182   6.533   1.127
    3    HB   VAL  41           HB       VAL  41   6.692   5.562  -1.700
    4   HG12  VAL  41          HG11      VAL  41   4.589   4.693  -0.746
    5   HG11  VAL  41          HG12      VAL  41   5.127   5.186   0.860
    6   HG13  VAL  41          HG13      VAL  41   6.009   3.938  -0.020
    7   HG23  VAL  41          HG21      VAL  41   5.163   7.551  -0.013
    8   HG22  VAL  41          HG22      VAL  41   4.733   7.007  -1.636
    9   HG21  VAL  41          HG23      VAL  41   6.200   7.955  -1.381

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ARG  42           H        ARG  42   9.391   5.174  -1.303
    2    HA   ARG  42           HA       ARG  42   9.420   2.576  -0.165
    3    HB2  ARG  42           HB2      ARG  42  11.626   3.946  -1.730
    4    HB3  ARG  42           HB3      ARG  42  11.514   2.222  -1.402
    5    HD2  ARG  42           HD2      ARG  42  10.979   1.123  -3.598
    6    HD3  ARG  42           HD3      ARG  42  10.407   2.230  -4.844
    7    HE   ARG  42           HE       ARG  42  12.433   3.636  -3.878
    8    HG2  ARG  42           HG2      ARG  42   9.238   2.383  -2.613
    9    HG3  ARG  42           HG3      ARG  42   9.877   3.902  -3.248
   10   HH11  ARG  42          HH11      ARG  42  12.253   0.223  -4.711
   11   HH12  ARG  42          HH12      ARG  42  13.961   0.074  -4.987
   12   HH21  ARG  42          HH21      ARG  42  14.679   3.431  -4.247
   13   HH22  ARG  42          HH22      ARG  42  15.351   1.892  -4.700

  No H/Q in entry =          13
  In of MODEL    7
    1    H    GLN  43           H        GLN  43  10.887   5.573   0.697
    2    HA   GLN  43           HA       GLN  43  12.523   4.293   2.760
    3    HB2  GLN  43           HB2      GLN  43  12.367   7.160   1.823
    4    HB3  GLN  43           HB3      GLN  43  13.355   6.624   3.174
    5   HE21  GLN  43          HE21      GLN  43  16.093   6.461   2.664
    6   HE22  GLN  43          HE22      GLN  43  16.700   7.889   1.897
    7    HG2  GLN  43           HG2      GLN  43  14.579   5.129   1.647
    8    HG3  GLN  43           HG3      GLN  43  13.629   5.766   0.304

  No H/Q in entry =           8
  In of MODEL    7
    1    H    SER  44           H        SER  44   9.436   4.937   2.524
    2    HA   SER  44           HA       SER  44   9.058   6.284   5.082
    3    HB2  SER  44           HB2      SER  44   7.577   6.835   3.145
    4    HB3  SER  44           HB3      SER  44   6.989   5.174   3.148
    5    HG   SER  44           HG       SER  44   6.370   7.290   4.814

  No H/Q in entry =           5
  In of MODEL    7
    1    HA   PRO  45           HA       PRO  45   9.034   2.691   7.606
    2    HB2  PRO  45           HB2      PRO  45   6.735   3.307   9.093
    3    HB3  PRO  45           HB3      PRO  45   8.391   3.780   9.483
    4    HD2  PRO  45           HD2      PRO  45   7.729   6.384   6.651
    5    HD3  PRO  45           HD3      PRO  45   9.149   5.929   7.619
    6    HG2  PRO  45           HG2      PRO  45   6.248   5.335   8.110
    7    HG3  PRO  45           HG3      PRO  45   7.486   5.890   9.254

  No H/Q in entry =           7
  In of MODEL    7
    1    H    LEU  46           H        LEU  46   8.375   0.712   7.191
    2    HA   LEU  46           HA       LEU  46   6.325   0.126   5.355
    3    HB2  LEU  46           HB2      LEU  46   7.814  -1.632   7.299
    4    HB3  LEU  46           HB3      LEU  46   6.606  -2.262   6.196
    5   HD12  LEU  46          HD11      LEU  46  10.084  -1.139   6.488
    6   HD11  LEU  46          HD12      LEU  46   9.373   0.223   5.622
    7   HD13  LEU  46          HD13      LEU  46  10.375  -0.945   4.760
    8   HD22  LEU  46          HD21      LEU  46   9.519  -3.223   4.304
    9   HD21  LEU  46          HD22      LEU  46   7.913  -3.696   4.857
   10   HD23  LEU  46          HD23      LEU  46   9.219  -3.482   6.023
   11    HG   LEU  46           HG       LEU  46   8.015  -1.318   4.308

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ALA  47           H        ALA  47   6.362   0.322   8.836
    2    HA   ALA  47           HA       ALA  47   4.012  -0.922   9.547
    3    HB3  ALA  47           HB1      ALA  47   5.049   1.700  10.622
    4    HB1  ALA  47           HB2      ALA  47   5.558   0.096  11.149
    5    HB2  ALA  47           HB3      ALA  47   3.900   0.628  11.426

  No H/Q in entry =           5
  In of MODEL    7
    1    H    THR  48           H        THR  48   4.414   2.398   8.338
    2    HA   THR  48           HA       THR  48   1.625   2.962   8.283
    3    HB   THR  48           HB       THR  48   3.900   4.268   6.782
    4    HG1  THR  48           HG1      THR  48   3.074   4.384   9.355
    5   HG21  THR  48          HG21      THR  48   1.047   5.201   7.171
    6   HG23  THR  48          HG22      THR  48   1.775   4.694   5.646
    7   HG22  THR  48          HG23      THR  48   2.343   6.156   6.455

  No H/Q in entry =           7
  In of MODEL    7
    1    H    ARG  49           H        ARG  49   3.989   2.072   5.787
    2    HA   ARG  49           HA       ARG  49   2.328   2.387   3.584
    3    HB2  ARG  49           HB2      ARG  49   4.536   0.342   3.786
    4    HB3  ARG  49           HB3      ARG  49   3.904   1.084   2.325
    5    HD2  ARG  49           HD2      ARG  49   5.870   2.330   1.465
    6    HD3  ARG  49           HD3      ARG  49   7.063   2.843   2.652
    7    HE   ARG  49           HE       ARG  49   6.196   0.039   2.554
    8    HG2  ARG  49           HG2      ARG  49   4.694   3.294   3.294
    9    HG3  ARG  49           HG3      ARG  49   5.595   2.324   4.461
   10   HH11  ARG  49          HH11      ARG  49   8.696   2.459   2.412
   11   HH12  ARG  49          HH12      ARG  49   9.987   1.317   2.201
   12   HH21  ARG  49          HH21      ARG  49   7.895  -1.498   2.252
   13   HH22  ARG  49          HH22      ARG  49   9.527  -0.936   2.120

  No H/Q in entry =          13
  In of MODEL    7
    1    H    ARG  50           H        ARG  50   2.855  -0.535   5.543
    2    HA   ARG  50           HA       ARG  50   1.447  -2.260   3.807
    3    HB2  ARG  50           HB2      ARG  50   1.912  -2.544   6.781
    4    HB3  ARG  50           HB3      ARG  50   1.382  -3.829   5.701
    5    HD2  ARG  50           HD2      ARG  50   3.388  -5.324   5.964
    6    HD3  ARG  50           HD3      ARG  50   4.971  -4.554   6.073
    7    HE   ARG  50           HE       ARG  50   3.212  -3.448   8.003
    8    HG2  ARG  50           HG2      ARG  50   3.495  -3.497   4.409
    9    HG3  ARG  50           HG3      ARG  50   4.019  -2.391   5.679
   10   HH11  ARG  50          HH11      ARG  50   5.112  -6.319   7.337
   11   HH12  ARG  50          HH12      ARG  50   5.223  -6.786   9.003
   12   HH21  ARG  50          HH21      ARG  50   3.390  -4.036  10.197
   13   HH22  ARG  50          HH22      ARG  50   4.239  -5.492  10.633

  No H/Q in entry =          13
  In of MODEL    7
    1    H    ALA  51           H        ALA  51   0.381  -0.752   6.874
    2    HA   ALA  51           HA       ALA  51  -2.294  -1.588   6.694
    3    HB3  ALA  51           HB1      ALA  51  -2.777   0.191   8.305
    4    HB2  ALA  51           HB2      ALA  51  -1.183   0.886   8.016
    5    HB1  ALA  51           HB3      ALA  51  -1.329  -0.708   8.756

  No H/Q in entry =           5
  In of MODEL    7
    1    H    PHE  52           H        PHE  52  -0.676   1.331   5.595
    2    HA   PHE  52           HA       PHE  52  -2.725   2.866   4.607
    3    HB2  PHE  52           HB2      PHE  52  -0.490   3.680   4.671
    4    HB3  PHE  52           HB3      PHE  52   0.073   2.422   3.582
    5    HD1  PHE  52           HD1      PHE  52   0.241   2.844   1.327
    6    HD2  PHE  52           HD2      PHE  52  -2.230   5.302   3.756
    7    HE1  PHE  52           HE1      PHE  52  -0.149   4.335  -0.579
    8    HE2  PHE  52           HE2      PHE  52  -2.629   6.790   1.854
    9    HZ   PHE  52           HZ       PHE  52  -1.448   6.310  -0.327

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LEU  53           H        LEU  53  -0.876   0.460   2.710
    2    HA   LEU  53           HA       LEU  53  -2.361   0.750   0.365
    3    HB2  LEU  53           HB2      LEU  53  -0.514  -1.305   1.431
    4    HB3  LEU  53           HB3      LEU  53  -1.560  -1.798   0.115
    5   HD12  LEU  53          HD11      LEU  53   1.358   0.280   1.005
    6   HD11  LEU  53          HD12      LEU  53   0.136   1.503   0.649
    7   HD13  LEU  53          HD13      LEU  53   1.414   1.165  -0.520
    8   HD23  LEU  53          HD21      LEU  53   1.455  -0.937  -1.744
    9   HD22  LEU  53          HD22      LEU  53   0.135  -2.096  -1.595
   10   HD21  LEU  53          HD23      LEU  53   1.307  -1.921  -0.289
   11    HG   LEU  53           HG       LEU  53  -0.676   0.148  -1.210

  No H/Q in entry =          11
  In of MODEL    7
    1    H    LYS  54           H        LYS  54  -2.833  -1.518   3.064
    2    HA   LYS  54           HA       LYS  54  -4.986  -2.927   1.917
    3    HB2  LYS  54           HB2      LYS  54  -4.083  -2.495   4.738
    4    HB3  LYS  54           HB3      LYS  54  -5.649  -3.228   4.446
    5    HD2  LYS  54           HD2      LYS  54  -2.342  -3.902   2.623
    6    HD3  LYS  54           HD3      LYS  54  -2.084  -3.604   4.342
    7    HE2  LYS  54           HE2      LYS  54  -2.200  -6.308   3.013
    8    HE3  LYS  54           HE3      LYS  54  -0.730  -5.476   3.535
    9    HG2  LYS  54           HG2      LYS  54  -4.142  -4.984   4.771
   10    HG3  LYS  54           HG3      LYS  54  -4.446  -4.933   3.033
   11    HZ1  LYS  54           HZ1      LYS  54  -1.620  -5.547   5.828
   12    HZ3  LYS  54           HZ2      LYS  54  -1.360  -7.088   5.172
   13    HZ2  LYS  54           HZ3      LYS  54  -2.934  -6.468   5.272

  No H/Q in entry =          13
  In of MODEL    7
    1    H    LYS  55           H        LYS  55  -4.918  -0.039   3.958
    2    HA   LYS  55           HA       LYS  55  -7.752   0.066   4.249
    3    HB2  LYS  55           HB2      LYS  55  -5.650   2.172   4.777
    4    HB3  LYS  55           HB3      LYS  55  -7.337   2.271   5.275
    5    HD2  LYS  55           HD2      LYS  55  -7.606  -0.715   6.078
    6    HD3  LYS  55           HD3      LYS  55  -7.065  -0.511   7.743
    7    HE2  LYS  55           HE2      LYS  55  -8.879   1.371   6.235
    8    HE3  LYS  55           HE3      LYS  55  -9.397   0.194   7.440
    9    HG2  LYS  55           HG2      LYS  55  -5.347   0.196   6.174
   10    HG3  LYS  55           HG3      LYS  55  -5.930   1.565   7.127
   11    HZ3  LYS  55           HZ1      LYS  55  -9.244   2.285   8.496
   12    HZ2  LYS  55           HZ2      LYS  55  -7.699   2.589   7.873
   13    HZ1  LYS  55           HZ3      LYS  55  -7.919   1.376   9.039

  No H/Q in entry =          13
  In of MODEL    7
    1    H    LYS  56           H        LYS  56  -5.531   1.293   1.889
    2    HA   LYS  56           HA       LYS  56  -7.318   3.257   0.817
    3    HB2  LYS  56           HB2      LYS  56  -4.873   1.911  -0.330
    4    HB3  LYS  56           HB3      LYS  56  -5.757   3.187  -1.154
    5    HD2  LYS  56           HD2      LYS  56  -4.596   5.958   0.713
    6    HD3  LYS  56           HD3      LYS  56  -5.892   5.344  -0.305
    7    HE2  LYS  56           HE2      LYS  56  -7.054   4.510   1.689
    8    HE3  LYS  56           HE3      LYS  56  -5.763   5.158   2.702
    9    HG2  LYS  56           HG2      LYS  56  -4.473   3.489   1.550
   10    HG3  LYS  56           HG3      LYS  56  -3.711   3.946   0.028
   11    HZ1  LYS  56           HZ1      LYS  56  -6.308   7.383   1.744
   12    HZ3  LYS  56           HZ2      LYS  56  -7.538   6.719   2.705
   13    HZ2  LYS  56           HZ3      LYS  56  -7.669   6.685   1.012

  No H/Q in entry =          13
  In of MODEL    7
    1    H    GLY  57           H        GLY  57  -7.013  -0.134   0.593
    2    HA3  GLY  57           HA2      GLY  57  -9.071  -1.247  -0.172
    3    HA2  GLY  57           HA3      GLY  57  -9.047  -0.148  -1.544

  No H/Q in entry =           3
  In of MODEL    7
    1    H    LEU  58           H        LEU  58  -6.575  -2.213  -0.016
    2    HA   LEU  58           HA       LEU  58  -6.331  -3.696  -2.525
    3    HB2  LEU  58           HB2      LEU  58  -4.712  -1.760  -2.495
    4    HB3  LEU  58           HB3      LEU  58  -3.941  -2.519  -1.114
    5   HD11  LEU  58          HD11      LEU  58  -4.437  -2.648  -4.729
    6   HD13  LEU  58          HD12      LEU  58  -5.241  -4.138  -4.232
    7   HD12  LEU  58          HD13      LEU  58  -3.650  -4.205  -4.991
    8   HD23  LEU  58          HD21      LEU  58  -2.299  -1.945  -3.473
    9   HD22  LEU  58          HD22      LEU  58  -1.636  -3.563  -3.723
   10   HD21  LEU  58          HD23      LEU  58  -1.781  -2.910  -2.090
   11    HG   LEU  58           HG       LEU  58  -3.541  -4.541  -2.558

  No H/Q in entry =          11
  In of MODEL    7
    1    H    THR  59           H        THR  59  -5.667  -5.813  -2.260
    2    HA   THR  59           HA       THR  59  -5.980  -6.880   0.393
    3    HB   THR  59           HB       THR  59  -4.932  -8.532  -1.856
    4    HG1  THR  59           HG1      THR  59  -6.549  -7.392  -2.911
    5   HG22  THR  59          HG21      THR  59  -6.483 -10.194  -0.920
    6   HG21  THR  59          HG22      THR  59  -7.013  -9.010   0.275
    7   HG23  THR  59          HG23      THR  59  -5.350  -9.593   0.292

  No H/Q in entry =           7
  In of MODEL    7
    1    H    ASP  60           H        ASP  60  -4.399  -8.305   1.432
    2    HA   ASP  60           HA       ASP  60  -1.913  -7.037   1.669
    3    HB2  ASP  60           HB2      ASP  60  -1.257  -8.966   3.064
    4    HB3  ASP  60           HB3      ASP  60  -2.776  -8.238   3.547

  No H/Q in entry =           4
  In of MODEL    7
    1    H    GLU  61           H        GLU  61  -2.764 -10.090   0.052
    2    HA   GLU  61           HA       GLU  61  -0.265 -10.864  -0.833
    3    HB2  GLU  61           HB2      GLU  61  -1.452 -11.927  -2.749
    4    HB3  GLU  61           HB3      GLU  61  -2.195 -12.264  -1.192
    5    HG2  GLU  61           HG2      GLU  61  -3.971 -10.756  -1.612
    6    HG3  GLU  61           HG3      GLU  61  -3.158 -10.082  -3.023

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLU  62           H        GLU  62  -2.357  -8.369  -2.076
    2    HA   GLU  62           HA       GLU  62  -0.891  -8.040  -4.518
    3    HB2  GLU  62           HB2      GLU  62  -3.062  -6.317  -3.318
    4    HB3  GLU  62           HB3      GLU  62  -2.490  -6.263  -4.982
    5    HG2  GLU  62           HG2      GLU  62  -3.286  -8.522  -5.361
    6    HG3  GLU  62           HG3      GLU  62  -3.797  -8.642  -3.680

  No H/Q in entry =           6
  In of MODEL    7
    1    H    ILE  63           H        ILE  63  -0.877  -6.597  -1.326
    2    HA   ILE  63           HA       ILE  63   0.591  -4.290  -2.133
    3    HB   ILE  63           HB       ILE  63   0.893  -3.695   0.086
    4   HD11  ILE  63          HD11      ILE  63   0.159  -4.613   2.720
    5   HD13  ILE  63          HD12      ILE  63   1.818  -4.173   2.314
    6   HD12  ILE  63          HD13      ILE  63   1.479  -5.729   3.071
    7   HG12  ILE  63          HG12      ILE  63   0.270  -6.452   1.111
    8   HG13  ILE  63          HG13      ILE  63   1.913  -5.974   0.690
    9   HG22  ILE  63          HG21      ILE  63  -1.613  -5.355   0.058
   10   HG21  ILE  63          HG22      ILE  63  -1.449  -3.701  -0.531
   11   HG23  ILE  63          HG23      ILE  63  -1.252  -4.050   1.187

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ASP  64           H        ASP  64   1.507  -7.560  -1.090
    2    HA   ASP  64           HA       ASP  64   4.291  -6.970  -0.981
    3    HB2  ASP  64           HB2      ASP  64   3.528  -9.676  -1.921
    4    HB3  ASP  64           HB3      ASP  64   4.748  -9.194  -0.761

  No H/Q in entry =           4
  In of MODEL    7
    1    H    MET  65           H        MET  65   2.038  -7.817  -3.523
    2    HA   MET  65           HA       MET  65   3.988  -8.263  -5.526
    3    HB2  MET  65           HB2      MET  65   1.662  -8.981  -5.798
    4    HB3  MET  65           HB3      MET  65   1.135  -7.303  -5.818
    5    HE1  MET  65           HE1      MET  65   2.236 -10.835  -7.903
    6    HE3  MET  65           HE2      MET  65   3.102 -10.456  -6.413
    7    HE2  MET  65           HE3      MET  65   3.956 -11.200  -7.766
    8    HG2  MET  65           HG2      MET  65   1.256  -8.337  -8.062
    9    HG3  MET  65           HG3      MET  65   2.265  -6.902  -7.889

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ALA  66           H        ALA  66   2.230  -5.374  -4.501
    2    HA   ALA  66           HA       ALA  66   3.320  -3.589  -6.384
    3    HB1  ALA  66           HB1      ALA  66   2.355  -3.025  -3.577
    4    HB3  ALA  66           HB2      ALA  66   1.355  -3.044  -5.029
    5    HB2  ALA  66           HB3      ALA  66   2.612  -1.823  -4.842

  No H/Q in entry =           5
  In of MODEL    7
    1    H    PHE  67           H        PHE  67   4.299  -4.400  -3.068
    2    HA   PHE  67           HA       PHE  67   6.637  -2.811  -3.055
    3    HB2  PHE  67           HB2      PHE  67   5.685  -5.128  -1.390
    4    HB3  PHE  67           HB3      PHE  67   7.304  -4.472  -1.169
    5    HD1  PHE  67           HD1      PHE  67   6.683  -1.601  -1.692
    6    HD2  PHE  67           HD2      PHE  67   4.671  -4.516   0.678
    7    HE1  PHE  67           HE1      PHE  67   5.814   0.181  -0.257
    8    HE2  PHE  67           HE2      PHE  67   3.812  -2.731   2.130
    9    HZ   PHE  67           HZ       PHE  67   4.395  -0.385   1.673

  No H/Q in entry =           9
  In of MODEL    7
    1    H    GLN  68           H        GLN  68   5.957  -6.033  -4.178
    2    HA   GLN  68           HA       GLN  68   8.581  -6.989  -4.371
    3    HB2  GLN  68           HB2      GLN  68   6.503  -8.379  -4.502
    4    HB3  GLN  68           HB3      GLN  68   6.233  -7.748  -6.117
    5   HE21  GLN  68          HE21      GLN  68   6.251  -8.207  -7.685
    6   HE22  GLN  68          HE22      GLN  68   7.180  -8.381  -9.137
    7    HG2  GLN  68           HG2      GLN  68   8.812  -9.102  -5.486
    8    HG3  GLN  68           HG3      GLN  68   7.364 -10.068  -5.755

  No H/Q in entry =           8
  In of MODEL    7
    1    H    GLN  69           H        GLN  69   6.427  -5.468  -6.733
    2    HA   GLN  69           HA       GLN  69   8.265  -5.427  -8.884
    3    HB2  GLN  69           HB2      GLN  69   5.759  -3.833  -8.334
    4    HB3  GLN  69           HB3      GLN  69   6.661  -3.724  -9.841
    5   HE21  GLN  69          HE21      GLN  69   5.313  -5.048 -11.977
    6   HE22  GLN  69          HE22      GLN  69   6.407  -6.165 -12.724
    7    HG2  GLN  69           HG2      GLN  69   5.541  -6.301  -8.769
    8    HG3  GLN  69           HG3      GLN  69   4.660  -5.238  -9.865

  No H/Q in entry =           8
  In of MODEL    7
    1    H    SER  70           H        SER  70   7.633  -3.267  -6.228
    2    HA   SER  70           HA       SER  70   9.154  -1.097  -7.380
    3    HB2  SER  70           HB2      SER  70   8.048  -1.426  -4.581
    4    HB3  SER  70           HB3      SER  70   8.675   0.068  -5.279
    5    HG   SER  70           HG       SER  70   6.333  -1.366  -5.964

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLY  71           H        GLY  71  10.175  -3.931  -6.337
    2    HA3  GLY  71           HA2      GLY  71  12.177  -4.749  -5.577
    3    HA2  GLY  71           HA3      GLY  71  12.840  -3.158  -5.919

  No H/Q in entry =           3
  In of MODEL    7
    1    H    THR  72           H        THR  72  10.287  -3.970  -3.641
    2    HA   THR  72           HA       THR  72  12.049  -3.111  -1.452
    3    HB   THR  72           HB       THR  72   9.997  -1.932  -0.487
    4    HG1  THR  72           HG1      THR  72   8.970  -2.866  -2.810
    5   HG22  THR  72          HG21      THR  72  10.417   0.102  -1.799
    6   HG21  THR  72          HG22      THR  72  11.249  -0.866  -3.017
    7   HG23  THR  72          HG23      THR  72  11.920  -0.729  -1.391

  No H/Q in entry =           7
  In of MODEL    7
    1    H    ALA  73           H        ALA  73  11.465  -5.764  -2.079
    2    HA   ALA  73           HA       ALA  73   9.322  -6.671  -0.366
    3    HB1  ALA  73           HB1      ALA  73   9.826  -7.865  -2.444
    4    HB2  ALA  73           HB2      ALA  73  10.016  -8.915  -1.039
    5    HB3  ALA  73           HB3      ALA  73  11.439  -8.241  -1.835

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ALA  74           H        ALA  74  10.812  -5.212   1.229
    2    HA   ALA  74           HA       ALA  74  12.810  -6.791   2.594
    3    HB1  ALA  74           HB1      ALA  74  11.603  -4.119   3.317
    4    HB2  ALA  74           HB2      ALA  74  13.093  -4.363   2.405
    5    HB3  ALA  74           HB3      ALA  74  12.999  -4.870   4.092

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ASP  75           H        ASP  75  12.257  -8.316   3.957
    2    HA   ASP  75           HA       ASP  75  11.111  -9.599   5.444
    3    HB2  ASP  75           HB2      ASP  75  11.207  -7.390   6.770
    4    HB3  ASP  75           HB3      ASP  75   9.550  -7.129   6.243

  No H/Q in entry =           4
  In of MODEL    7
    1    H    GLU  76           H        GLU  76   8.330  -9.383   6.203
    2    HA   GLU  76           HA       GLU  76   7.102  -9.857   3.568
    3    HB2  GLU  76           HB2      GLU  76   6.254 -10.985   6.246
    4    HB3  GLU  76           HB3      GLU  76   5.563 -11.383   4.680
    5    HG2  GLU  76           HG2      GLU  76   8.320 -12.045   5.682
    6    HG3  GLU  76           HG3      GLU  76   6.995 -13.163   5.359

  No H/Q in entry =           6
  In of MODEL    7
    1    HA   PRO  77           HA       PRO  77   4.666  -6.249   4.735
    2    HB2  PRO  77           HB2      PRO  77   3.363  -6.755   2.147
    3    HB3  PRO  77           HB3      PRO  77   4.236  -5.322   2.699
    4    HD2  PRO  77           HD2      PRO  77   5.280  -8.982   2.004
    5    HD3  PRO  77           HD3      PRO  77   6.900  -8.368   2.406
    6    HG2  PRO  77           HG2      PRO  77   5.261  -6.963   0.836
    7    HG3  PRO  77           HG3      PRO  77   6.289  -6.156   2.036

  No H/Q in entry =           7
  In of MODEL    7
    1    H    SER  78           H        SER  78   3.830  -9.449   4.196
    2    HA   SER  78           HA       SER  78   1.028  -9.000   4.965
    3    HB2  SER  78           HB2      SER  78   1.002 -11.517   4.024
    4    HB3  SER  78           HB3      SER  78   0.801 -10.108   2.978
    5    HG   SER  78           HG       SER  78   2.782 -10.344   2.207

  No H/Q in entry =           5
  In of MODEL    7
    1    H    SER  79           H        SER  79   3.097  -9.020   6.917
    2    HA   SER  79           HA       SER  79   3.497 -11.519   8.135
    3    HB2  SER  79           HB2      SER  79   3.405  -8.826   9.508
    4    HB3  SER  79           HB3      SER  79   4.213 -10.279  10.094
    5    HG   SER  79           HG       SER  79   5.690 -10.120   8.441

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LEU  80           H        LEU  80   0.711  -9.557   7.997
    2    HA   LEU  80           HA       LEU  80  -1.358  -9.658   8.920
    3    HB2  LEU  80           HB2      LEU  80  -0.368 -12.326   9.938
    4    HB3  LEU  80           HB3      LEU  80  -2.006 -11.745  10.167
    5   HD12  LEU  80          HD11      LEU  80  -2.158 -14.195   7.363
    6   HD11  LEU  80          HD12      LEU  80  -2.669 -13.908   9.027
    7   HD13  LEU  80          HD13      LEU  80  -0.986 -14.306   8.677
    8   HD21  LEU  80          HD21      LEU  80  -3.583 -11.662   8.285
    9   HD23  LEU  80          HD22      LEU  80  -3.029 -12.015   6.649
   10   HD22  LEU  80          HD23      LEU  80  -2.509 -10.535   7.455
   11    HG   LEU  80           HG       LEU  80  -0.731 -12.208   7.468

  No H/Q in entry =          11
  In of MODEL    7
    1    H    TRP  81           H        TRP  81   0.854  -8.389  10.251
    2    HA   TRP  81           HA       TRP  81  -0.242  -8.223  12.936
    3    HB2  TRP  81           HB2      TRP  81   1.665  -9.942  12.871
    4    HB3  TRP  81           HB3      TRP  81   2.735  -8.583  12.547
    5    HD1  TRP  81           HD1      TRP  81   2.296  -6.499  14.590
    6    HE1  TRP  81           HE1      TRP  81   2.366  -6.915  17.129
    7    HE3  TRP  81           HE3      TRP  81   1.429 -11.539  14.614
    8    HH2  TRP  81           HH2      TRP  81   1.671 -11.514  18.873
    9    HZ2  TRP  81           HZ2      TRP  81   2.092  -9.093  18.906
   10    HZ3  TRP  81           HZ3      TRP  81   1.345 -12.712  16.773

  No H/Q in entry =          10
  In of MODEL    7
    1    H1   SER 101           H1       SER 101   2.434  17.212   9.350
    2    H2   SER 101           H3       SER 101   2.304  18.264   8.024
    3    H3   SER 101           H2       SER 101   1.357  18.521   9.408
    4    HA   SER 101           HA       SER 101   0.138  16.522   9.034
    5    HB2  SER 101           HB2      SER 101   0.357  18.192   6.515
    6    HB3  SER 101           HB3      SER 101  -1.009  17.168   6.961
    7    HG   SER 101           HG       SER 101  -1.318  19.406   7.472

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLN 102           H        GLN 102   0.378  14.458   8.539
    2    HA   GLN 102           HA       GLN 102   2.465  13.690   6.635
    3    HB2  GLN 102           HB2      GLN 102   0.938  12.034   8.653
    4    HB3  GLN 102           HB3      GLN 102   2.258  11.454   7.649
    5   HE21  GLN 102          HE21      GLN 102   1.141  11.110  10.108
    6   HE22  GLN 102          HE22      GLN 102   2.073  10.246  11.279
    7    HG2  GLN 102           HG2      GLN 102   3.812  12.915   8.754
    8    HG3  GLN 102           HG3      GLN 102   2.510  13.651   9.685

  No H/Q in entry =           8
  In of MODEL    7
    1    H    GLU 103           H        GLU 103  -0.974  13.377   7.254
    2    HA   GLU 103           HA       GLU 103  -1.465  11.169   5.603
    3    HB2  GLU 103           HB2      GLU 103  -3.294  13.338   6.599
    4    HB3  GLU 103           HB3      GLU 103  -3.858  11.925   5.718
    5    HG2  GLU 103           HG2      GLU 103  -3.060  10.461   7.440
    6    HG3  GLU 103           HG3      GLU 103  -2.308  11.811   8.291

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LYS 104           H        LYS 104  -1.266  14.586   4.772
    2    HA   LYS 104           HA       LYS 104  -2.677  14.431   2.351
    3    HB2  LYS 104           HB2      LYS 104  -2.029  16.588   3.366
    4    HB3  LYS 104           HB3      LYS 104  -0.348  16.266   2.948
    5    HD2  LYS 104           HD2      LYS 104  -2.122  18.660   1.959
    6    HD3  LYS 104           HD3      LYS 104  -0.411  18.458   1.563
    7    HE2  LYS 104           HE2      LYS 104  -0.955  18.344  -0.806
    8    HE3  LYS 104           HE3      LYS 104  -2.672  18.478  -0.438
    9    HG2  LYS 104           HG2      LYS 104  -0.891  16.272   0.593
   10    HG3  LYS 104           HG3      LYS 104  -2.603  16.472   0.959
   11    HZ1  LYS 104           HZ1      LYS 104  -2.237  20.684   0.489
   12    HZ3  LYS 104           HZ2      LYS 104  -1.803  20.587  -1.146
   13    HZ2  LYS 104           HZ3      LYS 104  -0.601  20.555   0.054

  No H/Q in entry =          13
  In of MODEL    7
    1    H    PHE 105           H        PHE 105   0.627  13.545   3.131
    2    HA   PHE 105           HA       PHE 105   1.421  13.195   0.380
    3    HB2  PHE 105           HB2      PHE 105   3.036  13.698   2.215
    4    HB3  PHE 105           HB3      PHE 105   2.708  12.110   2.896
    5    HD1  PHE 105           HD1      PHE 105   3.769  13.664  -0.328
    6    HD2  PHE 105           HD2      PHE 105   4.130  10.390   2.367
    7    HE1  PHE 105           HE1      PHE 105   5.536  12.699  -1.742
    8    HE2  PHE 105           HE2      PHE 105   5.898   9.419   0.955
    9    HZ   PHE 105           HZ       PHE 105   6.589  10.573  -1.117

  No H/Q in entry =           9
  In of MODEL    7
    1    H    PHE 106           H        PHE 106  -0.354  11.386   2.645
    2    HA   PHE 106           HA       PHE 106   0.044   8.915   1.146
    3    HB2  PHE 106           HB2      PHE 106  -1.582   9.445   3.643
    4    HB3  PHE 106           HB3      PHE 106  -1.341   7.868   2.900
    5    HD1  PHE 106           HD1      PHE 106  -0.303   9.900   5.475
    6    HD2  PHE 106           HD2      PHE 106   1.288   7.348   2.462
    7    HE1  PHE 106           HE1      PHE 106   1.744   9.607   6.808
    8    HE2  PHE 106           HE2      PHE 106   3.336   7.051   3.790
    9    HZ   PHE 106           HZ       PHE 106   3.565   8.178   5.969

  No H/Q in entry =           9
  In of MODEL    7
    1    H    GLN 107           H        GLN 107  -2.110  11.570   1.366
    2    HA   GLN 107           HA       GLN 107  -4.222  10.102  -0.022
    3    HB2  GLN 107           HB2      GLN 107  -4.993  11.497   1.798
    4    HB3  GLN 107           HB3      GLN 107  -4.185  12.901   1.112
    5   HE21  GLN 107          HE21      GLN 107  -7.892  11.672   1.547
    6   HE22  GLN 107          HE22      GLN 107  -8.477  13.232   2.025
    7    HG2  GLN 107           HG2      GLN 107  -5.661  12.797  -0.835
    8    HG3  GLN 107           HG3      GLN 107  -6.473  11.398  -0.138

  No H/Q in entry =           8
  In of MODEL    7
    1    H    GLU 108           H        GLU 108  -2.574  13.242  -0.419
    2    HA   GLU 108           HA       GLU 108  -3.537  13.788  -2.981
    3    HB2  GLU 108           HB2      GLU 108  -2.338  15.351  -1.355
    4    HB3  GLU 108           HB3      GLU 108  -0.837  14.654  -1.946
    5    HG2  GLU 108           HG2      GLU 108  -0.980  16.494  -3.274
    6    HG3  GLU 108           HG3      GLU 108  -1.825  15.320  -4.283

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LEU 109           H        LEU 109  -0.511  12.281  -1.949
    2    HA   LEU 109           HA       LEU 109   0.546  12.003  -4.574
    3    HB2  LEU 109           HB2      LEU 109   1.656  11.999  -2.150
    4    HB3  LEU 109           HB3      LEU 109   1.465  10.269  -2.327
    5   HD11  LEU 109          HD11      LEU 109   2.202   9.728  -5.106
    6   HD13  LEU 109          HD12      LEU 109   3.005   8.997  -3.716
    7   HD12  LEU 109          HD13      LEU 109   3.958   9.808  -4.959
    8   HD21  LEU 109          HD21      LEU 109   2.167  12.315  -5.274
    9   HD23  LEU 109          HD22      LEU 109   3.926  12.241  -5.165
   10   HD22  LEU 109          HD23      LEU 109   3.012  13.234  -4.028
   11    HG   LEU 109           HG       LEU 109   3.723  11.187  -2.953

  No H/Q in entry =          11
  In of MODEL    7
    1    H    PHE 110           H        PHE 110  -1.669  10.131  -2.683
    2    HA   PHE 110           HA       PHE 110  -1.168   7.738  -4.280
    3    HB2  PHE 110           HB2      PHE 110  -1.532   7.577  -1.796
    4    HB3  PHE 110           HB3      PHE 110  -3.198   8.076  -2.067
    5    HD1  PHE 110           HD1      PHE 110  -4.825   6.544  -2.764
    6    HD2  PHE 110           HD2      PHE 110  -0.721   5.431  -2.801
    7    HE1  PHE 110           HE1      PHE 110  -5.470   4.209  -3.175
    8    HE2  PHE 110           HE2      PHE 110  -1.357   3.087  -3.215
    9    HZ   PHE 110           HZ       PHE 110  -3.688   2.461  -3.391

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ASP 111           H        ASP 111  -3.736  10.087  -3.659
    2    HA   ASP 111           HA       ASP 111  -5.780   8.835  -5.077
    3    HB2  ASP 111           HB2      ASP 111  -6.044  10.803  -3.561
    4    HB3  ASP 111           HB3      ASP 111  -5.358  11.816  -4.827

  No H/Q in entry =           4
  In of MODEL    7
    1    H    SER 112           H        SER 112  -3.356  11.178  -6.233
    2    HA   SER 112           HA       SER 112  -3.478   9.955  -8.841
    3    HB2  SER 112           HB2      SER 112  -5.320  11.696  -8.854
    4    HB3  SER 112           HB3      SER 112  -4.071  12.921  -8.645
    5    HG   SER 112           HG       SER 112  -3.282  11.411 -10.653

  No H/Q in entry =           5
  In of MODEL    8
    1    H1   GLY  12           H2       GLY  12  -9.352 -18.244  -0.069
    2    H2   GLY  12           H1       GLY  12  -7.956 -18.459   0.870
    3    H3   GLY  12           H3       GLY  12  -9.347 -17.778   1.562
    4    HA2  GLY  12           HA2      GLY  12  -7.654 -16.566  -0.553
    5    HA3  GLY  12           HA3      GLY  12  -7.754 -16.049   1.125

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ALA  13           H        ALA  13  -9.339 -14.686   1.750
    2    HA   ALA  13           HA       ALA  13 -11.033 -13.181   1.612
    3    HB3  ALA  13           HB1      ALA  13  -9.580 -12.222  -0.114
    4    HB2  ALA  13           HB2      ALA  13 -11.286 -11.952  -0.471
    5    HB1  ALA  13           HB3      ALA  13 -10.391 -13.200  -1.337

  No H/Q in entry =           5
  In of MODEL    8
    1    H    MET  14           H        MET  14 -12.007 -15.649   1.876
    2    HA   MET  14           HA       MET  14 -13.957 -16.191  -0.213
    3    HB2  MET  14           HB2      MET  14 -12.832 -18.107   0.720
    4    HB3  MET  14           HB3      MET  14 -13.273 -17.630   2.354
    5    HE3  MET  14           HE1      MET  14 -16.794 -20.421   0.187
    6    HE2  MET  14           HE2      MET  14 -17.583 -19.527  -1.112
    7    HE1  MET  14           HE3      MET  14 -17.667 -18.931   0.544
    8    HG2  MET  14           HG2      MET  14 -14.636 -19.483   1.522
    9    HG3  MET  14           HG3      MET  14 -15.600 -18.054   1.893

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ALA  15           H        ALA  15 -15.708 -14.988  -0.220
    2    HA   ALA  15           HA       ALA  15 -17.590 -13.894   0.414
    3    HB2  ALA  15           HB1      ALA  15 -18.207 -16.158   1.166
    4    HB3  ALA  15           HB2      ALA  15 -18.941 -14.896   2.155
    5    HB1  ALA  15           HB3      ALA  15 -17.547 -15.789   2.762

  No H/Q in entry =           5
  In of MODEL    8
    1    H    THR  16           H        THR  16 -15.396 -12.478   0.987
    2    HA   THR  16           HA       THR  16 -15.802 -11.439   3.708
    3    HB   THR  16           HB       THR  16 -13.509 -10.366   3.293
    4    HG1  THR  16           HG1      THR  16 -13.664 -10.948   0.954
    5   HG21  THR  16          HG21      THR  16 -13.852 -12.283   4.796
    6   HG23  THR  16          HG22      THR  16 -12.310 -12.390   3.945
    7   HG22  THR  16          HG23      THR  16 -13.675 -13.379   3.426

  No H/Q in entry =           7
  In of MODEL    8
    1    HA   PRO  17           HA       PRO  17 -17.641  -7.943   1.568
    2    HB2  PRO  17           HB2      PRO  17 -17.980  -6.458   3.859
    3    HB3  PRO  17           HB3      PRO  17 -19.113  -7.688   3.291
    4    HD2  PRO  17           HD2      PRO  17 -16.450 -10.059   4.853
    5    HD3  PRO  17           HD3      PRO  17 -18.013 -10.360   4.064
    6    HG2  PRO  17           HG2      PRO  17 -16.995  -7.882   5.388
    7    HG3  PRO  17           HG3      PRO  17 -18.632  -8.561   5.379

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLY  18           H        GLY  18 -16.445  -6.515   0.507
    2    HA3  GLY  18           HA2      GLY  18 -13.967  -5.535   1.713
    3    HA2  GLY  18           HA3      GLY  18 -14.415  -5.414   0.017

  No H/Q in entry =           3
  In of MODEL    8
    1    H    SER  19           H        SER  19 -15.633  -4.288   3.179
    2    HA   SER  19           HA       SER  19 -16.083  -1.682   1.922
    3    HB2  SER  19           HB2      SER  19 -18.169  -2.803   2.674
    4    HB3  SER  19           HB3      SER  19 -17.525  -2.831   4.316
    5    HG   SER  19           HG       SER  19 -18.281  -0.602   2.745

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLU  20           H        GLU  20 -15.375  -3.204   4.981
    2    HA   GLU  20           HA       GLU  20 -14.142  -1.233   6.422
    3    HB2  GLU  20           HB2      GLU  20 -12.597  -3.343   7.025
    4    HB3  GLU  20           HB3      GLU  20 -14.274  -3.221   7.554
    5    HG2  GLU  20           HG2      GLU  20 -13.862  -4.392   4.889
    6    HG3  GLU  20           HG3      GLU  20 -13.258  -5.336   6.228

  No H/Q in entry =           6
  In of MODEL    8
    1    H    ASN  21           H        ASN  21 -12.364  -3.594   4.494
    2    HA   ASN  21           HA       ASN  21 -10.896  -1.831   2.916
    3    HB2  ASN  21           HB2      ASN  21  -8.715  -1.845   3.912
    4    HB3  ASN  21           HB3      ASN  21  -9.833  -1.282   5.145
    5   HD21  ASN  21          HD21      ASN  21  -7.198  -2.457   5.405
    6   HD22  ASN  21          HD22      ASN  21  -7.374  -3.865   6.392

  No H/Q in entry =           6
  In of MODEL    8
    1    H    VAL  22           H        VAL  22  -8.621  -3.288   2.417
    2    HA   VAL  22           HA       VAL  22  -7.902  -5.118   1.273
    3    HB   VAL  22           HB       VAL  22  -9.806  -6.664   3.052
    4   HG13  VAL  22          HG11      VAL  22  -8.356  -8.566   2.643
    5   HG12  VAL  22          HG12      VAL  22  -7.332  -7.585   1.597
    6   HG11  VAL  22          HG13      VAL  22  -8.992  -7.942   1.119
    7   HG22  VAL  22          HG21      VAL  22  -8.285  -5.327   4.397
    8   HG21  VAL  22          HG22      VAL  22  -6.908  -5.948   3.488
    9   HG23  VAL  22          HG23      VAL  22  -7.856  -7.035   4.502

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LEU  23           H        LEU  23  -9.601  -3.713  -0.148
    2    HA   LEU  23           HA       LEU  23 -11.437  -5.629  -1.388
    3    HB2  LEU  23           HB2      LEU  23 -11.935  -3.073  -0.856
    4    HB3  LEU  23           HB3      LEU  23 -11.092  -2.824  -2.370
    5   HD12  LEU  23          HD11      LEU  23 -13.234  -1.763  -3.201
    6   HD11  LEU  23          HD12      LEU  23 -14.029  -2.158  -1.677
    7   HD13  LEU  23          HD13      LEU  23 -14.721  -2.712  -3.202
    8   HD21  LEU  23          HD21      LEU  23 -12.134  -5.250  -3.895
    9   HD23  LEU  23          HD22      LEU  23 -12.136  -3.606  -4.533
   10   HD22  LEU  23          HD23      LEU  23 -13.636  -4.531  -4.477
   11    HG   LEU  23           HG       LEU  23 -13.570  -4.525  -2.041

  No H/Q in entry =          11
  In of MODEL    8
    1    HA   PRO  24           HA       PRO  24  -7.889  -6.610  -3.991
    2    HB2  PRO  24           HB2      PRO  24 -10.031  -8.040  -5.474
    3    HB3  PRO  24           HB3      PRO  24  -8.471  -8.639  -4.904
    4    HD2  PRO  24           HD2      PRO  24 -11.677  -7.266  -3.188
    5    HD3  PRO  24           HD3      PRO  24 -10.695  -7.455  -1.720
    6    HG2  PRO  24           HG2      PRO  24 -10.714  -9.321  -3.655
    7    HG3  PRO  24           HG3      PRO  24  -9.245  -8.948  -2.734

  No H/Q in entry =           7
  In of MODEL    8
    1    H    ARG  25           H        ARG  25  -7.454  -4.673  -5.001
    2    HA   ARG  25           HA       ARG  25  -8.997  -4.083  -7.440
    3    HB2  ARG  25           HB2      ARG  25  -7.909  -2.052  -5.479
    4    HB3  ARG  25           HB3      ARG  25  -8.684  -1.674  -7.009
    5    HD2  ARG  25           HD2      ARG  25 -11.185  -1.096  -4.253
    6    HD3  ARG  25           HD3      ARG  25  -9.465  -0.713  -4.264
    7    HE   ARG  25           HE       ARG  25 -10.750  -0.262  -6.795
    8    HG2  ARG  25           HG2      ARG  25 -10.774  -2.582  -6.228
    9    HG3  ARG  25           HG3      ARG  25 -10.016  -3.113  -4.726
   10   HH11  ARG  25          HH11      ARG  25 -10.042   1.121  -3.659
   11   HH12  ARG  25          HH12      ARG  25 -10.249   2.760  -4.188
   12   HH21  ARG  25          HH21      ARG  25 -11.024   1.908  -7.502
   13   HH22  ARG  25          HH22      ARG  25 -10.826   3.208  -6.364

  No H/Q in entry =          13
  In of MODEL    8
    1    H    GLU  26           H        GLU  26  -7.528  -4.928  -8.843
    2    HA   GLU  26           HA       GLU  26  -4.771  -4.781  -8.689
    3    HB2  GLU  26           HB2      GLU  26  -5.991  -6.280 -10.206
    4    HB3  GLU  26           HB3      GLU  26  -6.428  -4.898 -11.206
    5    HG2  GLU  26           HG2      GLU  26  -4.014  -4.474 -11.576
    6    HG3  GLU  26           HG3      GLU  26  -3.663  -5.961 -10.696

  No H/Q in entry =           6
  In of MODEL    8
    1    HA   PRO  27           HA       PRO  27  -5.070  -0.713 -11.542
    2    HB2  PRO  27           HB2      PRO  27  -7.092   0.872 -10.410
    3    HB3  PRO  27           HB3      PRO  27  -7.126   0.110 -12.002
    4    HD2  PRO  27           HD2      PRO  27  -7.867  -3.026  -9.765
    5    HD3  PRO  27           HD3      PRO  27  -7.593  -2.811 -11.509
    6    HG2  PRO  27           HG2      PRO  27  -8.328  -0.777  -9.436
    7    HG3  PRO  27           HG3      PRO  27  -8.940  -0.965 -11.089

  No H/Q in entry =           7
  In of MODEL    8
    1    H    LEU  28           H        LEU  28  -5.885  -1.080  -8.150
    2    HA   LEU  28           HA       LEU  28  -4.724   1.381  -7.298
    3    HB2  LEU  28           HB2      LEU  28  -6.496   0.097  -6.071
    4    HB3  LEU  28           HB3      LEU  28  -5.275  -1.088  -5.652
    5   HD13  LEU  28          HD11      LEU  28  -6.075   1.654  -2.946
    6   HD12  LEU  28          HD12      LEU  28  -6.767   0.117  -3.463
    7   HD11  LEU  28          HD13      LEU  28  -7.053   1.578  -4.410
    8   HD23  LEU  28          HD21      LEU  28  -3.866   0.589  -2.871
    9   HD22  LEU  28          HD22      LEU  28  -3.155  -0.106  -4.328
   10   HD21  LEU  28          HD23      LEU  28  -4.463  -0.949  -3.496
   11    HG   LEU  28           HG       LEU  28  -4.656   1.709  -4.912

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ILE  29           H        ILE  29  -3.491  -1.756  -8.041
    2    HA   ILE  29           HA       ILE  29  -1.097  -1.761  -6.588
    3    HB   ILE  29           HB       ILE  29  -1.618  -2.862  -9.359
    4   HD13  ILE  29          HD11      ILE  29  -2.184  -5.161  -5.817
    5   HD12  ILE  29          HD12      ILE  29  -1.745  -3.463  -5.637
    6   HD11  ILE  29          HD13      ILE  29  -0.555  -4.622  -6.227
    7   HG12  ILE  29          HG12      ILE  29  -3.087  -3.803  -7.623
    8   HG13  ILE  29          HG13      ILE  29  -1.944  -5.004  -8.209
    9   HG23  ILE  29          HG21      ILE  29   0.324  -4.304  -8.967
   10   HG22  ILE  29          HG22      ILE  29   0.633  -3.472  -7.443
   11   HG21  ILE  29          HG23      ILE  29   0.771  -2.599  -8.969

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ALA  30           H        ALA  30  -1.839  -0.409  -9.786
    2    HA   ALA  30           HA       ALA  30   0.744   0.573 -10.340
    3    HB2  ALA  30           HB1      ALA  30  -1.899   1.644 -11.331
    4    HB1  ALA  30           HB2      ALA  30  -1.012   0.300 -12.051
    5    HB3  ALA  30           HB3      ALA  30  -0.317   1.922 -12.056

  No H/Q in entry =           5
  In of MODEL    8
    1    H    THR  31           H        THR  31  -2.114   2.078  -8.897
    2    HA   THR  31           HA       THR  31  -1.098   4.617  -8.391
    3    HB   THR  31           HB       THR  31  -3.010   3.042  -6.651
    4    HG1  THR  31           HG1      THR  31  -3.431   4.622  -8.991
    5   HG23  THR  31          HG21      THR  31  -2.227   5.086  -5.583
    6   HG22  THR  31          HG22      THR  31  -3.913   5.258  -6.075
    7   HG21  THR  31          HG23      THR  31  -2.633   6.015  -7.024

  No H/Q in entry =           7
  In of MODEL    8
    1    H    ALA  32           H        ALA  32  -0.766   1.604  -6.577
    2    HA   ALA  32           HA       ALA  32   0.442   2.747  -4.282
    3    HB3  ALA  32           HB1      ALA  32   0.607  -0.099  -5.266
    4    HB1  ALA  32           HB2      ALA  32  -0.667   0.562  -4.241
    5    HB2  ALA  32           HB3      ALA  32   0.989   0.470  -3.640

  No H/Q in entry =           5
  In of MODEL    8
    1    H    VAL  33           H        VAL  33   1.808   1.085  -7.123
    2    HA   VAL  33           HA       VAL  33   4.476   1.136  -6.262
    3    HB   VAL  33           HB       VAL  33   3.441   1.197  -9.109
    4   HG12  VAL  33          HG11      VAL  33   5.627   0.215  -9.695
    5   HG11  VAL  33          HG12      VAL  33   6.162   0.457  -8.032
    6   HG13  VAL  33          HG13      VAL  33   5.775   1.848  -9.046
    7   HG21  VAL  33          HG21      VAL  33   4.223  -1.111  -7.332
    8   HG23  VAL  33          HG22      VAL  33   3.793  -1.235  -9.036
    9   HG22  VAL  33          HG23      VAL  33   2.590  -0.706  -7.860

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LYS  34           H        LYS  34   2.690   3.503  -8.263
    2    HA   LYS  34           HA       LYS  34   4.926   5.231  -8.565
    3    HB2  LYS  34           HB2      LYS  34   3.377   6.862  -9.459
    4    HB3  LYS  34           HB3      LYS  34   3.058   5.278 -10.140
    5    HD2  LYS  34           HD2      LYS  34   1.766   6.971  -6.946
    6    HD3  LYS  34           HD3      LYS  34   1.757   8.059  -8.342
    7    HE2  LYS  34           HE2      LYS  34  -0.629   6.500  -7.391
    8    HE3  LYS  34           HE3      LYS  34  -0.269   8.160  -6.925
    9    HG2  LYS  34           HG2      LYS  34   0.951   6.134  -9.730
   10    HG3  LYS  34           HG3      LYS  34   1.244   5.091  -8.339
   11    HZ3  LYS  34           HZ1      LYS  34  -1.839   8.096  -8.761
   12    HZ2  LYS  34           HZ2      LYS  34  -0.749   7.197  -9.700
   13    HZ1  LYS  34           HZ3      LYS  34  -0.376   8.794  -9.267

  No H/Q in entry =          13
  In of MODEL    8
    1    H    PHE  35           H        PHE  35   2.590   4.780  -6.092
    2    HA   PHE  35           HA       PHE  35   3.040   7.210  -4.678
    3    HB2  PHE  35           HB2      PHE  35   1.085   5.772  -4.287
    4    HB3  PHE  35           HB3      PHE  35   2.146   4.520  -3.647
    5    HD1  PHE  35           HD1      PHE  35   1.077   8.020  -3.120
    6    HD2  PHE  35           HD2      PHE  35   2.744   4.500  -1.423
    7    HE1  PHE  35           HE1      PHE  35   0.908   9.028  -0.889
    8    HE2  PHE  35           HE2      PHE  35   2.590   5.486   0.801
    9    HZ   PHE  35           HZ       PHE  35   1.705   7.799   1.074

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LEU  36           H        LEU  36   4.222   3.901  -4.273
    2    HA   LEU  36           HA       LEU  36   5.915   4.304  -2.111
    3    HB2  LEU  36           HB2      LEU  36   6.380   2.328  -4.337
    4    HB3  LEU  36           HB3      LEU  36   6.892   2.186  -2.667
    5   HD13  LEU  36          HD11      LEU  36   5.237   0.167  -4.348
    6   HD12  LEU  36          HD12      LEU  36   4.101  -0.243  -3.062
    7   HD11  LEU  36          HD13      LEU  36   5.824  -0.104  -2.709
    8   HD22  LEU  36          HD21      LEU  36   3.511   1.438  -1.341
    9   HD21  LEU  36          HD22      LEU  36   4.289   3.021  -1.344
   10   HD23  LEU  36          HD23      LEU  36   5.211   1.586  -0.895
   11    HG   LEU  36           HG       LEU  36   4.028   2.139  -3.610

  No H/Q in entry =          11
  In of MODEL    8
    1    H    GLN  37           H        GLN  37   6.765   4.173  -5.568
    2    HA   GLN  37           HA       GLN  37   9.443   5.108  -4.873
    3    HB2  GLN  37           HB2      GLN  37   8.400   4.124  -7.529
    4    HB3  GLN  37           HB3      GLN  37  10.080   4.465  -7.133
    5   HE21  GLN  37          HE21      GLN  37   8.393   1.342  -8.171
    6   HE22  GLN  37          HE22      GLN  37   9.841   0.649  -8.820
    7    HG2  GLN  37           HG2      GLN  37   9.852   2.704  -5.321
    8    HG3  GLN  37           HG3      GLN  37   8.336   2.257  -6.101

  No H/Q in entry =           8
  In of MODEL    8
    1    H    ASN  38           H        ASN  38   7.022   6.839  -4.880
    2    HA   ASN  38           HA       ASN  38   7.333   8.695  -7.011
    3    HB2  ASN  38           HB2      ASN  38   5.339   8.544  -5.435
    4    HB3  ASN  38           HB3      ASN  38   6.343   9.345  -4.226
    5   HD21  ASN  38          HD21      ASN  38   4.650   9.677  -7.223
    6   HD22  ASN  38          HD22      ASN  38   4.717  11.403  -7.312

  No H/Q in entry =           6
  In of MODEL    8
    1    H    SER  39           H        SER  39   8.475   8.648  -3.656
    2    HA   SER  39           HA       SER  39  11.045   9.555  -4.325
    3    HB2  SER  39           HB2      SER  39  10.911  11.787  -3.152
    4    HB3  SER  39           HB3      SER  39  10.083  11.713  -4.708
    5    HG   SER  39           HG       SER  39   8.489  12.499  -3.562

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ARG  40           H        ARG  40   8.822  10.162  -1.590
    2    HA   ARG  40           HA       ARG  40  11.006   9.408   0.190
    3    HB2  ARG  40           HB2      ARG  40   8.373  10.739   0.827
    4    HB3  ARG  40           HB3      ARG  40   9.708  10.505   1.948
    5    HD2  ARG  40           HD2      ARG  40  10.183  14.020   1.146
    6    HD3  ARG  40           HD3      ARG  40   8.742  13.166   1.701
    7    HE   ARG  40           HE       ARG  40  11.338  12.282   2.717
    8    HG2  ARG  40           HG2      ARG  40  11.105  11.880   0.336
    9    HG3  ARG  40           HG3      ARG  40   9.583  12.303  -0.451
   10   HH11  ARG  40          HH11      ARG  40   8.347  14.015   3.293
   11   HH12  ARG  40          HH12      ARG  40   8.507  13.978   5.025
   12   HH21  ARG  40          HH21      ARG  40  11.560  12.236   4.988
   13   HH22  ARG  40          HH22      ARG  40  10.337  12.977   5.982

  No H/Q in entry =          13
  In of MODEL    8
    1    H    VAL  41           H        VAL  41   8.023   8.048  -0.903
    2    HA   VAL  41           HA       VAL  41   7.243   6.727   1.469
    3    HB   VAL  41           HB       VAL  41   6.680   5.861  -1.368
    4   HG11  VAL  41          HG11      VAL  41   5.284   5.203   1.224
    5   HG13  VAL  41          HG12      VAL  41   6.239   4.092   0.241
    6   HG12  VAL  41          HG13      VAL  41   4.723   4.746  -0.385
    7   HG23  VAL  41          HG21      VAL  41   5.109   7.643   0.485
    8   HG22  VAL  41          HG22      VAL  41   4.580   7.083  -1.102
    9   HG21  VAL  41          HG23      VAL  41   5.974   8.154  -0.964

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ARG  42           H        ARG  42   9.425   5.772  -1.138
    2    HA   ARG  42           HA       ARG  42   9.898   3.121  -0.393
    3    HB2  ARG  42           HB2      ARG  42  11.535   5.239  -1.751
    4    HB3  ARG  42           HB3      ARG  42  12.311   3.734  -1.290
    5    HD2  ARG  42           HD2      ARG  42  10.352   1.643  -2.017
    6    HD3  ARG  42           HD3      ARG  42  10.714   1.627  -3.741
    7    HE   ARG  42           HE       ARG  42  12.834   2.041  -1.722
    8    HG2  ARG  42           HG2      ARG  42   9.822   3.793  -2.960
    9    HG3  ARG  42           HG3      ARG  42  11.436   3.927  -3.659
   10   HH11  ARG  42          HH11      ARG  42  11.573   0.361  -4.526
   11   HH12  ARG  42          HH12      ARG  42  12.992  -0.606  -4.759
   12   HH21  ARG  42          HH21      ARG  42  14.709   0.746  -1.997
   13   HH22  ARG  42          HH22      ARG  42  14.786  -0.388  -3.317

  No H/Q in entry =          13
  In of MODEL    8
    1    H    GLN  43           H        GLN  43  10.944   6.116   1.022
    2    HA   GLN  43           HA       GLN  43  12.877   4.776   2.769
    3    HB2  GLN  43           HB2      GLN  43  13.562   6.804   1.509
    4    HB3  GLN  43           HB3      GLN  43  12.329   7.725   2.353
    5   HE21  GLN  43          HE21      GLN  43  16.247   7.297   2.396
    6   HE22  GLN  43          HE22      GLN  43  16.560   8.997   2.410
    7    HG2  GLN  43           HG2      GLN  43  13.465   7.372   4.460
    8    HG3  GLN  43           HG3      GLN  43  14.666   6.354   3.666

  No H/Q in entry =           8
  In of MODEL    8
    1    H    SER  44           H        SER  44   9.675   5.586   2.738
    2    HA   SER  44           HA       SER  44   9.379   6.465   5.471
    3    HB2  SER  44           HB2      SER  44   7.310   5.534   3.456
    4    HB3  SER  44           HB3      SER  44   6.959   6.321   4.994
    5    HG   SER  44           HG       SER  44   8.702   7.608   3.229

  No H/Q in entry =           5
  In of MODEL    8
    1    HA   PRO  45           HA       PRO  45   9.372   2.635   7.608
    2    HB2  PRO  45           HB2      PRO  45   6.862   3.613   8.880
    3    HB3  PRO  45           HB3      PRO  45   8.346   3.015   9.627
    4    HD2  PRO  45           HD2      PRO  45   7.506   6.083   7.352
    5    HD3  PRO  45           HD3      PRO  45   9.271   6.261   7.410
    6    HG2  PRO  45           HG2      PRO  45   7.801   5.619   9.588
    7    HG3  PRO  45           HG3      PRO  45   9.457   5.031   9.347

  No H/Q in entry =           7
  In of MODEL    8
    1    H    LEU  46           H        LEU  46   8.659   0.670   7.211
    2    HA   LEU  46           HA       LEU  46   6.778   0.231   5.158
    3    HB2  LEU  46           HB2      LEU  46   8.166  -1.638   7.062
    4    HB3  LEU  46           HB3      LEU  46   7.032  -2.214   5.859
    5   HD11  LEU  46          HD11      LEU  46   9.782   0.359   5.579
    6   HD13  LEU  46          HD12      LEU  46  10.853  -0.751   4.723
    7   HD12  LEU  46          HD13      LEU  46  10.459  -1.035   6.419
    8   HD21  LEU  46          HD21      LEU  46   9.611  -3.386   5.770
    9   HD23  LEU  46          HD22      LEU  46  10.097  -2.996   4.119
   10   HD22  LEU  46          HD23      LEU  46   8.445  -3.516   4.453
   11    HG   LEU  46           HG       LEU  46   8.517  -1.123   4.114

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ALA  47           H        ALA  47   6.491   0.280   8.615
    2    HA   ALA  47           HA       ALA  47   4.159  -1.207   8.968
    3    HB1  ALA  47           HB1      ALA  47   5.540  -0.423  10.823
    4    HB2  ALA  47           HB2      ALA  47   3.854   0.047  11.036
    5    HB3  ALA  47           HB3      ALA  47   5.042   1.237  10.502

  No H/Q in entry =           5
  In of MODEL    8
    1    H    THR  48           H        THR  48   4.497   2.310   8.465
    2    HA   THR  48           HA       THR  48   1.803   2.931   8.161
    3    HB   THR  48           HB       THR  48   4.170   4.180   6.755
    4    HG1  THR  48           HG1      THR  48   3.498   5.806   8.558
    5   HG22  THR  48          HG21      THR  48   2.710   6.148   6.464
    6   HG21  THR  48          HG22      THR  48   1.356   5.240   7.131
    7   HG23  THR  48          HG23      THR  48   2.079   4.744   5.599

  No H/Q in entry =           7
  In of MODEL    8
    1    H    ARG  49           H        ARG  49   4.178   2.095   5.641
    2    HA   ARG  49           HA       ARG  49   2.517   2.575   3.468
    3    HB2  ARG  49           HB2      ARG  49   4.686   0.491   3.519
    4    HB3  ARG  49           HB3      ARG  49   4.084   1.370   2.125
    5    HD2  ARG  49           HD2      ARG  49   6.148   2.502   1.403
    6    HD3  ARG  49           HD3      ARG  49   7.303   2.976   2.637
    7    HE   ARG  49           HE       ARG  49   6.450   0.215   2.719
    8    HG2  ARG  49           HG2      ARG  49   4.939   3.466   3.229
    9    HG3  ARG  49           HG3      ARG  49   5.754   2.411   4.388
   10   HH11  ARG  49          HH11      ARG  49   8.850   2.538   1.716
   11   HH12  ARG  49          HH12      ARG  49  10.038   1.335   1.322
   12   HH21  ARG  49          HH21      ARG  49   8.007  -1.383   2.177
   13   HH22  ARG  49          HH22      ARG  49   9.539  -0.896   1.531

  No H/Q in entry =          13
  In of MODEL    8
    1    H    ARG  50           H        ARG  50   2.987  -0.459   5.259
    2    HA   ARG  50           HA       ARG  50   1.566  -2.029   3.360
    3    HB2  ARG  50           HB2      ARG  50   2.229  -2.635   6.246
    4    HB3  ARG  50           HB3      ARG  50   1.641  -3.805   5.071
    5    HD2  ARG  50           HD2      ARG  50   3.673  -5.269   5.092
    6    HD3  ARG  50           HD3      ARG  50   5.262  -4.503   5.078
    7    HE   ARG  50           HE       ARG  50   3.682  -3.609   7.282
    8    HG2  ARG  50           HG2      ARG  50   3.648  -3.310   3.680
    9    HG3  ARG  50           HG3      ARG  50   4.251  -2.311   5.001
   10   HH11  ARG  50          HH11      ARG  50   5.722  -6.231   6.152
   11   HH12  ARG  50          HH12      ARG  50   6.068  -6.820   7.753
   12   HH21  ARG  50          HH21      ARG  50   4.161  -4.349   9.384
   13   HH22  ARG  50          HH22      ARG  50   5.191  -5.728   9.593

  No H/Q in entry =          13
  In of MODEL    8
    1    H    ALA  51           H        ALA  51   0.630  -0.726   6.550
    2    HA   ALA  51           HA       ALA  51  -2.046  -1.650   6.441
    3    HB3  ALA  51           HB1      ALA  51  -0.907   0.727   7.914
    4    HB1  ALA  51           HB2      ALA  51  -1.001  -0.922   8.529
    5    HB2  ALA  51           HB3      ALA  51  -2.479  -0.014   8.214

  No H/Q in entry =           5
  In of MODEL    8
    1    H    PHE  52           H        PHE  52  -0.426   1.241   5.382
    2    HA   PHE  52           HA       PHE  52  -2.443   2.963   4.714
    3    HB2  PHE  52           HB2      PHE  52  -0.190   3.642   4.581
    4    HB3  PHE  52           HB3      PHE  52   0.204   2.390   3.413
    5    HD1  PHE  52           HD1      PHE  52   0.306   2.900   1.222
    6    HD2  PHE  52           HD2      PHE  52  -1.975   5.367   3.821
    7    HE1  PHE  52           HE1      PHE  52  -0.047   4.485  -0.606
    8    HE2  PHE  52           HE2      PHE  52  -2.345   6.955   1.993
    9    HZ   PHE  52           HZ       PHE  52  -1.339   6.519  -0.218

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LEU  53           H        LEU  53  -0.930   0.788   2.280
    2    HA   LEU  53           HA       LEU  53  -2.965   1.433   0.417
    3    HB2  LEU  53           HB2      LEU  53  -1.891  -0.697  -0.773
    4    HB3  LEU  53           HB3      LEU  53  -1.167   0.896  -0.801
    5   HD11  LEU  53          HD11      LEU  53  -1.100  -1.738   1.878
    6   HD13  LEU  53          HD12      LEU  53   0.544  -2.234   1.476
    7   HD12  LEU  53          HD13      LEU  53  -0.773  -2.549   0.346
    8   HD23  LEU  53          HD21      LEU  53   0.551  -1.293  -1.447
    9   HD22  LEU  53          HD22      LEU  53   1.820  -1.047  -0.246
   10   HD21  LEU  53          HD23      LEU  53   1.120   0.337  -1.084
   11    HG   LEU  53           HG       LEU  53   0.239   0.163   1.174

  No H/Q in entry =          11
  In of MODEL    8
    1    H    LYS  54           H        LYS  54  -2.615  -1.228   2.703
    2    HA   LYS  54           HA       LYS  54  -4.674  -2.872   1.727
    3    HB2  LYS  54           HB2      LYS  54  -3.692  -2.317   4.516
    4    HB3  LYS  54           HB3      LYS  54  -5.017  -3.429   4.217
    5    HD2  LYS  54           HD2      LYS  54  -2.185  -3.854   5.442
    6    HD3  LYS  54           HD3      LYS  54  -3.457  -5.073   5.411
    7    HE2  LYS  54           HE2      LYS  54  -0.839  -5.394   3.962
    8    HE3  LYS  54           HE3      LYS  54  -1.082  -5.920   5.627
    9    HG2  LYS  54           HG2      LYS  54  -3.604  -4.890   2.972
   10    HG3  LYS  54           HG3      LYS  54  -2.292  -3.695   2.993
   11    HZ3  LYS  54           HZ1      LYS  54  -1.413  -7.755   4.151
   12    HZ2  LYS  54           HZ2      LYS  54  -2.551  -6.891   3.240
   13    HZ1  LYS  54           HZ3      LYS  54  -2.911  -7.339   4.831

  No H/Q in entry =          13
  In of MODEL    8
    1    H    LYS  55           H        LYS  55  -4.753  -0.020   3.791
    2    HA   LYS  55           HA       LYS  55  -7.574  -0.099   4.251
    3    HB2  LYS  55           HB2      LYS  55  -5.515   2.079   4.683
    4    HB3  LYS  55           HB3      LYS  55  -7.199   2.190   5.193
    5    HD2  LYS  55           HD2      LYS  55  -5.380   1.221   8.286
    6    HD3  LYS  55           HD3      LYS  55  -4.756   2.318   7.053
    7    HE2  LYS  55           HE2      LYS  55  -6.385   3.447   8.471
    8    HE3  LYS  55           HE3      LYS  55  -6.970   3.324   6.815
    9    HG2  LYS  55           HG2      LYS  55  -6.918   0.257   6.648
   10    HG3  LYS  55           HG3      LYS  55  -5.236   0.096   6.124
   11    HZ1  LYS  55           HZ1      LYS  55  -7.769   1.554   9.064
   12    HZ3  LYS  55           HZ2      LYS  55  -8.340   1.445   7.467
   13    HZ2  LYS  55           HZ3      LYS  55  -8.704   2.806   8.408

  No H/Q in entry =          13
  In of MODEL    8
    1    H    LYS  56           H        LYS  56  -5.481   1.429   1.904
    2    HA   LYS  56           HA       LYS  56  -7.355   3.247   0.820
    3    HB2  LYS  56           HB2      LYS  56  -5.098   1.813  -0.587
    4    HB3  LYS  56           HB3      LYS  56  -5.933   3.240  -1.176
    5    HD2  LYS  56           HD2      LYS  56  -4.444   5.723   0.627
    6    HD3  LYS  56           HD3      LYS  56  -6.061   5.128   0.255
    7    HE2  LYS  56           HE2      LYS  56  -6.276   4.237   2.504
    8    HE3  LYS  56           HE3      LYS  56  -4.633   4.754   2.882
    9    HG2  LYS  56           HG2      LYS  56  -4.240   3.095   1.311
   10    HG3  LYS  56           HG3      LYS  56  -3.748   3.775  -0.239
   11    HZ1  LYS  56           HZ1      LYS  56  -5.396   7.064   2.378
   12    HZ3  LYS  56           HZ2      LYS  56  -6.083   6.368   3.762
   13    HZ2  LYS  56           HZ3      LYS  56  -6.987   6.471   2.326

  No H/Q in entry =          13
  In of MODEL    8
    1    H    GLY  57           H        GLY  57  -6.874  -0.155   0.512
    2    HA3  GLY  57           HA2      GLY  57  -9.013  -1.326  -0.118
    3    HA2  GLY  57           HA3      GLY  57  -8.969  -0.308  -1.553

  No H/Q in entry =           3
  In of MODEL    8
    1    H    LEU  58           H        LEU  58  -6.855  -2.558   0.238
    2    HA   LEU  58           HA       LEU  58  -6.299  -3.964  -2.239
    3    HB2  LEU  58           HB2      LEU  58  -4.647  -1.982  -1.855
    4    HB3  LEU  58           HB3      LEU  58  -3.952  -3.027  -0.632
    5   HD13  LEU  58          HD11      LEU  58  -5.294  -3.937  -4.007
    6   HD12  LEU  58          HD12      LEU  58  -3.693  -3.988  -4.745
    7   HD11  LEU  58          HD13      LEU  58  -4.368  -2.449  -4.209
    8   HD21  LEU  58          HD21      LEU  58  -1.821  -3.376  -1.616
    9   HD23  LEU  58          HD22      LEU  58  -2.217  -2.157  -2.829
   10   HD22  LEU  58          HD23      LEU  58  -1.659  -3.757  -3.328
   11    HG   LEU  58           HG       LEU  58  -3.666  -4.772  -2.420

  No H/Q in entry =          11
  In of MODEL    8
    1    H    THR  59           H        THR  59  -5.627  -6.055  -1.925
    2    HA   THR  59           HA       THR  59  -6.069  -7.142   0.736
    3    HB   THR  59           HB       THR  59  -5.277  -8.707  -1.683
    4    HG1  THR  59           HG1      THR  59  -6.960  -7.422  -2.422
    5   HG22  THR  59          HG21      THR  59  -6.776 -10.408  -0.712
    6   HG21  THR  59          HG22      THR  59  -7.094  -9.326   0.643
    7   HG23  THR  59          HG23      THR  59  -5.470  -9.962   0.385

  No H/Q in entry =           7
  In of MODEL    8
    1    H    ASP  60           H        ASP  60  -4.579  -8.897   1.511
    2    HA   ASP  60           HA       ASP  60  -2.012  -8.056   2.032
    3    HB2  ASP  60           HB2      ASP  60  -2.910 -10.933   1.806
    4    HB3  ASP  60           HB3      ASP  60  -1.575 -10.321   2.777

  No H/Q in entry =           4
  In of MODEL    8
    1    H    GLU  61           H        GLU  61  -2.921 -10.567  -0.317
    2    HA   GLU  61           HA       GLU  61  -0.376 -11.056  -1.343
    3    HB2  GLU  61           HB2      GLU  61  -1.560 -12.062  -3.268
    4    HB3  GLU  61           HB3      GLU  61  -2.212 -12.580  -1.720
    5    HG2  GLU  61           HG2      GLU  61  -4.119 -11.208  -1.955
    6    HG3  GLU  61           HG3      GLU  61  -3.417 -10.344  -3.328

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLU  62           H        GLU  62  -2.618  -8.508  -2.053
    2    HA   GLU  62           HA       GLU  62  -1.380  -7.803  -4.542
    3    HB2  GLU  62           HB2      GLU  62  -3.406  -6.331  -2.861
    4    HB3  GLU  62           HB3      GLU  62  -2.909  -5.875  -4.484
    5    HG2  GLU  62           HG2      GLU  62  -3.790  -7.965  -5.357
    6    HG3  GLU  62           HG3      GLU  62  -4.266  -8.450  -3.729

  No H/Q in entry =           6
  In of MODEL    8
    1    H    ILE  63           H        ILE  63  -1.039  -6.904  -1.168
    2    HA   ILE  63           HA       ILE  63   0.387  -4.497  -1.717
    3    HB   ILE  63           HB       ILE  63   0.842  -4.249   0.534
    4   HD11  ILE  63          HD11      ILE  63   1.779  -5.010   2.681
    5   HD13  ILE  63          HD12      ILE  63   1.743  -6.721   3.105
    6   HD12  ILE  63          HD13      ILE  63   0.243  -5.799   3.043
    7   HG12  ILE  63          HG12      ILE  63   0.470  -7.195   1.081
    8   HG13  ILE  63          HG13      ILE  63   2.040  -6.477   0.728
    9   HG21  ILE  63          HG21      ILE  63  -1.553  -4.284   0.151
   10   HG23  ILE  63          HG22      ILE  63  -1.169  -4.890   1.763
   11   HG22  ILE  63          HG23      ILE  63  -1.594  -6.017   0.474

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ASP  64           H        ASP  64   1.332  -7.896  -1.282
    2    HA   ASP  64           HA       ASP  64   4.109  -7.218  -1.612
    3    HB2  ASP  64           HB2      ASP  64   4.584  -9.579  -1.879
    4    HB3  ASP  64           HB3      ASP  64   3.592  -9.303  -0.470

  No H/Q in entry =           4
  In of MODEL    8
    1    H    MET  65           H        MET  65   1.451  -7.943  -3.751
    2    HA   MET  65           HA       MET  65   2.916  -8.390  -6.076
    3    HB2  MET  65           HB2      MET  65   0.435  -8.494  -5.952
    4    HB3  MET  65           HB3      MET  65   0.389  -6.742  -5.833
    5    HE1  MET  65           HE1      MET  65   3.574  -8.575  -8.391
    6    HE3  MET  65           HE2      MET  65   3.273 -10.303  -8.566
    7    HE2  MET  65           HE3      MET  65   2.973  -9.508  -7.019
    8    HG2  MET  65           HG2      MET  65  -0.079  -7.141  -8.057
    9    HG3  MET  65           HG3      MET  65   1.637  -6.750  -8.070

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ALA  66           H        ALA  66   1.828  -5.342  -4.642
    2    HA   ALA  66           HA       ALA  66   3.223  -3.659  -6.440
    3    HB1  ALA  66           HB1      ALA  66   2.270  -3.050  -3.643
    4    HB3  ALA  66           HB2      ALA  66   1.307  -2.901  -5.112
    5    HB2  ALA  66           HB3      ALA  66   2.717  -1.869  -4.876

  No H/Q in entry =           5
  In of MODEL    8
    1    H    PHE  67           H        PHE  67   3.977  -4.547  -3.040
    2    HA   PHE  67           HA       PHE  67   6.370  -3.045  -3.011
    3    HB2  PHE  67           HB2      PHE  67   5.112  -5.003  -1.167
    4    HB3  PHE  67           HB3      PHE  67   6.826  -4.656  -0.950
    5    HD1  PHE  67           HD1      PHE  67   6.992  -1.797  -1.577
    6    HD2  PHE  67           HD2      PHE  67   4.014  -3.965   0.559
    7    HE1  PHE  67           HE1      PHE  67   6.388   0.238  -0.331
    8    HE2  PHE  67           HE2      PHE  67   3.427  -1.951   1.809
    9    HZ   PHE  67           HZ       PHE  67   4.717   0.218   1.308

  No H/Q in entry =           9
  In of MODEL    8
    1    H    GLN  68           H        GLN  68   5.797  -6.476  -3.680
    2    HA   GLN  68           HA       GLN  68   8.516  -7.230  -3.544
    3    HB2  GLN  68           HB2      GLN  68   6.708  -8.881  -3.449
    4    HB3  GLN  68           HB3      GLN  68   6.275  -8.517  -5.110
    5   HE21  GLN  68          HE21      GLN  68   9.202 -11.855  -4.489
    6   HE22  GLN  68          HE22      GLN  68  10.334 -11.427  -3.247
    7    HG2  GLN  68           HG2      GLN  68   7.497 -10.560  -5.063
    8    HG3  GLN  68           HG3      GLN  68   8.498  -9.326  -5.821

  No H/Q in entry =           8
  In of MODEL    8
    1    H    GLN  69           H        GLN  69   6.419  -6.255  -6.260
    2    HA   GLN  69           HA       GLN  69   8.576  -6.464  -8.146
    3    HB2  GLN  69           HB2      GLN  69   5.852  -5.192  -8.406
    4    HB3  GLN  69           HB3      GLN  69   6.985  -5.416  -9.733
    5   HE21  GLN  69          HE21      GLN  69   6.880  -7.755 -11.355
    6   HE22  GLN  69          HE22      GLN  69   8.081  -8.961 -11.029
    7    HG2  GLN  69           HG2      GLN  69   5.637  -7.559  -8.110
    8    HG3  GLN  69           HG3      GLN  69   5.347  -7.157  -9.802

  No H/Q in entry =           8
  In of MODEL    8
    1    H    SER  70           H        SER  70   7.422  -4.011  -6.014
    2    HA   SER  70           HA       SER  70   8.705  -1.841  -7.393
    3    HB2  SER  70           HB2      SER  70   6.743  -1.475  -5.921
    4    HB3  SER  70           HB3      SER  70   7.707  -1.986  -4.537
    5    HG   SER  70           HG       SER  70   9.048  -0.093  -5.847

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLY  71           H        GLY  71   9.707  -4.358  -5.345
    2    HA3  GLY  71           HA2      GLY  71  11.883  -4.961  -4.830
    3    HA2  GLY  71           HA3      GLY  71  12.433  -3.418  -5.462

  No H/Q in entry =           3
  In of MODEL    8
    1    H    THR  72           H        THR  72   9.936  -3.629  -3.024
    2    HA   THR  72           HA       THR  72  11.844  -3.030  -0.914
    3    HB   THR  72           HB       THR  72  11.383  -0.831  -1.827
    4    HG1  THR  72           HG1      THR  72  11.626  -0.649   0.329
    5   HG23  THR  72          HG21      THR  72   9.239  -1.239  -2.884
    6   HG22  THR  72          HG22      THR  72   9.128   0.139  -1.789
    7   HG21  THR  72          HG23      THR  72   8.472  -1.425  -1.305

  No H/Q in entry =           7
  In of MODEL    8
    1    H    ALA  73           H        ALA  73  10.528  -5.326  -1.140
    2    HA   ALA  73           HA       ALA  73   8.129  -5.230   0.521
    3    HB1  ALA  73           HB1      ALA  73   8.162  -6.711  -1.442
    4    HB3  ALA  73           HB2      ALA  73   7.936  -7.609   0.059
    5    HB2  ALA  73           HB3      ALA  73   9.511  -7.602  -0.734

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ALA  74           H        ALA  74  11.487  -5.970   0.649
    2    HA   ALA  74           HA       ALA  74  12.940  -6.231   2.357
    3    HB3  ALA  74           HB1      ALA  74  10.593  -5.799   4.196
    4    HB1  ALA  74           HB2      ALA  74  11.636  -4.535   3.545
    5    HB2  ALA  74           HB3      ALA  74  12.297  -5.746   4.643

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ASP  75           H        ASP  75  10.057  -7.723   3.854
    2    HA   ASP  75           HA       ASP  75  11.532 -10.277   3.802
    3    HB2  ASP  75           HB2      ASP  75   9.767  -9.343   6.077
    4    HB3  ASP  75           HB3      ASP  75  10.702 -10.830   6.011

  No H/Q in entry =           4
  In of MODEL    8
    1    H    GLU  76           H        GLU  76   8.434  -9.817   5.291
    2    HA   GLU  76           HA       GLU  76   7.152 -11.270   3.084
    3    HB2  GLU  76           HB2      GLU  76   5.799 -12.455   4.857
    4    HB3  GLU  76           HB3      GLU  76   7.498 -12.901   4.784
    5    HG2  GLU  76           HG2      GLU  76   7.979 -11.491   6.694
    6    HG3  GLU  76           HG3      GLU  76   6.300 -10.956   6.746

  No H/Q in entry =           6
  In of MODEL    8
    1    HA   PRO  77           HA       PRO  77   4.440  -7.697   3.709
    2    HB2  PRO  77           HB2      PRO  77   3.622  -8.144   0.961
    3    HB3  PRO  77           HB3      PRO  77   4.506  -6.776   1.641
    4    HD2  PRO  77           HD2      PRO  77   5.483 -10.497   1.228
    5    HD3  PRO  77           HD3      PRO  77   7.073  -9.884   1.742
    6    HG2  PRO  77           HG2      PRO  77   5.627  -8.568  -0.075
    7    HG3  PRO  77           HG3      PRO  77   6.552  -7.693   1.159

  No H/Q in entry =           7
  In of MODEL    8
    1    H    SER  78           H        SER  78   3.568  -9.844   4.935
    2    HA   SER  78           HA       SER  78   1.804 -11.156   5.506
    3    HB2  SER  78           HB2      SER  78  -0.428 -10.096   5.242
    4    HB3  SER  78           HB3      SER  78   0.781  -8.982   5.867
    5    HG   SER  78           HG       SER  78   0.717  -8.898   3.161

  No H/Q in entry =           5
  In of MODEL    8
    1    H    SER  79           H        SER  79   3.008 -12.053   3.152
    2    HA   SER  79           HA       SER  79   0.977 -12.511   1.155
    3    HB2  SER  79           HB2      SER  79   3.771 -13.651   1.317
    4    HB3  SER  79           HB3      SER  79   2.746 -13.550  -0.118
    5    HG   SER  79           HG       SER  79   2.835 -11.249   0.101

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LEU  80           H        LEU  80   2.305 -14.149   3.869
    2    HA   LEU  80           HA       LEU  80   1.905 -16.134   4.879
    3    HB2  LEU  80           HB2      LEU  80  -0.501 -15.553   4.212
    4    HB3  LEU  80           HB3      LEU  80  -0.285 -16.649   2.866
    5   HD12  LEU  80          HD11      LEU  80   1.010 -19.015   4.036
    6   HD11  LEU  80          HD12      LEU  80  -0.534 -19.044   3.184
    7   HD13  LEU  80          HD13      LEU  80  -0.402 -19.750   4.795
    8   HD23  LEU  80          HD21      LEU  80   1.249 -17.504   6.091
    9   HD22  LEU  80          HD22      LEU  80  -0.163 -18.311   6.775
   10   HD21  LEU  80          HD23      LEU  80  -0.145 -16.556   6.604
   11    HG   LEU  80           HG       LEU  80  -1.504 -17.584   4.868

  No H/Q in entry =          11
  In of MODEL    8
    1    H    TRP  81           H        TRP  81   0.967 -17.051   1.590
    2    HA   TRP  81           HA       TRP  81   3.513 -18.059   0.856
    3    HB2  TRP  81           HB2      TRP  81   2.706 -19.835   2.489
    4    HB3  TRP  81           HB3      TRP  81   1.409 -20.180   1.350
    5    HD1  TRP  81           HD1      TRP  81   2.395 -20.858  -1.252
    6    HE1  TRP  81           HE1      TRP  81   4.354 -22.439  -1.802
    7    HE3  TRP  81           HE3      TRP  81   4.785 -20.771   3.263
    8    HH2  TRP  81           HH2      TRP  81   7.726 -23.443   1.707
    9    HZ2  TRP  81           HZ2      TRP  81   6.609 -23.510  -0.481
   10    HZ3  TRP  81           HZ3      TRP  81   6.834 -22.104   3.539

  No H/Q in entry =          10
  In of MODEL    8
    1    H1   SER 101           H1       SER 101   4.311  18.855   5.003
    2    H2   SER 101           H3       SER 101   3.284  20.184   4.804
    3    H3   SER 101           H2       SER 101   2.780  18.860   5.731
    4    HA   SER 101           HA       SER 101   1.689  18.758   3.641
    5    HB2  SER 101           HB2      SER 101   4.462  18.779   2.426
    6    HB3  SER 101           HB3      SER 101   2.931  18.723   1.552
    7    HG   SER 101           HG       SER 101   2.588  20.804   1.956

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLN 102           H        GLN 102   2.380  17.001   5.664
    2    HA   GLN 102           HA       GLN 102   3.770  14.717   4.547
    3    HB2  GLN 102           HB2      GLN 102   4.129  15.348   6.879
    4    HB3  GLN 102           HB3      GLN 102   2.418  15.142   7.216
    5   HE21  GLN 102          HE21      GLN 102   2.955  11.349   8.424
    6   HE22  GLN 102          HE22      GLN 102   3.578  11.867   9.954
    7    HG2  GLN 102           HG2      GLN 102   2.611  12.755   6.733
    8    HG3  GLN 102           HG3      GLN 102   4.331  12.966   6.404

  No H/Q in entry =           8
  In of MODEL    8
    1    H    GLU 103           H        GLU 103   0.495  15.432   5.744
    2    HA   GLU 103           HA       GLU 103  -0.488  12.844   5.023
    3    HB2  GLU 103           HB2      GLU 103  -1.897  15.375   5.861
    4    HB3  GLU 103           HB3      GLU 103  -2.720  13.846   5.568
    5    HG2  GLU 103           HG2      GLU 103  -1.459  12.785   7.333
    6    HG3  GLU 103           HG3      GLU 103  -0.534  14.261   7.596

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LYS 104           H        LYS 104  -0.459  16.020   3.527
    2    HA   LYS 104           HA       LYS 104  -2.084  15.574   1.318
    3    HB2  LYS 104           HB2      LYS 104  -1.130  17.748   1.698
    4    HB3  LYS 104           HB3      LYS 104   0.503  17.118   1.575
    5    HD2  LYS 104           HD2      LYS 104  -0.511  19.491  -0.107
    6    HD3  LYS 104           HD3      LYS 104   1.097  18.771  -0.049
    7    HE2  LYS 104           HE2      LYS 104   0.774  20.011  -2.119
    8    HE3  LYS 104           HE3      LYS 104   0.965  18.290  -2.446
    9    HG2  LYS 104           HG2      LYS 104   0.088  16.621  -0.817
   10    HG3  LYS 104           HG3      LYS 104  -1.504  17.370  -0.662
   11    HZ1  LYS 104           HZ1      LYS 104  -1.728  19.473  -2.185
   12    HZ3  LYS 104           HZ2      LYS 104  -1.256  18.067  -3.011
   13    HZ2  LYS 104           HZ3      LYS 104  -0.877  19.589  -3.647

  No H/Q in entry =          13
  In of MODEL    8
    1    H    PHE 105           H        PHE 105   1.167  14.490   1.990
    2    HA   PHE 105           HA       PHE 105   1.801  13.579  -0.623
    3    HB2  PHE 105           HB2      PHE 105   3.388  14.175   1.293
    4    HB3  PHE 105           HB3      PHE 105   3.002  12.600   1.971
    5    HD1  PHE 105           HD1      PHE 105   4.554  14.333  -0.880
    6    HD2  PHE 105           HD2      PHE 105   3.997  10.624   1.127
    7    HE1  PHE 105           HE1      PHE 105   6.338  13.330  -2.244
    8    HE2  PHE 105           HE2      PHE 105   5.777   9.616  -0.237
    9    HZ   PHE 105           HZ       PHE 105   6.951  10.971  -1.923

  No H/Q in entry =           9
  In of MODEL    8
    1    H    PHE 106           H        PHE 106   0.514  12.005   2.284
    2    HA   PHE 106           HA       PHE 106   0.540   9.389   1.115
    3    HB2  PHE 106           HB2      PHE 106  -0.599  10.529   3.647
    4    HB3  PHE 106           HB3      PHE 106  -1.002   8.895   3.142
    5    HD1  PHE 106           HD1      PHE 106   1.139  10.787   5.116
    6    HD2  PHE 106           HD2      PHE 106   1.152   7.450   2.475
    7    HE1  PHE 106           HE1      PHE 106   3.235   9.996   6.130
    8    HE2  PHE 106           HE2      PHE 106   3.243   6.648   3.494
    9    HZ   PHE 106           HZ       PHE 106   4.185   7.825   5.447

  No H/Q in entry =           9
  In of MODEL    8
    1    H    GLN 107           H        GLN 107  -1.876  11.927   1.487
    2    HA   GLN 107           HA       GLN 107  -4.020  10.129   0.727
    3    HB2  GLN 107           HB2      GLN 107  -4.080  12.095   2.437
    4    HB3  GLN 107           HB3      GLN 107  -4.321  13.101   1.020
    5   HE21  GLN 107          HE21      GLN 107  -6.493  10.288  -0.467
    6   HE22  GLN 107          HE22      GLN 107  -7.325  11.377  -1.524
    7    HG2  GLN 107           HG2      GLN 107  -6.086  10.758   1.667
    8    HG3  GLN 107           HG3      GLN 107  -6.388  12.381   2.279

  No H/Q in entry =           8
  In of MODEL    8
    1    H    GLU 108           H        GLU 108  -2.720  13.194  -0.587
    2    HA   GLU 108           HA       GLU 108  -4.459  13.245  -2.790
    3    HB2  GLU 108           HB2      GLU 108  -3.345  15.242  -1.978
    4    HB3  GLU 108           HB3      GLU 108  -1.779  14.580  -2.429
    5    HG2  GLU 108           HG2      GLU 108  -2.459  14.606  -4.785
    6    HG3  GLU 108           HG3      GLU 108  -4.011  15.300  -4.315

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LEU 109           H        LEU 109  -1.043  12.224  -2.615
    2    HA   LEU 109           HA       LEU 109  -0.718  11.731  -5.346
    3    HB2  LEU 109           HB2      LEU 109   0.640  10.354  -3.023
    4    HB3  LEU 109           HB3      LEU 109   1.165  10.268  -4.695
    5   HD13  LEU 109          HD11      LEU 109   2.953  11.219  -2.446
    6   HD12  LEU 109          HD12      LEU 109   3.572  12.634  -3.299
    7   HD11  LEU 109          HD13      LEU 109   3.370  11.107  -4.157
    8   HD23  LEU 109          HD21      LEU 109   1.944  12.440  -5.842
    9   HD22  LEU 109          HD22      LEU 109   2.156  13.881  -4.849
   10   HD21  LEU 109          HD23      LEU 109   0.533  13.313  -5.240
   11    HG   LEU 109           HG       LEU 109   1.137  12.729  -2.950

  No H/Q in entry =          11
  In of MODEL    8
    1    H    PHE 110           H        PHE 110  -2.145   9.756  -2.845
    2    HA   PHE 110           HA       PHE 110  -2.139   7.425  -4.587
    3    HB2  PHE 110           HB2      PHE 110  -1.668   7.490  -2.002
    4    HB3  PHE 110           HB3      PHE 110  -3.424   7.438  -1.889
    5    HD1  PHE 110           HD1      PHE 110  -4.661   5.467  -2.627
    6    HD2  PHE 110           HD2      PHE 110  -0.417   5.619  -2.800
    7    HE1  PHE 110           HE1      PHE 110  -4.589   3.029  -2.949
    8    HE2  PHE 110           HE2      PHE 110  -0.337   3.187  -3.120
    9    HZ   PHE 110           HZ       PHE 110  -2.424   1.889  -3.199

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ASP 111           H        ASP 111  -4.104  10.067  -4.122
    2    HA   ASP 111           HA       ASP 111  -6.644   8.744  -4.138
    3    HB2  ASP 111           HB2      ASP 111  -6.327  11.060  -3.270
    4    HB3  ASP 111           HB3      ASP 111  -6.048  11.604  -4.924

  No H/Q in entry =           4
  In of MODEL    8
    1    H    SER 112           H        SER 112  -4.364   9.684  -6.539
    2    HA   SER 112           HA       SER 112  -5.927   8.290  -8.530
    3    HB2  SER 112           HB2      SER 112  -5.040  11.158  -8.976
    4    HB3  SER 112           HB3      SER 112  -5.746  10.105 -10.204
    5    HG   SER 112           HG       SER 112  -7.342  10.104  -8.062

  No H/Q in entry =           5
  In of MODEL    9
    1    H1   GLY  12           H2       GLY  12 -24.406  -9.571  10.983
    2    H2   GLY  12           H1       GLY  12 -24.715 -10.790   9.844
    3    H3   GLY  12           H3       GLY  12 -23.587 -11.052  11.081
    4    HA2  GLY  12           HA2      GLY  12 -23.328  -9.116   8.852
    5    HA3  GLY  12           HA3      GLY  12 -22.444 -10.625   9.026

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ALA  13           H        ALA  13 -20.457 -10.395   9.723
    2    HA   ALA  13           HA       ALA  13 -18.581  -9.567  10.678
    3    HB2  ALA  13           HB1      ALA  13 -20.074  -6.948  10.781
    4    HB3  ALA  13           HB2      ALA  13 -19.146  -7.540   9.406
    5    HB1  ALA  13           HB3      ALA  13 -18.330  -7.168  10.923

  No H/Q in entry =           5
  In of MODEL    9
    1    H    MET  14           H        MET  14 -20.099 -10.990  12.353
    2    HA   MET  14           HA       MET  14 -20.365  -9.475  14.844
    3    HB2  MET  14           HB2      MET  14 -22.207 -10.984  14.136
    4    HB3  MET  14           HB3      MET  14 -21.107 -12.347  14.235
    5    HE2  MET  14           HE1      MET  14 -20.824 -13.381  19.265
    6    HE1  MET  14           HE2      MET  14 -22.399 -12.999  18.569
    7    HE3  MET  14           HE3      MET  14 -21.294 -11.699  19.016
    8    HG2  MET  14           HG2      MET  14 -21.630 -10.610  16.617
    9    HG3  MET  14           HG3      MET  14 -22.729 -11.914  16.177

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ALA  15           H        ALA  15 -18.806 -12.426  13.608
    2    HA   ALA  15           HA       ALA  15 -17.015 -12.411  15.927
    3    HB2  ALA  15           HB1      ALA  15 -16.311 -14.623  15.158
    4    HB3  ALA  15           HB2      ALA  15 -17.346 -14.460  13.740
    5    HB1  ALA  15           HB3      ALA  15 -18.061 -14.535  15.349

  No H/Q in entry =           5
  In of MODEL    9
    1    H    THR  16           H        THR  16 -17.138 -11.417  12.706
    2    HA   THR  16           HA       THR  16 -14.219 -11.055  12.668
    3    HB   THR  16           HB       THR  16 -14.853 -12.529  10.849
    4    HG1  THR  16           HG1      THR  16 -13.262 -10.975  10.332
    5   HG21  THR  16          HG21      THR  16 -17.221 -11.935  10.668
    6   HG23  THR  16          HG22      THR  16 -16.422 -11.864   9.098
    7   HG22  THR  16          HG23      THR  16 -16.781 -10.375   9.972

  No H/Q in entry =           7
  In of MODEL    9
    1    HA   PRO  17           HA       PRO  17 -15.142  -6.705  12.981
    2    HB2  PRO  17           HB2      PRO  17 -12.536  -6.377  11.608
    3    HB3  PRO  17           HB3      PRO  17 -13.077  -5.735  13.162
    4    HD2  PRO  17           HD2      PRO  17 -12.468  -9.338  11.810
    5    HD3  PRO  17           HD3      PRO  17 -13.034  -9.771  13.437
    6    HG2  PRO  17           HG2      PRO  17 -11.316  -7.742  13.032
    7    HG3  PRO  17           HG3      PRO  17 -12.557  -7.679  14.299

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLY  18           H        GLY  18 -16.430  -5.627  11.652
    2    HA3  GLY  18           HA2      GLY  18 -16.660  -6.301   8.891
    3    HA2  GLY  18           HA3      GLY  18 -17.555  -5.047   9.733

  No H/Q in entry =           3
  In of MODEL    9
    1    H    SER  19           H        SER  19 -14.265  -5.700   8.584
    2    HA   SER  19           HA       SER  19 -14.176  -2.938   7.562
    3    HB2  SER  19           HB2      SER  19 -11.846  -4.690   8.391
    4    HB3  SER  19           HB3      SER  19 -11.752  -3.013   7.845
    5    HG   SER  19           HG       SER  19 -13.477  -3.024   9.812

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLU  20           H        GLU  20 -15.154  -3.566   5.608
    2    HA   GLU  20           HA       GLU  20 -13.832  -5.635   4.034
    3    HB2  GLU  20           HB2      GLU  20 -16.380  -4.095   3.541
    4    HB3  GLU  20           HB3      GLU  20 -15.741  -5.318   2.462
    5    HG2  GLU  20           HG2      GLU  20 -15.848  -6.879   4.466
    6    HG3  GLU  20           HG3      GLU  20 -16.849  -5.629   5.189

  No H/Q in entry =           6
  In of MODEL    9
    1    H    ASN  21           H        ASN  21 -13.375  -2.446   4.548
    2    HA   ASN  21           HA       ASN  21 -12.955  -1.584   1.832
    3    HB2  ASN  21           HB2      ASN  21 -13.523  -0.021   3.738
    4    HB3  ASN  21           HB3      ASN  21 -11.892  -0.283   4.350
    5   HD21  ASN  21          HD21      ASN  21 -11.275   1.844   4.092
    6   HD22  ASN  21          HD22      ASN  21 -11.025   2.555   2.533

  No H/Q in entry =           6
  In of MODEL    9
    1    H    VAL  22           H        VAL  22 -11.713  -3.847   1.894
    2    HA   VAL  22           HA       VAL  22  -8.874  -3.078   1.743
    3    HB   VAL  22           HB       VAL  22  -9.526  -4.685   3.691
    4   HG12  VAL  22          HG11      VAL  22  -9.549  -7.070   3.045
    5   HG11  VAL  22          HG12      VAL  22  -9.636  -6.584   1.349
    6   HG13  VAL  22          HG13      VAL  22 -10.957  -6.186   2.453
    7   HG22  VAL  22          HG21      VAL  22  -7.230  -4.224   3.060
    8   HG21  VAL  22          HG22      VAL  22  -7.326  -5.415   1.764
    9   HG23  VAL  22          HG23      VAL  22  -7.431  -5.933   3.446

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LEU  23           H        LEU  23 -11.473  -3.610   0.057
    2    HA   LEU  23           HA       LEU  23 -11.131  -5.844  -1.565
    3    HB2  LEU  23           HB2      LEU  23 -13.237  -4.733  -1.488
    4    HB3  LEU  23           HB3      LEU  23 -12.530  -3.223  -2.031
    5   HD13  LEU  23          HD11      LEU  23 -11.800  -6.507  -3.672
    6   HD12  LEU  23          HD12      LEU  23 -13.138  -6.372  -4.813
    7   HD11  LEU  23          HD13      LEU  23 -13.464  -6.638  -3.099
    8   HD22  LEU  23          HD21      LEU  23 -14.444  -4.329  -4.971
    9   HD21  LEU  23          HD22      LEU  23 -14.213  -3.018  -3.815
   10   HD23  LEU  23          HD23      LEU  23 -14.965  -4.528  -3.298
   11    HG   LEU  23           HG       LEU  23 -12.123  -4.198  -4.245

  No H/Q in entry =          11
  In of MODEL    9
    1    HA   PRO  24           HA       PRO  24  -7.497  -4.421  -3.779
    2    HB2  PRO  24           HB2      PRO  24  -7.742  -7.096  -4.986
    3    HB3  PRO  24           HB3      PRO  24  -6.391  -6.394  -4.095
    4    HD2  PRO  24           HD2      PRO  24 -10.016  -7.357  -3.229
    5    HD3  PRO  24           HD3      PRO  24  -9.562  -6.829  -1.592
    6    HG2  PRO  24           HG2      PRO  24  -7.901  -8.327  -3.038
    7    HG3  PRO  24           HG3      PRO  24  -7.283  -6.994  -2.041

  No H/Q in entry =           7
  In of MODEL    9
    1    H    ARG  25           H        ARG  25  -7.452  -3.355  -5.636
    2    HA   ARG  25           HA       ARG  25  -9.365  -4.116  -7.745
    3    HB2  ARG  25           HB2      ARG  25  -8.441  -1.378  -6.894
    4    HB3  ARG  25           HB3      ARG  25  -9.273  -1.676  -8.413
    5    HD2  ARG  25           HD2      ARG  25 -10.291   0.158  -6.138
    6    HD3  ARG  25           HD3      ARG  25 -11.016  -0.111  -7.722
    7    HE   ARG  25           HE       ARG  25 -12.554  -0.972  -5.401
    8    HG2  ARG  25           HG2      ARG  25 -11.210  -2.515  -7.179
    9    HG3  ARG  25           HG3      ARG  25 -10.369  -2.211  -5.658
   10   HH11  ARG  25          HH11      ARG  25 -11.965   1.494  -7.813
   11   HH12  ARG  25          HH12      ARG  25 -13.556   2.196  -7.672
   12   HH21  ARG  25          HH21      ARG  25 -14.661  -0.065  -5.223
   13   HH22  ARG  25          HH22      ARG  25 -15.094   1.285  -6.230

  No H/Q in entry =          13
  In of MODEL    9
    1    H    GLU  26           H        GLU  26  -8.660  -3.455  -9.976
    2    HA   GLU  26           HA       GLU  26  -6.141  -4.677 -10.425
    3    HB2  GLU  26           HB2      GLU  26  -7.796  -3.095 -12.391
    4    HB3  GLU  26           HB3      GLU  26  -6.526  -4.245 -12.784
    5    HG2  GLU  26           HG2      GLU  26  -7.872  -6.043 -11.814
    6    HG3  GLU  26           HG3      GLU  26  -9.146  -4.875 -11.455

  No H/Q in entry =           6
  In of MODEL    9
    1    HA   PRO  27           HA       PRO  27  -4.469  -0.433 -11.825
    2    HB2  PRO  27           HB2      PRO  27  -5.880   1.824 -11.484
    3    HB3  PRO  27           HB3      PRO  27  -6.164   0.752 -12.862
    4    HD2  PRO  27           HD2      PRO  27  -8.128  -1.223 -10.175
    5    HD3  PRO  27           HD3      PRO  27  -8.061  -1.434 -11.935
    6    HG2  PRO  27           HG2      PRO  27  -7.683   1.023 -10.310
    7    HG3  PRO  27           HG3      PRO  27  -8.300   0.843 -11.961

  No H/Q in entry =           7
  In of MODEL    9
    1    H    LEU  28           H        LEU  28  -6.085  -0.737  -8.822
    2    HA   LEU  28           HA       LEU  28  -4.989   1.482  -7.467
    3    HB2  LEU  28           HB2      LEU  28  -6.983  -0.081  -6.866
    4    HB3  LEU  28           HB3      LEU  28  -5.757  -1.068  -6.094
    5   HD12  LEU  28          HD11      LEU  28  -7.569   1.296  -3.642
    6   HD11  LEU  28          HD12      LEU  28  -7.745  -0.323  -4.316
    7   HD13  LEU  28          HD13      LEU  28  -8.230   1.083  -5.263
    8   HD23  LEU  28          HD21      LEU  28  -5.222   0.947  -3.187
    9   HD22  LEU  28          HD22      LEU  28  -4.097   0.520  -4.476
   10   HD21  LEU  28          HD23      LEU  28  -5.230  -0.684  -3.860
   11    HG   LEU  28           HG       LEU  28  -5.924   1.828  -5.379

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ILE  29           H        ILE  29  -3.850  -1.773  -8.078
    2    HA   ILE  29           HA       ILE  29  -1.633  -1.770  -6.329
    3    HB   ILE  29           HB       ILE  29  -1.842  -3.154  -9.013
    4   HD13  ILE  29          HD11      ILE  29  -3.567  -6.081  -7.464
    5   HD12  ILE  29          HD12      ILE  29  -1.826  -5.979  -7.734
    6   HD11  ILE  29          HD13      ILE  29  -2.947  -5.442  -8.986
    7   HG12  ILE  29          HG12      ILE  29  -2.589  -4.197  -6.272
    8   HG13  ILE  29          HG13      ILE  29  -3.742  -3.671  -7.492
    9   HG21  ILE  29          HG21      ILE  29  -0.139  -3.749  -6.593
   10   HG23  ILE  29          HG22      ILE  29   0.425  -3.100  -8.133
   11   HG22  ILE  29          HG23      ILE  29  -0.229  -4.736  -8.052

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ALA  30           H        ALA  30  -2.116  -0.572  -9.600
    2    HA   ALA  30           HA       ALA  30   0.598   0.132 -10.067
    3    HB3  ALA  30           HB1      ALA  30  -1.907   1.165 -11.397
    4    HB2  ALA  30           HB2      ALA  30  -0.971  -0.242 -11.903
    5    HB1  ALA  30           HB3      ALA  30  -0.259   1.369 -11.992

  No H/Q in entry =           5
  In of MODEL    9
    1    H    THR  31           H        THR  31  -2.250   1.882  -8.888
    2    HA   THR  31           HA       THR  31  -1.070   4.410  -8.604
    3    HB   THR  31           HB       THR  31  -3.148   3.204  -6.763
    4    HG1  THR  31           HG1      THR  31  -3.471   4.547  -9.271
    5   HG22  THR  31          HG21      THR  31  -2.584   6.067  -7.559
    6   HG21  THR  31          HG22      THR  31  -2.200   5.338  -5.998
    7   HG23  THR  31          HG23      THR  31  -3.884   5.529  -6.495

  No H/Q in entry =           7
  In of MODEL    9
    1    H    ALA  32           H        ALA  32  -1.118   1.579  -6.499
    2    HA   ALA  32           HA       ALA  32   0.155   2.781  -4.287
    3    HB2  ALA  32           HB1      ALA  32   0.539   0.509  -3.494
    4    HB3  ALA  32           HB2      ALA  32   0.081  -0.127  -5.075
    5    HB1  ALA  32           HB3      ALA  32  -1.112   0.712  -4.081

  No H/Q in entry =           5
  In of MODEL    9
    1    H    VAL  33           H        VAL  33   1.459   0.784  -6.956
    2    HA   VAL  33           HA       VAL  33   4.110   0.847  -5.982
    3    HB   VAL  33           HB       VAL  33   3.235  -0.779  -7.693
    4   HG13  VAL  33          HG11      VAL  33   3.207  -0.228 -10.000
    5   HG12  VAL  33          HG12      VAL  33   3.800   1.401  -9.678
    6   HG11  VAL  33          HG13      VAL  33   2.184   0.931  -9.152
    7   HG23  VAL  33          HG21      VAL  33   5.795   0.664  -8.358
    8   HG22  VAL  33          HG22      VAL  33   5.365  -0.961  -8.885
    9   HG21  VAL  33          HG23      VAL  33   5.601  -0.624  -7.170

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LYS  34           H        LYS  34   2.333   2.989  -8.170
    2    HA   LYS  34           HA       LYS  34   4.423   4.723  -8.864
    3    HB2  LYS  34           HB2      LYS  34   2.291   4.984  -9.947
    4    HB3  LYS  34           HB3      LYS  34   1.476   5.248  -8.415
    5    HD2  LYS  34           HD2      LYS  34   2.456   7.391  -7.034
    6    HD3  LYS  34           HD3      LYS  34   2.212   8.777  -8.105
    7    HE2  LYS  34           HE2      LYS  34   0.270   6.507  -7.682
    8    HE3  LYS  34           HE3      LYS  34   0.145   8.120  -6.975
    9    HG2  LYS  34           HG2      LYS  34   3.611   7.159  -9.228
   10    HG3  LYS  34           HG3      LYS  34   2.049   7.241 -10.039
   11    HZ1  LYS  34           HZ1      LYS  34   0.067   9.002  -9.280
   12    HZ3  LYS  34           HZ2      LYS  34  -1.258   8.027  -8.884
   13    HZ2  LYS  34           HZ3      LYS  34  -0.014   7.409  -9.855

  No H/Q in entry =          13
  In of MODEL    9
    1    H    PHE  35           H        PHE  35   2.139   4.845  -6.191
    2    HA   PHE  35           HA       PHE  35   3.002   7.069  -4.820
    3    HB2  PHE  35           HB2      PHE  35   1.001   5.758  -4.272
    4    HB3  PHE  35           HB3      PHE  35   2.022   4.453  -3.673
    5    HD1  PHE  35           HD1      PHE  35   1.078   7.974  -3.140
    6    HD2  PHE  35           HD2      PHE  35   2.860   4.479  -1.503
    7    HE1  PHE  35           HE1      PHE  35   1.113   9.028  -0.952
    8    HE2  PHE  35           HE2      PHE  35   2.901   5.526   0.714
    9    HZ   PHE  35           HZ       PHE  35   2.022   7.814   1.002

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LEU  36           H        LEU  36   4.066   3.718  -4.414
    2    HA   LEU  36           HA       LEU  36   5.886   4.148  -2.341
    3    HB2  LEU  36           HB2      LEU  36   6.071   2.013  -4.460
    4    HB3  LEU  36           HB3      LEU  36   6.737   1.954  -2.840
    5   HD12  LEU  36          HD11      LEU  36   3.762  -0.308  -2.825
    6   HD11  LEU  36          HD12      LEU  36   5.520  -0.286  -2.683
    7   HD13  LEU  36          HD13      LEU  36   4.759  -0.033  -4.254
    8   HD22  LEU  36          HD21      LEU  36   4.334   2.984  -1.298
    9   HD21  LEU  36          HD22      LEU  36   5.258   1.538  -0.891
   10   HD23  LEU  36          HD23      LEU  36   3.512   1.434  -1.124
   11    HG   LEU  36           HG       LEU  36   3.789   2.046  -3.471

  No H/Q in entry =          11
  In of MODEL    9
    1    H    GLN  37           H        GLN  37   6.321   4.319  -5.826
    2    HA   GLN  37           HA       GLN  37   9.206   4.412  -5.565
    3    HB2  GLN  37           HB2      GLN  37   7.370   4.450  -7.950
    4    HB3  GLN  37           HB3      GLN  37   9.123   4.554  -8.070
    5   HE21  GLN  37          HE21      GLN  37   9.368   0.545  -8.356
    6   HE22  GLN  37          HE22      GLN  37   8.554   0.446  -9.877
    7    HG2  GLN  37           HG2      GLN  37   9.405   2.400  -7.128
    8    HG3  GLN  37           HG3      GLN  37   7.699   2.311  -6.674

  No H/Q in entry =           8
  In of MODEL    9
    1    H    ASN  38           H        ASN  38   7.578   6.656  -4.515
    2    HA   ASN  38           HA       ASN  38   8.815   8.798  -6.089
    3    HB2  ASN  38           HB2      ASN  38   6.638   8.771  -4.031
    4    HB3  ASN  38           HB3      ASN  38   7.561  10.250  -4.295
    5   HD21  ASN  38          HD21      ASN  38   7.376  11.338  -6.264
    6   HD22  ASN  38          HD22      ASN  38   6.116  10.978  -7.401

  No H/Q in entry =           6
  In of MODEL    9
    1    H    SER  39           H        SER  39  10.232   6.841  -4.510
    2    HA   SER  39           HA       SER  39  12.186   6.764  -3.398
    3    HB2  SER  39           HB2      SER  39  11.994   9.779  -3.267
    4    HB3  SER  39           HB3      SER  39  13.435   8.813  -2.949
    5    HG   SER  39           HG       SER  39  12.884   7.971  -5.225

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ARG  40           H        ARG  40  10.416   9.432  -1.824
    2    HA   ARG  40           HA       ARG  40  11.420   8.940   0.732
    3    HB2  ARG  40           HB2      ARG  40  10.335  11.040  -0.021
    4    HB3  ARG  40           HB3      ARG  40   8.779  10.223   0.014
    5    HD2  ARG  40           HD2      ARG  40   7.929  11.926   1.679
    6    HD3  ARG  40           HD3      ARG  40   8.876  12.223   3.137
    7    HE   ARG  40           HE       ARG  40  10.650  12.954   1.350
    8    HG2  ARG  40           HG2      ARG  40   8.999   9.882   2.417
    9    HG3  ARG  40           HG3      ARG  40  10.579  10.671   2.385
   10   HH11  ARG  40          HH11      ARG  40   7.208  13.614   1.370
   11   HH12  ARG  40          HH12      ARG  40   7.353  15.085   0.454
   12   HH21  ARG  40          HH21      ARG  40  10.845  14.857   0.129
   13   HH22  ARG  40          HH22      ARG  40   9.426  15.780  -0.279

  No H/Q in entry =          13
  In of MODEL    9
    1    H    VAL  41           H        VAL  41   8.588   7.620  -0.888
    2    HA   VAL  41           HA       VAL  41   7.298   6.605   1.393
    3    HB   VAL  41           HB       VAL  41   7.139   5.514  -1.433
    4   HG13  VAL  41          HG11      VAL  41   6.266   3.934   0.167
    5   HG12  VAL  41          HG12      VAL  41   4.911   4.715  -0.649
    6   HG11  VAL  41          HG13      VAL  41   5.355   5.200   0.984
    7   HG21  VAL  41          HG21      VAL  41   6.594   7.903  -1.291
    8   HG23  VAL  41          HG22      VAL  41   5.435   7.559  -0.006
    9   HG22  VAL  41          HG23      VAL  41   5.163   6.927  -1.631

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ARG  42           H        ARG  42   9.658   5.103  -0.810
    2    HA   ARG  42           HA       ARG  42   9.500   2.528   0.387
    3    HB2  ARG  42           HB2      ARG  42  11.885   3.648  -1.105
    4    HB3  ARG  42           HB3      ARG  42  11.451   1.956  -0.899
    5    HD2  ARG  42           HD2      ARG  42  11.001   1.208  -3.222
    6    HD3  ARG  42           HD3      ARG  42  10.448   2.418  -4.372
    7    HE   ARG  42           HE       ARG  42  12.609   3.608  -3.343
    8    HG2  ARG  42           HG2      ARG  42   9.320   2.537  -2.172
    9    HG3  ARG  42           HG3      ARG  42  10.143   4.029  -2.621
   10   HH11  ARG  42          HH11      ARG  42  12.109   0.357  -4.560
   11   HH12  ARG  42          HH12      ARG  42  13.753   0.160  -5.087
   12   HH21  ARG  42          HH21      ARG  42  14.764   3.365  -4.042
   13   HH22  ARG  42          HH22      ARG  42  15.271   1.870  -4.775

  No H/Q in entry =          13
  In of MODEL    9
    1    H    GLN  43           H        GLN  43  11.011   5.450   1.298
    2    HA   GLN  43           HA       GLN  43  12.838   4.126   3.157
    3    HB2  GLN  43           HB2      GLN  43  12.488   7.061   2.516
    4    HB3  GLN  43           HB3      GLN  43  13.727   6.381   3.563
    5   HE21  GLN  43          HE21      GLN  43  13.412   8.428   1.857
    6   HE22  GLN  43          HE22      GLN  43  14.821   9.221   1.232
    7    HG2  GLN  43           HG2      GLN  43  14.698   5.188   1.707
    8    HG3  GLN  43           HG3      GLN  43  13.413   5.747   0.640

  No H/Q in entry =           8
  In of MODEL    9
    1    H    SER  44           H        SER  44   9.700   5.018   3.107
    2    HA   SER  44           HA       SER  44   9.507   5.943   5.857
    3    HB2  SER  44           HB2      SER  44   7.334   5.245   3.851
    4    HB3  SER  44           HB3      SER  44   7.083   6.052   5.399
    5    HG   SER  44           HG       SER  44   8.859   7.140   3.500

  No H/Q in entry =           5
  In of MODEL    9
    1    HA   PRO  45           HA       PRO  45   9.144   2.011   7.746
    2    HB2  PRO  45           HB2      PRO  45   7.020   2.385   9.458
    3    HB3  PRO  45           HB3      PRO  45   8.668   2.935   9.774
    4    HD2  PRO  45           HD2      PRO  45   7.636   5.782   7.342
    5    HD3  PRO  45           HD3      PRO  45   9.120   5.421   8.250
    6    HG2  PRO  45           HG2      PRO  45   6.324   4.467   8.726
    7    HG3  PRO  45           HG3      PRO  45   7.558   4.964   9.899

  No H/Q in entry =           7
  In of MODEL    9
    1    H    LEU  46           H        LEU  46   8.196   0.083   7.403
    2    HA   LEU  46           HA       LEU  46   6.132  -0.220   5.504
    3    HB2  LEU  46           HB2      LEU  46   7.421  -2.116   7.445
    4    HB3  LEU  46           HB3      LEU  46   6.085  -2.626   6.428
    5   HD12  LEU  46          HD11      LEU  46   7.760  -4.377   5.598
    6   HD11  LEU  46          HD12      LEU  46   9.053  -3.632   6.536
    7   HD13  LEU  46          HD13      LEU  46   9.229  -3.826   4.792
    8   HD23  LEU  46          HD21      LEU  46   6.405  -2.970   4.018
    9   HD22  LEU  46          HD22      LEU  46   7.888  -2.417   3.243
   10   HD21  LEU  46          HD23      LEU  46   6.742  -1.244   3.889
   11    HG   LEU  46           HG       LEU  46   8.684  -1.517   5.363

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ALA  47           H        ALA  47   6.092   0.155   8.950
    2    HA   ALA  47           HA       ALA  47   3.583  -0.810   9.597
    3    HB2  ALA  47           HB1      ALA  47   3.570   0.813  11.418
    4    HB3  ALA  47           HB2      ALA  47   4.870   1.715  10.637
    5    HB1  ALA  47           HB3      ALA  47   5.167   0.086  11.243

  No H/Q in entry =           5
  In of MODEL    9
    1    H    THR  48           H        THR  48   4.437   2.419   8.344
    2    HA   THR  48           HA       THR  48   1.740   3.251   8.008
    3    HB   THR  48           HB       THR  48   4.205   4.281   6.595
    4    HG1  THR  48           HG1      THR  48   3.085   4.730   9.130
    5   HG23  THR  48          HG21      THR  48   2.862   6.302   6.220
    6   HG22  THR  48          HG22      THR  48   1.475   5.528   6.984
    7   HG21  THR  48          HG23      THR  48   2.110   4.896   5.465

  No H/Q in entry =           7
  In of MODEL    9
    1    H    ARG  49           H        ARG  49   4.218   2.198   5.671
    2    HA   ARG  49           HA       ARG  49   2.701   2.520   3.384
    3    HB2  ARG  49           HB2      ARG  49   5.071   0.866   4.067
    4    HB3  ARG  49           HB3      ARG  49   4.273   0.570   2.532
    5    HD2  ARG  49           HD2      ARG  49   6.242   1.113   1.434
    6    HD3  ARG  49           HD3      ARG  49   6.798   2.781   1.324
    7    HE   ARG  49           HE       ARG  49   7.645   2.295   3.714
    8    HG2  ARG  49           HG2      ARG  49   4.567   2.963   1.980
    9    HG3  ARG  49           HG3      ARG  49   5.471   3.163   3.482
   10   HH11  ARG  49          HH11      ARG  49   7.607  -0.027   1.080
   11   HH12  ARG  49          HH12      ARG  49   8.997  -0.884   1.664
   12   HH21  ARG  49          HH21      ARG  49   9.482   1.189   4.444
   13   HH22  ARG  49          HH22      ARG  49  10.058  -0.207   3.572

  No H/Q in entry =          13
  In of MODEL    9
    1    H    ARG  50           H        ARG  50   2.984  -0.442   5.361
    2    HA   ARG  50           HA       ARG  50   1.572  -2.043   3.488
    3    HB2  ARG  50           HB2      ARG  50   2.122  -2.513   6.422
    4    HB3  ARG  50           HB3      ARG  50   1.461  -3.717   5.322
    5    HD2  ARG  50           HD2      ARG  50   3.255  -5.267   5.585
    6    HD3  ARG  50           HD3      ARG  50   4.918  -4.800   5.256
    7    HE   ARG  50           HE       ARG  50   4.089  -3.362   7.485
    8    HG2  ARG  50           HG2      ARG  50   3.511  -3.438   3.920
    9    HG3  ARG  50           HG3      ARG  50   4.174  -2.425   5.200
   10   HH11  ARG  50          HH11      ARG  50   4.586  -6.703   6.560
   11   HH12  ARG  50          HH12      ARG  50   5.047  -7.219   8.152
   12   HH21  ARG  50          HH21      ARG  50   4.735  -4.030   9.601
   13   HH22  ARG  50          HH22      ARG  50   5.138  -5.702   9.874

  No H/Q in entry =          13
  In of MODEL    9
    1    H    ALA  51           H        ALA  51   0.537  -0.647   6.616
    2    HA   ALA  51           HA       ALA  51  -2.147  -1.507   6.374
    3    HB1  ALA  51           HB1      ALA  51  -1.151  -0.824   8.512
    4    HB3  ALA  51           HB2      ALA  51  -2.632   0.068   8.166
    5    HB2  ALA  51           HB3      ALA  51  -1.065   0.839   7.933

  No H/Q in entry =           5
  In of MODEL    9
    1    H    PHE  52           H        PHE  52  -0.425   1.315   5.300
    2    HA   PHE  52           HA       PHE  52  -2.467   3.047   4.602
    3    HB2  PHE  52           HB2      PHE  52  -0.248   3.820   4.589
    4    HB3  PHE  52           HB3      PHE  52   0.269   2.571   3.467
    5    HD1  PHE  52           HD1      PHE  52   0.487   3.051   1.274
    6    HD2  PHE  52           HD2      PHE  52  -2.044   5.467   3.685
    7    HE1  PHE  52           HE1      PHE  52   0.151   4.572  -0.615
    8    HE2  PHE  52           HE2      PHE  52  -2.390   6.995   1.798
    9    HZ   PHE  52           HZ       PHE  52  -1.268   6.544  -0.347

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LEU  53           H        LEU  53  -0.778   0.891   2.263
    2    HA   LEU  53           HA       LEU  53  -2.685   1.566   0.272
    3    HB2  LEU  53           HB2      LEU  53  -1.567  -0.516  -0.904
    4    HB3  LEU  53           HB3      LEU  53  -0.772   1.039  -0.793
    5   HD11  LEU  53          HD11      LEU  53  -1.062  -1.671   1.784
    6   HD13  LEU  53          HD12      LEU  53   0.585  -2.243   1.525
    7   HD12  LEU  53          HD13      LEU  53  -0.636  -2.480   0.273
    8   HD22  LEU  53          HD21      LEU  53   1.520   0.319  -0.939
    9   HD21  LEU  53          HD22      LEU  53   0.862  -1.249  -1.401
   10   HD23  LEU  53          HD23      LEU  53   2.048  -1.140  -0.101
   11    HG   LEU  53           HG       LEU  53   0.451   0.161   1.231

  No H/Q in entry =          11
  In of MODEL    9
    1    H    LYS  54           H        LYS  54  -2.575  -0.946   2.661
    2    HA   LYS  54           HA       LYS  54  -4.514  -2.667   1.553
    3    HB2  LYS  54           HB2      LYS  54  -3.820  -2.009   4.406
    4    HB3  LYS  54           HB3      LYS  54  -5.010  -3.230   3.970
    5    HD2  LYS  54           HD2      LYS  54  -2.349  -3.703   5.502
    6    HD3  LYS  54           HD3      LYS  54  -3.603  -4.897   5.159
    7    HE2  LYS  54           HE2      LYS  54  -1.959  -6.169   3.820
    8    HE3  LYS  54           HE3      LYS  54  -0.705  -5.018   4.299
    9    HG2  LYS  54           HG2      LYS  54  -3.318  -4.460   2.757
   10    HG3  LYS  54           HG3      LYS  54  -2.124  -3.221   3.139
   11    HZ2  LYS  54           HZ1      LYS  54  -0.743  -7.041   5.669
   12    HZ1  LYS  54           HZ2      LYS  54  -2.318  -6.670   6.176
   13    HZ3  LYS  54           HZ3      LYS  54  -1.033  -5.641   6.589

  No H/Q in entry =          13
  In of MODEL    9
    1    H    LYS  55           H        LYS  55  -4.827   0.107   3.714
    2    HA   LYS  55           HA       LYS  55  -7.654   0.060   3.841
    3    HB2  LYS  55           HB2      LYS  55  -5.687   2.294   4.389
    4    HB3  LYS  55           HB3      LYS  55  -7.403   2.351   4.782
    5    HD2  LYS  55           HD2      LYS  55  -8.274   1.015   6.722
    6    HD3  LYS  55           HD3      LYS  55  -7.853  -0.390   5.741
    7    HE2  LYS  55           HE2      LYS  55  -6.411  -1.203   7.559
    8    HE3  LYS  55           HE3      LYS  55  -6.874   0.188   8.537
    9    HG2  LYS  55           HG2      LYS  55  -5.476   0.302   5.856
   10    HG3  LYS  55           HG3      LYS  55  -5.976   1.764   6.715
   11    HZ3  LYS  55           HZ1      LYS  55  -9.151  -0.578   8.527
   12    HZ2  LYS  55           HZ2      LYS  55  -8.139  -1.812   9.105
   13    HZ1  LYS  55           HZ3      LYS  55  -8.751  -1.882   7.523

  No H/Q in entry =          13
  In of MODEL    9
    1    H    LYS  56           H        LYS  56  -5.410   1.272   1.532
    2    HA   LYS  56           HA       LYS  56  -7.149   3.103   0.226
    3    HB2  LYS  56           HB2      LYS  56  -4.816   1.571  -0.930
    4    HB3  LYS  56           HB3      LYS  56  -5.587   2.973  -1.651
    5    HD2  LYS  56           HD2      LYS  56  -4.159   5.517   0.292
    6    HD3  LYS  56           HD3      LYS  56  -5.705   5.001  -0.375
    7    HE2  LYS  56           HE2      LYS  56  -6.364   4.098   1.782
    8    HE3  LYS  56           HE3      LYS  56  -4.789   4.514   2.454
    9    HG2  LYS  56           HG2      LYS  56  -4.045   2.932   0.936
   10    HG3  LYS  56           HG3      LYS  56  -3.473   3.554  -0.609
   11    HZ1  LYS  56           HZ1      LYS  56  -5.341   6.876   1.870
   12    HZ3  LYS  56           HZ2      LYS  56  -6.270   6.195   3.116
   13    HZ2  LYS  56           HZ3      LYS  56  -6.928   6.362   1.561

  No H/Q in entry =          13
  In of MODEL    9
    1    H    GLY  57           H        GLY  57  -6.306  -0.316  -0.336
    2    HA3  GLY  57           HA2      GLY  57  -8.692  -1.379  -0.809
    3    HA2  GLY  57           HA3      GLY  57  -8.440  -0.513  -2.315

  No H/Q in entry =           3
  In of MODEL    9
    1    H    LEU  58           H        LEU  58  -6.539  -2.678  -0.198
    2    HA   LEU  58           HA       LEU  58  -6.603  -4.802  -2.032
    3    HB2  LEU  58           HB2      LEU  58  -4.130  -4.863  -2.558
    4    HB3  LEU  58           HB3      LEU  58  -5.098  -3.707  -3.443
    5   HD11  LEU  58          HD11      LEU  58  -2.207  -4.147  -1.351
    6   HD13  LEU  58          HD12      LEU  58  -3.329  -3.570  -0.118
    7   HD12  LEU  58          HD13      LEU  58  -2.084  -2.493  -0.753
    8   HD21  LEU  58          HD21      LEU  58  -3.628  -1.993  -4.046
    9   HD23  LEU  58          HD22      LEU  58  -2.372  -3.183  -3.705
   10   HD22  LEU  58          HD23      LEU  58  -2.268  -1.567  -3.009
   11    HG   LEU  58           HG       LEU  58  -4.281  -1.996  -1.699

  No H/Q in entry =          11
  In of MODEL    9
    1    H    THR  59           H        THR  59  -5.661  -6.709  -1.224
    2    HA   THR  59           HA       THR  59  -5.277  -6.612   1.669
    3    HB   THR  59           HB       THR  59  -5.468  -9.155   0.076
    4    HG1  THR  59           HG1      THR  59  -7.403  -7.170   0.363
    5   HG22  THR  59          HG21      THR  59  -6.522  -8.336   2.792
    6   HG21  THR  59          HG22      THR  59  -5.053  -9.268   2.503
    7   HG23  THR  59          HG23      THR  59  -6.625  -9.947   2.083

  No H/Q in entry =           7
  In of MODEL    9
    1    H    ASP  60           H        ASP  60  -3.693  -8.584   2.386
    2    HA   ASP  60           HA       ASP  60  -1.144  -7.605   2.071
    3    HB2  ASP  60           HB2      ASP  60  -2.057 -10.367   2.852
    4    HB3  ASP  60           HB3      ASP  60  -0.363  -9.894   2.874

  No H/Q in entry =           4
  In of MODEL    9
    1    H    GLU  61           H        GLU  61  -2.558 -10.351   0.301
    2    HA   GLU  61           HA       GLU  61  -0.356 -11.110  -1.176
    3    HB2  GLU  61           HB2      GLU  61  -2.029 -11.844  -2.918
    4    HB3  GLU  61           HB3      GLU  61  -2.315 -12.440  -1.290
    5    HG2  GLU  61           HG2      GLU  61  -3.958 -10.561  -1.003
    6    HG3  GLU  61           HG3      GLU  61  -3.777 -10.244  -2.727

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLU  62           H        GLU  62  -2.580  -8.447  -1.818
    2    HA   GLU  62           HA       GLU  62  -1.311  -7.739  -4.288
    3    HB2  GLU  62           HB2      GLU  62  -3.557  -6.721  -2.670
    4    HB3  GLU  62           HB3      GLU  62  -2.710  -5.522  -3.634
    5    HG2  GLU  62           HG2      GLU  62  -4.627  -6.416  -4.815
    6    HG3  GLU  62           HG3      GLU  62  -3.122  -6.807  -5.643

  No H/Q in entry =           6
  In of MODEL    9
    1    H    ILE  63           H        ILE  63  -0.874  -6.907  -0.919
    2    HA   ILE  63           HA       ILE  63   0.530  -4.486  -1.435
    3    HB   ILE  63           HB       ILE  63   1.018  -4.288   0.804
    4   HD13  ILE  63          HD11      ILE  63   1.837  -6.902   3.343
    5   HD12  ILE  63          HD12      ILE  63   0.260  -6.129   3.201
    6   HD11  ILE  63          HD13      ILE  63   1.729  -5.161   3.089
    7   HG12  ILE  63          HG12      ILE  63   0.851  -7.288   1.157
    8   HG13  ILE  63          HG13      ILE  63   2.342  -6.358   1.046
    9   HG23  ILE  63          HG21      ILE  63  -0.926  -5.011   2.074
   10   HG22  ILE  63          HG22      ILE  63  -1.361  -6.129   0.782
   11   HG21  ILE  63          HG23      ILE  63  -1.382  -4.389   0.489

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ASP  64           H        ASP  64   1.566  -7.876  -0.981
    2    HA   ASP  64           HA       ASP  64   4.335  -7.223  -1.251
    3    HB2  ASP  64           HB2      ASP  64   3.497  -9.876  -2.256
    4    HB3  ASP  64           HB3      ASP  64   4.844  -9.444  -1.230

  No H/Q in entry =           4
  In of MODEL    9
    1    H    MET  65           H        MET  65   1.699  -7.791  -3.463
    2    HA   MET  65           HA       MET  65   3.245  -8.073  -5.805
    3    HB2  MET  65           HB2      MET  65   0.450  -7.071  -5.345
    4    HB3  MET  65           HB3      MET  65   1.161  -7.122  -6.949
    5    HE1  MET  65           HE1      MET  65   2.913 -10.923  -5.379
    6    HE3  MET  65           HE2      MET  65   3.689  -9.428  -5.905
    7    HE2  MET  65           HE3      MET  65   3.935 -10.918  -6.816
    8    HG2  MET  65           HG2      MET  65   0.821  -9.498  -5.133
    9    HG3  MET  65           HG3      MET  65  -0.262  -9.064  -6.452

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ALA  66           H        ALA  66   1.813  -5.162  -4.339
    2    HA   ALA  66           HA       ALA  66   2.895  -3.364  -6.257
    3    HB1  ALA  66           HB1      ALA  66   1.992  -2.819  -3.427
    4    HB3  ALA  66           HB2      ALA  66   0.963  -2.797  -4.859
    5    HB2  ALA  66           HB3      ALA  66   2.256  -1.609  -4.685

  No H/Q in entry =           5
  In of MODEL    9
    1    H    PHE  67           H        PHE  67   3.955  -4.483  -3.074
    2    HA   PHE  67           HA       PHE  67   6.272  -2.849  -2.985
    3    HB2  PHE  67           HB2      PHE  67   5.308  -5.206  -1.404
    4    HB3  PHE  67           HB3      PHE  67   6.967  -4.643  -1.206
    5    HD1  PHE  67           HD1      PHE  67   6.433  -1.637  -1.559
    6    HD2  PHE  67           HD2      PHE  67   4.448  -4.676   0.680
    7    HE1  PHE  67           HE1      PHE  67   5.597   0.052   0.019
    8    HE2  PHE  67           HE2      PHE  67   3.628  -2.997   2.256
    9    HZ   PHE  67           HZ       PHE  67   4.361  -0.471   1.832

  No H/Q in entry =           9
  In of MODEL    9
    1    H    GLN  68           H        GLN  68   5.591  -5.972  -4.357
    2    HA   GLN  68           HA       GLN  68   8.245  -6.796  -4.796
    3    HB2  GLN  68           HB2      GLN  68   6.480  -8.406  -5.043
    4    HB3  GLN  68           HB3      GLN  68   5.687  -7.433  -6.274
    5   HE21  GLN  68          HE21      GLN  68   9.422  -8.780  -8.381
    6   HE22  GLN  68          HE22      GLN  68  10.579  -9.335  -7.219
    7    HG2  GLN  68           HG2      GLN  68   6.810  -9.362  -7.237
    8    HG3  GLN  68           HG3      GLN  68   7.506  -7.852  -7.814

  No H/Q in entry =           8
  In of MODEL    9
    1    H    GLN  69           H        GLN  69   5.928  -5.071  -6.863
    2    HA   GLN  69           HA       GLN  69   7.626  -4.734  -9.084
    3    HB2  GLN  69           HB2      GLN  69   5.280  -3.074  -8.157
    4    HB3  GLN  69           HB3      GLN  69   6.057  -2.902  -9.725
    5   HE21  GLN  69          HE21      GLN  69   2.664  -5.765  -9.668
    6   HE22  GLN  69          HE22      GLN  69   1.752  -4.529 -10.462
    7    HG2  GLN  69           HG2      GLN  69   5.454  -5.213 -10.264
    8    HG3  GLN  69           HG3      GLN  69   4.648  -5.352  -8.700

  No H/Q in entry =           8
  In of MODEL    9
    1    H    SER  70           H        SER  70   7.123  -2.800  -6.184
    2    HA   SER  70           HA       SER  70   8.841  -0.684  -7.156
    3    HB2  SER  70           HB2      SER  70   8.478   0.261  -4.849
    4    HB3  SER  70           HB3      SER  70   7.004  -0.008  -5.779
    5    HG   SER  70           HG       SER  70   6.449  -1.629  -4.488

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLY  71           H        GLY  71   9.467  -3.681  -6.043
    2    HA3  GLY  71           HA2      GLY  71  11.386  -4.731  -5.370
    3    HA2  GLY  71           HA3      GLY  71  12.234  -3.240  -5.749

  No H/Q in entry =           3
  In of MODEL    9
    1    H    THR  72           H        THR  72   9.673  -3.692  -3.348
    2    HA   THR  72           HA       THR  72  11.655  -3.005  -1.280
    3    HB   THR  72           HB       THR  72   9.827  -1.704  -0.155
    4    HG1  THR  72           HG1      THR  72   8.559  -1.707  -2.700
    5   HG23  THR  72          HG21      THR  72  11.594  -0.590  -1.407
    6   HG22  THR  72          HG22      THR  72  10.060   0.250  -1.625
    7   HG21  THR  72          HG23      THR  72  10.677  -0.798  -2.902

  No H/Q in entry =           7
  In of MODEL    9
    1    H    ALA  73           H        ALA  73  10.185  -5.533  -2.214
    2    HA   ALA  73           HA       ALA  73   8.743  -6.370   0.125
    3    HB1  ALA  73           HB1      ALA  73   9.913  -8.033  -2.113
    4    HB2  ALA  73           HB2      ALA  73   8.294  -7.335  -2.098
    5    HB3  ALA  73           HB3      ALA  73   8.728  -8.572  -0.920

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ALA  74           H        ALA  74  10.448  -5.602   1.569
    2    HA   ALA  74           HA       ALA  74  13.080  -6.409   1.612
    3    HB1  ALA  74           HB1      ALA  74  12.147  -4.587   2.957
    4    HB3  ALA  74           HB2      ALA  74  13.129  -5.694   3.917
    5    HB2  ALA  74           HB3      ALA  74  11.370  -5.774   4.005

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ASP  75           H        ASP  75  10.725  -7.687   3.978
    2    HA   ASP  75           HA       ASP  75  12.124 -10.268   3.778
    3    HB2  ASP  75           HB2      ASP  75  12.928  -8.996   5.743
    4    HB3  ASP  75           HB3      ASP  75  11.278  -8.902   6.342

  No H/Q in entry =           4
  In of MODEL    9
    1    H    GLU  76           H        GLU  76   9.435  -9.065   5.771
    2    HA   GLU  76           HA       GLU  76   7.647 -10.879   4.333
    3    HB2  GLU  76           HB2      GLU  76   7.816 -10.416   7.314
    4    HB3  GLU  76           HB3      GLU  76   6.363 -11.040   6.547
    5    HG2  GLU  76           HG2      GLU  76   7.742 -12.911   5.643
    6    HG3  GLU  76           HG3      GLU  76   9.079 -12.318   6.628

  No H/Q in entry =           6
  In of MODEL    9
    1    HA   PRO  77           HA       PRO  77   5.885  -6.622   3.974
    2    HB2  PRO  77           HB2      PRO  77   4.686  -8.022   1.643
    3    HB3  PRO  77           HB3      PRO  77   5.440  -6.424   1.725
    4    HD2  PRO  77           HD2      PRO  77   6.753 -10.055   2.258
    5    HD3  PRO  77           HD3      PRO  77   8.255  -9.188   2.637
    6    HG2  PRO  77           HG2      PRO  77   6.694  -8.477   0.564
    7    HG3  PRO  77           HG3      PRO  77   7.582  -7.278   1.521

  No H/Q in entry =           7
  In of MODEL    9
    1    H    SER  78           H        SER  78   4.770  -9.899   3.851
    2    HA   SER  78           HA       SER  78   1.991  -9.397   4.190
    3    HB2  SER  78           HB2      SER  78   3.505 -11.883   5.020
    4    HB3  SER  78           HB3      SER  78   1.803 -11.760   4.574
    5    HG   SER  78           HG       SER  78   2.871 -10.859   2.486

  No H/Q in entry =           5
  In of MODEL    9
    1    H    SER  79           H        SER  79   0.995  -8.669   5.967
    2    HA   SER  79           HA       SER  79   2.700  -8.092   8.240
    3    HB2  SER  79           HB2      SER  79  -0.185  -7.306   7.846
    4    HB3  SER  79           HB3      SER  79   1.010  -6.541   8.898
    5    HG   SER  79           HG       SER  79   1.930  -6.633   6.371

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LEU  80           H        LEU  80  -0.171 -10.032   7.567
    2    HA   LEU  80           HA       LEU  80  -0.069 -10.979  10.351
    3    HB2  LEU  80           HB2      LEU  80  -2.425 -10.584   8.528
    4    HB3  LEU  80           HB3      LEU  80  -2.510 -11.648   9.915
    5   HD11  LEU  80          HD11      LEU  80  -1.064  -8.204   9.450
    6   HD13  LEU  80          HD12      LEU  80  -2.360  -7.435  10.368
    7   HD12  LEU  80          HD13      LEU  80  -2.707  -8.186   8.810
    8   HD22  LEU  80          HD21      LEU  80  -4.033 -10.561  11.372
    9   HD21  LEU  80          HD22      LEU  80  -4.479  -9.654   9.928
   10   HD23  LEU  80          HD23      LEU  80  -4.111  -8.798  11.425
   11    HG   LEU  80           HG       LEU  80  -1.801  -9.610  11.308

  No H/Q in entry =          11
  In of MODEL    9
    1    H    TRP  81           H        TRP  81  -0.398 -13.164  10.745
    2    HA   TRP  81           HA       TRP  81   0.145 -14.890   8.425
    3    HB2  TRP  81           HB2      TRP  81   0.866 -15.348  11.329
    4    HB3  TRP  81           HB3      TRP  81   1.260 -16.418   9.988
    5    HD1  TRP  81           HD1      TRP  81   3.206 -15.607   8.303
    6    HE1  TRP  81           HE1      TRP  81   5.142 -13.927   8.610
    7    HE3  TRP  81           HE3      TRP  81   1.497 -13.164  12.456
    8    HH2  TRP  81           HH2      TRP  81   4.975 -10.689  12.369
    9    HZ2  TRP  81           HZ2      TRP  81   5.829 -11.842  10.377
   10    HZ3  TRP  81           HZ3      TRP  81   2.853 -11.336  13.389

  No H/Q in entry =          10
  In of MODEL    9
    1    H1   SER 101           H2       SER 101   0.762  18.893   5.286
    2    H2   SER 101           H1       SER 101   2.281  19.385   5.844
    3    H3   SER 101           H3       SER 101   1.147  20.542   5.354
    4    HA   SER 101           HA       SER 101   1.245  19.749   3.103
    5    HB2  SER 101           HB2      SER 101   3.990  20.312   4.253
    6    HB3  SER 101           HB3      SER 101   3.482  20.581   2.583
    7    HG   SER 101           HG       SER 101   3.370  22.514   3.801

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLN 102           H        GLN 102   2.919  17.749   5.413
    2    HA   GLN 102           HA       GLN 102   3.941  15.969   3.369
    3    HB2  GLN 102           HB2      GLN 102   5.311  16.207   5.309
    4    HB3  GLN 102           HB3      GLN 102   3.965  15.856   6.385
    5   HE21  GLN 102          HE21      GLN 102   5.157  12.067   6.773
    6   HE22  GLN 102          HE22      GLN 102   6.665  12.430   7.544
    7    HG2  GLN 102           HG2      GLN 102   3.936  13.572   5.736
    8    HG3  GLN 102           HG3      GLN 102   5.066  13.870   4.418

  No H/Q in entry =           8
  In of MODEL    9
    1    H    GLU 103           H        GLU 103   1.183  16.168   5.505
    2    HA   GLU 103           HA       GLU 103   0.401  13.460   5.374
    3    HB2  GLU 103           HB2      GLU 103  -1.221  15.951   5.891
    4    HB3  GLU 103           HB3      GLU 103  -1.827  14.313   6.104
    5    HG2  GLU 103           HG2      GLU 103  -0.232  13.878   7.831
    6    HG3  GLU 103           HG3      GLU 103   0.578  15.416   7.533

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LYS 104           H        LYS 104  -0.233  16.213   3.277
    2    HA   LYS 104           HA       LYS 104  -2.255  14.944   1.742
    3    HB2  LYS 104           HB2      LYS 104  -1.949  16.737   0.128
    4    HB3  LYS 104           HB3      LYS 104  -1.973  17.386   1.759
    5    HD2  LYS 104           HD2      LYS 104  -1.004  19.413   0.770
    6    HD3  LYS 104           HD3      LYS 104   0.673  19.399   0.231
    7    HE2  LYS 104           HE2      LYS 104  -0.497  19.761  -1.738
    8    HE3  LYS 104           HE3      LYS 104  -0.219  18.023  -1.766
    9    HG2  LYS 104           HG2      LYS 104   0.446  17.588   1.734
   10    HG3  LYS 104           HG3      LYS 104   0.498  16.883   0.120
   11    HZ3  LYS 104           HZ1      LYS 104  -2.461  18.422  -2.384
   12    HZ2  LYS 104           HZ2      LYS 104  -2.733  19.429  -1.048
   13    HZ1  LYS 104           HZ3      LYS 104  -2.497  17.772  -0.820

  No H/Q in entry =          13
  In of MODEL    9
    1    H    PHE 105           H        PHE 105   1.139  14.571   1.835
    2    HA   PHE 105           HA       PHE 105   1.539  13.690  -0.854
    3    HB2  PHE 105           HB2      PHE 105   3.378  14.507   0.584
    4    HB3  PHE 105           HB3      PHE 105   3.160  13.119   1.641
    5    HD1  PHE 105           HD1      PHE 105   4.061  14.088  -1.820
    6    HD2  PHE 105           HD2      PHE 105   4.267  11.116   1.219
    7    HE1  PHE 105           HE1      PHE 105   5.672  12.819  -3.178
    8    HE2  PHE 105           HE2      PHE 105   5.874   9.838  -0.134
    9    HZ   PHE 105           HZ       PHE 105   6.582  10.689  -2.336

  No H/Q in entry =           9
  In of MODEL    9
    1    H    PHE 106           H        PHE 106   0.648  12.125   2.166
    2    HA   PHE 106           HA       PHE 106   0.821   9.484   1.045
    3    HB2  PHE 106           HB2      PHE 106   0.014  10.624   3.674
    4    HB3  PHE 106           HB3      PHE 106  -0.623   9.039   3.247
    5    HD1  PHE 106           HD1      PHE 106   2.182  10.873   4.479
    6    HD2  PHE 106           HD2      PHE 106   1.037   7.200   2.669
    7    HE1  PHE 106           HE1      PHE 106   4.302   9.871   5.193
    8    HE2  PHE 106           HE2      PHE 106   3.160   6.184   3.386
    9    HZ   PHE 106           HZ       PHE 106   4.723   7.432   4.730

  No H/Q in entry =           9
  In of MODEL    9
    1    H    GLN 107           H        GLN 107  -1.712  11.893   1.447
    2    HA   GLN 107           HA       GLN 107  -3.737   9.912   0.768
    3    HB2  GLN 107           HB2      GLN 107  -5.375  11.715   1.191
    4    HB3  GLN 107           HB3      GLN 107  -4.316  11.418   2.561
    5   HE21  GLN 107          HE21      GLN 107  -4.609  15.687   1.215
    6   HE22  GLN 107          HE22      GLN 107  -5.784  15.933   2.459
    7    HG2  GLN 107           HG2      GLN 107  -3.029  13.388   2.057
    8    HG3  GLN 107           HG3      GLN 107  -3.949  13.652   0.577

  No H/Q in entry =           8
  In of MODEL    9
    1    H    GLU 108           H        GLU 108  -2.474  12.954  -0.607
    2    HA   GLU 108           HA       GLU 108  -4.451  12.893  -2.694
    3    HB2  GLU 108           HB2      GLU 108  -3.583  14.977  -1.622
    4    HB3  GLU 108           HB3      GLU 108  -2.054  14.702  -2.441
    5    HG2  GLU 108           HG2      GLU 108  -2.954  15.136  -4.535
    6    HG3  GLU 108           HG3      GLU 108  -4.611  14.886  -3.980

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LEU 109           H        LEU 109  -1.111  11.936  -2.367
    2    HA   LEU 109           HA       LEU 109  -0.556  11.761  -5.151
    3    HB2  LEU 109           HB2      LEU 109   1.188  11.853  -3.383
    4    HB3  LEU 109           HB3      LEU 109   0.724  10.241  -2.875
    5   HD13  LEU 109          HD11      LEU 109   1.047  11.367  -6.416
    6   HD12  LEU 109          HD12      LEU 109   2.707  10.797  -6.591
    7   HD11  LEU 109          HD13      LEU 109   2.355  12.188  -5.566
    8   HD22  LEU 109          HD21      LEU 109   3.808   9.576  -4.733
    9   HD21  LEU 109          HD22      LEU 109   2.967   9.359  -3.196
   10   HD23  LEU 109          HD23      LEU 109   3.543  10.957  -3.669
   11    HG   LEU 109           HG       LEU 109   1.408   9.366  -5.084

  No H/Q in entry =          11
  In of MODEL    9
    1    H    PHE 110           H        PHE 110  -2.380   9.855  -2.983
    2    HA   PHE 110           HA       PHE 110  -2.236   7.509  -4.716
    3    HB2  PHE 110           HB2      PHE 110  -2.232   7.589  -2.039
    4    HB3  PHE 110           HB3      PHE 110  -3.972   7.507  -2.304
    5    HD1  PHE 110           HD1      PHE 110  -4.971   5.558  -3.426
    6    HD2  PHE 110           HD2      PHE 110  -0.824   5.724  -2.498
    7    HE1  PHE 110           HE1      PHE 110  -4.796   3.131  -3.783
    8    HE2  PHE 110           HE2      PHE 110  -0.646   3.298  -2.845
    9    HZ   PHE 110           HZ       PHE 110  -2.632   2.000  -3.491

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ASP 111           H        ASP 111  -4.018  10.288  -4.474
    2    HA   ASP 111           HA       ASP 111  -6.661   9.406  -4.943
    3    HB2  ASP 111           HB2      ASP 111  -6.183  11.723  -4.325
    4    HB3  ASP 111           HB3      ASP 111  -5.275  11.956  -5.816

  No H/Q in entry =           4
  In of MODEL    9
    1    H    SER 112           H        SER 112  -4.125  10.468  -7.160
    2    HA   SER 112           HA       SER 112  -5.220   8.721  -9.224
    3    HB2  SER 112           HB2      SER 112  -4.445  11.619  -9.663
    4    HB3  SER 112           HB3      SER 112  -4.920  10.485 -10.927
    5    HG   SER 112           HG       SER 112  -6.537  11.364  -8.745

  No H/Q in entry =           5
  In of MODEL   10
    1    H1   GLY  12           H1       GLY  12 -11.373 -16.773  -0.327
    2    H2   GLY  12           H3       GLY  12 -12.596 -17.909  -0.029
    3    H3   GLY  12           H2       GLY  12 -11.891 -17.805  -1.572
    4    HA2  GLY  12           HA2      GLY  12 -14.070 -16.772  -1.554
    5    HA3  GLY  12           HA3      GLY  12 -12.801 -15.601  -1.879

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ALA  13           H        ALA  13 -14.854 -16.912   0.702
    2    HA   ALA  13           HA       ALA  13 -14.399 -14.524   2.306
    3    HB3  ALA  13           HB1      ALA  13 -16.754 -13.907   2.377
    4    HB1  ALA  13           HB2      ALA  13 -17.140 -15.197   1.238
    5    HB2  ALA  13           HB3      ALA  13 -16.140 -13.839   0.726

  No H/Q in entry =           5
  In of MODEL   10
    1    H    MET  14           H        MET  14 -15.779 -14.614   4.331
    2    HA   MET  14           HA       MET  14 -15.437 -17.144   5.615
    3    HB2  MET  14           HB2      MET  14 -16.873 -14.641   6.536
    4    HB3  MET  14           HB3      MET  14 -16.475 -16.013   7.559
    5    HE2  MET  14           HE1      MET  14 -15.796 -13.450  10.338
    6    HE1  MET  14           HE2      MET  14 -15.088 -15.006   9.897
    7    HE3  MET  14           HE3      MET  14 -16.672 -14.547   9.272
    8    HG2  MET  14           HG2      MET  14 -14.181 -15.583   7.442
    9    HG3  MET  14           HG3      MET  14 -14.371 -14.490   6.071

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ALA  15           H        ALA  15 -18.141 -15.282   4.417
    2    HA   ALA  15           HA       ALA  15 -19.714 -17.582   3.838
    3    HB1  ALA  15           HB1      ALA  15 -20.224 -17.440   6.236
    4    HB2  ALA  15           HB2      ALA  15 -21.638 -17.028   5.267
    5    HB3  ALA  15           HB3      ALA  15 -20.698 -15.752   6.041

  No H/Q in entry =           5
  In of MODEL   10
    1    H    THR  16           H        THR  16 -20.124 -14.185   4.716
    2    HA   THR  16           HA       THR  16 -21.083 -13.601   2.006
    3    HB   THR  16           HB       THR  16 -21.659 -11.341   3.090
    4    HG1  THR  16           HG1      THR  16 -20.666 -11.311   5.027
    5   HG22  THR  16          HG21      THR  16 -23.073 -13.818   4.090
    6   HG21  THR  16          HG22      THR  16 -23.369 -13.011   2.551
    7   HG23  THR  16          HG23      THR  16 -23.746 -12.188   4.063

  No H/Q in entry =           7
  In of MODEL   10
    1    HA   PRO  17           HA       PRO  17 -17.177 -11.725   1.063
    2    HB2  PRO  17           HB2      PRO  17 -18.639  -9.687  -0.489
    3    HB3  PRO  17           HB3      PRO  17 -17.467 -10.890  -1.036
    4    HD2  PRO  17           HD2      PRO  17 -21.012 -11.132   0.511
    5    HD3  PRO  17           HD3      PRO  17 -20.740 -12.873   0.291
    6    HG2  PRO  17           HG2      PRO  17 -20.077 -11.115  -1.613
    7    HG3  PRO  17           HG3      PRO  17 -19.069 -12.537  -1.283

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLY  18           H        GLY  18 -16.746 -10.900   3.173
    2    HA3  GLY  18           HA2      GLY  18 -17.824  -8.349   3.983
    3    HA2  GLY  18           HA3      GLY  18 -16.640  -9.310   4.857

  No H/Q in entry =           3
  In of MODEL   10
    1    H    SER  19           H        SER  19 -16.694  -7.803   1.642
    2    HA   SER  19           HA       SER  19 -14.048  -6.693   2.189
    3    HB2  SER  19           HB2      SER  19 -14.345  -7.952   0.083
    4    HB3  SER  19           HB3      SER  19 -15.579  -6.799  -0.425
    5    HG   SER  19           HG       SER  19 -13.201  -6.542  -1.081

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLU  20           H        GLU  20 -14.572  -5.064   3.530
    2    HA   GLU  20           HA       GLU  20 -16.593  -3.203   3.392
    3    HB2  GLU  20           HB2      GLU  20 -13.776  -2.590   4.265
    4    HB3  GLU  20           HB3      GLU  20 -15.263  -1.893   4.879
    5    HG2  GLU  20           HG2      GLU  20 -15.880  -4.106   5.760
    6    HG3  GLU  20           HG3      GLU  20 -14.317  -4.689   5.195

  No H/Q in entry =           6
  In of MODEL   10
    1    H    ASN  21           H        ASN  21 -13.312  -2.878   2.119
    2    HA   ASN  21           HA       ASN  21 -14.190  -1.627  -0.286
    3    HB2  ASN  21           HB2      ASN  21 -14.208   0.283   1.434
    4    HB3  ASN  21           HB3      ASN  21 -12.461   0.093   1.513
    5   HD21  ASN  21          HD21      ASN  21 -11.202   0.717  -0.244
    6   HD22  ASN  21          HD22      ASN  21 -11.820   1.710  -1.518

  No H/Q in entry =           6
  In of MODEL   10
    1    H    VAL  22           H        VAL  22 -12.940  -3.929   0.058
    2    HA   VAL  22           HA       VAL  22 -10.080  -3.392  -0.415
    3    HB   VAL  22           HB       VAL  22 -11.178  -5.953   0.756
    4   HG11  VAL  22          HG11      VAL  22  -8.393  -4.793   0.668
    5   HG13  VAL  22          HG12      VAL  22  -8.995  -6.142  -0.298
    6   HG12  VAL  22          HG13      VAL  22  -8.854  -6.303   1.454
    7   HG22  VAL  22          HG21      VAL  22 -10.452  -5.173   2.950
    8   HG21  VAL  22          HG22      VAL  22 -11.700  -4.116   2.289
    9   HG23  VAL  22          HG23      VAL  22 -10.009  -3.611   2.262

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LEU  23           H        LEU  23 -11.391  -3.175  -2.591
    2    HA   LEU  23           HA       LEU  23 -11.508  -5.776  -3.931
    3    HB2  LEU  23           HB2      LEU  23 -13.324  -3.890  -4.100
    4    HB3  LEU  23           HB3      LEU  23 -12.203  -3.158  -5.228
    5   HD13  LEU  23          HD11      LEU  23 -12.581  -5.677  -7.886
    6   HD12  LEU  23          HD12      LEU  23 -11.239  -5.593  -6.746
    7   HD11  LEU  23          HD13      LEU  23 -11.870  -4.115  -7.475
    8   HD22  LEU  23          HD21      LEU  23 -14.277  -6.201  -4.651
    9   HD21  LEU  23          HD22      LEU  23 -12.662  -6.817  -5.002
   10   HD23  LEU  23          HD23      LEU  23 -13.927  -6.912  -6.227
   11    HG   LEU  23           HG       LEU  23 -14.002  -4.466  -6.327

  No H/Q in entry =          11
  In of MODEL   10
    1    HA   PRO  24           HA       PRO  24  -7.271  -4.717  -5.134
    2    HB2  PRO  24           HB2      PRO  24  -6.854  -7.091  -6.449
    3    HB3  PRO  24           HB3      PRO  24  -6.633  -6.871  -4.710
    4    HD2  PRO  24           HD2      PRO  24 -10.501  -7.181  -4.686
    5    HD3  PRO  24           HD3      PRO  24  -9.282  -6.980  -3.409
    6    HG2  PRO  24           HG2      PRO  24  -8.963  -8.018  -6.197
    7    HG3  PRO  24           HG3      PRO  24  -8.206  -8.580  -4.694

  No H/Q in entry =           7
  In of MODEL   10
    1    H    ARG  25           H        ARG  25  -7.856  -3.095  -6.578
    2    HA   ARG  25           HA       ARG  25  -8.889  -3.807  -9.199
    3    HB2  ARG  25           HB2      ARG  25  -8.236  -1.114  -7.982
    4    HB3  ARG  25           HB3      ARG  25  -9.020  -1.361  -9.537
    5    HD2  ARG  25           HD2      ARG  25 -10.028   0.038  -6.789
    6    HD3  ARG  25           HD3      ARG  25 -10.758   0.206  -8.385
    7    HE   ARG  25           HE       ARG  25 -12.697  -1.090  -7.229
    8    HG2  ARG  25           HG2      ARG  25 -10.965  -2.247  -8.520
    9    HG3  ARG  25           HG3      ARG  25 -10.166  -2.384  -6.953
   10   HH11  ARG  25          HH11      ARG  25 -10.683   1.375  -5.743
   11   HH12  ARG  25          HH12      ARG  25 -11.928   1.914  -4.661
   12   HH21  ARG  25          HH21      ARG  25 -14.321  -0.378  -5.790
   13   HH22  ARG  25          HH22      ARG  25 -13.987   0.937  -4.700

  No H/Q in entry =          13
  In of MODEL   10
    1    H    GLU  26           H        GLU  26  -7.834  -3.372 -11.148
    2    HA   GLU  26           HA       GLU  26  -5.070  -3.891 -11.189
    3    HB2  GLU  26           HB2      GLU  26  -6.578  -4.480 -13.031
    4    HB3  GLU  26           HB3      GLU  26  -6.840  -2.778 -13.372
    5    HG2  GLU  26           HG2      GLU  26  -5.309  -3.639 -14.976
    6    HG3  GLU  26           HG3      GLU  26  -4.429  -2.561 -13.897

  No H/Q in entry =           6
  In of MODEL   10
    1    HA   PRO  27           HA       PRO  27  -4.443   0.821 -12.304
    2    HB2  PRO  27           HB2      PRO  27  -6.451   2.482 -11.436
    3    HB3  PRO  27           HB3      PRO  27  -6.296   1.897 -13.095
    4    HD2  PRO  27           HD2      PRO  27  -7.855  -1.296 -11.521
    5    HD3  PRO  27           HD3      PRO  27  -7.374  -0.876 -13.178
    6    HG2  PRO  27           HG2      PRO  27  -8.031   0.918 -10.881
    7    HG3  PRO  27           HG3      PRO  27  -8.413   1.105 -12.601

  No H/Q in entry =           7
  In of MODEL   10
    1    H    LEU  28           H        LEU  28  -6.006  -0.408  -9.483
    2    HA   LEU  28           HA       LEU  28  -5.173   1.575  -7.629
    3    HB2  LEU  28           HB2      LEU  28  -7.007  -0.048  -7.222
    4    HB3  LEU  28           HB3      LEU  28  -5.822  -1.336  -7.147
    5   HD12  LEU  28          HD11      LEU  28  -7.182   1.599  -5.356
    6   HD11  LEU  28          HD12      LEU  28  -5.496   2.046  -5.613
    7   HD13  LEU  28          HD13      LEU  28  -6.035   1.524  -4.018
    8   HD23  LEU  28          HD21      LEU  28  -7.755  -0.844  -4.929
    9   HD22  LEU  28          HD22      LEU  28  -6.586  -0.857  -3.608
   10   HD21  LEU  28          HD23      LEU  28  -6.454  -2.034  -4.915
   11    HG   LEU  28           HG       LEU  28  -4.807  -0.249  -5.161

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ILE  29           H        ILE  29  -3.869  -1.584  -8.586
    2    HA   ILE  29           HA       ILE  29  -1.584  -1.518  -6.934
    3    HB   ILE  29           HB       ILE  29  -1.951  -2.940  -9.580
    4   HD13  ILE  29          HD11      ILE  29  -1.379  -4.334  -6.124
    5   HD12  ILE  29          HD12      ILE  29  -3.087  -4.684  -5.860
    6   HD11  ILE  29          HD13      ILE  29  -2.520  -3.014  -5.864
    7   HG12  ILE  29          HG12      ILE  29  -3.654  -3.590  -7.945
    8   HG13  ILE  29          HG13      ILE  29  -2.514  -4.905  -8.205
    9   HG22  ILE  29          HG21      ILE  29  -0.169  -4.439  -8.786
   10   HG21  ILE  29          HG22      ILE  29   0.054  -3.407  -7.375
   11   HG23  ILE  29          HG23      ILE  29   0.397  -2.780  -8.987

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ALA  30           H        ALA  30  -2.162  -0.467 -10.258
    2    HA   ALA  30           HA       ALA  30   0.438   0.304 -10.927
    3    HB2  ALA  30           HB1      ALA  30  -2.158   1.527 -11.863
    4    HB1  ALA  30           HB2      ALA  30  -1.370   0.113 -12.562
    5    HB3  ALA  30           HB3      ALA  30  -0.588   1.691 -12.654

  No H/Q in entry =           5
  In of MODEL   10
    1    H    THR  31           H        THR  31  -2.156   2.137  -9.357
    2    HA   THR  31           HA       THR  31  -0.723   4.578  -9.184
    3    HB   THR  31           HB       THR  31  -2.964   3.638  -7.382
    4    HG1  THR  31           HG1      THR  31  -3.624   3.575  -9.562
    5   HG22  THR  31          HG21      THR  31  -2.011   6.413  -8.099
    6   HG21  THR  31          HG22      THR  31  -1.757   5.607  -6.552
    7   HG23  THR  31          HG23      THR  31  -3.390   6.028  -7.070

  No H/Q in entry =           7
  In of MODEL   10
    1    H    ALA  32           H        ALA  32  -1.013   1.768  -7.068
    2    HA   ALA  32           HA       ALA  32   0.224   2.857  -4.802
    3    HB1  ALA  32           HB1      ALA  32  -1.021   0.746  -4.765
    4    HB2  ALA  32           HB2      ALA  32   0.597   0.568  -4.083
    5    HB3  ALA  32           HB3      ALA  32   0.256  -0.017  -5.712

  No H/Q in entry =           5
  In of MODEL   10
    1    H    VAL  33           H        VAL  33   1.578   1.222  -7.638
    2    HA   VAL  33           HA       VAL  33   4.262   1.217  -6.745
    3    HB   VAL  33           HB       VAL  33   3.211   1.297  -9.588
    4   HG13  VAL  33          HG11      VAL  33   5.554   1.937  -9.499
    5   HG12  VAL  33          HG12      VAL  33   5.383   0.329 -10.204
    6   HG11  VAL  33          HG13      VAL  33   5.923   0.507  -8.536
    7   HG21  VAL  33          HG21      VAL  33   2.360  -0.608  -8.311
    8   HG23  VAL  33          HG22      VAL  33   4.010  -1.050  -7.873
    9   HG22  VAL  33          HG23      VAL  33   3.497  -1.126  -9.558

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LYS  34           H        LYS  34   2.405   3.531  -8.700
    2    HA   LYS  34           HA       LYS  34   4.372   5.449  -9.146
    3    HB2  LYS  34           HB2      LYS  34   2.283   5.688 -10.264
    4    HB3  LYS  34           HB3      LYS  34   1.387   5.669  -8.754
    5    HD2  LYS  34           HD2      LYS  34   0.586   7.762  -7.959
    6    HD3  LYS  34           HD3      LYS  34   2.117   7.725  -7.084
    7    HE2  LYS  34           HE2      LYS  34   1.092   9.988  -8.796
    8    HE3  LYS  34           HE3      LYS  34   1.140   9.949  -7.033
    9    HG2  LYS  34           HG2      LYS  34   3.327   7.882  -9.226
   10    HG3  LYS  34           HG3      LYS  34   1.790   7.898 -10.090
   11    HZ1  LYS  34           HZ1      LYS  34   3.588   9.733  -7.209
   12    HZ3  LYS  34           HZ2      LYS  34   2.994  11.197  -7.812
   13    HZ2  LYS  34           HZ3      LYS  34   3.463   9.974  -8.878

  No H/Q in entry =          13
  In of MODEL   10
    1    H    PHE  35           H        PHE  35   2.178   5.042  -6.423
    2    HA   PHE  35           HA       PHE  35   2.986   7.237  -4.885
    3    HB2  PHE  35           HB2      PHE  35   0.956   5.876  -4.495
    4    HB3  PHE  35           HB3      PHE  35   1.979   4.555  -3.943
    5    HD1  PHE  35           HD1      PHE  35   1.042   8.059  -3.227
    6    HD2  PHE  35           HD2      PHE  35   2.692   4.435  -1.740
    7    HE1  PHE  35           HE1      PHE  35   0.996   8.974  -0.971
    8    HE2  PHE  35           HE2      PHE  35   2.656   5.346   0.535
    9    HZ   PHE  35           HZ       PHE  35   1.807   7.623   0.937

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LEU  36           H        LEU  36   3.943   3.839  -4.657
    2    HA   LEU  36           HA       LEU  36   5.726   3.959  -2.566
    3    HB2  LEU  36           HB2      LEU  36   5.398   2.174  -4.927
    4    HB3  LEU  36           HB3      LEU  36   6.839   1.992  -3.950
    5   HD11  LEU  36          HD11      LEU  36   4.194   3.000  -1.800
    6   HD13  LEU  36          HD12      LEU  36   3.345   1.461  -1.655
    7   HD12  LEU  36          HD13      LEU  36   3.162   2.435  -3.113
    8   HD22  LEU  36          HD21      LEU  36   4.025  -0.468  -3.011
    9   HD21  LEU  36          HD22      LEU  36   5.419  -0.365  -4.085
   10   HD23  LEU  36          HD23      LEU  36   3.916   0.453  -4.512
   11    HG   LEU  36           HG       LEU  36   5.698   1.102  -2.170

  No H/Q in entry =          11
  In of MODEL   10
    1    H    GLN  37           H        GLN  37   6.354   4.563  -5.989
    2    HA   GLN  37           HA       GLN  37   9.188   4.877  -5.412
    3    HB2  GLN  37           HB2      GLN  37   7.653   4.761  -7.997
    4    HB3  GLN  37           HB3      GLN  37   9.384   5.075  -7.910
    5   HE21  GLN  37          HE21      GLN  37   8.267   0.734  -7.913
    6   HE22  GLN  37          HE22      GLN  37   8.597   0.699  -9.613
    7    HG2  GLN  37           HG2      GLN  37   9.768   2.956  -6.846
    8    HG3  GLN  37           HG3      GLN  37   8.034   2.643  -6.768

  No H/Q in entry =           8
  In of MODEL   10
    1    H    ASN  38           H        ASN  38   7.400   6.815  -4.351
    2    HA   ASN  38           HA       ASN  38   8.199   9.269  -5.693
    3    HB2  ASN  38           HB2      ASN  38   6.034   9.163  -4.500
    4    HB3  ASN  38           HB3      ASN  38   6.873   8.807  -2.997
    5   HD21  ASN  38          HD21      ASN  38   6.088  11.239  -5.346
    6   HD22  ASN  38          HD22      ASN  38   6.560  12.608  -4.387

  No H/Q in entry =           6
  In of MODEL   10
    1    H    SER  39           H        SER  39   9.819   6.993  -4.229
    2    HA   SER  39           HA       SER  39  11.916   6.820  -3.397
    3    HB2  SER  39           HB2      SER  39  12.565   8.823  -4.644
    4    HB3  SER  39           HB3      SER  39  11.916   9.849  -3.370
    5    HG   SER  39           HG       SER  39  14.341   8.719  -3.565

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ARG  40           H        ARG  40  10.327   9.562  -1.757
    2    HA   ARG  40           HA       ARG  40  11.381   8.871   0.786
    3    HB2  ARG  40           HB2      ARG  40   9.167  10.729  -0.054
    4    HB3  ARG  40           HB3      ARG  40   9.657  10.532   1.622
    5    HD2  ARG  40           HD2      ARG  40   9.854  13.224   0.161
    6    HD3  ARG  40           HD3      ARG  40  10.234  12.824   1.837
    7    HE   ARG  40           HE       ARG  40  12.462  13.693   0.179
    8    HG2  ARG  40           HG2      ARG  40  11.948  11.223   0.983
    9    HG3  ARG  40           HG3      ARG  40  11.351  11.539  -0.648
   10   HH11  ARG  40          HH11      ARG  40  10.010  14.548   2.520
   11   HH12  ARG  40          HH12      ARG  40  10.829  15.979   3.066
   12   HH21  ARG  40          HH21      ARG  40  13.555  15.590   0.882
   13   HH22  ARG  40          HH22      ARG  40  12.823  16.591   2.104

  No H/Q in entry =          13
  In of MODEL   10
    1    H    VAL  41           H        VAL  41   8.712   7.646  -0.967
    2    HA   VAL  41           HA       VAL  41   7.081   6.922   1.243
    3    HB   VAL  41           HB       VAL  41   7.178   5.696  -1.528
    4   HG11  VAL  41          HG11      VAL  41   5.159   5.423   0.707
    5   HG13  VAL  41          HG12      VAL  41   6.158   4.141   0.018
    6   HG12  VAL  41          HG13      VAL  41   4.892   4.894  -0.953
    7   HG22  VAL  41          HG21      VAL  41   6.612   8.064  -1.536
    8   HG21  VAL  41          HG22      VAL  41   5.379   7.789  -0.303
    9   HG23  VAL  41          HG23      VAL  41   5.191   7.087  -1.910

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ARG  42           H        ARG  42   9.783   5.408  -0.362
    2    HA   ARG  42           HA       ARG  42   9.509   2.883   0.960
    3    HB2  ARG  42           HB2      ARG  42  11.842   4.157  -0.473
    4    HB3  ARG  42           HB3      ARG  42  11.849   2.513   0.157
    5    HD2  ARG  42           HD2      ARG  42  11.126   1.967  -3.385
    6    HD3  ARG  42           HD3      ARG  42  12.224   3.223  -2.820
    7    HE   ARG  42           HE       ARG  42  12.442   1.120  -1.029
    8    HG2  ARG  42           HG2      ARG  42   9.949   1.969  -1.298
    9    HG3  ARG  42           HG3      ARG  42  10.009   3.605  -1.954
   10   HH11  ARG  42          HH11      ARG  42  13.051   1.695  -4.429
   11   HH12  ARG  42          HH12      ARG  42  14.275   0.462  -4.549
   12   HH21  ARG  42          HH21      ARG  42  14.047  -0.508  -1.185
   13   HH22  ARG  42          HH22      ARG  42  14.809  -0.826  -2.713

  No H/Q in entry =          13
  In of MODEL   10
    1    H    GLN  43           H        GLN  43  11.176   5.906   1.562
    2    HA   GLN  43           HA       GLN  43  12.636   4.952   3.843
    3    HB2  GLN  43           HB2      GLN  43  13.430   6.862   2.504
    4    HB3  GLN  43           HB3      GLN  43  12.005   7.781   2.964
    5   HE21  GLN  43          HE21      GLN  43  12.691   9.950   4.622
    6   HE22  GLN  43          HE22      GLN  43  14.150  10.770   4.157
    7    HG2  GLN  43           HG2      GLN  43  12.711   7.788   5.272
    8    HG3  GLN  43           HG3      GLN  43  14.100   6.776   4.877

  No H/Q in entry =           8
  In of MODEL   10
    1    H    SER  44           H        SER  44   9.588   6.543   3.246
    2    HA   SER  44           HA       SER  44   8.771   7.111   5.849
    3    HB2  SER  44           HB2      SER  44   7.560   7.869   3.849
    4    HB3  SER  44           HB3      SER  44   7.141   6.204   3.456
    5    HG   SER  44           HG       SER  44   6.350   7.589   5.805

  No H/Q in entry =           5
  In of MODEL   10
    1    HA   PRO  45           HA       PRO  45   8.828   3.292   7.977
    2    HB2  PRO  45           HB2      PRO  45   6.333   3.687   9.281
    3    HB3  PRO  45           HB3      PRO  45   7.944   4.024   9.917
    4    HD2  PRO  45           HD2      PRO  45   7.517   7.019   7.376
    5    HD3  PRO  45           HD3      PRO  45   8.901   6.432   8.324
    6    HG2  PRO  45           HG2      PRO  45   5.981   5.862   8.665
    7    HG3  PRO  45           HG3      PRO  45   7.209   6.194   9.900

  No H/Q in entry =           7
  In of MODEL   10
    1    H    LEU  46           H        LEU  46   8.381   1.363   7.190
    2    HA   LEU  46           HA       LEU  46   6.266   0.967   5.340
    3    HB2  LEU  46           HB2      LEU  46   8.180  -0.975   6.614
    4    HB3  LEU  46           HB3      LEU  46   6.959  -1.454   5.445
    5   HD12  LEU  46          HD11      LEU  46  10.341  -0.400   5.791
    6   HD11  LEU  46          HD12      LEU  46   9.615   1.206   5.707
    7   HD13  LEU  46          HD13      LEU  46  10.488   0.560   4.317
    8   HD23  LEU  46          HD21      LEU  46   9.522  -1.280   2.989
    9   HD22  LEU  46          HD22      LEU  46   7.910  -1.896   3.357
   10   HD21  LEU  46          HD23      LEU  46   9.268  -2.299   4.406
   11    HG   LEU  46           HG       LEU  46   8.082   0.434   3.981

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ALA  47           H        ALA  47   6.553   0.662   8.745
    2    HA   ALA  47           HA       ALA  47   4.363  -0.886   9.414
    3    HB2  ALA  47           HB1      ALA  47   4.116   0.562  11.379
    4    HB3  ALA  47           HB2      ALA  47   5.177   1.756  10.632
    5    HB1  ALA  47           HB3      ALA  47   5.809   0.171  11.078

  No H/Q in entry =           5
  In of MODEL   10
    1    H    THR  48           H        THR  48   4.462   2.498   8.335
    2    HA   THR  48           HA       THR  48   1.656   2.866   8.206
    3    HB   THR  48           HB       THR  48   3.881   4.258   6.699
    4    HG1  THR  48           HG1      THR  48   2.555   4.667   9.157
    5   HG22  THR  48          HG21      THR  48   2.208   6.028   6.252
    6   HG21  THR  48          HG22      THR  48   0.958   4.998   6.948
    7   HG23  THR  48          HG23      THR  48   1.785   4.504   5.470

  No H/Q in entry =           7
  In of MODEL   10
    1    H    ARG  49           H        ARG  49   4.090   1.722   5.919
    2    HA   ARG  49           HA       ARG  49   2.626   1.785   3.571
    3    HB2  ARG  49           HB2      ARG  49   4.696  -0.244   4.423
    4    HB3  ARG  49           HB3      ARG  49   4.099  -0.062   2.784
    5    HD2  ARG  49           HD2      ARG  49   5.924   2.991   2.006
    6    HD3  ARG  49           HD3      ARG  49   4.952   1.680   1.351
    7    HE   ARG  49           HE       ARG  49   3.034   2.771   2.032
    8    HG2  ARG  49           HG2      ARG  49   5.447   2.165   4.280
    9    HG3  ARG  49           HG3      ARG  49   6.324   1.001   3.291
   10   HH11  ARG  49          HH11      ARG  49   5.877   4.417   3.228
   11   HH12  ARG  49          HH12      ARG  49   5.017   5.851   3.694
   12   HH21  ARG  49          HH21      ARG  49   1.888   4.666   2.613
   13   HH22  ARG  49          HH22      ARG  49   2.743   5.999   3.312

  No H/Q in entry =          13
  In of MODEL   10
    1    H    ARG  50           H        ARG  50   2.742  -0.838   5.992
    2    HA   ARG  50           HA       ARG  50   1.116  -2.615   4.528
    3    HB2  ARG  50           HB2      ARG  50   1.849  -2.416   7.415
    4    HB3  ARG  50           HB3      ARG  50   0.549  -3.497   6.940
    5    HD2  ARG  50           HD2      ARG  50   4.574  -4.336   6.037
    6    HD3  ARG  50           HD3      ARG  50   4.024  -2.674   5.825
    7    HE   ARG  50           HE       ARG  50   3.460  -3.078   8.405
    8    HG2  ARG  50           HG2      ARG  50   2.322  -4.925   6.880
    9    HG3  ARG  50           HG3      ARG  50   2.317  -4.362   5.210
   10   HH11  ARG  50          HH11      ARG  50   6.340  -3.886   6.569
   11   HH12  ARG  50          HH12      ARG  50   7.424  -3.656   7.909
   12   HH21  ARG  50          HH21      ARG  50   4.874  -2.757  10.157
   13   HH22  ARG  50          HH22      ARG  50   6.588  -2.976   9.955

  No H/Q in entry =          13
  In of MODEL   10
    1    H    ALA  51           H        ALA  51   0.181  -0.504   7.263
    2    HA   ALA  51           HA       ALA  51  -2.558  -1.092   7.152
    3    HB1  ALA  51           HB1      ALA  51  -1.476  -0.024   9.073
    4    HB2  ALA  51           HB2      ALA  51  -2.871   0.901   8.520
    5    HB3  ALA  51           HB3      ALA  51  -1.240   1.443   8.124

  No H/Q in entry =           5
  In of MODEL   10
    1    H    PHE  52           H        PHE  52  -0.673   1.462   5.654
    2    HA   PHE  52           HA       PHE  52  -2.716   2.926   4.433
    3    HB2  PHE  52           HB2      PHE  52  -0.479   3.784   4.621
    4    HB3  PHE  52           HB3      PHE  52   0.160   2.471   3.640
    5    HD1  PHE  52           HD1      PHE  52   0.360   2.683   1.382
    6    HD2  PHE  52           HD2      PHE  52  -2.119   5.385   3.528
    7    HE1  PHE  52           HE1      PHE  52   0.094   4.042  -0.647
    8    HE2  PHE  52           HE2      PHE  52  -2.394   6.749   1.510
    9    HZ   PHE  52           HZ       PHE  52  -1.266   6.083  -0.578

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LEU  53           H        LEU  53  -0.731   0.284   3.104
    2    HA   LEU  53           HA       LEU  53  -1.945   0.162   0.575
    3    HB2  LEU  53           HB2      LEU  53  -0.308  -1.683   2.245
    4    HB3  LEU  53           HB3      LEU  53  -1.164  -2.379   0.888
    5   HD11  LEU  53          HD11      LEU  53  -0.846  -0.721  -1.344
    6   HD13  LEU  53          HD12      LEU  53  -0.151  -2.341  -1.267
    7   HD12  LEU  53          HD13      LEU  53   0.852  -0.973  -1.751
    8   HD21  LEU  53          HD21      LEU  53  -0.027   1.032   0.357
    9   HD23  LEU  53          HD22      LEU  53   1.619   0.649  -0.150
   10   HD22  LEU  53          HD23      LEU  53   1.171   0.537   1.554
   11    HG   LEU  53           HG       LEU  53   1.285  -1.676   0.553

  No H/Q in entry =          11
  In of MODEL   10
    1    H    LYS  54           H        LYS  54  -2.644  -1.615   3.568
    2    HA   LYS  54           HA       LYS  54  -4.695  -3.236   2.498
    3    HB2  LYS  54           HB2      LYS  54  -3.508  -2.740   5.091
    4    HB3  LYS  54           HB3      LYS  54  -5.252  -2.907   5.222
    5    HD2  LYS  54           HD2      LYS  54  -3.091  -6.139   3.548
    6    HD3  LYS  54           HD3      LYS  54  -2.955  -4.526   2.851
    7    HE2  LYS  54           HE2      LYS  54  -0.874  -5.053   3.923
    8    HE3  LYS  54           HE3      LYS  54  -1.702  -3.825   4.885
    9    HG2  LYS  54           HG2      LYS  54  -4.186  -5.039   5.548
   10    HG3  LYS  54           HG3      LYS  54  -5.124  -5.056   4.058
   11    HZ1  LYS  54           HZ1      LYS  54  -1.751  -6.740   5.478
   12    HZ3  LYS  54           HZ2      LYS  54  -2.402  -5.498   6.438
   13    HZ2  LYS  54           HZ3      LYS  54  -0.728  -5.619   6.232

  No H/Q in entry =          13
  In of MODEL   10
    1    H    LYS  55           H        LYS  55  -4.730  -0.034   3.953
    2    HA   LYS  55           HA       LYS  55  -7.595   0.096   4.066
    3    HB2  LYS  55           HB2      LYS  55  -5.370   2.016   4.625
    4    HB3  LYS  55           HB3      LYS  55  -7.014   2.623   4.432
    5    HD2  LYS  55           HD2      LYS  55  -8.682   2.253   6.226
    6    HD3  LYS  55           HD3      LYS  55  -8.649   0.619   5.569
    7    HE2  LYS  55           HE2      LYS  55  -8.076   1.275   8.450
    8    HE3  LYS  55           HE3      LYS  55  -9.674   0.842   7.846
    9    HG2  LYS  55           HG2      LYS  55  -6.288   0.421   6.350
   10    HG3  LYS  55           HG3      LYS  55  -6.348   2.133   6.794
   11    HZ1  LYS  55           HZ1      LYS  55  -8.566  -1.249   6.982
   12    HZ3  LYS  55           HZ2      LYS  55  -8.769  -1.130   8.655
   13    HZ2  LYS  55           HZ3      LYS  55  -7.242  -0.846   7.967

  No H/Q in entry =          13
  In of MODEL   10
    1    H    LYS  56           H        LYS  56  -5.226   0.766   1.665
    2    HA   LYS  56           HA       LYS  56  -6.809   2.665   0.225
    3    HB2  LYS  56           HB2      LYS  56  -4.156   1.838   0.150
    4    HB3  LYS  56           HB3      LYS  56  -4.823   1.304  -1.386
    5    HD2  LYS  56           HD2      LYS  56  -4.271   4.062   0.839
    6    HD3  LYS  56           HD3      LYS  56  -4.221   5.330  -0.384
    7    HE2  LYS  56           HE2      LYS  56  -6.757   4.055   0.638
    8    HE3  LYS  56           HE3      LYS  56  -6.074   5.547   1.279
    9    HG2  LYS  56           HG2      LYS  56  -3.893   3.476  -1.691
   10    HG3  LYS  56           HG3      LYS  56  -5.649   3.613  -1.774
   11    HZ3  LYS  56           HZ1      LYS  56  -7.778   6.048  -0.320
   12    HZ2  LYS  56           HZ2      LYS  56  -7.028   5.102  -1.505
   13    HZ1  LYS  56           HZ3      LYS  56  -6.281   6.521  -0.952

  No H/Q in entry =          13
  In of MODEL   10
    1    H    GLY  57           H        GLY  57  -6.896  -0.716   0.519
    2    HA3  GLY  57           HA2      GLY  57  -9.072  -1.591  -0.198
    3    HA2  GLY  57           HA3      GLY  57  -8.845  -0.713  -1.698

  No H/Q in entry =           3
  In of MODEL   10
    1    H    LEU  58           H        LEU  58  -6.171  -2.470  -0.311
    2    HA   LEU  58           HA       LEU  58  -6.738  -4.708  -2.096
    3    HB2  LEU  58           HB2      LEU  58  -4.289  -4.722  -2.732
    4    HB3  LEU  58           HB3      LEU  58  -5.276  -3.472  -3.452
    5   HD12  LEU  58          HD11      LEU  58  -2.186  -4.095  -1.999
    6   HD11  LEU  58          HD12      LEU  58  -3.064  -3.965  -0.475
    7   HD13  LEU  58          HD13      LEU  58  -1.999  -2.659  -0.993
    8   HD22  LEU  58          HD21      LEU  58  -4.180  -1.405  -3.673
    9   HD21  LEU  58          HD22      LEU  58  -2.889  -2.573  -3.953
   10   HD23  LEU  58          HD23      LEU  58  -2.623  -1.208  -2.869
   11    HG   LEU  58           HG       LEU  58  -4.344  -2.101  -1.355

  No H/Q in entry =          11
  In of MODEL   10
    1    H    THR  59           H        THR  59  -6.083  -6.682  -1.389
    2    HA   THR  59           HA       THR  59  -5.693  -6.897   1.432
    3    HB   THR  59           HB       THR  59  -5.379  -9.445   0.406
    4    HG1  THR  59           HG1      THR  59  -5.850  -8.756  -1.708
    5   HG23  THR  59          HG21      THR  59  -6.833  -8.800   2.259
    6   HG22  THR  59          HG22      THR  59  -7.726  -9.749   1.071
    7   HG21  THR  59          HG23      THR  59  -7.929  -7.998   1.135

  No H/Q in entry =           7
  In of MODEL   10
    1    H    ASP  60           H        ASP  60  -4.086  -8.719   2.169
    2    HA   ASP  60           HA       ASP  60  -1.607  -7.528   2.196
    3    HB2  ASP  60           HB2      ASP  60  -2.325 -10.401   2.767
    4    HB3  ASP  60           HB3      ASP  60  -0.775  -9.667   3.172

  No H/Q in entry =           4
  In of MODEL   10
    1    H    GLU  61           H        GLU  61  -2.571 -10.337   0.218
    2    HA   GLU  61           HA       GLU  61  -0.025 -10.766  -0.870
    3    HB2  GLU  61           HB2      GLU  61  -1.264 -11.979  -2.698
    4    HB3  GLU  61           HB3      GLU  61  -1.587 -12.522  -1.058
    5    HG2  GLU  61           HG2      GLU  61  -3.674 -11.250  -1.055
    6    HG3  GLU  61           HG3      GLU  61  -3.350 -10.725  -2.709

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLU  62           H        GLU  62  -2.518  -8.480  -1.717
    2    HA   GLU  62           HA       GLU  62  -1.360  -7.751  -4.230
    3    HB2  GLU  62           HB2      GLU  62  -3.498  -6.592  -2.484
    4    HB3  GLU  62           HB3      GLU  62  -2.823  -5.622  -3.784
    5    HG2  GLU  62           HG2      GLU  62  -4.857  -6.724  -4.482
    6    HG3  GLU  62           HG3      GLU  62  -3.474  -7.310  -5.404

  No H/Q in entry =           6
  In of MODEL   10
    1    H    ILE  63           H        ILE  63  -0.910  -6.788  -0.889
    2    HA   ILE  63           HA       ILE  63   0.432  -4.360  -1.527
    3    HB   ILE  63           HB       ILE  63   0.883  -4.040   0.708
    4   HD12  ILE  63          HD11      ILE  63   0.240  -5.776   3.199
    5   HD11  ILE  63          HD12      ILE  63   1.680  -4.773   3.019
    6   HD13  ILE  63          HD13      ILE  63   1.842  -6.496   3.360
    7   HG12  ILE  63          HG12      ILE  63   0.854  -7.025   1.205
    8   HG13  ILE  63          HG13      ILE  63   2.305  -6.045   1.029
    9   HG23  ILE  63          HG21      ILE  63  -1.035  -4.762   1.992
   10   HG22  ILE  63          HG22      ILE  63  -1.389  -6.008   0.798
   11   HG21  ILE  63          HG23      ILE  63  -1.515  -4.304   0.360

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ASP  64           H        ASP  64   1.523  -7.688  -0.821
    2    HA   ASP  64           HA       ASP  64   4.285  -7.034  -1.192
    3    HB2  ASP  64           HB2      ASP  64   3.162  -9.796  -1.603
    4    HB3  ASP  64           HB3      ASP  64   4.788  -9.343  -1.141

  No H/Q in entry =           4
  In of MODEL   10
    1    H    MET  65           H        MET  65   1.643  -7.613  -3.292
    2    HA   MET  65           HA       MET  65   3.179  -8.308  -5.594
    3    HB2  MET  65           HB2      MET  65   0.821  -8.806  -5.573
    4    HB3  MET  65           HB3      MET  65   0.415  -7.117  -5.318
    5    HE1  MET  65           HE1      MET  65   0.870 -10.461  -7.874
    6    HE3  MET  65           HE2      MET  65   2.057 -10.247  -6.586
    7    HE2  MET  65           HE3      MET  65   2.557 -10.894  -8.150
    8    HG2  MET  65           HG2      MET  65   0.018  -7.901  -7.624
    9    HG3  MET  65           HG3      MET  65   1.136  -6.543  -7.528

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ALA  66           H        ALA  66   1.761  -5.248  -4.461
    2    HA   ALA  66           HA       ALA  66   2.898  -3.648  -6.504
    3    HB2  ALA  66           HB1      ALA  66   2.314  -1.746  -5.071
    4    HB1  ALA  66           HB2      ALA  66   1.995  -2.848  -3.733
    5    HB3  ALA  66           HB3      ALA  66   0.982  -2.898  -5.175

  No H/Q in entry =           5
  In of MODEL   10
    1    H    PHE  67           H        PHE  67   3.920  -4.542  -3.256
    2    HA   PHE  67           HA       PHE  67   6.341  -3.051  -3.341
    3    HB2  PHE  67           HB2      PHE  67   5.276  -5.185  -1.505
    4    HB3  PHE  67           HB3      PHE  67   6.928  -4.590  -1.348
    5    HD1  PHE  67           HD1      PHE  67   6.518  -1.751  -2.053
    6    HD2  PHE  67           HD2      PHE  67   4.222  -4.321   0.464
    7    HE1  PHE  67           HE1      PHE  67   5.730   0.204  -0.795
    8    HE2  PHE  67           HE2      PHE  67   3.441  -2.363   1.731
    9    HZ   PHE  67           HZ       PHE  67   4.201  -0.105   1.105

  No H/Q in entry =           9
  In of MODEL   10
    1    H    GLN  68           H        GLN  68   5.404  -6.255  -4.361
    2    HA   GLN  68           HA       GLN  68   7.915  -7.406  -4.766
    3    HB2  GLN  68           HB2      GLN  68   5.896  -8.721  -5.068
    4    HB3  GLN  68           HB3      GLN  68   5.388  -7.694  -6.401
    5   HE21  GLN  68          HE21      GLN  68   5.706  -8.704  -9.038
    6   HE22  GLN  68          HE22      GLN  68   4.854 -10.207  -9.162
    7    HG2  GLN  68           HG2      GLN  68   7.436  -8.435  -7.632
    8    HG3  GLN  68           HG3      GLN  68   7.704  -9.608  -6.342

  No H/Q in entry =           8
  In of MODEL   10
    1    H    GLN  69           H        GLN  69   5.858  -5.577  -6.977
    2    HA   GLN  69           HA       GLN  69   7.666  -5.539  -9.135
    3    HB2  GLN  69           HB2      GLN  69   5.025  -4.820  -8.706
    4    HB3  GLN  69           HB3      GLN  69   5.826  -3.302  -9.104
    5   HE21  GLN  69          HE21      GLN  69   6.998  -5.804 -12.629
    6   HE22  GLN  69          HE22      GLN  69   6.945  -7.481 -12.199
    7    HG2  GLN  69           HG2      GLN  69   4.895  -4.506 -11.054
    8    HG3  GLN  69           HG3      GLN  69   6.617  -4.170 -11.172

  No H/Q in entry =           8
  In of MODEL   10
    1    H    SER  70           H        SER  70   7.260  -3.498  -6.349
    2    HA   SER  70           HA       SER  70   9.009  -1.438  -7.376
    3    HB2  SER  70           HB2      SER  70   7.881  -1.855  -4.599
    4    HB3  SER  70           HB3      SER  70   8.740  -0.416  -5.151
    5    HG   SER  70           HG       SER  70   6.178  -1.350  -5.844

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLY  71           H        GLY  71   9.432  -4.468  -6.037
    2    HA3  GLY  71           HA2      GLY  71  11.328  -5.623  -5.461
    3    HA2  GLY  71           HA3      GLY  71  12.256  -4.221  -5.969

  No H/Q in entry =           3
  In of MODEL   10
    1    H    THR  72           H        THR  72   9.792  -4.316  -3.437
    2    HA   THR  72           HA       THR  72  11.902  -3.499  -1.547
    3    HB   THR  72           HB       THR  72  10.074  -2.289  -0.337
    4    HG1  THR  72           HG1      THR  72   8.343  -3.507  -1.308
    5   HG23  THR  72          HG21      THR  72  11.572  -1.099  -1.860
    6   HG22  THR  72          HG22      THR  72   9.943  -0.427  -1.917
    7   HG21  THR  72          HG23      THR  72  10.503  -1.482  -3.212

  No H/Q in entry =           7
  In of MODEL   10
    1    H    ALA  73           H        ALA  73  12.274  -5.695  -0.930
    2    HA   ALA  73           HA       ALA  73  10.108  -6.981   0.558
    3    HB2  ALA  73           HB1      ALA  73  11.570  -8.930   0.664
    4    HB3  ALA  73           HB2      ALA  73  12.862  -8.018  -0.116
    5    HB1  ALA  73           HB3      ALA  73  11.380  -8.379  -1.001

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ALA  74           H        ALA  74  12.672  -4.899   1.041
    2    HA   ALA  74           HA       ALA  74  13.581  -5.634   3.598
    3    HB3  ALA  74           HB1      ALA  74  13.488  -2.910   2.299
    4    HB2  ALA  74           HB2      ALA  74  14.811  -4.071   2.175
    5    HB1  ALA  74           HB3      ALA  74  14.421  -3.337   3.731

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ASP  75           H        ASP  75  12.706  -5.393   5.491
    2    HA   ASP  75           HA       ASP  75  11.170  -5.088   7.125
    3    HB2  ASP  75           HB2      ASP  75  11.507  -2.625   6.522
    4    HB3  ASP  75           HB3      ASP  75  10.027  -2.762   5.578

  No H/Q in entry =           4
  In of MODEL   10
    1    H    GLU  76           H        GLU  76  10.057  -6.893   6.903
    2    HA   GLU  76           HA       GLU  76   8.688  -7.829   4.753
    3    HB2  GLU  76           HB2      GLU  76   9.350  -9.386   6.329
    4    HB3  GLU  76           HB3      GLU  76   8.723  -8.451   7.672
    5    HG2  GLU  76           HG2      GLU  76   6.694  -9.460   5.806
    6    HG3  GLU  76           HG3      GLU  76   7.591 -10.691   6.697

  No H/Q in entry =           6
  In of MODEL   10
    1    HA   PRO  77           HA       PRO  77   4.652  -5.872   5.144
    2    HB2  PRO  77           HB2      PRO  77   4.209  -6.596   2.417
    3    HB3  PRO  77           HB3      PRO  77   4.529  -4.979   3.047
    4    HD2  PRO  77           HD2      PRO  77   6.976  -8.013   2.886
    5    HD3  PRO  77           HD3      PRO  77   8.107  -6.707   3.306
    6    HG2  PRO  77           HG2      PRO  77   6.231  -6.405   1.396
    7    HG3  PRO  77           HG3      PRO  77   6.725  -5.064   2.443

  No H/Q in entry =           7
  In of MODEL   10
    1    H    SER  78           H        SER  78   5.920  -8.908   4.564
    2    HA   SER  78           HA       SER  78   3.389 -10.232   3.920
    3    HB2  SER  78           HB2      SER  78   6.129 -11.476   4.263
    4    HB3  SER  78           HB3      SER  78   4.725 -12.183   3.464
    5    HG   SER  78           HG       SER  78   5.060  -9.954   2.204

  No H/Q in entry =           5
  In of MODEL   10
    1    H    SER  79           H        SER  79   2.581  -9.556   6.088
    2    HA   SER  79           HA       SER  79   3.901 -10.582   8.410
    3    HB2  SER  79           HB2      SER  79   1.222  -9.212   8.131
    4    HB3  SER  79           HB3      SER  79   2.080  -9.502   9.645
    5    HG   SER  79           HG       SER  79   3.811  -8.346   8.042

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LEU  80           H        LEU  80   0.887 -11.391   6.705
    2    HA   LEU  80           HA       LEU  80   0.121 -13.291   8.694
    3    HB2  LEU  80           HB2      LEU  80  -0.933 -12.679   5.949
    4    HB3  LEU  80           HB3      LEU  80  -1.563 -14.006   6.903
    5   HD13  LEU  80          HD11      LEU  80  -2.317  -9.980   8.021
    6   HD12  LEU  80          HD12      LEU  80  -1.579 -10.359   6.465
    7   HD11  LEU  80          HD13      LEU  80  -0.638 -10.513   7.949
    8   HD22  LEU  80          HD21      LEU  80  -4.161 -11.607   7.625
    9   HD21  LEU  80          HD22      LEU  80  -3.786 -13.284   7.232
   10   HD23  LEU  80          HD23      LEU  80  -3.489 -12.014   6.045
   11    HG   LEU  80           HG       LEU  80  -2.097 -12.309   8.703

  No H/Q in entry =          11
  In of MODEL   10
    1    H    TRP  81           H        TRP  81   0.534 -13.996   5.237
    2    HA   TRP  81           HA       TRP  81   2.195 -16.301   5.938
    3    HB2  TRP  81           HB2      TRP  81  -0.317 -16.425   4.254
    4    HB3  TRP  81           HB3      TRP  81   0.855 -17.730   4.386
    5    HD1  TRP  81           HD1      TRP  81  -2.084 -16.172   6.171
    6    HE1  TRP  81           HE1      TRP  81  -2.653 -17.559   8.270
    7    HE3  TRP  81           HE3      TRP  81   2.026 -19.214   6.269
    8    HH2  TRP  81           HH2      TRP  81   0.485 -21.095   9.781
    9    HZ2  TRP  81           HZ2      TRP  81  -1.505 -19.655   9.765
   10    HZ3  TRP  81           HZ3      TRP  81   2.215 -20.882   8.070

  No H/Q in entry =          10
  In of MODEL   10
    1    H1   SER 101           H3       SER 101   1.636  19.184   4.562
    2    H2   SER 101           H2       SER 101   1.180  20.063   5.935
    3    H3   SER 101           H1       SER 101   2.533  19.041   5.995
    4    HA   SER 101           HA       SER 101   0.685  18.014   7.106
    5    HB2  SER 101           HB2      SER 101  -0.687  18.302   4.422
    6    HB3  SER 101           HB3      SER 101  -1.349  17.469   5.828
    7    HG   SER 101           HG       SER 101  -2.045  19.321   6.480

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLN 102           H        GLN 102   1.600  16.082   7.381
    2    HA   GLN 102           HA       GLN 102   2.876  14.630   5.286
    3    HB2  GLN 102           HB2      GLN 102   3.475  14.491   7.728
    4    HB3  GLN 102           HB3      GLN 102   2.002  13.561   7.977
    5   HE21  GLN 102          HE21      GLN 102   2.656  12.428   9.274
    6   HE22  GLN 102          HE22      GLN 102   3.907  11.509  10.042
    7    HG2  GLN 102           HG2      GLN 102   2.829  11.842   6.450
    8    HG3  GLN 102           HG3      GLN 102   4.301  12.775   6.193

  No H/Q in entry =           8
  In of MODEL   10
    1    H    GLU 103           H        GLU 103  -0.318  14.669   6.629
    2    HA   GLU 103           HA       GLU 103  -1.431  12.310   5.751
    3    HB2  GLU 103           HB2      GLU 103  -2.649  13.947   7.079
    4    HB3  GLU 103           HB3      GLU 103  -2.635  15.084   5.740
    5    HG2  GLU 103           HG2      GLU 103  -4.061  13.610   4.444
    6    HG3  GLU 103           HG3      GLU 103  -4.034  12.418   5.743

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LYS 104           H        LYS 104  -0.746  15.228   3.872
    2    HA   LYS 104           HA       LYS 104  -2.090  14.403   1.522
    3    HB2  LYS 104           HB2      LYS 104   0.208  16.345   1.797
    4    HB3  LYS 104           HB3      LYS 104  -0.843  16.185   0.396
    5    HD2  LYS 104           HD2      LYS 104  -0.607  18.798   1.457
    6    HD3  LYS 104           HD3      LYS 104  -1.891  18.333   0.340
    7    HE2  LYS 104           HE2      LYS 104  -3.530  19.054   2.114
    8    HE3  LYS 104           HE3      LYS 104  -2.159  19.744   2.983
    9    HG2  LYS 104           HG2      LYS 104  -2.758  16.748   1.965
   10    HG3  LYS 104           HG3      LYS 104  -1.516  17.233   3.122
   11    HZ1  LYS 104           HZ1      LYS 104  -1.692  21.118   1.029
   12    HZ3  LYS 104           HZ2      LYS 104  -3.237  21.419   1.661
   13    HZ2  LYS 104           HZ3      LYS 104  -3.067  20.485   0.257

  No H/Q in entry =          13
  In of MODEL   10
    1    H    PHE 105           H        PHE 105   1.134  13.873   2.763
    2    HA   PHE 105           HA       PHE 105   2.325  12.965   0.375
    3    HB2  PHE 105           HB2      PHE 105   3.620  13.592   2.377
    4    HB3  PHE 105           HB3      PHE 105   2.941  12.227   3.252
    5    HD1  PHE 105           HD1      PHE 105   5.147  13.178   0.453
    6    HD2  PHE 105           HD2      PHE 105   3.878  10.076   3.074
    7    HE1  PHE 105           HE1      PHE 105   7.008  11.770  -0.320
    8    HE2  PHE 105           HE2      PHE 105   5.739   8.664   2.306
    9    HZ   PHE 105           HZ       PHE 105   7.315   9.509   0.632

  No H/Q in entry =           9
  In of MODEL   10
    1    H    PHE 106           H        PHE 106   0.082  11.506   2.553
    2    HA   PHE 106           HA       PHE 106   0.498   8.874   1.362
    3    HB2  PHE 106           HB2      PHE 106  -1.289   9.754   3.638
    4    HB3  PHE 106           HB3      PHE 106  -1.144   8.096   3.058
    5    HD1  PHE 106           HD1      PHE 106  -0.104  10.227   5.550
    6    HD2  PHE 106           HD2      PHE 106   1.447   7.373   2.807
    7    HE1  PHE 106           HE1      PHE 106   1.847   9.884   7.013
    8    HE2  PHE 106           HE2      PHE 106   3.395   7.023   4.261
    9    HZ   PHE 106           HZ       PHE 106   3.600   8.272   6.365

  No H/Q in entry =           9
  In of MODEL   10
    1    H    GLN 107           H        GLN 107  -2.130  11.237   1.814
    2    HA   GLN 107           HA       GLN 107  -3.941   9.626   0.249
    3    HB2  GLN 107           HB2      GLN 107  -4.730  10.912   2.182
    4    HB3  GLN 107           HB3      GLN 107  -4.270  12.408   1.381
    5   HE21  GLN 107          HE21      GLN 107  -8.469  11.088   0.699
    6   HE22  GLN 107          HE22      GLN 107  -8.951  12.320   1.827
    7    HG2  GLN 107           HG2      GLN 107  -5.895  11.959  -0.386
    8    HG3  GLN 107           HG3      GLN 107  -6.361  10.466   0.425

  No H/Q in entry =           8
  In of MODEL   10
    1    H    GLU 108           H        GLU 108  -2.279  12.725  -0.199
    2    HA   GLU 108           HA       GLU 108  -3.621  13.478  -2.563
    3    HB2  GLU 108           HB2      GLU 108  -2.080  14.795  -0.867
    4    HB3  GLU 108           HB3      GLU 108  -0.813  14.351  -1.996
    5    HG2  GLU 108           HG2      GLU 108  -3.296  15.918  -2.665
    6    HG3  GLU 108           HG3      GLU 108  -1.694  16.595  -2.394

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LEU 109           H        LEU 109  -0.477  11.911  -2.021
    2    HA   LEU 109           HA       LEU 109   0.245  11.869  -4.763
    3    HB2  LEU 109           HB2      LEU 109   1.294  10.240  -2.455
    4    HB3  LEU 109           HB3      LEU 109   2.024  10.303  -4.047
    5   HD12  LEU 109          HD11      LEU 109   4.229  12.449  -2.060
    6   HD11  LEU 109          HD12      LEU 109   4.133  10.982  -3.035
    7   HD13  LEU 109          HD13      LEU 109   3.431  11.015  -1.419
    8   HD21  LEU 109          HD21      LEU 109   3.036  12.476  -4.856
    9   HD23  LEU 109          HD22      LEU 109   3.138  13.840  -3.742
   10   HD22  LEU 109          HD23      LEU 109   1.581  13.373  -4.425
   11    HG   LEU 109           HG       LEU 109   1.767  12.612  -2.121

  No H/Q in entry =          11
  In of MODEL   10
    1    H    PHE 110           H        PHE 110  -2.013   9.993  -3.107
    2    HA   PHE 110           HA       PHE 110  -1.612   7.718  -4.925
    3    HB2  PHE 110           HB2      PHE 110  -1.884   7.507  -2.316
    4    HB3  PHE 110           HB3      PHE 110  -3.600   7.670  -2.680
    5    HD1  PHE 110           HD1      PHE 110  -4.707   5.982  -4.136
    6    HD2  PHE 110           HD2      PHE 110  -0.718   5.513  -2.743
    7    HE1  PHE 110           HE1      PHE 110  -4.806   3.588  -4.682
    8    HE2  PHE 110           HE2      PHE 110  -0.805   3.118  -3.284
    9    HZ   PHE 110           HZ       PHE 110  -2.849   2.151  -4.257

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ASP 111           H        ASP 111  -3.324  10.536  -4.757
    2    HA   ASP 111           HA       ASP 111  -5.919   9.554  -5.512
    3    HB2  ASP 111           HB2      ASP 111  -5.375  11.757  -4.278
    4    HB3  ASP 111           HB3      ASP 111  -5.002  12.400  -5.875

  No H/Q in entry =           4
  In of MODEL   10
    1    H    SER 112           H        SER 112  -3.043  10.563  -7.154
    2    HA   SER 112           HA       SER 112  -4.124   9.532  -9.626
    3    HB2  SER 112           HB2      SER 112  -3.091  12.373  -9.447
    4    HB3  SER 112           HB3      SER 112  -3.452  11.521 -10.947
    5    HG   SER 112           HG       SER 112  -5.544  11.400  -9.225

  No H/Q in entry =           5