NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20924 | 2gqe | 7158 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 0 1H GLY 0 -13.300 7.060 1.470 2 1HA GLY 0 1HA GLY 0 -12.342 6.938 4.263 3 2HA GLY 0 2HA GLY 0 -13.171 8.345 3.618 4 H HIS 1 H HIS 1 -14.422 5.486 2.354 5 HA HIS 1 HA HIS 1 -16.371 5.124 4.493 6 1HB HIS 1 1HB HIS 1 -17.234 6.882 2.889 7 2HB HIS 1 2HB HIS 1 -17.276 5.626 1.656 8 HD1 HIS 1 HD1 HIS 1 -19.753 5.378 1.359 9 HD2 HIS 1 HD2 HIS 1 -18.597 5.158 5.343 10 HE1 HIS 1 HE1 HIS 1 -21.815 4.685 2.620 11 H MET 2 H MET 2 -16.642 3.025 4.835 12 HA MET 2 HA MET 2 -16.362 0.765 4.569 13 1HB MET 2 1HB MET 2 -17.734 -0.167 2.757 14 2HB MET 2 2HB MET 2 -18.574 1.123 3.607 15 1HG MET 2 1HG MET 2 -18.055 2.672 1.814 16 2HG MET 2 2HG MET 2 -17.150 1.417 0.972 17 1HE MET 2 1HE MET 2 -18.420 -0.865 -0.058 18 2HE MET 2 2HE MET 2 -19.616 -0.226 -1.185 19 3HE MET 2 3HE MET 2 -18.051 0.570 -1.014 20 H VAL 3 H VAL 3 -14.037 2.061 3.847 21 HA VAL 3 HA VAL 3 -13.122 0.458 1.548 22 HB VAL 3 HB VAL 3 -13.184 3.044 1.302 23 1HG1 VAL 3 1HG1 VAL 3 -10.467 3.123 2.402 24 2HG1 VAL 3 2HG1 VAL 3 -11.756 4.325 2.470 25 3HG1 VAL 3 3HG1 VAL 3 -11.745 2.977 3.608 26 1HG2 VAL 3 1HG2 VAL 3 -11.264 1.036 0.434 27 2HG2 VAL 3 2HG2 VAL 3 -12.100 2.279 -0.496 28 3HG2 VAL 3 3HG2 VAL 3 -10.619 2.675 0.374 29 H ILE 4 H ILE 4 -13.117 0.245 4.653 30 HA ILE 4 HA ILE 4 -10.560 0.383 5.674 31 HB ILE 4 HB ILE 4 -11.205 -1.174 7.345 32 1HG1 ILE 4 1HG1 ILE 4 -11.945 -3.033 6.016 33 2HG1 ILE 4 2HG1 ILE 4 -13.272 -2.578 7.079 34 1HG2 ILE 4 1HG2 ILE 4 -12.976 0.903 6.482 35 2HG2 ILE 4 2HG2 ILE 4 -13.902 -0.392 7.237 36 3HG2 ILE 4 3HG2 ILE 4 -12.586 0.381 8.121 37 1HD1 ILE 4 1HD1 ILE 4 -14.222 -1.275 5.157 38 2HD1 ILE 4 2HD1 ILE 4 -12.995 -2.033 4.141 39 3HD1 ILE 4 3HD1 ILE 4 -14.202 -3.027 4.957 40 H GLY 5 H GLY 5 -9.434 -1.841 6.422 41 1HA GLY 5 1HA GLY 5 -8.765 -4.042 5.634 42 2HA GLY 5 2HA GLY 5 -9.050 -3.476 3.995 43 H THR 6 H THR 6 -7.665 -0.925 5.434 44 HA THR 6 HA THR 6 -5.319 -0.910 4.039 45 HB THR 6 HB THR 6 -4.420 0.659 5.755 46 HG1 THR 6 1HG THR 6 -5.987 1.185 7.467 47 1HG2 THR 6 1HG2 THR 6 -5.579 2.109 4.517 48 2HG2 THR 6 2HG2 THR 6 -6.906 1.940 5.665 49 3HG2 THR 6 3HG2 THR 6 -6.850 0.923 4.225 50 H TRP 7 H TRP 7 -3.260 -1.651 4.292 51 HA TRP 7 HA TRP 7 -2.864 -3.651 6.410 52 1HB TRP 7 1HB TRP 7 -0.913 -4.348 4.866 53 2HB TRP 7 2HB TRP 7 -2.556 -4.718 4.348 54 HD1 TRP 7 1HD TRP 7 -3.621 -2.819 2.543 55 HE1 TRP 7 1HE TRP 7 -2.419 -1.683 0.571 56 HE3 TRP 7 3HE TRP 7 1.220 -3.566 4.005 57 HZ2 TRP 7 2HZ TRP 7 0.231 -1.171 -0.255 58 HZ3 TRP 7 3HZ TRP 7 3.030 -2.722 2.568 59 HH2 TRP 7 2HH TRP 7 2.544 -1.551 0.482 60 H ASP 8 H ASP 8 -1.105 -3.589 7.756 61 HA ASP 8 HA ASP 8 0.320 -1.036 7.845 62 1HB ASP 8 1HB ASP 8 0.567 -3.145 9.959 63 2HB ASP 8 2HB ASP 8 0.653 -1.393 10.118 64 H CYS 9 H CYS 9 2.479 -0.838 7.582 65 HA CYS 9 HA CYS 9 3.900 -2.867 6.225 66 1HB CYS 9 1HB CYS 9 4.235 -0.276 6.239 67 2HB CYS 9 2HB CYS 9 5.283 -0.598 7.616 68 H ASP 10 H ASP 10 6.218 -3.443 7.023 69 HA ASP 10 HA ASP 10 6.202 -4.095 9.882 70 1HB ASP 10 1HB ASP 10 6.794 -6.094 7.688 71 2HB ASP 10 2HB ASP 10 6.917 -6.395 9.420 72 H THR 11 H THR 11 7.696 -2.406 7.710 73 HA THR 11 HA THR 11 10.379 -3.046 8.737 74 HB THR 11 HB THR 11 9.522 -3.084 5.989 75 HG1 THR 11 1HG THR 11 11.811 -3.793 5.829 76 1HG2 THR 11 1HG2 THR 11 10.149 -0.731 5.933 77 2HG2 THR 11 2HG2 THR 11 11.320 -1.698 5.036 78 3HG2 THR 11 3HG3 THR 11 11.713 -1.113 6.652 79 H CYS 12 H CYS 12 8.166 -0.617 7.476 80 HA CYS 12 HA CYS 12 9.875 1.473 8.659 81 1HB CYS 12 1HB CYS 12 9.350 2.924 6.952 82 2HB CYS 12 2HB CYS 12 9.294 1.395 6.080 83 H LEU 13 H LEU 13 7.008 -0.206 8.991 84 HA LEU 13 HA LEU 13 5.191 0.028 10.337 85 1HB LEU 13 1HB LEU 13 7.144 1.932 11.527 86 2HB LEU 13 2HB LEU 13 5.474 1.979 12.089 87 HG LEU 13 HG LEU 13 5.781 -0.551 12.508 88 1HD1 LEU 13 1HD1 LEU 13 8.670 0.307 12.528 89 2HD1 LEU 13 2HD1 LEU 13 7.929 -0.691 11.278 90 3HD1 LEU 13 3HD1 LEU 13 8.027 -1.284 12.935 91 1HD2 LEU 13 1HD2 LEU 13 7.310 0.294 14.614 92 2HD2 LEU 13 2HD2 LEU 13 5.554 0.414 14.513 93 3HD2 LEU 13 3HD2 LEU 13 6.560 1.793 14.067 94 H VAL 14 H VAL 14 4.128 0.741 8.329 95 HA VAL 14 HA VAL 14 2.816 3.287 8.760 96 HB VAL 14 HB VAL 14 4.465 2.748 6.297 97 1HG1 VAL 14 1HG1 VAL 14 2.640 3.542 5.203 98 2HG1 VAL 14 2HG1 VAL 14 2.013 4.380 6.624 99 3HG1 VAL 14 3HG1 VAL 14 3.337 5.085 5.695 100 1HG2 VAL 14 1HG2 VAL 14 5.407 4.946 6.786 101 2HG2 VAL 14 2HG2 VAL 14 4.342 5.102 8.182 102 3HG2 VAL 14 3HG2 VAL 14 5.595 3.862 8.163 103 H GLN 15 H GLN 15 0.723 3.177 8.212 104 HA GLN 15 HA GLN 15 -0.276 0.719 7.069 105 1HB GLN 15 1HB GLN 15 -1.740 3.181 8.034 106 2HB GLN 15 2HB GLN 15 -2.502 1.668 7.560 107 1HG GLN 15 1HG GLN 15 -0.956 0.638 9.383 108 2HG GLN 15 2HG GLN 15 -0.883 2.295 9.982 109 1HE2 GLN 15 2HE2 GLN 15 -2.222 2.561 11.606 110 2HE2 GLN 15 1HE2 GLN 15 -3.818 1.912 11.734 111 H ASN 16 H ASN 16 -1.628 0.582 5.226 112 HA ASN 16 HA ASN 16 -1.742 2.882 3.444 113 1HB ASN 16 1HB ASN 16 -0.754 0.343 2.225 114 2HB ASN 16 2HB ASN 16 -0.493 2.008 1.713 115 1HD2 ASN 16 2HD2 ASN 16 0.190 -0.033 4.538 116 2HD2 ASN 16 1HD2 ASN 16 1.824 0.495 4.734 117 H LYS 17 H LYS 17 -3.151 2.513 1.580 118 HA LYS 17 HA LYS 17 -5.507 1.089 2.344 119 1HB LYS 17 1HB LYS 17 -6.540 2.080 0.490 120 2HB LYS 17 2HB LYS 17 -5.343 3.267 0.990 121 1HG LYS 17 1HG LYS 17 -3.882 2.661 -0.789 122 2HG LYS 17 2HG LYS 17 -4.876 1.262 -1.202 123 1HD LYS 17 1HD LYS 17 -6.675 2.689 -1.923 124 2HD LYS 17 2HD LYS 17 -5.819 4.124 -1.354 125 1HE LYS 17 1HE LYS 17 -4.549 2.327 -3.378 126 2HE LYS 17 2HE LYS 17 -5.774 3.490 -3.882 127 1HZ LYS 17 1HZ LYS 17 -3.659 4.510 -4.113 128 2HZ LYS 17 2HZ LYS 17 -3.189 4.071 -2.549 129 3HZ LYS 17 3HZ LYS 17 -4.403 5.227 -2.774 130 HA PRO 18 HA PRO 18 -4.762 -2.813 0.458 131 1HB PRO 18 1HB PRO 18 -7.317 -3.583 -0.039 132 2HB PRO 18 2HB PRO 18 -6.622 -3.554 1.587 133 1HG PRO 18 1HG PRO 18 -8.393 -1.546 0.250 134 2HG PRO 18 2HG PRO 18 -8.461 -2.168 1.909 135 1HD PRO 18 1HD PRO 18 -7.371 0.234 1.297 136 2HD PRO 18 2HD PRO 18 -6.777 -0.770 2.635 137 H GLU 19 H GLU 19 -6.144 -0.192 -1.205 138 HA GLU 19 HA GLU 19 -6.471 -1.604 -3.720 139 1HB GLU 19 1HB GLU 19 -6.555 1.380 -3.453 140 2HB GLU 19 2HB GLU 19 -7.448 0.340 -4.553 141 1HG GLU 19 1HG GLU 19 -7.923 0.702 -1.607 142 2HG GLU 19 2HG GLU 19 -8.957 1.234 -2.930 143 H ALA 20 H ALA 20 -3.924 -0.306 -2.027 144 HA ALA 20 HA ALA 20 -2.456 0.690 -4.329 145 1HB ALA 20 1HB ALA 20 -2.199 1.881 -2.244 146 2HB ALA 20 2HB ALA 20 -1.658 0.410 -1.434 147 3HB ALA 20 3HB ALA 20 -0.662 1.139 -2.694 148 H ILE 21 H ILE 21 -0.104 -0.091 -4.505 149 HA ILE 21 HA ILE 21 -0.124 -3.035 -4.461 150 HB ILE 21 HB ILE 21 0.199 -1.457 -6.641 151 1HG1 ILE 21 1HG1 ILE 21 1.218 -4.206 -5.983 152 2HG1 ILE 21 2HG1 ILE 21 -0.186 -3.748 -6.942 153 1HG2 ILE 21 1HG2 ILE 21 2.986 -2.141 -5.717 154 2HG2 ILE 21 2HG2 ILE 21 2.546 -1.427 -7.268 155 3HG2 ILE 21 3HG2 ILE 21 2.295 -0.519 -5.777 156 1HD1 ILE 21 1HD1 ILE 21 1.542 -2.754 -8.574 157 2HD1 ILE 21 2HD1 ILE 21 2.699 -3.768 -7.710 158 3HD1 ILE 21 3HD1 ILE 21 1.317 -4.503 -8.524 159 H LYS 22 H LYS 22 1.478 -0.214 -3.335 160 HA LYS 22 HA LYS 22 3.368 -1.877 -1.862 161 1HB LYS 22 1HB LYS 22 5.252 -0.363 -2.423 162 2HB LYS 22 2HB LYS 22 4.650 -1.254 -3.815 163 1HG LYS 22 1HG LYS 22 3.455 0.695 -4.594 164 2HG LYS 22 2HG LYS 22 3.935 1.596 -3.153 165 1HD LYS 22 1HD LYS 22 5.395 2.271 -4.899 166 2HD LYS 22 2HD LYS 22 6.327 1.207 -3.845 167 1HE LYS 22 1HE LYS 22 5.764 -0.669 -5.422 168 2HE LYS 22 2HE LYS 22 5.095 0.543 -6.513 169 1HZ LYS 22 1HZ LYS 22 7.294 0.163 -7.210 170 2HZ LYS 22 2HZ LYS 22 7.908 0.243 -5.636 171 3HZ LYS 22 3HZ LYS 22 7.338 1.645 -6.393 172 H CYS 23 H CYS 23 4.783 -0.183 -0.463 173 HA CYS 23 HA CYS 23 2.889 1.039 1.286 174 1HB CYS 23 1HB CYS 23 5.243 -0.035 1.779 175 2HB CYS 23 2HB CYS 23 5.824 1.598 1.473 176 H VAL 24 H VAL 24 2.921 3.281 1.968 177 HA VAL 24 HA VAL 24 3.488 5.084 -0.286 178 HB VAL 24 HB VAL 24 1.106 4.818 0.694 179 1HG1 VAL 24 1HG1 VAL 24 1.839 6.951 2.611 180 2HG1 VAL 24 2HG1 VAL 24 0.582 5.716 2.710 181 3HG1 VAL 24 3HG1 VAL 24 2.261 5.298 3.056 182 1HG2 VAL 24 1HG2 VAL 24 2.410 7.504 0.279 183 2HG2 VAL 24 2HG2 VAL 24 1.622 6.499 -0.938 184 3HG2 VAL 24 2HG3 VAL 24 0.666 7.247 0.341 185 H ALA 25 H ALA 25 5.257 4.135 2.031 186 HA ALA 25 HA ALA 25 6.214 6.818 2.745 187 1HB ALA 25 1HB ALA 25 6.874 5.456 4.983 188 2HB ALA 25 2HB ALA 25 5.419 6.439 4.815 189 3HB ALA 25 3HB ALA 25 5.336 4.693 4.578 190 H CYS 26 H CYS 26 6.936 3.349 2.608 191 HA CYS 26 HA CYS 26 9.774 4.027 2.195 192 1HB CYS 26 1HB CYS 26 10.383 1.940 3.136 193 2HB CYS 26 2HB CYS 26 9.142 2.591 4.201 194 H GLU 27 H GLU 27 6.990 2.907 0.684 195 HA GLU 27 HA GLU 27 6.576 2.140 -1.419 196 1HB GLU 27 1HB GLU 27 9.512 2.304 -2.040 197 2HB GLU 27 2HB GLU 27 8.147 2.509 -3.129 198 1HG GLU 27 1HG GLU 27 7.792 4.671 -2.508 199 2HG GLU 27 2HG GLU 27 8.442 4.430 -0.887 200 H THR 28 H THR 28 6.772 0.254 0.513 201 HA THR 28 HA THR 28 8.541 -1.868 -0.385 202 HB THR 28 HB THR 28 7.006 -1.311 2.033 203 HG1 THR 28 1HG THR 28 9.161 -3.106 1.521 204 1HG2 THR 28 1HG2 THR 28 6.611 -3.677 2.614 205 2HG2 THR 28 2HG2 THR 28 7.044 -4.137 0.968 206 3HG2 THR 28 3HG2 THR 28 5.614 -3.147 1.260 207 HA PRO 29 HA PRO 29 5.627 -3.862 -3.011 208 1HB PRO 29 1HB PRO 29 6.582 -6.400 -2.886 209 2HB PRO 29 2HB PRO 29 7.395 -5.110 -3.780 210 1HG PRO 29 1HG PRO 29 7.989 -6.190 -1.052 211 2HG PRO 29 2HG PRO 29 9.113 -5.762 -2.355 212 1HD PRO 29 1HD PRO 29 8.639 -4.132 -0.245 213 2HD PRO 29 2HD PRO 29 9.022 -3.512 -1.864 214 H LYS 30 H LYS 30 3.592 -4.057 -2.284 215 HA LYS 30 HA LYS 30 2.740 -5.053 0.151 216 1HB LYS 30 1HB LYS 30 1.231 -3.774 -1.190 217 2HB LYS 30 2HB LYS 30 1.332 -4.925 -2.515 218 1HG LYS 30 1HG LYS 30 0.376 -6.584 -0.715 219 2HG LYS 30 2HG LYS 30 -0.192 -5.089 0.031 220 1HD LYS 30 1HD LYS 30 -0.669 -5.307 -2.864 221 2HD LYS 30 2HD LYS 30 -1.552 -6.467 -1.869 222 1HE LYS 30 1HE LYS 30 -2.384 -4.592 -0.491 223 2HE LYS 30 2HE LYS 30 -1.560 -3.465 -1.567 224 1HZ LYS 30 1HZ LYS 30 -3.545 -3.451 -2.590 225 2HZ LYS 30 2HZ LYS 30 -4.015 -4.953 -1.975 226 3HZ LYS 30 3HZ LYS 30 -2.987 -4.874 -3.316 227 HA PRO 31 HA PRO 31 3.248 -9.420 -0.093 228 1HB PRO 31 1HB PRO 31 1.407 -10.167 1.757 229 2HB PRO 31 2HB PRO 31 2.955 -9.429 2.185 230 1HG PRO 31 1HG PRO 31 0.249 -8.167 1.974 231 2HG PRO 31 2HG PRO 31 1.496 -7.938 3.213 232 1HD PRO 31 1HD PRO 31 1.105 -6.174 1.197 233 2HD PRO 31 2HD PRO 31 2.705 -6.474 1.906 Start of MODEL 2 1 1H GLY 0 1H GLY 0 -17.114 7.238 2.602 2 1HA GLY 0 1HA GLY 0 -16.915 9.822 3.904 3 2HA GLY 0 2HA GLY 0 -17.076 8.455 4.996 4 H HIS 1 H HIS 1 -15.519 6.559 4.280 5 HA HIS 1 HA HIS 1 -12.876 7.755 3.761 6 1HB HIS 1 1HB HIS 1 -13.731 5.755 5.829 7 2HB HIS 1 2HB HIS 1 -12.069 5.768 5.245 8 HD1 HIS 1 HD1 HIS 1 -14.422 8.567 6.329 9 HD2 HIS 1 HD2 HIS 1 -10.598 7.116 7.054 10 HE1 HIS 1 HE1 HIS 1 -13.403 10.158 7.989 11 H MET 2 H MET 2 -11.719 6.868 2.167 12 HA MET 2 HA MET 2 -12.848 4.647 0.698 13 1HB MET 2 1HB MET 2 -10.643 6.611 0.222 14 2HB MET 2 2HB MET 2 -10.685 5.126 -0.718 15 1HG MET 2 1HG MET 2 -12.866 7.194 -0.562 16 2HG MET 2 2HG MET 2 -11.758 6.941 -1.909 17 1HE MET 2 1HE MET 2 -11.703 4.077 -2.955 18 2HE MET 2 2HE MET 2 -13.171 4.191 -3.926 19 3HE MET 2 3HE MET 2 -12.111 5.591 -3.761 20 H VAL 3 H VAL 3 -12.369 3.385 2.837 21 HA VAL 3 HA VAL 3 -9.895 1.890 2.356 22 HB VAL 3 HB VAL 3 -10.706 3.168 4.942 23 1HG1 VAL 3 1HG1 VAL 3 -9.154 0.614 4.601 24 2HG1 VAL 3 2HG1 VAL 3 -9.000 1.638 6.030 25 3HG1 VAL 3 3HG1 VAL 3 -10.557 0.915 5.627 26 1HG2 VAL 3 1HG2 VAL 3 -8.141 3.426 4.989 27 2HG2 VAL 3 2HG2 VAL 3 -8.214 2.976 3.286 28 3HG2 VAL 3 3HG2 VAL 3 -9.063 4.413 3.855 29 H ILE 4 H ILE 4 -10.130 -0.268 2.504 30 HA ILE 4 HA ILE 4 -12.622 -1.302 3.688 31 HB ILE 4 HB ILE 4 -11.277 -2.416 1.226 32 1HG1 ILE 4 1HG1 ILE 4 -12.361 -0.156 0.918 33 2HG1 ILE 4 2HG1 ILE 4 -13.025 -1.443 -0.082 34 1HG2 ILE 4 1HG2 ILE 4 -13.220 -3.465 3.041 35 2HG2 ILE 4 2HG2 ILE 4 -13.959 -3.239 1.457 36 3HG2 ILE 4 3HG2 ILE 4 -12.504 -4.222 1.619 37 1HD1 ILE 4 1HD1 ILE 4 -15.031 -0.913 0.671 38 2HD1 ILE 4 2HD1 ILE 4 -14.532 -1.433 2.280 39 3HD1 ILE 4 3HD1 ILE 4 -14.342 0.253 1.800 40 H GLY 5 H GLY 5 -9.246 -1.402 3.594 41 1HA GLY 5 1HA GLY 5 -8.965 -3.161 5.723 42 2HA GLY 5 2HA GLY 5 -8.789 -4.122 4.261 43 H THR 6 H THR 6 -7.630 -1.008 5.560 44 HA THR 6 HA THR 6 -5.292 -0.880 4.038 45 HB THR 6 HB THR 6 -4.440 0.670 5.805 46 HG1 THR 6 1HG THR 6 -5.666 -0.514 7.516 47 1HG2 THR 6 1HG2 THR 6 -6.898 1.969 5.657 48 2HG2 THR 6 2HG2 THR 6 -6.854 0.939 4.227 49 3HG2 THR 6 3HG2 THR 6 -5.562 2.105 4.514 50 H TRP 7 H TRP 7 -3.267 -1.677 4.267 51 HA TRP 7 HA TRP 7 -2.867 -3.649 6.408 52 1HB TRP 7 1HB TRP 7 -0.922 -4.360 4.853 53 2HB TRP 7 2HB TRP 7 -2.570 -4.750 4.369 54 HD1 TRP 7 1HD TRP 7 -3.674 -2.957 2.512 55 HE1 TRP 7 1HE TRP 7 -2.514 -1.821 0.516 56 HE3 TRP 7 3HE TRP 7 1.189 -3.487 3.995 57 HZ2 TRP 7 2HZ TRP 7 0.117 -1.228 -0.319 58 HZ3 TRP 7 3HZ TRP 7 2.968 -2.609 2.539 59 HH2 TRP 7 2HH TRP 7 2.441 -1.504 0.427 60 H ASP 8 H ASP 8 -1.154 -3.538 7.786 61 HA ASP 8 HA ASP 8 0.312 -1.011 7.813 62 1HB ASP 8 1HB ASP 8 0.514 -3.087 9.968 63 2HB ASP 8 2HB ASP 8 0.651 -1.335 10.095 64 H CYS 9 H CYS 9 2.444 -0.839 7.450 65 HA CYS 9 HA CYS 9 3.860 -2.857 6.134 66 1HB CYS 9 1HB CYS 9 4.260 -0.267 6.286 67 2HB CYS 9 2HB CYS 9 5.306 -0.704 7.634 68 H ASP 10 H ASP 10 6.176 -3.480 6.970 69 HA ASP 10 HA ASP 10 6.028 -4.315 9.781 70 1HB ASP 10 1HB ASP 10 5.290 -6.226 8.454 71 2HB ASP 10 2HB ASP 10 6.734 -6.111 7.452 72 H THR 11 H THR 11 7.628 -2.517 7.700 73 HA THR 11 HA THR 11 10.249 -3.125 8.901 74 HB THR 11 HB THR 11 9.579 -2.537 6.044 75 HG1 THR 11 1HG THR 11 10.314 -4.648 7.245 76 1HG2 THR 11 1HG2 THR 11 11.114 -0.862 6.106 77 2HG2 THR 11 2HG2 THR 11 12.241 -2.213 5.988 78 3HG2 THR 11 3HG3 THR 11 11.897 -1.486 7.557 79 H CYS 12 H CYS 12 8.458 -0.583 7.150 80 HA CYS 12 HA CYS 12 9.955 1.462 8.594 81 1HB CYS 12 1HB CYS 12 9.328 2.947 6.948 82 2HB CYS 12 2HB CYS 12 9.296 1.439 6.039 83 H LEU 13 H LEU 13 6.928 -0.139 8.690 84 HA LEU 13 HA LEU 13 5.214 -0.020 10.189 85 1HB LEU 13 1HB LEU 13 6.461 2.345 11.523 86 2HB LEU 13 2HB LEU 13 5.481 1.059 12.224 87 HG LEU 13 HG LEU 13 8.392 0.992 11.475 88 1HD1 LEU 13 1HD1 LEU 13 8.787 1.006 13.677 89 2HD1 LEU 13 2HD1 LEU 13 7.456 -0.096 14.023 90 3HD1 LEU 13 3HD1 LEU 13 7.141 1.627 13.814 91 1HD2 LEU 13 1HD2 LEU 13 8.098 -1.123 10.820 92 2HD2 LEU 13 2HD2 LEU 13 6.452 -1.186 11.453 93 3HD2 LEU 13 3HD2 LEU 13 7.822 -1.477 12.526 94 H VAL 14 H VAL 14 4.210 0.778 8.133 95 HA VAL 14 HA VAL 14 2.864 3.302 8.677 96 HB VAL 14 HB VAL 14 4.370 2.779 6.114 97 1HG1 VAL 14 1HG1 VAL 14 2.636 3.807 5.127 98 2HG1 VAL 14 2HG1 VAL 14 2.003 4.424 6.654 99 3HG1 VAL 14 3HG1 VAL 14 3.318 5.270 5.838 100 1HG2 VAL 14 1HG2 VAL 14 4.535 5.181 7.913 101 2HG2 VAL 14 2HG2 VAL 14 5.555 3.761 8.141 102 3HG2 VAL 14 3HG2 VAL 14 5.651 4.683 6.641 103 H GLN 15 H GLN 15 0.759 3.222 8.162 104 HA GLN 15 HA GLN 15 -0.298 0.772 7.065 105 1HB GLN 15 1HB GLN 15 -1.758 3.276 7.921 106 2HB GLN 15 2HB GLN 15 -2.484 1.707 7.603 107 1HG GLN 15 1HG GLN 15 -2.362 1.787 9.910 108 2HG GLN 15 2HG GLN 15 -0.943 0.843 9.462 109 1HE2 GLN 15 2HE2 GLN 15 -0.227 1.467 11.621 110 2HE2 GLN 15 1HE2 GLN 15 0.570 2.987 11.827 111 H ASN 16 H ASN 16 -1.560 0.570 5.199 112 HA ASN 16 HA ASN 16 -1.698 2.848 3.381 113 1HB ASN 16 1HB ASN 16 -0.722 0.280 2.214 114 2HB ASN 16 2HB ASN 16 -0.452 1.932 1.670 115 1HD2 ASN 16 2HD2 ASN 16 0.280 -0.192 4.412 116 2HD2 ASN 16 1HD2 ASN 16 1.892 0.383 4.647 117 H LYS 17 H LYS 17 -3.162 2.511 1.591 118 HA LYS 17 HA LYS 17 -5.495 1.069 2.369 119 1HB LYS 17 1HB LYS 17 -6.551 2.059 0.525 120 2HB LYS 17 2HB LYS 17 -5.356 3.250 1.020 121 1HG LYS 17 1HG LYS 17 -3.903 2.642 -0.772 122 2HG LYS 17 2HG LYS 17 -4.914 1.258 -1.191 123 1HD LYS 17 1HD LYS 17 -6.706 2.709 -1.879 124 2HD LYS 17 2HD LYS 17 -5.829 4.130 -1.306 125 1HE LYS 17 1HE LYS 17 -4.738 2.303 -3.431 126 2HE LYS 17 2HE LYS 17 -5.780 3.674 -3.809 127 1HZ LYS 17 1HZ LYS 17 -3.016 3.664 -3.295 128 2HZ LYS 17 2HZ LYS 17 -3.781 4.593 -2.107 129 3HZ LYS 17 3HZ LYS 17 -4.001 4.964 -3.743 130 HA PRO 18 HA PRO 18 -4.779 -2.828 0.463 131 1HB PRO 18 1HB PRO 18 -7.340 -3.587 -0.025 132 2HB PRO 18 2HB PRO 18 -6.636 -3.565 1.596 133 1HG PRO 18 1HG PRO 18 -8.407 -1.546 0.274 134 2HG PRO 18 2HG PRO 18 -8.469 -2.173 1.931 135 1HD PRO 18 1HD PRO 18 -7.374 0.227 1.321 136 2HD PRO 18 2HD PRO 18 -6.778 -0.784 2.654 137 H GLU 19 H GLU 19 -6.149 -0.196 -1.187 138 HA GLU 19 HA GLU 19 -6.496 -1.598 -3.705 139 1HB GLU 19 1HB GLU 19 -6.570 1.385 -3.413 140 2HB GLU 19 2HB GLU 19 -7.456 0.360 -4.534 141 1HG GLU 19 1HG GLU 19 -7.942 0.503 -1.567 142 2HG GLU 19 2HG GLU 19 -8.885 1.343 -2.796 143 H ALA 20 H ALA 20 -3.936 -0.313 -2.018 144 HA ALA 20 HA ALA 20 -2.475 0.681 -4.323 145 1HB ALA 20 1HB ALA 20 -0.673 1.122 -2.694 146 2HB ALA 20 2HB ALA 20 -2.205 1.868 -2.238 147 3HB ALA 20 3HB ALA 20 -1.666 0.394 -1.433 148 H ILE 21 H ILE 21 -0.096 -0.104 -4.444 149 HA ILE 21 HA ILE 21 -0.130 -3.051 -4.410 150 HB ILE 21 HB ILE 21 -0.007 -2.394 -6.670 151 1HG1 ILE 21 1HG1 ILE 21 2.265 -3.090 -7.362 152 2HG1 ILE 21 2HG1 ILE 21 2.820 -2.884 -5.705 153 1HG2 ILE 21 1HG2 ILE 21 0.452 -0.195 -6.903 154 2HG2 ILE 21 2HG2 ILE 21 1.651 -0.196 -5.610 155 3HG2 ILE 21 3HG2 ILE 21 2.081 -0.796 -7.212 156 1HD1 ILE 21 1HD1 ILE 21 2.435 -5.209 -6.147 157 2HD1 ILE 21 2HD1 ILE 21 1.228 -4.630 -4.999 158 3HD1 ILE 21 3HD1 ILE 21 0.792 -4.873 -6.690 159 H LYS 22 H LYS 22 1.454 -0.227 -3.293 160 HA LYS 22 HA LYS 22 3.363 -1.863 -1.825 161 1HB LYS 22 1HB LYS 22 5.237 -0.308 -2.441 162 2HB LYS 22 2HB LYS 22 4.682 -1.344 -3.749 163 1HG LYS 22 1HG LYS 22 3.260 0.602 -4.512 164 2HG LYS 22 2HG LYS 22 4.162 1.589 -3.359 165 1HD LYS 22 1HD LYS 22 6.245 1.033 -4.481 166 2HD LYS 22 2HD LYS 22 5.382 -0.028 -5.598 167 1HE LYS 22 1HE LYS 22 4.626 2.859 -5.348 168 2HE LYS 22 2HE LYS 22 6.001 2.380 -6.343 169 1HZ LYS 22 1HZ LYS 22 3.447 2.472 -7.187 170 2HZ LYS 22 2HZ LYS 22 3.613 0.833 -6.806 171 3HZ LYS 22 3HZ LYS 22 4.667 1.553 -7.914 172 H CYS 23 H CYS 23 4.758 -0.253 -0.402 173 HA CYS 23 HA CYS 23 2.904 1.086 1.284 174 1HB CYS 23 1HB CYS 23 5.231 -0.042 1.806 175 2HB CYS 23 2HB CYS 23 5.847 1.577 1.488 176 H VAL 24 H VAL 24 2.858 3.318 1.849 177 HA VAL 24 HA VAL 24 3.570 5.067 -0.402 178 HB VAL 24 HB VAL 24 1.148 4.858 0.473 179 1HG1 VAL 24 1HG1 VAL 24 0.527 6.102 2.371 180 2HG1 VAL 24 2HG1 VAL 24 1.933 5.161 2.875 181 3HG1 VAL 24 3HG1 VAL 24 2.109 6.872 2.485 182 1HG2 VAL 24 1HG2 VAL 24 2.510 6.832 -0.844 183 2HG2 VAL 24 2HG2 VAL 24 0.761 6.772 -0.625 184 3HG2 VAL 24 2HG3 VAL 24 1.758 7.716 0.483 185 H ALA 25 H ALA 25 5.246 4.152 1.986 186 HA ALA 25 HA ALA 25 6.179 6.842 2.712 187 1HB ALA 25 1HB ALA 25 6.752 5.810 4.996 188 2HB ALA 25 2HB ALA 25 5.076 6.260 4.678 189 3HB ALA 25 3HB ALA 25 5.572 4.571 4.570 190 H CYS 26 H CYS 26 6.941 3.374 2.653 191 HA CYS 26 HA CYS 26 9.779 4.072 2.300 192 1HB CYS 26 1HB CYS 26 10.370 1.983 3.244 193 2HB CYS 26 2HB CYS 26 9.084 2.610 4.270 194 H GLU 27 H GLU 27 7.036 2.860 0.731 195 HA GLU 27 HA GLU 27 6.701 2.156 -1.412 196 1HB GLU 27 1HB GLU 27 9.611 2.182 -2.058 197 2HB GLU 27 2HB GLU 27 8.240 2.674 -3.042 198 1HG GLU 27 1HG GLU 27 8.048 4.571 -1.230 199 2HG GLU 27 2HG GLU 27 9.756 4.203 -0.997 200 H THR 28 H THR 28 6.799 0.258 0.507 201 HA THR 28 HA THR 28 8.576 -1.878 -0.364 202 HB THR 28 HB THR 28 7.023 -1.311 2.046 203 HG1 THR 28 1HG THR 28 8.763 -2.987 2.694 204 1HG2 THR 28 1HG2 THR 28 5.616 -3.114 1.495 205 2HG2 THR 28 2HG2 THR 28 6.833 -3.811 2.564 206 3HG2 THR 28 3HG2 THR 28 6.945 -4.055 0.821 207 HA PRO 29 HA PRO 29 5.641 -3.833 -2.999 208 1HB PRO 29 1HB PRO 29 6.579 -6.377 -2.890 209 2HB PRO 29 2HB PRO 29 7.399 -5.089 -3.779 210 1HG PRO 29 1HG PRO 29 7.992 -6.186 -1.058 211 2HG PRO 29 2HG PRO 29 9.116 -5.760 -2.361 212 1HD PRO 29 1HD PRO 29 8.659 -4.137 -0.242 213 2HD PRO 29 2HD PRO 29 9.042 -3.511 -1.858 214 H LYS 30 H LYS 30 3.600 -4.089 -2.337 215 HA LYS 30 HA LYS 30 2.770 -5.106 0.125 216 1HB LYS 30 1HB LYS 30 1.275 -3.736 -1.145 217 2HB LYS 30 2HB LYS 30 1.318 -4.846 -2.509 218 1HG LYS 30 1HG LYS 30 0.366 -6.524 -0.694 219 2HG LYS 30 2HG LYS 30 -0.193 -5.017 0.034 220 1HD LYS 30 1HD LYS 30 -0.658 -5.242 -2.859 221 2HD LYS 30 2HD LYS 30 -1.542 -6.408 -1.872 222 1HE LYS 30 1HE LYS 30 -2.352 -4.513 -0.477 223 2HE LYS 30 2HE LYS 30 -1.576 -3.403 -1.606 224 1HZ LYS 30 1HZ LYS 30 -3.578 -3.447 -2.588 225 2HZ LYS 30 2HZ LYS 30 -4.024 -4.925 -1.896 226 3HZ LYS 30 3HZ LYS 30 -3.034 -4.898 -3.268 227 HA PRO 31 HA PRO 31 3.167 -9.471 -0.301 228 1HB PRO 31 1HB PRO 31 1.343 -10.248 1.553 229 2HB PRO 31 2HB PRO 31 2.916 -9.564 1.980 230 1HG PRO 31 1HG PRO 31 0.239 -8.230 1.872 231 2HG PRO 31 2HG PRO 31 1.514 -8.081 3.095 232 1HD PRO 31 1HD PRO 31 1.128 -6.229 1.158 233 2HD PRO 31 2HD PRO 31 2.733 -6.595 1.823 Start of MODEL 3 1 1H GLY 0 1H GLY 0 -20.982 3.538 3.893 2 1HA GLY 0 1HA GLY 0 -21.921 2.225 5.790 3 2HA GLY 0 2HA GLY 0 -20.622 1.078 5.493 4 H HIS 1 H HIS 1 -18.419 2.587 5.237 5 HA HIS 1 HA HIS 1 -18.129 4.709 7.059 6 1HB HIS 1 1HB HIS 1 -16.786 3.440 8.799 7 2HB HIS 1 2HB HIS 1 -18.529 3.188 8.842 8 HD1 HIS 1 HD1 HIS 1 -15.336 1.414 8.486 9 HD2 HIS 1 HD2 HIS 1 -19.356 0.629 7.794 10 HE1 HIS 1 HE1 HIS 1 -15.501 -1.083 8.244 11 H MET 2 H MET 2 -15.604 4.657 7.841 12 HA MET 2 HA MET 2 -14.124 5.063 5.505 13 1HB MET 2 1HB MET 2 -13.662 6.026 7.794 14 2HB MET 2 2HB MET 2 -12.962 4.473 8.229 15 1HG MET 2 1HG MET 2 -11.179 5.910 7.637 16 2HG MET 2 2HG MET 2 -11.372 4.749 6.325 17 1HE MET 2 1HE MET 2 -11.724 8.900 6.993 18 2HE MET 2 2HE MET 2 -10.379 7.778 7.198 19 3HE MET 2 3HE MET 2 -10.477 8.783 5.752 20 H VAL 3 H VAL 3 -12.225 3.936 4.741 21 HA VAL 3 HA VAL 3 -12.654 1.217 4.256 22 HB VAL 3 HB VAL 3 -10.385 1.163 3.331 23 1HG1 VAL 3 1HG1 VAL 3 -10.653 3.177 1.774 24 2HG1 VAL 3 2HG1 VAL 3 -11.968 2.000 1.822 25 3HG1 VAL 3 3HG1 VAL 3 -12.119 3.528 2.690 26 1HG2 VAL 3 1HG2 VAL 3 -9.413 3.716 3.447 27 2HG2 VAL 3 2HG2 VAL 3 -10.064 3.494 5.071 28 3HG2 VAL 3 3HG2 VAL 3 -8.857 2.370 4.443 29 H ILE 4 H ILE 4 -12.219 -0.568 5.374 30 HA ILE 4 HA ILE 4 -10.389 -0.358 7.677 31 HB ILE 4 HB ILE 4 -12.837 -0.676 8.237 32 1HG1 ILE 4 1HG1 ILE 4 -11.276 -3.048 9.194 33 2HG1 ILE 4 2HG1 ILE 4 -10.710 -1.428 9.583 34 1HG2 ILE 4 1HG2 ILE 4 -12.680 -2.639 6.283 35 2HG2 ILE 4 2HG2 ILE 4 -12.782 -3.535 7.799 36 3HG2 ILE 4 3HG2 ILE 4 -14.026 -2.355 7.387 37 1HD1 ILE 4 1HD1 ILE 4 -12.004 -1.697 11.390 38 2HD1 ILE 4 2HD1 ILE 4 -13.305 -1.231 10.294 39 3HD1 ILE 4 3HD1 ILE 4 -12.999 -2.936 10.625 40 H GLY 5 H GLY 5 -9.518 -1.036 5.075 41 1HA GLY 5 1HA GLY 5 -8.789 -3.868 5.501 42 2HA GLY 5 2HA GLY 5 -9.160 -3.238 3.903 43 H THR 6 H THR 6 -7.583 -0.900 5.687 44 HA THR 6 HA THR 6 -5.308 -0.874 4.049 45 HB THR 6 HB THR 6 -4.353 0.715 5.727 46 HG1 THR 6 1HG THR 6 -5.547 1.200 7.550 47 1HG2 THR 6 1HG2 THR 6 -6.772 0.993 4.187 48 2HG2 THR 6 2HG2 THR 6 -5.484 2.166 4.467 49 3HG2 THR 6 3HG2 THR 6 -6.821 2.036 5.608 50 H TRP 7 H TRP 7 -3.281 -1.689 4.251 51 HA TRP 7 HA TRP 7 -2.871 -3.646 6.398 52 1HB TRP 7 1HB TRP 7 -0.923 -4.349 4.847 53 2HB TRP 7 2HB TRP 7 -2.569 -4.726 4.345 54 HD1 TRP 7 1HD TRP 7 -3.655 -2.884 2.516 55 HE1 TRP 7 1HE TRP 7 -2.473 -1.742 0.534 56 HE3 TRP 7 3HE TRP 7 1.199 -3.511 3.993 57 HZ2 TRP 7 2HZ TRP 7 0.167 -1.182 -0.294 58 HZ3 TRP 7 3HZ TRP 7 2.993 -2.644 2.549 59 HH2 TRP 7 2HH TRP 7 2.486 -1.504 0.451 60 H ASP 8 H ASP 8 -1.146 -3.562 7.769 61 HA ASP 8 HA ASP 8 0.306 -1.027 7.839 62 1HB ASP 8 1HB ASP 8 0.341 -3.209 9.925 63 2HB ASP 8 2HB ASP 8 0.806 -1.521 10.122 64 H CYS 9 H CYS 9 2.454 -0.836 7.532 65 HA CYS 9 HA CYS 9 3.868 -2.864 6.186 66 1HB CYS 9 1HB CYS 9 4.222 -0.273 6.235 67 2HB CYS 9 2HB CYS 9 5.275 -0.626 7.601 68 H ASP 10 H ASP 10 6.183 -3.463 6.982 69 HA ASP 10 HA ASP 10 6.155 -4.146 9.834 70 1HB ASP 10 1HB ASP 10 6.321 -6.049 7.524 71 2HB ASP 10 2HB ASP 10 7.156 -6.430 9.028 72 H THR 11 H THR 11 7.665 -2.441 7.686 73 HA THR 11 HA THR 11 10.341 -3.106 8.716 74 HB THR 11 HB THR 11 9.501 -3.149 5.973 75 HG1 THR 11 1HG THR 11 11.580 -4.043 5.756 76 1HG2 THR 11 1HG2 THR 11 10.071 -0.788 5.892 77 2HG2 THR 11 2HG2 THR 11 11.281 -1.729 5.019 78 3HG2 THR 11 3HG3 THR 11 11.636 -1.118 6.634 79 H CYS 12 H CYS 12 8.142 -0.657 7.472 80 HA CYS 12 HA CYS 12 9.858 1.416 8.673 81 1HB CYS 12 1HB CYS 12 9.350 2.882 6.975 82 2HB CYS 12 2HB CYS 12 9.288 1.360 6.092 83 H LEU 13 H LEU 13 6.989 -0.255 8.992 84 HA LEU 13 HA LEU 13 5.166 -0.021 10.329 85 1HB LEU 13 1HB LEU 13 7.124 1.867 11.538 86 2HB LEU 13 2HB LEU 13 5.452 1.921 12.093 87 HG LEU 13 HG LEU 13 5.773 -0.635 12.467 88 1HD1 LEU 13 1HD1 LEU 13 8.597 0.364 12.260 89 2HD1 LEU 13 2HD1 LEU 13 7.860 -1.023 11.459 90 3HD1 LEU 13 3HD1 LEU 13 8.165 -1.066 13.195 91 1HD2 LEU 13 1HD2 LEU 13 5.360 0.912 14.262 92 2HD2 LEU 13 2HD2 LEU 13 7.031 1.475 14.215 93 3HD2 LEU 13 3HD2 LEU 13 6.669 -0.172 14.731 94 H VAL 14 H VAL 14 4.101 0.704 8.332 95 HA VAL 14 HA VAL 14 2.803 3.256 8.772 96 HB VAL 14 HB VAL 14 4.410 2.718 6.277 97 1HG1 VAL 14 1HG1 VAL 14 3.412 4.670 5.283 98 2HG1 VAL 14 2HG1 VAL 14 2.133 3.541 5.734 99 3HG1 VAL 14 3HG1 VAL 14 2.449 4.962 6.731 100 1HG2 VAL 14 1HG2 VAL 14 5.664 3.722 8.096 101 2HG2 VAL 14 2HG2 VAL 14 5.419 4.900 6.806 102 3HG2 VAL 14 3HG2 VAL 14 4.441 4.981 8.272 103 H GLN 15 H GLN 15 0.713 3.165 8.210 104 HA GLN 15 HA GLN 15 -0.300 0.713 7.061 105 1HB GLN 15 1HB GLN 15 -1.669 3.180 8.136 106 2HB GLN 15 2HB GLN 15 -2.536 1.798 7.480 107 1HG GLN 15 1HG GLN 15 -1.297 0.401 9.203 108 2HG GLN 15 2HG GLN 15 -0.843 1.932 9.949 109 1HE2 GLN 15 2HE2 GLN 15 -2.619 3.380 10.550 110 2HE2 GLN 15 1HE2 GLN 15 -4.100 2.685 11.103 111 H ASN 16 H ASN 16 -1.600 0.567 5.197 112 HA ASN 16 HA ASN 16 -1.712 2.877 3.424 113 1HB ASN 16 1HB ASN 16 -0.721 0.339 2.205 114 2HB ASN 16 2HB ASN 16 -0.450 2.005 1.702 115 1HD2 ASN 16 2HD2 ASN 16 0.223 -0.092 4.487 116 2HD2 ASN 16 1HD2 ASN 16 1.849 0.446 4.712 117 H LYS 17 H LYS 17 -3.151 2.564 1.601 118 HA LYS 17 HA LYS 17 -5.503 1.137 2.330 119 1HB LYS 17 1HB LYS 17 -6.516 2.138 0.481 120 2HB LYS 17 2HB LYS 17 -5.285 3.305 0.947 121 1HG LYS 17 1HG LYS 17 -3.876 2.673 -0.843 122 2HG LYS 17 2HG LYS 17 -4.846 1.241 -1.192 123 1HD LYS 17 1HD LYS 17 -5.597 2.667 -2.826 124 2HD LYS 17 2HD LYS 17 -6.755 3.014 -1.540 125 1HE LYS 17 1HE LYS 17 -4.220 4.590 -1.923 126 2HE LYS 17 2HE LYS 17 -5.735 5.016 -2.718 127 1HZ LYS 17 1HZ LYS 17 -6.705 4.973 -0.374 128 2HZ LYS 17 2HZ LYS 17 -5.722 6.286 -0.790 129 3HZ LYS 17 3HZ LYS 17 -5.103 5.035 0.167 130 HA PRO 18 HA PRO 18 -4.760 -2.787 0.490 131 1HB PRO 18 1HB PRO 18 -7.318 -3.557 0.009 132 2HB PRO 18 2HB PRO 18 -6.617 -3.514 1.631 133 1HG PRO 18 1HG PRO 18 -8.389 -1.515 0.280 134 2HG PRO 18 2HG PRO 18 -8.452 -2.121 1.945 135 1HD PRO 18 1HD PRO 18 -7.360 0.273 1.306 136 2HD PRO 18 2HD PRO 18 -6.764 -0.719 2.652 137 H GLU 19 H GLU 19 -6.145 -0.181 -1.195 138 HA GLU 19 HA GLU 19 -6.480 -1.618 -3.695 139 1HB GLU 19 1HB GLU 19 -8.086 0.016 -3.614 140 2HB GLU 19 2HB GLU 19 -7.063 1.128 -2.715 141 1HG GLU 19 1HG GLU 19 -5.886 1.765 -4.673 142 2HG GLU 19 2HG GLU 19 -6.623 0.467 -5.612 143 H ALA 20 H ALA 20 -3.929 -0.301 -2.023 144 HA ALA 20 HA ALA 20 -2.469 0.677 -4.337 145 1HB ALA 20 1HB ALA 20 -0.666 1.131 -2.707 146 2HB ALA 20 2HB ALA 20 -2.198 1.887 -2.268 147 3HB ALA 20 3HB ALA 20 -1.669 0.422 -1.442 148 H ILE 21 H ILE 21 -0.102 -0.102 -4.483 149 HA ILE 21 HA ILE 21 -0.123 -3.047 -4.424 150 HB ILE 21 HB ILE 21 1.431 -1.218 -6.259 151 1HG1 ILE 21 1HG1 ILE 21 -0.902 -1.205 -6.865 152 2HG1 ILE 21 2HG1 ILE 21 -0.041 -2.218 -8.019 153 1HG2 ILE 21 1HG2 ILE 21 2.005 -3.317 -7.444 154 2HG2 ILE 21 2HG2 ILE 21 2.681 -3.225 -5.819 155 3HG2 ILE 21 3HG2 ILE 21 1.261 -4.224 -6.128 156 1HD1 ILE 21 1HD1 ILE 21 -0.758 -4.144 -6.410 157 2HD1 ILE 21 2HD1 ILE 21 -1.988 -2.984 -5.906 158 3HD1 ILE 21 3HD1 ILE 21 -1.891 -3.490 -7.592 159 H LYS 22 H LYS 22 1.471 -0.211 -3.331 160 HA LYS 22 HA LYS 22 3.373 -1.849 -1.849 161 1HB LYS 22 1HB LYS 22 5.240 -0.284 -2.443 162 2HB LYS 22 2HB LYS 22 4.688 -1.297 -3.770 163 1HG LYS 22 1HG LYS 22 3.265 0.657 -4.502 164 2HG LYS 22 2HG LYS 22 4.158 1.626 -3.328 165 1HD LYS 22 1HD LYS 22 6.263 0.981 -4.457 166 2HD LYS 22 2HD LYS 22 5.317 0.110 -5.667 167 1HE LYS 22 1HE LYS 22 5.876 2.253 -6.567 168 2HE LYS 22 2HE LYS 22 4.154 2.253 -6.192 169 1HZ LYS 22 1HZ LYS 22 5.689 3.159 -3.977 170 2HZ LYS 22 2HZ LYS 22 4.429 3.935 -4.794 171 3HZ LYS 22 3HZ LYS 22 6.018 4.087 -5.352 172 H CYS 23 H CYS 23 4.763 -0.214 -0.426 173 HA CYS 23 HA CYS 23 2.894 1.076 1.283 174 1HB CYS 23 1HB CYS 23 5.252 -0.005 1.776 175 2HB CYS 23 2HB CYS 23 5.827 1.631 1.468 176 H VAL 24 H VAL 24 2.963 3.330 1.943 177 HA VAL 24 HA VAL 24 3.551 5.098 -0.336 178 HB VAL 24 HB VAL 24 1.179 5.004 0.329 179 1HG1 VAL 24 1HG1 VAL 24 0.556 4.980 2.459 180 2HG1 VAL 24 2HG1 VAL 24 2.251 5.089 2.938 181 3HG1 VAL 24 3HG1 VAL 24 1.297 6.558 2.722 182 1HG2 VAL 24 1HG2 VAL 24 2.604 7.177 -0.358 183 2HG2 VAL 24 2HG2 VAL 24 0.859 7.202 -0.102 184 3HG2 VAL 24 2HG3 VAL 24 1.946 7.724 1.184 185 H ALA 25 H ALA 25 5.267 4.171 2.039 186 HA ALA 25 HA ALA 25 6.231 6.859 2.726 187 1HB ALA 25 1HB ALA 25 5.169 6.364 4.719 188 2HB ALA 25 2HB ALA 25 5.550 4.644 4.616 189 3HB ALA 25 3HB ALA 25 6.815 5.805 5.022 190 H CYS 26 H CYS 26 6.918 3.392 2.570 191 HA CYS 26 HA CYS 26 9.774 4.040 2.241 192 1HB CYS 26 1HB CYS 26 10.353 1.975 3.222 193 2HB CYS 26 2HB CYS 26 9.055 2.604 4.234 194 H GLU 27 H GLU 27 7.005 2.905 0.692 195 HA GLU 27 HA GLU 27 6.627 2.139 -1.419 196 1HB GLU 27 1HB GLU 27 9.568 2.286 -2.008 197 2HB GLU 27 2HB GLU 27 8.213 2.521 -3.103 198 1HG GLU 27 1HG GLU 27 9.337 4.399 -1.068 199 2HG GLU 27 2HG GLU 27 9.055 4.658 -2.788 200 H THR 28 H THR 28 6.756 0.251 0.494 201 HA THR 28 HA THR 28 8.548 -1.873 -0.368 202 HB THR 28 HB THR 28 6.987 -1.309 2.036 203 HG1 THR 28 1HG THR 28 9.209 -3.010 1.477 204 1HG2 THR 28 1HG2 THR 28 6.755 -3.777 2.579 205 2HG2 THR 28 2HG2 THR 28 6.954 -4.079 0.853 206 3HG2 THR 28 3HG2 THR 28 5.588 -3.123 1.430 207 HA PRO 29 HA PRO 29 5.642 -3.859 -3.012 208 1HB PRO 29 1HB PRO 29 6.606 -6.394 -2.896 209 2HB PRO 29 2HB PRO 29 7.416 -5.097 -3.784 210 1HG PRO 29 1HG PRO 29 8.011 -6.186 -1.059 211 2HG PRO 29 2HG PRO 29 9.135 -5.749 -2.360 212 1HD PRO 29 1HD PRO 29 8.654 -4.128 -0.244 213 2HD PRO 29 2HD PRO 29 9.036 -3.501 -1.860 214 H LYS 30 H LYS 30 3.606 -4.075 -2.298 215 HA LYS 30 HA LYS 30 2.779 -5.115 0.142 216 1HB LYS 30 1HB LYS 30 1.272 -3.765 -1.130 217 2HB LYS 30 2HB LYS 30 1.332 -4.873 -2.494 218 1HG LYS 30 1HG LYS 30 0.387 -6.566 -0.699 219 2HG LYS 30 2HG LYS 30 -0.175 -5.071 0.053 220 1HD LYS 30 1HD LYS 30 -0.651 -5.279 -2.844 221 2HD LYS 30 2HD LYS 30 -1.543 -6.433 -1.850 222 1HE LYS 30 1HE LYS 30 -2.331 -4.530 -0.458 223 2HE LYS 30 2HE LYS 30 -1.541 -3.429 -1.584 224 1HZ LYS 30 1HZ LYS 30 -3.551 -3.446 -2.556 225 2HZ LYS 30 2HZ LYS 30 -4.004 -4.929 -1.882 226 3HZ LYS 30 3HZ LYS 30 -3.014 -4.891 -3.253 227 HA PRO 31 HA PRO 31 3.214 -9.478 -0.264 228 1HB PRO 31 1HB PRO 31 1.391 -10.261 1.589 229 2HB PRO 31 2HB PRO 31 2.957 -9.564 2.018 230 1HG PRO 31 1HG PRO 31 0.269 -8.253 1.897 231 2HG PRO 31 2HG PRO 31 1.540 -8.087 3.122 232 1HD PRO 31 1HD PRO 31 1.144 -6.247 1.176 233 2HD PRO 31 2HD PRO 31 2.751 -6.597 1.847 Start of MODEL 4 1 1H GLY 0 1H GLY 0 -10.453 -11.488 -3.862 2 1HA GLY 0 1HA GLY 0 -13.042 -10.847 -2.758 3 2HA GLY 0 2HA GLY 0 -12.130 -11.998 -1.793 4 H HIS 1 H HIS 1 -12.887 -9.545 -0.771 5 HA HIS 1 HA HIS 1 -10.395 -7.982 -0.774 6 1HB HIS 1 1HB HIS 1 -13.261 -7.262 -0.281 7 2HB HIS 1 2HB HIS 1 -11.984 -6.284 0.438 8 HD1 HIS 1 HD1 HIS 1 -13.527 -4.689 -1.396 9 HD2 HIS 1 HD2 HIS 1 -10.533 -7.194 -2.818 10 HE1 HIS 1 HE1 HIS 1 -12.912 -3.783 -3.660 11 H MET 2 H MET 2 -10.184 -10.251 0.645 12 HA MET 2 HA MET 2 -11.026 -10.466 3.220 13 1HB MET 2 1HB MET 2 -8.548 -11.289 3.635 14 2HB MET 2 2HB MET 2 -9.658 -12.210 2.629 15 1HG MET 2 1HG MET 2 -8.577 -11.667 0.691 16 2HG MET 2 2HG MET 2 -7.943 -10.157 1.340 17 1HE MET 2 1HE MET 2 -5.357 -10.516 3.314 18 2HE MET 2 2HE MET 2 -4.568 -10.727 1.751 19 3HE MET 2 3HE MET 2 -5.997 -9.701 1.887 20 H VAL 3 H VAL 3 -8.759 -8.144 1.941 21 HA VAL 3 HA VAL 3 -7.496 -7.264 4.246 22 HB VAL 3 HB VAL 3 -7.278 -5.062 3.108 23 1HG1 VAL 3 1HG1 VAL 3 -5.618 -6.682 2.621 24 2HG1 VAL 3 2HG1 VAL 3 -6.696 -7.563 1.536 25 3HG1 VAL 3 3HG1 VAL 3 -6.090 -5.971 1.079 26 1HG2 VAL 3 1HG2 VAL 3 -9.087 -4.555 1.849 27 2HG2 VAL 3 2HG2 VAL 3 -8.149 -5.348 0.583 28 3HG2 VAL 3 3HG2 VAL 3 -9.409 -6.240 1.437 29 H ILE 4 H ILE 4 -8.326 -6.562 6.090 30 HA ILE 4 HA ILE 4 -10.965 -5.958 6.605 31 HB ILE 4 HB ILE 4 -8.426 -5.223 8.009 32 1HG1 ILE 4 1HG1 ILE 4 -10.839 -6.812 8.900 33 2HG1 ILE 4 2HG1 ILE 4 -9.419 -7.520 8.138 34 1HG2 ILE 4 1HG2 ILE 4 -9.959 -4.368 9.875 35 2HG2 ILE 4 2HG2 ILE 4 -9.649 -3.298 8.509 36 3HG2 ILE 4 3HG2 ILE 4 -11.172 -4.181 8.610 37 1HD1 ILE 4 1HD1 ILE 4 -8.153 -6.327 10.085 38 2HD1 ILE 4 2HD1 ILE 4 -9.738 -6.369 10.860 39 3HD1 ILE 4 3HD1 ILE 4 -8.965 -7.869 10.350 40 H GLY 5 H GLY 5 -8.666 -4.057 4.956 41 1HA GLY 5 1HA GLY 5 -9.957 -2.204 3.735 42 2HA GLY 5 2HA GLY 5 -10.264 -1.615 5.362 43 H THR 6 H THR 6 -7.286 -2.964 5.483 44 HA THR 6 HA THR 6 -5.599 -1.156 4.180 45 HB THR 6 HB THR 6 -4.902 -0.035 6.516 46 HG1 THR 6 1HG THR 6 -7.159 -1.140 7.151 47 1HG2 THR 6 1HG2 THR 6 -7.011 1.593 5.521 48 2HG2 THR 6 2HG2 THR 6 -6.256 0.778 4.151 49 3HG2 THR 6 3HG2 THR 6 -5.277 1.754 5.247 50 H TRP 7 H TRP 7 -3.411 -1.560 4.586 51 HA TRP 7 HA TRP 7 -2.872 -3.740 6.494 52 1HB TRP 7 1HB TRP 7 -1.086 -4.470 4.844 53 2HB TRP 7 2HB TRP 7 -2.754 -4.735 4.340 54 HD1 TRP 7 1HD TRP 7 -3.744 -2.825 2.558 55 HE1 TRP 7 1HE TRP 7 -2.513 -1.638 0.634 56 HE3 TRP 7 3HE TRP 7 1.074 -3.621 4.068 57 HZ2 TRP 7 2HZ TRP 7 0.150 -1.111 -0.140 58 HZ3 TRP 7 3HZ TRP 7 2.906 -2.743 2.679 59 HH2 TRP 7 2HH TRP 7 2.451 -1.515 0.618 60 H ASP 8 H ASP 8 -1.105 -3.547 7.775 61 HA ASP 8 HA ASP 8 0.299 -0.985 7.683 62 1HB ASP 8 1HB ASP 8 0.642 -3.035 9.851 63 2HB ASP 8 2HB ASP 8 0.802 -1.283 9.948 64 H CYS 9 H CYS 9 2.570 -0.827 7.762 65 HA CYS 9 HA CYS 9 3.924 -2.812 6.205 66 1HB CYS 9 1HB CYS 9 4.289 -0.239 6.246 67 2HB CYS 9 2HB CYS 9 5.311 -0.567 7.641 68 H ASP 10 H ASP 10 6.197 -3.507 6.935 69 HA ASP 10 HA ASP 10 6.152 -4.281 9.774 70 1HB ASP 10 1HB ASP 10 6.600 -6.505 9.323 71 2HB ASP 10 2HB ASP 10 5.523 -6.098 7.990 72 H THR 11 H THR 11 7.707 -2.541 7.533 73 HA THR 11 HA THR 11 10.356 -3.058 8.723 74 HB THR 11 HB THR 11 9.607 -2.353 5.903 75 HG1 THR 11 1HG THR 11 10.052 -4.478 6.095 76 1HG2 THR 11 1HG2 THR 11 11.992 -1.821 5.482 77 2HG2 THR 11 2HG2 THR 11 12.277 -1.846 7.223 78 3HG2 THR 11 3HG3 THR 11 11.200 -0.639 6.522 79 H CYS 12 H CYS 12 8.420 -0.524 7.125 80 HA CYS 12 HA CYS 12 9.891 1.505 8.640 81 1HB CYS 12 1HB CYS 12 9.343 3.027 7.003 82 2HB CYS 12 2HB CYS 12 9.351 1.545 6.053 83 H LEU 13 H LEU 13 7.042 -0.257 8.792 84 HA LEU 13 HA LEU 13 5.195 -0.148 10.112 85 1HB LEU 13 1HB LEU 13 7.110 1.664 11.483 86 2HB LEU 13 2HB LEU 13 5.425 1.699 11.998 87 HG LEU 13 HG LEU 13 5.762 -0.902 12.182 88 1HD1 LEU 13 1HD1 LEU 13 8.116 -1.293 13.073 89 2HD1 LEU 13 2HD1 LEU 13 8.554 0.196 12.236 90 3HD1 LEU 13 3HD1 LEU 13 7.925 -1.175 11.323 91 1HD2 LEU 13 1HD2 LEU 13 6.924 -0.251 14.527 92 2HD2 LEU 13 2HD2 LEU 13 5.207 -0.041 14.188 93 3HD2 LEU 13 3HD2 LEU 13 6.311 1.326 14.026 94 H VAL 14 H VAL 14 3.990 0.632 8.295 95 HA VAL 14 HA VAL 14 2.740 3.179 8.828 96 HB VAL 14 HB VAL 14 4.266 2.726 6.264 97 1HG1 VAL 14 1HG1 VAL 14 2.354 4.976 6.870 98 2HG1 VAL 14 2HG1 VAL 14 3.248 4.707 5.372 99 3HG1 VAL 14 3HG1 VAL 14 1.970 3.590 5.851 100 1HG2 VAL 14 1HG2 VAL 14 4.393 4.875 8.376 101 2HG2 VAL 14 2HG2 VAL 14 5.614 3.648 8.042 102 3HG2 VAL 14 3HG2 VAL 14 5.282 4.907 6.853 103 H GLN 15 H GLN 15 0.654 3.234 8.145 104 HA GLN 15 HA GLN 15 -0.438 0.776 7.078 105 1HB GLN 15 1HB GLN 15 -1.862 3.322 7.868 106 2HB GLN 15 2HB GLN 15 -2.612 1.763 7.551 107 1HG GLN 15 1HG GLN 15 -2.548 1.874 9.861 108 2HG GLN 15 2HG GLN 15 -1.142 0.890 9.460 109 1HE2 GLN 15 2HE2 GLN 15 -2.113 4.225 10.122 110 2HE2 GLN 15 1HE2 GLN 15 -0.646 4.682 10.912 111 H ASN 16 H ASN 16 -1.618 0.572 5.171 112 HA ASN 16 HA ASN 16 -1.689 2.838 3.336 113 1HB ASN 16 1HB ASN 16 -0.678 0.263 2.217 114 2HB ASN 16 2HB ASN 16 -0.388 1.912 1.673 115 1HD2 ASN 16 2HD2 ASN 16 0.218 -0.134 4.508 116 2HD2 ASN 16 1HD2 ASN 16 1.835 0.416 4.770 117 H LYS 17 H LYS 17 -3.224 2.643 1.676 118 HA LYS 17 HA LYS 17 -5.537 1.173 2.329 119 1HB LYS 17 1HB LYS 17 -6.535 2.172 0.470 120 2HB LYS 17 2HB LYS 17 -5.303 3.335 0.940 121 1HG LYS 17 1HG LYS 17 -3.883 2.689 -0.839 122 2HG LYS 17 2HG LYS 17 -4.862 1.263 -1.192 123 1HD LYS 17 1HD LYS 17 -5.524 2.748 -2.844 124 2HD LYS 17 2HD LYS 17 -6.762 2.981 -1.607 125 1HE LYS 17 1HE LYS 17 -4.292 4.690 -1.836 126 2HE LYS 17 2HE LYS 17 -5.824 5.089 -2.612 127 1HZ LYS 17 1HZ LYS 17 -6.581 4.620 -0.077 128 2HZ LYS 17 2HZ LYS 17 -6.235 6.152 -0.704 129 3HZ LYS 17 3HZ LYS 17 -5.053 5.306 0.161 130 HA PRO 18 HA PRO 18 -4.797 -2.760 0.505 131 1HB PRO 18 1HB PRO 18 -7.355 -3.522 0.010 132 2HB PRO 18 2HB PRO 18 -6.665 -3.476 1.637 133 1HG PRO 18 1HG PRO 18 -8.421 -1.475 0.268 134 2HG PRO 18 2HG PRO 18 -8.497 -2.075 1.935 135 1HD PRO 18 1HD PRO 18 -7.392 0.312 1.294 136 2HD PRO 18 2HD PRO 18 -6.808 -0.677 2.648 137 H GLU 19 H GLU 19 -6.148 -0.151 -1.198 138 HA GLU 19 HA GLU 19 -6.479 -1.595 -3.695 139 1HB GLU 19 1HB GLU 19 -8.083 0.062 -3.560 140 2HB GLU 19 2HB GLU 19 -6.998 1.194 -2.763 141 1HG GLU 19 1HG GLU 19 -7.535 1.935 -5.006 142 2HG GLU 19 2HG GLU 19 -5.819 1.559 -4.862 143 H ALA 20 H ALA 20 -3.929 -0.293 -2.010 144 HA ALA 20 HA ALA 20 -2.448 0.671 -4.315 145 1HB ALA 20 1HB ALA 20 -1.646 0.400 -1.421 146 2HB ALA 20 2HB ALA 20 -0.660 1.133 -2.686 147 3HB ALA 20 3HB ALA 20 -2.196 1.869 -2.227 148 H ILE 21 H ILE 21 -0.096 -0.127 -4.466 149 HA ILE 21 HA ILE 21 -0.133 -3.072 -4.389 150 HB ILE 21 HB ILE 21 1.429 -1.265 -6.238 151 1HG1 ILE 21 1HG1 ILE 21 -0.099 -2.552 -7.929 152 2HG1 ILE 21 2HG1 ILE 21 -1.129 -2.805 -6.525 153 1HG2 ILE 21 1HG2 ILE 21 2.615 -3.338 -5.713 154 2HG2 ILE 21 2HG2 ILE 21 1.198 -4.271 -6.187 155 3HG2 ILE 21 3HG2 ILE 21 2.068 -3.320 -7.389 156 1HD1 ILE 21 1HD1 ILE 21 -1.512 -0.503 -6.267 157 2HD1 ILE 21 2HD1 ILE 21 -0.196 -0.082 -7.366 158 3HD1 ILE 21 3HD1 ILE 21 -1.667 -0.825 -7.995 159 H LYS 22 H LYS 22 1.477 -0.241 -3.312 160 HA LYS 22 HA LYS 22 3.382 -1.885 -1.836 161 1HB LYS 22 1HB LYS 22 5.250 -0.334 -2.430 162 2HB LYS 22 2HB LYS 22 4.676 -1.312 -3.775 163 1HG LYS 22 1HG LYS 22 3.313 0.633 -4.520 164 2HG LYS 22 2HG LYS 22 4.087 1.593 -3.257 165 1HD LYS 22 1HD LYS 22 5.301 2.026 -5.238 166 2HD LYS 22 2HD LYS 22 6.299 0.919 -4.292 167 1HE LYS 22 1HE LYS 22 6.339 0.156 -6.545 168 2HE LYS 22 2HE LYS 22 5.323 -0.959 -5.634 169 1HZ LYS 22 1HZ LYS 22 3.614 0.978 -6.562 170 2HZ LYS 22 2HZ LYS 22 3.776 -0.595 -7.163 171 3HZ LYS 22 3HZ LYS 22 4.650 0.672 -7.865 172 H CYS 23 H CYS 23 4.787 -0.225 -0.433 173 HA CYS 23 HA CYS 23 2.917 1.044 1.298 174 1HB CYS 23 1HB CYS 23 5.283 -0.031 1.774 175 2HB CYS 23 2HB CYS 23 5.847 1.609 1.474 176 H VAL 24 H VAL 24 2.941 3.289 1.945 177 HA VAL 24 HA VAL 24 3.517 5.066 -0.327 178 HB VAL 24 HB VAL 24 1.151 4.944 0.400 179 1HG1 VAL 24 1HG1 VAL 24 1.339 4.539 2.731 180 2HG1 VAL 24 2HG1 VAL 24 2.284 6.009 2.977 181 3HG1 VAL 24 3HG1 VAL 24 0.576 6.118 2.550 182 1HG2 VAL 24 1HG2 VAL 24 2.702 7.218 -0.137 183 2HG2 VAL 24 2HG2 VAL 24 0.962 7.028 -0.353 184 3HG2 VAL 24 2HG3 VAL 24 1.596 7.678 1.158 185 H ALA 25 H ALA 25 5.252 4.137 2.044 186 HA ALA 25 HA ALA 25 6.210 6.829 2.730 187 1HB ALA 25 1HB ALA 25 5.310 6.375 4.771 188 2HB ALA 25 2HB ALA 25 5.471 4.629 4.578 189 3HB ALA 25 3HB ALA 25 6.882 5.606 4.982 190 H CYS 26 H CYS 26 6.973 3.362 2.650 191 HA CYS 26 HA CYS 26 9.800 4.064 2.215 192 1HB CYS 26 1HB CYS 26 10.421 1.972 3.143 193 2HB CYS 26 2HB CYS 26 9.181 2.617 4.213 194 H GLU 27 H GLU 27 7.021 2.892 0.711 195 HA GLU 27 HA GLU 27 6.621 2.157 -1.409 196 1HB GLU 27 1HB GLU 27 9.569 2.325 -1.992 197 2HB GLU 27 2HB GLU 27 8.221 2.499 -3.108 198 1HG GLU 27 1HG GLU 27 7.837 4.665 -2.534 199 2HG GLU 27 2HG GLU 27 8.438 4.454 -0.890 200 H THR 28 H THR 28 6.804 0.268 0.528 201 HA THR 28 HA THR 28 8.563 -1.862 -0.374 202 HB THR 28 HB THR 28 7.050 -1.293 2.053 203 HG1 THR 28 1HG THR 28 8.754 -2.762 2.835 204 1HG2 THR 28 1HG2 THR 28 6.791 -3.765 2.588 205 2HG2 THR 28 2HG2 THR 28 6.935 -4.052 0.855 206 3HG2 THR 28 3HG2 THR 28 5.606 -3.076 1.480 207 HA PRO 29 HA PRO 29 5.620 -3.843 -2.979 208 1HB PRO 29 1HB PRO 29 6.565 -6.385 -2.861 209 2HB PRO 29 2HB PRO 29 7.378 -5.098 -3.761 210 1HG PRO 29 1HG PRO 29 7.987 -6.181 -1.038 211 2HG PRO 29 2HG PRO 29 9.103 -5.758 -2.349 212 1HD PRO 29 1HD PRO 29 8.652 -4.125 -0.236 213 2HD PRO 29 2HD PRO 29 9.026 -3.507 -1.858 214 H LYS 30 H LYS 30 3.584 -4.086 -2.293 215 HA LYS 30 HA LYS 30 2.770 -5.098 0.175 216 1HB LYS 30 1HB LYS 30 1.266 -3.736 -1.092 217 2HB LYS 30 2HB LYS 30 1.302 -4.851 -2.451 218 1HG LYS 30 1HG LYS 30 0.363 -6.522 -0.623 219 2HG LYS 30 2HG LYS 30 -0.192 -5.013 0.103 220 1HD LYS 30 1HD LYS 30 -0.675 -5.266 -2.788 221 2HD LYS 30 2HD LYS 30 -1.566 -6.404 -1.775 222 1HE LYS 30 1HE LYS 30 -2.346 -4.479 -0.408 223 2HE LYS 30 2HE LYS 30 -1.562 -3.396 -1.557 224 1HZ LYS 30 1HZ LYS 30 -3.571 -3.430 -2.525 225 2HZ LYS 30 2HZ LYS 30 -4.029 -4.894 -1.814 226 3HZ LYS 30 3HZ LYS 30 -3.046 -4.893 -3.191 227 HA PRO 31 HA PRO 31 3.169 -9.465 -0.236 228 1HB PRO 31 1HB PRO 31 1.358 -10.234 1.634 229 2HB PRO 31 2HB PRO 31 2.933 -9.548 2.049 230 1HG PRO 31 1HG PRO 31 0.254 -8.217 1.951 231 2HG PRO 31 2HG PRO 31 1.537 -8.062 3.165 232 1HD PRO 31 1HD PRO 31 1.137 -6.217 1.223 233 2HD PRO 31 2HD PRO 31 2.746 -6.580 1.879 Start of MODEL 5 1 1H GLY 0 1H GLY 0 -16.250 7.923 13.086 2 1HA GLY 0 1HA GLY 0 -15.116 5.656 12.961 3 2HA GLY 0 2HA GLY 0 -16.716 5.710 12.234 4 H HIS 1 H HIS 1 -13.891 4.385 11.733 5 HA HIS 1 HA HIS 1 -13.254 5.145 9.057 6 1HB HIS 1 1HB HIS 1 -12.460 2.792 10.771 7 2HB HIS 1 2HB HIS 1 -11.892 2.991 9.116 8 HD1 HIS 1 HD1 HIS 1 -10.950 3.727 12.480 9 HD2 HIS 1 HD2 HIS 1 -10.522 5.655 8.824 10 HE1 HIS 1 HE1 HIS 1 -9.089 5.387 12.808 11 H MET 2 H MET 2 -13.788 4.186 7.135 12 HA MET 2 HA MET 2 -16.037 2.300 7.241 13 1HB MET 2 1HB MET 2 -15.210 4.433 5.327 14 2HB MET 2 2HB MET 2 -16.103 3.054 4.700 15 1HG MET 2 1HG MET 2 -17.744 3.573 6.648 16 2HG MET 2 2HG MET 2 -16.977 5.160 6.618 17 1HE MET 2 1HE MET 2 -18.053 7.116 4.939 18 2HE MET 2 2HE MET 2 -16.536 6.385 4.417 19 3HE MET 2 3HE MET 2 -17.838 6.641 3.253 20 H VAL 3 H VAL 3 -12.942 2.893 5.627 21 HA VAL 3 HA VAL 3 -13.011 0.193 4.493 22 HB VAL 3 HB VAL 3 -11.028 2.419 4.000 23 1HG1 VAL 3 1HG1 VAL 3 -10.524 -0.176 3.644 24 2HG1 VAL 3 2HG1 VAL 3 -11.359 0.151 2.125 25 3HG1 VAL 3 3HG1 VAL 3 -9.915 1.069 2.555 26 1HG2 VAL 3 1HG2 VAL 3 -12.437 1.932 1.667 27 2HG2 VAL 3 2HG2 VAL 3 -13.671 1.889 2.926 28 3HG2 VAL 3 3HG2 VAL 3 -12.643 3.312 2.746 29 H ILE 4 H ILE 4 -12.652 -0.926 6.467 30 HA ILE 4 HA ILE 4 -10.143 -0.458 7.867 31 HB ILE 4 HB ILE 4 -10.987 -2.486 9.234 32 1HG1 ILE 4 1HG1 ILE 4 -13.697 -1.677 8.273 33 2HG1 ILE 4 2HG1 ILE 4 -12.778 -2.826 7.306 34 1HG2 ILE 4 1HG2 ILE 4 -12.286 -1.051 10.646 35 2HG2 ILE 4 2HG2 ILE 4 -10.974 -0.103 9.948 36 3HG2 ILE 4 3HG2 ILE 4 -12.610 0.052 9.308 37 1HD1 ILE 4 1HD1 ILE 4 -13.807 -4.326 8.617 38 2HD1 ILE 4 2HD1 ILE 4 -12.508 -3.931 9.743 39 3HD1 ILE 4 3HD1 ILE 4 -14.085 -3.163 9.913 40 H GLY 5 H GLY 5 -9.468 -1.148 5.391 41 1HA GLY 5 1HA GLY 5 -8.728 -4.003 5.592 42 2HA GLY 5 2HA GLY 5 -9.038 -3.191 4.064 43 H THR 6 H THR 6 -7.593 -0.774 5.280 44 HA THR 6 HA THR 6 -5.238 -0.841 3.983 45 HB THR 6 HB THR 6 -4.301 0.724 5.673 46 HG1 THR 6 1HG THR 6 -5.852 -0.527 7.329 47 1HG2 THR 6 1HG2 THR 6 -6.746 1.020 4.179 48 2HG2 THR 6 2HG2 THR 6 -5.461 2.195 4.464 49 3HG2 THR 6 3HG2 THR 6 -6.779 2.031 5.623 50 H TRP 7 H TRP 7 -3.212 -1.659 4.213 51 HA TRP 7 HA TRP 7 -2.858 -3.671 6.319 52 1HB TRP 7 1HB TRP 7 -0.876 -4.339 4.789 53 2HB TRP 7 2HB TRP 7 -2.514 -4.710 4.255 54 HD1 TRP 7 1HD TRP 7 -3.574 -2.836 2.444 55 HE1 TRP 7 1HE TRP 7 -2.365 -1.651 0.505 56 HE3 TRP 7 3HE TRP 7 1.257 -3.476 3.989 57 HZ2 TRP 7 2HZ TRP 7 0.286 -1.066 -0.267 58 HZ3 TRP 7 3HZ TRP 7 3.071 -2.574 2.592 59 HH2 TRP 7 2HH TRP 7 2.594 -1.394 0.509 60 H ASP 8 H ASP 8 -1.191 -3.604 7.750 61 HA ASP 8 HA ASP 8 0.237 -1.077 7.956 62 1HB ASP 8 1HB ASP 8 0.534 -3.338 9.906 63 2HB ASP 8 2HB ASP 8 0.622 -1.602 10.195 64 H CYS 9 H CYS 9 2.433 -0.830 7.856 65 HA CYS 9 HA CYS 9 3.879 -2.840 6.389 66 1HB CYS 9 1HB CYS 9 4.070 -0.317 6.066 67 2HB CYS 9 2HB CYS 9 5.018 -0.299 7.549 68 H ASP 10 H ASP 10 5.824 -3.845 7.044 69 HA ASP 10 HA ASP 10 6.133 -4.052 9.967 70 1HB ASP 10 1HB ASP 10 5.299 -6.085 8.538 71 2HB ASP 10 2HB ASP 10 7.000 -6.233 8.103 72 H THR 11 H THR 11 7.473 -2.386 7.748 73 HA THR 11 HA THR 11 10.235 -3.018 8.558 74 HB THR 11 HB THR 11 9.193 -2.326 5.827 75 HG1 THR 11 1HG THR 11 9.596 -4.525 6.374 76 1HG2 THR 11 1HG2 THR 11 10.892 -0.673 6.160 77 2HG2 THR 11 2HG2 THR 11 11.587 -1.955 5.166 78 3HG2 THR 11 3HG3 THR 11 11.980 -1.856 6.883 79 H CYS 12 H CYS 12 8.115 -0.479 7.241 80 HA CYS 12 HA CYS 12 9.775 1.520 8.625 81 1HB CYS 12 1HB CYS 12 9.311 3.049 6.966 82 2HB CYS 12 2HB CYS 12 9.274 1.556 6.035 83 H LEU 13 H LEU 13 7.011 -0.187 9.021 84 HA LEU 13 HA LEU 13 5.141 0.037 10.297 85 1HB LEU 13 1HB LEU 13 6.356 2.426 11.616 86 2HB LEU 13 2HB LEU 13 5.363 1.151 12.317 87 HG LEU 13 HG LEU 13 8.146 0.596 11.340 88 1HD1 LEU 13 1HD1 LEU 13 8.969 1.934 12.914 89 2HD1 LEU 13 2HD1 LEU 13 8.283 0.822 14.098 90 3HD1 LEU 13 3HD1 LEU 13 7.369 2.242 13.591 91 1HD2 LEU 13 1HD2 LEU 13 7.974 -1.175 13.081 92 2HD2 LEU 13 2HD2 LEU 13 6.810 -1.346 11.768 93 3HD2 LEU 13 3HD2 LEU 13 6.291 -0.706 13.328 94 H VAL 14 H VAL 14 3.726 0.662 8.668 95 HA VAL 14 HA VAL 14 2.474 3.179 9.006 96 HB VAL 14 HB VAL 14 4.641 3.191 7.176 97 1HG1 VAL 14 1HG1 VAL 14 3.559 3.855 5.102 98 2HG1 VAL 14 2HG1 VAL 14 3.095 2.211 5.541 99 3HG1 VAL 14 3HG1 VAL 14 1.975 3.546 5.811 100 1HG2 VAL 14 1HG2 VAL 14 2.648 5.377 7.121 101 2HG2 VAL 14 2HG2 VAL 14 3.348 4.979 8.691 102 3HG2 VAL 14 3HG2 VAL 14 4.395 5.439 7.349 103 H GLN 15 H GLN 15 0.414 3.093 8.292 104 HA GLN 15 HA GLN 15 -0.472 0.621 7.070 105 1HB GLN 15 1HB GLN 15 -2.004 3.014 8.097 106 2HB GLN 15 2HB GLN 15 -2.751 1.555 7.461 107 1HG GLN 15 1HG GLN 15 -2.101 0.273 9.271 108 2HG GLN 15 2HG GLN 15 -0.807 1.384 9.720 109 1HE2 GLN 15 2HE2 GLN 15 -3.379 0.214 10.992 110 2HE2 GLN 15 1HE2 GLN 15 -4.082 1.589 11.766 111 H ASN 16 H ASN 16 -1.565 0.433 5.118 112 HA ASN 16 HA ASN 16 -1.714 2.801 3.405 113 1HB ASN 16 1HB ASN 16 -0.635 0.290 2.196 114 2HB ASN 16 2HB ASN 16 -0.392 1.964 1.704 115 1HD2 ASN 16 2HD2 ASN 16 0.198 -0.022 4.591 116 2HD2 ASN 16 1HD2 ASN 16 1.821 0.518 4.835 117 H LYS 17 H LYS 17 -3.261 2.686 1.769 118 HA LYS 17 HA LYS 17 -5.559 1.191 2.308 119 1HB LYS 17 1HB LYS 17 -6.506 2.205 0.437 120 2HB LYS 17 2HB LYS 17 -5.260 3.351 0.912 121 1HG LYS 17 1HG LYS 17 -3.825 2.656 -0.839 122 2HG LYS 17 2HG LYS 17 -4.836 1.254 -1.198 123 1HD LYS 17 1HD LYS 17 -5.222 2.963 -2.858 124 2HD LYS 17 2HD LYS 17 -6.664 2.791 -1.854 125 1HE LYS 17 1HE LYS 17 -5.941 4.740 -0.531 126 2HE LYS 17 2HE LYS 17 -4.545 4.923 -1.592 127 1HZ LYS 17 1HZ LYS 17 -6.616 6.332 -2.046 128 2HZ LYS 17 2HZ LYS 17 -7.283 4.918 -2.690 129 3HZ LYS 17 3HZ LYS 17 -5.872 5.568 -3.360 130 HA PRO 18 HA PRO 18 -4.751 -2.750 0.525 131 1HB PRO 18 1HB PRO 18 -7.302 -3.547 0.047 132 2HB PRO 18 2HB PRO 18 -6.604 -3.482 1.670 133 1HG PRO 18 1HG PRO 18 -8.392 -1.512 0.298 134 2HG PRO 18 2HG PRO 18 -8.451 -2.103 1.969 135 1HD PRO 18 1HD PRO 18 -7.380 0.295 1.309 136 2HD PRO 18 2HD PRO 18 -6.777 -0.680 2.665 137 H GLU 19 H GLU 19 -6.149 -0.170 -1.185 138 HA GLU 19 HA GLU 19 -6.472 -1.631 -3.673 139 1HB GLU 19 1HB GLU 19 -6.581 1.357 -3.442 140 2HB GLU 19 2HB GLU 19 -7.447 0.300 -4.549 141 1HG GLU 19 1HG GLU 19 -7.962 0.612 -1.600 142 2HG GLU 19 2HG GLU 19 -8.960 1.227 -2.915 143 H ALA 20 H ALA 20 -3.932 -0.278 -2.009 144 HA ALA 20 HA ALA 20 -2.476 0.699 -4.321 145 1HB ALA 20 1HB ALA 20 -1.650 0.418 -1.434 146 2HB ALA 20 2HB ALA 20 -0.677 1.166 -2.701 147 3HB ALA 20 3HB ALA 20 -2.215 1.887 -2.230 148 H ILE 21 H ILE 21 -0.107 -0.076 -4.473 149 HA ILE 21 HA ILE 21 -0.117 -3.022 -4.412 150 HB ILE 21 HB ILE 21 1.364 -1.179 -6.292 151 1HG1 ILE 21 1HG1 ILE 21 -0.118 -2.529 -7.959 152 2HG1 ILE 21 2HG1 ILE 21 -1.107 -2.869 -6.543 153 1HG2 ILE 21 1HG2 ILE 21 2.757 -3.046 -5.974 154 2HG2 ILE 21 2HG2 ILE 21 1.394 -4.164 -5.964 155 3HG2 ILE 21 3HG2 ILE 21 1.875 -3.375 -7.465 156 1HD1 ILE 21 1HD1 ILE 21 -0.368 -0.056 -7.198 157 2HD1 ILE 21 2HD1 ILE 21 -1.681 -0.858 -8.063 158 3HD1 ILE 21 3HD1 ILE 21 -1.760 -0.675 -6.311 159 H LYS 22 H LYS 22 1.479 -0.171 -3.362 160 HA LYS 22 HA LYS 22 3.425 -1.794 -1.915 161 1HB LYS 22 1HB LYS 22 5.231 -0.117 -2.529 162 2HB LYS 22 2HB LYS 22 4.746 -1.233 -3.799 163 1HG LYS 22 1HG LYS 22 4.820 0.741 -4.951 164 2HG LYS 22 2HG LYS 22 3.121 0.699 -4.473 165 1HD LYS 22 1HD LYS 22 3.583 2.169 -2.600 166 2HD LYS 22 2HD LYS 22 5.307 2.153 -2.983 167 1HE LYS 22 1HE LYS 22 4.526 3.026 -5.303 168 2HE LYS 22 2HE LYS 22 3.048 3.460 -4.447 169 1HZ LYS 22 1HZ LYS 22 5.546 4.787 -4.465 170 2HZ LYS 22 2HZ LYS 22 5.142 4.355 -2.881 171 3HZ LYS 22 3HZ LYS 22 4.077 5.295 -3.799 172 H CYS 23 H CYS 23 4.797 -0.183 -0.477 173 HA CYS 23 HA CYS 23 2.919 1.114 1.230 174 1HB CYS 23 1HB CYS 23 5.246 -0.035 1.743 175 2HB CYS 23 2HB CYS 23 5.856 1.597 1.486 176 H VAL 24 H VAL 24 2.891 3.336 1.845 177 HA VAL 24 HA VAL 24 3.594 5.121 -0.377 178 HB VAL 24 HB VAL 24 1.216 5.056 0.331 179 1HG1 VAL 24 1HG1 VAL 24 1.151 6.626 2.603 180 2HG1 VAL 24 2HG1 VAL 24 0.816 4.896 2.520 181 3HG1 VAL 24 3HG1 VAL 24 2.434 5.463 2.935 182 1HG2 VAL 24 1HG2 VAL 24 0.918 7.257 -0.128 183 2HG2 VAL 24 2HG2 VAL 24 2.090 7.783 1.079 184 3HG2 VAL 24 2HG3 VAL 24 2.645 7.167 -0.477 185 H ALA 25 H ALA 25 5.248 4.121 2.043 186 HA ALA 25 HA ALA 25 6.273 6.784 2.761 187 1HB ALA 25 1HB ALA 25 6.377 4.548 4.742 188 2HB ALA 25 2HB ALA 25 6.450 6.291 5.011 189 3HB ALA 25 3HB ALA 25 4.918 5.528 4.584 190 H CYS 26 H CYS 26 6.982 3.303 2.661 191 HA CYS 26 HA CYS 26 9.817 3.966 2.218 192 1HB CYS 26 1HB CYS 26 10.406 1.850 3.131 193 2HB CYS 26 2HB CYS 26 9.201 2.533 4.219 194 H GLU 27 H GLU 27 7.034 2.920 0.680 195 HA GLU 27 HA GLU 27 6.613 2.157 -1.423 196 1HB GLU 27 1HB GLU 27 9.538 2.248 -2.077 197 2HB GLU 27 2HB GLU 27 8.159 2.569 -3.120 198 1HG GLU 27 1HG GLU 27 7.775 4.680 -2.097 199 2HG GLU 27 2HG GLU 27 8.948 4.342 -0.825 200 H THR 28 H THR 28 6.843 0.266 0.540 201 HA THR 28 HA THR 28 8.575 -1.870 -0.367 202 HB THR 28 HB THR 28 6.971 -1.332 2.022 203 HG1 THR 28 1HG THR 28 9.270 -2.911 1.430 204 1HG2 THR 28 1HG2 THR 28 6.972 -4.072 0.780 205 2HG2 THR 28 2HG2 THR 28 5.612 -3.159 1.435 206 3HG2 THR 28 3HG2 THR 28 6.823 -3.837 2.521 207 HA PRO 29 HA PRO 29 5.681 -3.809 -3.060 208 1HB PRO 29 1HB PRO 29 6.638 -6.347 -2.971 209 2HB PRO 29 2HB PRO 29 7.456 -5.043 -3.837 210 1HG PRO 29 1HG PRO 29 8.031 -6.168 -1.124 211 2HG PRO 29 2HG PRO 29 9.164 -5.716 -2.410 212 1HD PRO 29 1HD PRO 29 8.673 -4.123 -0.277 213 2HD PRO 29 2HD PRO 29 9.068 -3.475 -1.882 214 H LYS 30 H LYS 30 3.645 -3.984 -2.315 215 HA LYS 30 HA LYS 30 2.779 -5.035 0.083 216 1HB LYS 30 1HB LYS 30 1.277 -3.730 -1.237 217 2HB LYS 30 2HB LYS 30 1.385 -4.853 -2.585 218 1HG LYS 30 1HG LYS 30 0.415 -6.551 -0.835 219 2HG LYS 30 2HG LYS 30 -0.148 -5.075 -0.047 220 1HD LYS 30 1HD LYS 30 -0.631 -5.138 -2.932 221 2HD LYS 30 2HD LYS 30 -1.467 -6.412 -2.040 222 1HE LYS 30 1HE LYS 30 -2.371 -4.688 -0.512 223 2HE LYS 30 2HE LYS 30 -1.605 -3.447 -1.502 224 1HZ LYS 30 1HZ LYS 30 -3.549 -3.438 -2.576 225 2HZ LYS 30 2HZ LYS 30 -4.019 -4.950 -1.980 226 3HZ LYS 30 3HZ LYS 30 -2.997 -4.851 -3.324 227 HA PRO 31 HA PRO 31 3.280 -9.397 -0.237 228 1HB PRO 31 1HB PRO 31 1.430 -10.175 1.590 229 2HB PRO 31 2HB PRO 31 2.977 -9.448 2.039 230 1HG PRO 31 1HG PRO 31 0.273 -8.178 1.838 231 2HG PRO 31 2HG PRO 31 1.515 -7.974 3.087 232 1HD PRO 31 1HD PRO 31 1.136 -6.172 1.102 233 2HD PRO 31 2HD PRO 31 2.732 -6.488 1.813 Start of MODEL 6 1 1H GLY 0 1H GLY 0 -17.389 10.135 5.642 2 1HA GLY 0 1HA GLY 0 -19.632 8.215 5.682 3 2HA GLY 0 2HA GLY 0 -18.442 8.193 4.387 4 H HIS 1 H HIS 1 -18.732 5.889 5.629 5 HA HIS 1 HA HIS 1 -17.338 5.419 7.992 6 1HB HIS 1 1HB HIS 1 -17.253 3.104 7.329 7 2HB HIS 1 2HB HIS 1 -18.797 3.772 6.806 8 HD1 HIS 1 HD1 HIS 1 -16.081 1.777 5.611 9 HD2 HIS 1 HD2 HIS 1 -18.640 4.579 3.917 10 HE1 HIS 1 HE1 HIS 1 -15.961 1.384 3.130 11 H MET 2 H MET 2 -15.259 4.131 8.138 12 HA MET 2 HA MET 2 -13.252 5.370 6.377 13 1HB MET 2 1HB MET 2 -12.976 4.392 9.224 14 2HB MET 2 2HB MET 2 -11.660 5.034 8.250 15 1HG MET 2 1HG MET 2 -14.123 6.657 8.724 16 2HG MET 2 2HG MET 2 -12.857 6.567 9.945 17 1HE MET 2 1HE MET 2 -10.789 9.430 9.033 18 2HE MET 2 2HE MET 2 -12.387 9.333 9.773 19 3HE MET 2 3HE MET 2 -11.164 8.120 10.154 20 H VAL 3 H VAL 3 -11.361 4.104 5.846 21 HA VAL 3 HA VAL 3 -12.060 1.348 5.280 22 HB VAL 3 HB VAL 3 -9.554 2.869 4.552 23 1HG1 VAL 3 1HG1 VAL 3 -10.471 0.575 2.946 24 2HG1 VAL 3 2HG1 VAL 3 -8.839 1.065 3.399 25 3HG1 VAL 3 3HG1 VAL 3 -9.850 0.191 4.550 26 1HG2 VAL 3 1HG2 VAL 3 -10.575 3.695 2.723 27 2HG2 VAL 3 2HG2 VAL 3 -11.549 2.245 2.482 28 3HG2 VAL 3 3HG2 VAL 3 -12.044 3.454 3.668 29 H ILE 4 H ILE 4 -11.357 -0.382 6.358 30 HA ILE 4 HA ILE 4 -9.256 0.014 8.383 31 HB ILE 4 HB ILE 4 -11.643 -1.814 8.351 32 1HG1 ILE 4 1HG1 ILE 4 -12.034 0.388 9.278 33 2HG1 ILE 4 2HG1 ILE 4 -12.009 -0.785 10.589 34 1HG2 ILE 4 1HG2 ILE 4 -9.111 -2.053 9.936 35 2HG2 ILE 4 2HG2 ILE 4 -10.644 -2.659 10.562 36 3HG2 ILE 4 3HG2 ILE 4 -9.991 -3.301 9.054 37 1HD1 ILE 4 1HD1 ILE 4 -10.274 1.496 10.078 38 2HD1 ILE 4 2HD1 ILE 4 -10.628 0.648 11.583 39 3HD1 ILE 4 3HD1 ILE 4 -9.403 0.017 10.483 40 H GLY 5 H GLY 5 -10.175 -1.721 5.564 41 1HA GLY 5 1HA GLY 5 -8.719 -4.082 5.809 42 2HA GLY 5 2HA GLY 5 -9.067 -3.272 4.288 43 H THR 6 H THR 6 -7.600 -0.842 5.296 44 HA THR 6 HA THR 6 -5.271 -0.963 3.989 45 HB THR 6 HB THR 6 -4.290 0.650 5.623 46 HG1 THR 6 1HG THR 6 -6.375 -0.356 7.155 47 1HG2 THR 6 1HG2 THR 6 -6.736 2.000 5.521 48 2HG2 THR 6 2HG2 THR 6 -6.745 0.916 4.129 49 3HG2 THR 6 3HG2 THR 6 -5.431 2.073 4.339 50 H TRP 7 H TRP 7 -3.208 -1.715 4.239 51 HA TRP 7 HA TRP 7 -2.823 -3.691 6.374 52 1HB TRP 7 1HB TRP 7 -0.834 -4.353 4.849 53 2HB TRP 7 2HB TRP 7 -2.466 -4.761 4.329 54 HD1 TRP 7 1HD TRP 7 -3.569 -2.876 2.524 55 HE1 TRP 7 1HE TRP 7 -2.387 -1.727 0.546 56 HE3 TRP 7 3HE TRP 7 1.286 -3.552 3.976 57 HZ2 TRP 7 2HZ TRP 7 0.253 -1.181 -0.288 58 HZ3 TRP 7 3HZ TRP 7 3.080 -2.687 2.532 59 HH2 TRP 7 2HH TRP 7 2.572 -1.527 0.444 60 H ASP 8 H ASP 8 -1.164 -3.571 7.808 61 HA ASP 8 HA ASP 8 0.280 -1.036 7.906 62 1HB ASP 8 1HB ASP 8 0.342 -3.200 10.003 63 2HB ASP 8 2HB ASP 8 0.677 -1.482 10.197 64 H CYS 9 H CYS 9 2.383 -0.836 7.472 65 HA CYS 9 HA CYS 9 3.850 -2.873 6.237 66 1HB CYS 9 1HB CYS 9 4.177 -0.288 6.206 67 2HB CYS 9 2HB CYS 9 5.194 -0.570 7.617 68 H ASP 10 H ASP 10 6.144 -3.463 7.052 69 HA ASP 10 HA ASP 10 6.121 -4.059 9.924 70 1HB ASP 10 1HB ASP 10 5.282 -5.999 8.406 71 2HB ASP 10 2HB ASP 10 6.979 -6.169 7.966 72 H THR 11 H THR 11 7.625 -2.386 7.772 73 HA THR 11 HA THR 11 10.304 -3.044 8.794 74 HB THR 11 HB THR 11 9.466 -3.169 6.065 75 HG1 THR 11 1HG THR 11 10.953 -4.614 6.752 76 1HG2 THR 11 1HG2 THR 11 11.191 -1.722 5.052 77 2HG2 THR 11 2HG2 THR 11 11.538 -1.049 6.645 78 3HG2 THR 11 3HG3 THR 11 9.957 -0.796 5.906 79 H CYS 12 H CYS 12 8.111 -0.613 7.501 80 HA CYS 12 HA CYS 12 9.827 1.477 8.672 81 1HB CYS 12 1HB CYS 12 9.330 2.913 6.946 82 2HB CYS 12 2HB CYS 12 9.267 1.376 6.090 83 H LEU 13 H LEU 13 6.970 -0.190 9.035 84 HA LEU 13 HA LEU 13 5.138 0.074 10.355 85 1HB LEU 13 1HB LEU 13 7.105 1.968 11.532 86 2HB LEU 13 2HB LEU 13 5.430 2.066 12.072 87 HG LEU 13 HG LEU 13 5.625 -0.418 12.608 88 1HD1 LEU 13 1HD1 LEU 13 7.662 -1.467 12.668 89 2HD1 LEU 13 2HD1 LEU 13 8.564 0.046 12.764 90 3HD1 LEU 13 3HD1 LEU 13 7.854 -0.460 11.232 91 1HD2 LEU 13 1HD2 LEU 13 6.114 1.844 14.087 92 2HD2 LEU 13 2HD2 LEU 13 7.541 0.857 14.400 93 3HD2 LEU 13 3HD2 LEU 13 5.932 0.212 14.730 94 H VAL 14 H VAL 14 4.053 0.754 8.363 95 HA VAL 14 HA VAL 14 2.764 3.316 8.743 96 HB VAL 14 HB VAL 14 4.391 2.733 6.272 97 1HG1 VAL 14 1HG1 VAL 14 1.867 4.055 6.448 98 2HG1 VAL 14 2HG1 VAL 14 3.114 5.238 6.048 99 3HG1 VAL 14 3HG1 VAL 14 2.896 3.810 5.036 100 1HG2 VAL 14 1HG2 VAL 14 5.601 3.806 8.087 101 2HG2 VAL 14 2HG2 VAL 14 5.371 4.933 6.750 102 3HG2 VAL 14 3HG2 VAL 14 4.365 5.059 8.193 103 H GLN 15 H GLN 15 0.671 3.189 8.215 104 HA GLN 15 HA GLN 15 -0.329 0.724 7.081 105 1HB GLN 15 1HB GLN 15 -1.684 3.178 8.197 106 2HB GLN 15 2HB GLN 15 -2.574 1.834 7.493 107 1HG GLN 15 1HG GLN 15 -2.645 1.261 9.695 108 2HG GLN 15 2HG GLN 15 -1.174 0.424 9.202 109 1HE2 GLN 15 2HE2 GLN 15 0.686 0.902 10.189 110 2HE2 GLN 15 1HE2 GLN 15 0.896 2.163 11.350 111 H ASN 16 H ASN 16 -1.545 0.521 5.196 112 HA ASN 16 HA ASN 16 -1.723 2.838 3.424 113 1HB ASN 16 1HB ASN 16 -0.712 0.296 2.224 114 2HB ASN 16 2HB ASN 16 -0.468 1.959 1.697 115 1HD2 ASN 16 2HD2 ASN 16 0.262 -0.116 4.482 116 2HD2 ASN 16 1HD2 ASN 16 1.878 0.456 4.699 117 H LYS 17 H LYS 17 -3.168 2.506 1.611 118 HA LYS 17 HA LYS 17 -5.499 1.046 2.358 119 1HB LYS 17 1HB LYS 17 -6.543 2.041 0.514 120 2HB LYS 17 2HB LYS 17 -5.346 3.231 1.008 121 1HG LYS 17 1HG LYS 17 -3.921 2.694 -0.790 122 2HG LYS 17 2HG LYS 17 -4.824 1.225 -1.164 123 1HD LYS 17 1HD LYS 17 -5.341 2.972 -2.773 124 2HD LYS 17 2HD LYS 17 -6.763 2.594 -1.797 125 1HE LYS 17 1HE LYS 17 -6.401 4.551 -0.434 126 2HE LYS 17 2HE LYS 17 -4.886 4.895 -1.268 127 1HZ LYS 17 1HZ LYS 17 -7.602 5.448 -2.077 128 2HZ LYS 17 2HZ LYS 17 -6.636 4.794 -3.302 129 3HZ LYS 17 3HZ LYS 17 -6.161 6.218 -2.520 130 HA PRO 18 HA PRO 18 -4.735 -2.844 0.457 131 1HB PRO 18 1HB PRO 18 -7.287 -3.626 -0.038 132 2HB PRO 18 2HB PRO 18 -6.588 -3.599 1.586 133 1HG PRO 18 1HG PRO 18 -8.375 -1.597 0.260 134 2HG PRO 18 2HG PRO 18 -8.434 -2.225 1.917 135 1HD PRO 18 1HD PRO 18 -7.360 0.185 1.311 136 2HD PRO 18 2HD PRO 18 -6.758 -0.821 2.644 137 H GLU 19 H GLU 19 -6.145 -0.228 -1.194 138 HA GLU 19 HA GLU 19 -6.460 -1.633 -3.714 139 1HB GLU 19 1HB GLU 19 -6.563 1.342 -3.518 140 2HB GLU 19 2HB GLU 19 -7.525 0.254 -4.508 141 1HG GLU 19 1HG GLU 19 -8.678 -0.496 -2.426 142 2HG GLU 19 2HG GLU 19 -7.816 0.776 -1.561 143 H ALA 20 H ALA 20 -3.926 -0.315 -2.021 144 HA ALA 20 HA ALA 20 -2.475 0.727 -4.309 145 1HB ALA 20 1HB ALA 20 -1.594 0.358 -1.448 146 2HB ALA 20 2HB ALA 20 -0.699 1.212 -2.705 147 3HB ALA 20 3HB ALA 20 -2.251 1.838 -2.148 148 H ILE 21 H ILE 21 -0.100 -0.033 -4.474 149 HA ILE 21 HA ILE 21 -0.091 -2.982 -4.466 150 HB ILE 21 HB ILE 21 1.301 -1.082 -6.356 151 1HG1 ILE 21 1HG1 ILE 21 -0.729 -3.207 -7.025 152 2HG1 ILE 21 2HG1 ILE 21 -1.208 -1.567 -6.603 153 1HG2 ILE 21 1HG2 ILE 21 1.471 -4.072 -6.080 154 2HG2 ILE 21 2HG2 ILE 21 1.956 -3.208 -7.538 155 3HG2 ILE 21 3HG2 ILE 21 2.784 -2.898 -6.013 156 1HD1 ILE 21 1HD1 ILE 21 0.678 -1.130 -8.520 157 2HD1 ILE 21 2HD1 ILE 21 -0.090 -2.617 -9.079 158 3HD1 ILE 21 3HD1 ILE 21 -1.064 -1.176 -8.788 159 H LYS 22 H LYS 22 1.363 -0.205 -3.204 160 HA LYS 22 HA LYS 22 3.379 -1.802 -1.871 161 1HB LYS 22 1HB LYS 22 5.213 -0.227 -2.481 162 2HB LYS 22 2HB LYS 22 4.617 -1.177 -3.836 163 1HG LYS 22 1HG LYS 22 3.182 0.805 -4.441 164 2HG LYS 22 2HG LYS 22 4.092 1.720 -3.237 165 1HD LYS 22 1HD LYS 22 5.005 2.040 -5.486 166 2HD LYS 22 2HD LYS 22 6.168 1.240 -4.426 167 1HE LYS 22 1HE LYS 22 5.887 0.320 -6.798 168 2HE LYS 22 2HE LYS 22 5.863 -0.832 -5.463 169 1HZ LYS 22 1HZ LYS 22 3.332 0.301 -6.440 170 2HZ LYS 22 2HZ LYS 22 3.620 -1.188 -5.692 171 3HZ LYS 22 3HZ LYS 22 4.067 -0.953 -7.306 172 H CYS 23 H CYS 23 4.793 -0.110 -0.492 173 HA CYS 23 HA CYS 23 2.900 1.141 1.256 174 1HB CYS 23 1HB CYS 23 5.232 -0.016 1.753 175 2HB CYS 23 2HB CYS 23 5.836 1.622 1.520 176 H VAL 24 H VAL 24 2.815 3.350 1.842 177 HA VAL 24 HA VAL 24 3.548 5.146 -0.358 178 HB VAL 24 HB VAL 24 1.159 5.037 0.406 179 1HG1 VAL 24 1HG1 VAL 24 2.063 4.989 2.898 180 2HG1 VAL 24 2HG1 VAL 24 1.848 6.733 2.743 181 3HG1 VAL 24 3HG1 VAL 24 0.480 5.649 2.492 182 1HG2 VAL 24 1HG2 VAL 24 2.207 7.794 0.902 183 2HG2 VAL 24 2HG2 VAL 24 2.400 7.046 -0.682 184 3HG2 VAL 24 2HG3 VAL 24 0.787 7.283 -0.010 185 H ALA 25 H ALA 25 5.289 4.156 1.938 186 HA ALA 25 HA ALA 25 6.290 6.809 2.694 187 1HB ALA 25 1HB ALA 25 6.819 5.905 4.968 188 2HB ALA 25 2HB ALA 25 5.099 6.116 4.636 189 3HB ALA 25 3HB ALA 25 5.819 4.506 4.575 190 H CYS 26 H CYS 26 6.961 3.320 2.625 191 HA CYS 26 HA CYS 26 9.806 3.948 2.195 192 1HB CYS 26 1HB CYS 26 10.370 1.846 3.136 193 2HB CYS 26 2HB CYS 26 9.140 2.526 4.197 194 H GLU 27 H GLU 27 7.010 2.872 0.670 195 HA GLU 27 HA GLU 27 6.611 2.163 -1.459 196 1HB GLU 27 1HB GLU 27 9.578 2.164 -1.969 197 2HB GLU 27 2HB GLU 27 8.273 2.375 -3.128 198 1HG GLU 27 1HG GLU 27 8.908 4.532 -2.946 199 2HG GLU 27 2HG GLU 27 7.775 4.484 -1.596 200 H THR 28 H THR 28 6.945 0.326 0.681 201 HA THR 28 HA THR 28 8.517 -1.908 -0.158 202 HB THR 28 HB THR 28 6.770 -1.273 2.100 203 HG1 THR 28 1HG THR 28 8.793 -3.239 2.050 204 1HG2 THR 28 1HG2 THR 28 5.383 -3.055 1.396 205 2HG2 THR 28 2HG2 THR 28 6.443 -3.740 2.629 206 3HG2 THR 28 3HG2 THR 28 6.763 -4.043 0.922 207 HA PRO 29 HA PRO 29 5.761 -3.785 -3.032 208 1HB PRO 29 1HB PRO 29 6.608 -6.356 -2.835 209 2HB PRO 29 2HB PRO 29 7.540 -5.098 -3.655 210 1HG PRO 29 1HG PRO 29 7.866 -6.197 -0.890 211 2HG PRO 29 2HG PRO 29 9.109 -5.810 -2.094 212 1HD PRO 29 1HD PRO 29 8.521 -4.164 -0.026 213 2HD PRO 29 2HD PRO 29 9.060 -3.559 -1.606 214 H LYS 30 H LYS 30 3.668 -3.889 -2.460 215 HA LYS 30 HA LYS 30 2.551 -4.807 -0.128 216 1HB LYS 30 1HB LYS 30 1.210 -3.582 -1.685 217 2HB LYS 30 2HB LYS 30 1.430 -4.803 -2.930 218 1HG LYS 30 1HG LYS 30 0.257 -6.370 -1.210 219 2HG LYS 30 2HG LYS 30 -0.319 -4.852 -0.517 220 1HD LYS 30 1HD LYS 30 -0.766 -4.514 -3.211 221 2HD LYS 30 2HD LYS 30 -1.127 -6.223 -2.962 222 1HE LYS 30 1HE LYS 30 -2.776 -5.734 -1.340 223 2HE LYS 30 2HE LYS 30 -2.248 -4.058 -1.201 224 1HZ LYS 30 1HZ LYS 30 -3.600 -3.477 -2.839 225 2HZ LYS 30 2HZ LYS 30 -4.246 -5.041 -2.825 226 3HZ LYS 30 3HZ LYS 30 -2.974 -4.659 -3.874 227 HA PRO 31 HA PRO 31 3.033 -9.184 -0.115 228 1HB PRO 31 1HB PRO 31 1.004 -9.831 1.567 229 2HB PRO 31 2HB PRO 31 2.507 -9.083 2.119 230 1HG PRO 31 1HG PRO 31 -0.148 -7.815 1.570 231 2HG PRO 31 2HG PRO 31 0.967 -7.535 2.921 232 1HD PRO 31 1HD PRO 31 0.805 -5.866 0.794 233 2HD PRO 31 2HD PRO 31 2.320 -6.142 1.678 Start of MODEL 7 1 1H GLY 0 1H GLY 0 -17.901 4.674 2.140 2 1HA GLY 0 1HA GLY 0 -19.831 6.679 1.484 3 2HA GLY 0 2HA GLY 0 -19.946 6.199 3.171 4 H HIS 1 H HIS 1 -17.770 6.178 4.345 5 HA HIS 1 HA HIS 1 -16.158 8.481 3.461 6 1HB HIS 1 1HB HIS 1 -17.092 7.801 6.254 7 2HB HIS 1 2HB HIS 1 -15.853 9.004 5.905 8 HD1 HIS 1 HD1 HIS 1 -16.763 11.290 5.910 9 HD2 HIS 1 HD2 HIS 1 -19.578 8.524 4.609 10 HE1 HIS 1 HE1 HIS 1 -18.843 12.620 5.431 11 H MET 2 H MET 2 -16.257 5.289 4.780 12 HA MET 2 HA MET 2 -13.314 5.217 4.739 13 1HB MET 2 1HB MET 2 -13.521 3.455 6.564 14 2HB MET 2 2HB MET 2 -13.837 5.117 7.041 15 1HG MET 2 1HG MET 2 -16.065 3.284 6.250 16 2HG MET 2 2HG MET 2 -15.403 3.272 7.883 17 1HE MET 2 1HE MET 2 -18.969 5.241 7.560 18 2HE MET 2 2HE MET 2 -18.388 4.614 6.018 19 3HE MET 2 3HE MET 2 -18.290 3.615 7.469 20 H VAL 3 H VAL 3 -12.477 2.933 4.530 21 HA VAL 3 HA VAL 3 -14.199 1.428 2.669 22 HB VAL 3 HB VAL 3 -11.210 1.181 2.691 23 1HG1 VAL 3 1HG1 VAL 3 -12.579 -0.452 1.450 24 2HG1 VAL 3 2HG1 VAL 3 -13.255 0.869 0.495 25 3HG1 VAL 3 3HG1 VAL 3 -11.534 0.496 0.393 26 1HG2 VAL 3 1HG2 VAL 3 -11.811 3.595 2.496 27 2HG2 VAL 3 2HG2 VAL 3 -10.985 2.940 1.081 28 3HG2 VAL 3 3HG2 VAL 3 -12.729 3.196 1.044 29 H ILE 4 H ILE 4 -12.878 1.364 5.711 30 HA ILE 4 HA ILE 4 -12.491 -0.252 7.272 31 HB ILE 4 HB ILE 4 -14.261 -2.081 5.681 32 1HG1 ILE 4 1HG1 ILE 4 -15.077 0.354 7.273 33 2HG1 ILE 4 2HG1 ILE 4 -15.399 0.034 5.573 34 1HG2 ILE 4 1HG2 ILE 4 -14.639 -1.723 8.566 35 2HG2 ILE 4 2HG2 ILE 4 -14.539 -3.199 7.608 36 3HG2 ILE 4 3HG2 ILE 4 -13.064 -2.368 8.103 37 1HD1 ILE 4 1HD1 ILE 4 -16.758 -0.980 7.988 38 2HD1 ILE 4 2HD1 ILE 4 -17.414 -0.535 6.413 39 3HD1 ILE 4 3HD1 ILE 4 -16.609 -2.089 6.625 40 H GLY 5 H GLY 5 -10.578 -0.154 5.192 41 1HA GLY 5 1HA GLY 5 -9.486 -2.831 5.460 42 2HA GLY 5 2HA GLY 5 -9.828 -2.327 3.811 43 H THR 6 H THR 6 -7.315 -2.839 5.539 44 HA THR 6 HA THR 6 -5.598 -1.098 4.177 45 HB THR 6 HB THR 6 -4.826 0.043 6.470 46 HG1 THR 6 1HG THR 6 -6.400 -0.543 7.848 47 1HG2 THR 6 1HG2 THR 6 -6.197 0.854 4.133 48 2HG2 THR 6 2HG2 THR 6 -5.234 1.846 5.229 49 3HG2 THR 6 3HG2 THR 6 -6.967 1.665 5.496 50 H TRP 7 H TRP 7 -3.400 -1.513 4.603 51 HA TRP 7 HA TRP 7 -2.903 -3.714 6.498 52 1HB TRP 7 1HB TRP 7 -1.130 -4.470 4.842 53 2HB TRP 7 2HB TRP 7 -2.802 -4.709 4.344 54 HD1 TRP 7 1HD TRP 7 -3.771 -2.780 2.568 55 HE1 TRP 7 1HE TRP 7 -2.527 -1.611 0.642 56 HE3 TRP 7 3HE TRP 7 1.041 -3.655 4.058 57 HZ2 TRP 7 2HZ TRP 7 0.140 -1.125 -0.143 58 HZ3 TRP 7 3HZ TRP 7 2.880 -2.806 2.664 59 HH2 TRP 7 2HH TRP 7 2.438 -1.567 0.606 60 H ASP 8 H ASP 8 -1.159 -3.533 7.802 61 HA ASP 8 HA ASP 8 0.270 -0.997 7.749 62 1HB ASP 8 1HB ASP 8 0.771 -3.082 9.830 63 2HB ASP 8 2HB ASP 8 0.735 -1.327 9.988 64 H CYS 9 H CYS 9 2.577 -0.877 7.920 65 HA CYS 9 HA CYS 9 3.892 -2.821 6.236 66 1HB CYS 9 1HB CYS 9 4.218 -0.268 6.181 67 2HB CYS 9 2HB CYS 9 5.228 -0.496 7.606 68 H ASP 10 H ASP 10 6.099 -3.617 6.853 69 HA ASP 10 HA ASP 10 6.196 -4.311 9.715 70 1HB ASP 10 1HB ASP 10 5.484 -6.207 8.219 71 2HB ASP 10 2HB ASP 10 7.066 -6.113 7.450 72 H THR 11 H THR 11 7.678 -2.624 7.346 73 HA THR 11 HA THR 11 10.372 -3.107 8.441 74 HB THR 11 HB THR 11 9.488 -2.237 5.701 75 HG1 THR 11 1HG THR 11 9.867 -4.481 6.154 76 1HG2 THR 11 1HG2 THR 11 12.057 -1.644 7.106 77 2HG2 THR 11 2HG2 THR 11 11.140 -0.651 5.974 78 3HG2 THR 11 3HG3 THR 11 12.085 -2.017 5.383 79 H CYS 12 H CYS 12 8.388 -0.512 7.003 80 HA CYS 12 HA CYS 12 9.882 1.447 8.589 81 1HB CYS 12 1HB CYS 12 9.310 3.047 7.030 82 2HB CYS 12 2HB CYS 12 9.342 1.609 6.014 83 H LEU 13 H LEU 13 7.027 -0.310 8.686 84 HA LEU 13 HA LEU 13 5.198 -0.255 10.035 85 1HB LEU 13 1HB LEU 13 6.341 2.013 11.597 86 2HB LEU 13 2HB LEU 13 5.417 0.620 12.156 87 HG LEU 13 HG LEU 13 8.342 0.799 11.504 88 1HD1 LEU 13 1HD1 LEU 13 6.676 0.493 13.886 89 2HD1 LEU 13 2HD1 LEU 13 8.331 1.080 13.721 90 3HD1 LEU 13 3HD1 LEU 13 8.014 -0.654 13.789 91 1HD2 LEU 13 1HD2 LEU 13 8.242 -1.740 12.013 92 2HD2 LEU 13 2HD2 LEU 13 7.869 -1.173 10.385 93 3HD2 LEU 13 3HD2 LEU 13 6.564 -1.607 11.489 94 H VAL 14 H VAL 14 3.795 0.513 8.455 95 HA VAL 14 HA VAL 14 2.588 3.040 9.017 96 HB VAL 14 HB VAL 14 4.677 3.195 7.212 97 1HG1 VAL 14 1HG1 VAL 14 3.794 3.480 5.034 98 2HG1 VAL 14 2HG1 VAL 14 3.175 1.934 5.619 99 3HG1 VAL 14 3HG1 VAL 14 2.133 3.357 5.614 100 1HG2 VAL 14 1HG2 VAL 14 2.328 5.062 7.155 101 2HG2 VAL 14 2HG2 VAL 14 3.405 4.968 8.548 102 3HG2 VAL 14 3HG2 VAL 14 4.042 5.438 6.972 103 H GLN 15 H GLN 15 0.514 3.170 8.236 104 HA GLN 15 HA GLN 15 -0.556 0.715 7.112 105 1HB GLN 15 1HB GLN 15 -1.953 3.216 8.078 106 2HB GLN 15 2HB GLN 15 -2.757 1.735 7.573 107 1HG GLN 15 1HG GLN 15 -2.757 1.437 9.825 108 2HG GLN 15 2HG GLN 15 -1.226 0.664 9.418 109 1HE2 GLN 15 2HE2 GLN 15 -2.764 3.137 11.164 110 2HE2 GLN 15 1HE2 GLN 15 -1.349 3.883 11.818 111 H ASN 16 H ASN 16 -1.588 0.523 5.157 112 HA ASN 16 HA ASN 16 -1.727 2.879 3.425 113 1HB ASN 16 1HB ASN 16 -0.688 0.351 2.224 114 2HB ASN 16 2HB ASN 16 -0.413 2.020 1.734 115 1HD2 ASN 16 2HD2 ASN 16 0.124 0.060 4.648 116 2HD2 ASN 16 1HD2 ASN 16 1.763 0.553 4.881 117 H LYS 17 H LYS 17 -3.212 2.697 1.694 118 HA LYS 17 HA LYS 17 -5.552 1.254 2.287 119 1HB LYS 17 1HB LYS 17 -6.484 2.239 0.385 120 2HB LYS 17 2HB LYS 17 -5.255 3.397 0.879 121 1HG LYS 17 1HG LYS 17 -3.792 2.728 -0.849 122 2HG LYS 17 2HG LYS 17 -4.757 1.294 -1.208 123 1HD LYS 17 1HD LYS 17 -5.194 2.932 -2.900 124 2HD LYS 17 2HD LYS 17 -6.626 2.807 -1.876 125 1HE LYS 17 1HE LYS 17 -6.345 5.103 -2.138 126 2HE LYS 17 2HE LYS 17 -5.604 4.776 -0.573 127 1HZ LYS 17 1HZ LYS 17 -4.329 5.475 -3.122 128 2HZ LYS 17 2HZ LYS 17 -3.470 4.523 -2.018 129 3HZ LYS 17 3HZ LYS 17 -4.014 6.060 -1.565 130 HA PRO 18 HA PRO 18 -4.775 -2.713 0.548 131 1HB PRO 18 1HB PRO 18 -7.331 -3.488 0.062 132 2HB PRO 18 2HB PRO 18 -6.643 -3.414 1.688 133 1HG PRO 18 1HG PRO 18 -8.403 -1.441 0.285 134 2HG PRO 18 2HG PRO 18 -8.478 -2.013 1.962 135 1HD PRO 18 1HD PRO 18 -7.378 0.366 1.283 136 2HD PRO 18 2HD PRO 18 -6.794 -0.600 2.654 137 H GLU 19 H GLU 19 -6.147 -0.139 -1.199 138 HA GLU 19 HA GLU 19 -6.461 -1.624 -3.672 139 1HB GLU 19 1HB GLU 19 -6.544 1.364 -3.524 140 2HB GLU 19 2HB GLU 19 -7.460 0.275 -4.555 141 1HG GLU 19 1HG GLU 19 -7.876 0.723 -1.610 142 2HG GLU 19 2HG GLU 19 -8.907 1.297 -2.918 143 H ALA 20 H ALA 20 -3.923 -0.278 -2.007 144 HA ALA 20 HA ALA 20 -2.446 0.666 -4.321 145 1HB ALA 20 1HB ALA 20 -0.657 1.147 -2.697 146 2HB ALA 20 2HB ALA 20 -2.195 1.885 -2.247 147 3HB ALA 20 3HB ALA 20 -1.644 0.426 -1.425 148 H ILE 21 H ILE 21 -0.102 -0.125 -4.489 149 HA ILE 21 HA ILE 21 -0.119 -3.068 -4.369 150 HB ILE 21 HB ILE 21 1.348 -1.244 -6.276 151 1HG1 ILE 21 1HG1 ILE 21 -0.074 -2.582 -7.945 152 2HG1 ILE 21 2HG1 ILE 21 -1.024 -3.083 -6.550 153 1HG2 ILE 21 1HG2 ILE 21 2.840 -2.965 -6.147 154 2HG2 ILE 21 2HG2 ILE 21 1.613 -4.139 -5.675 155 3HG2 ILE 21 3HG2 ILE 21 1.740 -3.625 -7.357 156 1HD1 ILE 21 1HD1 ILE 21 -2.206 -1.228 -6.713 157 2HD1 ILE 21 2HD1 ILE 21 -0.750 -0.275 -6.426 158 3HD1 ILE 21 3HD1 ILE 21 -1.215 -0.701 -8.073 159 H LYS 22 H LYS 22 1.503 -0.206 -3.374 160 HA LYS 22 HA LYS 22 3.425 -1.818 -1.884 161 1HB LYS 22 1HB LYS 22 5.246 -0.162 -2.520 162 2HB LYS 22 2HB LYS 22 4.761 -1.304 -3.767 163 1HG LYS 22 1HG LYS 22 4.849 0.641 -4.965 164 2HG LYS 22 2HG LYS 22 3.149 0.623 -4.489 165 1HD LYS 22 1HD LYS 22 3.540 2.190 -2.740 166 2HD LYS 22 2HD LYS 22 5.290 2.045 -2.917 167 1HE LYS 22 1HE LYS 22 4.825 4.042 -4.001 168 2HE LYS 22 2HE LYS 22 4.880 2.882 -5.327 169 1HZ LYS 22 1HZ LYS 22 2.979 4.338 -5.539 170 2HZ LYS 22 2HZ LYS 22 2.423 3.897 -4.005 171 3HZ LYS 22 3HZ LYS 22 2.459 2.754 -5.252 172 H CYS 23 H CYS 23 4.756 -0.274 -0.404 173 HA CYS 23 HA CYS 23 2.918 1.060 1.278 174 1HB CYS 23 1HB CYS 23 5.297 -0.009 1.744 175 2HB CYS 23 2HB CYS 23 5.842 1.640 1.457 176 H VAL 24 H VAL 24 2.950 3.310 1.916 177 HA VAL 24 HA VAL 24 3.511 5.073 -0.371 178 HB VAL 24 HB VAL 24 1.138 4.844 0.605 179 1HG1 VAL 24 1HG1 VAL 24 0.625 5.685 2.638 180 2HG1 VAL 24 2HG1 VAL 24 2.318 5.320 2.974 181 3HG1 VAL 24 3HG1 VAL 24 1.838 6.960 2.537 182 1HG2 VAL 24 1HG2 VAL 24 1.583 6.526 -1.000 183 2HG2 VAL 24 2HG2 VAL 24 0.760 7.329 0.337 184 3HG2 VAL 24 2HG3 VAL 24 2.507 7.486 0.156 185 H ALA 25 H ALA 25 5.229 4.148 2.043 186 HA ALA 25 HA ALA 25 6.221 6.843 2.681 187 1HB ALA 25 1HB ALA 25 6.269 4.623 4.701 188 2HB ALA 25 2HB ALA 25 6.517 6.351 4.952 189 3HB ALA 25 3HB ALA 25 4.908 5.738 4.570 190 H CYS 26 H CYS 26 6.970 3.368 2.672 191 HA CYS 26 HA CYS 26 9.797 4.048 2.209 192 1HB CYS 26 1HB CYS 26 10.409 1.971 3.164 193 2HB CYS 26 2HB CYS 26 9.155 2.617 4.218 194 H GLU 27 H GLU 27 7.015 2.929 0.696 195 HA GLU 27 HA GLU 27 6.602 2.150 -1.402 196 1HB GLU 27 1HB GLU 27 9.528 2.292 -2.053 197 2HB GLU 27 2HB GLU 27 8.148 2.550 -3.110 198 1HG GLU 27 1HG GLU 27 7.797 4.699 -2.355 199 2HG GLU 27 2HG GLU 27 8.630 4.409 -0.829 200 H THR 28 H THR 28 6.797 0.267 0.529 201 HA THR 28 HA THR 28 8.574 -1.851 -0.362 202 HB THR 28 HB THR 28 7.030 -1.296 2.055 203 HG1 THR 28 1HG THR 28 9.458 -1.801 1.479 204 1HG2 THR 28 1HG2 THR 28 6.974 -4.051 0.847 205 2HG2 THR 28 2HG2 THR 28 5.633 -3.111 1.498 206 3HG2 THR 28 3HG2 THR 28 6.846 -3.786 2.585 207 HA PRO 29 HA PRO 29 5.662 -3.865 -2.974 208 1HB PRO 29 1HB PRO 29 6.617 -6.402 -2.834 209 2HB PRO 29 2HB PRO 29 7.431 -5.117 -3.736 210 1HG PRO 29 1HG PRO 29 8.024 -6.181 -1.001 211 2HG PRO 29 2HG PRO 29 9.148 -5.759 -2.306 212 1HD PRO 29 1HD PRO 29 8.673 -4.118 -0.206 213 2HD PRO 29 2HD PRO 29 9.056 -3.507 -1.829 214 H LYS 30 H LYS 30 3.620 -4.123 -2.310 215 HA LYS 30 HA LYS 30 2.804 -5.140 0.162 216 1HB LYS 30 1HB LYS 30 1.305 -3.757 -1.088 217 2HB LYS 30 2HB LYS 30 1.336 -4.856 -2.459 218 1HG LYS 30 1HG LYS 30 0.389 -6.545 -0.653 219 2HG LYS 30 2HG LYS 30 -0.159 -5.042 0.092 220 1HD LYS 30 1HD LYS 30 -0.646 -5.224 -2.796 221 2HD LYS 30 2HD LYS 30 -1.519 -6.413 -1.827 222 1HE LYS 30 1HE LYS 30 -2.339 -4.558 -0.394 223 2HE LYS 30 2HE LYS 30 -1.560 -3.416 -1.487 224 1HZ LYS 30 1HZ LYS 30 -3.546 -3.432 -2.493 225 2HZ LYS 30 2HZ LYS 30 -4.013 -4.912 -1.822 226 3HZ LYS 30 3HZ LYS 30 -3.017 -4.880 -3.189 227 HA PRO 31 HA PRO 31 3.179 -9.504 -0.293 228 1HB PRO 31 1HB PRO 31 1.364 -10.283 1.570 229 2HB PRO 31 2HB PRO 31 2.943 -9.609 1.990 230 1HG PRO 31 1HG PRO 31 0.270 -8.264 1.908 231 2HG PRO 31 2HG PRO 31 1.555 -8.127 3.123 232 1HD PRO 31 1HD PRO 31 1.165 -6.261 1.199 233 2HD PRO 31 2HD PRO 31 2.772 -6.639 1.852 Start of MODEL 8 1 1H GLY 0 1H GLY 0 -20.014 7.110 13.173 2 1HA GLY 0 1HA GLY 0 -20.919 6.437 10.667 3 2HA GLY 0 2HA GLY 0 -19.281 6.981 10.996 4 H HIS 1 H HIS 1 -18.757 5.583 9.154 5 HA HIS 1 HA HIS 1 -18.405 2.792 10.029 6 1HB HIS 1 1HB HIS 1 -18.917 3.722 7.197 7 2HB HIS 1 2HB HIS 1 -18.684 2.056 7.718 8 HD1 HIS 1 HD1 HIS 1 -21.295 3.848 6.517 9 HD2 HIS 1 HD2 HIS 1 -20.811 1.833 10.118 10 HE1 HIS 1 HE1 HIS 1 -23.624 3.373 7.340 11 H MET 2 H MET 2 -16.345 2.238 10.220 12 HA MET 2 HA MET 2 -14.346 3.706 8.628 13 1HB MET 2 1HB MET 2 -13.843 4.287 10.820 14 2HB MET 2 2HB MET 2 -14.311 2.714 11.453 15 1HG MET 2 1HG MET 2 -12.309 1.722 10.817 16 2HG MET 2 2HG MET 2 -11.931 3.003 9.667 17 1HE MET 2 1HE MET 2 -9.793 5.359 11.496 18 2HE MET 2 2HE MET 2 -9.589 4.017 10.371 19 3HE MET 2 3HE MET 2 -10.908 5.165 10.144 20 H VAL 3 H VAL 3 -13.527 2.506 7.052 21 HA VAL 3 HA VAL 3 -13.767 -0.332 6.974 22 HB VAL 3 HB VAL 3 -13.657 1.306 4.989 23 1HG1 VAL 3 1HG1 VAL 3 -11.264 2.000 5.995 24 2HG1 VAL 3 2HG1 VAL 3 -10.760 0.764 4.840 25 3HG1 VAL 3 3HG1 VAL 3 -11.685 2.162 4.291 26 1HG2 VAL 3 1HG2 VAL 3 -13.531 -0.547 3.758 27 2HG2 VAL 3 2HG2 VAL 3 -11.851 -0.824 4.216 28 3HG2 VAL 3 3HG2 VAL 3 -13.155 -1.411 5.249 29 H ILE 4 H ILE 4 -12.247 -1.911 7.273 30 HA ILE 4 HA ILE 4 -9.663 -1.045 8.398 31 HB ILE 4 HB ILE 4 -9.692 -3.126 9.759 32 1HG1 ILE 4 1HG1 ILE 4 -12.530 -3.300 8.725 33 2HG1 ILE 4 2HG1 ILE 4 -11.238 -4.466 8.465 34 1HG2 ILE 4 1HG2 ILE 4 -10.873 -0.708 10.265 35 2HG2 ILE 4 2HG2 ILE 4 -12.153 -1.850 10.673 36 3HG2 ILE 4 3HG2 ILE 4 -10.579 -1.973 11.458 37 1HD1 ILE 4 1HD1 ILE 4 -13.083 -4.204 10.673 38 2HD1 ILE 4 2HD1 ILE 4 -12.059 -5.562 10.206 39 3HD1 ILE 4 3HD1 ILE 4 -11.405 -4.270 11.213 40 H GLY 5 H GLY 5 -9.585 -1.308 5.785 41 1HA GLY 5 1HA GLY 5 -8.736 -4.062 5.189 42 2HA GLY 5 2HA GLY 5 -9.159 -2.846 3.993 43 H THR 6 H THR 6 -7.564 -0.797 5.466 44 HA THR 6 HA THR 6 -5.242 -0.840 3.999 45 HB THR 6 HB THR 6 -4.286 0.718 5.707 46 HG1 THR 6 1HG THR 6 -5.091 0.594 7.652 47 1HG2 THR 6 1HG2 THR 6 -5.387 2.186 4.438 48 2HG2 THR 6 2HG2 THR 6 -6.726 2.079 5.581 49 3HG2 THR 6 3HG2 THR 6 -6.698 1.040 4.157 50 H TRP 7 H TRP 7 -3.220 -1.668 4.212 51 HA TRP 7 HA TRP 7 -2.858 -3.683 6.311 52 1HB TRP 7 1HB TRP 7 -0.854 -4.311 4.789 53 2HB TRP 7 2HB TRP 7 -2.483 -4.695 4.241 54 HD1 TRP 7 1HD TRP 7 -3.556 -2.814 2.444 55 HE1 TRP 7 1HE TRP 7 -2.350 -1.594 0.525 56 HE3 TRP 7 3HE TRP 7 1.274 -3.416 4.009 57 HZ2 TRP 7 2HZ TRP 7 0.298 -0.970 -0.226 58 HZ3 TRP 7 3HZ TRP 7 3.085 -2.478 2.632 59 HH2 TRP 7 2HH TRP 7 2.605 -1.281 0.559 60 H ASP 8 H ASP 8 -1.176 -3.642 7.737 61 HA ASP 8 HA ASP 8 0.237 -1.103 7.974 62 1HB ASP 8 1HB ASP 8 0.254 -3.430 9.902 63 2HB ASP 8 2HB ASP 8 0.759 -1.774 10.225 64 H CYS 9 H CYS 9 2.385 -0.843 7.712 65 HA CYS 9 HA CYS 9 3.855 -2.864 6.341 66 1HB CYS 9 1HB CYS 9 4.066 -0.314 6.100 67 2HB CYS 9 2HB CYS 9 5.050 -0.381 7.558 68 H ASP 10 H ASP 10 5.915 -3.747 7.014 69 HA ASP 10 HA ASP 10 6.131 -4.052 9.937 70 1HB ASP 10 1HB ASP 10 5.268 -6.108 8.930 71 2HB ASP 10 2HB ASP 10 6.632 -6.149 7.815 72 H THR 11 H THR 11 7.505 -2.366 7.755 73 HA THR 11 HA THR 11 10.248 -2.996 8.616 74 HB THR 11 HB THR 11 9.262 -2.402 5.846 75 HG1 THR 11 1HG THR 11 9.776 -4.464 5.848 76 1HG2 THR 11 1HG2 THR 11 11.748 -2.075 5.293 77 2HG2 THR 11 2HG2 THR 11 11.946 -1.708 7.007 78 3HG2 THR 11 3HG3 THR 11 10.883 -0.716 6.010 79 H CYS 12 H CYS 12 8.108 -0.505 7.258 80 HA CYS 12 HA CYS 12 9.779 1.544 8.555 81 1HB CYS 12 1HB CYS 12 9.253 3.024 6.874 82 2HB CYS 12 2HB CYS 12 9.186 1.511 5.978 83 H LEU 13 H LEU 13 7.008 -0.177 9.015 84 HA LEU 13 HA LEU 13 5.177 0.052 10.343 85 1HB LEU 13 1HB LEU 13 7.142 1.953 11.511 86 2HB LEU 13 2HB LEU 13 5.479 2.015 12.091 87 HG LEU 13 HG LEU 13 5.802 -0.541 12.476 88 1HD1 LEU 13 1HD1 LEU 13 8.643 0.448 12.338 89 2HD1 LEU 13 2HD1 LEU 13 7.906 -0.837 11.383 90 3HD1 LEU 13 3HD1 LEU 13 8.154 -1.058 13.114 91 1HD2 LEU 13 1HD2 LEU 13 7.207 1.461 14.240 92 2HD2 LEU 13 2HD2 LEU 13 6.559 -0.106 14.726 93 3HD2 LEU 13 3HD2 LEU 13 5.466 1.182 14.216 94 H VAL 14 H VAL 14 3.839 0.692 8.601 95 HA VAL 14 HA VAL 14 2.538 3.194 9.003 96 HB VAL 14 HB VAL 14 4.710 3.271 7.213 97 1HG1 VAL 14 1HG1 VAL 14 3.239 2.176 5.564 98 2HG1 VAL 14 2HG1 VAL 14 2.086 3.501 5.741 99 3HG1 VAL 14 3HG1 VAL 14 3.695 3.810 5.084 100 1HG2 VAL 14 1HG2 VAL 14 3.630 5.574 6.709 101 2HG2 VAL 14 2HG2 VAL 14 2.458 5.104 7.942 102 3HG2 VAL 14 3HG2 VAL 14 4.170 5.218 8.351 103 H GLN 15 H GLN 15 0.479 3.121 8.269 104 HA GLN 15 HA GLN 15 -0.405 0.644 7.055 105 1HB GLN 15 1HB GLN 15 -2.044 3.031 7.917 106 2HB GLN 15 2HB GLN 15 -2.652 1.427 7.530 107 1HG GLN 15 1HG GLN 15 -2.645 1.429 9.835 108 2HG GLN 15 2HG GLN 15 -1.123 0.630 9.444 109 1HE2 GLN 15 2HE2 GLN 15 -2.234 3.992 9.722 110 2HE2 GLN 15 1HE2 GLN 15 -0.952 4.509 10.759 111 H ASN 16 H ASN 16 -1.598 0.486 5.129 112 HA ASN 16 HA ASN 16 -1.705 2.836 3.400 113 1HB ASN 16 1HB ASN 16 -0.634 0.330 2.180 114 2HB ASN 16 2HB ASN 16 -0.374 2.007 1.707 115 1HD2 ASN 16 2HD2 ASN 16 0.173 0.022 4.603 116 2HD2 ASN 16 1HD2 ASN 16 1.806 0.530 4.846 117 H LYS 17 H LYS 17 -3.244 2.709 1.751 118 HA LYS 17 HA LYS 17 -5.545 1.220 2.299 119 1HB LYS 17 1HB LYS 17 -6.480 2.186 0.376 120 2HB LYS 17 2HB LYS 17 -5.298 3.369 0.920 121 1HG LYS 17 1HG LYS 17 -3.788 2.803 -0.792 122 2HG LYS 17 2HG LYS 17 -4.665 1.322 -1.182 123 1HD LYS 17 1HD LYS 17 -5.092 3.042 -2.853 124 2HD LYS 17 2HD LYS 17 -6.567 2.662 -1.960 125 1HE LYS 17 1HE LYS 17 -6.019 5.131 -2.399 126 2HE LYS 17 2HE LYS 17 -6.503 4.666 -0.770 127 1HZ LYS 17 1HZ LYS 17 -4.137 4.577 -0.171 128 2HZ LYS 17 2HZ LYS 17 -4.613 6.121 -0.671 129 3HZ LYS 17 3HZ LYS 17 -3.727 5.129 -1.717 130 HA PRO 18 HA PRO 18 -4.732 -2.732 0.541 131 1HB PRO 18 1HB PRO 18 -7.284 -3.536 0.074 132 2HB PRO 18 2HB PRO 18 -6.581 -3.461 1.694 133 1HG PRO 18 1HG PRO 18 -8.376 -1.502 0.316 134 2HG PRO 18 2HG PRO 18 -8.430 -2.082 1.990 135 1HD PRO 18 1HD PRO 18 -7.364 0.313 1.313 136 2HD PRO 18 2HD PRO 18 -6.757 -0.653 2.674 137 H GLU 19 H GLU 19 -6.141 -0.165 -1.182 138 HA GLU 19 HA GLU 19 -6.468 -1.642 -3.659 139 1HB GLU 19 1HB GLU 19 -6.561 1.339 -3.551 140 2HB GLU 19 2HB GLU 19 -7.531 0.223 -4.503 141 1HG GLU 19 1HG GLU 19 -8.651 -0.466 -2.366 142 2HG GLU 19 2HG GLU 19 -7.814 0.873 -1.583 143 H ALA 20 H ALA 20 -3.925 -0.279 -2.011 144 HA ALA 20 HA ALA 20 -2.478 0.686 -4.336 145 1HB ALA 20 1HB ALA 20 -2.211 1.905 -2.271 146 2HB ALA 20 2HB ALA 20 -1.661 0.448 -1.443 147 3HB ALA 20 3HB ALA 20 -0.674 1.164 -2.717 148 H ILE 21 H ILE 21 -0.136 -0.087 -4.544 149 HA ILE 21 HA ILE 21 -0.129 -3.030 -4.440 150 HB ILE 21 HB ILE 21 1.409 -1.220 -6.307 151 1HG1 ILE 21 1HG1 ILE 21 -0.784 -1.100 -7.085 152 2HG1 ILE 21 2HG1 ILE 21 -0.136 -2.458 -7.997 153 1HG2 ILE 21 1HG2 ILE 21 1.428 -3.729 -7.391 154 2HG2 ILE 21 2HG2 ILE 21 2.748 -3.005 -6.472 155 3HG2 ILE 21 3HG2 ILE 21 1.589 -4.065 -5.668 156 1HD1 ILE 21 1HD1 ILE 21 -1.937 -2.555 -5.596 157 2HD1 ILE 21 2HD1 ILE 21 -2.299 -3.062 -7.247 158 3HD1 ILE 21 3HD1 ILE 21 -1.139 -3.971 -6.279 159 H LYS 22 H LYS 22 1.501 -0.160 -3.450 160 HA LYS 22 HA LYS 22 3.444 -1.785 -1.990 161 1HB LYS 22 1HB LYS 22 5.254 -0.157 -2.588 162 2HB LYS 22 2HB LYS 22 4.702 -1.156 -3.926 163 1HG LYS 22 1HG LYS 22 3.214 0.771 -4.591 164 2HG LYS 22 2HG LYS 22 4.093 1.740 -3.406 165 1HD LYS 22 1HD LYS 22 6.188 1.283 -4.571 166 2HD LYS 22 2HD LYS 22 5.329 0.276 -5.740 167 1HE LYS 22 1HE LYS 22 4.928 3.232 -5.289 168 2HE LYS 22 2HE LYS 22 5.757 2.489 -6.656 169 1HZ LYS 22 1HZ LYS 22 3.791 2.503 -7.659 170 2HZ LYS 22 2HZ LYS 22 2.963 2.894 -6.236 171 3HZ LYS 22 3HZ LYS 22 3.308 1.278 -6.597 172 H CYS 23 H CYS 23 4.813 -0.140 -0.560 173 HA CYS 23 HA CYS 23 2.908 1.114 1.163 174 1HB CYS 23 1HB CYS 23 5.224 -0.048 1.689 175 2HB CYS 23 2HB CYS 23 5.844 1.583 1.457 176 H VAL 24 H VAL 24 2.871 3.327 1.799 177 HA VAL 24 HA VAL 24 3.627 5.139 -0.386 178 HB VAL 24 HB VAL 24 1.200 4.940 0.466 179 1HG1 VAL 24 1HG1 VAL 24 2.262 5.330 2.899 180 2HG1 VAL 24 2HG1 VAL 24 1.865 6.997 2.479 181 3HG1 VAL 24 3HG1 VAL 24 0.603 5.764 2.487 182 1HG2 VAL 24 1HG2 VAL 24 0.788 7.291 0.034 183 2HG2 VAL 24 2HG2 VAL 24 2.488 7.666 0.325 184 3HG2 VAL 24 2HG3 VAL 24 2.027 6.683 -1.065 185 H ALA 25 H ALA 25 5.246 4.118 2.025 186 HA ALA 25 HA ALA 25 6.223 6.774 2.825 187 1HB ALA 25 1HB ALA 25 6.250 4.486 4.758 188 2HB ALA 25 2HB ALA 25 6.389 6.217 5.076 189 3HB ALA 25 3HB ALA 25 4.836 5.528 4.603 190 H CYS 26 H CYS 26 6.943 3.306 2.611 191 HA CYS 26 HA CYS 26 9.787 3.992 2.264 192 1HB CYS 26 1HB CYS 26 10.377 1.870 3.165 193 2HB CYS 26 2HB CYS 26 9.155 2.539 4.241 194 H GLU 27 H GLU 27 7.027 2.874 0.698 195 HA GLU 27 HA GLU 27 6.654 2.152 -1.430 196 1HB GLU 27 1HB GLU 27 9.559 2.183 -2.107 197 2HB GLU 27 2HB GLU 27 8.178 2.664 -3.081 198 1HG GLU 27 1HG GLU 27 7.978 4.571 -1.296 199 2HG GLU 27 2HG GLU 27 9.681 4.205 -1.032 200 H THR 28 H THR 28 6.811 0.245 0.501 201 HA THR 28 HA THR 28 8.562 -1.888 -0.410 202 HB THR 28 HB THR 28 7.008 -1.343 2.009 203 HG1 THR 28 1HG THR 28 8.742 -2.804 2.790 204 1HG2 THR 28 1HG2 THR 28 7.122 -4.170 0.948 205 2HG2 THR 28 2HG2 THR 28 5.664 -3.208 1.194 206 3HG2 THR 28 3HG2 THR 28 6.635 -3.706 2.579 207 HA PRO 29 HA PRO 29 5.612 -3.809 -3.054 208 1HB PRO 29 1HB PRO 29 6.569 -6.349 -2.996 209 2HB PRO 29 2HB PRO 29 7.371 -5.041 -3.872 210 1HG PRO 29 1HG PRO 29 7.999 -6.179 -1.175 211 2HG PRO 29 2HG PRO 29 9.106 -5.723 -2.483 212 1HD PRO 29 1HD PRO 29 8.660 -4.139 -0.334 213 2HD PRO 29 2HD PRO 29 9.023 -3.483 -1.943 214 H LYS 30 H LYS 30 3.589 -4.008 -2.293 215 HA LYS 30 HA LYS 30 2.767 -5.058 0.126 216 1HB LYS 30 1HB LYS 30 1.242 -3.754 -1.177 217 2HB LYS 30 2HB LYS 30 1.324 -4.887 -2.519 218 1HG LYS 30 1HG LYS 30 0.396 -6.568 -0.716 219 2HG LYS 30 2HG LYS 30 -0.174 -5.076 0.038 220 1HD LYS 30 1HD LYS 30 -0.674 -5.256 -2.848 221 2HD LYS 30 2HD LYS 30 -1.520 -6.465 -1.880 222 1HE LYS 30 1HE LYS 30 -2.422 -4.676 -0.461 223 2HE LYS 30 2HE LYS 30 -1.593 -3.478 -1.455 224 1HZ LYS 30 1HZ LYS 30 -3.534 -3.435 -2.546 225 2HZ LYS 30 2HZ LYS 30 -4.025 -4.954 -1.985 226 3HZ LYS 30 3HZ LYS 30 -2.967 -4.839 -3.300 227 HA PRO 31 HA PRO 31 3.278 -9.419 -0.207 228 1HB PRO 31 1HB PRO 31 1.464 -10.203 1.654 229 2HB PRO 31 2HB PRO 31 3.017 -9.470 2.075 230 1HG PRO 31 1HG PRO 31 0.306 -8.209 1.924 231 2HG PRO 31 2HG PRO 31 1.570 -8.002 3.151 232 1HD PRO 31 1HD PRO 31 1.149 -6.200 1.173 233 2HD PRO 31 2HD PRO 31 2.758 -6.511 1.855 Start of MODEL 9 1 1H GLY 0 1H GLY 0 -15.954 7.196 11.573 2 1HA GLY 0 1HA GLY 0 -17.364 9.374 10.837 3 2HA GLY 0 2HA GLY 0 -15.709 9.957 10.740 4 H HIS 1 H HIS 1 -15.691 10.237 8.529 5 HA HIS 1 HA HIS 1 -16.336 7.976 6.812 6 1HB HIS 1 1HB HIS 1 -17.151 9.936 5.860 7 2HB HIS 1 2HB HIS 1 -15.748 10.878 6.352 8 HD1 HIS 1 HD1 HIS 1 -13.564 10.571 4.895 9 HD2 HIS 1 HD2 HIS 1 -16.990 8.794 3.358 10 HE1 HIS 1 HE1 HIS 1 -13.035 10.058 2.491 11 H MET 2 H MET 2 -14.866 6.566 6.141 12 HA MET 2 HA MET 2 -12.224 7.316 5.386 13 1HB MET 2 1HB MET 2 -12.045 7.265 7.890 14 2HB MET 2 2HB MET 2 -12.444 5.553 7.831 15 1HG MET 2 1HG MET 2 -10.148 5.521 7.954 16 2HG MET 2 2HG MET 2 -10.432 5.382 6.221 17 1HE MET 2 1HE MET 2 -8.689 7.854 4.591 18 2HE MET 2 2HE MET 2 -7.620 6.804 5.520 19 3HE MET 2 3HE MET 2 -9.127 6.167 4.861 20 H VAL 3 H VAL 3 -11.270 5.782 4.104 21 HA VAL 3 HA VAL 3 -12.835 3.876 2.846 22 HB VAL 3 HB VAL 3 -10.564 4.856 2.121 23 1HG1 VAL 3 1HG1 VAL 3 -8.596 3.704 2.678 24 2HG1 VAL 3 2HG1 VAL 3 -9.441 3.917 4.213 25 3HG1 VAL 3 3HG1 VAL 3 -9.484 2.357 3.390 26 1HG2 VAL 3 1HG2 VAL 3 -11.529 3.476 0.556 27 2HG2 VAL 3 2HG2 VAL 3 -10.049 2.586 0.916 28 3HG2 VAL 3 3HG2 VAL 3 -11.575 2.091 1.647 29 H ILE 4 H ILE 4 -12.899 1.603 2.919 30 HA ILE 4 HA ILE 4 -12.442 0.518 5.596 31 HB ILE 4 HB ILE 4 -13.943 -0.718 3.284 32 1HG1 ILE 4 1HG1 ILE 4 -15.885 -0.113 4.993 33 2HG1 ILE 4 2HG1 ILE 4 -14.753 1.147 5.468 34 1HG2 ILE 4 1HG2 ILE 4 -14.898 -1.783 5.635 35 2HG2 ILE 4 2HG2 ILE 4 -13.772 -2.564 4.525 36 3HG2 ILE 4 3HG2 ILE 4 -13.161 -1.671 5.918 37 1HD1 ILE 4 1HD1 ILE 4 -15.737 0.702 2.662 38 2HD1 ILE 4 2HD1 ILE 4 -16.392 1.889 3.790 39 3HD1 ILE 4 3HD1 ILE 4 -14.725 2.028 3.233 40 H GLY 5 H GLY 5 -10.918 -0.951 6.044 41 1HA GLY 5 1HA GLY 5 -9.524 -2.804 5.607 42 2HA GLY 5 2HA GLY 5 -9.755 -2.542 3.884 43 H THR 6 H THR 6 -7.306 -2.894 5.565 44 HA THR 6 HA THR 6 -5.608 -1.147 4.185 45 HB THR 6 HB THR 6 -4.826 0.008 6.464 46 HG1 THR 6 1HG THR 6 -6.334 -0.011 7.939 47 1HG2 THR 6 1HG2 THR 6 -6.221 0.801 4.141 48 2HG2 THR 6 2HG2 THR 6 -5.274 1.810 5.235 49 3HG2 THR 6 3HG2 THR 6 -7.004 1.599 5.506 50 H TRP 7 H TRP 7 -3.392 -1.510 4.641 51 HA TRP 7 HA TRP 7 -2.875 -3.718 6.522 52 1HB TRP 7 1HB TRP 7 -1.099 -4.460 4.862 53 2HB TRP 7 2HB TRP 7 -2.771 -4.715 4.369 54 HD1 TRP 7 1HD TRP 7 -3.763 -2.781 2.605 55 HE1 TRP 7 1HE TRP 7 -2.537 -1.611 0.667 56 HE3 TRP 7 3HE TRP 7 1.061 -3.652 4.054 57 HZ2 TRP 7 2HZ TRP 7 0.123 -1.122 -0.140 58 HZ3 TRP 7 3HZ TRP 7 2.888 -2.800 2.643 59 HH2 TRP 7 2HH TRP 7 2.426 -1.562 0.590 60 H ASP 8 H ASP 8 -1.155 -3.495 7.843 61 HA ASP 8 HA ASP 8 0.270 -0.956 7.759 62 1HB ASP 8 1HB ASP 8 0.602 -3.088 9.859 63 2HB ASP 8 2HB ASP 8 0.869 -1.353 10.006 64 H CYS 9 H CYS 9 2.573 -0.826 7.939 65 HA CYS 9 HA CYS 9 3.905 -2.807 6.305 66 1HB CYS 9 1HB CYS 9 4.208 -0.251 6.177 67 2HB CYS 9 2HB CYS 9 5.224 -0.432 7.603 68 H ASP 10 H ASP 10 6.186 -3.460 6.975 69 HA ASP 10 HA ASP 10 6.289 -4.063 9.854 70 1HB ASP 10 1HB ASP 10 5.526 -6.019 8.418 71 2HB ASP 10 2HB ASP 10 7.140 -6.015 7.714 72 H THR 11 H THR 11 7.751 -2.582 7.316 73 HA THR 11 HA THR 11 10.458 -3.028 8.390 74 HB THR 11 HB THR 11 9.509 -3.005 5.704 75 HG1 THR 11 1HG THR 11 11.133 -4.362 6.013 76 1HG2 THR 11 1HG2 THR 11 11.524 -0.831 6.285 77 2HG2 THR 11 2HG2 THR 11 9.860 -0.572 5.760 78 3HG2 THR 11 3HG3 THR 11 11.009 -1.372 4.688 79 H CYS 12 H CYS 12 8.151 -0.582 7.320 80 HA CYS 12 HA CYS 12 9.789 1.456 8.680 81 1HB CYS 12 1HB CYS 12 9.336 3.008 7.043 82 2HB CYS 12 2HB CYS 12 9.346 1.538 6.075 83 H LEU 13 H LEU 13 7.054 -0.334 8.938 84 HA LEU 13 HA LEU 13 5.121 -0.183 10.129 85 1HB LEU 13 1HB LEU 13 6.260 2.115 11.654 86 2HB LEU 13 2HB LEU 13 5.280 0.767 12.228 87 HG LEU 13 HG LEU 13 8.070 0.275 11.271 88 1HD1 LEU 13 1HD1 LEU 13 7.245 1.676 13.755 89 2HD1 LEU 13 2HD1 LEU 13 8.701 1.862 12.778 90 3HD1 LEU 13 3HD1 LEU 13 8.538 0.481 13.863 91 1HD2 LEU 13 1HD2 LEU 13 6.107 -1.385 12.105 92 2HD2 LEU 13 2HD2 LEU 13 6.934 -1.066 13.630 93 3HD2 LEU 13 3HD2 LEU 13 7.829 -1.731 12.263 94 H VAL 14 H VAL 14 3.732 0.546 8.538 95 HA VAL 14 HA VAL 14 2.571 3.114 8.971 96 HB VAL 14 HB VAL 14 4.669 3.049 7.087 97 1HG1 VAL 14 1HG1 VAL 14 2.003 3.451 5.737 98 2HG1 VAL 14 2HG1 VAL 14 3.597 3.637 5.004 99 3HG1 VAL 14 3HG1 VAL 14 3.043 2.044 5.521 100 1HG2 VAL 14 1HG2 VAL 14 2.553 5.173 7.317 101 2HG2 VAL 14 2HG2 VAL 14 3.788 4.921 8.550 102 3HG2 VAL 14 3HG2 VAL 14 4.257 5.369 6.911 103 H GLN 15 H GLN 15 0.498 3.204 8.220 104 HA GLN 15 HA GLN 15 -0.575 0.742 7.119 105 1HB GLN 15 1HB GLN 15 -1.797 3.220 8.301 106 2HB GLN 15 2HB GLN 15 -2.783 2.051 7.434 107 1HG GLN 15 1HG GLN 15 -3.029 1.322 9.584 108 2HG GLN 15 2HG GLN 15 -1.665 0.339 9.054 109 1HE2 GLN 15 2HE2 GLN 15 -2.736 1.833 11.627 110 2HE2 GLN 15 1HE2 GLN 15 -1.269 2.414 12.330 111 H ASN 16 H ASN 16 -1.603 0.527 5.164 112 HA ASN 16 HA ASN 16 -1.739 2.861 3.403 113 1HB ASN 16 1HB ASN 16 -0.692 0.325 2.229 114 2HB ASN 16 2HB ASN 16 -0.412 1.991 1.731 115 1HD2 ASN 16 2HD2 ASN 16 0.121 0.010 4.631 116 2HD2 ASN 16 1HD2 ASN 16 1.754 0.516 4.880 117 H LYS 17 H LYS 17 -3.241 2.679 1.702 118 HA LYS 17 HA LYS 17 -5.563 1.210 2.298 119 1HB LYS 17 1HB LYS 17 -6.511 2.187 0.395 120 2HB LYS 17 2HB LYS 17 -5.306 3.362 0.908 121 1HG LYS 17 1HG LYS 17 -3.824 2.743 -0.820 122 2HG LYS 17 2HG LYS 17 -4.757 1.293 -1.200 123 1HD LYS 17 1HD LYS 17 -5.369 2.776 -2.885 124 2HD LYS 17 2HD LYS 17 -6.679 2.938 -1.713 125 1HE LYS 17 1HE LYS 17 -5.925 5.009 -0.974 126 2HE LYS 17 2HE LYS 17 -4.296 4.746 -1.592 127 1HZ LYS 17 1HZ LYS 17 -5.414 4.766 -3.871 128 2HZ LYS 17 2HZ LYS 17 -5.235 6.247 -3.074 129 3HZ LYS 17 3HZ LYS 17 -6.737 5.470 -3.087 130 HA PRO 18 HA PRO 18 -4.767 -2.740 0.531 131 1HB PRO 18 1HB PRO 18 -7.317 -3.529 0.040 132 2HB PRO 18 2HB PRO 18 -6.629 -3.460 1.666 133 1HG PRO 18 1HG PRO 18 -8.401 -1.489 0.276 134 2HG PRO 18 2HG PRO 18 -8.473 -2.072 1.949 135 1HD PRO 18 1HD PRO 18 -7.389 0.318 1.286 136 2HD PRO 18 2HD PRO 18 -6.798 -0.653 2.649 137 H GLU 19 H GLU 19 -6.150 -0.163 -1.199 138 HA GLU 19 HA GLU 19 -6.459 -1.634 -3.683 139 1HB GLU 19 1HB GLU 19 -8.077 -0.005 -3.614 140 2HB GLU 19 2HB GLU 19 -7.049 1.132 -2.754 141 1HG GLU 19 1HG GLU 19 -5.875 1.698 -4.745 142 2HG GLU 19 2HG GLU 19 -6.653 0.395 -5.641 143 H ALA 20 H ALA 20 -3.928 -0.281 -2.008 144 HA ALA 20 HA ALA 20 -2.457 0.694 -4.311 145 1HB ALA 20 1HB ALA 20 -0.659 1.135 -2.676 146 2HB ALA 20 2HB ALA 20 -2.193 1.884 -2.228 147 3HB ALA 20 3HB ALA 20 -1.660 0.410 -1.417 148 H ILE 21 H ILE 21 -0.108 -0.089 -4.494 149 HA ILE 21 HA ILE 21 -0.127 -3.034 -4.444 150 HB ILE 21 HB ILE 21 0.068 -2.534 -6.685 151 1HG1 ILE 21 1HG1 ILE 21 2.947 -2.454 -5.757 152 2HG1 ILE 21 2HG1 ILE 21 1.982 -3.917 -5.922 153 1HG2 ILE 21 1HG2 ILE 21 1.478 -0.081 -5.751 154 2HG2 ILE 21 2HG2 ILE 21 1.747 -0.651 -7.397 155 3HG2 ILE 21 3HG2 ILE 21 0.117 -0.246 -6.861 156 1HD1 ILE 21 1HD1 ILE 21 1.818 -2.559 -8.378 157 2HD1 ILE 21 2HD1 ILE 21 3.512 -2.542 -7.888 158 3HD1 ILE 21 3HD1 ILE 21 2.648 -4.073 -8.019 159 H LYS 22 H LYS 22 1.494 -0.201 -3.362 160 HA LYS 22 HA LYS 22 3.388 -1.853 -1.884 161 1HB LYS 22 1HB LYS 22 5.247 -0.254 -2.477 162 2HB LYS 22 2HB LYS 22 4.721 -1.312 -3.780 163 1HG LYS 22 1HG LYS 22 3.276 0.592 -4.581 164 2HG LYS 22 2HG LYS 22 4.125 1.611 -3.417 165 1HD LYS 22 1HD LYS 22 6.205 1.276 -4.507 166 2HD LYS 22 2HD LYS 22 5.552 -0.029 -5.501 167 1HE LYS 22 1HE LYS 22 4.413 2.739 -5.653 168 2HE LYS 22 2HE LYS 22 5.870 2.314 -6.550 169 1HZ LYS 22 1HZ LYS 22 3.839 2.045 -7.866 170 2HZ LYS 22 2HZ LYS 22 3.272 0.892 -6.766 171 3HZ LYS 22 3HZ LYS 22 4.663 0.580 -7.675 172 H CYS 23 H CYS 23 4.769 -0.264 -0.431 173 HA CYS 23 HA CYS 23 2.908 1.047 1.269 174 1HB CYS 23 1HB CYS 23 5.229 -0.078 1.790 175 2HB CYS 23 2HB CYS 23 5.853 1.538 1.473 176 H VAL 24 H VAL 24 2.942 3.285 1.915 177 HA VAL 24 HA VAL 24 3.598 5.063 -0.335 178 HB VAL 24 HB VAL 24 1.199 4.904 0.454 179 1HG1 VAL 24 1HG1 VAL 24 1.941 6.713 2.704 180 2HG1 VAL 24 2HG1 VAL 24 0.523 5.681 2.505 181 3HG1 VAL 24 3HG1 VAL 24 2.081 4.969 2.928 182 1HG2 VAL 24 1HG2 VAL 24 1.668 7.708 0.876 183 2HG2 VAL 24 2HG2 VAL 24 2.724 7.096 -0.397 184 3HG2 VAL 24 2HG3 VAL 24 0.977 6.888 -0.524 185 H ALA 25 H ALA 25 5.243 4.095 2.100 186 HA ALA 25 HA ALA 25 6.215 6.774 2.830 187 1HB ALA 25 1HB ALA 25 6.306 4.512 4.791 188 2HB ALA 25 2HB ALA 25 6.429 6.248 5.084 189 3HB ALA 25 3HB ALA 25 4.876 5.535 4.648 190 H CYS 26 H CYS 26 6.967 3.316 2.610 191 HA CYS 26 HA CYS 26 9.802 4.028 2.238 192 1HB CYS 26 1HB CYS 26 10.415 1.900 3.110 193 2HB CYS 26 2HB CYS 26 9.201 2.552 4.205 194 H GLU 27 H GLU 27 7.029 2.831 0.716 195 HA GLU 27 HA GLU 27 6.645 2.155 -1.427 196 1HB GLU 27 1HB GLU 27 9.589 2.312 -2.009 197 2HB GLU 27 2HB GLU 27 8.238 2.547 -3.108 198 1HG GLU 27 1HG GLU 27 7.887 4.699 -2.444 199 2HG GLU 27 2HG GLU 27 8.525 4.422 -0.826 200 H THR 28 H THR 28 6.826 0.236 0.488 201 HA THR 28 HA THR 28 8.580 -1.882 -0.456 202 HB THR 28 HB THR 28 7.063 -1.358 1.988 203 HG1 THR 28 1HG THR 28 9.030 -3.298 1.934 204 1HG2 THR 28 1HG2 THR 28 7.002 -4.091 0.734 205 2HG2 THR 28 2HG2 THR 28 5.668 -3.170 1.430 206 3HG2 THR 28 3HG2 THR 28 6.904 -3.861 2.479 207 HA PRO 29 HA PRO 29 5.605 -3.814 -3.064 208 1HB PRO 29 1HB PRO 29 6.561 -6.354 -3.012 209 2HB PRO 29 2HB PRO 29 7.356 -5.047 -3.897 210 1HG PRO 29 1HG PRO 29 8.009 -6.181 -1.205 211 2HG PRO 29 2HG PRO 29 9.105 -5.727 -2.523 212 1HD PRO 29 1HD PRO 29 8.678 -4.140 -0.372 213 2HD PRO 29 2HD PRO 29 9.026 -3.487 -1.986 214 H LYS 30 H LYS 30 3.579 -4.086 -2.358 215 HA LYS 30 HA LYS 30 2.807 -5.151 0.102 216 1HB LYS 30 1HB LYS 30 1.280 -3.766 -1.113 217 2HB LYS 30 2HB LYS 30 1.298 -4.853 -2.495 218 1HG LYS 30 1HG LYS 30 0.397 -6.562 -0.676 219 2HG LYS 30 2HG LYS 30 -0.165 -5.064 0.071 220 1HD LYS 30 1HD LYS 30 -0.668 -5.311 -2.823 221 2HD LYS 30 2HD LYS 30 -1.553 -6.443 -1.797 222 1HE LYS 30 1HE LYS 30 -2.341 -4.530 -0.440 223 2HE LYS 30 2HE LYS 30 -1.529 -3.437 -1.558 224 1HZ LYS 30 1HZ LYS 30 -3.538 -3.431 -2.538 225 2HZ LYS 30 2HZ LYS 30 -4.000 -4.923 -1.887 226 3HZ LYS 30 3HZ LYS 30 -2.998 -4.868 -3.248 227 HA PRO 31 HA PRO 31 3.215 -9.506 -0.409 228 1HB PRO 31 1HB PRO 31 1.434 -10.323 1.470 229 2HB PRO 31 2HB PRO 31 3.013 -9.640 1.876 230 1HG PRO 31 1HG PRO 31 0.328 -8.317 1.848 231 2HG PRO 31 2HG PRO 31 1.629 -8.183 3.045 232 1HD PRO 31 1HD PRO 31 1.194 -6.298 1.150 233 2HD PRO 31 2HD PRO 31 2.814 -6.668 1.774 Start of MODEL 10 1 1H GLY 0 1H GLY 0 -19.407 -9.596 -4.787 2 1HA GLY 0 1HA GLY 0 -18.600 -9.912 -7.372 3 2HA GLY 0 2HA GLY 0 -18.377 -8.194 -7.078 4 H HIS 1 H HIS 1 -16.696 -7.496 -5.815 5 HA HIS 1 HA HIS 1 -14.786 -9.581 -4.996 6 1HB HIS 1 1HB HIS 1 -13.016 -8.141 -5.516 7 2HB HIS 1 2HB HIS 1 -14.178 -7.835 -6.804 8 HD1 HIS 1 HD1 HIS 1 -15.383 -5.539 -6.792 9 HD2 HIS 1 HD2 HIS 1 -12.562 -6.006 -3.778 10 HE1 HIS 1 HE1 HIS 1 -15.004 -3.233 -5.863 11 H MET 2 H MET 2 -13.159 -8.451 -3.296 12 HA MET 2 HA MET 2 -14.513 -6.831 -1.335 13 1HB MET 2 1HB MET 2 -14.520 -8.412 0.460 14 2HB MET 2 2HB MET 2 -15.354 -9.153 -0.899 15 1HG MET 2 1HG MET 2 -12.452 -9.655 -0.340 16 2HG MET 2 2HG MET 2 -13.735 -10.602 0.407 17 1HE MET 2 1HE MET 2 -14.798 -13.078 -1.863 18 2HE MET 2 2HE MET 2 -13.232 -13.254 -1.072 19 3HE MET 2 3HE MET 2 -14.547 -12.417 -0.246 20 H VAL 3 H VAL 3 -13.102 -6.295 0.502 21 HA VAL 3 HA VAL 3 -10.249 -6.599 -0.180 22 HB VAL 3 HB VAL 3 -9.854 -4.366 0.774 23 1HG1 VAL 3 1HG1 VAL 3 -9.996 -4.262 -1.529 24 2HG1 VAL 3 2HG1 VAL 3 -11.704 -4.708 -1.550 25 3HG1 VAL 3 3HG1 VAL 3 -11.219 -3.090 -1.037 26 1HG2 VAL 3 1HG2 VAL 3 -11.598 -2.912 1.433 27 2HG2 VAL 3 2HG2 VAL 3 -12.841 -3.999 0.813 28 3HG2 VAL 3 3HG2 VAL 3 -11.913 -4.447 2.244 29 H ILE 4 H ILE 4 -8.765 -6.434 1.643 30 HA ILE 4 HA ILE 4 -9.892 -7.724 4.010 31 HB ILE 4 HB ILE 4 -7.319 -7.849 4.563 32 1HG1 ILE 4 1HG1 ILE 4 -7.210 -7.787 1.552 33 2HG1 ILE 4 2HG1 ILE 4 -6.842 -6.368 2.526 34 1HG2 ILE 4 1HG2 ILE 4 -8.137 -9.640 2.334 35 2HG2 ILE 4 2HG2 ILE 4 -7.381 -10.029 3.879 36 3HG2 ILE 4 3HG2 ILE 4 -9.100 -9.638 3.811 37 1HD1 ILE 4 1HD1 ILE 4 -5.229 -8.710 1.956 38 2HD1 ILE 4 2HD1 ILE 4 -4.750 -7.109 2.521 39 3HD1 ILE 4 3HD1 ILE 4 -5.298 -8.324 3.675 40 H GLY 5 H GLY 5 -8.735 -4.685 2.972 41 1HA GLY 5 1HA GLY 5 -9.182 -2.757 4.353 42 2HA GLY 5 2HA GLY 5 -8.796 -3.736 5.762 43 H THR 6 H THR 6 -7.672 -1.219 5.301 44 HA THR 6 HA THR 6 -5.280 -1.017 4.001 45 HB THR 6 HB THR 6 -4.543 0.528 5.843 46 HG1 THR 6 1HG THR 6 -5.452 0.093 7.708 47 1HG2 THR 6 1HG2 THR 6 -5.644 1.935 4.499 48 2HG2 THR 6 2HG2 THR 6 -7.023 1.754 5.584 49 3HG2 THR 6 3HG2 THR 6 -6.889 0.736 4.150 50 H TRP 7 H TRP 7 -3.254 -1.782 4.218 51 HA TRP 7 HA TRP 7 -2.783 -3.723 6.370 52 1HB TRP 7 1HB TRP 7 -0.814 -4.378 4.833 53 2HB TRP 7 2HB TRP 7 -2.445 -4.803 4.319 54 HD1 TRP 7 1HD TRP 7 -3.564 -2.973 2.484 55 HE1 TRP 7 1HE TRP 7 -2.395 -1.817 0.504 56 HE3 TRP 7 3HE TRP 7 1.294 -3.519 3.978 57 HZ2 TRP 7 2HZ TRP 7 0.238 -1.215 -0.316 58 HZ3 TRP 7 3HZ TRP 7 3.078 -2.625 2.538 59 HH2 TRP 7 2HH TRP 7 2.559 -1.497 0.436 60 H ASP 8 H ASP 8 -1.078 -3.549 7.754 61 HA ASP 8 HA ASP 8 0.320 -0.978 7.749 62 1HB ASP 8 1HB ASP 8 0.225 -3.059 9.940 63 2HB ASP 8 2HB ASP 8 0.809 -1.403 10.077 64 H CYS 9 H CYS 9 2.467 -0.785 7.467 65 HA CYS 9 HA CYS 9 3.944 -2.838 6.264 66 1HB CYS 9 1HB CYS 9 4.295 -0.233 6.310 67 2HB CYS 9 2HB CYS 9 5.319 -0.596 7.696 68 H ASP 10 H ASP 10 6.208 -3.453 7.158 69 HA ASP 10 HA ASP 10 6.026 -4.121 10.013 70 1HB ASP 10 1HB ASP 10 6.652 -6.389 9.644 71 2HB ASP 10 2HB ASP 10 5.327 -6.054 8.533 72 H THR 11 H THR 11 7.658 -2.435 7.864 73 HA THR 11 HA THR 11 10.263 -2.984 9.126 74 HB THR 11 HB THR 11 9.652 -2.417 6.239 75 HG1 THR 11 1HG THR 11 11.364 -4.277 7.565 76 1HG2 THR 11 1HG2 THR 11 11.297 -0.817 6.479 77 2HG2 THR 11 2HG2 THR 11 12.266 -2.248 6.125 78 3HG2 THR 11 3HG3 THR 11 12.099 -1.686 7.789 79 H CYS 12 H CYS 12 8.520 -0.510 7.234 80 HA CYS 12 HA CYS 12 9.988 1.589 8.623 81 1HB CYS 12 1HB CYS 12 9.401 2.999 6.905 82 2HB CYS 12 2HB CYS 12 9.353 1.455 6.059 83 H LEU 13 H LEU 13 6.989 -0.031 8.789 84 HA LEU 13 HA LEU 13 5.241 0.159 10.237 85 1HB LEU 13 1HB LEU 13 6.457 2.571 11.507 86 2HB LEU 13 2HB LEU 13 5.495 1.289 12.238 87 HG LEU 13 HG LEU 13 8.383 1.101 11.382 88 1HD1 LEU 13 1HD1 LEU 13 6.999 1.420 14.014 89 2HD1 LEU 13 2HD1 LEU 13 8.396 2.283 13.373 90 3HD1 LEU 13 3HD1 LEU 13 8.563 0.612 13.913 91 1HD2 LEU 13 1HD2 LEU 13 8.373 -1.130 11.812 92 2HD2 LEU 13 2HD2 LEU 13 6.711 -0.960 11.247 93 3HD2 LEU 13 3HD2 LEU 13 7.054 -1.016 12.977 94 H VAL 14 H VAL 14 4.195 0.857 8.201 95 HA VAL 14 HA VAL 14 2.883 3.417 8.615 96 HB VAL 14 HB VAL 14 4.385 2.779 6.075 97 1HG1 VAL 14 1HG1 VAL 14 2.582 3.746 5.107 98 2HG1 VAL 14 2HG1 VAL 14 2.081 4.557 6.592 99 3HG1 VAL 14 3HG1 VAL 14 3.392 5.225 5.619 100 1HG2 VAL 14 1HG2 VAL 14 5.646 4.742 6.517 101 2HG2 VAL 14 2HG2 VAL 14 4.578 5.213 7.839 102 3HG2 VAL 14 3HG2 VAL 14 5.626 3.805 8.011 103 H GLN 15 H GLN 15 0.776 3.298 8.139 104 HA GLN 15 HA GLN 15 -0.276 0.818 7.098 105 1HB GLN 15 1HB GLN 15 -1.656 3.334 8.048 106 2HB GLN 15 2HB GLN 15 -2.486 1.858 7.573 107 1HG GLN 15 1HG GLN 15 -1.130 0.691 9.368 108 2HG GLN 15 2HG GLN 15 -0.686 2.302 9.931 109 1HE2 GLN 15 2HE2 GLN 15 -3.549 0.405 9.043 110 2HE2 GLN 15 1HE2 GLN 15 -4.563 1.031 10.295 111 H ASN 16 H ASN 16 -1.589 0.592 5.263 112 HA ASN 16 HA ASN 16 -1.782 2.837 3.417 113 1HB ASN 16 1HB ASN 16 -0.746 0.287 2.261 114 2HB ASN 16 2HB ASN 16 -0.527 1.942 1.702 115 1HD2 ASN 16 2HD2 ASN 16 0.299 -0.155 4.437 116 2HD2 ASN 16 1HD2 ASN 16 1.894 0.473 4.657 117 H LYS 17 H LYS 17 -3.209 2.386 1.588 118 HA LYS 17 HA LYS 17 -5.493 0.861 2.422 119 1HB LYS 17 1HB LYS 17 -6.620 1.812 0.576 120 2HB LYS 17 2HB LYS 17 -5.539 3.070 1.162 121 1HG LYS 17 1HG LYS 17 -3.994 2.658 -0.623 122 2HG LYS 17 2HG LYS 17 -4.916 1.250 -1.153 123 1HD LYS 17 1HD LYS 17 -6.729 2.597 -1.873 124 2HD LYS 17 2HD LYS 17 -6.082 4.025 -1.059 125 1HE LYS 17 1HE LYS 17 -4.483 4.382 -2.671 126 2HE LYS 17 2HE LYS 17 -4.438 2.687 -3.155 127 1HZ LYS 17 1HZ LYS 17 -6.894 3.262 -3.878 128 2HZ LYS 17 2HZ LYS 17 -5.576 3.543 -4.899 129 3HZ LYS 17 3HZ LYS 17 -6.242 4.818 -4.011 130 HA PRO 18 HA PRO 18 -4.673 -2.945 0.386 131 1HB PRO 18 1HB PRO 18 -7.206 -3.770 -0.132 132 2HB PRO 18 2HB PRO 18 -6.509 -3.775 1.491 133 1HG PRO 18 1HG PRO 18 -8.340 -1.775 0.224 134 2HG PRO 18 2HG PRO 18 -8.385 -2.453 1.862 135 1HD PRO 18 1HD PRO 18 -7.366 -0.002 1.328 136 2HD PRO 18 2HD PRO 18 -6.741 -1.034 2.632 137 H GLU 19 H GLU 19 -6.135 -0.313 -1.188 138 HA GLU 19 HA GLU 19 -6.427 -1.649 -3.747 139 1HB GLU 19 1HB GLU 19 -6.575 1.318 -3.478 140 2HB GLU 19 2HB GLU 19 -7.532 0.236 -4.480 141 1HG GLU 19 1HG GLU 19 -8.583 -0.593 -2.325 142 2HG GLU 19 2HG GLU 19 -7.822 0.795 -1.548 143 H ALA 20 H ALA 20 -3.913 -0.334 -2.017 144 HA ALA 20 HA ALA 20 -2.482 0.803 -4.269 145 1HB ALA 20 1HB ALA 20 -1.577 0.336 -1.429 146 2HB ALA 20 2HB ALA 20 -0.713 1.264 -2.656 147 3HB ALA 20 3HB ALA 20 -2.273 1.829 -2.059 148 H ILE 21 H ILE 21 -0.115 0.082 -4.504 149 HA ILE 21 HA ILE 21 -0.076 -2.859 -4.640 150 HB ILE 21 HB ILE 21 1.372 -2.723 -6.526 151 1HG1 ILE 21 1HG1 ILE 21 1.629 0.147 -5.715 152 2HG1 ILE 21 2HG1 ILE 21 2.888 -1.007 -6.139 153 1HG2 ILE 21 1HG2 ILE 21 -0.639 -0.552 -7.032 154 2HG2 ILE 21 2HG2 ILE 21 -0.059 -1.797 -8.137 155 3HG2 ILE 21 3HG2 ILE 21 -1.116 -2.233 -6.795 156 1HD1 ILE 21 1HD1 ILE 21 0.955 0.231 -8.083 157 2HD1 ILE 21 2HD1 ILE 21 2.616 0.760 -7.813 158 3HD1 ILE 21 3HD1 ILE 21 2.298 -0.845 -8.472 159 H LYS 22 H LYS 22 1.357 -0.154 -3.186 160 HA LYS 22 HA LYS 22 3.248 -1.812 -1.787 161 1HB LYS 22 1HB LYS 22 5.167 -0.218 -2.375 162 2HB LYS 22 2HB LYS 22 4.706 -1.410 -3.583 163 1HG LYS 22 1HG LYS 22 3.342 0.345 -4.701 164 2HG LYS 22 2HG LYS 22 4.000 1.515 -3.555 165 1HD LYS 22 1HD LYS 22 5.326 1.689 -5.505 166 2HD LYS 22 2HD LYS 22 6.295 0.790 -4.335 167 1HE LYS 22 1HE LYS 22 6.596 -0.623 -6.065 168 2HE LYS 22 2HE LYS 22 5.021 -1.241 -5.570 169 1HZ LYS 22 1HZ LYS 22 5.759 0.087 -7.979 170 2HZ LYS 22 2HZ LYS 22 4.461 0.867 -7.226 171 3HZ LYS 22 3HZ LYS 22 4.349 -0.775 -7.618 172 H CYS 23 H CYS 23 4.586 -0.389 -0.235 173 HA CYS 23 HA CYS 23 2.834 1.013 1.425 174 1HB CYS 23 1HB CYS 23 5.237 -0.024 1.833 175 2HB CYS 23 2HB CYS 23 5.755 1.628 1.518 176 H VAL 24 H VAL 24 2.984 3.289 2.096 177 HA VAL 24 HA VAL 24 3.425 5.034 -0.236 178 HB VAL 24 HB VAL 24 1.075 4.821 0.742 179 1HG1 VAL 24 1HG1 VAL 24 1.613 6.862 2.745 180 2HG1 VAL 24 2HG1 VAL 24 0.633 5.398 2.853 181 3HG1 VAL 24 3HG1 VAL 24 2.374 5.316 3.120 182 1HG2 VAL 24 1HG2 VAL 24 0.555 6.967 0.078 183 2HG2 VAL 24 2HG2 VAL 24 1.992 7.663 0.828 184 3HG2 VAL 24 2HG3 VAL 24 2.137 6.743 -0.671 185 H ALA 25 H ALA 25 5.332 4.157 1.944 186 HA ALA 25 HA ALA 25 6.305 6.846 2.572 187 1HB ALA 25 1HB ALA 25 5.863 6.668 4.738 188 2HB ALA 25 2HB ALA 25 5.204 5.050 4.499 189 3HB ALA 25 3HB ALA 25 6.924 5.262 4.819 190 H CYS 26 H CYS 26 6.988 3.362 2.643 191 HA CYS 26 HA CYS 26 9.825 3.971 2.150 192 1HB CYS 26 1HB CYS 26 10.394 1.891 3.126 193 2HB CYS 26 2HB CYS 26 9.163 2.579 4.181 194 H GLU 27 H GLU 27 6.998 2.817 0.704 195 HA GLU 27 HA GLU 27 6.573 2.090 -1.417 196 1HB GLU 27 1HB GLU 27 9.505 2.013 -2.042 197 2HB GLU 27 2HB GLU 27 8.154 2.367 -3.111 198 1HG GLU 27 1HG GLU 27 7.849 4.446 -1.569 199 2HG GLU 27 2HG GLU 27 9.532 4.136 -1.150 200 H THR 28 H THR 28 6.746 0.263 0.643 201 HA THR 28 HA THR 28 8.391 -1.972 -0.083 202 HB THR 28 HB THR 28 6.802 -1.244 2.164 203 HG1 THR 28 1HG THR 28 8.934 -2.066 2.241 204 1HG2 THR 28 1HG2 THR 28 6.210 -4.037 1.183 205 2HG2 THR 28 2HG2 THR 28 5.069 -2.694 1.105 206 3HG2 THR 28 3HG2 THR 28 5.632 -3.285 2.668 207 HA PRO 29 HA PRO 29 5.769 -3.881 -3.059 208 1HB PRO 29 1HB PRO 29 6.587 -6.455 -2.780 209 2HB PRO 29 2HB PRO 29 7.569 -5.215 -3.570 210 1HG PRO 29 1HG PRO 29 7.745 -6.275 -0.776 211 2HG PRO 29 2HG PRO 29 9.050 -5.916 -1.920 212 1HD PRO 29 1HD PRO 29 8.370 -4.234 0.089 213 2HD PRO 29 2HD PRO 29 8.994 -3.655 -1.469 214 H LYS 30 H LYS 30 3.649 -4.011 -2.640 215 HA LYS 30 HA LYS 30 2.425 -4.904 -0.327 216 1HB LYS 30 1HB LYS 30 1.163 -3.624 -1.900 217 2HB LYS 30 2HB LYS 30 1.419 -4.813 -3.170 218 1HG LYS 30 1HG LYS 30 0.153 -6.407 -1.538 219 2HG LYS 30 2HG LYS 30 -0.438 -4.896 -0.842 220 1HD LYS 30 1HD LYS 30 -0.832 -4.402 -3.465 221 2HD LYS 30 2HD LYS 30 -1.039 -6.156 -3.442 222 1HE LYS 30 1HE LYS 30 -2.865 -6.048 -2.016 223 2HE LYS 30 2HE LYS 30 -2.426 -4.450 -1.414 224 1HZ LYS 30 1HZ LYS 30 -3.573 -3.462 -3.027 225 2HZ LYS 30 2HZ LYS 30 -4.296 -4.965 -3.310 226 3HZ LYS 30 3HZ LYS 30 -2.963 -4.481 -4.232 227 HA PRO 31 HA PRO 31 2.811 -9.289 -0.378 228 1HB PRO 31 1HB PRO 31 0.698 -9.922 1.204 229 2HB PRO 31 2HB PRO 31 2.192 -9.218 1.834 230 1HG PRO 31 1HG PRO 31 -0.410 -7.883 1.198 231 2HG PRO 31 2HG PRO 31 0.652 -7.652 2.598 232 1HD PRO 31 1HD PRO 31 0.616 -5.941 0.500 233 2HD PRO 31 2HD PRO 31 2.086 -6.267 1.442 Start of MODEL 11 1 1H GLY 0 1H GLY 0 -15.521 -7.584 -9.464 2 1HA GLY 0 1HA GLY 0 -14.391 -6.067 -8.164 3 2HA GLY 0 2HA GLY 0 -15.404 -6.591 -6.826 4 H HIS 1 H HIS 1 -13.444 -6.221 -5.554 5 HA HIS 1 HA HIS 1 -11.787 -8.642 -5.513 6 1HB HIS 1 1HB HIS 1 -9.787 -7.271 -5.006 7 2HB HIS 1 2HB HIS 1 -10.431 -6.952 -6.614 8 HD1 HIS 1 HD1 HIS 1 -9.127 -5.213 -3.832 9 HD2 HIS 1 HD2 HIS 1 -12.303 -4.544 -6.425 10 HE1 HIS 1 HE1 HIS 1 -9.641 -2.759 -3.645 11 H MET 2 H MET 2 -11.474 -9.481 -3.530 12 HA MET 2 HA MET 2 -13.025 -8.758 -1.364 13 1HB MET 2 1HB MET 2 -11.827 -10.345 -0.101 14 2HB MET 2 2HB MET 2 -11.747 -10.931 -1.757 15 1HG MET 2 1HG MET 2 -9.564 -9.304 -0.493 16 2HG MET 2 2HG MET 2 -9.621 -11.064 -0.423 17 1HE MET 2 1HE MET 2 -6.830 -9.837 -3.079 18 2HE MET 2 2HE MET 2 -7.513 -8.655 -1.962 19 3HE MET 2 3HE MET 2 -7.082 -10.267 -1.388 20 H VAL 3 H VAL 3 -12.769 -7.491 0.425 21 HA VAL 3 HA VAL 3 -10.408 -5.727 0.443 22 HB VAL 3 HB VAL 3 -13.290 -5.186 1.005 23 1HG1 VAL 3 1HG1 VAL 3 -12.661 -3.108 2.189 24 2HG1 VAL 3 2HG1 VAL 3 -12.242 -4.567 3.090 25 3HG1 VAL 3 3HG1 VAL 3 -10.990 -3.669 2.230 26 1HG2 VAL 3 1HG2 VAL 3 -11.523 -4.523 -1.014 27 2HG2 VAL 3 2HG2 VAL 3 -13.092 -3.775 -0.714 28 3HG2 VAL 3 3HG2 VAL 3 -11.629 -3.050 -0.049 29 H ILE 4 H ILE 4 -9.059 -6.129 2.057 30 HA ILE 4 HA ILE 4 -10.090 -7.370 4.509 31 HB ILE 4 HB ILE 4 -7.172 -7.043 3.900 32 1HG1 ILE 4 1HG1 ILE 4 -7.491 -9.504 3.007 33 2HG1 ILE 4 2HG1 ILE 4 -9.118 -8.940 2.646 34 1HG2 ILE 4 1HG2 ILE 4 -8.142 -7.836 6.134 35 2HG2 ILE 4 2HG2 ILE 4 -8.553 -9.323 5.278 36 3HG2 ILE 4 3HG2 ILE 4 -6.869 -8.812 5.399 37 1HD1 ILE 4 1HD1 ILE 4 -6.811 -8.632 1.100 38 2HD1 ILE 4 2HD1 ILE 4 -8.407 -7.937 0.812 39 3HD1 ILE 4 3HD1 ILE 4 -7.201 -7.028 1.722 40 H GLY 5 H GLY 5 -8.870 -4.426 3.271 41 1HA GLY 5 1HA GLY 5 -9.164 -2.416 4.567 42 2HA GLY 5 2HA GLY 5 -8.782 -3.344 6.010 43 H THR 6 H THR 6 -7.566 -0.892 5.302 44 HA THR 6 HA THR 6 -5.207 -0.887 3.954 45 HB THR 6 HB THR 6 -4.336 0.714 5.696 46 HG1 THR 6 1HG THR 6 -5.233 0.384 7.596 47 1HG2 THR 6 1HG2 THR 6 -5.384 2.111 4.301 48 2HG2 THR 6 2HG2 THR 6 -6.760 2.051 5.403 49 3HG2 THR 6 3HG2 THR 6 -6.688 0.956 4.022 50 H TRP 7 H TRP 7 -3.277 -1.848 4.094 51 HA TRP 7 HA TRP 7 -2.830 -3.716 6.293 52 1HB TRP 7 1HB TRP 7 -0.834 -4.378 4.784 53 2HB TRP 7 2HB TRP 7 -2.460 -4.784 4.245 54 HD1 TRP 7 1HD TRP 7 -3.529 -3.034 2.352 55 HE1 TRP 7 1HE TRP 7 -2.327 -1.832 0.419 56 HE3 TRP 7 3HE TRP 7 1.281 -3.387 4.046 57 HZ2 TRP 7 2HZ TRP 7 0.313 -1.127 -0.293 58 HZ3 TRP 7 3HZ TRP 7 3.086 -2.424 2.679 59 HH2 TRP 7 2HH TRP 7 2.611 -1.318 0.555 60 H ASP 8 H ASP 8 -1.211 -3.548 7.756 61 HA ASP 8 HA ASP 8 0.225 -1.009 7.833 62 1HB ASP 8 1HB ASP 8 0.037 -3.197 9.914 63 2HB ASP 8 2HB ASP 8 0.763 -1.609 10.147 64 H CYS 9 H CYS 9 2.339 -0.800 7.445 65 HA CYS 9 HA CYS 9 3.828 -2.856 6.252 66 1HB CYS 9 1HB CYS 9 4.132 -0.271 6.157 67 2HB CYS 9 2HB CYS 9 5.138 -0.504 7.582 68 H ASP 10 H ASP 10 6.000 -3.600 7.045 69 HA ASP 10 HA ASP 10 6.004 -4.055 9.951 70 1HB ASP 10 1HB ASP 10 6.492 -6.364 9.697 71 2HB ASP 10 2HB ASP 10 5.135 -6.039 8.621 72 H THR 11 H THR 11 7.530 -2.437 7.770 73 HA THR 11 HA THR 11 10.207 -3.116 8.793 74 HB THR 11 HB THR 11 9.329 -2.746 5.983 75 HG1 THR 11 1HG THR 11 10.086 -4.760 6.779 76 1HG2 THR 11 1HG2 THR 11 10.668 -0.825 6.010 77 2HG2 THR 11 2HG2 THR 11 11.759 -2.092 5.447 78 3HG2 THR 11 3HG3 THR 11 11.833 -1.543 7.121 79 H CYS 12 H CYS 12 8.139 -0.610 7.376 80 HA CYS 12 HA CYS 12 9.839 1.428 8.653 81 1HB CYS 12 1HB CYS 12 9.361 2.897 6.946 82 2HB CYS 12 2HB CYS 12 9.289 1.372 6.070 83 H LEU 13 H LEU 13 6.951 -0.197 8.980 84 HA LEU 13 HA LEU 13 5.130 0.072 10.315 85 1HB LEU 13 1HB LEU 13 7.111 1.949 11.491 86 2HB LEU 13 2HB LEU 13 5.437 2.072 12.026 87 HG LEU 13 HG LEU 13 5.716 -0.512 12.433 88 1HD1 LEU 13 1HD1 LEU 13 7.969 -0.598 11.430 89 2HD1 LEU 13 2HD1 LEU 13 7.944 -1.138 13.108 90 3HD1 LEU 13 3HD1 LEU 13 8.553 0.468 12.709 91 1HD2 LEU 13 1HD2 LEU 13 6.123 -0.059 14.707 92 2HD2 LEU 13 2HD2 LEU 13 5.309 1.377 14.082 93 3HD2 LEU 13 3HD2 LEU 13 7.055 1.391 14.336 94 H VAL 14 H VAL 14 3.952 0.726 8.415 95 HA VAL 14 HA VAL 14 2.701 3.297 8.767 96 HB VAL 14 HB VAL 14 4.405 2.745 6.350 97 1HG1 VAL 14 1HG1 VAL 14 1.887 4.303 6.542 98 2HG1 VAL 14 2HG1 VAL 14 3.215 5.002 5.613 99 3HG1 VAL 14 3HG1 VAL 14 2.572 3.418 5.180 100 1HG2 VAL 14 1HG2 VAL 14 4.169 5.004 8.324 101 2HG2 VAL 14 2HG2 VAL 14 5.560 3.963 8.020 102 3HG2 VAL 14 3HG2 VAL 14 5.062 5.145 6.809 103 H GLN 15 H GLN 15 0.617 3.223 8.156 104 HA GLN 15 HA GLN 15 -0.390 0.744 7.054 105 1HB GLN 15 1HB GLN 15 -1.869 3.228 7.938 106 2HB GLN 15 2HB GLN 15 -2.607 1.686 7.527 107 1HG GLN 15 1HG GLN 15 -1.227 0.681 9.391 108 2HG GLN 15 2HG GLN 15 -0.856 2.334 9.875 109 1HE2 GLN 15 2HE2 GLN 15 -2.969 3.736 9.892 110 2HE2 GLN 15 1HE2 GLN 15 -4.274 3.040 10.784 111 H ASN 16 H ASN 16 -1.532 0.509 5.141 112 HA ASN 16 HA ASN 16 -1.708 2.806 3.345 113 1HB ASN 16 1HB ASN 16 -0.618 0.276 2.190 114 2HB ASN 16 2HB ASN 16 -0.393 1.940 1.657 115 1HD2 ASN 16 2HD2 ASN 16 0.316 -0.113 4.463 116 2HD2 ASN 16 1HD2 ASN 16 1.911 0.497 4.720 117 H LYS 17 H LYS 17 -3.272 2.610 1.728 118 HA LYS 17 HA LYS 17 -5.525 1.056 2.362 119 1HB LYS 17 1HB LYS 17 -6.561 2.040 0.515 120 2HB LYS 17 2HB LYS 17 -5.362 3.235 0.989 121 1HG LYS 17 1HG LYS 17 -3.925 2.630 -0.798 122 2HG LYS 17 2HG LYS 17 -4.885 1.198 -1.169 123 1HD LYS 17 1HD LYS 17 -5.700 2.596 -2.771 124 2HD LYS 17 2HD LYS 17 -6.793 3.025 -1.453 125 1HE LYS 17 1HE LYS 17 -5.230 4.879 -0.864 126 2HE LYS 17 2HE LYS 17 -4.304 4.494 -2.315 127 1HZ LYS 17 1HZ LYS 17 -5.855 5.398 -3.652 128 2HZ LYS 17 2HZ LYS 17 -6.261 6.281 -2.268 129 3HZ LYS 17 3HZ LYS 17 -7.157 4.910 -2.688 130 HA PRO 18 HA PRO 18 -4.684 -2.839 0.501 131 1HB PRO 18 1HB PRO 18 -7.223 -3.671 0.015 132 2HB PRO 18 2HB PRO 18 -6.523 -3.618 1.638 133 1HG PRO 18 1HG PRO 18 -8.345 -1.657 0.296 134 2HG PRO 18 2HG PRO 18 -8.392 -2.273 1.959 135 1HD PRO 18 1HD PRO 18 -7.360 0.151 1.332 136 2HD PRO 18 2HD PRO 18 -6.740 -0.833 2.673 137 H GLU 19 H GLU 19 -6.147 -0.264 -1.170 138 HA GLU 19 HA GLU 19 -6.433 -1.698 -3.678 139 1HB GLU 19 1HB GLU 19 -8.100 -0.104 -3.512 140 2HB GLU 19 2HB GLU 19 -7.050 1.065 -2.724 141 1HG GLU 19 1HG GLU 19 -7.663 1.766 -4.975 142 2HG GLU 19 2HG GLU 19 -5.926 1.513 -4.821 143 H ALA 20 H ALA 20 -3.925 -0.315 -1.998 144 HA ALA 20 HA ALA 20 -2.499 0.763 -4.278 145 1HB ALA 20 1HB ALA 20 -0.694 1.187 -2.653 146 2HB ALA 20 2HB ALA 20 -2.239 1.869 -2.144 147 3HB ALA 20 3HB ALA 20 -1.649 0.378 -1.411 148 H ILE 21 H ILE 21 -0.121 0.035 -4.485 149 HA ILE 21 HA ILE 21 -0.074 -2.911 -4.525 150 HB ILE 21 HB ILE 21 0.957 -2.931 -6.560 151 1HG1 ILE 21 1HG1 ILE 21 2.071 -0.221 -5.838 152 2HG1 ILE 21 2HG1 ILE 21 2.948 -1.734 -6.032 153 1HG2 ILE 21 1HG2 ILE 21 -0.600 -0.357 -6.524 154 2HG2 ILE 21 2HG2 ILE 21 0.023 -1.089 -8.001 155 3HG2 ILE 21 3HG2 ILE 21 -1.155 -1.957 -7.018 156 1HD1 ILE 21 1HD1 ILE 21 3.469 -0.686 -7.987 157 2HD1 ILE 21 2HD1 ILE 21 2.029 -1.575 -8.483 158 3HD1 ILE 21 3HD1 ILE 21 1.915 0.139 -8.089 159 H LYS 22 H LYS 22 1.331 -0.157 -3.191 160 HA LYS 22 HA LYS 22 3.377 -1.739 -1.903 161 1HB LYS 22 1HB LYS 22 5.206 -0.162 -2.519 162 2HB LYS 22 2HB LYS 22 4.602 -1.106 -3.875 163 1HG LYS 22 1HG LYS 22 3.179 0.860 -4.493 164 2HG LYS 22 2HG LYS 22 4.039 1.782 -3.257 165 1HD LYS 22 1HD LYS 22 4.964 2.096 -5.537 166 2HD LYS 22 2HD LYS 22 6.137 1.441 -4.392 167 1HE LYS 22 1HE LYS 22 6.102 -0.659 -5.361 168 2HE LYS 22 2HE LYS 22 4.513 -0.412 -6.084 169 1HZ LYS 22 1HZ LYS 22 6.957 1.035 -6.945 170 2HZ LYS 22 2HZ LYS 22 5.449 1.030 -7.709 171 3HZ LYS 22 3HZ LYS 22 6.389 -0.376 -7.688 172 H CYS 23 H CYS 23 4.790 -0.066 -0.516 173 HA CYS 23 HA CYS 23 2.909 1.181 1.244 174 1HB CYS 23 1HB CYS 23 5.245 0.029 1.725 175 2HB CYS 23 2HB CYS 23 5.845 1.668 1.488 176 H VAL 24 H VAL 24 2.934 3.405 1.906 177 HA VAL 24 HA VAL 24 3.598 5.207 -0.317 178 HB VAL 24 HB VAL 24 1.217 5.067 0.560 179 1HG1 VAL 24 1HG1 VAL 24 2.357 6.680 2.836 180 2HG1 VAL 24 2HG1 VAL 24 0.668 6.230 2.590 181 3HG1 VAL 24 3HG1 VAL 24 1.869 4.991 2.958 182 1HG2 VAL 24 1HG2 VAL 24 2.784 7.283 -0.274 183 2HG2 VAL 24 2HG2 VAL 24 1.060 7.001 -0.518 184 3HG2 VAL 24 2HG3 VAL 24 1.619 7.852 0.922 185 H ALA 25 H ALA 25 5.348 4.185 1.979 186 HA ALA 25 HA ALA 25 6.401 6.827 2.705 187 1HB ALA 25 1HB ALA 25 5.657 4.613 4.563 188 2HB ALA 25 2HB ALA 25 7.003 5.678 4.966 189 3HB ALA 25 3HB ALA 25 5.391 6.349 4.719 190 H CYS 26 H CYS 26 7.006 3.329 2.624 191 HA CYS 26 HA CYS 26 9.861 3.903 2.183 192 1HB CYS 26 1HB CYS 26 10.397 1.802 3.132 193 2HB CYS 26 2HB CYS 26 9.174 2.496 4.193 194 H GLU 27 H GLU 27 7.039 2.898 0.670 195 HA GLU 27 HA GLU 27 6.609 2.181 -1.450 196 1HB GLU 27 1HB GLU 27 9.568 2.114 -1.995 197 2HB GLU 27 2HB GLU 27 8.253 2.375 -3.131 198 1HG GLU 27 1HG GLU 27 8.938 4.512 -2.940 199 2HG GLU 27 2HG GLU 27 7.848 4.481 -1.555 200 H THR 28 H THR 28 6.967 0.347 0.711 201 HA THR 28 HA THR 28 8.485 -1.914 -0.125 202 HB THR 28 HB THR 28 6.742 -1.244 2.121 203 HG1 THR 28 1HG THR 28 8.291 -2.776 3.093 204 1HG2 THR 28 1HG2 THR 28 5.295 -2.972 1.444 205 2HG2 THR 28 2HG2 THR 28 6.362 -3.721 2.632 206 3HG2 THR 28 3HG2 THR 28 6.629 -3.995 0.911 207 HA PRO 29 HA PRO 29 5.736 -3.775 -3.013 208 1HB PRO 29 1HB PRO 29 6.516 -6.363 -2.766 209 2HB PRO 29 2HB PRO 29 7.494 -5.140 -3.584 210 1HG PRO 29 1HG PRO 29 7.739 -6.209 -0.799 211 2HG PRO 29 2HG PRO 29 9.015 -5.870 -1.984 212 1HD PRO 29 1HD PRO 29 8.429 -4.182 0.051 213 2HD PRO 29 2HD PRO 29 9.012 -3.611 -1.526 214 H LYS 30 H LYS 30 3.629 -3.836 -2.497 215 HA LYS 30 HA LYS 30 2.460 -4.713 -0.162 216 1HB LYS 30 1HB LYS 30 1.169 -3.426 -1.702 217 2HB LYS 30 2HB LYS 30 1.376 -4.620 -2.976 218 1HG LYS 30 1HG LYS 30 0.137 -6.194 -1.298 219 2HG LYS 30 2HG LYS 30 -0.423 -4.671 -0.603 220 1HD LYS 30 1HD LYS 30 -0.951 -4.124 -3.136 221 2HD LYS 30 2HD LYS 30 -1.008 -5.884 -3.257 222 1HE LYS 30 1HE LYS 30 -3.209 -5.309 -2.780 223 2HE LYS 30 2HE LYS 30 -2.559 -5.757 -1.204 224 1HZ LYS 30 1HZ LYS 30 -3.367 -3.139 -2.206 225 2HZ LYS 30 2HZ LYS 30 -2.031 -3.180 -1.170 226 3HZ LYS 30 3HZ LYS 30 -3.519 -3.798 -0.655 227 HA PRO 31 HA PRO 31 2.776 -9.104 -0.190 228 1HB PRO 31 1HB PRO 31 0.698 -9.694 1.454 229 2HB PRO 31 2HB PRO 31 2.219 -9.008 2.036 230 1HG PRO 31 1HG PRO 31 -0.379 -7.637 1.463 231 2HG PRO 31 2HG PRO 31 0.725 -7.414 2.832 232 1HD PRO 31 1HD PRO 31 0.657 -5.717 0.723 233 2HD PRO 31 2HD PRO 31 2.147 -6.058 1.626 Start of MODEL 12 1 1H GLY 0 1H GLY 0 -17.152 -4.029 8.209 2 1HA GLY 0 1HA GLY 0 -19.673 -2.642 8.389 3 2HA GLY 0 2HA GLY 0 -18.087 -1.978 8.753 4 H HIS 1 H HIS 1 -20.253 -0.736 7.280 5 HA HIS 1 HA HIS 1 -20.270 -0.702 4.608 6 1HB HIS 1 1HB HIS 1 -19.988 1.746 6.362 7 2HB HIS 1 2HB HIS 1 -20.521 1.771 4.684 8 HD1 HIS 1 HD1 HIS 1 -22.469 2.921 6.574 9 HD2 HIS 1 HD2 HIS 1 -22.331 -1.161 5.813 10 HE1 HIS 1 HE1 HIS 1 -24.740 2.042 7.201 11 H MET 2 H MET 2 -17.884 1.266 6.394 12 HA MET 2 HA MET 2 -16.304 1.886 4.169 13 1HB MET 2 1HB MET 2 -14.816 2.852 5.656 14 2HB MET 2 2HB MET 2 -16.308 2.864 6.587 15 1HG MET 2 1HG MET 2 -13.968 1.007 6.862 16 2HG MET 2 2HG MET 2 -14.603 2.147 8.045 17 1HE MET 2 1HE MET 2 -16.971 0.448 10.056 18 2HE MET 2 2HE MET 2 -15.246 0.122 10.231 19 3HE MET 2 3HE MET 2 -15.796 1.724 9.734 20 H VAL 3 H VAL 3 -13.904 1.225 4.060 21 HA VAL 3 HA VAL 3 -13.776 -1.715 4.182 22 HB VAL 3 HB VAL 3 -12.151 -1.619 2.365 23 1HG1 VAL 3 1HG1 VAL 3 -14.296 0.091 1.271 24 2HG1 VAL 3 2HG1 VAL 3 -13.723 -1.492 0.742 25 3HG1 VAL 3 3HG1 VAL 3 -14.811 -1.363 2.124 26 1HG2 VAL 3 1HG2 VAL 3 -12.127 0.758 1.192 27 2HG2 VAL 3 2HG2 VAL 3 -12.374 1.304 2.851 28 3HG2 VAL 3 3HG2 VAL 3 -10.962 0.328 2.445 29 H ILE 4 H ILE 4 -12.795 -2.137 6.093 30 HA ILE 4 HA ILE 4 -10.408 -0.632 6.848 31 HB ILE 4 HB ILE 4 -10.598 -2.283 8.887 32 1HG1 ILE 4 1HG1 ILE 4 -13.483 -2.195 8.014 33 2HG1 ILE 4 2HG1 ILE 4 -12.438 -3.567 7.655 34 1HG2 ILE 4 1HG2 ILE 4 -12.332 0.105 8.327 35 2HG2 ILE 4 2HG2 ILE 4 -12.285 -0.677 9.905 36 3HG2 ILE 4 3HG2 ILE 4 -10.819 0.032 9.230 37 1HD1 ILE 4 1HD1 ILE 4 -12.198 -2.973 10.417 38 2HD1 ILE 4 2HD1 ILE 4 -13.911 -3.037 10.005 39 3HD1 ILE 4 3HD1 ILE 4 -12.866 -4.412 9.647 40 H GLY 5 H GLY 5 -9.756 -1.950 4.660 41 1HA GLY 5 1HA GLY 5 -8.564 -4.515 5.453 42 2HA GLY 5 2HA GLY 5 -8.762 -3.941 3.803 43 H THR 6 H THR 6 -7.714 -1.265 5.122 44 HA THR 6 HA THR 6 -5.294 -1.038 4.004 45 HB THR 6 HB THR 6 -4.608 0.484 5.888 46 HG1 THR 6 1HG THR 6 -5.617 -0.435 7.645 47 1HG2 THR 6 1HG2 THR 6 -6.980 0.687 4.196 48 2HG2 THR 6 2HG2 THR 6 -5.687 1.854 4.477 49 3HG2 THR 6 3HG2 THR 6 -7.036 1.742 5.607 50 H TRP 7 H TRP 7 -3.268 -1.791 4.228 51 HA TRP 7 HA TRP 7 -2.792 -3.738 6.375 52 1HB TRP 7 1HB TRP 7 -0.816 -4.379 4.841 53 2HB TRP 7 2HB TRP 7 -2.442 -4.815 4.325 54 HD1 TRP 7 1HD TRP 7 -3.573 -2.959 2.507 55 HE1 TRP 7 1HE TRP 7 -2.408 -1.807 0.522 56 HE3 TRP 7 3HE TRP 7 1.290 -3.552 3.964 57 HZ2 TRP 7 2HZ TRP 7 0.225 -1.227 -0.316 58 HZ3 TRP 7 3HZ TRP 7 3.073 -2.671 2.515 59 HH2 TRP 7 2HH TRP 7 2.549 -1.534 0.419 60 H ASP 8 H ASP 8 -1.081 -3.561 7.755 61 HA ASP 8 HA ASP 8 0.302 -0.979 7.751 62 1HB ASP 8 1HB ASP 8 0.506 -2.942 10.001 63 2HB ASP 8 2HB ASP 8 0.540 -1.181 10.048 64 H CYS 9 H CYS 9 2.456 -0.779 7.500 65 HA CYS 9 HA CYS 9 3.942 -2.843 6.313 66 1HB CYS 9 1HB CYS 9 4.272 -0.231 6.327 67 2HB CYS 9 2HB CYS 9 5.312 -0.576 7.705 68 H ASP 10 H ASP 10 6.168 -3.497 7.195 69 HA ASP 10 HA ASP 10 5.997 -4.102 10.068 70 1HB ASP 10 1HB ASP 10 5.399 -6.020 8.377 71 2HB ASP 10 2HB ASP 10 7.146 -6.116 8.174 72 H THR 11 H THR 11 7.632 -2.447 7.879 73 HA THR 11 HA THR 11 10.237 -2.955 9.165 74 HB THR 11 HB THR 11 9.617 -2.411 6.277 75 HG1 THR 11 1HG THR 11 11.283 -4.113 6.142 76 1HG2 THR 11 1HG2 THR 11 12.045 -1.980 5.941 77 2HG2 THR 11 2HG2 THR 11 12.230 -1.877 7.693 78 3HG2 THR 11 3HG3 THR 11 11.225 -0.705 6.841 79 H CYS 12 H CYS 12 8.583 -0.484 7.186 80 HA CYS 12 HA CYS 12 10.000 1.623 8.592 81 1HB CYS 12 1HB CYS 12 9.384 3.024 6.875 82 2HB CYS 12 2HB CYS 12 9.338 1.476 6.037 83 H LEU 13 H LEU 13 6.985 0.009 8.758 84 HA LEU 13 HA LEU 13 5.259 0.190 10.236 85 1HB LEU 13 1HB LEU 13 6.524 2.602 11.474 86 2HB LEU 13 2HB LEU 13 5.510 1.370 12.224 87 HG LEU 13 HG LEU 13 8.396 1.076 11.398 88 1HD1 LEU 13 1HD1 LEU 13 7.115 1.967 13.799 89 2HD1 LEU 13 2HD1 LEU 13 8.835 1.840 13.431 90 3HD1 LEU 13 3HD1 LEU 13 7.973 0.457 14.103 91 1HD2 LEU 13 1HD2 LEU 13 6.999 -1.004 12.977 92 2HD2 LEU 13 2HD2 LEU 13 8.308 -1.155 11.804 93 3HD2 LEU 13 3HD2 LEU 13 6.648 -0.933 11.251 94 H VAL 14 H VAL 14 4.181 0.874 8.217 95 HA VAL 14 HA VAL 14 2.864 3.429 8.633 96 HB VAL 14 HB VAL 14 4.326 2.803 6.065 97 1HG1 VAL 14 1HG1 VAL 14 3.397 5.220 5.579 98 2HG1 VAL 14 2HG1 VAL 14 2.433 3.784 5.228 99 3HG1 VAL 14 3HG1 VAL 14 2.132 4.712 6.697 100 1HG2 VAL 14 1HG2 VAL 14 5.641 3.764 7.976 101 2HG2 VAL 14 2HG2 VAL 14 5.630 4.746 6.511 102 3HG2 VAL 14 3HG2 VAL 14 4.611 5.191 7.879 103 H GLN 15 H GLN 15 0.758 3.321 8.130 104 HA GLN 15 HA GLN 15 -0.288 0.827 7.111 105 1HB GLN 15 1HB GLN 15 -1.633 3.342 8.104 106 2HB GLN 15 2HB GLN 15 -2.509 1.924 7.546 107 1HG GLN 15 1HG GLN 15 -2.381 1.942 9.955 108 2HG GLN 15 2HG GLN 15 -1.460 0.587 9.303 109 1HE2 GLN 15 2HE2 GLN 15 -1.375 3.442 11.166 110 2HE2 GLN 15 1HE2 GLN 15 0.308 3.414 11.554 111 H ASN 16 H ASN 16 -1.614 0.594 5.282 112 HA ASN 16 HA ASN 16 -1.811 2.827 3.424 113 1HB ASN 16 1HB ASN 16 -0.762 0.277 2.280 114 2HB ASN 16 2HB ASN 16 -0.552 1.932 1.712 115 1HD2 ASN 16 2HD2 ASN 16 0.278 -0.132 4.473 116 2HD2 ASN 16 1HD2 ASN 16 1.872 0.500 4.683 117 H LYS 17 H LYS 17 -3.231 2.357 1.593 118 HA LYS 17 HA LYS 17 -5.506 0.817 2.434 119 1HB LYS 17 1HB LYS 17 -6.657 1.793 0.634 120 2HB LYS 17 2HB LYS 17 -5.535 3.039 1.163 121 1HG LYS 17 1HG LYS 17 -4.099 2.661 -0.675 122 2HG LYS 17 2HG LYS 17 -4.930 1.165 -1.106 123 1HD LYS 17 1HD LYS 17 -5.599 2.906 -2.633 124 2HD LYS 17 2HD LYS 17 -6.966 2.491 -1.598 125 1HE LYS 17 1HE LYS 17 -6.587 4.439 -0.235 126 2HE LYS 17 2HE LYS 17 -5.104 4.812 -1.112 127 1HZ LYS 17 1HZ LYS 17 -7.890 5.183 -1.927 128 2HZ LYS 17 2HZ LYS 17 -6.760 4.821 -3.131 129 3HZ LYS 17 3HZ LYS 17 -6.553 6.192 -2.163 130 HA PRO 18 HA PRO 18 -4.666 -2.973 0.376 131 1HB PRO 18 1HB PRO 18 -7.195 -3.810 -0.149 132 2HB PRO 18 2HB PRO 18 -6.497 -3.820 1.475 133 1HG PRO 18 1HG PRO 18 -8.339 -1.824 0.217 134 2HG PRO 18 2HG PRO 18 -8.381 -2.510 1.851 135 1HD PRO 18 1HD PRO 18 -7.376 -0.051 1.331 136 2HD PRO 18 2HD PRO 18 -6.746 -1.085 2.630 137 H GLU 19 H GLU 19 -6.128 -0.336 -1.186 138 HA GLU 19 HA GLU 19 -6.414 -1.661 -3.753 139 1HB GLU 19 1HB GLU 19 -6.598 1.306 -3.391 140 2HB GLU 19 2HB GLU 19 -7.474 0.265 -4.505 141 1HG GLU 19 1HG GLU 19 -7.904 0.447 -1.532 142 2HG GLU 19 2HG GLU 19 -8.943 1.125 -2.782 143 H ALA 20 H ALA 20 -3.912 -0.341 -2.011 144 HA ALA 20 HA ALA 20 -2.485 0.823 -4.251 145 1HB ALA 20 1HB ALA 20 -1.560 0.325 -1.424 146 2HB ALA 20 2HB ALA 20 -0.726 1.293 -2.640 147 3HB ALA 20 3HB ALA 20 -2.291 1.816 -2.017 148 H ILE 21 H ILE 21 -0.124 0.117 -4.517 149 HA ILE 21 HA ILE 21 -0.071 -2.822 -4.684 150 HB ILE 21 HB ILE 21 0.053 -1.929 -6.876 151 1HG1 ILE 21 1HG1 ILE 21 2.264 -2.647 -7.635 152 2HG1 ILE 21 2HG1 ILE 21 2.889 -2.510 -5.994 153 1HG2 ILE 21 1HG2 ILE 21 1.486 0.210 -5.572 154 2HG2 ILE 21 2HG2 ILE 21 2.326 -0.333 -7.024 155 3HG2 ILE 21 3HG2 ILE 21 0.648 0.199 -7.124 156 1HD1 ILE 21 1HD1 ILE 21 0.918 -4.499 -7.067 157 2HD1 ILE 21 2HD1 ILE 21 2.511 -4.797 -6.372 158 3HD1 ILE 21 3HD1 ILE 21 1.187 -4.254 -5.342 159 H LYS 22 H LYS 22 1.380 -0.114 -3.222 160 HA LYS 22 HA LYS 22 3.242 -1.787 -1.805 161 1HB LYS 22 1HB LYS 22 5.171 -0.177 -2.407 162 2HB LYS 22 2HB LYS 22 4.741 -1.436 -3.557 163 1HG LYS 22 1HG LYS 22 4.927 0.361 -4.950 164 2HG LYS 22 2HG LYS 22 3.207 0.437 -4.561 165 1HD LYS 22 1HD LYS 22 3.639 2.120 -2.866 166 2HD LYS 22 2HD LYS 22 5.376 2.004 -3.162 167 1HE LYS 22 1HE LYS 22 4.660 3.917 -4.335 168 2HE LYS 22 2HE LYS 22 4.865 2.662 -5.557 169 1HZ LYS 22 1HZ LYS 22 2.459 4.007 -4.677 170 2HZ LYS 22 2HZ LYS 22 2.298 2.337 -4.889 171 3HZ LYS 22 3HZ LYS 22 2.823 3.305 -6.172 172 H CYS 23 H CYS 23 4.533 -0.441 -0.202 173 HA CYS 23 HA CYS 23 2.820 1.020 1.420 174 1HB CYS 23 1HB CYS 23 5.212 -0.039 1.837 175 2HB CYS 23 2HB CYS 23 5.746 1.608 1.515 176 H VAL 24 H VAL 24 2.978 3.297 2.073 177 HA VAL 24 HA VAL 24 3.454 5.026 -0.264 178 HB VAL 24 HB VAL 24 1.093 4.792 0.787 179 1HG1 VAL 24 1HG1 VAL 24 2.212 5.284 3.107 180 2HG1 VAL 24 2HG1 VAL 24 1.995 6.967 2.617 181 3HG1 VAL 24 3HG1 VAL 24 0.599 5.895 2.740 182 1HG2 VAL 24 1HG2 VAL 24 2.431 7.412 0.157 183 2HG2 VAL 24 2HG2 VAL 24 1.477 6.391 -0.918 184 3HG2 VAL 24 2HG3 VAL 24 0.691 7.259 0.401 185 H ALA 25 H ALA 25 5.334 4.150 1.938 186 HA ALA 25 HA ALA 25 6.306 6.838 2.574 187 1HB ALA 25 1HB ALA 25 5.626 6.603 4.691 188 2HB ALA 25 2HB ALA 25 5.348 4.871 4.506 189 3HB ALA 25 3HB ALA 25 6.970 5.472 4.852 190 H CYS 26 H CYS 26 6.985 3.354 2.638 191 HA CYS 26 HA CYS 26 9.827 3.962 2.172 192 1HB CYS 26 1HB CYS 26 10.384 1.874 3.143 193 2HB CYS 26 2HB CYS 26 9.152 2.566 4.192 194 H GLU 27 H GLU 27 7.009 2.812 0.700 195 HA GLU 27 HA GLU 27 6.598 2.082 -1.421 196 1HB GLU 27 1HB GLU 27 9.544 2.065 -2.009 197 2HB GLU 27 2HB GLU 27 8.203 2.346 -3.110 198 1HG GLU 27 1HG GLU 27 7.967 4.531 -2.498 199 2HG GLU 27 2HG GLU 27 8.623 4.265 -0.883 200 H THR 28 H THR 28 6.703 0.235 0.579 201 HA THR 28 HA THR 28 8.395 -1.981 -0.146 202 HB THR 28 HB THR 28 6.818 -1.274 2.118 203 HG1 THR 28 1HG THR 28 8.018 -3.555 2.565 204 1HG2 THR 28 1HG2 THR 28 6.228 -4.056 1.103 205 2HG2 THR 28 2HG2 THR 28 5.078 -2.718 1.087 206 3HG2 THR 28 3HG2 THR 28 5.682 -3.343 2.620 207 HA PRO 29 HA PRO 29 5.760 -3.900 -3.102 208 1HB PRO 29 1HB PRO 29 6.567 -6.476 -2.817 209 2HB PRO 29 2HB PRO 29 7.554 -5.244 -3.611 210 1HG PRO 29 1HG PRO 29 7.727 -6.295 -0.814 211 2HG PRO 29 2HG PRO 29 9.034 -5.945 -1.961 212 1HD PRO 29 1HD PRO 29 8.363 -4.254 0.045 213 2HD PRO 29 2HD PRO 29 8.987 -3.684 -1.517 214 H LYS 30 H LYS 30 3.640 -4.025 -2.686 215 HA LYS 30 HA LYS 30 2.418 -4.908 -0.364 216 1HB LYS 30 1HB LYS 30 1.157 -3.615 -1.925 217 2HB LYS 30 2HB LYS 30 1.405 -4.797 -3.204 218 1HG LYS 30 1HG LYS 30 0.137 -6.390 -1.557 219 2HG LYS 30 2HG LYS 30 -0.460 -4.871 -0.886 220 1HD LYS 30 1HD LYS 30 -0.840 -4.403 -3.509 221 2HD LYS 30 2HD LYS 30 -1.030 -6.159 -3.482 222 1HE LYS 30 1HE LYS 30 -2.884 -6.067 -2.109 223 2HE LYS 30 2HE LYS 30 -2.448 -4.490 -1.451 224 1HZ LYS 30 1HZ LYS 30 -3.566 -3.446 -3.050 225 2HZ LYS 30 2HZ LYS 30 -4.295 -4.935 -3.384 226 3HZ LYS 30 3HZ LYS 30 -2.949 -4.435 -4.277 227 HA PRO 31 HA PRO 31 2.771 -9.296 -0.431 228 1HB PRO 31 1HB PRO 31 0.658 -9.920 1.155 229 2HB PRO 31 2HB PRO 31 2.159 -9.229 1.782 230 1HG PRO 31 1HG PRO 31 -0.436 -7.872 1.158 231 2HG PRO 31 2HG PRO 31 0.633 -7.654 2.556 232 1HD PRO 31 1HD PRO 31 0.603 -5.936 0.464 233 2HD PRO 31 2HD PRO 31 2.072 -6.276 1.401 Start of MODEL 13 1 1H GLY 0 1H GLY 0 -14.080 11.459 3.962 2 1HA GLY 0 1HA GLY 0 -12.174 11.569 1.819 3 2HA GLY 0 2HA GLY 0 -11.861 11.043 3.466 4 H HIS 1 H HIS 1 -13.198 8.876 3.926 5 HA HIS 1 HA HIS 1 -13.173 7.065 1.664 6 1HB HIS 1 1HB HIS 1 -11.594 5.487 2.724 7 2HB HIS 1 2HB HIS 1 -10.826 7.019 2.320 8 HD1 HIS 1 HD1 HIS 1 -10.914 4.651 4.935 9 HD2 HIS 1 HD2 HIS 1 -10.919 8.803 4.803 10 HE1 HIS 1 HE1 HIS 1 -10.150 5.397 7.212 11 H MET 2 H MET 2 -14.670 5.513 1.894 12 HA MET 2 HA MET 2 -15.746 5.027 4.593 13 1HB MET 2 1HB MET 2 -17.164 6.400 2.868 14 2HB MET 2 2HB MET 2 -17.482 4.822 2.162 15 1HG MET 2 1HG MET 2 -19.274 5.230 3.609 16 2HG MET 2 2HG MET 2 -18.233 4.094 4.463 17 1HE MET 2 1HE MET 2 -20.173 7.423 4.803 18 2HE MET 2 2HE MET 2 -18.956 8.507 5.476 19 3HE MET 2 3HE MET 2 -18.765 7.872 3.841 20 H VAL 3 H VAL 3 -14.302 3.204 4.681 21 HA VAL 3 HA VAL 3 -15.526 0.775 3.942 22 HB VAL 3 HB VAL 3 -14.762 1.184 1.709 23 1HG1 VAL 3 1HG1 VAL 3 -12.513 1.722 1.117 24 2HG1 VAL 3 2HG1 VAL 3 -13.025 2.861 2.365 25 3HG1 VAL 3 3HG1 VAL 3 -11.966 1.512 2.780 26 1HG2 VAL 3 1HG2 VAL 3 -14.549 -1.107 2.478 27 2HG2 VAL 3 2HG2 VAL 3 -13.235 -0.718 1.367 28 3HG2 VAL 3 3HG2 VAL 3 -12.934 -0.771 3.104 29 H ILE 4 H ILE 4 -14.391 -1.080 4.734 30 HA ILE 4 HA ILE 4 -12.367 -0.376 6.748 31 HB ILE 4 HB ILE 4 -14.378 -2.610 6.626 32 1HG1 ILE 4 1HG1 ILE 4 -13.785 -0.725 8.901 33 2HG1 ILE 4 2HG1 ILE 4 -14.872 -0.276 7.591 34 1HG2 ILE 4 1HG2 ILE 4 -12.797 -3.930 7.518 35 2HG2 ILE 4 2HG2 ILE 4 -11.754 -2.570 7.929 36 3HG2 ILE 4 3HG2 ILE 4 -13.094 -3.005 8.990 37 1HD1 ILE 4 1HD1 ILE 4 -16.118 -2.441 8.152 38 2HD1 ILE 4 2HD1 ILE 4 -15.204 -2.408 9.660 39 3HD1 ILE 4 3HD1 ILE 4 -16.281 -1.073 9.252 40 H GLY 5 H GLY 5 -10.463 -0.566 5.634 41 1HA GLY 5 1HA GLY 5 -9.392 -3.162 5.286 42 2HA GLY 5 2HA GLY 5 -9.818 -2.486 3.720 43 H THR 6 H THR 6 -7.259 -3.030 5.503 44 HA THR 6 HA THR 6 -5.583 -1.211 4.194 45 HB THR 6 HB THR 6 -4.895 -0.069 6.512 46 HG1 THR 6 1HG THR 6 -6.556 -0.927 7.752 47 1HG2 THR 6 1HG2 THR 6 -5.350 1.732 5.282 48 2HG2 THR 6 2HG2 THR 6 -7.079 1.484 5.518 49 3HG2 THR 6 3HG2 THR 6 -6.255 0.717 4.161 50 H TRP 7 H TRP 7 -3.392 -1.594 4.607 51 HA TRP 7 HA TRP 7 -2.839 -3.768 6.520 52 1HB TRP 7 1HB TRP 7 -1.035 -4.475 4.872 53 2HB TRP 7 2HB TRP 7 -2.698 -4.771 4.374 54 HD1 TRP 7 1HD TRP 7 -3.731 -2.818 2.628 55 HE1 TRP 7 1HE TRP 7 -2.524 -1.646 0.680 56 HE3 TRP 7 3HE TRP 7 1.109 -3.686 4.028 57 HZ2 TRP 7 2HZ TRP 7 0.127 -1.155 -0.154 58 HZ3 TRP 7 3HZ TRP 7 2.921 -2.832 2.600 59 HH2 TRP 7 2HH TRP 7 2.438 -1.593 0.552 60 H ASP 8 H ASP 8 -1.096 -3.542 7.822 61 HA ASP 8 HA ASP 8 0.307 -0.980 7.704 62 1HB ASP 8 1HB ASP 8 0.536 -3.008 9.917 63 2HB ASP 8 2HB ASP 8 0.826 -1.272 9.987 64 H CYS 9 H CYS 9 2.546 -0.800 7.685 65 HA CYS 9 HA CYS 9 3.929 -2.826 6.241 66 1HB CYS 9 1HB CYS 9 4.298 -0.246 6.263 67 2HB CYS 9 2HB CYS 9 5.318 -0.573 7.660 68 H ASP 10 H ASP 10 6.211 -3.480 7.027 69 HA ASP 10 HA ASP 10 6.115 -4.222 9.872 70 1HB ASP 10 1HB ASP 10 7.191 -6.097 7.780 71 2HB ASP 10 2HB ASP 10 6.708 -6.454 9.436 72 H THR 11 H THR 11 7.722 -2.567 7.572 73 HA THR 11 HA THR 11 10.347 -3.045 8.830 74 HB THR 11 HB THR 11 9.615 -2.476 5.988 75 HG1 THR 11 1HG THR 11 11.444 -3.996 5.780 76 1HG2 THR 11 1HG2 THR 11 11.963 -1.791 5.553 77 2HG2 THR 11 2HG2 THR 11 12.220 -1.688 7.295 78 3HG2 THR 11 3HG3 THR 11 11.063 -0.615 6.509 79 H CYS 12 H CYS 12 8.448 -0.536 7.150 80 HA CYS 12 HA CYS 12 9.905 1.521 8.637 81 1HB CYS 12 1HB CYS 12 9.354 3.009 6.972 82 2HB CYS 12 2HB CYS 12 9.356 1.509 6.050 83 H LEU 13 H LEU 13 7.039 -0.229 8.800 84 HA LEU 13 HA LEU 13 5.196 -0.099 10.125 85 1HB LEU 13 1HB LEU 13 6.408 2.218 11.578 86 2HB LEU 13 2HB LEU 13 5.381 0.927 12.201 87 HG LEU 13 HG LEU 13 8.164 0.354 11.244 88 1HD1 LEU 13 1HD1 LEU 13 7.861 0.677 14.125 89 2HD1 LEU 13 2HD1 LEU 13 7.685 2.185 13.227 90 3HD1 LEU 13 3HD1 LEU 13 9.150 1.219 13.050 91 1HD2 LEU 13 1HD2 LEU 13 7.218 -1.669 11.639 92 2HD2 LEU 13 2HD2 LEU 13 6.046 -1.023 12.788 93 3HD2 LEU 13 3HD2 LEU 13 7.716 -1.297 13.290 94 H VAL 14 H VAL 14 3.987 0.657 8.307 95 HA VAL 14 HA VAL 14 2.747 3.214 8.802 96 HB VAL 14 HB VAL 14 4.268 2.729 6.242 97 1HG1 VAL 14 1HG1 VAL 14 3.290 4.820 5.425 98 2HG1 VAL 14 2HG1 VAL 14 2.052 3.595 5.713 99 3HG1 VAL 14 3HG1 VAL 14 2.280 4.910 6.868 100 1HG2 VAL 14 1HG2 VAL 14 5.298 4.911 6.813 101 2HG2 VAL 14 2HG2 VAL 14 4.423 4.888 8.344 102 3HG2 VAL 14 3HG2 VAL 14 5.633 3.653 8.001 103 H GLN 15 H GLN 15 0.654 3.231 8.167 104 HA GLN 15 HA GLN 15 -0.431 0.774 7.096 105 1HB GLN 15 1HB GLN 15 -1.808 3.322 7.960 106 2HB GLN 15 2HB GLN 15 -2.621 1.824 7.528 107 1HG GLN 15 1HG GLN 15 -1.615 0.690 9.405 108 2HG GLN 15 2HG GLN 15 -0.682 2.131 9.808 109 1HE2 GLN 15 2HE2 GLN 15 -2.175 1.072 11.744 110 2HE2 GLN 15 1HE2 GLN 15 -3.569 2.042 12.061 111 H ASN 16 H ASN 16 -1.597 0.552 5.189 112 HA ASN 16 HA ASN 16 -1.695 2.819 3.354 113 1HB ASN 16 1HB ASN 16 -0.681 0.246 2.233 114 2HB ASN 16 2HB ASN 16 -0.395 1.896 1.687 115 1HD2 ASN 16 2HD2 ASN 16 0.242 -0.189 4.485 116 2HD2 ASN 16 1HD2 ASN 16 1.851 0.380 4.756 117 H LYS 17 H LYS 17 -3.212 2.589 1.665 118 HA LYS 17 HA LYS 17 -5.522 1.108 2.343 119 1HB LYS 17 1HB LYS 17 -6.538 2.101 0.484 120 2HB LYS 17 2HB LYS 17 -5.333 3.282 0.978 121 1HG LYS 17 1HG LYS 17 -3.891 2.694 -0.801 122 2HG LYS 17 2HG LYS 17 -4.835 1.252 -1.181 123 1HD LYS 17 1HD LYS 17 -5.323 2.965 -2.805 124 2HD LYS 17 2HD LYS 17 -6.742 2.719 -1.784 125 1HE LYS 17 1HE LYS 17 -4.722 4.847 -1.160 126 2HE LYS 17 2HE LYS 17 -6.014 5.130 -2.325 127 1HZ LYS 17 1HZ LYS 17 -7.149 4.001 -0.037 128 2HZ LYS 17 2HZ LYS 17 -7.370 5.561 -0.650 129 3HZ LYS 17 3HZ LYS 17 -6.139 5.259 0.471 130 HA PRO 18 HA PRO 18 -4.765 -2.803 0.480 131 1HB PRO 18 1HB PRO 18 -7.319 -3.574 -0.024 132 2HB PRO 18 2HB PRO 18 -6.629 -3.539 1.603 133 1HG PRO 18 1HG PRO 18 -8.396 -1.536 0.251 134 2HG PRO 18 2HG PRO 18 -8.469 -2.152 1.913 135 1HD PRO 18 1HD PRO 18 -7.377 0.248 1.294 136 2HD PRO 18 2HD PRO 18 -6.789 -0.751 2.639 137 H GLU 19 H GLU 19 -6.147 -0.191 -1.200 138 HA GLU 19 HA GLU 19 -6.457 -1.614 -3.711 139 1HB GLU 19 1HB GLU 19 -6.549 1.368 -3.492 140 2HB GLU 19 2HB GLU 19 -7.469 0.299 -4.543 141 1HG GLU 19 1HG GLU 19 -8.524 -0.527 -2.309 142 2HG GLU 19 2HG GLU 19 -7.942 1.017 -1.691 143 H ALA 20 H ALA 20 -3.922 -0.301 -2.013 144 HA ALA 20 HA ALA 20 -2.452 0.711 -4.301 145 1HB ALA 20 1HB ALA 20 -2.212 1.866 -2.184 146 2HB ALA 20 2HB ALA 20 -1.632 0.386 -1.417 147 3HB ALA 20 3HB ALA 20 -0.668 1.165 -2.671 148 H ILE 21 H ILE 21 -0.096 -0.065 -4.477 149 HA ILE 21 HA ILE 21 -0.099 -3.013 -4.425 150 HB ILE 21 HB ILE 21 1.105 -1.077 -6.383 151 1HG1 ILE 21 1HG1 ILE 21 0.019 -2.907 -7.918 152 2HG1 ILE 21 2HG1 ILE 21 -0.876 -3.326 -6.461 153 1HG2 ILE 21 1HG2 ILE 21 1.926 -3.903 -5.814 154 2HG2 ILE 21 2HG2 ILE 21 2.121 -3.196 -7.416 155 3HG2 ILE 21 3HG2 ILE 21 2.938 -2.476 -6.029 156 1HD1 ILE 21 1HD1 ILE 21 -0.988 -0.845 -8.105 157 2HD1 ILE 21 2HD1 ILE 21 -2.300 -1.855 -7.496 158 3HD1 ILE 21 3HD1 ILE 21 -1.426 -0.788 -6.398 159 H LYS 22 H LYS 22 1.400 -0.210 -3.238 160 HA LYS 22 HA LYS 22 3.384 -1.806 -1.852 161 1HB LYS 22 1HB LYS 22 5.195 -0.125 -2.492 162 2HB LYS 22 2HB LYS 22 4.728 -1.295 -3.720 163 1HG LYS 22 1HG LYS 22 4.778 0.616 -4.962 164 2HG LYS 22 2HG LYS 22 3.086 0.611 -4.461 165 1HD LYS 22 1HD LYS 22 3.580 2.163 -2.667 166 2HD LYS 22 2HD LYS 22 5.300 2.108 -3.059 167 1HE LYS 22 1HE LYS 22 4.509 4.092 -4.039 168 2HE LYS 22 2HE LYS 22 4.638 2.942 -5.369 169 1HZ LYS 22 1HZ LYS 22 2.555 4.261 -5.355 170 2HZ LYS 22 2HZ LYS 22 2.116 3.502 -3.909 171 3HZ LYS 22 3HZ LYS 22 2.297 2.589 -5.322 172 H CYS 23 H CYS 23 4.717 -0.288 -0.360 173 HA CYS 23 HA CYS 23 2.893 1.050 1.329 174 1HB CYS 23 1HB CYS 23 5.267 -0.036 1.782 175 2HB CYS 23 2HB CYS 23 5.819 1.614 1.512 176 H VAL 24 H VAL 24 2.895 3.290 1.958 177 HA VAL 24 HA VAL 24 3.481 5.065 -0.311 178 HB VAL 24 HB VAL 24 1.121 4.950 0.468 179 1HG1 VAL 24 1HG1 VAL 24 2.334 6.034 2.998 180 2HG1 VAL 24 2HG1 VAL 24 0.621 6.203 2.609 181 3HG1 VAL 24 3HG1 VAL 24 1.330 4.599 2.797 182 1HG2 VAL 24 1HG2 VAL 24 2.625 7.161 -0.242 183 2HG2 VAL 24 2HG2 VAL 24 0.865 7.048 -0.245 184 3HG2 VAL 24 2HG3 VAL 24 1.703 7.706 1.159 185 H ALA 25 H ALA 25 5.246 4.123 2.030 186 HA ALA 25 HA ALA 25 6.237 6.808 2.698 187 1HB ALA 25 1HB ALA 25 6.910 5.695 4.956 188 2HB ALA 25 2HB ALA 25 5.270 6.303 4.728 189 3HB ALA 25 3HB ALA 25 5.600 4.577 4.578 190 H CYS 26 H CYS 26 6.963 3.332 2.626 191 HA CYS 26 HA CYS 26 9.790 4.002 2.150 192 1HB CYS 26 1HB CYS 26 10.400 1.906 3.079 193 2HB CYS 26 2HB CYS 26 9.185 2.572 4.163 194 H GLU 27 H GLU 27 6.982 2.865 0.682 195 HA GLU 27 HA GLU 27 6.557 2.152 -1.442 196 1HB GLU 27 1HB GLU 27 9.511 2.194 -2.018 197 2HB GLU 27 2HB GLU 27 8.175 2.406 -3.142 198 1HG GLU 27 1HG GLU 27 8.778 4.568 -2.958 199 2HG GLU 27 2HG GLU 27 7.707 4.495 -1.560 200 H THR 28 H THR 28 6.923 0.317 0.672 201 HA THR 28 HA THR 28 8.532 -1.888 -0.189 202 HB THR 28 HB THR 28 6.860 -1.264 2.115 203 HG1 THR 28 1HG THR 28 8.748 -3.316 2.141 204 1HG2 THR 28 1HG2 THR 28 6.780 -4.051 0.966 205 2HG2 THR 28 2HG2 THR 28 5.416 -3.016 1.385 206 3HG2 THR 28 3HG2 THR 28 6.436 -3.686 2.656 207 HA PRO 29 HA PRO 29 5.756 -3.832 -2.996 208 1HB PRO 29 1HB PRO 29 6.613 -6.398 -2.769 209 2HB PRO 29 2HB PRO 29 7.534 -5.147 -3.615 210 1HG PRO 29 1HG PRO 29 7.887 -6.207 -0.837 211 2HG PRO 29 2HG PRO 29 9.119 -5.835 -2.057 212 1HD PRO 29 1HD PRO 29 8.544 -4.160 -0.009 213 2HD PRO 29 2HD PRO 29 9.067 -3.575 -1.602 214 H LYS 30 H LYS 30 3.675 -3.874 -2.342 215 HA LYS 30 HA LYS 30 2.577 -4.770 -0.012 216 1HB LYS 30 1HB LYS 30 1.219 -3.591 -1.591 217 2HB LYS 30 2HB LYS 30 1.435 -4.845 -2.805 218 1HG LYS 30 1HG LYS 30 0.280 -6.372 -1.046 219 2HG LYS 30 2HG LYS 30 -0.288 -4.842 -0.370 220 1HD LYS 30 1HD LYS 30 -0.736 -4.607 -3.103 221 2HD LYS 30 2HD LYS 30 -1.184 -6.272 -2.723 222 1HE LYS 30 1HE LYS 30 -2.749 -5.559 -1.080 223 2HE LYS 30 2HE LYS 30 -2.159 -3.899 -1.148 224 1HZ LYS 30 1HZ LYS 30 -3.594 -3.467 -2.757 225 2HZ LYS 30 2HZ LYS 30 -4.218 -5.034 -2.630 226 3HZ LYS 30 3HZ LYS 30 -2.965 -4.709 -3.720 227 HA PRO 31 HA PRO 31 3.086 -9.142 0.107 228 1HB PRO 31 1HB PRO 31 1.078 -9.756 1.827 229 2HB PRO 31 2HB PRO 31 2.584 -8.987 2.344 230 1HG PRO 31 1HG PRO 31 -0.085 -7.747 1.791 231 2HG PRO 31 2HG PRO 31 1.044 -7.428 3.121 232 1HD PRO 31 1HD PRO 31 0.850 -5.814 0.955 233 2HD PRO 31 2HD PRO 31 2.375 -6.060 1.830 Start of MODEL 14 1 1H GLY 0 1H GLY 0 -23.541 -0.494 -2.342 2 1HA GLY 0 1HA GLY 0 -23.799 -3.315 -2.570 3 2HA GLY 0 2HA GLY 0 -22.591 -2.718 -3.698 4 H HIS 1 H HIS 1 -20.685 -3.293 -2.860 5 HA HIS 1 HA HIS 1 -20.027 -2.294 -0.186 6 1HB HIS 1 1HB HIS 1 -19.788 -5.127 -1.148 7 2HB HIS 1 2HB HIS 1 -18.664 -4.505 0.057 8 HD1 HIS 1 HD1 HIS 1 -19.422 -4.620 2.420 9 HD2 HIS 1 HD2 HIS 1 -22.587 -4.927 -0.253 10 HE1 HIS 1 HE1 HIS 1 -21.446 -5.117 3.828 11 H MET 2 H MET 2 -18.129 -1.267 -0.123 12 HA MET 2 HA MET 2 -16.347 -1.545 -2.449 13 1HB MET 2 1HB MET 2 -16.582 0.769 -0.517 14 2HB MET 2 2HB MET 2 -15.552 0.710 -1.942 15 1HG MET 2 1HG MET 2 -18.554 0.533 -2.013 16 2HG MET 2 2HG MET 2 -17.635 2.020 -2.237 17 1HE MET 2 1HE MET 2 -19.353 1.983 -4.158 18 2HE MET 2 2HE MET 2 -18.893 1.454 -5.777 19 3HE MET 2 3HE MET 2 -19.736 0.346 -4.694 20 H VAL 3 H VAL 3 -14.404 -2.413 -2.152 21 HA VAL 3 HA VAL 3 -13.476 -3.734 -0.012 22 HB VAL 3 HB VAL 3 -11.095 -2.957 -0.800 23 1HG1 VAL 3 1HG1 VAL 3 -11.535 -4.402 -2.951 24 2HG1 VAL 3 2HG1 VAL 3 -11.621 -5.123 -1.343 25 3HG1 VAL 3 3HG1 VAL 3 -13.102 -4.668 -2.187 26 1HG2 VAL 3 1HG2 VAL 3 -12.301 -2.350 -3.397 27 2HG2 VAL 3 2HG2 VAL 3 -12.574 -1.111 -2.171 28 3HG2 VAL 3 3HG2 VAL 3 -10.929 -1.601 -2.579 29 H ILE 4 H ILE 4 -13.722 -2.955 2.021 30 HA ILE 4 HA ILE 4 -12.405 -0.402 2.670 31 HB ILE 4 HB ILE 4 -14.737 -0.299 3.216 32 1HG1 ILE 4 1HG1 ILE 4 -13.297 -0.853 5.812 33 2HG1 ILE 4 2HG1 ILE 4 -13.011 0.594 4.850 34 1HG2 ILE 4 1HG2 ILE 4 -15.841 -2.185 3.619 35 2HG2 ILE 4 2HG2 ILE 4 -14.343 -3.056 3.943 36 3HG2 ILE 4 3HG2 ILE 4 -15.149 -2.175 5.240 37 1HD1 ILE 4 1HD1 ILE 4 -14.702 1.567 5.881 38 2HD1 ILE 4 2HD1 ILE 4 -15.797 0.371 5.187 39 3HD1 ILE 4 3HD1 ILE 4 -15.055 0.080 6.760 40 H GLY 5 H GLY 5 -10.348 -0.994 3.172 41 1HA GLY 5 1HA GLY 5 -9.951 -2.348 5.682 42 2HA GLY 5 2HA GLY 5 -9.379 -3.275 4.303 43 H THR 6 H THR 6 -7.290 -3.057 5.412 44 HA THR 6 HA THR 6 -5.626 -1.199 4.166 45 HB THR 6 HB THR 6 -4.995 -0.073 6.518 46 HG1 THR 6 1HG THR 6 -6.872 0.389 7.674 47 1HG2 THR 6 1HG2 THR 6 -6.331 0.720 4.136 48 2HG2 THR 6 2HG2 THR 6 -5.394 1.714 5.251 49 3HG2 THR 6 3HG2 THR 6 -7.127 1.508 5.497 50 H TRP 7 H TRP 7 -3.451 -1.602 4.557 51 HA TRP 7 HA TRP 7 -2.884 -3.743 6.502 52 1HB TRP 7 1HB TRP 7 -1.099 -4.489 4.867 53 2HB TRP 7 2HB TRP 7 -2.762 -4.758 4.352 54 HD1 TRP 7 1HD TRP 7 -3.737 -2.889 2.529 55 HE1 TRP 7 1HE TRP 7 -2.489 -1.713 0.609 56 HE3 TRP 7 3HE TRP 7 1.067 -3.617 4.119 57 HZ2 TRP 7 2HZ TRP 7 0.179 -1.166 -0.132 58 HZ3 TRP 7 3HZ TRP 7 2.909 -2.737 2.746 59 HH2 TRP 7 2HH TRP 7 2.473 -1.538 0.664 60 H ASP 8 H ASP 8 -1.055 -3.560 7.725 61 HA ASP 8 HA ASP 8 0.312 -0.971 7.592 62 1HB ASP 8 1HB ASP 8 0.549 -2.987 9.820 63 2HB ASP 8 2HB ASP 8 0.875 -1.257 9.873 64 H CYS 9 H CYS 9 2.583 -0.813 7.683 65 HA CYS 9 HA CYS 9 3.950 -2.816 6.176 66 1HB CYS 9 1HB CYS 9 4.335 -0.235 6.263 67 2HB CYS 9 2HB CYS 9 5.362 -0.612 7.643 68 H ASP 10 H ASP 10 6.240 -3.474 6.972 69 HA ASP 10 HA ASP 10 6.115 -4.283 9.798 70 1HB ASP 10 1HB ASP 10 5.519 -6.092 7.999 71 2HB ASP 10 2HB ASP 10 7.261 -6.139 7.742 72 H THR 11 H THR 11 7.750 -2.599 7.530 73 HA THR 11 HA THR 11 10.360 -3.104 8.807 74 HB THR 11 HB THR 11 9.687 -2.379 5.971 75 HG1 THR 11 1HG THR 11 11.343 -4.321 7.235 76 1HG2 THR 11 1HG2 THR 11 11.328 -0.822 6.101 77 2HG2 THR 11 2HG2 THR 11 12.378 -2.232 5.967 78 3HG2 THR 11 3HG3 THR 11 12.035 -1.534 7.550 79 H CYS 12 H CYS 12 8.539 -0.551 7.102 80 HA CYS 12 HA CYS 12 9.985 1.478 8.621 81 1HB CYS 12 1HB CYS 12 9.404 2.986 6.985 82 2HB CYS 12 2HB CYS 12 9.389 1.497 6.046 83 H LEU 13 H LEU 13 7.020 -0.196 8.667 84 HA LEU 13 HA LEU 13 5.236 -0.106 10.079 85 1HB LEU 13 1HB LEU 13 6.462 2.203 11.530 86 2HB LEU 13 2HB LEU 13 5.441 0.911 12.157 87 HG LEU 13 HG LEU 13 8.317 0.594 11.296 88 1HD1 LEU 13 1HD1 LEU 13 8.339 0.088 13.918 89 2HD1 LEU 13 2HD1 LEU 13 7.040 1.280 13.873 90 3HD1 LEU 13 3HD1 LEU 13 8.637 1.692 13.248 91 1HD2 LEU 13 1HD2 LEU 13 7.937 -1.589 11.332 92 2HD2 LEU 13 2HD2 LEU 13 6.234 -1.299 11.690 93 3HD2 LEU 13 3HD2 LEU 13 7.396 -1.469 13.007 94 H VAL 14 H VAL 14 4.091 0.687 8.195 95 HA VAL 14 HA VAL 14 2.836 3.243 8.737 96 HB VAL 14 HB VAL 14 4.298 2.732 6.146 97 1HG1 VAL 14 1HG1 VAL 14 2.788 3.975 5.097 98 2HG1 VAL 14 2HG1 VAL 14 1.874 4.170 6.594 99 3HG1 VAL 14 3HG1 VAL 14 3.154 5.313 6.185 100 1HG2 VAL 14 1HG2 VAL 14 5.637 3.625 8.025 101 2HG2 VAL 14 2HG2 VAL 14 5.512 4.751 6.674 102 3HG2 VAL 14 3HG2 VAL 14 4.536 4.999 8.122 103 H GLN 15 H GLN 15 0.739 3.294 8.102 104 HA GLN 15 HA GLN 15 -0.396 0.834 7.100 105 1HB GLN 15 1HB GLN 15 -1.542 3.407 8.147 106 2HB GLN 15 2HB GLN 15 -2.567 2.222 7.351 107 1HG GLN 15 1HG GLN 15 -2.303 0.663 9.030 108 2HG GLN 15 2HG GLN 15 -0.797 1.382 9.599 109 1HE2 GLN 15 2HE2 GLN 15 -1.498 1.492 11.717 110 2HE2 GLN 15 1HE2 GLN 15 -2.696 2.621 12.243 111 H ASN 16 H ASN 16 -1.687 0.633 5.237 112 HA ASN 16 HA ASN 16 -1.700 2.825 3.322 113 1HB ASN 16 1HB ASN 16 -0.742 0.191 2.286 114 2HB ASN 16 2HB ASN 16 -0.448 1.813 1.665 115 1HD2 ASN 16 2HD2 ASN 16 0.234 -0.202 4.500 116 2HD2 ASN 16 1HD2 ASN 16 1.843 0.380 4.739 117 H LYS 17 H LYS 17 -3.187 2.522 1.586 118 HA LYS 17 HA LYS 17 -5.533 1.101 2.345 119 1HB LYS 17 1HB LYS 17 -6.563 2.087 0.483 120 2HB LYS 17 2HB LYS 17 -5.358 3.269 0.978 121 1HG LYS 17 1HG LYS 17 -3.884 2.595 -0.790 122 2HG LYS 17 2HG LYS 17 -4.955 1.261 -1.228 123 1HD LYS 17 1HD LYS 17 -6.710 2.884 -1.805 124 2HD LYS 17 2HD LYS 17 -5.607 4.204 -1.405 125 1HE LYS 17 1HE LYS 17 -4.663 2.174 -3.350 126 2HE LYS 17 2HE LYS 17 -5.916 3.289 -3.890 127 1HZ LYS 17 1HZ LYS 17 -3.820 4.235 -4.415 128 2HZ LYS 17 2HZ LYS 17 -3.226 3.982 -2.851 129 3HZ LYS 17 3HZ LYS 17 -4.446 5.122 -3.117 130 HA PRO 18 HA PRO 18 -4.873 -2.817 0.470 131 1HB PRO 18 1HB PRO 18 -7.437 -3.523 -0.080 132 2HB PRO 18 2HB PRO 18 -6.776 -3.507 1.559 133 1HG PRO 18 1HG PRO 18 -8.466 -1.457 0.177 134 2HG PRO 18 2HG PRO 18 -8.585 -2.071 1.837 135 1HD PRO 18 1HD PRO 18 -7.420 0.299 1.241 136 2HD PRO 18 2HD PRO 18 -6.882 -0.715 2.595 137 H GLU 19 H GLU 19 -6.201 -0.179 -1.232 138 HA GLU 19 HA GLU 19 -6.471 -1.596 -3.750 139 1HB GLU 19 1HB GLU 19 -8.084 0.052 -3.630 140 2HB GLU 19 2HB GLU 19 -7.023 1.180 -2.798 141 1HG GLU 19 1HG GLU 19 -5.793 1.554 -4.877 142 2HG GLU 19 2HG GLU 19 -6.868 0.431 -5.710 143 H ALA 20 H ALA 20 -3.957 -0.317 -2.002 144 HA ALA 20 HA ALA 20 -2.437 0.693 -4.262 145 1HB ALA 20 1HB ALA 20 -2.233 1.839 -2.133 146 2HB ALA 20 2HB ALA 20 -1.668 0.355 -1.366 147 3HB ALA 20 3HB ALA 20 -0.683 1.139 -2.602 148 H ILE 21 H ILE 21 -0.096 -0.103 -4.420 149 HA ILE 21 HA ILE 21 -0.122 -3.049 -4.373 150 HB ILE 21 HB ILE 21 1.426 -1.214 -6.207 151 1HG1 ILE 21 1HG1 ILE 21 -0.089 -2.518 -7.905 152 2HG1 ILE 21 2HG1 ILE 21 -1.117 -2.775 -6.500 153 1HG2 ILE 21 1HG2 ILE 21 2.017 -3.301 -7.394 154 2HG2 ILE 21 2HG2 ILE 21 2.681 -3.222 -5.764 155 3HG2 ILE 21 3HG2 ILE 21 1.265 -4.222 -6.092 156 1HD1 ILE 21 1HD1 ILE 21 -1.308 -0.374 -6.187 157 2HD1 ILE 21 2HD1 ILE 21 -0.247 -0.101 -7.571 158 3HD1 ILE 21 3HD1 ILE 21 -1.828 -0.848 -7.805 159 H LYS 22 H LYS 22 1.501 -0.212 -3.304 160 HA LYS 22 HA LYS 22 3.392 -1.858 -1.815 161 1HB LYS 22 1HB LYS 22 5.258 -0.277 -2.419 162 2HB LYS 22 2HB LYS 22 4.722 -1.331 -3.721 163 1HG LYS 22 1HG LYS 22 3.345 0.536 -4.596 164 2HG LYS 22 2HG LYS 22 4.045 1.579 -3.356 165 1HD LYS 22 1HD LYS 22 5.330 1.976 -5.285 166 2HD LYS 22 2HD LYS 22 6.314 0.896 -4.294 167 1HE LYS 22 1HE LYS 22 6.368 0.174 -6.603 168 2HE LYS 22 2HE LYS 22 5.507 -1.014 -5.624 169 1HZ LYS 22 1HZ LYS 22 3.658 -0.713 -6.795 170 2HZ LYS 22 2HZ LYS 22 4.597 0.128 -7.922 171 3HZ LYS 22 3HZ LYS 22 3.764 0.973 -6.716 172 H CYS 23 H CYS 23 4.769 -0.274 -0.364 173 HA CYS 23 HA CYS 23 2.927 1.039 1.339 174 1HB CYS 23 1HB CYS 23 5.288 -0.034 1.818 175 2HB CYS 23 2HB CYS 23 5.861 1.598 1.492 176 H VAL 24 H VAL 24 2.937 3.285 1.969 177 HA VAL 24 HA VAL 24 3.503 5.053 -0.312 178 HB VAL 24 HB VAL 24 1.129 4.845 0.590 179 1HG1 VAL 24 1HG1 VAL 24 2.136 5.054 3.015 180 2HG1 VAL 24 2HG1 VAL 24 1.914 6.778 2.713 181 3HG1 VAL 24 3HG1 VAL 24 0.533 5.682 2.634 182 1HG2 VAL 24 1HG2 VAL 24 2.222 6.779 -0.762 183 2HG2 VAL 24 2HG2 VAL 24 0.637 7.021 -0.027 184 3HG2 VAL 24 2HG3 VAL 24 2.078 7.676 0.750 185 H ALA 25 H ALA 25 5.253 4.135 2.056 186 HA ALA 25 HA ALA 25 6.215 6.833 2.721 187 1HB ALA 25 1HB ALA 25 5.097 6.147 4.696 188 2HB ALA 25 2HB ALA 25 5.822 4.540 4.630 189 3HB ALA 25 3HB ALA 25 6.824 5.946 4.995 190 H CYS 26 H CYS 26 6.989 3.366 2.660 191 HA CYS 26 HA CYS 26 9.808 4.072 2.194 192 1HB CYS 26 1HB CYS 26 10.440 1.981 3.119 193 2HB CYS 26 2HB CYS 26 9.207 2.626 4.198 194 H GLU 27 H GLU 27 7.020 2.889 0.714 195 HA GLU 27 HA GLU 27 6.605 2.149 -1.401 196 1HB GLU 27 1HB GLU 27 9.547 2.333 -2.007 197 2HB GLU 27 2HB GLU 27 8.191 2.494 -3.114 198 1HG GLU 27 1HG GLU 27 9.295 4.467 -1.174 199 2HG GLU 27 2HG GLU 27 8.890 4.670 -2.878 200 H THR 28 H THR 28 6.813 0.264 0.535 201 HA THR 28 HA THR 28 8.575 -1.859 -0.374 202 HB THR 28 HB THR 28 7.074 -1.294 2.059 203 HG1 THR 28 1HG THR 28 9.161 -3.172 1.599 204 1HG2 THR 28 1HG2 THR 28 7.072 -4.123 1.002 205 2HG2 THR 28 2HG2 THR 28 5.654 -3.117 1.298 206 3HG2 THR 28 3HG2 THR 28 6.655 -3.651 2.648 207 HA PRO 29 HA PRO 29 5.639 -3.865 -2.966 208 1HB PRO 29 1HB PRO 29 6.581 -6.407 -2.825 209 2HB PRO 29 2HB PRO 29 7.397 -5.129 -3.732 210 1HG PRO 29 1HG PRO 29 7.998 -6.191 -0.999 211 2HG PRO 29 2HG PRO 29 9.118 -5.780 -2.309 212 1HD PRO 29 1HD PRO 29 8.662 -4.131 -0.211 213 2HD PRO 29 2HD PRO 29 9.041 -3.525 -1.836 214 H LYS 30 H LYS 30 3.600 -4.109 -2.291 215 HA LYS 30 HA LYS 30 2.782 -5.106 0.186 216 1HB LYS 30 1HB LYS 30 1.286 -3.736 -1.083 217 2HB LYS 30 2HB LYS 30 1.314 -4.856 -2.439 218 1HG LYS 30 1HG LYS 30 0.369 -6.516 -0.600 219 2HG LYS 30 2HG LYS 30 -0.183 -4.998 0.113 220 1HD LYS 30 1HD LYS 30 -0.661 -5.261 -2.776 221 2HD LYS 30 2HD LYS 30 -1.549 -6.405 -1.766 222 1HE LYS 30 1HE LYS 30 -2.342 -4.484 -0.399 223 2HE LYS 30 2HE LYS 30 -1.559 -3.397 -1.545 224 1HZ LYS 30 1HZ LYS 30 -3.563 -3.438 -2.524 225 2HZ LYS 30 2HZ LYS 30 -4.021 -4.900 -1.809 226 3HZ LYS 30 3HZ LYS 30 -3.033 -4.904 -3.182 227 HA PRO 31 HA PRO 31 3.159 -9.474 -0.219 228 1HB PRO 31 1HB PRO 31 1.346 -10.233 1.652 229 2HB PRO 31 2HB PRO 31 2.925 -9.554 2.065 230 1HG PRO 31 1HG PRO 31 0.252 -8.210 1.968 231 2HG PRO 31 2HG PRO 31 1.537 -8.059 3.181 232 1HD PRO 31 1HD PRO 31 1.145 -6.216 1.236 233 2HD PRO 31 2HD PRO 31 2.752 -6.585 1.893 Start of MODEL 15 1 1H GLY 0 1H GLY 0 -18.636 10.906 6.369 2 1HA GLY 0 1HA GLY 0 -19.528 8.894 7.924 3 2HA GLY 0 2HA GLY 0 -20.316 9.309 6.409 4 H HIS 1 H HIS 1 -17.992 8.491 4.805 5 HA HIS 1 HA HIS 1 -18.201 5.572 5.153 6 1HB HIS 1 1HB HIS 1 -18.562 5.244 2.894 7 2HB HIS 1 2HB HIS 1 -19.425 6.758 3.151 8 HD1 HIS 1 HD1 HIS 1 -17.082 5.267 0.926 9 HD2 HIS 1 HD2 HIS 1 -17.590 9.074 2.511 10 HE1 HIS 1 HE1 HIS 1 -15.803 6.806 -0.597 11 H MET 2 H MET 2 -16.379 4.333 4.715 12 HA MET 2 HA MET 2 -13.943 5.603 3.810 13 1HB MET 2 1HB MET 2 -13.699 6.209 6.077 14 2HB MET 2 2HB MET 2 -14.314 4.662 6.644 15 1HG MET 2 1HG MET 2 -12.296 3.560 5.813 16 2HG MET 2 2HG MET 2 -11.680 5.116 5.263 17 1HE MET 2 1HE MET 2 -11.961 2.614 8.116 18 2HE MET 2 2HE MET 2 -11.932 3.595 9.581 19 3HE MET 2 3HE MET 2 -13.352 3.614 8.535 20 H VAL 3 H VAL 3 -12.157 4.032 3.585 21 HA VAL 3 HA VAL 3 -13.227 1.435 2.783 22 HB VAL 3 HB VAL 3 -11.943 2.504 1.078 23 1HG1 VAL 3 1HG1 VAL 3 -9.328 2.680 1.906 24 2HG1 VAL 3 2HG1 VAL 3 -10.454 4.030 1.750 25 3HG1 VAL 3 3HG1 VAL 3 -10.228 3.246 3.314 26 1HG2 VAL 3 1HG2 VAL 3 -11.622 0.021 1.543 27 2HG2 VAL 3 2HG2 VAL 3 -10.405 0.808 0.539 28 3HG2 VAL 3 3HG2 VAL 3 -10.062 0.466 2.235 29 H ILE 4 H ILE 4 -12.519 -0.505 3.580 30 HA ILE 4 HA ILE 4 -10.719 -0.374 5.911 31 HB ILE 4 HB ILE 4 -13.227 -1.004 6.232 32 1HG1 ILE 4 1HG1 ILE 4 -10.895 -2.554 7.357 33 2HG1 ILE 4 2HG1 ILE 4 -11.688 -1.145 8.053 34 1HG2 ILE 4 1HG2 ILE 4 -13.856 -3.230 5.831 35 2HG2 ILE 4 2HG2 ILE 4 -13.064 -2.704 4.347 36 3HG2 ILE 4 3HG2 ILE 4 -12.197 -3.725 5.493 37 1HD1 ILE 4 1HD1 ILE 4 -12.241 -3.268 9.186 38 2HD1 ILE 4 2HD1 ILE 4 -13.652 -2.429 8.541 39 3HD1 ILE 4 3HD1 ILE 4 -12.996 -3.830 7.695 40 H GLY 5 H GLY 5 -9.328 -2.175 6.277 41 1HA GLY 5 1HA GLY 5 -8.594 -4.401 5.487 42 2HA GLY 5 2HA GLY 5 -8.853 -3.802 3.855 43 H THR 6 H THR 6 -7.672 -1.187 5.255 44 HA THR 6 HA THR 6 -5.279 -1.042 3.994 45 HB THR 6 HB THR 6 -4.521 0.542 5.777 46 HG1 THR 6 1HG THR 6 -5.654 -0.622 7.503 47 1HG2 THR 6 1HG2 THR 6 -5.671 1.930 4.458 48 2HG2 THR 6 2HG2 THR 6 -7.025 1.742 5.572 49 3HG2 THR 6 3HG2 THR 6 -6.906 0.712 4.146 50 H TRP 7 H TRP 7 -3.243 -1.789 4.232 51 HA TRP 7 HA TRP 7 -2.786 -3.722 6.395 52 1HB TRP 7 1HB TRP 7 -0.797 -4.364 4.866 53 2HB TRP 7 2HB TRP 7 -2.422 -4.820 4.364 54 HD1 TRP 7 1HD TRP 7 -3.581 -3.003 2.528 55 HE1 TRP 7 1HE TRP 7 -2.439 -1.861 0.524 56 HE3 TRP 7 3HE TRP 7 1.296 -3.520 3.970 57 HZ2 TRP 7 2HZ TRP 7 0.183 -1.260 -0.333 58 HZ3 TRP 7 3HZ TRP 7 3.061 -2.634 2.502 59 HH2 TRP 7 2HH TRP 7 2.513 -1.528 0.395 60 H ASP 8 H ASP 8 -1.068 -3.560 7.771 61 HA ASP 8 HA ASP 8 0.317 -0.979 7.780 62 1HB ASP 8 1HB ASP 8 0.376 -3.026 9.990 63 2HB ASP 8 2HB ASP 8 0.694 -1.297 10.094 64 H CYS 9 H CYS 9 2.459 -0.780 7.485 65 HA CYS 9 HA CYS 9 3.946 -2.832 6.291 66 1HB CYS 9 1HB CYS 9 4.283 -0.228 6.314 67 2HB CYS 9 2HB CYS 9 5.307 -0.570 7.705 68 H ASP 10 H ASP 10 6.183 -3.481 7.164 69 HA ASP 10 HA ASP 10 6.018 -4.121 10.030 70 1HB ASP 10 1HB ASP 10 7.042 -6.084 7.982 71 2HB ASP 10 2HB ASP 10 6.641 -6.383 9.672 72 H THR 11 H THR 11 7.628 -2.390 7.922 73 HA THR 11 HA THR 11 10.238 -2.919 9.183 74 HB THR 11 HB THR 11 9.670 -2.290 6.291 75 HG1 THR 11 1HG THR 11 9.944 -4.404 6.349 76 1HG2 THR 11 1HG2 THR 11 11.426 -0.764 7.080 77 2HG2 THR 11 2HG2 THR 11 12.071 -1.973 5.970 78 3HG2 THR 11 3HG3 THR 11 12.335 -2.140 7.706 79 H CYS 12 H CYS 12 8.580 -0.462 7.191 80 HA CYS 12 HA CYS 12 9.987 1.654 8.596 81 1HB CYS 12 1HB CYS 12 9.382 3.046 6.867 82 2HB CYS 12 2HB CYS 12 9.342 1.494 6.036 83 H LEU 13 H LEU 13 7.013 0.004 8.804 84 HA LEU 13 HA LEU 13 5.262 0.196 10.248 85 1HB LEU 13 1HB LEU 13 6.524 2.608 11.492 86 2HB LEU 13 2HB LEU 13 5.501 1.381 12.237 87 HG LEU 13 HG LEU 13 8.424 1.232 11.564 88 1HD1 LEU 13 1HD1 LEU 13 7.485 0.181 14.099 89 2HD1 LEU 13 2HD1 LEU 13 7.040 1.871 13.867 90 3HD1 LEU 13 3HD1 LEU 13 8.732 1.383 13.762 91 1HD2 LEU 13 1HD2 LEU 13 6.451 -0.987 11.877 92 2HD2 LEU 13 2HD2 LEU 13 8.097 -1.189 12.476 93 3HD2 LEU 13 3HD2 LEU 13 7.816 -0.843 10.769 94 H VAL 14 H VAL 14 4.183 0.877 8.233 95 HA VAL 14 HA VAL 14 2.862 3.430 8.644 96 HB VAL 14 HB VAL 14 4.344 2.814 6.085 97 1HG1 VAL 14 1HG1 VAL 14 2.360 4.992 6.718 98 2HG1 VAL 14 2HG1 VAL 14 3.423 4.997 5.311 99 3HG1 VAL 14 3HG1 VAL 14 2.211 3.730 5.496 100 1HG2 VAL 14 1HG2 VAL 14 4.601 5.192 7.916 101 2HG2 VAL 14 2HG2 VAL 14 5.650 3.777 7.994 102 3HG2 VAL 14 3HG2 VAL 14 5.624 4.776 6.541 103 H GLN 15 H GLN 15 0.758 3.301 8.152 104 HA GLN 15 HA GLN 15 -0.272 0.814 7.111 105 1HB GLN 15 1HB GLN 15 -1.453 3.253 8.368 106 2HB GLN 15 2HB GLN 15 -2.499 2.198 7.427 107 1HG GLN 15 1HG GLN 15 -1.422 0.330 8.922 108 2HG GLN 15 2HG GLN 15 -1.109 1.687 10.003 109 1HE2 GLN 15 2HE2 GLN 15 -2.630 2.091 11.427 110 2HE2 GLN 15 1HE2 GLN 15 -4.304 1.688 11.278 111 H ASN 16 H ASN 16 -1.602 0.587 5.279 112 HA ASN 16 HA ASN 16 -1.789 2.826 3.427 113 1HB ASN 16 1HB ASN 16 -0.751 0.275 2.277 114 2HB ASN 16 2HB ASN 16 -0.531 1.929 1.716 115 1HD2 ASN 16 2HD2 ASN 16 0.283 -0.148 4.470 116 2HD2 ASN 16 1HD2 ASN 16 1.880 0.473 4.687 117 H LYS 17 H LYS 17 -3.205 2.361 1.588 118 HA LYS 17 HA LYS 17 -5.490 0.835 2.426 119 1HB LYS 17 1HB LYS 17 -6.627 1.803 0.605 120 2HB LYS 17 2HB LYS 17 -5.519 3.052 1.160 121 1HG LYS 17 1HG LYS 17 -4.040 2.668 -0.655 122 2HG LYS 17 2HG LYS 17 -4.898 1.198 -1.125 123 1HD LYS 17 1HD LYS 17 -5.711 2.733 -2.650 124 2HD LYS 17 2HD LYS 17 -6.938 2.799 -1.383 125 1HE LYS 17 1HE LYS 17 -4.598 4.660 -1.313 126 2HE LYS 17 2HE LYS 17 -5.970 5.006 -2.363 127 1HZ LYS 17 1HZ LYS 17 -6.951 5.894 -0.603 128 2HZ LYS 17 2HZ LYS 17 -5.733 5.358 0.441 129 3HZ LYS 17 3HZ LYS 17 -7.046 4.353 0.088 130 HA PRO 18 HA PRO 18 -4.663 -2.963 0.376 131 1HB PRO 18 1HB PRO 18 -7.194 -3.790 -0.150 132 2HB PRO 18 2HB PRO 18 -6.499 -3.800 1.474 133 1HG PRO 18 1HG PRO 18 -8.331 -1.799 0.212 134 2HG PRO 18 2HG PRO 18 -8.377 -2.482 1.847 135 1HD PRO 18 1HD PRO 18 -7.361 -0.028 1.324 136 2HD PRO 18 2HD PRO 18 -6.737 -1.063 2.625 137 H GLU 19 H GLU 19 -6.131 -0.327 -1.191 138 HA GLU 19 HA GLU 19 -6.410 -1.656 -3.756 139 1HB GLU 19 1HB GLU 19 -8.078 -0.077 -3.547 140 2HB GLU 19 2HB GLU 19 -7.048 1.052 -2.679 141 1HG GLU 19 1HG GLU 19 -7.605 1.900 -4.877 142 2HG GLU 19 2HG GLU 19 -5.874 1.587 -4.747 143 H ALA 20 H ALA 20 -3.908 -0.338 -2.014 144 HA ALA 20 HA ALA 20 -2.479 0.820 -4.258 145 1HB ALA 20 1HB ALA 20 -0.637 1.051 -2.524 146 2HB ALA 20 2HB ALA 20 -2.122 1.956 -2.228 147 3HB ALA 20 3HB ALA 20 -1.813 0.458 -1.350 148 H ILE 21 H ILE 21 -0.135 0.113 -4.549 149 HA ILE 21 HA ILE 21 -0.078 -2.824 -4.704 150 HB ILE 21 HB ILE 21 1.539 -0.850 -6.318 151 1HG1 ILE 21 1HG1 ILE 21 0.039 -1.554 -8.193 152 2HG1 ILE 21 2HG1 ILE 21 -0.957 -2.408 -7.020 153 1HG2 ILE 21 1HG2 ILE 21 1.672 -3.716 -5.952 154 2HG2 ILE 21 2HG2 ILE 21 1.414 -3.285 -7.641 155 3HG2 ILE 21 3HG2 ILE 21 2.798 -2.630 -6.767 156 1HD1 ILE 21 1HD1 ILE 21 -1.565 0.009 -7.820 157 2HD1 ILE 21 2HD1 ILE 21 -1.813 -0.483 -6.143 158 3HD1 ILE 21 3HD1 ILE 21 -0.400 0.477 -6.582 159 H LYS 22 H LYS 22 1.418 -0.096 -3.280 160 HA LYS 22 HA LYS 22 3.244 -1.794 -1.826 161 1HB LYS 22 1HB LYS 22 5.180 -0.185 -2.407 162 2HB LYS 22 2HB LYS 22 4.756 -1.438 -3.566 163 1HG LYS 22 1HG LYS 22 3.395 0.252 -4.790 164 2HG LYS 22 2HG LYS 22 4.028 1.480 -3.690 165 1HD LYS 22 1HD LYS 22 5.377 1.555 -5.640 166 2HD LYS 22 2HD LYS 22 6.339 0.752 -4.397 167 1HE LYS 22 1HE LYS 22 6.518 -0.380 -6.564 168 2HE LYS 22 2HE LYS 22 5.786 -1.417 -5.341 169 1HZ LYS 22 1HZ LYS 22 4.631 -1.537 -7.476 170 2HZ LYS 22 2HZ LYS 22 4.284 0.117 -7.393 171 3HZ LYS 22 3HZ LYS 22 3.619 -0.944 -6.256 172 H CYS 23 H CYS 23 4.515 -0.468 -0.199 173 HA CYS 23 HA CYS 23 2.807 0.976 1.426 174 1HB CYS 23 1HB CYS 23 5.214 -0.048 1.829 175 2HB CYS 23 2HB CYS 23 5.726 1.604 1.500 176 H VAL 24 H VAL 24 2.994 3.261 2.111 177 HA VAL 24 HA VAL 24 3.398 5.004 -0.232 178 HB VAL 24 HB VAL 24 1.060 4.861 0.603 179 1HG1 VAL 24 1HG1 VAL 24 2.127 6.261 3.050 180 2HG1 VAL 24 2HG1 VAL 24 0.449 5.828 2.721 181 3HG1 VAL 24 3HG1 VAL 24 1.650 4.565 2.994 182 1HG2 VAL 24 1HG2 VAL 24 2.333 6.981 -0.369 183 2HG2 VAL 24 2HG2 VAL 24 0.642 7.049 0.128 184 3HG2 VAL 24 2HG3 VAL 24 1.903 7.640 1.210 185 H ALA 25 H ALA 25 5.311 4.135 1.952 186 HA ALA 25 HA ALA 25 6.275 6.830 2.575 187 1HB ALA 25 1HB ALA 25 6.972 5.514 4.854 188 2HB ALA 25 2HB ALA 25 5.575 6.579 4.691 189 3HB ALA 25 3HB ALA 25 5.378 4.834 4.523 190 H CYS 26 H CYS 26 6.973 3.349 2.647 191 HA CYS 26 HA CYS 26 9.807 3.969 2.154 192 1HB CYS 26 1HB CYS 26 10.382 1.885 3.122 193 2HB CYS 26 2HB CYS 26 9.153 2.572 4.180 194 H GLU 27 H GLU 27 6.983 2.799 0.708 195 HA GLU 27 HA GLU 27 6.560 2.073 -1.413 196 1HB GLU 27 1HB GLU 27 9.510 2.071 -1.999 197 2HB GLU 27 2HB GLU 27 8.171 2.309 -3.113 198 1HG GLU 27 1HG GLU 27 9.502 4.229 -1.308 199 2HG GLU 27 2HG GLU 27 8.858 4.454 -2.933 200 H THR 28 H THR 28 6.699 0.233 0.606 201 HA THR 28 HA THR 28 8.381 -1.984 -0.118 202 HB THR 28 HB THR 28 6.810 -1.273 2.140 203 HG1 THR 28 1HG THR 28 7.995 -3.146 2.988 204 1HG2 THR 28 1HG2 THR 28 5.615 -3.301 2.636 205 2HG2 THR 28 2HG2 THR 28 6.176 -4.051 1.142 206 3HG2 THR 28 3HG2 THR 28 5.053 -2.693 1.080 207 HA PRO 29 HA PRO 29 5.769 -3.906 -3.092 208 1HB PRO 29 1HB PRO 29 6.588 -6.478 -2.810 209 2HB PRO 29 2HB PRO 29 7.570 -5.238 -3.598 210 1HG PRO 29 1HG PRO 29 7.739 -6.296 -0.803 211 2HG PRO 29 2HG PRO 29 9.048 -5.936 -1.943 212 1HD PRO 29 1HD PRO 29 8.361 -4.253 0.063 213 2HD PRO 29 2HD PRO 29 8.988 -3.676 -1.494 214 H LYS 30 H LYS 30 3.646 -4.046 -2.688 215 HA LYS 30 HA LYS 30 2.411 -4.924 -0.378 216 1HB LYS 30 1HB LYS 30 1.162 -3.669 -1.986 217 2HB LYS 30 2HB LYS 30 1.422 -4.886 -3.229 218 1HG LYS 30 1HG LYS 30 0.148 -6.446 -1.578 219 2HG LYS 30 2HG LYS 30 -0.438 -4.925 -0.898 220 1HD LYS 30 1HD LYS 30 -0.829 -4.468 -3.532 221 2HD LYS 30 2HD LYS 30 -1.056 -6.218 -3.475 222 1HE LYS 30 1HE LYS 30 -2.893 -6.066 -2.088 223 2HE LYS 30 2HE LYS 30 -2.412 -4.495 -1.450 224 1HZ LYS 30 1HZ LYS 30 -3.547 -3.447 -3.031 225 2HZ LYS 30 2HZ LYS 30 -4.282 -4.931 -3.378 226 3HZ LYS 30 3HZ LYS 30 -2.931 -4.428 -4.265 227 HA PRO 31 HA PRO 31 2.832 -9.308 -0.376 228 1HB PRO 31 1HB PRO 31 0.718 -9.937 1.207 229 2HB PRO 31 2HB PRO 31 2.206 -9.215 1.832 230 1HG PRO 31 1HG PRO 31 -0.403 -7.905 1.174 231 2HG PRO 31 2HG PRO 31 0.653 -7.651 2.575 232 1HD PRO 31 1HD PRO 31 0.611 -5.965 0.457 233 2HD PRO 31 2HD PRO 31 2.080 -6.270 1.406 Start of MODEL 16 1 1H GLY 0 1H GLY 0 -18.864 -4.717 -3.298 2 1HA GLY 0 1HA GLY 0 -18.998 -4.693 -6.203 3 2HA GLY 0 2HA GLY 0 -19.349 -3.159 -5.419 4 H HIS 1 H HIS 1 -17.571 -3.021 -3.398 5 HA HIS 1 HA HIS 1 -14.934 -3.795 -4.032 6 1HB HIS 1 1HB HIS 1 -14.270 -1.246 -4.442 7 2HB HIS 1 2HB HIS 1 -14.677 -2.329 -5.771 8 HD1 HIS 1 HD1 HIS 1 -15.843 -0.855 -7.395 9 HD2 HIS 1 HD2 HIS 1 -17.222 -0.303 -3.514 10 HE1 HIS 1 HE1 HIS 1 -17.789 0.727 -7.591 11 H MET 2 H MET 2 -14.288 -4.068 -1.998 12 HA MET 2 HA MET 2 -15.119 -2.203 0.074 13 1HB MET 2 1HB MET 2 -14.293 -3.797 1.644 14 2HB MET 2 2HB MET 2 -15.155 -4.697 0.404 15 1HG MET 2 1HG MET 2 -13.010 -5.238 -0.666 16 2HG MET 2 2HG MET 2 -12.171 -4.383 0.626 17 1HE MET 2 1HE MET 2 -12.378 -7.228 -0.775 18 2HE MET 2 2HE MET 2 -12.033 -8.417 0.482 19 3HE MET 2 3HE MET 2 -13.682 -8.213 -0.111 20 H VAL 3 H VAL 3 -13.870 -0.653 0.917 21 HA VAL 3 HA VAL 3 -11.064 -0.524 0.037 22 HB VAL 3 HB VAL 3 -13.023 1.639 0.771 23 1HG1 VAL 3 1HG1 VAL 3 -10.946 3.137 0.271 24 2HG1 VAL 3 2HG1 VAL 3 -11.182 2.466 1.886 25 3HG1 VAL 3 3HG1 VAL 3 -10.038 1.711 0.775 26 1HG2 VAL 3 1HG2 VAL 3 -13.233 1.785 -1.435 27 2HG2 VAL 3 2HG2 VAL 3 -11.529 2.226 -1.545 28 3HG2 VAL 3 3HG2 VAL 3 -12.011 0.534 -1.666 29 H ILE 4 H ILE 4 -12.984 -1.164 2.699 30 HA ILE 4 HA ILE 4 -11.201 -0.046 4.691 31 HB ILE 4 HB ILE 4 -13.586 -0.107 5.177 32 1HG1 ILE 4 1HG1 ILE 4 -13.465 -0.974 7.404 33 2HG1 ILE 4 2HG1 ILE 4 -12.203 -2.117 6.958 34 1HG2 ILE 4 1HG2 ILE 4 -13.852 -2.942 5.679 35 2HG2 ILE 4 2HG2 ILE 4 -14.896 -1.856 4.764 36 3HG2 ILE 4 3HG2 ILE 4 -13.508 -2.610 3.981 37 1HD1 ILE 4 1HD1 ILE 4 -10.617 -0.347 6.692 38 2HD1 ILE 4 2HD1 ILE 4 -11.870 0.871 6.930 39 3HD1 ILE 4 3HD1 ILE 4 -11.396 -0.180 8.264 40 H GLY 5 H GLY 5 -9.247 -1.132 4.168 41 1HA GLY 5 1HA GLY 5 -8.858 -3.550 5.615 42 2HA GLY 5 2HA GLY 5 -8.864 -3.859 3.885 43 H THR 6 H THR 6 -7.638 -0.969 5.495 44 HA THR 6 HA THR 6 -5.274 -0.844 4.037 45 HB THR 6 HB THR 6 -4.442 0.686 5.820 46 HG1 THR 6 1HG THR 6 -5.877 1.114 7.566 47 1HG2 THR 6 1HG2 THR 6 -6.848 0.968 4.242 48 2HG2 THR 6 2HG2 THR 6 -5.576 2.147 4.570 49 3HG2 THR 6 3HG2 THR 6 -6.920 1.962 5.697 50 H TRP 7 H TRP 7 -3.240 -1.623 4.299 51 HA TRP 7 HA TRP 7 -2.875 -3.632 6.412 52 1HB TRP 7 1HB TRP 7 -0.922 -4.343 4.875 53 2HB TRP 7 2HB TRP 7 -2.567 -4.706 4.356 54 HD1 TRP 7 1HD TRP 7 -3.618 -2.847 2.522 55 HE1 TRP 7 1HE TRP 7 -2.408 -1.705 0.558 56 HE3 TRP 7 3HE TRP 7 1.215 -3.519 4.048 57 HZ2 TRP 7 2HZ TRP 7 0.246 -1.162 -0.239 58 HZ3 TRP 7 3HZ TRP 7 3.030 -2.659 2.627 59 HH2 TRP 7 2HH TRP 7 2.554 -1.507 0.528 60 H ASP 8 H ASP 8 -1.218 -3.506 7.840 61 HA ASP 8 HA ASP 8 0.266 -0.995 7.900 62 1HB ASP 8 1HB ASP 8 0.386 -3.122 10.022 63 2HB ASP 8 2HB ASP 8 0.632 -1.385 10.185 64 H CYS 9 H CYS 9 2.394 -0.819 7.531 65 HA CYS 9 HA CYS 9 3.818 -2.882 6.263 66 1HB CYS 9 1HB CYS 9 4.167 -0.280 6.264 67 2HB CYS 9 2HB CYS 9 5.238 -0.619 7.619 68 H ASP 10 H ASP 10 6.154 -3.416 7.098 69 HA ASP 10 HA ASP 10 6.101 -4.046 9.960 70 1HB ASP 10 1HB ASP 10 6.375 -6.006 7.697 71 2HB ASP 10 2HB ASP 10 7.096 -6.340 9.269 72 H THR 11 H THR 11 7.630 -2.446 7.690 73 HA THR 11 HA THR 11 10.299 -3.040 8.787 74 HB THR 11 HB THR 11 9.483 -3.193 6.057 75 HG1 THR 11 1HG THR 11 11.950 -3.447 7.448 76 1HG2 THR 11 1HG2 THR 11 11.100 -1.706 5.003 77 2HG2 THR 11 2HG2 THR 11 11.571 -1.074 6.580 78 3HG2 THR 11 3HG3 THR 11 9.947 -0.778 5.960 79 H CYS 12 H CYS 12 8.101 -0.628 7.463 80 HA CYS 12 HA CYS 12 9.804 1.481 8.620 81 1HB CYS 12 1HB CYS 12 9.260 2.907 6.898 82 2HB CYS 12 2HB CYS 12 9.201 1.366 6.047 83 H LEU 13 H LEU 13 6.988 -0.222 9.061 84 HA LEU 13 HA LEU 13 5.164 0.034 10.393 85 1HB LEU 13 1HB LEU 13 7.131 1.945 11.550 86 2HB LEU 13 2HB LEU 13 5.467 1.997 12.128 87 HG LEU 13 HG LEU 13 5.873 -0.595 12.459 88 1HD1 LEU 13 1HD1 LEU 13 8.528 0.487 11.933 89 2HD1 LEU 13 2HD1 LEU 13 7.964 -1.184 11.944 90 3HD1 LEU 13 3HD1 LEU 13 8.416 -0.397 13.455 91 1HD2 LEU 13 1HD2 LEU 13 5.274 1.025 14.201 92 2HD2 LEU 13 2HD2 LEU 13 6.968 1.500 14.333 93 3HD2 LEU 13 3HD2 LEU 13 6.474 -0.136 14.768 94 H VAL 14 H VAL 14 4.142 0.757 8.337 95 HA VAL 14 HA VAL 14 2.814 3.302 8.782 96 HB VAL 14 HB VAL 14 4.410 2.739 6.286 97 1HG1 VAL 14 1HG1 VAL 14 3.376 5.067 5.664 98 2HG1 VAL 14 2HG1 VAL 14 2.497 3.575 5.323 99 3HG1 VAL 14 3HG1 VAL 14 2.080 4.543 6.737 100 1HG2 VAL 14 1HG2 VAL 14 5.587 3.791 8.191 101 2HG2 VAL 14 2HG2 VAL 14 5.493 4.840 6.777 102 3HG2 VAL 14 3HG2 VAL 14 4.420 5.111 8.149 103 H GLN 15 H GLN 15 0.723 3.232 8.191 104 HA GLN 15 HA GLN 15 -0.292 0.756 7.083 105 1HB GLN 15 1HB GLN 15 -1.495 3.148 8.407 106 2HB GLN 15 2HB GLN 15 -2.524 2.122 7.417 107 1HG GLN 15 1HG GLN 15 -1.732 0.178 8.799 108 2HG GLN 15 2HG GLN 15 -0.980 1.355 9.875 109 1HE2 GLN 15 2HE2 GLN 15 -2.148 1.775 11.594 110 2HE2 GLN 15 1HE2 GLN 15 -3.873 1.801 11.681 111 H ASN 16 H ASN 16 -1.526 0.565 5.203 112 HA ASN 16 HA ASN 16 -1.693 2.880 3.432 113 1HB ASN 16 1HB ASN 16 -0.686 0.345 2.220 114 2HB ASN 16 2HB ASN 16 -0.430 2.011 1.709 115 1HD2 ASN 16 2HD2 ASN 16 0.239 -0.003 4.557 116 2HD2 ASN 16 1HD2 ASN 16 1.873 0.525 4.753 117 H LYS 17 H LYS 17 -3.141 2.555 1.623 118 HA LYS 17 HA LYS 17 -5.473 1.101 2.364 119 1HB LYS 17 1HB LYS 17 -6.501 2.064 0.481 120 2HB LYS 17 2HB LYS 17 -5.344 3.273 1.020 121 1HG LYS 17 1HG LYS 17 -3.841 2.749 -0.737 122 2HG LYS 17 2HG LYS 17 -4.752 1.300 -1.169 123 1HD LYS 17 1HD LYS 17 -5.346 2.907 -2.782 124 2HD LYS 17 2HD LYS 17 -6.702 2.865 -1.653 125 1HE LYS 17 1HE LYS 17 -6.293 5.147 -2.040 126 2HE LYS 17 2HE LYS 17 -5.573 4.810 -0.467 127 1HZ LYS 17 1HZ LYS 17 -4.308 5.586 -2.947 128 2HZ LYS 17 2HZ LYS 17 -3.518 4.340 -2.120 129 3HZ LYS 17 3HZ LYS 17 -3.798 5.820 -1.351 130 HA PRO 18 HA PRO 18 -4.709 -2.804 0.493 131 1HB PRO 18 1HB PRO 18 -7.262 -3.588 0.006 132 2HB PRO 18 2HB PRO 18 -6.561 -3.551 1.628 133 1HG PRO 18 1HG PRO 18 -8.348 -1.556 0.289 134 2HG PRO 18 2HG PRO 18 -8.407 -2.173 1.951 135 1HD PRO 18 1HD PRO 18 -7.332 0.233 1.327 136 2HD PRO 18 2HD PRO 18 -6.729 -0.764 2.667 137 H GLU 19 H GLU 19 -6.121 -0.199 -1.175 138 HA GLU 19 HA GLU 19 -6.442 -1.621 -3.685 139 1HB GLU 19 1HB GLU 19 -8.058 -0.001 -3.608 140 2HB GLU 19 2HB GLU 19 -7.056 1.107 -2.681 141 1HG GLU 19 1HG GLU 19 -5.806 1.698 -4.655 142 2HG GLU 19 2HG GLU 19 -6.687 0.504 -5.606 143 H ALA 20 H ALA 20 -3.899 -0.302 -2.005 144 HA ALA 20 HA ALA 20 -2.447 0.694 -4.318 145 1HB ALA 20 1HB ALA 20 -1.618 0.442 -1.430 146 2HB ALA 20 2HB ALA 20 -0.666 1.205 -2.704 147 3HB ALA 20 3HB ALA 20 -2.216 1.897 -2.226 148 H ILE 21 H ILE 21 -0.165 -0.081 -4.638 149 HA ILE 21 HA ILE 21 -0.133 -3.018 -4.522 150 HB ILE 21 HB ILE 21 0.145 -1.499 -6.716 151 1HG1 ILE 21 1HG1 ILE 21 0.346 -4.148 -6.116 152 2HG1 ILE 21 2HG1 ILE 21 0.531 -3.483 -7.736 153 1HG2 ILE 21 1HG2 ILE 21 2.966 -1.936 -5.746 154 2HG2 ILE 21 2HG2 ILE 21 2.499 -1.332 -7.335 155 3HG2 ILE 21 3HG2 ILE 21 2.152 -0.379 -5.893 156 1HD1 ILE 21 1HD1 ILE 21 2.296 -5.100 -7.051 157 2HD1 ILE 21 2HD1 ILE 21 2.902 -3.522 -7.557 158 3HD1 ILE 21 3HD1 ILE 21 2.822 -3.929 -5.843 159 H LYS 22 H LYS 22 1.525 -0.163 -3.495 160 HA LYS 22 HA LYS 22 3.393 -1.819 -1.973 161 1HB LYS 22 1HB LYS 22 5.235 -0.170 -2.549 162 2HB LYS 22 2HB LYS 22 4.761 -1.282 -3.827 163 1HG LYS 22 1HG LYS 22 4.886 0.688 -4.982 164 2HG LYS 22 2HG LYS 22 3.179 0.673 -4.537 165 1HD LYS 22 1HD LYS 22 3.632 2.136 -2.651 166 2HD LYS 22 2HD LYS 22 5.359 2.101 -3.014 167 1HE LYS 22 1HE LYS 22 4.230 4.153 -3.818 168 2HE LYS 22 2HE LYS 22 4.992 3.227 -5.110 169 1HZ LYS 22 1HZ LYS 22 2.254 2.494 -4.647 170 2HZ LYS 22 2HZ LYS 22 3.039 2.876 -6.094 171 3HZ LYS 22 3HZ LYS 22 2.433 4.111 -5.110 172 H CYS 23 H CYS 23 4.707 -0.310 -0.443 173 HA CYS 23 HA CYS 23 2.840 1.023 1.215 174 1HB CYS 23 1HB CYS 23 5.135 -0.122 1.778 175 2HB CYS 23 2HB CYS 23 5.789 1.483 1.463 176 H VAL 24 H VAL 24 2.751 3.236 1.805 177 HA VAL 24 HA VAL 24 3.488 5.032 -0.395 178 HB VAL 24 HB VAL 24 1.087 4.899 0.322 179 1HG1 VAL 24 1HG1 VAL 24 2.160 6.234 2.805 180 2HG1 VAL 24 2HG1 VAL 24 0.453 6.096 2.384 181 3HG1 VAL 24 3HG1 VAL 24 1.402 4.645 2.709 182 1HG2 VAL 24 1HG2 VAL 24 0.802 6.999 -0.406 183 2HG2 VAL 24 2HG2 VAL 24 1.751 7.687 0.911 184 3HG2 VAL 24 2HG3 VAL 24 2.563 7.043 -0.516 185 H ALA 25 H ALA 25 5.115 4.052 2.043 186 HA ALA 25 HA ALA 25 6.070 6.728 2.807 187 1HB ALA 25 1HB ALA 25 5.029 6.099 4.776 188 2HB ALA 25 2HB ALA 25 5.458 4.398 4.580 189 3HB ALA 25 3HB ALA 25 6.692 5.572 5.040 190 H CYS 26 H CYS 26 6.873 3.267 2.669 191 HA CYS 26 HA CYS 26 9.694 4.007 2.277 192 1HB CYS 26 1HB CYS 26 10.314 1.871 3.129 193 2HB CYS 26 2HB CYS 26 9.090 2.507 4.224 194 H GLU 27 H GLU 27 6.943 2.803 0.720 195 HA GLU 27 HA GLU 27 6.580 2.140 -1.431 196 1HB GLU 27 1HB GLU 27 9.536 2.385 -1.952 197 2HB GLU 27 2HB GLU 27 8.213 2.526 -3.101 198 1HG GLU 27 1HG GLU 27 8.660 4.720 -2.860 199 2HG GLU 27 2HG GLU 27 7.563 4.542 -1.491 200 H THR 28 H THR 28 6.766 0.202 0.456 201 HA THR 28 HA THR 28 8.554 -1.882 -0.506 202 HB THR 28 HB THR 28 7.035 -1.402 1.947 203 HG1 THR 28 1HG THR 28 9.364 -2.830 1.175 204 1HG2 THR 28 1HG2 THR 28 7.003 -4.121 0.660 205 2HG2 THR 28 2HG2 THR 28 5.664 -3.227 1.381 206 3HG2 THR 28 3HG2 THR 28 6.919 -3.917 2.410 207 HA PRO 29 HA PRO 29 5.599 -3.828 -3.126 208 1HB PRO 29 1HB PRO 29 6.585 -6.358 -3.095 209 2HB PRO 29 2HB PRO 29 7.362 -5.034 -3.971 210 1HG PRO 29 1HG PRO 29 8.032 -6.184 -1.289 211 2HG PRO 29 2HG PRO 29 9.120 -5.706 -2.604 212 1HD PRO 29 1HD PRO 29 8.679 -4.142 -0.439 213 2HD PRO 29 2HD PRO 29 9.017 -3.471 -2.047 214 H LYS 30 H LYS 30 3.579 -4.116 -2.408 215 HA LYS 30 HA LYS 30 2.824 -5.217 0.040 216 1HB LYS 30 1HB LYS 30 1.282 -3.832 -1.156 217 2HB LYS 30 2HB LYS 30 1.302 -4.907 -2.548 218 1HG LYS 30 1HG LYS 30 0.420 -6.640 -0.745 219 2HG LYS 30 2HG LYS 30 -0.143 -5.156 0.025 220 1HD LYS 30 1HD LYS 30 -0.670 -5.350 -2.864 221 2HD LYS 30 2HD LYS 30 -1.531 -6.521 -1.860 222 1HE LYS 30 1HE LYS 30 -2.392 -4.695 -0.478 223 2HE LYS 30 2HE LYS 30 -1.527 -3.527 -1.476 224 1HZ LYS 30 1HZ LYS 30 -3.486 -3.440 -2.546 225 2HZ LYS 30 2HZ LYS 30 -3.986 -4.968 -2.019 226 3HZ LYS 30 3HZ LYS 30 -2.923 -4.831 -3.328 227 HA PRO 31 HA PRO 31 3.267 -9.563 -0.521 228 1HB PRO 31 1HB PRO 31 1.501 -10.416 1.356 229 2HB PRO 31 2HB PRO 31 3.076 -9.724 1.764 230 1HG PRO 31 1HG PRO 31 0.379 -8.424 1.760 231 2HG PRO 31 2HG PRO 31 1.683 -8.291 2.955 232 1HD PRO 31 1HD PRO 31 1.224 -6.391 1.082 233 2HD PRO 31 2HD PRO 31 2.850 -6.753 1.695 Start of MODEL 17 1 1H GLY 0 1H GLY 0 -19.427 -3.246 7.129 2 1HA GLY 0 1HA GLY 0 -21.417 -1.948 6.769 3 2HA GLY 0 2HA GLY 0 -21.314 -2.213 8.503 4 H HIS 1 H HIS 1 -18.828 -0.359 8.327 5 HA HIS 1 HA HIS 1 -20.305 2.182 8.161 6 1HB HIS 1 1HB HIS 1 -19.846 1.285 10.538 7 2HB HIS 1 2HB HIS 1 -18.165 1.702 10.222 8 HD1 HIS 1 HD1 HIS 1 -17.517 4.018 10.809 9 HD2 HIS 1 HD2 HIS 1 -21.616 3.651 10.237 10 HE1 HIS 1 HE1 HIS 1 -18.483 6.264 11.402 11 H MET 2 H MET 2 -17.175 0.553 8.051 12 HA MET 2 HA MET 2 -16.269 2.121 5.877 13 1HB MET 2 1HB MET 2 -14.427 3.308 6.982 14 2HB MET 2 2HB MET 2 -15.990 3.840 7.589 15 1HG MET 2 1HG MET 2 -15.667 2.287 9.522 16 2HG MET 2 2HG MET 2 -14.027 2.012 8.942 17 1HE MET 2 1HE MET 2 -12.021 4.472 9.178 18 2HE MET 2 2HE MET 2 -12.156 4.188 10.913 19 3HE MET 2 3HE MET 2 -12.330 2.844 9.783 20 H VAL 3 H VAL 3 -15.142 0.679 4.765 21 HA VAL 3 HA VAL 3 -14.213 -1.755 5.712 22 HB VAL 3 HB VAL 3 -14.547 -1.219 3.315 23 1HG1 VAL 3 1HG1 VAL 3 -13.225 1.009 3.629 24 2HG1 VAL 3 2HG1 VAL 3 -11.825 0.007 3.238 25 3HG1 VAL 3 3HG1 VAL 3 -13.157 0.151 2.090 26 1HG2 VAL 3 1HG2 VAL 3 -12.140 -2.552 4.399 27 2HG2 VAL 3 2HG2 VAL 3 -13.443 -3.198 3.401 28 3HG2 VAL 3 3HG2 VAL 3 -12.158 -2.244 2.661 29 H ILE 4 H ILE 4 -12.316 -2.501 6.531 30 HA ILE 4 HA ILE 4 -10.189 -0.520 7.013 31 HB ILE 4 HB ILE 4 -9.702 -1.892 9.116 32 1HG1 ILE 4 1HG1 ILE 4 -12.598 -2.687 8.791 33 2HG1 ILE 4 2HG1 ILE 4 -11.256 -3.759 8.410 34 1HG2 ILE 4 1HG2 ILE 4 -12.292 -0.356 9.107 35 2HG2 ILE 4 2HG2 ILE 4 -11.162 -0.550 10.446 36 3HG2 ILE 4 3HG2 ILE 4 -10.699 0.398 9.033 37 1HD1 ILE 4 1HD1 ILE 4 -12.131 -2.714 11.069 38 2HD1 ILE 4 2HD1 ILE 4 -11.880 -4.381 10.552 39 3HD1 ILE 4 3HD1 ILE 4 -10.495 -3.322 10.820 40 H GLY 5 H GLY 5 -9.935 -1.911 4.770 41 1HA GLY 5 1HA GLY 5 -8.545 -4.409 5.190 42 2HA GLY 5 2HA GLY 5 -8.788 -3.593 3.653 43 H THR 6 H THR 6 -7.679 -1.100 5.112 44 HA THR 6 HA THR 6 -5.239 -0.877 4.013 45 HB THR 6 HB THR 6 -4.567 0.587 5.961 46 HG1 THR 6 1HG THR 6 -6.400 0.974 7.439 47 1HG2 THR 6 1HG2 THR 6 -6.858 1.987 5.629 48 2HG2 THR 6 2HG2 THR 6 -6.957 0.881 4.259 49 3HG2 THR 6 3HG2 THR 6 -5.556 1.936 4.441 50 H TRP 7 H TRP 7 -3.291 -1.788 4.174 51 HA TRP 7 HA TRP 7 -2.851 -3.723 6.332 52 1HB TRP 7 1HB TRP 7 -0.890 -4.404 4.796 53 2HB TRP 7 2HB TRP 7 -2.527 -4.795 4.275 54 HD1 TRP 7 1HD TRP 7 -3.607 -2.961 2.434 55 HE1 TRP 7 1HE TRP 7 -2.413 -1.802 0.471 56 HE3 TRP 7 3HE TRP 7 1.234 -3.538 3.973 57 HZ2 TRP 7 2HZ TRP 7 0.231 -1.211 -0.322 58 HZ3 TRP 7 3HZ TRP 7 3.037 -2.648 2.555 59 HH2 TRP 7 2HH TRP 7 2.543 -1.509 0.452 60 H ASP 8 H ASP 8 -1.176 -3.572 7.744 61 HA ASP 8 HA ASP 8 0.215 -1.016 7.839 62 1HB ASP 8 1HB ASP 8 0.638 -3.133 9.899 63 2HB ASP 8 2HB ASP 8 0.526 -1.386 10.092 64 H CYS 9 H CYS 9 2.437 -0.770 7.835 65 HA CYS 9 HA CYS 9 3.894 -2.754 6.351 66 1HB CYS 9 1HB CYS 9 4.130 -0.229 6.112 67 2HB CYS 9 2HB CYS 9 5.032 -0.265 7.622 68 H ASP 10 H ASP 10 5.994 -3.592 7.028 69 HA ASP 10 HA ASP 10 6.182 -3.964 9.945 70 1HB ASP 10 1HB ASP 10 5.353 -5.954 8.435 71 2HB ASP 10 2HB ASP 10 7.068 -6.118 8.064 72 H THR 11 H THR 11 7.571 -2.297 7.728 73 HA THR 11 HA THR 11 10.310 -2.941 8.602 74 HB THR 11 HB THR 11 9.323 -2.307 5.840 75 HG1 THR 11 1HG THR 11 9.783 -4.492 6.523 76 1HG2 THR 11 1HG2 THR 11 10.959 -0.637 6.014 77 2HG2 THR 11 2HG2 THR 11 11.816 -1.999 5.291 78 3HG2 THR 11 3HG3 THR 11 12.011 -1.645 7.007 79 H CYS 12 H CYS 12 8.181 -0.420 7.281 80 HA CYS 12 HA CYS 12 9.846 1.593 8.642 81 1HB CYS 12 1HB CYS 12 9.424 3.101 6.956 82 2HB CYS 12 2HB CYS 12 9.378 1.599 6.040 83 H LEU 13 H LEU 13 7.064 -0.099 9.001 84 HA LEU 13 HA LEU 13 5.176 0.142 10.247 85 1HB LEU 13 1HB LEU 13 6.337 2.553 11.568 86 2HB LEU 13 2HB LEU 13 5.382 1.245 12.263 87 HG LEU 13 HG LEU 13 8.281 1.073 11.440 88 1HD1 LEU 13 1HD1 LEU 13 8.316 2.313 13.388 89 2HD1 LEU 13 2HD1 LEU 13 8.446 0.663 13.995 90 3HD1 LEU 13 3HD1 LEU 13 6.897 1.504 14.054 91 1HD2 LEU 13 1HD2 LEU 13 6.290 -0.937 12.373 92 2HD2 LEU 13 2HD2 LEU 13 7.968 -1.091 12.894 93 3HD2 LEU 13 3HD2 LEU 13 7.574 -1.092 11.174 94 H VAL 14 H VAL 14 3.707 0.744 8.700 95 HA VAL 14 HA VAL 14 2.512 3.289 8.946 96 HB VAL 14 HB VAL 14 4.608 3.099 6.967 97 1HG1 VAL 14 1HG1 VAL 14 1.852 3.785 5.955 98 2HG1 VAL 14 2HG1 VAL 14 3.357 4.096 5.088 99 3HG1 VAL 14 3HG1 VAL 14 2.861 2.438 5.431 100 1HG2 VAL 14 1HG2 VAL 14 2.879 5.496 7.336 101 2HG2 VAL 14 2HG2 VAL 14 3.859 4.938 8.693 102 3HG2 VAL 14 3HG2 VAL 14 4.632 5.384 7.172 103 H GLN 15 H GLN 15 0.441 3.204 8.264 104 HA GLN 15 HA GLN 15 -0.479 0.712 7.100 105 1HB GLN 15 1HB GLN 15 -2.018 3.122 8.081 106 2HB GLN 15 2HB GLN 15 -2.737 1.606 7.557 107 1HG GLN 15 1HG GLN 15 -1.709 0.429 9.382 108 2HG GLN 15 2HG GLN 15 -0.825 1.876 9.864 109 1HE2 GLN 15 2HE2 GLN 15 -2.885 0.131 11.198 110 2HE2 GLN 15 1HE2 GLN 15 -4.079 1.240 11.772 111 H ASN 16 H ASN 16 -1.583 0.499 5.164 112 HA ASN 16 HA ASN 16 -1.811 2.847 3.439 113 1HB ASN 16 1HB ASN 16 -0.660 0.380 2.214 114 2HB ASN 16 2HB ASN 16 -0.460 2.065 1.741 115 1HD2 ASN 16 2HD2 ASN 16 0.195 0.046 4.590 116 2HD2 ASN 16 1HD2 ASN 16 1.801 0.630 4.841 117 H LYS 17 H LYS 17 -3.334 2.643 1.770 118 HA LYS 17 HA LYS 17 -5.576 1.055 2.347 119 1HB LYS 17 1HB LYS 17 -6.586 2.028 0.477 120 2HB LYS 17 2HB LYS 17 -5.422 3.242 0.993 121 1HG LYS 17 1HG LYS 17 -3.936 2.701 -0.763 122 2HG LYS 17 2HG LYS 17 -4.827 1.230 -1.159 123 1HD LYS 17 1HD LYS 17 -5.375 2.881 -2.799 124 2HD LYS 17 2HD LYS 17 -6.783 2.672 -1.755 125 1HE LYS 17 1HE LYS 17 -4.746 4.814 -1.236 126 2HE LYS 17 2HE LYS 17 -6.071 5.062 -2.373 127 1HZ LYS 17 1HZ LYS 17 -7.018 3.990 0.081 128 2HZ LYS 17 2HZ LYS 17 -7.466 5.418 -0.706 129 3HZ LYS 17 3HZ LYS 17 -6.147 5.414 0.353 130 HA PRO 18 HA PRO 18 -4.622 -2.822 0.499 131 1HB PRO 18 1HB PRO 18 -7.141 -3.713 0.013 132 2HB PRO 18 2HB PRO 18 -6.443 -3.645 1.635 133 1HG PRO 18 1HG PRO 18 -8.311 -1.728 0.295 134 2HG PRO 18 2HG PRO 18 -8.344 -2.345 1.958 135 1HD PRO 18 1HD PRO 18 -7.371 0.102 1.332 136 2HD PRO 18 2HD PRO 18 -6.727 -0.866 2.672 137 H GLU 19 H GLU 19 -6.118 -0.273 -1.173 138 HA GLU 19 HA GLU 19 -6.395 -1.710 -3.680 139 1HB GLU 19 1HB GLU 19 -6.594 1.267 -3.467 140 2HB GLU 19 2HB GLU 19 -7.486 0.163 -4.504 141 1HG GLU 19 1HG GLU 19 -7.880 0.611 -1.558 142 2HG GLU 19 2HG GLU 19 -8.977 1.050 -2.866 143 H ALA 20 H ALA 20 -3.902 -0.286 -2.001 144 HA ALA 20 HA ALA 20 -2.487 0.810 -4.275 145 1HB ALA 20 1HB ALA 20 -1.367 0.315 -1.528 146 2HB ALA 20 2HB ALA 20 -0.808 1.462 -2.745 147 3HB ALA 20 3HB ALA 20 -2.347 1.727 -1.926 148 H ILE 21 H ILE 21 -0.105 0.097 -4.499 149 HA ILE 21 HA ILE 21 -0.067 -2.845 -4.640 150 HB ILE 21 HB ILE 21 0.104 -2.123 -6.844 151 1HG1 ILE 21 1HG1 ILE 21 2.438 -2.530 -7.528 152 2HG1 ILE 21 2HG1 ILE 21 2.961 -2.306 -5.861 153 1HG2 ILE 21 1HG2 ILE 21 1.993 -0.268 -7.278 154 2HG2 ILE 21 2HG2 ILE 21 0.301 0.123 -6.973 155 3HG2 ILE 21 3HG2 ILE 21 1.476 0.204 -5.660 156 1HD1 ILE 21 1HD1 ILE 21 1.310 -4.237 -5.356 157 2HD1 ILE 21 2HD1 ILE 21 1.452 -4.567 -7.083 158 3HD1 ILE 21 3HD1 ILE 21 2.888 -4.594 -6.059 159 H LYS 22 H LYS 22 1.395 -0.119 -3.223 160 HA LYS 22 HA LYS 22 3.269 -1.786 -1.799 161 1HB LYS 22 1HB LYS 22 5.179 -0.156 -2.396 162 2HB LYS 22 2HB LYS 22 4.755 -1.404 -3.559 163 1HG LYS 22 1HG LYS 22 4.913 0.403 -4.937 164 2HG LYS 22 2HG LYS 22 3.198 0.475 -4.527 165 1HD LYS 22 1HD LYS 22 3.605 2.169 -2.874 166 2HD LYS 22 2HD LYS 22 5.352 2.005 -3.072 167 1HE LYS 22 1HE LYS 22 3.528 2.812 -5.325 168 2HE LYS 22 2HE LYS 22 4.252 3.983 -4.223 169 1HZ LYS 22 1HZ LYS 22 5.619 3.799 -6.152 170 2HZ LYS 22 2HZ LYS 22 5.687 2.114 -6.027 171 3HZ LYS 22 3HZ LYS 22 6.448 3.080 -4.865 172 H CYS 23 H CYS 23 4.566 -0.410 -0.209 173 HA CYS 23 HA CYS 23 2.818 1.033 1.412 174 1HB CYS 23 1HB CYS 23 5.166 -0.059 1.892 175 2HB CYS 23 2HB CYS 23 5.761 1.561 1.539 176 H VAL 24 H VAL 24 3.020 3.309 2.095 177 HA VAL 24 HA VAL 24 3.530 5.044 -0.231 178 HB VAL 24 HB VAL 24 1.178 4.986 0.518 179 1HG1 VAL 24 1HG1 VAL 24 0.483 5.401 2.637 180 2HG1 VAL 24 2HG1 VAL 24 2.089 4.779 3.020 181 3HG1 VAL 24 3HG1 VAL 24 1.805 6.519 2.971 182 1HG2 VAL 24 1HG2 VAL 24 1.949 7.711 1.303 183 2HG2 VAL 24 2HG2 VAL 24 2.646 7.146 -0.214 184 3HG2 VAL 24 2HG3 VAL 24 0.897 7.159 0.001 185 H ALA 25 H ALA 25 5.330 4.114 2.061 186 HA ALA 25 HA ALA 25 6.342 6.793 2.712 187 1HB ALA 25 1HB ALA 25 6.635 6.336 4.983 188 2HB ALA 25 2HB ALA 25 5.028 5.705 4.623 189 3HB ALA 25 3HB ALA 25 6.397 4.602 4.760 190 H CYS 26 H CYS 26 6.994 3.313 2.585 191 HA CYS 26 HA CYS 26 9.843 3.928 2.154 192 1HB CYS 26 1HB CYS 26 10.394 1.783 3.037 193 2HB CYS 26 2HB CYS 26 9.236 2.503 4.150 194 H GLU 27 H GLU 27 7.005 2.755 0.708 195 HA GLU 27 HA GLU 27 6.580 2.101 -1.439 196 1HB GLU 27 1HB GLU 27 9.529 2.084 -2.023 197 2HB GLU 27 2HB GLU 27 8.193 2.357 -3.134 198 1HG GLU 27 1HG GLU 27 7.955 4.541 -2.539 199 2HG GLU 27 2HG GLU 27 8.559 4.278 -0.904 200 H THR 28 H THR 28 6.833 0.239 0.625 201 HA THR 28 HA THR 28 8.444 -1.982 -0.197 202 HB THR 28 HB THR 28 6.835 -1.312 2.088 203 HG1 THR 28 1HG THR 28 8.709 -2.042 2.747 204 1HG2 THR 28 1HG2 THR 28 6.418 -4.097 0.991 205 2HG2 THR 28 2HG2 THR 28 5.180 -2.850 1.145 206 3HG2 THR 28 3HG2 THR 28 5.927 -3.534 2.589 207 HA PRO 29 HA PRO 29 5.742 -3.859 -3.119 208 1HB PRO 29 1HB PRO 29 6.537 -6.443 -2.874 209 2HB PRO 29 2HB PRO 29 7.516 -5.209 -3.675 210 1HG PRO 29 1HG PRO 29 7.735 -6.290 -0.892 211 2HG PRO 29 2HG PRO 29 9.022 -5.937 -2.058 212 1HD PRO 29 1HD PRO 29 8.400 -4.261 -0.025 213 2HD PRO 29 2HD PRO 29 8.999 -3.680 -1.592 214 H LYS 30 H LYS 30 3.629 -3.991 -2.681 215 HA LYS 30 HA LYS 30 2.425 -4.854 -0.352 216 1HB LYS 30 1HB LYS 30 1.160 -3.598 -1.948 217 2HB LYS 30 2HB LYS 30 1.387 -4.827 -3.186 218 1HG LYS 30 1HG LYS 30 0.138 -6.355 -1.463 219 2HG LYS 30 2HG LYS 30 -0.448 -4.809 -0.843 220 1HD LYS 30 1HD LYS 30 -0.860 -4.440 -3.476 221 2HD LYS 30 2HD LYS 30 -1.052 -6.192 -3.382 222 1HE LYS 30 1HE LYS 30 -2.898 -6.050 -2.014 223 2HE LYS 30 2HE LYS 30 -2.440 -4.469 -1.382 224 1HZ LYS 30 1HZ LYS 30 -3.566 -3.437 -2.984 225 2HZ LYS 30 2HZ LYS 30 -4.310 -4.924 -3.292 226 3HZ LYS 30 3HZ LYS 30 -2.967 -4.446 -4.202 227 HA PRO 31 HA PRO 31 2.821 -9.240 -0.335 228 1HB PRO 31 1HB PRO 31 0.729 -9.850 1.285 229 2HB PRO 31 2HB PRO 31 2.231 -9.134 1.882 230 1HG PRO 31 1HG PRO 31 -0.382 -7.811 1.261 231 2HG PRO 31 2HG PRO 31 0.700 -7.558 2.642 232 1HD PRO 31 1HD PRO 31 0.634 -5.880 0.517 233 2HD PRO 31 2HD PRO 31 2.116 -6.189 1.444 Start of MODEL 18 1 1H GLY 0 1H GLY 0 -11.988 8.396 9.719 2 1HA GLY 0 1HA GLY 0 -11.141 7.151 7.407 3 2HA GLY 0 2HA GLY 0 -11.739 6.295 8.821 4 H HIS 1 H HIS 1 -12.194 5.032 6.573 5 HA HIS 1 HA HIS 1 -14.917 5.729 5.713 6 1HB HIS 1 1HB HIS 1 -12.770 4.043 4.427 7 2HB HIS 1 2HB HIS 1 -14.434 4.065 3.852 8 HD1 HIS 1 HD1 HIS 1 -11.293 5.613 3.237 9 HD2 HIS 1 HD2 HIS 1 -15.236 6.921 3.247 10 HE1 HIS 1 HE1 HIS 1 -11.299 7.738 1.892 11 H MET 2 H MET 2 -16.030 3.502 4.908 12 HA MET 2 HA MET 2 -16.527 2.064 7.344 13 1HB MET 2 1HB MET 2 -18.336 2.645 5.764 14 2HB MET 2 2HB MET 2 -17.613 1.583 4.563 15 1HG MET 2 1HG MET 2 -19.572 0.661 5.855 16 2HG MET 2 2HG MET 2 -18.124 -0.343 5.796 17 1HE MET 2 1HE MET 2 -16.961 -1.210 8.504 18 2HE MET 2 2HE MET 2 -18.585 -1.603 9.069 19 3HE MET 2 3HE MET 2 -18.183 -1.758 7.357 20 H VAL 3 H VAL 3 -14.037 1.832 5.343 21 HA VAL 3 HA VAL 3 -13.825 -1.089 5.667 22 HB VAL 3 HB VAL 3 -14.143 -0.397 3.275 23 1HG1 VAL 3 1HG1 VAL 3 -12.571 0.860 2.117 24 2HG1 VAL 3 2HG1 VAL 3 -12.690 1.708 3.660 25 3HG1 VAL 3 3HG1 VAL 3 -11.330 0.628 3.349 26 1HG2 VAL 3 1HG2 VAL 3 -11.409 -1.528 3.418 27 2HG2 VAL 3 2HG2 VAL 3 -12.682 -2.387 4.284 28 3HG2 VAL 3 3HG2 VAL 3 -12.832 -2.105 2.550 29 H ILE 4 H ILE 4 -12.068 -1.783 6.716 30 HA ILE 4 HA ILE 4 -9.838 0.107 7.093 31 HB ILE 4 HB ILE 4 -9.470 -1.009 9.315 32 1HG1 ILE 4 1HG1 ILE 4 -12.301 -1.997 8.939 33 2HG1 ILE 4 2HG1 ILE 4 -10.881 -3.019 8.742 34 1HG2 ILE 4 1HG2 ILE 4 -12.167 0.297 9.227 35 2HG2 ILE 4 2HG2 ILE 4 -10.902 0.445 10.445 36 3HG2 ILE 4 3HG2 ILE 4 -10.697 1.200 8.864 37 1HD1 ILE 4 1HD1 ILE 4 -11.585 -3.464 10.901 38 2HD1 ILE 4 2HD1 ILE 4 -10.292 -2.287 11.134 39 3HD1 ILE 4 3HD1 ILE 4 -11.978 -1.777 11.228 40 H GLY 5 H GLY 5 -10.051 -1.876 5.030 41 1HA GLY 5 1HA GLY 5 -8.600 -4.223 5.730 42 2HA GLY 5 2HA GLY 5 -8.890 -3.632 4.101 43 H THR 6 H THR 6 -7.612 -1.018 5.320 44 HA THR 6 HA THR 6 -5.251 -0.970 4.027 45 HB THR 6 HB THR 6 -4.397 0.630 5.752 46 HG1 THR 6 1HG THR 6 -6.360 -0.592 7.211 47 1HG2 THR 6 1HG2 THR 6 -6.823 0.831 4.186 48 2HG2 THR 6 2HG2 THR 6 -5.552 2.025 4.445 49 3HG2 THR 6 3HG2 THR 6 -6.880 1.887 5.597 50 H TRP 7 H TRP 7 -3.243 -1.794 4.204 51 HA TRP 7 HA TRP 7 -2.781 -3.730 6.353 52 1HB TRP 7 1HB TRP 7 -0.784 -4.341 4.821 53 2HB TRP 7 2HB TRP 7 -2.408 -4.775 4.295 54 HD1 TRP 7 1HD TRP 7 -3.535 -2.993 2.448 55 HE1 TRP 7 1HE TRP 7 -2.374 -1.769 0.504 56 HE3 TRP 7 3HE TRP 7 1.310 -3.360 4.037 57 HZ2 TRP 7 2HZ TRP 7 0.248 -1.056 -0.256 58 HZ3 TRP 7 3HZ TRP 7 3.085 -2.382 2.642 59 HH2 TRP 7 2HH TRP 7 2.564 -1.254 0.540 60 H ASP 8 H ASP 8 -1.148 -3.552 7.802 61 HA ASP 8 HA ASP 8 0.269 -0.997 7.866 62 1HB ASP 8 1HB ASP 8 0.315 -3.099 10.025 63 2HB ASP 8 2HB ASP 8 0.616 -1.370 10.175 64 H CYS 9 H CYS 9 2.372 -0.800 7.442 65 HA CYS 9 HA CYS 9 3.872 -2.860 6.296 66 1HB CYS 9 1HB CYS 9 4.183 -0.264 6.230 67 2HB CYS 9 2HB CYS 9 5.203 -0.533 7.640 68 H ASP 10 H ASP 10 6.101 -3.510 7.138 69 HA ASP 10 HA ASP 10 6.038 -4.016 10.031 70 1HB ASP 10 1HB ASP 10 5.239 -5.992 8.580 71 2HB ASP 10 2HB ASP 10 6.924 -6.136 8.086 72 H THR 11 H THR 11 7.597 -2.433 7.797 73 HA THR 11 HA THR 11 10.255 -3.046 8.909 74 HB THR 11 HB THR 11 9.510 -2.451 6.054 75 HG1 THR 11 1HG THR 11 10.226 -4.623 7.415 76 1HG2 THR 11 1HG2 THR 11 11.305 -0.902 6.640 77 2HG2 THR 11 2HG2 THR 11 11.902 -2.170 5.569 78 3HG2 THR 11 3HG3 THR 11 12.254 -2.234 7.296 79 H CYS 12 H CYS 12 8.204 -0.581 7.393 80 HA CYS 12 HA CYS 12 9.862 1.497 8.654 81 1HB CYS 12 1HB CYS 12 9.354 2.929 6.927 82 2HB CYS 12 2HB CYS 12 9.287 1.389 6.074 83 H LEU 13 H LEU 13 6.978 -0.155 8.993 84 HA LEU 13 HA LEU 13 5.164 0.107 10.337 85 1HB LEU 13 1HB LEU 13 7.138 1.998 11.500 86 2HB LEU 13 2HB LEU 13 5.464 2.116 12.041 87 HG LEU 13 HG LEU 13 5.642 -0.369 12.592 88 1HD1 LEU 13 1HD1 LEU 13 7.500 -1.292 11.711 89 2HD1 LEU 13 2HD1 LEU 13 8.235 -0.717 13.207 90 3HD1 LEU 13 3HD1 LEU 13 8.396 0.228 11.727 91 1HD2 LEU 13 1HD2 LEU 13 5.772 1.654 14.171 92 2HD2 LEU 13 2HD2 LEU 13 7.506 1.327 14.218 93 3HD2 LEU 13 3HD2 LEU 13 6.360 0.099 14.759 94 H VAL 14 H VAL 14 4.022 0.761 8.393 95 HA VAL 14 HA VAL 14 2.750 3.328 8.753 96 HB VAL 14 HB VAL 14 4.337 2.738 6.256 97 1HG1 VAL 14 1HG1 VAL 14 3.227 5.205 5.873 98 2HG1 VAL 14 2HG1 VAL 14 2.646 3.705 5.149 99 3HG1 VAL 14 3HG1 VAL 14 1.905 4.317 6.627 100 1HG2 VAL 14 1HG2 VAL 14 4.404 5.000 8.247 101 2HG2 VAL 14 2HG2 VAL 14 5.642 3.769 8.000 102 3HG2 VAL 14 3HG2 VAL 14 5.321 4.962 6.742 103 H GLN 15 H GLN 15 0.659 3.244 8.169 104 HA GLN 15 HA GLN 15 -0.350 0.756 7.084 105 1HB GLN 15 1HB GLN 15 -1.616 3.196 8.292 106 2HB GLN 15 2HB GLN 15 -2.593 2.015 7.430 107 1HG GLN 15 1HG GLN 15 -2.283 0.391 9.015 108 2HG GLN 15 2HG GLN 15 -0.756 1.072 9.570 109 1HE2 GLN 15 2HE2 GLN 15 -4.158 2.062 9.311 110 2HE2 GLN 15 1HE2 GLN 15 -4.254 2.750 10.893 111 H ASN 16 H ASN 16 -1.556 0.533 5.196 112 HA ASN 16 HA ASN 16 -1.758 2.829 3.406 113 1HB ASN 16 1HB ASN 16 -0.680 0.311 2.219 114 2HB ASN 16 2HB ASN 16 -0.462 1.980 1.699 115 1HD2 ASN 16 2HD2 ASN 16 0.265 -0.063 4.510 116 2HD2 ASN 16 1HD2 ASN 16 1.872 0.528 4.736 117 H LYS 17 H LYS 17 -3.239 2.519 1.660 118 HA LYS 17 HA LYS 17 -5.511 0.975 2.373 119 1HB LYS 17 1HB LYS 17 -6.572 1.927 0.499 120 2HB LYS 17 2HB LYS 17 -5.455 3.165 1.058 121 1HG LYS 17 1HG LYS 17 -3.977 2.798 -0.718 122 2HG LYS 17 2HG LYS 17 -4.711 1.245 -1.121 123 1HD LYS 17 1HD LYS 17 -5.619 2.565 -2.760 124 2HD LYS 17 2HD LYS 17 -6.851 2.731 -1.505 125 1HE LYS 17 1HE LYS 17 -6.378 4.908 -2.373 126 2HE LYS 17 2HE LYS 17 -5.694 4.809 -0.751 127 1HZ LYS 17 1HZ LYS 17 -4.291 5.807 -2.646 128 2HZ LYS 17 2HZ LYS 17 -4.024 4.199 -3.100 129 3HZ LYS 17 3HZ LYS 17 -3.553 4.735 -1.565 130 HA PRO 18 HA PRO 18 -4.644 -2.885 0.453 131 1HB PRO 18 1HB PRO 18 -7.176 -3.737 -0.029 132 2HB PRO 18 2HB PRO 18 -6.467 -3.698 1.590 133 1HG PRO 18 1HG PRO 18 -8.318 -1.741 0.285 134 2HG PRO 18 2HG PRO 18 -8.350 -2.378 1.939 135 1HD PRO 18 1HD PRO 18 -7.349 0.065 1.338 136 2HD PRO 18 2HD PRO 18 -6.709 -0.929 2.663 137 H GLU 19 H GLU 19 -6.152 -0.305 -1.176 138 HA GLU 19 HA GLU 19 -6.440 -1.707 -3.700 139 1HB GLU 19 1HB GLU 19 -8.105 -0.139 -3.590 140 2HB GLU 19 2HB GLU 19 -7.128 0.992 -2.664 141 1HG GLU 19 1HG GLU 19 -5.934 1.662 -4.632 142 2HG GLU 19 2HG GLU 19 -6.737 0.420 -5.590 143 H ALA 20 H ALA 20 -3.930 -0.326 -2.018 144 HA ALA 20 HA ALA 20 -2.526 0.794 -4.291 145 1HB ALA 20 1HB ALA 20 -1.689 0.376 -1.426 146 2HB ALA 20 2HB ALA 20 -0.694 1.158 -2.655 147 3HB ALA 20 3HB ALA 20 -2.228 1.882 -2.171 148 H ILE 21 H ILE 21 -0.100 0.079 -4.431 149 HA ILE 21 HA ILE 21 -0.063 -2.865 -4.580 150 HB ILE 21 HB ILE 21 1.070 -2.820 -6.580 151 1HG1 ILE 21 1HG1 ILE 21 1.927 -0.001 -5.900 152 2HG1 ILE 21 2HG1 ILE 21 2.939 -1.441 -5.911 153 1HG2 ILE 21 1HG2 ILE 21 -1.128 -1.969 -7.005 154 2HG2 ILE 21 2HG2 ILE 21 -0.627 -0.331 -6.588 155 3HG2 ILE 21 3HG2 ILE 21 0.007 -1.104 -8.041 156 1HD1 ILE 21 1HD1 ILE 21 3.499 -0.394 -7.888 157 2HD1 ILE 21 2HD1 ILE 21 2.297 -1.578 -8.408 158 3HD1 ILE 21 3HD1 ILE 21 1.841 0.114 -8.208 159 H LYS 22 H LYS 22 1.384 -0.105 -3.235 160 HA LYS 22 HA LYS 22 3.367 -1.729 -1.899 161 1HB LYS 22 1HB LYS 22 5.225 -0.138 -2.505 162 2HB LYS 22 2HB LYS 22 4.675 -1.178 -3.813 163 1HG LYS 22 1HG LYS 22 3.219 0.753 -4.556 164 2HG LYS 22 2HG LYS 22 4.126 1.746 -3.413 165 1HD LYS 22 1HD LYS 22 6.220 1.039 -4.569 166 2HD LYS 22 2HD LYS 22 5.222 0.225 -5.776 167 1HE LYS 22 1HE LYS 22 5.751 2.326 -6.702 168 2HE LYS 22 2HE LYS 22 4.086 2.464 -6.136 169 1HZ LYS 22 1HZ LYS 22 5.640 3.227 -4.006 170 2HZ LYS 22 2HZ LYS 22 4.745 4.244 -5.018 171 3HZ LYS 22 3HZ LYS 22 6.378 3.948 -5.347 172 H CYS 23 H CYS 23 4.756 -0.174 -0.436 173 HA CYS 23 HA CYS 23 2.908 1.163 1.264 174 1HB CYS 23 1HB CYS 23 5.222 -0.025 1.766 175 2HB CYS 23 2HB CYS 23 5.848 1.604 1.530 176 H VAL 24 H VAL 24 2.856 3.375 1.846 177 HA VAL 24 HA VAL 24 3.626 5.157 -0.355 178 HB VAL 24 HB VAL 24 1.229 5.079 0.378 179 1HG1 VAL 24 1HG1 VAL 24 1.890 6.772 2.721 180 2HG1 VAL 24 2HG1 VAL 24 0.530 5.677 2.459 181 3HG1 VAL 24 3HG1 VAL 24 2.115 5.031 2.885 182 1HG2 VAL 24 1HG2 VAL 24 1.174 7.080 -0.581 183 2HG2 VAL 24 2HG2 VAL 24 1.643 7.826 0.946 184 3HG2 VAL 24 2HG3 VAL 24 2.880 7.319 -0.204 185 H ALA 25 H ALA 25 5.336 4.153 1.952 186 HA ALA 25 HA ALA 25 6.349 6.797 2.724 187 1HB ALA 25 1HB ALA 25 5.976 4.478 4.615 188 2HB ALA 25 2HB ALA 25 6.802 5.988 5.001 189 3HB ALA 25 3HB ALA 25 5.078 5.996 4.627 190 H CYS 26 H CYS 26 7.001 3.305 2.634 191 HA CYS 26 HA CYS 26 9.853 3.918 2.231 192 1HB CYS 26 1HB CYS 26 10.393 1.795 3.149 193 2HB CYS 26 2HB CYS 26 9.177 2.487 4.216 194 H GLU 27 H GLU 27 7.052 2.816 0.701 195 HA GLU 27 HA GLU 27 6.670 2.156 -1.451 196 1HB GLU 27 1HB GLU 27 9.595 1.989 -2.051 197 2HB GLU 27 2HB GLU 27 8.271 2.499 -3.089 198 1HG GLU 27 1HG GLU 27 8.128 4.463 -1.322 199 2HG GLU 27 2HG GLU 27 9.824 4.043 -1.095 200 H THR 28 H THR 28 6.953 0.306 0.689 201 HA THR 28 HA THR 28 8.486 -1.954 -0.159 202 HB THR 28 HB THR 28 6.763 -1.291 2.111 203 HG1 THR 28 1HG THR 28 9.217 -1.991 1.706 204 1HG2 THR 28 1HG2 THR 28 6.704 -4.061 0.930 205 2HG2 THR 28 2HG2 THR 28 5.342 -3.047 1.410 206 3HG2 THR 28 3HG2 THR 28 6.394 -3.750 2.637 207 HA PRO 29 HA PRO 29 5.672 -3.760 -3.024 208 1HB PRO 29 1HB PRO 29 6.488 -6.344 -2.860 209 2HB PRO 29 2HB PRO 29 7.428 -5.091 -3.679 210 1HG PRO 29 1HG PRO 29 7.769 -6.219 -0.927 211 2HG PRO 29 2HG PRO 29 9.004 -5.839 -2.142 212 1HD PRO 29 1HD PRO 29 8.461 -4.203 -0.054 213 2HD PRO 29 2HD PRO 29 8.990 -3.591 -1.633 214 H LYS 30 H LYS 30 3.579 -3.929 -2.518 215 HA LYS 30 HA LYS 30 2.724 -5.375 -0.155 216 1HB LYS 30 1HB LYS 30 1.596 -3.309 -0.551 217 2HB LYS 30 2HB LYS 30 1.253 -3.742 -2.220 218 1HG LYS 30 1HG LYS 30 -0.074 -5.709 -1.139 219 2HG LYS 30 2HG LYS 30 -0.062 -4.671 0.288 220 1HD LYS 30 1HD LYS 30 -1.336 -3.032 -0.732 221 2HD LYS 30 2HD LYS 30 -0.876 -3.542 -2.358 222 1HE LYS 30 1HE LYS 30 -2.152 -5.760 -1.420 223 2HE LYS 30 2HE LYS 30 -3.057 -4.470 -0.629 224 1HZ LYS 30 1HZ LYS 30 -3.468 -3.465 -2.767 225 2HZ LYS 30 2HZ LYS 30 -3.992 -5.073 -2.791 226 3HZ LYS 30 3HZ LYS 30 -2.541 -4.645 -3.549 227 HA PRO 31 HA PRO 31 1.829 -9.169 -2.203 228 1HB PRO 31 1HB PRO 31 -0.025 -10.156 -0.482 229 2HB PRO 31 2HB PRO 31 1.700 -10.097 -0.105 230 1HG PRO 31 1HG PRO 31 -0.487 -8.231 0.731 231 2HG PRO 31 2HG PRO 31 0.852 -8.889 1.691 232 1HD PRO 31 1HD PRO 31 0.893 -6.387 0.657 233 2HD PRO 31 2HD PRO 31 2.364 -7.359 0.864 Start of MODEL 19 1 1H GLY 0 1H GLY 0 -22.361 -3.745 -4.156 2 1HA GLY 0 1HA GLY 0 -21.670 -1.401 -4.114 3 2HA GLY 0 2HA GLY 0 -21.400 -1.585 -2.387 4 H HIS 1 H HIS 1 -19.443 -2.230 -1.672 5 HA HIS 1 HA HIS 1 -17.548 -3.414 -3.551 6 1HB HIS 1 1HB HIS 1 -17.233 -0.743 -2.224 7 2HB HIS 1 2HB HIS 1 -15.811 -1.725 -2.568 8 HD1 HIS 1 HD1 HIS 1 -17.749 0.867 -4.012 9 HD2 HIS 1 HD2 HIS 1 -15.876 -2.530 -5.501 10 HE1 HIS 1 HE1 HIS 1 -17.491 1.270 -6.481 11 H MET 2 H MET 2 -15.657 -4.326 -2.500 12 HA MET 2 HA MET 2 -16.036 -4.807 0.379 13 1HB MET 2 1HB MET 2 -15.101 -6.902 -1.583 14 2HB MET 2 2HB MET 2 -15.495 -7.129 0.117 15 1HG MET 2 1HG MET 2 -17.817 -6.754 -0.303 16 2HG MET 2 2HG MET 2 -17.489 -6.290 -1.971 17 1HE MET 2 1HE MET 2 -18.186 -8.880 0.553 18 2HE MET 2 2HE MET 2 -17.949 -10.446 -0.222 19 3HE MET 2 3HE MET 2 -16.560 -9.543 0.383 20 H VAL 3 H VAL 3 -14.342 -2.857 -0.700 21 HA VAL 3 HA VAL 3 -11.698 -3.998 -0.071 22 HB VAL 3 HB VAL 3 -10.747 -2.162 -1.528 23 1HG1 VAL 3 1HG1 VAL 3 -11.897 -4.692 -2.247 24 2HG1 VAL 3 2HG1 VAL 3 -11.975 -3.578 -3.615 25 3HG1 VAL 3 3HG1 VAL 3 -10.426 -3.922 -2.844 26 1HG2 VAL 3 1HG2 VAL 3 -12.045 -0.764 -2.707 27 2HG2 VAL 3 2HG2 VAL 3 -13.188 -2.035 -3.138 28 3HG2 VAL 3 3HG2 VAL 3 -13.314 -1.228 -1.575 29 H ILE 4 H ILE 4 -13.249 -3.065 1.957 30 HA ILE 4 HA ILE 4 -12.241 -0.360 2.522 31 HB ILE 4 HB ILE 4 -14.542 -1.903 3.711 32 1HG1 ILE 4 1HG1 ILE 4 -15.650 0.366 2.993 33 2HG1 ILE 4 2HG1 ILE 4 -14.243 0.499 1.943 34 1HG2 ILE 4 1HG2 ILE 4 -14.647 0.621 4.797 35 2HG2 ILE 4 2HG2 ILE 4 -14.116 -0.841 5.627 36 3HG2 ILE 4 3HG2 ILE 4 -12.930 0.224 4.873 37 1HD1 ILE 4 1HD1 ILE 4 -15.094 -2.044 1.442 38 2HD1 ILE 4 2HD1 ILE 4 -16.609 -1.181 1.706 39 3HD1 ILE 4 3HD1 ILE 4 -15.480 -0.622 0.473 40 H GLY 5 H GLY 5 -10.131 -1.516 2.901 41 1HA GLY 5 1HA GLY 5 -9.949 -2.161 5.757 42 2HA GLY 5 2HA GLY 5 -9.293 -3.313 4.604 43 H THR 6 H THR 6 -7.215 -3.048 5.520 44 HA THR 6 HA THR 6 -5.556 -1.226 4.200 45 HB THR 6 HB THR 6 -4.859 -0.078 6.517 46 HG1 THR 6 1HG THR 6 -6.662 -1.097 7.608 47 1HG2 THR 6 1HG2 THR 6 -5.296 1.708 5.261 48 2HG2 THR 6 2HG2 THR 6 -7.026 1.490 5.530 49 3HG2 THR 6 3HG2 THR 6 -6.239 0.699 4.165 50 H TRP 7 H TRP 7 -3.365 -1.611 4.586 51 HA TRP 7 HA TRP 7 -2.793 -3.783 6.495 52 1HB TRP 7 1HB TRP 7 -0.981 -4.460 4.844 53 2HB TRP 7 2HB TRP 7 -2.641 -4.766 4.342 54 HD1 TRP 7 1HD TRP 7 -3.689 -2.825 2.601 55 HE1 TRP 7 1HE TRP 7 -2.491 -1.619 0.667 56 HE3 TRP 7 3HE TRP 7 1.157 -3.622 4.023 57 HZ2 TRP 7 2HZ TRP 7 0.156 -1.079 -0.147 58 HZ3 TRP 7 3HZ TRP 7 2.962 -2.728 2.611 59 HH2 TRP 7 2HH TRP 7 2.470 -1.484 0.569 60 H ASP 8 H ASP 8 -1.084 -3.530 7.826 61 HA ASP 8 HA ASP 8 0.324 -0.970 7.703 62 1HB ASP 8 1HB ASP 8 0.426 -3.002 9.933 63 2HB ASP 8 2HB ASP 8 0.873 -1.301 10.004 64 H CYS 9 H CYS 9 2.532 -0.781 7.584 65 HA CYS 9 HA CYS 9 3.938 -2.834 6.234 66 1HB CYS 9 1HB CYS 9 4.302 -0.246 6.235 67 2HB CYS 9 2HB CYS 9 5.332 -0.572 7.626 68 H ASP 10 H ASP 10 6.191 -3.513 7.034 69 HA ASP 10 HA ASP 10 6.087 -4.192 9.897 70 1HB ASP 10 1HB ASP 10 5.410 -6.110 8.392 71 2HB ASP 10 2HB ASP 10 7.051 -6.086 7.751 72 H THR 11 H THR 11 7.698 -2.548 7.619 73 HA THR 11 HA THR 11 10.321 -3.038 8.876 74 HB THR 11 HB THR 11 9.643 -2.369 6.023 75 HG1 THR 11 1HG THR 11 11.637 -4.163 6.848 76 1HG2 THR 11 1HG2 THR 11 12.332 -2.038 7.362 77 2HG2 THR 11 2HG2 THR 11 11.323 -0.740 6.725 78 3HG2 THR 11 3HG3 THR 11 12.026 -1.928 5.629 79 H CYS 12 H CYS 12 8.398 -0.552 7.195 80 HA CYS 12 HA CYS 12 9.873 1.521 8.650 81 1HB CYS 12 1HB CYS 12 9.344 2.991 6.961 82 2HB CYS 12 2HB CYS 12 9.346 1.479 6.057 83 H LEU 13 H LEU 13 7.042 -0.242 8.875 84 HA LEU 13 HA LEU 13 5.174 -0.079 10.160 85 1HB LEU 13 1HB LEU 13 7.090 1.760 11.496 86 2HB LEU 13 2HB LEU 13 5.403 1.808 12.003 87 HG LEU 13 HG LEU 13 5.755 -0.798 12.234 88 1HD1 LEU 13 1HD1 LEU 13 8.441 -0.160 13.189 89 2HD1 LEU 13 2HD1 LEU 13 8.275 -0.113 11.434 90 3HD1 LEU 13 3HD1 LEU 13 7.847 -1.576 12.322 91 1HD2 LEU 13 1HD2 LEU 13 6.147 -0.481 14.562 92 2HD2 LEU 13 2HD2 LEU 13 5.175 0.879 14.002 93 3HD2 LEU 13 3HD2 LEU 13 6.904 1.087 14.283 94 H VAL 14 H VAL 14 4.017 0.671 8.287 95 HA VAL 14 HA VAL 14 2.771 3.238 8.755 96 HB VAL 14 HB VAL 14 4.273 2.700 6.192 97 1HG1 VAL 14 1HG1 VAL 14 3.331 5.128 5.761 98 2HG1 VAL 14 2HG1 VAL 14 2.402 3.691 5.330 99 3HG1 VAL 14 3HG1 VAL 14 2.041 4.562 6.821 100 1HG2 VAL 14 1HG2 VAL 14 4.501 4.928 8.213 101 2HG2 VAL 14 2HG2 VAL 14 5.635 3.591 8.019 102 3HG2 VAL 14 3HG2 VAL 14 5.440 4.777 6.729 103 H GLN 15 H GLN 15 0.678 3.243 8.138 104 HA GLN 15 HA GLN 15 -0.410 0.781 7.077 105 1HB GLN 15 1HB GLN 15 -1.508 3.225 8.373 106 2HB GLN 15 2HB GLN 15 -2.584 2.308 7.327 107 1HG GLN 15 1HG GLN 15 -2.080 0.285 8.665 108 2HG GLN 15 2HG GLN 15 -1.131 1.292 9.757 109 1HE2 GLN 15 2HE2 GLN 15 -2.282 3.100 10.783 110 2HE2 GLN 15 1HE2 GLN 15 -3.939 2.877 11.218 111 H ASN 16 H ASN 16 -1.570 0.551 5.173 112 HA ASN 16 HA ASN 16 -1.686 2.820 3.338 113 1HB ASN 16 1HB ASN 16 -0.670 0.247 2.215 114 2HB ASN 16 2HB ASN 16 -0.393 1.898 1.666 115 1HD2 ASN 16 2HD2 ASN 16 0.264 -0.178 4.467 116 2HD2 ASN 16 1HD2 ASN 16 1.874 0.396 4.728 117 H LYS 17 H LYS 17 -3.213 2.588 1.661 118 HA LYS 17 HA LYS 17 -5.514 1.097 2.348 119 1HB LYS 17 1HB LYS 17 -6.544 2.092 0.497 120 2HB LYS 17 2HB LYS 17 -5.337 3.274 0.983 121 1HG LYS 17 1HG LYS 17 -3.898 2.670 -0.801 122 2HG LYS 17 2HG LYS 17 -4.871 1.248 -1.188 123 1HD LYS 17 1HD LYS 17 -6.684 2.615 -1.949 124 2HD LYS 17 2HD LYS 17 -5.890 4.080 -1.366 125 1HE LYS 17 1HE LYS 17 -4.607 2.310 -3.421 126 2HE LYS 17 2HE LYS 17 -5.771 3.552 -3.877 127 1HZ LYS 17 1HZ LYS 17 -3.097 3.918 -3.542 128 2HZ LYS 17 2HZ LYS 17 -3.744 4.530 -2.104 129 3HZ LYS 17 3HZ LYS 17 -4.262 5.144 -3.593 130 HA PRO 18 HA PRO 18 -4.757 -2.808 0.474 131 1HB PRO 18 1HB PRO 18 -7.311 -3.585 -0.020 132 2HB PRO 18 2HB PRO 18 -6.615 -3.551 1.605 133 1HG PRO 18 1HG PRO 18 -8.392 -1.550 0.263 134 2HG PRO 18 2HG PRO 18 -8.456 -2.168 1.924 135 1HD PRO 18 1HD PRO 18 -7.374 0.235 1.305 136 2HD PRO 18 2HD PRO 18 -6.777 -0.764 2.646 137 H GLU 19 H GLU 19 -6.137 -0.194 -1.196 138 HA GLU 19 HA GLU 19 -6.462 -1.614 -3.708 139 1HB GLU 19 1HB GLU 19 -6.543 1.363 -3.538 140 2HB GLU 19 2HB GLU 19 -7.516 0.271 -4.511 141 1HG GLU 19 1HG GLU 19 -8.706 -0.430 -2.461 142 2HG GLU 19 2HG GLU 19 -7.786 0.772 -1.557 143 H ALA 20 H ALA 20 -3.920 -0.308 -2.017 144 HA ALA 20 HA ALA 20 -2.458 0.705 -4.312 145 1HB ALA 20 1HB ALA 20 -2.201 1.873 -2.213 146 2HB ALA 20 2HB ALA 20 -1.647 0.395 -1.425 147 3HB ALA 20 3HB ALA 20 -0.662 1.147 -2.680 148 H ILE 21 H ILE 21 -0.104 -0.071 -4.498 149 HA ILE 21 HA ILE 21 -0.109 -3.017 -4.451 150 HB ILE 21 HB ILE 21 0.010 -2.465 -6.705 151 1HG1 ILE 21 1HG1 ILE 21 2.306 -2.962 -7.421 152 2HG1 ILE 21 2HG1 ILE 21 2.899 -2.578 -5.809 153 1HG2 ILE 21 1HG2 ILE 21 1.806 -0.671 -7.412 154 2HG2 ILE 21 2HG2 ILE 21 0.191 -0.193 -6.889 155 3HG2 ILE 21 3HG2 ILE 21 1.546 -0.099 -5.764 156 1HD1 ILE 21 1HD1 ILE 21 2.775 -4.800 -5.535 157 2HD1 ILE 21 2HD1 ILE 21 1.073 -4.465 -5.216 158 3HD1 ILE 21 3HD1 ILE 21 1.580 -4.998 -6.818 159 H LYS 22 H LYS 22 1.387 -0.225 -3.236 160 HA LYS 22 HA LYS 22 3.373 -1.840 -1.866 161 1HB LYS 22 1HB LYS 22 5.206 -0.238 -2.457 162 2HB LYS 22 2HB LYS 22 4.645 -1.225 -3.801 163 1HG LYS 22 1HG LYS 22 3.226 0.693 -4.525 164 2HG LYS 22 2HG LYS 22 3.998 1.665 -3.269 165 1HD LYS 22 1HD LYS 22 5.216 2.149 -5.210 166 2HD LYS 22 2HD LYS 22 6.213 0.971 -4.351 167 1HE LYS 22 1HE LYS 22 6.265 0.070 -6.449 168 2HE LYS 22 2HE LYS 22 4.834 -0.739 -5.813 169 1HZ LYS 22 1HZ LYS 22 4.643 1.806 -7.306 170 2HZ LYS 22 2HZ LYS 22 3.425 0.672 -6.999 171 3HZ LYS 22 3HZ LYS 22 4.658 0.312 -8.100 172 H CYS 23 H CYS 23 4.778 -0.162 -0.469 173 HA CYS 23 HA CYS 23 2.895 1.063 1.293 174 1HB CYS 23 1HB CYS 23 5.266 -0.024 1.750 175 2HB CYS 23 2HB CYS 23 5.822 1.627 1.496 176 H VAL 24 H VAL 24 2.961 3.303 1.994 177 HA VAL 24 HA VAL 24 3.535 5.112 -0.256 178 HB VAL 24 HB VAL 24 1.151 4.873 0.686 179 1HG1 VAL 24 1HG1 VAL 24 2.160 5.151 3.081 180 2HG1 VAL 24 2HG1 VAL 24 2.013 6.873 2.726 181 3HG1 VAL 24 3HG1 VAL 24 0.583 5.840 2.695 182 1HG2 VAL 24 1HG2 VAL 24 2.579 7.035 -0.416 183 2HG2 VAL 24 2HG2 VAL 24 0.841 6.743 -0.474 184 3HG2 VAL 24 2HG3 VAL 24 1.529 7.706 0.833 185 H ALA 25 H ALA 25 5.305 4.141 2.044 186 HA ALA 25 HA ALA 25 6.280 6.811 2.776 187 1HB ALA 25 1HB ALA 25 5.499 4.617 4.618 188 2HB ALA 25 2HB ALA 25 6.918 5.580 5.031 189 3HB ALA 25 3HB ALA 25 5.353 6.364 4.810 190 H CYS 26 H CYS 26 6.944 3.353 2.502 191 HA CYS 26 HA CYS 26 9.795 4.001 2.129 192 1HB CYS 26 1HB CYS 26 10.396 1.911 3.070 193 2HB CYS 26 2HB CYS 26 9.170 2.577 4.144 194 H GLU 27 H GLU 27 6.987 2.869 0.655 195 HA GLU 27 HA GLU 27 6.569 2.159 -1.472 196 1HB GLU 27 1HB GLU 27 9.521 2.153 -2.040 197 2HB GLU 27 2HB GLU 27 8.191 2.402 -3.162 198 1HG GLU 27 1HG GLU 27 7.946 4.592 -2.611 199 2HG GLU 27 2HG GLU 27 8.511 4.355 -0.957 200 H THR 28 H THR 28 6.939 0.335 0.673 201 HA THR 28 HA THR 28 8.513 -1.894 -0.181 202 HB THR 28 HB THR 28 6.829 -1.246 2.113 203 HG1 THR 28 1HG THR 28 8.782 -3.268 2.068 204 1HG2 THR 28 1HG2 THR 28 6.423 -3.671 2.670 205 2HG2 THR 28 2HG2 THR 28 6.772 -4.040 0.981 206 3HG2 THR 28 3HG2 THR 28 5.400 -3.011 1.394 207 HA PRO 29 HA PRO 29 5.717 -3.818 -2.983 208 1HB PRO 29 1HB PRO 29 6.558 -6.389 -2.754 209 2HB PRO 29 2HB PRO 29 7.485 -5.147 -3.604 210 1HG PRO 29 1HG PRO 29 7.836 -6.204 -0.826 211 2HG PRO 29 2HG PRO 29 9.068 -5.842 -2.049 212 1HD PRO 29 1HD PRO 29 8.508 -4.160 -0.002 213 2HD PRO 29 2HD PRO 29 9.033 -3.582 -1.597 214 H LYS 30 H LYS 30 3.641 -3.818 -2.298 215 HA LYS 30 HA LYS 30 2.527 -4.688 0.018 216 1HB LYS 30 1HB LYS 30 1.174 -3.555 -1.599 217 2HB LYS 30 2HB LYS 30 1.406 -4.838 -2.780 218 1HG LYS 30 1HG LYS 30 0.247 -6.325 -0.983 219 2HG LYS 30 2HG LYS 30 -0.340 -4.779 -0.363 220 1HD LYS 30 1HD LYS 30 -0.774 -4.609 -3.092 221 2HD LYS 30 2HD LYS 30 -1.175 -6.284 -2.704 222 1HE LYS 30 1HE LYS 30 -2.811 -5.631 -1.135 223 2HE LYS 30 2HE LYS 30 -2.232 -3.966 -1.108 224 1HZ LYS 30 1HZ LYS 30 -3.603 -3.466 -2.755 225 2HZ LYS 30 2HZ LYS 30 -4.243 -5.029 -2.691 226 3HZ LYS 30 3HZ LYS 30 -2.960 -4.684 -3.738 227 HA PRO 31 HA PRO 31 3.053 -9.053 0.253 228 1HB PRO 31 1HB PRO 31 1.032 -9.632 1.970 229 2HB PRO 31 2HB PRO 31 2.529 -8.843 2.480 230 1HG PRO 31 1HG PRO 31 -0.140 -7.630 1.872 231 2HG PRO 31 2HG PRO 31 0.975 -7.272 3.205 232 1HD PRO 31 1HD PRO 31 0.794 -5.715 0.997 233 2HD PRO 31 2HD PRO 31 2.313 -5.931 1.890 Start of MODEL 20 1 1H GLY 0 1H GLY 0 -23.286 6.727 4.428 2 1HA GLY 0 1HA GLY 0 -24.404 4.215 4.862 3 2HA GLY 0 2HA GLY 0 -23.268 4.039 3.533 4 H HIS 1 H HIS 1 -21.147 3.832 3.973 5 HA HIS 1 HA HIS 1 -19.902 4.850 6.312 6 1HB HIS 1 1HB HIS 1 -21.294 2.726 7.024 7 2HB HIS 1 2HB HIS 1 -19.930 1.859 6.326 8 HD1 HIS 1 HD1 HIS 1 -20.865 4.071 9.195 9 HD2 HIS 1 HD2 HIS 1 -17.555 1.987 7.794 10 HE1 HIS 1 HE1 HIS 1 -19.205 4.097 11.083 11 H MET 2 H MET 2 -17.642 4.561 6.302 12 HA MET 2 HA MET 2 -16.573 3.966 3.678 13 1HB MET 2 1HB MET 2 -15.915 5.936 5.222 14 2HB MET 2 2HB MET 2 -14.937 4.751 6.075 15 1HG MET 2 1HG MET 2 -13.682 4.288 4.061 16 2HG MET 2 2HG MET 2 -14.706 5.390 3.144 17 1HE MET 2 1HE MET 2 -11.187 7.083 3.328 18 2HE MET 2 2HE MET 2 -11.111 5.475 4.048 19 3HE MET 2 3HE MET 2 -12.068 5.745 2.591 20 H VAL 3 H VAL 3 -14.629 2.628 3.421 21 HA VAL 3 HA VAL 3 -14.890 0.166 4.975 22 HB VAL 3 HB VAL 3 -14.802 0.341 2.363 23 1HG1 VAL 3 1HG1 VAL 3 -12.711 0.349 1.344 24 2HG1 VAL 3 2HG1 VAL 3 -12.561 1.599 2.582 25 3HG1 VAL 3 3HG1 VAL 3 -11.866 0.000 2.852 26 1HG2 VAL 3 1HG2 VAL 3 -12.994 -1.779 3.391 27 2HG2 VAL 3 2HG2 VAL 3 -14.625 -1.693 4.060 28 3HG2 VAL 3 3HG2 VAL 3 -14.394 -1.903 2.324 29 H ILE 4 H ILE 4 -13.124 -0.871 5.943 30 HA ILE 4 HA ILE 4 -10.655 0.695 6.201 31 HB ILE 4 HB ILE 4 -12.092 -0.560 8.543 32 1HG1 ILE 4 1HG1 ILE 4 -13.159 1.525 7.600 33 2HG1 ILE 4 2HG1 ILE 4 -12.635 1.651 9.276 34 1HG2 ILE 4 1HG2 ILE 4 -10.374 0.479 9.901 35 2HG2 ILE 4 2HG2 ILE 4 -9.640 -0.586 8.705 36 3HG2 ILE 4 3HG2 ILE 4 -9.617 1.160 8.462 37 1HD1 ILE 4 1HD1 ILE 4 -12.153 3.562 7.559 38 2HD1 ILE 4 2HD1 ILE 4 -10.960 3.123 8.782 39 3HD1 ILE 4 3HD1 ILE 4 -10.783 2.538 7.127 40 H GLY 5 H GLY 5 -9.345 -0.679 5.101 41 1HA GLY 5 1HA GLY 5 -8.940 -3.324 6.315 42 2HA GLY 5 2HA GLY 5 -9.203 -3.221 4.580 43 H THR 6 H THR 6 -7.599 -0.482 5.509 44 HA THR 6 HA THR 6 -5.340 -0.777 4.072 45 HB THR 6 HB THR 6 -4.208 0.822 5.568 46 HG1 THR 6 1HG THR 6 -5.406 1.503 7.457 47 1HG2 THR 6 1HG2 THR 6 -5.424 2.363 4.515 48 2HG2 THR 6 2HG2 THR 6 -6.700 2.175 5.718 49 3HG2 THR 6 3HG2 THR 6 -6.711 1.185 4.259 50 H TRP 7 H TRP 7 -3.229 -1.505 4.374 51 HA TRP 7 HA TRP 7 -2.942 -3.540 6.477 52 1HB TRP 7 1HB TRP 7 -1.028 -4.329 4.923 53 2HB TRP 7 2HB TRP 7 -2.690 -4.635 4.428 54 HD1 TRP 7 1HD TRP 7 -3.699 -2.776 2.583 55 HE1 TRP 7 1HE TRP 7 -2.474 -1.677 0.604 56 HE3 TRP 7 3HE TRP 7 1.126 -3.548 4.085 57 HZ2 TRP 7 2HZ TRP 7 0.185 -1.203 -0.214 58 HZ3 TRP 7 3HZ TRP 7 2.952 -2.742 2.646 59 HH2 TRP 7 2HH TRP 7 2.490 -1.594 0.542 60 H ASP 8 H ASP 8 -1.125 -3.606 7.771 61 HA ASP 8 HA ASP 8 0.341 -1.094 7.960 62 1HB ASP 8 1HB ASP 8 0.529 -3.450 9.836 63 2HB ASP 8 2HB ASP 8 0.964 -1.774 10.157 64 H CYS 9 H CYS 9 2.573 -0.924 7.888 65 HA CYS 9 HA CYS 9 3.894 -2.838 6.204 66 1HB CYS 9 1HB CYS 9 4.213 -0.295 6.195 67 2HB CYS 9 2HB CYS 9 5.217 -0.529 7.622 68 H ASP 10 H ASP 10 6.094 -3.667 6.760 69 HA ASP 10 HA ASP 10 6.192 -4.499 9.586 70 1HB ASP 10 1HB ASP 10 5.637 -6.377 8.133 71 2HB ASP 10 2HB ASP 10 7.046 -6.044 7.129 72 H THR 11 H THR 11 7.658 -2.587 7.364 73 HA THR 11 HA THR 11 10.318 -2.951 8.581 74 HB THR 11 HB THR 11 9.505 -2.365 5.787 75 HG1 THR 11 1HG THR 11 11.277 -3.701 5.400 76 1HG2 THR 11 1HG2 THR 11 11.742 -0.972 7.208 77 2HG2 THR 11 2HG2 THR 11 10.606 -0.337 6.018 78 3HG2 THR 11 3HG3 THR 11 11.911 -1.406 5.508 79 H CYS 12 H CYS 12 8.381 -0.428 6.960 80 HA CYS 12 HA CYS 12 9.623 1.580 8.684 81 1HB CYS 12 1HB CYS 12 9.118 3.151 7.082 82 2HB CYS 12 2HB CYS 12 9.247 1.718 6.069 83 H LEU 13 H LEU 13 7.188 -0.436 9.075 84 HA LEU 13 HA LEU 13 5.120 -0.414 10.072 85 1HB LEU 13 1HB LEU 13 6.651 1.595 11.715 86 2HB LEU 13 2HB LEU 13 5.120 0.872 12.204 87 HG LEU 13 HG LEU 13 7.568 -0.039 12.937 88 1HD1 LEU 13 1HD1 LEU 13 4.836 -0.943 13.015 89 2HD1 LEU 13 2HD1 LEU 13 6.115 -1.126 14.215 90 3HD1 LEU 13 3HD1 LEU 13 5.946 -2.309 12.918 91 1HD2 LEU 13 1HD2 LEU 13 6.700 -1.646 10.538 92 2HD2 LEU 13 2HD2 LEU 13 7.893 -2.179 11.722 93 3HD2 LEU 13 3HD2 LEU 13 8.209 -0.753 10.734 94 H VAL 14 H VAL 14 3.799 0.433 8.455 95 HA VAL 14 HA VAL 14 2.567 2.945 9.102 96 HB VAL 14 HB VAL 14 4.676 3.139 7.340 97 1HG1 VAL 14 1HG1 VAL 14 2.166 3.269 5.685 98 2HG1 VAL 14 2HG1 VAL 14 3.835 3.448 5.142 99 3HG1 VAL 14 3HG1 VAL 14 3.249 1.879 5.693 100 1HG2 VAL 14 1HG2 VAL 14 2.505 4.783 8.317 101 2HG2 VAL 14 2HG2 VAL 14 4.184 5.214 7.990 102 3HG2 VAL 14 3HG2 VAL 14 2.995 5.252 6.689 103 H GLN 15 H GLN 15 0.493 3.077 8.344 104 HA GLN 15 HA GLN 15 -0.570 0.665 7.125 105 1HB GLN 15 1HB GLN 15 -1.743 3.028 8.533 106 2HB GLN 15 2HB GLN 15 -2.773 2.061 7.485 107 1HG GLN 15 1HG GLN 15 -2.198 0.062 8.788 108 2HG GLN 15 2HG GLN 15 -1.213 1.060 9.856 109 1HE2 GLN 15 2HE2 GLN 15 -2.609 3.169 10.460 110 2HE2 GLN 15 1HE2 GLN 15 -4.134 2.779 11.169 111 H ASN 16 H ASN 16 -1.613 0.550 5.167 112 HA ASN 16 HA ASN 16 -1.758 2.970 3.528 113 1HB ASN 16 1HB ASN 16 -0.714 0.497 2.220 114 2HB ASN 16 2HB ASN 16 -0.437 2.187 1.808 115 1HD2 ASN 16 2HD2 ASN 16 0.090 0.104 4.637 116 2HD2 ASN 16 1HD2 ASN 16 1.732 0.580 4.891 117 H LYS 17 H LYS 17 -3.144 2.750 1.658 118 HA LYS 17 HA LYS 17 -5.536 1.370 2.227 119 1HB LYS 17 1HB LYS 17 -6.384 2.290 0.230 120 2HB LYS 17 2HB LYS 17 -5.231 3.479 0.823 121 1HG LYS 17 1HG LYS 17 -3.660 2.951 -0.817 122 2HG LYS 17 2HG LYS 17 -4.434 1.409 -1.192 123 1HD LYS 17 1HD LYS 17 -5.023 2.802 -2.979 124 2HD LYS 17 2HD LYS 17 -6.445 2.812 -1.933 125 1HE LYS 17 1HE LYS 17 -5.662 5.054 -2.858 126 2HE LYS 17 2HE LYS 17 -5.971 4.962 -1.124 127 1HZ LYS 17 1HZ LYS 17 -3.255 4.475 -2.139 128 2HZ LYS 17 2HZ LYS 17 -3.745 5.064 -0.632 129 3HZ LYS 17 3HZ LYS 17 -3.813 6.066 -1.992 130 HA PRO 18 HA PRO 18 -4.745 -2.642 0.594 131 1HB PRO 18 1HB PRO 18 -7.303 -3.423 0.128 132 2HB PRO 18 2HB PRO 18 -6.612 -3.316 1.751 133 1HG PRO 18 1HG PRO 18 -8.369 -1.369 0.309 134 2HG PRO 18 2HG PRO 18 -8.445 -1.905 1.997 135 1HD PRO 18 1HD PRO 18 -7.341 0.457 1.267 136 2HD PRO 18 2HD PRO 18 -6.756 -0.481 2.656 137 H GLU 19 H GLU 19 -6.127 -0.107 -1.204 138 HA GLU 19 HA GLU 19 -6.436 -1.645 -3.647 139 1HB GLU 19 1HB GLU 19 -6.516 1.331 -3.656 140 2HB GLU 19 2HB GLU 19 -7.519 0.178 -4.527 141 1HG GLU 19 1HG GLU 19 -8.396 -0.384 -2.116 142 2HG GLU 19 2HG GLU 19 -7.807 1.240 -1.767 143 H ALA 20 H ALA 20 -3.903 -0.251 -2.012 144 HA ALA 20 HA ALA 20 -2.434 0.669 -4.336 145 1HB ALA 20 1HB ALA 20 -1.657 0.456 -1.433 146 2HB ALA 20 2HB ALA 20 -0.624 1.118 -2.700 147 3HB ALA 20 3HB ALA 20 -2.147 1.911 -2.299 148 H ILE 21 H ILE 21 -0.137 -0.133 -4.602 149 HA ILE 21 HA ILE 21 -0.155 -3.072 -4.485 150 HB ILE 21 HB ILE 21 1.409 -1.233 -6.301 151 1HG1 ILE 21 1HG1 ILE 21 -0.860 -3.139 -6.914 152 2HG1 ILE 21 2HG1 ILE 21 -1.017 -1.390 -6.797 153 1HG2 ILE 21 1HG2 ILE 21 2.830 -2.987 -6.303 154 2HG2 ILE 21 2HG2 ILE 21 1.609 -4.116 -5.717 155 3HG2 ILE 21 3HG2 ILE 21 1.647 -3.665 -7.422 156 1HD1 ILE 21 1HD1 ILE 21 0.112 -3.056 -8.948 157 2HD1 ILE 21 2HD1 ILE 21 -0.785 -1.540 -9.031 158 3HD1 ILE 21 3HD1 ILE 21 0.930 -1.529 -8.619 159 H LYS 22 H LYS 22 1.530 -0.236 -3.458 160 HA LYS 22 HA LYS 22 3.372 -1.908 -1.924 161 1HB LYS 22 1HB LYS 22 5.262 -0.369 -2.502 162 2HB LYS 22 2HB LYS 22 4.704 -1.366 -3.839 163 1HG LYS 22 1HG LYS 22 3.315 0.612 -4.569 164 2HG LYS 22 2HG LYS 22 4.209 1.561 -3.380 165 1HD LYS 22 1HD LYS 22 6.238 1.282 -4.515 166 2HD LYS 22 2HD LYS 22 5.627 -0.083 -5.454 167 1HE LYS 22 1HE LYS 22 4.478 2.681 -5.721 168 2HE LYS 22 2HE LYS 22 5.881 2.160 -6.653 169 1HZ LYS 22 1HZ LYS 22 3.091 1.402 -6.921 170 2HZ LYS 22 2HZ LYS 22 4.207 0.145 -7.109 171 3HZ LYS 22 3HZ LYS 22 4.303 1.514 -8.098 172 H CYS 23 H CYS 23 4.775 -0.282 -0.495 173 HA CYS 23 HA CYS 23 2.888 1.053 1.178 174 1HB CYS 23 1HB CYS 23 5.197 -0.128 1.729 175 2HB CYS 23 2HB CYS 23 5.825 1.498 1.483 176 H VAL 24 H VAL 24 2.784 3.264 1.702 177 HA VAL 24 HA VAL 24 3.651 5.023 -0.483 178 HB VAL 24 HB VAL 24 1.225 4.957 0.039 179 1HG1 VAL 24 1HG1 VAL 24 0.810 4.706 2.245 180 2HG1 VAL 24 2HG1 VAL 24 2.252 5.601 2.730 181 3HG1 VAL 24 3HG1 VAL 24 0.802 6.470 2.221 182 1HG2 VAL 24 1HG2 VAL 24 1.028 7.096 -0.601 183 2HG2 VAL 24 2HG2 VAL 24 1.869 7.699 0.828 184 3HG2 VAL 24 2HG3 VAL 24 2.792 7.117 -0.558 185 H ALA 25 H ALA 25 5.112 4.062 2.076 186 HA ALA 25 HA ALA 25 6.024 6.745 2.878 187 1HB ALA 25 1HB ALA 25 6.034 6.233 5.109 188 2HB ALA 25 2HB ALA 25 4.636 5.296 4.580 189 3HB ALA 25 3HB ALA 25 6.190 4.500 4.824 190 H CYS 26 H CYS 26 6.840 3.335 2.459 191 HA CYS 26 HA CYS 26 9.676 4.114 2.250 192 1HB CYS 26 1HB CYS 26 10.323 1.992 3.122 193 2HB CYS 26 2HB CYS 26 9.078 2.619 4.198 194 H GLU 27 H GLU 27 6.974 2.784 0.679 195 HA GLU 27 HA GLU 27 6.675 2.153 -1.497 196 1HB GLU 27 1HB GLU 27 9.623 2.251 -2.022 197 2HB GLU 27 2HB GLU 27 8.289 2.601 -3.113 198 1HG GLU 27 1HG GLU 27 7.854 4.577 -1.452 199 2HG GLU 27 2HG GLU 27 9.550 4.327 -1.045 200 H THR 28 H THR 28 6.808 0.245 0.451 201 HA THR 28 HA THR 28 8.565 -1.885 -0.469 202 HB THR 28 HB THR 28 7.045 -1.340 1.976 203 HG1 THR 28 1HG THR 28 9.059 -3.244 1.911 204 1HG2 THR 28 1HG2 THR 28 7.014 -4.078 0.736 205 2HG2 THR 28 2HG2 THR 28 5.682 -3.180 1.464 206 3HG2 THR 28 3HG2 THR 28 6.953 -3.854 2.484 207 HA PRO 29 HA PRO 29 5.561 -3.822 -3.042 208 1HB PRO 29 1HB PRO 29 6.522 -6.359 -2.996 209 2HB PRO 29 2HB PRO 29 7.303 -5.053 -3.894 210 1HG PRO 29 1HG PRO 29 7.992 -6.179 -1.208 211 2HG PRO 29 2HG PRO 29 9.070 -5.726 -2.540 212 1HD PRO 29 1HD PRO 29 8.668 -4.134 -0.388 213 2HD PRO 29 2HD PRO 29 8.995 -3.485 -2.008 214 H LYS 30 H LYS 30 3.542 -4.126 -2.340 215 HA LYS 30 HA LYS 30 2.791 -5.161 0.140 216 1HB LYS 30 1HB LYS 30 1.246 -3.812 -1.096 217 2HB LYS 30 2HB LYS 30 1.266 -4.929 -2.455 218 1HG LYS 30 1HG LYS 30 0.386 -6.613 -0.617 219 2HG LYS 30 2HG LYS 30 -0.162 -5.113 0.137 220 1HD LYS 30 1HD LYS 30 -0.716 -5.413 -2.751 221 2HD LYS 30 2HD LYS 30 -1.610 -6.480 -1.667 222 1HE LYS 30 1HE LYS 30 -2.340 -4.512 -0.377 223 2HE LYS 30 2HE LYS 30 -1.489 -3.469 -1.516 224 1HZ LYS 30 1HZ LYS 30 -3.518 -3.414 -2.469 225 2HZ LYS 30 2HZ LYS 30 -4.000 -4.905 -1.832 226 3HZ LYS 30 3HZ LYS 30 -2.996 -4.852 -3.192 227 HA PRO 31 HA PRO 31 3.254 -9.517 -0.306 228 1HB PRO 31 1HB PRO 31 1.493 -10.328 1.596 229 2HB PRO 31 2HB PRO 31 3.066 -9.618 1.982 230 1HG PRO 31 1HG PRO 31 0.363 -8.330 1.949 231 2HG PRO 31 2HG PRO 31 1.669 -8.161 3.137 232 1HD PRO 31 1HD PRO 31 1.200 -6.312 1.214 233 2HD PRO 31 2HD PRO 31 2.828 -6.652 1.835
Contact the webmaster for help, if required. Wednesday, May 29, 2024 12:47:51 AM GMT (wattos1)