NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
9474 | 1nyp | 5692 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1HT GLY 1 6.754 29.893 1.773 2 2H GLY 1 2HT GLY 1 5.734 31.036 1.038 3 3H GLY 1 3HT GLY 1 6.274 29.686 0.159 4 1HA GLY 1 2HA GLY 1 4.980 28.832 2.525 5 2HA GLY 1 1HA GLY 1 3.930 29.912 1.606 6 H SER 2 H SER 2 6.342 27.424 0.691 7 HA SER 2 HA SER 2 4.652 26.551 -1.525 8 1HB SER 2 2HB SER 2 7.074 25.107 -0.433 9 2HB SER 2 1HB SER 2 6.430 25.059 -2.072 10 HG SER 2 HG SER 2 8.224 26.726 -1.037 11 H MET 3 H MET 3 3.782 24.363 -1.709 12 HA MET 3 HA MET 3 2.224 23.495 0.444 13 1HB MET 3 2HB MET 3 3.387 21.587 -1.593 14 2HB MET 3 1HB MET 3 1.819 21.495 -0.791 15 1HG MET 3 2HG MET 3 1.240 23.700 -1.918 16 2HG MET 3 1HG MET 3 2.703 23.495 -2.882 17 1HE MET 3 1HE MET 3 0.813 22.321 -5.798 18 2HE MET 3 2HE MET 3 2.315 22.978 -5.151 19 3HE MET 3 3HE MET 3 0.794 23.809 -4.843 20 H GLY 4 H GLY 4 2.478 21.340 1.634 21 1HA GLY 4 2HA GLY 4 5.126 20.261 2.047 22 2HA GLY 4 1HA GLY 4 4.688 21.365 3.351 23 H VAL 5 H VAL 5 2.698 19.040 1.508 24 HA VAL 5 HA VAL 5 2.402 17.337 3.885 25 HB VAL 5 HB VAL 5 0.280 19.214 2.923 26 1HG1 VAL 5 1HG1 VAL 5 -0.913 17.261 2.407 27 2HG1 VAL 5 2HG1 VAL 5 -1.361 17.562 4.090 28 3HG1 VAL 5 3HG1 VAL 5 -0.157 16.341 3.709 29 1HG2 VAL 5 1HG2 VAL 5 1.253 19.690 5.068 30 2HG2 VAL 5 2HG2 VAL 5 1.084 18.010 5.582 31 3HG2 VAL 5 3HG2 VAL 5 -0.352 19.017 5.371 32 HA PRO 6 HA PRO 6 1.975 14.561 0.431 33 1HB PRO 6 2HB PRO 6 1.545 12.332 2.129 34 2HB PRO 6 1HB PRO 6 3.096 12.857 1.469 35 1HG PRO 6 2HG PRO 6 2.208 13.010 4.216 36 2HG PRO 6 1HG PRO 6 3.777 13.458 3.541 37 1HD PRO 6 2HD PRO 6 1.622 15.198 4.406 38 2HD PRO 6 1HD PRO 6 3.243 15.631 3.860 39 H ILE 7 H ILE 7 0.292 13.066 -0.325 40 HA ILE 7 HA ILE 7 -2.288 13.401 1.107 41 HB ILE 7 HB ILE 7 -1.668 14.148 -1.744 42 1HG1 ILE 7 2HG1 ILE 7 -3.282 15.430 0.463 43 2HG1 ILE 7 1HG1 ILE 7 -1.593 15.788 0.166 44 1HG2 ILE 7 1HG2 ILE 7 -4.272 13.244 -0.510 45 2HG2 ILE 7 2HG2 ILE 7 -3.546 12.724 -2.031 46 3HG2 ILE 7 3HG2 ILE 7 -4.241 14.339 -1.892 47 1HD1 ILE 7 1HD1 ILE 7 -3.631 16.060 -2.033 48 2HD1 ILE 7 2HD1 ILE 7 -2.062 16.852 -1.873 49 3HD1 ILE 7 3HD1 ILE 7 -3.411 17.347 -0.845 50 H CYS 8 H CYS 8 -3.097 11.497 1.468 51 HA CYS 8 HA CYS 8 -2.050 9.087 0.479 52 1HB CYS 8 2HB CYS 8 -3.291 9.064 2.522 53 2HB CYS 8 1HB CYS 8 -4.715 9.729 1.733 54 H GLY 9 H GLY 9 -2.131 8.332 -1.513 55 1HA GLY 9 2HA GLY 9 -3.850 9.356 -3.546 56 2HA GLY 9 1HA GLY 9 -2.876 7.895 -3.693 57 H ALA 10 H ALA 10 -4.649 7.500 -0.955 58 HA ALA 10 HA ALA 10 -6.523 5.698 -2.334 59 1HB ALA 10 1HB ALA 10 -6.619 6.131 0.623 60 2HB ALA 10 2HB ALA 10 -5.187 5.358 -0.049 61 3HB ALA 10 3HB ALA 10 -6.773 4.634 -0.296 62 H CYS 11 H CYS 11 -6.717 8.455 -0.095 63 HA CYS 11 HA CYS 11 -9.548 8.861 -0.996 64 1HB CYS 11 2HB CYS 11 -9.625 10.219 1.233 65 2HB CYS 11 1HB CYS 11 -9.681 8.458 1.320 66 H ARG 12 H ARG 12 -6.533 9.959 -1.570 67 HA ARG 12 HA ARG 12 -5.649 11.993 -2.307 68 1HB ARG 12 2HB ARG 12 -8.589 12.278 -2.960 69 2HB ARG 12 1HB ARG 12 -7.428 13.539 -3.359 70 1HG ARG 12 2HG ARG 12 -6.850 10.698 -4.154 71 2HG ARG 12 1HG ARG 12 -7.973 11.645 -5.119 72 1HD ARG 12 2HD ARG 12 -5.078 12.280 -4.519 73 2HD ARG 12 1HD ARG 12 -5.777 11.917 -6.091 74 HE ARG 12 HE ARG 12 -5.575 14.503 -4.942 75 1HH1 ARG 12 1HH2 ARG 12 -7.967 12.483 -6.406 76 2HH1 ARG 12 2HH2 ARG 12 -9.019 13.802 -6.792 77 1HH2 ARG 12 1HH1 ARG 12 -6.929 16.216 -5.456 78 2HH2 ARG 12 2HH1 ARG 12 -8.430 15.909 -6.261 79 H ARG 13 H ARG 13 -6.105 11.771 0.456 80 HA ARG 13 HA ARG 13 -7.008 14.530 1.179 81 1HB ARG 13 2HB ARG 13 -7.180 11.895 2.616 82 2HB ARG 13 1HB ARG 13 -7.123 13.390 3.549 83 1HG ARG 13 2HG ARG 13 -9.049 14.238 2.178 84 2HG ARG 13 1HG ARG 13 -9.162 12.642 1.435 85 1HD ARG 13 2HD ARG 13 -9.319 11.719 3.825 86 2HD ARG 13 1HD ARG 13 -9.598 13.386 4.329 87 HE ARG 13 HE ARG 13 -11.439 12.995 2.297 88 1HH1 ARG 13 1HH2 ARG 13 -10.562 11.393 5.221 89 2HH1 ARG 13 2HH2 ARG 13 -12.158 10.792 5.527 90 1HH2 ARG 13 1HH1 ARG 13 -13.527 12.220 2.679 91 2HH2 ARG 13 2HH1 ARG 13 -13.836 11.260 4.087 92 HA PRO 14 HA PRO 14 -2.818 15.407 2.193 93 1HB PRO 14 2HB PRO 14 -3.551 16.976 4.511 94 2HB PRO 14 1HB PRO 14 -3.003 17.542 2.930 95 1HG PRO 14 2HG PRO 14 -5.644 17.711 3.985 96 2HG PRO 14 1HG PRO 14 -5.086 18.181 2.371 97 1HD PRO 14 2HD PRO 14 -6.727 15.901 3.082 98 2HD PRO 14 1HD PRO 14 -6.192 16.411 1.468 99 H ILE 15 H ILE 15 -1.660 13.747 3.052 100 HA ILE 15 HA ILE 15 -2.554 12.304 5.410 101 HB ILE 15 HB ILE 15 0.126 12.282 3.980 102 1HG1 ILE 15 2HG1 ILE 15 -1.862 10.052 3.906 103 2HG1 ILE 15 1HG1 ILE 15 -2.191 11.479 2.928 104 1HG2 ILE 15 1HG2 ILE 15 0.152 9.947 5.176 105 2HG2 ILE 15 2HG2 ILE 15 -0.994 10.702 6.282 106 3HG2 ILE 15 3HG2 ILE 15 0.620 11.382 6.092 107 1HD1 ILE 15 1HD1 ILE 15 0.563 10.315 2.814 108 2HD1 ILE 15 2HD1 ILE 15 -0.360 11.137 1.558 109 3HD1 ILE 15 3HD1 ILE 15 -0.733 9.463 1.970 110 H GLU 16 H GLU 16 -1.322 12.231 7.492 111 HA GLU 16 HA GLU 16 0.514 14.457 8.032 112 1HB GLU 16 2HB GLU 16 -1.094 15.300 9.903 113 2HB GLU 16 1HB GLU 16 -1.387 15.813 8.242 114 1HG GLU 16 2HG GLU 16 -3.158 14.264 7.954 115 2HG GLU 16 1HG GLU 16 -2.693 13.342 9.384 116 H GLY 17 H GLY 17 1.333 12.053 8.413 117 1HA GLY 17 2HA GLY 17 1.841 11.788 11.215 118 2HA GLY 17 1HA GLY 17 0.647 10.583 10.726 119 H ARG 18 H ARG 18 1.323 8.830 9.607 120 HA ARG 18 HA ARG 18 4.207 8.732 8.811 121 1HB ARG 18 2HB ARG 18 2.342 6.569 9.811 122 2HB ARG 18 1HB ARG 18 3.871 6.212 9.005 123 1HG ARG 18 2HG ARG 18 4.974 7.749 10.716 124 2HG ARG 18 1HG ARG 18 3.449 7.695 11.597 125 1HD ARG 18 2HD ARG 18 3.907 5.028 11.059 126 2HD ARG 18 1HD ARG 18 5.537 5.633 11.336 127 HE ARG 18 HE ARG 18 3.743 5.040 13.388 128 1HH1 ARG 18 1HH2 ARG 18 5.436 7.839 12.273 129 2HH1 ARG 18 2HH2 ARG 18 5.416 8.620 13.817 130 1HH2 ARG 18 1HH1 ARG 18 3.723 6.046 15.399 131 2HH2 ARG 18 2HH1 ARG 18 4.452 7.606 15.584 132 H VAL 19 H VAL 19 4.437 8.757 6.667 133 HA VAL 19 HA VAL 19 2.079 8.154 4.967 134 HB VAL 19 HB VAL 19 4.738 9.405 4.233 135 1HG1 VAL 19 1HG1 VAL 19 2.937 10.315 2.424 136 2HG1 VAL 19 2HG1 VAL 19 2.258 8.720 2.737 137 3HG1 VAL 19 3HG1 VAL 19 3.917 8.872 2.156 138 1HG2 VAL 19 1HG2 VAL 19 3.083 10.573 5.941 139 2HG2 VAL 19 2HG2 VAL 19 2.159 10.914 4.480 140 3HG2 VAL 19 3HG2 VAL 19 3.814 11.503 4.634 141 H VAL 20 H VAL 20 2.345 6.914 3.002 142 HA VAL 20 HA VAL 20 4.571 4.919 3.129 143 HB VAL 20 HB VAL 20 1.629 4.525 2.615 144 1HG1 VAL 20 1HG1 VAL 20 2.510 2.141 1.872 145 2HG1 VAL 20 2HG1 VAL 20 3.957 3.045 1.420 146 3HG1 VAL 20 3HG1 VAL 20 2.401 3.446 0.692 147 1HG2 VAL 20 1HG2 VAL 20 3.624 2.785 4.077 148 2HG2 VAL 20 2HG2 VAL 20 1.868 2.770 4.218 149 3HG2 VAL 20 3HG2 VAL 20 2.792 4.127 4.858 150 H ASN 21 H ASN 21 5.861 5.313 1.399 151 HA ASN 21 HA ASN 21 4.730 6.732 -0.923 152 1HB ASN 21 2HB ASN 21 7.539 5.894 -0.211 153 2HB ASN 21 1HB ASN 21 7.123 6.737 -1.700 154 1HD2 ASN 21 1HD2 ASN 21 5.333 7.466 1.236 155 2HD2 ASN 21 2HD2 ASN 21 6.017 8.998 1.497 156 H ALA 22 H ALA 22 3.627 5.403 -2.267 157 HA ALA 22 HA ALA 22 5.096 3.096 -3.425 158 1HB ALA 22 1HB ALA 22 3.613 2.258 -1.558 159 2HB ALA 22 2HB ALA 22 3.217 1.595 -3.143 160 3HB ALA 22 3HB ALA 22 2.231 2.887 -2.457 161 H MET 23 H MET 23 4.118 2.445 -5.521 162 HA MET 23 HA MET 23 3.237 3.020 -7.618 163 1HB MET 23 2HB MET 23 1.258 4.742 -6.124 164 2HB MET 23 1HB MET 23 1.024 3.898 -7.651 165 1HG MET 23 2HG MET 23 1.568 2.399 -5.082 166 2HG MET 23 1HG MET 23 -0.062 2.854 -5.564 167 1HE MET 23 1HE MET 23 2.209 0.240 -5.310 168 2HE MET 23 2HE MET 23 1.514 -0.995 -6.359 169 3HE MET 23 3HE MET 23 0.506 -0.210 -5.142 170 H GLY 24 H GLY 24 5.051 4.802 -5.928 171 1HA GLY 24 2HA GLY 24 6.261 6.781 -6.369 172 2HA GLY 24 1HA GLY 24 5.364 6.904 -7.883 173 H LYS 25 H LYS 25 3.654 6.509 -4.925 174 HA LYS 25 HA LYS 25 2.872 9.401 -4.910 175 1HB LYS 25 2HB LYS 25 1.081 6.969 -4.614 176 2HB LYS 25 1HB LYS 25 0.558 8.634 -4.397 177 1HG LYS 25 2HG LYS 25 1.886 8.564 -6.901 178 2HG LYS 25 1HG LYS 25 0.852 7.136 -6.858 179 1HD LYS 25 2HD LYS 25 -1.040 8.642 -6.114 180 2HD LYS 25 1HD LYS 25 0.015 10.017 -6.441 181 1HE LYS 25 2HE LYS 25 -0.657 7.890 -8.491 182 2HE LYS 25 1HE LYS 25 -1.515 9.425 -8.354 183 1HZ LYS 25 1HZ LYS 25 1.419 9.211 -8.725 184 2HZ LYS 25 2HZ LYS 25 0.468 10.616 -8.817 185 3HZ LYS 25 3HZ LYS 25 0.325 9.410 -10.005 186 H GLN 26 H GLN 26 1.023 8.968 -2.780 187 HA GLN 26 HA GLN 26 2.729 8.073 -0.504 188 1HB GLN 26 2HB GLN 26 1.330 10.723 -0.926 189 2HB GLN 26 1HB GLN 26 1.699 10.141 0.691 190 1HG GLN 26 2HG GLN 26 3.967 10.456 0.436 191 2HG GLN 26 1HG GLN 26 3.940 9.987 -1.259 192 1HE2 GLN 26 1HE2 GLN 26 1.523 12.294 -0.859 193 2HE2 GLN 26 2HE2 GLN 26 2.407 13.674 -1.292 194 H TRP 27 H TRP 27 1.410 7.067 1.149 195 HA TRP 27 HA TRP 27 -1.541 7.126 0.669 196 1HB TRP 27 2HB TRP 27 0.099 4.602 1.007 197 2HB TRP 27 1HB TRP 27 -1.644 4.692 0.763 198 HD1 TRP 27 HD TRP 27 1.675 5.311 -1.061 199 HE1 TRP 27 1HE TRP 27 1.224 5.329 -3.601 200 HE3 TRP 27 3HE TRP 27 -3.397 5.004 -1.037 201 HZ2 TRP 27 2HZ TRP 27 -1.018 5.225 -5.386 202 HZ3 TRP 27 3HZ TRP 27 -4.676 4.964 -3.148 203 HH2 TRP 27 HH TRP 27 -3.496 5.075 -5.327 204 H HIS 28 H HIS 28 -2.761 6.991 2.577 205 HA HIS 28 HA HIS 28 -1.488 7.494 5.090 206 1HB HIS 28 2HB HIS 28 -4.214 6.401 4.362 207 2HB HIS 28 1HB HIS 28 -3.703 6.487 6.044 208 HD2 HIS 28 2HD HIS 28 -2.744 9.333 6.640 209 HE1 HIS 28 1HE HIS 28 -5.688 10.891 4.045 210 HE2 HIS 28 2HE HIS 28 -4.061 11.466 5.909 211 H VAL 29 H VAL 29 -0.494 6.048 6.485 212 HA VAL 29 HA VAL 29 0.254 3.462 5.679 213 HB VAL 29 HB VAL 29 0.022 4.801 8.371 214 1HG1 VAL 29 1HG1 VAL 29 0.720 1.927 7.763 215 2HG1 VAL 29 2HG1 VAL 29 -0.398 2.551 8.975 216 3HG1 VAL 29 3HG1 VAL 29 1.341 2.748 9.197 217 1HG2 VAL 29 1HG2 VAL 29 1.829 5.266 6.581 218 2HG2 VAL 29 2HG2 VAL 29 2.452 3.664 6.991 219 3HG2 VAL 29 3HG2 VAL 29 2.374 4.919 8.221 220 H GLU 30 H GLU 30 -2.738 4.636 6.753 221 HA GLU 30 HA GLU 30 -3.705 1.990 7.630 222 1HB GLU 30 2HB GLU 30 -4.389 3.826 9.024 223 2HB GLU 30 1HB GLU 30 -4.948 4.749 7.629 224 1HG GLU 30 2HG GLU 30 -6.801 3.655 8.921 225 2HG GLU 30 1HG GLU 30 -6.745 3.169 7.228 226 H HIS 31 H HIS 31 -3.952 4.178 4.883 227 HA HIS 31 HA HIS 31 -6.139 2.512 3.738 228 1HB HIS 31 2HB HIS 31 -4.917 5.113 2.761 229 2HB HIS 31 1HB HIS 31 -6.247 4.263 1.981 230 HD2 HIS 31 2HD HIS 31 -7.745 3.529 4.976 231 HE1 HIS 31 1HE HIS 31 -8.206 7.718 5.137 232 HE2 HIS 31 2HE HIS 31 -9.009 5.512 6.096 233 H PHE 32 H PHE 32 -2.770 2.548 3.674 234 HA PHE 32 HA PHE 32 -2.559 1.740 0.859 235 1HB PHE 32 2HB PHE 32 -0.652 2.842 2.196 236 2HB PHE 32 1HB PHE 32 -0.451 1.273 2.980 237 HD1 PHE 32 1HD PHE 32 1.153 -0.132 2.026 238 HD2 PHE 32 2HD PHE 32 -1.029 2.566 -0.512 239 HE1 PHE 32 1HE PHE 32 2.388 -0.975 0.047 240 HE2 PHE 32 2HE PHE 32 0.205 1.717 -2.476 241 HZ PHE 32 HZ PHE 32 1.915 -0.055 -2.199 242 H VAL 33 H VAL 33 -3.579 -0.124 0.417 243 HA VAL 33 HA VAL 33 -3.046 -2.469 2.189 244 HB VAL 33 HB VAL 33 -5.366 -3.167 1.855 245 1HG1 VAL 33 1HG1 VAL 33 -5.687 -2.000 3.757 246 2HG1 VAL 33 2HG1 VAL 33 -6.288 -0.682 2.757 247 3HG1 VAL 33 3HG1 VAL 33 -4.596 -0.714 3.242 248 1HG2 VAL 33 1HG2 VAL 33 -6.942 -1.520 0.765 249 2HG2 VAL 33 2HG2 VAL 33 -5.781 -2.253 -0.344 250 3HG2 VAL 33 3HG2 VAL 33 -5.525 -0.607 0.243 251 H CYS 34 H CYS 34 -3.837 -4.497 1.060 252 HA CYS 34 HA CYS 34 -2.374 -4.907 -1.359 253 1HB CYS 34 2HB CYS 34 -2.737 -6.809 -0.051 254 2HB CYS 34 1HB CYS 34 -4.439 -6.456 0.182 255 H ALA 35 H ALA 35 -3.155 -5.157 -3.509 256 HA ALA 35 HA ALA 35 -5.629 -3.635 -4.062 257 1HB ALA 35 1HB ALA 35 -3.357 -3.329 -5.249 258 2HB ALA 35 2HB ALA 35 -4.801 -3.414 -6.265 259 3HB ALA 35 3HB ALA 35 -3.755 -4.823 -6.099 260 H LYS 36 H LYS 36 -5.688 -6.404 -2.936 261 HA LYS 36 HA LYS 36 -7.445 -7.606 -5.028 262 1HB LYS 36 2HB LYS 36 -5.233 -8.759 -5.096 263 2HB LYS 36 1HB LYS 36 -5.415 -9.169 -3.397 264 1HG LYS 36 2HG LYS 36 -6.094 -11.052 -4.823 265 2HG LYS 36 1HG LYS 36 -7.474 -10.425 -3.925 266 1HD LYS 36 2HD LYS 36 -8.479 -9.536 -5.812 267 2HD LYS 36 1HD LYS 36 -6.941 -9.261 -6.630 268 1HE LYS 36 2HE LYS 36 -7.892 -12.067 -6.089 269 2HE LYS 36 1HE LYS 36 -8.487 -11.178 -7.491 270 1HZ LYS 36 1HZ LYS 36 -6.040 -10.718 -7.952 271 2HZ LYS 36 2HZ LYS 36 -6.613 -12.288 -8.262 272 3HZ LYS 36 3HZ LYS 36 -5.714 -11.971 -6.856 273 H CYS 37 H CYS 37 -6.537 -7.324 -1.636 274 HA CYS 37 HA CYS 37 -9.257 -8.362 -0.905 275 1HB CYS 37 2HB CYS 37 -8.263 -9.393 1.078 276 2HB CYS 37 1HB CYS 37 -7.440 -9.976 -0.366 277 H GLU 38 H GLU 38 -6.914 -5.866 -0.618 278 HA GLU 38 HA GLU 38 -7.063 -3.800 0.415 279 1HB GLU 38 2HB GLU 38 -9.728 -4.556 1.599 280 2HB GLU 38 1HB GLU 38 -9.143 -2.964 1.124 281 1HG GLU 38 2HG GLU 38 -9.010 -4.097 -1.280 282 2HG GLU 38 1HG GLU 38 -10.227 -5.170 -0.591 283 H LYS 39 H LYS 39 -5.605 -5.732 1.668 284 HA LYS 39 HA LYS 39 -6.363 -5.561 4.542 285 1HB LYS 39 2HB LYS 39 -5.663 -7.776 3.405 286 2HB LYS 39 1HB LYS 39 -4.028 -7.117 3.434 287 1HG LYS 39 2HG LYS 39 -5.568 -6.952 5.984 288 2HG LYS 39 1HG LYS 39 -5.062 -8.554 5.478 289 1HD LYS 39 2HD LYS 39 -2.730 -7.759 5.271 290 2HD LYS 39 1HD LYS 39 -3.239 -6.155 5.799 291 1HE LYS 39 2HE LYS 39 -2.274 -7.573 7.643 292 2HE LYS 39 1HE LYS 39 -3.914 -7.009 7.960 293 1HZ LYS 39 1HZ LYS 39 -4.803 -9.095 7.418 294 2HZ LYS 39 2HZ LYS 39 -3.457 -9.434 8.399 295 3HZ LYS 39 3HZ LYS 39 -3.357 -9.635 6.714 296 HA PRO 40 HA PRO 40 -3.436 -2.137 4.317 297 1HB PRO 40 2HB PRO 40 -3.913 -1.453 7.000 298 2HB PRO 40 1HB PRO 40 -4.649 -0.703 5.601 299 1HG PRO 40 2HG PRO 40 -5.853 -2.473 7.548 300 2HG PRO 40 1HG PRO 40 -6.645 -1.612 6.232 301 1HD PRO 40 2HD PRO 40 -6.050 -4.424 6.396 302 2HD PRO 40 1HD PRO 40 -6.807 -3.564 5.047 303 H PHE 41 H PHE 41 -1.345 -2.023 4.822 304 HA PHE 41 HA PHE 41 -0.242 -4.048 6.717 305 1HB PHE 41 2HB PHE 41 1.513 -2.226 5.113 306 2HB PHE 41 1HB PHE 41 1.777 -3.900 5.584 307 HD1 PHE 41 1HD PHE 41 -0.157 -1.695 3.310 308 HD2 PHE 41 2HD PHE 41 1.072 -5.705 4.216 309 HE1 PHE 41 1HE PHE 41 -1.012 -2.456 1.107 310 HE2 PHE 41 2HE PHE 41 0.215 -6.464 2.026 311 HZ PHE 41 HZ PHE 41 -0.826 -4.848 0.465 312 H LEU 42 H LEU 42 -1.475 -2.247 8.215 313 HA LEU 42 HA LEU 42 -0.487 0.226 8.879 314 1HB LEU 42 2HB LEU 42 -1.391 -2.079 10.575 315 2HB LEU 42 1HB LEU 42 -0.707 -0.666 11.374 316 HG LEU 42 HG LEU 42 -2.349 0.784 10.226 317 1HD1 LEU 42 1HD1 LEU 42 -2.651 -0.371 8.182 318 2HD1 LEU 42 2HD1 LEU 42 -4.217 -0.408 8.998 319 3HD1 LEU 42 3HD1 LEU 42 -3.181 -1.839 9.006 320 1HD2 LEU 42 1HD2 LEU 42 -3.157 0.046 12.333 321 2HD2 LEU 42 2HD2 LEU 42 -3.388 -1.605 11.756 322 3HD2 LEU 42 3HD2 LEU 42 -4.473 -0.322 11.217 323 H GLY 43 H GLY 43 0.900 -2.812 10.109 324 1HA GLY 43 2HA GLY 43 3.580 -1.493 10.148 325 2HA GLY 43 1HA GLY 43 3.016 -2.383 11.561 326 H HIS 44 H HIS 44 2.263 -3.380 8.292 327 HA HIS 44 HA HIS 44 4.030 -5.772 8.694 328 1HB HIS 44 2HB HIS 44 1.686 -5.842 6.827 329 2HB HIS 44 1HB HIS 44 2.397 -7.143 7.782 330 HD1 HIS 44 1HD HIS 44 -0.689 -5.893 7.713 331 HD2 HIS 44 2HD HIS 44 2.144 -5.676 10.762 332 HE1 HIS 44 1HE HIS 44 -1.974 -5.485 9.856 333 H ARG 45 H ARG 45 4.368 -6.849 6.374 334 HA ARG 45 HA ARG 45 5.633 -4.740 4.711 335 1HB ARG 45 2HB ARG 45 7.129 -6.529 5.168 336 2HB ARG 45 1HB ARG 45 5.894 -7.749 4.863 337 1HG ARG 45 2HG ARG 45 5.944 -7.360 2.510 338 2HG ARG 45 1HG ARG 45 6.865 -5.868 2.703 339 1HD ARG 45 2HD ARG 45 8.741 -7.259 3.675 340 2HD ARG 45 1HD ARG 45 7.829 -8.695 3.207 341 HE ARG 45 HE ARG 45 7.976 -7.216 0.870 342 1HH1 ARG 45 1HH2 ARG 45 10.196 -8.391 3.231 343 2HH1 ARG 45 2HH2 ARG 45 11.502 -8.573 2.106 344 1HH2 ARG 45 1HH1 ARG 45 9.667 -7.448 -0.612 345 2HH2 ARG 45 2HH1 ARG 45 11.202 -8.039 -0.070 346 H HIS 46 H HIS 46 5.088 -4.448 2.511 347 HA HIS 46 HA HIS 46 2.598 -5.860 1.622 348 1HB HIS 46 2HB HIS 46 2.339 -3.797 0.115 349 2HB HIS 46 1HB HIS 46 2.010 -3.582 1.827 350 HD1 HIS 46 1HD HIS 46 3.791 -2.269 3.237 351 HD2 HIS 46 2HD HIS 46 4.653 -2.475 -0.839 352 HE1 HIS 46 1HE HIS 46 5.645 -0.595 2.811 353 H TYR 47 H TYR 47 2.424 -5.894 -0.812 354 HA TYR 47 HA TYR 47 5.094 -6.272 -2.098 355 1HB TYR 47 2HB TYR 47 2.725 -8.118 -2.427 356 2HB TYR 47 1HB TYR 47 4.372 -8.390 -2.966 357 HD1 TYR 47 1HD TYR 47 5.866 -9.563 -1.562 358 HD2 TYR 47 2HD TYR 47 2.408 -7.677 0.152 359 HE1 TYR 47 1HE TYR 47 6.443 -10.485 0.666 360 HE2 TYR 47 2HE TYR 47 3.001 -8.598 2.367 361 HH TYR 47 HH TYR 47 5.977 -9.780 3.121 362 H GLU 48 H GLU 48 5.187 -5.483 -4.193 363 HA GLU 48 HA GLU 48 2.700 -4.179 -5.218 364 1HB GLU 48 2HB GLU 48 5.633 -3.586 -5.483 365 2HB GLU 48 1HB GLU 48 4.501 -2.974 -6.690 366 1HG GLU 48 2HG GLU 48 3.248 -1.779 -5.029 367 2HG GLU 48 1HG GLU 48 4.128 -2.558 -3.715 368 H ARG 49 H ARG 49 2.075 -4.406 -7.367 369 HA ARG 49 HA ARG 49 3.628 -6.171 -9.152 370 1HB ARG 49 2HB ARG 49 2.208 -7.710 -7.802 371 2HB ARG 49 1HB ARG 49 0.784 -6.868 -8.396 372 1HG ARG 49 2HG ARG 49 2.380 -7.492 -10.674 373 2HG ARG 49 1HG ARG 49 2.286 -8.952 -9.696 374 1HD ARG 49 2HD ARG 49 0.416 -8.703 -11.366 375 2HD ARG 49 1HD ARG 49 -0.116 -8.893 -9.700 376 HE ARG 49 HE ARG 49 0.033 -6.145 -10.052 377 1HH1 ARG 49 1HH2 ARG 49 -1.473 -8.810 -11.639 378 2HH1 ARG 49 2HH2 ARG 49 -2.829 -7.886 -12.194 379 1HH2 ARG 49 1HH1 ARG 49 -1.730 -4.922 -10.768 380 2HH2 ARG 49 2HH1 ARG 49 -2.974 -5.684 -11.701 381 H LYS 50 H LYS 50 3.454 -5.431 -11.181 382 HA LYS 50 HA LYS 50 2.793 -4.098 -12.974 383 1HB LYS 50 2HB LYS 50 0.117 -5.053 -11.929 384 2HB LYS 50 1HB LYS 50 0.316 -4.196 -13.456 385 1HG LYS 50 2HG LYS 50 2.044 -6.000 -14.059 386 2HG LYS 50 1HG LYS 50 1.404 -6.908 -12.689 387 1HD LYS 50 2HD LYS 50 -0.847 -6.839 -13.664 388 2HD LYS 50 1HD LYS 50 -0.245 -5.882 -15.019 389 1HE LYS 50 2HE LYS 50 0.860 -8.614 -14.327 390 2HE LYS 50 1HE LYS 50 -0.470 -8.380 -15.462 391 1HZ LYS 50 1HZ LYS 50 0.872 -7.393 -16.985 392 2HZ LYS 50 2HZ LYS 50 2.019 -8.411 -16.253 393 3HZ LYS 50 3HZ LYS 50 1.942 -6.767 -15.827 394 H GLY 51 H GLY 51 2.977 -2.917 -10.201 395 1HA GLY 51 2HA GLY 51 2.888 -0.612 -9.606 396 2HA GLY 51 1HA GLY 51 1.814 -0.337 -10.971 397 H LEU 52 H LEU 52 1.280 -2.867 -8.641 398 HA LEU 52 HA LEU 52 -0.801 -1.271 -7.267 399 1HB LEU 52 2HB LEU 52 -1.275 -3.742 -8.910 400 2HB LEU 52 1HB LEU 52 -2.299 -3.411 -7.517 401 HG LEU 52 HG LEU 52 -1.831 -1.531 -9.851 402 1HD1 LEU 52 1HD1 LEU 52 -3.998 -2.145 -10.608 403 2HD1 LEU 52 2HD1 LEU 52 -4.386 -2.952 -9.088 404 3HD1 LEU 52 3HD1 LEU 52 -3.220 -3.675 -10.195 405 1HD2 LEU 52 1HD2 LEU 52 -2.429 -0.014 -8.240 406 2HD2 LEU 52 2HD2 LEU 52 -3.110 -1.249 -7.180 407 3HD2 LEU 52 3HD2 LEU 52 -4.054 -0.633 -8.538 408 H ALA 53 H ALA 53 -1.122 -1.929 -5.151 409 HA ALA 53 HA ALA 53 0.984 -3.576 -4.026 410 1HB ALA 53 1HB ALA 53 -0.322 -3.206 -1.870 411 2HB ALA 53 2HB ALA 53 -1.460 -2.258 -2.836 412 3HB ALA 53 3HB ALA 53 0.222 -1.737 -2.691 413 H TYR 54 H TYR 54 0.712 -5.519 -2.842 414 HA TYR 54 HA TYR 54 -1.864 -6.910 -2.961 415 1HB TYR 54 2HB TYR 54 0.565 -7.808 -4.509 416 2HB TYR 54 1HB TYR 54 -0.685 -8.934 -4.000 417 HD1 TYR 54 1HD TYR 54 0.225 -6.307 -6.301 418 HD2 TYR 54 2HD TYR 54 -3.048 -8.600 -4.751 419 HE1 TYR 54 1HE TYR 54 -1.148 -5.618 -8.209 420 HE2 TYR 54 2HE TYR 54 -4.449 -7.881 -6.692 421 HH TYR 54 HH TYR 54 -3.755 -7.055 -9.244 422 H CYS 55 H CYS 55 -1.996 -8.404 -1.253 423 HA CYS 55 HA CYS 55 -0.110 -8.178 0.845 424 1HB CYS 55 2HB CYS 55 -2.035 -10.441 0.212 425 2HB CYS 55 1HB CYS 55 -1.118 -10.330 1.711 426 H GLU 56 H GLU 56 1.032 -10.356 1.663 427 HA GLU 56 HA GLU 56 3.120 -11.002 -0.194 428 1HB GLU 56 2HB GLU 56 3.240 -11.209 2.337 429 2HB GLU 56 1HB GLU 56 2.264 -12.662 2.192 430 1HG GLU 56 2HG GLU 56 3.940 -13.807 0.968 431 2HG GLU 56 1HG GLU 56 4.826 -12.321 0.632 432 H THR 57 H THR 57 0.107 -12.604 0.689 433 HA THR 57 HA THR 57 0.700 -14.945 -0.973 434 HB THR 57 HB THR 57 -1.764 -14.164 0.599 435 HG1 THR 57 1HG THR 57 -0.376 -16.380 1.320 436 1HG2 THR 57 1HG2 THR 57 -1.077 -16.629 -1.007 437 2HG2 THR 57 2HG2 THR 57 -2.506 -15.606 -1.148 438 3HG2 THR 57 3HG2 THR 57 -2.299 -16.640 0.265 439 H HIS 58 H HIS 58 -1.600 -12.211 -1.119 440 HA HIS 58 HA HIS 58 -2.824 -13.164 -3.523 441 1HB HIS 58 2HB HIS 58 -2.641 -10.353 -2.412 442 2HB HIS 58 1HB HIS 58 -3.707 -10.856 -3.721 443 HD2 HIS 58 2HD HIS 58 -4.778 -13.689 -2.411 444 HE1 HIS 58 1HE HIS 58 -6.083 -11.322 0.829 445 HE2 HIS 58 2HE HIS 58 -6.317 -13.575 -0.312 446 H TYR 59 H TYR 59 -0.166 -10.905 -2.875 447 HA TYR 59 HA TYR 59 0.395 -10.105 -5.493 448 1HB TYR 59 2HB TYR 59 1.673 -9.239 -3.626 449 2HB TYR 59 1HB TYR 59 2.225 -10.841 -3.189 450 HD1 TYR 59 1HD TYR 59 1.956 -9.479 -6.634 451 HD2 TYR 59 2HD TYR 59 4.585 -10.591 -3.425 452 HE1 TYR 59 1HE TYR 59 3.883 -9.248 -8.128 453 HE2 TYR 59 2HE TYR 59 6.530 -10.341 -4.939 454 HH TYR 59 HH TYR 59 6.711 -10.524 -7.734 455 H ASN 60 H ASN 60 1.711 -12.812 -3.668 456 HA ASN 60 HA ASN 60 2.949 -14.041 -5.905 457 1HB ASN 60 2HB ASN 60 2.140 -15.047 -3.183 458 2HB ASN 60 1HB ASN 60 2.839 -16.135 -4.381 459 1HD2 ASN 60 1HD2 ASN 60 3.544 -13.469 -2.199 460 2HD2 ASN 60 2HD2 ASN 60 5.219 -13.440 -2.472 461 H GLN 61 H GLN 61 -0.206 -14.601 -4.333 462 HA GLN 61 HA GLN 61 -1.034 -16.770 -5.980 463 1HB GLN 61 2HB GLN 61 -2.306 -15.616 -3.994 464 2HB GLN 61 1HB GLN 61 -2.954 -14.560 -5.251 465 1HG GLN 61 2HG GLN 61 -4.529 -16.328 -5.070 466 2HG GLN 61 1HG GLN 61 -3.577 -16.716 -6.503 467 1HE2 GLN 61 1HE2 GLN 61 -4.881 -18.823 -5.195 468 2HE2 GLN 61 2HE2 GLN 61 -3.741 -19.796 -4.397 469 H LEU 62 H LEU 62 -0.870 -13.341 -6.486 470 HA LEU 62 HA LEU 62 -2.146 -13.393 -9.108 471 1HB LEU 62 2HB LEU 62 -0.820 -11.359 -7.367 472 2HB LEU 62 1HB LEU 62 -0.861 -11.027 -9.092 473 HG LEU 62 HG LEU 62 -3.429 -11.733 -8.777 474 1HD1 LEU 62 1HD1 LEU 62 -2.602 -10.612 -6.090 475 2HD1 LEU 62 2HD1 LEU 62 -3.270 -12.219 -6.391 476 3HD1 LEU 62 3HD1 LEU 62 -4.268 -10.790 -6.637 477 1HD2 LEU 62 1HD2 LEU 62 -2.772 -9.625 -9.712 478 2HD2 LEU 62 2HD2 LEU 62 -2.154 -9.072 -8.156 479 3HD2 LEU 62 3HD2 LEU 62 -3.891 -9.282 -8.393 480 H PHE 63 H PHE 63 1.138 -13.434 -7.838 481 HA PHE 63 HA PHE 63 2.134 -14.431 -10.411 482 1HB PHE 63 2HB PHE 63 2.675 -11.656 -9.420 483 2HB PHE 63 1HB PHE 63 3.965 -12.514 -10.258 484 HD1 PHE 63 1HD PHE 63 0.734 -10.875 -10.570 485 HD2 PHE 63 2HD PHE 63 3.622 -13.316 -12.601 486 HE1 PHE 63 1HE PHE 63 -0.353 -10.355 -12.744 487 HE2 PHE 63 2HE PHE 63 2.541 -12.795 -14.772 488 HZ PHE 63 HZ PHE 63 0.552 -11.315 -14.843 489 H GLY 64 H GLY 64 3.925 -12.662 -7.956 490 1HA GLY 64 2HA GLY 64 5.271 -13.516 -6.177 491 2HA GLY 64 1HA GLY 64 4.860 -15.155 -6.685 492 H ASP 65 H ASP 65 6.027 -12.698 -8.903 493 HA ASP 65 HA ASP 65 7.888 -12.761 -10.342 494 1HB ASP 65 2HB ASP 65 9.061 -13.494 -7.651 495 2HB ASP 65 1HB ASP 65 10.062 -13.230 -9.080 496 H VAL 66 H VAL 66 6.395 -14.989 -10.767 497 HA VAL 66 HA VAL 66 8.414 -16.937 -11.569 498 HB VAL 66 HB VAL 66 7.989 -17.563 -9.187 499 1HG1 VAL 66 1HG1 VAL 66 5.829 -18.289 -8.471 500 2HG1 VAL 66 2HG1 VAL 66 5.198 -18.265 -10.118 501 3HG1 VAL 66 3HG1 VAL 66 5.567 -16.750 -9.293 502 1HG2 VAL 66 1HG2 VAL 66 7.542 -19.936 -9.641 503 2HG2 VAL 66 2HG2 VAL 66 8.594 -19.270 -10.890 504 3HG2 VAL 66 3HG2 VAL 66 6.880 -19.523 -11.223 Start of MODEL 2 1 1H GLY 1 1HT GLY 1 3.181 27.978 -2.130 2 2H GLY 1 2HT GLY 1 3.339 26.304 -1.888 3 3H GLY 1 3HT GLY 1 4.221 27.392 -0.926 4 1HA GLY 1 2HA GLY 1 2.027 28.290 -0.126 5 2HA GLY 1 1HA GLY 1 1.306 26.873 -0.892 6 H SER 2 H SER 2 0.911 25.334 0.615 7 HA SER 2 HA SER 2 1.937 25.199 3.214 8 1HB SER 2 2HB SER 2 0.041 23.825 2.460 9 2HB SER 2 1HB SER 2 1.117 22.884 1.431 10 HG SER 2 HG SER 2 2.266 22.329 3.373 11 H MET 3 H MET 3 3.556 23.715 4.148 12 HA MET 3 HA MET 3 6.087 23.881 2.848 13 1HB MET 3 2HB MET 3 5.537 23.512 5.360 14 2HB MET 3 1HB MET 3 5.444 21.801 4.939 15 1HG MET 3 2HG MET 3 7.701 22.215 5.653 16 2HG MET 3 1HG MET 3 7.746 22.040 3.899 17 1HE MET 3 1HE MET 3 9.289 23.843 6.604 18 2HE MET 3 2HE MET 3 10.235 24.873 5.533 19 3HE MET 3 3HE MET 3 10.111 23.147 5.201 20 H GLY 4 H GLY 4 3.482 21.842 2.224 21 1HA GLY 4 2HA GLY 4 4.204 20.511 0.040 22 2HA GLY 4 1HA GLY 4 5.175 19.621 1.215 23 H VAL 5 H VAL 5 3.893 18.764 3.143 24 HA VAL 5 HA VAL 5 2.208 17.347 3.911 25 HB VAL 5 HB VAL 5 0.778 19.605 2.600 26 1HG1 VAL 5 1HG1 VAL 5 -0.480 16.936 3.240 27 2HG1 VAL 5 2HG1 VAL 5 -0.643 17.891 1.762 28 3HG1 VAL 5 3HG1 VAL 5 -1.403 18.438 3.256 29 1HG2 VAL 5 1HG2 VAL 5 0.700 18.224 5.298 30 2HG2 VAL 5 2HG2 VAL 5 -0.363 19.562 4.861 31 3HG2 VAL 5 3HG2 VAL 5 1.386 19.809 4.930 32 HA PRO 6 HA PRO 6 1.964 14.586 0.397 33 1HB PRO 6 2HB PRO 6 1.584 12.370 2.114 34 2HB PRO 6 1HB PRO 6 3.130 12.933 1.475 35 1HG PRO 6 2HG PRO 6 2.232 13.054 4.206 36 2HG PRO 6 1HG PRO 6 3.765 13.618 3.540 37 1HD PRO 6 2HD PRO 6 1.416 15.185 4.322 38 2HD PRO 6 1HD PRO 6 3.053 15.732 3.951 39 H ILE 7 H ILE 7 0.310 13.038 -0.331 40 HA ILE 7 HA ILE 7 -2.288 13.353 1.079 41 HB ILE 7 HB ILE 7 -1.667 14.024 -1.792 42 1HG1 ILE 7 2HG1 ILE 7 -3.294 15.366 0.371 43 2HG1 ILE 7 1HG1 ILE 7 -1.610 15.734 0.053 44 1HG2 ILE 7 1HG2 ILE 7 -4.228 14.175 -1.976 45 2HG2 ILE 7 2HG2 ILE 7 -4.276 13.162 -0.532 46 3HG2 ILE 7 3HG2 ILE 7 -3.532 12.555 -2.011 47 1HD1 ILE 7 1HD1 ILE 7 -3.473 17.220 -1.017 48 2HD1 ILE 7 2HD1 ILE 7 -3.642 15.886 -2.163 49 3HD1 ILE 7 3HD1 ILE 7 -2.100 16.730 -2.012 50 H CYS 8 H CYS 8 -3.148 11.453 1.429 51 HA CYS 8 HA CYS 8 -2.019 9.035 0.508 52 1HB CYS 8 2HB CYS 8 -3.269 9.010 2.535 53 2HB CYS 8 1HB CYS 8 -4.692 9.675 1.743 54 H GLY 9 H GLY 9 -2.067 8.254 -1.477 55 1HA GLY 9 2HA GLY 9 -3.761 9.213 -3.556 56 2HA GLY 9 1HA GLY 9 -2.791 7.747 -3.646 57 H ALA 10 H ALA 10 -4.590 7.396 -0.927 58 HA ALA 10 HA ALA 10 -6.446 5.571 -2.294 59 1HB ALA 10 1HB ALA 10 -5.153 5.284 0.019 60 2HB ALA 10 2HB ALA 10 -6.738 4.558 -0.236 61 3HB ALA 10 3HB ALA 10 -6.595 6.076 0.651 62 H CYS 11 H CYS 11 -6.773 8.274 0.009 63 HA CYS 11 HA CYS 11 -9.555 8.678 -1.022 64 1HB CYS 11 2HB CYS 11 -9.698 10.095 1.168 65 2HB CYS 11 1HB CYS 11 -9.745 8.338 1.297 66 H ARG 12 H ARG 12 -6.506 9.818 -1.476 67 HA ARG 12 HA ARG 12 -5.652 11.830 -2.302 68 1HB ARG 12 2HB ARG 12 -8.518 12.636 -2.832 69 2HB ARG 12 1HB ARG 12 -7.072 13.083 -3.739 70 1HG ARG 12 2HG ARG 12 -8.336 10.332 -3.589 71 2HG ARG 12 1HG ARG 12 -8.276 11.390 -4.998 72 1HD ARG 12 2HD ARG 12 -5.717 11.305 -4.743 73 2HD ARG 12 1HD ARG 12 -5.990 9.946 -3.651 74 HE ARG 12 HE ARG 12 -7.442 9.276 -5.913 75 1HH1 ARG 12 1HH2 ARG 12 -4.210 10.253 -5.212 76 2HH1 ARG 12 2HH2 ARG 12 -3.513 9.357 -6.520 77 1HH2 ARG 12 1HH1 ARG 12 -6.550 8.099 -7.626 78 2HH2 ARG 12 2HH1 ARG 12 -4.839 8.137 -7.886 79 H ARG 13 H ARG 13 -6.096 11.669 0.466 80 HA ARG 13 HA ARG 13 -7.013 14.437 1.127 81 1HB ARG 13 2HB ARG 13 -7.232 11.826 2.587 82 2HB ARG 13 1HB ARG 13 -7.113 13.314 3.527 83 1HG ARG 13 2HG ARG 13 -9.031 14.235 2.197 84 2HG ARG 13 1HG ARG 13 -9.198 12.656 1.427 85 1HD ARG 13 2HD ARG 13 -9.318 13.116 4.420 86 2HD ARG 13 1HD ARG 13 -10.735 12.968 3.380 87 HE ARG 13 HE ARG 13 -9.275 10.678 2.833 88 1HH1 ARG 13 1HH2 ARG 13 -10.487 12.260 5.645 89 2HH1 ARG 13 2HH2 ARG 13 -10.705 10.793 6.539 90 1HH2 ARG 13 1HH1 ARG 13 -9.554 8.753 3.984 91 2HH2 ARG 13 2HH1 ARG 13 -10.177 8.807 5.599 92 HA PRO 14 HA PRO 14 -2.827 15.337 2.111 93 1HB PRO 14 2HB PRO 14 -3.566 16.947 4.404 94 2HB PRO 14 1HB PRO 14 -2.980 17.470 2.825 95 1HG PRO 14 2HG PRO 14 -5.634 17.718 3.816 96 2HG PRO 14 1HG PRO 14 -5.052 18.106 2.188 97 1HD PRO 14 2HD PRO 14 -6.724 15.872 2.992 98 2HD PRO 14 1HD PRO 14 -6.191 16.322 1.359 99 H ILE 15 H ILE 15 -1.652 13.726 2.992 100 HA ILE 15 HA ILE 15 -2.503 12.316 5.391 101 HB ILE 15 HB ILE 15 0.166 12.286 3.940 102 1HG1 ILE 15 2HG1 ILE 15 -1.855 10.083 3.850 103 2HG1 ILE 15 1HG1 ILE 15 -2.133 11.512 2.857 104 1HG2 ILE 15 1HG2 ILE 15 -0.971 10.695 6.228 105 2HG2 ILE 15 2HG2 ILE 15 0.643 11.378 6.053 106 3HG2 ILE 15 3HG2 ILE 15 0.184 9.949 5.123 107 1HD1 ILE 15 1HD1 ILE 15 0.593 10.281 2.813 108 2HD1 ILE 15 2HD1 ILE 15 -0.273 11.127 1.536 109 3HD1 ILE 15 3HD1 ILE 15 -0.702 9.464 1.936 110 H GLU 16 H GLU 16 -1.224 12.289 7.442 111 HA GLU 16 HA GLU 16 0.628 14.509 7.908 112 1HB GLU 16 2HB GLU 16 -0.952 15.419 9.778 113 2HB GLU 16 1HB GLU 16 -1.239 15.908 8.109 114 1HG GLU 16 2HG GLU 16 -3.060 14.434 7.859 115 2HG GLU 16 1HG GLU 16 -2.588 13.469 9.258 116 H GLY 17 H GLY 17 1.449 12.143 8.342 117 1HA GLY 17 2HA GLY 17 1.969 11.918 11.144 118 2HA GLY 17 1HA GLY 17 0.771 10.706 10.679 119 H ARG 18 H ARG 18 1.426 8.951 9.530 120 HA ARG 18 HA ARG 18 4.313 8.832 8.746 121 1HB ARG 18 2HB ARG 18 2.436 6.723 9.818 122 2HB ARG 18 1HB ARG 18 3.880 6.288 8.902 123 1HG ARG 18 2HG ARG 18 5.198 7.744 10.523 124 2HG ARG 18 1HG ARG 18 3.739 7.808 11.510 125 1HD ARG 18 2HD ARG 18 4.997 5.213 10.599 126 2HD ARG 18 1HD ARG 18 5.388 5.980 12.137 127 HE ARG 18 HE ARG 18 2.623 5.826 12.165 128 1HH1 ARG 18 1HH2 ARG 18 5.244 3.648 11.641 129 2HH1 ARG 18 2HH2 ARG 18 4.404 2.274 12.279 130 1HH2 ARG 18 1HH1 ARG 18 1.511 4.043 13.001 131 2HH2 ARG 18 2HH1 ARG 18 2.291 2.498 13.048 132 H VAL 19 H VAL 19 4.543 8.860 6.597 133 HA VAL 19 HA VAL 19 2.182 8.284 4.898 134 HB VAL 19 HB VAL 19 4.882 9.415 4.115 135 1HG1 VAL 19 1HG1 VAL 19 4.007 8.978 2.052 136 2HG1 VAL 19 2HG1 VAL 19 3.009 10.398 2.375 137 3HG1 VAL 19 3HG1 VAL 19 2.368 8.786 2.679 138 1HG2 VAL 19 1HG2 VAL 19 2.326 10.955 4.569 139 2HG2 VAL 19 2HG2 VAL 19 3.957 11.590 4.358 140 3HG2 VAL 19 3HG2 VAL 19 3.526 10.744 5.843 141 H VAL 20 H VAL 20 2.336 6.924 3.042 142 HA VAL 20 HA VAL 20 4.551 4.915 3.167 143 HB VAL 20 HB VAL 20 1.604 4.560 2.647 144 1HG1 VAL 20 1HG1 VAL 20 2.476 2.137 1.998 145 2HG1 VAL 20 2HG1 VAL 20 3.923 3.026 1.516 146 3HG1 VAL 20 3HG1 VAL 20 2.367 3.403 0.775 147 1HG2 VAL 20 1HG2 VAL 20 2.640 4.216 4.922 148 2HG2 VAL 20 2HG2 VAL 20 3.590 2.907 4.225 149 3HG2 VAL 20 3HG2 VAL 20 1.832 2.791 4.274 150 H ASN 21 H ASN 21 5.849 5.369 1.453 151 HA ASN 21 HA ASN 21 4.728 6.731 -0.894 152 1HB ASN 21 2HB ASN 21 7.508 5.925 -0.073 153 2HB ASN 21 1HB ASN 21 7.167 6.587 -1.670 154 1HD2 ASN 21 1HD2 ASN 21 5.870 7.453 1.586 155 2HD2 ASN 21 2HD2 ASN 21 6.300 9.092 1.481 156 H ALA 22 H ALA 22 3.622 5.413 -2.242 157 HA ALA 22 HA ALA 22 5.062 3.088 -3.387 158 1HB ALA 22 1HB ALA 22 2.194 2.852 -2.454 159 2HB ALA 22 2HB ALA 22 3.558 2.323 -1.466 160 3HB ALA 22 3HB ALA 22 3.251 1.563 -3.028 161 H MET 23 H MET 23 4.053 2.421 -5.465 162 HA MET 23 HA MET 23 3.143 2.978 -7.554 163 1HB MET 23 2HB MET 23 1.194 4.725 -6.047 164 2HB MET 23 1HB MET 23 0.935 3.874 -7.567 165 1HG MET 23 2HG MET 23 1.519 2.367 -5.015 166 2HG MET 23 1HG MET 23 -0.119 2.859 -5.435 167 1HE MET 23 1HE MET 23 0.477 -0.247 -5.063 168 2HE MET 23 2HE MET 23 2.158 0.224 -5.309 169 3HE MET 23 3HE MET 23 1.433 -1.000 -6.350 170 H GLY 24 H GLY 24 4.968 4.784 -5.880 171 1HA GLY 24 2HA GLY 24 6.191 6.745 -6.365 172 2HA GLY 24 1HA GLY 24 5.276 6.858 -7.871 173 H LYS 25 H LYS 25 3.659 6.508 -4.842 174 HA LYS 25 HA LYS 25 2.865 9.396 -4.856 175 1HB LYS 25 2HB LYS 25 1.058 6.982 -4.497 176 2HB LYS 25 1HB LYS 25 0.555 8.656 -4.323 177 1HG LYS 25 2HG LYS 25 1.781 8.617 -6.825 178 2HG LYS 25 1HG LYS 25 0.930 7.074 -6.756 179 1HD LYS 25 2HD LYS 25 -0.722 8.516 -7.586 180 2HD LYS 25 1HD LYS 25 -1.080 8.489 -5.865 181 1HE LYS 25 2HE LYS 25 0.144 10.580 -5.542 182 2HE LYS 25 1HE LYS 25 0.614 10.594 -7.242 183 1HZ LYS 25 1HZ LYS 25 -1.237 11.761 -7.556 184 2HZ LYS 25 2HZ LYS 25 -1.861 11.377 -6.023 185 3HZ LYS 25 3HZ LYS 25 -2.083 10.309 -7.326 186 H GLN 26 H GLN 26 0.983 8.869 -2.746 187 HA GLN 26 HA GLN 26 2.695 8.060 -0.445 188 1HB GLN 26 2HB GLN 26 1.138 10.635 -0.841 189 2HB GLN 26 1HB GLN 26 1.651 10.080 0.747 190 1HG GLN 26 2HG GLN 26 3.873 10.525 0.339 191 2HG GLN 26 1HG GLN 26 3.748 10.106 -1.364 192 1HE2 GLN 26 1HE2 GLN 26 5.124 12.327 -1.111 193 2HE2 GLN 26 2HE2 GLN 26 4.215 13.732 -1.394 194 H TRP 27 H TRP 27 1.381 7.046 1.211 195 HA TRP 27 HA TRP 27 -1.557 7.019 0.693 196 1HB TRP 27 2HB TRP 27 0.145 4.535 1.027 197 2HB TRP 27 1HB TRP 27 -1.600 4.578 0.788 198 HD1 TRP 27 HD TRP 27 1.696 5.291 -1.037 199 HE1 TRP 27 1HE TRP 27 1.241 5.335 -3.575 200 HE3 TRP 27 3HE TRP 27 -3.369 4.872 -1.011 201 HZ2 TRP 27 2HZ TRP 27 -0.997 5.211 -5.357 202 HZ3 TRP 27 3HZ TRP 27 -4.647 4.836 -3.122 203 HH2 TRP 27 HH TRP 27 -3.470 5.004 -5.301 204 H HIS 28 H HIS 28 -2.752 7.012 2.592 205 HA HIS 28 HA HIS 28 -1.500 7.489 5.104 206 1HB HIS 28 2HB HIS 28 -4.222 6.408 4.359 207 2HB HIS 28 1HB HIS 28 -3.730 6.515 6.047 208 HD2 HIS 28 2HD HIS 28 -2.737 9.364 6.598 209 HE1 HIS 28 1HE HIS 28 -5.645 10.911 3.959 210 HE2 HIS 28 2HE HIS 28 -4.021 11.500 5.819 211 H VAL 29 H VAL 29 -0.613 6.041 6.584 212 HA VAL 29 HA VAL 29 0.213 3.476 5.769 213 HB VAL 29 HB VAL 29 -0.098 4.794 8.462 214 1HG1 VAL 29 1HG1 VAL 29 1.259 2.769 9.296 215 2HG1 VAL 29 2HG1 VAL 29 0.680 1.942 7.850 216 3HG1 VAL 29 3HG1 VAL 29 -0.472 2.531 9.048 217 1HG2 VAL 29 1HG2 VAL 29 2.258 4.961 8.356 218 2HG2 VAL 29 2HG2 VAL 29 1.727 5.323 6.712 219 3HG2 VAL 29 3HG2 VAL 29 2.378 3.729 7.103 220 H GLU 30 H GLU 30 -2.835 4.568 6.903 221 HA GLU 30 HA GLU 30 -3.720 1.859 7.673 222 1HB GLU 30 2HB GLU 30 -5.287 4.450 7.618 223 2HB GLU 30 1HB GLU 30 -5.779 2.942 8.392 224 1HG GLU 30 2HG GLU 30 -3.636 3.114 9.758 225 2HG GLU 30 1HG GLU 30 -3.498 4.766 9.163 226 H HIS 31 H HIS 31 -4.003 4.112 5.012 227 HA HIS 31 HA HIS 31 -6.174 2.483 3.806 228 1HB HIS 31 2HB HIS 31 -4.946 5.030 2.724 229 2HB HIS 31 1HB HIS 31 -6.505 4.316 2.301 230 HD2 HIS 31 2HD HIS 31 -7.003 3.734 5.746 231 HE1 HIS 31 1HE HIS 31 -7.504 7.923 5.663 232 HE2 HIS 31 2HE HIS 31 -7.943 5.816 7.003 233 H PHE 32 H PHE 32 -2.816 2.475 3.761 234 HA PHE 32 HA PHE 32 -2.612 1.758 0.910 235 1HB PHE 32 2HB PHE 32 -0.699 2.851 2.233 236 2HB PHE 32 1HB PHE 32 -0.491 1.285 3.020 237 HD1 PHE 32 1HD PHE 32 1.116 -0.115 2.066 238 HD2 PHE 32 2HD PHE 32 -1.084 2.567 -0.473 239 HE1 PHE 32 1HE PHE 32 2.346 -0.960 0.086 240 HE2 PHE 32 2HE PHE 32 0.145 1.715 -2.439 241 HZ PHE 32 HZ PHE 32 1.863 -0.050 -2.162 242 H VAL 33 H VAL 33 -3.639 -0.108 0.458 243 HA VAL 33 HA VAL 33 -3.078 -2.473 2.197 244 HB VAL 33 HB VAL 33 -5.395 -3.177 1.859 245 1HG1 VAL 33 1HG1 VAL 33 -6.321 -0.696 2.782 246 2HG1 VAL 33 2HG1 VAL 33 -4.630 -0.741 3.273 247 3HG1 VAL 33 3HG1 VAL 33 -5.731 -2.028 3.770 248 1HG2 VAL 33 1HG2 VAL 33 -6.978 -1.523 0.787 249 2HG2 VAL 33 2HG2 VAL 33 -5.818 -2.245 -0.331 250 3HG2 VAL 33 3HG2 VAL 33 -5.565 -0.604 0.270 251 H CYS 34 H CYS 34 -3.850 -4.498 1.059 252 HA CYS 34 HA CYS 34 -2.402 -4.898 -1.366 253 1HB CYS 34 2HB CYS 34 -2.795 -6.813 -0.091 254 2HB CYS 34 1HB CYS 34 -4.488 -6.436 0.159 255 H ALA 35 H ALA 35 -3.172 -5.095 -3.519 256 HA ALA 35 HA ALA 35 -5.632 -3.540 -4.061 257 1HB ALA 35 1HB ALA 35 -4.778 -3.256 -6.237 258 2HB ALA 35 2HB ALA 35 -3.769 -4.697 -6.122 259 3HB ALA 35 3HB ALA 35 -3.333 -3.245 -5.221 260 H LYS 36 H LYS 36 -5.881 -6.206 -2.947 261 HA LYS 36 HA LYS 36 -7.514 -7.438 -5.109 262 1HB LYS 36 2HB LYS 36 -5.031 -8.455 -4.442 263 2HB LYS 36 1HB LYS 36 -6.095 -9.411 -3.427 264 1HG LYS 36 2HG LYS 36 -6.471 -9.030 -6.412 265 2HG LYS 36 1HG LYS 36 -5.699 -10.426 -5.670 266 1HD LYS 36 2HD LYS 36 -7.761 -10.889 -4.401 267 2HD LYS 36 1HD LYS 36 -8.541 -9.514 -5.180 268 1HE LYS 36 2HE LYS 36 -8.348 -10.547 -7.354 269 2HE LYS 36 1HE LYS 36 -7.351 -11.847 -6.701 270 1HZ LYS 36 1HZ LYS 36 -9.891 -11.508 -5.375 271 2HZ LYS 36 2HZ LYS 36 -9.126 -12.925 -5.918 272 3HZ LYS 36 3HZ LYS 36 -10.018 -11.968 -7.002 273 H CYS 37 H CYS 37 -6.611 -7.393 -1.684 274 HA CYS 37 HA CYS 37 -9.405 -8.260 -1.007 275 1HB CYS 37 2HB CYS 37 -8.463 -9.332 0.984 276 2HB CYS 37 1HB CYS 37 -7.651 -9.929 -0.459 277 H GLU 38 H GLU 38 -6.957 -5.865 -0.619 278 HA GLU 38 HA GLU 38 -7.088 -3.787 0.399 279 1HB GLU 38 2HB GLU 38 -9.758 -4.490 1.604 280 2HB GLU 38 1HB GLU 38 -9.144 -2.911 1.121 281 1HG GLU 38 2HG GLU 38 -9.054 -4.109 -1.281 282 2HG GLU 38 1HG GLU 38 -10.349 -5.066 -0.561 283 H LYS 39 H LYS 39 -5.651 -5.741 1.627 284 HA LYS 39 HA LYS 39 -6.394 -5.601 4.506 285 1HB LYS 39 2HB LYS 39 -5.670 -7.792 3.309 286 2HB LYS 39 1HB LYS 39 -4.041 -7.126 3.397 287 1HG LYS 39 2HG LYS 39 -5.670 -7.061 5.903 288 2HG LYS 39 1HG LYS 39 -5.085 -8.627 5.371 289 1HD LYS 39 2HD LYS 39 -2.779 -7.727 5.262 290 2HD LYS 39 1HD LYS 39 -3.374 -6.170 5.840 291 1HE LYS 39 2HE LYS 39 -2.407 -7.624 7.654 292 2HE LYS 39 1HE LYS 39 -4.081 -7.148 7.938 293 1HZ LYS 39 1HZ LYS 39 -3.705 -9.516 8.346 294 2HZ LYS 39 2HZ LYS 39 -3.222 -9.721 6.730 295 3HZ LYS 39 3HZ LYS 39 -4.818 -9.264 7.091 296 HA PRO 40 HA PRO 40 -3.474 -2.166 4.328 297 1HB PRO 40 2HB PRO 40 -3.969 -1.498 7.009 298 2HB PRO 40 1HB PRO 40 -4.713 -0.751 5.611 299 1HG PRO 40 2HG PRO 40 -5.894 -2.546 7.551 300 2HG PRO 40 1HG PRO 40 -6.699 -1.680 6.246 301 1HD PRO 40 2HD PRO 40 -6.079 -4.488 6.382 302 2HD PRO 40 1HD PRO 40 -6.846 -3.623 5.043 303 H PHE 41 H PHE 41 -1.383 -2.061 4.841 304 HA PHE 41 HA PHE 41 -0.303 -4.074 6.760 305 1HB PHE 41 2HB PHE 41 1.491 -2.289 5.160 306 2HB PHE 41 1HB PHE 41 1.719 -3.969 5.635 307 HD1 PHE 41 1HD PHE 41 -0.195 -1.738 3.356 308 HD2 PHE 41 2HD PHE 41 1.044 -5.749 4.237 309 HE1 PHE 41 1HE PHE 41 -1.035 -2.483 1.140 310 HE2 PHE 41 2HE PHE 41 0.203 -6.494 2.037 311 HZ PHE 41 HZ PHE 41 -0.835 -4.870 0.483 312 H LEU 42 H LEU 42 -1.525 -2.279 8.242 313 HA LEU 42 HA LEU 42 -0.564 0.212 8.879 314 1HB LEU 42 2HB LEU 42 -1.445 -2.081 10.599 315 2HB LEU 42 1HB LEU 42 -0.771 -0.655 11.384 316 HG LEU 42 HG LEU 42 -2.426 0.770 10.223 317 1HD1 LEU 42 1HD1 LEU 42 -3.233 -1.870 9.024 318 2HD1 LEU 42 2HD1 LEU 42 -2.718 -0.402 8.188 319 3HD1 LEU 42 3HD1 LEU 42 -4.283 -0.449 9.004 320 1HD2 LEU 42 1HD2 LEU 42 -3.229 0.042 12.337 321 2HD2 LEU 42 2HD2 LEU 42 -3.449 -1.615 11.772 322 3HD2 LEU 42 3HD2 LEU 42 -4.541 -0.343 11.222 323 H GLY 43 H GLY 43 0.871 -2.792 10.154 324 1HA GLY 43 2HA GLY 43 3.524 -1.415 10.185 325 2HA GLY 43 1HA GLY 43 2.974 -2.309 11.601 326 H HIS 44 H HIS 44 2.238 -3.373 8.353 327 HA HIS 44 HA HIS 44 4.073 -5.709 8.783 328 1HB HIS 44 2HB HIS 44 1.333 -5.472 7.568 329 2HB HIS 44 1HB HIS 44 2.407 -6.767 7.042 330 HD1 HIS 44 1HD HIS 44 1.272 -8.722 8.209 331 HD2 HIS 44 2HD HIS 44 2.141 -5.589 10.815 332 HE1 HIS 44 1HE HIS 44 0.826 -9.590 10.546 333 H ARG 45 H ARG 45 4.258 -6.800 6.372 334 HA ARG 45 HA ARG 45 5.601 -4.695 4.748 335 1HB ARG 45 2HB ARG 45 7.078 -6.500 5.234 336 2HB ARG 45 1HB ARG 45 5.841 -7.708 4.893 337 1HG ARG 45 2HG ARG 45 5.902 -7.193 2.524 338 2HG ARG 45 1HG ARG 45 6.985 -5.829 2.804 339 1HD ARG 45 2HD ARG 45 8.601 -7.548 3.837 340 2HD ARG 45 1HD ARG 45 7.576 -8.777 3.094 341 HE ARG 45 HE ARG 45 8.137 -7.038 1.011 342 1HH1 ARG 45 1HH2 ARG 45 9.947 -8.797 3.360 343 2HH1 ARG 45 2HH2 ARG 45 11.328 -9.002 2.336 344 1HH2 ARG 45 1HH1 ARG 45 9.930 -7.296 -0.339 345 2HH2 ARG 45 2HH1 ARG 45 11.319 -8.152 0.241 346 H HIS 46 H HIS 46 5.089 -4.440 2.523 347 HA HIS 46 HA HIS 46 2.590 -5.838 1.638 348 1HB HIS 46 2HB HIS 46 2.310 -3.776 0.143 349 2HB HIS 46 1HB HIS 46 2.001 -3.557 1.860 350 HD1 HIS 46 1HD HIS 46 3.802 -2.240 3.244 351 HD2 HIS 46 2HD HIS 46 4.606 -2.449 -0.844 352 HE1 HIS 46 1HE HIS 46 5.646 -0.564 2.789 353 H TYR 47 H TYR 47 2.419 -5.875 -0.794 354 HA TYR 47 HA TYR 47 5.090 -6.221 -2.086 355 1HB TYR 47 2HB TYR 47 2.756 -8.115 -2.396 356 2HB TYR 47 1HB TYR 47 4.404 -8.359 -2.938 357 HD1 TYR 47 1HD TYR 47 5.914 -9.512 -1.537 358 HD2 TYR 47 2HD TYR 47 2.448 -7.648 0.186 359 HE1 TYR 47 1HE TYR 47 6.521 -10.404 0.697 360 HE2 TYR 47 2HE TYR 47 3.072 -8.535 2.406 361 HH TYR 47 HH TYR 47 6.128 -10.242 2.906 362 H GLU 48 H GLU 48 5.159 -5.456 -4.196 363 HA GLU 48 HA GLU 48 2.643 -4.197 -5.211 364 1HB GLU 48 2HB GLU 48 5.560 -3.542 -5.480 365 2HB GLU 48 1HB GLU 48 4.419 -2.962 -6.693 366 1HG GLU 48 2HG GLU 48 3.092 -1.855 -4.979 367 2HG GLU 48 1HG GLU 48 4.131 -2.507 -3.711 368 H ARG 49 H ARG 49 2.041 -4.399 -7.370 369 HA ARG 49 HA ARG 49 3.596 -6.168 -9.148 370 1HB ARG 49 2HB ARG 49 2.158 -7.698 -7.801 371 2HB ARG 49 1HB ARG 49 0.742 -6.853 -8.413 372 1HG ARG 49 2HG ARG 49 2.366 -7.491 -10.670 373 2HG ARG 49 1HG ARG 49 2.251 -8.948 -9.688 374 1HD ARG 49 2HD ARG 49 0.401 -8.689 -11.385 375 2HD ARG 49 1HD ARG 49 -0.150 -8.878 -9.727 376 HE ARG 49 HE ARG 49 0.013 -6.131 -10.071 377 1HH1 ARG 49 1HH2 ARG 49 -1.478 -8.785 -11.690 378 2HH1 ARG 49 2HH2 ARG 49 -2.822 -7.855 -12.261 379 1HH2 ARG 49 1HH1 ARG 49 -1.737 -4.900 -10.807 380 2HH2 ARG 49 2HH1 ARG 49 -2.969 -5.656 -11.761 381 H LYS 50 H LYS 50 3.427 -5.429 -11.182 382 HA LYS 50 HA LYS 50 2.779 -4.079 -12.969 383 1HB LYS 50 2HB LYS 50 0.073 -4.979 -11.945 384 2HB LYS 50 1HB LYS 50 0.331 -4.180 -13.495 385 1HG LYS 50 2HG LYS 50 2.064 -6.068 -13.936 386 2HG LYS 50 1HG LYS 50 1.265 -6.906 -12.608 387 1HD LYS 50 2HD LYS 50 0.010 -7.693 -14.395 388 2HD LYS 50 1HD LYS 50 -0.933 -6.269 -13.958 389 1HE LYS 50 2HE LYS 50 -0.663 -6.066 -16.295 390 2HE LYS 50 1HE LYS 50 0.581 -5.002 -15.639 391 1HZ LYS 50 1HZ LYS 50 1.837 -7.383 -15.736 392 2HZ LYS 50 2HZ LYS 50 1.953 -6.177 -16.927 393 3HZ LYS 50 3HZ LYS 50 0.854 -7.460 -17.117 394 H GLY 51 H GLY 51 2.952 -2.928 -10.181 395 1HA GLY 51 2HA GLY 51 2.876 -0.627 -9.565 396 2HA GLY 51 1HA GLY 51 1.808 -0.332 -10.931 397 H LEU 52 H LEU 52 1.253 -2.889 -8.636 398 HA LEU 52 HA LEU 52 -0.842 -1.300 -7.264 399 1HB LEU 52 2HB LEU 52 -1.282 -3.788 -8.895 400 2HB LEU 52 1HB LEU 52 -2.324 -3.446 -7.518 401 HG LEU 52 HG LEU 52 -1.839 -1.595 -9.870 402 1HD1 LEU 52 1HD1 LEU 52 -3.998 -2.220 -10.637 403 2HD1 LEU 52 2HD1 LEU 52 -4.402 -3.002 -9.108 404 3HD1 LEU 52 3HD1 LEU 52 -3.226 -3.744 -10.193 405 1HD2 LEU 52 1HD2 LEU 52 -2.449 -0.054 -8.286 406 2HD2 LEU 52 2HD2 LEU 52 -3.139 -1.274 -7.213 407 3HD2 LEU 52 3HD2 LEU 52 -4.071 -0.677 -8.588 408 H ALA 53 H ALA 53 -1.156 -1.947 -5.142 409 HA ALA 53 HA ALA 53 0.961 -3.583 -4.019 410 1HB ALA 53 1HB ALA 53 0.221 -1.747 -2.678 411 2HB ALA 53 2HB ALA 53 -0.339 -3.207 -1.854 412 3HB ALA 53 3HB ALA 53 -1.466 -2.246 -2.821 413 H TYR 54 H TYR 54 0.706 -5.510 -2.807 414 HA TYR 54 HA TYR 54 -1.856 -6.925 -2.912 415 1HB TYR 54 2HB TYR 54 0.567 -7.772 -4.491 416 2HB TYR 54 1HB TYR 54 -0.642 -8.933 -3.958 417 HD1 TYR 54 1HD TYR 54 0.183 -6.390 -6.344 418 HD2 TYR 54 2HD TYR 54 -3.057 -8.543 -4.568 419 HE1 TYR 54 1HE TYR 54 -1.264 -5.731 -8.205 420 HE2 TYR 54 2HE TYR 54 -4.539 -7.856 -6.451 421 HH TYR 54 HH TYR 54 -4.327 -7.128 -8.773 422 H CYS 55 H CYS 55 -1.982 -8.400 -1.192 423 HA CYS 55 HA CYS 55 -0.070 -8.191 0.884 424 1HB CYS 55 2HB CYS 55 -1.931 -10.526 0.298 425 2HB CYS 55 1HB CYS 55 -1.097 -10.254 1.825 426 H GLU 56 H GLU 56 1.127 -10.351 1.667 427 HA GLU 56 HA GLU 56 3.152 -10.987 -0.244 428 1HB GLU 56 2HB GLU 56 3.513 -11.244 2.179 429 2HB GLU 56 1HB GLU 56 2.288 -12.494 2.243 430 1HG GLU 56 2HG GLU 56 4.737 -13.268 2.163 431 2HG GLU 56 1HG GLU 56 3.621 -14.032 1.036 432 H THR 57 H THR 57 0.142 -12.580 0.657 433 HA THR 57 HA THR 57 0.693 -14.918 -1.023 434 HB THR 57 HB THR 57 -1.768 -14.112 0.543 435 HG1 THR 57 1HG THR 57 -0.598 -16.295 1.427 436 1HG2 THR 57 1HG2 THR 57 -2.497 -15.559 -1.210 437 2HG2 THR 57 2HG2 THR 57 -2.318 -16.583 0.216 438 3HG2 THR 57 3HG2 THR 57 -1.079 -16.594 -1.039 439 H HIS 58 H HIS 58 -1.599 -12.174 -1.131 440 HA HIS 58 HA HIS 58 -2.836 -13.068 -3.546 441 1HB HIS 58 2HB HIS 58 -2.594 -10.326 -2.299 442 2HB HIS 58 1HB HIS 58 -3.575 -10.665 -3.725 443 HD2 HIS 58 2HD HIS 58 -4.854 -13.553 -2.667 444 HE1 HIS 58 1HE HIS 58 -6.320 -11.297 0.584 445 HE2 HIS 58 2HE HIS 58 -6.532 -13.491 -0.673 446 H TYR 59 H TYR 59 -0.122 -10.891 -2.880 447 HA TYR 59 HA TYR 59 0.410 -10.075 -5.512 448 1HB TYR 59 2HB TYR 59 1.691 -9.191 -3.652 449 2HB TYR 59 1HB TYR 59 2.247 -10.789 -3.203 450 HD1 TYR 59 1HD TYR 59 1.974 -9.446 -6.653 451 HD2 TYR 59 2HD TYR 59 4.605 -10.544 -3.443 452 HE1 TYR 59 1HE TYR 59 3.896 -9.212 -8.148 453 HE2 TYR 59 2HE TYR 59 6.550 -10.293 -4.958 454 HH TYR 59 HH TYR 59 7.201 -9.375 -6.979 455 H ASN 60 H ASN 60 1.779 -12.739 -3.671 456 HA ASN 60 HA ASN 60 3.037 -13.986 -5.873 457 1HB ASN 60 2HB ASN 60 2.091 -15.098 -3.223 458 2HB ASN 60 1HB ASN 60 3.040 -16.030 -4.378 459 1HD2 ASN 60 1HD2 ASN 60 3.911 -15.194 -1.668 460 2HD2 ASN 60 2HD2 ASN 60 5.282 -14.218 -1.888 461 H GLN 61 H GLN 61 -0.137 -14.548 -4.355 462 HA GLN 61 HA GLN 61 -0.913 -16.743 -5.997 463 1HB GLN 61 2HB GLN 61 -2.221 -15.684 -4.020 464 2HB GLN 61 1HB GLN 61 -2.841 -14.549 -5.220 465 1HG GLN 61 2HG GLN 61 -4.451 -16.278 -5.186 466 2HG GLN 61 1HG GLN 61 -3.462 -16.641 -6.601 467 1HE2 GLN 61 1HE2 GLN 61 -1.813 -18.386 -6.360 468 2HE2 GLN 61 2HE2 GLN 61 -2.008 -19.572 -5.163 469 H LEU 62 H LEU 62 -0.813 -13.308 -6.523 470 HA LEU 62 HA LEU 62 -2.083 -13.420 -9.147 471 1HB LEU 62 2HB LEU 62 -0.837 -11.328 -7.424 472 2HB LEU 62 1HB LEU 62 -0.856 -11.017 -9.155 473 HG LEU 62 HG LEU 62 -3.345 -11.628 -9.068 474 1HD1 LEU 62 1HD1 LEU 62 -3.037 -12.599 -6.696 475 2HD1 LEU 62 2HD1 LEU 62 -4.465 -11.621 -7.006 476 3HD1 LEU 62 3HD1 LEU 62 -3.086 -10.917 -6.159 477 1HD2 LEU 62 1HD2 LEU 62 -2.184 -9.174 -7.771 478 2HD2 LEU 62 2HD2 LEU 62 -3.919 -9.347 -8.055 479 3HD2 LEU 62 3HD2 LEU 62 -2.795 -9.350 -9.415 480 H PHE 63 H PHE 63 1.203 -13.405 -7.887 481 HA PHE 63 HA PHE 63 2.195 -14.371 -10.474 482 1HB PHE 63 2HB PHE 63 2.709 -11.598 -9.464 483 2HB PHE 63 1HB PHE 63 4.007 -12.434 -10.312 484 HD1 PHE 63 1HD PHE 63 0.749 -10.849 -10.598 485 HD2 PHE 63 2HD PHE 63 3.677 -13.210 -12.662 486 HE1 PHE 63 1HE PHE 63 -0.358 -10.329 -12.765 487 HE2 PHE 63 2HE PHE 63 2.580 -12.690 -14.825 488 HZ PHE 63 HZ PHE 63 0.562 -11.249 -14.875 489 H GLY 64 H GLY 64 3.977 -12.601 -8.018 490 1HA GLY 64 2HA GLY 64 5.461 -13.383 -6.347 491 2HA GLY 64 1HA GLY 64 4.905 -15.026 -6.668 492 H ASP 65 H ASP 65 6.082 -12.871 -9.177 493 HA ASP 65 HA ASP 65 7.893 -13.108 -10.651 494 1HB ASP 65 2HB ASP 65 9.338 -14.374 -8.315 495 2HB ASP 65 1HB ASP 65 10.028 -13.440 -9.642 496 H VAL 66 H VAL 66 6.653 -14.796 -11.797 497 HA VAL 66 HA VAL 66 6.677 -17.545 -11.243 498 HB VAL 66 HB VAL 66 6.409 -17.879 -13.687 499 1HG1 VAL 66 1HG1 VAL 66 4.946 -15.527 -12.455 500 2HG1 VAL 66 2HG1 VAL 66 4.437 -17.216 -12.463 501 3HG1 VAL 66 3HG1 VAL 66 4.458 -16.294 -13.966 502 1HG2 VAL 66 1HG2 VAL 66 6.447 -15.796 -15.117 503 2HG2 VAL 66 2HG2 VAL 66 8.033 -16.292 -14.528 504 3HG2 VAL 66 3HG2 VAL 66 7.187 -14.948 -13.760 Start of MODEL 3 1 1H GLY 1 1HT GLY 1 4.057 20.130 9.705 2 2H GLY 1 2HT GLY 1 2.405 19.814 9.457 3 3H GLY 1 3HT GLY 1 3.036 19.865 11.033 4 1HA GLY 1 2HA GLY 1 1.894 21.946 9.608 5 2HA GLY 1 1HA GLY 1 2.691 22.033 11.181 6 H SER 2 H SER 2 5.167 22.103 11.049 7 HA SER 2 HA SER 2 5.907 24.231 9.186 8 1HB SER 2 2HB SER 2 7.770 22.726 11.028 9 2HB SER 2 1HB SER 2 7.947 24.366 10.412 10 HG SER 2 HG SER 2 6.689 23.510 12.616 11 H MET 3 H MET 3 5.234 22.133 7.606 12 HA MET 3 HA MET 3 7.727 21.583 6.211 13 1HB MET 3 2HB MET 3 7.116 18.999 6.310 14 2HB MET 3 1HB MET 3 8.100 19.736 7.574 15 1HG MET 3 2HG MET 3 6.247 18.326 8.484 16 2HG MET 3 1HG MET 3 6.151 20.008 9.005 17 1HE MET 3 1HE MET 3 4.044 18.149 9.399 18 2HE MET 3 2HE MET 3 3.866 17.191 7.931 19 3HE MET 3 3HE MET 3 2.579 18.291 8.419 20 H GLY 4 H GLY 4 6.897 19.537 4.544 21 1HA GLY 4 2HA GLY 4 4.872 20.911 2.946 22 2HA GLY 4 1HA GLY 4 5.711 19.423 2.500 23 H VAL 5 H VAL 5 3.522 18.674 1.831 24 HA VAL 5 HA VAL 5 2.241 17.245 4.054 25 HB VAL 5 HB VAL 5 0.990 19.556 2.656 26 1HG1 VAL 5 1HG1 VAL 5 -0.458 17.908 1.743 27 2HG1 VAL 5 2HG1 VAL 5 -1.274 18.477 3.199 28 3HG1 VAL 5 3HG1 VAL 5 -0.408 16.940 3.222 29 1HG2 VAL 5 1HG2 VAL 5 -0.288 19.562 4.852 30 2HG2 VAL 5 2HG2 VAL 5 1.461 19.761 5.012 31 3HG2 VAL 5 3HG2 VAL 5 0.713 18.198 5.352 32 HA PRO 6 HA PRO 6 2.100 14.517 0.509 33 1HB PRO 6 2HB PRO 6 1.552 12.301 2.170 34 2HB PRO 6 1HB PRO 6 3.152 12.821 1.635 35 1HG PRO 6 2HG PRO 6 2.075 12.950 4.310 36 2HG PRO 6 1HG PRO 6 3.674 13.446 3.750 37 1HD PRO 6 2HD PRO 6 1.359 15.116 4.403 38 2HD PRO 6 1HD PRO 6 3.036 15.595 4.124 39 H ILE 7 H ILE 7 0.451 13.021 -0.317 40 HA ILE 7 HA ILE 7 -2.218 13.417 0.937 41 HB ILE 7 HB ILE 7 -1.401 14.011 -1.903 42 1HG1 ILE 7 2HG1 ILE 7 -3.115 15.452 0.123 43 2HG1 ILE 7 1HG1 ILE 7 -1.400 15.751 -0.080 44 1HG2 ILE 7 1HG2 ILE 7 -4.087 13.215 -0.782 45 2HG2 ILE 7 2HG2 ILE 7 -3.289 12.621 -2.237 46 3HG2 ILE 7 3HG2 ILE 7 -3.960 14.251 -2.204 47 1HD1 ILE 7 1HD1 ILE 7 -3.323 15.953 -2.394 48 2HD1 ILE 7 2HD1 ILE 7 -1.709 16.649 -2.245 49 3HD1 ILE 7 3HD1 ILE 7 -3.047 17.312 -1.304 50 H CYS 8 H CYS 8 -3.052 11.532 1.334 51 HA CYS 8 HA CYS 8 -1.961 9.086 0.445 52 1HB CYS 8 2HB CYS 8 -3.240 9.178 2.490 53 2HB CYS 8 1HB CYS 8 -4.669 9.709 1.619 54 H GLY 9 H GLY 9 -2.011 8.297 -1.533 55 1HA GLY 9 2HA GLY 9 -3.651 9.250 -3.634 56 2HA GLY 9 1HA GLY 9 -2.773 7.724 -3.673 57 H ALA 10 H ALA 10 -4.530 7.483 -0.966 58 HA ALA 10 HA ALA 10 -6.540 5.796 -2.279 59 1HB ALA 10 1HB ALA 10 -6.542 6.350 0.670 60 2HB ALA 10 2HB ALA 10 -5.228 5.398 -0.015 61 3HB ALA 10 3HB ALA 10 -6.892 4.848 -0.184 62 H CYS 11 H CYS 11 -6.581 8.574 -0.050 63 HA CYS 11 HA CYS 11 -9.398 9.118 -0.901 64 1HB CYS 11 2HB CYS 11 -9.006 10.801 1.190 65 2HB CYS 11 1HB CYS 11 -9.572 9.154 1.400 66 H ARG 12 H ARG 12 -6.336 10.020 -1.745 67 HA ARG 12 HA ARG 12 -5.418 11.995 -2.643 68 1HB ARG 12 2HB ARG 12 -8.351 12.542 -3.241 69 2HB ARG 12 1HB ARG 12 -6.977 13.326 -4.021 70 1HG ARG 12 2HG ARG 12 -7.148 10.327 -4.062 71 2HG ARG 12 1HG ARG 12 -8.160 11.252 -5.170 72 1HD ARG 12 2HD ARG 12 -5.189 11.755 -4.925 73 2HD ARG 12 1HD ARG 12 -5.847 10.560 -6.043 74 HE ARG 12 HE ARG 12 -7.287 12.856 -6.612 75 1HH1 ARG 12 1HH2 ARG 12 -3.960 11.990 -6.350 76 2HH1 ARG 12 2HH2 ARG 12 -3.431 13.139 -7.533 77 1HH2 ARG 12 1HH1 ARG 12 -6.614 14.362 -8.158 78 2HH2 ARG 12 2HH1 ARG 12 -4.933 14.481 -8.557 79 H ARG 13 H ARG 13 -6.114 11.859 0.116 80 HA ARG 13 HA ARG 13 -6.944 14.657 0.741 81 1HB ARG 13 2HB ARG 13 -8.415 12.902 1.647 82 2HB ARG 13 1HB ARG 13 -7.034 12.126 2.417 83 1HG ARG 13 2HG ARG 13 -6.670 14.271 3.691 84 2HG ARG 13 1HG ARG 13 -8.216 14.833 3.053 85 1HD ARG 13 2HD ARG 13 -8.857 12.335 3.997 86 2HD ARG 13 1HD ARG 13 -7.660 12.868 5.173 87 HE ARG 13 HE ARG 13 -10.319 13.705 5.199 88 1HH1 ARG 13 1HH2 ARG 13 -7.224 15.210 4.881 89 2HH1 ARG 13 2HH2 ARG 13 -7.770 16.741 5.474 90 1HH2 ARG 13 1HH1 ARG 13 -11.031 15.690 5.979 91 2HH2 ARG 13 2HH1 ARG 13 -9.918 17.012 6.097 92 HA PRO 14 HA PRO 14 -2.745 15.392 1.890 93 1HB PRO 14 2HB PRO 14 -3.558 17.090 4.104 94 2HB PRO 14 1HB PRO 14 -2.806 17.538 2.572 95 1HG PRO 14 2HG PRO 14 -5.505 17.988 3.313 96 2HG PRO 14 1HG PRO 14 -4.772 18.261 1.724 97 1HD PRO 14 2HD PRO 14 -6.641 16.181 2.490 98 2HD PRO 14 1HD PRO 14 -5.975 16.514 0.886 99 H ILE 15 H ILE 15 -1.680 13.768 2.875 100 HA ILE 15 HA ILE 15 -2.739 12.397 5.199 101 HB ILE 15 HB ILE 15 0.018 12.335 3.927 102 1HG1 ILE 15 2HG1 ILE 15 -1.867 10.028 3.941 103 2HG1 ILE 15 1HG1 ILE 15 -2.287 11.386 2.899 104 1HG2 ILE 15 1HG2 ILE 15 -1.141 10.945 6.324 105 2HG2 ILE 15 2HG2 ILE 15 0.490 11.568 6.082 106 3HG2 ILE 15 3HG2 ILE 15 -0.009 10.068 5.294 107 1HD1 ILE 15 1HD1 ILE 15 -0.746 9.463 1.973 108 2HD1 ILE 15 2HD1 ILE 15 0.521 10.319 2.857 109 3HD1 ILE 15 3HD1 ILE 15 -0.376 11.142 1.586 110 H GLU 16 H GLU 16 -1.668 12.373 7.365 111 HA GLU 16 HA GLU 16 0.106 14.625 7.997 112 1HB GLU 16 2HB GLU 16 -1.666 15.454 9.746 113 2HB GLU 16 1HB GLU 16 -1.788 15.986 8.069 114 1HG GLU 16 2HG GLU 16 -3.970 15.202 9.011 115 2HG GLU 16 1HG GLU 16 -3.456 14.286 7.595 116 H GLY 17 H GLY 17 0.932 12.267 8.456 117 1HA GLY 17 2HA GLY 17 1.310 12.009 11.264 118 2HA GLY 17 1HA GLY 17 0.107 10.822 10.756 119 H ARG 18 H ARG 18 0.741 9.107 9.519 120 HA ARG 18 HA ARG 18 3.674 8.868 8.975 121 1HB ARG 18 2HB ARG 18 1.638 6.664 9.407 122 2HB ARG 18 1HB ARG 18 3.372 6.454 9.156 123 1HG ARG 18 2HG ARG 18 3.858 7.647 11.223 124 2HG ARG 18 1HG ARG 18 2.141 7.974 11.464 125 1HD ARG 18 2HD ARG 18 1.659 5.774 12.028 126 2HD ARG 18 1HD ARG 18 3.017 5.131 11.101 127 HE ARG 18 HE ARG 18 4.236 6.568 13.121 128 1HH1 ARG 18 1HH2 ARG 18 1.819 4.119 12.916 129 2HH1 ARG 18 2HH2 ARG 18 2.223 3.406 14.442 130 1HH2 ARG 18 1HH1 ARG 18 4.778 5.651 15.115 131 2HH2 ARG 18 2HH1 ARG 18 3.899 4.273 15.687 132 H VAL 19 H VAL 19 4.236 8.266 6.855 133 HA VAL 19 HA VAL 19 1.934 8.100 4.937 134 HB VAL 19 HB VAL 19 4.651 9.356 4.456 135 1HG1 VAL 19 1HG1 VAL 19 2.262 8.774 2.759 136 2HG1 VAL 19 2HG1 VAL 19 3.968 8.845 2.310 137 3HG1 VAL 19 3HG1 VAL 19 3.046 10.336 2.527 138 1HG2 VAL 19 1HG2 VAL 19 3.683 11.455 4.808 139 2HG2 VAL 19 2HG2 VAL 19 2.909 10.496 6.067 140 3HG2 VAL 19 3HG2 VAL 19 2.046 10.847 4.570 141 H VAL 20 H VAL 20 2.308 6.885 3.008 142 HA VAL 20 HA VAL 20 4.545 4.907 3.198 143 HB VAL 20 HB VAL 20 1.621 4.478 2.608 144 1HG1 VAL 20 1HG1 VAL 20 3.998 3.013 1.504 145 2HG1 VAL 20 2HG1 VAL 20 2.453 3.374 0.732 146 3HG1 VAL 20 3HG1 VAL 20 2.556 2.090 1.935 147 1HG2 VAL 20 1HG2 VAL 20 1.871 2.680 4.206 148 2HG2 VAL 20 2HG2 VAL 20 2.604 4.127 4.896 149 3HG2 VAL 20 3HG2 VAL 20 3.624 2.865 4.209 150 H ASN 21 H ASN 21 5.860 5.289 1.482 151 HA ASN 21 HA ASN 21 4.771 6.716 -0.852 152 1HB ASN 21 2HB ASN 21 7.567 5.795 -0.182 153 2HB ASN 21 1HB ASN 21 7.145 6.737 -1.607 154 1HD2 ASN 21 1HD2 ASN 21 5.228 7.486 1.160 155 2HD2 ASN 21 2HD2 ASN 21 6.032 8.913 1.605 156 H ALA 22 H ALA 22 3.648 5.404 -2.203 157 HA ALA 22 HA ALA 22 5.084 3.069 -3.351 158 1HB ALA 22 1HB ALA 22 3.068 1.662 -3.145 159 2HB ALA 22 2HB ALA 22 2.248 2.961 -2.277 160 3HB ALA 22 3HB ALA 22 3.644 2.158 -1.554 161 H MET 23 H MET 23 4.095 2.421 -5.446 162 HA MET 23 HA MET 23 3.240 3.006 -7.553 163 1HB MET 23 2HB MET 23 1.279 4.756 -6.064 164 2HB MET 23 1HB MET 23 1.040 3.923 -7.598 165 1HG MET 23 2HG MET 23 1.547 2.407 -5.030 166 2HG MET 23 1HG MET 23 -0.074 2.879 -5.530 167 1HE MET 23 1HE MET 23 2.172 0.211 -5.278 168 2HE MET 23 2HE MET 23 1.389 -0.998 -6.295 169 3HE MET 23 3HE MET 23 0.449 -0.137 -5.075 170 H GLY 24 H GLY 24 5.062 4.770 -5.849 171 1HA GLY 24 2HA GLY 24 6.316 6.719 -6.308 172 2HA GLY 24 1HA GLY 24 5.403 6.871 -7.810 173 H LYS 25 H LYS 25 3.604 6.449 -4.945 174 HA LYS 25 HA LYS 25 2.917 9.367 -4.854 175 1HB LYS 25 2HB LYS 25 1.084 6.968 -4.536 176 2HB LYS 25 1HB LYS 25 0.598 8.646 -4.333 177 1HG LYS 25 2HG LYS 25 1.892 8.544 -6.844 178 2HG LYS 25 1HG LYS 25 0.868 7.110 -6.783 179 1HD LYS 25 2HD LYS 25 -1.001 8.679 -5.964 180 2HD LYS 25 1HD LYS 25 0.042 10.002 -6.488 181 1HE LYS 25 2HE LYS 25 0.186 8.664 -8.732 182 2HE LYS 25 1HE LYS 25 -1.273 7.864 -8.146 183 1HZ LYS 25 1HZ LYS 25 -2.159 9.639 -9.249 184 2HZ LYS 25 2HZ LYS 25 -0.861 10.673 -8.886 185 3HZ LYS 25 3HZ LYS 25 -2.016 10.305 -7.696 186 H GLN 26 H GLN 26 1.086 8.966 -2.716 187 HA GLN 26 HA GLN 26 2.791 8.023 -0.454 188 1HB GLN 26 2HB GLN 26 1.434 10.695 -0.858 189 2HB GLN 26 1HB GLN 26 1.777 10.094 0.759 190 1HG GLN 26 2HG GLN 26 4.061 10.339 0.519 191 2HG GLN 26 1HG GLN 26 4.024 9.945 -1.196 192 1HE2 GLN 26 1HE2 GLN 26 1.647 12.254 -0.787 193 2HE2 GLN 26 2HE2 GLN 26 2.556 13.644 -1.124 194 H TRP 27 H TRP 27 1.463 7.031 1.209 195 HA TRP 27 HA TRP 27 -1.487 7.144 0.752 196 1HB TRP 27 2HB TRP 27 0.082 4.572 1.052 197 2HB TRP 27 1HB TRP 27 -1.656 4.717 0.809 198 HD1 TRP 27 HD TRP 27 1.676 5.321 -1.009 199 HE1 TRP 27 1HE TRP 27 1.225 5.339 -3.549 200 HE3 TRP 27 3HE TRP 27 -3.396 4.996 -0.985 201 HZ2 TRP 27 2HZ TRP 27 -1.017 5.231 -5.333 202 HZ3 TRP 27 3HZ TRP 27 -4.676 4.955 -3.095 203 HH2 TRP 27 HH TRP 27 -3.494 5.070 -5.277 204 H HIS 28 H HIS 28 -2.683 7.031 2.676 205 HA HIS 28 HA HIS 28 -1.371 7.501 5.167 206 1HB HIS 28 2HB HIS 28 -4.105 6.386 4.493 207 2HB HIS 28 1HB HIS 28 -3.554 6.492 6.161 208 HD2 HIS 28 2HD HIS 28 -2.685 9.319 6.795 209 HE1 HIS 28 1HE HIS 28 -5.546 10.882 4.113 210 HE2 HIS 28 2HE HIS 28 -3.994 11.449 6.041 211 H VAL 29 H VAL 29 -0.518 6.012 6.668 212 HA VAL 29 HA VAL 29 0.333 3.473 5.762 213 HB VAL 29 HB VAL 29 0.076 4.737 8.483 214 1HG1 VAL 29 1HG1 VAL 29 -0.361 2.470 9.034 215 2HG1 VAL 29 2HG1 VAL 29 1.375 2.663 9.282 216 3HG1 VAL 29 3HG1 VAL 29 0.774 1.872 7.824 217 1HG2 VAL 29 1HG2 VAL 29 2.480 3.624 7.025 218 2HG2 VAL 29 2HG2 VAL 29 2.463 4.758 8.368 219 3HG2 VAL 29 3HG2 VAL 29 1.903 5.274 6.774 220 H GLU 30 H GLU 30 -2.722 4.518 6.877 221 HA GLU 30 HA GLU 30 -3.566 1.774 7.579 222 1HB GLU 30 2HB GLU 30 -5.394 2.715 8.668 223 2HB GLU 30 1HB GLU 30 -4.189 3.988 8.857 224 1HG GLU 30 2HG GLU 30 -5.150 4.898 6.605 225 2HG GLU 30 1HG GLU 30 -6.538 3.879 6.975 226 H HIS 31 H HIS 31 -3.897 4.116 4.985 227 HA HIS 31 HA HIS 31 -6.075 2.525 3.750 228 1HB HIS 31 2HB HIS 31 -4.731 5.103 2.884 229 2HB HIS 31 1HB HIS 31 -6.013 4.305 1.982 230 HD2 HIS 31 2HD HIS 31 -7.720 3.543 4.884 231 HE1 HIS 31 1HE HIS 31 -8.160 7.735 5.021 232 HE2 HIS 31 2HE HIS 31 -9.040 5.535 5.921 233 H PHE 32 H PHE 32 -2.684 2.531 3.717 234 HA PHE 32 HA PHE 32 -2.475 1.684 0.916 235 1HB PHE 32 2HB PHE 32 -0.561 2.783 2.262 236 2HB PHE 32 1HB PHE 32 -0.362 1.205 3.029 237 HD1 PHE 32 1HD PHE 32 1.213 -0.215 2.043 238 HD2 PHE 32 2HD PHE 32 -0.948 2.554 -0.435 239 HE1 PHE 32 1HE PHE 32 2.418 -1.047 0.040 240 HE2 PHE 32 2HE PHE 32 0.256 1.715 -2.423 241 HZ PHE 32 HZ PHE 32 1.941 -0.086 -2.188 242 H VAL 33 H VAL 33 -3.514 -0.167 0.495 243 HA VAL 33 HA VAL 33 -2.979 -2.513 2.261 244 HB VAL 33 HB VAL 33 -5.305 -3.195 1.974 245 1HG1 VAL 33 1HG1 VAL 33 -4.498 -0.742 3.325 246 2HG1 VAL 33 2HG1 VAL 33 -5.613 -1.998 3.856 247 3HG1 VAL 33 3HG1 VAL 33 -6.193 -0.679 2.846 248 1HG2 VAL 33 1HG2 VAL 33 -5.482 -0.654 0.331 249 2HG2 VAL 33 2HG2 VAL 33 -6.890 -1.561 0.882 250 3HG2 VAL 33 3HG2 VAL 33 -5.745 -2.306 -0.234 251 H CYS 34 H CYS 34 -3.795 -4.536 1.136 252 HA CYS 34 HA CYS 34 -2.371 -4.925 -1.317 253 1HB CYS 34 2HB CYS 34 -2.674 -6.836 -0.008 254 2HB CYS 34 1HB CYS 34 -4.373 -6.503 0.277 255 H ALA 35 H ALA 35 -3.199 -5.176 -3.444 256 HA ALA 35 HA ALA 35 -5.700 -3.683 -3.941 257 1HB ALA 35 1HB ALA 35 -3.845 -4.874 -6.000 258 2HB ALA 35 2HB ALA 35 -3.480 -3.348 -5.196 259 3HB ALA 35 3HB ALA 35 -4.937 -3.502 -6.184 260 H LYS 36 H LYS 36 -5.690 -6.454 -2.797 261 HA LYS 36 HA LYS 36 -7.503 -7.682 -4.825 262 1HB LYS 36 2HB LYS 36 -5.277 -8.805 -4.958 263 2HB LYS 36 1HB LYS 36 -5.411 -9.224 -3.257 264 1HG LYS 36 2HG LYS 36 -6.107 -11.109 -4.669 265 2HG LYS 36 1HG LYS 36 -7.471 -10.497 -3.735 266 1HD LYS 36 2HD LYS 36 -8.534 -9.625 -5.595 267 2HD LYS 36 1HD LYS 36 -7.021 -9.312 -6.445 268 1HE LYS 36 2HE LYS 36 -7.885 -12.145 -5.908 269 2HE LYS 36 1HE LYS 36 -8.557 -11.259 -7.277 270 1HZ LYS 36 1HZ LYS 36 -6.008 -10.706 -7.613 271 2HZ LYS 36 2HZ LYS 36 -6.724 -12.102 -8.266 272 3HZ LYS 36 3HZ LYS 36 -5.833 -12.197 -6.823 273 H CYS 37 H CYS 37 -6.491 -7.389 -1.458 274 HA CYS 37 HA CYS 37 -9.181 -8.446 -0.648 275 1HB CYS 37 2HB CYS 37 -8.112 -9.461 1.318 276 2HB CYS 37 1HB CYS 37 -7.368 -10.066 -0.161 277 H GLU 38 H GLU 38 -6.941 -5.886 -0.512 278 HA GLU 38 HA GLU 38 -6.999 -3.857 0.583 279 1HB GLU 38 2HB GLU 38 -9.751 -4.725 1.514 280 2HB GLU 38 1HB GLU 38 -9.113 -3.084 1.526 281 1HG GLU 38 2HG GLU 38 -10.358 -3.112 -0.457 282 2HG GLU 38 1HG GLU 38 -8.732 -3.474 -1.034 283 H LYS 39 H LYS 39 -5.591 -5.815 1.866 284 HA LYS 39 HA LYS 39 -6.372 -5.581 4.733 285 1HB LYS 39 2HB LYS 39 -5.629 -7.818 3.495 286 2HB LYS 39 1HB LYS 39 -4.013 -7.201 3.827 287 1HG LYS 39 2HG LYS 39 -5.517 -6.858 6.224 288 2HG LYS 39 1HG LYS 39 -5.875 -8.477 5.642 289 1HD LYS 39 2HD LYS 39 -3.032 -7.471 5.785 290 2HD LYS 39 1HD LYS 39 -3.825 -8.172 7.193 291 1HE LYS 39 2HE LYS 39 -2.539 -9.866 5.897 292 2HE LYS 39 1HE LYS 39 -4.260 -10.242 5.971 293 1HZ LYS 39 1HZ LYS 39 -4.582 -9.480 3.792 294 2HZ LYS 39 2HZ LYS 39 -3.170 -10.424 3.724 295 3HZ LYS 39 3HZ LYS 39 -3.064 -8.728 3.729 296 HA PRO 40 HA PRO 40 -3.374 -2.217 4.399 297 1HB PRO 40 2HB PRO 40 -3.801 -1.495 7.091 298 2HB PRO 40 1HB PRO 40 -4.501 -0.721 5.688 299 1HG PRO 40 2HG PRO 40 -5.782 -2.425 7.642 300 2HG PRO 40 1HG PRO 40 -6.533 -1.540 6.319 301 1HD PRO 40 2HD PRO 40 -6.087 -4.370 6.504 302 2HD PRO 40 1HD PRO 40 -6.765 -3.482 5.130 303 H PHE 41 H PHE 41 -1.278 -2.100 4.893 304 HA PHE 41 HA PHE 41 -0.167 -4.142 6.766 305 1HB PHE 41 2HB PHE 41 1.587 -2.330 5.151 306 2HB PHE 41 1HB PHE 41 1.833 -4.014 5.602 307 HD1 PHE 41 1HD PHE 41 -0.057 -1.750 3.353 308 HD2 PHE 41 2HD PHE 41 1.044 -5.800 4.245 309 HE1 PHE 41 1HE PHE 41 -0.948 -2.478 1.152 310 HE2 PHE 41 2HE PHE 41 0.151 -6.526 2.060 311 HZ PHE 41 HZ PHE 41 -0.843 -4.875 0.506 312 H LEU 42 H LEU 42 -1.368 -2.321 8.278 313 HA LEU 42 HA LEU 42 -0.335 0.137 8.936 314 1HB LEU 42 2HB LEU 42 -1.262 -2.154 10.638 315 2HB LEU 42 1HB LEU 42 -0.546 -0.754 11.433 316 HG LEU 42 HG LEU 42 -2.174 0.726 10.301 317 1HD1 LEU 42 1HD1 LEU 42 -2.512 -0.421 8.256 318 2HD1 LEU 42 2HD1 LEU 42 -4.072 -0.431 9.086 319 3HD1 LEU 42 3HD1 LEU 42 -3.061 -1.880 9.085 320 1HD2 LEU 42 1HD2 LEU 42 -2.974 -0.004 12.415 321 2HD2 LEU 42 2HD2 LEU 42 -3.245 -1.648 11.833 322 3HD2 LEU 42 3HD2 LEU 42 -4.307 -0.342 11.308 323 H GLY 43 H GLY 43 1.018 -2.922 10.156 324 1HA GLY 43 2HA GLY 43 3.714 -1.632 10.190 325 2HA GLY 43 1HA GLY 43 3.147 -2.541 11.590 326 H HIS 44 H HIS 44 2.361 -3.481 8.315 327 HA HIS 44 HA HIS 44 4.138 -5.878 8.648 328 1HB HIS 44 2HB HIS 44 1.756 -5.970 6.838 329 2HB HIS 44 1HB HIS 44 2.474 -7.250 7.815 330 HD1 HIS 44 1HD HIS 44 -0.603 -5.923 7.735 331 HD2 HIS 44 2HD HIS 44 2.245 -5.794 10.774 332 HE1 HIS 44 1HE HIS 44 -1.870 -5.486 9.885 333 H ARG 45 H ARG 45 4.477 -6.924 6.349 334 HA ARG 45 HA ARG 45 5.669 -4.800 4.667 335 1HB ARG 45 2HB ARG 45 6.279 -7.121 3.377 336 2HB ARG 45 1HB ARG 45 7.245 -6.474 4.698 337 1HG ARG 45 2HG ARG 45 6.062 -7.846 6.310 338 2HG ARG 45 1HG ARG 45 4.951 -8.416 5.067 339 1HD ARG 45 2HD ARG 45 6.519 -10.165 5.214 340 2HD ARG 45 1HD ARG 45 7.106 -9.228 3.840 341 HE ARG 45 HE ARG 45 8.429 -8.119 6.008 342 1HH1 ARG 45 1HH2 ARG 45 7.968 -11.277 4.704 343 2HH1 ARG 45 2HH2 ARG 45 9.502 -11.870 5.246 344 1HH2 ARG 45 1HH1 ARG 45 10.436 -8.875 6.723 345 2HH2 ARG 45 2HH1 ARG 45 10.899 -10.510 6.389 346 H HIS 46 H HIS 46 5.165 -4.582 2.433 347 HA HIS 46 HA HIS 46 2.582 -5.859 1.604 348 1HB HIS 46 2HB HIS 46 2.351 -3.798 0.108 349 2HB HIS 46 1HB HIS 46 2.098 -3.544 1.829 350 HD1 HIS 46 1HD HIS 46 3.977 -2.267 3.138 351 HD2 HIS 46 2HD HIS 46 4.689 -2.602 -0.960 352 HE1 HIS 46 1HE HIS 46 5.879 -0.679 2.609 353 H TYR 47 H TYR 47 2.395 -5.849 -0.848 354 HA TYR 47 HA TYR 47 5.040 -6.257 -2.161 355 1HB TYR 47 2HB TYR 47 2.747 -8.196 -2.431 356 2HB TYR 47 1HB TYR 47 4.425 -8.439 -2.874 357 HD1 TYR 47 1HD TYR 47 5.973 -9.329 -1.296 358 HD2 TYR 47 2HD TYR 47 2.206 -7.777 0.063 359 HE1 TYR 47 1HE TYR 47 6.458 -10.108 1.009 360 HE2 TYR 47 2HE TYR 47 2.703 -8.560 2.351 361 HH TYR 47 HH TYR 47 5.381 -9.115 3.549 362 H GLU 48 H GLU 48 5.069 -5.290 -4.146 363 HA GLU 48 HA GLU 48 2.497 -4.216 -5.192 364 1HB GLU 48 2HB GLU 48 5.347 -3.557 -5.956 365 2HB GLU 48 1HB GLU 48 3.910 -2.743 -6.565 366 1HG GLU 48 2HG GLU 48 5.220 -2.550 -3.891 367 2HG GLU 48 1HG GLU 48 4.475 -1.294 -4.872 368 H ARG 49 H ARG 49 1.942 -4.351 -7.374 369 HA ARG 49 HA ARG 49 3.469 -6.132 -9.152 370 1HB ARG 49 2HB ARG 49 2.049 -7.690 -7.859 371 2HB ARG 49 1HB ARG 49 0.625 -6.803 -8.377 372 1HG ARG 49 2HG ARG 49 2.152 -7.382 -10.722 373 2HG ARG 49 1HG ARG 49 2.026 -8.873 -9.793 374 1HD ARG 49 2HD ARG 49 0.125 -8.443 -11.426 375 2HD ARG 49 1HD ARG 49 -0.355 -8.772 -9.769 376 HE ARG 49 HE ARG 49 -0.130 -5.991 -9.921 377 1HH1 ARG 49 1HH2 ARG 49 -1.840 -8.513 -11.532 378 2HH1 ARG 49 2HH2 ARG 49 -3.193 -7.513 -11.944 379 1HH2 ARG 49 1HH1 ARG 49 -1.886 -4.672 -10.447 380 2HH2 ARG 49 2HH1 ARG 49 -3.219 -5.339 -11.330 381 H LYS 50 H LYS 50 3.341 -5.297 -11.140 382 HA LYS 50 HA LYS 50 2.692 -3.925 -12.906 383 1HB LYS 50 2HB LYS 50 0.035 -4.969 -11.905 384 2HB LYS 50 1HB LYS 50 0.175 -3.966 -13.347 385 1HG LYS 50 2HG LYS 50 2.047 -5.778 -13.975 386 2HG LYS 50 1HG LYS 50 1.085 -6.785 -12.894 387 1HD LYS 50 2HD LYS 50 -0.183 -5.196 -15.135 388 2HD LYS 50 1HD LYS 50 0.453 -6.821 -15.389 389 1HE LYS 50 2HE LYS 50 -0.997 -7.618 -13.501 390 2HE LYS 50 1HE LYS 50 -1.715 -6.008 -13.437 391 1HZ LYS 50 1HZ LYS 50 -2.274 -8.138 -15.215 392 2HZ LYS 50 2HZ LYS 50 -1.771 -6.770 -16.088 393 3HZ LYS 50 3HZ LYS 50 -3.091 -6.663 -15.024 394 H GLY 51 H GLY 51 2.883 -2.796 -10.107 395 1HA GLY 51 2HA GLY 51 2.760 -0.509 -9.460 396 2HA GLY 51 1HA GLY 51 1.707 -0.212 -10.838 397 H LEU 52 H LEU 52 1.161 -2.797 -8.577 398 HA LEU 52 HA LEU 52 -0.972 -1.260 -7.213 399 1HB LEU 52 2HB LEU 52 -1.364 -3.715 -8.901 400 2HB LEU 52 1HB LEU 52 -2.423 -3.423 -7.527 401 HG LEU 52 HG LEU 52 -1.932 -1.488 -9.807 402 1HD1 LEU 52 1HD1 LEU 52 -4.113 -3.477 -9.187 403 2HD1 LEU 52 2HD1 LEU 52 -3.238 -3.239 -10.700 404 3HD1 LEU 52 3HD1 LEU 52 -4.437 -2.054 -10.179 405 1HD2 LEU 52 1HD2 LEU 52 -4.217 -0.681 -8.528 406 2HD2 LEU 52 2HD2 LEU 52 -2.617 -0.021 -8.189 407 3HD2 LEU 52 3HD2 LEU 52 -3.278 -1.297 -7.165 408 H ALA 53 H ALA 53 -1.243 -1.898 -5.102 409 HA ALA 53 HA ALA 53 0.851 -3.550 -3.991 410 1HB ALA 53 1HB ALA 53 0.074 -1.732 -2.639 411 2HB ALA 53 2HB ALA 53 -0.454 -3.213 -1.831 412 3HB ALA 53 3HB ALA 53 -1.602 -2.268 -2.787 413 H TYR 54 H TYR 54 0.637 -5.490 -2.841 414 HA TYR 54 HA TYR 54 -1.899 -6.950 -2.932 415 1HB TYR 54 2HB TYR 54 0.521 -7.760 -4.541 416 2HB TYR 54 1HB TYR 54 -0.679 -8.930 -4.012 417 HD1 TYR 54 1HD TYR 54 0.094 -6.268 -6.311 418 HD2 TYR 54 2HD TYR 54 -3.077 -8.653 -4.695 419 HE1 TYR 54 1HE TYR 54 -1.346 -5.597 -8.178 420 HE2 TYR 54 2HE TYR 54 -4.547 -7.955 -6.591 421 HH TYR 54 HH TYR 54 -4.174 -7.138 -8.994 422 H CYS 55 H CYS 55 -1.955 -8.441 -1.220 423 HA CYS 55 HA CYS 55 -0.015 -8.181 0.823 424 1HB CYS 55 2HB CYS 55 -1.926 -10.470 0.245 425 2HB CYS 55 1HB CYS 55 -0.969 -10.345 1.719 426 H GLU 56 H GLU 56 1.161 -10.352 1.621 427 HA GLU 56 HA GLU 56 3.242 -10.954 -0.246 428 1HB GLU 56 2HB GLU 56 3.300 -11.215 2.307 429 2HB GLU 56 1HB GLU 56 2.431 -12.723 2.071 430 1HG GLU 56 2HG GLU 56 4.210 -13.677 0.810 431 2HG GLU 56 1HG GLU 56 5.014 -12.119 0.623 432 H THR 57 H THR 57 0.272 -12.649 0.637 433 HA THR 57 HA THR 57 0.892 -14.924 -1.103 434 HB THR 57 HB THR 57 -1.550 -14.259 0.553 435 HG1 THR 57 1HG THR 57 -0.309 -16.423 1.344 436 1HG2 THR 57 1HG2 THR 57 -2.306 -15.671 -1.210 437 2HG2 THR 57 2HG2 THR 57 -2.020 -16.742 0.161 438 3HG2 THR 57 3HG2 THR 57 -0.842 -16.654 -1.148 439 H HIS 58 H HIS 58 -1.483 -12.249 -1.135 440 HA HIS 58 HA HIS 58 -2.759 -13.190 -3.513 441 1HB HIS 58 2HB HIS 58 -2.576 -10.384 -2.391 442 2HB HIS 58 1HB HIS 58 -3.672 -10.892 -3.671 443 HD2 HIS 58 2HD HIS 58 -4.682 -13.741 -2.344 444 HE1 HIS 58 1HE HIS 58 -5.925 -11.390 0.933 445 HE2 HIS 58 2HE HIS 58 -6.169 -13.644 -0.207 446 H TYR 59 H TYR 59 -0.111 -10.907 -2.926 447 HA TYR 59 HA TYR 59 0.354 -10.076 -5.553 448 1HB TYR 59 2HB TYR 59 1.677 -9.209 -3.716 449 2HB TYR 59 1HB TYR 59 2.276 -10.807 -3.321 450 HD1 TYR 59 1HD TYR 59 1.856 -9.472 -6.756 451 HD2 TYR 59 2HD TYR 59 4.626 -10.440 -3.620 452 HE1 TYR 59 1HE TYR 59 3.723 -9.168 -8.308 453 HE2 TYR 59 2HE TYR 59 6.511 -10.114 -5.192 454 HH TYR 59 HH TYR 59 6.501 -10.300 -8.124 455 H ASN 60 H ASN 60 1.768 -12.775 -3.794 456 HA ASN 60 HA ASN 60 2.962 -13.969 -6.070 457 1HB ASN 60 2HB ASN 60 2.223 -15.017 -3.342 458 2HB ASN 60 1HB ASN 60 2.927 -16.075 -4.566 459 1HD2 ASN 60 1HD2 ASN 60 3.634 -13.571 -2.251 460 2HD2 ASN 60 2HD2 ASN 60 5.291 -13.438 -2.593 461 H GLN 61 H GLN 61 -0.141 -14.585 -4.424 462 HA GLN 61 HA GLN 61 -0.987 -16.754 -6.061 463 1HB GLN 61 2HB GLN 61 -2.218 -15.643 -4.035 464 2HB GLN 61 1HB GLN 61 -2.905 -14.568 -5.254 465 1HG GLN 61 2HG GLN 61 -4.457 -16.367 -5.032 466 2HG GLN 61 1HG GLN 61 -3.578 -16.675 -6.531 467 1HE2 GLN 61 1HE2 GLN 61 -1.376 -17.245 -4.101 468 2HE2 GLN 61 2HE2 GLN 61 -1.614 -18.913 -3.895 469 H LEU 62 H LEU 62 -0.899 -13.316 -6.551 470 HA LEU 62 HA LEU 62 -2.250 -13.374 -9.132 471 1HB LEU 62 2HB LEU 62 -0.894 -11.335 -7.423 472 2HB LEU 62 1HB LEU 62 -0.986 -10.995 -9.144 473 HG LEU 62 HG LEU 62 -3.537 -11.721 -8.771 474 1HD1 LEU 62 1HD1 LEU 62 -3.302 -12.243 -6.395 475 2HD1 LEU 62 2HD1 LEU 62 -4.333 -10.829 -6.597 476 3HD1 LEU 62 3HD1 LEU 62 -2.659 -10.628 -6.087 477 1HD2 LEU 62 1HD2 LEU 62 -4.009 -9.281 -8.343 478 2HD2 LEU 62 2HD2 LEU 62 -2.911 -9.592 -9.688 479 3HD2 LEU 62 3HD2 LEU 62 -2.271 -9.059 -8.133 480 H PHE 63 H PHE 63 1.067 -13.448 -7.973 481 HA PHE 63 HA PHE 63 1.980 -14.376 -10.596 482 1HB PHE 63 2HB PHE 63 2.546 -11.616 -9.571 483 2HB PHE 63 1HB PHE 63 3.792 -12.447 -10.497 484 HD1 PHE 63 1HD PHE 63 0.616 -10.720 -10.616 485 HD2 PHE 63 2HD PHE 63 3.251 -13.294 -12.819 486 HE1 PHE 63 1HE PHE 63 -0.588 -10.157 -12.715 487 HE2 PHE 63 2HE PHE 63 2.053 -12.731 -14.917 488 HZ PHE 63 HZ PHE 63 0.133 -11.163 -14.864 489 H GLY 64 H GLY 64 3.847 -12.625 -8.189 490 1HA GLY 64 2HA GLY 64 5.357 -13.430 -6.548 491 2HA GLY 64 1HA GLY 64 4.803 -15.070 -6.889 492 H ASP 65 H ASP 65 5.816 -12.987 -9.485 493 HA ASP 65 HA ASP 65 8.584 -13.773 -9.556 494 1HB ASP 65 2HB ASP 65 7.582 -15.984 -10.058 495 2HB ASP 65 1HB ASP 65 6.719 -15.272 -11.423 496 H VAL 66 H VAL 66 6.641 -11.509 -10.080 497 HA VAL 66 HA VAL 66 6.464 -10.834 -12.803 498 HB VAL 66 HB VAL 66 5.485 -9.522 -10.896 499 1HG1 VAL 66 1HG1 VAL 66 7.710 -9.568 -9.616 500 2HG1 VAL 66 2HG1 VAL 66 6.837 -8.035 -9.619 501 3HG1 VAL 66 3HG1 VAL 66 8.225 -8.262 -10.683 502 1HG2 VAL 66 1HG2 VAL 66 5.737 -7.360 -11.986 503 2HG2 VAL 66 2HG2 VAL 66 5.697 -8.613 -13.226 504 3HG2 VAL 66 3HG2 VAL 66 7.234 -7.884 -12.759 Start of MODEL 4 1 1H GLY 1 1HT GLY 1 7.217 30.563 1.163 2 2H GLY 1 2HT GLY 1 5.800 30.546 2.100 3 3H GLY 1 3HT GLY 1 5.726 30.939 0.448 4 1HA GLY 1 2HA GLY 1 5.847 28.804 -0.237 5 2HA GLY 1 1HA GLY 1 6.864 28.343 1.128 6 H SER 2 H SER 2 5.272 26.494 1.224 7 HA SER 2 HA SER 2 3.316 27.010 3.303 8 1HB SER 2 2HB SER 2 1.330 26.295 2.013 9 2HB SER 2 1HB SER 2 2.018 27.777 1.354 10 HG SER 2 HG SER 2 2.232 26.722 -0.439 11 H MET 3 H MET 3 5.544 25.307 3.138 12 HA MET 3 HA MET 3 6.179 23.060 3.400 13 1HB MET 3 2HB MET 3 4.383 23.492 5.226 14 2HB MET 3 1HB MET 3 3.311 22.547 4.193 15 1HG MET 3 2HG MET 3 4.302 21.001 5.741 16 2HG MET 3 1HG MET 3 5.096 20.736 4.189 17 1HE MET 3 1HE MET 3 6.579 22.586 8.022 18 2HE MET 3 2HE MET 3 4.939 22.481 7.386 19 3HE MET 3 3HE MET 3 5.977 23.820 6.906 20 H GLY 4 H GLY 4 3.618 21.132 3.115 21 1HA GLY 4 2HA GLY 4 2.956 21.160 0.331 22 2HA GLY 4 1HA GLY 4 4.311 20.060 0.590 23 H VAL 5 H VAL 5 3.697 18.964 3.047 24 HA VAL 5 HA VAL 5 2.442 17.229 3.989 25 HB VAL 5 HB VAL 5 0.386 19.164 2.991 26 1HG1 VAL 5 1HG1 VAL 5 -0.829 17.236 2.431 27 2HG1 VAL 5 2HG1 VAL 5 -1.313 17.541 4.103 28 3HG1 VAL 5 3HG1 VAL 5 -0.126 16.295 3.749 29 1HG2 VAL 5 1HG2 VAL 5 1.099 17.920 5.658 30 2HG2 VAL 5 2HG2 VAL 5 -0.303 18.968 5.420 31 3HG2 VAL 5 3HG2 VAL 5 1.328 19.599 5.163 32 HA PRO 6 HA PRO 6 2.044 14.495 0.501 33 1HB PRO 6 2HB PRO 6 1.595 12.253 2.177 34 2HB PRO 6 1HB PRO 6 3.153 12.777 1.532 35 1HG PRO 6 2HG PRO 6 2.253 12.903 4.275 36 2HG PRO 6 1HG PRO 6 3.822 13.366 3.612 37 1HD PRO 6 2HD PRO 6 1.643 15.088 4.473 38 2HD PRO 6 1HD PRO 6 3.274 15.533 3.965 39 H ILE 7 H ILE 7 0.359 13.016 -0.281 40 HA ILE 7 HA ILE 7 -2.233 13.364 1.131 41 HB ILE 7 HB ILE 7 -1.577 14.092 -1.717 42 1HG1 ILE 7 2HG1 ILE 7 -3.209 15.393 0.464 43 2HG1 ILE 7 1HG1 ILE 7 -1.514 15.740 0.185 44 1HG2 ILE 7 1HG2 ILE 7 -3.459 12.676 -2.020 45 2HG2 ILE 7 2HG2 ILE 7 -4.147 14.296 -1.897 46 3HG2 ILE 7 3HG2 ILE 7 -4.200 13.206 -0.510 47 1HD1 ILE 7 1HD1 ILE 7 -3.524 16.012 -2.039 48 2HD1 ILE 7 2HD1 ILE 7 -1.952 16.797 -1.863 49 3HD1 ILE 7 3HD1 ILE 7 -3.311 17.304 -0.855 50 H CYS 8 H CYS 8 -3.062 11.466 1.493 51 HA CYS 8 HA CYS 8 -2.012 9.052 0.495 52 1HB CYS 8 2HB CYS 8 -3.216 9.024 2.560 53 2HB CYS 8 1HB CYS 8 -4.658 9.680 1.796 54 H GLY 9 H GLY 9 -2.170 8.219 -1.458 55 1HA GLY 9 2HA GLY 9 -3.929 9.259 -3.470 56 2HA GLY 9 1HA GLY 9 -2.947 7.808 -3.636 57 H ALA 10 H ALA 10 -4.653 7.410 -0.854 58 HA ALA 10 HA ALA 10 -6.533 5.571 -2.171 59 1HB ALA 10 1HB ALA 10 -5.171 5.262 0.086 60 2HB ALA 10 2HB ALA 10 -6.777 4.566 -0.094 61 3HB ALA 10 3HB ALA 10 -6.567 6.082 0.781 62 H CYS 11 H CYS 11 -6.635 8.548 -0.274 63 HA CYS 11 HA CYS 11 -9.497 8.861 -1.091 64 1HB CYS 11 2HB CYS 11 -9.580 10.238 1.159 65 2HB CYS 11 1HB CYS 11 -9.749 8.482 1.201 66 H ARG 12 H ARG 12 -6.475 9.953 -1.593 67 HA ARG 12 HA ARG 12 -5.572 11.981 -2.315 68 1HB ARG 12 2HB ARG 12 -8.483 12.635 -2.884 69 2HB ARG 12 1HB ARG 12 -7.079 13.426 -3.597 70 1HG ARG 12 2HG ARG 12 -7.418 10.444 -3.858 71 2HG ARG 12 1HG ARG 12 -8.286 11.529 -4.941 72 1HD ARG 12 2HD ARG 12 -5.281 11.461 -4.531 73 2HD ARG 12 1HD ARG 12 -6.149 10.868 -5.946 74 HE ARG 12 HE ARG 12 -6.947 13.512 -5.750 75 1HH1 ARG 12 1HH2 ARG 12 -3.953 11.804 -5.837 76 2HH1 ARG 12 2HH2 ARG 12 -3.092 13.087 -6.620 77 1HH2 ARG 12 1HH1 ARG 12 -5.839 15.197 -6.771 78 2HH2 ARG 12 2HH1 ARG 12 -4.159 15.008 -7.148 79 H ARG 13 H ARG 13 -6.053 11.746 0.440 80 HA ARG 13 HA ARG 13 -6.951 14.501 1.174 81 1HB ARG 13 2HB ARG 13 -7.162 11.852 2.572 82 2HB ARG 13 1HB ARG 13 -7.066 13.324 3.540 83 1HG ARG 13 2HG ARG 13 -8.980 14.248 2.200 84 2HG ARG 13 1HG ARG 13 -9.130 12.676 1.416 85 1HD ARG 13 2HD ARG 13 -9.287 11.703 3.795 86 2HD ARG 13 1HD ARG 13 -9.555 13.364 4.324 87 HE ARG 13 HE ARG 13 -11.393 13.019 2.281 88 1HH1 ARG 13 1HH2 ARG 13 -10.537 11.361 5.180 89 2HH1 ARG 13 2HH2 ARG 13 -12.138 10.767 5.471 90 1HH2 ARG 13 1HH1 ARG 13 -13.488 12.253 2.644 91 2HH2 ARG 13 2HH1 ARG 13 -13.808 11.272 4.034 92 HA PRO 14 HA PRO 14 -2.761 15.365 2.197 93 1HB PRO 14 2HB PRO 14 -3.501 16.948 4.502 94 2HB PRO 14 1HB PRO 14 -2.938 17.502 2.923 95 1HG PRO 14 2HG PRO 14 -5.585 17.692 3.957 96 2HG PRO 14 1HG PRO 14 -5.013 18.147 2.343 97 1HD PRO 14 2HD PRO 14 -6.672 15.881 3.061 98 2HD PRO 14 1HD PRO 14 -6.125 16.377 1.446 99 H ILE 15 H ILE 15 -1.617 13.698 3.064 100 HA ILE 15 HA ILE 15 -2.515 12.283 5.438 101 HB ILE 15 HB ILE 15 0.166 12.237 4.005 102 1HG1 ILE 15 2HG1 ILE 15 -1.821 10.007 3.961 103 2HG1 ILE 15 1HG1 ILE 15 -2.160 11.423 2.972 104 1HG2 ILE 15 1HG2 ILE 15 0.175 9.912 5.234 105 2HG2 ILE 15 2HG2 ILE 15 -0.950 10.702 6.339 106 3HG2 ILE 15 3HG2 ILE 15 0.671 11.357 6.120 107 1HD1 ILE 15 1HD1 ILE 15 0.591 10.243 2.860 108 2HD1 ILE 15 2HD1 ILE 15 -0.317 11.083 1.606 109 3HD1 ILE 15 3HD1 ILE 15 -0.715 9.412 2.009 110 H GLU 16 H GLU 16 -1.269 12.246 7.529 111 HA GLU 16 HA GLU 16 0.530 14.523 8.011 112 1HB GLU 16 2HB GLU 16 -1.071 15.343 9.896 113 2HB GLU 16 1HB GLU 16 -1.410 15.822 8.232 114 1HG GLU 16 2HG GLU 16 -3.130 14.201 7.998 115 2HG GLU 16 1HG GLU 16 -2.619 13.335 9.447 116 H GLY 17 H GLY 17 1.439 12.160 8.417 117 1HA GLY 17 2HA GLY 17 2.053 11.954 11.182 118 2HA GLY 17 1HA GLY 17 0.815 10.753 10.808 119 H ARG 18 H ARG 18 1.387 8.957 9.697 120 HA ARG 18 HA ARG 18 4.248 8.722 8.855 121 1HB ARG 18 2HB ARG 18 2.243 6.740 9.925 122 2HB ARG 18 1HB ARG 18 3.585 6.185 8.921 123 1HG ARG 18 2HG ARG 18 5.171 7.325 10.468 124 2HG ARG 18 1HG ARG 18 3.809 7.759 11.501 125 1HD ARG 18 2HD ARG 18 3.514 5.600 12.253 126 2HD ARG 18 1HD ARG 18 4.078 4.883 10.743 127 HE ARG 18 HE ARG 18 6.351 6.055 11.788 128 1HH1 ARG 18 1HH2 ARG 18 3.924 3.881 12.913 129 2HH1 ARG 18 2HH2 ARG 18 4.991 3.031 13.980 130 1HH2 ARG 18 1HH1 ARG 18 7.760 4.957 13.176 131 2HH2 ARG 18 2HH1 ARG 18 7.162 3.640 14.129 132 H VAL 19 H VAL 19 4.603 8.344 6.678 133 HA VAL 19 HA VAL 19 2.149 8.024 4.987 134 HB VAL 19 HB VAL 19 4.797 9.307 4.260 135 1HG1 VAL 19 1HG1 VAL 19 2.304 8.644 2.767 136 2HG1 VAL 19 2HG1 VAL 19 3.962 8.788 2.180 137 3HG1 VAL 19 3HG1 VAL 19 2.996 10.237 2.470 138 1HG2 VAL 19 1HG2 VAL 19 3.858 11.391 4.704 139 2HG2 VAL 19 2HG2 VAL 19 3.134 10.432 5.994 140 3HG2 VAL 19 3HG2 VAL 19 2.208 10.794 4.538 141 H VAL 20 H VAL 20 2.391 6.812 3.011 142 HA VAL 20 HA VAL 20 4.636 4.836 3.071 143 HB VAL 20 HB VAL 20 1.686 4.416 2.640 144 1HG1 VAL 20 1HG1 VAL 20 2.530 2.069 1.789 145 2HG1 VAL 20 2HG1 VAL 20 3.980 2.967 1.336 146 3HG1 VAL 20 3HG1 VAL 20 2.416 3.412 0.653 147 1HG2 VAL 20 1HG2 VAL 20 1.947 2.722 4.251 148 2HG2 VAL 20 2HG2 VAL 20 3.072 3.957 4.812 149 3HG2 VAL 20 3HG2 VAL 20 3.673 2.555 3.932 150 H ASN 21 H ASN 21 5.881 5.213 1.308 151 HA ASN 21 HA ASN 21 4.708 6.674 -0.967 152 1HB ASN 21 2HB ASN 21 7.531 5.780 -0.382 153 2HB ASN 21 1HB ASN 21 7.062 6.713 -1.798 154 1HD2 ASN 21 1HD2 ASN 21 5.921 7.035 1.598 155 2HD2 ASN 21 2HD2 ASN 21 6.421 8.647 1.773 156 H ALA 22 H ALA 22 3.559 5.372 -2.294 157 HA ALA 22 HA ALA 22 4.968 3.060 -3.515 158 1HB ALA 22 1HB ALA 22 3.100 1.571 -3.189 159 2HB ALA 22 2HB ALA 22 2.118 2.868 -2.507 160 3HB ALA 22 3HB ALA 22 3.504 2.245 -1.608 161 H MET 23 H MET 23 3.923 2.442 -5.590 162 HA MET 23 HA MET 23 2.995 3.051 -7.658 163 1HB MET 23 2HB MET 23 1.087 4.795 -6.098 164 2HB MET 23 1HB MET 23 0.797 3.967 -7.625 165 1HG MET 23 2HG MET 23 1.400 2.408 -5.112 166 2HG MET 23 1HG MET 23 -0.235 2.944 -5.480 167 1HE MET 23 1HE MET 23 2.022 0.288 -5.480 168 2HE MET 23 2HE MET 23 1.279 -0.914 -6.532 169 3HE MET 23 3HE MET 23 0.349 -0.218 -5.206 170 H GLY 24 H GLY 24 4.900 4.777 -6.024 171 1HA GLY 24 2HA GLY 24 6.122 6.746 -6.473 172 2HA GLY 24 1HA GLY 24 5.186 6.895 -7.963 173 H LYS 25 H LYS 25 3.546 6.497 -4.968 174 HA LYS 25 HA LYS 25 2.811 9.401 -4.902 175 1HB LYS 25 2HB LYS 25 0.979 7.003 -4.565 176 2HB LYS 25 1HB LYS 25 0.497 8.683 -4.363 177 1HG LYS 25 2HG LYS 25 1.763 8.582 -6.884 178 2HG LYS 25 1HG LYS 25 0.751 7.139 -6.811 179 1HD LYS 25 2HD LYS 25 -1.148 8.629 -6.043 180 2HD LYS 25 1HD LYS 25 -0.120 10.012 -6.418 181 1HE LYS 25 2HE LYS 25 -1.241 7.944 -8.306 182 2HE LYS 25 1HE LYS 25 -1.383 9.700 -8.390 183 1HZ LYS 25 1HZ LYS 25 1.183 8.234 -8.649 184 2HZ LYS 25 2HZ LYS 25 0.914 9.890 -8.919 185 3HZ LYS 25 3HZ LYS 25 0.245 8.735 -9.970 186 H GLN 26 H GLN 26 1.003 8.970 -2.740 187 HA GLN 26 HA GLN 26 2.741 8.028 -0.507 188 1HB GLN 26 2HB GLN 26 1.362 10.694 -0.874 189 2HB GLN 26 1HB GLN 26 1.736 10.086 0.732 190 1HG GLN 26 2HG GLN 26 4.002 10.390 0.472 191 2HG GLN 26 1HG GLN 26 3.967 9.932 -1.226 192 1HE2 GLN 26 1HE2 GLN 26 1.571 12.258 -0.796 193 2HE2 GLN 26 2HE2 GLN 26 2.466 13.633 -1.225 194 H TRP 27 H TRP 27 1.429 7.050 1.184 195 HA TRP 27 HA TRP 27 -1.522 7.103 0.709 196 1HB TRP 27 2HB TRP 27 0.133 4.587 1.031 197 2HB TRP 27 1HB TRP 27 -1.615 4.662 0.817 198 HD1 TRP 27 HD TRP 27 1.665 5.356 -1.057 199 HE1 TRP 27 1HE TRP 27 1.173 5.368 -3.591 200 HE3 TRP 27 3HE TRP 27 -3.397 4.906 -0.956 201 HZ2 TRP 27 2HZ TRP 27 -1.090 5.209 -5.338 202 HZ3 TRP 27 3HZ TRP 27 -4.706 4.834 -3.048 203 HH2 TRP 27 HH TRP 27 -3.561 4.987 -5.244 204 H HIS 28 H HIS 28 -2.736 6.996 2.615 205 HA HIS 28 HA HIS 28 -1.475 7.483 5.131 206 1HB HIS 28 2HB HIS 28 -4.196 6.392 4.381 207 2HB HIS 28 1HB HIS 28 -3.704 6.491 6.066 208 HD2 HIS 28 2HD HIS 28 -2.736 9.343 6.644 209 HE1 HIS 28 1HE HIS 28 -5.652 10.883 4.007 210 HE2 HIS 28 2HE HIS 28 -4.041 11.473 5.880 211 H VAL 29 H VAL 29 -0.498 6.021 6.531 212 HA VAL 29 HA VAL 29 0.334 3.488 5.688 213 HB VAL 29 HB VAL 29 -0.123 4.532 8.493 214 1HG1 VAL 29 1HG1 VAL 29 -0.049 2.155 8.657 215 2HG1 VAL 29 2HG1 VAL 29 1.572 2.720 9.069 216 3HG1 VAL 29 3HG1 VAL 29 1.252 2.043 7.472 217 1HG2 VAL 29 1HG2 VAL 29 1.921 4.932 6.427 218 2HG2 VAL 29 2HG2 VAL 29 2.609 4.352 7.945 219 3HG2 VAL 29 3HG2 VAL 29 1.643 5.824 7.918 220 H GLU 30 H GLU 30 -2.706 4.488 6.985 221 HA GLU 30 HA GLU 30 -3.524 1.728 7.595 222 1HB GLU 30 2HB GLU 30 -5.435 4.036 7.645 223 2HB GLU 30 1HB GLU 30 -5.350 2.634 8.711 224 1HG GLU 30 2HG GLU 30 -3.384 4.944 8.653 225 2HG GLU 30 1HG GLU 30 -4.606 4.652 9.889 226 H HIS 31 H HIS 31 -3.867 4.057 5.011 227 HA HIS 31 HA HIS 31 -6.076 2.469 3.813 228 1HB HIS 31 2HB HIS 31 -4.818 5.035 2.802 229 2HB HIS 31 1HB HIS 31 -6.312 4.293 2.233 230 HD2 HIS 31 2HD HIS 31 -7.132 3.635 5.583 231 HE1 HIS 31 1HE HIS 31 -7.696 7.814 5.547 232 HE2 HIS 31 2HE HIS 31 -8.212 5.671 6.799 233 H PHE 32 H PHE 32 -2.706 2.451 3.702 234 HA PHE 32 HA PHE 32 -2.570 1.747 0.849 235 1HB PHE 32 2HB PHE 32 -0.617 2.810 2.126 236 2HB PHE 32 1HB PHE 32 -0.405 1.241 2.907 237 HD1 PHE 32 1HD PHE 32 1.169 -0.164 1.914 238 HD2 PHE 32 2HD PHE 32 -1.077 2.521 -0.573 239 HE1 PHE 32 1HE PHE 32 2.328 -1.045 -0.092 240 HE2 PHE 32 2HE PHE 32 0.086 1.647 -2.569 241 HZ PHE 32 HZ PHE 32 1.793 -0.136 -2.333 242 H VAL 33 H VAL 33 -3.690 -0.066 0.440 243 HA VAL 33 HA VAL 33 -3.113 -2.479 2.106 244 HB VAL 33 HB VAL 33 -5.443 -3.146 1.752 245 1HG1 VAL 33 1HG1 VAL 33 -5.787 -2.015 3.673 246 2HG1 VAL 33 2HG1 VAL 33 -6.314 -0.644 2.701 247 3HG1 VAL 33 3HG1 VAL 33 -4.633 -0.759 3.216 248 1HG2 VAL 33 1HG2 VAL 33 -5.840 -2.166 -0.426 249 2HG2 VAL 33 2HG2 VAL 33 -5.570 -0.540 0.208 250 3HG2 VAL 33 3HG2 VAL 33 -6.997 -1.453 0.700 251 H CYS 34 H CYS 34 -4.020 -4.450 0.899 252 HA CYS 34 HA CYS 34 -2.533 -4.827 -1.526 253 1HB CYS 34 2HB CYS 34 -2.896 -6.753 -0.281 254 2HB CYS 34 1HB CYS 34 -4.585 -6.383 0.016 255 H ALA 35 H ALA 35 -3.294 -5.024 -3.660 256 HA ALA 35 HA ALA 35 -5.747 -3.472 -4.230 257 1HB ALA 35 1HB ALA 35 -3.890 -4.665 -6.278 258 2HB ALA 35 2HB ALA 35 -3.427 -3.218 -5.380 259 3HB ALA 35 3HB ALA 35 -4.871 -3.204 -6.397 260 H LYS 36 H LYS 36 -5.805 -6.247 -3.133 261 HA LYS 36 HA LYS 36 -7.474 -7.488 -5.285 262 1HB LYS 36 2HB LYS 36 -5.012 -8.471 -4.490 263 2HB LYS 36 1HB LYS 36 -6.114 -9.394 -3.485 264 1HG LYS 36 2HG LYS 36 -6.386 -9.118 -6.492 265 2HG LYS 36 1HG LYS 36 -5.625 -10.479 -5.679 266 1HD LYS 36 2HD LYS 36 -7.725 -10.913 -4.457 267 2HD LYS 36 1HD LYS 36 -8.489 -9.582 -5.325 268 1HE LYS 36 2HE LYS 36 -7.968 -10.745 -7.475 269 2HE LYS 36 1HE LYS 36 -7.343 -12.108 -6.546 270 1HZ LYS 36 1HZ LYS 36 -9.462 -12.804 -6.741 271 2HZ LYS 36 2HZ LYS 36 -10.088 -11.239 -6.954 272 3HZ LYS 36 3HZ LYS 36 -9.707 -11.799 -5.397 273 H CYS 37 H CYS 37 -6.701 -7.290 -1.838 274 HA CYS 37 HA CYS 37 -9.521 -8.122 -1.235 275 1HB CYS 37 2HB CYS 37 -8.681 -9.250 0.751 276 2HB CYS 37 1HB CYS 37 -7.792 -9.828 -0.655 277 H GLU 38 H GLU 38 -7.040 -5.771 -0.792 278 HA GLU 38 HA GLU 38 -7.142 -3.701 0.247 279 1HB GLU 38 2HB GLU 38 -9.867 -4.346 1.355 280 2HB GLU 38 1HB GLU 38 -9.200 -2.780 0.904 281 1HG GLU 38 2HG GLU 38 -9.058 -3.941 -1.503 282 2HG GLU 38 1HG GLU 38 -10.379 -4.904 -0.839 283 H LYS 39 H LYS 39 -5.818 -5.730 1.507 284 HA LYS 39 HA LYS 39 -6.633 -5.551 4.365 285 1HB LYS 39 2HB LYS 39 -4.983 -7.454 2.766 286 2HB LYS 39 1HB LYS 39 -4.502 -7.192 4.443 287 1HG LYS 39 2HG LYS 39 -7.164 -7.512 4.812 288 2HG LYS 39 1HG LYS 39 -6.959 -8.485 3.358 289 1HD LYS 39 2HD LYS 39 -4.971 -9.571 4.592 290 2HD LYS 39 1HD LYS 39 -5.635 -8.821 6.045 291 1HE LYS 39 2HE LYS 39 -6.576 -11.020 5.954 292 2HE LYS 39 1HE LYS 39 -7.856 -9.921 5.440 293 1HZ LYS 39 1HZ LYS 39 -7.223 -12.052 4.057 294 2HZ LYS 39 2HZ LYS 39 -6.079 -10.993 3.383 295 3HZ LYS 39 3HZ LYS 39 -7.735 -10.623 3.301 296 HA PRO 40 HA PRO 40 -3.574 -2.259 4.276 297 1HB PRO 40 2HB PRO 40 -4.064 -1.636 6.974 298 2HB PRO 40 1HB PRO 40 -4.744 -0.813 5.589 299 1HG PRO 40 2HG PRO 40 -6.051 -2.588 7.460 300 2HG PRO 40 1HG PRO 40 -6.785 -1.655 6.161 301 1HD PRO 40 2HD PRO 40 -6.316 -4.492 6.246 302 2HD PRO 40 1HD PRO 40 -7.008 -3.563 4.908 303 H PHE 41 H PHE 41 -1.495 -2.277 4.780 304 HA PHE 41 HA PHE 41 -0.503 -4.384 6.643 305 1HB PHE 41 2HB PHE 41 1.376 -2.659 5.086 306 2HB PHE 41 1HB PHE 41 1.477 -4.379 5.457 307 HD1 PHE 41 1HD PHE 41 -0.351 -5.901 4.375 308 HD2 PHE 41 2HD PHE 41 0.683 -1.989 2.966 309 HE1 PHE 41 1HE PHE 41 -1.292 -6.456 2.145 310 HE2 PHE 41 2HE PHE 41 -0.254 -2.534 0.737 311 HZ PHE 41 HZ PHE 41 -1.232 -4.770 0.324 312 H LEU 42 H LEU 42 -1.605 -2.640 8.203 313 HA LEU 42 HA LEU 42 -0.585 -0.185 8.901 314 1HB LEU 42 2HB LEU 42 -1.487 -2.516 10.563 315 2HB LEU 42 1HB LEU 42 -0.791 -1.118 11.378 316 HG LEU 42 HG LEU 42 -2.440 0.356 10.299 317 1HD1 LEU 42 1HD1 LEU 42 -3.248 -2.207 8.946 318 2HD1 LEU 42 2HD1 LEU 42 -2.744 -0.685 8.203 319 3HD1 LEU 42 3HD1 LEU 42 -4.308 -0.795 9.018 320 1HD2 LEU 42 1HD2 LEU 42 -3.270 -0.465 12.362 321 2HD2 LEU 42 2HD2 LEU 42 -3.487 -2.094 11.720 322 3HD2 LEU 42 3HD2 LEU 42 -4.573 -0.797 11.220 323 H GLY 43 H GLY 43 0.808 -3.251 10.083 324 1HA GLY 43 2HA GLY 43 3.470 -1.881 10.196 325 2HA GLY 43 1HA GLY 43 2.922 -2.923 11.508 326 H HIS 44 H HIS 44 2.129 -3.719 8.217 327 HA HIS 44 HA HIS 44 4.061 -6.008 8.368 328 1HB HIS 44 2HB HIS 44 1.262 -5.776 7.287 329 2HB HIS 44 1HB HIS 44 2.357 -6.992 6.630 330 HD1 HIS 44 1HD HIS 44 1.430 -9.090 7.699 331 HD2 HIS 44 2HD HIS 44 2.107 -6.061 10.478 332 HE1 HIS 44 1HE HIS 44 1.082 -10.126 9.983 333 H ARG 45 H ARG 45 4.933 -6.724 6.283 334 HA ARG 45 HA ARG 45 5.799 -4.475 4.647 335 1HB ARG 45 2HB ARG 45 7.456 -6.121 4.854 336 2HB ARG 45 1HB ARG 45 6.305 -7.443 4.675 337 1HG ARG 45 2HG ARG 45 6.114 -7.089 2.322 338 2HG ARG 45 1HG ARG 45 6.923 -5.527 2.417 339 1HD ARG 45 2HD ARG 45 8.985 -6.741 3.226 340 2HD ARG 45 1HD ARG 45 8.155 -8.257 2.870 341 HE ARG 45 HE ARG 45 7.966 -6.827 0.504 342 1HH1 ARG 45 1HH2 ARG 45 10.481 -7.767 2.667 343 2HH1 ARG 45 2HH2 ARG 45 11.689 -7.872 1.429 344 1HH2 ARG 45 1HH1 ARG 45 9.528 -6.959 -1.125 345 2HH2 ARG 45 2HH1 ARG 45 11.148 -7.415 -0.718 346 H HIS 46 H HIS 46 5.377 -4.272 2.329 347 HA HIS 46 HA HIS 46 2.814 -5.589 1.500 348 1HB HIS 46 2HB HIS 46 2.574 -3.555 -0.020 349 2HB HIS 46 1HB HIS 46 2.331 -3.281 1.695 350 HD1 HIS 46 1HD HIS 46 4.444 -2.244 3.020 351 HD2 HIS 46 2HD HIS 46 4.659 -2.092 -1.142 352 HE1 HIS 46 1HE HIS 46 6.271 -0.581 2.458 353 H TYR 47 H TYR 47 2.590 -5.597 -0.926 354 HA TYR 47 HA TYR 47 5.196 -6.061 -2.298 355 1HB TYR 47 2HB TYR 47 2.809 -7.903 -2.495 356 2HB TYR 47 1HB TYR 47 4.432 -8.194 -3.089 357 HD1 TYR 47 1HD TYR 47 5.979 -9.339 -1.719 358 HD2 TYR 47 2HD TYR 47 2.584 -7.422 0.082 359 HE1 TYR 47 1HE TYR 47 6.641 -10.215 0.504 360 HE2 TYR 47 2HE TYR 47 3.261 -8.298 2.292 361 HH TYR 47 HH TYR 47 5.950 -10.555 2.628 362 H GLU 48 H GLU 48 5.185 -5.299 -4.413 363 HA GLU 48 HA GLU 48 2.611 -4.085 -5.343 364 1HB GLU 48 2HB GLU 48 5.484 -3.271 -5.568 365 2HB GLU 48 1HB GLU 48 4.359 -2.763 -6.828 366 1HG GLU 48 2HG GLU 48 2.881 -1.788 -5.108 367 2HG GLU 48 1HG GLU 48 4.025 -2.268 -3.856 368 H ARG 49 H ARG 49 1.917 -4.372 -7.431 369 HA ARG 49 HA ARG 49 3.551 -6.027 -9.274 370 1HB ARG 49 2HB ARG 49 2.254 -7.744 -8.246 371 2HB ARG 49 1HB ARG 49 0.800 -6.757 -8.279 372 1HG ARG 49 2HG ARG 49 0.509 -6.993 -10.586 373 2HG ARG 49 1HG ARG 49 2.196 -7.424 -10.846 374 1HD ARG 49 2HD ARG 49 0.334 -9.156 -9.247 375 2HD ARG 49 1HD ARG 49 0.472 -9.325 -10.992 376 HE ARG 49 HE ARG 49 2.284 -10.367 -9.030 377 1HH1 ARG 49 1HH2 ARG 49 2.308 -8.656 -12.029 378 2HH1 ARG 49 2HH2 ARG 49 3.947 -9.075 -12.395 379 1HH2 ARG 49 1HH1 ARG 49 4.405 -10.925 -9.502 380 2HH2 ARG 49 2HH1 ARG 49 5.131 -10.360 -10.970 381 H LYS 50 H LYS 50 3.243 -5.454 -11.380 382 HA LYS 50 HA LYS 50 2.629 -4.026 -13.133 383 1HB LYS 50 2HB LYS 50 -0.050 -4.937 -12.046 384 2HB LYS 50 1HB LYS 50 0.146 -4.089 -13.580 385 1HG LYS 50 2HG LYS 50 1.853 -5.949 -14.164 386 2HG LYS 50 1HG LYS 50 1.141 -6.833 -12.814 387 1HD LYS 50 2HD LYS 50 -0.428 -5.714 -15.154 388 2HD LYS 50 1HD LYS 50 0.068 -7.399 -14.992 389 1HE LYS 50 2HE LYS 50 -1.142 -7.380 -12.732 390 2HE LYS 50 1HE LYS 50 -1.854 -5.851 -13.247 391 1HZ LYS 50 1HZ LYS 50 -2.403 -8.539 -14.150 392 2HZ LYS 50 2HZ LYS 50 -2.245 -7.400 -15.401 393 3HZ LYS 50 3HZ LYS 50 -3.393 -7.162 -14.173 394 H GLY 51 H GLY 51 2.833 -2.919 -10.322 395 1HA GLY 51 2HA GLY 51 2.804 -0.625 -9.673 396 2HA GLY 51 1HA GLY 51 1.732 -0.291 -11.027 397 H LEU 52 H LEU 52 1.161 -2.886 -8.782 398 HA LEU 52 HA LEU 52 -0.954 -1.311 -7.412 399 1HB LEU 52 2HB LEU 52 -1.314 -3.846 -8.991 400 2HB LEU 52 1HB LEU 52 -2.375 -3.499 -7.629 401 HG LEU 52 HG LEU 52 -1.924 -1.698 -10.026 402 1HD1 LEU 52 1HD1 LEU 52 -4.423 -2.285 -10.331 403 2HD1 LEU 52 2HD1 LEU 52 -4.107 -3.622 -9.223 404 3HD1 LEU 52 3HD1 LEU 52 -3.240 -3.524 -10.756 405 1HD2 LEU 52 1HD2 LEU 52 -3.247 -1.338 -7.385 406 2HD2 LEU 52 2HD2 LEU 52 -4.179 -0.793 -8.782 407 3HD2 LEU 52 3HD2 LEU 52 -2.573 -0.131 -8.482 408 H ALA 53 H ALA 53 -1.275 -1.936 -5.284 409 HA ALA 53 HA ALA 53 0.880 -3.491 -4.107 410 1HB ALA 53 1HB ALA 53 -0.395 -3.053 -1.960 411 2HB ALA 53 2HB ALA 53 -1.589 -2.196 -2.943 412 3HB ALA 53 3HB ALA 53 0.073 -1.604 -2.857 413 H TYR 54 H TYR 54 0.684 -5.396 -2.880 414 HA TYR 54 HA TYR 54 -1.854 -6.872 -2.903 415 1HB TYR 54 2HB TYR 54 0.586 -7.717 -4.465 416 2HB TYR 54 1HB TYR 54 -0.609 -8.880 -3.906 417 HD1 TYR 54 1HD TYR 54 0.180 -6.358 -6.334 418 HD2 TYR 54 2HD TYR 54 -3.018 -8.571 -4.563 419 HE1 TYR 54 1HE TYR 54 -1.264 -5.778 -8.230 420 HE2 TYR 54 2HE TYR 54 -4.492 -7.965 -6.478 421 HH TYR 54 HH TYR 54 -3.232 -6.414 -9.328 422 H CYS 55 H CYS 55 -1.938 -8.187 -1.056 423 HA CYS 55 HA CYS 55 0.046 -7.872 0.939 424 1HB CYS 55 2HB CYS 55 -1.653 -10.378 0.680 425 2HB CYS 55 1HB CYS 55 -1.032 -9.643 2.155 426 H GLU 56 H GLU 56 1.341 -9.897 1.803 427 HA GLU 56 HA GLU 56 3.277 -10.705 -0.112 428 1HB GLU 56 2HB GLU 56 3.496 -10.828 2.420 429 2HB GLU 56 1HB GLU 56 2.505 -12.276 2.361 430 1HG GLU 56 2HG GLU 56 4.122 -13.481 1.126 431 2HG GLU 56 1HG GLU 56 4.998 -12.017 0.681 432 H THR 57 H THR 57 0.236 -12.179 0.865 433 HA THR 57 HA THR 57 0.769 -14.637 -0.640 434 HB THR 57 HB THR 57 -1.702 -13.701 0.832 435 HG1 THR 57 1HG THR 57 -0.580 -15.782 1.943 436 1HG2 THR 57 1HG2 THR 57 -0.985 -16.312 -0.515 437 2HG2 THR 57 2HG2 THR 57 -2.396 -15.295 -0.810 438 3HG2 THR 57 3HG2 THR 57 -2.253 -16.185 0.706 439 H HIS 58 H HIS 58 -1.574 -11.941 -0.942 440 HA HIS 58 HA HIS 58 -2.745 -13.013 -3.308 441 1HB HIS 58 2HB HIS 58 -2.616 -10.209 -2.201 442 2HB HIS 58 1HB HIS 58 -3.508 -10.615 -3.666 443 HD2 HIS 58 2HD HIS 58 -4.784 -13.500 -2.567 444 HE1 HIS 58 1HE HIS 58 -6.488 -11.143 0.490 445 HE2 HIS 58 2HE HIS 58 -6.578 -13.392 -0.680 446 H TYR 59 H TYR 59 -0.054 -10.777 -2.769 447 HA TYR 59 HA TYR 59 0.455 -10.104 -5.453 448 1HB TYR 59 2HB TYR 59 1.734 -9.111 -3.635 449 2HB TYR 59 1HB TYR 59 2.331 -10.678 -3.134 450 HD1 TYR 59 1HD TYR 59 1.974 -9.472 -6.636 451 HD2 TYR 59 2HD TYR 59 4.678 -10.403 -3.430 452 HE1 TYR 59 1HE TYR 59 3.860 -9.270 -8.166 453 HE2 TYR 59 2HE TYR 59 6.589 -10.181 -4.991 454 HH TYR 59 HH TYR 59 6.747 -8.694 -7.507 455 H ASN 60 H ASN 60 1.852 -12.648 -3.459 456 HA ASN 60 HA ASN 60 3.088 -14.016 -5.601 457 1HB ASN 60 2HB ASN 60 2.268 -14.861 -2.828 458 2HB ASN 60 1HB ASN 60 3.001 -16.005 -3.948 459 1HD2 ASN 60 1HD2 ASN 60 3.622 -13.167 -1.957 460 2HD2 ASN 60 2HD2 ASN 60 5.302 -13.137 -2.196 461 H GLN 61 H GLN 61 -0.073 -14.479 -4.016 462 HA GLN 61 HA GLN 61 -0.871 -16.773 -5.503 463 1HB GLN 61 2HB GLN 61 -2.165 -15.507 -3.610 464 2HB GLN 61 1HB GLN 61 -2.809 -14.531 -4.930 465 1HG GLN 61 2HG GLN 61 -3.537 -16.648 -6.060 466 2HG GLN 61 1HG GLN 61 -3.027 -17.538 -4.625 467 1HE2 GLN 61 1HE2 GLN 61 -4.911 -14.496 -5.178 468 2HE2 GLN 61 2HE2 GLN 61 -6.180 -14.928 -4.137 469 H LEU 62 H LEU 62 -0.784 -13.375 -6.250 470 HA LEU 62 HA LEU 62 -2.021 -13.640 -8.872 471 1HB LEU 62 2HB LEU 62 -0.729 -11.466 -7.285 472 2HB LEU 62 1HB LEU 62 -0.721 -11.272 -9.030 473 HG LEU 62 HG LEU 62 -3.220 -11.769 -8.962 474 1HD1 LEU 62 1HD1 LEU 62 -4.385 -11.705 -6.940 475 2HD1 LEU 62 2HD1 LEU 62 -3.037 -10.966 -6.075 476 3HD1 LEU 62 3HD1 LEU 62 -2.970 -12.670 -6.539 477 1HD2 LEU 62 1HD2 LEU 62 -2.536 -9.513 -9.343 478 2HD2 LEU 62 2HD2 LEU 62 -2.048 -9.312 -7.660 479 3HD2 LEU 62 3HD2 LEU 62 -3.761 -9.452 -8.071 480 H PHE 63 H PHE 63 1.259 -13.530 -7.591 481 HA PHE 63 HA PHE 63 2.275 -14.762 -10.065 482 1HB PHE 63 2HB PHE 63 2.819 -11.937 -9.261 483 2HB PHE 63 1HB PHE 63 4.137 -12.854 -9.971 484 HD1 PHE 63 1HD PHE 63 0.744 -11.527 -10.522 485 HD2 PHE 63 2HD PHE 63 4.100 -13.517 -12.304 486 HE1 PHE 63 1HE PHE 63 -0.226 -11.139 -12.773 487 HE2 PHE 63 2HE PHE 63 3.134 -13.136 -14.556 488 HZ PHE 63 HZ PHE 63 0.970 -11.945 -14.792 489 H GLY 64 H GLY 64 4.083 -12.824 -7.781 490 1HA GLY 64 2HA GLY 64 5.365 -13.533 -5.889 491 2HA GLY 64 1HA GLY 64 4.973 -15.210 -6.274 492 H ASP 65 H ASP 65 6.172 -12.919 -8.651 493 HA ASP 65 HA ASP 65 8.114 -12.975 -9.967 494 1HB ASP 65 2HB ASP 65 9.042 -12.480 -7.624 495 2HB ASP 65 1HB ASP 65 9.466 -14.191 -7.553 496 H VAL 66 H VAL 66 7.122 -14.715 -11.257 497 HA VAL 66 HA VAL 66 7.462 -17.488 -10.680 498 HB VAL 66 HB VAL 66 7.227 -17.729 -13.221 499 1HG1 VAL 66 1HG1 VAL 66 5.242 -16.165 -11.554 500 2HG1 VAL 66 2HG1 VAL 66 5.264 -17.903 -11.855 501 3HG1 VAL 66 3HG1 VAL 66 4.861 -16.786 -13.159 502 1HG2 VAL 66 1HG2 VAL 66 6.743 -14.742 -13.038 503 2HG2 VAL 66 2HG2 VAL 66 6.720 -15.742 -14.491 504 3HG2 VAL 66 3HG2 VAL 66 8.241 -15.444 -13.650 Start of MODEL 5 1 1H GLY 1 1HT GLY 1 9.978 25.164 5.110 2 2H GLY 1 2HT GLY 1 10.979 26.390 5.728 3 3H GLY 1 3HT GLY 1 10.812 24.923 6.567 4 1HA GLY 1 2HA GLY 1 12.579 25.605 4.426 5 2HA GLY 1 1HA GLY 1 12.648 24.242 5.545 6 H SER 2 H SER 2 10.078 23.138 4.949 7 HA SER 2 HA SER 2 9.841 22.691 2.089 8 1HB SER 2 2HB SER 2 10.887 20.383 3.751 9 2HB SER 2 1HB SER 2 10.574 20.386 2.017 10 HG SER 2 HG SER 2 12.693 21.417 3.463 11 H MET 3 H MET 3 9.178 19.770 3.456 12 HA MET 3 HA MET 3 7.136 18.737 3.989 13 1HB MET 3 2HB MET 3 7.103 21.258 5.654 14 2HB MET 3 1HB MET 3 5.793 20.080 5.739 15 1HG MET 3 2HG MET 3 7.504 19.653 7.477 16 2HG MET 3 1HG MET 3 7.398 18.314 6.333 17 1HE MET 3 1HE MET 3 9.694 17.186 5.769 18 2HE MET 3 2HE MET 3 9.487 17.611 7.466 19 3HE MET 3 3HE MET 3 11.039 17.885 6.681 20 H GLY 4 H GLY 4 5.990 18.714 2.057 21 1HA GLY 4 2HA GLY 4 4.309 21.111 1.440 22 2HA GLY 4 1HA GLY 4 4.811 19.913 0.246 23 H VAL 5 H VAL 5 3.926 18.658 3.293 24 HA VAL 5 HA VAL 5 2.146 17.298 3.947 25 HB VAL 5 HB VAL 5 0.891 19.607 2.549 26 1HG1 VAL 5 1HG1 VAL 5 -0.548 17.952 1.632 27 2HG1 VAL 5 2HG1 VAL 5 -1.370 18.526 3.082 28 3HG1 VAL 5 3HG1 VAL 5 -0.503 16.988 3.113 29 1HG2 VAL 5 1HG2 VAL 5 0.597 18.238 5.238 30 2HG2 VAL 5 2HG2 VAL 5 -0.374 19.624 4.740 31 3HG2 VAL 5 3HG2 VAL 5 1.377 19.788 4.911 32 HA PRO 6 HA PRO 6 2.025 14.560 0.406 33 1HB PRO 6 2HB PRO 6 1.536 12.343 2.091 34 2HB PRO 6 1HB PRO 6 3.117 12.882 1.522 35 1HG PRO 6 2HG PRO 6 2.100 13.006 4.215 36 2HG PRO 6 1HG PRO 6 3.672 13.539 3.618 37 1HD PRO 6 2HD PRO 6 1.326 15.153 4.307 38 2HD PRO 6 1HD PRO 6 2.987 15.670 4.009 39 H ILE 7 H ILE 7 0.382 13.035 -0.385 40 HA ILE 7 HA ILE 7 -2.268 13.399 0.915 41 HB ILE 7 HB ILE 7 -1.496 14.055 -1.920 42 1HG1 ILE 7 2HG1 ILE 7 -3.233 15.397 0.155 43 2HG1 ILE 7 1HG1 ILE 7 -1.536 15.767 -0.083 44 1HG2 ILE 7 1HG2 ILE 7 -4.150 13.149 -0.813 45 2HG2 ILE 7 2HG2 ILE 7 -3.337 12.618 -2.285 46 3HG2 ILE 7 3HG2 ILE 7 -4.064 14.223 -2.210 47 1HD1 ILE 7 1HD1 ILE 7 -3.301 17.274 -1.240 48 2HD1 ILE 7 2HD1 ILE 7 -3.502 15.928 -2.364 49 3HD1 ILE 7 3HD1 ILE 7 -1.932 16.718 -2.205 50 H CYS 8 H CYS 8 -3.107 11.500 1.289 51 HA CYS 8 HA CYS 8 -1.998 9.070 0.364 52 1HB CYS 8 2HB CYS 8 -3.239 9.086 2.417 53 2HB CYS 8 1HB CYS 8 -4.679 9.683 1.603 54 H GLY 9 H GLY 9 -2.144 8.158 -1.553 55 1HA GLY 9 2HA GLY 9 -3.844 9.155 -3.635 56 2HA GLY 9 1HA GLY 9 -2.889 7.680 -3.727 57 H ALA 10 H ALA 10 -4.624 7.372 -0.970 58 HA ALA 10 HA ALA 10 -6.529 5.543 -2.260 59 1HB ALA 10 1HB ALA 10 -5.184 5.243 -0.004 60 2HB ALA 10 2HB ALA 10 -6.813 4.593 -0.158 61 3HB ALA 10 3HB ALA 10 -6.549 6.120 0.683 62 H CYS 11 H CYS 11 -6.586 8.604 -0.517 63 HA CYS 11 HA CYS 11 -9.462 8.901 -1.299 64 1HB CYS 11 2HB CYS 11 -9.402 10.424 0.908 65 2HB CYS 11 1HB CYS 11 -9.771 8.708 0.994 66 H ARG 12 H ARG 12 -6.371 9.980 -1.714 67 HA ARG 12 HA ARG 12 -5.461 11.978 -2.505 68 1HB ARG 12 2HB ARG 12 -8.358 12.198 -3.340 69 2HB ARG 12 1HB ARG 12 -7.250 13.539 -3.614 70 1HG ARG 12 2HG ARG 12 -7.088 12.319 -5.610 71 2HG ARG 12 1HG ARG 12 -5.699 11.742 -4.692 72 1HD ARG 12 2HD ARG 12 -7.685 10.029 -3.847 73 2HD ARG 12 1HD ARG 12 -8.133 10.295 -5.529 74 HE ARG 12 HE ARG 12 -6.108 8.552 -4.735 75 1HH1 ARG 12 1HH2 ARG 12 -6.339 11.399 -6.681 76 2HH1 ARG 12 2HH2 ARG 12 -4.940 11.016 -7.625 77 1HH2 ARG 12 1HH1 ARG 12 -4.297 8.045 -5.966 78 2HH2 ARG 12 2HH1 ARG 12 -3.790 9.122 -7.225 79 H ARG 13 H ARG 13 -6.119 11.741 0.226 80 HA ARG 13 HA ARG 13 -7.044 14.486 0.954 81 1HB ARG 13 2HB ARG 13 -7.563 11.845 2.049 82 2HB ARG 13 1HB ARG 13 -6.840 12.873 3.280 83 1HG ARG 13 2HG ARG 13 -9.188 13.237 3.466 84 2HG ARG 13 1HG ARG 13 -8.564 14.639 2.624 85 1HD ARG 13 2HD ARG 13 -9.925 14.235 0.887 86 2HD ARG 13 1HD ARG 13 -9.170 12.668 0.648 87 HE ARG 13 HE ARG 13 -11.802 13.004 1.510 88 1HH1 ARG 13 1HH2 ARG 13 -8.942 11.551 2.800 89 2HH1 ARG 13 2HH2 ARG 13 -9.811 10.412 3.768 90 1HH2 ARG 13 1HH1 ARG 13 -12.930 11.527 2.765 91 2HH2 ARG 13 2HH1 ARG 13 -12.061 10.398 3.750 92 HA PRO 14 HA PRO 14 -2.819 15.375 1.911 93 1HB PRO 14 2HB PRO 14 -3.576 17.051 4.153 94 2HB PRO 14 1HB PRO 14 -2.945 17.527 2.575 95 1HG PRO 14 2HG PRO 14 -5.618 17.841 3.498 96 2HG PRO 14 1HG PRO 14 -4.992 18.182 1.877 97 1HD PRO 14 2HD PRO 14 -6.722 16.001 2.690 98 2HD PRO 14 1HD PRO 14 -6.137 16.394 1.059 99 H ILE 15 H ILE 15 -1.698 13.750 2.850 100 HA ILE 15 HA ILE 15 -2.628 12.408 5.252 101 HB ILE 15 HB ILE 15 0.072 12.312 3.865 102 1HG1 ILE 15 2HG1 ILE 15 -1.920 10.090 3.832 103 2HG1 ILE 15 1HG1 ILE 15 -2.239 11.486 2.807 104 1HG2 ILE 15 1HG2 ILE 15 -1.100 10.826 6.202 105 2HG2 ILE 15 2HG2 ILE 15 0.521 11.487 6.016 106 3HG2 ILE 15 3HG2 ILE 15 0.058 10.022 5.144 107 1HD1 ILE 15 1HD1 ILE 15 0.507 10.280 2.780 108 2HD1 ILE 15 2HD1 ILE 15 -0.349 11.132 1.500 109 3HD1 ILE 15 3HD1 ILE 15 -0.787 9.470 1.893 110 H GLU 16 H GLU 16 -1.406 12.397 7.344 111 HA GLU 16 HA GLU 16 0.439 14.623 7.825 112 1HB GLU 16 2HB GLU 16 -1.188 15.557 9.642 113 2HB GLU 16 1HB GLU 16 -1.438 16.017 7.957 114 1HG GLU 16 2HG GLU 16 -3.241 14.516 7.688 115 2HG GLU 16 1HG GLU 16 -2.808 13.600 9.133 116 H GLY 17 H GLY 17 1.242 12.252 8.316 117 1HA GLY 17 2HA GLY 17 1.709 12.078 11.128 118 2HA GLY 17 1HA GLY 17 0.509 10.866 10.668 119 H ARG 18 H ARG 18 1.178 9.069 9.614 120 HA ARG 18 HA ARG 18 4.073 8.915 8.863 121 1HB ARG 18 2HB ARG 18 2.150 6.830 9.908 122 2HB ARG 18 1HB ARG 18 3.633 6.388 9.054 123 1HG ARG 18 2HG ARG 18 4.901 7.829 10.699 124 2HG ARG 18 1HG ARG 18 3.403 7.978 11.618 125 1HD ARG 18 2HD ARG 18 3.600 5.882 12.470 126 2HD ARG 18 1HD ARG 18 4.040 5.199 10.904 127 HE ARG 18 HE ARG 18 6.309 6.577 11.664 128 1HH1 ARG 18 1HH2 ARG 18 4.235 4.216 13.082 129 2HH1 ARG 18 2HH2 ARG 18 5.493 3.477 14.016 130 1HH2 ARG 18 1HH1 ARG 18 7.965 5.624 12.873 131 2HH2 ARG 18 2HH1 ARG 18 7.604 4.275 13.897 132 H VAL 19 H VAL 19 4.409 8.723 6.717 133 HA VAL 19 HA VAL 19 2.034 8.186 4.994 134 HB VAL 19 HB VAL 19 4.710 9.410 4.271 135 1HG1 VAL 19 1HG1 VAL 19 2.945 10.297 2.422 136 2HG1 VAL 19 2HG1 VAL 19 2.232 8.722 2.763 137 3HG1 VAL 19 3HG1 VAL 19 3.900 8.829 2.197 138 1HG2 VAL 19 1HG2 VAL 19 3.091 10.632 5.943 139 2HG2 VAL 19 2HG2 VAL 19 2.114 10.906 4.501 140 3HG2 VAL 19 3HG2 VAL 19 3.762 11.526 4.580 141 H VAL 20 H VAL 20 2.319 6.911 3.063 142 HA VAL 20 HA VAL 20 4.528 4.900 3.253 143 HB VAL 20 HB VAL 20 1.591 4.531 2.678 144 1HG1 VAL 20 1HG1 VAL 20 3.934 3.007 1.585 145 2HG1 VAL 20 2HG1 VAL 20 2.382 3.366 0.825 146 3HG1 VAL 20 3HG1 VAL 20 2.491 2.106 2.055 147 1HG2 VAL 20 1HG2 VAL 20 2.542 4.193 4.973 148 2HG2 VAL 20 2HG2 VAL 20 3.571 2.923 4.314 149 3HG2 VAL 20 3HG2 VAL 20 1.817 2.734 4.297 150 H ASN 21 H ASN 21 5.846 5.274 1.537 151 HA ASN 21 HA ASN 21 4.754 6.664 -0.823 152 1HB ASN 21 2HB ASN 21 7.545 5.874 -0.002 153 2HB ASN 21 1HB ASN 21 7.181 6.635 -1.549 154 1HD2 ASN 21 1HD2 ASN 21 5.692 7.316 1.647 155 2HD2 ASN 21 2HD2 ASN 21 6.175 8.943 1.696 156 H ALA 22 H ALA 22 3.699 5.325 -2.192 157 HA ALA 22 HA ALA 22 5.215 3.031 -3.310 158 1HB ALA 22 1HB ALA 22 2.319 2.745 -2.481 159 2HB ALA 22 2HB ALA 22 3.652 2.240 -1.441 160 3HB ALA 22 3HB ALA 22 3.422 1.476 -3.015 161 H MET 23 H MET 23 4.267 2.362 -5.427 162 HA MET 23 HA MET 23 3.417 2.936 -7.538 163 1HB MET 23 2HB MET 23 1.421 4.663 -6.069 164 2HB MET 23 1HB MET 23 1.206 3.822 -7.601 165 1HG MET 23 2HG MET 23 1.625 2.420 -4.946 166 2HG MET 23 1HG MET 23 0.049 2.699 -5.679 167 1HE MET 23 1HE MET 23 1.591 -1.113 -5.979 168 2HE MET 23 2HE MET 23 0.387 -0.177 -5.093 169 3HE MET 23 3HE MET 23 2.102 0.147 -4.844 170 H GLY 24 H GLY 24 5.149 4.741 -5.753 171 1HA GLY 24 2HA GLY 24 6.405 6.698 -6.193 172 2HA GLY 24 1HA GLY 24 5.529 6.841 -7.721 173 H LYS 25 H LYS 25 3.617 6.363 -4.961 174 HA LYS 25 HA LYS 25 2.848 9.262 -4.898 175 1HB LYS 25 2HB LYS 25 1.147 6.777 -4.519 176 2HB LYS 25 1HB LYS 25 0.574 8.425 -4.303 177 1HG LYS 25 2HG LYS 25 1.799 8.431 -6.833 178 2HG LYS 25 1HG LYS 25 0.913 6.908 -6.764 179 1HD LYS 25 2HD LYS 25 -0.702 8.421 -7.562 180 2HD LYS 25 1HD LYS 25 -1.055 8.345 -5.841 181 1HE LYS 25 2HE LYS 25 -1.039 10.662 -6.337 182 2HE LYS 25 1HE LYS 25 0.537 10.359 -5.608 183 1HZ LYS 25 1HZ LYS 25 0.550 9.914 -8.428 184 2HZ LYS 25 2HZ LYS 25 1.563 10.899 -7.484 185 3HZ LYS 25 3HZ LYS 25 0.077 11.497 -8.048 186 H GLN 26 H GLN 26 1.045 8.828 -2.755 187 HA GLN 26 HA GLN 26 2.758 8.008 -0.461 188 1HB GLN 26 2HB GLN 26 1.363 10.648 -0.949 189 2HB GLN 26 1HB GLN 26 1.709 10.102 0.685 190 1HG GLN 26 2HG GLN 26 3.996 10.352 0.437 191 2HG GLN 26 1HG GLN 26 3.957 9.946 -1.274 192 1HE2 GLN 26 1HE2 GLN 26 1.552 12.226 -0.865 193 2HE2 GLN 26 2HE2 GLN 26 2.440 13.626 -1.216 194 H TRP 27 H TRP 27 1.420 7.028 1.205 195 HA TRP 27 HA TRP 27 -1.523 7.078 0.682 196 1HB TRP 27 2HB TRP 27 0.110 4.558 1.082 197 2HB TRP 27 1HB TRP 27 -1.629 4.644 0.826 198 HD1 TRP 27 HD TRP 27 1.702 5.218 -0.992 199 HE1 TRP 27 1HE TRP 27 1.266 5.165 -3.536 200 HE3 TRP 27 3HE TRP 27 -3.372 4.914 -0.990 201 HZ2 TRP 27 2HZ TRP 27 -0.964 5.020 -5.327 202 HZ3 TRP 27 3HZ TRP 27 -4.638 4.815 -3.108 203 HH2 TRP 27 HH TRP 27 -3.442 4.872 -5.281 204 H HIS 28 H HIS 28 -2.759 7.008 2.573 205 HA HIS 28 HA HIS 28 -1.526 7.535 5.094 206 1HB HIS 28 2HB HIS 28 -4.243 6.429 4.340 207 2HB HIS 28 1HB HIS 28 -3.760 6.573 6.027 208 HD2 HIS 28 2HD HIS 28 -2.835 9.426 6.577 209 HE1 HIS 28 1HE HIS 28 -5.647 10.925 3.805 210 HE2 HIS 28 2HE HIS 28 -4.103 11.545 5.724 211 H VAL 29 H VAL 29 -0.623 6.089 6.575 212 HA VAL 29 HA VAL 29 0.207 3.526 5.777 213 HB VAL 29 HB VAL 29 -0.163 4.806 8.484 214 1HG1 VAL 29 1HG1 VAL 29 0.716 1.993 7.819 215 2HG1 VAL 29 2HG1 VAL 29 -0.484 2.512 9.003 216 3HG1 VAL 29 3HG1 VAL 29 1.232 2.803 9.299 217 1HG2 VAL 29 1HG2 VAL 29 2.173 5.072 8.404 218 2HG2 VAL 29 2HG2 VAL 29 1.675 5.397 6.743 219 3HG2 VAL 29 3HG2 VAL 29 2.371 3.832 7.172 220 H GLU 30 H GLU 30 -2.850 4.603 6.945 221 HA GLU 30 HA GLU 30 -3.718 1.881 7.659 222 1HB GLU 30 2HB GLU 30 -5.650 4.156 7.533 223 2HB GLU 30 1HB GLU 30 -5.523 2.857 8.719 224 1HG GLU 30 2HG GLU 30 -3.632 5.215 8.461 225 2HG GLU 30 1HG GLU 30 -4.852 4.997 9.714 226 H HIS 31 H HIS 31 -4.053 4.172 5.014 227 HA HIS 31 HA HIS 31 -6.179 2.516 3.781 228 1HB HIS 31 2HB HIS 31 -4.886 5.048 2.727 229 2HB HIS 31 1HB HIS 31 -6.367 4.293 2.140 230 HD2 HIS 31 2HD HIS 31 -7.340 3.741 5.447 231 HE1 HIS 31 1HE HIS 31 -7.774 7.935 5.326 232 HE2 HIS 31 2HE HIS 31 -8.407 5.828 6.588 233 H PHE 32 H PHE 32 -2.805 2.532 3.779 234 HA PHE 32 HA PHE 32 -2.566 1.723 0.964 235 1HB PHE 32 2HB PHE 32 -0.676 2.847 2.318 236 2HB PHE 32 1HB PHE 32 -0.459 1.272 3.088 237 HD1 PHE 32 1HD PHE 32 1.123 -0.142 2.106 238 HD2 PHE 32 2HD PHE 32 -1.034 2.623 -0.376 239 HE1 PHE 32 1HE PHE 32 2.345 -0.960 0.111 240 HE2 PHE 32 2HE PHE 32 0.188 1.802 -2.358 241 HZ PHE 32 HZ PHE 32 1.883 0.009 -2.118 242 H VAL 33 H VAL 33 -3.579 -0.144 0.532 243 HA VAL 33 HA VAL 33 -3.019 -2.484 2.302 244 HB VAL 33 HB VAL 33 -5.338 -3.197 1.998 245 1HG1 VAL 33 1HG1 VAL 33 -6.254 -0.692 2.878 246 2HG1 VAL 33 2HG1 VAL 33 -4.563 -0.740 3.365 247 3HG1 VAL 33 3HG1 VAL 33 -5.667 -2.011 3.885 248 1HG2 VAL 33 1HG2 VAL 33 -6.933 -1.561 0.910 249 2HG2 VAL 33 2HG2 VAL 33 -5.786 -2.310 -0.204 250 3HG2 VAL 33 3HG2 VAL 33 -5.523 -0.657 0.356 251 H CYS 34 H CYS 34 -3.800 -4.518 1.184 252 HA CYS 34 HA CYS 34 -2.362 -4.905 -1.258 253 1HB CYS 34 2HB CYS 34 -2.660 -6.800 0.089 254 2HB CYS 34 1HB CYS 34 -4.368 -6.490 0.324 255 H ALA 35 H ALA 35 -3.186 -5.172 -3.390 256 HA ALA 35 HA ALA 35 -5.701 -3.708 -3.893 257 1HB ALA 35 1HB ALA 35 -3.785 -4.885 -5.909 258 2HB ALA 35 2HB ALA 35 -3.525 -3.315 -5.154 259 3HB ALA 35 3HB ALA 35 -4.949 -3.587 -6.163 260 H LYS 36 H LYS 36 -5.668 -6.479 -2.738 261 HA LYS 36 HA LYS 36 -7.478 -7.723 -4.760 262 1HB LYS 36 2HB LYS 36 -5.289 -8.871 -4.919 263 2HB LYS 36 1HB LYS 36 -5.343 -9.215 -3.197 264 1HG LYS 36 2HG LYS 36 -6.080 -11.170 -4.471 265 2HG LYS 36 1HG LYS 36 -7.425 -10.518 -3.539 266 1HD LYS 36 2HD LYS 36 -8.490 -9.647 -5.431 267 2HD LYS 36 1HD LYS 36 -6.995 -9.579 -6.365 268 1HE LYS 36 2HE LYS 36 -8.650 -11.433 -6.998 269 2HE LYS 36 1HE LYS 36 -6.984 -11.933 -6.713 270 1HZ LYS 36 1HZ LYS 36 -7.999 -12.105 -4.256 271 2HZ LYS 36 2HZ LYS 36 -7.957 -13.406 -5.349 272 3HZ LYS 36 3HZ LYS 36 -9.375 -12.487 -5.171 273 H CYS 37 H CYS 37 -6.456 -7.440 -1.390 274 HA CYS 37 HA CYS 37 -9.146 -8.500 -0.576 275 1HB CYS 37 2HB CYS 37 -8.041 -9.423 1.442 276 2HB CYS 37 1HB CYS 37 -7.351 -10.096 -0.034 277 H GLU 38 H GLU 38 -6.957 -5.891 -0.477 278 HA GLU 38 HA GLU 38 -7.067 -3.847 0.601 279 1HB GLU 38 2HB GLU 38 -9.744 -4.653 1.735 280 2HB GLU 38 1HB GLU 38 -9.173 -3.040 1.313 281 1HG GLU 38 2HG GLU 38 -9.003 -3.956 -1.108 282 2HG GLU 38 1HG GLU 38 -10.035 -5.264 -0.532 283 H LYS 39 H LYS 39 -5.629 -5.785 1.861 284 HA LYS 39 HA LYS 39 -6.386 -5.608 4.735 285 1HB LYS 39 2HB LYS 39 -5.733 -7.826 3.546 286 2HB LYS 39 1HB LYS 39 -4.084 -7.210 3.624 287 1HG LYS 39 2HG LYS 39 -3.926 -7.773 5.800 288 2HG LYS 39 1HG LYS 39 -5.382 -6.874 6.198 289 1HD LYS 39 2HD LYS 39 -6.782 -8.760 5.639 290 2HD LYS 39 1HD LYS 39 -5.406 -9.651 4.988 291 1HE LYS 39 2HE LYS 39 -5.913 -10.462 7.239 292 2HE LYS 39 1HE LYS 39 -4.359 -9.629 7.247 293 1HZ LYS 39 1HZ LYS 39 -6.814 -8.120 7.829 294 2HZ LYS 39 2HZ LYS 39 -5.221 -7.829 8.347 295 3HZ LYS 39 3HZ LYS 39 -6.128 -9.086 9.043 296 HA PRO 40 HA PRO 40 -3.414 -2.211 4.423 297 1HB PRO 40 2HB PRO 40 -3.853 -1.508 7.116 298 2HB PRO 40 1HB PRO 40 -4.559 -0.735 5.716 299 1HG PRO 40 2HG PRO 40 -5.825 -2.458 7.661 300 2HG PRO 40 1HG PRO 40 -6.585 -1.577 6.339 301 1HD PRO 40 2HD PRO 40 -6.102 -4.403 6.516 302 2HD PRO 40 1HD PRO 40 -6.797 -3.519 5.148 303 H PHE 41 H PHE 41 -1.321 -2.072 4.928 304 HA PHE 41 HA PHE 41 -0.198 -4.110 6.798 305 1HB PHE 41 2HB PHE 41 1.542 -2.279 5.188 306 2HB PHE 41 1HB PHE 41 1.811 -3.956 5.648 307 HD1 PHE 41 1HD PHE 41 -0.124 -1.737 3.390 308 HD2 PHE 41 2HD PHE 41 1.081 -5.756 4.281 309 HE1 PHE 41 1HE PHE 41 -0.990 -2.485 1.187 310 HE2 PHE 41 2HE PHE 41 0.212 -6.505 2.092 311 HZ PHE 41 HZ PHE 41 -0.822 -4.876 0.538 312 H LEU 42 H LEU 42 -1.423 -2.302 8.308 313 HA LEU 42 HA LEU 42 -0.421 0.166 8.970 314 1HB LEU 42 2HB LEU 42 -1.325 -2.137 10.668 315 2HB LEU 42 1HB LEU 42 -0.625 -0.731 11.467 316 HG LEU 42 HG LEU 42 -2.265 0.734 10.337 317 1HD1 LEU 42 1HD1 LEU 42 -4.150 -0.441 9.115 318 2HD1 LEU 42 2HD1 LEU 42 -3.123 -1.878 9.111 319 3HD1 LEU 42 3HD1 LEU 42 -2.590 -0.408 8.289 320 1HD2 LEU 42 1HD2 LEU 42 -4.391 -0.361 11.336 321 2HD2 LEU 42 2HD2 LEU 42 -3.065 -0.008 12.446 322 3HD2 LEU 42 3HD2 LEU 42 -3.313 -1.654 11.863 323 H GLY 43 H GLY 43 0.965 -2.878 10.190 324 1HA GLY 43 2HA GLY 43 3.647 -1.560 10.224 325 2HA GLY 43 1HA GLY 43 3.088 -2.466 11.629 326 H HIS 44 H HIS 44 2.310 -3.435 8.359 327 HA HIS 44 HA HIS 44 4.095 -5.821 8.720 328 1HB HIS 44 2HB HIS 44 1.732 -5.900 6.879 329 2HB HIS 44 1HB HIS 44 2.454 -7.195 7.833 330 HD1 HIS 44 1HD HIS 44 -0.635 -5.942 7.779 331 HD2 HIS 44 2HD HIS 44 2.215 -5.738 10.813 332 HE1 HIS 44 1HE HIS 44 -1.908 -5.539 9.931 333 H ARG 45 H ARG 45 4.404 -6.877 6.387 334 HA ARG 45 HA ARG 45 5.612 -4.739 4.712 335 1HB ARG 45 2HB ARG 45 7.174 -6.466 5.131 336 2HB ARG 45 1HB ARG 45 5.967 -7.732 4.912 337 1HG ARG 45 2HG ARG 45 5.914 -7.407 2.544 338 2HG ARG 45 1HG ARG 45 6.816 -5.895 2.661 339 1HD ARG 45 2HD ARG 45 8.002 -8.228 2.026 340 2HD ARG 45 1HD ARG 45 8.839 -6.966 2.932 341 HE ARG 45 HE ARG 45 7.605 -8.475 4.898 342 1HH1 ARG 45 1HH2 ARG 45 9.679 -9.083 2.212 343 2HH1 ARG 45 2HH2 ARG 45 10.453 -10.446 2.948 344 1HH2 ARG 45 1HH1 ARG 45 8.603 -10.253 5.875 345 2HH2 ARG 45 2HH1 ARG 45 9.844 -11.109 5.021 346 H HIS 46 H HIS 46 5.068 -4.516 2.489 347 HA HIS 46 HA HIS 46 2.584 -5.973 1.652 348 1HB HIS 46 2HB HIS 46 2.135 -3.995 0.191 349 2HB HIS 46 1HB HIS 46 2.083 -3.616 1.906 350 HD1 HIS 46 1HD HIS 46 4.151 -2.292 2.893 351 HD2 HIS 46 2HD HIS 46 4.213 -2.756 -1.255 352 HE1 HIS 46 1HE HIS 46 5.914 -0.697 2.019 353 H TYR 47 H TYR 47 2.371 -6.049 -0.749 354 HA TYR 47 HA TYR 47 5.001 -6.322 -2.132 355 1HB TYR 47 2HB TYR 47 2.734 -8.296 -2.422 356 2HB TYR 47 1HB TYR 47 4.402 -8.485 -2.924 357 HD1 TYR 47 1HD TYR 47 5.900 -9.603 -1.506 358 HD2 TYR 47 2HD TYR 47 2.357 -7.834 0.156 359 HE1 TYR 47 1HE TYR 47 6.472 -10.514 0.731 360 HE2 TYR 47 2HE TYR 47 2.946 -8.735 2.381 361 HH TYR 47 HH TYR 47 4.377 -9.956 3.547 362 H GLU 48 H GLU 48 4.929 -5.390 -4.170 363 HA GLU 48 HA GLU 48 2.243 -4.436 -5.070 364 1HB GLU 48 2HB GLU 48 3.764 -2.799 -6.427 365 2HB GLU 48 1HB GLU 48 3.494 -2.515 -4.712 366 1HG GLU 48 2HG GLU 48 5.900 -2.351 -5.387 367 2HG GLU 48 1HG GLU 48 5.592 -3.561 -4.140 368 H ARG 49 H ARG 49 1.758 -4.380 -7.291 369 HA ARG 49 HA ARG 49 3.455 -6.016 -9.091 370 1HB ARG 49 2HB ARG 49 1.895 -7.600 -8.039 371 2HB ARG 49 1HB ARG 49 0.538 -6.601 -8.535 372 1HG ARG 49 2HG ARG 49 2.057 -7.032 -10.888 373 2HG ARG 49 1HG ARG 49 1.995 -8.592 -10.076 374 1HD ARG 49 2HD ARG 49 -0.240 -8.832 -10.457 375 2HD ARG 49 1HD ARG 49 -0.590 -7.136 -10.155 376 HE ARG 49 HE ARG 49 0.768 -7.136 -12.580 377 1HH1 ARG 49 1HH2 ARG 49 -1.994 -8.692 -11.227 378 2HH1 ARG 49 2HH2 ARG 49 -2.828 -8.821 -12.739 379 1HH2 ARG 49 1HH1 ARG 49 -0.303 -7.298 -14.564 380 2HH2 ARG 49 2HH1 ARG 49 -1.871 -8.032 -14.629 381 H LYS 50 H LYS 50 3.392 -5.267 -11.140 382 HA LYS 50 HA LYS 50 3.062 -3.682 -12.815 383 1HB LYS 50 2HB LYS 50 0.834 -3.782 -13.800 384 2HB LYS 50 1HB LYS 50 1.318 -5.394 -13.283 385 1HG LYS 50 2HG LYS 50 -0.080 -5.303 -11.354 386 2HG LYS 50 1HG LYS 50 -0.350 -3.571 -11.534 387 1HD LYS 50 2HD LYS 50 -1.140 -5.379 -13.791 388 2HD LYS 50 1HD LYS 50 -2.170 -5.320 -12.362 389 1HE LYS 50 2HE LYS 50 -2.318 -2.859 -12.576 390 2HE LYS 50 1HE LYS 50 -1.310 -2.929 -14.021 391 1HZ LYS 50 1HZ LYS 50 -2.978 -4.342 -15.062 392 2HZ LYS 50 2HZ LYS 50 -3.642 -2.848 -14.601 393 3HZ LYS 50 3HZ LYS 50 -3.952 -4.240 -13.678 394 H GLY 51 H GLY 51 2.875 -2.757 -9.951 395 1HA GLY 51 2HA GLY 51 2.812 -0.460 -9.271 396 2HA GLY 51 1HA GLY 51 1.802 -0.104 -10.663 397 H LEU 52 H LEU 52 1.157 -2.761 -8.509 398 HA LEU 52 HA LEU 52 -0.978 -1.221 -7.149 399 1HB LEU 52 2HB LEU 52 -1.376 -3.647 -8.877 400 2HB LEU 52 1HB LEU 52 -2.435 -3.381 -7.497 401 HG LEU 52 HG LEU 52 -1.950 -1.418 -9.756 402 1HD1 LEU 52 1HD1 LEU 52 -4.139 -2.004 -10.525 403 2HD1 LEU 52 2HD1 LEU 52 -4.476 -2.934 -9.063 404 3HD1 LEU 52 3HD1 LEU 52 -3.302 -3.531 -10.237 405 1HD2 LEU 52 1HD2 LEU 52 -3.262 -1.236 -7.092 406 2HD2 LEU 52 2HD2 LEU 52 -4.198 -0.584 -8.440 407 3HD2 LEU 52 3HD2 LEU 52 -2.583 0.041 -8.105 408 H ALA 53 H ALA 53 -1.199 -1.813 -5.044 409 HA ALA 53 HA ALA 53 0.851 -3.495 -3.931 410 1HB ALA 53 1HB ALA 53 -0.456 -3.173 -1.779 411 2HB ALA 53 2HB ALA 53 -1.619 -2.241 -2.731 412 3HB ALA 53 3HB ALA 53 0.050 -1.682 -2.581 413 H TYR 54 H TYR 54 0.653 -5.469 -2.851 414 HA TYR 54 HA TYR 54 -1.901 -6.905 -2.935 415 1HB TYR 54 2HB TYR 54 0.495 -7.696 -4.586 416 2HB TYR 54 1HB TYR 54 -0.676 -8.886 -4.037 417 HD1 TYR 54 1HD TYR 54 0.022 -6.240 -6.369 418 HD2 TYR 54 2HD TYR 54 -3.105 -8.609 -4.643 419 HE1 TYR 54 1HE TYR 54 -1.474 -5.585 -8.199 420 HE2 TYR 54 2HE TYR 54 -4.626 -7.931 -6.507 421 HH TYR 54 HH TYR 54 -4.841 -6.749 -8.360 422 H CYS 55 H CYS 55 -1.969 -8.412 -1.252 423 HA CYS 55 HA CYS 55 -0.064 -8.197 0.819 424 1HB CYS 55 2HB CYS 55 -2.050 -10.378 0.132 425 2HB CYS 55 1HB CYS 55 -1.021 -10.480 1.559 426 H GLU 56 H GLU 56 0.970 -10.544 1.573 427 HA GLU 56 HA GLU 56 3.150 -11.040 -0.255 428 1HB GLU 56 2HB GLU 56 3.236 -11.343 2.263 429 2HB GLU 56 1HB GLU 56 2.264 -12.791 2.052 430 1HG GLU 56 2HG GLU 56 3.962 -13.864 0.761 431 2HG GLU 56 1HG GLU 56 4.875 -12.366 0.589 432 H THR 57 H THR 57 0.209 -12.807 0.598 433 HA THR 57 HA THR 57 0.845 -15.011 -1.228 434 HB THR 57 HB THR 57 -1.544 -14.411 0.521 435 HG1 THR 57 1HG THR 57 0.812 -15.842 0.729 436 1HG2 THR 57 1HG2 THR 57 -2.431 -15.669 -1.287 437 2HG2 THR 57 2HG2 THR 57 -2.105 -16.853 -0.021 438 3HG2 THR 57 3HG2 THR 57 -0.996 -16.689 -1.383 439 H HIS 58 H HIS 58 -1.411 -12.268 -1.188 440 HA HIS 58 HA HIS 58 -2.808 -13.138 -3.537 441 1HB HIS 58 2HB HIS 58 -2.505 -10.382 -2.337 442 2HB HIS 58 1HB HIS 58 -3.637 -10.804 -3.618 443 HD2 HIS 58 2HD HIS 58 -4.695 -13.682 -2.348 444 HE1 HIS 58 1HE HIS 58 -5.850 -11.378 0.994 445 HE2 HIS 58 2HE HIS 58 -6.153 -13.602 -0.190 446 H TYR 59 H TYR 59 -0.137 -10.858 -2.987 447 HA TYR 59 HA TYR 59 0.293 -10.056 -5.635 448 1HB TYR 59 2HB TYR 59 1.630 -9.138 -3.831 449 2HB TYR 59 1HB TYR 59 2.249 -10.723 -3.412 450 HD1 TYR 59 1HD TYR 59 1.765 -9.382 -6.841 451 HD2 TYR 59 2HD TYR 59 4.587 -10.422 -3.780 452 HE1 TYR 59 1HE TYR 59 3.597 -9.106 -8.438 453 HE2 TYR 59 2HE TYR 59 6.440 -10.119 -5.393 454 HH TYR 59 HH TYR 59 5.898 -9.817 -8.767 455 H ASN 60 H ASN 60 1.749 -12.704 -3.842 456 HA ASN 60 HA ASN 60 3.008 -13.900 -6.064 457 1HB ASN 60 2HB ASN 60 2.110 -15.073 -3.426 458 2HB ASN 60 1HB ASN 60 3.069 -15.965 -4.604 459 1HD2 ASN 60 1HD2 ASN 60 3.830 -14.975 -1.832 460 2HD2 ASN 60 2HD2 ASN 60 5.224 -14.039 -2.073 461 H GLN 61 H GLN 61 -0.135 -14.601 -4.523 462 HA GLN 61 HA GLN 61 -0.858 -16.770 -6.226 463 1HB GLN 61 2HB GLN 61 -2.493 -14.638 -4.859 464 2HB GLN 61 1HB GLN 61 -3.263 -15.823 -5.906 465 1HG GLN 61 2HG GLN 61 -1.411 -16.660 -3.676 466 2HG GLN 61 1HG GLN 61 -3.131 -16.393 -3.395 467 1HE2 GLN 61 1HE2 GLN 61 -4.609 -17.635 -5.039 468 2HE2 GLN 61 2HE2 GLN 61 -4.117 -19.206 -5.454 469 H LEU 62 H LEU 62 -0.979 -13.309 -6.613 470 HA LEU 62 HA LEU 62 -2.221 -13.334 -9.229 471 1HB LEU 62 2HB LEU 62 -0.893 -11.328 -7.464 472 2HB LEU 62 1HB LEU 62 -0.951 -10.953 -9.179 473 HG LEU 62 HG LEU 62 -3.494 -11.631 -8.933 474 1HD1 LEU 62 1HD1 LEU 62 -3.238 -12.379 -6.570 475 2HD1 LEU 62 2HD1 LEU 62 -4.415 -11.079 -6.746 476 3HD1 LEU 62 3HD1 LEU 62 -2.803 -10.726 -6.129 477 1HD2 LEU 62 1HD2 LEU 62 -2.255 -9.057 -7.957 478 2HD2 LEU 62 2HD2 LEU 62 -3.979 -9.247 -8.289 479 3HD2 LEU 62 3HD2 LEU 62 -2.804 -9.421 -9.593 480 H PHE 63 H PHE 63 1.113 -13.224 -8.048 481 HA PHE 63 HA PHE 63 2.051 -14.221 -10.660 482 1HB PHE 63 2HB PHE 63 2.579 -11.462 -9.628 483 2HB PHE 63 1HB PHE 63 3.886 -12.294 -10.468 484 HD1 PHE 63 1HD PHE 63 0.446 -11.008 -10.760 485 HD2 PHE 63 2HD PHE 63 3.767 -12.750 -12.842 486 HE1 PHE 63 1HE PHE 63 -0.638 -10.476 -12.931 487 HE2 PHE 63 2HE PHE 63 2.691 -12.216 -15.013 488 HZ PHE 63 HZ PHE 63 0.487 -11.078 -15.057 489 H GLY 64 H GLY 64 3.916 -12.491 -8.249 490 1HA GLY 64 2HA GLY 64 5.429 -13.285 -6.614 491 2HA GLY 64 1HA GLY 64 4.822 -14.918 -6.897 492 H ASP 65 H ASP 65 5.365 -14.033 -9.896 493 HA ASP 65 HA ASP 65 8.107 -13.763 -10.356 494 1HB ASP 65 2HB ASP 65 8.524 -16.331 -10.877 495 2HB ASP 65 1HB ASP 65 8.781 -15.701 -9.251 496 H VAL 66 H VAL 66 5.056 -15.129 -11.265 497 HA VAL 66 HA VAL 66 5.285 -14.187 -13.970 498 HB VAL 66 HB VAL 66 6.772 -16.099 -14.259 499 1HG1 VAL 66 1HG1 VAL 66 4.471 -17.807 -13.269 500 2HG1 VAL 66 2HG1 VAL 66 5.862 -17.364 -12.280 501 3HG1 VAL 66 3HG1 VAL 66 6.084 -18.358 -13.720 502 1HG2 VAL 66 1HG2 VAL 66 4.062 -16.876 -15.363 503 2HG2 VAL 66 2HG2 VAL 66 5.644 -17.164 -16.086 504 3HG2 VAL 66 3HG2 VAL 66 4.997 -15.525 -16.005 Start of MODEL 6 1 1H GLY 1 1HT GLY 1 6.728 24.713 11.699 2 2H GLY 1 2HT GLY 1 7.339 26.290 11.526 3 3H GLY 1 3HT GLY 1 8.123 25.177 12.544 4 1HA GLY 1 2HA GLY 1 8.938 25.691 10.079 5 2HA GLY 1 1HA GLY 1 9.170 24.129 10.866 6 H SER 2 H SER 2 7.551 25.796 8.320 7 HA SER 2 HA SER 2 5.447 23.931 7.784 8 1HB SER 2 2HB SER 2 5.180 25.059 5.742 9 2HB SER 2 1HB SER 2 5.910 26.292 6.766 10 HG SER 2 HG SER 2 7.586 26.271 5.508 11 H MET 3 H MET 3 5.416 22.350 5.974 12 HA MET 3 HA MET 3 7.936 21.396 4.875 13 1HB MET 3 2HB MET 3 7.810 20.541 7.325 14 2HB MET 3 1HB MET 3 6.545 19.464 6.731 15 1HG MET 3 2HG MET 3 8.081 18.539 5.060 16 2HG MET 3 1HG MET 3 9.343 19.657 5.575 17 1HE MET 3 1HE MET 3 9.771 16.448 5.468 18 2HE MET 3 2HE MET 3 10.824 16.409 6.880 19 3HE MET 3 3HE MET 3 10.911 17.768 5.764 20 H GLY 4 H GLY 4 5.449 22.214 3.760 21 1HA GLY 4 2HA GLY 4 3.758 21.484 2.295 22 2HA GLY 4 1HA GLY 4 4.950 20.273 1.820 23 H VAL 5 H VAL 5 2.788 19.046 1.556 24 HA VAL 5 HA VAL 5 2.462 17.337 3.926 25 HB VAL 5 HB VAL 5 0.364 19.240 2.962 26 1HG1 VAL 5 1HG1 VAL 5 -0.845 17.302 2.431 27 2HG1 VAL 5 2HG1 VAL 5 -1.299 17.600 4.112 28 3HG1 VAL 5 3HG1 VAL 5 -0.106 16.368 3.733 29 1HG2 VAL 5 1HG2 VAL 5 -0.282 19.037 5.407 30 2HG2 VAL 5 2HG2 VAL 5 1.332 19.696 5.114 31 3HG2 VAL 5 3HG2 VAL 5 1.143 18.015 5.620 32 HA PRO 6 HA PRO 6 2.021 14.580 0.458 33 1HB PRO 6 2HB PRO 6 1.563 12.350 2.145 34 2HB PRO 6 1HB PRO 6 3.122 12.860 1.491 35 1HG PRO 6 2HG PRO 6 2.229 13.009 4.237 36 2HG PRO 6 1HG PRO 6 3.802 13.449 3.568 37 1HD PRO 6 2HD PRO 6 1.657 15.201 4.434 38 2HD PRO 6 1HD PRO 6 3.285 15.624 3.898 39 H ILE 7 H ILE 7 0.333 13.105 -0.311 40 HA ILE 7 HA ILE 7 -2.253 13.450 1.110 41 HB ILE 7 HB ILE 7 -1.611 14.202 -1.736 42 1HG1 ILE 7 2HG1 ILE 7 -3.236 15.478 0.468 43 2HG1 ILE 7 1HG1 ILE 7 -1.545 15.838 0.176 44 1HG2 ILE 7 1HG2 ILE 7 -3.489 12.807 -2.071 45 2HG2 ILE 7 2HG2 ILE 7 -4.199 14.408 -1.869 46 3HG2 ILE 7 3HG2 ILE 7 -4.210 13.261 -0.528 47 1HD1 ILE 7 1HD1 ILE 7 -2.016 16.882 -1.883 48 2HD1 ILE 7 2HD1 ILE 7 -3.333 17.412 -0.832 49 3HD1 ILE 7 3HD1 ILE 7 -3.604 16.121 -2.007 50 H CYS 8 H CYS 8 -3.067 11.546 1.463 51 HA CYS 8 HA CYS 8 -2.015 9.137 0.490 52 1HB CYS 8 2HB CYS 8 -3.285 9.128 2.516 53 2HB CYS 8 1HB CYS 8 -4.701 9.776 1.700 54 H GLY 9 H GLY 9 -2.087 8.323 -1.477 55 1HA GLY 9 2HA GLY 9 -3.715 9.352 -3.578 56 2HA GLY 9 1HA GLY 9 -2.806 7.844 -3.656 57 H ALA 10 H ALA 10 -4.626 7.555 -0.959 58 HA ALA 10 HA ALA 10 -6.565 5.830 -2.337 59 1HB ALA 10 1HB ALA 10 -6.926 4.836 -0.269 60 2HB ALA 10 2HB ALA 10 -6.653 6.337 0.615 61 3HB ALA 10 3HB ALA 10 -5.286 5.442 -0.044 62 H CYS 11 H CYS 11 -6.853 8.379 0.138 63 HA CYS 11 HA CYS 11 -9.605 8.945 -0.855 64 1HB CYS 11 2HB CYS 11 -9.427 10.534 1.280 65 2HB CYS 11 1HB CYS 11 -9.754 8.814 1.463 66 H ARG 12 H ARG 12 -6.442 10.044 -1.258 67 HA ARG 12 HA ARG 12 -5.577 11.978 -2.249 68 1HB ARG 12 2HB ARG 12 -8.440 12.797 -2.815 69 2HB ARG 12 1HB ARG 12 -6.988 13.261 -3.696 70 1HG ARG 12 2HG ARG 12 -7.930 10.389 -3.509 71 2HG ARG 12 1HG ARG 12 -8.424 11.472 -4.809 72 1HD ARG 12 2HD ARG 12 -5.588 10.653 -4.119 73 2HD ARG 12 1HD ARG 12 -6.499 10.196 -5.557 74 HE ARG 12 HE ARG 12 -6.494 12.964 -5.638 75 1HH1 ARG 12 1HH2 ARG 12 -4.138 10.467 -5.322 76 2HH1 ARG 12 2HH2 ARG 12 -2.888 11.363 -6.120 77 1HH2 ARG 12 1HH1 ARG 12 -4.876 14.147 -6.681 78 2HH2 ARG 12 2HH1 ARG 12 -3.306 13.447 -6.890 79 H ARG 13 H ARG 13 -6.141 11.830 0.520 80 HA ARG 13 HA ARG 13 -6.975 14.623 1.180 81 1HB ARG 13 2HB ARG 13 -7.444 12.003 2.443 82 2HB ARG 13 1HB ARG 13 -6.883 13.227 3.577 83 1HG ARG 13 2HG ARG 13 -9.395 13.099 3.319 84 2HG ARG 13 1HG ARG 13 -8.707 14.690 3.020 85 1HD ARG 13 2HD ARG 13 -8.849 12.988 0.621 86 2HD ARG 13 1HD ARG 13 -10.420 13.391 1.308 87 HE ARG 13 HE ARG 13 -9.075 15.815 1.251 88 1HH1 ARG 13 1HH2 ARG 13 -9.815 13.301 -0.989 89 2HH1 ARG 13 2HH2 ARG 13 -9.892 14.361 -2.357 90 1HH2 ARG 13 1HH1 ARG 13 -9.171 17.213 -0.522 91 2HH2 ARG 13 2HH1 ARG 13 -9.527 16.576 -2.093 92 HA PRO 14 HA PRO 14 -2.770 15.469 2.195 93 1HB PRO 14 2HB PRO 14 -3.489 17.047 4.511 94 2HB PRO 14 1HB PRO 14 -2.931 17.607 2.931 95 1HG PRO 14 2HG PRO 14 -5.575 17.800 3.982 96 2HG PRO 14 1HG PRO 14 -5.006 18.272 2.372 97 1HD PRO 14 2HD PRO 14 -6.680 16.012 3.059 98 2HD PRO 14 1HD PRO 14 -6.115 16.514 1.450 99 H ILE 15 H ILE 15 -1.634 13.790 3.057 100 HA ILE 15 HA ILE 15 -2.549 12.355 5.410 101 HB ILE 15 HB ILE 15 0.139 12.312 3.994 102 1HG1 ILE 15 2HG1 ILE 15 -1.877 10.106 3.911 103 2HG1 ILE 15 1HG1 ILE 15 -2.174 11.535 2.926 104 1HG2 ILE 15 1HG2 ILE 15 -1.003 10.746 6.293 105 2HG2 ILE 15 2HG2 ILE 15 0.620 11.404 6.103 106 3HG2 ILE 15 3HG2 ILE 15 0.132 9.974 5.188 107 1HD1 ILE 15 1HD1 ILE 15 -0.731 9.484 2.002 108 2HD1 ILE 15 2HD1 ILE 15 0.565 10.344 2.837 109 3HD1 ILE 15 3HD1 ILE 15 -0.349 11.149 1.566 110 H GLU 16 H GLU 16 -1.321 12.256 7.492 111 HA GLU 16 HA GLU 16 0.527 14.465 8.055 112 1HB GLU 16 2HB GLU 16 -1.078 15.302 9.931 113 2HB GLU 16 1HB GLU 16 -1.365 15.832 8.273 114 1HG GLU 16 2HG GLU 16 -3.147 14.302 7.969 115 2HG GLU 16 1HG GLU 16 -2.688 13.358 9.386 116 H GLY 17 H GLY 17 1.324 12.045 8.416 117 1HA GLY 17 2HA GLY 17 1.823 11.759 11.221 118 2HA GLY 17 1HA GLY 17 0.630 10.561 10.712 119 H ARG 18 H ARG 18 1.315 8.809 9.595 120 HA ARG 18 HA ARG 18 4.200 8.725 8.800 121 1HB ARG 18 2HB ARG 18 2.346 6.557 9.810 122 2HB ARG 18 1HB ARG 18 3.864 6.200 8.981 123 1HG ARG 18 2HG ARG 18 5.012 7.702 10.677 124 2HG ARG 18 1HG ARG 18 3.494 7.710 11.572 125 1HD ARG 18 2HD ARG 18 4.865 5.149 10.745 126 2HD ARG 18 1HD ARG 18 5.207 5.947 12.279 127 HE ARG 18 HE ARG 18 2.446 5.731 12.251 128 1HH1 ARG 18 1HH2 ARG 18 5.127 3.606 11.819 129 2HH1 ARG 18 2HH2 ARG 18 4.305 2.223 12.461 130 1HH2 ARG 18 1HH1 ARG 18 1.357 3.937 13.091 131 2HH2 ARG 18 2HH1 ARG 18 2.170 2.410 13.181 132 H VAL 19 H VAL 19 4.441 8.730 6.655 133 HA VAL 19 HA VAL 19 2.078 8.134 4.955 134 HB VAL 19 HB VAL 19 4.734 9.388 4.216 135 1HG1 VAL 19 1HG1 VAL 19 2.234 8.726 2.737 136 2HG1 VAL 19 2HG1 VAL 19 3.890 8.854 2.144 137 3HG1 VAL 19 3HG1 VAL 19 2.934 10.312 2.420 138 1HG2 VAL 19 1HG2 VAL 19 3.096 10.552 5.941 139 2HG2 VAL 19 2HG2 VAL 19 2.158 10.900 4.489 140 3HG2 VAL 19 3HG2 VAL 19 3.814 11.486 4.630 141 H VAL 20 H VAL 20 2.355 6.914 2.979 142 HA VAL 20 HA VAL 20 4.580 4.918 3.092 143 HB VAL 20 HB VAL 20 1.634 4.519 2.598 144 1HG1 VAL 20 1HG1 VAL 20 2.504 2.141 1.837 145 2HG1 VAL 20 2HG1 VAL 20 3.957 3.038 1.390 146 3HG1 VAL 20 3HG1 VAL 20 2.404 3.453 0.664 147 1HG2 VAL 20 1HG2 VAL 20 1.892 2.753 4.190 148 2HG2 VAL 20 2HG2 VAL 20 2.804 4.117 4.832 149 3HG2 VAL 20 3HG2 VAL 20 3.649 2.787 4.045 150 H ASN 21 H ASN 21 5.855 5.306 1.347 151 HA ASN 21 HA ASN 21 4.705 6.737 -0.959 152 1HB ASN 21 2HB ASN 21 7.525 5.875 -0.312 153 2HB ASN 21 1HB ASN 21 7.075 6.777 -1.757 154 1HD2 ASN 21 1HD2 ASN 21 4.973 7.799 0.615 155 2HD2 ASN 21 2HD2 ASN 21 5.832 9.148 1.185 156 H ALA 22 H ALA 22 3.588 5.417 -2.301 157 HA ALA 22 HA ALA 22 5.041 3.113 -3.485 158 1HB ALA 22 1HB ALA 22 2.207 2.914 -2.426 159 2HB ALA 22 2HB ALA 22 3.618 2.227 -1.619 160 3HB ALA 22 3HB ALA 22 3.127 1.628 -3.204 161 H MET 23 H MET 23 4.018 2.453 -5.559 162 HA MET 23 HA MET 23 3.101 3.021 -7.642 163 1HB MET 23 2HB MET 23 1.150 4.749 -6.115 164 2HB MET 23 1HB MET 23 0.887 3.901 -7.637 165 1HG MET 23 2HG MET 23 1.491 2.392 -5.090 166 2HG MET 23 1HG MET 23 -0.150 2.868 -5.508 167 1HE MET 23 1HE MET 23 2.146 0.223 -5.398 168 2HE MET 23 2HE MET 23 1.344 -0.995 -6.388 169 3HE MET 23 3HE MET 23 0.448 -0.183 -5.104 170 H GLY 24 H GLY 24 4.938 4.817 -5.984 171 1HA GLY 24 2HA GLY 24 6.145 6.790 -6.465 172 2HA GLY 24 1HA GLY 24 5.214 6.910 -7.959 173 H LYS 25 H LYS 25 3.577 6.521 -4.959 174 HA LYS 25 HA LYS 25 2.797 9.414 -4.928 175 1HB LYS 25 2HB LYS 25 1.009 6.984 -4.603 176 2HB LYS 25 1HB LYS 25 0.493 8.648 -4.362 177 1HG LYS 25 2HG LYS 25 1.753 8.610 -6.894 178 2HG LYS 25 1HG LYS 25 0.747 7.164 -6.842 179 1HD LYS 25 2HD LYS 25 -1.127 8.695 -5.967 180 2HD LYS 25 1HD LYS 25 -0.108 10.041 -6.479 181 1HE LYS 25 2HE LYS 25 0.015 8.719 -8.749 182 2HE LYS 25 1HE LYS 25 -1.451 7.938 -8.154 183 1HZ LYS 25 1HZ LYS 25 -1.975 9.887 -9.468 184 2HZ LYS 25 2HZ LYS 25 -1.036 10.865 -8.444 185 3HZ LYS 25 3HZ LYS 25 -2.445 10.121 -7.855 186 H GLN 26 H GLN 26 0.989 8.986 -2.770 187 HA GLN 26 HA GLN 26 2.723 8.080 -0.521 188 1HB GLN 26 2HB GLN 26 1.337 10.738 -0.929 189 2HB GLN 26 1HB GLN 26 1.704 10.153 0.687 190 1HG GLN 26 2HG GLN 26 3.977 10.440 0.428 191 2HG GLN 26 1HG GLN 26 3.938 9.994 -1.273 192 1HE2 GLN 26 1HE2 GLN 26 1.540 12.309 -0.846 193 2HE2 GLN 26 2HE2 GLN 26 2.432 13.690 -1.258 194 H TRP 27 H TRP 27 1.412 7.078 1.150 195 HA TRP 27 HA TRP 27 -1.541 7.152 0.692 196 1HB TRP 27 2HB TRP 27 0.087 4.619 1.015 197 2HB TRP 27 1HB TRP 27 -1.657 4.718 0.790 198 HD1 TRP 27 HD TRP 27 1.644 5.320 -1.070 199 HE1 TRP 27 1HE TRP 27 1.165 5.335 -3.605 200 HE3 TRP 27 3HE TRP 27 -3.430 5.038 -0.988 201 HZ2 TRP 27 2HZ TRP 27 -1.096 5.240 -5.364 202 HZ3 TRP 27 3HZ TRP 27 -4.733 5.001 -3.086 203 HH2 TRP 27 HH TRP 27 -3.575 5.101 -5.279 204 H HIS 28 H HIS 28 -2.756 6.988 2.607 205 HA HIS 28 HA HIS 28 -1.455 7.490 5.113 206 1HB HIS 28 2HB HIS 28 -4.193 6.410 4.406 207 2HB HIS 28 1HB HIS 28 -3.665 6.493 6.083 208 HD2 HIS 28 2HD HIS 28 -2.716 9.323 6.701 209 HE1 HIS 28 1HE HIS 28 -5.611 10.916 4.075 210 HE2 HIS 28 2HE HIS 28 -4.007 11.470 5.964 211 H VAL 29 H VAL 29 -0.451 6.030 6.488 212 HA VAL 29 HA VAL 29 0.287 3.452 5.664 213 HB VAL 29 HB VAL 29 0.054 4.763 8.368 214 1HG1 VAL 29 1HG1 VAL 29 0.756 1.896 7.730 215 2HG1 VAL 29 2HG1 VAL 29 -0.366 2.506 8.947 216 3HG1 VAL 29 3HG1 VAL 29 1.373 2.702 9.174 217 1HG2 VAL 29 1HG2 VAL 29 1.860 5.253 6.586 218 2HG2 VAL 29 2HG2 VAL 29 2.482 3.644 6.972 219 3HG2 VAL 29 3HG2 VAL 29 2.408 4.880 8.221 220 H GLU 30 H GLU 30 -2.706 4.616 6.748 221 HA GLU 30 HA GLU 30 -3.675 1.960 7.592 222 1HB GLU 30 2HB GLU 30 -4.361 3.776 9.009 223 2HB GLU 30 1HB GLU 30 -4.913 4.719 7.627 224 1HG GLU 30 2HG GLU 30 -6.771 3.610 8.901 225 2HG GLU 30 1HG GLU 30 -6.713 3.152 7.200 226 H HIS 31 H HIS 31 -3.921 4.187 4.876 227 HA HIS 31 HA HIS 31 -6.113 2.550 3.706 228 1HB HIS 31 2HB HIS 31 -4.854 5.149 2.778 229 2HB HIS 31 1HB HIS 31 -6.162 4.316 1.943 230 HD2 HIS 31 2HD HIS 31 -7.749 3.544 4.888 231 HE1 HIS 31 1HE HIS 31 -8.205 7.732 5.086 232 HE2 HIS 31 2HE HIS 31 -9.040 5.518 5.996 233 H PHE 32 H PHE 32 -2.744 2.545 3.658 234 HA PHE 32 HA PHE 32 -2.542 1.738 0.841 235 1HB PHE 32 2HB PHE 32 -0.623 2.829 2.177 236 2HB PHE 32 1HB PHE 32 -0.425 1.254 2.948 237 HD1 PHE 32 1HD PHE 32 1.155 -0.164 1.968 238 HD2 PHE 32 2HD PHE 32 -1.018 2.582 -0.524 239 HE1 PHE 32 1HE PHE 32 2.361 -1.004 -0.030 240 HE2 PHE 32 2HE PHE 32 0.185 1.736 -2.508 241 HZ PHE 32 HZ PHE 32 1.877 -0.059 -2.264 242 H VAL 33 H VAL 33 -3.577 -0.117 0.408 243 HA VAL 33 HA VAL 33 -3.059 -2.459 2.187 244 HB VAL 33 HB VAL 33 -5.379 -3.147 1.844 245 1HG1 VAL 33 1HG1 VAL 33 -5.708 -1.959 3.731 246 2HG1 VAL 33 2HG1 VAL 33 -6.292 -0.646 2.715 247 3HG1 VAL 33 3HG1 VAL 33 -4.603 -0.687 3.213 248 1HG2 VAL 33 1HG2 VAL 33 -6.939 -1.504 0.727 249 2HG2 VAL 33 2HG2 VAL 33 -5.774 -2.252 -0.367 250 3HG2 VAL 33 3HG2 VAL 33 -5.516 -0.602 0.206 251 H CYS 34 H CYS 34 -3.886 -4.481 1.051 252 HA CYS 34 HA CYS 34 -2.391 -4.902 -1.356 253 1HB CYS 34 2HB CYS 34 -2.727 -6.788 -0.016 254 2HB CYS 34 1HB CYS 34 -4.435 -6.458 0.207 255 H ALA 35 H ALA 35 -3.170 -5.193 -3.502 256 HA ALA 35 HA ALA 35 -5.649 -3.702 -4.086 257 1HB ALA 35 1HB ALA 35 -3.705 -4.944 -6.037 258 2HB ALA 35 2HB ALA 35 -3.447 -3.358 -5.312 259 3HB ALA 35 3HB ALA 35 -4.851 -3.643 -6.347 260 H LYS 36 H LYS 36 -5.627 -6.498 -2.910 261 HA LYS 36 HA LYS 36 -7.427 -7.728 -4.955 262 1HB LYS 36 2HB LYS 36 -5.278 -8.931 -5.043 263 2HB LYS 36 1HB LYS 36 -5.347 -9.209 -3.311 264 1HG LYS 36 2HG LYS 36 -6.101 -11.192 -4.572 265 2HG LYS 36 1HG LYS 36 -7.404 -10.525 -3.593 266 1HD LYS 36 2HD LYS 36 -8.539 -9.662 -5.447 267 2HD LYS 36 1HD LYS 36 -7.083 -9.614 -6.441 268 1HE LYS 36 2HE LYS 36 -8.713 -11.451 -7.052 269 2HE LYS 36 1HE LYS 36 -7.081 -12.010 -6.688 270 1HZ LYS 36 1HZ LYS 36 -8.617 -11.870 -4.319 271 2HZ LYS 36 2HZ LYS 36 -7.856 -13.217 -5.021 272 3HZ LYS 36 3HZ LYS 36 -9.439 -12.801 -5.475 273 H CYS 37 H CYS 37 -6.512 -7.390 -1.563 274 HA CYS 37 HA CYS 37 -9.243 -8.386 -0.815 275 1HB CYS 37 2HB CYS 37 -8.227 -9.342 1.223 276 2HB CYS 37 1HB CYS 37 -7.493 -10.022 -0.228 277 H GLU 38 H GLU 38 -6.951 -5.855 -0.630 278 HA GLU 38 HA GLU 38 -7.064 -3.794 0.416 279 1HB GLU 38 2HB GLU 38 -9.754 -4.540 1.555 280 2HB GLU 38 1HB GLU 38 -9.153 -2.946 1.106 281 1HG GLU 38 2HG GLU 38 -8.989 -3.972 -1.304 282 2HG GLU 38 1HG GLU 38 -10.131 -5.161 -0.677 283 H LYS 39 H LYS 39 -5.649 -5.742 1.696 284 HA LYS 39 HA LYS 39 -6.433 -5.558 4.561 285 1HB LYS 39 2HB LYS 39 -5.719 -7.771 3.382 286 2HB LYS 39 1HB LYS 39 -4.084 -7.125 3.504 287 1HG LYS 39 2HG LYS 39 -5.381 -6.768 6.044 288 2HG LYS 39 1HG LYS 39 -5.621 -8.434 5.535 289 1HD LYS 39 2HD LYS 39 -3.156 -8.588 5.081 290 2HD LYS 39 1HD LYS 39 -2.977 -6.975 5.774 291 1HE LYS 39 2HE LYS 39 -3.993 -9.461 7.175 292 2HE LYS 39 1HE LYS 39 -2.508 -8.576 7.521 293 1HZ LYS 39 1HZ LYS 39 -3.921 -6.628 8.051 294 2HZ LYS 39 2HZ LYS 39 -4.148 -7.940 9.106 295 3HZ LYS 39 3HZ LYS 39 -5.291 -7.615 7.892 296 HA PRO 40 HA PRO 40 -3.477 -2.144 4.316 297 1HB PRO 40 2HB PRO 40 -3.962 -1.449 7.000 298 2HB PRO 40 1HB PRO 40 -4.659 -0.680 5.593 299 1HG PRO 40 2HG PRO 40 -5.929 -2.425 7.520 300 2HG PRO 40 1HG PRO 40 -6.683 -1.539 6.199 301 1HD PRO 40 2HD PRO 40 -6.185 -4.362 6.357 302 2HD PRO 40 1HD PRO 40 -6.869 -3.472 4.986 303 H PHE 41 H PHE 41 -1.387 -2.048 4.835 304 HA PHE 41 HA PHE 41 -0.316 -4.088 6.729 305 1HB PHE 41 2HB PHE 41 1.476 -2.289 5.146 306 2HB PHE 41 1HB PHE 41 1.702 -3.975 5.598 307 HD1 PHE 41 1HD PHE 41 -0.144 -1.694 3.329 308 HD2 PHE 41 2HD PHE 41 0.929 -5.751 4.222 309 HE1 PHE 41 1HE PHE 41 -1.011 -2.411 1.115 310 HE2 PHE 41 2HE PHE 41 0.061 -6.467 2.024 311 HZ PHE 41 HZ PHE 41 -0.908 -4.806 0.463 312 H LEU 42 H LEU 42 -1.530 -2.278 8.227 313 HA LEU 42 HA LEU 42 -0.511 0.180 8.907 314 1HB LEU 42 2HB LEU 42 -1.448 -2.121 10.593 315 2HB LEU 42 1HB LEU 42 -0.758 -0.713 11.396 316 HG LEU 42 HG LEU 42 -2.383 0.750 10.243 317 1HD1 LEU 42 1HD1 LEU 42 -4.250 -0.424 8.995 318 2HD1 LEU 42 2HD1 LEU 42 -3.223 -1.861 9.004 319 3HD1 LEU 42 3HD1 LEU 42 -2.678 -0.390 8.191 320 1HD2 LEU 42 1HD2 LEU 42 -4.523 -0.344 11.211 321 2HD2 LEU 42 2HD2 LEU 42 -3.213 0.007 12.342 322 3HD2 LEU 42 3HD2 LEU 42 -3.454 -1.638 11.752 323 H GLY 43 H GLY 43 0.827 -2.882 10.136 324 1HA GLY 43 2HA GLY 43 3.523 -1.592 10.207 325 2HA GLY 43 1HA GLY 43 2.938 -2.504 11.599 326 H HIS 44 H HIS 44 2.172 -3.457 8.326 327 HA HIS 44 HA HIS 44 3.958 -5.844 8.671 328 1HB HIS 44 2HB HIS 44 1.589 -5.931 6.844 329 2HB HIS 44 1HB HIS 44 2.311 -7.220 7.806 330 HD1 HIS 44 1HD HIS 44 -0.777 -5.954 7.741 331 HD2 HIS 44 2HD HIS 44 2.069 -5.755 10.777 332 HE1 HIS 44 1HE HIS 44 -2.051 -5.538 9.890 333 H ARG 45 H ARG 45 4.361 -6.883 6.390 334 HA ARG 45 HA ARG 45 5.545 -4.750 4.718 335 1HB ARG 45 2HB ARG 45 6.185 -7.052 3.421 336 2HB ARG 45 1HB ARG 45 7.127 -6.418 4.768 337 1HG ARG 45 2HG ARG 45 5.948 -7.817 6.339 338 2HG ARG 45 1HG ARG 45 4.825 -8.359 5.095 339 1HD ARG 45 2HD ARG 45 7.150 -9.041 3.901 340 2HD ARG 45 1HD ARG 45 7.651 -9.179 5.585 341 HE ARG 45 HE ARG 45 6.200 -11.146 4.254 342 1HH1 ARG 45 1HH2 ARG 45 5.717 -9.127 7.019 343 2HH1 ARG 45 2HH2 ARG 45 4.580 -10.201 7.756 344 1HH2 ARG 45 1HH1 ARG 45 4.733 -12.548 5.217 345 2HH2 ARG 45 2HH1 ARG 45 4.029 -12.135 6.744 346 H HIS 46 H HIS 46 5.068 -4.530 2.481 347 HA HIS 46 HA HIS 46 2.503 -5.817 1.617 348 1HB HIS 46 2HB HIS 46 2.296 -3.750 0.113 349 2HB HIS 46 1HB HIS 46 1.986 -3.516 1.827 350 HD1 HIS 46 1HD HIS 46 3.862 -2.293 3.224 351 HD2 HIS 46 2HD HIS 46 4.594 -2.458 -0.879 352 HE1 HIS 46 1HE HIS 46 5.749 -0.666 2.767 353 H TYR 47 H TYR 47 2.345 -5.828 -0.827 354 HA TYR 47 HA TYR 47 5.011 -6.222 -2.106 355 1HB TYR 47 2HB TYR 47 2.721 -8.158 -2.418 356 2HB TYR 47 1HB TYR 47 4.410 -8.407 -2.817 357 HD1 TYR 47 1HD TYR 47 5.911 -9.305 -1.191 358 HD2 TYR 47 2HD TYR 47 2.126 -7.709 0.064 359 HE1 TYR 47 1HE TYR 47 6.339 -10.060 1.131 360 HE2 TYR 47 2HE TYR 47 2.568 -8.468 2.372 361 HH TYR 47 HH TYR 47 4.009 -9.437 3.738 362 H GLU 48 H GLU 48 5.072 -5.347 -4.145 363 HA GLU 48 HA GLU 48 2.520 -4.219 -5.201 364 1HB GLU 48 2HB GLU 48 5.410 -3.450 -5.437 365 2HB GLU 48 1HB GLU 48 4.257 -2.904 -6.656 366 1HG GLU 48 2HG GLU 48 2.849 -1.919 -4.892 367 2HG GLU 48 1HG GLU 48 3.996 -2.462 -3.668 368 H ARG 49 H ARG 49 1.962 -4.385 -7.376 369 HA ARG 49 HA ARG 49 3.569 -6.166 -9.115 370 1HB ARG 49 2HB ARG 49 1.967 -7.654 -7.925 371 2HB ARG 49 1HB ARG 49 0.638 -6.696 -8.567 372 1HG ARG 49 2HG ARG 49 1.951 -7.188 -10.878 373 2HG ARG 49 1HG ARG 49 2.437 -8.614 -9.972 374 1HD ARG 49 2HD ARG 49 0.354 -8.961 -11.298 375 2HD ARG 49 1HD ARG 49 0.128 -9.203 -9.567 376 HE ARG 49 HE ARG 49 -0.583 -6.585 -9.861 377 1HH1 ARG 49 1HH2 ARG 49 -1.340 -9.483 -11.568 378 2HH1 ARG 49 2HH2 ARG 49 -2.963 -9.002 -11.935 379 1HH2 ARG 49 1HH1 ARG 49 -2.702 -5.943 -10.326 380 2HH2 ARG 49 2HH1 ARG 49 -3.733 -6.998 -11.232 381 H LYS 50 H LYS 50 3.493 -5.512 -11.178 382 HA LYS 50 HA LYS 50 3.157 -4.006 -12.928 383 1HB LYS 50 2HB LYS 50 0.990 -4.229 -13.945 384 2HB LYS 50 1HB LYS 50 1.382 -5.781 -13.210 385 1HG LYS 50 2HG LYS 50 -0.113 -5.446 -11.415 386 2HG LYS 50 1HG LYS 50 -0.217 -3.711 -11.696 387 1HD LYS 50 2HD LYS 50 -1.076 -5.499 -13.929 388 2HD LYS 50 1HD LYS 50 -2.136 -5.398 -12.525 389 1HE LYS 50 2HE LYS 50 -2.470 -3.691 -14.473 390 2HE LYS 50 1HE LYS 50 -2.517 -3.104 -12.810 391 1HZ LYS 50 1HZ LYS 50 0.049 -2.863 -13.240 392 2HZ LYS 50 2HZ LYS 50 -1.043 -1.645 -13.702 393 3HZ LYS 50 3HZ LYS 50 -0.456 -2.746 -14.855 394 H GLY 51 H GLY 51 2.972 -2.955 -10.116 395 1HA GLY 51 2HA GLY 51 2.908 -0.633 -9.528 396 2HA GLY 51 1HA GLY 51 1.883 -0.339 -10.925 397 H LEU 52 H LEU 52 1.273 -2.916 -8.658 398 HA LEU 52 HA LEU 52 -0.870 -1.341 -7.348 399 1HB LEU 52 2HB LEU 52 -1.260 -3.817 -9.005 400 2HB LEU 52 1HB LEU 52 -2.329 -3.504 -7.643 401 HG LEU 52 HG LEU 52 -1.815 -1.605 -9.950 402 1HD1 LEU 52 1HD1 LEU 52 -3.990 -2.221 -10.741 403 2HD1 LEU 52 2HD1 LEU 52 -4.342 -3.123 -9.266 404 3HD1 LEU 52 3HD1 LEU 52 -3.144 -3.734 -10.408 405 1HD2 LEU 52 1HD2 LEU 52 -3.176 -1.362 -7.316 406 2HD2 LEU 52 2HD2 LEU 52 -4.093 -0.752 -8.697 407 3HD2 LEU 52 3HD2 LEU 52 -2.489 -0.108 -8.352 408 H ALA 53 H ALA 53 -1.181 -1.931 -5.234 409 HA ALA 53 HA ALA 53 0.877 -3.570 -4.044 410 1HB ALA 53 1HB ALA 53 -1.602 -2.259 -2.923 411 2HB ALA 53 2HB ALA 53 0.073 -1.728 -2.742 412 3HB ALA 53 3HB ALA 53 -0.483 -3.192 -1.923 413 H TYR 54 H TYR 54 0.620 -5.503 -2.871 414 HA TYR 54 HA TYR 54 -1.923 -6.942 -3.002 415 1HB TYR 54 2HB TYR 54 0.519 -7.768 -4.563 416 2HB TYR 54 1HB TYR 54 -0.673 -8.944 -4.028 417 HD1 TYR 54 1HD TYR 54 0.110 -6.341 -6.382 418 HD2 TYR 54 2HD TYR 54 -3.081 -8.667 -4.714 419 HE1 TYR 54 1HE TYR 54 -1.324 -5.704 -8.261 420 HE2 TYR 54 2HE TYR 54 -4.543 -8.005 -6.630 421 HH TYR 54 HH TYR 54 -4.673 -6.901 -8.539 422 H CYS 55 H CYS 55 -2.028 -8.398 -1.261 423 HA CYS 55 HA CYS 55 -0.143 -8.124 0.821 424 1HB CYS 55 2HB CYS 55 -2.074 -10.377 0.199 425 2HB CYS 55 1HB CYS 55 -1.100 -10.340 1.665 426 H GLU 56 H GLU 56 1.002 -10.293 1.676 427 HA GLU 56 HA GLU 56 3.147 -10.904 -0.124 428 1HB GLU 56 2HB GLU 56 3.145 -11.107 2.434 429 2HB GLU 56 1HB GLU 56 2.284 -12.622 2.214 430 1HG GLU 56 2HG GLU 56 4.886 -12.066 0.784 431 2HG GLU 56 1HG GLU 56 4.846 -12.763 2.403 432 H THR 57 H THR 57 0.191 -12.627 0.760 433 HA THR 57 HA THR 57 0.855 -14.919 -0.942 434 HB THR 57 HB THR 57 -1.574 -14.235 0.723 435 HG1 THR 57 1HG THR 57 -0.276 -15.013 2.166 436 1HG2 THR 57 1HG2 THR 57 -0.970 -16.608 -1.042 437 2HG2 THR 57 2HG2 THR 57 -2.411 -15.593 -1.036 438 3HG2 THR 57 3HG2 THR 57 -2.111 -16.705 0.299 439 H HIS 58 H HIS 58 -1.442 -12.199 -1.071 440 HA HIS 58 HA HIS 58 -2.747 -13.187 -3.421 441 1HB HIS 58 2HB HIS 58 -2.518 -10.385 -2.313 442 2HB HIS 58 1HB HIS 58 -3.576 -10.848 -3.642 443 HD2 HIS 58 2HD HIS 58 -4.709 -13.687 -2.361 444 HE1 HIS 58 1HE HIS 58 -6.037 -11.301 0.858 445 HE2 HIS 58 2HE HIS 58 -6.282 -13.552 -0.287 446 H TYR 59 H TYR 59 -0.129 -10.846 -2.888 447 HA TYR 59 HA TYR 59 0.388 -10.128 -5.532 448 1HB TYR 59 2HB TYR 59 1.659 -9.166 -3.708 449 2HB TYR 59 1HB TYR 59 2.272 -10.736 -3.234 450 HD1 TYR 59 1HD TYR 59 1.906 -9.451 -6.700 451 HD2 TYR 59 2HD TYR 59 4.619 -10.446 -3.527 452 HE1 TYR 59 1HE TYR 59 3.795 -9.189 -8.232 453 HE2 TYR 59 2HE TYR 59 6.529 -10.162 -5.077 454 HH TYR 59 HH TYR 59 6.632 -10.379 -7.912 455 H ASN 60 H ASN 60 1.824 -12.727 -3.648 456 HA ASN 60 HA ASN 60 3.107 -13.947 -5.852 457 1HB ASN 60 2HB ASN 60 2.345 -14.933 -3.111 458 2HB ASN 60 1HB ASN 60 3.097 -16.013 -4.283 459 1HD2 ASN 60 1HD2 ASN 60 3.756 -13.628 -1.911 460 2HD2 ASN 60 2HD2 ASN 60 5.391 -13.372 -2.289 461 H GLN 61 H GLN 61 -0.034 -14.629 -4.299 462 HA GLN 61 HA GLN 61 -0.696 -16.881 -5.934 463 1HB GLN 61 2HB GLN 61 -2.388 -14.759 -4.619 464 2HB GLN 61 1HB GLN 61 -3.122 -16.005 -5.620 465 1HG GLN 61 2HG GLN 61 -1.242 -16.679 -3.357 466 2HG GLN 61 1HG GLN 61 -2.978 -16.501 -3.106 467 1HE2 GLN 61 1HE2 GLN 61 -4.408 -18.080 -4.155 468 2HE2 GLN 61 2HE2 GLN 61 -3.801 -19.547 -4.753 469 H LEU 62 H LEU 62 -0.859 -13.441 -6.414 470 HA LEU 62 HA LEU 62 -2.149 -13.550 -9.006 471 1HB LEU 62 2HB LEU 62 -0.820 -11.478 -7.315 472 2HB LEU 62 1HB LEU 62 -0.937 -11.149 -9.035 473 HG LEU 62 HG LEU 62 -3.469 -11.934 -8.624 474 1HD1 LEU 62 1HD1 LEU 62 -2.586 -10.760 -5.977 475 2HD1 LEU 62 2HD1 LEU 62 -3.188 -12.402 -6.238 476 3HD1 LEU 62 3HD1 LEU 62 -4.260 -11.021 -6.460 477 1HD2 LEU 62 1HD2 LEU 62 -2.251 -9.230 -8.065 478 2HD2 LEU 62 2HD2 LEU 62 -3.990 -9.497 -8.229 479 3HD2 LEU 62 3HD2 LEU 62 -2.917 -9.814 -9.589 480 H PHE 63 H PHE 63 1.189 -13.426 -7.868 481 HA PHE 63 HA PHE 63 2.106 -14.392 -10.501 482 1HB PHE 63 2HB PHE 63 2.631 -11.647 -9.438 483 2HB PHE 63 1HB PHE 63 3.954 -12.467 -10.263 484 HD1 PHE 63 1HD PHE 63 0.505 -11.207 -10.606 485 HD2 PHE 63 2HD PHE 63 3.892 -12.870 -12.642 486 HE1 PHE 63 1HE PHE 63 -0.535 -10.639 -12.788 487 HE2 PHE 63 2HE PHE 63 2.860 -12.306 -14.827 488 HZ PHE 63 HZ PHE 63 0.646 -11.190 -14.900 489 H GLY 64 H GLY 64 3.945 -12.702 -8.040 490 1HA GLY 64 2HA GLY 64 5.548 -13.468 -6.499 491 2HA GLY 64 1HA GLY 64 4.833 -15.073 -6.641 492 H ASP 65 H ASP 65 5.283 -14.492 -9.710 493 HA ASP 65 HA ASP 65 7.895 -14.326 -10.496 494 1HB ASP 65 2HB ASP 65 8.857 -15.892 -9.061 495 2HB ASP 65 1HB ASP 65 7.419 -16.912 -9.048 496 H VAL 66 H VAL 66 4.848 -15.869 -10.728 497 HA VAL 66 HA VAL 66 5.312 -17.089 -13.342 498 HB VAL 66 HB VAL 66 2.707 -16.484 -11.911 499 1HG1 VAL 66 1HG1 VAL 66 3.449 -18.166 -14.308 500 2HG1 VAL 66 2HG1 VAL 66 2.220 -16.905 -14.198 501 3HG1 VAL 66 3HG1 VAL 66 1.971 -18.453 -13.390 502 1HG2 VAL 66 1HG2 VAL 66 2.828 -18.857 -11.211 503 2HG2 VAL 66 2HG2 VAL 66 4.194 -17.935 -10.580 504 3HG2 VAL 66 3HG2 VAL 66 4.413 -18.995 -11.972 Start of MODEL 7 1 1H GLY 1 1HT GLY 1 -0.283 25.730 -4.625 2 2H GLY 1 2HT GLY 1 -0.399 26.291 -3.025 3 3H GLY 1 3HT GLY 1 -0.426 24.623 -3.348 4 1HA GLY 1 2HA GLY 1 1.906 25.528 -4.496 5 2HA GLY 1 1HA GLY 1 1.801 26.332 -2.929 6 H SER 2 H SER 2 0.005 23.800 -2.270 7 HA SER 2 HA SER 2 0.390 21.821 -1.070 8 1HB SER 2 2HB SER 2 1.170 21.204 -3.434 9 2HB SER 2 1HB SER 2 2.810 21.483 -2.854 10 HG SER 2 HG SER 2 2.157 19.985 -1.092 11 H MET 3 H MET 3 1.017 22.420 0.986 12 HA MET 3 HA MET 3 3.605 23.619 1.538 13 1HB MET 3 2HB MET 3 1.413 22.488 3.288 14 2HB MET 3 1HB MET 3 2.920 23.115 3.957 15 1HG MET 3 2HG MET 3 2.509 25.287 2.864 16 2HG MET 3 1HG MET 3 1.006 24.663 2.184 17 1HE MET 3 1HE MET 3 3.142 25.206 5.104 18 2HE MET 3 2HE MET 3 2.334 23.970 6.064 19 3HE MET 3 3HE MET 3 2.108 25.671 6.461 20 H GLY 4 H GLY 4 3.639 20.999 0.161 21 1HA GLY 4 2HA GLY 4 5.231 19.237 0.241 22 2HA GLY 4 1HA GLY 4 5.627 19.711 1.893 23 H VAL 5 H VAL 5 2.708 19.705 2.591 24 HA VAL 5 HA VAL 5 2.447 17.257 3.851 25 HB VAL 5 HB VAL 5 0.455 19.215 2.776 26 1HG1 VAL 5 1HG1 VAL 5 -0.812 17.305 2.277 27 2HG1 VAL 5 2HG1 VAL 5 -1.291 17.671 3.938 28 3HG1 VAL 5 3HG1 VAL 5 -0.134 16.386 3.624 29 1HG2 VAL 5 1HG2 VAL 5 1.126 18.049 5.488 30 2HG2 VAL 5 2HG2 VAL 5 -0.254 19.115 5.209 31 3HG2 VAL 5 3HG2 VAL 5 1.389 19.705 4.935 32 HA PRO 6 HA PRO 6 1.999 14.477 0.401 33 1HB PRO 6 2HB PRO 6 1.534 12.266 2.106 34 2HB PRO 6 1HB PRO 6 3.098 12.768 1.460 35 1HG PRO 6 2HG PRO 6 2.183 12.941 4.198 36 2HG PRO 6 1HG PRO 6 3.764 13.370 3.539 37 1HD PRO 6 2HD PRO 6 1.608 15.138 4.362 38 2HD PRO 6 1HD PRO 6 3.247 15.552 3.855 39 H ILE 7 H ILE 7 0.303 13.013 -0.357 40 HA ILE 7 HA ILE 7 -2.281 13.386 1.064 41 HB ILE 7 HB ILE 7 -1.657 14.044 -1.811 42 1HG1 ILE 7 2HG1 ILE 7 -3.239 15.422 0.359 43 2HG1 ILE 7 1HG1 ILE 7 -1.542 15.737 0.055 44 1HG2 ILE 7 1HG2 ILE 7 -3.565 12.634 -2.028 45 2HG2 ILE 7 2HG2 ILE 7 -4.223 14.269 -1.956 46 3HG2 ILE 7 3HG2 ILE 7 -4.271 13.235 -0.528 47 1HD1 ILE 7 1HD1 ILE 7 -3.314 17.306 -1.006 48 2HD1 ILE 7 2HD1 ILE 7 -3.584 15.983 -2.146 49 3HD1 ILE 7 3HD1 ILE 7 -1.991 16.735 -2.027 50 H CYS 8 H CYS 8 -3.093 11.494 1.471 51 HA CYS 8 HA CYS 8 -2.048 9.060 0.547 52 1HB CYS 8 2HB CYS 8 -3.315 9.132 2.587 53 2HB CYS 8 1HB CYS 8 -4.743 9.707 1.738 54 H GLY 9 H GLY 9 -2.094 8.293 -1.445 55 1HA GLY 9 2HA GLY 9 -3.775 9.263 -3.521 56 2HA GLY 9 1HA GLY 9 -2.846 7.767 -3.603 57 H ALA 10 H ALA 10 -4.595 7.444 -0.881 58 HA ALA 10 HA ALA 10 -6.549 5.704 -2.219 59 1HB ALA 10 1HB ALA 10 -5.197 5.355 0.059 60 2HB ALA 10 2HB ALA 10 -6.802 4.669 -0.167 61 3HB ALA 10 3HB ALA 10 -6.603 6.171 0.735 62 H CYS 11 H CYS 11 -6.785 8.253 0.264 63 HA CYS 11 HA CYS 11 -9.574 8.776 -0.637 64 1HB CYS 11 2HB CYS 11 -9.464 10.309 1.485 65 2HB CYS 11 1HB CYS 11 -9.569 8.561 1.700 66 H ARG 12 H ARG 12 -6.516 9.843 -1.336 67 HA ARG 12 HA ARG 12 -5.678 11.800 -2.295 68 1HB ARG 12 2HB ARG 12 -8.633 12.180 -2.884 69 2HB ARG 12 1HB ARG 12 -7.353 13.183 -3.557 70 1HG ARG 12 2HG ARG 12 -7.541 11.624 -5.257 71 2HG ARG 12 1HG ARG 12 -6.342 10.811 -4.254 72 1HD ARG 12 2HD ARG 12 -8.180 9.283 -4.933 73 2HD ARG 12 1HD ARG 12 -8.103 9.480 -3.184 74 HE ARG 12 HE ARG 12 -9.911 11.419 -3.990 75 1HH1 ARG 12 1HH2 ARG 12 -9.513 8.024 -4.434 76 2HH1 ARG 12 2HH2 ARG 12 -11.212 7.707 -4.553 77 1HH2 ARG 12 1HH1 ARG 12 -12.131 11.025 -4.143 78 2HH2 ARG 12 2HH1 ARG 12 -12.694 9.405 -4.388 79 H ARG 13 H ARG 13 -6.131 11.811 0.494 80 HA ARG 13 HA ARG 13 -6.942 14.652 0.953 81 1HB ARG 13 2HB ARG 13 -7.162 12.223 2.742 82 2HB ARG 13 1HB ARG 13 -7.309 13.865 3.361 83 1HG ARG 13 2HG ARG 13 -9.022 12.692 1.150 84 2HG ARG 13 1HG ARG 13 -9.518 12.845 2.832 85 1HD ARG 13 2HD ARG 13 -10.389 14.828 2.072 86 2HD ARG 13 1HD ARG 13 -8.749 15.396 2.374 87 HE ARG 13 HE ARG 13 -8.657 14.446 -0.230 88 1HH1 ARG 13 1HH2 ARG 13 -10.606 16.648 1.572 89 2HH1 ARG 13 2HH2 ARG 13 -10.951 17.663 0.211 90 1HH2 ARG 13 1HH1 ARG 13 -9.096 15.759 -2.016 91 2HH2 ARG 13 2HH1 ARG 13 -10.096 17.159 -1.820 92 HA PRO 14 HA PRO 14 -2.784 15.428 2.087 93 1HB PRO 14 2HB PRO 14 -3.472 17.072 4.363 94 2HB PRO 14 1HB PRO 14 -2.913 17.583 2.767 95 1HG PRO 14 2HG PRO 14 -5.536 17.876 3.818 96 2HG PRO 14 1HG PRO 14 -4.980 18.248 2.179 97 1HD PRO 14 2HD PRO 14 -6.656 16.033 3.043 98 2HD PRO 14 1HD PRO 14 -6.199 16.493 1.390 99 H ILE 15 H ILE 15 -1.679 13.749 2.982 100 HA ILE 15 HA ILE 15 -2.603 12.385 5.372 101 HB ILE 15 HB ILE 15 0.098 12.306 3.976 102 1HG1 ILE 15 2HG1 ILE 15 -1.888 10.074 3.974 103 2HG1 ILE 15 1HG1 ILE 15 -2.223 11.465 2.948 104 1HG2 ILE 15 1HG2 ILE 15 -1.039 10.857 6.350 105 2HG2 ILE 15 2HG2 ILE 15 0.596 11.465 6.102 106 3HG2 ILE 15 3HG2 ILE 15 0.061 10.001 5.269 107 1HD1 ILE 15 1HD1 ILE 15 -0.759 9.422 2.062 108 2HD1 ILE 15 2HD1 ILE 15 0.534 10.309 2.870 109 3HD1 ILE 15 3HD1 ILE 15 -0.393 11.080 1.588 110 H GLU 16 H GLU 16 -1.343 12.380 7.481 111 HA GLU 16 HA GLU 16 0.387 14.724 7.915 112 1HB GLU 16 2HB GLU 16 -1.254 15.501 9.802 113 2HB GLU 16 1HB GLU 16 -1.568 15.976 8.134 114 1HG GLU 16 2HG GLU 16 -3.601 15.100 9.304 115 2HG GLU 16 1HG GLU 16 -3.176 14.173 7.866 116 H GLY 17 H GLY 17 1.402 12.420 8.372 117 1HA GLY 17 2HA GLY 17 2.110 12.316 11.092 118 2HA GLY 17 1HA GLY 17 0.822 11.129 10.870 119 H ARG 18 H ARG 18 1.226 9.300 9.684 120 HA ARG 18 HA ARG 18 4.073 8.846 8.889 121 1HB ARG 18 2HB ARG 18 3.409 6.400 9.069 122 2HB ARG 18 1HB ARG 18 3.417 7.280 10.594 123 1HG ARG 18 2HG ARG 18 0.977 7.657 10.375 124 2HG ARG 18 1HG ARG 18 0.979 6.708 8.889 125 1HD ARG 18 2HD ARG 18 1.971 4.802 10.232 126 2HD ARG 18 1HD ARG 18 1.657 5.755 11.680 127 HE ARG 18 HE ARG 18 -0.789 5.705 10.381 128 1HH1 ARG 18 1HH2 ARG 18 1.540 3.386 11.423 129 2HH1 ARG 18 2HH2 ARG 18 0.369 2.143 11.711 130 1HH2 ARG 18 1HH1 ARG 18 -2.332 4.094 10.751 131 2HH2 ARG 18 2HH1 ARG 18 -1.823 2.544 11.330 132 H VAL 19 H VAL 19 4.446 8.256 6.746 133 HA VAL 19 HA VAL 19 2.018 8.036 4.995 134 HB VAL 19 HB VAL 19 4.669 9.346 4.320 135 1HG1 VAL 19 1HG1 VAL 19 2.940 10.253 2.470 136 2HG1 VAL 19 2HG1 VAL 19 2.194 8.687 2.780 137 3HG1 VAL 19 3HG1 VAL 19 3.870 8.772 2.232 138 1HG2 VAL 19 1HG2 VAL 19 3.723 11.419 4.759 139 2HG2 VAL 19 2HG2 VAL 19 2.924 10.459 6.003 140 3HG2 VAL 19 3HG2 VAL 19 2.081 10.836 4.502 141 H VAL 20 H VAL 20 2.376 6.884 2.971 142 HA VAL 20 HA VAL 20 4.636 4.932 3.072 143 HB VAL 20 HB VAL 20 1.700 4.441 2.631 144 1HG1 VAL 20 1HG1 VAL 20 2.584 2.124 1.760 145 2HG1 VAL 20 2HG1 VAL 20 4.028 3.043 1.325 146 3HG1 VAL 20 3HG1 VAL 20 2.464 3.475 0.632 147 1HG2 VAL 20 1HG2 VAL 20 3.749 2.638 3.911 148 2HG2 VAL 20 2HG2 VAL 20 2.016 2.736 4.224 149 3HG2 VAL 20 3HG2 VAL 20 3.089 4.013 4.791 150 H ASN 21 H ASN 21 5.885 5.333 1.318 151 HA ASN 21 HA ASN 21 4.694 6.760 -0.972 152 1HB ASN 21 2HB ASN 21 7.539 5.938 -0.376 153 2HB ASN 21 1HB ASN 21 7.046 6.879 -1.781 154 1HD2 ASN 21 1HD2 ASN 21 4.964 7.802 0.636 155 2HD2 ASN 21 2HD2 ASN 21 5.814 9.139 1.246 156 H ALA 22 H ALA 22 3.590 5.416 -2.301 157 HA ALA 22 HA ALA 22 5.079 3.146 -3.506 158 1HB ALA 22 1HB ALA 22 3.665 2.255 -1.615 159 2HB ALA 22 2HB ALA 22 3.228 1.609 -3.197 160 3HB ALA 22 3HB ALA 22 2.247 2.876 -2.461 161 H MET 23 H MET 23 4.052 2.474 -5.575 162 HA MET 23 HA MET 23 3.103 3.031 -7.647 163 1HB MET 23 2HB MET 23 1.145 4.735 -6.107 164 2HB MET 23 1HB MET 23 0.879 3.874 -7.621 165 1HG MET 23 2HG MET 23 1.517 2.400 -5.060 166 2HG MET 23 1HG MET 23 -0.132 2.836 -5.490 167 1HE MET 23 1HE MET 23 1.459 -1.004 -6.325 168 2HE MET 23 2HE MET 23 0.520 -0.213 -5.057 169 3HE MET 23 3HE MET 23 2.201 0.249 -5.318 170 H GLY 24 H GLY 24 4.930 4.852 -6.001 171 1HA GLY 24 2HA GLY 24 6.106 6.842 -6.491 172 2HA GLY 24 1HA GLY 24 5.160 6.950 -7.978 173 H LYS 25 H LYS 25 3.572 6.533 -4.953 174 HA LYS 25 HA LYS 25 2.724 9.406 -4.926 175 1HB LYS 25 2HB LYS 25 1.003 6.937 -4.544 176 2HB LYS 25 1HB LYS 25 0.452 8.592 -4.317 177 1HG LYS 25 2HG LYS 25 1.639 8.607 -6.858 178 2HG LYS 25 1HG LYS 25 0.764 7.078 -6.791 179 1HD LYS 25 2HD LYS 25 -0.866 8.581 -7.566 180 2HD LYS 25 1HD LYS 25 -1.202 8.498 -5.841 181 1HE LYS 25 2HE LYS 25 -1.206 10.818 -6.333 182 2HE LYS 25 1HE LYS 25 0.379 10.522 -5.617 183 1HZ LYS 25 1HZ LYS 25 1.430 10.761 -7.605 184 2HZ LYS 25 2HZ LYS 25 0.122 11.813 -7.868 185 3HZ LYS 25 3HZ LYS 25 0.097 10.243 -8.517 186 H GLN 26 H GLN 26 0.947 8.917 -2.749 187 HA GLN 26 HA GLN 26 2.715 8.055 -0.511 188 1HB GLN 26 2HB GLN 26 1.332 10.712 -0.908 189 2HB GLN 26 1HB GLN 26 1.698 10.123 0.707 190 1HG GLN 26 2HG GLN 26 3.957 10.452 0.462 191 2HG GLN 26 1HG GLN 26 3.946 9.931 -1.218 192 1HE2 GLN 26 1HE2 GLN 26 1.542 12.281 -0.844 193 2HE2 GLN 26 2HE2 GLN 26 2.436 13.636 -1.335 194 H TRP 27 H TRP 27 1.435 7.037 1.156 195 HA TRP 27 HA TRP 27 -1.526 7.114 0.754 196 1HB TRP 27 2HB TRP 27 0.099 4.576 1.052 197 2HB TRP 27 1HB TRP 27 -1.646 4.684 0.831 198 HD1 TRP 27 HD TRP 27 1.654 5.301 -1.037 199 HE1 TRP 27 1HE TRP 27 1.170 5.307 -3.570 200 HE3 TRP 27 3HE TRP 27 -3.417 4.973 -0.946 201 HZ2 TRP 27 2HZ TRP 27 -1.093 5.189 -5.325 202 HZ3 TRP 27 3HZ TRP 27 -4.723 4.922 -3.041 203 HH2 TRP 27 HH TRP 27 -3.569 5.029 -5.237 204 H HIS 28 H HIS 28 -2.693 6.995 2.698 205 HA HIS 28 HA HIS 28 -1.348 7.459 5.185 206 1HB HIS 28 2HB HIS 28 -4.097 6.374 4.516 207 2HB HIS 28 1HB HIS 28 -3.537 6.444 6.184 208 HD2 HIS 28 2HD HIS 28 -2.590 9.272 6.811 209 HE1 HIS 28 1HE HIS 28 -5.545 10.875 4.258 210 HE2 HIS 28 2HE HIS 28 -3.907 11.419 6.122 211 H VAL 29 H VAL 29 -0.298 5.950 6.515 212 HA VAL 29 HA VAL 29 0.352 3.369 5.605 213 HB VAL 29 HB VAL 29 0.295 4.636 8.337 214 1HG1 VAL 29 1HG1 VAL 29 -0.178 2.391 8.911 215 2HG1 VAL 29 2HG1 VAL 29 1.577 2.515 9.045 216 3HG1 VAL 29 3HG1 VAL 29 0.851 1.756 7.628 217 1HG2 VAL 29 1HG2 VAL 29 2.599 3.449 6.792 218 2HG2 VAL 29 2HG2 VAL 29 2.652 4.652 8.072 219 3HG2 VAL 29 3HG2 VAL 29 2.029 5.092 6.481 220 H GLU 30 H GLU 30 -2.562 4.577 6.809 221 HA GLU 30 HA GLU 30 -3.558 1.948 7.695 222 1HB GLU 30 2HB GLU 30 -4.093 3.986 9.009 223 2HB GLU 30 1HB GLU 30 -4.949 4.639 7.612 224 1HG GLU 30 2HG GLU 30 -6.563 3.614 9.114 225 2HG GLU 30 1HG GLU 30 -6.447 2.633 7.654 226 H HIS 31 H HIS 31 -3.828 4.150 4.961 227 HA HIS 31 HA HIS 31 -6.049 2.513 3.841 228 1HB HIS 31 2HB HIS 31 -4.819 5.118 2.885 229 2HB HIS 31 1HB HIS 31 -6.145 4.281 2.084 230 HD2 HIS 31 2HD HIS 31 -7.680 3.511 5.048 231 HE1 HIS 31 1HE HIS 31 -8.111 7.700 5.279 232 HE2 HIS 31 2HE HIS 31 -8.940 5.484 6.190 233 H PHE 32 H PHE 32 -2.685 2.509 3.728 234 HA PHE 32 HA PHE 32 -2.519 1.724 0.904 235 1HB PHE 32 2HB PHE 32 -0.583 2.788 2.244 236 2HB PHE 32 1HB PHE 32 -0.390 1.201 2.991 237 HD1 PHE 32 1HD PHE 32 1.197 -0.190 1.988 238 HD2 PHE 32 2HD PHE 32 -1.005 2.569 -0.465 239 HE1 PHE 32 1HE PHE 32 2.401 -1.000 -0.023 240 HE2 PHE 32 2HE PHE 32 0.196 1.752 -2.463 241 HZ PHE 32 HZ PHE 32 1.902 -0.032 -2.245 242 H VAL 33 H VAL 33 -3.550 -0.129 0.446 243 HA VAL 33 HA VAL 33 -3.048 -2.488 2.208 244 HB VAL 33 HB VAL 33 -5.374 -3.158 1.864 245 1HG1 VAL 33 1HG1 VAL 33 -4.576 -0.718 3.259 246 2HG1 VAL 33 2HG1 VAL 33 -5.688 -1.990 3.766 247 3HG1 VAL 33 3HG1 VAL 33 -6.268 -0.662 2.767 248 1HG2 VAL 33 1HG2 VAL 33 -5.767 -2.232 -0.336 249 2HG2 VAL 33 2HG2 VAL 33 -5.500 -0.591 0.258 250 3HG2 VAL 33 3HG2 VAL 33 -6.926 -1.492 0.771 251 H CYS 34 H CYS 34 -3.878 -4.498 1.065 252 HA CYS 34 HA CYS 34 -2.394 -4.930 -1.340 253 1HB CYS 34 2HB CYS 34 -2.787 -6.821 -0.027 254 2HB CYS 34 1HB CYS 34 -4.486 -6.448 0.196 255 H ALA 35 H ALA 35 -3.156 -5.174 -3.495 256 HA ALA 35 HA ALA 35 -5.602 -3.623 -4.084 257 1HB ALA 35 1HB ALA 35 -3.370 -3.289 -5.267 258 2HB ALA 35 2HB ALA 35 -4.766 -3.513 -6.325 259 3HB ALA 35 3HB ALA 35 -3.653 -4.848 -6.041 260 H LYS 36 H LYS 36 -5.645 -6.433 -2.968 261 HA LYS 36 HA LYS 36 -7.428 -7.600 -5.066 262 1HB LYS 36 2HB LYS 36 -5.277 -8.817 -5.139 263 2HB LYS 36 1HB LYS 36 -5.400 -9.150 -3.419 264 1HG LYS 36 2HG LYS 36 -6.144 -11.090 -4.717 265 2HG LYS 36 1HG LYS 36 -7.499 -10.400 -3.826 266 1HD LYS 36 2HD LYS 36 -8.478 -9.498 -5.752 267 2HD LYS 36 1HD LYS 36 -6.954 -9.486 -6.641 268 1HE LYS 36 2HE LYS 36 -8.644 -11.285 -7.321 269 2HE LYS 36 1HE LYS 36 -7.010 -11.845 -6.969 270 1HZ LYS 36 1HZ LYS 36 -9.476 -12.321 -5.536 271 2HZ LYS 36 2HZ LYS 36 -8.144 -11.943 -4.550 272 3HZ LYS 36 3HZ LYS 36 -8.068 -13.263 -5.617 273 H CYS 37 H CYS 37 -6.562 -7.305 -1.663 274 HA CYS 37 HA CYS 37 -9.305 -8.298 -0.969 275 1HB CYS 37 2HB CYS 37 -8.380 -9.414 0.974 276 2HB CYS 37 1HB CYS 37 -7.475 -9.930 -0.445 277 H GLU 38 H GLU 38 -6.930 -5.837 -0.630 278 HA GLU 38 HA GLU 38 -7.072 -3.776 0.418 279 1HB GLU 38 2HB GLU 38 -9.753 -4.517 1.569 280 2HB GLU 38 1HB GLU 38 -9.150 -2.927 1.109 281 1HG GLU 38 2HG GLU 38 -9.002 -4.049 -1.300 282 2HG GLU 38 1HG GLU 38 -10.239 -5.111 -0.629 283 H LYS 39 H LYS 39 -5.643 -5.728 1.681 284 HA LYS 39 HA LYS 39 -6.423 -5.532 4.552 285 1HB LYS 39 2HB LYS 39 -4.754 -7.427 2.963 286 2HB LYS 39 1HB LYS 39 -4.269 -7.132 4.631 287 1HG LYS 39 2HG LYS 39 -6.924 -7.499 5.016 288 2HG LYS 39 1HG LYS 39 -6.702 -8.492 3.579 289 1HD LYS 39 2HD LYS 39 -4.691 -9.517 4.821 290 2HD LYS 39 1HD LYS 39 -5.359 -8.754 6.265 291 1HE LYS 39 2HE LYS 39 -6.798 -10.730 4.469 292 2HE LYS 39 1HE LYS 39 -6.176 -11.061 6.085 293 1HZ LYS 39 1HZ LYS 39 -8.347 -10.557 6.532 294 2HZ LYS 39 2HZ LYS 39 -8.471 -9.419 5.275 295 3HZ LYS 39 3HZ LYS 39 -7.641 -9.024 6.704 296 HA PRO 40 HA PRO 40 -3.435 -2.177 4.326 297 1HB PRO 40 2HB PRO 40 -3.919 -1.483 7.008 298 2HB PRO 40 1HB PRO 40 -4.623 -0.716 5.603 299 1HG PRO 40 2HG PRO 40 -5.889 -2.450 7.538 300 2HG PRO 40 1HG PRO 40 -6.645 -1.585 6.204 301 1HD PRO 40 2HD PRO 40 -6.101 -4.406 6.401 302 2HD PRO 40 1HD PRO 40 -6.836 -3.548 5.036 303 H PHE 41 H PHE 41 -1.345 -2.095 4.852 304 HA PHE 41 HA PHE 41 -0.289 -4.142 6.748 305 1HB PHE 41 2HB PHE 41 1.516 -2.344 5.175 306 2HB PHE 41 1HB PHE 41 1.734 -4.033 5.624 307 HD1 PHE 41 1HD PHE 41 -0.153 -1.753 3.374 308 HD2 PHE 41 2HD PHE 41 1.020 -5.794 4.213 309 HE1 PHE 41 1HE PHE 41 -1.013 -2.463 1.155 310 HE2 PHE 41 2HE PHE 41 0.161 -6.503 2.008 311 HZ PHE 41 HZ PHE 41 -0.855 -4.848 0.473 312 H LEU 42 H LEU 42 -1.501 -2.358 8.252 313 HA LEU 42 HA LEU 42 -0.519 0.109 8.935 314 1HB LEU 42 2HB LEU 42 -1.443 -2.203 10.603 315 2HB LEU 42 1HB LEU 42 -0.752 -0.806 11.424 316 HG LEU 42 HG LEU 42 -2.375 0.671 10.283 317 1HD1 LEU 42 1HD1 LEU 42 -3.202 -1.928 9.012 318 2HD1 LEU 42 2HD1 LEU 42 -2.668 -0.442 8.220 319 3HD1 LEU 42 3HD1 LEU 42 -4.240 -0.500 9.023 320 1HD2 LEU 42 1HD2 LEU 42 -3.211 -0.090 12.371 321 2HD2 LEU 42 2HD2 LEU 42 -3.448 -1.731 11.768 322 3HD2 LEU 42 3HD2 LEU 42 -4.517 -0.434 11.235 323 H GLY 43 H GLY 43 0.880 -2.928 10.174 324 1HA GLY 43 2HA GLY 43 3.543 -1.574 10.246 325 2HA GLY 43 1HA GLY 43 2.971 -2.467 11.653 326 H HIS 44 H HIS 44 2.303 -3.489 8.367 327 HA HIS 44 HA HIS 44 4.097 -5.851 8.831 328 1HB HIS 44 2HB HIS 44 1.818 -5.955 6.890 329 2HB HIS 44 1HB HIS 44 2.525 -7.248 7.856 330 HD1 HIS 44 1HD HIS 44 2.367 -5.434 10.555 331 HD2 HIS 44 2HD HIS 44 -0.769 -6.431 7.999 332 HE1 HIS 44 1HE HIS 44 0.241 -5.230 11.918 333 H ARG 45 H ARG 45 4.001 -6.888 6.256 334 HA ARG 45 HA ARG 45 5.515 -4.808 4.719 335 1HB ARG 45 2HB ARG 45 6.990 -6.609 5.203 336 2HB ARG 45 1HB ARG 45 5.750 -7.819 4.874 337 1HG ARG 45 2HG ARG 45 5.870 -7.477 2.537 338 2HG ARG 45 1HG ARG 45 6.708 -5.936 2.717 339 1HD ARG 45 2HD ARG 45 7.898 -8.579 3.593 340 2HD ARG 45 1HD ARG 45 8.184 -7.871 2.003 341 HE ARG 45 HE ARG 45 8.842 -5.833 3.759 342 1HH1 ARG 45 1HH2 ARG 45 9.690 -9.149 3.344 343 2HH1 ARG 45 2HH2 ARG 45 11.293 -8.955 3.970 344 1HH2 ARG 45 1HH1 ARG 45 10.930 -5.561 4.580 345 2HH2 ARG 45 2HH1 ARG 45 11.996 -6.923 4.670 346 H HIS 46 H HIS 46 5.022 -4.536 2.501 347 HA HIS 46 HA HIS 46 2.531 -5.928 1.584 348 1HB HIS 46 2HB HIS 46 2.274 -3.856 0.098 349 2HB HIS 46 1HB HIS 46 1.953 -3.645 1.812 350 HD1 HIS 46 1HD HIS 46 3.688 -2.286 3.205 351 HD2 HIS 46 2HD HIS 46 4.643 -2.591 -0.844 352 HE1 HIS 46 1HE HIS 46 5.560 -0.632 2.784 353 H TYR 47 H TYR 47 2.370 -5.976 -0.830 354 HA TYR 47 HA TYR 47 5.041 -6.328 -2.121 355 1HB TYR 47 2HB TYR 47 2.682 -8.179 -2.478 356 2HB TYR 47 1HB TYR 47 4.338 -8.447 -2.986 357 HD1 TYR 47 1HD TYR 47 5.800 -9.632 -1.559 358 HD2 TYR 47 2HD TYR 47 2.322 -7.733 0.099 359 HE1 TYR 47 1HE TYR 47 6.338 -10.558 0.679 360 HE2 TYR 47 2HE TYR 47 2.874 -8.658 2.323 361 HH TYR 47 HH TYR 47 5.670 -9.643 3.253 362 H GLU 48 H GLU 48 5.131 -5.497 -4.198 363 HA GLU 48 HA GLU 48 2.627 -4.219 -5.214 364 1HB GLU 48 2HB GLU 48 5.550 -3.572 -5.474 365 2HB GLU 48 1HB GLU 48 4.395 -2.941 -6.649 366 1HG GLU 48 2HG GLU 48 3.149 -1.809 -4.943 367 2HG GLU 48 1HG GLU 48 4.041 -2.626 -3.660 368 H ARG 49 H ARG 49 2.045 -4.372 -7.383 369 HA ARG 49 HA ARG 49 3.596 -6.183 -9.143 370 1HB ARG 49 2HB ARG 49 2.021 -7.658 -7.940 371 2HB ARG 49 1HB ARG 49 0.681 -6.663 -8.488 372 1HG ARG 49 2HG ARG 49 2.181 -7.278 -10.816 373 2HG ARG 49 1HG ARG 49 2.067 -8.783 -9.909 374 1HD ARG 49 2HD ARG 49 -0.171 -8.976 -10.291 375 2HD ARG 49 1HD ARG 49 -0.470 -7.257 -10.077 376 HE ARG 49 HE ARG 49 0.902 -7.435 -12.495 377 1HH1 ARG 49 1HH2 ARG 49 -1.940 -8.770 -11.078 378 2HH1 ARG 49 2HH2 ARG 49 -2.770 -8.952 -12.587 379 1HH2 ARG 49 1HH1 ARG 49 -0.161 -7.669 -14.475 380 2HH2 ARG 49 2HH1 ARG 49 -1.762 -8.328 -14.511 381 H LYS 50 H LYS 50 3.512 -5.498 -11.206 382 HA LYS 50 HA LYS 50 3.163 -3.975 -12.939 383 1HB LYS 50 2HB LYS 50 0.927 -4.121 -13.893 384 2HB LYS 50 1HB LYS 50 1.408 -5.710 -13.304 385 1HG LYS 50 2HG LYS 50 0.034 -5.518 -11.367 386 2HG LYS 50 1HG LYS 50 -0.225 -3.795 -11.621 387 1HD LYS 50 2HD LYS 50 -1.059 -5.687 -13.789 388 2HD LYS 50 1HD LYS 50 -2.067 -5.569 -12.348 389 1HE LYS 50 2HE LYS 50 -2.215 -3.120 -12.654 390 2HE LYS 50 1HE LYS 50 -1.218 -3.245 -14.104 391 1HZ LYS 50 1HZ LYS 50 -3.945 -4.295 -13.658 392 2HZ LYS 50 2HZ LYS 50 -2.960 -4.873 -14.916 393 3HZ LYS 50 3HZ LYS 50 -3.409 -3.235 -14.869 394 H GLY 51 H GLY 51 3.031 -2.937 -10.129 395 1HA GLY 51 2HA GLY 51 2.973 -0.624 -9.518 396 2HA GLY 51 1HA GLY 51 1.941 -0.314 -10.907 397 H LEU 52 H LEU 52 1.336 -2.892 -8.634 398 HA LEU 52 HA LEU 52 -0.780 -1.307 -7.301 399 1HB LEU 52 2HB LEU 52 -1.220 -3.755 -8.987 400 2HB LEU 52 1HB LEU 52 -2.273 -3.449 -7.609 401 HG LEU 52 HG LEU 52 -1.758 -1.527 -9.898 402 1HD1 LEU 52 1HD1 LEU 52 -3.918 -2.115 -10.702 403 2HD1 LEU 52 2HD1 LEU 52 -4.322 -2.971 -9.213 404 3HD1 LEU 52 3HD1 LEU 52 -3.137 -3.652 -10.327 405 1HD2 LEU 52 1HD2 LEU 52 -2.389 -0.039 -8.271 406 2HD2 LEU 52 2HD2 LEU 52 -3.088 -1.297 -7.247 407 3HD2 LEU 52 3HD2 LEU 52 -4.007 -0.653 -8.610 408 H ALA 53 H ALA 53 -1.108 -1.939 -5.193 409 HA ALA 53 HA ALA 53 0.946 -3.623 -4.039 410 1HB ALA 53 1HB ALA 53 0.194 -1.773 -2.715 411 2HB ALA 53 2HB ALA 53 -0.378 -3.235 -1.901 412 3HB ALA 53 3HB ALA 53 -1.492 -2.271 -2.878 413 H TYR 54 H TYR 54 0.646 -5.561 -2.875 414 HA TYR 54 HA TYR 54 -1.939 -6.927 -3.004 415 1HB TYR 54 2HB TYR 54 0.476 -7.819 -4.573 416 2HB TYR 54 1HB TYR 54 -0.757 -8.957 -4.052 417 HD1 TYR 54 1HD TYR 54 0.103 -6.306 -6.344 418 HD2 TYR 54 2HD TYR 54 -3.127 -8.654 -4.785 419 HE1 TYR 54 1HE TYR 54 -1.299 -5.621 -8.234 420 HE2 TYR 54 2HE TYR 54 -4.553 -7.941 -6.712 421 HH TYR 54 HH TYR 54 -4.417 -7.051 -8.861 422 H CYS 55 H CYS 55 -2.084 -8.408 -1.289 423 HA CYS 55 HA CYS 55 -0.205 -8.214 0.808 424 1HB CYS 55 2HB CYS 55 -2.146 -10.449 0.128 425 2HB CYS 55 1HB CYS 55 -1.206 -10.412 1.617 426 H GLU 56 H GLU 56 0.902 -10.439 1.608 427 HA GLU 56 HA GLU 56 3.022 -11.044 -0.233 428 1HB GLU 56 2HB GLU 56 3.114 -11.284 2.297 429 2HB GLU 56 1HB GLU 56 2.141 -12.736 2.123 430 1HG GLU 56 2HG GLU 56 4.699 -12.395 0.563 431 2HG GLU 56 1HG GLU 56 4.714 -13.018 2.212 432 H THR 57 H THR 57 0.034 -12.710 0.651 433 HA THR 57 HA THR 57 0.633 -14.991 -1.090 434 HB THR 57 HB THR 57 -1.774 -14.273 0.592 435 HG1 THR 57 1HG THR 57 -0.779 -16.452 1.426 436 1HG2 THR 57 1HG2 THR 57 -2.657 -15.578 -1.184 437 2HG2 THR 57 2HG2 THR 57 -2.370 -16.727 0.123 438 3HG2 THR 57 3HG2 THR 57 -1.238 -16.624 -1.225 439 H HIS 58 H HIS 58 -1.579 -12.204 -1.158 440 HA HIS 58 HA HIS 58 -2.908 -13.106 -3.536 441 1HB HIS 58 2HB HIS 58 -2.650 -10.344 -2.336 442 2HB HIS 58 1HB HIS 58 -3.711 -10.753 -3.680 443 HD2 HIS 58 2HD HIS 58 -4.810 -13.655 -2.458 444 HE1 HIS 58 1HE HIS 58 -6.212 -11.341 0.779 445 HE2 HIS 58 2HE HIS 58 -6.401 -13.579 -0.399 446 H TYR 59 H TYR 59 -0.188 -10.915 -2.914 447 HA TYR 59 HA TYR 59 0.311 -10.137 -5.572 448 1HB TYR 59 2HB TYR 59 1.603 -9.200 -3.743 449 2HB TYR 59 1HB TYR 59 2.194 -10.781 -3.280 450 HD1 TYR 59 1HD TYR 59 1.819 -9.451 -6.729 451 HD2 TYR 59 2HD TYR 59 4.541 -10.560 -3.601 452 HE1 TYR 59 1HE TYR 59 3.695 -9.232 -8.285 453 HE2 TYR 59 2HE TYR 59 6.439 -10.318 -5.173 454 HH TYR 59 HH TYR 59 6.721 -8.823 -7.503 455 H ASN 60 H ASN 60 1.713 -12.762 -3.690 456 HA ASN 60 HA ASN 60 2.985 -14.012 -5.876 457 1HB ASN 60 2HB ASN 60 2.127 -15.004 -3.167 458 2HB ASN 60 1HB ASN 60 2.873 -16.090 -4.337 459 1HD2 ASN 60 1HD2 ASN 60 3.470 -13.332 -2.218 460 2HD2 ASN 60 2HD2 ASN 60 5.155 -13.304 -2.427 461 H GLN 61 H GLN 61 -0.218 -14.580 -4.410 462 HA GLN 61 HA GLN 61 -0.929 -16.799 -6.068 463 1HB GLN 61 2HB GLN 61 -2.555 -14.597 -4.808 464 2HB GLN 61 1HB GLN 61 -3.321 -15.781 -5.856 465 1HG GLN 61 2HG GLN 61 -1.567 -16.633 -3.553 466 2HG GLN 61 1HG GLN 61 -3.282 -16.293 -3.323 467 1HE2 GLN 61 1HE2 GLN 61 -0.985 -18.539 -4.785 468 2HE2 GLN 61 2HE2 GLN 61 -2.132 -19.704 -5.237 469 H LEU 62 H LEU 62 -0.922 -13.350 -6.545 470 HA LEU 62 HA LEU 62 -2.048 -13.427 -9.223 471 1HB LEU 62 2HB LEU 62 -0.818 -11.379 -7.431 472 2HB LEU 62 1HB LEU 62 -0.774 -11.048 -9.157 473 HG LEU 62 HG LEU 62 -3.321 -11.682 -9.069 474 1HD1 LEU 62 1HD1 LEU 62 -2.860 -10.765 -6.225 475 2HD1 LEU 62 2HD1 LEU 62 -3.184 -12.443 -6.676 476 3HD1 LEU 62 3HD1 LEU 62 -4.401 -11.199 -6.961 477 1HD2 LEU 62 1HD2 LEU 62 -2.134 -9.130 -7.982 478 2HD2 LEU 62 2HD2 LEU 62 -3.833 -9.302 -8.428 479 3HD2 LEU 62 3HD2 LEU 62 -2.578 -9.472 -9.654 480 H PHE 63 H PHE 63 1.198 -13.355 -7.833 481 HA PHE 63 HA PHE 63 2.301 -14.417 -10.341 482 1HB PHE 63 2HB PHE 63 2.761 -11.611 -9.405 483 2HB PHE 63 1HB PHE 63 4.109 -12.473 -10.143 484 HD1 PHE 63 1HD PHE 63 0.783 -11.041 -10.671 485 HD2 PHE 63 2HD PHE 63 4.010 -13.210 -12.487 486 HE1 PHE 63 1HE PHE 63 -0.188 -10.609 -12.916 487 HE2 PHE 63 2HE PHE 63 3.045 -12.776 -14.730 488 HZ PHE 63 HZ PHE 63 0.944 -11.474 -14.944 489 H GLY 64 H GLY 64 4.018 -12.566 -7.906 490 1HA GLY 64 2HA GLY 64 5.245 -13.400 -6.009 491 2HA GLY 64 1HA GLY 64 4.965 -15.044 -6.583 492 H ASP 65 H ASP 65 5.774 -13.628 -9.319 493 HA ASP 65 HA ASP 65 7.724 -13.747 -10.632 494 1HB ASP 65 2HB ASP 65 8.878 -12.570 -8.084 495 2HB ASP 65 1HB ASP 65 9.663 -12.548 -9.663 496 H VAL 66 H VAL 66 7.466 -16.194 -10.276 497 HA VAL 66 HA VAL 66 9.324 -17.437 -8.389 498 HB VAL 66 HB VAL 66 8.584 -19.548 -9.396 499 1HG1 VAL 66 1HG1 VAL 66 6.209 -19.372 -8.877 500 2HG1 VAL 66 2HG1 VAL 66 6.257 -17.623 -9.099 501 3HG1 VAL 66 3HG1 VAL 66 7.116 -18.365 -7.748 502 1HG2 VAL 66 1HG2 VAL 66 7.363 -17.684 -11.446 503 2HG2 VAL 66 2HG2 VAL 66 6.826 -19.352 -11.250 504 3HG2 VAL 66 3HG2 VAL 66 8.489 -19.013 -11.725 Start of MODEL 8 1 1H GLY 1 1HT GLY 1 11.676 27.711 2.577 2 2H GLY 1 2HT GLY 1 12.697 26.432 2.122 3 3H GLY 1 3HT GLY 1 12.844 27.132 3.662 4 1HA GLY 1 2HA GLY 1 11.524 24.880 3.230 5 2HA GLY 1 1HA GLY 1 11.102 26.010 4.518 6 H SER 2 H SER 2 9.211 24.286 3.235 7 HA SER 2 HA SER 2 7.207 26.260 2.504 8 1HB SER 2 2HB SER 2 8.085 24.302 0.362 9 2HB SER 2 1HB SER 2 6.792 25.491 0.228 10 HG SER 2 HG SER 2 8.358 27.117 0.480 11 H MET 3 H MET 3 5.318 25.455 3.281 12 HA MET 3 HA MET 3 5.043 22.947 4.510 13 1HB MET 3 2HB MET 3 3.460 25.113 4.374 14 2HB MET 3 1HB MET 3 2.619 24.106 3.196 15 1HG MET 3 2HG MET 3 3.181 23.481 6.102 16 2HG MET 3 1HG MET 3 1.612 23.622 5.311 17 1HE MET 3 1HE MET 3 2.980 19.851 6.469 18 2HE MET 3 2HE MET 3 2.035 21.207 7.079 19 3HE MET 3 3HE MET 3 3.781 21.364 6.912 20 H GLY 4 H GLY 4 4.773 20.901 3.723 21 1HA GLY 4 2HA GLY 4 3.677 20.532 0.988 22 2HA GLY 4 1HA GLY 4 5.280 19.877 1.321 23 H VAL 5 H VAL 5 1.866 19.649 2.213 24 HA VAL 5 HA VAL 5 2.329 17.281 3.885 25 HB VAL 5 HB VAL 5 -0.030 18.947 3.103 26 1HG1 VAL 5 1HG1 VAL 5 -1.428 17.093 4.288 27 2HG1 VAL 5 2HG1 VAL 5 -0.126 16.020 3.812 28 3HG1 VAL 5 3HG1 VAL 5 -1.039 16.890 2.578 29 1HG2 VAL 5 1HG2 VAL 5 1.047 19.439 5.209 30 2HG2 VAL 5 2HG2 VAL 5 1.008 17.738 5.681 31 3HG2 VAL 5 3HG2 VAL 5 -0.497 18.656 5.561 32 HA PRO 6 HA PRO 6 1.978 14.517 0.423 33 1HB PRO 6 2HB PRO 6 1.569 12.265 2.110 34 2HB PRO 6 1HB PRO 6 3.107 12.806 1.435 35 1HG PRO 6 2HG PRO 6 2.243 12.945 4.190 36 2HG PRO 6 1HG PRO 6 3.806 13.396 3.505 37 1HD PRO 6 2HD PRO 6 1.688 15.135 4.419 38 2HD PRO 6 1HD PRO 6 3.277 15.574 3.793 39 H ILE 7 H ILE 7 0.311 13.011 -0.367 40 HA ILE 7 HA ILE 7 -2.278 13.325 1.061 41 HB ILE 7 HB ILE 7 -1.655 14.053 -1.797 42 1HG1 ILE 7 2HG1 ILE 7 -3.255 15.363 0.404 43 2HG1 ILE 7 1HG1 ILE 7 -1.562 15.703 0.108 44 1HG2 ILE 7 1HG2 ILE 7 -4.218 14.255 -1.948 45 2HG2 ILE 7 2HG2 ILE 7 -4.265 13.196 -0.539 46 3HG2 ILE 7 3HG2 ILE 7 -3.547 12.628 -2.046 47 1HD1 ILE 7 1HD1 ILE 7 -3.614 15.987 -2.078 48 2HD1 ILE 7 2HD1 ILE 7 -2.020 16.736 -1.955 49 3HD1 ILE 7 3HD1 ILE 7 -3.336 17.284 -0.912 50 H CYS 8 H CYS 8 -3.102 11.433 1.412 51 HA CYS 8 HA CYS 8 -2.032 9.013 0.494 52 1HB CYS 8 2HB CYS 8 -3.333 9.014 2.488 53 2HB CYS 8 1HB CYS 8 -4.724 9.696 1.658 54 H GLY 9 H GLY 9 -2.028 8.248 -1.500 55 1HA GLY 9 2HA GLY 9 -3.665 9.221 -3.617 56 2HA GLY 9 1HA GLY 9 -2.704 7.746 -3.686 57 H ALA 10 H ALA 10 -4.575 7.425 -1.011 58 HA ALA 10 HA ALA 10 -6.433 5.632 -2.431 59 1HB ALA 10 1HB ALA 10 -6.633 6.061 0.516 60 2HB ALA 10 2HB ALA 10 -5.155 5.319 -0.088 61 3HB ALA 10 3HB ALA 10 -6.713 4.561 -0.407 62 H CYS 11 H CYS 11 -6.796 8.176 0.043 63 HA CYS 11 HA CYS 11 -9.552 8.670 -0.990 64 1HB CYS 11 2HB CYS 11 -9.666 10.074 1.182 65 2HB CYS 11 1HB CYS 11 -9.627 8.319 1.350 66 H ARG 12 H ARG 12 -6.470 9.806 -1.444 67 HA ARG 12 HA ARG 12 -5.622 11.805 -2.304 68 1HB ARG 12 2HB ARG 12 -8.487 12.602 -2.854 69 2HB ARG 12 1HB ARG 12 -7.041 13.043 -3.757 70 1HG ARG 12 2HG ARG 12 -8.372 10.329 -3.617 71 2HG ARG 12 1HG ARG 12 -8.171 11.345 -5.037 72 1HD ARG 12 2HD ARG 12 -6.047 9.842 -3.510 73 2HD ARG 12 1HD ARG 12 -6.485 9.656 -5.203 74 HE ARG 12 HE ARG 12 -4.503 11.426 -4.196 75 1HH1 ARG 12 1HH2 ARG 12 -7.259 11.509 -6.278 76 2HH1 ARG 12 2HH2 ARG 12 -6.748 12.946 -7.097 77 1HH2 ARG 12 1HH1 ARG 12 -3.830 13.279 -5.264 78 2HH2 ARG 12 2HH1 ARG 12 -4.810 13.943 -6.528 79 H ARG 13 H ARG 13 -6.035 11.690 0.457 80 HA ARG 13 HA ARG 13 -6.970 14.460 1.081 81 1HB ARG 13 2HB ARG 13 -7.163 11.880 2.619 82 2HB ARG 13 1HB ARG 13 -7.146 13.417 3.482 83 1HG ARG 13 2HG ARG 13 -9.040 14.173 1.998 84 2HG ARG 13 1HG ARG 13 -9.126 12.529 1.368 85 1HD ARG 13 2HD ARG 13 -9.318 13.188 4.316 86 2HD ARG 13 1HD ARG 13 -10.727 13.023 3.270 87 HE ARG 13 HE ARG 13 -9.317 10.676 2.851 88 1HH1 ARG 13 1HH2 ARG 13 -10.519 12.423 5.569 89 2HH1 ARG 13 2HH2 ARG 13 -10.784 11.007 6.530 90 1HH2 ARG 13 1HH1 ARG 13 -9.658 8.816 4.090 91 2HH2 ARG 13 2HH1 ARG 13 -10.297 8.965 5.693 92 HA PRO 14 HA PRO 14 -2.811 15.419 2.148 93 1HB PRO 14 2HB PRO 14 -3.664 16.936 4.478 94 2HB PRO 14 1HB PRO 14 -3.017 17.539 2.949 95 1HG PRO 14 2HG PRO 14 -5.708 17.706 3.831 96 2HG PRO 14 1HG PRO 14 -5.071 18.141 2.237 97 1HD PRO 14 2HD PRO 14 -6.743 15.873 2.923 98 2HD PRO 14 1HD PRO 14 -6.145 16.359 1.323 99 H ILE 15 H ILE 15 -1.663 13.722 2.995 100 HA ILE 15 HA ILE 15 -2.549 12.293 5.367 101 HB ILE 15 HB ILE 15 0.139 12.262 3.950 102 1HG1 ILE 15 2HG1 ILE 15 -1.930 10.097 3.821 103 2HG1 ILE 15 1HG1 ILE 15 -2.120 11.525 2.806 104 1HG2 ILE 15 1HG2 ILE 15 0.584 11.332 6.061 105 2HG2 ILE 15 2HG2 ILE 15 0.127 9.914 5.113 106 3HG2 ILE 15 3HG2 ILE 15 -1.037 10.658 6.208 107 1HD1 ILE 15 1HD1 ILE 15 -0.700 9.374 2.015 108 2HD1 ILE 15 2HD1 ILE 15 0.582 10.272 2.834 109 3HD1 ILE 15 3HD1 ILE 15 -0.300 11.012 1.502 110 H GLU 16 H GLU 16 -1.299 12.237 7.444 111 HA GLU 16 HA GLU 16 0.569 14.440 7.941 112 1HB GLU 16 2HB GLU 16 -0.902 15.488 9.711 113 2HB GLU 16 1HB GLU 16 -1.439 15.752 8.052 114 1HG GLU 16 2HG GLU 16 -2.473 13.405 9.635 115 2HG GLU 16 1HG GLU 16 -3.198 15.001 9.821 116 H GLY 17 H GLY 17 1.340 12.030 8.364 117 1HA GLY 17 2HA GLY 17 1.849 11.809 11.173 118 2HA GLY 17 1HA GLY 17 0.644 10.609 10.697 119 H ARG 18 H ARG 18 1.306 8.829 9.613 120 HA ARG 18 HA ARG 18 4.192 8.693 8.829 121 1HB ARG 18 2HB ARG 18 2.294 6.555 9.824 122 2HB ARG 18 1HB ARG 18 3.837 6.184 9.049 123 1HG ARG 18 2HG ARG 18 4.914 7.734 10.768 124 2HG ARG 18 1HG ARG 18 3.372 7.689 11.622 125 1HD ARG 18 2HD ARG 18 3.839 5.016 11.104 126 2HD ARG 18 1HD ARG 18 5.462 5.623 11.416 127 HE ARG 18 HE ARG 18 3.621 5.041 13.429 128 1HH1 ARG 18 1HH2 ARG 18 5.342 7.832 12.339 129 2HH1 ARG 18 2HH2 ARG 18 5.288 8.620 13.878 130 1HH2 ARG 18 1HH1 ARG 18 3.558 6.055 15.435 131 2HH2 ARG 18 2HH1 ARG 18 4.285 7.616 15.629 132 H VAL 19 H VAL 19 4.432 8.704 6.686 133 HA VAL 19 HA VAL 19 2.078 8.099 4.978 134 HB VAL 19 HB VAL 19 4.741 9.342 4.241 135 1HG1 VAL 19 1HG1 VAL 19 2.925 10.256 2.441 136 2HG1 VAL 19 2HG1 VAL 19 2.260 8.655 2.751 137 3HG1 VAL 19 3HG1 VAL 19 3.916 8.821 2.164 138 1HG2 VAL 19 1HG2 VAL 19 2.168 10.861 4.496 139 2HG2 VAL 19 2HG2 VAL 19 3.825 11.446 4.636 140 3HG2 VAL 19 3HG2 VAL 19 3.103 10.524 5.952 141 H VAL 20 H VAL 20 2.355 6.855 3.018 142 HA VAL 20 HA VAL 20 4.579 4.860 3.161 143 HB VAL 20 HB VAL 20 1.639 4.466 2.631 144 1HG1 VAL 20 1HG1 VAL 20 3.973 2.984 1.451 145 2HG1 VAL 20 2HG1 VAL 20 2.418 3.377 0.717 146 3HG1 VAL 20 3HG1 VAL 20 2.528 2.078 1.904 147 1HG2 VAL 20 1HG2 VAL 20 1.862 2.724 4.243 148 2HG2 VAL 20 2HG2 VAL 20 2.795 4.076 4.881 149 3HG2 VAL 20 3HG2 VAL 20 3.620 2.725 4.109 150 H ASN 21 H ASN 21 5.879 5.258 1.439 151 HA ASN 21 HA ASN 21 4.760 6.675 -0.890 152 1HB ASN 21 2HB ASN 21 7.563 5.851 -0.145 153 2HB ASN 21 1HB ASN 21 7.164 6.674 -1.649 154 1HD2 ASN 21 1HD2 ASN 21 5.472 7.355 1.393 155 2HD2 ASN 21 2HD2 ASN 21 6.086 8.927 1.584 156 H ALA 22 H ALA 22 3.673 5.348 -2.245 157 HA ALA 22 HA ALA 22 5.156 3.055 -3.409 158 1HB ALA 22 1HB ALA 22 2.283 2.806 -2.485 159 2HB ALA 22 2HB ALA 22 3.651 2.225 -1.535 160 3HB ALA 22 3HB ALA 22 3.318 1.527 -3.120 161 H MET 23 H MET 23 4.152 2.401 -5.510 162 HA MET 23 HA MET 23 3.265 3.003 -7.601 163 1HB MET 23 2HB MET 23 1.321 4.729 -6.059 164 2HB MET 23 1HB MET 23 1.066 3.932 -7.609 165 1HG MET 23 2HG MET 23 1.536 2.429 -5.018 166 2HG MET 23 1HG MET 23 -0.062 2.790 -5.662 167 1HE MET 23 1HE MET 23 1.977 0.190 -5.024 168 2HE MET 23 2HE MET 23 1.474 -1.033 -6.191 169 3HE MET 23 3HE MET 23 0.260 -0.184 -5.233 170 H GLY 24 H GLY 24 5.082 4.747 -5.866 171 1HA GLY 24 2HA GLY 24 6.334 6.709 -6.285 172 2HA GLY 24 1HA GLY 24 5.450 6.864 -7.806 173 H LYS 25 H LYS 25 3.609 6.418 -4.970 174 HA LYS 25 HA LYS 25 2.874 9.325 -4.903 175 1HB LYS 25 2HB LYS 25 1.099 6.884 -4.579 176 2HB LYS 25 1HB LYS 25 0.569 8.548 -4.366 177 1HG LYS 25 2HG LYS 25 1.864 8.490 -6.879 178 2HG LYS 25 1HG LYS 25 0.872 7.032 -6.824 179 1HD LYS 25 2HD LYS 25 -1.026 8.564 -5.987 180 2HD LYS 25 1HD LYS 25 -0.015 9.905 -6.523 181 1HE LYS 25 2HE LYS 25 0.134 8.504 -8.757 182 2HE LYS 25 1HE LYS 25 -1.350 7.768 -8.152 183 1HZ LYS 25 1HZ LYS 25 -2.365 9.916 -8.000 184 2HZ LYS 25 2HZ LYS 25 -1.737 9.729 -9.567 185 3HZ LYS 25 3HZ LYS 25 -0.920 10.692 -8.431 186 H GLN 26 H GLN 26 1.039 8.891 -2.767 187 HA GLN 26 HA GLN 26 2.749 8.014 -0.489 188 1HB GLN 26 2HB GLN 26 1.341 10.656 -0.926 189 2HB GLN 26 1HB GLN 26 1.702 10.083 0.696 190 1HG GLN 26 2HG GLN 26 3.965 10.422 0.461 191 2HG GLN 26 1HG GLN 26 3.963 9.916 -1.223 192 1HE2 GLN 26 1HE2 GLN 26 1.532 12.233 -0.857 193 2HE2 GLN 26 2HE2 GLN 26 2.413 13.602 -1.328 194 H TRP 27 H TRP 27 1.429 6.997 1.157 195 HA TRP 27 HA TRP 27 -1.519 7.040 0.657 196 1HB TRP 27 2HB TRP 27 0.138 4.531 1.016 197 2HB TRP 27 1HB TRP 27 -1.603 4.603 0.769 198 HD1 TRP 27 HD TRP 27 1.712 5.249 -1.054 199 HE1 TRP 27 1HE TRP 27 1.264 5.243 -3.596 200 HE3 TRP 27 3HE TRP 27 -3.356 4.876 -1.037 201 HZ2 TRP 27 2HZ TRP 27 -0.970 5.102 -5.381 202 HZ3 TRP 27 3HZ TRP 27 -4.630 4.807 -3.151 203 HH2 TRP 27 HH TRP 27 -3.447 4.919 -5.328 204 H HIS 28 H HIS 28 -2.746 6.954 2.555 205 HA HIS 28 HA HIS 28 -1.503 7.458 5.078 206 1HB HIS 28 2HB HIS 28 -4.219 6.372 4.317 207 2HB HIS 28 1HB HIS 28 -3.732 6.437 6.008 208 HD2 HIS 28 2HD HIS 28 -2.749 9.280 6.625 209 HE1 HIS 28 1HE HIS 28 -5.680 10.870 4.033 210 HE2 HIS 28 2HE HIS 28 -4.050 11.427 5.899 211 H VAL 29 H VAL 29 -0.486 6.025 6.466 212 HA VAL 29 HA VAL 29 0.239 3.423 5.695 213 HB VAL 29 HB VAL 29 0.004 4.787 8.375 214 1HG1 VAL 29 1HG1 VAL 29 0.707 1.910 7.788 215 2HG1 VAL 29 2HG1 VAL 29 -0.429 2.537 8.982 216 3HG1 VAL 29 3HG1 VAL 29 1.307 2.739 9.225 217 1HG2 VAL 29 1HG2 VAL 29 2.356 4.901 8.235 218 2HG2 VAL 29 2HG2 VAL 29 1.818 5.236 6.589 219 3HG2 VAL 29 3HG2 VAL 29 2.436 3.636 7.014 220 H GLU 30 H GLU 30 -2.735 4.649 6.743 221 HA GLU 30 HA GLU 30 -3.754 2.037 7.653 222 1HB GLU 30 2HB GLU 30 -4.562 3.698 9.068 223 2HB GLU 30 1HB GLU 30 -4.727 4.870 7.763 224 1HG GLU 30 2HG GLU 30 -6.738 3.935 7.000 225 2HG GLU 30 1HG GLU 30 -6.424 2.388 7.781 226 H HIS 31 H HIS 31 -3.964 4.192 4.867 227 HA HIS 31 HA HIS 31 -6.148 2.512 3.732 228 1HB HIS 31 2HB HIS 31 -4.935 5.112 2.748 229 2HB HIS 31 1HB HIS 31 -6.230 4.239 1.937 230 HD2 HIS 31 2HD HIS 31 -7.836 3.508 4.863 231 HE1 HIS 31 1HE HIS 31 -8.294 7.698 5.030 232 HE2 HIS 31 2HE HIS 31 -9.137 5.490 5.947 233 H PHE 32 H PHE 32 -2.782 2.543 3.686 234 HA PHE 32 HA PHE 32 -2.556 1.731 0.875 235 1HB PHE 32 2HB PHE 32 -0.652 2.820 2.241 236 2HB PHE 32 1HB PHE 32 -0.458 1.238 3.000 237 HD1 PHE 32 1HD PHE 32 1.133 -0.167 2.019 238 HD2 PHE 32 2HD PHE 32 -1.025 2.599 -0.463 239 HE1 PHE 32 1HE PHE 32 2.357 -0.986 0.024 240 HE2 PHE 32 2HE PHE 32 0.196 1.774 -2.446 241 HZ PHE 32 HZ PHE 32 1.890 -0.020 -2.205 242 H VAL 33 H VAL 33 -3.583 -0.123 0.424 243 HA VAL 33 HA VAL 33 -3.060 -2.481 2.181 244 HB VAL 33 HB VAL 33 -5.386 -3.164 1.848 245 1HG1 VAL 33 1HG1 VAL 33 -6.293 -0.686 2.782 246 2HG1 VAL 33 2HG1 VAL 33 -4.598 -0.728 3.256 247 3HG1 VAL 33 3HG1 VAL 33 -5.691 -2.018 3.766 248 1HG2 VAL 33 1HG2 VAL 33 -5.802 -2.222 -0.340 249 2HG2 VAL 33 2HG2 VAL 33 -5.539 -0.586 0.265 250 3HG2 VAL 33 3HG2 VAL 33 -6.956 -1.498 0.781 251 H CYS 34 H CYS 34 -3.841 -4.502 1.047 252 HA CYS 34 HA CYS 34 -2.398 -4.921 -1.370 253 1HB CYS 34 2HB CYS 34 -2.822 -6.828 -0.097 254 2HB CYS 34 1HB CYS 34 -4.511 -6.428 0.145 255 H ALA 35 H ALA 35 -3.149 -5.112 -3.528 256 HA ALA 35 HA ALA 35 -5.582 -3.526 -4.101 257 1HB ALA 35 1HB ALA 35 -3.716 -4.727 -6.137 258 2HB ALA 35 2HB ALA 35 -3.269 -3.273 -5.244 259 3HB ALA 35 3HB ALA 35 -4.703 -3.273 -6.275 260 H LYS 36 H LYS 36 -5.857 -6.194 -2.973 261 HA LYS 36 HA LYS 36 -7.496 -7.417 -5.137 262 1HB LYS 36 2HB LYS 36 -5.028 -8.451 -4.472 263 2HB LYS 36 1HB LYS 36 -6.089 -9.383 -3.431 264 1HG LYS 36 2HG LYS 36 -6.472 -9.050 -6.422 265 2HG LYS 36 1HG LYS 36 -5.735 -10.447 -5.649 266 1HD LYS 36 2HD LYS 36 -7.820 -10.801 -4.352 267 2HD LYS 36 1HD LYS 36 -8.563 -9.462 -5.227 268 1HE LYS 36 2HE LYS 36 -8.337 -10.628 -7.333 269 2HE LYS 36 1HE LYS 36 -7.388 -11.906 -6.575 270 1HZ LYS 36 1HZ LYS 36 -10.197 -11.650 -6.753 271 2HZ LYS 36 2HZ LYS 36 -9.731 -11.700 -5.120 272 3HZ LYS 36 3HZ LYS 36 -9.280 -12.955 -6.175 273 H CYS 37 H CYS 37 -6.615 -7.363 -1.706 274 HA CYS 37 HA CYS 37 -9.421 -8.206 -1.049 275 1HB CYS 37 2HB CYS 37 -8.521 -9.330 0.915 276 2HB CYS 37 1HB CYS 37 -7.658 -9.887 -0.514 277 H GLU 38 H GLU 38 -6.946 -5.842 -0.624 278 HA GLU 38 HA GLU 38 -7.079 -3.762 0.391 279 1HB GLU 38 2HB GLU 38 -9.741 -4.472 1.605 280 2HB GLU 38 1HB GLU 38 -9.126 -2.889 1.140 281 1HG GLU 38 2HG GLU 38 -9.044 -4.076 -1.277 282 2HG GLU 38 1HG GLU 38 -10.356 -5.011 -0.559 283 H LYS 39 H LYS 39 -5.634 -5.727 1.616 284 HA LYS 39 HA LYS 39 -6.362 -5.565 4.499 285 1HB LYS 39 2HB LYS 39 -5.650 -7.769 3.322 286 2HB LYS 39 1HB LYS 39 -4.018 -7.105 3.399 287 1HG LYS 39 2HG LYS 39 -5.784 -7.202 5.849 288 2HG LYS 39 1HG LYS 39 -4.816 -8.585 5.371 289 1HD LYS 39 2HD LYS 39 -2.824 -6.936 5.290 290 2HD LYS 39 1HD LYS 39 -3.869 -5.848 6.204 291 1HE LYS 39 2HE LYS 39 -4.224 -7.802 7.826 292 2HE LYS 39 1HE LYS 39 -2.866 -8.580 7.014 293 1HZ LYS 39 1HZ LYS 39 -1.489 -7.352 8.206 294 2HZ LYS 39 2HZ LYS 39 -2.797 -6.611 8.995 295 3HZ LYS 39 3HZ LYS 39 -2.164 -5.930 7.574 296 HA PRO 40 HA PRO 40 -3.427 -2.150 4.304 297 1HB PRO 40 2HB PRO 40 -3.895 -1.480 6.990 298 2HB PRO 40 1HB PRO 40 -4.654 -0.735 5.601 299 1HG PRO 40 2HG PRO 40 -5.815 -2.525 7.555 300 2HG PRO 40 1HG PRO 40 -6.633 -1.665 6.254 301 1HD PRO 40 2HD PRO 40 -5.999 -4.473 6.393 302 2HD PRO 40 1HD PRO 40 -6.793 -3.617 5.065 303 H PHE 41 H PHE 41 -1.332 -2.044 4.804 304 HA PHE 41 HA PHE 41 -0.235 -4.067 6.705 305 1HB PHE 41 2HB PHE 41 1.537 -2.267 5.095 306 2HB PHE 41 1HB PHE 41 1.783 -3.944 5.573 307 HD1 PHE 41 1HD PHE 41 -0.177 -1.738 3.309 308 HD2 PHE 41 2HD PHE 41 1.122 -5.732 4.183 309 HE1 PHE 41 1HE PHE 41 -1.029 -2.497 1.103 310 HE2 PHE 41 2HE PHE 41 0.268 -6.490 1.992 311 HZ PHE 41 HZ PHE 41 -0.808 -4.883 0.447 312 H LEU 42 H LEU 42 -1.444 -2.286 8.212 313 HA LEU 42 HA LEU 42 -0.485 0.202 8.856 314 1HB LEU 42 2HB LEU 42 -1.334 -2.108 10.571 315 2HB LEU 42 1HB LEU 42 -0.663 -0.682 11.356 316 HG LEU 42 HG LEU 42 -2.340 0.737 10.227 317 1HD1 LEU 42 1HD1 LEU 42 -2.640 -0.407 8.179 318 2HD1 LEU 42 2HD1 LEU 42 -4.198 -0.488 9.009 319 3HD1 LEU 42 3HD1 LEU 42 -3.127 -1.893 8.997 320 1HD2 LEU 42 1HD2 LEU 42 -4.440 -0.406 11.225 321 2HD2 LEU 42 2HD2 LEU 42 -3.123 -0.023 12.337 322 3HD2 LEU 42 3HD2 LEU 42 -3.333 -1.674 11.753 323 H GLY 43 H GLY 43 0.976 -2.805 10.092 324 1HA GLY 43 2HA GLY 43 3.625 -1.422 10.095 325 2HA GLY 43 1HA GLY 43 3.097 -2.319 11.517 326 H HIS 44 H HIS 44 2.338 -3.366 8.265 327 HA HIS 44 HA HIS 44 4.172 -5.707 8.673 328 1HB HIS 44 2HB HIS 44 1.415 -5.468 7.501 329 2HB HIS 44 1HB HIS 44 2.481 -6.756 6.946 330 HD1 HIS 44 1HD HIS 44 1.389 -8.729 8.116 331 HD2 HIS 44 2HD HIS 44 2.264 -5.605 10.732 332 HE1 HIS 44 1HE HIS 44 0.982 -9.617 10.453 333 H ARG 45 H ARG 45 4.474 -6.794 6.335 334 HA ARG 45 HA ARG 45 5.718 -4.678 4.658 335 1HB ARG 45 2HB ARG 45 7.236 -6.444 5.163 336 2HB ARG 45 1HB ARG 45 6.028 -7.684 4.837 337 1HG ARG 45 2HG ARG 45 6.089 -7.234 2.471 338 2HG ARG 45 1HG ARG 45 7.078 -5.795 2.713 339 1HD ARG 45 2HD ARG 45 8.576 -7.770 3.950 340 2HD ARG 45 1HD ARG 45 7.888 -8.624 2.575 341 HE ARG 45 HE ARG 45 10.080 -6.903 2.392 342 1HH1 ARG 45 1HH2 ARG 45 6.901 -7.071 1.051 343 2HH1 ARG 45 2HH2 ARG 45 7.312 -6.155 -0.358 344 1HH2 ARG 45 1HH1 ARG 45 10.622 -5.721 0.558 345 2HH2 ARG 45 2HH1 ARG 45 9.414 -5.395 -0.639 346 H HIS 46 H HIS 46 5.110 -4.371 2.486 347 HA HIS 46 HA HIS 46 2.653 -5.858 1.625 348 1HB HIS 46 2HB HIS 46 2.344 -3.813 0.102 349 2HB HIS 46 1HB HIS 46 2.031 -3.587 1.817 350 HD1 HIS 46 1HD HIS 46 3.805 -2.231 3.192 351 HD2 HIS 46 2HD HIS 46 4.631 -2.467 -0.889 352 HE1 HIS 46 1HE HIS 46 5.629 -0.534 2.731 353 H TYR 47 H TYR 47 2.452 -5.855 -0.830 354 HA TYR 47 HA TYR 47 5.110 -6.231 -2.137 355 1HB TYR 47 2HB TYR 47 2.761 -8.103 -2.452 356 2HB TYR 47 1HB TYR 47 4.412 -8.361 -2.985 357 HD1 TYR 47 1HD TYR 47 5.917 -9.508 -1.574 358 HD2 TYR 47 2HD TYR 47 2.430 -7.665 0.127 359 HE1 TYR 47 1HE TYR 47 6.499 -10.419 0.658 360 HE2 TYR 47 2HE TYR 47 3.026 -8.577 2.343 361 HH TYR 47 HH TYR 47 5.494 -9.332 3.408 362 H GLU 48 H GLU 48 5.171 -5.454 -4.241 363 HA GLU 48 HA GLU 48 2.650 -4.193 -5.248 364 1HB GLU 48 2HB GLU 48 5.571 -3.542 -5.604 365 2HB GLU 48 1HB GLU 48 4.340 -2.871 -6.676 366 1HG GLU 48 2HG GLU 48 3.262 -1.725 -4.910 367 2HG GLU 48 1HG GLU 48 4.093 -2.669 -3.674 368 H ARG 49 H ARG 49 2.005 -4.439 -7.361 369 HA ARG 49 HA ARG 49 3.594 -6.100 -9.205 370 1HB ARG 49 2HB ARG 49 2.200 -7.684 -7.799 371 2HB ARG 49 1HB ARG 49 0.769 -6.939 -8.500 372 1HG ARG 49 2HG ARG 49 2.841 -7.791 -10.443 373 2HG ARG 49 1HG ARG 49 2.017 -9.098 -9.604 374 1HD ARG 49 2HD ARG 49 -0.158 -8.152 -10.265 375 2HD ARG 49 1HD ARG 49 0.658 -6.849 -11.111 376 HE ARG 49 HE ARG 49 0.039 -9.286 -12.293 377 1HH1 ARG 49 1HH2 ARG 49 2.954 -7.521 -11.666 378 2HH1 ARG 49 2HH2 ARG 49 3.830 -8.290 -12.944 379 1HH2 ARG 49 1HH1 ARG 49 1.175 -10.243 -13.969 380 2HH2 ARG 49 2HH1 ARG 49 2.830 -9.815 -14.242 381 H LYS 50 H LYS 50 3.502 -4.956 -11.062 382 HA LYS 50 HA LYS 50 2.684 -3.688 -12.834 383 1HB LYS 50 2HB LYS 50 0.046 -4.793 -11.825 384 2HB LYS 50 1HB LYS 50 0.221 -3.864 -13.309 385 1HG LYS 50 2HG LYS 50 2.025 -6.219 -12.910 386 2HG LYS 50 1HG LYS 50 0.341 -6.526 -13.336 387 1HD LYS 50 2HD LYS 50 0.546 -5.064 -15.297 388 2HD LYS 50 1HD LYS 50 2.222 -4.715 -14.876 389 1HE LYS 50 2HE LYS 50 2.263 -6.444 -16.553 390 2HE LYS 50 1HE LYS 50 2.674 -7.204 -15.016 391 1HZ LYS 50 1HZ LYS 50 -0.152 -7.103 -15.701 392 2HZ LYS 50 2HZ LYS 50 0.744 -8.337 -14.949 393 3HZ LYS 50 3HZ LYS 50 0.807 -8.145 -16.636 394 H GLY 51 H GLY 51 3.018 -2.505 -10.155 395 1HA GLY 51 2HA GLY 51 2.716 -0.290 -9.373 396 2HA GLY 51 1HA GLY 51 1.655 -0.007 -10.752 397 H LEU 52 H LEU 52 1.237 -2.682 -8.578 398 HA LEU 52 HA LEU 52 -1.007 -1.313 -7.205 399 1HB LEU 52 2HB LEU 52 -1.196 -3.777 -8.923 400 2HB LEU 52 1HB LEU 52 -2.315 -3.538 -7.586 401 HG LEU 52 HG LEU 52 -1.844 -1.565 -9.836 402 1HD1 LEU 52 1HD1 LEU 52 -4.272 -2.281 -10.358 403 2HD1 LEU 52 2HD1 LEU 52 -3.936 -3.684 -9.341 404 3HD1 LEU 52 3HD1 LEU 52 -2.980 -3.401 -10.798 405 1HD2 LEU 52 1HD2 LEU 52 -3.296 -1.479 -7.253 406 2HD2 LEU 52 2HD2 LEU 52 -4.244 -0.942 -8.643 407 3HD2 LEU 52 3HD2 LEU 52 -2.711 -0.157 -8.263 408 H ALA 53 H ALA 53 -1.188 -1.949 -5.100 409 HA ALA 53 HA ALA 53 0.958 -3.593 -4.038 410 1HB ALA 53 1HB ALA 53 -1.446 -2.270 -2.779 411 2HB ALA 53 2HB ALA 53 0.245 -1.770 -2.665 412 3HB ALA 53 3HB ALA 53 -0.302 -3.238 -1.844 413 H TYR 54 H TYR 54 0.712 -5.535 -2.825 414 HA TYR 54 HA TYR 54 -1.856 -6.950 -2.935 415 1HB TYR 54 2HB TYR 54 0.581 -7.794 -4.500 416 2HB TYR 54 1HB TYR 54 -0.628 -8.956 -3.973 417 HD1 TYR 54 1HD TYR 54 0.214 -6.440 -6.376 418 HD2 TYR 54 2HD TYR 54 -3.047 -8.552 -4.583 419 HE1 TYR 54 1HE TYR 54 -1.227 -5.788 -8.246 420 HE2 TYR 54 2HE TYR 54 -4.521 -7.872 -6.478 421 HH TYR 54 HH TYR 54 -4.426 -7.102 -8.686 422 H CYS 55 H CYS 55 -1.997 -8.384 -1.186 423 HA CYS 55 HA CYS 55 -0.087 -8.190 0.887 424 1HB CYS 55 2HB CYS 55 -1.944 -10.529 0.310 425 2HB CYS 55 1HB CYS 55 -1.122 -10.237 1.838 426 H GLU 56 H GLU 56 1.147 -10.278 1.688 427 HA GLU 56 HA GLU 56 3.164 -10.968 -0.209 428 1HB GLU 56 2HB GLU 56 3.312 -11.185 2.328 429 2HB GLU 56 1HB GLU 56 2.349 -12.646 2.180 430 1HG GLU 56 2HG GLU 56 4.873 -12.281 0.567 431 2HG GLU 56 1HG GLU 56 4.922 -12.914 2.211 432 H THR 57 H THR 57 0.145 -12.530 0.701 433 HA THR 57 HA THR 57 0.689 -14.888 -0.952 434 HB THR 57 HB THR 57 -1.758 -14.063 0.624 435 HG1 THR 57 1HG THR 57 0.344 -15.908 1.084 436 1HG2 THR 57 1HG2 THR 57 -2.507 -15.524 -1.108 437 2HG2 THR 57 2HG2 THR 57 -2.317 -16.535 0.325 438 3HG2 THR 57 3HG2 THR 57 -1.090 -16.561 -0.942 439 H HIS 58 H HIS 58 -1.592 -12.134 -1.086 440 HA HIS 58 HA HIS 58 -2.852 -13.066 -3.472 441 1HB HIS 58 2HB HIS 58 -2.614 -10.315 -2.252 442 2HB HIS 58 1HB HIS 58 -3.577 -10.651 -3.689 443 HD2 HIS 58 2HD HIS 58 -4.866 -13.545 -2.639 444 HE1 HIS 58 1HE HIS 58 -6.382 -11.279 0.582 445 HE2 HIS 58 2HE HIS 58 -6.570 -13.478 -0.668 446 H TYR 59 H TYR 59 -0.113 -10.900 -2.876 447 HA TYR 59 HA TYR 59 0.381 -10.120 -5.529 448 1HB TYR 59 2HB TYR 59 1.701 -9.239 -3.685 449 2HB TYR 59 1HB TYR 59 2.264 -10.839 -3.256 450 HD1 TYR 59 1HD TYR 59 1.915 -9.552 -6.720 451 HD2 TYR 59 2HD TYR 59 4.618 -10.522 -3.527 452 HE1 TYR 59 1HE TYR 59 3.807 -9.307 -8.246 453 HE2 TYR 59 2HE TYR 59 6.532 -10.264 -5.078 454 HH TYR 59 HH TYR 59 6.869 -8.860 -7.368 455 H ASN 60 H ASN 60 1.740 -12.791 -3.682 456 HA ASN 60 HA ASN 60 2.912 -14.071 -5.922 457 1HB ASN 60 2HB ASN 60 2.148 -15.054 -3.175 458 2HB ASN 60 1HB ASN 60 2.892 -16.114 -4.372 459 1HD2 ASN 60 1HD2 ASN 60 3.460 -13.275 -2.325 460 2HD2 ASN 60 2HD2 ASN 60 5.144 -13.241 -2.537 461 H GLN 61 H GLN 61 -0.210 -14.574 -4.268 462 HA GLN 61 HA GLN 61 -1.067 -16.798 -5.826 463 1HB GLN 61 2HB GLN 61 -2.321 -15.639 -3.863 464 2HB GLN 61 1HB GLN 61 -2.944 -14.545 -5.099 465 1HG GLN 61 2HG GLN 61 -3.790 -16.510 -6.370 466 2HG GLN 61 1HG GLN 61 -3.240 -17.561 -5.064 467 1HE2 GLN 61 1HE2 GLN 61 -4.645 -17.831 -3.296 468 2HE2 GLN 61 2HE2 GLN 61 -6.057 -16.923 -3.051 469 H LEU 62 H LEU 62 -0.898 -13.386 -6.446 470 HA LEU 62 HA LEU 62 -2.184 -13.548 -9.065 471 1HB LEU 62 2HB LEU 62 -0.893 -11.420 -7.409 472 2HB LEU 62 1HB LEU 62 -0.931 -11.164 -9.148 473 HG LEU 62 HG LEU 62 -3.425 -11.718 -9.015 474 1HD1 LEU 62 1HD1 LEU 62 -4.523 -11.657 -6.947 475 2HD1 LEU 62 2HD1 LEU 62 -3.135 -10.941 -6.128 476 3HD1 LEU 62 3HD1 LEU 62 -3.100 -12.638 -6.619 477 1HD2 LEU 62 1HD2 LEU 62 -2.823 -9.457 -9.415 478 2HD2 LEU 62 2HD2 LEU 62 -2.206 -9.259 -7.775 479 3HD2 LEU 62 3HD2 LEU 62 -3.946 -9.404 -8.053 480 H PHE 63 H PHE 63 1.107 -13.422 -7.784 481 HA PHE 63 HA PHE 63 2.125 -14.628 -10.246 482 1HB PHE 63 2HB PHE 63 2.602 -11.742 -9.562 483 2HB PHE 63 1HB PHE 63 3.842 -12.652 -10.424 484 HD1 PHE 63 1HD PHE 63 0.605 -11.042 -10.635 485 HD2 PHE 63 2HD PHE 63 3.261 -13.776 -12.611 486 HE1 PHE 63 1HE PHE 63 -0.702 -10.797 -12.737 487 HE2 PHE 63 2HE PHE 63 1.966 -13.525 -14.710 488 HZ PHE 63 HZ PHE 63 -0.017 -12.037 -14.772 489 H GLY 64 H GLY 64 3.844 -12.526 -7.990 490 1HA GLY 64 2HA GLY 64 5.209 -13.183 -6.125 491 2HA GLY 64 1HA GLY 64 4.976 -14.870 -6.583 492 H ASP 65 H ASP 65 5.592 -13.613 -9.440 493 HA ASP 65 HA ASP 65 8.446 -13.076 -9.288 494 1HB ASP 65 2HB ASP 65 8.991 -15.154 -10.707 495 2HB ASP 65 1HB ASP 65 8.715 -15.417 -8.985 496 H VAL 66 H VAL 66 7.337 -14.938 -11.964 497 HA VAL 66 HA VAL 66 7.789 -12.840 -13.846 498 HB VAL 66 HB VAL 66 6.708 -14.340 -15.480 499 1HG1 VAL 66 1HG1 VAL 66 8.104 -16.399 -14.975 500 2HG1 VAL 66 2HG1 VAL 66 8.514 -15.651 -13.431 501 3HG1 VAL 66 3HG1 VAL 66 8.990 -14.875 -14.942 502 1HG2 VAL 66 1HG2 VAL 66 5.856 -16.564 -14.533 503 2HG2 VAL 66 2HG2 VAL 66 4.819 -15.162 -14.269 504 3HG2 VAL 66 3HG2 VAL 66 5.833 -15.769 -12.959 Start of MODEL 9 1 1H GLY 1 1HT GLY 1 8.684 28.244 3.184 2 2H GLY 1 2HT GLY 1 9.117 27.902 1.577 3 3H GLY 1 3HT GLY 1 10.317 28.035 2.772 4 1HA GLY 1 2HA GLY 1 9.157 25.722 1.919 5 2HA GLY 1 1HA GLY 1 10.103 25.927 3.394 6 H SER 2 H SER 2 6.905 25.535 2.094 7 HA SER 2 HA SER 2 5.893 24.848 4.753 8 1HB SER 2 2HB SER 2 4.679 27.182 3.244 9 2HB SER 2 1HB SER 2 4.059 26.485 4.738 10 HG SER 2 HG SER 2 6.424 26.943 5.402 11 H MET 3 H MET 3 4.504 25.900 1.617 12 HA MET 3 HA MET 3 2.384 24.078 1.516 13 1HB MET 3 2HB MET 3 2.454 24.334 -0.926 14 2HB MET 3 1HB MET 3 2.746 25.888 -0.145 15 1HG MET 3 2HG MET 3 5.248 25.329 -0.337 16 2HG MET 3 1HG MET 3 4.758 24.052 -1.452 17 1HE MET 3 1HE MET 3 5.497 24.572 -3.675 18 2HE MET 3 2HE MET 3 6.631 25.625 -2.831 19 3HE MET 3 3HE MET 3 5.810 26.205 -4.278 20 H GLY 4 H GLY 4 2.256 21.889 1.254 21 1HA GLY 4 2HA GLY 4 3.869 20.229 -0.305 22 2HA GLY 4 1HA GLY 4 4.668 20.293 1.267 23 H VAL 5 H VAL 5 3.974 18.864 2.774 24 HA VAL 5 HA VAL 5 2.686 17.200 3.795 25 HB VAL 5 HB VAL 5 0.680 19.199 2.835 26 1HG1 VAL 5 1HG1 VAL 5 -0.629 17.316 2.332 27 2HG1 VAL 5 2HG1 VAL 5 -1.055 17.665 4.010 28 3HG1 VAL 5 3HG1 VAL 5 0.069 16.364 3.646 29 1HG2 VAL 5 1HG2 VAL 5 1.412 17.946 5.493 30 2HG2 VAL 5 2HG2 VAL 5 0.058 19.060 5.282 31 3HG2 VAL 5 3HG2 VAL 5 1.710 19.608 4.973 32 HA PRO 6 HA PRO 6 2.081 14.420 0.376 33 1HB PRO 6 2HB PRO 6 1.647 12.212 2.087 34 2HB PRO 6 1HB PRO 6 3.199 12.706 1.408 35 1HG PRO 6 2HG PRO 6 2.332 12.892 4.167 36 2HG PRO 6 1HG PRO 6 3.911 13.277 3.482 37 1HD PRO 6 2HD PRO 6 1.830 15.102 4.349 38 2HD PRO 6 1HD PRO 6 3.458 15.474 3.779 39 H ILE 7 H ILE 7 0.343 12.969 -0.324 40 HA ILE 7 HA ILE 7 -2.189 13.361 1.180 41 HB ILE 7 HB ILE 7 -1.661 14.059 -1.706 42 1HG1 ILE 7 2HG1 ILE 7 -3.143 15.420 0.546 43 2HG1 ILE 7 1HG1 ILE 7 -1.458 15.726 0.173 44 1HG2 ILE 7 1HG2 ILE 7 -4.226 14.312 -1.760 45 2HG2 ILE 7 2HG2 ILE 7 -4.241 13.268 -0.339 46 3HG2 ILE 7 3HG2 ILE 7 -3.595 12.669 -1.866 47 1HD1 ILE 7 1HD1 ILE 7 -3.276 17.318 -0.788 48 2HD1 ILE 7 2HD1 ILE 7 -3.578 16.017 -1.944 49 3HD1 ILE 7 3HD1 ILE 7 -1.985 16.772 -1.860 50 H CYS 8 H CYS 8 -3.016 11.470 1.577 51 HA CYS 8 HA CYS 8 -2.027 9.046 0.567 52 1HB CYS 8 2HB CYS 8 -3.218 9.093 2.657 53 2HB CYS 8 1HB CYS 8 -4.672 9.687 1.869 54 H GLY 9 H GLY 9 -2.146 8.340 -1.445 55 1HA GLY 9 2HA GLY 9 -3.902 9.365 -3.426 56 2HA GLY 9 1HA GLY 9 -2.983 7.870 -3.583 57 H ALA 10 H ALA 10 -4.622 7.473 -0.807 58 HA ALA 10 HA ALA 10 -6.633 5.774 -2.110 59 1HB ALA 10 1HB ALA 10 -6.580 6.176 0.854 60 2HB ALA 10 2HB ALA 10 -5.200 5.373 0.111 61 3HB ALA 10 3HB ALA 10 -6.815 4.695 -0.073 62 H CYS 11 H CYS 11 -6.762 8.289 0.418 63 HA CYS 11 HA CYS 11 -9.585 8.830 -0.370 64 1HB CYS 11 2HB CYS 11 -9.394 10.319 1.784 65 2HB CYS 11 1HB CYS 11 -9.516 8.569 1.957 66 H ARG 12 H ARG 12 -6.542 9.918 -1.132 67 HA ARG 12 HA ARG 12 -5.754 11.893 -2.107 68 1HB ARG 12 2HB ARG 12 -8.655 12.677 -2.453 69 2HB ARG 12 1HB ARG 12 -7.281 13.097 -3.476 70 1HG ARG 12 2HG ARG 12 -8.462 10.325 -3.124 71 2HG ARG 12 1HG ARG 12 -8.613 11.345 -4.554 72 1HD ARG 12 2HD ARG 12 -6.022 11.366 -4.567 73 2HD ARG 12 1HD ARG 12 -6.149 9.987 -3.473 74 HE ARG 12 HE ARG 12 -7.810 9.307 -5.581 75 1HH1 ARG 12 1HH2 ARG 12 -4.548 10.358 -5.205 76 2HH1 ARG 12 2HH2 ARG 12 -3.971 9.497 -6.594 77 1HH2 ARG 12 1HH1 ARG 12 -7.075 8.178 -7.396 78 2HH2 ARG 12 2HH1 ARG 12 -5.402 8.263 -7.833 79 H ARG 13 H ARG 13 -6.081 11.826 0.721 80 HA ARG 13 HA ARG 13 -6.843 14.661 1.284 81 1HB ARG 13 2HB ARG 13 -7.003 12.187 3.018 82 2HB ARG 13 1HB ARG 13 -7.110 13.815 3.684 83 1HG ARG 13 2HG ARG 13 -8.918 12.739 1.501 84 2HG ARG 13 1HG ARG 13 -9.346 12.800 3.207 85 1HD ARG 13 2HD ARG 13 -8.627 15.363 2.909 86 2HD ARG 13 1HD ARG 13 -9.095 15.031 1.241 87 HE ARG 13 HE ARG 13 -11.206 14.033 2.730 88 1HH1 ARG 13 1HH2 ARG 13 -9.479 17.010 2.517 89 2HH1 ARG 13 2HH2 ARG 13 -10.844 17.985 2.947 90 1HH2 ARG 13 1HH1 ARG 13 -12.998 15.289 3.293 91 2HH2 ARG 13 2HH1 ARG 13 -12.836 17.011 3.386 92 HA PRO 14 HA PRO 14 -2.637 15.384 2.252 93 1HB PRO 14 2HB PRO 14 -3.206 17.002 4.574 94 2HB PRO 14 1HB PRO 14 -2.724 17.529 2.959 95 1HG PRO 14 2HG PRO 14 -5.293 17.816 4.145 96 2HG PRO 14 1HG PRO 14 -4.812 18.220 2.488 97 1HD PRO 14 2HD PRO 14 -6.461 15.996 3.384 98 2HD PRO 14 1HD PRO 14 -6.074 16.484 1.722 99 H ILE 15 H ILE 15 -1.510 13.687 3.076 100 HA ILE 15 HA ILE 15 -2.351 12.296 5.485 101 HB ILE 15 HB ILE 15 0.292 12.191 3.987 102 1HG1 ILE 15 2HG1 ILE 15 -1.741 10.005 3.975 103 2HG1 ILE 15 1HG1 ILE 15 -2.080 11.433 3.003 104 1HG2 ILE 15 1HG2 ILE 15 -0.837 10.671 6.325 105 2HG2 ILE 15 2HG2 ILE 15 0.792 11.304 6.106 106 3HG2 ILE 15 3HG2 ILE 15 0.272 9.872 5.212 107 1HD1 ILE 15 1HD1 ILE 15 -0.289 11.063 1.583 108 2HD1 ILE 15 2HD1 ILE 15 -0.686 9.398 2.004 109 3HD1 ILE 15 3HD1 ILE 15 0.650 10.220 2.811 110 H GLU 16 H GLU 16 -0.981 12.215 7.512 111 HA GLU 16 HA GLU 16 0.959 14.322 7.966 112 1HB GLU 16 2HB GLU 16 -0.541 15.554 9.654 113 2HB GLU 16 1HB GLU 16 -0.845 15.861 7.944 114 1HG GLU 16 2HG GLU 16 -2.728 14.379 7.920 115 2HG GLU 16 1HG GLU 16 -2.327 13.742 9.516 116 H GLY 17 H GLY 17 1.701 12.074 8.654 117 1HA GLY 17 2HA GLY 17 2.176 11.896 11.363 118 2HA GLY 17 1HA GLY 17 0.661 11.015 11.164 119 H ARG 18 H ARG 18 0.873 9.687 8.929 120 HA ARG 18 HA ARG 18 3.485 8.267 8.869 121 1HB ARG 18 2HB ARG 18 0.944 7.226 9.885 122 2HB ARG 18 1HB ARG 18 1.578 6.249 8.569 123 1HG ARG 18 2HG ARG 18 3.716 6.006 9.716 124 2HG ARG 18 1HG ARG 18 3.178 7.074 11.006 125 1HD ARG 18 2HD ARG 18 2.087 4.344 10.307 126 2HD ARG 18 1HD ARG 18 2.917 4.803 11.788 127 HE ARG 18 HE ARG 18 0.114 4.984 11.333 128 1HH1 ARG 18 1HH2 ARG 18 2.709 6.952 12.486 129 2HH1 ARG 18 2HH2 ARG 18 1.666 8.043 13.331 130 1HH2 ARG 18 1HH1 ARG 18 -1.241 6.388 12.438 131 2HH2 ARG 18 2HH1 ARG 18 -0.563 7.723 13.309 132 H VAL 19 H VAL 19 4.084 7.943 6.760 133 HA VAL 19 HA VAL 19 1.931 8.072 4.675 134 HB VAL 19 HB VAL 19 4.738 9.203 4.459 135 1HG1 VAL 19 1HG1 VAL 19 2.588 8.634 2.520 136 2HG1 VAL 19 2HG1 VAL 19 4.296 8.964 2.233 137 3HG1 VAL 19 3HG1 VAL 19 3.163 10.300 2.460 138 1HG2 VAL 19 1HG2 VAL 19 3.847 11.339 4.797 139 2HG2 VAL 19 2HG2 VAL 19 2.922 10.382 5.954 140 3HG2 VAL 19 3HG2 VAL 19 2.211 10.820 4.403 141 H VAL 20 H VAL 20 2.315 6.858 2.779 142 HA VAL 20 HA VAL 20 4.530 4.855 2.946 143 HB VAL 20 HB VAL 20 1.604 4.432 2.355 144 1HG1 VAL 20 1HG1 VAL 20 3.981 2.985 1.229 145 2HG1 VAL 20 2HG1 VAL 20 2.434 3.356 0.465 146 3HG1 VAL 20 3HG1 VAL 20 2.541 2.054 1.648 147 1HG2 VAL 20 1HG2 VAL 20 3.656 2.924 3.997 148 2HG2 VAL 20 2HG2 VAL 20 1.945 2.514 3.869 149 3HG2 VAL 20 3HG2 VAL 20 2.436 4.025 4.629 150 H ASN 21 H ASN 21 5.835 5.278 1.224 151 HA ASN 21 HA ASN 21 4.728 6.740 -1.075 152 1HB ASN 21 2HB ASN 21 7.500 5.841 -0.317 153 2HB ASN 21 1HB ASN 21 7.150 6.586 -1.872 154 1HD2 ASN 21 1HD2 ASN 21 5.683 7.400 1.297 155 2HD2 ASN 21 2HD2 ASN 21 6.249 9.000 1.323 156 H ALA 22 H ALA 22 3.559 5.457 -2.423 157 HA ALA 22 HA ALA 22 4.951 3.145 -3.656 158 1HB ALA 22 1HB ALA 22 2.113 2.906 -2.637 159 2HB ALA 22 2HB ALA 22 3.505 2.343 -1.709 160 3HB ALA 22 3HB ALA 22 3.139 1.622 -3.278 161 H MET 23 H MET 23 3.873 2.512 -5.709 162 HA MET 23 HA MET 23 2.911 3.111 -7.763 163 1HB MET 23 2HB MET 23 1.001 4.814 -6.159 164 2HB MET 23 1HB MET 23 0.700 4.002 -7.692 165 1HG MET 23 2HG MET 23 1.350 2.447 -5.183 166 2HG MET 23 1HG MET 23 -0.299 2.917 -5.582 167 1HE MET 23 1HE MET 23 1.329 -0.896 -6.573 168 2HE MET 23 2HE MET 23 0.329 -0.210 -5.291 169 3HE MET 23 3HE MET 23 1.994 0.331 -5.484 170 H GLY 24 H GLY 24 4.817 4.861 -6.164 171 1HA GLY 24 2HA GLY 24 6.007 6.843 -6.641 172 2HA GLY 24 1HA GLY 24 5.027 6.992 -8.102 173 H LYS 25 H LYS 25 3.418 6.538 -5.113 174 HA LYS 25 HA LYS 25 2.694 9.442 -4.974 175 1HB LYS 25 2HB LYS 25 0.868 7.038 -4.667 176 2HB LYS 25 1HB LYS 25 0.386 8.710 -4.415 177 1HG LYS 25 2HG LYS 25 1.635 8.646 -6.959 178 2HG LYS 25 1HG LYS 25 0.578 7.236 -6.901 179 1HD LYS 25 2HD LYS 25 -1.277 8.739 -6.114 180 2HD LYS 25 1HD LYS 25 -0.210 10.117 -6.388 181 1HE LYS 25 2HE LYS 25 -0.898 8.088 -8.528 182 2HE LYS 25 1HE LYS 25 -1.767 9.607 -8.312 183 1HZ LYS 25 1HZ LYS 25 0.801 9.128 -9.487 184 2HZ LYS 25 2HZ LYS 25 0.846 10.349 -8.306 185 3HZ LYS 25 3HZ LYS 25 -0.217 10.478 -9.625 186 H GLN 26 H GLN 26 0.927 9.018 -2.792 187 HA GLN 26 HA GLN 26 2.694 8.001 -0.606 188 1HB GLN 26 2HB GLN 26 1.347 10.693 -0.878 189 2HB GLN 26 1HB GLN 26 1.771 10.046 0.701 190 1HG GLN 26 2HG GLN 26 4.015 10.377 0.378 191 2HG GLN 26 1HG GLN 26 3.943 9.863 -1.302 192 1HE2 GLN 26 1HE2 GLN 26 1.582 12.245 -0.855 193 2HE2 GLN 26 2HE2 GLN 26 2.482 13.588 -1.363 194 H TRP 27 H TRP 27 1.434 6.974 1.071 195 HA TRP 27 HA TRP 27 -1.533 7.122 0.757 196 1HB TRP 27 2HB TRP 27 0.017 4.531 0.937 197 2HB TRP 27 1HB TRP 27 -1.725 4.703 0.747 198 HD1 TRP 27 HD TRP 27 1.565 5.317 -1.151 199 HE1 TRP 27 1HE TRP 27 1.046 5.381 -3.676 200 HE3 TRP 27 3HE TRP 27 -3.502 5.022 -0.988 201 HZ2 TRP 27 2HZ TRP 27 -1.248 5.314 -5.398 202 HZ3 TRP 27 3HZ TRP 27 -4.844 5.023 -3.058 203 HH2 TRP 27 HH TRP 27 -3.727 5.169 -5.271 204 H HIS 28 H HIS 28 -2.643 6.947 2.740 205 HA HIS 28 HA HIS 28 -1.189 7.339 5.173 206 1HB HIS 28 2HB HIS 28 -3.979 6.301 4.613 207 2HB HIS 28 1HB HIS 28 -3.343 6.346 6.252 208 HD2 HIS 28 2HD HIS 28 -2.365 9.138 6.905 209 HE1 HIS 28 1HE HIS 28 -5.329 10.837 4.424 210 HE2 HIS 28 2HE HIS 28 -3.646 11.322 6.264 211 H VAL 29 H VAL 29 -0.337 5.772 6.619 212 HA VAL 29 HA VAL 29 0.445 3.259 5.566 213 HB VAL 29 HB VAL 29 0.347 4.417 8.342 214 1HG1 VAL 29 1HG1 VAL 29 -0.056 2.167 8.879 215 2HG1 VAL 29 2HG1 VAL 29 1.702 2.291 8.950 216 3HG1 VAL 29 3HG1 VAL 29 0.925 1.572 7.539 217 1HG2 VAL 29 1HG2 VAL 29 2.652 3.366 6.682 218 2HG2 VAL 29 2HG2 VAL 29 2.744 4.407 8.100 219 3HG2 VAL 29 3HG2 VAL 29 2.084 5.035 6.586 220 H GLU 30 H GLU 30 -2.521 4.282 6.982 221 HA GLU 30 HA GLU 30 -3.372 1.508 7.519 222 1HB GLU 30 2HB GLU 30 -5.496 2.695 8.320 223 2HB GLU 30 1HB GLU 30 -4.028 3.000 9.250 224 1HG GLU 30 2HG GLU 30 -3.699 5.128 8.207 225 2HG GLU 30 1HG GLU 30 -4.925 4.792 6.984 226 H HIS 31 H HIS 31 -3.519 3.798 4.976 227 HA HIS 31 HA HIS 31 -5.943 2.464 3.833 228 1HB HIS 31 2HB HIS 31 -4.586 5.063 3.050 229 2HB HIS 31 1HB HIS 31 -5.976 4.368 2.225 230 HD2 HIS 31 2HD HIS 31 -7.295 3.460 5.340 231 HE1 HIS 31 1HE HIS 31 -7.817 7.639 5.579 232 HE2 HIS 31 2HE HIS 31 -8.520 5.409 6.561 233 H PHE 32 H PHE 32 -2.577 2.381 3.642 234 HA PHE 32 HA PHE 32 -2.502 1.732 0.777 235 1HB PHE 32 2HB PHE 32 -0.511 2.730 2.066 236 2HB PHE 32 1HB PHE 32 -0.315 1.131 2.786 237 HD1 PHE 32 1HD PHE 32 1.242 -0.244 1.722 238 HD2 PHE 32 2HD PHE 32 -1.035 2.530 -0.637 239 HE1 PHE 32 1HE PHE 32 2.357 -1.067 -0.331 240 HE2 PHE 32 2HE PHE 32 0.084 1.710 -2.681 241 HZ PHE 32 HZ PHE 32 1.784 -0.088 -2.532 242 H VAL 33 H VAL 33 -3.653 -0.060 0.348 243 HA VAL 33 HA VAL 33 -3.131 -2.484 2.018 244 HB VAL 33 HB VAL 33 -5.450 -3.121 1.614 245 1HG1 VAL 33 1HG1 VAL 33 -5.781 -1.949 3.517 246 2HG1 VAL 33 2HG1 VAL 33 -6.358 -0.633 2.502 247 3HG1 VAL 33 3HG1 VAL 33 -4.672 -0.669 3.015 248 1HG2 VAL 33 1HG2 VAL 33 -5.779 -2.185 -0.592 249 2HG2 VAL 33 2HG2 VAL 33 -5.504 -0.549 0.012 250 3HG2 VAL 33 3HG2 VAL 33 -6.956 -1.431 0.486 251 H CYS 34 H CYS 34 -4.000 -4.445 0.820 252 HA CYS 34 HA CYS 34 -2.455 -4.852 -1.572 253 1HB CYS 34 2HB CYS 34 -2.791 -6.739 -0.249 254 2HB CYS 34 1HB CYS 34 -4.499 -6.410 -0.016 255 H ALA 35 H ALA 35 -3.210 -5.148 -3.714 256 HA ALA 35 HA ALA 35 -5.700 -3.671 -4.323 257 1HB ALA 35 1HB ALA 35 -3.391 -3.377 -5.479 258 2HB ALA 35 2HB ALA 35 -4.833 -3.433 -6.499 259 3HB ALA 35 3HB ALA 35 -3.808 -4.858 -6.342 260 H LYS 36 H LYS 36 -5.641 -6.460 -3.174 261 HA LYS 36 HA LYS 36 -7.351 -7.743 -5.267 262 1HB LYS 36 2HB LYS 36 -5.117 -8.865 -5.189 263 2HB LYS 36 1HB LYS 36 -5.373 -9.204 -3.484 264 1HG LYS 36 2HG LYS 36 -5.953 -11.152 -4.874 265 2HG LYS 36 1HG LYS 36 -7.369 -10.525 -4.035 266 1HD LYS 36 2HD LYS 36 -8.339 -9.720 -5.980 267 2HD LYS 36 1HD LYS 36 -6.785 -9.443 -6.765 268 1HE LYS 36 2HE LYS 36 -7.659 -12.254 -6.150 269 2HE LYS 36 1HE LYS 36 -8.292 -11.431 -7.575 270 1HZ LYS 36 1HZ LYS 36 -5.520 -12.190 -6.949 271 2HZ LYS 36 2HZ LYS 36 -5.817 -10.873 -7.982 272 3HZ LYS 36 3HZ LYS 36 -6.397 -12.419 -8.381 273 H CYS 37 H CYS 37 -6.606 -7.241 -1.871 274 HA CYS 37 HA CYS 37 -9.336 -8.276 -1.197 275 1HB CYS 37 2HB CYS 37 -8.441 -9.326 0.798 276 2HB CYS 37 1HB CYS 37 -7.506 -9.882 -0.587 277 H GLU 38 H GLU 38 -6.969 -5.798 -0.873 278 HA GLU 38 HA GLU 38 -7.127 -3.711 0.119 279 1HB GLU 38 2HB GLU 38 -9.852 -4.421 1.192 280 2HB GLU 38 1HB GLU 38 -9.224 -2.838 0.746 281 1HG GLU 38 2HG GLU 38 -10.291 -3.142 -1.234 282 2HG GLU 38 1HG GLU 38 -8.989 -4.264 -1.624 283 H LYS 39 H LYS 39 -5.768 -5.661 1.475 284 HA LYS 39 HA LYS 39 -6.623 -5.380 4.313 285 1HB LYS 39 2HB LYS 39 -4.907 -7.315 2.821 286 2HB LYS 39 1HB LYS 39 -4.481 -6.985 4.498 287 1HG LYS 39 2HG LYS 39 -7.129 -7.343 4.828 288 2HG LYS 39 1HG LYS 39 -6.905 -8.330 3.388 289 1HD LYS 39 2HD LYS 39 -5.328 -8.588 5.960 290 2HD LYS 39 1HD LYS 39 -6.627 -9.665 5.446 291 1HE LYS 39 2HE LYS 39 -5.256 -10.054 3.314 292 2HE LYS 39 1HE LYS 39 -3.920 -9.272 4.160 293 1HZ LYS 39 1HZ LYS 39 -4.030 -10.911 5.877 294 2HZ LYS 39 2HZ LYS 39 -3.937 -11.715 4.383 295 3HZ LYS 39 3HZ LYS 39 -5.421 -11.611 5.204 296 HA PRO 40 HA PRO 40 -3.560 -2.102 4.147 297 1HB PRO 40 2HB PRO 40 -4.077 -1.232 6.746 298 2HB PRO 40 1HB PRO 40 -4.875 -0.636 5.300 299 1HG PRO 40 2HG PRO 40 -5.943 -2.387 7.387 300 2HG PRO 40 1HG PRO 40 -6.821 -1.495 6.146 301 1HD PRO 40 2HD PRO 40 -6.285 -4.302 6.201 302 2HD PRO 40 1HD PRO 40 -7.012 -3.394 4.864 303 H PHE 41 H PHE 41 -1.484 -2.184 4.661 304 HA PHE 41 HA PHE 41 -0.583 -4.219 6.635 305 1HB PHE 41 2HB PHE 41 1.362 -2.565 5.089 306 2HB PHE 41 1HB PHE 41 1.421 -4.278 5.494 307 HD1 PHE 41 1HD PHE 41 -0.245 -5.842 4.363 308 HD2 PHE 41 2HD PHE 41 0.544 -1.862 2.995 309 HE1 PHE 41 1HE PHE 41 -1.168 -6.429 2.134 310 HE2 PHE 41 2HE PHE 41 -0.375 -2.436 0.763 311 HZ PHE 41 HZ PHE 41 -1.221 -4.725 0.330 312 H LEU 42 H LEU 42 -1.716 -2.429 8.076 313 HA LEU 42 HA LEU 42 -0.680 0.022 8.758 314 1HB LEU 42 2HB LEU 42 -1.694 -2.238 10.469 315 2HB LEU 42 1HB LEU 42 -1.095 -0.768 11.228 316 HG LEU 42 HG LEU 42 -2.688 0.402 9.429 317 1HD1 LEU 42 1HD1 LEU 42 -4.217 -2.140 9.951 318 2HD1 LEU 42 2HD1 LEU 42 -3.211 -1.956 8.517 319 3HD1 LEU 42 3HD1 LEU 42 -4.567 -0.859 8.790 320 1HD2 LEU 42 1HD2 LEU 42 -3.055 0.776 11.755 321 2HD2 LEU 42 2HD2 LEU 42 -3.537 -0.901 12.018 322 3HD2 LEU 42 3HD2 LEU 42 -4.587 0.187 11.106 323 H GLY 43 H GLY 43 0.547 -3.040 10.096 324 1HA GLY 43 2HA GLY 43 3.226 -1.730 10.376 325 2HA GLY 43 1HA GLY 43 2.574 -2.779 11.634 326 H HIS 44 H HIS 44 1.934 -3.561 8.315 327 HA HIS 44 HA HIS 44 3.864 -5.849 8.542 328 1HB HIS 44 2HB HIS 44 1.108 -5.626 7.352 329 2HB HIS 44 1HB HIS 44 2.229 -6.846 6.750 330 HD1 HIS 44 1HD HIS 44 1.279 -8.942 7.799 331 HD2 HIS 44 2HD HIS 44 1.806 -5.879 10.575 332 HE1 HIS 44 1HE HIS 44 0.833 -9.956 10.076 333 H ARG 45 H ARG 45 4.568 -6.671 6.339 334 HA ARG 45 HA ARG 45 5.595 -4.402 4.774 335 1HB ARG 45 2HB ARG 45 7.230 -6.062 5.045 336 2HB ARG 45 1HB ARG 45 6.073 -7.373 4.835 337 1HG ARG 45 2HG ARG 45 5.957 -7.030 2.476 338 2HG ARG 45 1HG ARG 45 6.780 -5.474 2.590 339 1HD ARG 45 2HD ARG 45 8.085 -7.706 1.888 340 2HD ARG 45 1HD ARG 45 8.865 -6.438 2.834 341 HE ARG 45 HE ARG 45 7.724 -8.080 4.750 342 1HH1 ARG 45 1HH2 ARG 45 9.806 -8.481 2.032 343 2HH1 ARG 45 2HH2 ARG 45 10.654 -9.829 2.712 344 1HH2 ARG 45 1HH1 ARG 45 8.819 -9.838 5.655 345 2HH2 ARG 45 2HH1 ARG 45 10.096 -10.597 4.763 346 H HIS 46 H HIS 46 5.273 -4.265 2.418 347 HA HIS 46 HA HIS 46 2.718 -5.562 1.534 348 1HB HIS 46 2HB HIS 46 2.509 -3.529 0.008 349 2HB HIS 46 1HB HIS 46 2.222 -3.258 1.715 350 HD1 HIS 46 1HD HIS 46 4.253 -2.165 3.093 351 HD2 HIS 46 2HD HIS 46 4.657 -2.103 -1.057 352 HE1 HIS 46 1HE HIS 46 6.098 -0.508 2.578 353 H TYR 47 H TYR 47 2.555 -5.584 -0.889 354 HA TYR 47 HA TYR 47 5.195 -6.030 -2.198 355 1HB TYR 47 2HB TYR 47 2.822 -7.882 -2.452 356 2HB TYR 47 1HB TYR 47 4.461 -8.168 -3.004 357 HD1 TYR 47 1HD TYR 47 5.988 -9.285 -1.587 358 HD2 TYR 47 2HD TYR 47 2.521 -7.406 0.113 359 HE1 TYR 47 1HE TYR 47 6.600 -10.145 0.658 360 HE2 TYR 47 2HE TYR 47 3.147 -8.266 2.344 361 HH TYR 47 HH TYR 47 6.236 -9.777 2.923 362 H GLU 48 H GLU 48 5.247 -5.207 -4.269 363 HA GLU 48 HA GLU 48 2.690 -4.032 -5.296 364 1HB GLU 48 2HB GLU 48 5.554 -3.174 -5.377 365 2HB GLU 48 1HB GLU 48 4.503 -2.695 -6.709 366 1HG GLU 48 2HG GLU 48 2.911 -1.717 -5.108 367 2HG GLU 48 1HG GLU 48 3.959 -2.190 -3.770 368 H ARG 49 H ARG 49 2.013 -4.434 -7.350 369 HA ARG 49 HA ARG 49 3.789 -5.939 -9.184 370 1HB ARG 49 2HB ARG 49 2.541 -7.691 -7.997 371 2HB ARG 49 1HB ARG 49 1.020 -6.906 -8.422 372 1HG ARG 49 2HG ARG 49 1.303 -7.310 -10.732 373 2HG ARG 49 1HG ARG 49 3.018 -7.666 -10.546 374 1HD ARG 49 2HD ARG 49 1.843 -9.568 -8.928 375 2HD ARG 49 1HD ARG 49 0.694 -9.440 -10.253 376 HE ARG 49 HE ARG 49 3.116 -10.840 -10.414 377 1HH1 ARG 49 1HH2 ARG 49 1.613 -8.197 -12.052 378 2HH1 ARG 49 2HH2 ARG 49 2.499 -8.441 -13.518 379 1HH2 ARG 49 1HH1 ARG 49 4.265 -11.168 -12.318 380 2HH2 ARG 49 2HH1 ARG 49 3.994 -10.120 -13.671 381 H LYS 50 H LYS 50 3.469 -5.371 -11.281 382 HA LYS 50 HA LYS 50 2.704 -4.075 -13.067 383 1HB LYS 50 2HB LYS 50 0.240 -5.300 -11.854 384 2HB LYS 50 1HB LYS 50 0.071 -4.163 -13.192 385 1HG LYS 50 2HG LYS 50 2.067 -6.391 -13.449 386 2HG LYS 50 1HG LYS 50 0.355 -6.763 -13.654 387 1HD LYS 50 2HD LYS 50 0.175 -5.002 -15.375 388 2HD LYS 50 1HD LYS 50 1.889 -4.637 -15.179 389 1HE LYS 50 2HE LYS 50 2.470 -6.925 -15.872 390 2HE LYS 50 1HE LYS 50 0.759 -7.317 -16.040 391 1HZ LYS 50 1HZ LYS 50 2.440 -6.139 -17.923 392 2HZ LYS 50 2HZ LYS 50 1.305 -4.960 -17.467 393 3HZ LYS 50 3HZ LYS 50 0.781 -6.462 -18.065 394 H GLY 51 H GLY 51 2.993 -2.853 -10.316 395 1HA GLY 51 2HA GLY 51 2.861 -0.569 -9.685 396 2HA GLY 51 1HA GLY 51 1.802 -0.290 -11.063 397 H LEU 52 H LEU 52 1.263 -2.854 -8.782 398 HA LEU 52 HA LEU 52 -0.907 -1.314 -7.463 399 1HB LEU 52 2HB LEU 52 -1.198 -3.859 -9.039 400 2HB LEU 52 1HB LEU 52 -2.290 -3.522 -7.700 401 HG LEU 52 HG LEU 52 -1.807 -1.707 -10.080 402 1HD1 LEU 52 1HD1 LEU 52 -3.052 -3.545 -10.883 403 2HD1 LEU 52 2HD1 LEU 52 -4.289 -2.358 -10.461 404 3HD1 LEU 52 3HD1 LEU 52 -3.952 -3.707 -9.374 405 1HD2 LEU 52 1HD2 LEU 52 -4.130 -0.878 -8.897 406 2HD2 LEU 52 2HD2 LEU 52 -2.553 -0.167 -8.559 407 3HD2 LEU 52 3HD2 LEU 52 -3.213 -1.396 -7.479 408 H ALA 53 H ALA 53 -1.252 -1.940 -5.343 409 HA ALA 53 HA ALA 53 0.902 -3.459 -4.116 410 1HB ALA 53 1HB ALA 53 -0.435 -3.052 -2.004 411 2HB ALA 53 2HB ALA 53 -1.625 -2.222 -3.015 412 3HB ALA 53 3HB ALA 53 0.019 -1.590 -2.888 413 H TYR 54 H TYR 54 0.707 -5.384 -2.916 414 HA TYR 54 HA TYR 54 -1.813 -6.880 -3.003 415 1HB TYR 54 2HB TYR 54 0.668 -7.727 -4.503 416 2HB TYR 54 1HB TYR 54 -0.561 -8.875 -3.991 417 HD1 TYR 54 1HD TYR 54 0.355 -6.369 -6.392 418 HD2 TYR 54 2HD TYR 54 -2.960 -8.519 -4.727 419 HE1 TYR 54 1HE TYR 54 -1.008 -5.753 -8.331 420 HE2 TYR 54 2HE TYR 54 -4.346 -7.877 -6.704 421 HH TYR 54 HH TYR 54 -4.427 -6.722 -8.589 422 H CYS 55 H CYS 55 -1.915 -8.225 -1.178 423 HA CYS 55 HA CYS 55 0.013 -7.881 0.868 424 1HB CYS 55 2HB CYS 55 -1.781 -10.311 0.469 425 2HB CYS 55 1HB CYS 55 -1.009 -9.832 1.977 426 H GLU 56 H GLU 56 1.261 -9.931 1.775 427 HA GLU 56 HA GLU 56 3.274 -10.710 -0.088 428 1HB GLU 56 2HB GLU 56 3.414 -10.805 2.462 429 2HB GLU 56 1HB GLU 56 2.467 -12.281 2.375 430 1HG GLU 56 2HG GLU 56 4.157 -13.445 1.209 431 2HG GLU 56 1HG GLU 56 4.997 -11.961 0.762 432 H THR 57 H THR 57 0.256 -12.236 0.891 433 HA THR 57 HA THR 57 0.825 -14.678 -0.624 434 HB THR 57 HB THR 57 -1.631 -13.782 0.894 435 HG1 THR 57 1HG THR 57 -0.116 -15.948 1.673 436 1HG2 THR 57 1HG2 THR 57 -2.382 -15.330 -0.758 437 2HG2 THR 57 2HG2 THR 57 -2.179 -16.273 0.720 438 3HG2 THR 57 3HG2 THR 57 -0.957 -16.349 -0.551 439 H HIS 58 H HIS 58 -1.470 -11.947 -0.950 440 HA HIS 58 HA HIS 58 -2.673 -13.076 -3.285 441 1HB HIS 58 2HB HIS 58 -2.574 -10.225 -2.288 442 2HB HIS 58 1HB HIS 58 -3.555 -10.761 -3.648 443 HD2 HIS 58 2HD HIS 58 -4.632 -13.608 -2.311 444 HE1 HIS 58 1HE HIS 58 -6.204 -11.162 0.745 445 HE2 HIS 58 2HE HIS 58 -6.301 -13.463 -0.317 446 H TYR 59 H TYR 59 -0.038 -10.752 -2.788 447 HA TYR 59 HA TYR 59 0.510 -10.104 -5.461 448 1HB TYR 59 2HB TYR 59 1.779 -9.127 -3.625 449 2HB TYR 59 1HB TYR 59 2.361 -10.699 -3.126 450 HD1 TYR 59 1HD TYR 59 2.061 -9.545 -6.645 451 HD2 TYR 59 2HD TYR 59 4.712 -10.356 -3.364 452 HE1 TYR 59 1HE TYR 59 3.981 -9.336 -8.140 453 HE2 TYR 59 2HE TYR 59 6.653 -10.123 -4.884 454 HH TYR 59 HH TYR 59 6.442 -10.262 -8.153 455 H ASN 60 H ASN 60 1.824 -12.692 -3.470 456 HA ASN 60 HA ASN 60 3.064 -14.051 -5.633 457 1HB ASN 60 2HB ASN 60 2.271 -14.896 -2.851 458 2HB ASN 60 1HB ASN 60 2.986 -16.042 -3.984 459 1HD2 ASN 60 1HD2 ASN 60 3.649 -13.230 -1.975 460 2HD2 ASN 60 2HD2 ASN 60 5.325 -13.200 -2.242 461 H GLN 61 H GLN 61 -0.072 -14.532 -3.994 462 HA GLN 61 HA GLN 61 -0.925 -16.800 -5.475 463 1HB GLN 61 2HB GLN 61 -2.196 -15.524 -3.585 464 2HB GLN 61 1HB GLN 61 -2.801 -14.505 -4.892 465 1HG GLN 61 2HG GLN 61 -3.772 -16.418 -6.014 466 2HG GLN 61 1HG GLN 61 -3.039 -17.524 -4.853 467 1HE2 GLN 61 1HE2 GLN 61 -3.890 -17.482 -2.611 468 2HE2 GLN 61 2HE2 GLN 61 -5.437 -16.858 -2.296 469 H LEU 62 H LEU 62 -0.885 -13.393 -6.212 470 HA LEU 62 HA LEU 62 -2.127 -13.612 -8.815 471 1HB LEU 62 2HB LEU 62 -0.686 -11.513 -7.253 472 2HB LEU 62 1HB LEU 62 -0.724 -11.312 -8.996 473 HG LEU 62 HG LEU 62 -3.299 -11.800 -8.700 474 1HD1 LEU 62 1HD1 LEU 62 -2.537 -10.696 -5.987 475 2HD1 LEU 62 2HD1 LEU 62 -3.125 -12.335 -6.284 476 3HD1 LEU 62 3HD1 LEU 62 -4.177 -10.952 -6.578 477 1HD2 LEU 62 1HD2 LEU 62 -2.407 -9.709 -9.554 478 2HD2 LEU 62 2HD2 LEU 62 -1.945 -9.210 -7.927 479 3HD2 LEU 62 3HD2 LEU 62 -3.651 -9.355 -8.356 480 H PHE 63 H PHE 63 1.189 -13.531 -7.611 481 HA PHE 63 HA PHE 63 2.123 -14.845 -10.078 482 1HB PHE 63 2HB PHE 63 2.708 -12.011 -9.337 483 2HB PHE 63 1HB PHE 63 4.015 -12.954 -10.046 484 HD1 PHE 63 1HD PHE 63 0.612 -11.637 -10.572 485 HD2 PHE 63 2HD PHE 63 3.943 -13.660 -12.365 486 HE1 PHE 63 1HE PHE 63 -0.401 -11.309 -12.815 487 HE2 PHE 63 2HE PHE 63 2.937 -13.334 -14.610 488 HZ PHE 63 HZ PHE 63 0.764 -12.159 -14.835 489 H GLY 64 H GLY 64 4.057 -12.924 -7.882 490 1HA GLY 64 2HA GLY 64 5.363 -13.646 -6.009 491 2HA GLY 64 1HA GLY 64 4.896 -15.312 -6.351 492 H ASP 65 H ASP 65 6.118 -13.115 -8.803 493 HA ASP 65 HA ASP 65 7.995 -13.316 -10.202 494 1HB ASP 65 2HB ASP 65 9.016 -12.646 -7.960 495 2HB ASP 65 1HB ASP 65 9.384 -14.355 -7.722 496 H VAL 66 H VAL 66 6.229 -15.561 -10.193 497 HA VAL 66 HA VAL 66 7.998 -17.566 -11.320 498 HB VAL 66 HB VAL 66 8.284 -18.118 -8.942 499 1HG1 VAL 66 1HG1 VAL 66 5.301 -18.620 -8.864 500 2HG1 VAL 66 2HG1 VAL 66 6.025 -17.110 -8.307 501 3HG1 VAL 66 3HG1 VAL 66 6.436 -18.631 -7.513 502 1HG2 VAL 66 1HG2 VAL 66 7.756 -20.445 -9.097 503 2HG2 VAL 66 2HG2 VAL 66 8.040 -19.911 -10.754 504 3HG2 VAL 66 3HG2 VAL 66 6.392 -20.135 -10.170 Start of MODEL 10 1 1H GLY 1 1HT GLY 1 10.684 27.969 3.806 2 2H GLY 1 2HT GLY 1 10.702 26.276 3.955 3 3H GLY 1 3HT GLY 1 10.783 27.256 5.341 4 1HA GLY 1 2HA GLY 1 8.591 26.776 5.448 5 2HA GLY 1 1HA GLY 1 8.515 28.161 4.357 6 H SER 2 H SER 2 7.360 27.787 2.538 7 HA SER 2 HA SER 2 6.264 26.615 0.823 8 1HB SER 2 2HB SER 2 8.746 26.318 0.249 9 2HB SER 2 1HB SER 2 8.612 24.713 0.962 10 HG SER 2 HG SER 2 7.983 24.250 -1.010 11 H MET 3 H MET 3 4.461 25.733 1.849 12 HA MET 3 HA MET 3 4.525 23.549 3.688 13 1HB MET 3 2HB MET 3 2.597 25.220 3.108 14 2HB MET 3 1HB MET 3 2.185 24.050 1.855 15 1HG MET 3 2HG MET 3 2.342 22.297 3.793 16 2HG MET 3 1HG MET 3 2.161 23.701 4.843 17 1HE MET 3 1HE MET 3 -1.423 22.987 5.295 18 2HE MET 3 2HE MET 3 -0.005 23.860 5.872 19 3HE MET 3 3HE MET 3 0.081 22.117 5.623 20 H GLY 4 H GLY 4 2.357 22.096 2.006 21 1HA GLY 4 2HA GLY 4 2.961 20.892 -0.283 22 2HA GLY 4 1HA GLY 4 4.283 20.252 0.695 23 H VAL 5 H VAL 5 3.622 19.102 2.727 24 HA VAL 5 HA VAL 5 2.433 17.371 3.756 25 HB VAL 5 HB VAL 5 0.316 19.270 2.827 26 1HG1 VAL 5 1HG1 VAL 5 -0.905 17.327 2.332 27 2HG1 VAL 5 2HG1 VAL 5 -1.324 17.643 4.018 28 3HG1 VAL 5 3HG1 VAL 5 -0.141 16.404 3.629 29 1HG2 VAL 5 1HG2 VAL 5 -0.272 19.082 5.285 30 2HG2 VAL 5 2HG2 VAL 5 1.337 19.732 4.953 31 3HG2 VAL 5 3HG2 VAL 5 1.152 18.054 5.471 32 HA PRO 6 HA PRO 6 1.933 14.562 0.343 33 1HB PRO 6 2HB PRO 6 1.536 12.353 2.072 34 2HB PRO 6 1HB PRO 6 3.076 12.872 1.380 35 1HG PRO 6 2HG PRO 6 2.232 13.052 4.141 36 2HG PRO 6 1HG PRO 6 3.790 13.490 3.438 37 1HD PRO 6 2HD PRO 6 1.653 15.244 4.316 38 2HD PRO 6 1HD PRO 6 3.266 15.668 3.739 39 H ILE 7 H ILE 7 0.240 13.063 -0.365 40 HA ILE 7 HA ILE 7 -2.308 13.391 1.122 41 HB ILE 7 HB ILE 7 -1.773 14.131 -1.749 42 1HG1 ILE 7 2HG1 ILE 7 -3.323 15.417 0.501 43 2HG1 ILE 7 1HG1 ILE 7 -1.646 15.781 0.151 44 1HG2 ILE 7 1HG2 ILE 7 -3.657 12.696 -1.967 45 2HG2 ILE 7 2HG2 ILE 7 -4.350 14.311 -1.820 46 3HG2 ILE 7 3HG2 ILE 7 -4.335 13.227 -0.429 47 1HD1 ILE 7 1HD1 ILE 7 -2.180 16.844 -1.868 48 2HD1 ILE 7 2HD1 ILE 7 -3.512 17.323 -0.811 49 3HD1 ILE 7 3HD1 ILE 7 -3.741 16.031 -1.993 50 H CYS 8 H CYS 8 -3.093 11.481 1.503 51 HA CYS 8 HA CYS 8 -2.049 9.079 0.509 52 1HB CYS 8 2HB CYS 8 -3.281 9.054 2.556 53 2HB CYS 8 1HB CYS 8 -4.713 9.708 1.771 54 H GLY 9 H GLY 9 -2.136 8.308 -1.479 55 1HA GLY 9 2HA GLY 9 -3.845 9.327 -3.520 56 2HA GLY 9 1HA GLY 9 -2.896 7.849 -3.650 57 H ALA 10 H ALA 10 -4.636 7.459 -0.912 58 HA ALA 10 HA ALA 10 -6.558 5.700 -2.273 59 1HB ALA 10 1HB ALA 10 -6.627 6.147 0.684 60 2HB ALA 10 2HB ALA 10 -5.214 5.344 0.004 61 3HB ALA 10 3HB ALA 10 -6.816 4.650 -0.227 62 H CYS 11 H CYS 11 -6.859 8.214 0.240 63 HA CYS 11 HA CYS 11 -9.641 8.715 -0.702 64 1HB CYS 11 2HB CYS 11 -9.619 10.182 1.456 65 2HB CYS 11 1HB CYS 11 -9.663 8.427 1.633 66 H ARG 12 H ARG 12 -6.566 9.853 -1.258 67 HA ARG 12 HA ARG 12 -5.753 11.825 -2.206 68 1HB ARG 12 2HB ARG 12 -8.637 12.604 -2.678 69 2HB ARG 12 1HB ARG 12 -7.222 13.036 -3.634 70 1HG ARG 12 2HG ARG 12 -8.545 10.325 -3.410 71 2HG ARG 12 1HG ARG 12 -8.363 11.310 -4.855 72 1HD ARG 12 2HD ARG 12 -6.226 9.819 -3.335 73 2HD ARG 12 1HD ARG 12 -6.685 9.618 -5.022 74 HE ARG 12 HE ARG 12 -4.678 11.381 -4.057 75 1HH1 ARG 12 1HH2 ARG 12 -7.463 11.473 -6.099 76 2HH1 ARG 12 2HH2 ARG 12 -6.949 12.897 -6.939 77 1HH2 ARG 12 1HH1 ARG 12 -4.002 13.218 -5.152 78 2HH2 ARG 12 2HH1 ARG 12 -4.995 13.879 -6.408 79 H ARG 13 H ARG 13 -6.149 11.757 0.593 80 HA ARG 13 HA ARG 13 -6.986 14.573 1.146 81 1HB ARG 13 2HB ARG 13 -7.237 12.049 2.766 82 2HB ARG 13 1HB ARG 13 -7.150 13.609 3.583 83 1HG ARG 13 2HG ARG 13 -9.073 13.242 1.300 84 2HG ARG 13 1HG ARG 13 -9.493 12.628 2.895 85 1HD ARG 13 2HD ARG 13 -8.748 15.492 2.234 86 2HD ARG 13 1HD ARG 13 -10.360 14.902 2.632 87 HE ARG 13 HE ARG 13 -8.828 14.148 4.812 88 1HH1 ARG 13 1HH2 ARG 13 -9.432 17.056 3.062 89 2HH1 ARG 13 2HH2 ARG 13 -9.218 18.086 4.438 90 1HH2 ARG 13 1HH1 ARG 13 -8.545 15.475 6.619 91 2HH2 ARG 13 2HH1 ARG 13 -8.716 17.191 6.452 92 HA PRO 14 HA PRO 14 -2.822 15.405 2.218 93 1HB PRO 14 2HB PRO 14 -3.484 16.978 4.545 94 2HB PRO 14 1HB PRO 14 -2.996 17.541 2.944 95 1HG PRO 14 2HG PRO 14 -5.594 17.722 4.095 96 2HG PRO 14 1HG PRO 14 -5.099 18.177 2.457 97 1HD PRO 14 2HD PRO 14 -6.691 15.883 3.271 98 2HD PRO 14 1HD PRO 14 -6.278 16.414 1.629 99 H ILE 15 H ILE 15 -1.651 13.747 3.063 100 HA ILE 15 HA ILE 15 -2.525 12.293 5.421 101 HB ILE 15 HB ILE 15 0.147 12.288 3.975 102 1HG1 ILE 15 2HG1 ILE 15 -1.826 10.043 3.919 103 2HG1 ILE 15 1HG1 ILE 15 -2.176 11.470 2.948 104 1HG2 ILE 15 1HG2 ILE 15 -0.946 10.701 6.286 105 2HG2 ILE 15 2HG2 ILE 15 0.662 11.392 6.086 106 3HG2 ILE 15 3HG2 ILE 15 0.197 9.953 5.171 107 1HD1 ILE 15 1HD1 ILE 15 0.587 10.340 2.794 108 2HD1 ILE 15 2HD1 ILE 15 -0.370 11.135 1.549 109 3HD1 ILE 15 3HD1 ILE 15 -0.708 9.459 1.980 110 H GLU 16 H GLU 16 -1.292 12.228 7.504 111 HA GLU 16 HA GLU 16 0.513 14.487 8.032 112 1HB GLU 16 2HB GLU 16 -1.107 15.269 9.933 113 2HB GLU 16 1HB GLU 16 -1.398 15.808 8.280 114 1HG GLU 16 2HG GLU 16 -3.470 14.985 9.396 115 2HG GLU 16 1HG GLU 16 -3.062 14.057 7.954 116 H GLY 17 H GLY 17 1.355 12.060 8.383 117 1HA GLY 17 2HA GLY 17 1.947 11.832 11.175 118 2HA GLY 17 1HA GLY 17 0.757 10.607 10.724 119 H ARG 18 H ARG 18 1.430 8.849 9.617 120 HA ARG 18 HA ARG 18 4.298 8.777 8.759 121 1HB ARG 18 2HB ARG 18 2.456 6.625 9.816 122 2HB ARG 18 1HB ARG 18 3.933 6.240 8.929 123 1HG ARG 18 2HG ARG 18 5.169 7.731 10.577 124 2HG ARG 18 1HG ARG 18 3.689 7.748 11.534 125 1HD ARG 18 2HD ARG 18 4.002 5.061 11.018 126 2HD ARG 18 1HD ARG 18 5.673 5.593 11.180 127 HE ARG 18 HE ARG 18 3.996 5.112 13.355 128 1HH1 ARG 18 1HH2 ARG 18 5.727 7.821 12.082 129 2HH1 ARG 18 2HH2 ARG 18 5.839 8.624 13.609 130 1HH2 ARG 18 1HH1 ARG 18 4.147 6.150 15.344 131 2HH2 ARG 18 2HH1 ARG 18 4.950 7.681 15.452 132 H VAL 19 H VAL 19 4.502 8.796 6.606 133 HA VAL 19 HA VAL 19 2.114 8.202 4.942 134 HB VAL 19 HB VAL 19 4.769 9.445 4.173 135 1HG1 VAL 19 1HG1 VAL 19 2.944 10.342 2.376 136 2HG1 VAL 19 2HG1 VAL 19 2.281 8.741 2.700 137 3HG1 VAL 19 3HG1 VAL 19 3.933 8.906 2.104 138 1HG2 VAL 19 1HG2 VAL 19 2.185 10.946 4.443 139 2HG2 VAL 19 2HG2 VAL 19 3.838 11.547 4.558 140 3HG2 VAL 19 3HG2 VAL 19 3.142 10.626 5.888 141 H VAL 20 H VAL 20 2.330 6.930 2.996 142 HA VAL 20 HA VAL 20 4.548 4.922 3.112 143 HB VAL 20 HB VAL 20 1.605 4.570 2.557 144 1HG1 VAL 20 1HG1 VAL 20 2.487 2.157 1.879 145 2HG1 VAL 20 2HG1 VAL 20 3.938 3.055 1.427 146 3HG1 VAL 20 3HG1 VAL 20 2.390 3.442 0.675 147 1HG2 VAL 20 1HG2 VAL 20 1.909 2.666 4.096 148 2HG2 VAL 20 2HG2 VAL 20 2.455 4.169 4.834 149 3HG2 VAL 20 3HG2 VAL 20 3.633 3.024 4.198 150 H ASN 21 H ASN 21 5.850 5.334 1.391 151 HA ASN 21 HA ASN 21 4.727 6.744 -0.941 152 1HB ASN 21 2HB ASN 21 7.525 5.946 -0.158 153 2HB ASN 21 1HB ASN 21 7.148 6.705 -1.701 154 1HD2 ASN 21 1HD2 ASN 21 5.341 7.536 1.219 155 2HD2 ASN 21 2HD2 ASN 21 5.976 9.101 1.385 156 H ALA 22 H ALA 22 3.642 5.408 -2.294 157 HA ALA 22 HA ALA 22 5.134 3.112 -3.442 158 1HB ALA 22 1HB ALA 22 3.225 1.615 -3.198 159 2HB ALA 22 2HB ALA 22 2.281 2.900 -2.441 160 3HB ALA 22 3HB ALA 22 3.679 2.223 -1.604 161 H MET 23 H MET 23 4.152 2.445 -5.542 162 HA MET 23 HA MET 23 3.279 3.030 -7.642 163 1HB MET 23 2HB MET 23 1.293 4.725 -6.122 164 2HB MET 23 1HB MET 23 1.063 3.919 -7.672 165 1HG MET 23 2HG MET 23 1.572 2.404 -5.098 166 2HG MET 23 1HG MET 23 -0.044 2.783 -5.686 167 1HE MET 23 1HE MET 23 0.374 -0.251 -5.309 168 2HE MET 23 2HE MET 23 2.071 0.204 -5.163 169 3HE MET 23 3HE MET 23 1.592 -1.020 -6.339 170 H GLY 24 H GLY 24 5.061 4.807 -5.910 171 1HA GLY 24 2HA GLY 24 6.280 6.788 -6.328 172 2HA GLY 24 1HA GLY 24 5.398 6.925 -7.852 173 H LYS 25 H LYS 25 3.590 6.477 -4.980 174 HA LYS 25 HA LYS 25 2.812 9.373 -4.942 175 1HB LYS 25 2HB LYS 25 1.061 6.914 -4.632 176 2HB LYS 25 1HB LYS 25 0.510 8.567 -4.398 177 1HG LYS 25 2HG LYS 25 1.830 8.508 -6.919 178 2HG LYS 25 1HG LYS 25 0.774 7.097 -6.866 179 1HD LYS 25 2HD LYS 25 -1.098 8.601 -6.129 180 2HD LYS 25 1HD LYS 25 -0.028 9.980 -6.386 181 1HE LYS 25 2HE LYS 25 -0.696 7.942 -8.527 182 2HE LYS 25 1HE LYS 25 -1.531 9.485 -8.343 183 1HZ LYS 25 1HZ LYS 25 1.294 9.822 -8.321 184 2HZ LYS 25 2HZ LYS 25 0.132 10.542 -9.329 185 3HZ LYS 25 3HZ LYS 25 0.792 9.030 -9.734 186 H GLN 26 H GLN 26 0.980 8.928 -2.797 187 HA GLN 26 HA GLN 26 2.706 8.071 -0.524 188 1HB GLN 26 2HB GLN 26 1.295 10.711 -0.959 189 2HB GLN 26 1HB GLN 26 1.686 10.148 0.659 190 1HG GLN 26 2HG GLN 26 3.947 10.477 0.375 191 2HG GLN 26 1HG GLN 26 3.907 9.976 -1.310 192 1HE2 GLN 26 1HE2 GLN 26 1.483 12.286 -0.907 193 2HE2 GLN 26 2HE2 GLN 26 2.357 13.659 -1.383 194 H TRP 27 H TRP 27 1.404 7.059 1.135 195 HA TRP 27 HA TRP 27 -1.551 7.126 0.694 196 1HB TRP 27 2HB TRP 27 0.077 4.596 1.013 197 2HB TRP 27 1HB TRP 27 -1.664 4.695 0.781 198 HD1 TRP 27 HD TRP 27 1.647 5.272 -1.069 199 HE1 TRP 27 1HE TRP 27 1.178 5.270 -3.607 200 HE3 TRP 27 3HE TRP 27 -3.427 5.022 -1.004 201 HZ2 TRP 27 2HZ TRP 27 -1.079 5.178 -5.373 202 HZ3 TRP 27 3HZ TRP 27 -4.723 4.977 -3.104 203 HH2 TRP 27 HH TRP 27 -3.558 5.056 -5.294 204 H HIS 28 H HIS 28 -2.751 6.971 2.621 205 HA HIS 28 HA HIS 28 -1.423 7.466 5.110 206 1HB HIS 28 2HB HIS 28 -4.164 6.369 4.444 207 2HB HIS 28 1HB HIS 28 -3.610 6.461 6.111 208 HD2 HIS 28 2HD HIS 28 -2.670 9.301 6.706 209 HE1 HIS 28 1HE HIS 28 -5.622 10.862 4.119 210 HE2 HIS 28 2HE HIS 28 -3.991 11.436 5.981 211 H VAL 29 H VAL 29 -0.590 5.986 6.613 212 HA VAL 29 HA VAL 29 0.314 3.471 5.701 213 HB VAL 29 HB VAL 29 -0.004 4.715 8.425 214 1HG1 VAL 29 1HG1 VAL 29 1.388 2.690 9.206 215 2HG1 VAL 29 2HG1 VAL 29 0.801 1.885 7.751 216 3HG1 VAL 29 3HG1 VAL 29 -0.343 2.440 8.975 217 1HG2 VAL 29 1HG2 VAL 29 1.804 5.305 6.682 218 2HG2 VAL 29 2HG2 VAL 29 2.476 3.708 7.029 219 3HG2 VAL 29 3HG2 VAL 29 2.351 4.907 8.310 220 H GLU 30 H GLU 30 -2.757 4.433 6.948 221 HA GLU 30 HA GLU 30 -3.544 1.648 7.518 222 1HB GLU 30 2HB GLU 30 -5.735 2.778 8.192 223 2HB GLU 30 1HB GLU 30 -4.321 3.176 9.170 224 1HG GLU 30 2HG GLU 30 -4.040 5.282 8.087 225 2HG GLU 30 1HG GLU 30 -5.165 4.851 6.799 226 H HIS 31 H HIS 31 -3.749 3.946 4.944 227 HA HIS 31 HA HIS 31 -6.044 2.463 3.737 228 1HB HIS 31 2HB HIS 31 -4.734 5.070 2.901 229 2HB HIS 31 1HB HIS 31 -6.093 4.313 2.079 230 HD2 HIS 31 2HD HIS 31 -7.459 3.474 5.183 231 HE1 HIS 31 1HE HIS 31 -8.053 7.647 5.309 232 HE2 HIS 31 2HE HIS 31 -8.741 5.432 6.330 233 H PHE 32 H PHE 32 -2.666 2.479 3.651 234 HA PHE 32 HA PHE 32 -2.480 1.751 0.813 235 1HB PHE 32 2HB PHE 32 -0.556 2.811 2.147 236 2HB PHE 32 1HB PHE 32 -0.360 1.232 2.911 237 HD1 PHE 32 1HD PHE 32 1.226 -0.175 1.930 238 HD2 PHE 32 2HD PHE 32 -0.955 2.570 -0.557 239 HE1 PHE 32 1HE PHE 32 2.431 -1.008 -0.069 240 HE2 PHE 32 2HE PHE 32 0.250 1.730 -2.543 241 HZ PHE 32 HZ PHE 32 1.946 -0.062 -2.302 242 H VAL 33 H VAL 33 -3.544 -0.087 0.355 243 HA VAL 33 HA VAL 33 -3.007 -2.473 2.070 244 HB VAL 33 HB VAL 33 -5.322 -3.152 1.703 245 1HG1 VAL 33 1HG1 VAL 33 -6.256 -0.678 2.602 246 2HG1 VAL 33 2HG1 VAL 33 -4.562 -0.685 3.086 247 3HG1 VAL 33 3HG1 VAL 33 -5.637 -1.981 3.611 248 1HG2 VAL 33 1HG2 VAL 33 -6.871 -1.479 0.598 249 2HG2 VAL 33 2HG2 VAL 33 -5.710 -2.234 -0.497 250 3HG2 VAL 33 3HG2 VAL 33 -5.435 -0.591 0.087 251 H CYS 34 H CYS 34 -3.869 -4.461 0.890 252 HA CYS 34 HA CYS 34 -2.345 -4.861 -1.512 253 1HB CYS 34 2HB CYS 34 -2.673 -6.762 -0.206 254 2HB CYS 34 1HB CYS 34 -4.376 -6.429 0.051 255 H ALA 35 H ALA 35 -3.107 -5.133 -3.657 256 HA ALA 35 HA ALA 35 -5.609 -3.671 -4.247 257 1HB ALA 35 1HB ALA 35 -4.765 -3.463 -6.450 258 2HB ALA 35 2HB ALA 35 -3.699 -4.854 -6.259 259 3HB ALA 35 3HB ALA 35 -3.329 -3.342 -5.428 260 H LYS 36 H LYS 36 -5.652 -6.381 -3.056 261 HA LYS 36 HA LYS 36 -7.322 -7.707 -5.143 262 1HB LYS 36 2HB LYS 36 -4.988 -8.724 -5.002 263 2HB LYS 36 1HB LYS 36 -5.400 -9.236 -3.375 264 1HG LYS 36 2HG LYS 36 -5.896 -11.090 -4.786 265 2HG LYS 36 1HG LYS 36 -7.443 -10.361 -4.376 266 1HD LYS 36 2HD LYS 36 -6.403 -9.078 -6.748 267 2HD LYS 36 1HD LYS 36 -6.377 -10.825 -6.979 268 1HE LYS 36 2HE LYS 36 -8.733 -10.992 -6.428 269 2HE LYS 36 1HE LYS 36 -8.794 -9.281 -6.005 270 1HZ LYS 36 1HZ LYS 36 -8.144 -8.776 -8.312 271 2HZ LYS 36 2HZ LYS 36 -9.639 -9.576 -8.209 272 3HZ LYS 36 3HZ LYS 36 -8.249 -10.426 -8.688 273 H CYS 37 H CYS 37 -6.508 -7.258 -1.746 274 HA CYS 37 HA CYS 37 -9.216 -8.334 -1.033 275 1HB CYS 37 2HB CYS 37 -8.248 -9.315 0.986 276 2HB CYS 37 1HB CYS 37 -7.389 -9.918 -0.430 277 H GLU 38 H GLU 38 -6.837 -5.853 -0.686 278 HA GLU 38 HA GLU 38 -7.031 -3.752 0.268 279 1HB GLU 38 2HB GLU 38 -9.728 -4.479 1.401 280 2HB GLU 38 1HB GLU 38 -9.125 -2.896 0.918 281 1HG GLU 38 2HG GLU 38 -8.927 -4.086 -1.463 282 2HG GLU 38 1HG GLU 38 -10.192 -5.114 -0.787 283 H LYS 39 H LYS 39 -5.634 -5.695 1.608 284 HA LYS 39 HA LYS 39 -6.440 -5.403 4.458 285 1HB LYS 39 2HB LYS 39 -5.766 -7.672 3.391 286 2HB LYS 39 1HB LYS 39 -4.118 -7.052 3.464 287 1HG LYS 39 2HG LYS 39 -5.762 -6.805 5.947 288 2HG LYS 39 1HG LYS 39 -5.234 -8.417 5.500 289 1HD LYS 39 2HD LYS 39 -2.895 -7.620 5.371 290 2HD LYS 39 1HD LYS 39 -3.430 -6.007 5.849 291 1HE LYS 39 2HE LYS 39 -3.628 -8.549 7.487 292 2HE LYS 39 1HE LYS 39 -2.622 -7.142 7.829 293 1HZ LYS 39 1HZ LYS 39 -5.033 -6.020 7.628 294 2HZ LYS 39 2HZ LYS 39 -4.358 -6.549 9.094 295 3HZ LYS 39 3HZ LYS 39 -5.459 -7.536 8.258 296 HA PRO 40 HA PRO 40 -3.384 -2.109 4.195 297 1HB PRO 40 2HB PRO 40 -3.852 -1.204 6.795 298 2HB PRO 40 1HB PRO 40 -4.672 -0.625 5.351 299 1HG PRO 40 2HG PRO 40 -5.714 -2.340 7.480 300 2HG PRO 40 1HG PRO 40 -6.607 -1.475 6.230 301 1HD PRO 40 2HD PRO 40 -6.060 -4.282 6.338 302 2HD PRO 40 1HD PRO 40 -6.816 -3.401 4.999 303 H PHE 41 H PHE 41 -1.292 -2.124 4.699 304 HA PHE 41 HA PHE 41 -0.331 -4.131 6.681 305 1HB PHE 41 2HB PHE 41 1.579 -2.450 5.123 306 2HB PHE 41 1HB PHE 41 1.673 -4.156 5.543 307 HD1 PHE 41 1HD PHE 41 0.012 -1.709 3.289 308 HD2 PHE 41 2HD PHE 41 0.794 -5.844 4.130 309 HE1 PHE 41 1HE PHE 41 -0.898 -2.335 1.064 310 HE2 PHE 41 2HE PHE 41 -0.112 -6.465 1.920 311 HZ PHE 41 HZ PHE 41 -0.954 -4.724 0.378 312 H LEU 42 H LEU 42 -1.524 -2.237 8.070 313 HA LEU 42 HA LEU 42 -0.422 0.188 8.722 314 1HB LEU 42 2HB LEU 42 -1.506 -2.008 10.477 315 2HB LEU 42 1HB LEU 42 -0.917 -0.511 11.186 316 HG LEU 42 HG LEU 42 -2.488 0.510 9.212 317 1HD1 LEU 42 1HD1 LEU 42 -4.420 -0.777 8.829 318 2HD1 LEU 42 2HD1 LEU 42 -4.060 -1.879 10.157 319 3HD1 LEU 42 3HD1 LEU 42 -3.103 -1.942 8.680 320 1HD2 LEU 42 1HD2 LEU 42 -2.739 1.223 11.483 321 2HD2 LEU 42 2HD2 LEU 42 -3.287 -0.376 11.990 322 3HD2 LEU 42 3HD2 LEU 42 -4.318 0.627 10.965 323 H GLY 43 H GLY 43 0.680 -2.880 10.155 324 1HA GLY 43 2HA GLY 43 3.386 -1.635 10.481 325 2HA GLY 43 1HA GLY 43 2.665 -2.620 11.750 326 H HIS 44 H HIS 44 2.131 -3.539 8.434 327 HA HIS 44 HA HIS 44 4.058 -5.812 8.841 328 1HB HIS 44 2HB HIS 44 1.772 -6.018 6.913 329 2HB HIS 44 1HB HIS 44 2.568 -7.285 7.846 330 HD1 HIS 44 1HD HIS 44 1.145 -8.125 9.706 331 HD2 HIS 44 2HD HIS 44 0.414 -4.106 8.902 332 HE1 HIS 44 1HE HIS 44 -0.664 -7.392 11.322 333 H ARG 45 H ARG 45 4.021 -6.801 6.261 334 HA ARG 45 HA ARG 45 5.424 -4.614 4.778 335 1HB ARG 45 2HB ARG 45 6.140 -6.925 3.485 336 2HB ARG 45 1HB ARG 45 7.070 -6.202 4.790 337 1HG ARG 45 2HG ARG 45 5.923 -7.606 6.431 338 2HG ARG 45 1HG ARG 45 4.889 -8.269 5.174 339 1HD ARG 45 2HD ARG 45 6.440 -9.813 4.643 340 2HD ARG 45 1HD ARG 45 7.642 -8.564 4.356 341 HE ARG 45 HE ARG 45 7.683 -10.357 6.525 342 1HH1 ARG 45 1HH2 ARG 45 7.665 -6.935 6.067 343 2HH1 ARG 45 2HH2 ARG 45 8.440 -6.603 7.577 344 1HH2 ARG 45 1HH1 ARG 45 8.694 -9.935 8.485 345 2HH2 ARG 45 2HH1 ARG 45 9.023 -8.298 8.944 346 H HIS 46 H HIS 46 5.071 -4.471 2.485 347 HA HIS 46 HA HIS 46 2.507 -5.734 1.580 348 1HB HIS 46 2HB HIS 46 2.386 -3.693 0.031 349 2HB HIS 46 1HB HIS 46 2.039 -3.422 1.732 350 HD1 HIS 46 1HD HIS 46 3.957 -2.281 3.172 351 HD2 HIS 46 2HD HIS 46 4.687 -2.406 -0.932 352 HE1 HIS 46 1HE HIS 46 5.878 -0.688 2.737 353 H TYR 47 H TYR 47 2.415 -5.738 -0.885 354 HA TYR 47 HA TYR 47 5.094 -6.234 -2.088 355 1HB TYR 47 2HB TYR 47 2.771 -8.129 -2.411 356 2HB TYR 47 1HB TYR 47 4.462 -8.422 -2.771 357 HD1 TYR 47 1HD TYR 47 5.940 -9.261 -1.079 358 HD2 TYR 47 2HD TYR 47 2.111 -7.664 0.034 359 HE1 TYR 47 1HE TYR 47 6.303 -9.971 1.269 360 HE2 TYR 47 2HE TYR 47 2.485 -8.380 2.366 361 HH TYR 47 HH TYR 47 3.832 -9.438 3.764 362 H GLU 48 H GLU 48 5.220 -5.398 -4.137 363 HA GLU 48 HA GLU 48 2.731 -4.200 -5.266 364 1HB GLU 48 2HB GLU 48 5.667 -3.608 -5.563 365 2HB GLU 48 1HB GLU 48 4.492 -2.971 -6.714 366 1HG GLU 48 2HG GLU 48 3.370 -1.718 -5.057 367 2HG GLU 48 1HG GLU 48 4.107 -2.631 -3.741 368 H ARG 49 H ARG 49 2.118 -4.472 -7.378 369 HA ARG 49 HA ARG 49 3.692 -6.152 -9.201 370 1HB ARG 49 2HB ARG 49 2.329 -7.748 -7.764 371 2HB ARG 49 1HB ARG 49 0.886 -7.044 -8.485 372 1HG ARG 49 2HG ARG 49 2.966 -7.845 -10.431 373 2HG ARG 49 1HG ARG 49 2.233 -9.182 -9.554 374 1HD ARG 49 2HD ARG 49 -0.006 -8.353 -10.181 375 2HD ARG 49 1HD ARG 49 0.736 -7.046 -11.089 376 HE ARG 49 HE ARG 49 0.225 -9.580 -12.145 377 1HH1 ARG 49 1HH2 ARG 49 3.000 -7.553 -11.724 378 2HH1 ARG 49 2HH2 ARG 49 3.905 -8.335 -12.974 379 1HH2 ARG 49 1HH1 ARG 49 1.398 -10.564 -13.783 380 2HH2 ARG 49 2HH1 ARG 49 3.003 -10.022 -14.137 381 H LYS 50 H LYS 50 3.512 -5.137 -11.124 382 HA LYS 50 HA LYS 50 2.629 -3.924 -12.906 383 1HB LYS 50 2HB LYS 50 0.064 -4.986 -11.697 384 2HB LYS 50 1HB LYS 50 0.096 -4.020 -13.167 385 1HG LYS 50 2HG LYS 50 1.919 -6.394 -12.966 386 2HG LYS 50 1HG LYS 50 0.207 -6.666 -13.298 387 1HD LYS 50 2HD LYS 50 1.509 -4.521 -14.895 388 2HD LYS 50 1HD LYS 50 2.026 -6.168 -15.252 389 1HE LYS 50 2HE LYS 50 -0.854 -5.219 -15.196 390 2HE LYS 50 1HE LYS 50 0.097 -5.493 -16.656 391 1HZ LYS 50 1HZ LYS 50 -0.820 -7.476 -14.666 392 2HZ LYS 50 2HZ LYS 50 0.453 -7.815 -15.738 393 3HZ LYS 50 3HZ LYS 50 -1.096 -7.455 -16.339 394 H GLY 51 H GLY 51 3.123 -2.658 -10.270 395 1HA GLY 51 2HA GLY 51 2.908 -0.423 -9.524 396 2HA GLY 51 1HA GLY 51 1.866 -0.123 -10.915 397 H LEU 52 H LEU 52 1.334 -2.721 -8.686 398 HA LEU 52 HA LEU 52 -0.871 -1.244 -7.360 399 1HB LEU 52 2HB LEU 52 -1.113 -3.753 -9.005 400 2HB LEU 52 1HB LEU 52 -2.240 -3.437 -7.692 401 HG LEU 52 HG LEU 52 -1.672 -1.538 -9.980 402 1HD1 LEU 52 1HD1 LEU 52 -2.807 -3.384 -10.931 403 2HD1 LEU 52 2HD1 LEU 52 -4.089 -2.225 -10.570 404 3HD1 LEU 52 3HD1 LEU 52 -3.820 -3.605 -9.502 405 1HD2 LEU 52 1HD2 LEU 52 -4.095 -0.851 -8.865 406 2HD2 LEU 52 2HD2 LEU 52 -2.557 -0.082 -8.466 407 3HD2 LEU 52 3HD2 LEU 52 -3.188 -1.371 -7.440 408 H ALA 53 H ALA 53 -1.185 -1.911 -5.254 409 HA ALA 53 HA ALA 53 0.961 -3.500 -4.103 410 1HB ALA 53 1HB ALA 53 0.156 -1.684 -2.769 411 2HB ALA 53 2HB ALA 53 -0.393 -3.158 -1.963 412 3HB ALA 53 3HB ALA 53 -1.518 -2.216 -2.950 413 H TYR 54 H TYR 54 0.712 -5.440 -2.908 414 HA TYR 54 HA TYR 54 -1.821 -6.899 -3.071 415 1HB TYR 54 2HB TYR 54 0.672 -7.745 -4.547 416 2HB TYR 54 1HB TYR 54 -0.559 -8.898 -4.050 417 HD1 TYR 54 1HD TYR 54 0.341 -6.315 -6.397 418 HD2 TYR 54 2HD TYR 54 -2.917 -8.607 -4.822 419 HE1 TYR 54 1HE TYR 54 -1.023 -5.685 -8.334 420 HE2 TYR 54 2HE TYR 54 -4.314 -7.951 -6.788 421 HH TYR 54 HH TYR 54 -4.321 -6.951 -8.778 422 H CYS 55 H CYS 55 -1.944 -8.380 -1.345 423 HA CYS 55 HA CYS 55 -0.077 -8.062 0.770 424 1HB CYS 55 2HB CYS 55 -2.000 -10.344 0.207 425 2HB CYS 55 1HB CYS 55 -1.097 -10.173 1.708 426 H GLU 56 H GLU 56 1.074 -10.165 1.678 427 HA GLU 56 HA GLU 56 3.182 -10.896 -0.103 428 1HB GLU 56 2HB GLU 56 3.128 -11.052 2.476 429 2HB GLU 56 1HB GLU 56 2.291 -12.578 2.246 430 1HG GLU 56 2HG GLU 56 4.134 -13.550 1.107 431 2HG GLU 56 1HG GLU 56 4.919 -11.989 0.877 432 H THR 57 H THR 57 0.160 -12.489 0.775 433 HA THR 57 HA THR 57 0.769 -14.853 -0.841 434 HB THR 57 HB THR 57 -1.689 -14.055 0.728 435 HG1 THR 57 1HG THR 57 0.432 -15.881 1.171 436 1HG2 THR 57 1HG2 THR 57 -2.222 -16.541 0.428 437 2HG2 THR 57 2HG2 THR 57 -1.019 -16.534 -0.862 438 3HG2 THR 57 3HG2 THR 57 -2.454 -15.516 -0.988 439 H HIS 58 H HIS 58 -1.541 -12.126 -1.060 440 HA HIS 58 HA HIS 58 -2.759 -13.173 -3.428 441 1HB HIS 58 2HB HIS 58 -2.625 -10.315 -2.436 442 2HB HIS 58 1HB HIS 58 -3.682 -10.897 -3.716 443 HD2 HIS 58 2HD HIS 58 -4.705 -13.684 -2.292 444 HE1 HIS 58 1HE HIS 58 -6.040 -11.211 0.855 445 HE2 HIS 58 2HE HIS 58 -6.242 -13.511 -0.195 446 H TYR 59 H TYR 59 -0.137 -10.838 -2.880 447 HA TYR 59 HA TYR 59 0.432 -10.116 -5.507 448 1HB TYR 59 2HB TYR 59 1.723 -9.238 -3.652 449 2HB TYR 59 1HB TYR 59 2.269 -10.837 -3.202 450 HD1 TYR 59 1HD TYR 59 2.006 -9.591 -6.690 451 HD2 TYR 59 2HD TYR 59 4.630 -10.510 -3.415 452 HE1 TYR 59 1HE TYR 59 3.942 -9.359 -8.169 453 HE2 TYR 59 2HE TYR 59 6.583 -10.263 -4.918 454 HH TYR 59 HH TYR 59 7.257 -9.965 -7.018 455 H ASN 60 H ASN 60 1.685 -12.815 -3.640 456 HA ASN 60 HA ASN 60 2.898 -14.095 -5.878 457 1HB ASN 60 2HB ASN 60 2.147 -15.054 -3.118 458 2HB ASN 60 1HB ASN 60 2.890 -16.125 -4.306 459 1HD2 ASN 60 1HD2 ASN 60 3.495 -13.473 -2.101 460 2HD2 ASN 60 2HD2 ASN 60 5.162 -13.349 -2.398 461 H GLN 61 H GLN 61 -0.194 -14.647 -4.173 462 HA GLN 61 HA GLN 61 -1.067 -16.856 -5.733 463 1HB GLN 61 2HB GLN 61 -2.283 -15.615 -3.744 464 2HB GLN 61 1HB GLN 61 -3.000 -14.651 -5.036 465 1HG GLN 61 2HG GLN 61 -4.516 -16.451 -4.681 466 2HG GLN 61 1HG GLN 61 -3.623 -16.875 -6.142 467 1HE2 GLN 61 1HE2 GLN 61 -1.402 -17.202 -3.704 468 2HE2 GLN 61 2HE2 GLN 61 -1.623 -18.844 -3.332 469 H LEU 62 H LEU 62 -0.913 -13.448 -6.347 470 HA LEU 62 HA LEU 62 -2.282 -13.570 -8.919 471 1HB LEU 62 2HB LEU 62 -0.834 -11.491 -7.316 472 2HB LEU 62 1HB LEU 62 -0.993 -11.224 -9.043 473 HG LEU 62 HG LEU 62 -3.550 -11.936 -8.447 474 1HD1 LEU 62 1HD1 LEU 62 -3.287 -12.106 -6.069 475 2HD1 LEU 62 2HD1 LEU 62 -4.132 -10.592 -6.384 476 3HD1 LEU 62 3HD1 LEU 62 -2.414 -10.573 -5.998 477 1HD2 LEU 62 1HD2 LEU 62 -2.984 -9.977 -9.716 478 2HD2 LEU 62 2HD2 LEU 62 -2.231 -9.222 -8.310 479 3HD2 LEU 62 3HD2 LEU 62 -3.982 -9.453 -8.360 480 H PHE 63 H PHE 63 1.051 -13.504 -7.749 481 HA PHE 63 HA PHE 63 1.973 -14.734 -10.236 482 1HB PHE 63 2HB PHE 63 2.506 -11.853 -9.575 483 2HB PHE 63 1HB PHE 63 3.709 -12.778 -10.470 484 HD1 PHE 63 1HD PHE 63 0.497 -11.119 -10.594 485 HD2 PHE 63 2HD PHE 63 3.039 -13.916 -12.631 486 HE1 PHE 63 1HE PHE 63 -0.868 -10.861 -12.657 487 HE2 PHE 63 2HE PHE 63 1.683 -13.655 -14.691 488 HZ PHE 63 HZ PHE 63 -0.271 -12.128 -14.704 489 H GLY 64 H GLY 64 3.772 -12.651 -8.018 490 1HA GLY 64 2HA GLY 64 5.190 -13.320 -6.203 491 2HA GLY 64 1HA GLY 64 4.906 -15.005 -6.636 492 H ASP 65 H ASP 65 5.467 -13.782 -9.521 493 HA ASP 65 HA ASP 65 7.313 -13.876 -10.971 494 1HB ASP 65 2HB ASP 65 8.874 -12.838 -8.593 495 2HB ASP 65 1HB ASP 65 9.233 -12.599 -10.303 496 H VAL 66 H VAL 66 6.856 -16.341 -10.245 497 HA VAL 66 HA VAL 66 8.991 -17.567 -8.690 498 HB VAL 66 HB VAL 66 7.993 -19.697 -9.447 499 1HG1 VAL 66 1HG1 VAL 66 5.674 -19.275 -8.571 500 2HG1 VAL 66 2HG1 VAL 66 6.023 -17.547 -8.616 501 3HG1 VAL 66 3HG1 VAL 66 6.946 -18.605 -7.549 502 1HG2 VAL 66 1HG2 VAL 66 6.362 -17.850 -11.216 503 2HG2 VAL 66 2HG2 VAL 66 5.935 -19.534 -10.909 504 3HG2 VAL 66 3HG2 VAL 66 7.442 -19.144 -11.737 Start of MODEL 11 1 1H GLY 1 1HT GLY 1 5.637 28.747 -2.677 2 2H GLY 1 2HT GLY 1 6.015 27.747 -1.357 3 3H GLY 1 3HT GLY 1 6.627 29.330 -1.430 4 1HA GLY 1 2HA GLY 1 4.722 30.276 -0.726 5 2HA GLY 1 1HA GLY 1 3.731 29.062 -1.538 6 H SER 2 H SER 2 6.417 28.238 0.581 7 HA SER 2 HA SER 2 6.433 26.932 2.534 8 1HB SER 2 2HB SER 2 5.527 29.153 3.359 9 2HB SER 2 1HB SER 2 3.910 28.474 3.191 10 HG SER 2 HG SER 2 5.483 26.737 4.481 11 H MET 3 H MET 3 5.906 24.958 1.375 12 HA MET 3 HA MET 3 3.245 23.897 2.148 13 1HB MET 3 2HB MET 3 4.297 23.487 -0.656 14 2HB MET 3 1HB MET 3 2.682 23.142 -0.036 15 1HG MET 3 2HG MET 3 2.379 25.601 0.369 16 2HG MET 3 1HG MET 3 3.927 25.877 -0.431 17 1HE MET 3 1HE MET 3 4.581 24.937 -2.482 18 2HE MET 3 2HE MET 3 3.908 26.403 -3.192 19 3HE MET 3 3HE MET 3 3.589 24.842 -3.944 20 H GLY 4 H GLY 4 3.294 21.656 2.529 21 1HA GLY 4 2HA GLY 4 5.344 19.886 1.635 22 2HA GLY 4 1HA GLY 4 5.780 20.483 3.237 23 H VAL 5 H VAL 5 3.231 18.784 1.442 24 HA VAL 5 HA VAL 5 2.686 17.160 3.835 25 HB VAL 5 HB VAL 5 0.790 19.199 2.744 26 1HG1 VAL 5 1HG1 VAL 5 -1.047 17.732 3.850 27 2HG1 VAL 5 2HG1 VAL 5 0.059 16.394 3.567 28 3HG1 VAL 5 3HG1 VAL 5 -0.545 17.342 2.203 29 1HG2 VAL 5 1HG2 VAL 5 1.355 17.971 5.455 30 2HG2 VAL 5 2HG2 VAL 5 0.036 19.107 5.162 31 3HG2 VAL 5 3HG2 VAL 5 1.712 19.618 4.927 32 HA PRO 6 HA PRO 6 2.169 14.376 0.395 33 1HB PRO 6 2HB PRO 6 1.656 12.180 2.097 34 2HB PRO 6 1HB PRO 6 3.236 12.658 1.472 35 1HG PRO 6 2HG PRO 6 2.278 12.857 4.198 36 2HG PRO 6 1HG PRO 6 3.881 13.235 3.566 37 1HD PRO 6 2HD PRO 6 1.769 15.069 4.349 38 2HD PRO 6 1HD PRO 6 3.425 15.433 3.857 39 H ILE 7 H ILE 7 0.444 12.933 -0.350 40 HA ILE 7 HA ILE 7 -2.139 13.369 1.054 41 HB ILE 7 HB ILE 7 -1.475 14.028 -1.811 42 1HG1 ILE 7 2HG1 ILE 7 -3.059 15.417 0.352 43 2HG1 ILE 7 1HG1 ILE 7 -1.357 15.713 0.057 44 1HG2 ILE 7 1HG2 ILE 7 -4.045 14.300 -1.967 45 2HG2 ILE 7 2HG2 ILE 7 -4.107 13.225 -0.568 46 3HG2 ILE 7 3HG2 ILE 7 -3.395 12.664 -2.082 47 1HD1 ILE 7 1HD1 ILE 7 -3.399 15.998 -2.140 48 2HD1 ILE 7 2HD1 ILE 7 -1.787 16.709 -2.036 49 3HD1 ILE 7 3HD1 ILE 7 -3.088 17.314 -1.006 50 H CYS 8 H CYS 8 -2.981 11.488 1.463 51 HA CYS 8 HA CYS 8 -1.989 9.043 0.476 52 1HB CYS 8 2HB CYS 8 -3.175 9.130 2.579 53 2HB CYS 8 1HB CYS 8 -4.637 9.681 1.775 54 H GLY 9 H GLY 9 -2.172 8.226 -1.479 55 1HA GLY 9 2HA GLY 9 -3.915 9.257 -3.483 56 2HA GLY 9 1HA GLY 9 -3.016 7.748 -3.613 57 H ALA 10 H ALA 10 -4.635 7.433 -0.816 58 HA ALA 10 HA ALA 10 -6.665 5.712 -2.049 59 1HB ALA 10 1HB ALA 10 -6.908 4.751 0.054 60 2HB ALA 10 2HB ALA 10 -6.549 6.258 0.899 61 3HB ALA 10 3HB ALA 10 -5.249 5.335 0.151 62 H CYS 11 H CYS 11 -6.624 8.578 0.057 63 HA CYS 11 HA CYS 11 -9.497 9.037 -0.668 64 1HB CYS 11 2HB CYS 11 -9.096 10.672 1.468 65 2HB CYS 11 1HB CYS 11 -9.667 9.017 1.625 66 H ARG 12 H ARG 12 -6.406 10.038 -1.380 67 HA ARG 12 HA ARG 12 -5.548 11.991 -2.349 68 1HB ARG 12 2HB ARG 12 -8.449 12.759 -2.807 69 2HB ARG 12 1HB ARG 12 -7.042 13.270 -3.737 70 1HG ARG 12 2HG ARG 12 -7.866 10.366 -3.521 71 2HG ARG 12 1HG ARG 12 -8.473 11.429 -4.788 72 1HD ARG 12 2HD ARG 12 -6.071 11.955 -5.377 73 2HD ARG 12 1HD ARG 12 -5.587 10.682 -4.256 74 HE ARG 12 HE ARG 12 -7.413 9.435 -5.925 75 1HH1 ARG 12 1HH2 ARG 12 -4.547 11.312 -6.308 76 2HH1 ARG 12 2HH2 ARG 12 -4.066 10.522 -7.772 77 1HH2 ARG 12 1HH1 ARG 12 -6.801 8.392 -7.834 78 2HH2 ARG 12 2HH1 ARG 12 -5.342 8.869 -8.636 79 H ARG 13 H ARG 13 -6.094 11.866 0.460 80 HA ARG 13 HA ARG 13 -6.831 14.694 1.078 81 1HB ARG 13 2HB ARG 13 -7.485 12.128 2.321 82 2HB ARG 13 1HB ARG 13 -6.778 13.247 3.483 83 1HG ARG 13 2HG ARG 13 -9.200 13.535 3.457 84 2HG ARG 13 1HG ARG 13 -8.439 14.969 2.784 85 1HD ARG 13 2HD ARG 13 -9.969 14.654 1.112 86 2HD ARG 13 1HD ARG 13 -8.769 13.512 0.515 87 HE ARG 13 HE ARG 13 -10.313 12.005 2.256 88 1HH1 ARG 13 1HH2 ARG 13 -10.871 14.065 -0.453 89 2HH1 ARG 13 2HH2 ARG 13 -12.280 13.209 -0.982 90 1HH2 ARG 13 1HH1 ARG 13 -12.151 10.875 1.579 91 2HH2 ARG 13 2HH1 ARG 13 -13.005 11.404 0.167 92 HA PRO 14 HA PRO 14 -2.595 15.383 2.071 93 1HB PRO 14 2HB PRO 14 -3.225 17.050 4.346 94 2HB PRO 14 1HB PRO 14 -2.662 17.539 2.745 95 1HG PRO 14 2HG PRO 14 -5.287 17.868 3.815 96 2HG PRO 14 1HG PRO 14 -4.710 18.287 2.194 97 1HD PRO 14 2HD PRO 14 -6.472 16.116 2.929 98 2HD PRO 14 1HD PRO 14 -5.891 16.557 1.310 99 H ILE 15 H ILE 15 -1.512 13.697 2.969 100 HA ILE 15 HA ILE 15 -2.474 12.329 5.339 101 HB ILE 15 HB ILE 15 0.216 12.205 3.935 102 1HG1 ILE 15 2HG1 ILE 15 -1.729 9.953 3.976 103 2HG1 ILE 15 1HG1 ILE 15 -2.170 11.349 2.994 104 1HG2 ILE 15 1HG2 ILE 15 0.733 11.390 6.068 105 2HG2 ILE 15 2HG2 ILE 15 0.177 9.920 5.262 106 3HG2 ILE 15 3HG2 ILE 15 -0.904 10.797 6.342 107 1HD1 ILE 15 1HD1 ILE 15 -0.320 11.112 1.587 108 2HD1 ILE 15 2HD1 ILE 15 -0.730 9.431 1.925 109 3HD1 ILE 15 3HD1 ILE 15 0.602 10.206 2.782 110 H GLU 16 H GLU 16 -1.241 12.251 7.439 111 HA GLU 16 HA GLU 16 0.664 14.376 8.000 112 1HB GLU 16 2HB GLU 16 -0.973 15.498 9.679 113 2HB GLU 16 1HB GLU 16 -1.126 15.903 7.969 114 1HG GLU 16 2HG GLU 16 -3.000 14.462 7.687 115 2HG GLU 16 1HG GLU 16 -2.712 13.661 9.232 116 H GLY 17 H GLY 17 1.396 12.101 8.654 117 1HA GLY 17 2HA GLY 17 1.699 11.901 11.423 118 2HA GLY 17 1HA GLY 17 0.308 10.886 11.038 119 H ARG 18 H ARG 18 0.738 9.520 8.991 120 HA ARG 18 HA ARG 18 3.534 8.523 8.883 121 1HB ARG 18 2HB ARG 18 1.404 7.180 10.221 122 2HB ARG 18 1HB ARG 18 1.701 6.297 8.728 123 1HG ARG 18 2HG ARG 18 4.012 5.964 9.276 124 2HG ARG 18 1HG ARG 18 3.929 7.116 10.606 125 1HD ARG 18 2HD ARG 18 3.656 4.392 10.888 126 2HD ARG 18 1HD ARG 18 3.061 5.584 12.041 127 HE ARG 18 HE ARG 18 1.002 5.361 10.202 128 1HH1 ARG 18 1HH2 ARG 18 2.876 3.208 12.134 129 2HH1 ARG 18 2HH2 ARG 18 1.598 2.055 12.327 130 1HH2 ARG 18 1HH1 ARG 18 -0.680 3.868 10.444 131 2HH2 ARG 18 2HH1 ARG 18 -0.415 2.429 11.370 132 H VAL 19 H VAL 19 4.104 7.993 6.779 133 HA VAL 19 HA VAL 19 1.890 7.995 4.756 134 HB VAL 19 HB VAL 19 4.663 9.176 4.419 135 1HG1 VAL 19 1HG1 VAL 19 3.164 10.229 2.432 136 2HG1 VAL 19 2HG1 VAL 19 2.349 8.676 2.602 137 3HG1 VAL 19 3HG1 VAL 19 4.074 8.730 2.236 138 1HG2 VAL 19 1HG2 VAL 19 2.831 10.342 5.950 139 2HG2 VAL 19 2HG2 VAL 19 2.138 10.784 4.391 140 3HG2 VAL 19 3HG2 VAL 19 3.774 11.290 4.801 141 H VAL 20 H VAL 20 2.366 6.856 2.786 142 HA VAL 20 HA VAL 20 4.574 4.859 2.972 143 HB VAL 20 HB VAL 20 1.644 4.374 2.469 144 1HG1 VAL 20 1HG1 VAL 20 2.584 2.021 1.715 145 2HG1 VAL 20 2HG1 VAL 20 4.005 2.961 1.260 146 3HG1 VAL 20 3HG1 VAL 20 2.436 3.326 0.539 147 1HG2 VAL 20 1HG2 VAL 20 2.807 4.013 4.701 148 2HG2 VAL 20 2HG2 VAL 20 3.709 2.713 3.925 149 3HG2 VAL 20 3HG2 VAL 20 1.954 2.612 4.057 150 H ASN 21 H ASN 21 5.844 5.252 1.224 151 HA ASN 21 HA ASN 21 4.699 6.690 -1.071 152 1HB ASN 21 2HB ASN 21 7.509 5.737 -0.503 153 2HB ASN 21 1HB ASN 21 7.045 6.715 -1.892 154 1HD2 ASN 21 1HD2 ASN 21 5.221 7.425 0.942 155 2HD2 ASN 21 2HD2 ASN 21 6.054 8.832 1.397 156 H ALA 22 H ALA 22 3.526 5.396 -2.402 157 HA ALA 22 HA ALA 22 4.919 3.075 -3.624 158 1HB ALA 22 1HB ALA 22 3.081 1.573 -3.267 159 2HB ALA 22 2HB ALA 22 2.071 2.866 -2.619 160 3HB ALA 22 3HB ALA 22 3.455 2.278 -1.694 161 H MET 23 H MET 23 3.847 2.442 -5.683 162 HA MET 23 HA MET 23 2.905 3.043 -7.747 163 1HB MET 23 2HB MET 23 1.007 4.776 -6.160 164 2HB MET 23 1HB MET 23 0.705 3.963 -7.692 165 1HG MET 23 2HG MET 23 1.293 2.447 -5.138 166 2HG MET 23 1HG MET 23 -0.340 2.871 -5.637 167 1HE MET 23 1HE MET 23 1.857 0.295 -5.273 168 2HE MET 23 2HE MET 23 1.311 -0.946 -6.397 169 3HE MET 23 3HE MET 23 0.166 -0.227 -5.266 170 H GLY 24 H GLY 24 4.812 4.780 -6.129 171 1HA GLY 24 2HA GLY 24 6.042 6.736 -6.620 172 2HA GLY 24 1HA GLY 24 5.059 6.904 -8.078 173 H LYS 25 H LYS 25 3.348 6.442 -5.180 174 HA LYS 25 HA LYS 25 2.694 9.364 -5.004 175 1HB LYS 25 2HB LYS 25 0.861 6.969 -4.660 176 2HB LYS 25 1HB LYS 25 0.390 8.644 -4.407 177 1HG LYS 25 2HG LYS 25 1.601 8.563 -6.969 178 2HG LYS 25 1HG LYS 25 0.535 7.159 -6.888 179 1HD LYS 25 2HD LYS 25 -1.299 8.671 -6.081 180 2HD LYS 25 1HD LYS 25 -0.229 10.045 -6.359 181 1HE LYS 25 2HE LYS 25 -1.799 9.584 -8.270 182 2HE LYS 25 1HE LYS 25 -0.095 9.541 -8.724 183 1HZ LYS 25 1HZ LYS 25 -1.689 7.143 -8.005 184 2HZ LYS 25 2HZ LYS 25 -0.107 7.173 -8.627 185 3HZ LYS 25 3HZ LYS 25 -1.414 7.658 -9.597 186 H GLN 26 H GLN 26 0.951 8.958 -2.802 187 HA GLN 26 HA GLN 26 2.731 7.945 -0.627 188 1HB GLN 26 2HB GLN 26 1.407 10.646 -0.917 189 2HB GLN 26 1HB GLN 26 1.799 10.003 0.672 190 1HG GLN 26 2HG GLN 26 4.064 10.257 0.369 191 2HG GLN 26 1HG GLN 26 3.984 9.818 -1.331 192 1HE2 GLN 26 1HE2 GLN 26 1.657 12.194 -0.875 193 2HE2 GLN 26 2HE2 GLN 26 2.583 13.552 -1.290 194 H TRP 27 H TRP 27 1.466 6.956 1.085 195 HA TRP 27 HA TRP 27 -1.498 7.094 0.747 196 1HB TRP 27 2HB TRP 27 0.065 4.511 0.958 197 2HB TRP 27 1HB TRP 27 -1.681 4.668 0.785 198 HD1 TRP 27 HD TRP 27 1.582 5.286 -1.154 199 HE1 TRP 27 1HE TRP 27 1.035 5.331 -3.674 200 HE3 TRP 27 3HE TRP 27 -3.483 4.958 -0.934 201 HZ2 TRP 27 2HZ TRP 27 -1.276 5.240 -5.370 202 HZ3 TRP 27 3HZ TRP 27 -4.845 4.937 -2.993 203 HH2 TRP 27 HH TRP 27 -3.750 5.077 -5.217 204 H HIS 28 H HIS 28 -2.621 6.966 2.708 205 HA HIS 28 HA HIS 28 -1.221 7.382 5.162 206 1HB HIS 28 2HB HIS 28 -3.992 6.322 4.550 207 2HB HIS 28 1HB HIS 28 -3.395 6.397 6.204 208 HD2 HIS 28 2HD HIS 28 -2.441 9.208 6.829 209 HE1 HIS 28 1HE HIS 28 -5.374 10.845 4.270 210 HE2 HIS 28 2HE HIS 28 -3.735 11.371 6.137 211 H VAL 29 H VAL 29 -0.344 5.834 6.614 212 HA VAL 29 HA VAL 29 0.414 3.299 5.599 213 HB VAL 29 HB VAL 29 0.329 4.485 8.366 214 1HG1 VAL 29 1HG1 VAL 29 0.945 1.634 7.577 215 2HG1 VAL 29 2HG1 VAL 29 -0.120 2.203 8.861 216 3HG1 VAL 29 3HG1 VAL 29 1.629 2.365 9.028 217 1HG2 VAL 29 1HG2 VAL 29 2.624 3.386 6.732 218 2HG2 VAL 29 2HG2 VAL 29 2.716 4.461 8.120 219 3HG2 VAL 29 3HG2 VAL 29 2.070 5.056 6.586 220 H GLU 30 H GLU 30 -2.546 4.377 6.958 221 HA GLU 30 HA GLU 30 -3.412 1.631 7.615 222 1HB GLU 30 2HB GLU 30 -5.477 3.703 7.776 223 2HB GLU 30 1HB GLU 30 -4.900 2.599 9.023 224 1HG GLU 30 2HG GLU 30 -3.550 5.175 8.163 225 2HG GLU 30 1HG GLU 30 -4.439 4.919 9.662 226 H HIS 31 H HIS 31 -3.689 3.951 5.041 227 HA HIS 31 HA HIS 31 -5.984 2.456 3.870 228 1HB HIS 31 2HB HIS 31 -4.671 5.024 2.925 229 2HB HIS 31 1HB HIS 31 -6.154 4.315 2.288 230 HD2 HIS 31 2HD HIS 31 -7.128 3.574 5.566 231 HE1 HIS 31 1HE HIS 31 -7.567 7.766 5.672 232 HE2 HIS 31 2HE HIS 31 -8.194 5.595 6.820 233 H PHE 32 H PHE 32 -2.625 2.363 3.737 234 HA PHE 32 HA PHE 32 -2.524 1.681 0.876 235 1HB PHE 32 2HB PHE 32 -0.551 2.729 2.158 236 2HB PHE 32 1HB PHE 32 -0.330 1.140 2.893 237 HD1 PHE 32 1HD PHE 32 1.247 -0.221 1.838 238 HD2 PHE 32 2HD PHE 32 -1.077 2.497 -0.539 239 HE1 PHE 32 1HE PHE 32 2.367 -1.049 -0.209 240 HE2 PHE 32 2HE PHE 32 0.049 1.674 -2.578 241 HZ PHE 32 HZ PHE 32 1.775 -0.099 -2.418 242 H VAL 33 H VAL 33 -3.675 -0.115 0.490 243 HA VAL 33 HA VAL 33 -3.102 -2.534 2.153 244 HB VAL 33 HB VAL 33 -5.429 -3.190 1.800 245 1HG1 VAL 33 1HG1 VAL 33 -5.775 -2.033 3.704 246 2HG1 VAL 33 2HG1 VAL 33 -6.316 -0.686 2.706 247 3HG1 VAL 33 3HG1 VAL 33 -4.633 -0.773 3.224 248 1HG2 VAL 33 1HG2 VAL 33 -5.812 -2.247 -0.396 249 2HG2 VAL 33 2HG2 VAL 33 -5.543 -0.612 0.212 250 3HG2 VAL 33 3HG2 VAL 33 -6.974 -1.513 0.711 251 H CYS 34 H CYS 34 -3.939 -4.517 0.965 252 HA CYS 34 HA CYS 34 -2.467 -4.897 -1.459 253 1HB CYS 34 2HB CYS 34 -2.844 -6.826 -0.225 254 2HB CYS 34 1HB CYS 34 -4.531 -6.448 0.072 255 H ALA 35 H ALA 35 -3.231 -5.103 -3.606 256 HA ALA 35 HA ALA 35 -5.665 -3.524 -4.173 257 1HB ALA 35 1HB ALA 35 -4.809 -3.320 -6.368 258 2HB ALA 35 2HB ALA 35 -3.808 -4.761 -6.199 259 3HB ALA 35 3HB ALA 35 -3.372 -3.282 -5.342 260 H LYS 36 H LYS 36 -5.754 -6.306 -3.062 261 HA LYS 36 HA LYS 36 -7.473 -7.507 -5.195 262 1HB LYS 36 2HB LYS 36 -5.040 -8.563 -4.523 263 2HB LYS 36 1HB LYS 36 -6.072 -9.402 -3.381 264 1HG LYS 36 2HG LYS 36 -7.518 -9.580 -5.746 265 2HG LYS 36 1HG LYS 36 -5.849 -9.723 -6.290 266 1HD LYS 36 2HD LYS 36 -5.456 -11.554 -4.720 267 2HD LYS 36 1HD LYS 36 -7.082 -11.370 -4.069 268 1HE LYS 36 2HE LYS 36 -6.636 -11.895 -7.005 269 2HE LYS 36 1HE LYS 36 -6.708 -13.218 -5.841 270 1HZ LYS 36 1HZ LYS 36 -8.834 -11.574 -5.242 271 2HZ LYS 36 2HZ LYS 36 -8.900 -13.095 -5.997 272 3HZ LYS 36 3HZ LYS 36 -8.826 -11.680 -6.935 273 H CYS 37 H CYS 37 -6.624 -7.444 -1.758 274 HA CYS 37 HA CYS 37 -9.448 -8.239 -1.119 275 1HB CYS 37 2HB CYS 37 -8.571 -9.339 0.866 276 2HB CYS 37 1HB CYS 37 -7.681 -9.913 -0.541 277 H GLU 38 H GLU 38 -6.997 -5.847 -0.734 278 HA GLU 38 HA GLU 38 -7.104 -3.776 0.294 279 1HB GLU 38 2HB GLU 38 -9.826 -4.426 1.407 280 2HB GLU 38 1HB GLU 38 -9.169 -2.861 0.938 281 1HG GLU 38 2HG GLU 38 -9.020 -4.042 -1.455 282 2HG GLU 38 1HG GLU 38 -10.325 -5.020 -0.782 283 H LYS 39 H LYS 39 -5.758 -5.765 1.574 284 HA LYS 39 HA LYS 39 -6.585 -5.588 4.428 285 1HB LYS 39 2HB LYS 39 -4.903 -7.474 2.843 286 2HB LYS 39 1HB LYS 39 -4.423 -7.191 4.516 287 1HG LYS 39 2HG LYS 39 -7.082 -7.550 4.889 288 2HG LYS 39 1HG LYS 39 -6.858 -8.537 3.448 289 1HD LYS 39 2HD LYS 39 -4.850 -9.571 4.697 290 2HD LYS 39 1HD LYS 39 -5.530 -8.818 6.139 291 1HE LYS 39 2HE LYS 39 -6.944 -10.791 4.321 292 2HE LYS 39 1HE LYS 39 -6.351 -11.117 5.949 293 1HZ LYS 39 1HZ LYS 39 -8.723 -9.704 5.095 294 2HZ LYS 39 2HZ LYS 39 -7.859 -8.940 6.342 295 3HZ LYS 39 3HZ LYS 39 -8.415 -10.533 6.543 296 HA PRO 40 HA PRO 40 -3.587 -2.240 4.329 297 1HB PRO 40 2HB PRO 40 -4.094 -1.631 7.030 298 2HB PRO 40 1HB PRO 40 -4.770 -0.809 5.645 299 1HG PRO 40 2HG PRO 40 -6.081 -2.594 7.499 300 2HG PRO 40 1HG PRO 40 -6.809 -1.676 6.185 301 1HD PRO 40 2HD PRO 40 -6.303 -4.507 6.292 302 2HD PRO 40 1HD PRO 40 -6.996 -3.594 4.943 303 H PHE 41 H PHE 41 -1.517 -2.180 4.862 304 HA PHE 41 HA PHE 41 -0.458 -4.290 6.680 305 1HB PHE 41 2HB PHE 41 1.316 -2.426 5.149 306 2HB PHE 41 1HB PHE 41 1.552 -4.127 5.536 307 HD1 PHE 41 1HD PHE 41 -0.088 -5.815 4.458 308 HD2 PHE 41 2HD PHE 41 0.503 -1.818 3.040 309 HE1 PHE 41 1HE PHE 41 -0.990 -6.470 2.240 310 HE2 PHE 41 2HE PHE 41 -0.393 -2.461 0.819 311 HZ PHE 41 HZ PHE 41 -1.130 -4.793 0.416 312 H LEU 42 H LEU 42 -1.645 -2.633 8.272 313 HA LEU 42 HA LEU 42 -0.730 -0.160 9.048 314 1HB LEU 42 2HB LEU 42 -1.552 -2.572 10.631 315 2HB LEU 42 1HB LEU 42 -0.912 -1.177 11.495 316 HG LEU 42 HG LEU 42 -2.608 0.273 10.458 317 1HD1 LEU 42 1HD1 LEU 42 -4.423 -0.902 9.117 318 2HD1 LEU 42 2HD1 LEU 42 -3.303 -2.264 8.999 319 3HD1 LEU 42 3HD1 LEU 42 -2.859 -0.694 8.322 320 1HD2 LEU 42 1HD2 LEU 42 -3.578 -2.265 11.775 321 2HD2 LEU 42 2HD2 LEU 42 -4.706 -0.991 11.312 322 3HD2 LEU 42 3HD2 LEU 42 -3.426 -0.656 12.481 323 H GLY 43 H GLY 43 0.771 -3.204 10.135 324 1HA GLY 43 2HA GLY 43 3.392 -1.770 10.250 325 2HA GLY 43 1HA GLY 43 2.871 -2.781 11.596 326 H HIS 44 H HIS 44 2.146 -3.618 8.279 327 HA HIS 44 HA HIS 44 4.079 -5.901 8.512 328 1HB HIS 44 2HB HIS 44 1.727 -6.082 6.676 329 2HB HIS 44 1HB HIS 44 2.515 -7.345 7.619 330 HD1 HIS 44 1HD HIS 44 -0.642 -6.220 7.540 331 HD2 HIS 44 2HD HIS 44 2.154 -6.014 10.623 332 HE1 HIS 44 1HE HIS 44 -1.960 -5.944 9.685 333 H ARG 45 H ARG 45 4.820 -6.730 6.354 334 HA ARG 45 HA ARG 45 5.765 -4.494 4.719 335 1HB ARG 45 2HB ARG 45 7.384 -6.182 4.973 336 2HB ARG 45 1HB ARG 45 6.207 -7.475 4.756 337 1HG ARG 45 2HG ARG 45 6.040 -7.028 2.391 338 2HG ARG 45 1HG ARG 45 6.996 -5.556 2.547 339 1HD ARG 45 2HD ARG 45 7.970 -8.381 3.065 340 2HD ARG 45 1HD ARG 45 8.393 -7.373 1.680 341 HE ARG 45 HE ARG 45 9.140 -5.839 3.863 342 1HH1 ARG 45 1HH2 ARG 45 9.717 -9.049 2.746 343 2HH1 ARG 45 2HH2 ARG 45 11.299 -9.150 3.444 344 1HH2 ARG 45 1HH1 ARG 45 11.202 -5.953 4.781 345 2HH2 ARG 45 2HH1 ARG 45 12.139 -7.398 4.597 346 H HIS 46 H HIS 46 5.333 -4.289 2.411 347 HA HIS 46 HA HIS 46 2.773 -5.607 1.575 348 1HB HIS 46 2HB HIS 46 2.516 -3.563 0.070 349 2HB HIS 46 1HB HIS 46 2.271 -3.304 1.789 350 HD1 HIS 46 1HD HIS 46 4.315 -2.190 3.117 351 HD2 HIS 46 2HD HIS 46 4.650 -2.144 -1.040 352 HE1 HIS 46 1HE HIS 46 6.144 -0.528 2.564 353 H TYR 47 H TYR 47 2.555 -5.639 -0.846 354 HA TYR 47 HA TYR 47 5.178 -6.069 -2.204 355 1HB TYR 47 2HB TYR 47 2.796 -7.919 -2.398 356 2HB TYR 47 1HB TYR 47 4.412 -8.203 -3.015 357 HD1 TYR 47 1HD TYR 47 5.990 -9.332 -1.662 358 HD2 TYR 47 2HD TYR 47 2.597 -7.445 0.177 359 HE1 TYR 47 1HE TYR 47 6.689 -10.196 0.556 360 HE2 TYR 47 2HE TYR 47 3.311 -8.306 2.382 361 HH TYR 47 HH TYR 47 6.009 -10.548 2.693 362 H GLU 48 H GLU 48 5.186 -5.319 -4.325 363 HA GLU 48 HA GLU 48 2.632 -4.077 -5.273 364 1HB GLU 48 2HB GLU 48 5.530 -3.345 -5.595 365 2HB GLU 48 1HB GLU 48 4.331 -2.755 -6.748 366 1HG GLU 48 2HG GLU 48 3.115 -1.610 -5.057 367 2HG GLU 48 1HG GLU 48 3.970 -2.449 -3.763 368 H ARG 49 H ARG 49 2.015 -4.260 -7.424 369 HA ARG 49 HA ARG 49 3.564 -6.050 -9.210 370 1HB ARG 49 2HB ARG 49 2.062 -7.575 -8.015 371 2HB ARG 49 1HB ARG 49 0.697 -6.548 -8.411 372 1HG ARG 49 2HG ARG 49 0.496 -8.086 -10.125 373 2HG ARG 49 1HG ARG 49 1.567 -6.928 -10.905 374 1HD ARG 49 2HD ARG 49 3.493 -8.256 -9.943 375 2HD ARG 49 1HD ARG 49 2.319 -9.507 -9.554 376 HE ARG 49 HE ARG 49 1.867 -8.993 -12.237 377 1HH1 ARG 49 1HH2 ARG 49 4.589 -9.772 -10.271 378 2HH1 ARG 49 2HH2 ARG 49 5.424 -10.619 -11.530 379 1HH2 ARG 49 1HH1 ARG 49 2.941 -10.094 -13.893 380 2HH2 ARG 49 2HH1 ARG 49 4.492 -10.801 -13.581 381 H LYS 50 H LYS 50 3.465 -5.305 -11.258 382 HA LYS 50 HA LYS 50 3.006 -3.805 -12.984 383 1HB LYS 50 2HB LYS 50 0.779 -4.099 -13.917 384 2HB LYS 50 1HB LYS 50 1.354 -5.650 -13.314 385 1HG LYS 50 2HG LYS 50 -0.043 -5.534 -11.381 386 2HG LYS 50 1HG LYS 50 -0.381 -3.821 -11.636 387 1HD LYS 50 2HD LYS 50 -2.271 -5.302 -12.329 388 2HD LYS 50 1HD LYS 50 -1.643 -4.319 -13.652 389 1HE LYS 50 2HE LYS 50 -0.572 -7.094 -13.169 390 2HE LYS 50 1HE LYS 50 -2.058 -6.852 -14.088 391 1HZ LYS 50 1HZ LYS 50 -0.292 -5.012 -15.092 392 2HZ LYS 50 2HZ LYS 50 -0.766 -6.467 -15.830 393 3HZ LYS 50 3HZ LYS 50 0.641 -6.411 -14.879 394 H GLY 51 H GLY 51 2.912 -2.749 -10.210 395 1HA GLY 51 2HA GLY 51 2.700 -0.461 -9.569 396 2HA GLY 51 1HA GLY 51 1.639 -0.207 -10.949 397 H LEU 52 H LEU 52 1.208 -2.833 -8.697 398 HA LEU 52 HA LEU 52 -1.029 -1.397 -7.376 399 1HB LEU 52 2HB LEU 52 -1.227 -3.934 -8.980 400 2HB LEU 52 1HB LEU 52 -2.325 -3.659 -7.631 401 HG LEU 52 HG LEU 52 -1.940 -1.809 -10.003 402 1HD1 LEU 52 1HD1 LEU 52 -4.400 -2.528 -10.347 403 2HD1 LEU 52 2HD1 LEU 52 -4.023 -3.861 -9.253 404 3HD1 LEU 52 3HD1 LEU 52 -3.145 -3.694 -10.773 405 1HD2 LEU 52 1HD2 LEU 52 -4.260 -1.048 -8.778 406 2HD2 LEU 52 2HD2 LEU 52 -2.698 -0.296 -8.457 407 3HD2 LEU 52 3HD2 LEU 52 -3.310 -1.549 -7.376 408 H ALA 53 H ALA 53 -1.284 -1.979 -5.251 409 HA ALA 53 HA ALA 53 0.890 -3.510 -4.074 410 1HB ALA 53 1HB ALA 53 -0.385 -3.077 -1.923 411 2HB ALA 53 2HB ALA 53 -1.583 -2.223 -2.905 412 3HB ALA 53 3HB ALA 53 0.077 -1.628 -2.821 413 H TYR 54 H TYR 54 0.691 -5.399 -2.809 414 HA TYR 54 HA TYR 54 -1.839 -6.881 -2.826 415 1HB TYR 54 2HB TYR 54 0.592 -7.753 -4.386 416 2HB TYR 54 1HB TYR 54 -0.629 -8.890 -3.835 417 HD1 TYR 54 1HD TYR 54 0.264 -6.501 -6.320 418 HD2 TYR 54 2HD TYR 54 -3.062 -8.434 -4.454 419 HE1 TYR 54 1HE TYR 54 -1.141 -5.901 -8.238 420 HE2 TYR 54 2HE TYR 54 -4.507 -7.806 -6.393 421 HH TYR 54 HH TYR 54 -3.558 -7.100 -9.221 422 H CYS 55 H CYS 55 -1.891 -8.284 -1.032 423 HA CYS 55 HA CYS 55 0.113 -7.948 0.958 424 1HB CYS 55 2HB CYS 55 -1.586 -10.454 0.711 425 2HB CYS 55 1HB CYS 55 -0.957 -9.716 2.181 426 H GLU 56 H GLU 56 1.383 -10.041 1.783 427 HA GLU 56 HA GLU 56 3.291 -10.798 -0.187 428 1HB GLU 56 2HB GLU 56 3.734 -10.969 2.238 429 2HB GLU 56 1HB GLU 56 2.519 -12.220 2.378 430 1HG GLU 56 2HG GLU 56 4.977 -12.974 2.234 431 2HG GLU 56 1HG GLU 56 3.819 -13.793 1.190 432 H THR 57 H THR 57 0.262 -12.267 0.820 433 HA THR 57 HA THR 57 0.748 -14.726 -0.695 434 HB THR 57 HB THR 57 -1.701 -13.751 0.787 435 HG1 THR 57 1HG THR 57 -0.284 -15.927 1.664 436 1HG2 THR 57 1HG2 THR 57 -2.298 -16.226 0.650 437 2HG2 THR 57 2HG2 THR 57 -1.041 -16.366 -0.579 438 3HG2 THR 57 3HG2 THR 57 -2.434 -15.322 -0.858 439 H HIS 58 H HIS 58 -1.596 -12.027 -0.964 440 HA HIS 58 HA HIS 58 -2.731 -13.066 -3.365 441 1HB HIS 58 2HB HIS 58 -2.645 -10.251 -2.271 442 2HB HIS 58 1HB HIS 58 -3.595 -10.733 -3.672 443 HD2 HIS 58 2HD HIS 58 -4.711 -13.623 -2.429 444 HE1 HIS 58 1HE HIS 58 -6.356 -11.232 0.636 445 HE2 HIS 58 2HE HIS 58 -6.431 -13.512 -0.475 446 H TYR 59 H TYR 59 -0.087 -10.802 -2.735 447 HA TYR 59 HA TYR 59 0.473 -10.032 -5.372 448 1HB TYR 59 2HB TYR 59 1.733 -9.120 -3.508 449 2HB TYR 59 1HB TYR 59 2.293 -10.711 -3.039 450 HD1 TYR 59 1HD TYR 59 2.056 -9.385 -6.506 451 HD2 TYR 59 2HD TYR 59 4.651 -10.472 -3.262 452 HE1 TYR 59 1HE TYR 59 3.988 -9.149 -7.973 453 HE2 TYR 59 2HE TYR 59 6.611 -10.222 -4.758 454 HH TYR 59 HH TYR 59 6.709 -10.397 -7.690 455 H ASN 60 H ASN 60 1.836 -12.659 -3.480 456 HA ASN 60 HA ASN 60 3.097 -13.939 -5.665 457 1HB ASN 60 2HB ASN 60 2.204 -14.966 -2.965 458 2HB ASN 60 1HB ASN 60 3.105 -15.956 -4.111 459 1HD2 ASN 60 1HD2 ASN 60 4.152 -15.163 -1.514 460 2HD2 ASN 60 2HD2 ASN 60 5.493 -14.161 -1.789 461 H GLN 61 H GLN 61 -0.056 -14.499 -4.094 462 HA GLN 61 HA GLN 61 -0.838 -16.734 -5.673 463 1HB GLN 61 2HB GLN 61 -2.121 -15.531 -3.714 464 2HB GLN 61 1HB GLN 61 -2.821 -14.564 -5.011 465 1HG GLN 61 2HG GLN 61 -4.332 -16.365 -4.754 466 2HG GLN 61 1HG GLN 61 -3.355 -16.817 -6.151 467 1HE2 GLN 61 1HE2 GLN 61 -1.640 -18.461 -5.801 468 2HE2 GLN 61 2HE2 GLN 61 -1.729 -19.517 -4.476 469 H LEU 62 H LEU 62 -0.778 -13.311 -6.297 470 HA LEU 62 HA LEU 62 -2.069 -13.490 -8.903 471 1HB LEU 62 2HB LEU 62 -0.764 -11.366 -7.263 472 2HB LEU 62 1HB LEU 62 -0.799 -11.109 -9.000 473 HG LEU 62 HG LEU 62 -3.309 -11.692 -8.834 474 1HD1 LEU 62 1HD1 LEU 62 -4.370 -11.414 -6.726 475 2HD1 LEU 62 2HD1 LEU 62 -2.886 -10.829 -5.978 476 3HD1 LEU 62 3HD1 LEU 62 -3.035 -12.526 -6.443 477 1HD2 LEU 62 1HD2 LEU 62 -2.677 -9.461 -9.362 478 2HD2 LEU 62 2HD2 LEU 62 -2.071 -9.178 -7.731 479 3HD2 LEU 62 3HD2 LEU 62 -3.807 -9.330 -8.014 480 H PHE 63 H PHE 63 1.217 -13.511 -7.671 481 HA PHE 63 HA PHE 63 2.193 -14.541 -10.235 482 1HB PHE 63 2HB PHE 63 2.716 -11.747 -9.294 483 2HB PHE 63 1HB PHE 63 3.998 -12.599 -10.145 484 HD1 PHE 63 1HD PHE 63 0.796 -10.932 -10.429 485 HD2 PHE 63 2HD PHE 63 3.569 -13.501 -12.463 486 HE1 PHE 63 1HE PHE 63 -0.333 -10.440 -12.584 487 HE2 PHE 63 2HE PHE 63 2.443 -13.012 -14.619 488 HZ PHE 63 HZ PHE 63 0.492 -11.481 -14.679 489 H GLY 64 H GLY 64 4.030 -12.689 -7.896 490 1HA GLY 64 2HA GLY 64 5.531 -13.396 -6.212 491 2HA GLY 64 1HA GLY 64 4.938 -15.045 -6.420 492 H ASP 65 H ASP 65 6.104 -13.072 -9.079 493 HA ASP 65 HA ASP 65 7.880 -13.438 -10.571 494 1HB ASP 65 2HB ASP 65 9.095 -12.841 -8.394 495 2HB ASP 65 1HB ASP 65 9.350 -14.575 -8.185 496 H VAL 66 H VAL 66 5.925 -15.514 -10.397 497 HA VAL 66 HA VAL 66 7.388 -17.672 -11.642 498 HB VAL 66 HB VAL 66 7.895 -18.146 -9.248 499 1HG1 VAL 66 1HG1 VAL 66 5.687 -17.137 -8.457 500 2HG1 VAL 66 2HG1 VAL 66 6.153 -18.655 -7.690 501 3HG1 VAL 66 3HG1 VAL 66 4.925 -18.648 -8.956 502 1HG2 VAL 66 1HG2 VAL 66 7.639 -19.976 -10.941 503 2HG2 VAL 66 2HG2 VAL 66 5.945 -20.126 -10.469 504 3HG2 VAL 66 3HG2 VAL 66 7.220 -20.489 -9.306 Start of MODEL 12 1 1H GLY 1 1HT GLY 1 4.309 29.748 2.525 2 2H GLY 1 2HT GLY 1 4.101 29.127 0.957 3 3H GLY 1 3HT GLY 1 5.341 30.243 1.274 4 1HA GLY 1 2HA GLY 1 6.437 28.201 1.174 5 2HA GLY 1 1HA GLY 1 6.255 28.542 2.895 6 H SER 2 H SER 2 5.460 26.366 0.365 7 HA SER 2 HA SER 2 3.203 25.096 1.690 8 1HB SER 2 2HB SER 2 3.506 24.921 -0.747 9 2HB SER 2 1HB SER 2 5.036 24.082 -0.506 10 HG SER 2 HG SER 2 3.757 22.515 0.716 11 H MET 3 H MET 3 3.338 23.702 3.381 12 HA MET 3 HA MET 3 5.883 22.942 4.503 13 1HB MET 3 2HB MET 3 3.566 23.200 5.673 14 2HB MET 3 1HB MET 3 3.291 21.542 5.144 15 1HG MET 3 2HG MET 3 4.229 21.398 7.345 16 2HG MET 3 1HG MET 3 5.519 20.954 6.227 17 1HE MET 3 1HE MET 3 7.234 22.843 9.189 18 2HE MET 3 2HE MET 3 7.427 21.477 8.094 19 3HE MET 3 3HE MET 3 5.973 21.607 9.080 20 H GLY 4 H GLY 4 4.223 21.769 1.851 21 1HA GLY 4 2HA GLY 4 4.677 19.911 0.481 22 2HA GLY 4 1HA GLY 4 6.006 19.507 1.569 23 H VAL 5 H VAL 5 2.477 19.764 2.109 24 HA VAL 5 HA VAL 5 2.498 17.393 3.779 25 HB VAL 5 HB VAL 5 0.431 19.312 2.783 26 1HG1 VAL 5 1HG1 VAL 5 -1.261 17.720 3.960 27 2HG1 VAL 5 2HG1 VAL 5 -0.086 16.460 3.606 28 3HG1 VAL 5 3HG1 VAL 5 -0.811 17.382 2.286 29 1HG2 VAL 5 1HG2 VAL 5 1.187 18.112 5.460 30 2HG2 VAL 5 2HG2 VAL 5 -0.217 19.158 5.231 31 3HG2 VAL 5 3HG2 VAL 5 1.410 19.782 4.930 32 HA PRO 6 HA PRO 6 2.023 14.580 0.362 33 1HB PRO 6 2HB PRO 6 1.602 12.378 2.091 34 2HB PRO 6 1HB PRO 6 3.151 12.889 1.416 35 1HG PRO 6 2HG PRO 6 2.273 13.081 4.166 36 2HG PRO 6 1HG PRO 6 3.842 13.510 3.481 37 1HD PRO 6 2HD PRO 6 1.702 15.279 4.326 38 2HD PRO 6 1HD PRO 6 3.325 15.691 3.769 39 H ILE 7 H ILE 7 0.330 13.075 -0.352 40 HA ILE 7 HA ILE 7 -2.234 13.435 1.103 41 HB ILE 7 HB ILE 7 -1.650 14.152 -1.763 42 1HG1 ILE 7 2HG1 ILE 7 -3.238 15.454 0.450 43 2HG1 ILE 7 1HG1 ILE 7 -1.553 15.812 0.129 44 1HG2 ILE 7 1HG2 ILE 7 -4.222 14.338 -1.888 45 2HG2 ILE 7 2HG2 ILE 7 -4.241 13.265 -0.488 46 3HG2 ILE 7 3HG2 ILE 7 -3.532 12.719 -2.008 47 1HD1 ILE 7 1HD1 ILE 7 -3.392 17.356 -0.878 48 2HD1 ILE 7 2HD1 ILE 7 -3.611 16.055 -2.054 49 3HD1 ILE 7 3HD1 ILE 7 -2.048 16.861 -1.909 50 H CYS 8 H CYS 8 -3.052 11.540 1.487 51 HA CYS 8 HA CYS 8 -2.016 9.115 0.541 52 1HB CYS 8 2HB CYS 8 -3.287 9.142 2.568 53 2HB CYS 8 1HB CYS 8 -4.700 9.782 1.742 54 H GLY 9 H GLY 9 -2.034 8.405 -1.476 55 1HA GLY 9 2HA GLY 9 -3.703 9.383 -3.549 56 2HA GLY 9 1HA GLY 9 -2.770 7.893 -3.639 57 H ALA 10 H ALA 10 -4.564 7.549 -0.938 58 HA ALA 10 HA ALA 10 -6.489 5.811 -2.325 59 1HB ALA 10 1HB ALA 10 -5.166 5.452 -0.022 60 2HB ALA 10 2HB ALA 10 -6.750 4.736 -0.301 61 3HB ALA 10 3HB ALA 10 -6.607 6.228 0.629 62 H CYS 11 H CYS 11 -6.770 8.330 0.183 63 HA CYS 11 HA CYS 11 -9.538 8.873 -0.788 64 1HB CYS 11 2HB CYS 11 -9.557 10.269 1.410 65 2HB CYS 11 1HB CYS 11 -9.604 8.510 1.537 66 H ARG 12 H ARG 12 -6.521 9.945 -1.454 67 HA ARG 12 HA ARG 12 -5.648 11.965 -2.244 68 1HB ARG 12 2HB ARG 12 -8.605 12.386 -2.795 69 2HB ARG 12 1HB ARG 12 -7.333 13.451 -3.393 70 1HG ARG 12 2HG ARG 12 -7.456 10.472 -3.939 71 2HG ARG 12 1HG ARG 12 -8.039 11.706 -5.055 72 1HD ARG 12 2HD ARG 12 -5.506 12.623 -4.480 73 2HD ARG 12 1HD ARG 12 -5.268 10.879 -4.450 74 HE ARG 12 HE ARG 12 -5.419 12.367 -6.801 75 1HH1 ARG 12 1HH2 ARG 12 -7.205 9.782 -5.359 76 2HH1 ARG 12 2HH2 ARG 12 -7.797 9.183 -6.870 77 1HH2 ARG 12 1HH1 ARG 12 -6.179 11.586 -8.767 78 2HH2 ARG 12 2HH1 ARG 12 -7.216 10.199 -8.795 79 H ARG 13 H ARG 13 -6.054 11.795 0.528 80 HA ARG 13 HA ARG 13 -6.950 14.563 1.222 81 1HB ARG 13 2HB ARG 13 -7.042 11.964 2.743 82 2HB ARG 13 1HB ARG 13 -7.065 13.504 3.600 83 1HG ARG 13 2HG ARG 13 -9.015 14.188 2.177 84 2HG ARG 13 1HG ARG 13 -9.043 12.557 1.510 85 1HD ARG 13 2HD ARG 13 -9.142 11.778 3.983 86 2HD ARG 13 1HD ARG 13 -9.604 13.443 4.335 87 HE ARG 13 HE ARG 13 -11.323 12.702 2.294 88 1HH1 ARG 13 1HH2 ARG 13 -10.393 11.437 5.364 89 2HH1 ARG 13 2HH2 ARG 13 -11.931 10.703 5.676 90 1HH2 ARG 13 1HH1 ARG 13 -13.336 11.749 2.683 91 2HH2 ARG 13 2HH1 ARG 13 -13.596 10.879 4.158 92 HA PRO 14 HA PRO 14 -2.743 15.442 2.173 93 1HB PRO 14 2HB PRO 14 -3.427 17.046 4.478 94 2HB PRO 14 1HB PRO 14 -2.915 17.588 2.877 95 1HG PRO 14 2HG PRO 14 -5.534 17.772 3.991 96 2HG PRO 14 1HG PRO 14 -5.009 18.230 2.362 97 1HD PRO 14 2HD PRO 14 -6.638 15.957 3.121 98 2HD PRO 14 1HD PRO 14 -6.132 16.454 1.492 99 H ILE 15 H ILE 15 -1.593 13.776 3.035 100 HA ILE 15 HA ILE 15 -2.492 12.342 5.388 101 HB ILE 15 HB ILE 15 0.203 12.330 3.982 102 1HG1 ILE 15 2HG1 ILE 15 -1.786 10.098 3.904 103 2HG1 ILE 15 1HG1 ILE 15 -2.106 11.523 2.919 104 1HG2 ILE 15 1HG2 ILE 15 0.690 11.430 6.095 105 2HG2 ILE 15 2HG2 ILE 15 0.220 9.993 5.182 106 3HG2 ILE 15 3HG2 ILE 15 -0.926 10.755 6.283 107 1HD1 ILE 15 1HD1 ILE 15 0.650 10.377 2.816 108 2HD1 ILE 15 2HD1 ILE 15 -0.289 11.157 1.547 109 3HD1 ILE 15 3HD1 ILE 15 -0.635 9.488 1.997 110 H GLU 16 H GLU 16 -1.298 12.268 7.484 111 HA GLU 16 HA GLU 16 0.566 14.418 8.105 112 1HB GLU 16 2HB GLU 16 -1.112 15.433 9.822 113 2HB GLU 16 1HB GLU 16 -1.252 15.904 8.127 114 1HG GLU 16 2HG GLU 16 -3.093 14.449 7.762 115 2HG GLU 16 1HG GLU 16 -2.801 13.572 9.265 116 H GLY 17 H GLY 17 1.333 12.129 8.667 117 1HA GLY 17 2HA GLY 17 1.564 11.844 11.475 118 2HA GLY 17 1HA GLY 17 0.331 10.706 10.931 119 H ARG 18 H ARG 18 0.955 9.370 9.055 120 HA ARG 18 HA ARG 18 3.871 8.877 8.799 121 1HB ARG 18 2HB ARG 18 1.787 6.766 9.432 122 2HB ARG 18 1HB ARG 18 3.445 6.426 8.932 123 1HG ARG 18 2HG ARG 18 4.284 7.698 10.882 124 2HG ARG 18 1HG ARG 18 2.621 7.966 11.402 125 1HD ARG 18 2HD ARG 18 2.297 5.733 11.977 126 2HD ARG 18 1HD ARG 18 3.543 5.161 10.867 127 HE ARG 18 HE ARG 18 4.965 6.636 12.716 128 1HH1 ARG 18 1HH2 ARG 18 2.647 4.086 12.819 129 2HH1 ARG 18 2HH2 ARG 18 3.289 3.381 14.266 130 1HH2 ARG 18 1HH1 ARG 18 5.817 5.731 14.606 131 2HH2 ARG 18 2HH1 ARG 18 5.083 4.313 15.277 132 H VAL 19 H VAL 19 4.378 8.523 6.673 133 HA VAL 19 HA VAL 19 2.064 8.253 4.789 134 HB VAL 19 HB VAL 19 4.801 9.447 4.269 135 1HG1 VAL 19 1HG1 VAL 19 2.401 8.873 2.602 136 2HG1 VAL 19 2HG1 VAL 19 4.097 8.989 2.130 137 3HG1 VAL 19 3HG1 VAL 19 3.143 10.455 2.375 138 1HG2 VAL 19 1HG2 VAL 19 3.869 11.575 4.603 139 2HG2 VAL 19 2HG2 VAL 19 3.148 10.640 5.911 140 3HG2 VAL 19 3HG2 VAL 19 2.218 10.978 4.451 141 H VAL 20 H VAL 20 2.292 6.916 2.965 142 HA VAL 20 HA VAL 20 4.530 4.932 3.116 143 HB VAL 20 HB VAL 20 1.597 4.569 2.517 144 1HG1 VAL 20 1HG1 VAL 20 2.499 2.147 1.893 145 2HG1 VAL 20 2HG1 VAL 20 3.949 3.047 1.444 146 3HG1 VAL 20 3HG1 VAL 20 2.406 3.412 0.669 147 1HG2 VAL 20 1HG2 VAL 20 2.429 4.213 4.816 148 2HG2 VAL 20 2HG2 VAL 20 3.587 3.030 4.209 149 3HG2 VAL 20 3HG2 VAL 20 1.855 2.708 4.101 150 H ASN 21 H ASN 21 5.853 5.334 1.404 151 HA ASN 21 HA ASN 21 4.765 6.745 -0.940 152 1HB ASN 21 2HB ASN 21 7.535 5.921 -0.099 153 2HB ASN 21 1HB ASN 21 7.208 6.609 -1.688 154 1HD2 ASN 21 1HD2 ASN 21 5.415 7.582 1.216 155 2HD2 ASN 21 2HD2 ASN 21 6.046 9.156 1.288 156 H ALA 22 H ALA 22 3.657 5.428 -2.297 157 HA ALA 22 HA ALA 22 5.112 3.123 -3.463 158 1HB ALA 22 1HB ALA 22 3.632 2.324 -1.536 159 2HB ALA 22 2HB ALA 22 3.323 1.573 -3.102 160 3HB ALA 22 3HB ALA 22 2.255 2.845 -2.509 161 H MET 23 H MET 23 4.085 2.446 -5.531 162 HA MET 23 HA MET 23 3.154 3.002 -7.612 163 1HB MET 23 2HB MET 23 1.205 4.720 -6.070 164 2HB MET 23 1HB MET 23 0.938 3.889 -7.600 165 1HG MET 23 2HG MET 23 1.537 2.378 -5.050 166 2HG MET 23 1HG MET 23 -0.103 2.818 -5.512 167 1HE MET 23 1HE MET 23 0.434 -0.255 -5.137 168 2HE MET 23 2HE MET 23 2.129 0.215 -5.250 169 3HE MET 23 3HE MET 23 1.488 -1.013 -6.342 170 H GLY 24 H GLY 24 4.981 4.812 -5.954 171 1HA GLY 24 2HA GLY 24 6.183 6.787 -6.439 172 2HA GLY 24 1HA GLY 24 5.256 6.899 -7.937 173 H LYS 25 H LYS 25 3.622 6.501 -4.938 174 HA LYS 25 HA LYS 25 2.802 9.382 -4.923 175 1HB LYS 25 2HB LYS 25 1.060 6.922 -4.584 176 2HB LYS 25 1HB LYS 25 0.514 8.574 -4.332 177 1HG LYS 25 2HG LYS 25 1.733 8.618 -6.863 178 2HG LYS 25 1HG LYS 25 0.830 7.105 -6.827 179 1HD LYS 25 2HD LYS 25 -0.768 8.647 -7.592 180 2HD LYS 25 1HD LYS 25 -1.120 8.546 -5.873 181 1HE LYS 25 2HE LYS 25 -1.081 10.883 -6.437 182 2HE LYS 25 1HE LYS 25 0.406 10.547 -5.549 183 1HZ LYS 25 1HZ LYS 25 1.417 11.472 -7.287 184 2HZ LYS 25 2HZ LYS 25 0.046 11.354 -8.284 185 3HZ LYS 25 3HZ LYS 25 1.093 10.026 -8.111 186 H GLN 26 H GLN 26 0.998 8.935 -2.772 187 HA GLN 26 HA GLN 26 2.729 8.069 -0.504 188 1HB GLN 26 2HB GLN 26 1.320 10.717 -0.919 189 2HB GLN 26 1HB GLN 26 1.760 10.153 0.689 190 1HG GLN 26 2HG GLN 26 4.020 10.450 0.326 191 2HG GLN 26 1HG GLN 26 3.908 10.003 -1.371 192 1HE2 GLN 26 1HE2 GLN 26 1.508 12.286 -0.879 193 2HE2 GLN 26 2HE2 GLN 26 2.370 13.679 -1.315 194 H TRP 27 H TRP 27 1.420 7.041 1.142 195 HA TRP 27 HA TRP 27 -1.536 7.158 0.714 196 1HB TRP 27 2HB TRP 27 0.037 4.591 1.020 197 2HB TRP 27 1HB TRP 27 -1.699 4.735 0.770 198 HD1 TRP 27 HD TRP 27 1.643 5.287 -1.042 199 HE1 TRP 27 1HE TRP 27 1.203 5.298 -3.582 200 HE3 TRP 27 3HE TRP 27 -3.430 5.055 -1.031 201 HZ2 TRP 27 2HZ TRP 27 -1.037 5.220 -5.375 202 HZ3 TRP 27 3HZ TRP 27 -4.705 5.023 -3.145 203 HH2 TRP 27 HH TRP 27 -3.519 5.107 -5.321 204 H HIS 28 H HIS 28 -2.726 7.025 2.643 205 HA HIS 28 HA HIS 28 -1.395 7.491 5.130 206 1HB HIS 28 2HB HIS 28 -4.145 6.413 4.466 207 2HB HIS 28 1HB HIS 28 -3.587 6.502 6.131 208 HD2 HIS 28 2HD HIS 28 -2.627 9.335 6.722 209 HE1 HIS 28 1HE HIS 28 -5.597 10.915 4.168 210 HE2 HIS 28 2HE HIS 28 -3.945 11.476 6.015 211 H VAL 29 H VAL 29 -0.512 6.006 6.593 212 HA VAL 29 HA VAL 29 0.318 3.465 5.701 213 HB VAL 29 HB VAL 29 0.037 4.719 8.426 214 1HG1 VAL 29 1HG1 VAL 29 1.362 2.648 9.210 215 2HG1 VAL 29 2HG1 VAL 29 0.751 1.862 7.754 216 3HG1 VAL 29 3HG1 VAL 29 -0.375 2.454 8.976 217 1HG2 VAL 29 1HG2 VAL 29 2.431 4.741 8.331 218 2HG2 VAL 29 2HG2 VAL 29 1.865 5.306 6.756 219 3HG2 VAL 29 3HG2 VAL 29 2.453 3.651 6.949 220 H GLU 30 H GLU 30 -2.737 4.511 6.859 221 HA GLU 30 HA GLU 30 -3.576 1.757 7.527 222 1HB GLU 30 2HB GLU 30 -5.393 2.683 8.648 223 2HB GLU 30 1HB GLU 30 -4.178 3.943 8.852 224 1HG GLU 30 2HG GLU 30 -5.160 4.892 6.613 225 2HG GLU 30 1HG GLU 30 -6.559 3.895 7.014 226 H HIS 31 H HIS 31 -3.929 4.120 4.956 227 HA HIS 31 HA HIS 31 -6.127 2.535 3.738 228 1HB HIS 31 2HB HIS 31 -4.821 5.138 2.884 229 2HB HIS 31 1HB HIS 31 -6.118 4.341 2.000 230 HD2 HIS 31 2HD HIS 31 -7.752 3.522 4.925 231 HE1 HIS 31 1HE HIS 31 -8.220 7.706 5.148 232 HE2 HIS 31 2HE HIS 31 -9.062 5.484 6.029 233 H PHE 32 H PHE 32 -2.749 2.533 3.679 234 HA PHE 32 HA PHE 32 -2.553 1.736 0.860 235 1HB PHE 32 2HB PHE 32 -0.637 2.822 2.207 236 2HB PHE 32 1HB PHE 32 -0.436 1.242 2.964 237 HD1 PHE 32 1HD PHE 32 1.163 -0.148 1.979 238 HD2 PHE 32 2HD PHE 32 -1.036 2.587 -0.503 239 HE1 PHE 32 1HE PHE 32 2.381 -0.964 -0.021 240 HE2 PHE 32 2HE PHE 32 0.181 1.765 -2.489 241 HZ PHE 32 HZ PHE 32 1.892 -0.012 -2.252 242 H VAL 33 H VAL 33 -3.573 -0.125 0.410 243 HA VAL 33 HA VAL 33 -3.053 -2.474 2.177 244 HB VAL 33 HB VAL 33 -5.375 -3.161 1.833 245 1HG1 VAL 33 1HG1 VAL 33 -5.695 -1.999 3.737 246 2HG1 VAL 33 2HG1 VAL 33 -6.282 -0.671 2.742 247 3HG1 VAL 33 3HG1 VAL 33 -4.590 -0.721 3.232 248 1HG2 VAL 33 1HG2 VAL 33 -6.940 -1.512 0.741 249 2HG2 VAL 33 2HG2 VAL 33 -5.770 -2.230 -0.368 250 3HG2 VAL 33 3HG2 VAL 33 -5.524 -0.590 0.237 251 H CYS 34 H CYS 34 -3.848 -4.499 1.046 252 HA CYS 34 HA CYS 34 -2.373 -4.914 -1.365 253 1HB CYS 34 2HB CYS 34 -2.737 -6.810 -0.051 254 2HB CYS 34 1HB CYS 34 -4.442 -6.459 0.177 255 H ALA 35 H ALA 35 -3.140 -5.174 -3.513 256 HA ALA 35 HA ALA 35 -5.607 -3.655 -4.098 257 1HB ALA 35 1HB ALA 35 -3.351 -3.344 -5.285 258 2HB ALA 35 2HB ALA 35 -4.774 -3.501 -6.319 259 3HB ALA 35 3HB ALA 35 -3.696 -4.876 -6.089 260 H LYS 36 H LYS 36 -5.686 -6.407 -2.935 261 HA LYS 36 HA LYS 36 -7.442 -7.627 -5.014 262 1HB LYS 36 2HB LYS 36 -5.217 -8.766 -5.079 263 2HB LYS 36 1HB LYS 36 -5.412 -9.189 -3.385 264 1HG LYS 36 2HG LYS 36 -6.080 -11.065 -4.813 265 2HG LYS 36 1HG LYS 36 -7.474 -10.433 -3.943 266 1HD LYS 36 2HD LYS 36 -8.444 -9.553 -5.849 267 2HD LYS 36 1HD LYS 36 -6.892 -9.266 -6.635 268 1HE LYS 36 2HE LYS 36 -6.689 -11.494 -7.336 269 2HE LYS 36 1HE LYS 36 -7.826 -12.082 -6.124 270 1HZ LYS 36 1HZ LYS 36 -8.336 -10.898 -8.727 271 2HZ LYS 36 2HZ LYS 36 -9.387 -10.424 -7.479 272 3HZ LYS 36 3HZ LYS 36 -9.218 -12.068 -7.874 273 H CYS 37 H CYS 37 -6.524 -7.315 -1.628 274 HA CYS 37 HA CYS 37 -9.245 -8.339 -0.882 275 1HB CYS 37 2HB CYS 37 -8.256 -9.407 1.083 276 2HB CYS 37 1HB CYS 37 -7.442 -9.985 -0.371 277 H GLU 38 H GLU 38 -7.010 -5.799 -0.733 278 HA GLU 38 HA GLU 38 -7.038 -3.783 0.380 279 1HB GLU 38 2HB GLU 38 -9.825 -4.689 1.147 280 2HB GLU 38 1HB GLU 38 -9.183 -3.079 1.456 281 1HG GLU 38 2HG GLU 38 -9.177 -4.275 -1.316 282 2HG GLU 38 1HG GLU 38 -10.569 -3.389 -0.693 283 H LYS 39 H LYS 39 -5.635 -5.729 1.639 284 HA LYS 39 HA LYS 39 -6.418 -5.557 4.508 285 1HB LYS 39 2HB LYS 39 -5.763 -7.787 3.404 286 2HB LYS 39 1HB LYS 39 -4.116 -7.159 3.387 287 1HG LYS 39 2HG LYS 39 -5.574 -6.915 5.972 288 2HG LYS 39 1HG LYS 39 -5.155 -8.546 5.477 289 1HD LYS 39 2HD LYS 39 -2.798 -7.862 5.190 290 2HD LYS 39 1HD LYS 39 -3.217 -6.227 5.702 291 1HE LYS 39 2HE LYS 39 -4.057 -7.188 7.866 292 2HE LYS 39 1HE LYS 39 -3.432 -8.756 7.356 293 1HZ LYS 39 1HZ LYS 39 -1.463 -6.753 7.018 294 2HZ LYS 39 2HZ LYS 39 -1.403 -8.163 7.965 295 3HZ LYS 39 3HZ LYS 39 -2.039 -6.728 8.614 296 HA PRO 40 HA PRO 40 -3.440 -2.177 4.297 297 1HB PRO 40 2HB PRO 40 -3.916 -1.492 6.982 298 2HB PRO 40 1HB PRO 40 -4.631 -0.726 5.581 299 1HG PRO 40 2HG PRO 40 -5.875 -2.478 7.517 300 2HG PRO 40 1HG PRO 40 -6.645 -1.603 6.198 301 1HD PRO 40 2HD PRO 40 -6.097 -4.425 6.364 302 2HD PRO 40 1HD PRO 40 -6.832 -3.553 5.011 303 H PHE 41 H PHE 41 -1.349 -2.076 4.817 304 HA PHE 41 HA PHE 41 -0.271 -4.120 6.707 305 1HB PHE 41 2HB PHE 41 1.521 -2.316 5.130 306 2HB PHE 41 1HB PHE 41 1.744 -4.003 5.574 307 HD1 PHE 41 1HD PHE 41 -0.155 -1.724 3.333 308 HD2 PHE 41 2HD PHE 41 1.033 -5.762 4.164 309 HE1 PHE 41 1HE PHE 41 -1.016 -2.436 1.113 310 HE2 PHE 41 2HE PHE 41 0.172 -6.472 1.960 311 HZ PHE 41 HZ PHE 41 -0.852 -4.819 0.428 312 H LEU 42 H LEU 42 -1.483 -2.342 8.217 313 HA LEU 42 HA LEU 42 -0.509 0.133 8.888 314 1HB LEU 42 2HB LEU 42 -1.417 -2.175 10.569 315 2HB LEU 42 1HB LEU 42 -0.729 -0.771 11.380 316 HG LEU 42 HG LEU 42 -2.363 0.692 10.239 317 1HD1 LEU 42 1HD1 LEU 42 -4.228 -0.495 8.992 318 2HD1 LEU 42 2HD1 LEU 42 -3.181 -1.919 8.985 319 3HD1 LEU 42 3HD1 LEU 42 -2.660 -0.434 8.182 320 1HD2 LEU 42 1HD2 LEU 42 -4.494 -0.407 11.210 321 2HD2 LEU 42 2HD2 LEU 42 -3.178 -0.074 12.338 322 3HD2 LEU 42 3HD2 LEU 42 -3.428 -1.711 11.731 323 H GLY 43 H GLY 43 0.912 -2.893 10.138 324 1HA GLY 43 2HA GLY 43 3.562 -1.514 10.200 325 2HA GLY 43 1HA GLY 43 3.001 -2.410 11.609 326 H HIS 44 H HIS 44 2.330 -3.476 8.334 327 HA HIS 44 HA HIS 44 4.178 -5.794 8.814 328 1HB HIS 44 2HB HIS 44 1.853 -5.889 6.906 329 2HB HIS 44 1HB HIS 44 2.668 -7.219 7.730 330 HD1 HIS 44 1HD HIS 44 1.482 -8.076 9.749 331 HD2 HIS 44 2HD HIS 44 0.466 -4.123 8.923 332 HE1 HIS 44 1HE HIS 44 -0.274 -7.420 11.452 333 H ARG 45 H ARG 45 3.962 -6.798 6.179 334 HA ARG 45 HA ARG 45 5.523 -4.731 4.666 335 1HB ARG 45 2HB ARG 45 7.001 -6.531 5.158 336 2HB ARG 45 1HB ARG 45 5.766 -7.742 4.817 337 1HG ARG 45 2HG ARG 45 5.908 -7.409 2.486 338 2HG ARG 45 1HG ARG 45 6.712 -5.850 2.666 339 1HD ARG 45 2HD ARG 45 7.940 -8.491 3.502 340 2HD ARG 45 1HD ARG 45 8.260 -7.698 1.960 341 HE ARG 45 HE ARG 45 8.821 -5.740 3.837 342 1HH1 ARG 45 1HH2 ARG 45 9.752 -9.012 3.279 343 2HH1 ARG 45 2HH2 ARG 45 11.329 -8.820 3.966 344 1HH2 ARG 45 1HH1 ARG 45 10.876 -5.471 4.738 345 2HH2 ARG 45 2HH1 ARG 45 11.967 -6.815 4.792 346 H HIS 46 H HIS 46 5.029 -4.457 2.453 347 HA HIS 46 HA HIS 46 2.544 -5.853 1.528 348 1HB HIS 46 2HB HIS 46 2.293 -3.783 0.040 349 2HB HIS 46 1HB HIS 46 1.974 -3.568 1.755 350 HD1 HIS 46 1HD HIS 46 3.741 -2.240 3.150 351 HD2 HIS 46 2HD HIS 46 4.642 -2.504 -0.913 352 HE1 HIS 46 1HE HIS 46 5.610 -0.586 2.722 353 H TYR 47 H TYR 47 2.398 -5.940 -0.882 354 HA TYR 47 HA TYR 47 5.081 -6.284 -2.156 355 1HB TYR 47 2HB TYR 47 2.731 -8.152 -2.493 356 2HB TYR 47 1HB TYR 47 4.381 -8.413 -3.021 357 HD1 TYR 47 1HD TYR 47 5.869 -9.580 -1.607 358 HD2 TYR 47 2HD TYR 47 2.405 -7.689 0.089 359 HE1 TYR 47 1HE TYR 47 6.445 -10.485 0.630 360 HE2 TYR 47 2HE TYR 47 2.997 -8.594 2.311 361 HH TYR 47 HH TYR 47 4.316 -10.072 3.402 362 H GLU 48 H GLU 48 5.183 -5.494 -4.251 363 HA GLU 48 HA GLU 48 2.698 -4.196 -5.285 364 1HB GLU 48 2HB GLU 48 5.635 -3.629 -5.588 365 2HB GLU 48 1HB GLU 48 4.481 -2.994 -6.763 366 1HG GLU 48 2HG GLU 48 3.318 -1.750 -5.108 367 2HG GLU 48 1HG GLU 48 4.105 -2.617 -3.789 368 H ARG 49 H ARG 49 2.074 -4.405 -7.428 369 HA ARG 49 HA ARG 49 3.584 -6.172 -9.240 370 1HB ARG 49 2HB ARG 49 2.263 -7.785 -7.974 371 2HB ARG 49 1HB ARG 49 0.800 -6.872 -8.289 372 1HG ARG 49 2HG ARG 49 2.222 -7.467 -10.771 373 2HG ARG 49 1HG ARG 49 1.821 -8.939 -9.884 374 1HD ARG 49 2HD ARG 49 -0.487 -8.468 -9.910 375 2HD ARG 49 1HD ARG 49 -0.232 -6.770 -10.282 376 HE ARG 49 HE ARG 49 0.819 -8.109 -12.475 377 1HH1 ARG 49 1HH2 ARG 49 -2.157 -8.070 -10.735 378 2HH1 ARG 49 2HH2 ARG 49 -3.127 -8.446 -12.121 379 1HH2 ARG 49 1HH1 ARG 49 -0.430 -8.599 -14.295 380 2HH2 ARG 49 2HH1 ARG 49 -2.149 -8.746 -14.137 381 H LYS 50 H LYS 50 3.403 -5.333 -11.237 382 HA LYS 50 HA LYS 50 2.670 -3.996 -12.999 383 1HB LYS 50 2HB LYS 50 0.149 -5.208 -11.892 384 2HB LYS 50 1HB LYS 50 0.046 -4.025 -13.193 385 1HG LYS 50 2HG LYS 50 1.979 -6.312 -13.453 386 2HG LYS 50 1HG LYS 50 0.266 -6.595 -13.759 387 1HD LYS 50 2HD LYS 50 0.257 -4.728 -15.392 388 2HD LYS 50 1HD LYS 50 1.986 -4.503 -15.123 389 1HE LYS 50 2HE LYS 50 1.952 -5.873 -17.026 390 2HE LYS 50 1HE LYS 50 2.155 -7.046 -15.724 391 1HZ LYS 50 1HZ LYS 50 0.374 -7.526 -17.436 392 2HZ LYS 50 2HZ LYS 50 -0.516 -6.263 -16.728 393 3HZ LYS 50 3HZ LYS 50 -0.093 -7.629 -15.809 394 H GLY 51 H GLY 51 3.007 -2.825 -10.271 395 1HA GLY 51 2HA GLY 51 2.878 -0.563 -9.570 396 2HA GLY 51 1HA GLY 51 1.812 -0.246 -10.936 397 H LEU 52 H LEU 52 1.276 -2.842 -8.684 398 HA LEU 52 HA LEU 52 -0.849 -1.302 -7.305 399 1HB LEU 52 2HB LEU 52 -1.232 -3.776 -8.970 400 2HB LEU 52 1HB LEU 52 -2.294 -3.464 -7.601 401 HG LEU 52 HG LEU 52 -1.791 -1.549 -9.895 402 1HD1 LEU 52 1HD1 LEU 52 -4.279 -2.137 -10.310 403 2HD1 LEU 52 2HD1 LEU 52 -3.970 -3.548 -9.297 404 3HD1 LEU 52 3HD1 LEU 52 -3.064 -3.321 -10.795 405 1HD2 LEU 52 1HD2 LEU 52 -4.104 -0.761 -8.648 406 2HD2 LEU 52 2HD2 LEU 52 -2.516 -0.077 -8.302 407 3HD2 LEU 52 3HD2 LEU 52 -3.167 -1.352 -7.271 408 H ALA 53 H ALA 53 -1.143 -1.962 -5.194 409 HA ALA 53 HA ALA 53 0.975 -3.608 -4.082 410 1HB ALA 53 1HB ALA 53 -1.453 -2.277 -2.874 411 2HB ALA 53 2HB ALA 53 0.232 -1.763 -2.744 412 3HB ALA 53 3HB ALA 53 -0.312 -3.227 -1.917 413 H TYR 54 H TYR 54 0.706 -5.547 -2.891 414 HA TYR 54 HA TYR 54 -1.875 -6.932 -2.990 415 1HB TYR 54 2HB TYR 54 0.545 -7.836 -4.545 416 2HB TYR 54 1HB TYR 54 -0.693 -8.966 -4.016 417 HD1 TYR 54 1HD TYR 54 0.166 -6.309 -6.307 418 HD2 TYR 54 2HD TYR 54 -3.046 -8.701 -4.786 419 HE1 TYR 54 1HE TYR 54 -1.218 -5.649 -8.220 420 HE2 TYR 54 2HE TYR 54 -4.461 -8.010 -6.727 421 HH TYR 54 HH TYR 54 -3.124 -6.111 -9.380 422 H CYS 55 H CYS 55 -2.004 -8.409 -1.269 423 HA CYS 55 HA CYS 55 -0.118 -8.177 0.821 424 1HB CYS 55 2HB CYS 55 -2.046 -10.436 0.186 425 2HB CYS 55 1HB CYS 55 -1.113 -10.350 1.676 426 H GLU 56 H GLU 56 1.018 -10.370 1.642 427 HA GLU 56 HA GLU 56 3.116 -10.999 -0.215 428 1HB GLU 56 2HB GLU 56 3.247 -11.203 2.313 429 2HB GLU 56 1HB GLU 56 2.267 -12.656 2.177 430 1HG GLU 56 2HG GLU 56 3.937 -13.813 0.964 431 2HG GLU 56 1HG GLU 56 4.817 -12.331 0.595 432 H THR 57 H THR 57 0.119 -12.624 0.687 433 HA THR 57 HA THR 57 0.718 -14.956 -0.986 434 HB THR 57 HB THR 57 -1.729 -14.193 0.620 435 HG1 THR 57 1HG THR 57 0.242 -16.189 1.018 436 1HG2 THR 57 1HG2 THR 57 -1.083 -16.630 -1.044 437 2HG2 THR 57 2HG2 THR 57 -2.514 -15.604 -1.130 438 3HG2 THR 57 3HG2 THR 57 -2.273 -16.667 0.256 439 H HIS 58 H HIS 58 -1.567 -12.214 -1.124 440 HA HIS 58 HA HIS 58 -2.824 -13.179 -3.510 441 1HB HIS 58 2HB HIS 58 -2.631 -10.368 -2.405 442 2HB HIS 58 1HB HIS 58 -3.700 -10.868 -3.712 443 HD2 HIS 58 2HD HIS 58 -4.778 -13.698 -2.401 444 HE1 HIS 58 1HE HIS 58 -6.073 -11.321 0.837 445 HE2 HIS 58 2HE HIS 58 -6.315 -13.576 -0.300 446 H TYR 59 H TYR 59 -0.148 -10.928 -2.900 447 HA TYR 59 HA TYR 59 0.365 -10.160 -5.546 448 1HB TYR 59 2HB TYR 59 1.671 -9.252 -3.710 449 2HB TYR 59 1HB TYR 59 2.253 -10.843 -3.269 450 HD1 TYR 59 1HD TYR 59 1.864 -9.542 -6.723 451 HD2 TYR 59 2HD TYR 59 4.606 -10.561 -3.579 452 HE1 TYR 59 1HE TYR 59 3.732 -9.326 -8.285 453 HE2 TYR 59 2HE TYR 59 6.497 -10.321 -5.159 454 HH TYR 59 HH TYR 59 6.097 -8.952 -8.310 455 H ASN 60 H ASN 60 1.709 -12.826 -3.681 456 HA ASN 60 HA ASN 60 2.941 -14.095 -5.894 457 1HB ASN 60 2HB ASN 60 2.107 -15.079 -3.171 458 2HB ASN 60 1HB ASN 60 2.836 -16.163 -4.353 459 1HD2 ASN 60 1HD2 ASN 60 3.449 -13.224 -2.425 460 2HD2 ASN 60 2HD2 ASN 60 5.139 -13.286 -2.565 461 H GLN 61 H GLN 61 -0.217 -14.622 -4.323 462 HA GLN 61 HA GLN 61 -1.063 -16.805 -5.937 463 1HB GLN 61 2HB GLN 61 -2.344 -15.616 -3.991 464 2HB GLN 61 1HB GLN 61 -2.944 -14.543 -5.255 465 1HG GLN 61 2HG GLN 61 -3.866 -16.437 -6.479 466 2HG GLN 61 1HG GLN 61 -3.183 -17.563 -5.307 467 1HE2 GLN 61 1HE2 GLN 61 -4.292 -17.841 -3.291 468 2HE2 GLN 61 2HE2 GLN 61 -5.773 -17.088 -2.945 469 H LEU 62 H LEU 62 -0.850 -13.388 -6.501 470 HA LEU 62 HA LEU 62 -2.068 -13.481 -9.153 471 1HB LEU 62 2HB LEU 62 -0.792 -11.419 -7.409 472 2HB LEU 62 1HB LEU 62 -0.774 -11.115 -9.140 473 HG LEU 62 HG LEU 62 -3.338 -11.761 -8.958 474 1HD1 LEU 62 1HD1 LEU 62 -2.704 -10.734 -6.181 475 2HD1 LEU 62 2HD1 LEU 62 -3.220 -12.379 -6.565 476 3HD1 LEU 62 3HD1 LEU 62 -4.316 -11.026 -6.833 477 1HD2 LEU 62 1HD2 LEU 62 -2.609 -9.602 -9.722 478 2HD2 LEU 62 2HD2 LEU 62 -2.094 -9.150 -8.096 479 3HD2 LEU 62 3HD2 LEU 62 -3.812 -9.335 -8.459 480 H PHE 63 H PHE 63 1.182 -13.482 -7.791 481 HA PHE 63 HA PHE 63 2.252 -14.552 -10.303 482 1HB PHE 63 2HB PHE 63 2.748 -11.744 -9.388 483 2HB PHE 63 1HB PHE 63 4.075 -12.621 -10.147 484 HD1 PHE 63 1HD PHE 63 0.837 -11.030 -10.639 485 HD2 PHE 63 2HD PHE 63 3.838 -13.496 -12.468 486 HE1 PHE 63 1HE PHE 63 -0.166 -10.601 -12.870 487 HE2 PHE 63 2HE PHE 63 2.839 -13.064 -14.697 488 HZ PHE 63 HZ PHE 63 0.836 -11.616 -14.897 489 H GLY 64 H GLY 64 4.023 -12.692 -7.918 490 1HA GLY 64 2HA GLY 64 5.317 -13.479 -6.060 491 2HA GLY 64 1HA GLY 64 4.914 -15.135 -6.513 492 H ASP 65 H ASP 65 5.691 -13.953 -9.366 493 HA ASP 65 HA ASP 65 7.576 -14.237 -10.743 494 1HB ASP 65 2HB ASP 65 8.179 -12.157 -9.450 495 2HB ASP 65 1HB ASP 65 9.059 -13.185 -8.318 496 H VAL 66 H VAL 66 6.914 -16.644 -9.882 497 HA VAL 66 HA VAL 66 8.984 -17.921 -8.271 498 HB VAL 66 HB VAL 66 6.717 -18.828 -8.262 499 1HG1 VAL 66 1HG1 VAL 66 7.183 -19.365 -11.213 500 2HG1 VAL 66 2HG1 VAL 66 6.116 -18.119 -10.565 501 3HG1 VAL 66 3HG1 VAL 66 5.751 -19.822 -10.290 502 1HG2 VAL 66 1HG2 VAL 66 8.460 -20.771 -9.793 503 2HG2 VAL 66 2HG2 VAL 66 7.265 -21.137 -8.550 504 3HG2 VAL 66 3HG2 VAL 66 8.779 -20.344 -8.112 Start of MODEL 13 1 1H GLY 1 1HT GLY 1 6.462 26.758 4.074 2 2H GLY 1 2HT GLY 1 5.377 25.940 3.054 3 3H GLY 1 3HT GLY 1 4.791 26.960 4.280 4 1HA GLY 1 2HA GLY 1 4.826 28.696 2.932 5 2HA GLY 1 1HA GLY 1 6.547 28.430 2.649 6 H SER 2 H SER 2 4.991 25.612 1.851 7 HA SER 2 HA SER 2 3.890 26.235 -0.727 8 1HB SER 2 2HB SER 2 5.792 25.180 -2.058 9 2HB SER 2 1HB SER 2 6.109 26.793 -1.427 10 HG SER 2 HG SER 2 6.731 24.607 0.190 11 H MET 3 H MET 3 4.211 23.968 -2.129 12 HA MET 3 HA MET 3 2.641 22.035 -0.858 13 1HB MET 3 2HB MET 3 4.786 21.538 -2.948 14 2HB MET 3 1HB MET 3 3.449 20.453 -2.567 15 1HG MET 3 2HG MET 3 1.828 21.990 -3.386 16 2HG MET 3 1HG MET 3 2.991 23.316 -3.416 17 1HE MET 3 1HE MET 3 3.987 19.611 -4.700 18 2HE MET 3 2HE MET 3 2.917 19.614 -6.098 19 3HE MET 3 3HE MET 3 2.245 19.829 -4.483 20 H GLY 4 H GLY 4 3.045 20.411 0.605 21 1HA GLY 4 2HA GLY 4 5.728 19.363 1.046 22 2HA GLY 4 1HA GLY 4 5.178 20.402 2.361 23 H VAL 5 H VAL 5 2.479 19.762 2.483 24 HA VAL 5 HA VAL 5 2.526 17.301 3.946 25 HB VAL 5 HB VAL 5 0.411 19.214 3.042 26 1HG1 VAL 5 1HG1 VAL 5 -0.043 16.333 3.794 27 2HG1 VAL 5 2HG1 VAL 5 -0.810 17.281 2.518 28 3HG1 VAL 5 3HG1 VAL 5 -1.228 17.563 4.211 29 1HG2 VAL 5 1HG2 VAL 5 1.241 17.962 5.672 30 2HG2 VAL 5 2HG2 VAL 5 -0.185 18.990 5.496 31 3HG2 VAL 5 3HG2 VAL 5 1.426 19.647 5.179 32 HA PRO 6 HA PRO 6 2.021 14.581 0.456 33 1HB PRO 6 2HB PRO 6 1.616 12.332 2.131 34 2HB PRO 6 1HB PRO 6 3.157 12.858 1.447 35 1HG PRO 6 2HG PRO 6 2.323 12.978 4.214 36 2HG PRO 6 1HG PRO 6 3.880 13.426 3.515 37 1HD PRO 6 2HD PRO 6 1.754 15.167 4.445 38 2HD PRO 6 1HD PRO 6 3.365 15.599 3.871 39 H ILE 7 H ILE 7 0.317 13.106 -0.287 40 HA ILE 7 HA ILE 7 -2.232 13.430 1.205 41 HB ILE 7 HB ILE 7 -1.671 14.207 -1.651 42 1HG1 ILE 7 2HG1 ILE 7 -3.231 15.467 0.607 43 2HG1 ILE 7 1HG1 ILE 7 -1.547 15.825 0.275 44 1HG2 ILE 7 1HG2 ILE 7 -4.244 14.406 -1.744 45 2HG2 ILE 7 2HG2 ILE 7 -4.251 13.300 -0.370 46 3HG2 ILE 7 3HG2 ILE 7 -3.561 12.788 -1.909 47 1HD1 ILE 7 1HD1 ILE 7 -3.634 16.127 -1.872 48 2HD1 ILE 7 2HD1 ILE 7 -2.060 16.915 -1.739 49 3HD1 ILE 7 3HD1 ILE 7 -3.385 17.401 -0.675 50 H CYS 8 H CYS 8 -3.051 11.529 1.553 51 HA CYS 8 HA CYS 8 -2.026 9.124 0.538 52 1HB CYS 8 2HB CYS 8 -3.254 9.094 2.587 53 2HB CYS 8 1HB CYS 8 -4.679 9.772 1.813 54 H GLY 9 H GLY 9 -2.116 8.388 -1.463 55 1HA GLY 9 2HA GLY 9 -3.821 9.430 -3.494 56 2HA GLY 9 1HA GLY 9 -2.883 7.944 -3.632 57 H ALA 10 H ALA 10 -4.634 7.562 -0.896 58 HA ALA 10 HA ALA 10 -6.567 5.823 -2.271 59 1HB ALA 10 1HB ALA 10 -6.824 4.750 -0.239 60 2HB ALA 10 2HB ALA 10 -6.633 6.237 0.690 61 3HB ALA 10 3HB ALA 10 -5.221 5.439 0.004 62 H CYS 11 H CYS 11 -6.785 8.408 0.175 63 HA CYS 11 HA CYS 11 -9.577 8.929 -0.760 64 1HB CYS 11 2HB CYS 11 -9.591 10.293 1.470 65 2HB CYS 11 1HB CYS 11 -9.678 8.533 1.555 66 H ARG 12 H ARG 12 -6.553 9.998 -1.381 67 HA ARG 12 HA ARG 12 -5.665 12.024 -2.133 68 1HB ARG 12 2HB ARG 12 -8.608 12.292 -2.760 69 2HB ARG 12 1HB ARG 12 -7.482 13.597 -3.129 70 1HG ARG 12 2HG ARG 12 -6.787 10.810 -4.004 71 2HG ARG 12 1HG ARG 12 -7.990 11.711 -4.925 72 1HD ARG 12 2HD ARG 12 -5.331 12.949 -4.220 73 2HD ARG 12 1HD ARG 12 -5.516 11.935 -5.650 74 HE ARG 12 HE ARG 12 -7.586 13.763 -5.866 75 1HH1 ARG 12 1HH2 ARG 12 -4.174 13.890 -5.391 76 2HH1 ARG 12 2HH2 ARG 12 -3.982 15.405 -6.209 77 1HH2 ARG 12 1HH1 ARG 12 -7.356 15.740 -6.938 78 2HH2 ARG 12 2HH1 ARG 12 -5.784 16.452 -7.085 79 H ARG 13 H ARG 13 -6.056 11.808 0.629 80 HA ARG 13 HA ARG 13 -6.936 14.567 1.378 81 1HB ARG 13 2HB ARG 13 -7.103 11.927 2.804 82 2HB ARG 13 1HB ARG 13 -7.007 13.413 3.747 83 1HG ARG 13 2HG ARG 13 -8.953 14.301 2.462 84 2HG ARG 13 1HG ARG 13 -9.088 12.743 1.647 85 1HD ARG 13 2HD ARG 13 -8.998 11.988 4.291 86 2HD ARG 13 1HD ARG 13 -9.880 13.510 4.389 87 HE ARG 13 HE ARG 13 -11.049 11.104 3.603 88 1HH1 ARG 13 1HH2 ARG 13 -10.522 14.210 2.179 89 2HH1 ARG 13 2HH2 ARG 13 -11.854 14.071 1.084 90 1HH2 ARG 13 1HH1 ARG 13 -12.786 10.924 2.188 91 2HH2 ARG 13 2HH1 ARG 13 -13.136 12.218 1.091 92 HA PRO 14 HA PRO 14 -2.728 15.423 2.328 93 1HB PRO 14 2HB PRO 14 -3.408 16.964 4.679 94 2HB PRO 14 1HB PRO 14 -2.893 17.548 3.094 95 1HG PRO 14 2HG PRO 14 -5.510 17.709 4.208 96 2HG PRO 14 1HG PRO 14 -4.986 18.199 2.588 97 1HD PRO 14 2HD PRO 14 -6.617 15.913 3.305 98 2HD PRO 14 1HD PRO 14 -6.115 16.444 1.686 99 H ILE 15 H ILE 15 -1.561 13.744 3.138 100 HA ILE 15 HA ILE 15 -2.412 12.274 5.496 101 HB ILE 15 HB ILE 15 0.243 12.261 4.019 102 1HG1 ILE 15 2HG1 ILE 15 -1.780 10.058 3.936 103 2HG1 ILE 15 1HG1 ILE 15 -2.084 11.502 2.975 104 1HG2 ILE 15 1HG2 ILE 15 0.267 9.903 5.171 105 2HG2 ILE 15 2HG2 ILE 15 -0.856 10.647 6.308 106 3HG2 ILE 15 3HG2 ILE 15 0.760 11.317 6.106 107 1HD1 ILE 15 1HD1 ILE 15 -0.657 9.452 2.010 108 2HD1 ILE 15 2HD1 ILE 15 0.652 10.312 2.825 109 3HD1 ILE 15 3HD1 ILE 15 -0.290 11.121 1.577 110 H GLU 16 H GLU 16 -1.139 12.165 7.549 111 HA GLU 16 HA GLU 16 0.718 14.372 8.088 112 1HB GLU 16 2HB GLU 16 -0.851 15.200 9.999 113 2HB GLU 16 1HB GLU 16 -1.171 15.737 8.349 114 1HG GLU 16 2HG GLU 16 -2.958 14.208 8.073 115 2HG GLU 16 1HG GLU 16 -2.472 13.259 9.478 116 H GLY 17 H GLY 17 1.531 11.960 8.424 117 1HA GLY 17 2HA GLY 17 2.087 11.653 11.212 118 2HA GLY 17 1HA GLY 17 0.871 10.466 10.730 119 H ARG 18 H ARG 18 1.506 8.721 9.572 120 HA ARG 18 HA ARG 18 4.375 8.603 8.723 121 1HB ARG 18 2HB ARG 18 2.502 6.464 9.754 122 2HB ARG 18 1HB ARG 18 3.979 6.074 8.867 123 1HG ARG 18 2HG ARG 18 5.215 7.547 10.543 124 2HG ARG 18 1HG ARG 18 3.734 7.533 11.497 125 1HD ARG 18 2HD ARG 18 4.063 4.861 10.917 126 2HD ARG 18 1HD ARG 18 5.731 5.399 11.097 127 HE ARG 18 HE ARG 18 4.049 4.856 13.253 128 1HH1 ARG 18 1HH2 ARG 18 5.770 7.603 12.053 129 2HH1 ARG 18 2HH2 ARG 18 5.871 8.370 13.600 130 1HH2 ARG 18 1HH1 ARG 18 4.187 5.845 15.268 131 2HH2 ARG 18 2HH1 ARG 18 4.981 7.377 15.417 132 H VAL 19 H VAL 19 4.562 8.675 6.576 133 HA VAL 19 HA VAL 19 2.170 8.120 4.908 134 HB VAL 19 HB VAL 19 4.832 9.352 4.150 135 1HG1 VAL 19 1HG1 VAL 19 3.981 8.861 2.076 136 2HG1 VAL 19 2HG1 VAL 19 3.005 10.300 2.380 137 3HG1 VAL 19 3HG1 VAL 19 2.330 8.700 2.678 138 1HG2 VAL 19 1HG2 VAL 19 2.267 10.876 4.455 139 2HG2 VAL 19 2HG2 VAL 19 3.928 11.455 4.585 140 3HG2 VAL 19 3HG2 VAL 19 3.218 10.516 5.895 141 H VAL 20 H VAL 20 2.374 6.889 2.938 142 HA VAL 20 HA VAL 20 4.587 4.876 2.991 143 HB VAL 20 HB VAL 20 1.632 4.514 2.527 144 1HG1 VAL 20 1HG1 VAL 20 2.366 3.441 0.586 145 2HG1 VAL 20 2HG1 VAL 20 2.479 2.127 1.756 146 3HG1 VAL 20 3HG1 VAL 20 3.928 3.020 1.290 147 1HG2 VAL 20 1HG2 VAL 20 1.899 2.713 4.096 148 2HG2 VAL 20 2HG2 VAL 20 2.777 4.093 4.755 149 3HG2 VAL 20 3HG2 VAL 20 3.657 2.786 3.969 150 H ASN 21 H ASN 21 5.842 5.283 1.237 151 HA ASN 21 HA ASN 21 4.675 6.739 -1.044 152 1HB ASN 21 2HB ASN 21 7.485 5.886 -0.362 153 2HB ASN 21 1HB ASN 21 7.068 6.685 -1.874 154 1HD2 ASN 21 1HD2 ASN 21 4.933 7.859 0.409 155 2HD2 ASN 21 2HD2 ASN 21 5.780 9.250 0.887 156 H ALA 22 H ALA 22 3.534 5.440 -2.387 157 HA ALA 22 HA ALA 22 4.956 3.144 -3.616 158 1HB ALA 22 1HB ALA 22 3.162 1.603 -3.239 159 2HB ALA 22 2HB ALA 22 2.114 2.876 -2.611 160 3HB ALA 22 3HB ALA 22 3.506 2.335 -1.671 161 H MET 23 H MET 23 3.901 2.506 -5.675 162 HA MET 23 HA MET 23 2.930 3.081 -7.730 163 1HB MET 23 2HB MET 23 1.015 4.795 -6.145 164 2HB MET 23 1HB MET 23 0.719 3.968 -7.671 165 1HG MET 23 2HG MET 23 1.373 2.426 -5.158 166 2HG MET 23 1HG MET 23 -0.277 2.909 -5.536 167 1HE MET 23 1HE MET 23 1.347 -0.908 -6.551 168 2HE MET 23 2HE MET 23 0.344 -0.245 -5.260 169 3HE MET 23 3HE MET 23 2.001 0.319 -5.456 170 H GLY 24 H GLY 24 4.809 4.869 -6.115 171 1HA GLY 24 2HA GLY 24 5.998 6.848 -6.609 172 2HA GLY 24 1HA GLY 24 5.038 6.969 -8.086 173 H LYS 25 H LYS 25 3.543 6.588 -4.997 174 HA LYS 25 HA LYS 25 2.712 9.463 -4.966 175 1HB LYS 25 2HB LYS 25 0.956 7.013 -4.613 176 2HB LYS 25 1HB LYS 25 0.429 8.669 -4.341 177 1HG LYS 25 2HG LYS 25 1.592 8.731 -6.892 178 2HG LYS 25 1HG LYS 25 0.699 7.211 -6.853 179 1HD LYS 25 2HD LYS 25 -0.921 8.753 -7.575 180 2HD LYS 25 1HD LYS 25 -1.241 8.630 -5.851 181 1HE LYS 25 2HE LYS 25 -1.222 10.959 -6.272 182 2HE LYS 25 1HE LYS 25 0.374 10.630 -5.598 183 1HZ LYS 25 1HZ LYS 25 0.083 10.389 -8.488 184 2HZ LYS 25 2HZ LYS 25 1.387 10.978 -7.570 185 3HZ LYS 25 3HZ LYS 25 0.026 11.958 -7.847 186 H GLN 26 H GLN 26 0.943 9.002 -2.787 187 HA GLN 26 HA GLN 26 2.707 8.095 -0.563 188 1HB GLN 26 2HB GLN 26 1.316 10.757 -0.932 189 2HB GLN 26 1HB GLN 26 1.720 10.161 0.673 190 1HG GLN 26 2HG GLN 26 3.984 10.458 0.366 191 2HG GLN 26 1HG GLN 26 3.912 10.011 -1.334 192 1HE2 GLN 26 1HE2 GLN 26 1.521 12.327 -0.847 193 2HE2 GLN 26 2HE2 GLN 26 2.404 13.708 -1.283 194 H TRP 27 H TRP 27 1.419 7.062 1.097 195 HA TRP 27 HA TRP 27 -1.541 7.153 0.680 196 1HB TRP 27 2HB TRP 27 0.087 4.615 0.948 197 2HB TRP 27 1HB TRP 27 -1.659 4.719 0.742 198 HD1 TRP 27 HD TRP 27 1.626 5.325 -1.142 199 HE1 TRP 27 1HE TRP 27 1.125 5.366 -3.672 200 HE3 TRP 27 3HE TRP 27 -3.448 5.070 -1.019 201 HZ2 TRP 27 2HZ TRP 27 -1.152 5.298 -5.412 202 HZ3 TRP 27 3HZ TRP 27 -4.768 5.059 -3.105 203 HH2 TRP 27 HH TRP 27 -3.630 5.175 -5.306 204 H HIS 28 H HIS 28 -2.720 7.022 2.608 205 HA HIS 28 HA HIS 28 -1.383 7.446 5.102 206 1HB HIS 28 2HB HIS 28 -4.139 6.393 4.423 207 2HB HIS 28 1HB HIS 28 -3.581 6.458 6.089 208 HD2 HIS 28 2HD HIS 28 -2.594 9.283 6.704 209 HE1 HIS 28 1HE HIS 28 -5.573 10.900 4.185 210 HE2 HIS 28 2HE HIS 28 -3.906 11.437 6.026 211 H VAL 29 H VAL 29 -0.527 5.927 6.552 212 HA VAL 29 HA VAL 29 0.297 3.406 5.588 213 HB VAL 29 HB VAL 29 0.050 4.595 8.346 214 1HG1 VAL 29 1HG1 VAL 29 1.413 2.530 9.059 215 2HG1 VAL 29 2HG1 VAL 29 0.814 1.773 7.583 216 3HG1 VAL 29 3HG1 VAL 29 -0.321 2.300 8.825 217 1HG2 VAL 29 1HG2 VAL 29 1.840 5.172 6.551 218 2HG2 VAL 29 2HG2 VAL 29 2.505 3.578 6.921 219 3HG2 VAL 29 3HG2 VAL 29 2.389 4.796 8.185 220 H GLU 30 H GLU 30 -2.730 4.429 6.879 221 HA GLU 30 HA GLU 30 -3.563 1.655 7.460 222 1HB GLU 30 2HB GLU 30 -5.726 2.805 8.161 223 2HB GLU 30 1HB GLU 30 -4.296 3.209 9.112 224 1HG GLU 30 2HG GLU 30 -4.038 5.310 8.038 225 2HG GLU 30 1HG GLU 30 -5.142 4.867 6.734 226 H HIS 31 H HIS 31 -3.798 3.983 4.900 227 HA HIS 31 HA HIS 31 -6.100 2.506 3.707 228 1HB HIS 31 2HB HIS 31 -4.789 5.110 2.861 229 2HB HIS 31 1HB HIS 31 -6.173 4.366 2.066 230 HD2 HIS 31 2HD HIS 31 -7.502 3.526 5.172 231 HE1 HIS 31 1HE HIS 31 -8.004 7.708 5.373 232 HE2 HIS 31 2HE HIS 31 -8.723 5.491 6.371 233 H PHE 32 H PHE 32 -2.738 2.445 3.610 234 HA PHE 32 HA PHE 32 -2.601 1.747 0.753 235 1HB PHE 32 2HB PHE 32 -0.651 2.826 2.033 236 2HB PHE 32 1HB PHE 32 -0.426 1.255 2.804 237 HD1 PHE 32 1HD PHE 32 1.176 -0.115 1.799 238 HD2 PHE 32 2HD PHE 32 -1.134 2.534 -0.667 239 HE1 PHE 32 1HE PHE 32 2.333 -0.975 -0.214 240 HE2 PHE 32 2HE PHE 32 0.028 1.680 -2.673 241 HZ PHE 32 HZ PHE 32 1.766 -0.075 -2.451 242 H VAL 33 H VAL 33 -3.728 -0.068 0.369 243 HA VAL 33 HA VAL 33 -3.151 -2.459 2.069 244 HB VAL 33 HB VAL 33 -5.461 -3.153 1.665 245 1HG1 VAL 33 1HG1 VAL 33 -4.726 -0.709 3.083 246 2HG1 VAL 33 2HG1 VAL 33 -5.850 -1.987 3.558 247 3HG1 VAL 33 3HG1 VAL 33 -6.403 -0.662 2.540 248 1HG2 VAL 33 1HG2 VAL 33 -7.004 -1.514 0.528 249 2HG2 VAL 33 2HG2 VAL 33 -5.797 -2.221 -0.547 250 3HG2 VAL 33 3HG2 VAL 33 -5.581 -0.580 0.067 251 H CYS 34 H CYS 34 -3.957 -4.462 0.888 252 HA CYS 34 HA CYS 34 -2.420 -4.849 -1.506 253 1HB CYS 34 2HB CYS 34 -2.729 -6.747 -0.196 254 2HB CYS 34 1HB CYS 34 -4.438 -6.435 0.052 255 H ALA 35 H ALA 35 -3.173 -5.163 -3.656 256 HA ALA 35 HA ALA 35 -5.673 -3.701 -4.260 257 1HB ALA 35 1HB ALA 35 -3.766 -4.870 -6.276 258 2HB ALA 35 2HB ALA 35 -3.373 -3.380 -5.416 259 3HB ALA 35 3HB ALA 35 -4.811 -3.460 -6.440 260 H LYS 36 H LYS 36 -5.582 -6.519 -3.140 261 HA LYS 36 HA LYS 36 -7.295 -7.776 -5.247 262 1HB LYS 36 2HB LYS 36 -5.114 -8.943 -5.217 263 2HB LYS 36 1HB LYS 36 -5.276 -9.211 -3.488 264 1HG LYS 36 2HG LYS 36 -5.931 -11.212 -4.775 265 2HG LYS 36 1HG LYS 36 -7.295 -10.560 -3.871 266 1HD LYS 36 2HD LYS 36 -8.344 -9.732 -5.789 267 2HD LYS 36 1HD LYS 36 -6.837 -9.657 -6.703 268 1HE LYS 36 2HE LYS 36 -8.346 -11.521 -7.434 269 2HE LYS 36 1HE LYS 36 -6.766 -12.079 -6.883 270 1HZ LYS 36 1HZ LYS 36 -7.754 -12.514 -4.699 271 2HZ LYS 36 2HZ LYS 36 -8.495 -13.428 -5.926 272 3HZ LYS 36 3HZ LYS 36 -9.274 -12.056 -5.294 273 H CYS 37 H CYS 37 -6.557 -7.323 -1.840 274 HA CYS 37 HA CYS 37 -9.303 -8.328 -1.189 275 1HB CYS 37 2HB CYS 37 -8.425 -9.420 0.793 276 2HB CYS 37 1HB CYS 37 -7.503 -9.973 -0.604 277 H GLU 38 H GLU 38 -7.011 -5.827 -0.944 278 HA GLU 38 HA GLU 38 -7.077 -3.790 0.137 279 1HB GLU 38 2HB GLU 38 -9.880 -4.592 0.965 280 2HB GLU 38 1HB GLU 38 -9.208 -2.965 0.979 281 1HG GLU 38 2HG GLU 38 -10.367 -2.976 -1.048 282 2HG GLU 38 1HG GLU 38 -8.738 -3.417 -1.562 283 H LYS 39 H LYS 39 -5.745 -5.740 1.475 284 HA LYS 39 HA LYS 39 -6.646 -5.528 4.306 285 1HB LYS 39 2HB LYS 39 -4.903 -7.425 2.803 286 2HB LYS 39 1HB LYS 39 -4.479 -7.110 4.484 287 1HG LYS 39 2HG LYS 39 -7.139 -7.490 4.790 288 2HG LYS 39 1HG LYS 39 -6.874 -8.489 3.365 289 1HD LYS 39 2HD LYS 39 -4.889 -9.496 4.673 290 2HD LYS 39 1HD LYS 39 -5.614 -8.735 6.092 291 1HE LYS 39 2HE LYS 39 -7.704 -9.952 5.716 292 2HE LYS 39 1HE LYS 39 -7.049 -10.663 4.240 293 1HZ LYS 39 1HZ LYS 39 -5.706 -10.995 6.852 294 2HZ LYS 39 2HZ LYS 39 -5.512 -11.916 5.437 295 3HZ LYS 39 3HZ LYS 39 -6.940 -12.045 6.349 296 HA PRO 40 HA PRO 40 -3.678 -2.155 4.232 297 1HB PRO 40 2HB PRO 40 -4.229 -1.543 6.927 298 2HB PRO 40 1HB PRO 40 -4.887 -0.727 5.529 299 1HG PRO 40 2HG PRO 40 -6.219 -2.513 7.364 300 2HG PRO 40 1HG PRO 40 -6.930 -1.608 6.034 301 1HD PRO 40 2HD PRO 40 -6.407 -4.434 6.166 302 2HD PRO 40 1HD PRO 40 -7.082 -3.533 4.798 303 H PHE 41 H PHE 41 -1.617 -2.069 4.796 304 HA PHE 41 HA PHE 41 -0.560 -4.170 6.625 305 1HB PHE 41 2HB PHE 41 1.204 -2.278 5.113 306 2HB PHE 41 1HB PHE 41 1.471 -3.971 5.519 307 HD1 PHE 41 1HD PHE 41 -0.065 -5.714 4.426 308 HD2 PHE 41 2HD PHE 41 0.348 -1.695 3.003 309 HE1 PHE 41 1HE PHE 41 -0.929 -6.412 2.207 310 HE2 PHE 41 2HE PHE 41 -0.511 -2.383 0.780 311 HZ PHE 41 HZ PHE 41 -1.140 -4.747 0.380 312 H LEU 42 H LEU 42 -1.784 -2.533 8.205 313 HA LEU 42 HA LEU 42 -0.901 -0.055 9.006 314 1HB LEU 42 2HB LEU 42 -1.726 -2.483 10.564 315 2HB LEU 42 1HB LEU 42 -1.113 -1.086 11.443 316 HG LEU 42 HG LEU 42 -2.807 0.351 10.387 317 1HD1 LEU 42 1HD1 LEU 42 -3.453 -2.185 8.902 318 2HD1 LEU 42 2HD1 LEU 42 -3.014 -0.606 8.242 319 3HD1 LEU 42 3HD1 LEU 42 -4.588 -0.835 9.010 320 1HD2 LEU 42 1HD2 LEU 42 -3.652 -0.595 12.390 321 2HD2 LEU 42 2HD2 LEU 42 -3.772 -2.204 11.675 322 3HD2 LEU 42 3HD2 LEU 42 -4.907 -0.940 11.197 323 H GLY 43 H GLY 43 0.604 -3.098 10.087 324 1HA GLY 43 2HA GLY 43 3.220 -1.662 10.226 325 2HA GLY 43 1HA GLY 43 2.686 -2.655 11.581 326 H HIS 44 H HIS 44 2.013 -3.507 8.252 327 HA HIS 44 HA HIS 44 3.909 -5.815 8.541 328 1HB HIS 44 2HB HIS 44 1.581 -5.957 6.665 329 2HB HIS 44 1HB HIS 44 2.351 -7.240 7.597 330 HD1 HIS 44 1HD HIS 44 -0.796 -6.108 7.513 331 HD2 HIS 44 2HD HIS 44 1.980 -5.919 10.614 332 HE1 HIS 44 1HE HIS 44 -2.128 -5.842 9.650 333 H ARG 45 H ARG 45 4.646 -6.682 6.374 334 HA ARG 45 HA ARG 45 5.644 -4.452 4.746 335 1HB ARG 45 2HB ARG 45 7.268 -6.128 5.060 336 2HB ARG 45 1HB ARG 45 6.106 -7.430 4.824 337 1HG ARG 45 2HG ARG 45 6.026 -7.073 2.468 338 2HG ARG 45 1HG ARG 45 6.840 -5.515 2.602 339 1HD ARG 45 2HD ARG 45 8.863 -6.729 3.480 340 2HD ARG 45 1HD ARG 45 8.042 -8.247 3.118 341 HE ARG 45 HE ARG 45 7.936 -6.854 0.726 342 1HH1 ARG 45 1HH2 ARG 45 10.376 -7.762 2.987 343 2HH1 ARG 45 2HH2 ARG 45 11.624 -7.888 1.793 344 1HH2 ARG 45 1HH1 ARG 45 9.553 -7.014 -0.847 345 2HH2 ARG 45 2HH1 ARG 45 11.158 -7.465 -0.378 346 H HIS 46 H HIS 46 5.220 -4.231 2.458 347 HA HIS 46 HA HIS 46 2.712 -5.613 1.570 348 1HB HIS 46 2HB HIS 46 2.457 -3.572 0.053 349 2HB HIS 46 1HB HIS 46 2.156 -3.325 1.763 350 HD1 HIS 46 1HD HIS 46 4.093 -2.133 3.152 351 HD2 HIS 46 2HD HIS 46 4.636 -2.148 -0.983 352 HE1 HIS 46 1HE HIS 46 5.916 -0.444 2.663 353 H TYR 47 H TYR 47 2.540 -5.644 -0.855 354 HA TYR 47 HA TYR 47 5.195 -6.039 -2.158 355 1HB TYR 47 2HB TYR 47 2.836 -7.907 -2.439 356 2HB TYR 47 1HB TYR 47 4.477 -8.173 -2.995 357 HD1 TYR 47 1HD TYR 47 6.007 -9.305 -1.593 358 HD2 TYR 47 2HD TYR 47 2.542 -7.444 0.135 359 HE1 TYR 47 1HE TYR 47 6.627 -10.181 0.643 360 HE2 TYR 47 2HE TYR 47 3.178 -8.319 2.357 361 HH TYR 47 HH TYR 47 6.095 -10.331 2.771 362 H GLU 48 H GLU 48 5.255 -5.240 -4.245 363 HA GLU 48 HA GLU 48 2.709 -4.040 -5.271 364 1HB GLU 48 2HB GLU 48 5.576 -3.197 -5.327 365 2HB GLU 48 1HB GLU 48 4.550 -2.722 -6.681 366 1HG GLU 48 2HG GLU 48 2.934 -1.729 -5.108 367 2HG GLU 48 1HG GLU 48 3.965 -2.189 -3.754 368 H ARG 49 H ARG 49 2.021 -4.450 -7.312 369 HA ARG 49 HA ARG 49 3.786 -5.913 -9.182 370 1HB ARG 49 2HB ARG 49 2.597 -7.701 -7.971 371 2HB ARG 49 1HB ARG 49 1.053 -6.955 -8.389 372 1HG ARG 49 2HG ARG 49 1.360 -7.327 -10.712 373 2HG ARG 49 1HG ARG 49 3.069 -7.693 -10.506 374 1HD ARG 49 2HD ARG 49 1.890 -9.593 -8.906 375 2HD ARG 49 1HD ARG 49 0.724 -9.448 -10.216 376 HE ARG 49 HE ARG 49 3.129 -10.870 -10.417 377 1HH1 ARG 49 1HH2 ARG 49 1.636 -8.200 -12.020 378 2HH1 ARG 49 2HH2 ARG 49 2.504 -8.440 -13.495 379 1HH2 ARG 49 1HH1 ARG 49 4.254 -11.194 -12.336 380 2HH2 ARG 49 2HH1 ARG 49 3.981 -10.133 -13.677 381 H LYS 50 H LYS 50 3.380 -5.362 -11.283 382 HA LYS 50 HA LYS 50 2.508 -4.101 -13.047 383 1HB LYS 50 2HB LYS 50 0.148 -5.355 -11.685 384 2HB LYS 50 1HB LYS 50 -0.157 -4.165 -12.949 385 1HG LYS 50 2HG LYS 50 1.860 -6.285 -13.549 386 2HG LYS 50 1HG LYS 50 0.171 -6.785 -13.490 387 1HD LYS 50 2HD LYS 50 0.884 -4.307 -15.028 388 2HD LYS 50 1HD LYS 50 1.221 -5.881 -15.751 389 1HE LYS 50 2HE LYS 50 -1.136 -6.537 -15.427 390 2HE LYS 50 1HE LYS 50 -1.476 -4.964 -14.705 391 1HZ LYS 50 1HZ LYS 50 -0.540 -5.466 -17.478 392 2HZ LYS 50 2HZ LYS 50 -0.748 -3.926 -16.789 393 3HZ LYS 50 3HZ LYS 50 -2.088 -4.948 -17.015 394 H GLY 51 H GLY 51 2.954 -2.854 -10.320 395 1HA GLY 51 2HA GLY 51 2.844 -0.577 -9.665 396 2HA GLY 51 1HA GLY 51 1.771 -0.282 -11.032 397 H LEU 52 H LEU 52 1.246 -2.843 -8.751 398 HA LEU 52 HA LEU 52 -0.911 -1.304 -7.410 399 1HB LEU 52 2HB LEU 52 -1.206 -3.850 -8.985 400 2HB LEU 52 1HB LEU 52 -2.298 -3.504 -7.649 401 HG LEU 52 HG LEU 52 -1.795 -1.675 -10.012 402 1HD1 LEU 52 1HD1 LEU 52 -4.275 -2.348 -10.429 403 2HD1 LEU 52 2HD1 LEU 52 -3.914 -3.724 -9.384 404 3HD1 LEU 52 3HD1 LEU 52 -3.009 -3.492 -10.881 405 1HD2 LEU 52 1HD2 LEU 52 -2.588 -0.157 -8.500 406 2HD2 LEU 52 2HD2 LEU 52 -3.229 -1.404 -7.428 407 3HD2 LEU 52 3HD2 LEU 52 -4.154 -0.896 -8.845 408 H ALA 53 H ALA 53 -1.252 -1.953 -5.287 409 HA ALA 53 HA ALA 53 0.917 -3.473 -4.085 410 1HB ALA 53 1HB ALA 53 -0.411 -3.086 -1.960 411 2HB ALA 53 2HB ALA 53 -1.602 -2.243 -2.958 412 3HB ALA 53 3HB ALA 53 0.043 -1.617 -2.831 413 H TYR 54 H TYR 54 0.730 -5.407 -2.892 414 HA TYR 54 HA TYR 54 -1.789 -6.904 -2.983 415 1HB TYR 54 2HB TYR 54 0.691 -7.742 -4.490 416 2HB TYR 54 1HB TYR 54 -0.540 -8.893 -3.986 417 HD1 TYR 54 1HD TYR 54 0.382 -6.385 -6.376 418 HD2 TYR 54 2HD TYR 54 -2.946 -8.515 -4.706 419 HE1 TYR 54 1HE TYR 54 -0.981 -5.750 -8.308 420 HE2 TYR 54 2HE TYR 54 -4.334 -7.851 -6.677 421 HH TYR 54 HH TYR 54 -3.969 -5.575 -8.495 422 H CYS 55 H CYS 55 -1.890 -8.277 -1.183 423 HA CYS 55 HA CYS 55 0.017 -7.944 0.881 424 1HB CYS 55 2HB CYS 55 -1.784 -10.356 0.419 425 2HB CYS 55 1HB CYS 55 -0.986 -9.952 1.934 426 H GLU 56 H GLU 56 1.257 -10.011 1.776 427 HA GLU 56 HA GLU 56 3.299 -10.746 -0.084 428 1HB GLU 56 2HB GLU 56 3.448 -10.856 2.457 429 2HB GLU 56 1HB GLU 56 2.486 -12.322 2.374 430 1HG GLU 56 2HG GLU 56 4.161 -13.497 1.184 431 2HG GLU 56 1HG GLU 56 5.024 -12.018 0.770 432 H THR 57 H THR 57 0.295 -12.307 0.884 433 HA THR 57 HA THR 57 0.885 -14.731 -0.651 434 HB THR 57 HB THR 57 -1.573 -13.864 0.882 435 HG1 THR 57 1HG THR 57 0.788 -14.956 1.551 436 1HG2 THR 57 1HG2 THR 57 -0.897 -16.409 -0.600 437 2HG2 THR 57 2HG2 THR 57 -2.328 -15.395 -0.780 438 3HG2 THR 57 3HG2 THR 57 -2.108 -16.358 0.681 439 H HIS 58 H HIS 58 -1.420 -12.010 -0.957 440 HA HIS 58 HA HIS 58 -2.632 -13.122 -3.296 441 1HB HIS 58 2HB HIS 58 -2.514 -10.282 -2.271 442 2HB HIS 58 1HB HIS 58 -3.493 -10.791 -3.644 443 HD2 HIS 58 2HD HIS 58 -4.603 -13.646 -2.351 444 HE1 HIS 58 1HE HIS 58 -6.169 -11.225 0.729 445 HE2 HIS 58 2HE HIS 58 -6.280 -13.512 -0.362 446 H TYR 59 H TYR 59 -0.017 -10.774 -2.797 447 HA TYR 59 HA TYR 59 0.541 -10.114 -5.455 448 1HB TYR 59 2HB TYR 59 1.808 -9.156 -3.614 449 2HB TYR 59 1HB TYR 59 2.386 -10.731 -3.123 450 HD1 TYR 59 1HD TYR 59 2.101 -9.562 -6.638 451 HD2 TYR 59 2HD TYR 59 4.738 -10.376 -3.347 452 HE1 TYR 59 1HE TYR 59 4.026 -9.342 -8.122 453 HE2 TYR 59 2HE TYR 59 6.686 -10.134 -4.857 454 HH TYR 59 HH TYR 59 6.555 -8.708 -7.810 455 H ASN 60 H ASN 60 1.831 -12.733 -3.493 456 HA ASN 60 HA ASN 60 3.077 -14.063 -5.676 457 1HB ASN 60 2HB ASN 60 2.314 -14.923 -2.891 458 2HB ASN 60 1HB ASN 60 3.008 -16.070 -4.036 459 1HD2 ASN 60 1HD2 ASN 60 3.728 -13.356 -1.948 460 2HD2 ASN 60 2HD2 ASN 60 5.393 -13.296 -2.272 461 H GLN 61 H GLN 61 -0.044 -14.581 -4.015 462 HA GLN 61 HA GLN 61 -0.887 -16.837 -5.525 463 1HB GLN 61 2HB GLN 61 -2.140 -15.560 -3.595 464 2HB GLN 61 1HB GLN 61 -2.820 -14.605 -4.914 465 1HG GLN 61 2HG GLN 61 -4.359 -16.393 -4.550 466 2HG GLN 61 1HG GLN 61 -3.460 -16.822 -6.005 467 1HE2 GLN 61 1HE2 GLN 61 -3.712 -17.509 -2.508 468 2HE2 GLN 61 2HE2 GLN 61 -2.913 -19.005 -2.581 469 H LEU 62 H LEU 62 -0.880 -13.420 -6.208 470 HA LEU 62 HA LEU 62 -2.171 -13.595 -8.788 471 1HB LEU 62 2HB LEU 62 -0.674 -11.529 -7.232 472 2HB LEU 62 1HB LEU 62 -0.753 -11.304 -8.971 473 HG LEU 62 HG LEU 62 -3.336 -11.798 -8.582 474 1HD1 LEU 62 1HD1 LEU 62 -3.129 -12.266 -6.178 475 2HD1 LEU 62 2HD1 LEU 62 -4.097 -10.817 -6.446 476 3HD1 LEU 62 3HD1 LEU 62 -2.420 -10.669 -5.926 477 1HD2 LEU 62 1HD2 LEU 62 -1.946 -9.194 -7.929 478 2HD2 LEU 62 2HD2 LEU 62 -3.661 -9.347 -8.318 479 3HD2 LEU 62 3HD2 LEU 62 -2.442 -9.740 -9.530 480 H PHE 63 H PHE 63 1.163 -13.579 -7.644 481 HA PHE 63 HA PHE 63 2.040 -14.853 -10.153 482 1HB PHE 63 2HB PHE 63 2.663 -12.040 -9.371 483 2HB PHE 63 1HB PHE 63 3.953 -12.980 -10.111 484 HD1 PHE 63 1HD PHE 63 0.561 -11.618 -10.573 485 HD2 PHE 63 2HD PHE 63 3.843 -13.654 -12.441 486 HE1 PHE 63 1HE PHE 63 -0.476 -11.241 -12.799 487 HE2 PHE 63 2HE PHE 63 2.813 -13.280 -14.667 488 HZ PHE 63 HZ PHE 63 0.652 -12.073 -14.845 489 H GLY 64 H GLY 64 4.029 -12.992 -7.957 490 1HA GLY 64 2HA GLY 64 5.427 -13.719 -6.175 491 2HA GLY 64 1HA GLY 64 4.833 -15.365 -6.412 492 H ASP 65 H ASP 65 6.067 -13.378 -9.030 493 HA ASP 65 HA ASP 65 8.764 -14.374 -8.985 494 1HB ASP 65 2HB ASP 65 7.731 -16.518 -9.521 495 2HB ASP 65 1HB ASP 65 6.815 -15.780 -10.835 496 H VAL 66 H VAL 66 9.092 -12.138 -9.486 497 HA VAL 66 HA VAL 66 9.096 -10.205 -10.845 498 HB VAL 66 HB VAL 66 10.940 -11.624 -11.712 499 1HG1 VAL 66 1HG1 VAL 66 9.785 -13.581 -12.474 500 2HG1 VAL 66 2HG1 VAL 66 10.491 -12.828 -13.901 501 3HG1 VAL 66 3HG1 VAL 66 8.773 -12.640 -13.568 502 1HG2 VAL 66 1HG2 VAL 66 11.365 -10.209 -13.479 503 2HG2 VAL 66 2HG2 VAL 66 9.973 -9.358 -12.811 504 3HG2 VAL 66 3HG2 VAL 66 9.768 -10.438 -14.190 Start of MODEL 14 1 1H GLY 1 1HT GLY 1 9.524 26.625 0.607 2 2H GLY 1 2HT GLY 1 10.373 25.583 1.646 3 3H GLY 1 3HT GLY 1 10.291 27.245 1.986 4 1HA GLY 1 2HA GLY 1 8.555 25.220 2.825 5 2HA GLY 1 1HA GLY 1 8.468 26.946 3.177 6 H SER 2 H SER 2 8.354 25.810 -0.126 7 HA SER 2 HA SER 2 5.884 27.170 -0.649 8 1HB SER 2 2HB SER 2 7.054 24.912 -2.290 9 2HB SER 2 1HB SER 2 6.013 26.219 -2.850 10 HG SER 2 HG SER 2 8.726 26.229 -2.165 11 H MET 3 H MET 3 4.486 25.171 -2.188 12 HA MET 3 HA MET 3 2.655 24.167 -0.321 13 1HB MET 3 2HB MET 3 3.319 22.649 -2.844 14 2HB MET 3 1HB MET 3 1.747 22.867 -2.074 15 1HG MET 3 2HG MET 3 3.373 24.931 -3.572 16 2HG MET 3 1HG MET 3 1.764 24.328 -3.969 17 1HE MET 3 1HE MET 3 3.487 27.315 -2.844 18 2HE MET 3 2HE MET 3 1.979 28.208 -2.659 19 3HE MET 3 3HE MET 3 2.227 27.196 -4.080 20 H GLY 4 H GLY 4 2.277 21.783 0.201 21 1HA GLY 4 2HA GLY 4 4.480 19.931 0.144 22 2HA GLY 4 1HA GLY 4 4.392 20.722 1.718 23 H VAL 5 H VAL 5 3.679 18.949 2.910 24 HA VAL 5 HA VAL 5 2.160 17.403 3.770 25 HB VAL 5 HB VAL 5 0.447 19.504 2.522 26 1HG1 VAL 5 1HG1 VAL 5 -0.890 17.683 1.834 27 2HG1 VAL 5 2HG1 VAL 5 -1.547 18.123 3.412 28 3HG1 VAL 5 3HG1 VAL 5 -0.475 16.731 3.264 29 1HG2 VAL 5 1HG2 VAL 5 -0.529 19.420 4.858 30 2HG2 VAL 5 2HG2 VAL 5 1.183 19.849 4.793 31 3HG2 VAL 5 3HG2 VAL 5 0.698 18.215 5.253 32 HA PRO 6 HA PRO 6 1.909 14.582 0.316 33 1HB PRO 6 2HB PRO 6 1.520 12.386 2.056 34 2HB PRO 6 1HB PRO 6 3.070 12.951 1.433 35 1HG PRO 6 2HG PRO 6 2.114 13.111 4.147 36 2HG PRO 6 1HG PRO 6 3.668 13.646 3.505 37 1HD PRO 6 2HD PRO 6 1.344 15.257 4.238 38 2HD PRO 6 1HD PRO 6 2.984 15.776 3.839 39 H ILE 7 H ILE 7 0.276 13.008 -0.410 40 HA ILE 7 HA ILE 7 -2.344 13.332 0.958 41 HB ILE 7 HB ILE 7 -1.671 13.978 -1.906 42 1HG1 ILE 7 2HG1 ILE 7 -3.365 15.319 0.204 43 2HG1 ILE 7 1HG1 ILE 7 -1.675 15.699 -0.068 44 1HG2 ILE 7 1HG2 ILE 7 -4.300 13.100 -0.705 45 2HG2 ILE 7 2HG2 ILE 7 -3.512 12.490 -2.161 46 3HG2 ILE 7 3HG2 ILE 7 -4.226 14.102 -2.153 47 1HD1 ILE 7 1HD1 ILE 7 -3.529 17.159 -1.197 48 2HD1 ILE 7 2HD1 ILE 7 -3.633 15.822 -2.348 49 3HD1 ILE 7 3HD1 ILE 7 -2.111 16.692 -2.141 50 H CYS 8 H CYS 8 -3.216 11.433 1.318 51 HA CYS 8 HA CYS 8 -2.062 9.007 0.410 52 1HB CYS 8 2HB CYS 8 -3.290 8.993 2.460 53 2HB CYS 8 1HB CYS 8 -4.731 9.620 1.672 54 H GLY 9 H GLY 9 -2.156 8.177 -1.554 55 1HA GLY 9 2HA GLY 9 -3.916 9.129 -3.598 56 2HA GLY 9 1HA GLY 9 -2.907 7.694 -3.725 57 H ALA 10 H ALA 10 -4.645 7.313 -0.959 58 HA ALA 10 HA ALA 10 -6.476 5.424 -2.281 59 1HB ALA 10 1HB ALA 10 -6.682 4.405 -0.215 60 2HB ALA 10 2HB ALA 10 -6.555 5.929 0.665 61 3HB ALA 10 3HB ALA 10 -5.112 5.175 -0.007 62 H CYS 11 H CYS 11 -6.629 8.434 -0.454 63 HA CYS 11 HA CYS 11 -9.503 8.670 -1.247 64 1HB CYS 11 2HB CYS 11 -9.640 10.057 0.976 65 2HB CYS 11 1HB CYS 11 -9.713 8.298 1.061 66 H ARG 12 H ARG 12 -6.497 9.801 -1.747 67 HA ARG 12 HA ARG 12 -5.616 11.830 -2.485 68 1HB ARG 12 2HB ARG 12 -8.525 11.990 -3.273 69 2HB ARG 12 1HB ARG 12 -7.448 13.353 -3.571 70 1HG ARG 12 2HG ARG 12 -7.285 12.128 -5.565 71 2HG ARG 12 1HG ARG 12 -5.876 11.576 -4.662 72 1HD ARG 12 2HD ARG 12 -7.818 9.832 -3.787 73 2HD ARG 12 1HD ARG 12 -8.301 10.089 -5.461 74 HE ARG 12 HE ARG 12 -6.237 8.378 -4.704 75 1HH1 ARG 12 1HH2 ARG 12 -6.534 11.227 -6.640 76 2HH1 ARG 12 2HH2 ARG 12 -5.149 10.862 -7.610 77 1HH2 ARG 12 1HH1 ARG 12 -4.443 7.894 -5.972 78 2HH2 ARG 12 2HH1 ARG 12 -3.971 8.979 -7.236 79 H ARG 13 H ARG 13 -6.152 11.638 0.259 80 HA ARG 13 HA ARG 13 -7.099 14.394 0.930 81 1HB ARG 13 2HB ARG 13 -7.280 11.767 2.373 82 2HB ARG 13 1HB ARG 13 -7.211 13.254 3.319 83 1HG ARG 13 2HG ARG 13 -9.128 14.127 1.930 84 2HG ARG 13 1HG ARG 13 -9.259 12.524 1.208 85 1HD ARG 13 2HD ARG 13 -9.375 11.671 3.661 86 2HD ARG 13 1HD ARG 13 -9.748 13.347 4.065 87 HE ARG 13 HE ARG 13 -11.517 12.757 2.018 88 1HH1 ARG 13 1HH2 ARG 13 -10.633 11.353 5.041 89 2HH1 ARG 13 2HH2 ARG 13 -12.203 10.689 5.344 90 1HH2 ARG 13 1HH1 ARG 13 -13.575 11.898 2.397 91 2HH2 ARG 13 2HH1 ARG 13 -13.868 10.997 3.846 92 HA PRO 14 HA PRO 14 -2.918 15.306 1.939 93 1HB PRO 14 2HB PRO 14 -3.641 16.988 4.170 94 2HB PRO 14 1HB PRO 14 -3.103 17.464 2.557 95 1HG PRO 14 2HG PRO 14 -5.745 17.683 3.620 96 2HG PRO 14 1HG PRO 14 -5.189 18.093 1.989 97 1HD PRO 14 2HD PRO 14 -6.829 15.841 2.782 98 2HD PRO 14 1HD PRO 14 -6.287 16.287 1.150 99 H ILE 15 H ILE 15 -1.746 13.732 2.873 100 HA ILE 15 HA ILE 15 -2.624 12.356 5.282 101 HB ILE 15 HB ILE 15 0.055 12.322 3.852 102 1HG1 ILE 15 2HG1 ILE 15 -1.921 10.082 3.803 103 2HG1 ILE 15 1HG1 ILE 15 -2.245 11.489 2.794 104 1HG2 ILE 15 1HG2 ILE 15 -1.073 10.750 6.159 105 2HG2 ILE 15 2HG2 ILE 15 0.524 11.476 6.000 106 3HG2 ILE 15 3HG2 ILE 15 0.118 10.021 5.082 107 1HD1 ILE 15 1HD1 ILE 15 0.493 10.263 2.758 108 2HD1 ILE 15 2HD1 ILE 15 -0.334 11.171 1.498 109 3HD1 ILE 15 3HD1 ILE 15 -0.804 9.504 1.834 110 H GLU 16 H GLU 16 -1.349 12.366 7.353 111 HA GLU 16 HA GLU 16 0.444 14.648 7.788 112 1HB GLU 16 2HB GLU 16 -1.171 15.514 9.653 113 2HB GLU 16 1HB GLU 16 -1.471 15.977 7.977 114 1HG GLU 16 2HG GLU 16 -3.194 14.355 7.728 115 2HG GLU 16 1HG GLU 16 -2.736 13.530 9.219 116 H GLY 17 H GLY 17 1.333 12.286 8.258 117 1HA GLY 17 2HA GLY 17 1.888 12.158 11.057 118 2HA GLY 17 1HA GLY 17 0.710 10.907 10.646 119 H ARG 18 H ARG 18 1.414 9.105 9.639 120 HA ARG 18 HA ARG 18 4.285 9.022 8.791 121 1HB ARG 18 2HB ARG 18 2.455 6.949 9.993 122 2HB ARG 18 1HB ARG 18 3.828 6.457 9.000 123 1HG ARG 18 2HG ARG 18 5.292 7.891 10.486 124 2HG ARG 18 1HG ARG 18 3.900 8.074 11.554 125 1HD ARG 18 2HD ARG 18 4.947 5.375 10.684 126 2HD ARG 18 1HD ARG 18 5.500 6.183 12.152 127 HE ARG 18 HE ARG 18 2.744 6.203 12.399 128 1HH1 ARG 18 1HH2 ARG 18 5.175 3.841 11.763 129 2HH1 ARG 18 2HH2 ARG 18 4.303 2.548 12.517 130 1HH2 ARG 18 1HH1 ARG 18 1.592 4.529 13.384 131 2HH2 ARG 18 2HH1 ARG 18 2.273 2.937 13.435 132 H VAL 19 H VAL 19 4.493 8.976 6.629 133 HA VAL 19 HA VAL 19 2.110 8.313 4.985 134 HB VAL 19 HB VAL 19 4.766 9.499 4.134 135 1HG1 VAL 19 1HG1 VAL 19 2.849 10.379 2.388 136 2HG1 VAL 19 2HG1 VAL 19 2.258 8.758 2.746 137 3HG1 VAL 19 3HG1 VAL 19 3.881 8.979 2.094 138 1HG2 VAL 19 1HG2 VAL 19 3.826 11.646 4.373 139 2HG2 VAL 19 2HG2 VAL 19 3.334 10.815 5.848 140 3HG2 VAL 19 3HG2 VAL 19 2.189 11.010 4.520 141 H VAL 20 H VAL 20 2.338 6.977 3.080 142 HA VAL 20 HA VAL 20 4.580 5.002 3.258 143 HB VAL 20 HB VAL 20 1.641 4.575 2.741 144 1HG1 VAL 20 1HG1 VAL 20 2.445 3.438 0.864 145 2HG1 VAL 20 2HG1 VAL 20 2.551 2.173 2.088 146 3HG1 VAL 20 3HG1 VAL 20 3.996 3.076 1.624 147 1HG2 VAL 20 1HG2 VAL 20 2.703 4.260 5.015 148 2HG2 VAL 20 2HG2 VAL 20 3.673 2.967 4.312 149 3HG2 VAL 20 3HG2 VAL 20 1.917 2.818 4.374 150 H ASN 21 H ASN 21 5.875 5.454 1.549 151 HA ASN 21 HA ASN 21 4.725 6.758 -0.821 152 1HB ASN 21 2HB ASN 21 7.529 6.094 0.039 153 2HB ASN 21 1HB ASN 21 7.173 6.731 -1.564 154 1HD2 ASN 21 1HD2 ASN 21 6.317 7.495 1.867 155 2HD2 ASN 21 2HD2 ASN 21 6.450 9.175 1.675 156 H ALA 22 H ALA 22 3.699 5.377 -2.164 157 HA ALA 22 HA ALA 22 5.267 3.095 -3.246 158 1HB ALA 22 1HB ALA 22 3.705 2.298 -1.390 159 2HB ALA 22 2HB ALA 22 3.470 1.531 -2.962 160 3HB ALA 22 3HB ALA 22 2.367 2.799 -2.425 161 H MET 23 H MET 23 4.381 2.411 -5.375 162 HA MET 23 HA MET 23 3.551 2.958 -7.504 163 1HB MET 23 2HB MET 23 1.498 4.657 -6.081 164 2HB MET 23 1HB MET 23 1.327 3.800 -7.611 165 1HG MET 23 2HG MET 23 1.750 2.397 -4.958 166 2HG MET 23 1HG MET 23 0.163 2.696 -5.659 167 1HE MET 23 1HE MET 23 0.554 -0.177 -5.066 168 2HE MET 23 2HE MET 23 2.286 0.125 -4.915 169 3HE MET 23 3HE MET 23 1.708 -1.121 -6.024 170 H GLY 24 H GLY 24 5.222 4.797 -5.695 171 1HA GLY 24 2HA GLY 24 6.446 6.779 -6.114 172 2HA GLY 24 1HA GLY 24 5.606 6.893 -7.663 173 H LYS 25 H LYS 25 3.703 6.436 -4.863 174 HA LYS 25 HA LYS 25 2.892 9.324 -4.858 175 1HB LYS 25 2HB LYS 25 1.171 6.835 -4.581 176 2HB LYS 25 1HB LYS 25 0.587 8.478 -4.364 177 1HG LYS 25 2HG LYS 25 1.937 8.467 -6.855 178 2HG LYS 25 1HG LYS 25 0.960 6.998 -6.822 179 1HD LYS 25 2HD LYS 25 -0.986 8.448 -6.051 180 2HD LYS 25 1HD LYS 25 0.013 9.848 -6.437 181 1HE LYS 25 2HE LYS 25 -1.520 9.183 -8.302 182 2HE LYS 25 1HE LYS 25 0.183 9.148 -8.759 183 1HZ LYS 25 1HZ LYS 25 -1.555 7.109 -9.080 184 2HZ LYS 25 2HZ LYS 25 -0.771 6.678 -7.636 185 3HZ LYS 25 3HZ LYS 25 0.132 6.951 -9.049 186 H GLN 26 H GLN 26 0.997 8.856 -2.777 187 HA GLN 26 HA GLN 26 2.669 8.060 -0.443 188 1HB GLN 26 2HB GLN 26 1.106 10.619 -0.893 189 2HB GLN 26 1HB GLN 26 1.577 10.078 0.711 190 1HG GLN 26 2HG GLN 26 3.803 10.543 0.367 191 2HG GLN 26 1HG GLN 26 3.737 10.082 -1.330 192 1HE2 GLN 26 1HE2 GLN 26 5.092 12.308 -1.112 193 2HE2 GLN 26 2HE2 GLN 26 4.187 13.706 -1.446 194 H TRP 27 H TRP 27 1.349 7.077 1.212 195 HA TRP 27 HA TRP 27 -1.583 6.987 0.663 196 1HB TRP 27 2HB TRP 27 0.159 4.542 1.083 197 2HB TRP 27 1HB TRP 27 -1.581 4.548 0.818 198 HD1 TRP 27 HD TRP 27 1.733 5.212 -0.984 199 HE1 TRP 27 1HE TRP 27 1.307 5.188 -3.532 200 HE3 TRP 27 3HE TRP 27 -3.336 4.834 -1.011 201 HZ2 TRP 27 2HZ TRP 27 -0.910 5.030 -5.335 202 HZ3 TRP 27 3HZ TRP 27 -4.590 4.745 -3.137 203 HH2 TRP 27 HH TRP 27 -3.384 4.845 -5.301 204 H HIS 28 H HIS 28 -2.794 7.000 2.572 205 HA HIS 28 HA HIS 28 -1.548 7.549 5.072 206 1HB HIS 28 2HB HIS 28 -4.260 6.400 4.368 207 2HB HIS 28 1HB HIS 28 -3.755 6.569 6.043 208 HD2 HIS 28 2HD HIS 28 -2.846 9.442 6.535 209 HE1 HIS 28 1HE HIS 28 -5.757 10.860 3.827 210 HE2 HIS 28 2HE HIS 28 -4.165 11.531 5.689 211 H VAL 29 H VAL 29 -0.636 6.140 6.576 212 HA VAL 29 HA VAL 29 0.270 3.605 5.784 213 HB VAL 29 HB VAL 29 -0.135 4.850 8.504 214 1HG1 VAL 29 1HG1 VAL 29 1.401 2.948 9.270 215 2HG1 VAL 29 2HG1 VAL 29 0.960 2.130 7.770 216 3HG1 VAL 29 3HG1 VAL 29 -0.283 2.519 8.961 217 1HG2 VAL 29 1HG2 VAL 29 1.652 5.498 6.640 218 2HG2 VAL 29 2HG2 VAL 29 2.488 4.078 7.274 219 3HG2 VAL 29 3HG2 VAL 29 2.102 5.422 8.342 220 H GLU 30 H GLU 30 -2.822 4.565 7.000 221 HA GLU 30 HA GLU 30 -3.541 1.775 7.647 222 1HB GLU 30 2HB GLU 30 -5.780 2.865 8.266 223 2HB GLU 30 1HB GLU 30 -4.389 3.285 9.263 224 1HG GLU 30 2HG GLU 30 -5.104 4.958 6.864 225 2HG GLU 30 1HG GLU 30 -5.928 5.204 8.402 226 H HIS 31 H HIS 31 -3.886 4.044 5.036 227 HA HIS 31 HA HIS 31 -6.107 2.441 3.863 228 1HB HIS 31 2HB HIS 31 -4.823 5.011 2.881 229 2HB HIS 31 1HB HIS 31 -6.200 4.208 2.139 230 HD2 HIS 31 2HD HIS 31 -7.483 3.557 5.321 231 HE1 HIS 31 1HE HIS 31 -8.087 7.728 5.203 232 HE2 HIS 31 2HE HIS 31 -8.744 5.578 6.376 233 H PHE 32 H PHE 32 -2.724 2.527 3.784 234 HA PHE 32 HA PHE 32 -2.498 1.700 0.985 235 1HB PHE 32 2HB PHE 32 -0.610 2.816 2.344 236 2HB PHE 32 1HB PHE 32 -0.397 1.242 3.114 237 HD1 PHE 32 1HD PHE 32 1.220 -0.143 2.153 238 HD2 PHE 32 2HD PHE 32 -0.969 2.566 -0.364 239 HE1 PHE 32 1HE PHE 32 2.467 -0.957 0.172 240 HE2 PHE 32 2HE PHE 32 0.276 1.747 -2.332 241 HZ PHE 32 HZ PHE 32 2.000 -0.016 -2.068 242 H VAL 33 H VAL 33 -3.523 -0.158 0.546 243 HA VAL 33 HA VAL 33 -2.967 -2.519 2.288 244 HB VAL 33 HB VAL 33 -5.290 -3.216 1.978 245 1HG1 VAL 33 1HG1 VAL 33 -6.194 -0.718 2.891 246 2HG1 VAL 33 2HG1 VAL 33 -4.502 -0.781 3.375 247 3HG1 VAL 33 3HG1 VAL 33 -5.613 -2.053 3.881 248 1HG2 VAL 33 1HG2 VAL 33 -5.733 -2.293 -0.211 249 2HG2 VAL 33 2HG2 VAL 33 -5.464 -0.650 0.374 250 3HG2 VAL 33 3HG2 VAL 33 -6.877 -1.557 0.913 251 H CYS 34 H CYS 34 -3.806 -4.534 1.128 252 HA CYS 34 HA CYS 34 -2.358 -4.913 -1.310 253 1HB CYS 34 2HB CYS 34 -2.741 -6.846 -0.052 254 2HB CYS 34 1HB CYS 34 -4.436 -6.469 0.211 255 H ALA 35 H ALA 35 -3.155 -5.076 -3.459 256 HA ALA 35 HA ALA 35 -5.606 -3.497 -3.945 257 1HB ALA 35 1HB ALA 35 -3.782 -4.674 -6.030 258 2HB ALA 35 2HB ALA 35 -3.339 -3.213 -5.146 259 3HB ALA 35 3HB ALA 35 -4.795 -3.236 -6.147 260 H LYS 36 H LYS 36 -5.798 -6.230 -2.863 261 HA LYS 36 HA LYS 36 -7.539 -7.377 -4.991 262 1HB LYS 36 2HB LYS 36 -5.083 -8.462 -4.515 263 2HB LYS 36 1HB LYS 36 -6.038 -9.352 -3.341 264 1HG LYS 36 2HG LYS 36 -7.638 -9.439 -5.610 265 2HG LYS 36 1HG LYS 36 -6.010 -9.549 -6.272 266 1HD LYS 36 2HD LYS 36 -5.504 -11.457 -4.862 267 2HD LYS 36 1HD LYS 36 -7.046 -11.294 -4.030 268 1HE LYS 36 2HE LYS 36 -6.883 -11.716 -7.014 269 2HE LYS 36 1HE LYS 36 -6.928 -13.066 -5.882 270 1HZ LYS 36 1HZ LYS 36 -9.144 -12.712 -6.383 271 2HZ LYS 36 2HZ LYS 36 -8.987 -11.020 -6.402 272 3HZ LYS 36 3HZ LYS 36 -8.960 -11.862 -4.927 273 H CYS 37 H CYS 37 -6.542 -7.453 -1.594 274 HA CYS 37 HA CYS 37 -9.328 -8.308 -0.863 275 1HB CYS 37 2HB CYS 37 -8.316 -9.331 1.140 276 2HB CYS 37 1HB CYS 37 -7.575 -9.968 -0.327 277 H GLU 38 H GLU 38 -6.868 -5.905 -0.474 278 HA GLU 38 HA GLU 38 -7.003 -3.829 0.553 279 1HB GLU 38 2HB GLU 38 -9.670 -4.543 1.756 280 2HB GLU 38 1HB GLU 38 -9.058 -2.960 1.286 281 1HG GLU 38 2HG GLU 38 -8.973 -4.152 -1.125 282 2HG GLU 38 1HG GLU 38 -10.279 -5.094 -0.406 283 H LYS 39 H LYS 39 -5.563 -5.790 1.756 284 HA LYS 39 HA LYS 39 -6.295 -5.692 4.640 285 1HB LYS 39 2HB LYS 39 -5.505 -7.839 3.287 286 2HB LYS 39 1HB LYS 39 -3.903 -7.185 3.612 287 1HG LYS 39 2HG LYS 39 -5.390 -7.021 6.047 288 2HG LYS 39 1HG LYS 39 -5.642 -8.633 5.394 289 1HD LYS 39 2HD LYS 39 -3.141 -8.814 5.095 290 2HD LYS 39 1HD LYS 39 -2.992 -7.294 5.980 291 1HE LYS 39 2HE LYS 39 -4.354 -9.786 7.046 292 2HE LYS 39 1HE LYS 39 -2.716 -9.279 7.462 293 1HZ LYS 39 1HZ LYS 39 -3.605 -8.027 9.037 294 2HZ LYS 39 2HZ LYS 39 -5.184 -8.369 8.510 295 3HZ LYS 39 3HZ LYS 39 -4.324 -7.067 7.837 296 HA PRO 40 HA PRO 40 -3.367 -2.247 4.424 297 1HB PRO 40 2HB PRO 40 -3.846 -1.576 7.112 298 2HB PRO 40 1HB PRO 40 -4.571 -0.813 5.714 299 1HG PRO 40 2HG PRO 40 -5.788 -2.597 7.644 300 2HG PRO 40 1HG PRO 40 -6.574 -1.704 6.345 301 1HD PRO 40 2HD PRO 40 -6.033 -4.521 6.459 302 2HD PRO 40 1HD PRO 40 -6.746 -3.623 5.110 303 H PHE 41 H PHE 41 -1.277 -2.145 4.925 304 HA PHE 41 HA PHE 41 -0.177 -4.164 6.829 305 1HB PHE 41 2HB PHE 41 1.605 -2.371 5.229 306 2HB PHE 41 1HB PHE 41 1.826 -4.059 5.675 307 HD1 PHE 41 1HD PHE 41 -0.064 -1.776 3.433 308 HD2 PHE 41 2HD PHE 41 1.095 -5.821 4.271 309 HE1 PHE 41 1HE PHE 41 -0.929 -2.483 1.215 310 HE2 PHE 41 2HE PHE 41 0.228 -6.528 2.068 311 HZ PHE 41 HZ PHE 41 -0.780 -4.866 0.534 312 H LEU 42 H LEU 42 -1.396 -2.349 8.316 313 HA LEU 42 HA LEU 42 -0.404 0.130 8.951 314 1HB LEU 42 2HB LEU 42 -1.320 -2.149 10.670 315 2HB LEU 42 1HB LEU 42 -0.620 -0.737 11.457 316 HG LEU 42 HG LEU 42 -2.251 0.718 10.295 317 1HD1 LEU 42 1HD1 LEU 42 -4.132 -0.475 9.085 318 2HD1 LEU 42 2HD1 LEU 42 -3.105 -1.912 9.108 319 3HD1 LEU 42 3HD1 LEU 42 -2.569 -0.456 8.264 320 1HD2 LEU 42 1HD2 LEU 42 -3.059 0.013 12.413 321 2HD2 LEU 42 2HD2 LEU 42 -3.308 -1.642 11.856 322 3HD2 LEU 42 3HD2 LEU 42 -4.381 -0.357 11.305 323 H GLY 43 H GLY 43 0.993 -2.889 10.236 324 1HA GLY 43 2HA GLY 43 3.661 -1.544 10.267 325 2HA GLY 43 1HA GLY 43 3.095 -2.417 11.689 326 H HIS 44 H HIS 44 2.398 -3.484 8.423 327 HA HIS 44 HA HIS 44 4.189 -5.845 8.908 328 1HB HIS 44 2HB HIS 44 1.905 -5.966 6.971 329 2HB HIS 44 1HB HIS 44 2.608 -7.248 7.956 330 HD1 HIS 44 1HD HIS 44 2.457 -5.434 10.641 331 HD2 HIS 44 2HD HIS 44 -0.686 -6.380 8.075 332 HE1 HIS 44 1HE HIS 44 0.331 -5.193 11.997 333 H ARG 45 H ARG 45 4.068 -6.907 6.338 334 HA ARG 45 HA ARG 45 5.592 -4.855 4.773 335 1HB ARG 45 2HB ARG 45 7.051 -6.668 5.293 336 2HB ARG 45 1HB ARG 45 5.808 -7.868 4.950 337 1HG ARG 45 2HG ARG 45 5.918 -7.452 2.596 338 2HG ARG 45 1HG ARG 45 6.888 -5.997 2.831 339 1HD ARG 45 2HD ARG 45 8.675 -7.474 3.851 340 2HD ARG 45 1HD ARG 45 7.729 -8.865 3.318 341 HE ARG 45 HE ARG 45 8.015 -7.346 1.021 342 1HH1 ARG 45 1HH2 ARG 45 10.106 -8.642 3.436 343 2HH1 ARG 45 2HH2 ARG 45 11.443 -8.852 2.355 344 1HH2 ARG 45 1HH1 ARG 45 9.748 -7.612 -0.405 345 2HH2 ARG 45 2HH1 ARG 45 11.240 -8.268 0.181 346 H HIS 46 H HIS 46 5.073 -4.592 2.561 347 HA HIS 46 HA HIS 46 2.585 -6.008 1.669 348 1HB HIS 46 2HB HIS 46 2.172 -4.020 0.224 349 2HB HIS 46 1HB HIS 46 2.121 -3.642 1.939 350 HD1 HIS 46 1HD HIS 46 4.188 -2.331 2.932 351 HD2 HIS 46 2HD HIS 46 4.293 -2.831 -1.213 352 HE1 HIS 46 1HE HIS 46 5.983 -0.769 2.066 353 H TYR 47 H TYR 47 2.407 -6.023 -0.742 354 HA TYR 47 HA TYR 47 5.049 -6.355 -2.082 355 1HB TYR 47 2HB TYR 47 2.734 -8.267 -2.405 356 2HB TYR 47 1HB TYR 47 4.398 -8.497 -2.907 357 HD1 TYR 47 1HD TYR 47 5.876 -9.653 -1.485 358 HD2 TYR 47 2HD TYR 47 2.360 -7.825 0.174 359 HE1 TYR 47 1HE TYR 47 6.420 -10.584 0.750 360 HE2 TYR 47 2HE TYR 47 2.921 -8.751 2.394 361 HH TYR 47 HH TYR 47 5.958 -10.488 2.940 362 H GLU 48 H GLU 48 5.032 -5.462 -4.149 363 HA GLU 48 HA GLU 48 2.396 -4.392 -5.076 364 1HB GLU 48 2HB GLU 48 3.999 -2.809 -6.402 365 2HB GLU 48 1HB GLU 48 3.723 -2.523 -4.687 366 1HG GLU 48 2HG GLU 48 5.764 -3.693 -4.108 367 2HG GLU 48 1HG GLU 48 6.021 -4.149 -5.794 368 H ARG 49 H ARG 49 1.854 -4.458 -7.257 369 HA ARG 49 HA ARG 49 3.577 -6.053 -9.074 370 1HB ARG 49 2HB ARG 49 2.083 -7.652 -7.895 371 2HB ARG 49 1HB ARG 49 0.691 -6.764 -8.499 372 1HG ARG 49 2HG ARG 49 2.363 -7.278 -10.746 373 2HG ARG 49 1HG ARG 49 2.241 -8.787 -9.847 374 1HD ARG 49 2HD ARG 49 0.420 -8.510 -11.535 375 2HD ARG 49 1HD ARG 49 -0.179 -8.684 -9.889 376 HE ARG 49 HE ARG 49 0.030 -5.941 -10.233 377 1HH1 ARG 49 1HH2 ARG 49 -1.443 -8.575 -11.900 378 2HH1 ARG 49 2HH2 ARG 49 -2.759 -7.628 -12.510 379 1HH2 ARG 49 1HH1 ARG 49 -1.683 -4.690 -11.019 380 2HH2 ARG 49 2HH1 ARG 49 -2.894 -5.429 -12.012 381 H LYS 50 H LYS 50 3.473 -5.272 -11.108 382 HA LYS 50 HA LYS 50 2.920 -3.841 -12.862 383 1HB LYS 50 2HB LYS 50 0.159 -4.708 -11.966 384 2HB LYS 50 1HB LYS 50 0.495 -3.873 -13.480 385 1HG LYS 50 2HG LYS 50 2.218 -5.812 -13.866 386 2HG LYS 50 1HG LYS 50 1.263 -6.660 -12.652 387 1HD LYS 50 2HD LYS 50 -0.789 -6.178 -14.016 388 2HD LYS 50 1HD LYS 50 0.259 -5.516 -15.270 389 1HE LYS 50 2HE LYS 50 0.507 -8.329 -14.170 390 2HE LYS 50 1HE LYS 50 -0.360 -7.921 -15.650 391 1HZ LYS 50 1HZ LYS 50 2.372 -6.930 -15.370 392 2HZ LYS 50 2HZ LYS 50 1.544 -7.458 -16.756 393 3HZ LYS 50 3HZ LYS 50 2.175 -8.590 -15.659 394 H GLY 51 H GLY 51 2.973 -2.815 -9.999 395 1HA GLY 51 2HA GLY 51 2.941 -0.518 -9.331 396 2HA GLY 51 1HA GLY 51 1.911 -0.165 -10.713 397 H LEU 52 H LEU 52 1.272 -2.779 -8.509 398 HA LEU 52 HA LEU 52 -0.826 -1.204 -7.133 399 1HB LEU 52 2HB LEU 52 -1.278 -3.637 -8.842 400 2HB LEU 52 1HB LEU 52 -2.328 -3.329 -7.464 401 HG LEU 52 HG LEU 52 -1.807 -1.409 -9.751 402 1HD1 LEU 52 1HD1 LEU 52 -3.966 -1.983 -10.550 403 2HD1 LEU 52 2HD1 LEU 52 -4.395 -2.797 -9.045 404 3HD1 LEU 52 3HD1 LEU 52 -3.223 -3.531 -10.141 405 1HD2 LEU 52 1HD2 LEU 52 -2.401 0.089 -8.120 406 2HD2 LEU 52 2HD2 LEU 52 -3.107 -1.156 -7.087 407 3HD2 LEU 52 3HD2 LEU 52 -4.031 -0.503 -8.441 408 H ALA 53 H ALA 53 -1.061 -1.816 -5.022 409 HA ALA 53 HA ALA 53 0.978 -3.536 -3.933 410 1HB ALA 53 1HB ALA 53 -0.334 -3.196 -1.769 411 2HB ALA 53 2HB ALA 53 -1.431 -2.187 -2.721 412 3HB ALA 53 3HB ALA 53 0.267 -1.729 -2.551 413 H TYR 54 H TYR 54 0.723 -5.494 -2.805 414 HA TYR 54 HA TYR 54 -1.857 -6.882 -2.928 415 1HB TYR 54 2HB TYR 54 0.555 -7.711 -4.537 416 2HB TYR 54 1HB TYR 54 -0.649 -8.880 -4.014 417 HD1 TYR 54 1HD TYR 54 0.156 -6.310 -6.378 418 HD2 TYR 54 2HD TYR 54 -3.076 -8.471 -4.587 419 HE1 TYR 54 1HE TYR 54 -1.312 -5.618 -8.213 420 HE2 TYR 54 2HE TYR 54 -4.577 -7.751 -6.446 421 HH TYR 54 HH TYR 54 -4.417 -6.983 -8.735 422 H CYS 55 H CYS 55 -1.988 -8.388 -1.248 423 HA CYS 55 HA CYS 55 -0.104 -8.225 0.852 424 1HB CYS 55 2HB CYS 55 -2.044 -10.458 0.152 425 2HB CYS 55 1HB CYS 55 -1.130 -10.398 1.656 426 H GLU 56 H GLU 56 0.970 -10.499 1.614 427 HA GLU 56 HA GLU 56 3.092 -11.074 -0.239 428 1HB GLU 56 2HB GLU 56 3.181 -11.374 2.284 429 2HB GLU 56 1HB GLU 56 2.198 -12.815 2.073 430 1HG GLU 56 2HG GLU 56 3.881 -13.919 0.818 431 2HG GLU 56 1HG GLU 56 4.784 -12.426 0.565 432 H THR 57 H THR 57 0.069 -12.705 0.569 433 HA THR 57 HA THR 57 0.659 -14.970 -1.196 434 HB THR 57 HB THR 57 -1.787 -14.261 0.434 435 HG1 THR 57 1HG THR 57 -1.000 -15.941 1.734 436 1HG2 THR 57 1HG2 THR 57 -2.566 -15.605 -1.371 437 2HG2 THR 57 2HG2 THR 57 -2.339 -16.716 -0.021 438 3HG2 THR 57 3HG2 THR 57 -1.139 -16.640 -1.312 439 H HIS 58 H HIS 58 -1.616 -12.216 -1.224 440 HA HIS 58 HA HIS 58 -2.893 -13.068 -3.635 441 1HB HIS 58 2HB HIS 58 -2.630 -10.313 -2.413 442 2HB HIS 58 1HB HIS 58 -3.694 -10.712 -3.755 443 HD2 HIS 58 2HD HIS 58 -4.849 -13.591 -2.562 444 HE1 HIS 58 1HE HIS 58 -6.147 -11.292 0.730 445 HE2 HIS 58 2HE HIS 58 -6.414 -13.506 -0.480 446 H TYR 59 H TYR 59 -0.177 -10.882 -2.975 447 HA TYR 59 HA TYR 59 0.337 -10.034 -5.592 448 1HB TYR 59 2HB TYR 59 1.653 -9.206 -3.732 449 2HB TYR 59 1HB TYR 59 2.201 -10.820 -3.329 450 HD1 TYR 59 1HD TYR 59 1.887 -9.421 -6.753 451 HD2 TYR 59 2HD TYR 59 4.560 -10.561 -3.592 452 HE1 TYR 59 1HE TYR 59 3.793 -9.171 -8.269 453 HE2 TYR 59 2HE TYR 59 6.484 -10.288 -5.127 454 HH TYR 59 HH TYR 59 6.802 -10.405 -7.704 455 H ASN 60 H ASN 60 1.676 -12.773 -3.832 456 HA ASN 60 HA ASN 60 2.877 -13.978 -6.095 457 1HB ASN 60 2HB ASN 60 2.065 -15.034 -3.393 458 2HB ASN 60 1HB ASN 60 2.770 -16.093 -4.613 459 1HD2 ASN 60 1HD2 ASN 60 3.466 -13.512 -2.340 460 2HD2 ASN 60 2HD2 ASN 60 5.141 -13.460 -2.617 461 H GLN 61 H GLN 61 -0.275 -14.531 -4.521 462 HA GLN 61 HA GLN 61 -1.116 -16.673 -6.201 463 1HB GLN 61 2HB GLN 61 -2.378 -15.622 -4.184 464 2HB GLN 61 1HB GLN 61 -2.997 -14.463 -5.361 465 1HG GLN 61 2HG GLN 61 -3.919 -16.283 -6.712 466 2HG GLN 61 1HG GLN 61 -3.250 -17.474 -5.596 467 1HE2 GLN 61 1HE2 GLN 61 -3.874 -16.339 -3.105 468 2HE2 GLN 61 2HE2 GLN 61 -5.559 -16.226 -2.936 469 H LEU 62 H LEU 62 -0.950 -13.230 -6.647 470 HA LEU 62 HA LEU 62 -2.248 -13.247 -9.262 471 1HB LEU 62 2HB LEU 62 -0.926 -11.231 -7.501 472 2HB LEU 62 1HB LEU 62 -0.966 -10.877 -9.223 473 HG LEU 62 HG LEU 62 -3.490 -11.474 -9.059 474 1HD1 LEU 62 1HD1 LEU 62 -3.225 -12.386 -6.711 475 2HD1 LEU 62 2HD1 LEU 62 -4.514 -11.201 -6.915 476 3HD1 LEU 62 3HD1 LEU 62 -2.985 -10.718 -6.181 477 1HD2 LEU 62 1HD2 LEU 62 -2.226 -9.000 -7.894 478 2HD2 LEU 62 2HD2 LEU 62 -3.967 -9.138 -8.164 479 3HD2 LEU 62 3HD2 LEU 62 -2.850 -9.230 -9.528 480 H PHE 63 H PHE 63 1.047 -13.319 -8.022 481 HA PHE 63 HA PHE 63 2.011 -14.272 -10.623 482 1HB PHE 63 2HB PHE 63 2.582 -11.518 -9.587 483 2HB PHE 63 1HB PHE 63 3.853 -12.369 -10.462 484 HD1 PHE 63 1HD PHE 63 0.628 -10.704 -10.693 485 HD2 PHE 63 2HD PHE 63 3.470 -13.122 -12.814 486 HE1 PHE 63 1HE PHE 63 -0.492 -10.139 -12.839 487 HE2 PHE 63 2HE PHE 63 2.358 -12.555 -14.957 488 HZ PHE 63 HZ PHE 63 0.377 -11.063 -14.969 489 H GLY 64 H GLY 64 3.823 -12.559 -8.139 490 1HA GLY 64 2HA GLY 64 5.175 -13.466 -6.388 491 2HA GLY 64 1HA GLY 64 4.776 -15.089 -6.950 492 H ASP 65 H ASP 65 5.918 -12.545 -9.083 493 HA ASP 65 HA ASP 65 7.789 -12.520 -10.508 494 1HB ASP 65 2HB ASP 65 9.212 -13.680 -8.097 495 2HB ASP 65 1HB ASP 65 9.910 -12.692 -9.382 496 H VAL 66 H VAL 66 6.193 -14.808 -10.838 497 HA VAL 66 HA VAL 66 8.067 -16.600 -12.101 498 HB VAL 66 HB VAL 66 8.372 -17.299 -9.727 499 1HG1 VAL 66 1HG1 VAL 66 5.978 -16.688 -9.104 500 2HG1 VAL 66 2HG1 VAL 66 6.558 -18.228 -8.470 501 3HG1 VAL 66 3HG1 VAL 66 5.486 -18.200 -9.870 502 1HG2 VAL 66 1HG2 VAL 66 8.496 -18.906 -11.694 503 2HG2 VAL 66 2HG2 VAL 66 6.846 -19.389 -11.305 504 3HG2 VAL 66 3HG2 VAL 66 8.143 -19.659 -10.140 Start of MODEL 15 1 1H GLY 1 1HT GLY 1 8.206 29.730 1.923 2 2H GLY 1 2HT GLY 1 8.378 30.256 0.316 3 3H GLY 1 3HT GLY 1 9.095 28.799 0.818 4 1HA GLY 1 2HA GLY 1 6.364 28.649 1.405 5 2HA GLY 1 1HA GLY 1 6.545 29.192 -0.265 6 H SER 2 H SER 2 5.682 26.536 0.824 7 HA SER 2 HA SER 2 7.131 24.885 -1.051 8 1HB SER 2 2HB SER 2 7.746 24.602 1.897 9 2HB SER 2 1HB SER 2 7.995 23.286 0.751 10 HG SER 2 HG SER 2 9.803 24.832 1.196 11 H MET 3 H MET 3 5.079 24.233 -1.753 12 HA MET 3 HA MET 3 2.943 23.442 -0.017 13 1HB MET 3 2HB MET 3 3.390 22.385 -2.817 14 2HB MET 3 1HB MET 3 1.855 22.635 -1.983 15 1HG MET 3 2HG MET 3 3.783 24.795 -2.885 16 2HG MET 3 1HG MET 3 2.200 24.447 -3.580 17 1HE MET 3 1HE MET 3 1.314 26.657 -3.442 18 2HE MET 3 2HE MET 3 2.757 27.394 -2.749 19 3HE MET 3 3HE MET 3 1.182 27.699 -2.020 20 H GLY 4 H GLY 4 4.323 22.109 1.490 21 1HA GLY 4 2HA GLY 4 5.228 19.501 0.485 22 2HA GLY 4 1HA GLY 4 5.317 20.056 2.157 23 H VAL 5 H VAL 5 4.212 18.543 3.319 24 HA VAL 5 HA VAL 5 2.449 17.200 4.045 25 HB VAL 5 HB VAL 5 1.147 19.551 2.764 26 1HG1 VAL 5 1HG1 VAL 5 -0.251 16.939 3.358 27 2HG1 VAL 5 2HG1 VAL 5 -0.351 17.920 1.890 28 3HG1 VAL 5 3HG1 VAL 5 -1.096 18.488 3.382 29 1HG2 VAL 5 1HG2 VAL 5 0.988 18.129 5.438 30 2HG2 VAL 5 2HG2 VAL 5 -0.010 19.523 5.021 31 3HG2 VAL 5 3HG2 VAL 5 1.748 19.687 5.100 32 HA PRO 6 HA PRO 6 2.104 14.534 0.464 33 1HB PRO 6 2HB PRO 6 1.695 12.288 2.132 34 2HB PRO 6 1HB PRO 6 3.245 12.828 1.486 35 1HG PRO 6 2HG PRO 6 2.389 12.903 4.231 36 2HG PRO 6 1HG PRO 6 3.925 13.453 3.556 37 1HD PRO 6 2HD PRO 6 1.612 15.045 4.404 38 2HD PRO 6 1HD PRO 6 3.259 15.569 4.039 39 H ILE 7 H ILE 7 0.397 13.038 -0.266 40 HA ILE 7 HA ILE 7 -2.169 13.398 1.193 41 HB ILE 7 HB ILE 7 -1.560 14.125 -1.667 42 1HG1 ILE 7 2HG1 ILE 7 -3.139 15.449 0.543 43 2HG1 ILE 7 1HG1 ILE 7 -1.448 15.783 0.222 44 1HG2 ILE 7 1HG2 ILE 7 -4.175 13.282 -0.415 45 2HG2 ILE 7 2HG2 ILE 7 -3.457 12.719 -1.924 46 3HG2 ILE 7 3HG2 ILE 7 -4.121 14.350 -1.817 47 1HD1 ILE 7 1HD1 ILE 7 -3.277 17.344 -0.796 48 2HD1 ILE 7 2HD1 ILE 7 -3.489 16.046 -1.974 49 3HD1 ILE 7 3HD1 ILE 7 -1.924 16.844 -1.813 50 H CYS 8 H CYS 8 -3.085 11.510 1.509 51 HA CYS 8 HA CYS 8 -2.042 9.088 0.471 52 1HB CYS 8 2HB CYS 8 -3.210 9.035 2.557 53 2HB CYS 8 1HB CYS 8 -4.653 9.733 1.834 54 H GLY 9 H GLY 9 -2.222 8.344 -1.522 55 1HA GLY 9 2HA GLY 9 -4.012 9.432 -3.471 56 2HA GLY 9 1HA GLY 9 -3.052 7.972 -3.685 57 H ALA 10 H ALA 10 -4.720 7.539 -0.885 58 HA ALA 10 HA ALA 10 -6.651 5.762 -2.219 59 1HB ALA 10 1HB ALA 10 -5.224 5.380 0.000 60 2HB ALA 10 2HB ALA 10 -6.822 4.664 -0.191 61 3HB ALA 10 3HB ALA 10 -6.625 6.146 0.746 62 H CYS 11 H CYS 11 -6.644 8.703 -0.278 63 HA CYS 11 HA CYS 11 -9.535 9.056 -0.957 64 1HB CYS 11 2HB CYS 11 -9.553 10.351 1.327 65 2HB CYS 11 1HB CYS 11 -9.680 8.592 1.340 66 H ARG 12 H ARG 12 -6.512 10.117 -1.510 67 HA ARG 12 HA ARG 12 -5.593 12.151 -2.190 68 1HB ARG 12 2HB ARG 12 -8.520 12.425 -2.872 69 2HB ARG 12 1HB ARG 12 -7.418 13.774 -3.141 70 1HG ARG 12 2HG ARG 12 -7.357 12.640 -5.194 71 2HG ARG 12 1HG ARG 12 -5.930 12.020 -4.368 72 1HD ARG 12 2HD ARG 12 -7.886 10.278 -3.507 73 2HD ARG 12 1HD ARG 12 -8.405 10.616 -5.155 74 HE ARG 12 HE ARG 12 -6.356 8.837 -4.522 75 1HH1 ARG 12 1HH2 ARG 12 -6.657 11.762 -6.337 76 2HH1 ARG 12 2HH2 ARG 12 -5.303 11.415 -7.356 77 1HH2 ARG 12 1HH1 ARG 12 -4.602 8.376 -5.851 78 2HH2 ARG 12 2HH1 ARG 12 -4.144 9.502 -7.086 79 H ARG 13 H ARG 13 -6.037 11.857 0.559 80 HA ARG 13 HA ARG 13 -6.879 14.607 1.376 81 1HB ARG 13 2HB ARG 13 -7.117 11.927 2.701 82 2HB ARG 13 1HB ARG 13 -6.944 13.357 3.718 83 1HG ARG 13 2HG ARG 13 -8.864 14.388 2.452 84 2HG ARG 13 1HG ARG 13 -9.099 12.833 1.655 85 1HD ARG 13 2HD ARG 13 -8.973 12.092 4.299 86 2HD ARG 13 1HD ARG 13 -9.771 13.657 4.410 87 HE ARG 13 HE ARG 13 -11.087 11.313 3.677 88 1HH1 ARG 13 1HH2 ARG 13 -10.440 14.379 2.215 89 2HH1 ARG 13 2HH2 ARG 13 -11.808 14.304 1.161 90 1HH2 ARG 13 1HH1 ARG 13 -12.872 11.218 2.314 91 2HH2 ARG 13 2HH1 ARG 13 -13.185 12.521 1.218 92 HA PRO 14 HA PRO 14 -2.643 15.368 2.281 93 1HB PRO 14 2HB PRO 14 -3.316 16.924 4.636 94 2HB PRO 14 1HB PRO 14 -2.713 17.479 3.075 95 1HG PRO 14 2HG PRO 14 -5.352 17.797 4.071 96 2HG PRO 14 1HG PRO 14 -4.768 18.186 2.445 97 1HD PRO 14 2HD PRO 14 -6.505 15.993 3.240 98 2HD PRO 14 1HD PRO 14 -5.988 16.459 1.606 99 H ILE 15 H ILE 15 -1.498 13.699 3.097 100 HA ILE 15 HA ILE 15 -2.348 12.245 5.470 101 HB ILE 15 HB ILE 15 0.290 12.193 3.962 102 1HG1 ILE 15 2HG1 ILE 15 -1.757 10.016 3.885 103 2HG1 ILE 15 1HG1 ILE 15 -2.061 11.471 2.938 104 1HG2 ILE 15 1HG2 ILE 15 0.301 9.837 5.103 105 2HG2 ILE 15 2HG2 ILE 15 -0.815 10.578 6.249 106 3HG2 ILE 15 3HG2 ILE 15 0.806 11.240 6.048 107 1HD1 ILE 15 1HD1 ILE 15 -0.206 11.137 1.573 108 2HD1 ILE 15 2HD1 ILE 15 -0.705 9.473 1.875 109 3HD1 ILE 15 3HD1 ILE 15 0.638 10.173 2.780 110 H GLU 16 H GLU 16 -1.045 12.151 7.512 111 HA GLU 16 HA GLU 16 0.837 14.360 7.973 112 1HB GLU 16 2HB GLU 16 -0.695 15.192 9.927 113 2HB GLU 16 1HB GLU 16 -1.018 15.742 8.283 114 1HG GLU 16 2HG GLU 16 -3.080 14.982 9.470 115 2HG GLU 16 1HG GLU 16 -2.750 14.057 8.006 116 H GLY 17 H GLY 17 1.626 11.919 8.302 117 1HA GLY 17 2HA GLY 17 2.291 11.670 11.077 118 2HA GLY 17 1HA GLY 17 1.067 10.469 10.652 119 H ARG 18 H ARG 18 1.678 8.706 9.512 120 HA ARG 18 HA ARG 18 4.524 8.583 8.592 121 1HB ARG 18 2HB ARG 18 2.655 6.485 9.694 122 2HB ARG 18 1HB ARG 18 4.047 6.038 8.705 123 1HG ARG 18 2HG ARG 18 5.478 7.412 10.289 124 2HG ARG 18 1HG ARG 18 4.063 7.528 11.337 125 1HD ARG 18 2HD ARG 18 5.144 4.881 10.357 126 2HD ARG 18 1HD ARG 18 5.686 5.626 11.860 127 HE ARG 18 HE ARG 18 2.926 5.617 12.088 128 1HH1 ARG 18 1HH2 ARG 18 5.385 3.305 11.386 129 2HH1 ARG 18 2HH2 ARG 18 4.522 1.978 12.088 130 1HH2 ARG 18 1HH1 ARG 18 1.785 3.897 13.009 131 2HH2 ARG 18 2HH1 ARG 18 2.484 2.312 13.007 132 H VAL 19 H VAL 19 4.706 8.597 6.428 133 HA VAL 19 HA VAL 19 2.267 8.126 4.803 134 HB VAL 19 HB VAL 19 4.962 9.212 3.952 135 1HG1 VAL 19 1HG1 VAL 19 3.055 10.274 2.297 136 2HG1 VAL 19 2HG1 VAL 19 2.391 8.667 2.588 137 3HG1 VAL 19 3HG1 VAL 19 4.010 8.841 1.910 138 1HG2 VAL 19 1HG2 VAL 19 4.096 11.400 4.274 139 2HG2 VAL 19 2HG2 VAL 19 3.696 10.530 5.754 140 3HG2 VAL 19 3HG2 VAL 19 2.459 10.798 4.525 141 H VAL 20 H VAL 20 2.353 6.826 2.882 142 HA VAL 20 HA VAL 20 4.511 4.749 2.916 143 HB VAL 20 HB VAL 20 1.546 4.493 2.415 144 1HG1 VAL 20 1HG1 VAL 20 2.375 2.045 1.748 145 2HG1 VAL 20 2HG1 VAL 20 3.819 2.928 1.245 146 3HG1 VAL 20 3HG1 VAL 20 2.252 3.322 0.537 147 1HG2 VAL 20 1HG2 VAL 20 3.564 2.947 4.069 148 2HG2 VAL 20 2HG2 VAL 20 1.852 2.544 3.937 149 3HG2 VAL 20 3HG2 VAL 20 2.345 4.062 4.683 150 H ASN 21 H ASN 21 5.789 5.240 1.195 151 HA ASN 21 HA ASN 21 4.645 6.670 -1.100 152 1HB ASN 21 2HB ASN 21 7.425 5.817 -0.340 153 2HB ASN 21 1HB ASN 21 7.070 6.503 -1.922 154 1HD2 ASN 21 1HD2 ASN 21 5.573 7.420 1.203 155 2HD2 ASN 21 2HD2 ASN 21 6.130 9.022 1.179 156 H ALA 22 H ALA 22 3.491 5.392 -2.450 157 HA ALA 22 HA ALA 22 4.884 3.074 -3.670 158 1HB ALA 22 1HB ALA 22 3.402 2.298 -1.729 159 2HB ALA 22 2HB ALA 22 3.075 1.556 -3.296 160 3HB ALA 22 3HB ALA 22 2.029 2.844 -2.693 161 H MET 23 H MET 23 3.833 2.457 -5.738 162 HA MET 23 HA MET 23 2.890 3.060 -7.799 163 1HB MET 23 2HB MET 23 0.976 4.790 -6.231 164 2HB MET 23 1HB MET 23 0.684 3.950 -7.752 165 1HG MET 23 2HG MET 23 1.288 2.457 -5.191 166 2HG MET 23 1HG MET 23 -0.350 2.902 -5.653 167 1HE MET 23 1HE MET 23 1.236 -0.946 -6.448 168 2HE MET 23 2HE MET 23 0.229 -0.168 -5.227 169 3HE MET 23 3HE MET 23 1.918 0.304 -5.396 170 H GLY 24 H GLY 24 4.760 4.823 -6.134 171 1HA GLY 24 2HA GLY 24 5.979 6.790 -6.606 172 2HA GLY 24 1HA GLY 24 5.035 6.935 -8.090 173 H LYS 25 H LYS 25 3.508 6.553 -5.010 174 HA LYS 25 HA LYS 25 2.746 9.445 -4.946 175 1HB LYS 25 2HB LYS 25 0.898 7.046 -4.709 176 2HB LYS 25 1HB LYS 25 0.416 8.709 -4.411 177 1HG LYS 25 2HG LYS 25 1.674 8.743 -6.940 178 2HG LYS 25 1HG LYS 25 0.647 7.308 -6.939 179 1HD LYS 25 2HD LYS 25 -1.229 8.771 -6.062 180 2HD LYS 25 1HD LYS 25 -0.193 10.163 -6.379 181 1HE LYS 25 2HE LYS 25 -1.785 9.652 -8.252 182 2HE LYS 25 1HE LYS 25 -0.090 9.622 -8.741 183 1HZ LYS 25 1HZ LYS 25 -0.125 7.403 -9.054 184 2HZ LYS 25 2HZ LYS 25 -1.789 7.665 -9.281 185 3HZ LYS 25 3HZ LYS 25 -1.208 7.113 -7.782 186 H GLN 26 H GLN 26 0.900 8.987 -2.819 187 HA GLN 26 HA GLN 26 2.618 8.018 -0.581 188 1HB GLN 26 2HB GLN 26 1.108 10.637 -0.853 189 2HB GLN 26 1HB GLN 26 1.659 10.019 0.698 190 1HG GLN 26 2HG GLN 26 3.878 10.428 0.231 191 2HG GLN 26 1HG GLN 26 3.685 10.075 -1.483 192 1HE2 GLN 26 1HE2 GLN 26 5.119 12.262 -1.179 193 2HE2 GLN 26 2HE2 GLN 26 4.230 13.693 -1.386 194 H TRP 27 H TRP 27 1.316 7.012 1.089 195 HA TRP 27 HA TRP 27 -1.633 7.054 0.639 196 1HB TRP 27 2HB TRP 27 0.016 4.525 0.885 197 2HB TRP 27 1HB TRP 27 -1.730 4.614 0.682 198 HD1 TRP 27 HD TRP 27 1.549 5.264 -1.196 199 HE1 TRP 27 1HE TRP 27 1.048 5.358 -3.723 200 HE3 TRP 27 3HE TRP 27 -3.525 4.999 -1.081 201 HZ2 TRP 27 2HZ TRP 27 -1.226 5.327 -5.465 202 HZ3 TRP 27 3HZ TRP 27 -4.844 5.030 -3.168 203 HH2 TRP 27 HH TRP 27 -3.703 5.197 -5.363 204 H HIS 28 H HIS 28 -2.779 7.014 2.585 205 HA HIS 28 HA HIS 28 -1.432 7.419 5.061 206 1HB HIS 28 2HB HIS 28 -4.202 6.382 4.409 207 2HB HIS 28 1HB HIS 28 -3.636 6.471 6.071 208 HD2 HIS 28 2HD HIS 28 -2.622 9.293 6.642 209 HE1 HIS 28 1HE HIS 28 -5.563 10.909 4.078 210 HE2 HIS 28 2HE HIS 28 -3.897 11.455 5.917 211 H VAL 29 H VAL 29 -0.520 5.922 6.481 212 HA VAL 29 HA VAL 29 0.269 3.382 5.574 213 HB VAL 29 HB VAL 29 0.000 4.581 8.329 214 1HG1 VAL 29 1HG1 VAL 29 0.824 1.780 7.556 215 2HG1 VAL 29 2HG1 VAL 29 -0.327 2.278 8.796 216 3HG1 VAL 29 3HG1 VAL 29 1.400 2.542 9.038 217 1HG2 VAL 29 1HG2 VAL 29 2.471 3.624 6.886 218 2HG2 VAL 29 2HG2 VAL 29 2.344 4.809 8.181 219 3HG2 VAL 29 3HG2 VAL 29 1.783 5.217 6.559 220 H GLU 30 H GLU 30 -2.749 4.430 6.890 221 HA GLU 30 HA GLU 30 -3.586 1.665 7.491 222 1HB GLU 30 2HB GLU 30 -5.742 2.810 8.194 223 2HB GLU 30 1HB GLU 30 -4.309 3.257 9.121 224 1HG GLU 30 2HG GLU 30 -4.103 5.340 8.022 225 2HG GLU 30 1HG GLU 30 -5.174 4.849 6.708 226 H HIS 31 H HIS 31 -3.933 4.040 4.952 227 HA HIS 31 HA HIS 31 -6.195 2.507 3.769 228 1HB HIS 31 2HB HIS 31 -4.884 5.084 2.839 229 2HB HIS 31 1HB HIS 31 -6.303 4.334 2.116 230 HD2 HIS 31 2HD HIS 31 -7.546 3.602 5.275 231 HE1 HIS 31 1HE HIS 31 -7.974 7.797 5.383 232 HE2 HIS 31 2HE HIS 31 -8.700 5.618 6.458 233 H PHE 32 H PHE 32 -2.828 2.459 3.649 234 HA PHE 32 HA PHE 32 -2.710 1.725 0.804 235 1HB PHE 32 2HB PHE 32 -0.753 2.811 2.083 236 2HB PHE 32 1HB PHE 32 -0.513 1.227 2.824 237 HD1 PHE 32 1HD PHE 32 1.017 -0.183 1.757 238 HD2 PHE 32 2HD PHE 32 -1.232 2.618 -0.599 239 HE1 PHE 32 1HE PHE 32 2.134 -1.003 -0.296 240 HE2 PHE 32 2HE PHE 32 -0.112 1.799 -2.641 241 HZ PHE 32 HZ PHE 32 1.575 -0.012 -2.495 242 H VAL 33 H VAL 33 -3.804 -0.095 0.421 243 HA VAL 33 HA VAL 33 -3.232 -2.473 2.135 244 HB VAL 33 HB VAL 33 -5.548 -3.169 1.743 245 1HG1 VAL 33 1HG1 VAL 33 -5.942 -2.003 3.633 246 2HG1 VAL 33 2HG1 VAL 33 -6.456 -0.654 2.623 247 3HG1 VAL 33 3HG1 VAL 33 -4.785 -0.749 3.177 248 1HG2 VAL 33 1HG2 VAL 33 -5.665 -0.596 0.144 249 2HG2 VAL 33 2HG2 VAL 33 -7.092 -1.514 0.622 250 3HG2 VAL 33 3HG2 VAL 33 -5.903 -2.236 -0.463 251 H CYS 34 H CYS 34 -4.096 -4.469 0.936 252 HA CYS 34 HA CYS 34 -2.538 -4.841 -1.459 253 1HB CYS 34 2HB CYS 34 -2.811 -6.734 -0.127 254 2HB CYS 34 1HB CYS 34 -4.526 -6.452 0.112 255 H ALA 35 H ALA 35 -3.285 -5.155 -3.587 256 HA ALA 35 HA ALA 35 -5.800 -3.744 -4.216 257 1HB ALA 35 1HB ALA 35 -3.865 -4.966 -6.183 258 2HB ALA 35 2HB ALA 35 -3.534 -3.418 -5.407 259 3HB ALA 35 3HB ALA 35 -4.960 -3.608 -6.433 260 H LYS 36 H LYS 36 -5.700 -6.514 -3.000 261 HA LYS 36 HA LYS 36 -7.444 -7.841 -5.032 262 1HB LYS 36 2HB LYS 36 -5.192 -8.923 -5.035 263 2HB LYS 36 1HB LYS 36 -5.381 -9.273 -3.325 264 1HG LYS 36 2HG LYS 36 -5.981 -11.226 -4.690 265 2HG LYS 36 1HG LYS 36 -7.382 -10.617 -3.814 266 1HD LYS 36 2HD LYS 36 -8.417 -9.833 -5.732 267 2HD LYS 36 1HD LYS 36 -6.889 -9.529 -6.558 268 1HE LYS 36 2HE LYS 36 -6.629 -11.771 -7.184 269 2HE LYS 36 1HE LYS 36 -7.717 -12.352 -5.923 270 1HZ LYS 36 1HZ LYS 36 -9.206 -12.420 -7.571 271 2HZ LYS 36 2HZ LYS 36 -8.318 -11.372 -8.571 272 3HZ LYS 36 3HZ LYS 36 -9.321 -10.742 -7.352 273 H CYS 37 H CYS 37 -6.557 -7.394 -1.648 274 HA CYS 37 HA CYS 37 -9.254 -8.466 -0.886 275 1HB CYS 37 2HB CYS 37 -8.236 -9.394 1.149 276 2HB CYS 37 1HB CYS 37 -7.421 -10.032 -0.278 277 H GLU 38 H GLU 38 -7.147 -5.820 -0.855 278 HA GLU 38 HA GLU 38 -7.219 -3.783 0.239 279 1HB GLU 38 2HB GLU 38 -10.015 -4.655 1.026 280 2HB GLU 38 1HB GLU 38 -9.395 -3.005 1.028 281 1HG GLU 38 2HG GLU 38 -10.581 -3.173 -1.013 282 2HG GLU 38 1HG GLU 38 -8.893 -3.383 -1.475 283 H LYS 39 H LYS 39 -5.990 -5.863 1.600 284 HA LYS 39 HA LYS 39 -6.879 -5.579 4.422 285 1HB LYS 39 2HB LYS 39 -6.338 -7.851 3.465 286 2HB LYS 39 1HB LYS 39 -4.665 -7.317 3.305 287 1HG LYS 39 2HG LYS 39 -4.264 -7.606 5.512 288 2HG LYS 39 1HG LYS 39 -5.739 -6.767 5.975 289 1HD LYS 39 2HD LYS 39 -7.052 -8.741 5.760 290 2HD LYS 39 1HD LYS 39 -5.764 -9.595 4.908 291 1HE LYS 39 2HE LYS 39 -5.660 -8.677 7.797 292 2HE LYS 39 1HE LYS 39 -5.893 -10.338 7.255 293 1HZ LYS 39 1HZ LYS 39 -3.715 -10.561 7.062 294 2HZ LYS 39 2HZ LYS 39 -3.491 -8.981 7.641 295 3HZ LYS 39 3HZ LYS 39 -3.639 -9.264 5.972 296 HA PRO 40 HA PRO 40 -3.781 -2.293 4.294 297 1HB PRO 40 2HB PRO 40 -4.287 -1.647 6.994 298 2HB PRO 40 1HB PRO 40 -4.904 -0.803 5.594 299 1HG PRO 40 2HG PRO 40 -6.320 -2.523 7.432 300 2HG PRO 40 1HG PRO 40 -6.986 -1.577 6.108 301 1HD PRO 40 2HD PRO 40 -6.638 -4.421 6.223 302 2HD PRO 40 1HD PRO 40 -7.222 -3.472 4.848 303 H PHE 41 H PHE 41 -1.718 -2.219 4.876 304 HA PHE 41 HA PHE 41 -0.696 -4.346 6.700 305 1HB PHE 41 2HB PHE 41 1.136 -2.513 5.208 306 2HB PHE 41 1HB PHE 41 1.314 -4.230 5.566 307 HD1 PHE 41 1HD PHE 41 -0.317 -5.853 4.427 308 HD2 PHE 41 2HD PHE 41 0.330 -1.827 3.109 309 HE1 PHE 41 1HE PHE 41 -1.208 -6.443 2.189 310 HE2 PHE 41 2HE PHE 41 -0.561 -2.410 0.868 311 HZ PHE 41 HZ PHE 41 -1.319 -4.723 0.407 312 H LEU 42 H LEU 42 -1.867 -2.711 8.294 313 HA LEU 42 HA LEU 42 -0.970 -0.235 9.076 314 1HB LEU 42 2HB LEU 42 -1.787 -2.653 10.652 315 2HB LEU 42 1HB LEU 42 -1.167 -1.251 11.521 316 HG LEU 42 HG LEU 42 -2.866 0.184 10.480 317 1HD1 LEU 42 1HD1 LEU 42 -4.649 -0.996 9.097 318 2HD1 LEU 42 2HD1 LEU 42 -3.506 -2.338 8.970 319 3HD1 LEU 42 3HD1 LEU 42 -3.079 -0.748 8.329 320 1HD2 LEU 42 1HD2 LEU 42 -3.709 -0.781 12.476 321 2HD2 LEU 42 2HD2 LEU 42 -3.840 -2.381 11.743 322 3HD2 LEU 42 3HD2 LEU 42 -4.966 -1.105 11.280 323 H GLY 43 H GLY 43 0.565 -3.264 10.191 324 1HA GLY 43 2HA GLY 43 3.144 -1.753 10.388 325 2HA GLY 43 1HA GLY 43 2.635 -2.858 11.662 326 H HIS 44 H HIS 44 1.950 -3.614 8.336 327 HA HIS 44 HA HIS 44 4.039 -5.768 8.456 328 1HB HIS 44 2HB HIS 44 1.228 -5.734 7.374 329 2HB HIS 44 1HB HIS 44 2.414 -6.861 6.715 330 HD1 HIS 44 1HD HIS 44 1.681 -9.038 7.764 331 HD2 HIS 44 2HD HIS 44 2.033 -5.975 10.566 332 HE1 HIS 44 1HE HIS 44 1.387 -10.112 10.039 333 H ARG 45 H ARG 45 4.961 -6.376 6.351 334 HA ARG 45 HA ARG 45 5.566 -4.019 4.733 335 1HB ARG 45 2HB ARG 45 7.228 -5.321 3.727 336 2HB ARG 45 1HB ARG 45 7.082 -6.123 5.285 337 1HG ARG 45 2HG ARG 45 5.297 -7.596 4.121 338 2HG ARG 45 1HG ARG 45 5.986 -6.990 2.623 339 1HD ARG 45 2HD ARG 45 7.657 -8.487 2.773 340 2HD ARG 45 1HD ARG 45 8.170 -7.781 4.298 341 HE ARG 45 HE ARG 45 7.062 -10.339 4.050 342 1HH1 ARG 45 1HH2 ARG 45 6.266 -7.426 5.727 343 2HH1 ARG 45 2HH2 ARG 45 5.410 -8.240 6.990 344 1HH2 ARG 45 1HH1 ARG 45 5.954 -11.402 5.687 345 2HH2 ARG 45 2HH1 ARG 45 5.232 -10.486 6.967 346 H HIS 46 H HIS 46 5.174 -3.973 2.358 347 HA HIS 46 HA HIS 46 2.676 -5.465 1.637 348 1HB HIS 46 2HB HIS 46 2.404 -3.514 -0.034 349 2HB HIS 46 1HB HIS 46 2.043 -3.208 1.656 350 HD1 HIS 46 1HD HIS 46 3.957 -1.965 3.065 351 HD2 HIS 46 2HD HIS 46 4.522 -2.011 -1.067 352 HE1 HIS 46 1HE HIS 46 5.732 -0.229 2.565 353 H TYR 47 H TYR 47 2.449 -5.585 -0.813 354 HA TYR 47 HA TYR 47 5.083 -6.041 -2.134 355 1HB TYR 47 2HB TYR 47 2.781 -7.969 -2.358 356 2HB TYR 47 1HB TYR 47 4.469 -8.244 -2.739 357 HD1 TYR 47 1HD TYR 47 5.986 -9.031 -1.070 358 HD2 TYR 47 2HD TYR 47 2.148 -7.491 0.086 359 HE1 TYR 47 1HE TYR 47 6.389 -9.730 1.283 360 HE2 TYR 47 2HE TYR 47 2.560 -8.202 2.417 361 HH TYR 47 HH TYR 47 5.474 -10.028 3.286 362 H GLU 48 H GLU 48 5.101 -5.120 -4.134 363 HA GLU 48 HA GLU 48 2.512 -4.105 -5.212 364 1HB GLU 48 2HB GLU 48 5.379 -3.256 -5.481 365 2HB GLU 48 1HB GLU 48 4.199 -2.759 -6.693 366 1HG GLU 48 2HG GLU 48 2.784 -1.788 -4.930 367 2HG GLU 48 1HG GLU 48 3.951 -2.289 -3.708 368 H ARG 49 H ARG 49 1.956 -4.327 -7.376 369 HA ARG 49 HA ARG 49 3.592 -6.131 -9.074 370 1HB ARG 49 2HB ARG 49 2.023 -7.623 -7.924 371 2HB ARG 49 1HB ARG 49 0.677 -6.617 -8.428 372 1HG ARG 49 2HG ARG 49 2.088 -7.188 -10.808 373 2HG ARG 49 1HG ARG 49 2.043 -8.708 -9.917 374 1HD ARG 49 2HD ARG 49 -0.301 -8.764 -9.896 375 2HD ARG 49 1HD ARG 49 -0.451 -7.043 -10.213 376 HE ARG 49 HE ARG 49 0.837 -8.097 -12.463 377 1HH1 ARG 49 1HH2 ARG 49 -2.097 -8.564 -10.717 378 2HH1 ARG 49 2HH2 ARG 49 -2.983 -9.128 -12.094 379 1HH2 ARG 49 1HH1 ARG 49 -0.302 -8.835 -14.272 380 2HH2 ARG 49 2HH1 ARG 49 -1.968 -9.281 -14.106 381 H LYS 50 H LYS 50 3.547 -5.489 -11.147 382 HA LYS 50 HA LYS 50 3.301 -3.931 -12.867 383 1HB LYS 50 2HB LYS 50 1.211 -4.190 -14.038 384 2HB LYS 50 1HB LYS 50 1.660 -5.753 -13.365 385 1HG LYS 50 2HG LYS 50 -0.193 -5.831 -12.059 386 2HG LYS 50 1HG LYS 50 0.013 -4.174 -11.519 387 1HD LYS 50 2HD LYS 50 -2.089 -4.452 -12.788 388 2HD LYS 50 1HD LYS 50 -0.988 -3.333 -13.590 389 1HE LYS 50 2HE LYS 50 -2.189 -5.280 -14.949 390 2HE LYS 50 1HE LYS 50 -0.532 -4.809 -15.322 391 1HZ LYS 50 1HZ LYS 50 -0.494 -7.123 -15.118 392 2HZ LYS 50 2HZ LYS 50 -1.468 -7.116 -13.727 393 3HZ LYS 50 3HZ LYS 50 0.135 -6.560 -13.647 394 H GLY 51 H GLY 51 2.993 -2.865 -10.135 395 1HA GLY 51 2HA GLY 51 2.800 -0.549 -9.573 396 2HA GLY 51 1HA GLY 51 1.789 -0.320 -10.991 397 H LEU 52 H LEU 52 1.237 -2.875 -8.676 398 HA LEU 52 HA LEU 52 -0.977 -1.348 -7.435 399 1HB LEU 52 2HB LEU 52 -1.260 -3.867 -9.049 400 2HB LEU 52 1HB LEU 52 -2.366 -3.555 -7.716 401 HG LEU 52 HG LEU 52 -1.854 -1.688 -10.048 402 1HD1 LEU 52 1HD1 LEU 52 -3.088 -3.545 -10.874 403 2HD1 LEU 52 2HD1 LEU 52 -4.302 -2.314 -10.519 404 3HD1 LEU 52 3HD1 LEU 52 -4.052 -3.657 -9.401 405 1HD2 LEU 52 1HD2 LEU 52 -4.192 -0.888 -8.867 406 2HD2 LEU 52 2HD2 LEU 52 -2.618 -0.181 -8.504 407 3HD2 LEU 52 3HD2 LEU 52 -3.283 -1.435 -7.455 408 H ALA 53 H ALA 53 -1.317 -1.920 -5.318 409 HA ALA 53 HA ALA 53 0.780 -3.467 -4.061 410 1HB ALA 53 1HB ALA 53 -1.764 -2.247 -2.980 411 2HB ALA 53 2HB ALA 53 -0.129 -1.591 -2.851 412 3HB ALA 53 3HB ALA 53 -0.565 -3.058 -1.965 413 H TYR 54 H TYR 54 0.580 -5.386 -2.882 414 HA TYR 54 HA TYR 54 -1.925 -6.895 -2.973 415 1HB TYR 54 2HB TYR 54 0.543 -7.694 -4.509 416 2HB TYR 54 1HB TYR 54 -0.626 -8.883 -3.957 417 HD1 TYR 54 1HD TYR 54 0.087 -6.241 -6.310 418 HD2 TYR 54 2HD TYR 54 -3.003 -8.751 -4.723 419 HE1 TYR 54 1HE TYR 54 -1.340 -5.680 -8.224 420 HE2 TYR 54 2HE TYR 54 -4.456 -8.168 -6.670 421 HH TYR 54 HH TYR 54 -3.457 -7.030 -9.422 422 H CYS 55 H CYS 55 -1.994 -8.262 -1.164 423 HA CYS 55 HA CYS 55 -0.087 -7.891 0.886 424 1HB CYS 55 2HB CYS 55 -1.899 -10.289 0.391 425 2HB CYS 55 1HB CYS 55 -1.022 -9.997 1.891 426 H GLU 56 H GLU 56 1.114 -10.009 1.794 427 HA GLU 56 HA GLU 56 3.248 -10.652 0.010 428 1HB GLU 56 2HB GLU 56 3.226 -10.827 2.572 429 2HB GLU 56 1HB GLU 56 2.384 -12.353 2.357 430 1HG GLU 56 2HG GLU 56 4.216 -13.326 1.191 431 2HG GLU 56 1HG GLU 56 5.005 -11.767 0.971 432 H THR 57 H THR 57 0.304 -12.402 0.897 433 HA THR 57 HA THR 57 1.022 -14.707 -0.757 434 HB THR 57 HB THR 57 -1.450 -14.052 0.855 435 HG1 THR 57 1HG THR 57 0.165 -16.210 1.421 436 1HG2 THR 57 1HG2 THR 57 -0.723 -16.453 -0.828 437 2HG2 THR 57 2HG2 THR 57 -2.203 -15.494 -0.877 438 3HG2 THR 57 3HG2 THR 57 -1.884 -16.555 0.496 439 H HIS 58 H HIS 58 -1.377 -12.068 -0.961 440 HA HIS 58 HA HIS 58 -2.602 -13.161 -3.306 441 1HB HIS 58 2HB HIS 58 -2.520 -10.312 -2.296 442 2HB HIS 58 1HB HIS 58 -3.555 -10.886 -3.597 443 HD2 HIS 58 2HD HIS 58 -4.530 -13.724 -2.190 444 HE1 HIS 58 1HE HIS 58 -5.985 -11.269 0.920 445 HE2 HIS 58 2HE HIS 58 -6.110 -13.578 -0.123 446 H TYR 59 H TYR 59 -0.038 -10.752 -2.802 447 HA TYR 59 HA TYR 59 0.442 -10.068 -5.473 448 1HB TYR 59 2HB TYR 59 1.714 -9.047 -3.663 449 2HB TYR 59 1HB TYR 59 2.379 -10.599 -3.194 450 HD1 TYR 59 1HD TYR 59 1.885 -9.410 -6.674 451 HD2 TYR 59 2HD TYR 59 4.713 -10.201 -3.543 452 HE1 TYR 59 1HE TYR 59 3.720 -9.134 -8.264 453 HE2 TYR 59 2HE TYR 59 6.570 -9.897 -5.152 454 HH TYR 59 HH TYR 59 6.014 -8.715 -8.398 455 H ASN 60 H ASN 60 1.903 -12.602 -3.526 456 HA ASN 60 HA ASN 60 3.194 -13.879 -5.694 457 1HB ASN 60 2HB ASN 60 2.359 -14.889 -2.970 458 2HB ASN 60 1HB ASN 60 3.273 -15.873 -4.112 459 1HD2 ASN 60 1HD2 ASN 60 4.138 -14.711 -1.444 460 2HD2 ASN 60 2HD2 ASN 60 5.531 -13.807 -1.794 461 H GLN 61 H GLN 61 0.080 -14.539 -4.082 462 HA GLN 61 HA GLN 61 -0.659 -16.805 -5.630 463 1HB GLN 61 2HB GLN 61 -1.995 -15.687 -3.706 464 2HB GLN 61 1HB GLN 61 -2.625 -14.608 -4.952 465 1HG GLN 61 2HG GLN 61 -3.528 -16.482 -6.198 466 2HG GLN 61 1HG GLN 61 -2.772 -17.631 -5.094 467 1HE2 GLN 61 1HE2 GLN 61 -3.439 -17.120 -2.635 468 2HE2 GLN 61 2HE2 GLN 61 -5.093 -16.822 -2.398 469 H LEU 62 H LEU 62 -0.661 -13.397 -6.279 470 HA LEU 62 HA LEU 62 -1.914 -13.609 -8.900 471 1HB LEU 62 2HB LEU 62 -0.674 -11.460 -7.241 472 2HB LEU 62 1HB LEU 62 -0.710 -11.198 -8.976 473 HG LEU 62 HG LEU 62 -3.250 -11.965 -8.680 474 1HD1 LEU 62 1HD1 LEU 62 -4.167 -11.066 -6.568 475 2HD1 LEU 62 2HD1 LEU 62 -2.528 -10.762 -5.997 476 3HD1 LEU 62 3HD1 LEU 62 -3.076 -12.419 -6.275 477 1HD2 LEU 62 1HD2 LEU 62 -2.628 -9.842 -9.618 478 2HD2 LEU 62 2HD2 LEU 62 -2.087 -9.252 -8.048 479 3HD2 LEU 62 3HD2 LEU 62 -3.805 -9.534 -8.343 480 H PHE 63 H PHE 63 1.391 -13.307 -7.661 481 HA PHE 63 HA PHE 63 2.412 -14.438 -10.189 482 1HB PHE 63 2HB PHE 63 2.815 -11.608 -9.320 483 2HB PHE 63 1HB PHE 63 4.190 -12.440 -10.044 484 HD1 PHE 63 1HD PHE 63 0.694 -11.362 -10.577 485 HD2 PHE 63 2HD PHE 63 4.224 -13.003 -12.383 486 HE1 PHE 63 1HE PHE 63 -0.301 -11.032 -12.828 487 HE2 PHE 63 2HE PHE 63 3.235 -12.667 -14.633 488 HZ PHE 63 HZ PHE 63 0.971 -11.680 -14.855 489 H GLY 64 H GLY 64 4.195 -12.522 -7.868 490 1HA GLY 64 2HA GLY 64 5.825 -13.116 -6.283 491 2HA GLY 64 1HA GLY 64 5.086 -14.716 -6.219 492 H ASP 65 H ASP 65 5.522 -14.519 -9.345 493 HA ASP 65 HA ASP 65 8.232 -14.542 -9.994 494 1HB ASP 65 2HB ASP 65 8.507 -17.173 -9.919 495 2HB ASP 65 1HB ASP 65 8.883 -16.205 -8.494 496 H VAL 66 H VAL 66 6.554 -17.534 -10.529 497 HA VAL 66 HA VAL 66 5.988 -18.498 -12.619 498 HB VAL 66 HB VAL 66 3.887 -17.547 -11.728 499 1HG1 VAL 66 1HG1 VAL 66 3.110 -15.359 -12.757 500 2HG1 VAL 66 2HG1 VAL 66 4.772 -15.102 -13.280 501 3HG1 VAL 66 3HG1 VAL 66 4.395 -15.213 -11.561 502 1HG2 VAL 66 1HG2 VAL 66 4.308 -18.498 -14.232 503 2HG2 VAL 66 2HG2 VAL 66 3.675 -16.901 -14.628 504 3HG2 VAL 66 3HG2 VAL 66 2.718 -18.009 -13.649 Start of MODEL 16 1 1H GLY 1 1HT GLY 1 8.582 31.034 6.192 2 2H GLY 1 2HT GLY 1 8.741 30.738 4.526 3 3H GLY 1 3HT GLY 1 9.987 30.297 5.594 4 1HA GLY 1 2HA GLY 1 8.957 28.429 6.294 5 2HA GLY 1 1HA GLY 1 7.359 29.152 6.110 6 H SER 2 H SER 2 7.981 26.566 5.121 7 HA SER 2 HA SER 2 7.035 26.789 2.424 8 1HB SER 2 2HB SER 2 9.228 27.468 1.774 9 2HB SER 2 1HB SER 2 9.988 26.270 2.819 10 HG SER 2 HG SER 2 10.020 25.303 0.890 11 H MET 3 H MET 3 6.291 25.315 4.718 12 HA MET 3 HA MET 3 7.270 22.573 4.451 13 1HB MET 3 2HB MET 3 4.918 23.718 5.988 14 2HB MET 3 1HB MET 3 5.500 22.058 6.121 15 1HG MET 3 2HG MET 3 7.290 24.446 6.607 16 2HG MET 3 1HG MET 3 6.359 23.684 7.896 17 1HE MET 3 1HE MET 3 8.863 23.645 8.892 18 2HE MET 3 2HE MET 3 9.401 21.980 9.098 19 3HE MET 3 3HE MET 3 7.733 22.410 9.462 20 H GLY 4 H GLY 4 5.193 20.910 4.421 21 1HA GLY 4 2HA GLY 4 3.172 21.663 2.449 22 2HA GLY 4 1HA GLY 4 4.391 20.555 1.818 23 H VAL 5 H VAL 5 2.373 19.148 1.625 24 HA VAL 5 HA VAL 5 2.276 17.361 3.960 25 HB VAL 5 HB VAL 5 -0.008 19.094 3.103 26 1HG1 VAL 5 1HG1 VAL 5 -1.062 17.071 2.555 27 2HG1 VAL 5 2HG1 VAL 5 -1.490 17.285 4.256 28 3HG1 VAL 5 3HG1 VAL 5 -0.208 16.174 3.811 29 1HG2 VAL 5 1HG2 VAL 5 -0.560 18.805 5.552 30 2HG2 VAL 5 2HG2 VAL 5 1.001 19.572 5.241 31 3HG2 VAL 5 3HG2 VAL 5 0.931 17.872 5.713 32 HA PRO 6 HA PRO 6 1.954 14.618 0.474 33 1HB PRO 6 2HB PRO 6 1.543 12.359 2.148 34 2HB PRO 6 1HB PRO 6 3.086 12.909 1.490 35 1HG PRO 6 2HG PRO 6 2.204 13.026 4.239 36 2HG PRO 6 1HG PRO 6 3.763 13.503 3.565 37 1HD PRO 6 2HD PRO 6 1.602 15.203 4.466 38 2HD PRO 6 1HD PRO 6 3.203 15.668 3.888 39 H ILE 7 H ILE 7 0.299 13.104 -0.326 40 HA ILE 7 HA ILE 7 -2.301 13.406 1.085 41 HB ILE 7 HB ILE 7 -1.656 14.143 -1.764 42 1HG1 ILE 7 2HG1 ILE 7 -3.294 15.429 0.424 43 2HG1 ILE 7 1HG1 ILE 7 -1.602 15.790 0.142 44 1HG2 ILE 7 1HG2 ILE 7 -3.528 12.704 -2.050 45 2HG2 ILE 7 2HG2 ILE 7 -4.224 14.322 -1.941 46 3HG2 ILE 7 3HG2 ILE 7 -4.269 13.245 -0.544 47 1HD1 ILE 7 1HD1 ILE 7 -3.396 17.349 -0.890 48 2HD1 ILE 7 2HD1 ILE 7 -3.631 16.053 -2.067 49 3HD1 ILE 7 3HD1 ILE 7 -2.056 16.832 -1.915 50 H CYS 8 H CYS 8 -3.110 11.504 1.437 51 HA CYS 8 HA CYS 8 -2.023 9.096 0.492 52 1HB CYS 8 2HB CYS 8 -3.295 9.079 2.510 53 2HB CYS 8 1HB CYS 8 -4.711 9.734 1.698 54 H GLY 9 H GLY 9 -2.059 8.317 -1.493 55 1HA GLY 9 2HA GLY 9 -3.732 9.298 -3.581 56 2HA GLY 9 1HA GLY 9 -2.764 7.830 -3.673 57 H ALA 10 H ALA 10 -4.577 7.465 -0.971 58 HA ALA 10 HA ALA 10 -6.440 5.662 -2.360 59 1HB ALA 10 1HB ALA 10 -6.726 4.620 -0.317 60 2HB ALA 10 2HB ALA 10 -6.593 6.128 0.590 61 3HB ALA 10 3HB ALA 10 -5.145 5.350 -0.044 62 H CYS 11 H CYS 11 -6.722 8.361 -0.049 63 HA CYS 11 HA CYS 11 -9.514 8.790 -1.045 64 1HB CYS 11 2HB CYS 11 -9.624 10.180 1.164 65 2HB CYS 11 1HB CYS 11 -9.682 8.421 1.272 66 H ARG 12 H ARG 12 -6.490 9.891 -1.591 67 HA ARG 12 HA ARG 12 -5.603 11.920 -2.335 68 1HB ARG 12 2HB ARG 12 -8.541 12.303 -3.004 69 2HB ARG 12 1HB ARG 12 -7.276 13.420 -3.509 70 1HG ARG 12 2HG ARG 12 -7.299 12.058 -5.371 71 2HG ARG 12 1HG ARG 12 -6.150 11.148 -4.394 72 1HD ARG 12 2HD ARG 12 -7.771 9.572 -5.207 73 2HD ARG 12 1HD ARG 12 -8.124 9.825 -3.498 74 HE ARG 12 HE ARG 12 -9.721 11.688 -4.781 75 1HH1 ARG 12 1HH2 ARG 12 -9.157 8.294 -5.010 76 2HH1 ARG 12 2HH2 ARG 12 -10.770 7.927 -5.525 77 1HH2 ARG 12 1HH1 ARG 12 -11.829 11.228 -5.453 78 2HH2 ARG 12 2HH1 ARG 12 -12.282 9.588 -5.776 79 H ARG 13 H ARG 13 -6.072 11.737 0.411 80 HA ARG 13 HA ARG 13 -7.023 14.488 1.094 81 1HB ARG 13 2HB ARG 13 -7.187 11.869 2.560 82 2HB ARG 13 1HB ARG 13 -7.169 13.377 3.472 83 1HG ARG 13 2HG ARG 13 -9.080 14.177 2.050 84 2HG ARG 13 1HG ARG 13 -9.156 12.569 1.332 85 1HD ARG 13 2HD ARG 13 -9.333 11.694 3.750 86 2HD ARG 13 1HD ARG 13 -9.678 13.366 4.196 87 HE ARG 13 HE ARG 13 -11.449 12.857 2.128 88 1HH1 ARG 13 1HH2 ARG 13 -10.604 11.370 5.121 89 2HH1 ARG 13 2HH2 ARG 13 -12.187 10.727 5.402 90 1HH2 ARG 13 1HH1 ARG 13 -13.521 12.025 2.476 91 2HH2 ARG 13 2HH1 ARG 13 -13.839 11.098 3.905 92 HA PRO 14 HA PRO 14 -2.867 15.460 2.166 93 1HB PRO 14 2HB PRO 14 -3.713 16.981 4.491 94 2HB PRO 14 1HB PRO 14 -3.094 17.581 2.949 95 1HG PRO 14 2HG PRO 14 -5.776 17.722 3.870 96 2HG PRO 14 1HG PRO 14 -5.159 18.169 2.270 97 1HD PRO 14 2HD PRO 14 -6.800 15.879 2.967 98 2HD PRO 14 1HD PRO 14 -6.230 16.380 1.362 99 H ILE 15 H ILE 15 -1.694 13.795 3.027 100 HA ILE 15 HA ILE 15 -2.574 12.361 5.402 101 HB ILE 15 HB ILE 15 0.107 12.340 3.970 102 1HG1 ILE 15 2HG1 ILE 15 -1.917 10.135 3.880 103 2HG1 ILE 15 1HG1 ILE 15 -2.173 11.557 2.871 104 1HG2 ILE 15 1HG2 ILE 15 -1.033 10.751 6.257 105 2HG2 ILE 15 2HG2 ILE 15 0.580 11.438 6.087 106 3HG2 ILE 15 3HG2 ILE 15 0.128 10.005 5.159 107 1HD1 ILE 15 1HD1 ILE 15 -0.726 9.467 2.017 108 2HD1 ILE 15 2HD1 ILE 15 0.557 10.349 2.850 109 3HD1 ILE 15 3HD1 ILE 15 -0.337 11.122 1.546 110 H GLU 16 H GLU 16 -1.313 12.324 7.476 111 HA GLU 16 HA GLU 16 0.540 14.545 7.952 112 1HB GLU 16 2HB GLU 16 -0.931 15.592 9.721 113 2HB GLU 16 1HB GLU 16 -1.478 15.841 8.063 114 1HG GLU 16 2HG GLU 16 -2.485 13.501 9.676 115 2HG GLU 16 1HG GLU 16 -3.226 15.092 9.837 116 H GLY 17 H GLY 17 1.331 12.141 8.383 117 1HA GLY 17 2HA GLY 17 1.861 11.945 11.190 118 2HA GLY 17 1HA GLY 17 0.660 10.734 10.733 119 H ARG 18 H ARG 18 1.328 8.947 9.665 120 HA ARG 18 HA ARG 18 4.209 8.822 8.858 121 1HB ARG 18 2HB ARG 18 2.323 6.711 9.923 122 2HB ARG 18 1HB ARG 18 3.803 6.292 9.055 123 1HG ARG 18 2HG ARG 18 5.055 7.768 10.695 124 2HG ARG 18 1HG ARG 18 3.563 7.854 11.632 125 1HD ARG 18 2HD ARG 18 4.801 5.222 10.812 126 2HD ARG 18 1HD ARG 18 5.226 6.033 12.320 127 HE ARG 18 HE ARG 18 2.459 5.937 12.383 128 1HH1 ARG 18 1HH2 ARG 18 5.029 3.690 11.907 129 2HH1 ARG 18 2HH2 ARG 18 4.169 2.355 12.600 130 1HH2 ARG 18 1HH1 ARG 18 1.321 4.208 13.292 131 2HH2 ARG 18 2HH1 ARG 18 2.070 2.649 13.384 132 H VAL 19 H VAL 19 4.453 8.792 6.709 133 HA VAL 19 HA VAL 19 2.082 8.195 5.017 134 HB VAL 19 HB VAL 19 4.742 9.430 4.259 135 1HG1 VAL 19 1HG1 VAL 19 2.247 8.745 2.791 136 2HG1 VAL 19 2HG1 VAL 19 3.898 8.901 2.190 137 3HG1 VAL 19 3HG1 VAL 19 2.919 10.343 2.467 138 1HG2 VAL 19 1HG2 VAL 19 3.824 11.540 4.639 139 2HG2 VAL 19 2HG2 VAL 19 3.134 10.626 5.978 140 3HG2 VAL 19 3HG2 VAL 19 2.168 10.947 4.539 141 H VAL 20 H VAL 20 2.348 6.945 3.060 142 HA VAL 20 HA VAL 20 4.566 4.942 3.203 143 HB VAL 20 HB VAL 20 1.624 4.561 2.661 144 1HG1 VAL 20 1HG1 VAL 20 3.962 3.057 1.521 145 2HG1 VAL 20 2HG1 VAL 20 2.415 3.449 0.768 146 3HG1 VAL 20 3HG1 VAL 20 2.509 2.160 1.968 147 1HG2 VAL 20 1HG2 VAL 20 3.617 2.889 4.212 148 2HG2 VAL 20 2HG2 VAL 20 1.858 2.778 4.265 149 3HG2 VAL 20 3HG2 VAL 20 2.673 4.190 4.934 150 H ASN 21 H ASN 21 5.863 5.337 1.475 151 HA ASN 21 HA ASN 21 4.742 6.750 -0.855 152 1HB ASN 21 2HB ASN 21 7.547 5.927 -0.114 153 2HB ASN 21 1HB ASN 21 7.144 6.746 -1.620 154 1HD2 ASN 21 1HD2 ASN 21 5.903 7.266 1.725 155 2HD2 ASN 21 2HD2 ASN 21 6.333 8.908 1.786 156 H ALA 22 H ALA 22 3.656 5.425 -2.214 157 HA ALA 22 HA ALA 22 5.135 3.129 -3.374 158 1HB ALA 22 1HB ALA 22 3.633 2.321 -1.472 159 2HB ALA 22 2HB ALA 22 3.334 1.581 -3.045 160 3HB ALA 22 3HB ALA 22 2.266 2.853 -2.452 161 H MET 23 H MET 23 4.154 2.465 -5.462 162 HA MET 23 HA MET 23 3.245 3.017 -7.553 163 1HB MET 23 2HB MET 23 1.267 4.732 -6.048 164 2HB MET 23 1HB MET 23 1.028 3.889 -7.575 165 1HG MET 23 2HG MET 23 1.614 2.370 -5.032 166 2HG MET 23 1HG MET 23 -0.026 2.846 -5.457 167 1HE MET 23 1HE MET 23 0.598 -0.227 -5.082 168 2HE MET 23 2HE MET 23 2.283 0.221 -5.349 169 3HE MET 23 3HE MET 23 1.530 -1.000 -6.376 170 H GLY 24 H GLY 24 5.052 4.834 -5.885 171 1HA GLY 24 2HA GLY 24 6.249 6.815 -6.360 172 2HA GLY 24 1HA GLY 24 5.335 6.919 -7.868 173 H LYS 25 H LYS 25 3.703 6.535 -4.859 174 HA LYS 25 HA LYS 25 2.860 9.409 -4.871 175 1HB LYS 25 2HB LYS 25 1.124 6.944 -4.530 176 2HB LYS 25 1HB LYS 25 0.571 8.597 -4.297 177 1HG LYS 25 2HG LYS 25 1.800 8.634 -6.817 178 2HG LYS 25 1HG LYS 25 0.926 7.104 -6.779 179 1HD LYS 25 2HD LYS 25 -0.695 8.612 -7.566 180 2HD LYS 25 1HD LYS 25 -1.059 8.514 -5.848 181 1HE LYS 25 2HE LYS 25 -1.056 10.837 -6.313 182 2HE LYS 25 1HE LYS 25 0.521 10.537 -5.584 183 1HZ LYS 25 1HZ LYS 25 1.508 10.440 -7.755 184 2HZ LYS 25 2HZ LYS 25 0.640 11.894 -7.614 185 3HZ LYS 25 3HZ LYS 25 -0.005 10.600 -8.505 186 H GLN 26 H GLN 26 1.040 8.958 -2.736 187 HA GLN 26 HA GLN 26 2.752 8.104 -0.452 188 1HB GLN 26 2HB GLN 26 1.341 10.744 -0.900 189 2HB GLN 26 1HB GLN 26 1.699 10.177 0.724 190 1HG GLN 26 2HG GLN 26 3.968 10.502 0.488 191 2HG GLN 26 1HG GLN 26 3.958 10.022 -1.205 192 1HE2 GLN 26 1HE2 GLN 26 1.523 12.321 -0.823 193 2HE2 GLN 26 2HE2 GLN 26 2.403 13.702 -1.264 194 H TRP 27 H TRP 27 1.428 7.086 1.191 195 HA TRP 27 HA TRP 27 -1.519 7.133 0.687 196 1HB TRP 27 2HB TRP 27 0.128 4.618 1.046 197 2HB TRP 27 1HB TRP 27 -1.613 4.697 0.788 198 HD1 TRP 27 HD TRP 27 1.717 5.324 -1.013 199 HE1 TRP 27 1HE TRP 27 1.286 5.319 -3.556 200 HE3 TRP 27 3HE TRP 27 -3.353 4.985 -1.028 201 HZ2 TRP 27 2HZ TRP 27 -0.938 5.190 -5.358 202 HZ3 TRP 27 3HZ TRP 27 -4.614 4.921 -3.150 203 HH2 TRP 27 HH TRP 27 -3.416 5.024 -5.320 204 H HIS 28 H HIS 28 -2.744 7.050 2.586 205 HA HIS 28 HA HIS 28 -1.489 7.537 5.102 206 1HB HIS 28 2HB HIS 28 -4.208 6.426 4.371 207 2HB HIS 28 1HB HIS 28 -3.699 6.532 6.050 208 HD2 HIS 28 2HD HIS 28 -2.764 9.382 6.633 209 HE1 HIS 28 1HE HIS 28 -5.691 10.910 4.001 210 HE2 HIS 28 2HE HIS 28 -4.081 11.506 5.874 211 H VAL 29 H VAL 29 -0.650 6.072 6.612 212 HA VAL 29 HA VAL 29 0.251 3.545 5.741 213 HB VAL 29 HB VAL 29 -0.094 4.811 8.451 214 1HG1 VAL 29 1HG1 VAL 29 0.716 1.975 7.805 215 2HG1 VAL 29 2HG1 VAL 29 -0.448 2.535 9.005 216 3HG1 VAL 29 3HG1 VAL 29 1.279 2.788 9.266 217 1HG2 VAL 29 1HG2 VAL 29 2.412 3.781 7.130 218 2HG2 VAL 29 2HG2 VAL 29 2.246 5.036 8.352 219 3HG2 VAL 29 3HG2 VAL 29 1.740 5.355 6.692 220 H GLU 30 H GLU 30 -2.839 4.534 6.889 221 HA GLU 30 HA GLU 30 -3.624 1.758 7.533 222 1HB GLU 30 2HB GLU 30 -5.835 2.886 8.133 223 2HB GLU 30 1HB GLU 30 -4.444 3.323 9.125 224 1HG GLU 30 2HG GLU 30 -4.170 5.405 8.009 225 2HG GLU 30 1HG GLU 30 -5.243 4.927 6.693 226 H HIS 31 H HIS 31 -3.938 4.087 4.950 227 HA HIS 31 HA HIS 31 -6.145 2.510 3.726 228 1HB HIS 31 2HB HIS 31 -4.838 5.097 2.828 229 2HB HIS 31 1HB HIS 31 -6.193 4.314 2.023 230 HD2 HIS 31 2HD HIS 31 -7.611 3.559 5.105 231 HE1 HIS 31 1HE HIS 31 -8.127 7.744 5.185 232 HE2 HIS 31 2HE HIS 31 -8.870 5.550 6.217 233 H PHE 32 H PHE 32 -2.762 2.545 3.675 234 HA PHE 32 HA PHE 32 -2.549 1.740 0.859 235 1HB PHE 32 2HB PHE 32 -0.646 2.850 2.192 236 2HB PHE 32 1HB PHE 32 -0.440 1.286 2.982 237 HD1 PHE 32 1HD PHE 32 1.171 -0.116 2.035 238 HD2 PHE 32 2HD PHE 32 -1.020 2.562 -0.515 239 HE1 PHE 32 1HE PHE 32 2.410 -0.963 0.062 240 HE2 PHE 32 2HE PHE 32 0.218 1.710 -2.475 241 HZ PHE 32 HZ PHE 32 1.936 -0.053 -2.189 242 H VAL 33 H VAL 33 -3.573 -0.123 0.424 243 HA VAL 33 HA VAL 33 -3.024 -2.470 2.189 244 HB VAL 33 HB VAL 33 -5.341 -3.173 1.860 245 1HG1 VAL 33 1HG1 VAL 33 -4.572 -0.722 3.243 246 2HG1 VAL 33 2HG1 VAL 33 -5.672 -1.999 3.756 247 3HG1 VAL 33 3HG1 VAL 33 -6.264 -0.681 2.752 248 1HG2 VAL 33 1HG2 VAL 33 -5.512 -0.616 0.243 249 2HG2 VAL 33 2HG2 VAL 33 -6.923 -1.537 0.765 250 3HG2 VAL 33 3HG2 VAL 33 -5.757 -2.263 -0.344 251 H CYS 34 H CYS 34 -3.823 -4.500 1.054 252 HA CYS 34 HA CYS 34 -2.356 -4.905 -1.365 253 1HB CYS 34 2HB CYS 34 -2.729 -6.814 -0.068 254 2HB CYS 34 1HB CYS 34 -4.431 -6.455 0.164 255 H ALA 35 H ALA 35 -3.140 -5.150 -3.519 256 HA ALA 35 HA ALA 35 -5.587 -3.585 -4.062 257 1HB ALA 35 1HB ALA 35 -3.726 -4.804 -6.095 258 2HB ALA 35 2HB ALA 35 -3.327 -3.305 -5.256 259 3HB ALA 35 3HB ALA 35 -4.766 -3.394 -6.277 260 H LYS 36 H LYS 36 -5.605 -6.440 -2.996 261 HA LYS 36 HA LYS 36 -7.435 -7.534 -5.089 262 1HB LYS 36 2HB LYS 36 -5.386 -8.838 -5.281 263 2HB LYS 36 1HB LYS 36 -5.327 -9.078 -3.543 264 1HG LYS 36 2HG LYS 36 -6.201 -11.068 -4.763 265 2HG LYS 36 1HG LYS 36 -7.361 -10.417 -3.611 266 1HD LYS 36 2HD LYS 36 -8.411 -10.989 -5.791 267 2HD LYS 36 1HD LYS 36 -8.561 -9.277 -5.419 268 1HE LYS 36 2HE LYS 36 -6.898 -8.673 -6.991 269 2HE LYS 36 1HE LYS 36 -6.264 -10.316 -7.074 270 1HZ LYS 36 1HZ LYS 36 -8.892 -9.381 -8.085 271 2HZ LYS 36 2HZ LYS 36 -8.384 -11.003 -8.071 272 3HZ LYS 36 3HZ LYS 36 -7.561 -9.860 -9.020 273 H CYS 37 H CYS 37 -6.520 -7.366 -1.686 274 HA CYS 37 HA CYS 37 -9.274 -8.339 -0.984 275 1HB CYS 37 2HB CYS 37 -8.293 -9.338 1.040 276 2HB CYS 37 1HB CYS 37 -7.508 -9.973 -0.405 277 H GLU 38 H GLU 38 -6.838 -5.909 -0.573 278 HA GLU 38 HA GLU 38 -7.023 -3.813 0.403 279 1HB GLU 38 2HB GLU 38 -9.705 -4.542 1.565 280 2HB GLU 38 1HB GLU 38 -9.101 -2.957 1.091 281 1HG GLU 38 2HG GLU 38 -8.944 -4.177 -1.304 282 2HG GLU 38 1HG GLU 38 -10.258 -5.123 -0.605 283 H LYS 39 H LYS 39 -5.603 -5.773 1.695 284 HA LYS 39 HA LYS 39 -6.387 -5.537 4.557 285 1HB LYS 39 2HB LYS 39 -5.411 -7.701 3.158 286 2HB LYS 39 1HB LYS 39 -3.949 -7.071 3.907 287 1HG LYS 39 2HG LYS 39 -4.619 -8.276 5.720 288 2HG LYS 39 1HG LYS 39 -5.728 -6.946 6.004 289 1HD LYS 39 2HD LYS 39 -7.469 -8.110 4.699 290 2HD LYS 39 1HD LYS 39 -6.356 -9.447 4.408 291 1HE LYS 39 2HE LYS 39 -7.409 -8.524 7.097 292 2HE LYS 39 1HE LYS 39 -7.801 -10.034 6.273 293 1HZ LYS 39 1HZ LYS 39 -5.216 -10.302 6.310 294 2HZ LYS 39 2HZ LYS 39 -6.152 -10.727 7.663 295 3HZ LYS 39 3HZ LYS 39 -5.326 -9.243 7.630 296 HA PRO 40 HA PRO 40 -3.421 -2.148 4.317 297 1HB PRO 40 2HB PRO 40 -3.884 -1.442 6.997 298 2HB PRO 40 1HB PRO 40 -4.619 -0.696 5.596 299 1HG PRO 40 2HG PRO 40 -5.826 -2.449 7.558 300 2HG PRO 40 1HG PRO 40 -6.619 -1.580 6.248 301 1HD PRO 40 2HD PRO 40 -6.061 -4.397 6.410 302 2HD PRO 40 1HD PRO 40 -6.804 -3.528 5.058 303 H PHE 41 H PHE 41 -1.323 -2.057 4.815 304 HA PHE 41 HA PHE 41 -0.249 -4.077 6.731 305 1HB PHE 41 2HB PHE 41 1.554 -2.310 5.123 306 2HB PHE 41 1HB PHE 41 1.764 -3.993 5.593 307 HD1 PHE 41 1HD PHE 41 -0.136 -1.734 3.330 308 HD2 PHE 41 2HD PHE 41 1.065 -5.762 4.192 309 HE1 PHE 41 1HE PHE 41 -0.991 -2.462 1.116 310 HE2 PHE 41 2HE PHE 41 0.207 -6.488 1.992 311 HZ PHE 41 HZ PHE 41 -0.819 -4.848 0.448 312 H LEU 42 H LEU 42 -1.442 -2.267 8.223 313 HA LEU 42 HA LEU 42 -0.442 0.210 8.854 314 1HB LEU 42 2HB LEU 42 -1.344 -2.073 10.579 315 2HB LEU 42 1HB LEU 42 -0.648 -0.654 11.360 316 HG LEU 42 HG LEU 42 -2.292 0.791 10.208 317 1HD1 LEU 42 1HD1 LEU 42 -2.607 -0.374 8.172 318 2HD1 LEU 42 2HD1 LEU 42 -4.170 -0.406 8.997 319 3HD1 LEU 42 3HD1 LEU 42 -3.133 -1.837 9.007 320 1HD2 LEU 42 1HD2 LEU 42 -3.093 0.069 12.324 321 2HD2 LEU 42 2HD2 LEU 42 -3.336 -1.584 11.757 322 3HD2 LEU 42 3HD2 LEU 42 -4.415 -0.298 11.214 323 H GLY 43 H GLY 43 0.960 -2.815 10.118 324 1HA GLY 43 2HA GLY 43 3.630 -1.472 10.137 325 2HA GLY 43 1HA GLY 43 3.078 -2.369 11.551 326 H HIS 44 H HIS 44 2.306 -3.410 8.303 327 HA HIS 44 HA HIS 44 4.129 -5.762 8.704 328 1HB HIS 44 2HB HIS 44 1.375 -5.502 7.521 329 2HB HIS 44 1HB HIS 44 2.435 -6.804 6.985 330 HD1 HIS 44 1HD HIS 44 1.308 -8.755 8.162 331 HD2 HIS 44 2HD HIS 44 2.206 -5.623 10.759 332 HE1 HIS 44 1HE HIS 44 0.877 -9.621 10.502 333 H ARG 45 H ARG 45 4.382 -6.846 6.339 334 HA ARG 45 HA ARG 45 5.659 -4.729 4.684 335 1HB ARG 45 2HB ARG 45 7.172 -6.506 5.129 336 2HB ARG 45 1HB ARG 45 5.941 -7.736 4.848 337 1HG ARG 45 2HG ARG 45 5.959 -7.362 2.491 338 2HG ARG 45 1HG ARG 45 6.877 -5.866 2.662 339 1HD ARG 45 2HD ARG 45 8.768 -7.244 3.623 340 2HD ARG 45 1HD ARG 45 7.857 -8.686 3.174 341 HE ARG 45 HE ARG 45 7.971 -7.220 0.825 342 1HH1 ARG 45 1HH2 ARG 45 10.223 -8.374 3.168 343 2HH1 ARG 45 2HH2 ARG 45 11.516 -8.558 2.030 344 1HH2 ARG 45 1HH1 ARG 45 9.646 -7.454 -0.674 345 2HH2 ARG 45 2HH1 ARG 45 11.189 -8.038 -0.145 346 H HIS 46 H HIS 46 5.106 -4.452 2.483 347 HA HIS 46 HA HIS 46 2.613 -5.871 1.614 348 1HB HIS 46 2HB HIS 46 2.349 -3.814 0.097 349 2HB HIS 46 1HB HIS 46 2.021 -3.595 1.809 350 HD1 HIS 46 1HD HIS 46 3.801 -2.276 3.215 351 HD2 HIS 46 2HD HIS 46 4.661 -2.490 -0.861 352 HE1 HIS 46 1HE HIS 46 5.653 -0.602 2.785 353 H TYR 47 H TYR 47 2.429 -5.896 -0.828 354 HA TYR 47 HA TYR 47 5.097 -6.293 -2.117 355 1HB TYR 47 2HB TYR 47 2.720 -8.129 -2.437 356 2HB TYR 47 1HB TYR 47 4.362 -8.411 -2.979 357 HD1 TYR 47 1HD TYR 47 5.859 -9.579 -1.573 358 HD2 TYR 47 2HD TYR 47 2.406 -7.683 0.140 359 HE1 TYR 47 1HE TYR 47 6.439 -10.495 0.659 360 HE2 TYR 47 2HE TYR 47 2.999 -8.597 2.357 361 HH TYR 47 HH TYR 47 6.045 -9.983 3.010 362 H GLU 48 H GLU 48 5.192 -5.511 -4.214 363 HA GLU 48 HA GLU 48 2.710 -4.197 -5.239 364 1HB GLU 48 2HB GLU 48 5.642 -3.615 -5.492 365 2HB GLU 48 1HB GLU 48 4.529 -3.016 -6.723 366 1HG GLU 48 2HG GLU 48 3.215 -1.859 -5.036 367 2HG GLU 48 1HG GLU 48 4.211 -2.535 -3.747 368 H ARG 49 H ARG 49 2.067 -4.433 -7.375 369 HA ARG 49 HA ARG 49 3.605 -6.198 -9.173 370 1HB ARG 49 2HB ARG 49 2.187 -7.739 -7.819 371 2HB ARG 49 1HB ARG 49 0.763 -6.893 -8.406 372 1HG ARG 49 2HG ARG 49 2.345 -7.511 -10.694 373 2HG ARG 49 1HG ARG 49 2.261 -8.975 -9.717 374 1HD ARG 49 2HD ARG 49 0.375 -8.738 -11.367 375 2HD ARG 49 1HD ARG 49 -0.148 -8.908 -9.696 376 HE ARG 49 HE ARG 49 0.008 -6.164 -10.075 377 1HH1 ARG 49 1HH2 ARG 49 -1.512 -8.838 -11.633 378 2HH1 ARG 49 2HH2 ARG 49 -2.867 -7.914 -12.191 379 1HH2 ARG 49 1HH1 ARG 49 -1.752 -4.942 -10.795 380 2HH2 ARG 49 2HH1 ARG 49 -3.003 -5.708 -11.717 381 H LYS 50 H LYS 50 3.415 -5.454 -11.202 382 HA LYS 50 HA LYS 50 2.738 -4.118 -12.987 383 1HB LYS 50 2HB LYS 50 0.064 -5.029 -11.899 384 2HB LYS 50 1HB LYS 50 0.256 -4.178 -13.430 385 1HG LYS 50 2HG LYS 50 1.963 -6.029 -14.025 386 2HG LYS 50 1HG LYS 50 1.266 -6.920 -12.671 387 1HD LYS 50 2HD LYS 50 -0.920 -6.898 -13.682 388 2HD LYS 50 1HD LYS 50 -0.389 -5.780 -14.938 389 1HE LYS 50 2HE LYS 50 -0.481 -8.095 -15.792 390 2HE LYS 50 1HE LYS 50 1.171 -7.479 -15.802 391 1HZ LYS 50 1HZ LYS 50 0.024 -9.630 -14.276 392 2HZ LYS 50 2HZ LYS 50 0.949 -8.557 -13.339 393 3HZ LYS 50 3HZ LYS 50 1.644 -9.333 -14.682 394 H GLY 51 H GLY 51 2.996 -2.940 -10.225 395 1HA GLY 51 2HA GLY 51 2.940 -0.641 -9.608 396 2HA GLY 51 1HA GLY 51 1.865 -0.341 -10.969 397 H LEU 52 H LEU 52 1.297 -2.878 -8.659 398 HA LEU 52 HA LEU 52 -0.760 -1.260 -7.268 399 1HB LEU 52 2HB LEU 52 -1.262 -3.720 -8.920 400 2HB LEU 52 1HB LEU 52 -2.277 -3.388 -7.520 401 HG LEU 52 HG LEU 52 -1.804 -1.502 -9.846 402 1HD1 LEU 52 1HD1 LEU 52 -4.328 -1.994 -10.131 403 2HD1 LEU 52 2HD1 LEU 52 -4.034 -3.393 -9.096 404 3HD1 LEU 52 3HD1 LEU 52 -3.194 -3.245 -10.639 405 1HD2 LEU 52 1HD2 LEU 52 -2.379 0.013 -8.224 406 2HD2 LEU 52 2HD2 LEU 52 -3.070 -1.222 -7.169 407 3HD2 LEU 52 3HD2 LEU 52 -4.011 -0.587 -8.520 408 H ALA 53 H ALA 53 -1.093 -1.928 -5.155 409 HA ALA 53 HA ALA 53 1.004 -3.592 -4.036 410 1HB ALA 53 1HB ALA 53 -1.429 -2.260 -2.840 411 2HB ALA 53 2HB ALA 53 0.257 -1.752 -2.696 412 3HB ALA 53 3HB ALA 53 -0.298 -3.218 -1.879 413 H TYR 54 H TYR 54 0.718 -5.535 -2.856 414 HA TYR 54 HA TYR 54 -1.866 -6.907 -2.972 415 1HB TYR 54 2HB TYR 54 0.549 -7.824 -4.530 416 2HB TYR 54 1HB TYR 54 -0.712 -8.939 -4.023 417 HD1 TYR 54 1HD TYR 54 0.227 -6.316 -6.313 418 HD2 TYR 54 2HD TYR 54 -3.084 -8.569 -4.773 419 HE1 TYR 54 1HE TYR 54 -1.134 -5.599 -8.221 420 HE2 TYR 54 2HE TYR 54 -4.470 -7.819 -6.712 421 HH TYR 54 HH TYR 54 -3.279 -6.631 -9.464 422 H CYS 55 H CYS 55 -2.003 -8.409 -1.267 423 HA CYS 55 HA CYS 55 -0.113 -8.188 0.828 424 1HB CYS 55 2HB CYS 55 -2.048 -10.444 0.202 425 2HB CYS 55 1HB CYS 55 -1.128 -10.335 1.699 426 H GLU 56 H GLU 56 1.034 -10.348 1.653 427 HA GLU 56 HA GLU 56 3.114 -11.018 -0.202 428 1HB GLU 56 2HB GLU 56 3.233 -11.204 2.332 429 2HB GLU 56 1HB GLU 56 2.260 -12.660 2.195 430 1HG GLU 56 2HG GLU 56 3.938 -13.809 0.977 431 2HG GLU 56 1HG GLU 56 4.823 -12.324 0.636 432 H THR 57 H THR 57 0.095 -12.599 0.695 433 HA THR 57 HA THR 57 0.677 -14.959 -0.943 434 HB THR 57 HB THR 57 -1.778 -14.144 0.624 435 HG1 THR 57 1HG THR 57 0.238 -16.086 1.077 436 1HG2 THR 57 1HG2 THR 57 -2.543 -15.586 -1.113 437 2HG2 THR 57 2HG2 THR 57 -2.340 -16.618 0.303 438 3HG2 THR 57 3HG2 THR 57 -1.124 -16.623 -0.974 439 H HIS 58 H HIS 58 -1.605 -12.209 -1.122 440 HA HIS 58 HA HIS 58 -2.827 -13.179 -3.517 441 1HB HIS 58 2HB HIS 58 -2.618 -10.366 -2.419 442 2HB HIS 58 1HB HIS 58 -3.673 -10.854 -3.745 443 HD2 HIS 58 2HD HIS 58 -4.815 -13.668 -2.454 444 HE1 HIS 58 1HE HIS 58 -6.114 -11.280 0.775 445 HE2 HIS 58 2HE HIS 58 -6.376 -13.529 -0.373 446 H TYR 59 H TYR 59 -0.191 -10.883 -2.890 447 HA TYR 59 HA TYR 59 0.399 -10.114 -5.497 448 1HB TYR 59 2HB TYR 59 1.676 -9.254 -3.629 449 2HB TYR 59 1HB TYR 59 2.225 -10.859 -3.194 450 HD1 TYR 59 1HD TYR 59 1.950 -9.499 -6.640 451 HD2 TYR 59 2HD TYR 59 4.587 -10.608 -3.436 452 HE1 TYR 59 1HE TYR 59 3.871 -9.275 -8.139 453 HE2 TYR 59 2HE TYR 59 6.527 -10.364 -4.956 454 HH TYR 59 HH TYR 59 6.371 -10.389 -8.142 455 H ASN 60 H ASN 60 1.674 -12.835 -3.671 456 HA ASN 60 HA ASN 60 2.916 -14.063 -5.912 457 1HB ASN 60 2HB ASN 60 2.114 -15.068 -3.187 458 2HB ASN 60 1HB ASN 60 2.817 -16.154 -4.386 459 1HD2 ASN 60 1HD2 ASN 60 3.507 -13.455 -2.229 460 2HD2 ASN 60 2HD2 ASN 60 5.183 -13.434 -2.490 461 H GLN 61 H GLN 61 -0.225 -14.640 -4.315 462 HA GLN 61 HA GLN 61 -1.057 -16.799 -5.978 463 1HB GLN 61 2HB GLN 61 -2.306 -15.678 -3.955 464 2HB GLN 61 1HB GLN 61 -2.990 -14.621 -5.192 465 1HG GLN 61 2HG GLN 61 -4.526 -16.438 -4.960 466 2HG GLN 61 1HG GLN 61 -3.639 -16.742 -6.454 467 1HE2 GLN 61 1HE2 GLN 61 -2.535 -17.275 -3.075 468 2HE2 GLN 61 2HE2 GLN 61 -2.292 -18.944 -3.257 469 H LEU 62 H LEU 62 -0.901 -13.367 -6.450 470 HA LEU 62 HA LEU 62 -2.249 -13.383 -9.036 471 1HB LEU 62 2HB LEU 62 -0.829 -11.375 -7.330 472 2HB LEU 62 1HB LEU 62 -0.970 -11.026 -9.045 473 HG LEU 62 HG LEU 62 -3.532 -11.791 -8.502 474 1HD1 LEU 62 1HD1 LEU 62 -2.416 -10.534 -5.989 475 2HD1 LEU 62 2HD1 LEU 62 -3.291 -12.061 -6.136 476 3HD1 LEU 62 3HD1 LEU 62 -4.132 -10.534 -6.383 477 1HD2 LEU 62 1HD2 LEU 62 -4.001 -9.327 -8.323 478 2HD2 LEU 62 2HD2 LEU 62 -2.965 -9.769 -9.680 479 3HD2 LEU 62 3HD2 LEU 62 -2.259 -9.066 -8.223 480 H PHE 63 H PHE 63 1.065 -13.464 -7.853 481 HA PHE 63 HA PHE 63 1.987 -14.452 -10.455 482 1HB PHE 63 2HB PHE 63 2.572 -11.688 -9.463 483 2HB PHE 63 1HB PHE 63 3.841 -12.551 -10.327 484 HD1 PHE 63 1HD PHE 63 0.602 -10.913 -10.570 485 HD2 PHE 63 2HD PHE 63 3.467 -13.321 -12.669 486 HE1 PHE 63 1HE PHE 63 -0.524 -10.377 -12.720 487 HE2 PHE 63 2HE PHE 63 2.348 -12.787 -14.817 488 HZ PHE 63 HZ PHE 63 0.352 -11.315 -14.842 489 H GLY 64 H GLY 64 3.825 -12.720 -8.002 490 1HA GLY 64 2HA GLY 64 5.240 -13.583 -6.291 491 2HA GLY 64 1HA GLY 64 4.761 -15.215 -6.758 492 H ASP 65 H ASP 65 5.414 -13.992 -9.620 493 HA ASP 65 HA ASP 65 7.184 -14.490 -11.106 494 1HB ASP 65 2HB ASP 65 9.126 -13.109 -10.709 495 2HB ASP 65 1HB ASP 65 7.710 -12.214 -10.155 496 H VAL 66 H VAL 66 6.714 -16.722 -9.543 497 HA VAL 66 HA VAL 66 9.165 -17.605 -8.230 498 HB VAL 66 HB VAL 66 7.001 -18.484 -7.497 499 1HG1 VAL 66 1HG1 VAL 66 6.833 -19.722 -10.262 500 2HG1 VAL 66 2HG1 VAL 66 5.892 -18.330 -9.727 501 3HG1 VAL 66 3HG1 VAL 66 5.654 -19.901 -8.963 502 1HG2 VAL 66 1HG2 VAL 66 9.128 -19.915 -7.479 503 2HG2 VAL 66 2HG2 VAL 66 8.475 -20.722 -8.905 504 3HG2 VAL 66 3HG2 VAL 66 7.603 -20.794 -7.373 Start of MODEL 17 1 1H GLY 1 1HT GLY 1 3.193 26.025 4.022 2 2H GLY 1 2HT GLY 1 4.644 26.360 4.840 3 3H GLY 1 3HT GLY 1 4.536 25.011 3.813 4 1HA GLY 1 2HA GLY 1 4.490 27.872 3.027 5 2HA GLY 1 1HA GLY 1 5.743 26.687 2.657 6 H SER 2 H SER 2 5.151 24.888 1.224 7 HA SER 2 HA SER 2 2.620 24.795 -0.138 8 1HB SER 2 2HB SER 2 3.147 26.778 -1.291 9 2HB SER 2 1HB SER 2 4.858 26.374 -1.393 10 HG SER 2 HG SER 2 3.555 24.429 -2.578 11 H MET 3 H MET 3 5.400 23.448 0.818 12 HA MET 3 HA MET 3 5.054 21.144 -0.990 13 1HB MET 3 2HB MET 3 7.667 22.670 -0.767 14 2HB MET 3 1HB MET 3 7.516 21.066 -1.484 15 1HG MET 3 2HG MET 3 5.733 22.085 -3.017 16 2HG MET 3 1HG MET 3 6.296 23.657 -2.451 17 1HE MET 3 1HE MET 3 7.461 24.836 -4.339 18 2HE MET 3 2HE MET 3 6.377 23.723 -5.169 19 3HE MET 3 3HE MET 3 8.028 23.933 -5.750 20 H GLY 4 H GLY 4 4.299 20.784 1.436 21 1HA GLY 4 2HA GLY 4 6.368 19.116 2.665 22 2HA GLY 4 1HA GLY 4 5.900 20.506 3.644 23 H VAL 5 H VAL 5 3.825 18.553 1.524 24 HA VAL 5 HA VAL 5 2.559 17.257 3.837 25 HB VAL 5 HB VAL 5 1.348 19.559 2.390 26 1HG1 VAL 5 1HG1 VAL 5 -0.937 18.582 3.003 27 2HG1 VAL 5 2HG1 VAL 5 -0.128 17.015 3.080 28 3HG1 VAL 5 3HG1 VAL 5 -0.167 17.920 1.562 29 1HG2 VAL 5 1HG2 VAL 5 1.069 18.290 5.130 30 2HG2 VAL 5 2HG2 VAL 5 0.123 19.685 4.606 31 3HG2 VAL 5 3HG2 VAL 5 1.881 19.808 4.734 32 HA PRO 6 HA PRO 6 2.223 14.402 0.414 33 1HB PRO 6 2HB PRO 6 1.617 12.268 2.148 34 2HB PRO 6 1HB PRO 6 3.234 12.723 1.604 35 1HG PRO 6 2HG PRO 6 2.126 12.993 4.266 36 2HG PRO 6 1HG PRO 6 3.759 13.367 3.713 37 1HD PRO 6 2HD PRO 6 1.558 15.200 4.288 38 2HD PRO 6 1HD PRO 6 3.255 15.567 3.969 39 H ILE 7 H ILE 7 0.511 12.945 -0.340 40 HA ILE 7 HA ILE 7 -2.134 13.471 0.920 41 HB ILE 7 HB ILE 7 -1.319 13.971 -1.939 42 1HG1 ILE 7 2HG1 ILE 7 -2.953 15.534 0.062 43 2HG1 ILE 7 1HG1 ILE 7 -1.226 15.751 -0.156 44 1HG2 ILE 7 1HG2 ILE 7 -4.028 13.329 -0.775 45 2HG2 ILE 7 2HG2 ILE 7 -3.268 12.651 -2.214 46 3HG2 ILE 7 3HG2 ILE 7 -3.863 14.311 -2.232 47 1HD1 ILE 7 1HD1 ILE 7 -2.792 17.359 -1.413 48 2HD1 ILE 7 2HD1 ILE 7 -3.165 15.985 -2.456 49 3HD1 ILE 7 3HD1 ILE 7 -1.510 16.592 -2.353 50 H CYS 8 H CYS 8 -3.051 11.617 1.345 51 HA CYS 8 HA CYS 8 -2.049 9.118 0.470 52 1HB CYS 8 2HB CYS 8 -3.294 9.279 2.540 53 2HB CYS 8 1HB CYS 8 -4.724 9.828 1.678 54 H GLY 9 H GLY 9 -2.167 8.312 -1.496 55 1HA GLY 9 2HA GLY 9 -3.876 9.298 -3.544 56 2HA GLY 9 1HA GLY 9 -2.980 7.783 -3.630 57 H ALA 10 H ALA 10 -4.644 7.532 -0.852 58 HA ALA 10 HA ALA 10 -6.695 5.838 -2.109 59 1HB ALA 10 1HB ALA 10 -6.598 6.266 0.848 60 2HB ALA 10 2HB ALA 10 -5.239 5.436 0.098 61 3HB ALA 10 3HB ALA 10 -6.865 4.780 -0.063 62 H CYS 11 H CYS 11 -6.453 8.852 -0.320 63 HA CYS 11 HA CYS 11 -9.376 9.297 -0.805 64 1HB CYS 11 2HB CYS 11 -8.171 10.817 1.417 65 2HB CYS 11 1HB CYS 11 -9.703 9.954 1.356 66 H ARG 12 H ARG 12 -6.325 10.201 -1.693 67 HA ARG 12 HA ARG 12 -5.421 12.165 -2.611 68 1HB ARG 12 2HB ARG 12 -8.360 12.734 -3.150 69 2HB ARG 12 1HB ARG 12 -6.995 13.503 -3.958 70 1HG ARG 12 2HG ARG 12 -7.225 10.504 -3.985 71 2HG ARG 12 1HG ARG 12 -8.201 11.458 -5.100 72 1HD ARG 12 2HD ARG 12 -5.182 11.592 -4.841 73 2HD ARG 12 1HD ARG 12 -6.070 10.814 -6.150 74 HE ARG 12 HE ARG 12 -7.033 13.412 -6.152 75 1HH1 ARG 12 1HH2 ARG 12 -3.944 11.885 -6.252 76 2HH1 ARG 12 2HH2 ARG 12 -3.206 13.139 -7.193 77 1HH2 ARG 12 1HH1 ARG 12 -6.088 15.059 -7.380 78 2HH2 ARG 12 2HH1 ARG 12 -4.421 14.936 -7.831 79 H ARG 13 H ARG 13 -6.066 12.076 0.187 80 HA ARG 13 HA ARG 13 -6.800 14.918 0.749 81 1HB ARG 13 2HB ARG 13 -8.269 13.067 1.690 82 2HB ARG 13 1HB ARG 13 -6.888 12.571 2.665 83 1HG ARG 13 2HG ARG 13 -6.818 14.786 3.715 84 2HG ARG 13 1HG ARG 13 -8.171 15.316 2.714 85 1HD ARG 13 2HD ARG 13 -8.194 13.154 4.827 86 2HD ARG 13 1HD ARG 13 -9.064 14.687 4.857 87 HE ARG 13 HE ARG 13 -9.988 13.449 2.557 88 1HH1 ARG 13 1HH2 ARG 13 -9.676 12.622 5.890 89 2HH1 ARG 13 2HH2 ARG 13 -11.057 11.578 5.898 90 1HH2 ARG 13 1HH1 ARG 13 -11.794 12.088 2.548 91 2HH2 ARG 13 2HH1 ARG 13 -12.256 11.275 4.006 92 HA PRO 14 HA PRO 14 -2.556 15.494 1.827 93 1HB PRO 14 2HB PRO 14 -3.298 17.256 4.025 94 2HB PRO 14 1HB PRO 14 -2.496 17.642 2.504 95 1HG PRO 14 2HG PRO 14 -5.175 18.256 3.184 96 2HG PRO 14 1HG PRO 14 -4.407 18.446 1.599 97 1HD PRO 14 2HD PRO 14 -6.402 16.501 2.385 98 2HD PRO 14 1HD PRO 14 -5.689 16.747 0.785 99 H ILE 15 H ILE 15 -1.560 13.830 2.820 100 HA ILE 15 HA ILE 15 -2.640 12.547 5.194 101 HB ILE 15 HB ILE 15 0.104 12.338 3.907 102 1HG1 ILE 15 2HG1 ILE 15 -1.856 10.107 3.916 103 2HG1 ILE 15 1HG1 ILE 15 -2.262 11.484 2.893 104 1HG2 ILE 15 1HG2 ILE 15 -0.028 10.096 5.291 105 2HG2 ILE 15 2HG2 ILE 15 -1.150 11.014 6.294 106 3HG2 ILE 15 3HG2 ILE 15 0.503 11.582 6.085 107 1HD1 ILE 15 1HD1 ILE 15 -0.340 11.232 1.574 108 2HD1 ILE 15 2HD1 ILE 15 -0.799 9.560 1.893 109 3HD1 ILE 15 3HD1 ILE 15 0.508 10.310 2.810 110 H GLU 16 H GLU 16 -1.447 12.512 7.334 111 HA GLU 16 HA GLU 16 0.488 14.604 7.874 112 1HB GLU 16 2HB GLU 16 -1.177 15.848 9.451 113 2HB GLU 16 1HB GLU 16 -1.220 16.203 7.723 114 1HG GLU 16 2HG GLU 16 -3.147 14.868 7.379 115 2HG GLU 16 1HG GLU 16 -2.965 14.059 8.937 116 H GLY 17 H GLY 17 1.136 12.359 8.661 117 1HA GLY 17 2HA GLY 17 1.370 12.255 11.423 118 2HA GLY 17 1HA GLY 17 -0.087 11.324 11.079 119 H ARG 18 H ARG 18 0.330 9.910 8.987 120 HA ARG 18 HA ARG 18 3.013 8.633 9.106 121 1HB ARG 18 2HB ARG 18 0.560 7.525 10.169 122 2HB ARG 18 1HB ARG 18 1.106 6.551 8.810 123 1HG ARG 18 2HG ARG 18 3.332 6.331 9.833 124 2HG ARG 18 1HG ARG 18 2.821 7.351 11.179 125 1HD ARG 18 2HD ARG 18 1.300 5.725 11.985 126 2HD ARG 18 1HD ARG 18 1.326 4.826 10.468 127 HE ARG 18 HE ARG 18 3.949 4.707 11.350 128 1HH1 ARG 18 1HH2 ARG 18 0.836 4.017 12.662 129 2HH1 ARG 18 2HH2 ARG 18 1.405 2.745 13.690 130 1HH2 ARG 18 1HH1 ARG 18 4.710 3.050 12.686 131 2HH2 ARG 18 2HH1 ARG 18 3.598 2.198 13.705 132 H VAL 19 H VAL 19 3.710 8.135 7.040 133 HA VAL 19 HA VAL 19 1.647 8.180 4.862 134 HB VAL 19 HB VAL 19 4.466 9.289 4.713 135 1HG1 VAL 19 1HG1 VAL 19 2.289 8.799 2.735 136 2HG1 VAL 19 2HG1 VAL 19 4.036 8.837 2.497 137 3HG1 VAL 19 3HG1 VAL 19 3.126 10.346 2.609 138 1HG2 VAL 19 1HG2 VAL 19 2.581 10.525 6.094 139 2HG2 VAL 19 2HG2 VAL 19 1.972 10.934 4.493 140 3HG2 VAL 19 3HG2 VAL 19 3.592 11.434 4.971 141 H VAL 20 H VAL 20 2.214 6.991 2.954 142 HA VAL 20 HA VAL 20 4.377 4.965 3.293 143 HB VAL 20 HB VAL 20 1.474 4.504 2.620 144 1HG1 VAL 20 1HG1 VAL 20 2.454 2.109 2.028 145 2HG1 VAL 20 2HG1 VAL 20 3.894 3.041 1.618 146 3HG1 VAL 20 3HG1 VAL 20 2.368 3.369 0.797 147 1HG2 VAL 20 1HG2 VAL 20 1.751 2.659 4.217 148 2HG2 VAL 20 2HG2 VAL 20 2.262 4.185 4.935 149 3HG2 VAL 20 3HG2 VAL 20 3.469 3.036 4.366 150 H ASN 21 H ASN 21 5.736 5.331 1.606 151 HA ASN 21 HA ASN 21 4.729 6.738 -0.766 152 1HB ASN 21 2HB ASN 21 7.476 5.693 -0.065 153 2HB ASN 21 1HB ASN 21 7.107 6.649 -1.497 154 1HD2 ASN 21 1HD2 ASN 21 5.740 7.107 1.785 155 2HD2 ASN 21 2HD2 ASN 21 6.384 8.663 2.005 156 H ALA 22 H ALA 22 3.560 5.455 -2.120 157 HA ALA 22 HA ALA 22 4.908 3.044 -3.218 158 1HB ALA 22 1HB ALA 22 2.135 3.119 -2.004 159 2HB ALA 22 2HB ALA 22 3.481 2.078 -1.534 160 3HB ALA 22 3HB ALA 22 2.678 1.837 -3.086 161 H MET 23 H MET 23 3.992 2.443 -5.332 162 HA MET 23 HA MET 23 3.190 3.030 -7.458 163 1HB MET 23 2HB MET 23 1.220 4.804 -6.010 164 2HB MET 23 1HB MET 23 1.005 3.984 -7.554 165 1HG MET 23 2HG MET 23 1.438 2.440 -4.991 166 2HG MET 23 1HG MET 23 -0.166 2.944 -5.512 167 1HE MET 23 1HE MET 23 2.058 0.273 -5.250 168 2HE MET 23 2HE MET 23 1.357 -0.930 -6.332 169 3HE MET 23 3HE MET 23 0.344 -0.147 -5.119 170 H GLY 24 H GLY 24 5.042 4.740 -5.778 171 1HA GLY 24 2HA GLY 24 6.325 6.673 -6.217 172 2HA GLY 24 1HA GLY 24 5.408 6.856 -7.715 173 H LYS 25 H LYS 25 3.454 6.414 -5.014 174 HA LYS 25 HA LYS 25 2.881 9.351 -4.830 175 1HB LYS 25 2HB LYS 25 0.995 6.994 -4.517 176 2HB LYS 25 1HB LYS 25 0.547 8.687 -4.348 177 1HG LYS 25 2HG LYS 25 1.878 8.486 -6.845 178 2HG LYS 25 1HG LYS 25 0.782 7.106 -6.764 179 1HD LYS 25 2HD LYS 25 -1.048 8.705 -6.078 180 2HD LYS 25 1HD LYS 25 0.065 10.029 -6.421 181 1HE LYS 25 2HE LYS 25 -0.635 7.892 -8.448 182 2HE LYS 25 1HE LYS 25 -1.493 9.428 -8.330 183 1HZ LYS 25 1HZ LYS 25 1.168 10.090 -8.323 184 2HZ LYS 25 2HZ LYS 25 0.084 10.264 -9.620 185 3HZ LYS 25 3HZ LYS 25 1.044 8.868 -9.492 186 H GLN 26 H GLN 26 1.051 9.005 -2.696 187 HA GLN 26 HA GLN 26 2.731 7.977 -0.447 188 1HB GLN 26 2HB GLN 26 1.449 10.690 -0.798 189 2HB GLN 26 1HB GLN 26 1.785 10.053 0.806 190 1HG GLN 26 2HG GLN 26 4.057 10.299 0.576 191 2HG GLN 26 1HG GLN 26 4.034 9.816 -1.115 192 1HE2 GLN 26 1HE2 GLN 26 1.717 12.230 -0.793 193 2HE2 GLN 26 2HE2 GLN 26 2.672 13.565 -1.212 194 H TRP 27 H TRP 27 1.397 7.025 1.230 195 HA TRP 27 HA TRP 27 -1.550 7.196 0.795 196 1HB TRP 27 2HB TRP 27 -0.038 4.590 1.084 197 2HB TRP 27 1HB TRP 27 -1.773 4.777 0.842 198 HD1 TRP 27 HD TRP 27 1.570 5.360 -0.974 199 HE1 TRP 27 1HE TRP 27 1.119 5.387 -3.513 200 HE3 TRP 27 3HE TRP 27 -3.500 5.035 -0.944 201 HZ2 TRP 27 2HZ TRP 27 -1.129 5.287 -5.295 202 HZ3 TRP 27 3HZ TRP 27 -4.787 5.000 -3.050 203 HH2 TRP 27 HH TRP 27 -3.608 5.126 -5.232 204 H HIS 28 H HIS 28 -2.746 7.060 2.711 205 HA HIS 28 HA HIS 28 -1.456 7.539 5.207 206 1HB HIS 28 2HB HIS 28 -4.164 6.368 4.508 207 2HB HIS 28 1HB HIS 28 -3.648 6.560 6.181 208 HD2 HIS 28 2HD HIS 28 -2.739 9.462 6.602 209 HE1 HIS 28 1HE HIS 28 -5.728 10.811 3.940 210 HE2 HIS 28 2HE HIS 28 -4.092 11.528 5.747 211 H VAL 29 H VAL 29 -0.681 6.007 6.767 212 HA VAL 29 HA VAL 29 0.213 3.482 5.795 213 HB VAL 29 HB VAL 29 -0.006 4.694 8.542 214 1HG1 VAL 29 1HG1 VAL 29 1.369 2.634 9.255 215 2HG1 VAL 29 2HG1 VAL 29 0.734 1.866 7.799 216 3HG1 VAL 29 3HG1 VAL 29 -0.371 2.417 9.059 217 1HG2 VAL 29 1HG2 VAL 29 2.401 3.683 7.015 218 2HG2 VAL 29 2HG2 VAL 29 2.381 4.793 8.380 219 3HG2 VAL 29 3HG2 VAL 29 1.774 5.321 6.808 220 H GLU 30 H GLU 30 -2.816 4.486 7.058 221 HA GLU 30 HA GLU 30 -3.614 1.735 7.775 222 1HB GLU 30 2HB GLU 30 -5.340 4.218 7.774 223 2HB GLU 30 1HB GLU 30 -5.624 2.710 8.645 224 1HG GLU 30 2HG GLU 30 -3.414 3.151 9.834 225 2HG GLU 30 1HG GLU 30 -3.485 4.779 9.165 226 H HIS 31 H HIS 31 -3.860 3.933 5.109 227 HA HIS 31 HA HIS 31 -6.080 2.339 3.926 228 1HB HIS 31 2HB HIS 31 -4.862 4.897 2.862 229 2HB HIS 31 1HB HIS 31 -6.422 4.185 2.439 230 HD2 HIS 31 2HD HIS 31 -6.882 3.583 5.897 231 HE1 HIS 31 1HE HIS 31 -7.405 7.766 5.825 232 HE2 HIS 31 2HE HIS 31 -7.798 5.658 7.177 233 H PHE 32 H PHE 32 -2.714 2.381 3.842 234 HA PHE 32 HA PHE 32 -2.530 1.680 0.989 235 1HB PHE 32 2HB PHE 32 -0.613 2.771 2.302 236 2HB PHE 32 1HB PHE 32 -0.391 1.202 3.080 237 HD1 PHE 32 1HD PHE 32 1.187 -0.214 2.101 238 HD2 PHE 32 2HD PHE 32 -0.995 2.524 -0.392 239 HE1 PHE 32 1HE PHE 32 2.401 -1.045 0.106 240 HE2 PHE 32 2HE PHE 32 0.220 1.687 -2.375 241 HZ PHE 32 HZ PHE 32 1.920 -0.099 -2.129 242 H VAL 33 H VAL 33 -3.541 -0.193 0.518 243 HA VAL 33 HA VAL 33 -2.950 -2.569 2.231 244 HB VAL 33 HB VAL 33 -5.263 -3.288 1.912 245 1HG1 VAL 33 1HG1 VAL 33 -5.586 -2.150 3.831 246 2HG1 VAL 33 2HG1 VAL 33 -6.201 -0.820 2.857 247 3HG1 VAL 33 3HG1 VAL 33 -4.505 -0.852 3.331 248 1HG2 VAL 33 1HG2 VAL 33 -5.471 -0.707 0.338 249 2HG2 VAL 33 2HG2 VAL 33 -6.870 -1.643 0.863 250 3HG2 VAL 33 3HG2 VAL 33 -5.713 -2.347 -0.268 251 H CYS 34 H CYS 34 -3.726 -4.586 1.084 252 HA CYS 34 HA CYS 34 -2.299 -4.952 -1.365 253 1HB CYS 34 2HB CYS 34 -2.607 -6.869 -0.067 254 2HB CYS 34 1HB CYS 34 -4.309 -6.542 0.208 255 H ALA 35 H ALA 35 -3.127 -5.221 -3.503 256 HA ALA 35 HA ALA 35 -5.628 -3.715 -3.993 257 1HB ALA 35 1HB ALA 35 -3.384 -3.372 -5.218 258 2HB ALA 35 2HB ALA 35 -4.844 -3.466 -6.209 259 3HB ALA 35 3HB ALA 35 -3.778 -4.863 -6.076 260 H LYS 36 H LYS 36 -5.577 -6.534 -2.916 261 HA LYS 36 HA LYS 36 -7.368 -7.726 -4.992 262 1HB LYS 36 2HB LYS 36 -5.176 -8.883 -5.092 263 2HB LYS 36 1HB LYS 36 -5.294 -9.247 -3.376 264 1HG LYS 36 2HG LYS 36 -5.999 -11.183 -4.695 265 2HG LYS 36 1HG LYS 36 -7.375 -10.527 -3.812 266 1HD LYS 36 2HD LYS 36 -8.356 -9.632 -5.738 267 2HD LYS 36 1HD LYS 36 -6.824 -9.567 -6.609 268 1HE LYS 36 2HE LYS 36 -8.392 -11.388 -7.390 269 2HE LYS 36 1HE LYS 36 -6.799 -11.961 -6.892 270 1HZ LYS 36 1HZ LYS 36 -8.527 -13.337 -5.951 271 2HZ LYS 36 2HZ LYS 36 -9.263 -11.983 -5.233 272 3HZ LYS 36 3HZ LYS 36 -7.727 -12.494 -4.716 273 H CYS 37 H CYS 37 -6.459 -7.418 -1.603 274 HA CYS 37 HA CYS 37 -9.171 -8.470 -0.860 275 1HB CYS 37 2HB CYS 37 -8.164 -9.491 1.125 276 2HB CYS 37 1HB CYS 37 -7.352 -10.079 -0.325 277 H GLU 38 H GLU 38 -6.808 -5.983 -0.556 278 HA GLU 38 HA GLU 38 -6.962 -3.915 0.474 279 1HB GLU 38 2HB GLU 38 -9.619 -4.670 1.676 280 2HB GLU 38 1HB GLU 38 -9.037 -3.079 1.194 281 1HG GLU 38 2HG GLU 38 -8.922 -4.233 -1.209 282 2HG GLU 38 1HG GLU 38 -10.155 -5.278 -0.502 283 H LYS 39 H LYS 39 -5.497 -5.852 1.705 284 HA LYS 39 HA LYS 39 -6.235 -5.709 4.585 285 1HB LYS 39 2HB LYS 39 -5.534 -7.909 3.427 286 2HB LYS 39 1HB LYS 39 -3.902 -7.242 3.435 287 1HG LYS 39 2HG LYS 39 -5.375 -7.075 6.014 288 2HG LYS 39 1HG LYS 39 -4.941 -8.692 5.492 289 1HD LYS 39 2HD LYS 39 -2.877 -6.508 5.401 290 2HD LYS 39 1HD LYS 39 -3.238 -7.305 6.931 291 1HE LYS 39 2HE LYS 39 -2.558 -9.424 6.122 292 2HE LYS 39 1HE LYS 39 -2.629 -8.899 4.440 293 1HZ LYS 39 1HZ LYS 39 -0.692 -7.685 4.647 294 2HZ LYS 39 2HZ LYS 39 -0.356 -9.055 5.594 295 3HZ LYS 39 3HZ LYS 39 -0.793 -7.591 6.338 296 HA PRO 40 HA PRO 40 -3.324 -2.268 4.374 297 1HB PRO 40 2HB PRO 40 -3.785 -1.606 7.065 298 2HB PRO 40 1HB PRO 40 -4.543 -0.855 5.678 299 1HG PRO 40 2HG PRO 40 -5.704 -2.654 7.626 300 2HG PRO 40 1HG PRO 40 -6.522 -1.783 6.333 301 1HD PRO 40 2HD PRO 40 -5.911 -4.592 6.452 302 2HD PRO 40 1HD PRO 40 -6.684 -3.719 5.120 303 H PHE 41 H PHE 41 -1.226 -2.170 4.852 304 HA PHE 41 HA PHE 41 -0.117 -4.186 6.750 305 1HB PHE 41 2HB PHE 41 1.654 -2.401 5.127 306 2HB PHE 41 1HB PHE 41 1.884 -4.084 5.591 307 HD1 PHE 41 1HD PHE 41 -0.052 -1.834 3.351 308 HD2 PHE 41 2HD PHE 41 1.175 -5.857 4.200 309 HE1 PHE 41 1HE PHE 41 -0.929 -2.567 1.146 310 HE2 PHE 41 2HE PHE 41 0.296 -6.588 2.009 311 HZ PHE 41 HZ PHE 41 -0.756 -4.952 0.476 312 H LEU 42 H LEU 42 -1.313 -2.395 8.257 313 HA LEU 42 HA LEU 42 -0.338 0.091 8.886 314 1HB LEU 42 2HB LEU 42 -1.195 -2.207 10.612 315 2HB LEU 42 1HB LEU 42 -0.508 -0.785 11.391 316 HG LEU 42 HG LEU 42 -2.180 0.645 10.262 317 1HD1 LEU 42 1HD1 LEU 42 -4.055 -0.568 9.064 318 2HD1 LEU 42 2HD1 LEU 42 -3.004 -1.989 9.061 319 3HD1 LEU 42 3HD1 LEU 42 -2.503 -0.516 8.225 320 1HD2 LEU 42 1HD2 LEU 42 -3.182 -1.746 11.813 321 2HD2 LEU 42 2HD2 LEU 42 -4.281 -0.470 11.285 322 3HD2 LEU 42 3HD2 LEU 42 -2.952 -0.093 12.383 323 H GLY 43 H GLY 43 1.113 -2.921 10.127 324 1HA GLY 43 2HA GLY 43 3.767 -1.546 10.123 325 2HA GLY 43 1HA GLY 43 3.240 -2.449 11.542 326 H HIS 44 H HIS 44 2.450 -3.495 8.301 327 HA HIS 44 HA HIS 44 4.295 -5.832 8.686 328 1HB HIS 44 2HB HIS 44 1.535 -5.591 7.515 329 2HB HIS 44 1HB HIS 44 2.602 -6.884 6.971 330 HD1 HIS 44 1HD HIS 44 1.479 -8.840 8.148 331 HD2 HIS 44 2HD HIS 44 2.395 -5.715 10.748 332 HE1 HIS 44 1HE HIS 44 1.067 -9.713 10.490 333 H ARG 45 H ARG 45 4.457 -6.909 6.273 334 HA ARG 45 HA ARG 45 5.768 -4.792 4.639 335 1HB ARG 45 2HB ARG 45 7.244 -6.613 5.087 336 2HB ARG 45 1HB ARG 45 5.997 -7.809 4.739 337 1HG ARG 45 2HG ARG 45 6.040 -7.276 2.383 338 2HG ARG 45 1HG ARG 45 7.097 -5.893 2.663 339 1HD ARG 45 2HD ARG 45 8.777 -7.564 3.638 340 2HD ARG 45 1HD ARG 45 7.760 -8.828 2.947 341 HE ARG 45 HE ARG 45 8.211 -7.109 0.822 342 1HH1 ARG 45 1HH2 ARG 45 10.139 -8.785 3.137 343 2HH1 ARG 45 2HH2 ARG 45 11.491 -8.973 2.072 344 1HH2 ARG 45 1HH1 ARG 45 9.967 -7.345 -0.582 345 2HH2 ARG 45 2HH1 ARG 45 11.394 -8.158 -0.033 346 H HIS 46 H HIS 46 5.230 -4.528 2.419 347 HA HIS 46 HA HIS 46 2.712 -5.910 1.560 348 1HB HIS 46 2HB HIS 46 2.415 -3.821 0.096 349 2HB HIS 46 1HB HIS 46 2.111 -3.640 1.817 350 HD1 HIS 46 1HD HIS 46 3.938 -2.371 3.230 351 HD2 HIS 46 2HD HIS 46 4.673 -2.434 -0.875 352 HE1 HIS 46 1HE HIS 46 5.765 -0.670 2.804 353 H TYR 47 H TYR 47 2.500 -5.898 -0.868 354 HA TYR 47 HA TYR 47 5.149 -6.220 -2.211 355 1HB TYR 47 2HB TYR 47 2.798 -8.096 -2.530 356 2HB TYR 47 1HB TYR 47 4.439 -8.337 -3.099 357 HD1 TYR 47 1HD TYR 47 5.972 -9.510 -1.735 358 HD2 TYR 47 2HD TYR 47 2.525 -7.682 0.063 359 HE1 TYR 47 1HE TYR 47 6.614 -10.430 0.478 360 HE2 TYR 47 2HE TYR 47 3.183 -8.599 2.262 361 HH TYR 47 HH TYR 47 6.261 -10.270 2.704 362 H GLU 48 H GLU 48 5.192 -5.377 -4.286 363 HA GLU 48 HA GLU 48 2.649 -4.116 -5.243 364 1HB GLU 48 2HB GLU 48 5.535 -3.335 -5.362 365 2HB GLU 48 1HB GLU 48 4.457 -2.773 -6.640 366 1HG GLU 48 2HG GLU 48 2.946 -1.813 -4.956 367 2HG GLU 48 1HG GLU 48 4.009 -2.376 -3.668 368 H ARG 49 H ARG 49 1.963 -4.369 -7.324 369 HA ARG 49 HA ARG 49 3.646 -5.820 -9.260 370 1HB ARG 49 2HB ARG 49 2.462 -7.629 -8.068 371 2HB ARG 49 1HB ARG 49 0.920 -6.865 -8.456 372 1HG ARG 49 2HG ARG 49 1.202 -7.191 -10.787 373 2HG ARG 49 1HG ARG 49 2.914 -7.557 -10.608 374 1HD ARG 49 2HD ARG 49 1.685 -9.475 -9.026 375 2HD ARG 49 1HD ARG 49 0.601 -9.333 -10.402 376 HE ARG 49 HE ARG 49 3.037 -10.729 -10.451 377 1HH1 ARG 49 1HH2 ARG 49 1.590 -8.100 -12.149 378 2HH1 ARG 49 2HH2 ARG 49 2.533 -8.342 -13.580 379 1HH2 ARG 49 1HH1 ARG 49 4.263 -11.057 -12.305 380 2HH2 ARG 49 2HH1 ARG 49 4.041 -10.014 -13.670 381 H LYS 50 H LYS 50 3.223 -5.173 -11.316 382 HA LYS 50 HA LYS 50 2.357 -3.838 -13.023 383 1HB LYS 50 2HB LYS 50 -0.092 -5.020 -11.716 384 2HB LYS 50 1HB LYS 50 -0.245 -3.918 -13.085 385 1HG LYS 50 2HG LYS 50 1.367 -5.424 -14.341 386 2HG LYS 50 1HG LYS 50 1.201 -6.574 -13.016 387 1HD LYS 50 2HD LYS 50 -1.308 -6.473 -13.382 388 2HD LYS 50 1HD LYS 50 -0.977 -5.568 -14.859 389 1HE LYS 50 2HE LYS 50 -0.008 -8.365 -14.206 390 2HE LYS 50 1HE LYS 50 -1.212 -7.927 -15.417 391 1HZ LYS 50 1HZ LYS 50 1.681 -7.684 -15.504 392 2HZ LYS 50 2HZ LYS 50 0.811 -6.385 -16.168 393 3HZ LYS 50 3HZ LYS 50 0.577 -7.960 -16.761 394 H GLY 51 H GLY 51 2.766 -2.700 -10.233 395 1HA GLY 51 2HA GLY 51 2.667 -0.427 -9.545 396 2HA GLY 51 1HA GLY 51 1.559 -0.113 -10.877 397 H LEU 52 H LEU 52 1.117 -2.724 -8.632 398 HA LEU 52 HA LEU 52 -0.985 -1.227 -7.173 399 1HB LEU 52 2HB LEU 52 -1.389 -3.684 -8.858 400 2HB LEU 52 1HB LEU 52 -2.407 -3.411 -7.449 401 HG LEU 52 HG LEU 52 -2.036 -1.486 -9.762 402 1HD1 LEU 52 1HD1 LEU 52 -3.357 -3.282 -10.553 403 2HD1 LEU 52 2HD1 LEU 52 -4.540 -2.083 -10.025 404 3HD1 LEU 52 3HD1 LEU 52 -4.176 -3.476 -9.003 405 1HD2 LEU 52 1HD2 LEU 52 -3.284 -1.277 -7.069 406 2HD2 LEU 52 2HD2 LEU 52 -4.266 -0.674 -8.406 407 3HD2 LEU 52 3HD2 LEU 52 -2.659 -0.007 -8.123 408 H ALA 53 H ALA 53 -1.226 -1.932 -5.067 409 HA ALA 53 HA ALA 53 0.944 -3.552 -4.024 410 1HB ALA 53 1HB ALA 53 -1.501 -2.314 -2.757 411 2HB ALA 53 2HB ALA 53 0.171 -1.761 -2.633 412 3HB ALA 53 3HB ALA 53 -0.326 -3.257 -1.834 413 H TYR 54 H TYR 54 0.746 -5.535 -2.887 414 HA TYR 54 HA TYR 54 -1.803 -6.978 -2.996 415 1HB TYR 54 2HB TYR 54 0.632 -7.790 -4.586 416 2HB TYR 54 1HB TYR 54 -0.592 -8.951 -4.091 417 HD1 TYR 54 1HD TYR 54 0.280 -6.353 -6.408 418 HD2 TYR 54 2HD TYR 54 -3.003 -8.555 -4.747 419 HE1 TYR 54 1HE TYR 54 -1.125 -5.652 -8.283 420 HE2 TYR 54 2HE TYR 54 -4.437 -7.826 -6.660 421 HH TYR 54 HH TYR 54 -3.285 -6.646 -9.464 422 H CYS 55 H CYS 55 -1.890 -8.469 -1.287 423 HA CYS 55 HA CYS 55 0.050 -8.254 0.766 424 1HB CYS 55 2HB CYS 55 -1.893 -10.513 0.173 425 2HB CYS 55 1HB CYS 55 -0.940 -10.405 1.650 426 H GLU 56 H GLU 56 1.232 -10.420 1.540 427 HA GLU 56 HA GLU 56 3.250 -11.057 -0.390 428 1HB GLU 56 2HB GLU 56 3.637 -11.281 2.038 429 2HB GLU 56 1HB GLU 56 2.424 -12.540 2.127 430 1HG GLU 56 2HG GLU 56 4.885 -13.285 2.026 431 2HG GLU 56 1HG GLU 56 3.759 -14.082 0.933 432 H THR 57 H THR 57 0.280 -12.665 0.616 433 HA THR 57 HA THR 57 0.796 -15.010 -1.061 434 HB THR 57 HB THR 57 -1.575 -14.192 0.627 435 HG1 THR 57 1HG THR 57 0.162 -16.381 0.970 436 1HG2 THR 57 1HG2 THR 57 -2.218 -16.647 0.250 437 2HG2 THR 57 2HG2 THR 57 -1.094 -16.615 -1.109 438 3HG2 THR 57 3HG2 THR 57 -2.494 -15.543 -1.098 439 H HIS 58 H HIS 58 -1.410 -12.207 -1.172 440 HA HIS 58 HA HIS 58 -2.748 -13.177 -3.519 441 1HB HIS 58 2HB HIS 58 -2.517 -10.385 -2.380 442 2HB HIS 58 1HB HIS 58 -3.594 -10.841 -3.698 443 HD2 HIS 58 2HD HIS 58 -4.671 -13.710 -2.431 444 HE1 HIS 58 1HE HIS 58 -5.957 -11.385 0.847 445 HE2 HIS 58 2HE HIS 58 -6.197 -13.625 -0.321 446 H TYR 59 H TYR 59 -0.080 -10.892 -2.976 447 HA TYR 59 HA TYR 59 0.426 -10.134 -5.625 448 1HB TYR 59 2HB TYR 59 1.734 -9.241 -3.779 449 2HB TYR 59 1HB TYR 59 2.306 -10.836 -3.344 450 HD1 TYR 59 1HD TYR 59 1.975 -9.545 -6.809 451 HD2 TYR 59 2HD TYR 59 4.657 -10.511 -3.599 452 HE1 TYR 59 1HE TYR 59 3.875 -9.290 -8.320 453 HE2 TYR 59 2HE TYR 59 6.582 -10.237 -5.134 454 HH TYR 59 HH TYR 59 7.175 -10.072 -7.323 455 H ASN 60 H ASN 60 1.723 -12.820 -3.769 456 HA ASN 60 HA ASN 60 2.956 -14.094 -5.985 457 1HB ASN 60 2HB ASN 60 2.066 -15.161 -3.297 458 2HB ASN 60 1HB ASN 60 2.965 -16.126 -4.465 459 1HD2 ASN 60 1HD2 ASN 60 3.832 -15.102 -1.745 460 2HD2 ASN 60 2HD2 ASN 60 5.254 -14.223 -2.040 461 H GLN 61 H GLN 61 -0.171 -14.664 -4.353 462 HA GLN 61 HA GLN 61 -1.045 -16.839 -5.949 463 1HB GLN 61 2HB GLN 61 -2.304 -15.706 -3.987 464 2HB GLN 61 1HB GLN 61 -2.886 -14.561 -5.196 465 1HG GLN 61 2HG GLN 61 -3.937 -16.318 -6.461 466 2HG GLN 61 1HG GLN 61 -3.185 -17.562 -5.461 467 1HE2 GLN 61 1HE2 GLN 61 -3.697 -17.063 -2.925 468 2HE2 GLN 61 2HE2 GLN 61 -5.337 -16.761 -2.607 469 H LEU 62 H LEU 62 -1.054 -13.392 -6.503 470 HA LEU 62 HA LEU 62 -2.320 -13.463 -9.092 471 1HB LEU 62 2HB LEU 62 -0.793 -11.480 -7.463 472 2HB LEU 62 1HB LEU 62 -0.859 -11.191 -9.192 473 HG LEU 62 HG LEU 62 -3.439 -11.620 -8.877 474 1HD1 LEU 62 1HD1 LEU 62 -4.266 -10.896 -6.694 475 2HD1 LEU 62 2HD1 LEU 62 -2.614 -10.691 -6.116 476 3HD1 LEU 62 3HD1 LEU 62 -3.225 -12.305 -6.496 477 1HD2 LEU 62 1HD2 LEU 62 -2.029 -9.113 -7.942 478 2HD2 LEU 62 2HD2 LEU 62 -3.728 -9.200 -8.416 479 3HD2 LEU 62 3HD2 LEU 62 -2.463 -9.501 -9.606 480 H PHE 63 H PHE 63 1.012 -13.553 -7.950 481 HA PHE 63 HA PHE 63 1.875 -14.737 -10.508 482 1HB PHE 63 2HB PHE 63 2.527 -11.969 -9.607 483 2HB PHE 63 1HB PHE 63 3.810 -12.888 -10.382 484 HD1 PHE 63 1HD PHE 63 0.444 -11.460 -10.797 485 HD2 PHE 63 2HD PHE 63 3.699 -13.467 -12.741 486 HE1 PHE 63 1HE PHE 63 -0.578 -10.968 -13.007 487 HE2 PHE 63 2HE PHE 63 2.683 -12.979 -14.952 488 HZ PHE 63 HZ PHE 63 0.544 -11.729 -15.085 489 H GLY 64 H GLY 64 3.934 -12.979 -8.322 490 1HA GLY 64 2HA GLY 64 5.386 -13.735 -6.609 491 2HA GLY 64 1HA GLY 64 4.669 -15.340 -6.750 492 H ASP 65 H ASP 65 5.246 -14.722 -9.822 493 HA ASP 65 HA ASP 65 8.105 -14.864 -10.076 494 1HB ASP 65 2HB ASP 65 7.855 -17.065 -9.056 495 2HB ASP 65 1HB ASP 65 6.589 -17.488 -10.209 496 H VAL 66 H VAL 66 7.582 -13.381 -11.773 497 HA VAL 66 HA VAL 66 5.720 -13.872 -13.865 498 HB VAL 66 HB VAL 66 7.324 -12.310 -15.186 499 1HG1 VAL 66 1HG1 VAL 66 5.366 -11.378 -14.198 500 2HG1 VAL 66 2HG1 VAL 66 6.699 -10.376 -13.626 501 3HG1 VAL 66 3HG1 VAL 66 5.995 -11.598 -12.566 502 1HG2 VAL 66 1HG2 VAL 66 9.269 -12.983 -13.652 503 2HG2 VAL 66 2HG2 VAL 66 8.519 -11.956 -12.430 504 3HG2 VAL 66 3HG2 VAL 66 9.072 -11.256 -13.950 Start of MODEL 18 1 1H GLY 1 1HT GLY 1 6.285 28.384 -4.216 2 2H GLY 1 2HT GLY 1 5.006 29.460 -4.516 3 3H GLY 1 3HT GLY 1 4.694 27.804 -4.304 4 1HA GLY 1 2HA GLY 1 6.092 29.053 -2.102 5 2HA GLY 1 1HA GLY 1 4.447 29.636 -2.368 6 H SER 2 H SER 2 2.800 27.799 -2.751 7 HA SER 2 HA SER 2 2.985 25.962 -0.506 8 1HB SER 2 2HB SER 2 0.953 25.957 -2.753 9 2HB SER 2 1HB SER 2 0.768 25.245 -1.153 10 HG SER 2 HG SER 2 -0.212 27.347 -1.405 11 H MET 3 H MET 3 3.833 23.936 -0.553 12 HA MET 3 HA MET 3 3.583 22.132 -2.761 13 1HB MET 3 2HB MET 3 6.096 22.077 -3.297 14 2HB MET 3 1HB MET 3 5.179 23.432 -3.958 15 1HG MET 3 2HG MET 3 5.987 24.926 -2.290 16 2HG MET 3 1HG MET 3 6.598 23.605 -1.295 17 1HE MET 3 1HE MET 3 8.621 25.210 -1.136 18 2HE MET 3 2HE MET 3 10.056 24.657 -1.997 19 3HE MET 3 3HE MET 3 9.095 23.507 -1.070 20 H GLY 4 H GLY 4 2.950 21.321 -0.451 21 1HA GLY 4 2HA GLY 4 5.075 19.498 0.408 22 2HA GLY 4 1HA GLY 4 4.620 20.689 1.628 23 H VAL 5 H VAL 5 3.919 18.742 2.863 24 HA VAL 5 HA VAL 5 2.244 17.336 3.676 25 HB VAL 5 HB VAL 5 0.786 19.545 2.309 26 1HG1 VAL 5 1HG1 VAL 5 -0.636 17.805 1.545 27 2HG1 VAL 5 2HG1 VAL 5 -1.374 18.370 3.044 28 3HG1 VAL 5 3HG1 VAL 5 -0.431 16.880 3.037 29 1HG2 VAL 5 1HG2 VAL 5 0.755 18.257 5.052 30 2HG2 VAL 5 2HG2 VAL 5 -0.331 19.566 4.582 31 3HG2 VAL 5 3HG2 VAL 5 1.414 19.837 4.622 32 HA PRO 6 HA PRO 6 1.982 14.481 0.247 33 1HB PRO 6 2HB PRO 6 1.508 12.316 1.994 34 2HB PRO 6 1HB PRO 6 3.088 12.837 1.403 35 1HG PRO 6 2HG PRO 6 2.057 13.054 4.096 36 2HG PRO 6 1HG PRO 6 3.650 13.511 3.494 37 1HD PRO 6 2HD PRO 6 1.382 15.231 4.149 38 2HD PRO 6 1HD PRO 6 3.047 15.682 3.773 39 H ILE 7 H ILE 7 0.325 12.946 -0.483 40 HA ILE 7 HA ILE 7 -2.298 13.333 0.855 41 HB ILE 7 HB ILE 7 -1.621 13.906 -2.025 42 1HG1 ILE 7 2HG1 ILE 7 -3.264 15.338 0.066 43 2HG1 ILE 7 1HG1 ILE 7 -1.568 15.668 -0.225 44 1HG2 ILE 7 1HG2 ILE 7 -4.189 14.091 -2.229 45 2HG2 ILE 7 2HG2 ILE 7 -4.251 13.102 -0.769 46 3HG2 ILE 7 3HG2 ILE 7 -3.507 12.466 -2.236 47 1HD1 ILE 7 1HD1 ILE 7 -1.996 16.595 -2.340 48 2HD1 ILE 7 2HD1 ILE 7 -3.366 17.159 -1.378 49 3HD1 ILE 7 3HD1 ILE 7 -3.561 15.791 -2.478 50 H CYS 8 H CYS 8 -3.100 11.444 1.299 51 HA CYS 8 HA CYS 8 -2.015 8.992 0.459 52 1HB CYS 8 2HB CYS 8 -3.326 9.124 2.477 53 2HB CYS 8 1HB CYS 8 -4.743 9.638 1.576 54 H GLY 9 H GLY 9 -2.008 8.207 -1.531 55 1HA GLY 9 2HA GLY 9 -3.670 9.106 -3.647 56 2HA GLY 9 1HA GLY 9 -2.728 7.618 -3.682 57 H ALA 10 H ALA 10 -4.493 7.309 -0.984 58 HA ALA 10 HA ALA 10 -6.418 5.532 -2.306 59 1HB ALA 10 1HB ALA 10 -6.522 6.063 0.634 60 2HB ALA 10 2HB ALA 10 -5.094 5.252 -0.002 61 3HB ALA 10 3HB ALA 10 -6.686 4.539 -0.237 62 H CYS 11 H CYS 11 -6.715 8.149 0.101 63 HA CYS 11 HA CYS 11 -9.499 8.610 -0.856 64 1HB CYS 11 2HB CYS 11 -9.440 10.192 1.237 65 2HB CYS 11 1HB CYS 11 -9.548 8.449 1.480 66 H ARG 12 H ARG 12 -6.452 9.699 -1.544 67 HA ARG 12 HA ARG 12 -5.625 11.647 -2.530 68 1HB ARG 12 2HB ARG 12 -8.575 11.860 -3.178 69 2HB ARG 12 1HB ARG 12 -7.394 13.030 -3.759 70 1HG ARG 12 2HG ARG 12 -7.183 10.042 -4.218 71 2HG ARG 12 1HG ARG 12 -7.873 11.168 -5.386 72 1HD ARG 12 2HD ARG 12 -5.469 12.378 -4.774 73 2HD ARG 12 1HD ARG 12 -5.045 10.672 -4.704 74 HE ARG 12 HE ARG 12 -5.306 12.095 -7.087 75 1HH1 ARG 12 1HH2 ARG 12 -6.826 9.354 -5.631 76 2HH1 ARG 12 2HH2 ARG 12 -7.313 8.666 -7.141 77 1HH2 ARG 12 1HH1 ARG 12 -5.927 11.200 -9.052 78 2HH2 ARG 12 2HH1 ARG 12 -6.802 9.705 -9.074 79 H ARG 13 H ARG 13 -6.137 11.707 0.266 80 HA ARG 13 HA ARG 13 -6.957 14.558 0.643 81 1HB ARG 13 2HB ARG 13 -7.189 12.176 2.496 82 2HB ARG 13 1HB ARG 13 -7.359 13.836 3.062 83 1HG ARG 13 2HG ARG 13 -9.034 12.559 0.880 84 2HG ARG 13 1HG ARG 13 -9.554 12.807 2.543 85 1HD ARG 13 2HD ARG 13 -10.412 14.746 1.669 86 2HD ARG 13 1HD ARG 13 -8.771 15.327 1.948 87 HE ARG 13 HE ARG 13 -8.663 14.229 -0.594 88 1HH1 ARG 13 1HH2 ARG 13 -10.625 16.530 1.060 89 2HH1 ARG 13 2HH2 ARG 13 -10.958 17.465 -0.359 90 1HH2 ARG 13 1HH1 ARG 13 -9.086 15.436 -2.457 91 2HH2 ARG 13 2HH1 ARG 13 -10.087 16.846 -2.351 92 HA PRO 14 HA PRO 14 -2.818 15.357 1.807 93 1HB PRO 14 2HB PRO 14 -3.521 17.074 4.022 94 2HB PRO 14 1HB PRO 14 -2.937 17.523 2.418 95 1HG PRO 14 2HG PRO 14 -5.577 17.872 3.418 96 2HG PRO 14 1HG PRO 14 -4.995 18.186 1.775 97 1HD PRO 14 2HD PRO 14 -6.695 16.008 2.691 98 2HD PRO 14 1HD PRO 14 -6.216 16.412 1.031 99 H ILE 15 H ILE 15 -1.721 13.725 2.772 100 HA ILE 15 HA ILE 15 -2.694 12.401 5.160 101 HB ILE 15 HB ILE 15 0.043 12.320 3.843 102 1HG1 ILE 15 2HG1 ILE 15 -1.878 10.040 3.844 103 2HG1 ILE 15 1HG1 ILE 15 -2.263 11.407 2.802 104 1HG2 ILE 15 1HG2 ILE 15 0.016 10.057 5.196 105 2HG2 ILE 15 2HG2 ILE 15 -1.144 10.907 6.216 106 3HG2 ILE 15 3HG2 ILE 15 0.482 11.552 6.013 107 1HD1 ILE 15 1HD1 ILE 15 -0.388 11.099 1.471 108 2HD1 ILE 15 2HD1 ILE 15 -0.728 9.430 1.920 109 3HD1 ILE 15 3HD1 ILE 15 0.533 10.331 2.760 110 H GLU 16 H GLU 16 -1.520 12.423 7.289 111 HA GLU 16 HA GLU 16 0.330 14.593 7.841 112 1HB GLU 16 2HB GLU 16 -1.387 15.749 9.426 113 2HB GLU 16 1HB GLU 16 -1.456 16.111 7.702 114 1HG GLU 16 2HG GLU 16 -3.319 14.684 7.361 115 2HG GLU 16 1HG GLU 16 -3.090 13.879 8.914 116 H GLY 17 H GLY 17 1.061 12.360 8.593 117 1HA GLY 17 2HA GLY 17 1.263 12.247 11.379 118 2HA GLY 17 1HA GLY 17 -0.089 11.191 10.967 119 H ARG 18 H ARG 18 0.460 9.816 8.942 120 HA ARG 18 HA ARG 18 3.273 8.869 8.979 121 1HB ARG 18 2HB ARG 18 1.162 7.505 10.274 122 2HB ARG 18 1HB ARG 18 1.427 6.633 8.769 123 1HG ARG 18 2HG ARG 18 3.500 7.276 10.887 124 2HG ARG 18 1HG ARG 18 2.877 5.681 10.470 125 1HD ARG 18 2HD ARG 18 3.770 6.620 8.024 126 2HD ARG 18 1HD ARG 18 4.966 7.272 9.144 127 HE ARG 18 HE ARG 18 4.707 4.626 9.924 128 1HH1 ARG 18 1HH2 ARG 18 5.330 6.324 6.988 129 2HH1 ARG 18 2HH2 ARG 18 6.312 5.066 6.314 130 1HH2 ARG 18 1HH1 ARG 18 5.986 2.975 9.060 131 2HH2 ARG 18 2HH1 ARG 18 6.683 3.171 7.487 132 H VAL 19 H VAL 19 3.945 8.312 6.902 133 HA VAL 19 HA VAL 19 1.814 8.247 4.793 134 HB VAL 19 HB VAL 19 4.583 9.460 4.537 135 1HG1 VAL 19 1HG1 VAL 19 3.121 10.448 2.476 136 2HG1 VAL 19 2HG1 VAL 19 2.356 8.870 2.643 137 3HG1 VAL 19 3HG1 VAL 19 4.091 8.979 2.339 138 1HG2 VAL 19 1HG2 VAL 19 1.998 10.987 4.430 139 2HG2 VAL 19 2HG2 VAL 19 3.619 11.583 4.781 140 3HG2 VAL 19 3HG2 VAL 19 2.742 10.647 5.990 141 H VAL 20 H VAL 20 2.237 6.930 2.986 142 HA VAL 20 HA VAL 20 4.496 4.991 3.303 143 HB VAL 20 HB VAL 20 1.605 4.521 2.583 144 1HG1 VAL 20 1HG1 VAL 20 2.527 3.361 0.793 145 2HG1 VAL 20 2HG1 VAL 20 2.602 2.120 2.043 146 3HG1 VAL 20 3HG1 VAL 20 4.045 3.055 1.640 147 1HG2 VAL 20 1HG2 VAL 20 3.570 3.088 4.392 148 2HG2 VAL 20 2HG2 VAL 20 1.860 2.691 4.207 149 3HG2 VAL 20 3HG2 VAL 20 2.337 4.231 4.916 150 H ASN 21 H ASN 21 5.878 5.369 1.637 151 HA ASN 21 HA ASN 21 4.863 6.726 -0.770 152 1HB ASN 21 2HB ASN 21 7.614 5.947 0.171 153 2HB ASN 21 1HB ASN 21 7.325 6.645 -1.419 154 1HD2 ASN 21 1HD2 ASN 21 5.042 7.838 0.794 155 2HD2 ASN 21 2HD2 ASN 21 5.807 9.305 1.170 156 H ALA 22 H ALA 22 3.820 5.360 -2.132 157 HA ALA 22 HA ALA 22 5.366 3.060 -3.198 158 1HB ALA 22 1HB ALA 22 3.754 2.296 -1.350 159 2HB ALA 22 2HB ALA 22 3.582 1.501 -2.915 160 3HB ALA 22 3HB ALA 22 2.451 2.769 -2.442 161 H MET 23 H MET 23 4.457 2.371 -5.333 162 HA MET 23 HA MET 23 3.660 2.952 -7.467 163 1HB MET 23 2HB MET 23 1.624 4.667 -6.038 164 2HB MET 23 1HB MET 23 1.443 3.813 -7.571 165 1HG MET 23 2HG MET 23 1.748 2.502 -4.851 166 2HG MET 23 1HG MET 23 0.250 2.631 -5.767 167 1HE MET 23 1HE MET 23 0.447 -0.158 -5.175 168 2HE MET 23 2HE MET 23 2.063 0.184 -4.555 169 3HE MET 23 3HE MET 23 1.833 -1.105 -5.738 170 H GLY 24 H GLY 24 5.339 4.739 -5.627 171 1HA GLY 24 2HA GLY 24 6.603 6.704 -6.012 172 2HA GLY 24 1HA GLY 24 5.771 6.862 -7.562 173 H LYS 25 H LYS 25 3.683 6.343 -4.976 174 HA LYS 25 HA LYS 25 2.953 9.249 -4.875 175 1HB LYS 25 2HB LYS 25 1.234 6.768 -4.545 176 2HB LYS 25 1HB LYS 25 0.657 8.419 -4.366 177 1HG LYS 25 2HG LYS 25 2.021 8.321 -6.858 178 2HG LYS 25 1HG LYS 25 0.996 6.888 -6.789 179 1HD LYS 25 2HD LYS 25 -0.913 8.392 -6.092 180 2HD LYS 25 1HD LYS 25 0.134 9.770 -6.436 181 1HE LYS 25 2HE LYS 25 -1.356 9.172 -8.355 182 2HE LYS 25 1HE LYS 25 0.359 9.083 -8.758 183 1HZ LYS 25 1HZ LYS 25 -0.897 6.664 -7.718 184 2HZ LYS 25 2HZ LYS 25 0.311 6.840 -8.900 185 3HZ LYS 25 3HZ LYS 25 -1.317 7.129 -9.294 186 H GLN 26 H GLN 26 1.099 8.826 -2.760 187 HA GLN 26 HA GLN 26 2.787 8.000 -0.442 188 1HB GLN 26 2HB GLN 26 1.376 10.633 -0.920 189 2HB GLN 26 1HB GLN 26 1.764 10.087 0.707 190 1HG GLN 26 2HG GLN 26 4.025 10.417 0.426 191 2HG GLN 26 1HG GLN 26 3.990 9.903 -1.257 192 1HE2 GLN 26 1HE2 GLN 26 1.558 12.196 -0.926 193 2HE2 GLN 26 2HE2 GLN 26 2.432 13.573 -1.390 194 H TRP 27 H TRP 27 1.468 6.985 1.191 195 HA TRP 27 HA TRP 27 -1.483 7.071 0.732 196 1HB TRP 27 2HB TRP 27 0.092 4.513 1.096 197 2HB TRP 27 1HB TRP 27 -1.639 4.651 0.812 198 HD1 TRP 27 HD TRP 27 1.734 5.203 -0.957 199 HE1 TRP 27 1HE TRP 27 1.330 5.144 -3.506 200 HE3 TRP 27 3HE TRP 27 -3.335 4.894 -1.013 201 HZ2 TRP 27 2HZ TRP 27 -0.883 4.992 -5.324 202 HZ3 TRP 27 3HZ TRP 27 -4.579 4.793 -3.141 203 HH2 TRP 27 HH TRP 27 -3.361 4.842 -5.303 204 H HIS 28 H HIS 28 -2.681 6.979 2.657 205 HA HIS 28 HA HIS 28 -1.373 7.493 5.143 206 1HB HIS 28 2HB HIS 28 -4.102 6.365 4.475 207 2HB HIS 28 1HB HIS 28 -3.558 6.483 6.142 208 HD2 HIS 28 2HD HIS 28 -2.660 9.325 6.728 209 HE1 HIS 28 1HE HIS 28 -5.578 10.850 4.085 210 HE2 HIS 28 2HE HIS 28 -3.981 11.445 5.968 211 H VAL 29 H VAL 29 -0.561 6.012 6.701 212 HA VAL 29 HA VAL 29 0.319 3.471 5.796 213 HB VAL 29 HB VAL 29 0.078 4.747 8.513 214 1HG1 VAL 29 1HG1 VAL 29 0.791 1.883 7.862 215 2HG1 VAL 29 2HG1 VAL 29 -0.350 2.475 9.070 216 3HG1 VAL 29 3HG1 VAL 29 1.384 2.683 9.318 217 1HG2 VAL 29 1HG2 VAL 29 1.893 5.325 6.844 218 2HG2 VAL 29 2HG2 VAL 29 2.452 3.655 6.981 219 3HG2 VAL 29 3HG2 VAL 29 2.490 4.710 8.388 220 H GLU 30 H GLU 30 -2.736 4.499 6.979 221 HA GLU 30 HA GLU 30 -3.544 1.739 7.660 222 1HB GLU 30 2HB GLU 30 -5.748 2.886 8.240 223 2HB GLU 30 1HB GLU 30 -4.356 3.341 9.224 224 1HG GLU 30 2HG GLU 30 -4.091 5.407 8.095 225 2HG GLU 30 1HG GLU 30 -5.125 4.902 6.757 226 H HIS 31 H HIS 31 -3.893 4.074 5.069 227 HA HIS 31 HA HIS 31 -6.072 2.468 3.843 228 1HB HIS 31 2HB HIS 31 -4.756 5.048 2.932 229 2HB HIS 31 1HB HIS 31 -6.089 4.252 2.104 230 HD2 HIS 31 2HD HIS 31 -7.609 3.530 5.135 231 HE1 HIS 31 1HE HIS 31 -8.086 7.720 5.187 232 HE2 HIS 31 2HE HIS 31 -8.885 5.537 6.199 233 H PHE 32 H PHE 32 -2.689 2.507 3.813 234 HA PHE 32 HA PHE 32 -2.450 1.689 1.009 235 1HB PHE 32 2HB PHE 32 -0.565 2.790 2.402 236 2HB PHE 32 1HB PHE 32 -0.357 1.197 3.136 237 HD1 PHE 32 1HD PHE 32 1.238 -0.187 2.135 238 HD2 PHE 32 2HD PHE 32 -0.920 2.619 -0.297 239 HE1 PHE 32 1HE PHE 32 2.470 -0.962 0.129 240 HE2 PHE 32 2HE PHE 32 0.310 1.840 -2.293 241 HZ PHE 32 HZ PHE 32 2.009 0.048 -2.083 242 H VAL 33 H VAL 33 -3.469 -0.171 0.555 243 HA VAL 33 HA VAL 33 -2.924 -2.530 2.304 244 HB VAL 33 HB VAL 33 -5.250 -3.224 2.003 245 1HG1 VAL 33 1HG1 VAL 33 -5.544 -2.069 3.917 246 2HG1 VAL 33 2HG1 VAL 33 -6.155 -0.740 2.935 247 3HG1 VAL 33 3HG1 VAL 33 -4.457 -0.783 3.396 248 1HG2 VAL 33 1HG2 VAL 33 -5.432 -0.655 0.408 249 2HG2 VAL 33 2HG2 VAL 33 -6.842 -1.564 0.951 250 3HG2 VAL 33 3HG2 VAL 33 -5.704 -2.296 -0.182 251 H CYS 34 H CYS 34 -3.772 -4.539 1.161 252 HA CYS 34 HA CYS 34 -2.335 -4.939 -1.280 253 1HB CYS 34 2HB CYS 34 -2.685 -6.849 0.022 254 2HB CYS 34 1HB CYS 34 -4.381 -6.490 0.287 255 H ALA 35 H ALA 35 -3.143 -5.154 -3.420 256 HA ALA 35 HA ALA 35 -5.633 -3.634 -3.919 257 1HB ALA 35 1HB ALA 35 -3.717 -4.762 -5.961 258 2HB ALA 35 2HB ALA 35 -3.413 -3.237 -5.129 259 3HB ALA 35 3HB ALA 35 -4.839 -3.416 -6.157 260 H LYS 36 H LYS 36 -5.644 -6.415 -2.838 261 HA LYS 36 HA LYS 36 -7.398 -7.627 -4.931 262 1HB LYS 36 2HB LYS 36 -5.125 -8.726 -4.927 263 2HB LYS 36 1HB LYS 36 -5.422 -9.211 -3.267 264 1HG LYS 36 2HG LYS 36 -6.054 -11.075 -4.600 265 2HG LYS 36 1HG LYS 36 -7.558 -10.309 -4.107 266 1HD LYS 36 2HD LYS 36 -6.618 -9.109 -6.576 267 2HD LYS 36 1HD LYS 36 -6.699 -10.860 -6.757 268 1HE LYS 36 2HE LYS 36 -8.931 -9.001 -5.916 269 2HE LYS 36 1HE LYS 36 -8.849 -9.985 -7.374 270 1HZ LYS 36 1HZ LYS 36 -8.550 -11.867 -5.556 271 2HZ LYS 36 2HZ LYS 36 -10.078 -11.365 -6.102 272 3HZ LYS 36 3HZ LYS 36 -9.459 -10.771 -4.635 273 H CYS 37 H CYS 37 -6.501 -7.310 -1.539 274 HA CYS 37 HA CYS 37 -9.212 -8.362 -0.806 275 1HB CYS 37 2HB CYS 37 -8.243 -9.503 1.096 276 2HB CYS 37 1HB CYS 37 -7.344 -9.979 -0.342 277 H GLU 38 H GLU 38 -6.850 -5.888 -0.480 278 HA GLU 38 HA GLU 38 -6.984 -3.843 0.596 279 1HB GLU 38 2HB GLU 38 -9.637 -4.634 1.784 280 2HB GLU 38 1HB GLU 38 -9.052 -3.025 1.375 281 1HG GLU 38 2HG GLU 38 -10.211 -3.253 -0.560 282 2HG GLU 38 1HG GLU 38 -8.928 -4.352 -1.063 283 H LYS 39 H LYS 39 -5.498 -5.777 1.802 284 HA LYS 39 HA LYS 39 -6.211 -5.629 4.693 285 1HB LYS 39 2HB LYS 39 -4.569 -7.488 3.039 286 2HB LYS 39 1HB LYS 39 -4.029 -7.200 4.692 287 1HG LYS 39 2HG LYS 39 -6.669 -7.602 5.160 288 2HG LYS 39 1HG LYS 39 -6.479 -8.586 3.712 289 1HD LYS 39 2HD LYS 39 -4.412 -9.586 4.889 290 2HD LYS 39 1HD LYS 39 -5.053 -8.843 6.355 291 1HE LYS 39 2HE LYS 39 -7.184 -10.056 6.035 292 2HE LYS 39 1HE LYS 39 -6.529 -10.814 4.584 293 1HZ LYS 39 1HZ LYS 39 -5.756 -11.221 7.396 294 2HZ LYS 39 2HZ LYS 39 -4.641 -11.538 6.153 295 3HZ LYS 39 3HZ LYS 39 -6.118 -12.376 6.209 296 HA PRO 40 HA PRO 40 -3.273 -2.232 4.426 297 1HB PRO 40 2HB PRO 40 -3.709 -1.556 7.120 298 2HB PRO 40 1HB PRO 40 -4.457 -0.795 5.734 299 1HG PRO 40 2HG PRO 40 -5.650 -2.559 7.688 300 2HG PRO 40 1HG PRO 40 -6.450 -1.697 6.379 301 1HD PRO 40 2HD PRO 40 -5.861 -4.511 6.543 302 2HD PRO 40 1HD PRO 40 -6.639 -3.654 5.202 303 H PHE 41 H PHE 41 -1.174 -2.123 4.900 304 HA PHE 41 HA PHE 41 -0.044 -4.146 6.783 305 1HB PHE 41 2HB PHE 41 1.706 -2.337 5.161 306 2HB PHE 41 1HB PHE 41 1.949 -4.021 5.611 307 HD1 PHE 41 1HD PHE 41 -0.014 -1.770 3.395 308 HD2 PHE 41 2HD PHE 41 1.240 -5.792 4.214 309 HE1 PHE 41 1HE PHE 41 -0.901 -2.496 1.193 310 HE2 PHE 41 2HE PHE 41 0.351 -6.517 2.024 311 HZ PHE 41 HZ PHE 41 -0.718 -4.877 0.509 312 H LEU 42 H LEU 42 -1.241 -2.371 8.306 313 HA LEU 42 HA LEU 42 -0.288 0.120 8.944 314 1HB LEU 42 2HB LEU 42 -1.118 -2.195 10.656 315 2HB LEU 42 1HB LEU 42 -0.435 -0.776 11.445 316 HG LEU 42 HG LEU 42 -2.120 0.655 10.341 317 1HD1 LEU 42 1HD1 LEU 42 -2.443 -0.474 8.290 318 2HD1 LEU 42 2HD1 LEU 42 -3.992 -0.566 9.135 319 3HD1 LEU 42 3HD1 LEU 42 -2.918 -1.968 9.102 320 1HD2 LEU 42 1HD2 LEU 42 -2.887 -0.114 12.452 321 2HD2 LEU 42 2HD2 LEU 42 -3.101 -1.762 11.864 322 3HD2 LEU 42 3HD2 LEU 42 -4.213 -0.493 11.352 323 H GLY 43 H GLY 43 1.206 -2.877 10.176 324 1HA GLY 43 2HA GLY 43 3.841 -1.470 10.152 325 2HA GLY 43 1HA GLY 43 3.326 -2.346 11.591 326 H HIS 44 H HIS 44 2.599 -3.436 8.338 327 HA HIS 44 HA HIS 44 4.446 -5.758 8.800 328 1HB HIS 44 2HB HIS 44 2.105 -5.915 6.930 329 2HB HIS 44 1HB HIS 44 2.884 -7.198 7.856 330 HD1 HIS 44 1HD HIS 44 2.794 -5.391 10.568 331 HD2 HIS 44 2HD HIS 44 -0.417 -6.478 8.148 332 HE1 HIS 44 1HE HIS 44 0.725 -5.252 12.023 333 H ARG 45 H ARG 45 4.313 -6.845 6.251 334 HA ARG 45 HA ARG 45 5.753 -4.771 4.639 335 1HB ARG 45 2HB ARG 45 7.260 -6.552 5.108 336 2HB ARG 45 1HB ARG 45 6.024 -7.777 4.827 337 1HG ARG 45 2HG ARG 45 6.054 -7.423 2.474 338 2HG ARG 45 1HG ARG 45 6.951 -5.914 2.635 339 1HD ARG 45 2HD ARG 45 8.859 -7.268 3.608 340 2HD ARG 45 1HD ARG 45 7.968 -8.719 3.148 341 HE ARG 45 HE ARG 45 8.073 -7.242 0.808 342 1HH1 ARG 45 1HH2 ARG 45 10.329 -8.378 3.154 343 2HH1 ARG 45 2HH2 ARG 45 11.629 -8.540 2.021 344 1HH2 ARG 45 1HH1 ARG 45 9.757 -7.448 -0.686 345 2HH2 ARG 45 2HH1 ARG 45 11.305 -8.014 -0.153 346 H HIS 46 H HIS 46 5.208 -4.560 2.418 347 HA HIS 46 HA HIS 46 2.704 -5.993 1.602 348 1HB HIS 46 2HB HIS 46 2.272 -3.998 0.137 349 2HB HIS 46 1HB HIS 46 2.184 -3.655 1.859 350 HD1 HIS 46 1HD HIS 46 4.224 -2.341 2.914 351 HD2 HIS 46 2HD HIS 46 4.371 -2.718 -1.240 352 HE1 HIS 46 1HE HIS 46 5.995 -0.720 2.110 353 H TYR 47 H TYR 47 2.464 -6.031 -0.795 354 HA TYR 47 HA TYR 47 5.072 -6.352 -2.208 355 1HB TYR 47 2HB TYR 47 2.741 -8.254 -2.482 356 2HB TYR 47 1HB TYR 47 4.396 -8.497 -3.009 357 HD1 TYR 47 1HD TYR 47 5.902 -9.633 -1.594 358 HD2 TYR 47 2HD TYR 47 2.397 -7.812 0.093 359 HE1 TYR 47 1HE TYR 47 6.480 -10.544 0.641 360 HE2 TYR 47 2HE TYR 47 2.991 -8.719 2.314 361 HH TYR 47 HH TYR 47 5.300 -9.447 3.438 362 H GLU 48 H GLU 48 4.989 -5.482 -4.303 363 HA GLU 48 HA GLU 48 2.308 -4.439 -5.136 364 1HB GLU 48 2HB GLU 48 3.835 -2.726 -6.399 365 2HB GLU 48 1HB GLU 48 3.530 -2.525 -4.677 366 1HG GLU 48 2HG GLU 48 5.946 -2.306 -5.299 367 2HG GLU 48 1HG GLU 48 5.630 -3.577 -4.116 368 H ARG 49 H ARG 49 1.812 -4.311 -7.324 369 HA ARG 49 HA ARG 49 3.521 -5.826 -9.223 370 1HB ARG 49 2HB ARG 49 2.106 -7.579 -8.537 371 2HB ARG 49 1HB ARG 49 0.721 -6.523 -8.369 372 1HG ARG 49 2HG ARG 49 0.059 -7.132 -10.439 373 2HG ARG 49 1HG ARG 49 1.471 -6.314 -11.087 374 1HD ARG 49 2HD ARG 49 1.812 -9.083 -10.006 375 2HD ARG 49 1HD ARG 49 1.061 -8.854 -11.584 376 HE ARG 49 HE ARG 49 3.311 -7.296 -11.765 377 1HH1 ARG 49 1HH2 ARG 49 2.653 -10.538 -10.808 378 2HH1 ARG 49 2HH2 ARG 49 4.176 -11.151 -11.361 379 1HH2 ARG 49 1HH1 ARG 49 5.302 -8.075 -12.493 380 2HH2 ARG 49 2HH1 ARG 49 5.675 -9.757 -12.314 381 H LYS 50 H LYS 50 3.542 -4.849 -11.172 382 HA LYS 50 HA LYS 50 3.188 -3.182 -12.753 383 1HB LYS 50 2HB LYS 50 1.052 -3.314 -13.837 384 2HB LYS 50 1HB LYS 50 1.433 -4.934 -13.263 385 1HG LYS 50 2HG LYS 50 -0.117 -4.793 -11.478 386 2HG LYS 50 1HG LYS 50 -0.231 -3.039 -11.594 387 1HD LYS 50 2HD LYS 50 -2.231 -4.067 -12.556 388 2HD LYS 50 1HD LYS 50 -1.294 -3.277 -13.824 389 1HE LYS 50 2HE LYS 50 -0.434 -5.346 -14.624 390 2HE LYS 50 1HE LYS 50 -0.949 -6.208 -13.174 391 1HZ LYS 50 1HZ LYS 50 -3.092 -4.870 -14.546 392 2HZ LYS 50 2HZ LYS 50 -3.000 -6.465 -13.971 393 3HZ LYS 50 3HZ LYS 50 -2.344 -6.066 -15.485 394 H GLY 51 H GLY 51 2.991 -2.438 -9.860 395 1HA GLY 51 2HA GLY 51 2.873 -0.204 -9.014 396 2HA GLY 51 1HA GLY 51 1.873 0.234 -10.393 397 H LEU 52 H LEU 52 1.220 -2.592 -8.477 398 HA LEU 52 HA LEU 52 -0.971 -1.175 -7.059 399 1HB LEU 52 2HB LEU 52 -1.248 -3.550 -8.882 400 2HB LEU 52 1HB LEU 52 -2.344 -3.364 -7.518 401 HG LEU 52 HG LEU 52 -1.885 -1.327 -9.717 402 1HD1 LEU 52 1HD1 LEU 52 -4.374 -1.899 -10.101 403 2HD1 LEU 52 2HD1 LEU 52 -4.066 -3.328 -9.112 404 3HD1 LEU 52 3HD1 LEU 52 -3.183 -3.093 -10.621 405 1HD2 LEU 52 1HD2 LEU 52 -2.557 0.080 -8.034 406 2HD2 LEU 52 2HD2 LEU 52 -3.223 -1.232 -7.059 407 3HD2 LEU 52 3HD2 LEU 52 -4.157 -0.566 -8.402 408 H ALA 53 H ALA 53 -1.086 -1.763 -4.977 409 HA ALA 53 HA ALA 53 0.940 -3.503 -3.918 410 1HB ALA 53 1HB ALA 53 -0.338 -3.184 -1.746 411 2HB ALA 53 2HB ALA 53 -1.491 -2.218 -2.674 412 3HB ALA 53 3HB ALA 53 0.190 -1.693 -2.535 413 H TYR 54 H TYR 54 0.713 -5.488 -2.855 414 HA TYR 54 HA TYR 54 -1.872 -6.877 -2.947 415 1HB TYR 54 2HB TYR 54 0.532 -7.710 -4.567 416 2HB TYR 54 1HB TYR 54 -0.683 -8.868 -4.050 417 HD1 TYR 54 1HD TYR 54 0.141 -6.249 -6.361 418 HD2 TYR 54 2HD TYR 54 -3.089 -8.497 -4.680 419 HE1 TYR 54 1HE TYR 54 -1.294 -5.555 -8.230 420 HE2 TYR 54 2HE TYR 54 -4.560 -7.772 -6.569 421 HH TYR 54 HH TYR 54 -4.532 -6.864 -8.666 422 H CYS 55 H CYS 55 -1.975 -8.392 -1.266 423 HA CYS 55 HA CYS 55 -0.081 -8.227 0.821 424 1HB CYS 55 2HB CYS 55 -2.011 -10.458 0.104 425 2HB CYS 55 1HB CYS 55 -1.060 -10.450 1.586 426 H GLU 56 H GLU 56 1.018 -10.491 1.566 427 HA GLU 56 HA GLU 56 3.133 -11.045 -0.312 428 1HB GLU 56 2HB GLU 56 3.265 -11.323 2.216 429 2HB GLU 56 1HB GLU 56 2.292 -12.773 2.032 430 1HG GLU 56 2HG GLU 56 4.826 -12.400 0.438 431 2HG GLU 56 1HG GLU 56 4.868 -13.050 2.077 432 H THR 57 H THR 57 0.155 -12.698 0.596 433 HA THR 57 HA THR 57 0.713 -14.972 -1.168 434 HB THR 57 HB THR 57 -1.662 -14.266 0.564 435 HG1 THR 57 1HG THR 57 0.701 -15.579 0.898 436 1HG2 THR 57 1HG2 THR 57 -2.560 -15.577 -1.202 437 2HG2 THR 57 2HG2 THR 57 -2.252 -16.720 0.106 438 3HG2 THR 57 3HG2 THR 57 -1.136 -16.618 -1.256 439 H HIS 58 H HIS 58 -1.534 -12.197 -1.178 440 HA HIS 58 HA HIS 58 -2.887 -13.128 -3.532 441 1HB HIS 58 2HB HIS 58 -2.679 -10.338 -2.375 442 2HB HIS 58 1HB HIS 58 -3.773 -10.811 -3.670 443 HD2 HIS 58 2HD HIS 58 -4.779 -13.693 -2.393 444 HE1 HIS 58 1HE HIS 58 -6.066 -11.398 0.904 445 HE2 HIS 58 2HE HIS 58 -6.282 -13.637 -0.266 446 H TYR 59 H TYR 59 -0.198 -10.865 -2.987 447 HA TYR 59 HA TYR 59 0.244 -10.054 -5.628 448 1HB TYR 59 2HB TYR 59 1.623 -9.211 -3.818 449 2HB TYR 59 1HB TYR 59 2.189 -10.822 -3.429 450 HD1 TYR 59 1HD TYR 59 1.754 -9.465 -6.866 451 HD2 TYR 59 2HD TYR 59 4.535 -10.532 -3.769 452 HE1 TYR 59 1HE TYR 59 3.603 -9.217 -8.439 453 HE2 TYR 59 2HE TYR 59 6.405 -10.263 -5.367 454 HH TYR 59 HH TYR 59 6.271 -10.408 -8.383 455 H ASN 60 H ASN 60 1.573 -12.794 -3.872 456 HA ASN 60 HA ASN 60 2.722 -14.031 -6.153 457 1HB ASN 60 2HB ASN 60 1.982 -15.048 -3.414 458 2HB ASN 60 1HB ASN 60 2.653 -16.125 -4.638 459 1HD2 ASN 60 1HD2 ASN 60 3.417 -13.534 -2.406 460 2HD2 ASN 60 2HD2 ASN 60 5.082 -13.482 -2.732 461 H GLN 61 H GLN 61 -0.372 -14.584 -4.454 462 HA GLN 61 HA GLN 61 -1.299 -16.726 -6.072 463 1HB GLN 61 2HB GLN 61 -2.489 -15.572 -4.050 464 2HB GLN 61 1HB GLN 61 -3.143 -14.474 -5.266 465 1HG GLN 61 2HG GLN 61 -4.760 -16.208 -5.052 466 2HG GLN 61 1HG GLN 61 -3.884 -16.567 -6.540 467 1HE2 GLN 61 1HE2 GLN 61 -1.698 -17.205 -4.132 468 2HE2 GLN 61 2HE2 GLN 61 -2.011 -18.856 -3.890 469 H LEU 62 H LEU 62 -1.182 -13.284 -6.575 470 HA LEU 62 HA LEU 62 -2.534 -13.306 -9.145 471 1HB LEU 62 2HB LEU 62 -1.022 -11.330 -7.486 472 2HB LEU 62 1HB LEU 62 -1.141 -11.004 -9.207 473 HG LEU 62 HG LEU 62 -3.715 -11.554 -8.778 474 1HD1 LEU 62 1HD1 LEU 62 -2.721 -10.552 -6.099 475 2HD1 LEU 62 2HD1 LEU 62 -3.454 -12.128 -6.412 476 3HD1 LEU 62 3HD1 LEU 62 -4.414 -10.660 -6.576 477 1HD2 LEU 62 1HD2 LEU 62 -2.935 -9.447 -9.666 478 2HD2 LEU 62 2HD2 LEU 62 -2.294 -8.977 -8.093 479 3HD2 LEU 62 3HD2 LEU 62 -4.040 -9.107 -8.335 480 H PHE 63 H PHE 63 0.762 -13.580 -7.998 481 HA PHE 63 HA PHE 63 1.642 -14.607 -10.589 482 1HB PHE 63 2HB PHE 63 2.323 -11.848 -9.635 483 2HB PHE 63 1HB PHE 63 3.527 -12.754 -10.542 484 HD1 PHE 63 1HD PHE 63 0.469 -10.858 -10.696 485 HD2 PHE 63 2HD PHE 63 2.913 -13.657 -12.843 486 HE1 PHE 63 1HE PHE 63 -0.695 -10.256 -12.803 487 HE2 PHE 63 2HE PHE 63 1.746 -13.063 -14.951 488 HZ PHE 63 HZ PHE 63 -0.059 -11.361 -14.931 489 H GLY 64 H GLY 64 3.665 -12.833 -8.368 490 1HA GLY 64 2HA GLY 64 5.061 -13.637 -6.605 491 2HA GLY 64 1HA GLY 64 4.515 -15.279 -6.949 492 H ASP 65 H ASP 65 5.686 -13.086 -9.429 493 HA ASP 65 HA ASP 65 7.471 -13.344 -10.937 494 1HB ASP 65 2HB ASP 65 8.634 -12.710 -8.758 495 2HB ASP 65 1HB ASP 65 8.961 -14.429 -8.537 496 H VAL 66 H VAL 66 5.644 -15.536 -10.840 497 HA VAL 66 HA VAL 66 7.355 -17.614 -11.982 498 HB VAL 66 HB VAL 66 7.460 -18.151 -9.560 499 1HG1 VAL 66 1HG1 VAL 66 5.491 -18.653 -8.300 500 2HG1 VAL 66 2HG1 VAL 66 4.476 -18.618 -9.742 501 3HG1 VAL 66 3HG1 VAL 66 5.164 -17.121 -9.112 502 1HG2 VAL 66 1HG2 VAL 66 6.791 -20.482 -9.764 503 2HG2 VAL 66 2HG2 VAL 66 7.440 -19.948 -11.315 504 3HG2 VAL 66 3HG2 VAL 66 5.697 -20.089 -11.090 Start of MODEL 19 1 1H GLY 1 1HT GLY 1 7.717 28.733 -1.828 2 2H GLY 1 2HT GLY 1 9.213 29.492 -1.558 3 3H GLY 1 3HT GLY 1 8.893 27.969 -0.876 4 1HA GLY 1 2HA GLY 1 9.155 28.565 -3.774 5 2HA GLY 1 1HA GLY 1 10.344 27.725 -2.776 6 H SER 2 H SER 2 8.119 26.402 -1.233 7 HA SER 2 HA SER 2 6.495 24.839 -2.979 8 1HB SER 2 2HB SER 2 8.355 23.760 -3.916 9 2HB SER 2 1HB SER 2 9.256 23.792 -2.403 10 HG SER 2 HG SER 2 8.442 21.909 -2.002 11 H MET 3 H MET 3 4.896 24.415 -1.540 12 HA MET 3 HA MET 3 5.274 24.353 1.298 13 1HB MET 3 2HB MET 3 3.103 24.764 -0.059 14 2HB MET 3 1HB MET 3 2.970 23.007 -0.117 15 1HG MET 3 2HG MET 3 3.276 23.066 2.436 16 2HG MET 3 1HG MET 3 2.971 24.799 2.316 17 1HE MET 3 1HE MET 3 -0.539 25.267 1.256 18 2HE MET 3 2HE MET 3 1.117 25.742 0.890 19 3HE MET 3 3HE MET 3 0.558 25.738 2.561 20 H GLY 4 H GLY 4 3.412 21.734 1.089 21 1HA GLY 4 2HA GLY 4 5.165 19.575 0.458 22 2HA GLY 4 1HA GLY 4 5.318 19.932 2.179 23 H VAL 5 H VAL 5 4.051 18.601 3.362 24 HA VAL 5 HA VAL 5 2.228 17.299 4.013 25 HB VAL 5 HB VAL 5 1.049 19.641 2.609 26 1HG1 VAL 5 1HG1 VAL 5 -1.249 18.622 3.080 27 2HG1 VAL 5 2HG1 VAL 5 -0.429 17.059 3.133 28 3HG1 VAL 5 3HG1 VAL 5 -0.411 18.022 1.650 29 1HG2 VAL 5 1HG2 VAL 5 -0.257 19.678 4.771 30 2HG2 VAL 5 2HG2 VAL 5 1.495 19.780 4.985 31 3HG2 VAL 5 3HG2 VAL 5 0.654 18.254 5.277 32 HA PRO 6 HA PRO 6 2.060 14.540 0.492 33 1HB PRO 6 2HB PRO 6 1.483 12.348 2.171 34 2HB PRO 6 1HB PRO 6 3.091 12.846 1.642 35 1HG PRO 6 2HG PRO 6 1.994 13.015 4.307 36 2HG PRO 6 1HG PRO 6 3.604 13.478 3.757 37 1HD PRO 6 2HD PRO 6 1.313 15.191 4.376 38 2HD PRO 6 1HD PRO 6 2.999 15.640 4.102 39 H ILE 7 H ILE 7 0.396 13.055 -0.317 40 HA ILE 7 HA ILE 7 -2.274 13.494 0.921 41 HB ILE 7 HB ILE 7 -1.429 14.060 -1.915 42 1HG1 ILE 7 2HG1 ILE 7 -3.149 15.533 0.084 43 2HG1 ILE 7 1HG1 ILE 7 -1.427 15.811 -0.102 44 1HG2 ILE 7 1HG2 ILE 7 -3.322 12.705 -2.284 45 2HG2 ILE 7 2HG2 ILE 7 -3.997 14.333 -2.220 46 3HG2 ILE 7 3HG2 ILE 7 -4.121 13.269 -0.818 47 1HD1 ILE 7 1HD1 ILE 7 -3.040 17.384 -1.356 48 2HD1 ILE 7 2HD1 ILE 7 -3.323 16.018 -2.438 49 3HD1 ILE 7 3HD1 ILE 7 -1.702 16.695 -2.278 50 H CYS 8 H CYS 8 -3.143 11.610 1.321 51 HA CYS 8 HA CYS 8 -2.056 9.156 0.409 52 1HB CYS 8 2HB CYS 8 -3.286 9.232 2.488 53 2HB CYS 8 1HB CYS 8 -4.739 9.762 1.655 54 H GLY 9 H GLY 9 -2.237 8.232 -1.495 55 1HA GLY 9 2HA GLY 9 -3.930 9.232 -3.567 56 2HA GLY 9 1HA GLY 9 -3.038 7.715 -3.639 57 H ALA 10 H ALA 10 -4.699 7.480 -0.863 58 HA ALA 10 HA ALA 10 -6.735 5.757 -2.090 59 1HB ALA 10 1HB ALA 10 -7.007 4.823 0.027 60 2HB ALA 10 2HB ALA 10 -6.609 6.328 0.856 61 3HB ALA 10 3HB ALA 10 -5.335 5.366 0.111 62 H CYS 11 H CYS 11 -6.543 8.840 -0.424 63 HA CYS 11 HA CYS 11 -9.451 9.262 -1.004 64 1HB CYS 11 2HB CYS 11 -8.709 10.938 1.166 65 2HB CYS 11 1HB CYS 11 -9.806 9.568 1.219 66 H ARG 12 H ARG 12 -6.368 10.147 -1.784 67 HA ARG 12 HA ARG 12 -5.421 12.106 -2.667 68 1HB ARG 12 2HB ARG 12 -8.345 12.332 -3.422 69 2HB ARG 12 1HB ARG 12 -7.193 13.591 -3.863 70 1HG ARG 12 2HG ARG 12 -7.151 12.193 -5.742 71 2HG ARG 12 1HG ARG 12 -5.764 11.624 -4.818 72 1HD ARG 12 2HD ARG 12 -7.817 10.105 -3.769 73 2HD ARG 12 1HD ARG 12 -8.290 10.239 -5.459 74 HE ARG 12 HE ARG 12 -6.338 8.471 -4.541 75 1HH1 ARG 12 1HH2 ARG 12 -6.471 11.130 -6.744 76 2HH1 ARG 12 2HH2 ARG 12 -5.119 10.587 -7.676 77 1HH2 ARG 12 1HH1 ARG 12 -4.586 7.756 -5.754 78 2HH2 ARG 12 2HH1 ARG 12 -4.056 8.680 -7.121 79 H ARG 13 H ARG 13 -6.173 11.995 0.085 80 HA ARG 13 HA ARG 13 -6.957 14.816 0.666 81 1HB ARG 13 2HB ARG 13 -8.496 13.151 1.590 82 2HB ARG 13 1HB ARG 13 -7.154 12.294 2.345 83 1HG ARG 13 2HG ARG 13 -6.673 14.437 3.622 84 2HG ARG 13 1HG ARG 13 -8.222 15.038 3.029 85 1HD ARG 13 2HD ARG 13 -8.907 12.555 3.967 86 2HD ARG 13 1HD ARG 13 -7.651 13.026 5.108 87 HE ARG 13 HE ARG 13 -10.275 13.952 5.246 88 1HH1 ARG 13 1HH2 ARG 13 -7.146 15.359 4.831 89 2HH1 ARG 13 2HH2 ARG 13 -7.616 16.898 5.467 90 1HH2 ARG 13 1HH1 ARG 13 -10.888 15.947 6.082 91 2HH2 ARG 13 2HH1 ARG 13 -9.728 17.230 6.177 92 HA PRO 14 HA PRO 14 -2.766 15.490 1.859 93 1HB PRO 14 2HB PRO 14 -3.585 17.201 4.065 94 2HB PRO 14 1HB PRO 14 -2.796 17.635 2.548 95 1HG PRO 14 2HG PRO 14 -5.497 18.138 3.234 96 2HG PRO 14 1HG PRO 14 -4.734 18.384 1.656 97 1HD PRO 14 2HD PRO 14 -6.653 16.346 2.409 98 2HD PRO 14 1HD PRO 14 -5.957 16.655 0.813 99 H ILE 15 H ILE 15 -1.730 13.853 2.849 100 HA ILE 15 HA ILE 15 -2.797 12.515 5.197 101 HB ILE 15 HB ILE 15 -0.055 12.396 3.898 102 1HG1 ILE 15 2HG1 ILE 15 -1.967 10.117 3.945 103 2HG1 ILE 15 1HG1 ILE 15 -2.382 11.471 2.897 104 1HG2 ILE 15 1HG2 ILE 15 -0.098 10.145 5.288 105 2HG2 ILE 15 2HG2 ILE 15 -1.215 11.043 6.315 106 3HG2 ILE 15 3HG2 ILE 15 0.419 11.648 6.059 107 1HD1 ILE 15 1HD1 ILE 15 -0.884 9.542 1.946 108 2HD1 ILE 15 2HD1 ILE 15 0.406 10.344 2.848 109 3HD1 ILE 15 3HD1 ILE 15 -0.458 11.216 1.588 110 H GLU 16 H GLU 16 -1.674 12.486 7.345 111 HA GLU 16 HA GLU 16 0.173 14.682 7.927 112 1HB GLU 16 2HB GLU 16 -1.530 15.624 9.674 113 2HB GLU 16 1HB GLU 16 -1.678 16.112 7.986 114 1HG GLU 16 2HG GLU 16 -3.501 14.679 7.597 115 2HG GLU 16 1HG GLU 16 -3.152 13.696 9.020 116 H GLY 17 H GLY 17 0.941 12.328 8.435 117 1HA GLY 17 2HA GLY 17 1.263 12.091 11.257 118 2HA GLY 17 1HA GLY 17 0.064 10.911 10.726 119 H ARG 18 H ARG 18 0.723 9.158 9.569 120 HA ARG 18 HA ARG 18 3.654 8.932 9.002 121 1HB ARG 18 2HB ARG 18 1.675 6.744 9.705 122 2HB ARG 18 1HB ARG 18 3.383 6.506 9.329 123 1HG ARG 18 2HG ARG 18 3.937 8.058 11.228 124 2HG ARG 18 1HG ARG 18 2.229 8.034 11.663 125 1HD ARG 18 2HD ARG 18 2.794 5.349 11.395 126 2HD ARG 18 1HD ARG 18 4.298 5.972 12.068 127 HE ARG 18 HE ARG 18 2.022 5.469 13.599 128 1HH1 ARG 18 1HH2 ARG 18 3.966 8.224 12.838 129 2HH1 ARG 18 2HH2 ARG 18 3.540 9.078 14.280 130 1HH2 ARG 18 1HH1 ARG 18 1.472 6.571 15.479 131 2HH2 ARG 18 2HH1 ARG 18 2.135 8.144 15.775 132 H VAL 19 H VAL 19 4.129 8.601 6.886 133 HA VAL 19 HA VAL 19 1.821 8.147 5.036 134 HB VAL 19 HB VAL 19 4.516 9.405 4.456 135 1HG1 VAL 19 1HG1 VAL 19 2.865 10.311 2.533 136 2HG1 VAL 19 2HG1 VAL 19 2.097 8.753 2.830 137 3HG1 VAL 19 3HG1 VAL 19 3.793 8.821 2.344 138 1HG2 VAL 19 1HG2 VAL 19 3.579 11.496 4.823 139 2HG2 VAL 19 2HG2 VAL 19 2.733 10.566 6.057 140 3HG2 VAL 19 3HG2 VAL 19 1.939 10.925 4.525 141 H VAL 20 H VAL 20 2.245 6.952 3.070 142 HA VAL 20 HA VAL 20 4.467 4.967 3.290 143 HB VAL 20 HB VAL 20 1.541 4.515 2.731 144 1HG1 VAL 20 1HG1 VAL 20 2.366 3.445 0.825 145 2HG1 VAL 20 2HG1 VAL 20 2.465 2.144 2.012 146 3HG1 VAL 20 3HG1 VAL 20 3.911 3.061 1.585 147 1HG2 VAL 20 1HG2 VAL 20 3.535 2.806 4.231 148 2HG2 VAL 20 2HG2 VAL 20 1.776 2.784 4.354 149 3HG2 VAL 20 3HG2 VAL 20 2.688 4.150 4.994 150 H ASN 21 H ASN 21 5.776 5.342 1.566 151 HA ASN 21 HA ASN 21 4.669 6.741 -0.779 152 1HB ASN 21 2HB ASN 21 7.479 5.858 -0.114 153 2HB ASN 21 1HB ASN 21 7.036 6.805 -1.531 154 1HD2 ASN 21 1HD2 ASN 21 4.952 7.744 0.905 155 2HD2 ASN 21 2HD2 ASN 21 5.813 9.080 1.500 156 H ALA 22 H ALA 22 3.571 5.404 -2.126 157 HA ALA 22 HA ALA 22 5.040 3.070 -3.238 158 1HB ALA 22 1HB ALA 22 2.247 3.003 -2.063 159 2HB ALA 22 2HB ALA 22 3.642 2.058 -1.537 160 3HB ALA 22 3HB ALA 22 2.897 1.737 -3.104 161 H MET 23 H MET 23 4.130 2.433 -5.359 162 HA MET 23 HA MET 23 3.299 3.004 -7.478 163 1HB MET 23 2HB MET 23 1.283 4.718 -6.023 164 2HB MET 23 1HB MET 23 1.086 3.887 -7.564 165 1HG MET 23 2HG MET 23 1.555 2.387 -4.979 166 2HG MET 23 1HG MET 23 -0.058 2.804 -5.548 167 1HE MET 23 1HE MET 23 1.586 -1.023 -6.245 168 2HE MET 23 2HE MET 23 0.482 -0.245 -5.110 169 3HE MET 23 3HE MET 23 2.183 0.218 -5.132 170 H GLY 24 H GLY 24 5.071 4.785 -5.751 171 1HA GLY 24 2HA GLY 24 6.301 6.755 -6.183 172 2HA GLY 24 1HA GLY 24 5.405 6.902 -7.698 173 H LYS 25 H LYS 25 3.492 6.421 -4.944 174 HA LYS 25 HA LYS 25 2.774 9.331 -4.840 175 1HB LYS 25 2HB LYS 25 1.008 6.885 -4.500 176 2HB LYS 25 1HB LYS 25 0.474 8.548 -4.301 177 1HG LYS 25 2HG LYS 25 1.783 8.435 -6.820 178 2HG LYS 25 1HG LYS 25 0.735 7.019 -6.739 179 1HD LYS 25 2HD LYS 25 -1.135 8.549 -6.001 180 2HD LYS 25 1HD LYS 25 -0.073 9.912 -6.352 181 1HE LYS 25 2HE LYS 25 -1.597 9.362 -8.252 182 2HE LYS 25 1HE LYS 25 0.107 9.229 -8.684 183 1HZ LYS 25 1HZ LYS 25 -0.060 7.033 -8.977 184 2HZ LYS 25 2HZ LYS 25 -1.733 7.307 -9.079 185 3HZ LYS 25 3HZ LYS 25 -1.039 6.811 -7.610 186 H GLN 26 H GLN 26 0.962 8.925 -2.695 187 HA GLN 26 HA GLN 26 2.671 8.024 -0.425 188 1HB GLN 26 2HB GLN 26 1.342 10.700 -0.871 189 2HB GLN 26 1HB GLN 26 1.653 10.119 0.759 190 1HG GLN 26 2HG GLN 26 3.945 10.327 0.550 191 2HG GLN 26 1HG GLN 26 3.926 9.922 -1.162 192 1HE2 GLN 26 1HE2 GLN 26 1.573 12.267 -0.784 193 2HE2 GLN 26 2HE2 GLN 26 2.505 13.641 -1.124 194 H TRP 27 H TRP 27 1.341 7.090 1.270 195 HA TRP 27 HA TRP 27 -1.609 7.185 0.807 196 1HB TRP 27 2HB TRP 27 -0.028 4.628 1.171 197 2HB TRP 27 1HB TRP 27 -1.768 4.758 0.927 198 HD1 TRP 27 HD TRP 27 1.563 5.302 -0.910 199 HE1 TRP 27 1HE TRP 27 1.108 5.268 -3.450 200 HE3 TRP 27 3HE TRP 27 -3.512 5.028 -0.870 201 HZ2 TRP 27 2HZ TRP 27 -1.140 5.141 -5.227 202 HZ3 TRP 27 3HZ TRP 27 -4.799 4.949 -2.977 203 HH2 TRP 27 HH TRP 27 -3.619 5.007 -5.161 204 H HIS 28 H HIS 28 -2.813 7.078 2.736 205 HA HIS 28 HA HIS 28 -1.495 7.600 5.219 206 1HB HIS 28 2HB HIS 28 -4.229 6.443 4.595 207 2HB HIS 28 1HB HIS 28 -3.670 6.662 6.248 208 HD2 HIS 28 2HD HIS 28 -2.865 9.538 6.715 209 HE1 HIS 28 1HE HIS 28 -5.714 10.882 3.903 210 HE2 HIS 28 2HE HIS 28 -4.191 11.598 5.806 211 H VAL 29 H VAL 29 -0.636 6.119 6.729 212 HA VAL 29 HA VAL 29 0.195 3.570 5.833 213 HB VAL 29 HB VAL 29 -0.018 4.854 8.549 214 1HG1 VAL 29 1HG1 VAL 29 -0.432 2.580 9.112 215 2HG1 VAL 29 2HG1 VAL 29 1.303 2.796 9.341 216 3HG1 VAL 29 3HG1 VAL 29 0.699 1.992 7.892 217 1HG2 VAL 29 1HG2 VAL 29 2.337 4.967 8.373 218 2HG2 VAL 29 2HG2 VAL 29 1.773 5.344 6.745 219 3HG2 VAL 29 3HG2 VAL 29 2.392 3.734 7.121 220 H GLU 30 H GLU 30 -2.826 4.634 7.084 221 HA GLU 30 HA GLU 30 -3.664 1.878 7.746 222 1HB GLU 30 2HB GLU 30 -5.824 3.063 8.416 223 2HB GLU 30 1HB GLU 30 -4.392 3.465 9.365 224 1HG GLU 30 2HG GLU 30 -4.098 5.539 8.235 225 2HG GLU 30 1HG GLU 30 -5.229 5.089 6.958 226 H HIS 31 H HIS 31 -3.545 3.774 4.994 227 HA HIS 31 HA HIS 31 -5.987 2.441 3.867 228 1HB HIS 31 2HB HIS 31 -4.639 5.022 3.008 229 2HB HIS 31 1HB HIS 31 -5.991 4.267 2.169 230 HD2 HIS 31 2HD HIS 31 -7.353 3.494 5.323 231 HE1 HIS 31 1HE HIS 31 -8.008 7.659 5.281 232 HE2 HIS 31 2HE HIS 31 -8.659 5.477 6.395 233 H PHE 32 H PHE 32 -2.597 2.464 3.777 234 HA PHE 32 HA PHE 32 -2.414 1.672 0.961 235 1HB PHE 32 2HB PHE 32 -0.489 2.737 2.296 236 2HB PHE 32 1HB PHE 32 -0.303 1.163 3.071 237 HD1 PHE 32 1HD PHE 32 1.281 -0.254 2.105 238 HD2 PHE 32 2HD PHE 32 -0.881 2.481 -0.408 239 HE1 PHE 32 1HE PHE 32 2.496 -1.101 0.119 240 HE2 PHE 32 2HE PHE 32 0.333 1.627 -2.383 241 HZ PHE 32 HZ PHE 32 2.025 -0.166 -2.123 242 H VAL 33 H VAL 33 -3.471 -0.174 0.510 243 HA VAL 33 HA VAL 33 -2.931 -2.550 2.237 244 HB VAL 33 HB VAL 33 -5.262 -3.222 1.926 245 1HG1 VAL 33 1HG1 VAL 33 -4.448 -0.792 3.334 246 2HG1 VAL 33 2HG1 VAL 33 -5.534 -2.080 3.853 247 3HG1 VAL 33 3HG1 VAL 33 -6.151 -0.748 2.883 248 1HG2 VAL 33 1HG2 VAL 33 -5.423 -0.636 0.357 249 2HG2 VAL 33 2HG2 VAL 33 -6.839 -1.546 0.884 250 3HG2 VAL 33 3HG2 VAL 33 -5.699 -2.269 -0.253 251 H CYS 34 H CYS 34 -3.750 -4.556 1.093 252 HA CYS 34 HA CYS 34 -2.316 -4.961 -1.338 253 1HB CYS 34 2HB CYS 34 -2.711 -6.870 -0.055 254 2HB CYS 34 1HB CYS 34 -4.405 -6.489 0.190 255 H ALA 35 H ALA 35 -3.105 -5.196 -3.485 256 HA ALA 35 HA ALA 35 -5.536 -3.608 -4.040 257 1HB ALA 35 1HB ALA 35 -3.277 -3.342 -5.234 258 2HB ALA 35 2HB ALA 35 -4.710 -3.449 -6.263 259 3HB ALA 35 3HB ALA 35 -3.666 -4.855 -6.055 260 H LYS 36 H LYS 36 -5.642 -6.397 -2.921 261 HA LYS 36 HA LYS 36 -7.450 -7.533 -5.005 262 1HB LYS 36 2HB LYS 36 -5.288 -8.743 -5.141 263 2HB LYS 36 1HB LYS 36 -5.411 -9.141 -3.433 264 1HG LYS 36 2HG LYS 36 -6.176 -11.019 -4.830 265 2HG LYS 36 1HG LYS 36 -7.502 -10.373 -3.866 266 1HD LYS 36 2HD LYS 36 -8.556 -9.414 -5.707 267 2HD LYS 36 1HD LYS 36 -7.055 -9.272 -6.623 268 1HE LYS 36 2HE LYS 36 -7.042 -11.580 -7.170 269 2HE LYS 36 1HE LYS 36 -8.235 -11.964 -5.928 270 1HZ LYS 36 1HZ LYS 36 -9.907 -10.802 -7.151 271 2HZ LYS 36 2HZ LYS 36 -9.155 -11.905 -8.203 272 3HZ LYS 36 3HZ LYS 36 -8.777 -10.251 -8.290 273 H CYS 37 H CYS 37 -6.497 -7.330 -1.614 274 HA CYS 37 HA CYS 37 -9.230 -8.333 -0.877 275 1HB CYS 37 2HB CYS 37 -8.237 -9.400 1.086 276 2HB CYS 37 1HB CYS 37 -7.427 -9.972 -0.370 277 H GLU 38 H GLU 38 -6.838 -5.878 -0.544 278 HA GLU 38 HA GLU 38 -6.978 -3.816 0.503 279 1HB GLU 38 2HB GLU 38 -9.629 -4.573 1.716 280 2HB GLU 38 1HB GLU 38 -9.042 -2.979 1.252 281 1HG GLU 38 2HG GLU 38 -8.947 -4.111 -1.167 282 2HG GLU 38 1HG GLU 38 -10.191 -5.145 -0.464 283 H LYS 39 H LYS 39 -5.515 -5.778 1.712 284 HA LYS 39 HA LYS 39 -6.231 -5.632 4.598 285 1HB LYS 39 2HB LYS 39 -5.560 -7.838 3.412 286 2HB LYS 39 1HB LYS 39 -3.919 -7.195 3.455 287 1HG LYS 39 2HG LYS 39 -5.471 -7.071 6.003 288 2HG LYS 39 1HG LYS 39 -4.956 -8.661 5.469 289 1HD LYS 39 2HD LYS 39 -2.625 -7.840 5.278 290 2HD LYS 39 1HD LYS 39 -3.151 -6.261 5.864 291 1HE LYS 39 2HE LYS 39 -2.312 -7.396 7.784 292 2HE LYS 39 1HE LYS 39 -4.068 -7.497 7.913 293 1HZ LYS 39 1HZ LYS 39 -2.428 -9.601 8.073 294 2HZ LYS 39 2HZ LYS 39 -2.821 -9.638 6.421 295 3HZ LYS 39 3HZ LYS 39 -4.051 -9.700 7.591 296 HA PRO 40 HA PRO 40 -3.276 -2.233 4.378 297 1HB PRO 40 2HB PRO 40 -3.700 -1.578 7.076 298 2HB PRO 40 1HB PRO 40 -4.464 -0.811 5.702 299 1HG PRO 40 2HG PRO 40 -5.624 -2.609 7.652 300 2HG PRO 40 1HG PRO 40 -6.446 -1.719 6.376 301 1HD PRO 40 2HD PRO 40 -5.871 -4.535 6.468 302 2HD PRO 40 1HD PRO 40 -6.646 -3.644 5.149 303 H PHE 41 H PHE 41 -1.171 -2.165 4.830 304 HA PHE 41 HA PHE 41 -0.066 -4.193 6.719 305 1HB PHE 41 2HB PHE 41 1.710 -2.438 5.070 306 2HB PHE 41 1HB PHE 41 1.920 -4.123 5.536 307 HD1 PHE 41 1HD PHE 41 -0.014 -1.849 3.321 308 HD2 PHE 41 2HD PHE 41 1.175 -5.886 4.151 309 HE1 PHE 41 1HE PHE 41 -0.921 -2.568 1.125 310 HE2 PHE 41 2HE PHE 41 0.267 -6.604 1.969 311 HZ PHE 41 HZ PHE 41 -0.781 -4.953 0.450 312 H LEU 42 H LEU 42 -1.206 -2.403 8.248 313 HA LEU 42 HA LEU 42 -0.215 0.082 8.854 314 1HB LEU 42 2HB LEU 42 -1.024 -2.218 10.602 315 2HB LEU 42 1HB LEU 42 -0.331 -0.788 11.360 316 HG LEU 42 HG LEU 42 -2.037 0.628 10.275 317 1HD1 LEU 42 1HD1 LEU 42 -3.922 -0.602 9.097 318 2HD1 LEU 42 2HD1 LEU 42 -2.846 -2.002 9.055 319 3HD1 LEU 42 3HD1 LEU 42 -2.385 -0.508 8.232 320 1HD2 LEU 42 1HD2 LEU 42 -4.117 -0.525 11.312 321 2HD2 LEU 42 2HD2 LEU 42 -2.783 -0.127 12.397 322 3HD2 LEU 42 3HD2 LEU 42 -2.992 -1.783 11.825 323 H GLY 43 H GLY 43 1.269 -2.928 10.067 324 1HA GLY 43 2HA GLY 43 3.924 -1.558 9.972 325 2HA GLY 43 1HA GLY 43 3.435 -2.426 11.425 326 H HIS 44 H HIS 44 2.596 -3.510 8.199 327 HA HIS 44 HA HIS 44 4.381 -5.884 8.624 328 1HB HIS 44 2HB HIS 44 1.651 -5.575 7.405 329 2HB HIS 44 1HB HIS 44 2.690 -6.901 6.886 330 HD1 HIS 44 1HD HIS 44 1.411 -8.785 8.051 331 HD2 HIS 44 2HD HIS 44 2.536 -5.737 10.662 332 HE1 HIS 44 1HE HIS 44 0.958 -9.643 10.390 333 H ARG 45 H ARG 45 4.656 -6.996 6.286 334 HA ARG 45 HA ARG 45 5.971 -4.927 4.596 335 1HB ARG 45 2HB ARG 45 7.581 -6.550 4.937 336 2HB ARG 45 1HB ARG 45 6.392 -7.825 5.168 337 1HG ARG 45 2HG ARG 45 7.604 -8.257 3.116 338 2HG ARG 45 1HG ARG 45 5.959 -7.801 2.698 339 1HD ARG 45 2HD ARG 45 7.435 -6.604 1.226 340 2HD ARG 45 1HD ARG 45 6.795 -5.436 2.382 341 HE ARG 45 HE ARG 45 9.150 -6.296 3.557 342 1HH1 ARG 45 1HH2 ARG 45 8.200 -5.032 0.493 343 2HH1 ARG 45 2HH2 ARG 45 9.718 -4.253 0.195 344 1HH2 ARG 45 1HH1 ARG 45 11.137 -5.285 3.185 345 2HH2 ARG 45 2HH1 ARG 45 11.380 -4.396 1.719 346 H HIS 46 H HIS 46 5.086 -4.398 2.624 347 HA HIS 46 HA HIS 46 2.742 -5.999 1.704 348 1HB HIS 46 2HB HIS 46 2.483 -3.967 0.124 349 2HB HIS 46 1HB HIS 46 2.119 -3.736 1.826 350 HD1 HIS 46 1HD HIS 46 3.904 -2.435 3.269 351 HD2 HIS 46 2HD HIS 46 4.753 -2.581 -0.812 352 HE1 HIS 46 1HE HIS 46 5.735 -0.733 2.857 353 H TYR 47 H TYR 47 2.529 -5.897 -0.789 354 HA TYR 47 HA TYR 47 5.162 -6.392 -2.102 355 1HB TYR 47 2HB TYR 47 2.747 -8.164 -2.463 356 2HB TYR 47 1HB TYR 47 4.402 -8.495 -2.937 357 HD1 TYR 47 1HD TYR 47 5.876 -9.600 -1.437 358 HD2 TYR 47 2HD TYR 47 2.279 -7.795 0.065 359 HE1 TYR 47 1HE TYR 47 6.332 -10.521 0.822 360 HE2 TYR 47 2HE TYR 47 2.744 -8.720 2.306 361 HH TYR 47 HH TYR 47 5.738 -10.526 2.959 362 H GLU 48 H GLU 48 5.247 -5.551 -4.178 363 HA GLU 48 HA GLU 48 2.756 -4.219 -5.173 364 1HB GLU 48 2HB GLU 48 5.687 -3.597 -5.412 365 2HB GLU 48 1HB GLU 48 4.546 -2.949 -6.591 366 1HG GLU 48 2HG GLU 48 3.336 -1.764 -4.931 367 2HG GLU 48 1HG GLU 48 4.100 -2.660 -3.619 368 H ARG 49 H ARG 49 2.145 -4.389 -7.324 369 HA ARG 49 HA ARG 49 3.719 -6.072 -9.164 370 1HB ARG 49 2HB ARG 49 2.351 -7.706 -7.891 371 2HB ARG 49 1HB ARG 49 0.897 -6.840 -8.380 372 1HG ARG 49 2HG ARG 49 2.441 -7.319 -10.746 373 2HG ARG 49 1HG ARG 49 2.344 -8.837 -9.867 374 1HD ARG 49 2HD ARG 49 0.108 -7.133 -10.926 375 2HD ARG 49 1HD ARG 49 0.387 -8.850 -11.185 376 HE ARG 49 HE ARG 49 -1.239 -7.786 -9.152 377 1HH1 ARG 49 1HH2 ARG 49 1.410 -9.972 -9.480 378 2HH1 ARG 49 2HH2 ARG 49 1.190 -10.669 -7.912 379 1HH2 ARG 49 1HH1 ARG 49 -1.530 -8.681 -7.124 380 2HH2 ARG 49 2HH1 ARG 49 -0.488 -9.952 -6.590 381 H LYS 50 H LYS 50 3.542 -5.208 -11.156 382 HA LYS 50 HA LYS 50 2.792 -3.881 -12.916 383 1HB LYS 50 2HB LYS 50 0.175 -4.943 -11.822 384 2HB LYS 50 1HB LYS 50 0.280 -3.990 -13.299 385 1HG LYS 50 2HG LYS 50 2.120 -5.776 -13.959 386 2HG LYS 50 1HG LYS 50 1.293 -6.766 -12.757 387 1HD LYS 50 2HD LYS 50 -0.114 -5.385 -15.060 388 2HD LYS 50 1HD LYS 50 0.414 -7.066 -15.095 389 1HE LYS 50 2HE LYS 50 -1.888 -7.098 -14.433 390 2HE LYS 50 1HE LYS 50 -0.947 -7.417 -12.977 391 1HZ LYS 50 1HZ LYS 50 -2.834 -5.529 -13.170 392 2HZ LYS 50 2HZ LYS 50 -1.442 -4.621 -13.522 393 3HZ LYS 50 3HZ LYS 50 -1.551 -5.480 -12.061 394 H GLY 51 H GLY 51 3.048 -2.733 -10.140 395 1HA GLY 51 2HA GLY 51 2.895 -0.458 -9.466 396 2HA GLY 51 1HA GLY 51 1.825 -0.166 -10.834 397 H LEU 52 H LEU 52 1.344 -2.761 -8.567 398 HA LEU 52 HA LEU 52 -0.801 -1.265 -7.180 399 1HB LEU 52 2HB LEU 52 -1.176 -3.708 -8.891 400 2HB LEU 52 1HB LEU 52 -2.235 -3.432 -7.512 401 HG LEU 52 HG LEU 52 -1.760 -1.478 -9.782 402 1HD1 LEU 52 1HD1 LEU 52 -3.045 -3.248 -10.679 403 2HD1 LEU 52 2HD1 LEU 52 -4.252 -2.064 -10.173 404 3HD1 LEU 52 3HD1 LEU 52 -3.934 -3.482 -9.173 405 1HD2 LEU 52 1HD2 LEU 52 -2.465 -0.027 -8.159 406 2HD2 LEU 52 2HD2 LEU 52 -3.112 -1.315 -7.141 407 3HD2 LEU 52 3HD2 LEU 52 -4.057 -0.705 -8.501 408 H ALA 53 H ALA 53 -1.102 -1.971 -5.082 409 HA ALA 53 HA ALA 53 1.021 -3.638 -3.998 410 1HB ALA 53 1HB ALA 53 -1.404 -2.322 -2.767 411 2HB ALA 53 2HB ALA 53 0.283 -1.814 -2.628 412 3HB ALA 53 3HB ALA 53 -0.264 -3.291 -1.827 413 H TYR 54 H TYR 54 0.736 -5.599 -2.839 414 HA TYR 54 HA TYR 54 -1.853 -6.970 -2.976 415 1HB TYR 54 2HB TYR 54 0.578 -7.870 -4.518 416 2HB TYR 54 1HB TYR 54 -0.683 -8.990 -4.029 417 HD1 TYR 54 1HD TYR 54 0.249 -6.308 -6.271 418 HD2 TYR 54 2HD TYR 54 -3.022 -8.684 -4.836 419 HE1 TYR 54 1HE TYR 54 -1.091 -5.610 -8.201 420 HE2 TYR 54 2HE TYR 54 -4.387 -7.959 -6.798 421 HH TYR 54 HH TYR 54 -4.159 -7.062 -8.959 422 H CYS 55 H CYS 55 -1.996 -8.463 -1.259 423 HA CYS 55 HA CYS 55 -0.074 -8.287 0.812 424 1HB CYS 55 2HB CYS 55 -2.025 -10.532 0.197 425 2HB CYS 55 1HB CYS 55 -1.100 -10.414 1.689 426 H GLU 56 H GLU 56 1.105 -10.433 1.588 427 HA GLU 56 HA GLU 56 3.110 -11.099 -0.339 428 1HB GLU 56 2HB GLU 56 3.082 -11.347 2.295 429 2HB GLU 56 1HB GLU 56 2.457 -12.948 1.944 430 1HG GLU 56 2HG GLU 56 4.753 -12.342 0.245 431 2HG GLU 56 1HG GLU 56 5.165 -12.185 1.949 432 H THR 57 H THR 57 0.105 -12.662 0.609 433 HA THR 57 HA THR 57 0.632 -15.023 -1.046 434 HB THR 57 HB THR 57 -1.799 -14.184 0.548 435 HG1 THR 57 1HG THR 57 -0.983 -16.065 1.780 436 1HG2 THR 57 1HG2 THR 57 -1.179 -16.676 -1.048 437 2HG2 THR 57 2HG2 THR 57 -2.585 -15.620 -1.189 438 3HG2 THR 57 3HG2 THR 57 -2.393 -16.647 0.231 439 H HIS 58 H HIS 58 -1.624 -12.249 -1.173 440 HA HIS 58 HA HIS 58 -2.866 -13.186 -3.574 441 1HB HIS 58 2HB HIS 58 -2.664 -10.376 -2.473 442 2HB HIS 58 1HB HIS 58 -3.740 -10.884 -3.770 443 HD2 HIS 58 2HD HIS 58 -4.826 -13.698 -2.463 444 HE1 HIS 58 1HE HIS 58 -6.079 -11.342 0.806 445 HE2 HIS 58 2HE HIS 58 -6.344 -13.585 -0.348 446 H TYR 59 H TYR 59 -0.168 -10.984 -2.912 447 HA TYR 59 HA TYR 59 0.394 -10.156 -5.518 448 1HB TYR 59 2HB TYR 59 1.690 -9.339 -3.638 449 2HB TYR 59 1HB TYR 59 2.238 -10.956 -3.249 450 HD1 TYR 59 1HD TYR 59 1.936 -9.535 -6.664 451 HD2 TYR 59 2HD TYR 59 4.600 -10.678 -3.499 452 HE1 TYR 59 1HE TYR 59 3.838 -9.288 -8.182 453 HE2 TYR 59 2HE TYR 59 6.526 -10.407 -5.031 454 HH TYR 59 HH TYR 59 7.036 -9.128 -7.140 455 H ASN 60 H ASN 60 1.642 -12.921 -3.752 456 HA ASN 60 HA ASN 60 2.845 -14.124 -6.033 457 1HB ASN 60 2HB ASN 60 2.090 -15.146 -3.300 458 2HB ASN 60 1HB ASN 60 2.762 -16.229 -4.519 459 1HD2 ASN 60 1HD2 ASN 60 3.531 -13.674 -2.263 460 2HD2 ASN 60 2HD2 ASN 60 5.193 -13.608 -2.595 461 H GLN 61 H GLN 61 -0.277 -14.664 -4.400 462 HA GLN 61 HA GLN 61 -1.160 -16.846 -5.992 463 1HB GLN 61 2HB GLN 61 -2.401 -15.765 -4.014 464 2HB GLN 61 1HB GLN 61 -2.960 -14.557 -5.172 465 1HG GLN 61 2HG GLN 61 -4.155 -16.155 -6.441 466 2HG GLN 61 1HG GLN 61 -3.319 -17.508 -5.683 467 1HE2 GLN 61 1HE2 GLN 61 -4.533 -18.536 -4.097 468 2HE2 GLN 61 2HE2 GLN 61 -5.752 -17.803 -3.170 469 H LEU 62 H LEU 62 -1.111 -13.408 -6.563 470 HA LEU 62 HA LEU 62 -2.446 -13.527 -9.139 471 1HB LEU 62 2HB LEU 62 -1.001 -11.468 -7.523 472 2HB LEU 62 1HB LEU 62 -1.203 -11.169 -9.240 473 HG LEU 62 HG LEU 62 -3.733 -11.942 -8.573 474 1HD1 LEU 62 1HD1 LEU 62 -4.284 -10.621 -6.493 475 2HD1 LEU 62 2HD1 LEU 62 -2.554 -10.556 -6.165 476 3HD1 LEU 62 3HD1 LEU 62 -3.387 -12.114 -6.213 477 1HD2 LEU 62 1HD2 LEU 62 -3.237 -9.960 -9.866 478 2HD2 LEU 62 2HD2 LEU 62 -2.515 -9.175 -8.468 479 3HD2 LEU 62 3HD2 LEU 62 -4.248 -9.485 -8.503 480 H PHE 63 H PHE 63 0.889 -13.524 -8.009 481 HA PHE 63 HA PHE 63 1.779 -14.506 -10.640 482 1HB PHE 63 2HB PHE 63 2.394 -11.781 -9.567 483 2HB PHE 63 1HB PHE 63 3.659 -12.629 -10.450 484 HD1 PHE 63 1HD PHE 63 0.374 -11.051 -10.646 485 HD2 PHE 63 2HD PHE 63 3.357 -13.225 -12.829 486 HE1 PHE 63 1HE PHE 63 -0.737 -10.424 -12.778 487 HE2 PHE 63 2HE PHE 63 2.254 -12.603 -14.963 488 HZ PHE 63 HZ PHE 63 0.206 -11.202 -14.937 489 H GLY 64 H GLY 64 3.673 -12.853 -8.193 490 1HA GLY 64 2HA GLY 64 5.104 -13.752 -6.516 491 2HA GLY 64 1HA GLY 64 4.576 -15.373 -6.971 492 H ASP 65 H ASP 65 5.751 -13.012 -9.289 493 HA ASP 65 HA ASP 65 7.549 -13.152 -10.795 494 1HB ASP 65 2HB ASP 65 8.784 -14.089 -8.198 495 2HB ASP 65 1HB ASP 65 9.732 -13.878 -9.670 496 H VAL 66 H VAL 66 6.367 -14.882 -11.959 497 HA VAL 66 HA VAL 66 7.973 -17.370 -12.002 498 HB VAL 66 HB VAL 66 5.968 -18.800 -11.951 499 1HG1 VAL 66 1HG1 VAL 66 7.205 -18.100 -9.832 500 2HG1 VAL 66 2HG1 VAL 66 5.551 -18.666 -9.598 501 3HG1 VAL 66 3HG1 VAL 66 5.906 -16.939 -9.566 502 1HG2 VAL 66 1HG2 VAL 66 4.274 -17.356 -12.827 503 2HG2 VAL 66 2HG2 VAL 66 4.577 -16.136 -11.592 504 3HG2 VAL 66 3HG2 VAL 66 3.815 -17.664 -11.152 Start of MODEL 20 1 1H GLY 1 1HT GLY 1 11.713 21.570 -4.714 2 2H GLY 1 2HT GLY 1 13.229 21.408 -3.964 3 3H GLY 1 3HT GLY 1 12.559 22.950 -4.205 4 1HA GLY 1 2HA GLY 1 11.311 20.870 -2.499 5 2HA GLY 1 1HA GLY 1 12.390 22.121 -1.880 6 H SER 2 H SER 2 9.196 21.409 -2.300 7 HA SER 2 HA SER 2 8.375 24.135 -1.725 8 1HB SER 2 2HB SER 2 8.691 24.123 -4.248 9 2HB SER 2 1HB SER 2 7.383 22.947 -4.328 10 HG SER 2 HG SER 2 6.559 24.892 -2.767 11 H MET 3 H MET 3 7.803 20.773 -2.070 12 HA MET 3 HA MET 3 4.995 20.598 -1.776 13 1HB MET 3 2HB MET 3 7.020 18.783 -0.437 14 2HB MET 3 1HB MET 3 5.369 18.376 -0.905 15 1HG MET 3 2HG MET 3 6.022 18.878 -3.297 16 2HG MET 3 1HG MET 3 7.691 19.009 -2.744 17 1HE MET 3 1HE MET 3 8.895 16.814 -3.951 18 2HE MET 3 2HE MET 3 7.513 17.454 -4.835 19 3HE MET 3 3HE MET 3 7.693 15.713 -4.638 20 H GLY 4 H GLY 4 4.188 19.524 0.513 21 1HA GLY 4 2HA GLY 4 5.263 20.846 2.874 22 2HA GLY 4 1HA GLY 4 3.759 21.577 2.315 23 H VAL 5 H VAL 5 2.534 19.174 1.348 24 HA VAL 5 HA VAL 5 2.373 17.412 3.730 25 HB VAL 5 HB VAL 5 0.222 19.233 2.724 26 1HG1 VAL 5 1HG1 VAL 5 -0.167 16.366 3.561 27 2HG1 VAL 5 2HG1 VAL 5 -0.935 17.249 2.241 28 3HG1 VAL 5 3HG1 VAL 5 -1.394 17.574 3.915 29 1HG2 VAL 5 1HG2 VAL 5 1.029 18.089 5.411 30 2HG2 VAL 5 2HG2 VAL 5 -0.417 19.076 5.172 31 3HG2 VAL 5 3HG2 VAL 5 1.183 19.761 4.866 32 HA PRO 6 HA PRO 6 2.002 14.560 0.335 33 1HB PRO 6 2HB PRO 6 1.578 12.363 2.076 34 2HB PRO 6 1HB PRO 6 3.129 12.887 1.417 35 1HG PRO 6 2HG PRO 6 2.218 13.090 4.154 36 2HG PRO 6 1HG PRO 6 3.788 13.538 3.482 37 1HD PRO 6 2HD PRO 6 1.613 15.277 4.293 38 2HD PRO 6 1HD PRO 6 3.233 15.712 3.747 39 H ILE 7 H ILE 7 0.337 13.030 -0.404 40 HA ILE 7 HA ILE 7 -2.258 13.383 0.998 41 HB ILE 7 HB ILE 7 -1.616 14.063 -1.865 42 1HG1 ILE 7 2HG1 ILE 7 -3.261 15.386 0.293 43 2HG1 ILE 7 1HG1 ILE 7 -1.571 15.749 0.005 44 1HG2 ILE 7 1HG2 ILE 7 -4.185 14.231 -2.050 45 2HG2 ILE 7 2HG2 ILE 7 -4.229 13.176 -0.636 46 3HG2 ILE 7 3HG2 ILE 7 -3.483 12.616 -2.132 47 1HD1 ILE 7 1HD1 ILE 7 -2.026 16.760 -2.062 48 2HD1 ILE 7 2HD1 ILE 7 -3.388 17.272 -1.060 49 3HD1 ILE 7 3HD1 ILE 7 -3.588 15.953 -2.219 50 H CYS 8 H CYS 8 -3.080 11.490 1.388 51 HA CYS 8 HA CYS 8 -2.005 9.059 0.489 52 1HB CYS 8 2HB CYS 8 -3.292 9.108 2.506 53 2HB CYS 8 1HB CYS 8 -4.705 9.715 1.656 54 H GLY 9 H GLY 9 -2.028 8.269 -1.496 55 1HA GLY 9 2HA GLY 9 -3.702 9.217 -3.596 56 2HA GLY 9 1HA GLY 9 -2.737 7.744 -3.667 57 H ALA 10 H ALA 10 -4.533 7.404 -0.961 58 HA ALA 10 HA ALA 10 -6.407 5.592 -2.317 59 1HB ALA 10 1HB ALA 10 -6.552 6.106 0.625 60 2HB ALA 10 2HB ALA 10 -5.109 5.314 -0.001 61 3HB ALA 10 3HB ALA 10 -6.690 4.584 -0.255 62 H CYS 11 H CYS 11 -6.687 8.324 -0.046 63 HA CYS 11 HA CYS 11 -9.479 8.738 -1.048 64 1HB CYS 11 2HB CYS 11 -9.602 10.150 1.141 65 2HB CYS 11 1HB CYS 11 -9.642 8.392 1.275 66 H ARG 12 H ARG 12 -6.466 9.832 -1.629 67 HA ARG 12 HA ARG 12 -5.582 11.853 -2.400 68 1HB ARG 12 2HB ARG 12 -8.523 12.206 -3.053 69 2HB ARG 12 1HB ARG 12 -7.278 13.340 -3.573 70 1HG ARG 12 2HG ARG 12 -7.243 10.372 -4.191 71 2HG ARG 12 1HG ARG 12 -7.836 11.607 -5.302 72 1HD ARG 12 2HD ARG 12 -5.372 12.621 -4.602 73 2HD ARG 12 1HD ARG 12 -5.058 10.888 -4.601 74 HE ARG 12 HE ARG 12 -5.181 12.425 -6.922 75 1HH1 ARG 12 1HH2 ARG 12 -6.906 9.731 -5.615 76 2HH1 ARG 12 2HH2 ARG 12 -7.408 9.143 -7.162 77 1HH2 ARG 12 1HH1 ARG 12 -5.822 11.659 -8.935 78 2HH2 ARG 12 2HH1 ARG 12 -6.793 10.228 -9.039 79 H ARG 13 H ARG 13 -6.042 11.700 0.356 80 HA ARG 13 HA ARG 13 -6.987 14.460 1.014 81 1HB ARG 13 2HB ARG 13 -7.084 11.867 2.544 82 2HB ARG 13 1HB ARG 13 -7.133 13.408 3.398 83 1HG ARG 13 2HG ARG 13 -9.060 14.074 1.914 84 2HG ARG 13 1HG ARG 13 -9.073 12.426 1.289 85 1HD ARG 13 2HD ARG 13 -9.034 12.074 4.055 86 2HD ARG 13 1HD ARG 13 -10.110 13.451 3.824 87 HE ARG 13 HE ARG 13 -10.970 11.618 1.934 88 1HH1 ARG 13 1HH2 ARG 13 -10.366 11.623 5.328 89 2HH1 ARG 13 2HH2 ARG 13 -11.578 10.437 5.680 90 1HH2 ARG 13 1HH1 ARG 13 -12.557 10.070 2.375 91 2HH2 ARG 13 2HH1 ARG 13 -12.819 9.558 4.009 92 HA PRO 14 HA PRO 14 -2.811 15.415 2.029 93 1HB PRO 14 2HB PRO 14 -3.592 17.017 4.313 94 2HB PRO 14 1HB PRO 14 -3.023 17.561 2.732 95 1HG PRO 14 2HG PRO 14 -5.680 17.730 3.738 96 2HG PRO 14 1HG PRO 14 -5.103 18.160 2.119 97 1HD PRO 14 2HD PRO 14 -6.733 15.884 2.873 98 2HD PRO 14 1HD PRO 14 -6.188 16.360 1.250 99 H ILE 15 H ILE 15 -1.658 13.759 2.925 100 HA ILE 15 HA ILE 15 -2.570 12.357 5.295 101 HB ILE 15 HB ILE 15 0.141 12.336 3.921 102 1HG1 ILE 15 2HG1 ILE 15 -1.839 10.097 3.840 103 2HG1 ILE 15 1HG1 ILE 15 -2.144 11.506 2.829 104 1HG2 ILE 15 1HG2 ILE 15 0.588 11.474 6.062 105 2HG2 ILE 15 2HG2 ILE 15 0.162 10.021 5.150 106 3HG2 ILE 15 3HG2 ILE 15 -1.023 10.775 6.216 107 1HD1 ILE 15 1HD1 ILE 15 -0.655 9.464 1.958 108 2HD1 ILE 15 2HD1 ILE 15 0.615 10.358 2.797 109 3HD1 ILE 15 3HD1 ILE 15 -0.294 11.127 1.501 110 H GLU 16 H GLU 16 -1.393 12.329 7.398 111 HA GLU 16 HA GLU 16 0.412 14.572 7.959 112 1HB GLU 16 2HB GLU 16 -1.255 15.437 9.768 113 2HB GLU 16 1HB GLU 16 -1.500 15.924 8.090 114 1HG GLU 16 2HG GLU 16 -3.263 14.380 7.775 115 2HG GLU 16 1HG GLU 16 -2.828 13.459 9.215 116 H GLY 17 H GLY 17 1.249 12.207 8.402 117 1HA GLY 17 2HA GLY 17 1.694 11.957 11.203 118 2HA GLY 17 1HA GLY 17 0.482 10.767 10.723 119 H ARG 18 H ARG 18 1.108 9.018 9.541 120 HA ARG 18 HA ARG 18 4.019 8.813 8.872 121 1HB ARG 18 2HB ARG 18 2.008 6.723 9.728 122 2HB ARG 18 1HB ARG 18 3.538 6.308 8.951 123 1HG ARG 18 2HG ARG 18 4.731 7.606 10.730 124 2HG ARG 18 1HG ARG 18 3.183 7.819 11.548 125 1HD ARG 18 2HD ARG 18 3.016 5.569 12.112 126 2HD ARG 18 1HD ARG 18 4.036 5.051 10.768 127 HE ARG 18 HE ARG 18 5.763 6.499 12.356 128 1HH1 ARG 18 1HH2 ARG 18 3.538 3.911 12.826 129 2HH1 ARG 18 2HH2 ARG 18 4.451 3.181 14.104 130 1HH2 ARG 18 1HH1 ARG 18 6.970 5.561 14.024 131 2HH2 ARG 18 2HH1 ARG 18 6.393 4.115 14.782 132 H VAL 19 H VAL 19 4.400 8.740 6.727 133 HA VAL 19 HA VAL 19 2.074 8.288 4.917 134 HB VAL 19 HB VAL 19 4.790 9.494 4.321 135 1HG1 VAL 19 1HG1 VAL 19 3.088 10.440 2.429 136 2HG1 VAL 19 2HG1 VAL 19 2.379 8.849 2.698 137 3HG1 VAL 19 3HG1 VAL 19 4.065 8.987 2.200 138 1HG2 VAL 19 1HG2 VAL 19 3.835 11.617 4.623 139 2HG2 VAL 19 2HG2 VAL 19 3.141 10.700 5.958 140 3HG2 VAL 19 3HG2 VAL 19 2.190 10.997 4.504 141 H VAL 20 H VAL 20 2.283 6.932 3.082 142 HA VAL 20 HA VAL 20 4.511 4.937 3.256 143 HB VAL 20 HB VAL 20 1.586 4.594 2.606 144 1HG1 VAL 20 1HG1 VAL 20 2.421 3.382 0.810 145 2HG1 VAL 20 2HG1 VAL 20 2.492 2.148 2.067 146 3HG1 VAL 20 3HG1 VAL 20 3.949 3.039 1.621 147 1HG2 VAL 20 1HG2 VAL 20 3.537 3.148 4.419 148 2HG2 VAL 20 2HG2 VAL 20 1.839 2.714 4.213 149 3HG2 VAL 20 3HG2 VAL 20 2.273 4.267 4.925 150 H ASN 21 H ASN 21 5.858 5.319 1.561 151 HA ASN 21 HA ASN 21 4.810 6.715 -0.810 152 1HB ASN 21 2HB ASN 21 7.566 5.876 0.063 153 2HB ASN 21 1HB ASN 21 7.256 6.573 -1.524 154 1HD2 ASN 21 1HD2 ASN 21 5.657 7.457 1.559 155 2HD2 ASN 21 2HD2 ASN 21 6.207 9.064 1.565 156 H ALA 22 H ALA 22 3.716 5.394 -2.169 157 HA ALA 22 HA ALA 22 5.173 3.068 -3.296 158 1HB ALA 22 1HB ALA 22 3.667 2.253 -1.426 159 2HB ALA 22 2HB ALA 22 3.304 1.566 -3.009 160 3HB ALA 22 3HB ALA 22 2.298 2.860 -2.358 161 H MET 23 H MET 23 4.182 2.411 -5.397 162 HA MET 23 HA MET 23 3.309 2.999 -7.497 163 1HB MET 23 2HB MET 23 1.363 4.743 -5.979 164 2HB MET 23 1HB MET 23 1.114 3.945 -7.529 165 1HG MET 23 2HG MET 23 1.581 2.420 -4.953 166 2HG MET 23 1HG MET 23 -0.023 2.832 -5.553 167 1HE MET 23 1HE MET 23 1.524 -1.007 -6.190 168 2HE MET 23 2HE MET 23 0.392 -0.180 -5.119 169 3HE MET 23 3HE MET 23 2.111 0.213 -5.050 170 H GLY 24 H GLY 24 5.132 4.753 -5.781 171 1HA GLY 24 2HA GLY 24 6.385 6.710 -6.210 172 2HA GLY 24 1HA GLY 24 5.503 6.853 -7.734 173 H LYS 25 H LYS 25 3.658 6.416 -4.906 174 HA LYS 25 HA LYS 25 2.897 9.316 -4.866 175 1HB LYS 25 2HB LYS 25 1.159 6.858 -4.497 176 2HB LYS 25 1HB LYS 25 0.609 8.516 -4.296 177 1HG LYS 25 2HG LYS 25 1.849 8.506 -6.811 178 2HG LYS 25 1HG LYS 25 0.971 6.978 -6.748 179 1HD LYS 25 2HD LYS 25 -0.645 8.474 -7.570 180 2HD LYS 25 1HD LYS 25 -1.014 8.407 -5.852 181 1HE LYS 25 2HE LYS 25 0.227 10.473 -5.465 182 2HE LYS 25 1HE LYS 25 0.728 10.519 -7.155 183 1HZ LYS 25 1HZ LYS 25 -1.939 10.302 -7.363 184 2HZ LYS 25 2HZ LYS 25 -1.088 11.772 -7.412 185 3HZ LYS 25 3HZ LYS 25 -1.797 11.244 -5.960 186 H GLN 26 H GLN 26 1.069 8.871 -2.731 187 HA GLN 26 HA GLN 26 2.776 8.048 -0.431 188 1HB GLN 26 2HB GLN 26 1.355 10.680 -0.901 189 2HB GLN 26 1HB GLN 26 1.761 10.137 0.722 190 1HG GLN 26 2HG GLN 26 4.022 10.464 0.412 191 2HG GLN 26 1HG GLN 26 3.964 9.964 -1.272 192 1HE2 GLN 26 1HE2 GLN 26 1.532 12.252 -0.874 193 2HE2 GLN 26 2HE2 GLN 26 2.394 13.634 -1.345 194 H TRP 27 H TRP 27 1.443 7.033 1.214 195 HA TRP 27 HA TRP 27 -1.505 7.114 0.718 196 1HB TRP 27 2HB TRP 27 0.096 4.569 1.078 197 2HB TRP 27 1HB TRP 27 -1.640 4.686 0.809 198 HD1 TRP 27 HD TRP 27 1.711 5.291 -0.973 199 HE1 TRP 27 1HE TRP 27 1.296 5.266 -3.519 200 HE3 TRP 27 3HE TRP 27 -3.356 4.933 -1.015 201 HZ2 TRP 27 2HZ TRP 27 -0.918 5.119 -5.332 202 HZ3 TRP 27 3HZ TRP 27 -4.605 4.851 -3.142 203 HH2 TRP 27 HH TRP 27 -3.397 4.944 -5.305 204 H HIS 28 H HIS 28 -2.734 7.001 2.617 205 HA HIS 28 HA HIS 28 -1.467 7.501 5.132 206 1HB HIS 28 2HB HIS 28 -4.196 6.419 4.395 207 2HB HIS 28 1HB HIS 28 -3.693 6.518 6.078 208 HD2 HIS 28 2HD HIS 28 -2.729 9.356 6.669 209 HE1 HIS 28 1HE HIS 28 -5.622 10.927 4.024 210 HE2 HIS 28 2HE HIS 28 -4.017 11.497 5.908 211 H VAL 29 H VAL 29 -0.614 6.033 6.634 212 HA VAL 29 HA VAL 29 0.243 3.485 5.785 213 HB VAL 29 HB VAL 29 -0.102 4.756 8.496 214 1HG1 VAL 29 1HG1 VAL 29 1.227 2.712 9.323 215 2HG1 VAL 29 2HG1 VAL 29 0.681 1.910 7.850 216 3HG1 VAL 29 3HG1 VAL 29 -0.498 2.479 9.033 217 1HG2 VAL 29 1HG2 VAL 29 2.351 3.723 7.056 218 2HG2 VAL 29 2HG2 VAL 29 2.297 4.794 8.450 219 3HG2 VAL 29 3HG2 VAL 29 1.749 5.373 6.872 220 H GLU 30 H GLU 30 -2.828 4.533 6.932 221 HA GLU 30 HA GLU 30 -3.675 1.786 7.600 222 1HB GLU 30 2HB GLU 30 -5.777 3.832 7.593 223 2HB GLU 30 1HB GLU 30 -5.270 2.751 8.890 224 1HG GLU 30 2HG GLU 30 -3.894 5.329 8.080 225 2HG GLU 30 1HG GLU 30 -4.867 5.080 9.528 226 H HIS 31 H HIS 31 -4.021 4.143 5.019 227 HA HIS 31 HA HIS 31 -6.162 2.525 3.759 228 1HB HIS 31 2HB HIS 31 -4.859 5.091 2.793 229 2HB HIS 31 1HB HIS 31 -6.308 4.338 2.128 230 HD2 HIS 31 2HD HIS 31 -7.409 3.663 5.367 231 HE1 HIS 31 1HE HIS 31 -7.868 7.855 5.392 232 HE2 HIS 31 2HE HIS 31 -8.533 5.698 6.546 233 H PHE 32 H PHE 32 -2.792 2.514 3.763 234 HA PHE 32 HA PHE 32 -2.549 1.750 0.933 235 1HB PHE 32 2HB PHE 32 -0.655 2.844 2.293 236 2HB PHE 32 1HB PHE 32 -0.460 1.273 3.072 237 HD1 PHE 32 1HD PHE 32 1.142 -0.139 2.125 238 HD2 PHE 32 2HD PHE 32 -1.000 2.591 -0.412 239 HE1 PHE 32 1HE PHE 32 2.387 -0.979 0.151 240 HE2 PHE 32 2HE PHE 32 0.242 1.745 -2.372 241 HZ PHE 32 HZ PHE 32 1.939 -0.041 -2.094 242 H VAL 33 H VAL 33 -3.581 -0.113 0.482 243 HA VAL 33 HA VAL 33 -3.034 -2.471 2.231 244 HB VAL 33 HB VAL 33 -5.354 -3.170 1.918 245 1HG1 VAL 33 1HG1 VAL 33 -6.267 -0.675 2.823 246 2HG1 VAL 33 2HG1 VAL 33 -4.573 -0.724 3.303 247 3HG1 VAL 33 3HG1 VAL 33 -5.674 -2.001 3.818 248 1HG2 VAL 33 1HG2 VAL 33 -5.532 -0.614 0.301 249 2HG2 VAL 33 2HG2 VAL 33 -6.942 -1.523 0.841 250 3HG2 VAL 33 3HG2 VAL 33 -5.794 -2.260 -0.278 251 H CYS 34 H CYS 34 -3.853 -4.488 1.091 252 HA CYS 34 HA CYS 34 -2.393 -4.897 -1.331 253 1HB CYS 34 2HB CYS 34 -2.761 -6.802 -0.028 254 2HB CYS 34 1HB CYS 34 -4.463 -6.442 0.208 255 H ALA 35 H ALA 35 -3.184 -5.160 -3.483 256 HA ALA 35 HA ALA 35 -5.651 -3.621 -4.030 257 1HB ALA 35 1HB ALA 35 -3.395 -3.303 -5.221 258 2HB ALA 35 2HB ALA 35 -4.831 -3.424 -6.246 259 3HB ALA 35 3HB ALA 35 -3.764 -4.815 -6.055 260 H LYS 36 H LYS 36 -5.726 -6.391 -2.906 261 HA LYS 36 HA LYS 36 -7.483 -7.583 -5.004 262 1HB LYS 36 2HB LYS 36 -5.311 -8.769 -5.097 263 2HB LYS 36 1HB LYS 36 -5.432 -9.127 -3.381 264 1HG LYS 36 2HG LYS 36 -6.157 -11.058 -4.696 265 2HG LYS 36 1HG LYS 36 -7.525 -10.388 -3.812 266 1HD LYS 36 2HD LYS 36 -8.493 -9.476 -5.739 267 2HD LYS 36 1HD LYS 36 -6.963 -9.447 -6.615 268 1HE LYS 36 2HE LYS 36 -8.633 -11.252 -7.325 269 2HE LYS 36 1HE LYS 36 -7.001 -11.806 -6.956 270 1HZ LYS 36 1HZ LYS 36 -8.636 -11.728 -4.627 271 2HZ LYS 36 2HZ LYS 36 -7.752 -13.024 -5.279 272 3HZ LYS 36 3HZ LYS 36 -9.329 -12.708 -5.825 273 H CYS 37 H CYS 37 -6.592 -7.300 -1.605 274 HA CYS 37 HA CYS 37 -9.323 -8.319 -0.888 275 1HB CYS 37 2HB CYS 37 -8.322 -9.326 1.129 276 2HB CYS 37 1HB CYS 37 -7.563 -9.964 -0.328 277 H GLU 38 H GLU 38 -6.898 -5.886 -0.506 278 HA GLU 38 HA GLU 38 -7.060 -3.804 0.504 279 1HB GLU 38 2HB GLU 38 -9.724 -4.537 1.701 280 2HB GLU 38 1HB GLU 38 -9.129 -2.952 1.215 281 1HG GLU 38 2HG GLU 38 -9.017 -4.166 -1.182 282 2HG GLU 38 1HG GLU 38 -10.310 -5.125 -0.459 283 H LYS 39 H LYS 39 -5.618 -5.764 1.736 284 HA LYS 39 HA LYS 39 -6.359 -5.614 4.616 285 1HB LYS 39 2HB LYS 39 -5.562 -7.783 3.288 286 2HB LYS 39 1HB LYS 39 -3.964 -7.133 3.642 287 1HG LYS 39 2HG LYS 39 -5.478 -6.930 6.049 288 2HG LYS 39 1HG LYS 39 -5.776 -8.537 5.404 289 1HD LYS 39 2HD LYS 39 -2.992 -7.382 5.672 290 2HD LYS 39 1HD LYS 39 -3.761 -8.325 6.946 291 1HE LYS 39 2HE LYS 39 -3.570 -9.374 4.124 292 2HE LYS 39 1HE LYS 39 -2.261 -9.605 5.281 293 1HZ LYS 39 1HZ LYS 39 -4.048 -10.501 6.813 294 2HZ LYS 39 2HZ LYS 39 -3.602 -11.483 5.501 295 3HZ LYS 39 3HZ LYS 39 -5.044 -10.586 5.443 296 HA PRO 40 HA PRO 40 -3.426 -2.178 4.367 297 1HB PRO 40 2HB PRO 40 -3.875 -1.509 7.062 298 2HB PRO 40 1HB PRO 40 -4.606 -0.737 5.674 299 1HG PRO 40 2HG PRO 40 -5.818 -2.519 7.608 300 2HG PRO 40 1HG PRO 40 -6.610 -1.619 6.319 301 1HD PRO 40 2HD PRO 40 -6.092 -4.439 6.421 302 2HD PRO 40 1HD PRO 40 -6.800 -3.531 5.074 303 H PHE 41 H PHE 41 -1.326 -2.084 4.848 304 HA PHE 41 HA PHE 41 -0.226 -4.112 6.741 305 1HB PHE 41 2HB PHE 41 1.552 -2.330 5.121 306 2HB PHE 41 1HB PHE 41 1.777 -4.013 5.586 307 HD1 PHE 41 1HD PHE 41 -0.147 -1.757 3.345 308 HD2 PHE 41 2HD PHE 41 1.066 -5.785 4.193 309 HE1 PHE 41 1HE PHE 41 -1.014 -2.483 1.136 310 HE2 PHE 41 2HE PHE 41 0.196 -6.510 1.997 311 HZ PHE 41 HZ PHE 41 -0.843 -4.868 0.462 312 H LEU 42 H LEU 42 -1.402 -2.330 8.261 313 HA LEU 42 HA LEU 42 -0.428 0.153 8.893 314 1HB LEU 42 2HB LEU 42 -1.262 -2.154 10.618 315 2HB LEU 42 1HB LEU 42 -0.576 -0.730 11.394 316 HG LEU 42 HG LEU 42 -2.265 0.695 10.293 317 1HD1 LEU 42 1HD1 LEU 42 -4.136 -0.529 9.084 318 2HD1 LEU 42 2HD1 LEU 42 -3.057 -1.927 9.047 319 3HD1 LEU 42 3HD1 LEU 42 -2.589 -0.427 8.239 320 1HD2 LEU 42 1HD2 LEU 42 -3.036 -0.074 12.402 321 2HD2 LEU 42 2HD2 LEU 42 -3.247 -1.723 11.813 322 3HD2 LEU 42 3HD2 LEU 42 -4.359 -0.455 11.298 323 H GLY 43 H GLY 43 1.046 -2.858 10.109 324 1HA GLY 43 2HA GLY 43 3.698 -1.484 10.061 325 2HA GLY 43 1HA GLY 43 3.189 -2.360 11.504 326 H HIS 44 H HIS 44 2.395 -3.430 8.262 327 HA HIS 44 HA HIS 44 4.188 -5.798 8.696 328 1HB HIS 44 2HB HIS 44 1.456 -5.506 7.477 329 2HB HIS 44 1HB HIS 44 2.503 -6.822 6.950 330 HD1 HIS 44 1HD HIS 44 1.279 -8.736 8.109 331 HD2 HIS 44 2HD HIS 44 2.312 -5.663 10.729 332 HE1 HIS 44 1HE HIS 44 0.827 -9.604 10.445 333 H ARG 45 H ARG 45 4.416 -6.908 6.328 334 HA ARG 45 HA ARG 45 5.763 -4.838 4.663 335 1HB ARG 45 2HB ARG 45 7.345 -6.496 4.995 336 2HB ARG 45 1HB ARG 45 6.134 -7.758 5.184 337 1HG ARG 45 2HG ARG 45 7.325 -8.184 3.135 338 2HG ARG 45 1HG ARG 45 5.718 -7.623 2.698 339 1HD ARG 45 2HD ARG 45 7.294 -6.469 1.296 340 2HD ARG 45 1HD ARG 45 6.685 -5.302 2.470 341 HE ARG 45 HE ARG 45 8.961 -6.320 3.675 342 1HH1 ARG 45 1HH2 ARG 45 8.156 -4.911 0.633 343 2HH1 ARG 45 2HH2 ARG 45 9.718 -4.203 0.397 344 1HH2 ARG 45 1HH1 ARG 45 11.007 -5.403 3.384 345 2HH2 ARG 45 2HH1 ARG 45 11.332 -4.481 1.953 346 H HIS 46 H HIS 46 5.033 -4.396 2.586 347 HA HIS 46 HA HIS 46 2.619 -5.918 1.679 348 1HB HIS 46 2HB HIS 46 2.344 -3.870 0.143 349 2HB HIS 46 1HB HIS 46 2.017 -3.642 1.854 350 HD1 HIS 46 1HD HIS 46 3.821 -2.338 3.259 351 HD2 HIS 46 2HD HIS 46 4.619 -2.511 -0.832 352 HE1 HIS 46 1HE HIS 46 5.656 -0.649 2.814 353 H TYR 47 H TYR 47 2.421 -5.864 -0.791 354 HA TYR 47 HA TYR 47 5.072 -6.298 -2.095 355 1HB TYR 47 2HB TYR 47 2.687 -8.108 -2.464 356 2HB TYR 47 1HB TYR 47 4.347 -8.412 -2.935 357 HD1 TYR 47 1HD TYR 47 5.816 -9.529 -1.441 358 HD2 TYR 47 2HD TYR 47 2.227 -7.719 0.075 359 HE1 TYR 47 1HE TYR 47 6.281 -10.447 0.818 360 HE2 TYR 47 2HE TYR 47 2.703 -8.640 2.315 361 HH TYR 47 HH TYR 47 5.733 -10.330 2.995 362 H GLU 48 H GLU 48 5.128 -5.605 -4.260 363 HA GLU 48 HA GLU 48 2.657 -4.204 -5.212 364 1HB GLU 48 2HB GLU 48 5.597 -3.672 -5.555 365 2HB GLU 48 1HB GLU 48 4.425 -2.989 -6.684 366 1HG GLU 48 2HG GLU 48 3.349 -1.741 -4.995 367 2HG GLU 48 1HG GLU 48 4.080 -2.690 -3.701 368 H ARG 49 H ARG 49 2.060 -4.305 -7.382 369 HA ARG 49 HA ARG 49 3.492 -6.066 -9.248 370 1HB ARG 49 2HB ARG 49 2.285 -7.843 -8.330 371 2HB ARG 49 1HB ARG 49 0.912 -6.836 -7.944 372 1HG ARG 49 2HG ARG 49 0.108 -8.055 -9.769 373 2HG ARG 49 1HG ARG 49 0.666 -6.579 -10.531 374 1HD ARG 49 2HD ARG 49 2.290 -9.109 -10.269 375 2HD ARG 49 1HD ARG 49 1.437 -8.601 -11.725 376 HE ARG 49 HE ARG 49 3.045 -6.444 -11.154 377 1HH1 ARG 49 1HH2 ARG 49 3.500 -9.841 -11.499 378 2HH1 ARG 49 2HH2 ARG 49 5.115 -9.699 -12.107 379 1HH2 ARG 49 1HH1 ARG 49 5.153 -6.235 -11.946 380 2HH2 ARG 49 2HH1 ARG 49 6.052 -7.656 -12.360 381 H LYS 50 H LYS 50 3.241 -5.219 -11.261 382 HA LYS 50 HA LYS 50 2.463 -3.840 -12.975 383 1HB LYS 50 2HB LYS 50 -0.232 -4.562 -11.785 384 2HB LYS 50 1HB LYS 50 0.064 -3.997 -13.427 385 1HG LYS 50 2HG LYS 50 1.713 -6.324 -12.765 386 2HG LYS 50 1HG LYS 50 -0.006 -6.671 -12.593 387 1HD LYS 50 2HD LYS 50 -0.412 -5.817 -14.871 388 2HD LYS 50 1HD LYS 50 1.308 -5.464 -15.048 389 1HE LYS 50 2HE LYS 50 0.898 -7.597 -16.100 390 2HE LYS 50 1HE LYS 50 1.768 -7.906 -14.598 391 1HZ LYS 50 1HZ LYS 50 -0.035 -9.422 -14.714 392 2HZ LYS 50 2HZ LYS 50 -1.145 -8.189 -15.081 393 3HZ LYS 50 3HZ LYS 50 -0.437 -8.268 -13.538 394 H GLY 51 H GLY 51 2.871 -2.738 -10.186 395 1HA GLY 51 2HA GLY 51 2.812 -0.480 -9.452 396 2HA GLY 51 1HA GLY 51 1.740 -0.112 -10.801 397 H LEU 52 H LEU 52 1.183 -2.745 -8.609 398 HA LEU 52 HA LEU 52 -0.921 -1.215 -7.183 399 1HB LEU 52 2HB LEU 52 -1.316 -3.682 -8.861 400 2HB LEU 52 1HB LEU 52 -2.362 -3.380 -7.477 401 HG LEU 52 HG LEU 52 -1.908 -1.472 -9.787 402 1HD1 LEU 52 1HD1 LEU 52 -4.409 -2.048 -10.124 403 2HD1 LEU 52 2HD1 LEU 52 -4.084 -3.446 -9.096 404 3HD1 LEU 52 3HD1 LEU 52 -3.221 -3.251 -10.622 405 1HD2 LEU 52 1HD2 LEU 52 -2.568 0.015 -8.175 406 2HD2 LEU 52 2HD2 LEU 52 -3.221 -1.248 -7.130 407 3HD2 LEU 52 3HD2 LEU 52 -4.173 -0.647 -8.491 408 H ALA 53 H ALA 53 -1.191 -1.896 -5.076 409 HA ALA 53 HA ALA 53 0.937 -3.563 -4.014 410 1HB ALA 53 1HB ALA 53 -0.337 -3.214 -1.827 411 2HB ALA 53 2HB ALA 53 -1.468 -2.229 -2.763 412 3HB ALA 53 3HB ALA 53 0.226 -1.743 -2.629 413 H TYR 54 H TYR 54 0.653 -5.508 -2.810 414 HA TYR 54 HA TYR 54 -1.930 -6.886 -2.941 415 1HB TYR 54 2HB TYR 54 0.497 -7.772 -4.494 416 2HB TYR 54 1HB TYR 54 -0.743 -8.908 -3.989 417 HD1 TYR 54 1HD TYR 54 0.185 -6.349 -6.301 418 HD2 TYR 54 2HD TYR 54 -3.146 -8.506 -4.703 419 HE1 TYR 54 1HE TYR 54 -1.145 -5.692 -8.249 420 HE2 TYR 54 2HE TYR 54 -4.524 -7.803 -6.669 421 HH TYR 54 HH TYR 54 -4.532 -6.000 -8.358 422 H CYS 55 H CYS 55 -2.064 -8.395 -1.236 423 HA CYS 55 HA CYS 55 -0.156 -8.204 0.846 424 1HB CYS 55 2HB CYS 55 -2.103 -10.446 0.207 425 2HB CYS 55 1HB CYS 55 -1.166 -10.363 1.695 426 H GLU 56 H GLU 56 1.010 -10.388 1.615 427 HA GLU 56 HA GLU 56 3.042 -10.998 -0.311 428 1HB GLU 56 2HB GLU 56 3.027 -11.265 2.312 429 2HB GLU 56 1HB GLU 56 2.396 -12.864 1.962 430 1HG GLU 56 2HG GLU 56 4.685 -12.261 0.251 431 2HG GLU 56 1HG GLU 56 5.108 -12.107 1.954 432 H THR 57 H THR 57 0.061 -12.628 0.621 433 HA THR 57 HA THR 57 0.631 -14.954 -1.072 434 HB THR 57 HB THR 57 -1.791 -14.175 0.564 435 HG1 THR 57 1HG THR 57 0.254 -14.839 1.573 436 1HG2 THR 57 1HG2 THR 57 -1.211 -16.595 -1.148 437 2HG2 THR 57 2HG2 THR 57 -2.627 -15.546 -1.189 438 3HG2 THR 57 3HG2 THR 57 -2.379 -16.639 0.172 439 H HIS 58 H HIS 58 -1.597 -12.173 -1.178 440 HA HIS 58 HA HIS 58 -2.879 -13.090 -3.574 441 1HB HIS 58 2HB HIS 58 -2.646 -10.317 -2.394 442 2HB HIS 58 1HB HIS 58 -3.703 -10.751 -3.735 443 HD2 HIS 58 2HD HIS 58 -4.855 -13.606 -2.522 444 HE1 HIS 58 1HE HIS 58 -6.153 -11.296 0.764 445 HE2 HIS 58 2HE HIS 58 -6.417 -13.516 -0.438 446 H TYR 59 H TYR 59 -0.197 -10.874 -2.906 447 HA TYR 59 HA TYR 59 0.367 -10.059 -5.528 448 1HB TYR 59 2HB TYR 59 1.634 -9.168 -3.677 449 2HB TYR 59 1HB TYR 59 2.166 -10.762 -3.190 450 HD1 TYR 59 1HD TYR 59 1.986 -9.382 -6.642 451 HD2 TYR 59 2HD TYR 59 4.521 -10.633 -3.412 452 HE1 TYR 59 1HE TYR 59 3.937 -9.192 -8.100 453 HE2 TYR 59 2HE TYR 59 6.497 -10.431 -4.892 454 HH TYR 59 HH TYR 59 6.376 -8.860 -7.911 455 H ASN 60 H ASN 60 1.698 -12.744 -3.683 456 HA ASN 60 HA ASN 60 3.002 -13.955 -5.878 457 1HB ASN 60 2HB ASN 60 2.137 -14.961 -3.180 458 2HB ASN 60 1HB ASN 60 2.856 -16.060 -4.356 459 1HD2 ASN 60 1HD2 ASN 60 3.538 -13.471 -2.108 460 2HD2 ASN 60 2HD2 ASN 60 5.213 -13.409 -2.380 461 H GLN 61 H GLN 61 -0.207 -14.561 -4.438 462 HA GLN 61 HA GLN 61 -0.896 -16.757 -6.130 463 1HB GLN 61 2HB GLN 61 -2.562 -14.585 -4.862 464 2HB GLN 61 1HB GLN 61 -3.297 -15.808 -5.889 465 1HG GLN 61 2HG GLN 61 -1.498 -16.585 -3.597 466 2HG GLN 61 1HG GLN 61 -3.214 -16.273 -3.340 467 1HE2 GLN 61 1HE2 GLN 61 -4.765 -17.739 -4.375 468 2HE2 GLN 61 2HE2 GLN 61 -4.276 -19.250 -4.974 469 H LEU 62 H LEU 62 -0.928 -13.302 -6.572 470 HA LEU 62 HA LEU 62 -2.101 -13.346 -9.226 471 1HB LEU 62 2HB LEU 62 -0.807 -11.333 -7.442 472 2HB LEU 62 1HB LEU 62 -0.801 -10.983 -9.165 473 HG LEU 62 HG LEU 62 -3.353 -11.604 -9.013 474 1HD1 LEU 62 1HD1 LEU 62 -3.183 -12.365 -6.633 475 2HD1 LEU 62 2HD1 LEU 62 -4.368 -11.081 -6.873 476 3HD1 LEU 62 3HD1 LEU 62 -2.791 -10.702 -6.182 477 1HD2 LEU 62 1HD2 LEU 62 -2.103 -9.060 -7.983 478 2HD2 LEU 62 2HD2 LEU 62 -3.822 -9.213 -8.361 479 3HD2 LEU 62 3HD2 LEU 62 -2.617 -9.406 -9.634 480 H PHE 63 H PHE 63 1.146 -13.485 -7.906 481 HA PHE 63 HA PHE 63 2.188 -14.393 -10.491 482 1HB PHE 63 2HB PHE 63 2.725 -11.661 -9.389 483 2HB PHE 63 1HB PHE 63 4.031 -12.496 -10.222 484 HD1 PHE 63 1HD PHE 63 0.853 -10.780 -10.565 485 HD2 PHE 63 2HD PHE 63 3.719 -13.239 -12.602 486 HE1 PHE 63 1HE PHE 63 -0.149 -10.139 -12.741 487 HE2 PHE 63 2HE PHE 63 2.715 -12.609 -14.781 488 HZ PHE 63 HZ PHE 63 0.779 -11.059 -14.851 489 H GLY 64 H GLY 64 3.977 -12.699 -8.005 490 1HA GLY 64 2HA GLY 64 5.396 -13.516 -6.295 491 2HA GLY 64 1HA GLY 64 4.785 -15.140 -6.614 492 H ASP 65 H ASP 65 5.486 -14.275 -9.581 493 HA ASP 65 HA ASP 65 8.322 -14.131 -9.771 494 1HB ASP 65 2HB ASP 65 7.160 -16.842 -9.372 495 2HB ASP 65 1HB ASP 65 8.368 -16.698 -10.647 496 H VAL 66 H VAL 66 6.731 -16.598 -11.631 497 HA VAL 66 HA VAL 66 6.992 -14.941 -14.050 498 HB VAL 66 HB VAL 66 6.406 -16.977 -15.257 499 1HG1 VAL 66 1HG1 VAL 66 8.168 -18.509 -14.319 500 2HG1 VAL 66 2HG1 VAL 66 8.280 -17.441 -12.919 501 3HG1 VAL 66 3HG1 VAL 66 8.713 -16.844 -14.521 502 1HG2 VAL 66 1HG2 VAL 66 5.953 -19.064 -13.848 503 2HG2 VAL 66 2HG2 VAL 66 4.645 -17.883 -13.912 504 3HG2 VAL 66 3HG2 VAL 66 5.684 -17.971 -12.489
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