NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15122 | 1xkm | 6499 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLU 1 1H GLU 1 3.479 15.948 8.975 2 2H GLU 1 2H GLU 1 2.699 15.390 10.315 3 3H GLU 1 3H GLU 1 2.537 16.967 9.867 4 HA GLU 1 HA GLU 1 1.420 16.361 7.878 5 1HB GLU 1 1HB GLU 1 2.507 14.295 7.396 6 2HB GLU 1 2HB GLU 1 1.951 13.560 8.899 7 1HG GLU 1 1HG GLU 1 0.668 12.727 6.969 8 2HG GLU 1 2HG GLU 1 -0.370 13.557 8.112 9 H ASN 2 H ASN 2 -0.624 16.981 8.104 10 HA ASN 2 HA ASN 2 -1.978 17.068 10.603 11 1HB ASN 2 1HB ASN 2 -2.314 18.691 8.801 12 2HB ASN 2 2HB ASN 2 -3.006 17.437 7.760 13 1HD2 ASN 2 1HD2 ASN 2 -5.235 17.574 7.676 14 2HD2 ASN 2 2HD2 ASN 2 -6.222 18.082 9.040 15 H ARG 3 H ARG 3 -2.540 14.946 7.743 16 HA ARG 3 HA ARG 3 -4.326 13.218 9.436 17 1HB ARG 3 1HB ARG 3 -5.241 14.715 7.481 18 2HB ARG 3 2HB ARG 3 -4.649 13.425 6.444 19 1HG ARG 3 1HG ARG 3 -6.596 13.137 8.796 20 2HG ARG 3 2HG ARG 3 -7.052 13.296 7.105 21 1HD ARG 3 1HD ARG 3 -7.260 10.993 7.540 22 2HD ARG 3 2HD ARG 3 -5.774 11.173 6.608 23 HE ARG 3 HE ARG 3 -4.605 10.282 8.353 24 1HH1 ARG 3 1HH1 ARG 3 -7.638 11.461 9.741 25 2HH1 ARG 3 2HH1 ARG 3 -7.314 10.783 11.323 26 1HH2 ARG 3 1HH2 ARG 3 -4.243 9.336 10.338 27 2HH2 ARG 3 2HH2 ARG 3 -5.458 9.454 11.592 28 H GLU 4 H GLU 4 -2.080 12.387 9.976 29 HA GLU 4 HA GLU 4 -0.747 10.846 7.912 30 1HB GLU 4 1HB GLU 4 0.259 12.097 9.961 31 2HB GLU 4 2HB GLU 4 -0.175 10.642 10.869 32 1HG GLU 4 1HG GLU 4 1.163 9.286 9.187 33 2HG GLU 4 2HG GLU 4 1.619 10.795 8.385 34 H VAL 5 H VAL 5 -0.992 8.740 7.421 35 HA VAL 5 HA VAL 5 -1.554 6.554 7.462 36 HB VAL 5 HB VAL 5 -2.172 6.696 10.424 37 1HG1 VAL 5 1HG1 VAL 5 -2.978 4.690 9.212 38 2HG1 VAL 5 2HG1 VAL 5 -1.350 4.428 8.552 39 3HG1 VAL 5 3HG1 VAL 5 -1.634 4.294 10.297 40 1HG2 VAL 5 1HG2 VAL 5 0.147 5.831 10.716 41 2HG2 VAL 5 2HG2 VAL 5 0.481 6.199 9.010 42 3HG2 VAL 5 3HG2 VAL 5 0.110 7.501 10.164 43 HA PRO 6 HA PRO 6 -5.779 8.127 7.061 44 1HB PRO 6 1HB PRO 6 -6.355 7.419 4.499 45 2HB PRO 6 2HB PRO 6 -5.100 8.632 4.875 46 1HG PRO 6 1HG PRO 6 -4.692 5.672 4.332 47 2HG PRO 6 2HG PRO 6 -3.865 7.050 3.549 48 1HD PRO 6 1HD PRO 6 -2.814 5.688 5.693 49 2HD PRO 6 2HD PRO 6 -2.528 7.429 5.445 50 HA PRO 7 HA PRO 7 -8.632 4.740 7.941 51 1HB PRO 7 1HB PRO 7 -10.142 5.825 5.542 52 2HB PRO 7 2HB PRO 7 -10.804 5.233 7.095 53 1HG PRO 7 1HG PRO 7 -10.495 7.891 6.730 54 2HG PRO 7 2HG PRO 7 -9.928 7.155 8.259 55 1HD PRO 7 1HD PRO 7 -8.286 7.943 5.848 56 2HD PRO 7 2HD PRO 7 -7.947 8.185 7.589 57 H GLY 8 H GLY 8 -7.785 5.244 4.505 58 1HA GLY 8 1HA GLY 8 -8.188 2.794 3.309 59 2HA GLY 8 2HA GLY 8 -6.776 3.817 3.016 60 H PHE 9 H PHE 9 -5.512 3.587 5.595 61 HA PHE 9 HA PHE 9 -4.124 1.063 5.321 62 1HB PHE 9 1HB PHE 9 -2.981 2.969 6.255 63 2HB PHE 9 2HB PHE 9 -4.204 3.165 7.507 64 HD1 PHE 9 1HD PHE 9 -3.664 2.419 9.660 65 HD2 PHE 9 2HD PHE 9 -1.947 0.417 6.251 66 HE1 PHE 9 1HE PHE 9 -2.256 1.070 11.170 67 HE2 PHE 9 2HE PHE 9 -0.624 -1.033 7.782 68 HZ PHE 9 HZ PHE 9 -0.768 -0.702 10.239 69 H THR 10 H THR 10 -6.769 2.212 7.426 70 HA THR 10 HA THR 10 -6.825 -0.163 9.110 71 HB THR 10 HB THR 10 -8.998 1.919 8.624 72 HG1 THR 10 1HG THR 10 -6.900 2.598 9.533 73 1HG2 THR 10 1HG2 THR 10 -9.813 1.164 10.836 74 2HG2 THR 10 2HG2 THR 10 -9.912 -0.143 9.644 75 3HG2 THR 10 3HG2 THR 10 -8.601 -0.129 10.847 76 H ALA 11 H ALA 11 -8.644 0.945 6.225 77 HA ALA 11 HA ALA 11 -10.307 -1.355 5.945 78 1HB ALA 11 1HB ALA 11 -10.721 -0.542 3.718 79 2HB ALA 11 2HB ALA 11 -10.616 0.846 4.809 80 3HB ALA 11 3HB ALA 11 -9.249 0.457 3.742 81 H LEU 12 H LEU 12 -7.076 -0.649 4.525 82 HA LEU 12 HA LEU 12 -6.663 -3.097 3.180 83 1HB LEU 12 1HB LEU 12 -5.284 -1.070 3.011 84 2HB LEU 12 2HB LEU 12 -4.574 -1.387 4.589 85 HG LEU 12 HG LEU 12 -4.460 -3.437 2.326 86 1HD1 LEU 12 1HD1 LEU 12 -2.539 -1.177 2.940 87 2HD1 LEU 12 2HD1 LEU 12 -2.241 -2.486 1.767 88 3HD1 LEU 12 3HD1 LEU 12 -3.548 -1.324 1.488 89 1HD2 LEU 12 1HD2 LEU 12 -2.316 -4.075 3.501 90 2HD2 LEU 12 2HD2 LEU 12 -2.730 -2.948 4.806 91 3HD2 LEU 12 3HD2 LEU 12 -3.737 -4.376 4.487 92 H ILE 13 H ILE 13 -5.580 -2.252 6.528 93 HA ILE 13 HA ILE 13 -4.711 -4.811 7.298 94 HB ILE 13 HB ILE 13 -5.906 -2.480 8.811 95 1HG1 ILE 13 1HG1 ILE 13 -3.660 -2.168 7.797 96 2HG1 ILE 13 2HG1 ILE 13 -3.678 -2.032 9.551 97 1HG2 ILE 13 1HG2 ILE 13 -4.882 -5.047 10.058 98 2HG2 ILE 13 2HG2 ILE 13 -5.104 -3.496 10.913 99 3HG2 ILE 13 3HG2 ILE 13 -6.492 -4.317 10.221 100 1HD1 ILE 13 1HD1 ILE 13 -2.642 -4.397 7.919 101 2HD1 ILE 13 2HD1 ILE 13 -1.700 -3.227 8.843 102 3HD1 ILE 13 3HD1 ILE 13 -2.745 -4.374 9.692 103 H LYS 14 H LYS 14 -8.033 -3.492 7.670 104 HA LYS 14 HA LYS 14 -9.196 -5.766 8.856 105 1HB LYS 14 1HB LYS 14 -10.213 -3.533 8.648 106 2HB LYS 14 2HB LYS 14 -10.453 -3.786 6.911 107 1HG LYS 14 1HG LYS 14 -11.873 -5.810 7.471 108 2HG LYS 14 2HG LYS 14 -11.704 -5.403 9.184 109 1HD LYS 14 1HD LYS 14 -12.939 -3.618 7.022 110 2HD LYS 14 2HD LYS 14 -13.839 -4.610 8.179 111 1HE LYS 14 1HE LYS 14 -12.778 -3.306 10.060 112 2HE LYS 14 2HE LYS 14 -12.036 -2.235 8.854 113 1HZ LYS 14 1HZ LYS 14 -14.072 -1.344 9.676 114 2HZ LYS 14 2HZ LYS 14 -14.219 -1.693 8.073 115 3HZ LYS 14 3HZ LYS 14 -14.914 -2.676 9.197 116 H THR 15 H THR 15 -9.071 -4.939 5.349 117 HA THR 15 HA THR 15 -10.189 -7.447 4.508 118 HB THR 15 HB THR 15 -9.269 -6.874 2.251 119 HG1 THR 15 1HG THR 15 -8.465 -4.524 3.638 120 1HG2 THR 15 1HG2 THR 15 -10.924 -4.750 3.671 121 2HG2 THR 15 2HG2 THR 15 -10.864 -5.065 1.921 122 3HG2 THR 15 3HG2 THR 15 -11.541 -6.280 3.010 123 H LEU 16 H LEU 16 -6.797 -6.534 5.040 124 HA LEU 16 HA LEU 16 -5.599 -8.933 4.111 125 1HB LEU 16 1HB LEU 16 -4.561 -6.689 4.889 126 2HB LEU 16 2HB LEU 16 -4.599 -7.349 6.512 127 HG LEU 16 HG LEU 16 -3.204 -8.655 4.122 128 1HD1 LEU 16 1HD1 LEU 16 -1.124 -7.779 5.087 129 2HD1 LEU 16 2HD1 LEU 16 -2.222 -6.458 4.667 130 3HD1 LEU 16 3HD1 LEU 16 -2.043 -6.952 6.365 131 1HD2 LEU 16 1HD2 LEU 16 -3.090 -9.243 7.115 132 2HD2 LEU 16 2HD2 LEU 16 -3.618 -10.341 5.816 133 3HD2 LEU 16 3HD2 LEU 16 -1.929 -9.870 5.927 134 H ARG 17 H ARG 17 -6.614 -8.045 7.445 135 HA ARG 17 HA ARG 17 -6.159 -10.565 8.639 136 1HB ARG 17 1HB ARG 17 -6.483 -8.503 9.874 137 2HB ARG 17 2HB ARG 17 -8.174 -8.399 9.357 138 1HG ARG 17 1HG ARG 17 -8.759 -10.394 10.591 139 2HG ARG 17 2HG ARG 17 -7.061 -10.786 10.909 140 1HD ARG 17 1HD ARG 17 -8.428 -8.257 11.934 141 2HD ARG 17 2HD ARG 17 -8.332 -9.761 12.838 142 HE ARG 17 HE ARG 17 -5.944 -9.665 12.899 143 1HH1 ARG 17 1HH1 ARG 17 -7.340 -6.557 11.847 144 2HH1 ARG 17 2HH1 ARG 17 -5.963 -5.667 12.483 145 1HH2 ARG 17 1HH2 ARG 17 -4.234 -8.418 13.644 146 2HH2 ARG 17 2HH2 ARG 17 -4.270 -6.671 13.417 147 H LYS 18 H LYS 18 -9.165 -9.307 7.086 148 HA LYS 18 HA LYS 18 -10.738 -11.613 7.463 149 1HB LYS 18 1HB LYS 18 -11.583 -9.440 6.654 150 2HB LYS 18 2HB LYS 18 -10.742 -9.670 5.119 151 1HG LYS 18 1HG LYS 18 -13.125 -10.169 4.932 152 2HG LYS 18 2HG LYS 18 -12.163 -11.601 4.571 153 1HD LYS 18 1HD LYS 18 -12.679 -12.606 6.711 154 2HD LYS 18 2HD LYS 18 -13.300 -11.071 7.352 155 1HE LYS 18 1HE LYS 18 -15.159 -12.541 6.843 156 2HE LYS 18 2HE LYS 18 -15.193 -11.163 5.731 157 1HZ LYS 18 1HZ LYS 18 -14.206 -12.570 4.059 158 2HZ LYS 18 2HZ LYS 18 -14.103 -13.828 5.115 159 3HZ LYS 18 3HZ LYS 18 -15.578 -13.267 4.640 160 H CYS 19 H CYS 19 -8.777 -10.799 4.544 161 HA CYS 19 HA CYS 19 -9.021 -13.184 3.114 162 1HB CYS 19 1HB CYS 19 -7.989 -11.112 2.291 163 2HB CYS 19 2HB CYS 19 -6.608 -11.364 3.362 164 H LYS 20 H LYS 20 -6.617 -12.426 5.645 165 HA LYS 20 HA LYS 20 -5.278 -14.962 5.637 166 1HB LYS 20 1HB LYS 20 -4.355 -12.866 6.511 167 2HB LYS 20 2HB LYS 20 -5.563 -12.847 7.807 168 1HG LYS 20 1HG LYS 20 -4.654 -14.987 8.688 169 2HG LYS 20 2HG LYS 20 -3.426 -14.998 7.417 170 1HD LYS 20 1HD LYS 20 -3.784 -12.792 9.517 171 2HD LYS 20 2HD LYS 20 -2.678 -14.161 9.686 172 1HE LYS 20 1HE LYS 20 -1.515 -13.460 7.582 173 2HE LYS 20 2HE LYS 20 -2.538 -12.014 7.519 174 1HZ LYS 20 1HZ LYS 20 -1.673 -11.379 9.648 175 2HZ LYS 20 2HZ LYS 20 -0.710 -12.714 9.703 176 3HZ LYS 20 3HZ LYS 20 -0.452 -11.560 8.556 177 H ILE 21 H ILE 21 -8.174 -13.796 7.324 178 HA ILE 21 HA ILE 21 -9.783 -14.761 8.505 179 HB ILE 21 HB ILE 21 -8.602 -17.482 7.818 180 1HG1 ILE 21 1HG1 ILE 21 -10.836 -15.867 6.497 181 2HG1 ILE 21 2HG1 ILE 21 -9.226 -16.122 5.814 182 1HG2 ILE 21 1HG2 ILE 21 -10.110 -17.508 9.800 183 2HG2 ILE 21 2HG2 ILE 21 -11.362 -16.697 8.838 184 3HG2 ILE 21 3HG2 ILE 21 -10.817 -18.337 8.425 185 1HD1 ILE 21 1HD1 ILE 21 -11.338 -18.251 6.255 186 2HD1 ILE 21 2HD1 ILE 21 -10.677 -17.645 4.734 187 3HD1 ILE 21 3HD1 ILE 21 -9.643 -18.594 5.819 188 H ILE 22 H ILE 22 -6.761 -16.530 9.223 189 HA ILE 22 HA ILE 22 -7.200 -16.747 12.057 190 HB ILE 22 HB ILE 22 -4.613 -16.742 10.450 191 1HG1 ILE 22 1HG1 ILE 22 -6.344 -19.055 11.454 192 2HG1 ILE 22 2HG1 ILE 22 -6.250 -18.507 9.776 193 1HG2 ILE 22 1HG2 ILE 22 -5.154 -17.731 13.288 194 2HG2 ILE 22 2HG2 ILE 22 -3.617 -17.877 12.409 195 3HG2 ILE 22 3HG2 ILE 22 -4.204 -16.291 12.867 196 1HD1 ILE 22 1HD1 ILE 22 -4.009 -19.795 11.362 197 2HD1 ILE 22 2HD1 ILE 22 -4.862 -20.417 9.947 198 3HD1 ILE 22 3HD1 ILE 22 -3.793 -19.012 9.776 199 1H ASN 1 1H ASN 1 11.397 12.832 -6.766 200 2H ASN 1 2H ASN 1 10.237 11.746 -6.329 201 3H ASN 1 3H ASN 1 11.053 12.585 -5.174 202 HA ASN 1 HA ASN 1 10.122 14.632 -5.887 203 1HB ASN 1 1HB ASN 1 9.918 14.231 -8.237 204 2HB ASN 1 2HB ASN 1 8.807 12.886 -7.984 205 1HD2 ASN 1 1HD2 ASN 1 9.101 16.432 -8.000 206 2HD2 ASN 1 2HD2 ASN 1 7.369 16.709 -7.920 207 H LEU 2 H LEU 2 8.653 15.336 -4.481 208 HA LEU 2 HA LEU 2 7.642 13.667 -2.526 209 1HB LEU 2 1HB LEU 2 6.670 16.451 -3.284 210 2HB LEU 2 2HB LEU 2 6.412 15.674 -1.723 211 HG LEU 2 HG LEU 2 9.127 16.467 -2.880 212 1HD1 LEU 2 1HD1 LEU 2 7.712 18.385 -2.256 213 2HD1 LEU 2 2HD1 LEU 2 7.454 17.680 -0.646 214 3HD1 LEU 2 3HD1 LEU 2 9.078 18.200 -1.143 215 1HD2 LEU 2 1HD2 LEU 2 9.358 14.520 -1.355 216 2HD2 LEU 2 2HD2 LEU 2 9.985 15.991 -0.610 217 3HD2 LEU 2 3HD2 LEU 2 8.396 15.376 -0.128 218 H VAL 3 H VAL 3 5.614 15.322 -4.988 219 HA VAL 3 HA VAL 3 3.221 14.008 -4.141 220 HB VAL 3 HB VAL 3 3.126 16.140 -5.216 221 1HG1 VAL 3 1HG1 VAL 3 4.040 14.792 -7.795 222 2HG1 VAL 3 2HG1 VAL 3 3.408 16.437 -7.640 223 3HG1 VAL 3 3HG1 VAL 3 4.934 16.020 -6.862 224 1HG2 VAL 3 1HG2 VAL 3 1.182 14.591 -5.337 225 2HG2 VAL 3 2HG2 VAL 3 1.244 15.732 -6.690 226 3HG2 VAL 3 3HG2 VAL 3 1.732 14.046 -6.936 227 H SER 4 H SER 4 5.550 13.236 -6.746 228 HA SER 4 HA SER 4 4.238 10.989 -7.861 229 1HB SER 4 1HB SER 4 7.221 11.336 -7.416 230 2HB SER 4 2HB SER 4 6.441 10.200 -8.525 231 HG SER 4 HG SER 4 6.201 13.036 -8.648 232 H GLY 5 H GLY 5 6.549 11.121 -5.103 233 1HA GLY 5 1HA GLY 5 6.460 8.463 -4.205 234 2HA GLY 5 2HA GLY 5 6.666 9.891 -3.175 235 H LEU 6 H LEU 6 4.318 11.192 -3.209 236 HA LEU 6 HA LEU 6 2.687 9.676 -1.489 237 1HB LEU 6 1HB LEU 6 2.749 12.112 -1.478 238 2HB LEU 6 2HB LEU 6 2.025 12.174 -3.088 239 HG LEU 6 HG LEU 6 -0.071 11.205 -2.220 240 1HD1 LEU 6 1HD1 LEU 6 0.758 9.830 -0.344 241 2HD1 LEU 6 2HD1 LEU 6 1.333 11.291 0.492 242 3HD1 LEU 6 3HD1 LEU 6 -0.405 11.020 0.236 243 1HD2 LEU 6 1HD2 LEU 6 0.934 13.585 -0.605 244 2HD2 LEU 6 2HD2 LEU 6 0.264 13.650 -2.250 245 3HD2 LEU 6 3HD2 LEU 6 -0.765 13.154 -0.895 246 H ILE 7 H ILE 7 1.930 10.549 -4.927 247 HA ILE 7 HA ILE 7 -0.471 8.981 -4.908 248 HB ILE 7 HB ILE 7 -0.594 9.216 -7.265 249 1HG1 ILE 7 1HG1 ILE 7 2.252 10.250 -7.174 250 2HG1 ILE 7 2HG1 ILE 7 1.689 8.772 -7.960 251 1HG2 ILE 7 1HG2 ILE 7 -1.142 11.115 -5.721 252 2HG2 ILE 7 2HG2 ILE 7 0.444 11.820 -6.081 253 3HG2 ILE 7 3HG2 ILE 7 -0.759 11.613 -7.369 254 1HD1 ILE 7 1HD1 ILE 7 0.269 10.170 -9.483 255 2HD1 ILE 7 2HD1 ILE 7 1.043 11.621 -8.793 256 3HD1 ILE 7 3HD1 ILE 7 2.018 10.424 -9.657 257 H GLU 8 H GLU 8 2.903 8.068 -5.768 258 HA GLU 8 HA GLU 8 2.170 5.467 -6.682 259 1HB GLU 8 1HB GLU 8 4.334 6.639 -7.121 260 2HB GLU 8 2HB GLU 8 4.809 6.333 -5.446 261 1HG GLU 8 1HG GLU 8 5.755 4.641 -6.993 262 2HG GLU 8 2HG GLU 8 4.642 3.878 -5.853 263 H ALA 9 H ALA 9 3.196 6.585 -3.416 264 HA ALA 9 HA ALA 9 2.951 4.101 -2.064 265 1HB ALA 9 1HB ALA 9 2.395 6.916 -1.035 266 2HB ALA 9 2HB ALA 9 2.705 5.474 -0.046 267 3HB ALA 9 3HB ALA 9 3.980 6.117 -1.095 268 H ARG 10 H ARG 10 0.482 6.649 -2.654 269 HA ARG 10 HA ARG 10 -1.722 5.320 -1.480 270 1HB ARG 10 1HB ARG 10 -1.664 7.714 -2.250 271 2HB ARG 10 2HB ARG 10 -1.779 7.125 -3.918 272 1HG ARG 10 1HG ARG 10 -3.897 5.841 -3.113 273 2HG ARG 10 2HG ARG 10 -3.822 6.845 -1.672 274 1HD ARG 10 1HD ARG 10 -4.163 8.854 -2.946 275 2HD ARG 10 2HD ARG 10 -3.854 8.049 -4.485 276 HE ARG 10 HE ARG 10 -6.349 8.094 -3.008 277 1HH1 ARG 10 1HH1 ARG 10 -4.470 6.177 -5.284 278 2HH1 ARG 10 2HH1 ARG 10 -5.820 5.176 -5.773 279 1HH2 ARG 10 1HH2 ARG 10 -8.097 6.811 -3.638 280 2HH2 ARG 10 2HH2 ARG 10 -7.868 5.485 -4.758 281 H LYS 11 H LYS 11 -0.643 5.199 -4.940 282 HA LYS 11 HA LYS 11 -2.568 3.367 -5.909 283 1HB LYS 11 1HB LYS 11 0.318 3.911 -6.675 284 2HB LYS 11 2HB LYS 11 -0.694 2.747 -7.539 285 1HG LYS 11 1HG LYS 11 -2.185 4.391 -8.331 286 2HG LYS 11 2HG LYS 11 -1.653 5.590 -7.147 287 1HD LYS 11 1HD LYS 11 -0.775 6.116 -9.392 288 2HD LYS 11 2HD LYS 11 0.517 5.821 -8.229 289 1HE LYS 11 1HE LYS 11 0.772 3.484 -9.129 290 2HE LYS 11 2HE LYS 11 -0.499 3.837 -10.317 291 1HZ LYS 11 1HZ LYS 11 1.655 4.138 -11.239 292 2HZ LYS 11 2HZ LYS 11 0.946 5.622 -11.117 293 3HZ LYS 11 3HZ LYS 11 2.111 5.163 -10.037 294 H TYR 12 H TYR 12 0.691 2.664 -4.574 295 HA TYR 12 HA TYR 12 0.604 -0.151 -4.638 296 1HB TYR 12 1HB TYR 12 2.615 1.070 -4.241 297 2HB TYR 12 2HB TYR 12 1.950 1.867 -2.830 298 HD1 TYR 12 1HD TYR 12 2.904 -1.546 -4.095 299 HD2 TYR 12 2HD TYR 12 2.477 1.085 -0.712 300 HE1 TYR 12 1HE TYR 12 4.138 -3.167 -2.667 301 HE2 TYR 12 2HE TYR 12 3.580 -0.589 0.735 302 HH TYR 12 HH TYR 12 4.567 -2.612 0.828 303 H LEU 13 H LEU 13 -0.278 1.965 -1.849 304 HA LEU 13 HA LEU 13 -1.296 -0.032 -0.139 305 1HB LEU 13 1HB LEU 13 -0.795 2.310 0.425 306 2HB LEU 13 2HB LEU 13 -2.217 2.867 -0.445 307 HG LEU 13 HG LEU 13 -2.414 0.869 1.845 308 1HD1 LEU 13 1HD1 LEU 13 -2.811 2.789 3.357 309 2HD1 LEU 13 2HD1 LEU 13 -1.170 2.767 2.703 310 3HD1 LEU 13 3HD1 LEU 13 -2.371 3.901 2.041 311 1HD2 LEU 13 1HD2 LEU 13 -4.659 1.967 2.152 312 2HD2 LEU 13 2HD2 LEU 13 -4.378 2.898 0.670 313 3HD2 LEU 13 3HD2 LEU 13 -4.535 1.129 0.616 314 H GLU 14 H GLU 14 -3.154 2.005 -2.428 315 HA GLU 14 HA GLU 14 -5.682 0.846 -2.068 316 1HB GLU 14 1HB GLU 14 -5.265 2.967 -3.202 317 2HB GLU 14 2HB GLU 14 -4.452 2.136 -4.538 318 1HG GLU 14 1HG GLU 14 -6.537 0.995 -5.160 319 2HG GLU 14 2HG GLU 14 -7.362 1.644 -3.733 320 H GLN 15 H GLN 15 -3.163 -0.062 -4.494 321 HA GLN 15 HA GLN 15 -4.693 -2.089 -5.709 322 1HB GLN 15 1HB GLN 15 -2.715 -1.110 -6.744 323 2HB GLN 15 2HB GLN 15 -1.676 -1.783 -5.480 324 1HG GLN 15 1HG GLN 15 -1.543 -3.095 -7.544 325 2HG GLN 15 2HG GLN 15 -2.191 -4.080 -6.237 326 1HE2 GLN 15 1HE2 GLN 15 -4.634 -4.397 -6.214 327 2HE2 GLN 15 2HE2 GLN 15 -5.419 -4.410 -7.798 328 H LEU 16 H LEU 16 -2.309 -2.325 -3.013 329 HA LEU 16 HA LEU 16 -2.581 -5.135 -2.539 330 1HB LEU 16 1HB LEU 16 -2.012 -2.794 -0.687 331 2HB LEU 16 2HB LEU 16 -1.960 -4.473 -0.147 332 HG LEU 16 HG LEU 16 -0.242 -3.431 -2.442 333 1HD1 LEU 16 1HD1 LEU 16 0.308 -2.163 -0.432 334 2HD1 LEU 16 2HD1 LEU 16 0.363 -3.653 0.537 335 3HD1 LEU 16 3HD1 LEU 16 1.573 -3.369 -0.729 336 1HD2 LEU 16 1HD2 LEU 16 1.134 -5.426 -1.893 337 2HD2 LEU 16 2HD2 LEU 16 -0.059 -5.915 -0.673 338 3HD2 LEU 16 3HD2 LEU 16 -0.492 -5.896 -2.396 339 H HIS 17 H HIS 17 -4.362 -2.405 -1.000 340 HA HIS 17 HA HIS 17 -6.163 -3.945 0.513 341 1HB HIS 17 1HB HIS 17 -5.886 -1.542 0.769 342 2HB HIS 17 2HB HIS 17 -6.541 -1.259 -0.842 343 HD1 HIS 17 1HD HIS 17 -8.352 -3.708 1.560 344 HD2 HIS 17 2HD HIS 17 -8.565 0.218 0.010 345 HE1 HIS 17 1HE HIS 17 -10.642 -2.779 2.174 346 H ARG 18 H ARG 18 -6.591 -2.812 -2.880 347 HA ARG 18 HA ARG 18 -9.131 -3.970 -3.353 348 1HB ARG 18 1HB ARG 18 -6.799 -3.336 -5.181 349 2HB ARG 18 2HB ARG 18 -8.316 -4.019 -5.784 350 1HG ARG 18 1HG ARG 18 -9.602 -2.141 -4.939 351 2HG ARG 18 2HG ARG 18 -8.172 -1.434 -4.175 352 1HD ARG 18 1HD ARG 18 -7.087 -1.222 -6.395 353 2HD ARG 18 2HD ARG 18 -8.530 -1.928 -7.163 354 HE ARG 18 HE ARG 18 -9.357 0.281 -5.588 355 1HH1 ARG 18 1HH1 ARG 18 -7.499 -0.329 -8.514 356 2HH1 ARG 18 2HH1 ARG 18 -7.863 1.225 -9.227 357 1HH2 ARG 18 1HH2 ARG 18 -9.786 2.305 -6.490 358 2HH2 ARG 18 2HH2 ARG 18 -9.193 2.713 -8.081 359 H LYS 19 H LYS 19 -5.869 -5.473 -3.941 360 HA LYS 19 HA LYS 19 -6.923 -8.008 -4.784 361 1HB LYS 19 1HB LYS 19 -4.302 -7.178 -3.489 362 2HB LYS 19 2HB LYS 19 -4.677 -8.866 -3.870 363 1HG LYS 19 1HG LYS 19 -5.036 -8.317 -6.229 364 2HG LYS 19 2HG LYS 19 -4.687 -6.608 -5.906 365 1HD LYS 19 1HD LYS 19 -2.388 -7.142 -5.252 366 2HD LYS 19 2HD LYS 19 -2.739 -8.876 -5.277 367 1HE LYS 19 1HE LYS 19 -1.501 -8.293 -7.288 368 2HE LYS 19 2HE LYS 19 -3.143 -8.794 -7.722 369 1HZ LYS 19 1HZ LYS 19 -3.723 -6.472 -7.898 370 2HZ LYS 19 2HZ LYS 19 -2.189 -6.024 -7.501 371 3HZ LYS 19 3HZ LYS 19 -2.471 -6.840 -8.904 372 H LEU 20 H LEU 20 -5.928 -6.920 -1.518 373 HA LEU 20 HA LEU 20 -6.648 -9.353 -0.190 374 1HB LEU 20 1HB LEU 20 -6.353 -6.513 0.838 375 2HB LEU 20 2HB LEU 20 -6.465 -7.942 1.872 376 HG LEU 20 HG LEU 20 -4.276 -7.622 -0.247 377 1HD1 LEU 20 1HD1 LEU 20 -4.217 -6.894 2.692 378 2HD1 LEU 20 2HD1 LEU 20 -2.807 -6.934 1.610 379 3HD1 LEU 20 3HD1 LEU 20 -4.111 -5.767 1.329 380 1HD2 LEU 20 1HD2 LEU 20 -3.106 -9.299 1.152 381 2HD2 LEU 20 2HD2 LEU 20 -4.559 -9.472 2.152 382 3HD2 LEU 20 3HD2 LEU 20 -4.590 -9.939 0.443 383 H LYS 21 H LYS 21 -8.626 -6.532 -1.038 384 HA LYS 21 HA LYS 21 -10.982 -7.439 0.380 385 1HB LYS 21 1HB LYS 21 -10.577 -5.110 -0.418 386 2HB LYS 21 2HB LYS 21 -10.756 -5.663 -2.086 387 1HG LYS 21 1HG LYS 21 -13.081 -6.391 -1.601 388 2HG LYS 21 2HG LYS 21 -12.875 -5.908 0.095 389 1HD LYS 21 1HD LYS 21 -12.481 -3.550 -0.623 390 2HD LYS 21 2HD LYS 21 -12.614 -4.044 -2.316 391 1HE LYS 21 1HE LYS 21 -14.715 -3.044 -1.618 392 2HE LYS 21 2HE LYS 21 -14.972 -4.770 -1.920 393 1HZ LYS 21 1HZ LYS 21 -16.013 -4.023 0.102 394 2HZ LYS 21 2HZ LYS 21 -14.845 -5.134 0.440 395 3HZ LYS 21 3HZ LYS 21 -14.565 -3.534 0.719 396 H ASN 22 H ASN 22 -9.951 -7.683 -3.057 397 HA ASN 22 HA ASN 22 -12.082 -9.222 -4.022 398 1HB ASN 22 1HB ASN 22 -10.170 -8.013 -5.257 399 2HB ASN 22 2HB ASN 22 -9.226 -9.488 -5.030 400 1HD2 ASN 22 1HD2 ASN 22 -11.600 -11.358 -5.502 401 2HD2 ASN 22 2HD2 ASN 22 -11.914 -11.134 -7.217 402 H CYS 23 H CYS 23 -9.127 -10.319 -2.367 403 HA CYS 23 HA CYS 23 -9.291 -13.091 -2.523 404 1HB CYS 23 1HB CYS 23 -7.555 -11.871 -1.327 405 2HB CYS 23 2HB CYS 23 -8.736 -11.329 -0.129 406 H LYS 24 H LYS 24 -11.381 -10.951 -0.586 407 HA LYS 24 HA LYS 24 -13.390 -11.156 0.277 408 1HB LYS 24 1HB LYS 24 -13.741 -11.946 -2.034 409 2HB LYS 24 2HB LYS 24 -13.699 -13.625 -1.465 410 1HG LYS 24 1HG LYS 24 -15.614 -13.102 0.081 411 2HG LYS 24 2HG LYS 24 -15.679 -11.468 -0.590 412 1HD LYS 24 1HD LYS 24 -16.055 -14.063 -2.172 413 2HD LYS 24 2HD LYS 24 -17.360 -13.029 -1.571 414 1HE LYS 24 1HE LYS 24 -16.431 -11.127 -2.947 415 2HE LYS 24 2HE LYS 24 -15.257 -12.258 -3.649 416 1HZ LYS 24 1HZ LYS 24 -17.077 -13.569 -4.448 417 2HZ LYS 24 2HZ LYS 24 -18.173 -12.517 -3.808 418 3HZ LYS 24 3HZ LYS 24 -17.172 -12.027 -5.022 419 H VAL 25 H VAL 25 -12.147 -14.521 0.301 420 HA VAL 25 HA VAL 25 -13.801 -15.515 2.336 421 HB VAL 25 HB VAL 25 -12.159 -17.299 2.615 422 1HG1 VAL 25 1HG1 VAL 25 -12.448 -16.526 -0.320 423 2HG1 VAL 25 2HG1 VAL 25 -12.169 -18.145 0.341 424 3HG1 VAL 25 3HG1 VAL 25 -13.698 -17.312 0.669 425 1HG2 VAL 25 1HG2 VAL 25 -10.312 -15.654 0.828 426 2HG2 VAL 25 2HG2 VAL 25 -10.044 -16.022 2.543 427 3HG2 VAL 25 3HG2 VAL 25 -10.046 -17.325 1.349 428 1H GLU 1 1H GLU 1 8.789 7.773 0.469 429 2H GLU 1 2H GLU 1 9.346 9.197 -0.132 430 3H GLU 1 3H GLU 1 8.282 8.294 -1.014 431 HA GLU 1 HA GLU 1 7.234 10.172 -0.031 432 1HB GLU 1 1HB GLU 1 5.911 8.193 -0.512 433 2HB GLU 1 2HB GLU 1 6.404 7.427 1.001 434 1HG GLU 1 1HG GLU 1 4.074 8.347 1.016 435 2HG GLU 1 2HG GLU 1 5.089 8.954 2.322 436 H ASN 2 H ASN 2 6.749 11.473 1.776 437 HA ASN 2 HA ASN 2 7.755 10.707 4.446 438 1HB ASN 2 1HB ASN 2 9.440 12.452 4.548 439 2HB ASN 2 2HB ASN 2 9.781 11.400 3.177 440 1HD2 ASN 2 1HD2 ASN 2 8.406 14.534 4.114 441 2HD2 ASN 2 2HD2 ASN 2 8.754 15.330 2.569 442 H ARG 3 H ARG 3 5.155 11.659 3.213 443 HA ARG 3 HA ARG 3 4.565 13.734 5.289 444 1HB ARG 3 1HB ARG 3 3.710 13.666 2.371 445 2HB ARG 3 2HB ARG 3 2.842 14.581 3.601 446 1HG ARG 3 1HG ARG 3 4.293 16.265 3.550 447 2HG ARG 3 2HG ARG 3 5.688 15.210 3.769 448 1HD ARG 3 1HD ARG 3 4.287 15.664 1.102 449 2HD ARG 3 2HD ARG 3 5.718 16.531 1.644 450 HE ARG 3 HE ARG 3 6.959 14.439 1.787 451 1HH1 ARG 3 1HH1 ARG 3 4.057 14.220 -0.256 452 2HH1 ARG 3 2HH1 ARG 3 4.827 13.071 -1.339 453 1HH2 ARG 3 1HH2 ARG 3 7.862 12.981 0.368 454 2HH2 ARG 3 2HH2 ARG 3 6.848 12.253 -0.877 455 H GLU 4 H GLU 4 2.740 11.739 2.915 456 HA GLU 4 HA GLU 4 1.091 10.698 5.166 457 1HB GLU 4 1HB GLU 4 0.208 12.654 3.437 458 2HB GLU 4 2HB GLU 4 -0.320 11.202 2.590 459 1HG GLU 4 1HG GLU 4 -0.976 11.991 5.470 460 2HG GLU 4 2HG GLU 4 -2.067 12.092 4.092 461 H VAL 5 H VAL 5 0.229 8.604 4.830 462 HA VAL 5 HA VAL 5 0.678 6.404 4.491 463 HB VAL 5 HB VAL 5 1.322 7.070 1.596 464 1HG1 VAL 5 1HG1 VAL 5 1.952 4.773 2.278 465 2HG1 VAL 5 2HG1 VAL 5 0.353 4.542 3.007 466 3HG1 VAL 5 3HG1 VAL 5 0.515 4.738 1.250 467 1HG2 VAL 5 1HG2 VAL 5 -1.068 6.527 1.183 468 2HG2 VAL 5 2HG2 VAL 5 -1.353 6.471 2.935 469 3HG2 VAL 5 3HG2 VAL 5 -0.894 7.996 2.146 470 HA PRO 6 HA PRO 6 5.014 7.911 4.917 471 1HB PRO 6 1HB PRO 6 5.538 7.304 7.562 472 2HB PRO 6 2HB PRO 6 4.591 8.725 7.038 473 1HG PRO 6 1HG PRO 6 3.518 6.007 7.862 474 2HG PRO 6 2HG PRO 6 3.045 7.605 8.513 475 1HD PRO 6 1HD PRO 6 1.600 6.433 6.565 476 2HD PRO 6 2HD PRO 6 1.943 8.188 6.484 477 HA PRO 7 HA PRO 7 7.448 4.360 4.007 478 1HB PRO 7 1HB PRO 7 9.202 5.203 6.338 479 2HB PRO 7 2HB PRO 7 9.709 4.586 4.736 480 1HG PRO 7 1HG PRO 7 9.681 7.254 5.152 481 2HG PRO 7 2HG PRO 7 8.942 6.600 3.661 482 1HD PRO 7 1HD PRO 7 7.557 7.499 6.190 483 2HD PRO 7 2HD PRO 7 7.128 7.803 4.484 484 H GLY 8 H GLY 8 6.893 4.734 7.516 485 1HA GLY 8 1HA GLY 8 7.232 2.218 8.568 486 2HA GLY 8 2HA GLY 8 5.909 3.301 9.013 487 H PHE 9 H PHE 9 4.469 3.250 6.505 488 HA PHE 9 HA PHE 9 2.912 0.832 6.835 489 1HB PHE 9 1HB PHE 9 1.832 2.815 6.039 490 2HB PHE 9 2HB PHE 9 2.991 3.020 4.730 491 HD1 PHE 9 1HD PHE 9 0.618 0.404 6.012 492 HD2 PHE 9 2HD PHE 9 2.402 2.287 2.572 493 HE1 PHE 9 1HE PHE 9 -0.621 -1.146 4.516 494 HE2 PHE 9 2HE PHE 9 1.099 0.790 1.086 495 HZ PHE 9 HZ PHE 9 -0.322 -0.987 2.046 496 H THR 10 H THR 10 4.943 1.922 4.057 497 HA THR 10 HA THR 10 4.957 -0.467 2.627 498 HB THR 10 HB THR 10 7.238 1.545 2.851 499 HG1 THR 10 1HG THR 10 6.037 2.563 1.139 500 1HG2 THR 10 1HG2 THR 10 7.766 -0.471 1.470 501 2HG2 THR 10 2HG2 THR 10 6.278 -0.206 0.534 502 3HG2 THR 10 3HG2 THR 10 7.597 0.977 0.465 503 H ALA 11 H ALA 11 7.166 0.591 5.212 504 HA ALA 11 HA ALA 11 8.899 -1.661 5.225 505 1HB ALA 11 1HB ALA 11 9.593 -0.823 7.400 506 2HB ALA 11 2HB ALA 11 9.405 0.515 6.255 507 3HB ALA 11 3HB ALA 11 8.158 0.227 7.486 508 H LEU 12 H LEU 12 5.906 -1.025 7.193 509 HA LEU 12 HA LEU 12 5.831 -3.487 8.564 510 1HB LEU 12 1HB LEU 12 4.372 -1.623 9.053 511 2HB LEU 12 2HB LEU 12 3.508 -1.797 7.530 512 HG LEU 12 HG LEU 12 3.636 -4.047 9.565 513 1HD1 LEU 12 1HD1 LEU 12 1.462 -3.243 10.428 514 2HD1 LEU 12 2HD1 LEU 12 2.751 -2.085 10.721 515 3HD1 LEU 12 3HD1 LEU 12 1.588 -1.806 9.398 516 1HD2 LEU 12 1HD2 LEU 12 1.349 -4.577 8.558 517 2HD2 LEU 12 2HD2 LEU 12 1.685 -3.367 7.309 518 3HD2 LEU 12 3HD2 LEU 12 2.675 -4.838 7.448 519 H ILE 13 H ILE 13 4.313 -2.701 5.378 520 HA ILE 13 HA ILE 13 3.411 -5.367 4.898 521 HB ILE 13 HB ILE 13 4.135 -3.216 2.892 522 1HG1 ILE 13 1HG1 ILE 13 2.370 -2.470 4.467 523 2HG1 ILE 13 2HG1 ILE 13 1.800 -2.648 2.815 524 1HG2 ILE 13 1HG2 ILE 13 2.512 -5.781 2.567 525 2HG2 ILE 13 2HG2 ILE 13 2.588 -4.467 1.371 526 3HG2 ILE 13 3HG2 ILE 13 4.039 -5.379 1.788 527 1HD1 ILE 13 1HD1 ILE 13 1.301 -4.664 5.055 528 2HD1 ILE 13 2HD1 ILE 13 0.161 -3.453 4.465 529 3HD1 ILE 13 3HD1 ILE 13 0.666 -4.760 3.394 530 H LYS 14 H LYS 14 6.508 -3.833 3.874 531 HA LYS 14 HA LYS 14 7.593 -6.115 2.613 532 1HB LYS 14 1HB LYS 14 8.593 -3.888 2.446 533 2HB LYS 14 2HB LYS 14 8.954 -3.888 4.173 534 1HG LYS 14 1HG LYS 14 10.947 -4.345 2.838 535 2HG LYS 14 2HG LYS 14 10.577 -5.698 3.905 536 1HD LYS 14 1HD LYS 14 9.596 -6.961 2.006 537 2HD LYS 14 2HD LYS 14 9.860 -5.568 0.930 538 1HE LYS 14 1HE LYS 14 12.308 -5.758 1.314 539 2HE LYS 14 2HE LYS 14 12.032 -7.116 2.422 540 1HZ LYS 14 1HZ LYS 14 11.330 -7.072 -0.431 541 2HZ LYS 14 2HZ LYS 14 12.614 -7.860 0.237 542 3HZ LYS 14 3HZ LYS 14 11.077 -8.331 0.601 543 H THR 15 H THR 15 7.656 -5.204 6.071 544 HA THR 15 HA THR 15 9.197 -7.434 6.972 545 HB THR 15 HB THR 15 7.076 -5.937 8.554 546 HG1 THR 15 1HG THR 15 8.675 -4.545 7.666 547 1HG2 THR 15 1HG2 THR 15 9.614 -7.404 9.403 548 2HG2 THR 15 2HG2 THR 15 8.471 -6.543 10.452 549 3HG2 THR 15 3HG2 THR 15 7.974 -8.040 9.631 550 H LEU 16 H LEU 16 5.660 -7.003 6.581 551 HA LEU 16 HA LEU 16 4.838 -9.560 7.503 552 1HB LEU 16 1HB LEU 16 3.407 -7.606 7.177 553 2HB LEU 16 2HB LEU 16 3.560 -7.722 5.434 554 HG LEU 16 HG LEU 16 2.609 -10.186 6.836 555 1HD1 LEU 16 1HD1 LEU 16 1.396 -8.472 8.089 556 2HD1 LEU 16 2HD1 LEU 16 0.892 -7.685 6.577 557 3HD1 LEU 16 3HD1 LEU 16 0.294 -9.310 6.986 558 1HD2 LEU 16 1HD2 LEU 16 1.121 -10.286 4.863 559 2HD2 LEU 16 2HD2 LEU 16 1.642 -8.668 4.360 560 3HD2 LEU 16 3HD2 LEU 16 2.792 -10.017 4.336 561 H ARG 17 H ARG 17 5.759 -8.500 4.188 562 HA ARG 17 HA ARG 17 5.519 -11.089 2.977 563 1HB ARG 17 1HB ARG 17 7.276 -8.703 2.279 564 2HB ARG 17 2HB ARG 17 7.170 -10.182 1.311 565 1HG ARG 17 1HG ARG 17 4.716 -9.868 1.093 566 2HG ARG 17 2HG ARG 17 4.834 -8.323 1.948 567 1HD ARG 17 1HD ARG 17 6.345 -8.992 -0.620 568 2HD ARG 17 2HD ARG 17 4.780 -8.197 -0.578 569 HE ARG 17 HE ARG 17 7.308 -7.121 0.649 570 1HH1 ARG 17 1HH1 ARG 17 4.227 -6.363 -1.013 571 2HH1 ARG 17 2HH1 ARG 17 4.493 -4.640 -0.782 572 1HH2 ARG 17 1HH2 ARG 17 7.537 -4.862 0.775 573 2HH2 ARG 17 2HH2 ARG 17 6.270 -3.845 0.095 574 H LYS 18 H LYS 18 8.433 -9.499 4.369 575 HA LYS 18 HA LYS 18 10.266 -11.603 4.087 576 1HB LYS 18 1HB LYS 18 11.008 -9.436 4.680 577 2HB LYS 18 2HB LYS 18 9.976 -9.378 6.115 578 1HG LYS 18 1HG LYS 18 11.274 -10.993 7.273 579 2HG LYS 18 2HG LYS 18 12.245 -11.379 5.835 580 1HD LYS 18 1HD LYS 18 13.323 -9.205 5.925 581 2HD LYS 18 2HD LYS 18 12.133 -8.597 7.090 582 1HE LYS 18 1HE LYS 18 14.244 -9.136 8.243 583 2HE LYS 18 2HE LYS 18 12.926 -10.173 8.808 584 1HZ LYS 18 1HZ LYS 18 15.014 -10.928 6.884 585 2HZ LYS 18 2HZ LYS 18 14.855 -11.443 8.450 586 3HZ LYS 18 3HZ LYS 18 13.744 -11.886 7.326 587 H CYS 19 H CYS 19 7.991 -11.073 6.789 588 HA CYS 19 HA CYS 19 8.661 -13.327 8.377 589 1HB CYS 19 1HB CYS 19 7.360 -11.411 9.126 590 2HB CYS 19 2HB CYS 19 6.054 -11.829 8.018 591 H LYS 20 H LYS 20 7.330 -13.375 5.243 592 HA LYS 20 HA LYS 20 6.787 -15.029 3.881 593 1HB LYS 20 1HB LYS 20 7.020 -17.055 6.125 594 2HB LYS 20 2HB LYS 20 7.069 -17.348 4.401 595 1HG LYS 20 1HG LYS 20 9.160 -15.871 6.054 596 2HG LYS 20 2HG LYS 20 9.306 -17.475 5.371 597 1HD LYS 20 1HD LYS 20 9.106 -14.846 3.817 598 2HD LYS 20 2HD LYS 20 10.559 -15.799 4.067 599 1HE LYS 20 1HE LYS 20 8.107 -16.665 2.456 600 2HE LYS 20 2HE LYS 20 9.674 -16.167 1.814 601 1HZ LYS 20 1HZ LYS 20 9.187 -18.523 3.493 602 2HZ LYS 20 2HZ LYS 20 9.492 -18.529 1.874 603 3HZ LYS 20 3HZ LYS 20 10.661 -18.043 2.932 604 H ILE 21 H ILE 21 4.810 -13.508 5.404 605 HA ILE 21 HA ILE 21 2.499 -15.279 5.694 606 HB ILE 21 HB ILE 21 2.700 -12.264 5.432 607 1HG1 ILE 21 1HG1 ILE 21 3.916 -12.930 7.402 608 2HG1 ILE 21 2HG1 ILE 21 2.379 -12.233 7.894 609 1HG2 ILE 21 1HG2 ILE 21 0.444 -12.283 6.526 610 2HG2 ILE 21 2HG2 ILE 21 0.455 -12.925 4.883 611 3HG2 ILE 21 3HG2 ILE 21 0.381 -14.042 6.257 612 1HD1 ILE 21 1HD1 ILE 21 2.853 -14.146 9.269 613 2HD1 ILE 21 2HD1 ILE 21 1.471 -14.551 8.240 614 3HD1 ILE 21 3HD1 ILE 21 3.091 -15.193 7.867 615 H ILE 22 H ILE 22 3.792 -13.207 3.109 616 HA ILE 22 HA ILE 22 2.400 -14.790 1.130 617 HB ILE 22 HB ILE 22 0.612 -13.212 1.741 618 1HG1 ILE 22 1HG1 ILE 22 0.086 -12.242 -0.431 619 2HG1 ILE 22 2HG1 ILE 22 1.729 -12.519 -1.011 620 1HG2 ILE 22 1HG2 ILE 22 2.475 -10.969 0.860 621 2HG2 ILE 22 2HG2 ILE 22 0.793 -10.816 1.395 622 3HG2 ILE 22 3HG2 ILE 22 2.032 -11.336 2.541 623 1HD1 ILE 22 1HD1 ILE 22 0.058 -14.220 -1.781 624 2HD1 ILE 22 2HD1 ILE 22 1.389 -14.955 -0.880 625 3HD1 ILE 22 3HD1 ILE 22 -0.191 -14.714 -0.095 626 1H ASN 1 1H ASN 1 -4.800 14.196 17.765 627 2H ASN 1 2H ASN 1 -4.575 13.427 16.330 628 3H ASN 1 3H ASN 1 -3.316 14.224 17.045 629 HA ASN 1 HA ASN 1 -4.428 16.304 16.794 630 1HB ASN 1 1HB ASN 1 -2.820 15.541 15.088 631 2HB ASN 1 2HB ASN 1 -4.122 14.720 14.218 632 1HD2 ASN 1 1HD2 ASN 1 -3.829 15.976 12.267 633 2HD2 ASN 1 2HD2 ASN 1 -4.259 17.672 12.234 634 H LEU 2 H LEU 2 -6.084 17.523 15.625 635 HA LEU 2 HA LEU 2 -8.665 16.904 16.469 636 1HB LEU 2 1HB LEU 2 -7.603 18.785 14.334 637 2HB LEU 2 2HB LEU 2 -9.325 18.658 14.698 638 HG LEU 2 HG LEU 2 -8.938 19.269 17.049 639 1HD1 LEU 2 1HD1 LEU 2 -6.044 19.697 16.174 640 2HD1 LEU 2 2HD1 LEU 2 -6.756 20.358 17.658 641 3HD1 LEU 2 3HD1 LEU 2 -6.625 18.612 17.465 642 1HD2 LEU 2 1HD2 LEU 2 -9.524 20.957 15.342 643 2HD2 LEU 2 2HD2 LEU 2 -8.484 21.649 16.598 644 3HD2 LEU 2 3HD2 LEU 2 -7.799 21.232 15.013 645 H VAL 3 H VAL 3 -7.227 16.136 13.323 646 HA VAL 3 HA VAL 3 -9.489 15.277 11.899 647 HB VAL 3 HB VAL 3 -7.945 13.867 10.626 648 1HG1 VAL 3 1HG1 VAL 3 -8.037 16.297 10.166 649 2HG1 VAL 3 2HG1 VAL 3 -6.692 16.567 11.295 650 3HG1 VAL 3 3HG1 VAL 3 -6.441 15.601 9.831 651 1HG2 VAL 3 1HG2 VAL 3 -5.574 13.712 11.201 652 2HG2 VAL 3 2HG2 VAL 3 -5.836 14.618 12.696 653 3HG2 VAL 3 3HG2 VAL 3 -6.529 13.001 12.490 654 H SER 4 H SER 4 -8.018 13.711 14.646 655 HA SER 4 HA SER 4 -8.474 11.893 15.816 656 1HB SER 4 1HB SER 4 -10.588 10.957 15.925 657 2HB SER 4 2HB SER 4 -10.918 12.556 15.251 658 HG SER 4 HG SER 4 -10.877 11.511 13.157 659 H GLY 5 H GLY 5 -8.803 9.377 15.640 660 1HA GLY 5 1HA GLY 5 -8.041 7.372 14.820 661 2HA GLY 5 2HA GLY 5 -7.863 8.097 13.221 662 H LEU 6 H LEU 6 -6.011 9.979 13.496 663 HA LEU 6 HA LEU 6 -3.680 8.991 12.866 664 1HB LEU 6 1HB LEU 6 -4.444 11.418 13.158 665 2HB LEU 6 2HB LEU 6 -3.692 11.378 14.749 666 HG LEU 6 HG LEU 6 -2.342 10.892 12.052 667 1HD1 LEU 6 1HD1 LEU 6 -2.112 13.236 13.973 668 2HD1 LEU 6 2HD1 LEU 6 -1.316 13.075 12.393 669 3HD1 LEU 6 3HD1 LEU 6 -3.079 13.219 12.482 670 1HD2 LEU 6 1HD2 LEU 6 -0.196 11.196 13.381 671 2HD2 LEU 6 2HD2 LEU 6 -1.146 10.960 14.859 672 3HD2 LEU 6 3HD2 LEU 6 -1.010 9.662 13.643 673 H ILE 7 H ILE 7 -3.956 9.875 16.360 674 HA ILE 7 HA ILE 7 -1.517 8.643 17.070 675 HB ILE 7 HB ILE 7 -2.264 8.823 19.381 676 1HG1 ILE 7 1HG1 ILE 7 -4.987 9.621 18.237 677 2HG1 ILE 7 2HG1 ILE 7 -4.621 8.173 19.187 678 1HG2 ILE 7 1HG2 ILE 7 -3.057 11.295 17.787 679 2HG2 ILE 7 2HG2 ILE 7 -2.376 11.228 19.425 680 3HG2 ILE 7 3HG2 ILE 7 -1.382 10.766 18.046 681 1HD1 ILE 7 1HD1 ILE 7 -4.522 11.038 20.178 682 2HD1 ILE 7 2HD1 ILE 7 -5.650 9.757 20.640 683 3HD1 ILE 7 3HD1 ILE 7 -3.942 9.628 21.101 684 H GLU 8 H GLU 8 -4.746 7.171 16.890 685 HA GLU 8 HA GLU 8 -3.927 4.704 18.233 686 1HB GLU 8 1HB GLU 8 -6.224 5.586 18.366 687 2HB GLU 8 2HB GLU 8 -6.418 5.385 16.615 688 1HG GLU 8 1HG GLU 8 -6.099 2.934 16.844 689 2HG GLU 8 2HG GLU 8 -5.798 3.125 18.580 690 H ALA 9 H ALA 9 -4.560 5.796 14.897 691 HA ALA 9 HA ALA 9 -3.957 3.387 13.516 692 1HB ALA 9 1HB ALA 9 -3.641 4.840 11.580 693 2HB ALA 9 2HB ALA 9 -5.044 5.374 12.517 694 3HB ALA 9 3HB ALA 9 -3.515 6.271 12.625 695 H ARG 10 H ARG 10 -1.813 6.112 14.414 696 HA ARG 10 HA ARG 10 0.670 5.050 13.570 697 1HB ARG 10 1HB ARG 10 0.328 7.377 14.186 698 2HB ARG 10 2HB ARG 10 -0.026 6.925 15.859 699 1HG ARG 10 1HG ARG 10 2.284 6.028 16.115 700 2HG ARG 10 2HG ARG 10 2.647 6.485 14.441 701 1HD ARG 10 1HD ARG 10 1.732 8.420 16.617 702 2HD ARG 10 2HD ARG 10 3.433 8.107 16.212 703 HE ARG 10 HE ARG 10 2.238 8.768 13.787 704 1HH1 ARG 10 1HH1 ARG 10 2.707 10.392 16.877 705 2HH1 ARG 10 2HH1 ARG 10 2.857 11.979 16.158 706 1HH2 ARG 10 1HH2 ARG 10 2.505 10.767 12.874 707 2HH2 ARG 10 2HH2 ARG 10 2.722 12.203 13.857 708 H LYS 11 H LYS 11 -0.834 4.887 16.880 709 HA LYS 11 HA LYS 11 1.101 3.267 18.088 710 1HB LYS 11 1HB LYS 11 -0.727 4.375 19.278 711 2HB LYS 11 2HB LYS 11 -1.905 3.296 18.511 712 1HG LYS 11 1HG LYS 11 -0.891 1.343 19.661 713 2HG LYS 11 2HG LYS 11 0.380 2.379 20.311 714 1HD LYS 11 1HD LYS 11 -1.341 1.904 22.002 715 2HD LYS 11 2HD LYS 11 -1.225 3.632 21.655 716 1HE LYS 11 1HE LYS 11 -3.574 2.838 21.898 717 2HE LYS 11 2HE LYS 11 -3.270 3.574 20.325 718 1HZ LYS 11 1HZ LYS 11 -3.061 1.382 19.401 719 2HZ LYS 11 2HZ LYS 11 -3.296 0.684 20.876 720 3HZ LYS 11 3HZ LYS 11 -4.514 1.534 20.161 721 H TYR 12 H TYR 12 -1.858 2.154 16.368 722 HA TYR 12 HA TYR 12 -1.342 -0.631 16.573 723 1HB TYR 12 1HB TYR 12 -3.514 0.373 16.001 724 2HB TYR 12 2HB TYR 12 -2.876 0.909 14.450 725 HD1 TYR 12 1HD TYR 12 -2.312 -0.754 12.674 726 HD2 TYR 12 2HD TYR 12 -4.074 -1.980 16.411 727 HE1 TYR 12 1HE TYR 12 -2.830 -2.959 11.703 728 HE2 TYR 12 2HE TYR 12 -4.629 -4.190 15.412 729 HH TYR 12 HH TYR 12 -3.738 -4.979 12.049 730 H LEU 13 H LEU 13 -0.573 1.637 13.885 731 HA LEU 13 HA LEU 13 0.731 -0.102 12.124 732 1HB LEU 13 1HB LEU 13 0.189 2.163 11.522 733 2HB LEU 13 2HB LEU 13 1.187 2.818 12.816 734 HG LEU 13 HG LEU 13 3.241 2.065 11.684 735 1HD1 LEU 13 1HD1 LEU 13 3.102 1.279 9.332 736 2HD1 LEU 13 2HD1 LEU 13 2.386 0.126 10.456 737 3HD1 LEU 13 3HD1 LEU 13 1.335 1.168 9.469 738 1HD2 LEU 13 1HD2 LEU 13 1.365 3.684 9.912 739 2HD2 LEU 13 2HD2 LEU 13 2.320 4.320 11.272 740 3HD2 LEU 13 3HD2 LEU 13 3.140 3.680 9.835 741 H GLU 14 H GLU 14 2.292 1.858 14.715 742 HA GLU 14 HA GLU 14 4.872 0.686 14.484 743 1HB GLU 14 1HB GLU 14 3.415 2.010 16.812 744 2HB GLU 14 2HB GLU 14 5.114 1.529 16.882 745 1HG GLU 14 1HG GLU 14 3.944 3.495 14.852 746 2HG GLU 14 2HG GLU 14 4.837 3.930 16.311 747 H GLN 15 H GLN 15 2.283 -0.161 16.866 748 HA GLN 15 HA GLN 15 3.645 -2.263 18.112 749 1HB GLN 15 1HB GLN 15 1.577 -1.243 18.897 750 2HB GLN 15 2HB GLN 15 0.650 -1.984 17.591 751 1HG GLN 15 1HG GLN 15 2.266 -3.716 19.514 752 2HG GLN 15 2HG GLN 15 0.716 -3.036 20.003 753 1HE2 GLN 15 1HE2 GLN 15 2.214 -5.331 17.685 754 2HE2 GLN 15 2HE2 GLN 15 0.678 -6.150 17.395 755 H LEU 16 H LEU 16 1.496 -2.482 15.234 756 HA LEU 16 HA LEU 16 1.827 -5.305 14.960 757 1HB LEU 16 1HB LEU 16 -0.104 -4.104 14.076 758 2HB LEU 16 2HB LEU 16 0.930 -3.218 12.946 759 HG LEU 16 HG LEU 16 1.488 -5.291 11.762 760 1HD1 LEU 16 1HD1 LEU 16 -0.296 -6.671 13.820 761 2HD1 LEU 16 2HD1 LEU 16 0.254 -7.413 12.304 762 3HD1 LEU 16 3HD1 LEU 16 1.433 -6.981 13.540 763 1HD2 LEU 16 1HD2 LEU 16 -0.598 -4.016 11.187 764 2HD2 LEU 16 2HD2 LEU 16 -0.675 -5.740 10.773 765 3HD2 LEU 16 3HD2 LEU 16 -1.505 -5.138 12.222 766 H HIS 17 H HIS 17 3.464 -2.527 13.297 767 HA HIS 17 HA HIS 17 5.143 -4.085 11.637 768 1HB HIS 17 1HB HIS 17 4.816 -1.606 11.528 769 2HB HIS 17 2HB HIS 17 5.831 -1.436 12.959 770 HD1 HIS 17 1HD HIS 17 7.806 -3.911 11.497 771 HD2 HIS 17 2HD HIS 17 6.709 -0.025 10.295 772 HE1 HIS 17 1HE HIS 17 9.604 -3.108 9.869 773 H ARG 18 H ARG 18 5.660 -3.014 15.022 774 HA ARG 18 HA ARG 18 8.264 -4.175 15.339 775 1HB ARG 18 1HB ARG 18 6.091 -3.441 17.323 776 2HB ARG 18 2HB ARG 18 7.720 -3.957 17.795 777 1HG ARG 18 1HG ARG 18 8.750 -2.058 16.703 778 2HG ARG 18 2HG ARG 18 7.237 -1.593 15.930 779 1HD ARG 18 1HD ARG 18 6.244 -1.304 18.268 780 2HD ARG 18 2HD ARG 18 7.906 -1.480 18.884 781 HE ARG 18 HE ARG 18 7.701 0.494 16.762 782 1HH1 ARG 18 1HH1 ARG 18 7.146 0.078 20.214 783 2HH1 ARG 18 2HH1 ARG 18 7.201 1.793 20.554 784 1HH2 ARG 18 1HH2 ARG 18 7.647 2.684 17.176 785 2HH2 ARG 18 2HH2 ARG 18 7.548 3.284 18.820 786 H LYS 19 H LYS 19 4.993 -5.446 16.228 787 HA LYS 19 HA LYS 19 5.830 -7.972 17.179 788 1HB LYS 19 1HB LYS 19 3.573 -7.060 17.412 789 2HB LYS 19 2HB LYS 19 3.290 -7.231 15.670 790 1HG LYS 19 1HG LYS 19 3.539 -9.690 15.863 791 2HG LYS 19 2HG LYS 19 3.928 -9.517 17.587 792 1HD LYS 19 1HD LYS 19 1.677 -8.555 18.008 793 2HD LYS 19 2HD LYS 19 1.315 -8.626 16.275 794 1HE LYS 19 1HE LYS 19 0.255 -10.512 17.393 795 2HE LYS 19 2HE LYS 19 1.533 -11.108 16.322 796 1HZ LYS 19 1HZ LYS 19 2.951 -11.312 18.236 797 2HZ LYS 19 2HZ LYS 19 1.778 -10.718 19.229 798 3HZ LYS 19 3HZ LYS 19 1.562 -12.165 18.470 799 H LEU 20 H LEU 20 4.952 -7.034 13.815 800 HA LEU 20 HA LEU 20 5.645 -9.530 12.609 801 1HB LEU 20 1HB LEU 20 5.587 -6.696 11.528 802 2HB LEU 20 2HB LEU 20 5.869 -8.115 10.513 803 HG LEU 20 HG LEU 20 3.369 -7.860 12.226 804 1HD1 LEU 20 1HD1 LEU 20 3.858 -6.993 9.349 805 2HD1 LEU 20 2HD1 LEU 20 2.260 -7.094 10.128 806 3HD1 LEU 20 3HD1 LEU 20 3.474 -5.951 10.731 807 1HD2 LEU 20 1HD2 LEU 20 3.856 -10.155 11.437 808 2HD2 LEU 20 2HD2 LEU 20 2.475 -9.480 10.567 809 3HD2 LEU 20 3HD2 LEU 20 4.063 -9.553 9.780 810 H LYS 21 H LYS 21 7.719 -6.600 13.185 811 HA LYS 21 HA LYS 21 10.020 -7.660 11.961 812 1HB LYS 21 1HB LYS 21 9.833 -5.333 12.677 813 2HB LYS 21 2HB LYS 21 9.802 -5.824 14.374 814 1HG LYS 21 1HG LYS 21 11.989 -4.969 13.754 815 2HG LYS 21 2HG LYS 21 12.099 -6.665 14.231 816 1HD LYS 21 1HD LYS 21 12.240 -7.352 11.846 817 2HD LYS 21 2HD LYS 21 11.939 -5.680 11.336 818 1HE LYS 21 1HE LYS 21 14.313 -6.180 11.154 819 2HE LYS 21 2HE LYS 21 14.078 -4.990 12.444 820 1HZ LYS 21 1HZ LYS 21 14.244 -6.774 14.027 821 2HZ LYS 21 2HZ LYS 21 14.416 -7.888 12.828 822 3HZ LYS 21 3HZ LYS 21 15.583 -6.749 13.068 823 H ASN 22 H ASN 22 8.833 -8.167 15.287 824 HA ASN 22 HA ASN 22 10.989 -9.850 16.154 825 1HB ASN 22 1HB ASN 22 8.121 -9.539 17.084 826 2HB ASN 22 2HB ASN 22 9.197 -10.760 17.764 827 1HD2 ASN 22 1HD2 ASN 22 8.954 -7.194 17.223 828 2HD2 ASN 22 2HD2 ASN 22 9.987 -6.833 18.608 829 H CYS 23 H CYS 23 8.517 -10.606 13.801 830 HA CYS 23 HA CYS 23 8.574 -13.460 13.972 831 1HB CYS 23 1HB CYS 23 7.047 -12.061 12.566 832 2HB CYS 23 2HB CYS 23 8.419 -11.746 11.476 833 H LYS 24 H LYS 24 10.920 -11.113 12.862 834 HA LYS 24 HA LYS 24 12.978 -11.122 12.221 835 1HB LYS 24 1HB LYS 24 14.545 -12.444 13.394 836 2HB LYS 24 2HB LYS 24 13.242 -11.869 14.431 837 1HG LYS 24 1HG LYS 24 12.246 -14.167 14.443 838 2HG LYS 24 2HG LYS 24 13.517 -14.700 13.332 839 1HD LYS 24 1HD LYS 24 14.507 -15.355 15.276 840 2HD LYS 24 2HD LYS 24 15.078 -13.687 15.318 841 1HE LYS 24 1HE LYS 24 12.635 -14.857 16.754 842 2HE LYS 24 2HE LYS 24 14.164 -14.359 17.496 843 1HZ LYS 24 1HZ LYS 24 12.174 -12.618 16.217 844 2HZ LYS 24 2HZ LYS 24 12.554 -12.691 17.813 845 3HZ LYS 24 3HZ LYS 24 13.658 -12.104 16.736 846 H VAL 25 H VAL 25 11.888 -14.442 11.413 847 HA VAL 25 HA VAL 25 13.781 -14.830 9.297 848 HB VAL 25 HB VAL 25 12.354 -16.602 10.290 849 1HG1 VAL 25 1HG1 VAL 25 10.058 -16.936 9.586 850 2HG1 VAL 25 2HG1 VAL 25 10.175 -15.345 10.347 851 3HG1 VAL 25 3HG1 VAL 25 10.083 -15.482 8.580 852 1HG2 VAL 25 1HG2 VAL 25 11.968 -17.822 8.212 853 2HG2 VAL 25 2HG2 VAL 25 12.047 -16.324 7.268 854 3HG2 VAL 25 3HG2 VAL 25 13.491 -16.922 8.114 Start of MODEL 2 1 1H GLU 1 1H GLU 1 -0.661 11.325 16.698 2 2H GLU 1 2H GLU 1 -0.156 10.931 15.180 3 3H GLU 1 3H GLU 1 0.003 12.475 15.727 4 HA GLU 1 HA GLU 1 1.567 11.796 17.390 5 1HB GLU 1 1HB GLU 1 0.518 9.512 17.626 6 2HB GLU 1 2HB GLU 1 1.320 9.048 16.123 7 1HG GLU 1 1HG GLU 1 3.548 9.641 17.262 8 2HG GLU 1 2HG GLU 1 2.630 9.820 18.763 9 H ASN 2 H ASN 2 2.331 13.421 15.791 10 HA ASN 2 HA ASN 2 3.935 14.258 14.483 11 1HB ASN 2 1HB ASN 2 5.435 12.927 15.817 12 2HB ASN 2 2HB ASN 2 5.255 11.532 14.752 13 1HD2 ASN 2 1HD2 ASN 2 6.625 11.353 12.995 14 2HD2 ASN 2 2HD2 ASN 2 7.683 12.669 12.485 15 H ARG 3 H ARG 3 2.773 11.154 13.164 16 HA ARG 3 HA ARG 3 2.743 12.349 10.427 17 1HB ARG 3 1HB ARG 3 3.304 9.462 11.186 18 2HB ARG 3 2HB ARG 3 3.205 10.089 9.554 19 1HG ARG 3 1HG ARG 3 5.388 10.640 9.551 20 2HG ARG 3 2HG ARG 3 5.209 11.640 10.985 21 1HD ARG 3 1HD ARG 3 5.658 8.633 10.911 22 2HD ARG 3 2HD ARG 3 6.861 9.852 11.368 23 HE ARG 3 HE ARG 3 4.579 10.195 13.028 24 1HH1 ARG 3 1HH1 ARG 3 7.047 7.699 12.596 25 2HH1 ARG 3 2HH1 ARG 3 6.520 6.832 14.031 26 1HH2 ARG 3 1HH2 ARG 3 4.022 9.127 14.858 27 2HH2 ARG 3 2HH2 ARG 3 4.795 7.605 15.285 28 H GLU 4 H GLU 4 0.918 11.670 9.146 29 HA GLU 4 HA GLU 4 -1.423 10.745 10.587 30 1HB GLU 4 1HB GLU 4 -2.579 10.939 8.561 31 2HB GLU 4 2HB GLU 4 -1.427 12.270 8.575 32 1HG GLU 4 1HG GLU 4 0.025 11.089 6.991 33 2HG GLU 4 2HG GLU 4 -0.929 9.615 7.094 34 H VAL 5 H VAL 5 -2.733 8.930 9.517 35 HA VAL 5 HA VAL 5 -1.294 6.952 8.022 36 HB VAL 5 HB VAL 5 -0.801 6.001 10.118 37 1HG1 VAL 5 1HG1 VAL 5 -2.516 7.120 11.551 38 2HG1 VAL 5 2HG1 VAL 5 -3.756 6.045 10.870 39 3HG1 VAL 5 3HG1 VAL 5 -2.412 5.377 11.814 40 1HG2 VAL 5 1HG2 VAL 5 -1.489 4.423 8.356 41 2HG2 VAL 5 2HG2 VAL 5 -1.854 3.824 9.983 42 3HG2 VAL 5 3HG2 VAL 5 -3.160 4.474 8.973 43 HA PRO 6 HA PRO 6 -5.254 7.912 6.314 44 1HB PRO 6 1HB PRO 6 -5.206 6.549 3.933 45 2HB PRO 6 2HB PRO 6 -4.123 7.928 4.280 46 1HG PRO 6 1HG PRO 6 -3.490 4.977 4.627 47 2HG PRO 6 2HG PRO 6 -2.550 6.188 3.707 48 1HD PRO 6 1HD PRO 6 -1.897 5.573 6.251 49 2HD PRO 6 2HD PRO 6 -1.849 7.279 5.701 50 HA PRO 7 HA PRO 7 -8.042 4.670 7.623 51 1HB PRO 7 1HB PRO 7 -10.252 5.057 6.020 52 2HB PRO 7 2HB PRO 7 -9.798 6.129 7.374 53 1HG PRO 7 1HG PRO 7 -9.158 6.511 4.437 54 2HG PRO 7 2HG PRO 7 -9.872 7.700 5.565 55 1HD PRO 7 1HD PRO 7 -7.231 7.732 5.030 56 2HD PRO 7 2HD PRO 7 -7.791 7.984 6.708 57 H GLY 8 H GLY 8 -7.291 4.996 4.183 58 1HA GLY 8 1HA GLY 8 -7.860 2.496 3.105 59 2HA GLY 8 2HA GLY 8 -6.415 3.449 2.740 60 H PHE 9 H PHE 9 -5.221 3.315 5.427 61 HA PHE 9 HA PHE 9 -3.883 0.749 5.245 62 1HB PHE 9 1HB PHE 9 -2.680 2.631 6.141 63 2HB PHE 9 2HB PHE 9 -3.922 2.918 7.359 64 HD1 PHE 9 1HD PHE 9 -1.685 0.123 6.236 65 HD2 PHE 9 2HD PHE 9 -3.694 2.045 9.521 66 HE1 PHE 9 1HE PHE 9 -0.558 -1.415 7.830 67 HE2 PHE 9 2HE PHE 9 -2.530 0.561 11.112 68 HZ PHE 9 HZ PHE 9 -0.970 -1.188 10.278 69 H THR 10 H THR 10 -6.247 2.103 7.641 70 HA THR 10 HA THR 10 -6.594 -0.213 9.168 71 HB THR 10 HB THR 10 -8.776 1.798 8.471 72 HG1 THR 10 1HG THR 10 -7.829 2.932 10.282 73 1HG2 THR 10 1HG2 THR 10 -8.139 0.238 11.020 74 2HG2 THR 10 2HG2 THR 10 -9.471 1.392 10.808 75 3HG2 THR 10 3HG2 THR 10 -9.471 -0.130 9.902 76 H ALA 11 H ALA 11 -8.368 0.834 6.238 77 HA ALA 11 HA ALA 11 -10.097 -1.423 6.030 78 1HB ALA 11 1HB ALA 11 -10.552 -0.617 3.820 79 2HB ALA 11 2HB ALA 11 -10.349 0.785 4.877 80 3HB ALA 11 3HB ALA 11 -9.036 0.318 3.774 81 H LEU 12 H LEU 12 -6.843 -0.841 4.579 82 HA LEU 12 HA LEU 12 -6.543 -3.315 3.254 83 1HB LEU 12 1HB LEU 12 -5.057 -1.392 3.017 84 2HB LEU 12 2HB LEU 12 -4.376 -1.664 4.613 85 HG LEU 12 HG LEU 12 -4.341 -3.887 2.540 86 1HD1 LEU 12 1HD1 LEU 12 -2.440 -1.545 2.781 87 2HD1 LEU 12 2HD1 LEU 12 -2.089 -3.006 1.839 88 3HD1 LEU 12 3HD1 LEU 12 -3.441 -1.961 1.371 89 1HD2 LEU 12 1HD2 LEU 12 -3.545 -4.535 4.801 90 2HD2 LEU 12 2HD2 LEU 12 -2.178 -4.433 3.703 91 3HD2 LEU 12 3HD2 LEU 12 -2.481 -3.116 4.849 92 H ILE 13 H ILE 13 -5.516 -2.490 6.628 93 HA ILE 13 HA ILE 13 -4.702 -5.083 7.385 94 HB ILE 13 HB ILE 13 -5.879 -2.778 8.962 95 1HG1 ILE 13 1HG1 ILE 13 -3.643 -2.441 7.883 96 2HG1 ILE 13 2HG1 ILE 13 -3.670 -2.278 9.634 97 1HG2 ILE 13 1HG2 ILE 13 -4.779 -5.384 10.069 98 2HG2 ILE 13 2HG2 ILE 13 -4.967 -3.885 11.011 99 3HG2 ILE 13 3HG2 ILE 13 -6.384 -4.678 10.331 100 1HD1 ILE 13 1HD1 ILE 13 -2.646 -4.726 8.120 101 2HD1 ILE 13 2HD1 ILE 13 -1.663 -3.467 8.867 102 3HD1 ILE 13 3HD1 ILE 13 -2.645 -4.519 9.886 103 H LYS 14 H LYS 14 -7.987 -3.652 7.774 104 HA LYS 14 HA LYS 14 -9.233 -5.925 8.875 105 1HB LYS 14 1HB LYS 14 -10.228 -3.680 8.715 106 2HB LYS 14 2HB LYS 14 -10.392 -3.856 6.962 107 1HG LYS 14 1HG LYS 14 -11.929 -5.788 7.294 108 2HG LYS 14 2HG LYS 14 -11.719 -5.646 9.051 109 1HD LYS 14 1HD LYS 14 -12.672 -3.349 8.976 110 2HD LYS 14 2HD LYS 14 -12.855 -3.479 7.215 111 1HE LYS 14 1HE LYS 14 -14.389 -5.418 7.517 112 2HE LYS 14 2HE LYS 14 -14.207 -5.290 9.276 113 1HZ LYS 14 1HZ LYS 14 -16.184 -4.209 8.507 114 2HZ LYS 14 2HZ LYS 14 -15.150 -3.098 9.151 115 3HZ LYS 14 3HZ LYS 14 -15.320 -3.216 7.516 116 H THR 15 H THR 15 -9.059 -5.033 5.392 117 HA THR 15 HA THR 15 -10.237 -7.498 4.501 118 HB THR 15 HB THR 15 -9.373 -6.880 2.251 119 HG1 THR 15 1HG THR 15 -8.445 -4.595 3.665 120 1HG2 THR 15 1HG2 THR 15 -11.598 -6.219 3.102 121 2HG2 THR 15 2HG2 THR 15 -10.902 -4.720 3.753 122 3HG2 THR 15 3HG2 THR 15 -10.913 -5.023 1.999 123 H LEU 16 H LEU 16 -6.860 -6.683 5.135 124 HA LEU 16 HA LEU 16 -5.684 -9.041 4.047 125 1HB LEU 16 1HB LEU 16 -4.536 -6.909 4.833 126 2HB LEU 16 2HB LEU 16 -4.705 -7.468 6.483 127 HG LEU 16 HG LEU 16 -3.379 -9.227 4.386 128 1HD1 LEU 16 1HD1 LEU 16 -2.051 -6.974 5.948 129 2HD1 LEU 16 2HD1 LEU 16 -1.218 -8.189 4.950 130 3HD1 LEU 16 3HD1 LEU 16 -2.308 -7.023 4.190 131 1HD2 LEU 16 1HD2 LEU 16 -2.055 -9.994 6.347 132 2HD2 LEU 16 2HD2 LEU 16 -2.946 -8.876 7.396 133 3HD2 LEU 16 3HD2 LEU 16 -3.778 -10.242 6.632 134 H ARG 17 H ARG 17 -6.657 -8.284 7.433 135 HA ARG 17 HA ARG 17 -6.336 -10.876 8.509 136 1HB ARG 17 1HB ARG 17 -6.714 -9.139 10.033 137 2HB ARG 17 2HB ARG 17 -8.186 -8.574 9.217 138 1HG ARG 17 1HG ARG 17 -9.480 -10.390 9.962 139 2HG ARG 17 2HG ARG 17 -8.054 -11.382 10.293 140 1HD ARG 17 1HD ARG 17 -7.573 -10.200 12.325 141 2HD ARG 17 2HD ARG 17 -8.682 -8.888 11.894 142 HE ARG 17 HE ARG 17 -10.363 -10.048 12.889 143 1HH1 ARG 17 1HH1 ARG 17 -7.990 -12.493 12.001 144 2HH1 ARG 17 2HH1 ARG 17 -9.177 -13.751 11.797 145 1HH2 ARG 17 1HH2 ARG 17 -11.795 -11.773 13.131 146 2HH2 ARG 17 2HH2 ARG 17 -11.246 -13.412 12.851 147 H LYS 18 H LYS 18 -9.284 -9.479 6.951 148 HA LYS 18 HA LYS 18 -10.849 -11.795 7.169 149 1HB LYS 18 1HB LYS 18 -11.643 -9.535 6.484 150 2HB LYS 18 2HB LYS 18 -10.885 -9.754 4.906 151 1HG LYS 18 1HG LYS 18 -13.285 -10.178 4.817 152 2HG LYS 18 2HG LYS 18 -12.393 -11.641 4.403 153 1HD LYS 18 1HD LYS 18 -12.864 -12.653 6.546 154 2HD LYS 18 2HD LYS 18 -13.369 -11.100 7.243 155 1HE LYS 18 1HE LYS 18 -15.322 -12.482 6.812 156 2HE LYS 18 2HE LYS 18 -15.354 -11.070 5.742 157 1HZ LYS 18 1HZ LYS 18 -15.896 -13.121 4.615 158 2HZ LYS 18 2HZ LYS 18 -14.527 -12.457 3.982 159 3HZ LYS 18 3HZ LYS 18 -14.418 -13.757 4.984 160 H CYS 19 H CYS 19 -8.985 -10.821 4.235 161 HA CYS 19 HA CYS 19 -9.286 -13.113 2.690 162 1HB CYS 19 1HB CYS 19 -8.269 -10.992 1.962 163 2HB CYS 19 2HB CYS 19 -6.844 -11.340 2.948 164 H LYS 20 H LYS 20 -6.768 -12.544 5.180 165 HA LYS 20 HA LYS 20 -5.556 -15.179 4.837 166 1HB LYS 20 1HB LYS 20 -5.250 -12.993 6.924 167 2HB LYS 20 2HB LYS 20 -4.263 -14.444 6.887 168 1HG LYS 20 1HG LYS 20 -4.390 -12.324 4.693 169 2HG LYS 20 2HG LYS 20 -3.123 -12.502 5.905 170 1HD LYS 20 1HD LYS 20 -3.748 -14.448 3.638 171 2HD LYS 20 2HD LYS 20 -2.341 -13.397 3.819 172 1HE LYS 20 1HE LYS 20 -1.813 -14.647 5.993 173 2HE LYS 20 2HE LYS 20 -3.041 -15.834 5.506 174 1HZ LYS 20 1HZ LYS 20 -0.637 -15.071 4.009 175 2HZ LYS 20 2HZ LYS 20 -0.880 -16.495 4.805 176 3HZ LYS 20 3HZ LYS 20 -1.780 -16.138 3.468 177 H ILE 21 H ILE 21 -8.410 -14.222 6.477 178 HA ILE 21 HA ILE 21 -9.769 -15.166 7.955 179 HB ILE 21 HB ILE 21 -8.015 -17.649 8.024 180 1HG1 ILE 21 1HG1 ILE 21 -8.651 -17.234 5.689 181 2HG1 ILE 21 2HG1 ILE 21 -9.462 -18.639 6.362 182 1HG2 ILE 21 1HG2 ILE 21 -9.542 -17.598 9.875 183 2HG2 ILE 21 2HG2 ILE 21 -10.900 -17.151 8.827 184 3HG2 ILE 21 3HG2 ILE 21 -10.145 -18.753 8.681 185 1HD1 ILE 21 1HD1 ILE 21 -10.965 -17.306 4.952 186 2HD1 ILE 21 2HD1 ILE 21 -11.557 -17.349 6.618 187 3HD1 ILE 21 3HD1 ILE 21 -10.746 -15.896 5.993 188 H ILE 22 H ILE 22 -6.409 -15.899 8.887 189 HA ILE 22 HA ILE 22 -6.838 -15.138 11.701 190 HB ILE 22 HB ILE 22 -4.311 -15.798 10.139 191 1HG1 ILE 22 1HG1 ILE 22 -5.992 -17.511 12.033 192 2HG1 ILE 22 2HG1 ILE 22 -5.914 -17.696 10.276 193 1HG2 ILE 22 1HG2 ILE 22 -3.243 -16.011 12.354 194 2HG2 ILE 22 2HG2 ILE 22 -3.880 -14.389 12.163 195 3HG2 ILE 22 3HG2 ILE 22 -4.767 -15.567 13.151 196 1HD1 ILE 22 1HD1 ILE 22 -4.504 -19.359 11.206 197 2HD1 ILE 22 2HD1 ILE 22 -3.454 -18.140 10.457 198 3HD1 ILE 22 3HD1 ILE 22 -3.647 -18.199 12.227 199 1H ASN 1 1H ASN 1 13.146 10.336 -5.304 200 2H ASN 1 2H ASN 1 12.815 11.710 -6.152 201 3H ASN 1 3H ASN 1 13.634 10.479 -6.868 202 HA ASN 1 HA ASN 1 11.397 10.529 -7.645 203 1HB ASN 1 1HB ASN 1 12.735 8.415 -7.428 204 2HB ASN 1 2HB ASN 1 11.951 8.102 -5.878 205 1HD2 ASN 1 1HD2 ASN 1 9.828 7.227 -5.928 206 2HD2 ASN 1 2HD2 ASN 1 9.025 6.775 -7.431 207 H LEU 2 H LEU 2 10.858 12.408 -5.844 208 HA LEU 2 HA LEU 2 9.468 11.474 -3.497 209 1HB LEU 2 1HB LEU 2 9.629 14.268 -4.684 210 2HB LEU 2 2HB LEU 2 9.085 13.852 -3.055 211 HG LEU 2 HG LEU 2 11.899 13.427 -4.172 212 1HD1 LEU 2 1HD1 LEU 2 10.821 15.393 -2.111 213 2HD1 LEU 2 2HD1 LEU 2 12.516 15.219 -2.612 214 3HD1 LEU 2 3HD1 LEU 2 11.306 15.792 -3.774 215 1HD2 LEU 2 1HD2 LEU 2 11.459 11.695 -2.499 216 2HD2 LEU 2 2HD2 LEU 2 12.485 12.938 -1.783 217 3HD2 LEU 2 3HD2 LEU 2 10.756 12.896 -1.392 218 H VAL 3 H VAL 3 8.077 13.636 -6.030 219 HA VAL 3 HA VAL 3 5.410 13.116 -5.234 220 HB VAL 3 HB VAL 3 6.115 15.089 -6.479 221 1HG1 VAL 3 1HG1 VAL 3 6.252 13.349 -8.981 222 2HG1 VAL 3 2HG1 VAL 3 6.483 15.098 -8.867 223 3HG1 VAL 3 3HG1 VAL 3 7.669 14.010 -8.133 224 1HG2 VAL 3 1HG2 VAL 3 3.736 14.412 -6.429 225 2HG2 VAL 3 2HG2 VAL 3 4.157 15.274 -7.919 226 3HG2 VAL 3 3HG2 VAL 3 3.956 13.513 -7.944 227 H SER 4 H SER 4 7.423 11.542 -7.725 228 HA SER 4 HA SER 4 5.553 9.669 -8.754 229 1HB SER 4 1HB SER 4 7.796 8.400 -9.125 230 2HB SER 4 2HB SER 4 7.494 9.928 -9.965 231 HG SER 4 HG SER 4 9.577 9.674 -8.834 232 H GLY 5 H GLY 5 8.047 9.247 -6.130 233 1HA GLY 5 1HA GLY 5 7.319 6.784 -5.129 234 2HA GLY 5 2HA GLY 5 7.908 8.121 -4.134 235 H LEU 6 H LEU 6 5.891 9.927 -4.113 236 HA LEU 6 HA LEU 6 3.974 8.963 -2.292 237 1HB LEU 6 1HB LEU 6 4.459 11.279 -2.387 238 2HB LEU 6 2HB LEU 6 4.066 11.388 -4.099 239 HG LEU 6 HG LEU 6 1.680 11.047 -3.650 240 1HD1 LEU 6 1HD1 LEU 6 0.829 11.085 -1.355 241 2HD1 LEU 6 2HD1 LEU 6 1.817 9.643 -1.594 242 3HD1 LEU 6 3HD1 LEU 6 2.488 11.029 -0.706 243 1HD2 LEU 6 1HD2 LEU 6 2.627 13.318 -3.674 244 2HD2 LEU 6 2HD2 LEU 6 1.273 13.193 -2.535 245 3HD2 LEU 6 3HD2 LEU 6 2.943 13.215 -1.927 246 H ILE 7 H ILE 7 3.336 9.726 -5.810 247 HA ILE 7 HA ILE 7 0.701 8.605 -5.608 248 HB ILE 7 HB ILE 7 0.515 8.704 -7.980 249 1HG1 ILE 7 1HG1 ILE 7 3.450 9.461 -8.067 250 2HG1 ILE 7 2HG1 ILE 7 2.763 7.943 -8.664 251 1HG2 ILE 7 1HG2 ILE 7 0.684 11.103 -8.190 252 2HG2 ILE 7 2HG2 ILE 7 0.280 10.727 -6.516 253 3HG2 ILE 7 3HG2 ILE 7 1.940 11.185 -6.938 254 1HD1 ILE 7 1HD1 ILE 7 1.363 9.265 -10.276 255 2HD1 ILE 7 2HD1 ILE 7 2.262 10.722 -9.783 256 3HD1 ILE 7 3HD1 ILE 7 3.115 9.374 -10.544 257 H GLU 8 H GLU 8 3.766 7.076 -6.614 258 HA GLU 8 HA GLU 8 2.779 4.511 -7.315 259 1HB GLU 8 1HB GLU 8 5.362 5.428 -5.995 260 2HB GLU 8 2HB GLU 8 5.065 3.752 -6.468 261 1HG GLU 8 1HG GLU 8 4.820 4.360 -8.804 262 2HG GLU 8 2HG GLU 8 4.947 6.080 -8.439 263 H ALA 9 H ALA 9 3.803 5.711 -4.065 264 HA ALA 9 HA ALA 9 3.147 3.342 -2.648 265 1HB ALA 9 1HB ALA 9 3.290 4.779 -0.653 266 2HB ALA 9 2HB ALA 9 4.630 5.067 -1.778 267 3HB ALA 9 3HB ALA 9 3.290 6.225 -1.693 268 H ARG 10 H ARG 10 1.171 6.316 -3.165 269 HA ARG 10 HA ARG 10 -1.140 5.435 -1.764 270 1HB ARG 10 1HB ARG 10 -0.874 7.743 -2.424 271 2HB ARG 10 2HB ARG 10 -0.786 7.299 -4.131 272 1HG ARG 10 1HG ARG 10 -2.946 8.253 -3.707 273 2HG ARG 10 2HG ARG 10 -3.155 6.551 -4.081 274 1HD ARG 10 1HD ARG 10 -4.615 6.995 -2.296 275 2HD ARG 10 2HD ARG 10 -3.295 6.129 -1.543 276 HE ARG 10 HE ARG 10 -3.741 9.119 -1.535 277 1HH1 ARG 10 1HH1 ARG 10 -2.352 6.354 0.241 278 2HH1 ARG 10 2HH1 ARG 10 -2.184 7.336 1.696 279 1HH2 ARG 10 1HH2 ARG 10 -3.448 10.247 0.418 280 2HH2 ARG 10 2HH2 ARG 10 -2.858 9.346 1.815 281 H LYS 11 H LYS 11 -0.356 5.092 -5.269 282 HA LYS 11 HA LYS 11 -2.659 3.568 -5.983 283 1HB LYS 11 1HB LYS 11 0.131 3.760 -7.165 284 2HB LYS 11 2HB LYS 11 -1.179 2.834 -7.913 285 1HG LYS 11 1HG LYS 11 -2.564 4.790 -8.179 286 2HG LYS 11 2HG LYS 11 -1.445 5.794 -7.246 287 1HD LYS 11 1HD LYS 11 0.328 5.434 -8.936 288 2HD LYS 11 2HD LYS 11 -0.771 4.415 -9.887 289 1HE LYS 11 1HE LYS 11 -2.321 6.336 -10.169 290 2HE LYS 11 2HE LYS 11 -1.253 7.353 -9.184 291 1HZ LYS 11 1HZ LYS 11 0.457 7.039 -10.823 292 2HZ LYS 11 2HZ LYS 11 -0.534 6.095 -11.740 293 3HZ LYS 11 3HZ LYS 11 -0.891 7.687 -11.514 294 H TYR 12 H TYR 12 0.570 2.495 -4.796 295 HA TYR 12 HA TYR 12 0.056 -0.299 -4.988 296 1HB TYR 12 1HB TYR 12 2.290 0.595 -4.654 297 2HB TYR 12 2HB TYR 12 1.843 1.239 -3.077 298 HD1 TYR 12 1HD TYR 12 2.365 -1.902 -5.018 299 HD2 TYR 12 2HD TYR 12 1.701 -0.189 -1.123 300 HE1 TYR 12 1HE TYR 12 2.733 -4.128 -3.966 301 HE2 TYR 12 2HE TYR 12 2.000 -2.419 -0.089 302 HH TYR 12 HH TYR 12 2.403 -4.635 -0.459 303 H LEU 13 H LEU 13 -0.314 1.882 -2.133 304 HA LEU 13 HA LEU 13 -1.521 0.121 -0.325 305 1HB LEU 13 1HB LEU 13 -0.887 2.379 0.289 306 2HB LEU 13 2HB LEU 13 -1.994 3.072 -0.886 307 HG LEU 13 HG LEU 13 -3.942 2.196 0.424 308 1HD1 LEU 13 1HD1 LEU 13 -3.573 1.445 2.733 309 2HD1 LEU 13 2HD1 LEU 13 -2.790 0.345 1.593 310 3HD1 LEU 13 3HD1 LEU 13 -1.815 1.522 2.506 311 1HD2 LEU 13 1HD2 LEU 13 -3.728 3.849 2.244 312 2HD2 LEU 13 2HD2 LEU 13 -1.990 4.005 1.898 313 3HD2 LEU 13 3HD2 LEU 13 -3.196 4.490 0.681 314 H GLU 14 H GLU 14 -3.199 2.206 -2.703 315 HA GLU 14 HA GLU 14 -5.819 1.312 -2.328 316 1HB GLU 14 1HB GLU 14 -5.035 3.289 -3.642 317 2HB GLU 14 2HB GLU 14 -4.499 2.199 -4.926 318 1HG GLU 14 1HG GLU 14 -6.910 1.345 -5.062 319 2HG GLU 14 2HG GLU 14 -7.353 2.632 -3.934 320 H GLN 15 H GLN 15 -3.509 0.076 -4.829 321 HA GLN 15 HA GLN 15 -5.265 -1.936 -5.835 322 1HB GLN 15 1HB GLN 15 -2.257 -1.602 -5.904 323 2HB GLN 15 2HB GLN 15 -3.096 -2.907 -6.755 324 1HG GLN 15 1HG GLN 15 -4.337 -1.402 -8.141 325 2HG GLN 15 2HG GLN 15 -3.848 0.013 -7.200 326 1HE2 GLN 15 1HE2 GLN 15 -1.406 0.284 -7.004 327 2HE2 GLN 15 2HE2 GLN 15 -0.492 0.073 -8.513 328 H LEU 16 H LEU 16 -2.669 -2.169 -3.366 329 HA LEU 16 HA LEU 16 -2.852 -4.969 -2.968 330 1HB LEU 16 1HB LEU 16 -1.081 -3.212 -2.230 331 2HB LEU 16 2HB LEU 16 -2.096 -2.954 -0.818 332 HG LEU 16 HG LEU 16 -0.263 -4.403 -0.315 333 1HD1 LEU 16 1HD1 LEU 16 -2.473 -5.008 0.713 334 2HD1 LEU 16 2HD1 LEU 16 -2.643 -6.270 -0.532 335 3HD1 LEU 16 3HD1 LEU 16 -1.302 -6.338 0.623 336 1HD2 LEU 16 1HD2 LEU 16 0.171 -5.199 -2.657 337 2HD2 LEU 16 2HD2 LEU 16 0.268 -6.469 -1.424 338 3HD2 LEU 16 3HD2 LEU 16 -1.154 -6.359 -2.468 339 H HIS 17 H HIS 17 -4.426 -2.267 -1.148 340 HA HIS 17 HA HIS 17 -6.098 -3.866 0.503 341 1HB HIS 17 1HB HIS 17 -5.809 -1.487 0.872 342 2HB HIS 17 2HB HIS 17 -6.497 -1.115 -0.707 343 HD1 HIS 17 1HD HIS 17 -8.272 -3.643 1.657 344 HD2 HIS 17 2HD HIS 17 -8.553 0.278 0.104 345 HE1 HIS 17 1HE HIS 17 -10.597 -2.776 2.220 346 H ARG 18 H ARG 18 -6.814 -2.474 -2.758 347 HA ARG 18 HA ARG 18 -9.398 -3.499 -3.066 348 1HB ARG 18 1HB ARG 18 -8.384 -1.848 -4.543 349 2HB ARG 18 2HB ARG 18 -7.262 -3.058 -5.184 350 1HG ARG 18 1HG ARG 18 -9.131 -4.360 -6.118 351 2HG ARG 18 2HG ARG 18 -10.301 -3.226 -5.412 352 1HD ARG 18 1HD ARG 18 -8.161 -2.515 -7.462 353 2HD ARG 18 2HD ARG 18 -9.843 -2.858 -7.846 354 HE ARG 18 HE ARG 18 -10.544 -0.960 -6.453 355 1HH1 ARG 18 1HH1 ARG 18 -7.181 -0.807 -7.648 356 2HH1 ARG 18 2HH1 ARG 18 -7.166 0.944 -7.520 357 1HH2 ARG 18 1HH2 ARG 18 -10.409 1.270 -6.368 358 2HH2 ARG 18 2HH2 ARG 18 -8.917 2.071 -6.838 359 H LYS 19 H LYS 19 -6.308 -5.120 -3.993 360 HA LYS 19 HA LYS 19 -7.426 -7.545 -4.941 361 1HB LYS 19 1HB LYS 19 -5.085 -6.910 -5.237 362 2HB LYS 19 2HB LYS 19 -4.811 -7.017 -3.491 363 1HG LYS 19 1HG LYS 19 -5.291 -9.455 -3.545 364 2HG LYS 19 2HG LYS 19 -5.709 -9.341 -5.255 365 1HD LYS 19 1HD LYS 19 -3.440 -10.258 -4.917 366 2HD LYS 19 2HD LYS 19 -3.423 -8.762 -5.856 367 1HE LYS 19 1HE LYS 19 -1.588 -8.879 -4.175 368 2HE LYS 19 2HE LYS 19 -2.639 -7.481 -3.943 369 1HZ LYS 19 1HZ LYS 19 -2.139 -8.599 -1.884 370 2HZ LYS 19 2HZ LYS 19 -3.752 -8.679 -2.199 371 3HZ LYS 19 3HZ LYS 19 -2.801 -10.004 -2.435 372 H LEU 20 H LEU 20 -6.292 -6.744 -1.599 373 HA LEU 20 HA LEU 20 -7.173 -9.232 -0.463 374 1HB LEU 20 1HB LEU 20 -6.683 -6.521 0.803 375 2HB LEU 20 2HB LEU 20 -6.934 -8.020 1.708 376 HG LEU 20 HG LEU 20 -4.664 -7.633 -0.304 377 1HD1 LEU 20 1HD1 LEU 20 -4.751 -7.365 2.710 378 2HD1 LEU 20 2HD1 LEU 20 -3.260 -7.388 1.752 379 3HD1 LEU 20 3HD1 LEU 20 -4.437 -6.068 1.550 380 1HD2 LEU 20 1HD2 LEU 20 -3.686 -9.589 0.901 381 2HD2 LEU 20 2HD2 LEU 20 -5.206 -9.778 1.796 382 3HD2 LEU 20 3HD2 LEU 20 -5.163 -10.009 0.034 383 H LYS 21 H LYS 21 -8.961 -6.223 -1.046 384 HA LYS 21 HA LYS 21 -11.324 -7.041 0.389 385 1HB LYS 21 1HB LYS 21 -10.761 -4.716 -0.372 386 2HB LYS 21 2HB LYS 21 -11.126 -5.201 -2.031 387 1HG LYS 21 1HG LYS 21 -13.447 -5.759 -1.377 388 2HG LYS 21 2HG LYS 21 -13.076 -5.351 0.311 389 1HD LYS 21 1HD LYS 21 -12.516 -3.018 -0.377 390 2HD LYS 21 2HD LYS 21 -12.900 -3.428 -2.060 391 1HE LYS 21 1HE LYS 21 -15.237 -3.973 -1.397 392 2HE LYS 21 2HE LYS 21 -14.853 -3.577 0.290 393 1HZ LYS 21 1HZ LYS 21 -14.717 -1.714 -1.978 394 2HZ LYS 21 2HZ LYS 21 -15.899 -1.755 -0.830 395 3HZ LYS 21 3HZ LYS 21 -14.357 -1.348 -0.412 396 H ASN 22 H ASN 22 -10.441 -7.244 -3.082 397 HA ASN 22 HA ASN 22 -12.741 -8.709 -3.939 398 1HB ASN 22 1HB ASN 22 -9.964 -8.320 -5.103 399 2HB ASN 22 2HB ASN 22 -11.149 -9.388 -5.862 400 1HD2 ASN 22 1HD2 ASN 22 -10.699 -5.975 -4.810 401 2HD2 ASN 22 2HD2 ASN 22 -11.869 -5.359 -5.986 402 H CYS 23 H CYS 23 -9.667 -9.889 -2.591 403 HA CYS 23 HA CYS 23 -9.939 -12.655 -2.874 404 1HB CYS 23 1HB CYS 23 -8.043 -11.580 -1.787 405 2HB CYS 23 2HB CYS 23 -9.084 -11.034 -0.470 406 H LYS 24 H LYS 24 -11.742 -10.527 -0.657 407 HA LYS 24 HA LYS 24 -13.673 -10.689 0.378 408 1HB LYS 24 1HB LYS 24 -14.291 -11.257 -1.937 409 2HB LYS 24 2HB LYS 24 -14.249 -12.980 -1.531 410 1HG LYS 24 1HG LYS 24 -16.036 -12.629 0.161 411 2HG LYS 24 2HG LYS 24 -16.030 -10.889 -0.198 412 1HD LYS 24 1HD LYS 24 -16.668 -11.375 -2.553 413 2HD LYS 24 2HD LYS 24 -16.667 -13.114 -2.196 414 1HE LYS 24 1HE LYS 24 -18.456 -12.765 -0.495 415 2HE LYS 24 2HE LYS 24 -18.454 -11.027 -0.848 416 1HZ LYS 24 1HZ LYS 24 -19.101 -13.160 -2.763 417 2HZ LYS 24 2HZ LYS 24 -20.186 -12.167 -2.020 418 3HZ LYS 24 3HZ LYS 24 -19.099 -11.546 -3.091 419 H VAL 25 H VAL 25 -12.671 -14.122 0.063 420 HA VAL 25 HA VAL 25 -14.247 -15.159 2.133 421 HB VAL 25 HB VAL 25 -12.724 -17.065 2.157 422 1HG1 VAL 25 1HG1 VAL 25 -14.384 -16.813 0.328 423 2HG1 VAL 25 2HG1 VAL 25 -13.143 -16.042 -0.684 424 3HG1 VAL 25 3HG1 VAL 25 -12.946 -17.724 -0.167 425 1HG2 VAL 25 1HG2 VAL 25 -10.710 -17.128 0.731 426 2HG2 VAL 25 2HG2 VAL 25 -10.877 -15.398 0.389 427 3HG2 VAL 25 3HG2 VAL 25 -10.529 -15.954 2.038 428 1H GLU 1 1H GLU 1 2.412 17.172 8.621 429 2H GLU 1 2H GLU 1 3.608 16.062 8.360 430 3H GLU 1 3H GLU 1 3.496 16.822 9.812 431 HA GLU 1 HA GLU 1 2.758 14.612 9.970 432 1HB GLU 1 1HB GLU 1 0.786 14.956 11.200 433 2HB GLU 1 2HB GLU 1 1.812 16.369 11.429 434 1HG GLU 1 1HG GLU 1 -0.671 16.203 9.635 435 2HG GLU 1 2HG GLU 1 -0.558 16.980 11.207 436 H ASN 2 H ASN 2 0.859 16.403 7.562 437 HA ASN 2 HA ASN 2 -0.724 14.132 6.804 438 1HB ASN 2 1HB ASN 2 -1.393 16.517 6.615 439 2HB ASN 2 2HB ASN 2 -0.272 16.713 5.264 440 1HD2 ASN 2 1HD2 ASN 2 -0.618 15.040 3.436 441 2HD2 ASN 2 2HD2 ASN 2 -2.301 14.646 3.044 442 H ARG 3 H ARG 3 1.288 12.731 6.661 443 HA ARG 3 HA ARG 3 3.038 12.906 4.408 444 1HB ARG 3 1HB ARG 3 2.384 10.303 5.797 445 2HB ARG 3 2HB ARG 3 3.892 10.804 5.034 446 1HG ARG 3 1HG ARG 3 2.745 11.697 7.694 447 2HG ARG 3 2HG ARG 3 4.201 10.767 7.396 448 1HD ARG 3 1HD ARG 3 5.348 12.665 6.453 449 2HD ARG 3 2HD ARG 3 3.880 13.665 6.506 450 HE ARG 3 HE ARG 3 4.229 12.801 9.119 451 1HH1 ARG 3 1HH1 ARG 3 6.157 14.684 6.860 452 2HH1 ARG 3 2HH1 ARG 3 6.871 15.676 8.109 453 1HH2 ARG 3 1HH2 ARG 3 5.049 14.177 10.723 454 2HH2 ARG 3 2HH2 ARG 3 6.289 15.332 10.308 455 H GLU 4 H GLU 4 -0.240 12.080 4.283 456 HA GLU 4 HA GLU 4 -1.623 11.071 2.867 457 1HB GLU 4 1HB GLU 4 0.739 11.212 0.972 458 2HB GLU 4 2HB GLU 4 -0.811 10.546 0.492 459 1HG GLU 4 1HG GLU 4 -0.420 13.363 1.603 460 2HG GLU 4 2HG GLU 4 -0.520 12.956 -0.112 461 H VAL 5 H VAL 5 1.477 9.320 2.601 462 HA VAL 5 HA VAL 5 0.221 6.974 3.828 463 HB VAL 5 HB VAL 5 -0.191 6.399 1.618 464 1HG1 VAL 5 1HG1 VAL 5 1.300 7.974 0.414 465 2HG1 VAL 5 2HG1 VAL 5 2.691 6.945 0.822 466 3HG1 VAL 5 3HG1 VAL 5 1.376 6.323 -0.194 467 1HG2 VAL 5 1HG2 VAL 5 2.358 4.935 2.382 468 2HG2 VAL 5 2HG2 VAL 5 0.738 4.610 3.045 469 3HG2 VAL 5 3HG2 VAL 5 1.059 4.360 1.320 470 HA PRO 6 HA PRO 6 4.158 8.000 5.668 471 1HB PRO 6 1HB PRO 6 4.053 6.574 7.981 472 2HB PRO 6 2HB PRO 6 3.009 7.992 7.671 473 1HG PRO 6 1HG PRO 6 2.289 5.070 7.263 474 2HG PRO 6 2HG PRO 6 1.359 6.299 8.164 475 1HD PRO 6 1HD PRO 6 0.787 5.698 5.594 476 2HD PRO 6 2HD PRO 6 0.697 7.393 6.175 477 HA PRO 7 HA PRO 7 6.919 4.693 4.210 478 1HB PRO 7 1HB PRO 7 8.521 5.689 6.588 479 2HB PRO 7 2HB PRO 7 9.117 5.208 4.971 480 1HG PRO 7 1HG PRO 7 8.760 7.830 5.514 481 2HG PRO 7 2HG PRO 7 8.144 7.170 3.970 482 1HD PRO 7 1HD PRO 7 6.585 7.773 6.490 483 2HD PRO 7 2HD PRO 7 6.173 8.098 4.777 484 H GLY 8 H GLY 8 6.152 5.002 7.670 485 1HA GLY 8 1HA GLY 8 6.715 2.511 8.741 486 2HA GLY 8 2HA GLY 8 5.283 3.469 9.139 487 H PHE 9 H PHE 9 3.991 3.315 6.532 488 HA PHE 9 HA PHE 9 2.646 0.765 6.754 489 1HB PHE 9 1HB PHE 9 1.422 2.632 5.887 490 2HB PHE 9 2HB PHE 9 2.647 2.964 4.665 491 HD1 PHE 9 1HD PHE 9 2.191 2.321 2.474 492 HD2 PHE 9 2HD PHE 9 0.631 -0.033 5.724 493 HE1 PHE 9 1HE PHE 9 1.069 0.835 0.854 494 HE2 PHE 9 2HE PHE 9 -0.453 -1.555 4.101 495 HZ PHE 9 HZ PHE 9 -0.227 -1.132 1.652 496 H THR 10 H THR 10 4.951 2.081 4.288 497 HA THR 10 HA THR 10 5.245 -0.250 2.765 498 HB THR 10 HB THR 10 7.451 1.764 3.371 499 HG1 THR 10 1HG THR 10 6.444 2.898 1.597 500 1HG2 THR 10 1HG2 THR 10 6.711 0.199 0.854 501 2HG2 THR 10 2HG2 THR 10 8.059 1.343 1.015 502 3HG2 THR 10 3HG2 THR 10 8.078 -0.177 1.927 503 H ALA 11 H ALA 11 7.078 0.827 5.646 504 HA ALA 11 HA ALA 11 8.836 -1.406 5.835 505 1HB ALA 11 1HB ALA 11 7.782 0.298 8.120 506 2HB ALA 11 2HB ALA 11 9.318 -0.598 8.032 507 3HB ALA 11 3HB ALA 11 9.058 0.807 6.994 508 H LEU 12 H LEU 12 5.604 -0.873 7.356 509 HA LEU 12 HA LEU 12 5.356 -3.369 8.651 510 1HB LEU 12 1HB LEU 12 3.845 -1.512 8.990 511 2HB LEU 12 2HB LEU 12 3.160 -1.687 7.381 512 HG LEU 12 HG LEU 12 3.155 -4.086 9.229 513 1HD1 LEU 12 1HD1 LEU 12 2.337 -2.327 10.674 514 2HD1 LEU 12 2HD1 LEU 12 1.259 -1.727 9.392 515 3HD1 LEU 12 3HD1 LEU 12 0.960 -3.304 10.147 516 1HD2 LEU 12 1HD2 LEU 12 1.207 -3.031 7.118 517 2HD2 LEU 12 2HD2 LEU 12 2.263 -4.445 6.947 518 3HD2 LEU 12 3HD2 LEU 12 0.943 -4.477 8.108 519 H ILE 13 H ILE 13 4.258 -2.521 5.306 520 HA ILE 13 HA ILE 13 3.462 -5.105 4.517 521 HB ILE 13 HB ILE 13 4.626 -2.763 2.992 522 1HG1 ILE 13 1HG1 ILE 13 2.360 -2.542 4.061 523 2HG1 ILE 13 2HG1 ILE 13 2.431 -2.266 2.324 524 1HG2 ILE 13 1HG2 ILE 13 3.800 -3.820 0.903 525 2HG2 ILE 13 2HG2 ILE 13 5.206 -4.619 1.588 526 3HG2 ILE 13 3HG2 ILE 13 3.604 -5.354 1.785 527 1HD1 ILE 13 1HD1 ILE 13 1.459 -4.493 1.889 528 2HD1 ILE 13 2HD1 ILE 13 1.436 -4.843 3.632 529 3HD1 ILE 13 3HD1 ILE 13 0.431 -3.553 2.968 530 H LYS 14 H LYS 14 6.727 -3.660 4.059 531 HA LYS 14 HA LYS 14 7.977 -5.935 2.937 532 1HB LYS 14 1HB LYS 14 9.031 -3.701 4.708 533 2HB LYS 14 2HB LYS 14 10.072 -4.945 3.996 534 1HG LYS 14 1HG LYS 14 9.459 -4.301 1.738 535 2HG LYS 14 2HG LYS 14 8.202 -3.213 2.329 536 1HD LYS 14 1HD LYS 14 10.122 -1.907 1.658 537 2HD LYS 14 2HD LYS 14 9.905 -1.775 3.409 538 1HE LYS 14 1HE LYS 14 11.738 -3.390 3.785 539 2HE LYS 14 2HE LYS 14 11.880 -3.665 2.036 540 1HZ LYS 14 1HZ LYS 14 13.518 -2.136 2.844 541 2HZ LYS 14 2HZ LYS 14 12.500 -1.371 1.799 542 3HZ LYS 14 3HZ LYS 14 12.356 -1.119 3.420 543 H THR 15 H THR 15 7.770 -5.048 6.420 544 HA THR 15 HA THR 15 9.013 -7.510 7.259 545 HB THR 15 HB THR 15 8.261 -6.912 9.539 546 HG1 THR 15 1HG THR 15 7.246 -4.632 8.172 547 1HG2 THR 15 1HG2 THR 15 9.692 -4.750 7.933 548 2HG2 THR 15 2HG2 THR 15 9.809 -5.026 9.681 549 3HG2 THR 15 3HG2 THR 15 10.433 -6.236 8.562 550 H LEU 16 H LEU 16 5.627 -6.738 6.678 551 HA LEU 16 HA LEU 16 4.477 -9.102 7.788 552 1HB LEU 16 1HB LEU 16 3.360 -6.941 7.064 553 2HB LEU 16 2HB LEU 16 3.482 -7.476 5.400 554 HG LEU 16 HG LEU 16 2.185 -9.328 7.401 555 1HD1 LEU 16 1HD1 LEU 16 0.833 -6.828 6.304 556 2HD1 LEU 16 2HD1 LEU 16 0.036 -8.148 7.189 557 3HD1 LEU 16 3HD1 LEU 16 1.235 -7.138 8.006 558 1HD2 LEU 16 1HD2 LEU 16 2.409 -9.908 4.953 559 2HD2 LEU 16 2HD2 LEU 16 0.716 -9.795 5.469 560 3HD2 LEU 16 3HD2 LEU 16 1.455 -8.466 4.556 561 H ARG 17 H ARG 17 5.718 -8.347 4.522 562 HA ARG 17 HA ARG 17 5.413 -11.016 3.492 563 1HB ARG 17 1HB ARG 17 5.609 -9.185 2.006 564 2HB ARG 17 2HB ARG 17 7.186 -8.702 2.643 565 1HG ARG 17 1HG ARG 17 8.316 -10.468 1.628 566 2HG ARG 17 2HG ARG 17 6.889 -11.515 1.556 567 1HD ARG 17 1HD ARG 17 7.093 -8.963 -0.069 568 2HD ARG 17 2HD ARG 17 7.665 -10.538 -0.664 569 HE ARG 17 HE ARG 17 5.127 -11.100 0.217 570 1HH1 ARG 17 1HH1 ARG 17 6.418 -8.805 -2.122 571 2HH1 ARG 17 2HH1 ARG 17 5.019 -8.883 -3.167 572 1HH2 ARG 17 1HH2 ARG 17 3.373 -11.283 -1.188 573 2HH2 ARG 17 2HH2 ARG 17 3.273 -10.279 -2.618 574 H LYS 18 H LYS 18 8.276 -9.421 5.052 575 HA LYS 18 HA LYS 18 9.914 -11.763 4.868 576 1HB LYS 18 1HB LYS 18 10.035 -9.399 6.750 577 2HB LYS 18 2HB LYS 18 11.261 -10.672 6.683 578 1HG LYS 18 1HG LYS 18 11.742 -10.224 4.351 579 2HG LYS 18 2HG LYS 18 10.426 -9.045 4.247 580 1HD LYS 18 1HD LYS 18 11.562 -7.570 5.860 581 2HD LYS 18 2HD LYS 18 12.833 -8.780 6.104 582 1HE LYS 18 1HE LYS 18 13.630 -7.035 4.576 583 2HE LYS 18 2HE LYS 18 13.512 -8.583 3.725 584 1HZ LYS 18 1HZ LYS 18 11.431 -7.856 2.809 585 2HZ LYS 18 2HZ LYS 18 11.513 -6.430 3.628 586 3HZ LYS 18 3HZ LYS 18 12.615 -6.771 2.448 587 H CYS 19 H CYS 19 7.525 -10.863 7.350 588 HA CYS 19 HA CYS 19 8.027 -13.223 8.981 589 1HB CYS 19 1HB CYS 19 7.061 -11.092 9.812 590 2HB CYS 19 2HB CYS 19 5.622 -11.395 8.838 591 H LYS 20 H LYS 20 6.981 -13.091 5.850 592 HA LYS 20 HA LYS 20 6.060 -14.534 4.444 593 1HB LYS 20 1HB LYS 20 6.146 -16.566 6.698 594 2HB LYS 20 2HB LYS 20 6.083 -16.890 4.967 595 1HG LYS 20 1HG LYS 20 8.391 -15.553 6.447 596 2HG LYS 20 2HG LYS 20 8.337 -17.219 5.876 597 1HD LYS 20 1HD LYS 20 8.040 -16.349 3.516 598 2HD LYS 20 2HD LYS 20 8.309 -14.709 4.131 599 1HE LYS 20 1HE LYS 20 10.294 -17.017 4.347 600 2HE LYS 20 2HE LYS 20 10.367 -15.684 3.181 601 1HZ LYS 20 1HZ LYS 20 10.562 -15.454 6.101 602 2HZ LYS 20 2HZ LYS 20 11.774 -15.222 5.011 603 3HZ LYS 20 3HZ LYS 20 10.499 -14.173 5.081 604 H ILE 21 H ILE 21 4.264 -12.808 5.909 605 HA ILE 21 HA ILE 21 1.791 -14.443 6.123 606 HB ILE 21 HB ILE 21 2.209 -11.491 6.546 607 1HG1 ILE 21 1HG1 ILE 21 3.630 -12.582 8.125 608 2HG1 ILE 21 2HG1 ILE 21 2.213 -11.959 8.954 609 1HG2 ILE 21 1HG2 ILE 21 -0.140 -12.012 6.168 610 2HG2 ILE 21 2HG2 ILE 21 -0.073 -13.346 7.331 611 3HG2 ILE 21 3HG2 ILE 21 0.108 -11.668 7.881 612 1HD1 ILE 21 1HD1 ILE 21 1.237 -14.267 8.992 613 2HD1 ILE 21 2HD1 ILE 21 2.710 -14.876 8.199 614 3HD1 ILE 21 3HD1 ILE 21 2.803 -14.159 9.809 615 H ILE 22 H ILE 22 3.300 -12.207 3.836 616 HA ILE 22 HA ILE 22 1.201 -12.931 1.892 617 HB ILE 22 HB ILE 22 0.740 -10.627 3.028 618 1HG1 ILE 22 1HG1 ILE 22 0.039 -9.551 0.899 619 2HG1 ILE 22 2HG1 ILE 22 0.814 -10.853 -0.007 620 1HG2 ILE 22 1HG2 ILE 22 1.921 -8.711 2.179 621 2HG2 ILE 22 2HG2 ILE 22 3.148 -9.837 2.786 622 3HG2 ILE 22 3HG2 ILE 22 2.857 -9.686 1.044 623 1HD1 ILE 22 1HD1 ILE 22 -1.648 -11.144 0.298 624 2HD1 ILE 22 2HD1 ILE 22 -0.753 -12.489 1.008 625 3HD1 ILE 22 3HD1 ILE 22 -1.417 -11.215 2.054 626 1H ASN 1 1H ASN 1 -13.407 9.000 16.886 627 2H ASN 1 2H ASN 1 -14.684 10.036 16.994 628 3H ASN 1 3H ASN 1 -13.813 9.944 15.599 629 HA ASN 1 HA ASN 1 -13.260 11.923 16.787 630 1HB ASN 1 1HB ASN 1 -13.816 11.275 19.024 631 2HB ASN 1 2HB ASN 1 -12.628 9.960 19.000 632 1HD2 ASN 1 1HD2 ASN 1 -11.718 10.923 20.990 633 2HD2 ASN 1 2HD2 ASN 1 -10.481 12.153 20.719 634 H LEU 2 H LEU 2 -11.687 12.486 15.414 635 HA LEU 2 HA LEU 2 -9.504 10.938 14.562 636 1HB LEU 2 1HB LEU 2 -10.342 12.948 13.412 637 2HB LEU 2 2HB LEU 2 -9.808 13.958 14.761 638 HG LEU 2 HG LEU 2 -7.433 13.320 14.281 639 1HD1 LEU 2 1HD1 LEU 2 -7.755 11.129 13.179 640 2HD1 LEU 2 2HD1 LEU 2 -8.650 11.911 11.859 641 3HD1 LEU 2 3HD1 LEU 2 -6.923 12.244 12.092 642 1HD2 LEU 2 1HD2 LEU 2 -7.234 14.663 12.236 643 2HD2 LEU 2 2HD2 LEU 2 -8.970 14.461 11.913 644 3HD2 LEU 2 3HD2 LEU 2 -8.426 15.370 13.341 645 H VAL 3 H VAL 3 -9.665 13.296 17.284 646 HA VAL 3 HA VAL 3 -6.847 12.793 17.990 647 HB VAL 3 HB VAL 3 -7.557 15.035 18.086 648 1HG1 VAL 3 1HG1 VAL 3 -9.103 15.925 19.778 649 2HG1 VAL 3 2HG1 VAL 3 -9.923 14.950 18.563 650 3HG1 VAL 3 3HG1 VAL 3 -9.627 14.288 20.188 651 1HG2 VAL 3 1HG2 VAL 3 -5.841 14.209 19.673 652 2HG2 VAL 3 2HG2 VAL 3 -6.715 15.635 20.254 653 3HG2 VAL 3 3HG2 VAL 3 -7.093 14.041 20.922 654 H SER 4 H SER 4 -7.452 10.600 17.986 655 HA SER 4 HA SER 4 -7.191 9.202 20.373 656 1HB SER 4 1HB SER 4 -9.427 9.791 21.082 657 2HB SER 4 2HB SER 4 -10.098 9.384 19.488 658 HG SER 4 HG SER 4 -8.880 7.575 21.325 659 H GLY 5 H GLY 5 -9.275 8.871 17.445 660 1HA GLY 5 1HA GLY 5 -8.512 6.327 16.583 661 2HA GLY 5 2HA GLY 5 -9.044 7.652 15.535 662 H LEU 6 H LEU 6 -7.003 9.495 15.694 663 HA LEU 6 HA LEU 6 -5.028 8.522 13.947 664 1HB LEU 6 1HB LEU 6 -5.536 10.884 14.166 665 2HB LEU 6 2HB LEU 6 -5.033 10.890 15.859 666 HG LEU 6 HG LEU 6 -2.688 10.460 15.198 667 1HD1 LEU 6 1HD1 LEU 6 -3.730 10.689 12.336 668 2HD1 LEU 6 2HD1 LEU 6 -2.024 10.652 12.837 669 3HD1 LEU 6 3HD1 LEU 6 -3.036 9.227 13.073 670 1HD2 LEU 6 1HD2 LEU 6 -2.268 12.666 14.204 671 2HD2 LEU 6 2HD2 LEU 6 -3.981 12.807 13.755 672 3HD2 LEU 6 3HD2 LEU 6 -3.509 12.763 15.466 673 H ILE 7 H ILE 7 -4.536 9.323 17.428 674 HA ILE 7 HA ILE 7 -1.919 8.229 17.518 675 HB ILE 7 HB ILE 7 -2.089 8.357 19.946 676 1HG1 ILE 7 1HG1 ILE 7 -4.972 9.255 19.521 677 2HG1 ILE 7 2HG1 ILE 7 -4.476 7.714 20.249 678 1HG2 ILE 7 1HG2 ILE 7 -1.557 10.322 18.471 679 2HG2 ILE 7 2HG2 ILE 7 -3.252 10.828 18.591 680 3HG2 ILE 7 3HG2 ILE 7 -2.222 10.772 20.037 681 1HD1 ILE 7 1HD1 ILE 7 -5.047 9.201 22.020 682 2HD1 ILE 7 2HD1 ILE 7 -3.286 8.987 22.045 683 3HD1 ILE 7 3HD1 ILE 7 -4.003 10.483 21.396 684 H GLU 8 H GLU 8 -5.053 6.674 18.323 685 HA GLU 8 HA GLU 8 -4.035 4.173 19.164 686 1HB GLU 8 1HB GLU 8 -6.365 4.919 19.391 687 2HB GLU 8 2HB GLU 8 -6.584 4.854 17.636 688 1HG GLU 8 1HG GLU 8 -6.170 2.395 17.674 689 2HG GLU 8 2HG GLU 8 -5.899 2.470 19.423 690 H ALA 9 H ALA 9 -5.022 5.179 15.839 691 HA ALA 9 HA ALA 9 -4.272 2.781 14.537 692 1HB ALA 9 1HB ALA 9 -4.414 5.616 13.441 693 2HB ALA 9 2HB ALA 9 -4.414 4.112 12.485 694 3HB ALA 9 3HB ALA 9 -5.764 4.470 13.576 695 H ARG 10 H ARG 10 -2.367 5.793 15.042 696 HA ARG 10 HA ARG 10 0.023 4.924 13.732 697 1HB ARG 10 1HB ARG 10 -0.502 6.862 16.019 698 2HB ARG 10 2HB ARG 10 1.102 6.605 15.354 699 1HG ARG 10 1HG ARG 10 -1.332 7.617 13.810 700 2HG ARG 10 2HG ARG 10 0.020 8.597 14.363 701 1HD ARG 10 1HD ARG 10 0.013 6.490 12.191 702 2HD ARG 10 2HD ARG 10 0.347 8.214 12.063 703 HE ARG 10 HE ARG 10 2.255 7.053 13.835 704 1HH1 ARG 10 1HH1 ARG 10 1.540 7.361 10.390 705 2HH1 ARG 10 2HH1 ARG 10 3.022 6.568 9.907 706 1HH2 ARG 10 1HH2 ARG 10 4.185 6.117 13.202 707 2HH2 ARG 10 2HH2 ARG 10 4.567 5.925 11.506 708 H LYS 11 H LYS 11 -0.817 4.704 17.239 709 HA LYS 11 HA LYS 11 1.558 3.292 17.948 710 1HB LYS 11 1HB LYS 11 -1.193 3.403 19.230 711 2HB LYS 11 2HB LYS 11 0.202 2.578 19.952 712 1HG LYS 11 1HG LYS 11 1.512 4.664 19.917 713 2HG LYS 11 2HG LYS 11 0.159 5.534 19.185 714 1HD LYS 11 1HD LYS 11 -1.261 4.887 21.181 715 2HD LYS 11 2HD LYS 11 0.194 4.218 21.940 716 1HE LYS 11 1HE LYS 11 -0.256 7.124 21.088 717 2HE LYS 11 2HE LYS 11 -0.243 6.505 22.748 718 1HZ LYS 11 1HZ LYS 11 1.830 7.484 22.240 719 2HZ LYS 11 2HZ LYS 11 2.068 5.856 22.359 720 3HZ LYS 11 3HZ LYS 11 2.017 6.584 20.876 721 H TYR 12 H TYR 12 -1.680 2.027 16.978 722 HA TYR 12 HA TYR 12 -1.051 -0.727 17.112 723 1HB TYR 12 1HB TYR 12 -3.312 0.036 16.781 724 2HB TYR 12 2HB TYR 12 -2.895 0.806 15.254 725 HD1 TYR 12 1HD TYR 12 -3.190 -2.511 16.960 726 HD2 TYR 12 2HD TYR 12 -2.778 -0.444 13.204 727 HE1 TYR 12 1HE TYR 12 -3.467 -4.660 15.735 728 HE2 TYR 12 2HE TYR 12 -2.999 -2.595 11.994 729 HH TYR 12 HH TYR 12 -3.304 -4.842 12.182 730 H LEU 13 H LEU 13 -0.803 1.408 14.211 731 HA LEU 13 HA LEU 13 0.419 -0.314 12.396 732 1HB LEU 13 1HB LEU 13 -0.292 1.836 11.702 733 2HB LEU 13 2HB LEU 13 0.658 2.652 12.934 734 HG LEU 13 HG LEU 13 2.749 2.152 11.774 735 1HD1 LEU 13 1HD1 LEU 13 0.973 0.891 9.635 736 2HD1 LEU 13 2HD1 LEU 13 2.705 1.234 9.474 737 3HD1 LEU 13 3HD1 LEU 13 2.160 0.038 10.652 738 1HD2 LEU 13 1HD2 LEU 13 0.644 3.376 9.948 739 2HD2 LEU 13 2HD2 LEU 13 1.458 4.210 11.287 740 3HD2 LEU 13 3HD2 LEU 13 2.397 3.657 9.887 741 H GLU 14 H GLU 14 2.153 1.834 14.705 742 HA GLU 14 HA GLU 14 4.747 0.868 14.070 743 1HB GLU 14 1HB GLU 14 3.620 2.267 16.517 744 2HB GLU 14 2HB GLU 14 5.351 1.944 16.282 745 1HG GLU 14 1HG GLU 14 5.350 3.196 14.162 746 2HG GLU 14 2HG GLU 14 3.616 3.502 14.293 747 H GLN 15 H GLN 15 2.590 -0.175 16.773 748 HA GLN 15 HA GLN 15 4.456 -2.107 17.814 749 1HB GLN 15 1HB GLN 15 1.545 -1.486 18.184 750 2HB GLN 15 2HB GLN 15 2.102 -3.080 18.665 751 1HG GLN 15 1HG GLN 15 2.153 -1.314 20.493 752 2HG GLN 15 2HG GLN 15 3.596 -2.304 20.264 753 1HE2 GLN 15 1HE2 GLN 15 2.401 0.816 18.804 754 2HE2 GLN 15 2HE2 GLN 15 3.916 1.648 19.162 755 H LEU 16 H LEU 16 1.777 -2.471 15.474 756 HA LEU 16 HA LEU 16 2.036 -5.275 15.106 757 1HB LEU 16 1HB LEU 16 0.172 -3.614 14.429 758 2HB LEU 16 2HB LEU 16 1.133 -3.274 12.996 759 HG LEU 16 HG LEU 16 -0.641 -4.793 12.508 760 1HD1 LEU 16 1HD1 LEU 16 1.825 -6.548 12.597 761 2HD1 LEU 16 2HD1 LEU 16 0.461 -6.634 11.474 762 3HD1 LEU 16 3HD1 LEU 16 1.566 -5.247 11.406 763 1HD2 LEU 16 1HD2 LEU 16 -0.995 -5.675 14.817 764 2HD2 LEU 16 2HD2 LEU 16 -1.016 -6.929 13.566 765 3HD2 LEU 16 3HD2 LEU 16 0.407 -6.744 14.602 766 H HIS 17 H HIS 17 3.435 -2.540 13.197 767 HA HIS 17 HA HIS 17 5.103 -4.064 11.495 768 1HB HIS 17 1HB HIS 17 4.708 -1.705 11.144 769 2HB HIS 17 2HB HIS 17 5.446 -1.304 12.694 770 HD1 HIS 17 1HD HIS 17 7.154 -3.717 10.154 771 HD2 HIS 17 2HD HIS 17 7.472 0.115 11.906 772 HE1 HIS 17 1HE HIS 17 9.435 -2.790 9.519 773 H ARG 18 H ARG 18 5.883 -2.724 14.756 774 HA ARG 18 HA ARG 18 8.504 -3.750 15.008 775 1HB ARG 18 1HB ARG 18 7.700 -2.099 16.469 776 2HB ARG 18 2HB ARG 18 6.348 -3.078 17.013 777 1HG ARG 18 1HG ARG 18 9.082 -4.217 17.522 778 2HG ARG 18 2HG ARG 18 8.633 -2.762 18.415 779 1HD ARG 18 1HD ARG 18 6.576 -3.779 19.235 780 2HD ARG 18 2HD ARG 18 6.908 -5.282 18.387 781 HE ARG 18 HE ARG 18 8.105 -4.287 20.861 782 1HH1 ARG 18 1HH1 ARG 18 8.670 -6.479 18.151 783 2HH1 ARG 18 2HH1 ARG 18 9.693 -7.553 19.096 784 1HH2 ARG 18 1HH2 ARG 18 9.461 -5.672 22.027 785 2HH2 ARG 18 2HH2 ARG 18 10.153 -7.079 21.248 786 H LYS 19 H LYS 19 5.407 -5.370 15.900 787 HA LYS 19 HA LYS 19 6.565 -7.800 16.801 788 1HB LYS 19 1HB LYS 19 4.214 -7.125 17.126 789 2HB LYS 19 2HB LYS 19 3.895 -7.370 15.403 790 1HG LYS 19 1HG LYS 19 4.492 -9.777 15.629 791 2HG LYS 19 2HG LYS 19 4.840 -9.521 17.352 792 1HD LYS 19 1HD LYS 19 2.484 -8.808 17.717 793 2HD LYS 19 2HD LYS 19 2.144 -9.037 15.991 794 1HE LYS 19 1HE LYS 19 2.726 -11.452 16.195 795 2HE LYS 19 2HE LYS 19 3.065 -11.223 17.922 796 1HZ LYS 19 1HZ LYS 19 0.873 -12.074 17.552 797 2HZ LYS 19 2HZ LYS 19 0.786 -10.570 18.218 798 3HZ LYS 19 3HZ LYS 19 0.472 -10.781 16.614 799 H LEU 20 H LEU 20 5.406 -6.948 13.487 800 HA LEU 20 HA LEU 20 6.218 -9.416 12.285 801 1HB LEU 20 1HB LEU 20 5.871 -6.656 11.089 802 2HB LEU 20 2HB LEU 20 6.050 -8.143 10.149 803 HG LEU 20 HG LEU 20 3.798 -7.717 12.165 804 1HD1 LEU 20 1HD1 LEU 20 3.632 -6.038 10.441 805 2HD1 LEU 20 2HD1 LEU 20 3.956 -7.232 9.179 806 3HD1 LEU 20 3HD1 LEU 20 2.433 -7.302 10.088 807 1HD2 LEU 20 1HD2 LEU 20 2.717 -9.550 10.872 808 2HD2 LEU 20 2HD2 LEU 20 4.225 -9.779 9.967 809 3HD2 LEU 20 3HD2 LEU 20 4.171 -10.085 11.715 810 H LYS 21 H LYS 21 7.972 -6.347 12.636 811 HA LYS 21 HA LYS 21 10.342 -7.055 11.228 812 1HB LYS 21 1HB LYS 21 9.648 -4.766 11.878 813 2HB LYS 21 2HB LYS 21 9.951 -5.153 13.577 814 1HG LYS 21 1HG LYS 21 12.306 -5.352 13.224 815 2HG LYS 21 2HG LYS 21 12.117 -5.467 11.472 816 1HD LYS 21 1HD LYS 21 13.021 -3.297 12.153 817 2HD LYS 21 2HD LYS 21 11.495 -3.116 11.291 818 1HE LYS 21 1HE LYS 21 11.553 -3.186 14.336 819 2HE LYS 21 2HE LYS 21 11.959 -1.706 13.453 820 1HZ LYS 21 1HZ LYS 21 9.426 -3.148 13.173 821 2HZ LYS 21 2HZ LYS 21 9.664 -1.750 14.010 822 3HZ LYS 21 3HZ LYS 21 9.852 -1.775 12.374 823 H ASN 22 H ASN 22 9.391 -7.508 14.658 824 HA ASN 22 HA ASN 22 11.826 -8.816 15.438 825 1HB ASN 22 1HB ASN 22 10.019 -7.791 16.868 826 2HB ASN 22 2HB ASN 22 9.074 -9.268 16.646 827 1HD2 ASN 22 1HD2 ASN 22 11.695 -10.994 16.743 828 2HD2 ASN 22 2HD2 ASN 22 12.065 -10.926 18.460 829 H CYS 23 H CYS 23 8.707 -10.070 14.177 830 HA CYS 23 HA CYS 23 9.234 -12.844 14.330 831 1HB CYS 23 1HB CYS 23 7.003 -12.044 13.838 832 2HB CYS 23 2HB CYS 23 7.577 -11.200 12.410 833 H LYS 24 H LYS 24 9.437 -10.910 11.316 834 HA LYS 24 HA LYS 24 10.248 -11.628 9.257 835 1HB LYS 24 1HB LYS 24 12.653 -11.061 9.203 836 2HB LYS 24 2HB LYS 24 11.660 -9.912 10.109 837 1HG LYS 24 1HG LYS 24 12.357 -10.909 12.232 838 2HG LYS 24 2HG LYS 24 13.348 -12.114 11.393 839 1HD LYS 24 1HD LYS 24 14.764 -10.320 10.465 840 2HD LYS 24 2HD LYS 24 13.715 -9.085 11.186 841 1HE LYS 24 1HE LYS 24 15.353 -11.147 12.742 842 2HE LYS 24 2HE LYS 24 15.742 -9.428 12.546 843 1HZ LYS 24 1HZ LYS 24 13.439 -10.567 13.968 844 2HZ LYS 24 2HZ LYS 24 14.681 -9.688 14.601 845 3HZ LYS 24 3HZ LYS 24 13.571 -8.974 13.598 846 H VAL 25 H VAL 25 9.474 -14.035 10.350 847 HA VAL 25 HA VAL 25 11.570 -15.811 10.845 848 HB VAL 25 HB VAL 25 9.304 -15.995 11.729 849 1HG1 VAL 25 1HG1 VAL 25 7.483 -17.001 10.500 850 2HG1 VAL 25 2HG1 VAL 25 8.017 -15.567 9.613 851 3HG1 VAL 25 3HG1 VAL 25 8.473 -17.186 9.045 852 1HG2 VAL 25 1HG2 VAL 25 10.862 -17.909 11.828 853 2HG2 VAL 25 2HG2 VAL 25 9.170 -18.426 11.724 854 3HG2 VAL 25 3HG2 VAL 25 10.211 -18.525 10.293 Start of MODEL 3 1 1H GLU 1 1H GLU 1 8.478 10.375 10.726 2 2H GLU 1 2H GLU 1 7.756 10.136 9.259 3 3H GLU 1 3H GLU 1 8.794 9.014 9.865 4 HA GLU 1 HA GLU 1 6.625 8.202 10.088 5 1HB GLU 1 1HB GLU 1 7.880 9.073 12.720 6 2HB GLU 1 2HB GLU 1 6.541 7.922 12.600 7 1HG GLU 1 1HG GLU 1 9.290 7.519 11.326 8 2HG GLU 1 2HG GLU 1 8.722 6.781 12.824 9 H ASN 2 H ASN 2 6.844 11.522 11.289 10 HA ASN 2 HA ASN 2 4.098 11.590 12.172 11 1HB ASN 2 1HB ASN 2 5.867 13.027 13.115 12 2HB ASN 2 2HB ASN 2 6.010 13.870 11.564 13 1HD2 ASN 2 1HD2 ASN 2 5.466 15.881 12.717 14 2HD2 ASN 2 2HD2 ASN 2 3.786 16.176 13.149 15 H ARG 3 H ARG 3 3.454 10.531 10.017 16 HA ARG 3 HA ARG 3 2.649 12.591 7.979 17 1HB ARG 3 1HB ARG 3 3.029 9.617 7.544 18 2HB ARG 3 2HB ARG 3 2.761 10.851 6.317 19 1HG ARG 3 1HG ARG 3 5.276 10.486 8.006 20 2HG ARG 3 2HG ARG 3 5.053 10.133 6.292 21 1HD ARG 3 1HD ARG 3 4.721 12.516 5.790 22 2HD ARG 3 2HD ARG 3 4.955 12.914 7.487 23 HE ARG 3 HE ARG 3 7.214 12.695 7.258 24 1HH1 ARG 3 1HH1 ARG 3 5.757 11.042 4.495 25 2HH1 ARG 3 2HH1 ARG 3 7.275 10.891 3.626 26 1HH2 ARG 3 1HH2 ARG 3 9.164 12.417 6.175 27 2HH2 ARG 3 2HH2 ARG 3 9.205 11.615 4.621 28 H GLU 4 H GLU 4 0.519 12.243 6.988 29 HA GLU 4 HA GLU 4 -1.431 11.600 9.084 30 1HB GLU 4 1HB GLU 4 -1.725 12.672 6.262 31 2HB GLU 4 2HB GLU 4 -3.073 12.365 7.370 32 1HG GLU 4 1HG GLU 4 -2.064 13.909 9.048 33 2HG GLU 4 2HG GLU 4 -0.740 14.255 7.921 34 H VAL 5 H VAL 5 -0.746 9.339 9.194 35 HA VAL 5 HA VAL 5 -1.071 7.268 7.511 36 HB VAL 5 HB VAL 5 -2.254 7.257 10.310 37 1HG1 VAL 5 1HG1 VAL 5 -2.872 5.243 9.022 38 2HG1 VAL 5 2HG1 VAL 5 -1.180 5.020 8.528 39 3HG1 VAL 5 3HG1 VAL 5 -1.648 4.840 10.228 40 1HG2 VAL 5 1HG2 VAL 5 0.074 8.041 10.433 41 2HG2 VAL 5 2HG2 VAL 5 -0.032 6.373 10.992 42 3HG2 VAL 5 3HG2 VAL 5 0.588 6.714 9.369 43 HA PRO 6 HA PRO 6 -5.322 8.147 6.275 44 1HB PRO 6 1HB PRO 6 -5.403 6.986 3.815 45 2HB PRO 6 2HB PRO 6 -4.369 8.404 4.158 46 1HG PRO 6 1HG PRO 6 -3.545 5.480 4.188 47 2HG PRO 6 2HG PRO 6 -2.772 6.826 3.302 48 1HD PRO 6 1HD PRO 6 -1.910 5.975 5.770 49 2HD PRO 6 2HD PRO 6 -1.830 7.697 5.292 50 HA PRO 7 HA PRO 7 -7.606 4.573 7.626 51 1HB PRO 7 1HB PRO 7 -10.001 4.800 6.283 52 2HB PRO 7 2HB PRO 7 -9.506 5.856 7.635 53 1HG PRO 7 1HG PRO 7 -9.212 6.416 4.670 54 2HG PRO 7 2HG PRO 7 -9.927 7.479 5.918 55 1HD PRO 7 1HD PRO 7 -7.373 7.815 5.144 56 2HD PRO 7 2HD PRO 7 -7.781 7.919 6.881 57 H GLY 8 H GLY 8 -7.064 5.049 4.171 58 1HA GLY 8 1HA GLY 8 -7.610 2.548 3.056 59 2HA GLY 8 2HA GLY 8 -6.217 3.556 2.648 60 H PHE 9 H PHE 9 -4.907 3.437 5.262 61 HA PHE 9 HA PHE 9 -3.464 0.946 5.041 62 1HB PHE 9 1HB PHE 9 -2.379 2.894 5.962 63 2HB PHE 9 2HB PHE 9 -3.631 3.084 7.188 64 HD1 PHE 9 1HD PHE 9 -1.465 0.207 6.064 65 HD2 PHE 9 2HD PHE 9 -2.893 2.620 9.341 66 HE1 PHE 9 1HE PHE 9 -0.271 -1.257 7.666 67 HE2 PHE 9 2HE PHE 9 -1.695 1.160 10.933 68 HZ PHE 9 HZ PHE 9 -0.439 -0.822 10.112 69 H THR 10 H THR 10 -5.930 2.116 7.403 70 HA THR 10 HA THR 10 -6.185 -0.293 8.865 71 HB THR 10 HB THR 10 -8.411 1.717 8.331 72 HG1 THR 10 1HG THR 10 -6.167 1.866 10.059 73 1HG2 THR 10 1HG2 THR 10 -8.988 1.207 10.677 74 2HG2 THR 10 2HG2 THR 10 -9.020 -0.274 9.700 75 3HG2 THR 10 3HG2 THR 10 -7.644 0.053 10.779 76 H ALA 11 H ALA 11 -7.922 0.810 5.931 77 HA ALA 11 HA ALA 11 -9.609 -1.466 5.664 78 1HB ALA 11 1HB ALA 11 -9.929 -0.742 3.398 79 2HB ALA 11 2HB ALA 11 -9.835 0.692 4.431 80 3HB ALA 11 3HB ALA 11 -8.444 0.232 3.425 81 H LEU 12 H LEU 12 -6.340 -0.876 4.239 82 HA LEU 12 HA LEU 12 -5.980 -3.384 3.003 83 1HB LEU 12 1HB LEU 12 -4.533 -1.481 2.678 84 2HB LEU 12 2HB LEU 12 -3.902 -1.580 4.318 85 HG LEU 12 HG LEU 12 -3.677 -3.976 2.472 86 1HD1 LEU 12 1HD1 LEU 12 -1.834 -1.559 2.489 87 2HD1 LEU 12 2HD1 LEU 12 -1.493 -3.099 1.675 88 3HD1 LEU 12 3HD1 LEU 12 -2.859 -2.110 1.140 89 1HD2 LEU 12 1HD2 LEU 12 -1.923 -2.881 4.728 90 2HD2 LEU 12 2HD2 LEU 12 -2.903 -4.362 4.784 91 3HD2 LEU 12 3HD2 LEU 12 -1.513 -4.278 3.716 92 H ILE 13 H ILE 13 -4.992 -2.455 6.364 93 HA ILE 13 HA ILE 13 -4.167 -5.082 7.105 94 HB ILE 13 HB ILE 13 -5.176 -2.746 8.753 95 1HG1 ILE 13 1HG1 ILE 13 -3.075 -2.296 7.584 96 2HG1 ILE 13 2HG1 ILE 13 -2.833 -2.415 9.322 97 1HG2 ILE 13 1HG2 ILE 13 -4.093 -3.904 10.707 98 2HG2 ILE 13 2HG2 ILE 13 -5.585 -4.651 10.142 99 3HG2 ILE 13 3HG2 ILE 13 -4.028 -5.387 9.727 100 1HD1 ILE 13 1HD1 ILE 13 -2.052 -4.477 7.219 101 2HD1 ILE 13 2HD1 ILE 13 -0.996 -3.500 8.236 102 3HD1 ILE 13 3HD1 ILE 13 -1.966 -4.779 8.968 103 H LYS 14 H LYS 14 -7.402 -3.577 7.577 104 HA LYS 14 HA LYS 14 -8.589 -5.782 8.870 105 1HB LYS 14 1HB LYS 14 -9.541 -3.509 8.706 106 2HB LYS 14 2HB LYS 14 -9.890 -3.769 6.988 107 1HG LYS 14 1HG LYS 14 -11.393 -5.664 7.595 108 2HG LYS 14 2HG LYS 14 -10.998 -5.424 9.309 109 1HD LYS 14 1HD LYS 14 -11.891 -3.082 9.152 110 2HD LYS 14 2HD LYS 14 -12.371 -3.391 7.477 111 1HE LYS 14 1HE LYS 14 -13.369 -4.925 9.935 112 2HE LYS 14 2HE LYS 14 -14.259 -3.650 9.089 113 1HZ LYS 14 1HZ LYS 14 -14.963 -5.795 8.379 114 2HZ LYS 14 2HZ LYS 14 -14.230 -5.019 7.124 115 3HZ LYS 14 3HZ LYS 14 -13.437 -6.219 7.928 116 H THR 15 H THR 15 -8.544 -5.036 5.341 117 HA THR 15 HA THR 15 -9.881 -7.462 4.576 118 HB THR 15 HB THR 15 -9.004 -7.015 2.306 119 HG1 THR 15 1HG THR 15 -7.875 -4.709 3.524 120 1HG2 THR 15 1HG2 THR 15 -10.262 -4.627 3.721 121 2HG2 THR 15 2HG2 THR 15 -10.225 -4.915 1.973 122 3HG2 THR 15 3HG2 THR 15 -11.116 -6.023 3.033 123 H LEU 16 H LEU 16 -6.370 -6.723 4.894 124 HA LEU 16 HA LEU 16 -5.401 -9.245 4.077 125 1HB LEU 16 1HB LEU 16 -4.107 -7.147 4.614 126 2HB LEU 16 2HB LEU 16 -4.218 -7.547 6.321 127 HG LEU 16 HG LEU 16 -3.094 -9.525 4.289 128 1HD1 LEU 16 1HD1 LEU 16 -1.920 -7.397 3.925 129 2HD1 LEU 16 2HD1 LEU 16 -1.584 -7.268 5.665 130 3HD1 LEU 16 3HD1 LEU 16 -0.859 -8.579 4.701 131 1HD2 LEU 16 1HD2 LEU 16 -2.558 -9.048 7.265 132 2HD2 LEU 16 2HD2 LEU 16 -3.429 -10.431 6.571 133 3HD2 LEU 16 3HD2 LEU 16 -1.708 -10.230 6.250 134 H ARG 17 H ARG 17 -6.286 -8.196 7.398 135 HA ARG 17 HA ARG 17 -5.976 -10.716 8.654 136 1HB ARG 17 1HB ARG 17 -7.725 -8.318 9.314 137 2HB ARG 17 2HB ARG 17 -7.618 -9.763 10.337 138 1HG ARG 17 1HG ARG 17 -5.145 -9.489 10.470 139 2HG ARG 17 2HG ARG 17 -5.260 -7.988 9.549 140 1HD ARG 17 1HD ARG 17 -6.693 -6.987 11.266 141 2HD ARG 17 2HD ARG 17 -6.714 -8.490 12.192 142 HE ARG 17 HE ARG 17 -4.607 -6.487 12.101 143 1HH1 ARG 17 1HH1 ARG 17 -5.166 -9.950 12.658 144 2HH1 ARG 17 2HH1 ARG 17 -3.766 -10.110 13.691 145 1HH2 ARG 17 1HH2 ARG 17 -2.811 -6.745 13.408 146 2HH2 ARG 17 2HH2 ARG 17 -2.416 -8.301 14.097 147 H LYS 18 H LYS 18 -8.929 -9.332 7.116 148 HA LYS 18 HA LYS 18 -10.689 -11.493 7.537 149 1HB LYS 18 1HB LYS 18 -11.361 -9.357 6.539 150 2HB LYS 18 2HB LYS 18 -10.358 -9.680 5.130 151 1HG LYS 18 1HG LYS 18 -11.808 -11.751 4.688 152 2HG LYS 18 2HG LYS 18 -12.910 -11.108 5.918 153 1HD LYS 18 1HD LYS 18 -13.104 -8.996 4.588 154 2HD LYS 18 2HD LYS 18 -11.920 -9.624 3.423 155 1HE LYS 18 1HE LYS 18 -13.454 -11.552 2.948 156 2HE LYS 18 2HE LYS 18 -14.676 -10.797 3.989 157 1HZ LYS 18 1HZ LYS 18 -14.625 -8.893 2.525 158 2HZ LYS 18 2HZ LYS 18 -13.491 -9.611 1.567 159 3HZ LYS 18 3HZ LYS 18 -14.998 -10.260 1.682 160 H CYS 19 H CYS 19 -8.555 -11.038 4.640 161 HA CYS 19 HA CYS 19 -9.072 -13.576 3.493 162 1HB CYS 19 1HB CYS 19 -6.538 -11.915 3.317 163 2HB CYS 19 2HB CYS 19 -7.027 -13.186 2.185 164 H LYS 20 H LYS 20 -6.559 -12.633 5.836 165 HA LYS 20 HA LYS 20 -5.429 -15.306 6.026 166 1HB LYS 20 1HB LYS 20 -4.128 -13.235 6.229 167 2HB LYS 20 2HB LYS 20 -5.062 -12.761 7.649 168 1HG LYS 20 1HG LYS 20 -2.817 -13.587 8.190 169 2HG LYS 20 2HG LYS 20 -4.081 -14.516 8.980 170 1HD LYS 20 1HD LYS 20 -3.828 -16.329 7.279 171 2HD LYS 20 2HD LYS 20 -2.645 -15.342 6.402 172 1HE LYS 20 1HE LYS 20 -1.492 -17.020 7.744 173 2HE LYS 20 2HE LYS 20 -1.146 -15.417 8.413 174 1HZ LYS 20 1HZ LYS 20 -3.178 -17.290 9.425 175 2HZ LYS 20 2HZ LYS 20 -1.696 -17.036 10.102 176 3HZ LYS 20 3HZ LYS 20 -2.812 -15.824 10.076 177 H ILE 21 H ILE 21 -8.376 -14.222 7.123 178 HA ILE 21 HA ILE 21 -9.873 -14.857 8.620 179 HB ILE 21 HB ILE 21 -8.012 -17.025 9.652 180 1HG1 ILE 21 1HG1 ILE 21 -8.233 -17.415 7.273 181 2HG1 ILE 21 2HG1 ILE 21 -9.198 -18.577 8.171 182 1HG2 ILE 21 1HG2 ILE 21 -9.835 -16.581 11.162 183 2HG2 ILE 21 2HG2 ILE 21 -11.016 -16.626 9.842 184 3HG2 ILE 21 3HG2 ILE 21 -10.145 -18.100 10.314 185 1HD1 ILE 21 1HD1 ILE 21 -10.269 -16.121 6.707 186 2HD1 ILE 21 2HD1 ILE 21 -10.398 -17.807 6.196 187 3HD1 ILE 21 3HD1 ILE 21 -11.259 -17.266 7.644 188 H ILE 22 H ILE 22 -6.688 -15.043 10.206 189 HA ILE 22 HA ILE 22 -7.693 -13.341 12.445 190 HB ILE 22 HB ILE 22 -6.633 -15.455 13.043 191 1HG1 ILE 22 1HG1 ILE 22 -4.946 -13.057 13.888 192 2HG1 ILE 22 2HG1 ILE 22 -6.569 -13.417 14.496 193 1HG2 ILE 22 1HG2 ILE 22 -4.265 -15.890 12.730 194 2HG2 ILE 22 2HG2 ILE 22 -4.984 -15.611 11.152 195 3HG2 ILE 22 3HG2 ILE 22 -4.024 -14.332 11.923 196 1HD1 ILE 22 1HD1 ILE 22 -4.963 -14.224 16.090 197 2HD1 ILE 22 2HD1 ILE 22 -5.740 -15.626 15.330 198 3HD1 ILE 22 3HD1 ILE 22 -4.091 -15.148 14.858 199 1H ASN 1 1H ASN 1 10.051 9.516 -1.798 200 2H ASN 1 2H ASN 1 11.216 10.626 -2.160 201 3H ASN 1 3H ASN 1 11.335 9.089 -2.736 202 HA ASN 1 HA ASN 1 10.683 10.550 -4.468 203 1HB ASN 1 1HB ASN 1 9.936 8.220 -4.488 204 2HB ASN 1 2HB ASN 1 8.474 8.642 -3.591 205 1HD2 ASN 1 1HD2 ASN 1 8.060 7.303 -5.969 206 2HD2 ASN 1 2HD2 ASN 1 7.553 8.473 -7.185 207 H LEU 2 H LEU 2 7.974 10.370 -2.109 208 HA LEU 2 HA LEU 2 6.442 11.801 -1.418 209 1HB LEU 2 1HB LEU 2 8.317 13.097 -0.617 210 2HB LEU 2 2HB LEU 2 8.478 13.931 -2.164 211 HG LEU 2 HG LEU 2 6.260 14.989 -1.863 212 1HD1 LEU 2 1HD1 LEU 2 5.194 14.921 0.387 213 2HD1 LEU 2 2HD1 LEU 2 5.125 13.350 -0.415 214 3HD1 LEU 2 3HD1 LEU 2 6.321 13.641 0.875 215 1HD2 LEU 2 1HD2 LEU 2 6.961 16.533 -0.088 216 2HD2 LEU 2 2HD2 LEU 2 8.181 15.367 0.467 217 3HD2 LEU 2 3HD2 LEU 2 8.326 16.115 -1.137 218 H VAL 3 H VAL 3 7.652 13.504 -4.344 219 HA VAL 3 HA VAL 3 5.129 14.729 -4.861 220 HB VAL 3 HB VAL 3 7.511 14.332 -6.722 221 1HG1 VAL 3 1HG1 VAL 3 5.493 14.935 -8.022 222 2HG1 VAL 3 2HG1 VAL 3 5.142 16.254 -6.885 223 3HG1 VAL 3 3HG1 VAL 3 6.587 16.316 -7.913 224 1HG2 VAL 3 1HG2 VAL 3 8.119 15.560 -4.666 225 2HG2 VAL 3 2HG2 VAL 3 8.063 16.656 -6.049 226 3HG2 VAL 3 3HG2 VAL 3 6.725 16.638 -4.884 227 H SER 4 H SER 4 6.688 12.335 -7.077 228 HA SER 4 HA SER 4 4.070 11.411 -8.019 229 1HB SER 4 1HB SER 4 5.214 9.796 -9.309 230 2HB SER 4 2HB SER 4 6.112 11.313 -9.447 231 HG SER 4 HG SER 4 7.528 10.414 -7.756 232 H GLY 5 H GLY 5 6.368 10.569 -5.532 233 1HA GLY 5 1HA GLY 5 5.758 8.147 -4.507 234 2HA GLY 5 2HA GLY 5 6.009 9.571 -3.492 235 H LEU 6 H LEU 6 3.785 11.078 -3.741 236 HA LEU 6 HA LEU 6 1.864 9.862 -2.133 237 1HB LEU 6 1HB LEU 6 2.296 12.342 -2.814 238 2HB LEU 6 2HB LEU 6 1.102 12.059 -4.078 239 HG LEU 6 HG LEU 6 0.752 11.711 -1.063 240 1HD1 LEU 6 1HD1 LEU 6 0.943 14.060 -1.810 241 2HD1 LEU 6 2HD1 LEU 6 -0.374 13.801 -2.975 242 3HD1 LEU 6 3HD1 LEU 6 -0.692 13.701 -1.230 243 1HD2 LEU 6 1HD2 LEU 6 -0.779 10.147 -2.089 244 2HD2 LEU 6 2HD2 LEU 6 -1.714 11.557 -1.604 245 3HD2 LEU 6 3HD2 LEU 6 -1.277 11.344 -3.313 246 H ILE 7 H ILE 7 1.426 10.465 -5.669 247 HA ILE 7 HA ILE 7 -0.960 8.879 -5.788 248 HB ILE 7 HB ILE 7 -0.778 9.048 -8.215 249 1HG1 ILE 7 1HG1 ILE 7 1.788 10.630 -7.746 250 2HG1 ILE 7 2HG1 ILE 7 1.716 8.997 -8.439 251 1HG2 ILE 7 1HG2 ILE 7 -1.806 10.803 -6.754 252 2HG2 ILE 7 2HG2 ILE 7 -0.275 11.700 -6.798 253 3HG2 ILE 7 3HG2 ILE 7 -1.208 11.436 -8.285 254 1HD1 ILE 7 1HD1 ILE 7 0.296 9.877 -10.295 255 2HD1 ILE 7 2HD1 ILE 7 0.570 11.523 -9.670 256 3HD1 ILE 7 3HD1 ILE 7 1.936 10.552 -10.234 257 H GLU 8 H GLU 8 2.422 8.048 -6.496 258 HA GLU 8 HA GLU 8 2.097 5.424 -7.488 259 1HB GLU 8 1HB GLU 8 4.169 6.693 -7.538 260 2HB GLU 8 2HB GLU 8 4.250 6.736 -5.775 261 1HG GLU 8 1HG GLU 8 4.607 4.290 -5.696 262 2HG GLU 8 2HG GLU 8 4.446 4.205 -7.459 263 H ALA 9 H ALA 9 2.727 6.411 -4.096 264 HA ALA 9 HA ALA 9 2.373 3.831 -2.940 265 1HB ALA 9 1HB ALA 9 2.062 6.578 -1.711 266 2HB ALA 9 2HB ALA 9 2.329 5.056 -0.827 267 3HB ALA 9 3HB ALA 9 3.604 5.702 -1.883 268 H ARG 10 H ARG 10 0.073 6.591 -3.341 269 HA ARG 10 HA ARG 10 -2.138 5.414 -2.013 270 1HB ARG 10 1HB ARG 10 -1.971 7.772 -2.683 271 2HB ARG 10 2HB ARG 10 -2.106 7.312 -4.389 272 1HG ARG 10 1HG ARG 10 -4.381 6.397 -3.960 273 2HG ARG 10 2HG ARG 10 -4.214 6.798 -2.241 274 1HD ARG 10 1HD ARG 10 -3.949 9.229 -2.888 275 2HD ARG 10 2HD ARG 10 -4.140 8.764 -4.576 276 HE ARG 10 HE ARG 10 -6.408 8.557 -4.308 277 1HH1 ARG 10 1HH1 ARG 10 -4.969 8.640 -1.098 278 2HH1 ARG 10 2HH1 ARG 10 -6.505 8.800 -0.274 279 1HH2 ARG 10 1HH2 ARG 10 -8.373 8.747 -3.252 280 2HH2 ARG 10 2HH2 ARG 10 -8.448 8.847 -1.510 281 H LYS 11 H LYS 11 -1.239 5.270 -5.499 282 HA LYS 11 HA LYS 11 -3.312 3.560 -6.369 283 1HB LYS 11 1HB LYS 11 -1.764 4.878 -7.778 284 2HB LYS 11 2HB LYS 11 -0.453 3.754 -7.425 285 1HG LYS 11 1HG LYS 11 -3.094 2.992 -8.777 286 2HG LYS 11 2HG LYS 11 -1.638 3.511 -9.626 287 1HD LYS 11 1HD LYS 11 -0.395 1.556 -8.519 288 2HD LYS 11 2HD LYS 11 -1.975 0.972 -7.974 289 1HE LYS 11 1HE LYS 11 -1.479 -0.199 -9.974 290 2HE LYS 11 2HE LYS 11 -2.773 0.950 -10.347 291 1HZ LYS 11 1HZ LYS 11 -1.051 0.912 -12.014 292 2HZ LYS 11 2HZ LYS 11 -1.109 2.393 -11.299 293 3HZ LYS 11 3HZ LYS 11 0.093 1.337 -10.906 294 H TYR 12 H TYR 12 0.048 2.671 -5.330 295 HA TYR 12 HA TYR 12 -0.267 -0.125 -5.371 296 1HB TYR 12 1HB TYR 12 1.893 0.828 -5.016 297 2HB TYR 12 2HB TYR 12 1.363 1.694 -3.579 298 HD1 TYR 12 1HD TYR 12 1.697 -1.810 -4.910 299 HD2 TYR 12 2HD TYR 12 1.638 0.735 -1.430 300 HE1 TYR 12 1HE TYR 12 2.073 -3.781 -3.458 301 HE2 TYR 12 2HE TYR 12 2.015 -1.254 0.018 302 HH TYR 12 HH TYR 12 2.205 -4.545 -1.324 303 H LEU 13 H LEU 13 -0.792 2.000 -2.535 304 HA LEU 13 HA LEU 13 -1.710 0.145 -0.684 305 1HB LEU 13 1HB LEU 13 -1.159 2.428 -0.117 306 2HB LEU 13 2HB LEU 13 -2.441 3.059 -1.150 307 HG LEU 13 HG LEU 13 -4.168 2.140 0.347 308 1HD1 LEU 13 1HD1 LEU 13 -3.483 1.254 2.577 309 2HD1 LEU 13 2HD1 LEU 13 -3.002 0.191 1.255 310 3HD1 LEU 13 3HD1 LEU 13 -1.793 1.236 2.039 311 1HD2 LEU 13 1HD2 LEU 13 -2.037 3.786 1.771 312 2HD2 LEU 13 2HD2 LEU 13 -3.302 4.422 0.698 313 3HD2 LEU 13 3HD2 LEU 13 -3.744 3.664 2.239 314 H GLU 14 H GLU 14 -3.799 2.145 -2.854 315 HA GLU 14 HA GLU 14 -6.186 0.823 -2.092 316 1HB GLU 14 1HB GLU 14 -6.335 2.991 -3.032 317 2HB GLU 14 2HB GLU 14 -5.447 2.517 -4.484 318 1HG GLU 14 1HG GLU 14 -7.873 2.814 -4.901 319 2HG GLU 14 2HG GLU 14 -7.294 1.207 -5.321 320 H GLN 15 H GLN 15 -3.987 0.155 -4.864 321 HA GLN 15 HA GLN 15 -5.566 -1.901 -6.042 322 1HB GLN 15 1HB GLN 15 -3.737 -0.807 -7.161 323 2HB GLN 15 2HB GLN 15 -2.550 -1.446 -6.020 324 1HG GLN 15 1HG GLN 15 -4.291 -3.389 -7.581 325 2HG GLN 15 2HG GLN 15 -2.975 -2.548 -8.398 326 1HE2 GLN 15 1HE2 GLN 15 -3.652 -4.878 -5.756 327 2HE2 GLN 15 2HE2 GLN 15 -1.993 -5.486 -5.761 328 H LEU 16 H LEU 16 -3.045 -2.072 -3.506 329 HA LEU 16 HA LEU 16 -3.082 -4.913 -3.234 330 1HB LEU 16 1HB LEU 16 -1.342 -3.147 -2.507 331 2HB LEU 16 2HB LEU 16 -2.333 -2.899 -1.080 332 HG LEU 16 HG LEU 16 -0.485 -4.316 -0.580 333 1HD1 LEU 16 1HD1 LEU 16 -1.492 -6.255 0.380 334 2HD1 LEU 16 2HD1 LEU 16 -2.687 -4.945 0.448 335 3HD1 LEU 16 3HD1 LEU 16 -2.825 -6.226 -0.782 336 1HD2 LEU 16 1HD2 LEU 16 -1.350 -6.270 -2.752 337 2HD2 LEU 16 2HD2 LEU 16 -0.017 -5.108 -2.900 338 3HD2 LEU 16 3HD2 LEU 16 0.055 -6.394 -1.683 339 H HIS 17 H HIS 17 -4.593 -2.347 -1.228 340 HA HIS 17 HA HIS 17 -6.286 -3.828 0.442 341 1HB HIS 17 1HB HIS 17 -6.117 -1.482 0.748 342 2HB HIS 17 2HB HIS 17 -6.500 -1.153 -0.942 343 HD1 HIS 17 1HD HIS 17 -8.781 -0.077 -1.184 344 HD2 HIS 17 2HD HIS 17 -8.572 -3.069 1.777 345 HE1 HIS 17 1HE HIS 17 -11.150 -0.392 -0.288 346 H ARG 18 H ARG 18 -7.021 -2.713 -2.902 347 HA ARG 18 HA ARG 18 -9.611 -3.820 -3.044 348 1HB ARG 18 1HB ARG 18 -8.680 -2.089 -4.514 349 2HB ARG 18 2HB ARG 18 -7.647 -3.289 -5.308 350 1HG ARG 18 1HG ARG 18 -9.688 -4.533 -6.040 351 2HG ARG 18 2HG ARG 18 -10.705 -3.328 -5.229 352 1HD ARG 18 1HD ARG 18 -8.762 -2.786 -7.519 353 2HD ARG 18 2HD ARG 18 -10.530 -2.909 -7.655 354 HE ARG 18 HE ARG 18 -9.921 -0.947 -5.684 355 1HH1 ARG 18 1HH1 ARG 18 -9.684 -1.335 -9.175 356 2HH1 ARG 18 2HH1 ARG 18 -9.750 0.385 -9.488 357 1HH2 ARG 18 1HH2 ARG 18 -9.969 1.192 -6.061 358 2HH2 ARG 18 2HH2 ARG 18 -9.942 1.858 -7.689 359 H LYS 19 H LYS 19 -6.483 -5.245 -4.241 360 HA LYS 19 HA LYS 19 -7.717 -7.683 -5.078 361 1HB LYS 19 1HB LYS 19 -4.881 -7.119 -4.183 362 2HB LYS 19 2HB LYS 19 -5.385 -8.658 -4.888 363 1HG LYS 19 1HG LYS 19 -5.738 -6.022 -6.383 364 2HG LYS 19 2HG LYS 19 -4.238 -6.939 -6.379 365 1HD LYS 19 1HD LYS 19 -5.375 -7.464 -8.379 366 2HD LYS 19 2HD LYS 19 -5.291 -8.899 -7.361 367 1HE LYS 19 1HE LYS 19 -7.453 -8.587 -8.611 368 2HE LYS 19 2HE LYS 19 -7.655 -8.791 -6.882 369 1HZ LYS 19 1HZ LYS 19 -9.001 -7.002 -7.627 370 2HZ LYS 19 2HZ LYS 19 -7.782 -6.344 -6.752 371 3HZ LYS 19 3HZ LYS 19 -7.736 -6.260 -8.397 372 H LEU 20 H LEU 20 -6.357 -6.807 -1.876 373 HA LEU 20 HA LEU 20 -6.987 -9.330 -0.655 374 1HB LEU 20 1HB LEU 20 -6.906 -6.531 0.512 375 2HB LEU 20 2HB LEU 20 -7.076 -8.008 1.469 376 HG LEU 20 HG LEU 20 -4.700 -7.483 -0.356 377 1HD1 LEU 20 1HD1 LEU 20 -3.541 -6.953 1.824 378 2HD1 LEU 20 2HD1 LEU 20 -4.802 -5.782 1.379 379 3HD1 LEU 20 3HD1 LEU 20 -5.133 -7.002 2.613 380 1HD2 LEU 20 1HD2 LEU 20 -3.651 -9.244 1.103 381 2HD2 LEU 20 2HD2 LEU 20 -5.249 -9.557 1.808 382 3HD2 LEU 20 3HD2 LEU 20 -4.954 -9.859 0.085 383 H LYS 21 H LYS 21 -9.031 -6.337 -0.813 384 HA LYS 21 HA LYS 21 -11.305 -7.387 0.411 385 1HB LYS 21 1HB LYS 21 -10.945 -5.012 -0.301 386 2HB LYS 21 2HB LYS 21 -11.183 -5.497 -1.977 387 1HG LYS 21 1HG LYS 21 -13.176 -4.485 -1.182 388 2HG LYS 21 2HG LYS 21 -13.523 -6.196 -1.442 389 1HD LYS 21 1HD LYS 21 -13.322 -6.634 0.986 390 2HD LYS 21 2HD LYS 21 -12.858 -4.947 1.276 391 1HE LYS 21 1HE LYS 21 -15.528 -5.861 0.094 392 2HE LYS 21 2HE LYS 21 -15.258 -5.462 1.799 393 1HZ LYS 21 1HZ LYS 21 -14.934 -3.608 -0.453 394 2HZ LYS 21 2HZ LYS 21 -16.163 -3.612 0.643 395 3HZ LYS 21 3HZ LYS 21 -14.629 -3.254 1.126 396 H ASN 22 H ASN 22 -10.301 -7.722 -2.985 397 HA ASN 22 HA ASN 22 -12.593 -9.286 -3.822 398 1HB ASN 22 1HB ASN 22 -9.838 -9.025 -5.086 399 2HB ASN 22 2HB ASN 22 -11.289 -9.658 -5.867 400 1HD2 ASN 22 1HD2 ASN 22 -12.919 -7.368 -4.440 401 2HD2 ASN 22 2HD2 ASN 22 -12.567 -6.025 -5.520 402 H CYS 23 H CYS 23 -9.996 -10.315 -1.810 403 HA CYS 23 HA CYS 23 -9.458 -12.864 -2.868 404 1HB CYS 23 1HB CYS 23 -8.480 -13.394 -0.800 405 2HB CYS 23 2HB CYS 23 -8.290 -11.655 -0.991 406 H LYS 24 H LYS 24 -12.250 -11.796 -0.994 407 HA LYS 24 HA LYS 24 -13.417 -14.464 -0.722 408 1HB LYS 24 1HB LYS 24 -13.864 -12.561 0.814 409 2HB LYS 24 2HB LYS 24 -14.733 -11.732 -0.489 410 1HG LYS 24 1HG LYS 24 -16.322 -13.669 -0.607 411 2HG LYS 24 2HG LYS 24 -15.426 -14.471 0.698 412 1HD LYS 24 1HD LYS 24 -15.922 -12.557 2.208 413 2HD LYS 24 2HD LYS 24 -16.830 -11.759 0.910 414 1HE LYS 24 1HE LYS 24 -17.507 -14.488 2.119 415 2HE LYS 24 2HE LYS 24 -18.295 -12.960 2.543 416 1HZ LYS 24 1HZ LYS 24 -18.997 -12.755 0.263 417 2HZ LYS 24 2HZ LYS 24 -18.302 -14.200 -0.117 418 3HZ LYS 24 3HZ LYS 24 -19.565 -14.148 0.939 419 H VAL 25 H VAL 25 -12.757 -14.803 -3.094 420 HA VAL 25 HA VAL 25 -14.310 -13.685 -5.207 421 HB VAL 25 HB VAL 25 -13.516 -15.583 -6.553 422 1HG1 VAL 25 1HG1 VAL 25 -11.140 -15.073 -6.423 423 2HG1 VAL 25 2HG1 VAL 25 -12.088 -13.595 -6.188 424 3HG1 VAL 25 3HG1 VAL 25 -11.327 -14.395 -4.797 425 1HG2 VAL 25 1HG2 VAL 25 -13.596 -17.401 -4.866 426 2HG2 VAL 25 2HG2 VAL 25 -12.000 -17.265 -5.614 427 3HG2 VAL 25 3HG2 VAL 25 -12.259 -16.642 -3.977 428 1H GLU 1 1H GLU 1 5.760 7.341 3.772 429 2H GLU 1 2H GLU 1 7.250 7.839 4.273 430 3H GLU 1 3H GLU 1 7.036 6.293 3.741 431 HA GLU 1 HA GLU 1 8.170 7.649 2.152 432 1HB GLU 1 1HB GLU 1 6.743 5.683 1.589 433 2HB GLU 1 2HB GLU 1 5.405 6.759 1.208 434 1HG GLU 1 1HG GLU 1 8.165 6.844 -0.133 435 2HG GLU 1 2HG GLU 1 6.785 5.936 -0.756 436 H ASN 2 H ASN 2 4.717 8.663 2.154 437 HA ASN 2 HA ASN 2 5.594 11.409 1.293 438 1HB ASN 2 1HB ASN 2 3.416 11.533 0.082 439 2HB ASN 2 2HB ASN 2 4.485 10.284 -0.505 440 1HD2 ASN 2 1HD2 ASN 2 3.592 8.298 -0.783 441 2HD2 ASN 2 2HD2 ASN 2 2.085 7.788 -0.026 442 H ARG 3 H ARG 3 3.426 12.871 1.557 443 HA ARG 3 HA ARG 3 3.383 13.659 4.217 444 1HB ARG 3 1HB ARG 3 2.702 14.849 1.993 445 2HB ARG 3 2HB ARG 3 1.098 14.186 2.320 446 1HG ARG 3 1HG ARG 3 1.369 15.320 4.677 447 2HG ARG 3 2HG ARG 3 2.764 16.144 3.957 448 1HD ARG 3 1HD ARG 3 0.906 17.632 3.615 449 2HD ARG 3 2HD ARG 3 1.172 16.865 2.059 450 HE ARG 3 HE ARG 3 -0.785 15.579 2.297 451 1HH1 ARG 3 1HH1 ARG 3 -0.252 17.432 5.251 452 2HH1 ARG 3 2HH1 ARG 3 -1.723 16.875 6.008 453 1HH2 ARG 3 1HH2 ARG 3 -2.564 14.800 3.274 454 2HH2 ARG 3 2HH2 ARG 3 -3.070 15.342 4.871 455 H GLU 4 H GLU 4 1.299 11.252 2.639 456 HA GLU 4 HA GLU 4 -0.495 11.071 4.989 457 1HB GLU 4 1HB GLU 4 -0.580 9.777 2.234 458 2HB GLU 4 2HB GLU 4 -1.681 9.418 3.564 459 1HG GLU 4 1HG GLU 4 -2.793 10.980 2.161 460 2HG GLU 4 2HG GLU 4 -2.376 11.804 3.666 461 H VAL 5 H VAL 5 1.271 8.613 2.990 462 HA VAL 5 HA VAL 5 1.119 6.837 5.328 463 HB VAL 5 HB VAL 5 2.243 5.146 3.838 464 1HG1 VAL 5 1HG1 VAL 5 -0.124 5.072 4.422 465 2HG1 VAL 5 2HG1 VAL 5 -0.501 6.222 3.116 466 3HG1 VAL 5 3HG1 VAL 5 0.116 4.602 2.735 467 1HG2 VAL 5 1HG2 VAL 5 3.035 6.768 2.064 468 2HG2 VAL 5 2HG2 VAL 5 2.072 5.408 1.467 469 3HG2 VAL 5 3HG2 VAL 5 1.320 7.003 1.629 470 HA PRO 6 HA PRO 6 5.259 8.040 6.537 471 1HB PRO 6 1HB PRO 6 5.516 6.594 8.841 472 2HB PRO 6 2HB PRO 6 4.374 7.963 8.704 473 1HG PRO 6 1HG PRO 6 3.782 5.012 8.333 474 2HG PRO 6 2HG PRO 6 2.932 6.172 9.394 475 1HD PRO 6 1HD PRO 6 2.027 5.568 6.904 476 2HD PRO 6 2HD PRO 6 1.908 7.242 7.533 477 HA PRO 7 HA PRO 7 8.164 4.915 5.109 478 1HB PRO 7 1HB PRO 7 9.570 5.449 7.739 479 2HB PRO 7 2HB PRO 7 10.281 5.272 6.111 480 1HG PRO 7 1HG PRO 7 9.917 7.748 7.145 481 2HG PRO 7 2HG PRO 7 9.447 7.428 5.449 482 1HD PRO 7 1HD PRO 7 7.659 7.547 7.885 483 2HD PRO 7 2HD PRO 7 7.429 8.268 6.276 484 H GLY 8 H GLY 8 7.329 4.829 8.582 485 1HA GLY 8 1HA GLY 8 7.382 2.259 9.384 486 2HA GLY 8 2HA GLY 8 6.023 3.335 9.715 487 H PHE 9 H PHE 9 4.934 3.479 7.001 488 HA PHE 9 HA PHE 9 3.371 1.027 7.022 489 1HB PHE 9 1HB PHE 9 2.316 3.050 6.288 490 2HB PHE 9 2HB PHE 9 3.571 3.354 5.090 491 HD1 PHE 9 1HD PHE 9 3.052 2.886 2.857 492 HD2 PHE 9 2HD PHE 9 1.200 0.559 5.980 493 HE1 PHE 9 1HE PHE 9 1.830 1.569 1.152 494 HE2 PHE 9 2HE PHE 9 0.014 -0.790 4.261 495 HZ PHE 9 HZ PHE 9 0.331 -0.287 1.849 496 H THR 10 H THR 10 5.801 2.357 4.705 497 HA THR 10 HA THR 10 5.984 0.096 3.025 498 HB THR 10 HB THR 10 8.225 2.030 3.771 499 HG1 THR 10 1HG THR 10 6.140 2.292 1.869 500 1HG2 THR 10 1HG2 THR 10 8.899 1.681 1.412 501 2HG2 THR 10 2HG2 THR 10 8.939 0.153 2.309 502 3HG2 THR 10 3HG2 THR 10 7.594 0.497 1.200 503 H ALA 11 H ALA 11 7.833 0.943 5.964 504 HA ALA 11 HA ALA 11 9.511 -1.344 6.052 505 1HB ALA 11 1HB ALA 11 8.487 0.355 8.353 506 2HB ALA 11 2HB ALA 11 9.933 -0.683 8.347 507 3HB ALA 11 3HB ALA 11 9.869 0.755 7.314 508 H LEU 12 H LEU 12 6.301 -0.781 7.599 509 HA LEU 12 HA LEU 12 5.973 -3.312 8.795 510 1HB LEU 12 1HB LEU 12 4.579 -1.355 9.190 511 2HB LEU 12 2HB LEU 12 3.851 -1.484 7.592 512 HG LEU 12 HG LEU 12 3.662 -3.659 9.725 513 1HD1 LEU 12 1HD1 LEU 12 1.771 -1.366 9.078 514 2HD1 LEU 12 2HD1 LEU 12 1.409 -2.703 10.195 515 3HD1 LEU 12 3HD1 LEU 12 2.699 -1.555 10.575 516 1HD2 LEU 12 1HD2 LEU 12 2.084 -3.114 7.160 517 2HD2 LEU 12 2HD2 LEU 12 3.022 -4.574 7.545 518 3HD2 LEU 12 3HD2 LEU 12 1.548 -4.231 8.428 519 H ILE 13 H ILE 13 4.898 -2.269 5.494 520 HA ILE 13 HA ILE 13 3.985 -4.800 4.623 521 HB ILE 13 HB ILE 13 5.202 -2.465 3.121 522 1HG1 ILE 13 1HG1 ILE 13 3.009 -2.084 4.290 523 2HG1 ILE 13 2HG1 ILE 13 2.997 -1.829 2.549 524 1HG2 ILE 13 1HG2 ILE 13 3.952 -4.974 1.950 525 2HG2 ILE 13 2HG2 ILE 13 4.157 -3.447 1.062 526 3HG2 ILE 13 3HG2 ILE 13 5.572 -4.318 1.650 527 1HD1 ILE 13 1HD1 ILE 13 0.965 -2.962 3.321 528 2HD1 ILE 13 2HD1 ILE 13 1.862 -3.992 2.204 529 3HD1 ILE 13 3HD1 ILE 13 1.913 -4.312 3.955 530 H LYS 14 H LYS 14 7.297 -3.444 4.162 531 HA LYS 14 HA LYS 14 8.484 -5.712 2.974 532 1HB LYS 14 1HB LYS 14 9.542 -3.495 3.192 533 2HB LYS 14 2HB LYS 14 9.638 -3.711 4.945 534 1HG LYS 14 1HG LYS 14 11.134 -5.709 4.579 535 2HG LYS 14 2HG LYS 14 11.024 -5.430 2.842 536 1HD LYS 14 1HD LYS 14 13.121 -4.517 3.729 537 2HD LYS 14 2HD LYS 14 12.102 -3.230 3.084 538 1HE LYS 14 1HE LYS 14 13.240 -2.653 5.244 539 2HE LYS 14 2HE LYS 14 11.489 -2.485 5.309 540 1HZ LYS 14 1HZ LYS 14 12.370 -3.583 7.240 541 2HZ LYS 14 2HZ LYS 14 11.376 -4.599 6.413 542 3HZ LYS 14 3HZ LYS 14 13.012 -4.788 6.320 543 H THR 15 H THR 15 8.190 -4.925 6.452 544 HA THR 15 HA THR 15 9.495 -7.284 7.407 545 HB THR 15 HB THR 15 7.498 -5.504 8.854 546 HG1 THR 15 1HG THR 15 9.213 -4.293 8.118 547 1HG2 THR 15 1HG2 THR 15 8.014 -7.641 10.027 548 2HG2 THR 15 2HG2 THR 15 9.748 -7.300 9.872 549 3HG2 THR 15 3HG2 THR 15 8.720 -6.239 10.859 550 H LEU 16 H LEU 16 6.081 -6.600 6.661 551 HA LEU 16 HA LEU 16 4.958 -9.037 7.611 552 1HB LEU 16 1HB LEU 16 3.807 -6.881 6.831 553 2HB LEU 16 2HB LEU 16 3.986 -7.455 5.185 554 HG LEU 16 HG LEU 16 2.662 -9.177 7.316 555 1HD1 LEU 16 1HD1 LEU 16 0.506 -8.214 6.704 556 2HD1 LEU 16 2HD1 LEU 16 1.560 -6.953 7.352 557 3HD1 LEU 16 3HD1 LEU 16 1.297 -7.064 5.601 558 1HD2 LEU 16 1HD2 LEU 16 2.296 -8.964 4.285 559 2HD2 LEU 16 2HD2 LEU 16 3.138 -10.278 5.124 560 3HD2 LEU 16 3HD2 LEU 16 1.403 -10.057 5.360 561 H ARG 17 H ARG 17 6.163 -8.082 4.359 562 HA ARG 17 HA ARG 17 5.909 -10.577 3.099 563 1HB ARG 17 1HB ARG 17 6.505 -8.401 2.016 564 2HB ARG 17 2HB ARG 17 8.161 -8.572 2.628 565 1HG ARG 17 1HG ARG 17 8.374 -10.749 1.422 566 2HG ARG 17 2HG ARG 17 6.701 -10.569 0.874 567 1HD ARG 17 1HD ARG 17 8.959 -8.651 0.194 568 2HD ARG 17 2HD ARG 17 8.404 -9.949 -0.861 569 HE ARG 17 HE ARG 17 7.151 -7.373 -0.431 570 1HH1 ARG 17 1HH1 ARG 17 6.327 -10.748 -1.224 571 2HH1 ARG 17 2HH1 ARG 17 4.924 -10.279 -2.144 572 1HH2 ARG 17 1HH2 ARG 17 5.318 -6.843 -1.581 573 2HH2 ARG 17 2HH2 ARG 17 4.330 -8.081 -2.322 574 H LYS 18 H LYS 18 8.748 -9.358 4.972 575 HA LYS 18 HA LYS 18 10.274 -11.761 4.857 576 1HB LYS 18 1HB LYS 18 10.110 -9.592 6.983 577 2HB LYS 18 2HB LYS 18 11.222 -10.962 7.070 578 1HG LYS 18 1HG LYS 18 12.212 -10.349 4.903 579 2HG LYS 18 2HG LYS 18 11.127 -8.947 4.788 580 1HD LYS 18 1HD LYS 18 12.130 -7.925 6.763 581 2HD LYS 18 2HD LYS 18 13.013 -9.410 7.149 582 1HE LYS 18 1HE LYS 18 14.543 -7.781 6.163 583 2HE LYS 18 2HE LYS 18 14.379 -9.196 5.112 584 1HZ LYS 18 1HZ LYS 18 14.283 -7.170 3.876 585 2HZ LYS 18 2HZ LYS 18 12.828 -7.939 3.785 586 3HZ LYS 18 3HZ LYS 18 13.006 -6.624 4.763 587 H CYS 19 H CYS 19 8.037 -10.792 7.523 588 HA CYS 19 HA CYS 19 8.150 -13.114 9.057 589 1HB CYS 19 1HB CYS 19 7.033 -11.126 9.820 590 2HB CYS 19 2HB CYS 19 5.851 -11.218 8.512 591 H LYS 20 H LYS 20 5.964 -12.520 6.270 592 HA LYS 20 HA LYS 20 4.887 -15.268 6.421 593 1HB LYS 20 1HB LYS 20 4.382 -13.054 4.406 594 2HB LYS 20 2HB LYS 20 3.442 -14.539 4.601 595 1HG LYS 20 1HG LYS 20 3.656 -12.250 6.599 596 2HG LYS 20 2HG LYS 20 2.269 -12.669 5.588 597 1HD LYS 20 1HD LYS 20 2.171 -14.913 6.767 598 2HD LYS 20 2HD LYS 20 3.419 -14.330 7.885 599 1HE LYS 20 1HE LYS 20 0.682 -13.041 7.450 600 2HE LYS 20 2HE LYS 20 1.150 -14.056 8.826 601 1HZ LYS 20 1HZ LYS 20 1.325 -11.759 9.371 602 2HZ LYS 20 2HZ LYS 20 2.828 -12.437 9.370 603 3HZ LYS 20 3HZ LYS 20 2.356 -11.476 8.118 604 H ILE 21 H ILE 21 7.804 -14.253 5.310 605 HA ILE 21 HA ILE 21 9.350 -15.066 3.950 606 HB ILE 21 HB ILE 21 7.528 -17.391 3.232 607 1HG1 ILE 21 1HG1 ILE 21 7.622 -17.371 5.646 608 2HG1 ILE 21 2HG1 ILE 21 8.613 -18.671 5.005 609 1HG2 ILE 21 1HG2 ILE 21 9.686 -18.560 2.871 610 2HG2 ILE 21 2HG2 ILE 21 9.431 -17.210 1.761 611 3HG2 ILE 21 3HG2 ILE 21 10.542 -17.025 3.129 612 1HD1 ILE 21 1HD1 ILE 21 9.642 -16.014 6.081 613 2HD1 ILE 21 2HD1 ILE 21 9.722 -17.585 6.885 614 3HD1 ILE 21 3HD1 ILE 21 10.665 -17.309 5.412 615 H ILE 22 H ILE 22 6.273 -15.693 2.233 616 HA ILE 22 HA ILE 22 7.409 -14.845 -0.327 617 HB ILE 22 HB ILE 22 5.224 -15.298 -1.249 618 1HG1 ILE 22 1HG1 ILE 22 4.277 -15.843 1.607 619 2HG1 ILE 22 2HG1 ILE 22 3.772 -14.496 0.579 620 1HG2 ILE 22 1HG2 ILE 22 6.902 -17.117 -0.784 621 2HG2 ILE 22 2HG2 ILE 22 5.998 -17.516 0.691 622 3HG2 ILE 22 3HG2 ILE 22 5.237 -17.685 -0.904 623 1HD1 ILE 22 1HD1 ILE 22 3.202 -17.437 0.094 624 2HD1 ILE 22 2HD1 ILE 22 2.059 -16.156 0.514 625 3HD1 ILE 22 3HD1 ILE 22 2.855 -16.136 -1.073 626 1H ASN 1 1H ASN 1 -9.257 20.012 21.429 627 2H ASN 1 2H ASN 1 -7.846 19.253 21.804 628 3H ASN 1 3H ASN 1 -7.949 20.176 20.443 629 HA ASN 1 HA ASN 1 -9.442 17.705 20.948 630 1HB ASN 1 1HB ASN 1 -10.651 19.411 19.611 631 2HB ASN 1 2HB ASN 1 -9.352 19.396 18.417 632 1HD2 ASN 1 1HD2 ASN 1 -8.839 17.080 17.537 633 2HD2 ASN 1 2HD2 ASN 1 -10.271 16.094 17.198 634 H LEU 2 H LEU 2 -7.378 16.716 21.530 635 HA LEU 2 HA LEU 2 -5.182 16.523 19.738 636 1HB LEU 2 1HB LEU 2 -5.086 15.981 22.138 637 2HB LEU 2 2HB LEU 2 -6.183 14.618 21.888 638 HG LEU 2 HG LEU 2 -4.470 13.484 20.486 639 1HD1 LEU 2 1HD1 LEU 2 -2.716 15.870 21.246 640 2HD1 LEU 2 2HD1 LEU 2 -2.131 14.362 20.516 641 3HD1 LEU 2 3HD1 LEU 2 -3.206 15.417 19.599 642 1HD2 LEU 2 1HD2 LEU 2 -2.919 12.977 22.349 643 2HD2 LEU 2 2HD2 LEU 2 -3.500 14.407 23.223 644 3HD2 LEU 2 3HD2 LEU 2 -4.601 13.051 22.902 645 H VAL 3 H VAL 3 -4.738 15.148 18.051 646 HA VAL 3 HA VAL 3 -6.947 13.898 16.690 647 HB VAL 3 HB VAL 3 -5.252 13.373 14.956 648 1HG1 VAL 3 1HG1 VAL 3 -5.301 16.254 15.944 649 2HG1 VAL 3 2HG1 VAL 3 -4.918 15.705 14.300 650 3HG1 VAL 3 3HG1 VAL 3 -6.546 15.463 14.955 651 1HG2 VAL 3 1HG2 VAL 3 -3.016 14.332 15.089 652 2HG2 VAL 3 2HG2 VAL 3 -3.287 14.915 16.730 653 3HG2 VAL 3 3HG2 VAL 3 -3.207 13.174 16.409 654 H SER 4 H SER 4 -7.320 12.555 18.647 655 HA SER 4 HA SER 4 -6.198 10.291 19.596 656 1HB SER 4 1HB SER 4 -8.516 9.414 19.795 657 2HB SER 4 2HB SER 4 -8.385 11.129 20.236 658 HG SER 4 HG SER 4 -10.161 10.809 18.824 659 H GLY 5 H GLY 5 -8.369 10.086 16.812 660 1HA GLY 5 1HA GLY 5 -7.929 7.544 15.872 661 2HA GLY 5 2HA GLY 5 -8.224 8.910 14.788 662 H LEU 6 H LEU 6 -5.793 10.351 15.071 663 HA LEU 6 HA LEU 6 -4.199 8.798 13.217 664 1HB LEU 6 1HB LEU 6 -4.507 11.199 12.954 665 2HB LEU 6 2HB LEU 6 -3.718 11.506 14.506 666 HG LEU 6 HG LEU 6 -1.578 10.702 13.653 667 1HD1 LEU 6 1HD1 LEU 6 -2.245 8.942 12.090 668 2HD1 LEU 6 2HD1 LEU 6 -3.080 10.128 11.055 669 3HD1 LEU 6 3HD1 LEU 6 -1.312 10.164 11.229 670 1HD2 LEU 6 1HD2 LEU 6 -1.207 12.457 11.935 671 2HD2 LEU 6 2HD2 LEU 6 -2.959 12.643 11.747 672 3HD2 LEU 6 3HD2 LEU 6 -2.177 13.056 13.288 673 H ILE 7 H ILE 7 -3.645 10.018 16.582 674 HA ILE 7 HA ILE 7 -1.087 8.694 16.786 675 HB ILE 7 HB ILE 7 -1.185 9.025 19.159 676 1HG1 ILE 7 1HG1 ILE 7 -3.993 10.123 18.766 677 2HG1 ILE 7 2HG1 ILE 7 -3.605 8.588 19.566 678 1HG2 ILE 7 1HG2 ILE 7 -1.100 11.436 19.098 679 2HG2 ILE 7 2HG2 ILE 7 -0.545 10.834 17.537 680 3HG2 ILE 7 3HG2 ILE 7 -2.185 11.492 17.695 681 1HD1 ILE 7 1HD1 ILE 7 -3.996 10.242 21.256 682 2HD1 ILE 7 2HD1 ILE 7 -2.263 9.857 21.259 683 3HD1 ILE 7 3HD1 ILE 7 -2.848 11.369 20.522 684 H GLU 8 H GLU 8 -4.375 7.545 17.542 685 HA GLU 8 HA GLU 8 -3.649 4.986 18.551 686 1HB GLU 8 1HB GLU 8 -5.864 6.107 18.687 687 2HB GLU 8 2HB GLU 8 -6.137 5.781 16.975 688 1HG GLU 8 1HG GLU 8 -5.630 3.661 19.134 689 2HG GLU 8 2HG GLU 8 -7.230 4.167 18.583 690 H ALA 9 H ALA 9 -4.418 6.025 15.172 691 HA ALA 9 HA ALA 9 -3.911 3.628 13.854 692 1HB ALA 9 1HB ALA 9 -4.863 5.604 12.778 693 2HB ALA 9 2HB ALA 9 -3.283 6.413 12.833 694 3HB ALA 9 3HB ALA 9 -3.496 4.944 11.867 695 H ARG 10 H ARG 10 -1.535 6.203 14.586 696 HA ARG 10 HA ARG 10 0.784 4.848 13.648 697 1HB ARG 10 1HB ARG 10 0.416 6.943 15.812 698 2HB ARG 10 2HB ARG 10 1.995 6.404 15.217 699 1HG ARG 10 1HG ARG 10 1.498 7.143 12.961 700 2HG ARG 10 2HG ARG 10 -0.172 7.543 13.391 701 1HD ARG 10 1HD ARG 10 0.636 9.247 14.992 702 2HD ARG 10 2HD ARG 10 2.314 8.871 14.525 703 HE ARG 10 HE ARG 10 0.806 9.443 12.177 704 1HH1 ARG 10 1HH1 ARG 10 2.101 11.175 14.994 705 2HH1 ARG 10 2HH1 ARG 10 2.335 12.650 14.049 706 1HH2 ARG 10 1HH2 ARG 10 1.080 11.384 11.091 707 2HH2 ARG 10 2HH2 ARG 10 1.736 12.787 11.959 708 H LYS 11 H LYS 11 -0.639 4.832 16.976 709 HA LYS 11 HA LYS 11 1.310 3.123 18.142 710 1HB LYS 11 1HB LYS 11 -1.612 3.619 18.777 711 2HB LYS 11 2HB LYS 11 -0.602 2.523 19.730 712 1HG LYS 11 1HG LYS 11 0.966 4.294 20.273 713 2HG LYS 11 2HG LYS 11 0.109 5.437 19.227 714 1HD LYS 11 1HD LYS 11 -1.929 5.221 20.644 715 2HD LYS 11 2HD LYS 11 -1.106 4.021 21.651 716 1HE LYS 11 1HE LYS 11 -1.043 6.163 22.790 717 2HE LYS 11 2HE LYS 11 0.602 5.739 22.287 718 1HZ LYS 11 1HZ LYS 11 0.326 7.203 20.412 719 2HZ LYS 11 2HZ LYS 11 -1.211 7.572 20.872 720 3HZ LYS 11 3HZ LYS 11 0.063 8.021 21.817 721 H TYR 12 H TYR 12 -1.845 2.160 16.580 722 HA TYR 12 HA TYR 12 -1.200 -0.616 16.979 723 1HB TYR 12 1HB TYR 12 -3.116 -1.223 16.072 724 2HB TYR 12 2HB TYR 12 -3.515 0.402 16.589 725 HD1 TYR 12 1HD TYR 12 -2.427 -1.644 13.613 726 HD2 TYR 12 2HD TYR 12 -4.688 1.731 15.035 727 HE1 TYR 12 1HE TYR 12 -3.244 -1.225 11.317 728 HE2 TYR 12 2HE TYR 12 -5.562 2.103 12.737 729 HH TYR 12 HH TYR 12 -4.235 0.324 9.962 730 H LEU 13 H LEU 13 -0.637 1.566 14.181 731 HA LEU 13 HA LEU 13 0.498 -0.278 12.389 732 1HB LEU 13 1HB LEU 13 0.045 2.142 12.008 733 2HB LEU 13 2HB LEU 13 1.471 2.567 12.935 734 HG LEU 13 HG LEU 13 1.577 0.794 10.455 735 1HD1 LEU 13 1HD1 LEU 13 2.158 2.830 9.191 736 2HD1 LEU 13 2HD1 LEU 13 0.528 2.947 9.867 737 3HD1 LEU 13 3HD1 LEU 13 1.868 3.821 10.639 738 1HD2 LEU 13 1HD2 LEU 13 3.917 1.727 10.323 739 2HD2 LEU 13 2HD2 LEU 13 3.684 2.455 11.923 740 3HD2 LEU 13 3HD2 LEU 13 3.678 0.689 11.714 741 H GLU 14 H GLU 14 2.232 1.613 14.909 742 HA GLU 14 HA GLU 14 4.754 0.411 14.728 743 1HB GLU 14 1HB GLU 14 4.253 2.418 16.055 744 2HB GLU 14 2HB GLU 14 3.276 1.460 17.169 745 1HG GLU 14 1HG GLU 14 5.383 0.078 17.684 746 2HG GLU 14 2HG GLU 14 6.288 1.230 16.696 747 H GLN 15 H GLN 15 2.094 -0.575 16.971 748 HA GLN 15 HA GLN 15 3.490 -2.825 18.029 749 1HB GLN 15 1HB GLN 15 0.670 -1.822 18.024 750 2HB GLN 15 2HB GLN 15 0.897 -3.523 18.411 751 1HG GLN 15 1HG GLN 15 0.910 -1.907 20.393 752 2HG GLN 15 2HG GLN 15 2.191 -3.117 20.298 753 1HE2 GLN 15 1HE2 GLN 15 1.740 0.272 19.015 754 2HE2 GLN 15 2HE2 GLN 15 3.313 0.796 19.612 755 H LEU 16 H LEU 16 1.217 -2.717 15.273 756 HA LEU 16 HA LEU 16 1.250 -5.522 14.758 757 1HB LEU 16 1HB LEU 16 -0.316 -3.644 13.968 758 2HB LEU 16 2HB LEU 16 0.829 -3.364 12.655 759 HG LEU 16 HG LEU 16 -0.591 -6.004 13.309 760 1HD1 LEU 16 1HD1 LEU 16 -1.265 -3.878 11.235 761 2HD1 LEU 16 2HD1 LEU 16 -2.072 -5.453 11.414 762 3HD1 LEU 16 3HD1 LEU 16 -2.201 -4.242 12.700 763 1HD2 LEU 16 1HD2 LEU 16 -0.009 -6.577 10.931 764 2HD2 LEU 16 2HD2 LEU 16 1.010 -5.123 10.867 765 3HD2 LEU 16 3HD2 LEU 16 1.390 -6.446 11.995 766 H HIS 17 H HIS 17 3.189 -2.842 13.294 767 HA HIS 17 HA HIS 17 4.926 -4.430 11.715 768 1HB HIS 17 1HB HIS 17 4.694 -1.960 11.640 769 2HB HIS 17 2HB HIS 17 5.529 -1.838 13.186 770 HD1 HIS 17 1HD HIS 17 7.702 -4.249 11.970 771 HD2 HIS 17 2HD HIS 17 6.729 -0.347 10.714 772 HE1 HIS 17 1HE HIS 17 9.729 -3.357 10.699 773 H ARG 18 H ARG 18 5.204 -3.483 15.154 774 HA ARG 18 HA ARG 18 7.741 -4.644 15.670 775 1HB ARG 18 1HB ARG 18 6.655 -2.929 17.007 776 2HB ARG 18 2HB ARG 18 5.403 -4.064 17.523 777 1HG ARG 18 1HG ARG 18 6.977 -5.365 18.796 778 2HG ARG 18 2HG ARG 18 8.360 -4.483 18.115 779 1HD ARG 18 1HD ARG 18 6.135 -3.164 19.731 780 2HD ARG 18 2HD ARG 18 7.653 -3.730 20.443 781 HE ARG 18 HE ARG 18 8.712 -2.222 18.573 782 1HH1 ARG 18 1HH1 ARG 18 5.788 -1.241 20.429 783 2HH1 ARG 18 2HH1 ARG 18 6.348 0.402 20.511 784 1HH2 ARG 18 1HH2 ARG 18 9.167 -0.050 18.520 785 2HH2 ARG 18 2HH2 ARG 18 8.048 1.108 19.209 786 H LYS 19 H LYS 19 4.427 -6.024 16.090 787 HA LYS 19 HA LYS 19 5.265 -8.609 16.932 788 1HB LYS 19 1HB LYS 19 2.962 -7.911 17.102 789 2HB LYS 19 2HB LYS 19 2.834 -7.685 15.357 790 1HG LYS 19 1HG LYS 19 1.724 -9.722 16.067 791 2HG LYS 19 2HG LYS 19 3.045 -10.094 14.962 792 1HD LYS 19 1HD LYS 19 4.494 -10.738 16.886 793 2HD LYS 19 2HD LYS 19 3.195 -10.322 18.016 794 1HE LYS 19 1HE LYS 19 3.049 -12.465 15.832 795 2HE LYS 19 2HE LYS 19 3.405 -12.774 17.538 796 1HZ LYS 19 1HZ LYS 19 1.119 -13.154 17.074 797 2HZ LYS 19 2HZ LYS 19 1.262 -11.869 18.094 798 3HZ LYS 19 3HZ LYS 19 0.910 -11.625 16.503 799 H LEU 20 H LEU 20 4.603 -7.391 13.594 800 HA LEU 20 HA LEU 20 5.460 -9.769 12.253 801 1HB LEU 20 1HB LEU 20 5.446 -6.878 11.336 802 2HB LEU 20 2HB LEU 20 5.728 -8.260 10.270 803 HG LEU 20 HG LEU 20 3.173 -7.919 11.898 804 1HD1 LEU 20 1HD1 LEU 20 2.211 -7.214 9.682 805 2HD1 LEU 20 2HD1 LEU 20 3.397 -6.063 10.334 806 3HD1 LEU 20 3HD1 LEU 20 3.865 -7.172 9.035 807 1HD2 LEU 20 1HD2 LEU 20 2.279 -9.542 10.232 808 2HD2 LEU 20 2HD2 LEU 20 3.920 -9.764 9.591 809 3HD2 LEU 20 3HD2 LEU 20 3.531 -10.246 11.256 810 H LYS 21 H LYS 21 7.410 -7.055 13.503 811 HA LYS 21 HA LYS 21 9.887 -7.988 12.369 812 1HB LYS 21 1HB LYS 21 9.532 -5.741 13.375 813 2HB LYS 21 2HB LYS 21 9.448 -6.480 14.979 814 1HG LYS 21 1HG LYS 21 11.745 -7.412 14.638 815 2HG LYS 21 2HG LYS 21 11.820 -6.561 13.078 816 1HD LYS 21 1HD LYS 21 11.386 -4.400 14.322 817 2HD LYS 21 2HD LYS 21 11.500 -5.300 15.843 818 1HE LYS 21 1HE LYS 21 13.697 -5.006 13.733 819 2HE LYS 21 2HE LYS 21 13.639 -4.198 15.308 820 1HZ LYS 21 1HZ LYS 21 15.050 -6.076 15.415 821 2HZ LYS 21 2HZ LYS 21 13.709 -6.406 16.317 822 3HZ LYS 21 3HZ LYS 21 13.892 -7.081 14.820 823 H ASN 22 H ASN 22 8.576 -8.439 15.679 824 HA ASN 22 HA ASN 22 10.474 -10.321 16.580 825 1HB ASN 22 1HB ASN 22 7.602 -9.763 17.403 826 2HB ASN 22 2HB ASN 22 8.582 -11.007 18.188 827 1HD2 ASN 22 1HD2 ASN 22 8.429 -7.472 17.576 828 2HD2 ASN 22 2HD2 ASN 22 9.509 -7.099 18.923 829 H CYS 23 H CYS 23 7.537 -10.962 14.702 830 HA CYS 23 HA CYS 23 7.318 -13.715 14.679 831 1HB CYS 23 1HB CYS 23 5.876 -12.284 13.377 832 2HB CYS 23 2HB CYS 23 7.249 -11.716 12.426 833 H LYS 24 H LYS 24 9.980 -11.873 13.143 834 HA LYS 24 HA LYS 24 11.391 -14.424 12.567 835 1HB LYS 24 1HB LYS 24 9.804 -14.054 10.677 836 2HB LYS 24 2HB LYS 24 10.608 -12.513 10.333 837 1HG LYS 24 1HG LYS 24 12.753 -13.772 9.950 838 2HG LYS 24 2HG LYS 24 11.891 -15.288 10.280 839 1HD LYS 24 1HD LYS 24 10.332 -14.773 8.380 840 2HD LYS 24 2HD LYS 24 11.256 -13.304 8.042 841 1HE LYS 24 1HE LYS 24 12.336 -16.160 7.925 842 2HE LYS 24 2HE LYS 24 11.892 -15.154 6.535 843 1HZ LYS 24 1HZ LYS 24 14.225 -15.092 6.906 844 2HZ LYS 24 2HZ LYS 24 13.585 -13.599 7.189 845 3HZ LYS 24 3HZ LYS 24 14.031 -14.559 8.452 846 H VAL 25 H VAL 25 11.500 -10.870 12.487 847 HA VAL 25 HA VAL 25 14.485 -10.957 12.383 848 HB VAL 25 HB VAL 25 13.467 -10.631 10.167 849 1HG1 VAL 25 1HG1 VAL 25 12.394 -7.976 11.193 850 2HG1 VAL 25 2HG1 VAL 25 12.352 -8.576 9.532 851 3HG1 VAL 25 3HG1 VAL 25 11.417 -9.402 10.785 852 1HG2 VAL 25 1HG2 VAL 25 14.979 -8.135 10.995 853 2HG2 VAL 25 2HG2 VAL 25 15.713 -9.726 10.701 854 3HG2 VAL 25 3HG2 VAL 25 14.862 -8.880 9.400 Start of MODEL 4 1 1H GLU 1 1H GLU 1 7.592 13.664 8.137 2 2H GLU 1 2H GLU 1 6.911 12.220 7.731 3 3H GLU 1 3H GLU 1 6.712 12.825 9.251 4 HA GLU 1 HA GLU 1 5.491 14.676 8.444 5 1HB GLU 1 1HB GLU 1 4.752 14.696 6.071 6 2HB GLU 1 2HB GLU 1 6.469 14.975 6.306 7 1HG GLU 1 1HG GLU 1 7.137 12.945 5.406 8 2HG GLU 1 2HG GLU 1 5.627 12.116 5.760 9 H ASN 2 H ASN 2 3.737 12.883 6.225 10 HA ASN 2 HA ASN 2 1.852 11.714 6.261 11 1HB ASN 2 1HB ASN 2 2.985 9.847 7.095 12 2HB ASN 2 2HB ASN 2 3.079 10.485 8.742 13 1HD2 ASN 2 1HD2 ASN 2 0.536 9.659 6.288 14 2HD2 ASN 2 2HD2 ASN 2 -0.661 9.296 7.536 15 H ARG 3 H ARG 3 2.264 13.013 9.580 16 HA ARG 3 HA ARG 3 0.957 14.351 10.815 17 1HB ARG 3 1HB ARG 3 0.534 15.430 8.552 18 2HB ARG 3 2HB ARG 3 -1.053 14.666 8.549 19 1HG ARG 3 1HG ARG 3 -0.161 16.384 10.907 20 2HG ARG 3 2HG ARG 3 -0.669 17.110 9.386 21 1HD ARG 3 1HD ARG 3 -2.582 17.143 10.665 22 2HD ARG 3 2HD ARG 3 -2.843 15.798 9.541 23 HE ARG 3 HE ARG 3 -1.711 14.698 11.886 24 1HH1 ARG 3 1HH1 ARG 3 -4.660 16.392 10.984 25 2HH1 ARG 3 2HH1 ARG 3 -5.598 15.772 12.319 26 1HH2 ARG 3 1HH2 ARG 3 -2.886 13.856 13.552 27 2HH2 ARG 3 2HH2 ARG 3 -4.565 14.302 13.823 28 H GLU 4 H GLU 4 -1.207 12.182 8.918 29 HA GLU 4 HA GLU 4 -1.958 10.836 11.441 30 1HB GLU 4 1HB GLU 4 -4.347 10.917 10.969 31 2HB GLU 4 2HB GLU 4 -3.663 12.512 11.299 32 1HG GLU 4 1HG GLU 4 -3.665 13.058 8.892 33 2HG GLU 4 2HG GLU 4 -4.280 11.443 8.502 34 H VAL 5 H VAL 5 -2.313 8.689 11.260 35 HA VAL 5 HA VAL 5 -1.643 7.335 8.814 36 HB VAL 5 HB VAL 5 -2.940 6.300 11.359 37 1HG1 VAL 5 1HG1 VAL 5 -3.282 4.737 9.487 38 2HG1 VAL 5 2HG1 VAL 5 -1.555 4.825 9.072 39 3HG1 VAL 5 3HG1 VAL 5 -2.070 4.101 10.608 40 1HG2 VAL 5 1HG2 VAL 5 -0.026 6.425 10.464 41 2HG2 VAL 5 2HG2 VAL 5 -0.746 7.269 11.852 42 3HG2 VAL 5 3HG2 VAL 5 -0.623 5.508 11.861 43 HA PRO 6 HA PRO 6 -5.737 8.182 7.260 44 1HB PRO 6 1HB PRO 6 -5.660 7.003 4.779 45 2HB PRO 6 2HB PRO 6 -4.696 8.447 5.200 46 1HG PRO 6 1HG PRO 6 -3.786 5.551 5.291 47 2HG PRO 6 2HG PRO 6 -2.988 6.916 4.453 48 1HD PRO 6 1HD PRO 6 -2.209 6.148 6.925 49 2HD PRO 6 2HD PRO 6 -2.308 7.888 6.515 50 HA PRO 7 HA PRO 7 -8.205 4.659 8.436 51 1HB PRO 7 1HB PRO 7 -10.539 5.025 7.020 52 2HB PRO 7 2HB PRO 7 -10.049 6.029 8.413 53 1HG PRO 7 1HG PRO 7 -9.629 6.643 5.474 54 2HG PRO 7 2HG PRO 7 -10.342 7.707 6.722 55 1HD PRO 7 1HD PRO 7 -7.749 7.945 6.038 56 2HD PRO 7 2HD PRO 7 -8.214 8.043 7.761 57 H GLY 8 H GLY 8 -7.597 5.256 5.017 58 1HA GLY 8 1HA GLY 8 -8.107 2.826 3.761 59 2HA GLY 8 2HA GLY 8 -6.685 3.837 3.468 60 H PHE 9 H PHE 9 -5.493 3.564 6.127 61 HA PHE 9 HA PHE 9 -4.067 1.089 5.843 62 1HB PHE 9 1HB PHE 9 -3.075 3.018 6.970 63 2HB PHE 9 2HB PHE 9 -4.363 3.016 8.175 64 HD1 PHE 9 1HD PHE 9 -2.047 0.419 6.759 65 HD2 PHE 9 2HD PHE 9 -3.743 2.221 10.284 66 HE1 PHE 9 1HE PHE 9 -0.800 -1.184 8.177 67 HE2 PHE 9 2HE PHE 9 -2.457 0.647 11.703 68 HZ PHE 9 HZ PHE 9 -1.037 -1.097 10.658 69 H THR 10 H THR 10 -6.639 2.113 8.170 70 HA THR 10 HA THR 10 -6.870 -0.350 9.536 71 HB THR 10 HB THR 10 -9.105 1.657 8.996 72 HG1 THR 10 1HG THR 10 -7.052 1.723 10.949 73 1HG2 THR 10 1HG2 THR 10 -9.806 1.019 11.279 74 2HG2 THR 10 2HG2 THR 10 -9.796 -0.400 10.215 75 3HG2 THR 10 3HG2 THR 10 -8.477 -0.152 11.381 76 H ALA 11 H ALA 11 -8.646 0.907 6.687 77 HA ALA 11 HA ALA 11 -10.327 -1.353 6.257 78 1HB ALA 11 1HB ALA 11 -10.678 -0.417 4.054 79 2HB ALA 11 2HB ALA 11 -10.613 0.896 5.239 80 3HB ALA 11 3HB ALA 11 -9.214 0.583 4.190 81 H LEU 12 H LEU 12 -7.128 -0.583 4.799 82 HA LEU 12 HA LEU 12 -6.721 -2.936 3.335 83 1HB LEU 12 1HB LEU 12 -5.332 -0.983 3.135 84 2HB LEU 12 2HB LEU 12 -4.753 -1.122 4.788 85 HG LEU 12 HG LEU 12 -3.147 -1.753 3.039 86 1HD1 LEU 12 1HD1 LEU 12 -2.125 -3.558 4.136 87 2HD1 LEU 12 2HD1 LEU 12 -2.999 -2.675 5.402 88 3HD1 LEU 12 3HD1 LEU 12 -3.635 -4.204 4.755 89 1HD2 LEU 12 1HD2 LEU 12 -4.653 -2.839 1.446 90 2HD2 LEU 12 2HD2 LEU 12 -3.286 -3.879 1.878 91 3HD2 LEU 12 3HD2 LEU 12 -4.887 -4.200 2.567 92 H ILE 13 H ILE 13 -5.617 -2.306 6.724 93 HA ILE 13 HA ILE 13 -4.630 -4.893 7.247 94 HB ILE 13 HB ILE 13 -5.806 -2.753 9.039 95 1HG1 ILE 13 1HG1 ILE 13 -3.616 -2.301 7.904 96 2HG1 ILE 13 2HG1 ILE 13 -3.580 -2.263 9.666 97 1HG2 ILE 13 1HG2 ILE 13 -6.214 -4.716 10.327 98 2HG2 ILE 13 2HG2 ILE 13 -4.642 -5.420 9.903 99 3HG2 ILE 13 3HG2 ILE 13 -4.735 -3.995 10.961 100 1HD1 ILE 13 1HD1 ILE 13 -2.527 -4.510 9.714 101 2HD1 ILE 13 2HD1 ILE 13 -2.564 -4.568 7.936 102 3HD1 ILE 13 3HD1 ILE 13 -1.586 -3.359 8.768 103 H LYS 14 H LYS 14 -7.953 -3.676 7.929 104 HA LYS 14 HA LYS 14 -9.021 -6.079 8.942 105 1HB LYS 14 1HB LYS 14 -10.072 -3.853 8.950 106 2HB LYS 14 2HB LYS 14 -10.375 -3.975 7.204 107 1HG LYS 14 1HG LYS 14 -11.726 -6.096 7.726 108 2HG LYS 14 2HG LYS 14 -11.554 -5.684 9.434 109 1HD LYS 14 1HD LYS 14 -12.921 -4.017 7.255 110 2HD LYS 14 2HD LYS 14 -13.699 -4.939 8.540 111 1HE LYS 14 1HE LYS 14 -13.807 -2.798 9.406 112 2HE LYS 14 2HE LYS 14 -12.337 -3.403 10.183 113 1HZ LYS 14 1HZ LYS 14 -12.485 -1.727 7.761 114 2HZ LYS 14 2HZ LYS 14 -12.072 -1.206 9.268 115 3HZ LYS 14 3HZ LYS 14 -11.088 -2.246 8.457 116 H THR 15 H THR 15 -8.956 -4.951 5.536 117 HA THR 15 HA THR 15 -10.198 -7.251 4.408 118 HB THR 15 HB THR 15 -8.221 -5.360 3.062 119 HG1 THR 15 1HG THR 15 -9.876 -4.164 3.956 120 1HG2 THR 15 1HG2 THR 15 -10.567 -6.983 1.967 121 2HG2 THR 15 2HG2 THR 15 -9.504 -5.902 1.043 122 3HG2 THR 15 3HG2 THR 15 -8.857 -7.398 1.748 123 H LEU 16 H LEU 16 -6.742 -6.489 4.872 124 HA LEU 16 HA LEU 16 -5.611 -8.795 3.674 125 1HB LEU 16 1HB LEU 16 -4.515 -6.627 4.417 126 2HB LEU 16 2HB LEU 16 -4.511 -7.236 6.062 127 HG LEU 16 HG LEU 16 -3.202 -8.707 3.723 128 1HD1 LEU 16 1HD1 LEU 16 -1.083 -7.664 4.449 129 2HD1 LEU 16 2HD1 LEU 16 -2.244 -6.445 3.904 130 3HD1 LEU 16 3HD1 LEU 16 -1.968 -6.688 5.642 131 1HD2 LEU 16 1HD2 LEU 16 -2.838 -8.887 6.753 132 2HD2 LEU 16 2HD2 LEU 16 -3.449 -10.165 5.677 133 3HD2 LEU 16 3HD2 LEU 16 -1.772 -9.659 5.563 134 H ARG 17 H ARG 17 -6.431 -8.139 7.103 135 HA ARG 17 HA ARG 17 -5.825 -10.658 8.184 136 1HB ARG 17 1HB ARG 17 -6.416 -8.485 9.383 137 2HB ARG 17 2HB ARG 17 -8.110 -8.844 9.039 138 1HG ARG 17 1HG ARG 17 -7.114 -11.238 10.131 139 2HG ARG 17 2HG ARG 17 -6.241 -10.004 11.030 140 1HD ARG 17 1HD ARG 17 -8.286 -10.513 12.243 141 2HD ARG 17 2HD ARG 17 -8.443 -8.894 11.559 142 HE ARG 17 HE ARG 17 -10.196 -9.630 10.243 143 1HH1 ARG 17 1HH1 ARG 17 -8.412 -12.490 11.333 144 2HH1 ARG 17 2HH1 ARG 17 -9.451 -13.596 10.459 145 1HH2 ARG 17 1HH2 ARG 17 -11.596 -11.105 9.263 146 2HH2 ARG 17 2HH2 ARG 17 -11.297 -12.826 9.403 147 H LYS 18 H LYS 18 -8.948 -9.499 6.782 148 HA LYS 18 HA LYS 18 -10.369 -11.924 7.040 149 1HB LYS 18 1HB LYS 18 -11.214 -9.587 6.303 150 2HB LYS 18 2HB LYS 18 -10.700 -10.062 4.677 151 1HG LYS 18 1HG LYS 18 -12.101 -12.277 5.268 152 2HG LYS 18 2HG LYS 18 -12.872 -11.208 6.443 153 1HD LYS 18 1HD LYS 18 -13.363 -9.601 4.527 154 2HD LYS 18 2HD LYS 18 -12.658 -10.801 3.419 155 1HE LYS 18 1HE LYS 18 -14.342 -12.491 4.300 156 2HE LYS 18 2HE LYS 18 -15.118 -11.167 5.192 157 1HZ LYS 18 1HZ LYS 18 -15.398 -10.063 3.038 158 2HZ LYS 18 2HZ LYS 18 -14.755 -11.390 2.285 159 3HZ LYS 18 3HZ LYS 18 -16.177 -11.517 3.108 160 H CYS 19 H CYS 19 -8.526 -10.808 4.133 161 HA CYS 19 HA CYS 19 -8.787 -13.139 2.573 162 1HB CYS 19 1HB CYS 19 -7.888 -11.046 1.713 163 2HB CYS 19 2HB CYS 19 -6.480 -11.188 2.771 164 H LYS 20 H LYS 20 -6.324 -12.411 5.041 165 HA LYS 20 HA LYS 20 -4.930 -14.926 4.800 166 1HB LYS 20 1HB LYS 20 -3.910 -12.801 5.515 167 2HB LYS 20 2HB LYS 20 -4.943 -12.767 6.940 168 1HG LYS 20 1HG LYS 20 -2.631 -13.436 7.446 169 2HG LYS 20 2HG LYS 20 -3.813 -14.631 7.933 170 1HD LYS 20 1HD LYS 20 -1.874 -15.743 6.973 171 2HD LYS 20 2HD LYS 20 -3.276 -16.031 5.960 172 1HE LYS 20 1HE LYS 20 -1.332 -15.588 4.569 173 2HE LYS 20 2HE LYS 20 -2.471 -14.252 4.368 174 1HZ LYS 20 1HZ LYS 20 -0.161 -13.578 4.661 175 2HZ LYS 20 2HZ LYS 20 -1.138 -12.958 5.843 176 3HZ LYS 20 3HZ LYS 20 -0.143 -14.234 6.168 177 H ILE 21 H ILE 21 -8.005 -14.344 6.046 178 HA ILE 21 HA ILE 21 -9.476 -15.539 7.185 179 HB ILE 21 HB ILE 21 -7.430 -17.762 7.530 180 1HG1 ILE 21 1HG1 ILE 21 -7.597 -17.327 5.146 181 2HG1 ILE 21 2HG1 ILE 21 -8.416 -18.823 5.570 182 1HG2 ILE 21 1HG2 ILE 21 -9.463 -19.179 7.693 183 2HG2 ILE 21 2HG2 ILE 21 -9.294 -18.027 9.023 184 3HG2 ILE 21 3HG2 ILE 21 -10.459 -17.708 7.727 185 1HD1 ILE 21 1HD1 ILE 21 -9.704 -17.594 3.926 186 2HD1 ILE 21 2HD1 ILE 21 -10.621 -17.649 5.438 187 3HD1 ILE 21 3HD1 ILE 21 -9.771 -16.159 4.958 188 H ILE 22 H ILE 22 -6.345 -16.041 8.813 189 HA ILE 22 HA ILE 22 -7.557 -15.415 11.451 190 HB ILE 22 HB ILE 22 -5.399 -16.000 12.386 191 1HG1 ILE 22 1HG1 ILE 22 -4.504 -16.669 9.540 192 2HG1 ILE 22 2HG1 ILE 22 -3.898 -15.331 10.528 193 1HG2 ILE 22 1HG2 ILE 22 -5.609 -18.385 12.032 194 2HG2 ILE 22 2HG2 ILE 22 -7.220 -17.674 11.942 195 3HG2 ILE 22 3HG2 ILE 22 -6.378 -18.140 10.451 196 1HD1 ILE 22 1HD1 ILE 22 -2.312 -17.106 10.648 197 2HD1 ILE 22 2HD1 ILE 22 -3.105 -16.980 12.231 198 3HD1 ILE 22 3HD1 ILE 22 -3.544 -18.288 11.104 199 1H ASN 1 1H ASN 1 12.058 16.008 3.274 200 2H ASN 1 2H ASN 1 13.299 16.279 2.214 201 3H ASN 1 3H ASN 1 13.422 15.092 3.348 202 HA ASN 1 HA ASN 1 13.009 14.093 1.285 203 1HB ASN 1 1HB ASN 1 11.215 12.680 1.908 204 2HB ASN 1 2HB ASN 1 12.005 13.175 3.400 205 1HD2 ASN 1 1HD2 ASN 1 9.108 12.337 2.586 206 2HD2 ASN 1 2HD2 ASN 1 8.119 13.623 3.262 207 H LEU 2 H LEU 2 10.402 16.380 2.060 208 HA LEU 2 HA LEU 2 9.167 17.806 0.845 209 1HB LEU 2 1HB LEU 2 11.402 17.436 -1.191 210 2HB LEU 2 2HB LEU 2 10.064 18.552 -1.406 211 HG LEU 2 HG LEU 2 12.014 19.704 -0.670 212 1HD1 LEU 2 1HD1 LEU 2 9.995 19.740 1.607 213 2HD1 LEU 2 2HD1 LEU 2 11.088 21.035 1.101 214 3HD1 LEU 2 3HD1 LEU 2 9.767 20.532 0.032 215 1HD2 LEU 2 1HD2 LEU 2 13.091 19.457 1.445 216 2HD2 LEU 2 2HD2 LEU 2 11.940 18.230 1.983 217 3HD2 LEU 2 3HD2 LEU 2 13.077 17.870 0.656 218 H VAL 3 H VAL 3 10.171 15.570 -1.775 219 HA VAL 3 HA VAL 3 7.415 14.709 -2.184 220 HB VAL 3 HB VAL 3 7.407 16.916 -3.262 221 1HG1 VAL 3 1HG1 VAL 3 8.700 17.372 -5.282 222 2HG1 VAL 3 2HG1 VAL 3 9.798 17.065 -3.928 223 3HG1 VAL 3 3HG1 VAL 3 9.530 15.811 -5.158 224 1HG2 VAL 3 1HG2 VAL 3 6.439 16.268 -5.368 225 2HG2 VAL 3 2HG2 VAL 3 7.259 14.700 -5.346 226 3HG2 VAL 3 3HG2 VAL 3 5.995 15.064 -4.147 227 H SER 4 H SER 4 7.240 12.937 -3.585 228 HA SER 4 HA SER 4 9.192 12.053 -5.355 229 1HB SER 4 1HB SER 4 10.126 10.067 -4.395 230 2HB SER 4 2HB SER 4 10.495 11.387 -3.301 231 HG SER 4 HG SER 4 8.731 10.727 -2.004 232 H GLY 5 H GLY 5 8.171 9.144 -4.301 233 1HA GLY 5 1HA GLY 5 6.194 9.054 -6.470 234 2HA GLY 5 2HA GLY 5 6.823 7.693 -5.552 235 H LEU 6 H LEU 6 5.002 10.647 -4.648 236 HA LEU 6 HA LEU 6 3.371 9.550 -2.632 237 1HB LEU 6 1HB LEU 6 3.761 11.964 -3.316 238 2HB LEU 6 2HB LEU 6 2.575 11.766 -4.592 239 HG LEU 6 HG LEU 6 1.989 11.330 -1.622 240 1HD1 LEU 6 1HD1 LEU 6 2.711 13.653 -2.063 241 2HD1 LEU 6 2HD1 LEU 6 1.501 13.784 -3.358 242 3HD1 LEU 6 3HD1 LEU 6 0.987 13.577 -1.670 243 1HD2 LEU 6 1HD2 LEU 6 -0.386 11.760 -2.367 244 2HD2 LEU 6 2HD2 LEU 6 0.165 11.627 -4.049 245 3HD2 LEU 6 3HD2 LEU 6 0.279 10.239 -2.941 246 H ILE 7 H ILE 7 2.486 10.108 -6.046 247 HA ILE 7 HA ILE 7 0.056 8.710 -6.069 248 HB ILE 7 HB ILE 7 0.199 8.641 -8.435 249 1HG1 ILE 7 1HG1 ILE 7 2.454 7.930 -8.921 250 2HG1 ILE 7 2HG1 ILE 7 2.031 9.396 -9.783 251 1HG2 ILE 7 1HG2 ILE 7 -0.407 10.733 -7.375 252 2HG2 ILE 7 2HG2 ILE 7 1.277 11.279 -7.374 253 3HG2 ILE 7 3HG2 ILE 7 0.429 11.021 -8.908 254 1HD1 ILE 7 1HD1 ILE 7 3.885 9.225 -7.376 255 2HD1 ILE 7 2HD1 ILE 7 4.309 9.555 -9.053 256 3HD1 ILE 7 3HD1 ILE 7 3.368 10.744 -8.146 257 H GLU 8 H GLU 8 3.352 7.388 -6.569 258 HA GLU 8 HA GLU 8 2.468 4.760 -7.280 259 1HB GLU 8 1HB GLU 8 4.709 5.582 -7.802 260 2HB GLU 8 2HB GLU 8 5.098 5.723 -6.082 261 1HG GLU 8 1HG GLU 8 6.067 3.680 -7.075 262 2HG GLU 8 2HG GLU 8 4.934 3.296 -5.780 263 H ALA 9 H ALA 9 3.387 6.227 -4.138 264 HA ALA 9 HA ALA 9 3.081 3.975 -2.485 265 1HB ALA 9 1HB ALA 9 2.336 6.809 -1.709 266 2HB ALA 9 2HB ALA 9 2.904 5.471 -0.686 267 3HB ALA 9 3HB ALA 9 4.001 6.223 -1.852 268 H ARG 10 H ARG 10 0.640 6.462 -3.311 269 HA ARG 10 HA ARG 10 -1.577 5.126 -2.078 270 1HB ARG 10 1HB ARG 10 -1.481 7.223 -4.273 271 2HB ARG 10 2HB ARG 10 -2.958 6.643 -3.477 272 1HG ARG 10 1HG ARG 10 -1.975 7.296 -1.252 273 2HG ARG 10 2HG ARG 10 -0.589 7.994 -2.098 274 1HD ARG 10 1HD ARG 10 -2.176 9.771 -1.562 275 2HD ARG 10 2HD ARG 10 -2.113 9.538 -3.309 276 HE ARG 10 HE ARG 10 -4.308 8.871 -3.325 277 1HH1 ARG 10 1HH1 ARG 10 -3.222 8.749 0.058 278 2HH1 ARG 10 2HH1 ARG 10 -4.814 8.338 0.646 279 1HH2 ARG 10 1HH2 ARG 10 -6.321 8.364 -2.518 280 2HH2 ARG 10 2HH2 ARG 10 -6.572 8.137 -0.803 281 H LYS 11 H LYS 11 -0.332 4.950 -5.441 282 HA LYS 11 HA LYS 11 -2.358 3.300 -6.504 283 1HB LYS 11 1HB LYS 11 -0.575 4.498 -7.752 284 2HB LYS 11 2HB LYS 11 0.593 3.277 -7.265 285 1HG LYS 11 1HG LYS 11 -1.967 2.822 -8.877 286 2HG LYS 11 2HG LYS 11 -0.379 3.081 -9.579 287 1HD LYS 11 1HD LYS 11 -1.273 0.653 -7.970 288 2HD LYS 11 2HD LYS 11 -0.928 0.734 -9.680 289 1HE LYS 11 1HE LYS 11 1.142 1.084 -7.460 290 2HE LYS 11 2HE LYS 11 0.907 -0.339 -8.474 291 1HZ LYS 11 1HZ LYS 11 1.670 2.323 -9.443 292 2HZ LYS 11 2HZ LYS 11 2.679 1.044 -9.252 293 3HZ LYS 11 3HZ LYS 11 1.472 0.978 -10.378 294 H TYR 12 H TYR 12 0.807 2.254 -4.997 295 HA TYR 12 HA TYR 12 0.073 -0.491 -5.221 296 1HB TYR 12 1HB TYR 12 2.005 -1.074 -4.327 297 2HB TYR 12 2HB TYR 12 2.417 0.558 -4.811 298 HD1 TYR 12 1HD TYR 12 3.471 1.920 -3.193 299 HD2 TYR 12 2HD TYR 12 1.312 -1.569 -1.905 300 HE1 TYR 12 1HE TYR 12 4.152 2.358 -0.822 301 HE2 TYR 12 2HE TYR 12 2.027 -1.160 0.426 302 HH TYR 12 HH TYR 12 3.035 0.283 1.840 303 H LEU 13 H LEU 13 -0.373 1.797 -2.479 304 HA LEU 13 HA LEU 13 -1.605 0.057 -0.634 305 1HB LEU 13 1HB LEU 13 -1.125 2.316 -0.022 306 2HB LEU 13 2HB LEU 13 -2.077 2.956 -1.355 307 HG LEU 13 HG LEU 13 -4.176 2.218 -0.294 308 1HD1 LEU 13 1HD1 LEU 13 -2.446 1.455 2.092 309 2HD1 LEU 13 2HD1 LEU 13 -4.215 1.429 2.015 310 3HD1 LEU 13 3HD1 LEU 13 -3.282 0.283 1.043 311 1HD2 LEU 13 1HD2 LEU 13 -4.145 3.866 1.526 312 2HD2 LEU 13 2HD2 LEU 13 -2.369 3.887 1.495 313 3HD2 LEU 13 3HD2 LEU 13 -3.293 4.475 0.096 314 H GLU 14 H GLU 14 -3.286 1.978 -3.181 315 HA GLU 14 HA GLU 14 -5.842 0.857 -2.801 316 1HB GLU 14 1HB GLU 14 -5.432 2.931 -4.009 317 2HB GLU 14 2HB GLU 14 -4.525 2.082 -5.264 318 1HG GLU 14 1HG GLU 14 -6.835 2.645 -5.983 319 2HG GLU 14 2HG GLU 14 -6.546 0.906 -6.015 320 H GLN 15 H GLN 15 -3.371 -0.075 -5.226 321 HA GLN 15 HA GLN 15 -4.742 -2.194 -6.465 322 1HB GLN 15 1HB GLN 15 -2.685 -1.100 -7.262 323 2HB GLN 15 2HB GLN 15 -1.763 -1.843 -5.943 324 1HG GLN 15 1HG GLN 15 -2.303 -4.106 -6.893 325 2HG GLN 15 2HG GLN 15 -3.210 -3.313 -8.193 326 1HE2 GLN 15 1HE2 GLN 15 0.068 -3.521 -6.698 327 2HE2 GLN 15 2HE2 GLN 15 0.901 -3.179 -8.211 328 H LEU 16 H LEU 16 -2.488 -2.335 -3.661 329 HA LEU 16 HA LEU 16 -2.684 -5.127 -3.213 330 1HB LEU 16 1HB LEU 16 -0.920 -3.672 -2.295 331 2HB LEU 16 2HB LEU 16 -2.111 -2.839 -1.290 332 HG LEU 16 HG LEU 16 -2.538 -4.950 -0.056 333 1HD1 LEU 16 1HD1 LEU 16 -0.905 -6.833 -0.318 334 2HD1 LEU 16 2HD1 LEU 16 -1.966 -6.652 -1.717 335 3HD1 LEU 16 3HD1 LEU 16 -0.290 -6.059 -1.793 336 1HD2 LEU 16 1HD2 LEU 16 -0.877 -3.306 0.745 337 2HD2 LEU 16 2HD2 LEU 16 -0.413 -4.963 1.171 338 3HD2 LEU 16 3HD2 LEU 16 0.392 -4.137 -0.181 339 H HIS 17 H HIS 17 -4.509 -2.395 -1.683 340 HA HIS 17 HA HIS 17 -6.218 -4.003 -0.099 341 1HB HIS 17 1HB HIS 17 -5.887 -1.499 -0.001 342 2HB HIS 17 2HB HIS 17 -6.938 -1.357 -1.408 343 HD1 HIS 17 1HD HIS 17 -9.033 -3.690 -0.221 344 HD2 HIS 17 2HD HIS 17 -7.568 -0.187 1.612 345 HE1 HIS 17 1HE HIS 17 -10.757 -2.997 1.535 346 H ARG 18 H ARG 18 -6.614 -2.919 -3.484 347 HA ARG 18 HA ARG 18 -9.198 -4.000 -3.934 348 1HB ARG 18 1HB ARG 18 -7.982 -2.311 -5.340 349 2HB ARG 18 2HB ARG 18 -6.956 -3.610 -5.947 350 1HG ARG 18 1HG ARG 18 -9.664 -4.510 -6.284 351 2HG ARG 18 2HG ARG 18 -9.653 -2.802 -6.724 352 1HD ARG 18 1HD ARG 18 -9.158 -4.008 -8.738 353 2HD ARG 18 2HD ARG 18 -7.648 -3.283 -8.212 354 HE ARG 18 HE ARG 18 -6.762 -5.391 -7.758 355 1HH1 ARG 18 1HH1 ARG 18 -10.259 -5.763 -8.261 356 2HH1 ARG 18 2HH1 ARG 18 -10.119 -7.514 -8.436 357 1HH2 ARG 18 1HH2 ARG 18 -6.701 -7.668 -8.021 358 2HH2 ARG 18 2HH2 ARG 18 -8.216 -8.528 -8.300 359 H LYS 19 H LYS 19 -5.943 -5.413 -4.614 360 HA LYS 19 HA LYS 19 -6.792 -7.972 -5.488 361 1HB LYS 19 1HB LYS 19 -4.536 -7.125 -5.692 362 2HB LYS 19 2HB LYS 19 -4.295 -7.126 -3.948 363 1HG LYS 19 1HG LYS 19 -4.993 -9.697 -5.430 364 2HG LYS 19 2HG LYS 19 -3.348 -9.053 -5.429 365 1HD LYS 19 1HD LYS 19 -3.332 -9.062 -2.925 366 2HD LYS 19 2HD LYS 19 -4.909 -9.871 -2.932 367 1HE LYS 19 1HE LYS 19 -3.965 -11.732 -4.266 368 2HE LYS 19 2HE LYS 19 -2.370 -10.955 -4.211 369 1HZ LYS 19 1HZ LYS 19 -3.926 -11.844 -1.881 370 2HZ LYS 19 2HZ LYS 19 -2.611 -12.610 -2.514 371 3HZ LYS 19 3HZ LYS 19 -2.446 -11.121 -1.826 372 H LEU 20 H LEU 20 -6.009 -6.895 -2.135 373 HA LEU 20 HA LEU 20 -6.748 -9.404 -0.944 374 1HB LEU 20 1HB LEU 20 -6.521 -6.626 0.233 375 2HB LEU 20 2HB LEU 20 -6.701 -8.105 1.189 376 HG LEU 20 HG LEU 20 -4.382 -7.699 -0.757 377 1HD1 LEU 20 1HD1 LEU 20 -4.367 -5.941 0.939 378 2HD1 LEU 20 2HD1 LEU 20 -4.546 -7.149 2.220 379 3HD1 LEU 20 3HD1 LEU 20 -3.060 -7.107 1.245 380 1HD2 LEU 20 1HD2 LEU 20 -4.828 -9.642 1.550 381 2HD2 LEU 20 2HD2 LEU 20 -4.766 -10.057 -0.175 382 3HD2 LEU 20 3HD2 LEU 20 -3.320 -9.454 0.637 383 H LYS 21 H LYS 21 -8.758 -6.567 -1.774 384 HA LYS 21 HA LYS 21 -11.115 -7.655 -0.509 385 1HB LYS 21 1HB LYS 21 -10.967 -5.314 -1.164 386 2HB LYS 21 2HB LYS 21 -10.800 -5.758 -2.863 387 1HG LYS 21 1HG LYS 21 -13.043 -4.994 -2.379 388 2HG LYS 21 2HG LYS 21 -13.081 -6.680 -2.899 389 1HD LYS 21 1HD LYS 21 -13.344 -7.448 -0.578 390 2HD LYS 21 2HD LYS 21 -13.149 -5.797 0.036 391 1HE LYS 21 1HE LYS 21 -15.398 -6.743 -1.815 392 2HE LYS 21 2HE LYS 21 -15.526 -6.607 -0.054 393 1HZ LYS 21 1HZ LYS 21 -15.059 -4.271 -0.253 394 2HZ LYS 21 2HZ LYS 21 -14.989 -4.386 -1.894 395 3HZ LYS 21 3HZ LYS 21 -16.404 -4.684 -1.109 396 H ASN 22 H ASN 22 -9.831 -7.866 -3.841 397 HA ASN 22 HA ASN 22 -11.758 -9.536 -4.999 398 1HB ASN 22 1HB ASN 22 -9.775 -8.246 -6.018 399 2HB ASN 22 2HB ASN 22 -8.790 -9.664 -5.653 400 1HD2 ASN 22 1HD2 ASN 22 -11.099 -11.603 -6.354 401 2HD2 ASN 22 2HD2 ASN 22 -11.146 -11.463 -8.106 402 H CYS 23 H CYS 23 -8.925 -10.431 -3.042 403 HA CYS 23 HA CYS 23 -8.963 -13.228 -3.152 404 1HB CYS 23 1HB CYS 23 -7.309 -11.886 -1.955 405 2HB CYS 23 2HB CYS 23 -8.541 -11.387 -0.793 406 H LYS 24 H LYS 24 -11.288 -11.100 -1.529 407 HA LYS 24 HA LYS 24 -13.360 -11.376 -0.878 408 1HB LYS 24 1HB LYS 24 -13.465 -12.505 -3.061 409 2HB LYS 24 2HB LYS 24 -13.252 -14.074 -2.260 410 1HG LYS 24 1HG LYS 24 -15.360 -13.804 -1.049 411 2HG LYS 24 2HG LYS 24 -15.501 -12.128 -1.597 412 1HD LYS 24 1HD LYS 24 -16.997 -13.527 -2.895 413 2HD LYS 24 2HD LYS 24 -15.725 -12.882 -3.945 414 1HE LYS 24 1HE LYS 24 -14.527 -15.040 -3.872 415 2HE LYS 24 2HE LYS 24 -15.699 -15.678 -2.702 416 1HZ LYS 24 1HZ LYS 24 -17.388 -15.435 -4.375 417 2HZ LYS 24 2HZ LYS 24 -16.296 -14.833 -5.451 418 3HZ LYS 24 3HZ LYS 24 -16.164 -16.389 -4.928 419 H VAL 25 H VAL 25 -11.765 -14.507 -0.183 420 HA VAL 25 HA VAL 25 -13.500 -15.291 1.919 421 HB VAL 25 HB VAL 25 -11.746 -16.852 2.576 422 1HG1 VAL 25 1HG1 VAL 25 -11.952 -16.646 -0.460 423 2HG1 VAL 25 2HG1 VAL 25 -11.578 -18.091 0.494 424 3HG1 VAL 25 3HG1 VAL 25 -13.182 -17.348 0.615 425 1HG2 VAL 25 1HG2 VAL 25 -9.739 -15.429 2.336 426 2HG2 VAL 25 2HG2 VAL 25 -9.576 -16.927 1.411 427 3HG2 VAL 25 3HG2 VAL 25 -9.947 -15.414 0.573 428 1H GLU 1 1H GLU 1 9.217 8.302 -2.487 429 2H GLU 1 2H GLU 1 9.732 6.898 -3.189 430 3H GLU 1 3H GLU 1 9.700 7.034 -1.551 431 HA GLU 1 HA GLU 1 7.395 7.027 -3.360 432 1HB GLU 1 1HB GLU 1 8.413 4.844 -3.140 433 2HB GLU 1 2HB GLU 1 8.363 4.934 -1.374 434 1HG GLU 1 1HG GLU 1 5.914 4.916 -1.390 435 2HG GLU 1 2HG GLU 1 5.885 5.043 -3.161 436 H ASN 2 H ASN 2 8.165 6.687 0.126 437 HA ASN 2 HA ASN 2 5.535 7.247 0.971 438 1HB ASN 2 1HB ASN 2 8.175 7.320 2.467 439 2HB ASN 2 2HB ASN 2 6.588 7.446 3.244 440 1HD2 ASN 2 1HD2 ASN 2 4.992 5.687 2.810 441 2HD2 ASN 2 2HD2 ASN 2 5.650 4.050 2.566 442 H ARG 3 H ARG 3 4.825 9.089 -0.055 443 HA ARG 3 HA ARG 3 5.169 11.440 1.756 444 1HB ARG 3 1HB ARG 3 4.349 11.493 -1.167 445 2HB ARG 3 2HB ARG 3 4.458 12.902 -0.101 446 1HG ARG 3 1HG ARG 3 6.789 11.135 -0.993 447 2HG ARG 3 2HG ARG 3 6.347 12.699 -1.674 448 1HD ARG 3 1HD ARG 3 6.777 13.832 0.453 449 2HD ARG 3 2HD ARG 3 7.155 12.306 1.243 450 HE ARG 3 HE ARG 3 8.865 13.876 -0.488 451 1HH1 ARG 3 1HH1 ARG 3 8.393 10.622 0.837 452 2HH1 ARG 3 2HH1 ARG 3 9.986 10.095 0.343 453 1HH2 ARG 3 1HH2 ARG 3 10.927 13.218 -0.987 454 2HH2 ARG 3 2HH2 ARG 3 11.424 11.563 -0.704 455 H GLU 4 H GLU 4 3.277 12.053 2.719 456 HA GLU 4 HA GLU 4 1.248 11.794 3.635 457 1HB GLU 4 1HB GLU 4 0.335 12.433 1.514 458 2HB GLU 4 2HB GLU 4 0.349 10.784 0.896 459 1HG GLU 4 1HG GLU 4 -1.202 11.532 3.414 460 2HG GLU 4 2HG GLU 4 -1.870 11.738 1.793 461 H VAL 5 H VAL 5 1.592 8.858 1.618 462 HA VAL 5 HA VAL 5 0.624 7.027 3.595 463 HB VAL 5 HB VAL 5 2.369 6.598 1.155 464 1HG1 VAL 5 1HG1 VAL 5 2.499 4.641 2.651 465 2HG1 VAL 5 2HG1 VAL 5 0.725 4.612 2.788 466 3HG1 VAL 5 3HG1 VAL 5 1.511 4.258 1.237 467 1HG2 VAL 5 1HG2 VAL 5 0.212 5.893 0.084 468 2HG2 VAL 5 2HG2 VAL 5 -0.656 6.440 1.531 469 3HG2 VAL 5 3HG2 VAL 5 0.229 7.603 0.519 470 HA PRO 6 HA PRO 6 4.349 7.644 5.937 471 1HB PRO 6 1HB PRO 6 3.887 6.080 8.170 472 2HB PRO 6 2HB PRO 6 3.022 7.600 7.833 473 1HG PRO 6 1HG PRO 6 2.114 4.787 7.204 474 2HG PRO 6 2HG PRO 6 1.186 6.077 8.022 475 1HD PRO 6 1HD PRO 6 0.900 5.562 5.367 476 2HD PRO 6 2HD PRO 6 0.850 7.239 5.980 477 HA PRO 7 HA PRO 7 7.114 4.298 4.774 478 1HB PRO 7 1HB PRO 7 9.163 4.604 6.570 479 2HB PRO 7 2HB PRO 7 8.879 5.705 5.194 480 1HG PRO 7 1HG PRO 7 7.990 6.084 8.066 481 2HG PRO 7 2HG PRO 7 8.837 7.258 7.018 482 1HD PRO 7 1HD PRO 7 6.160 7.353 7.335 483 2HD PRO 7 2HD PRO 7 6.874 7.643 5.722 484 H GLY 8 H GLY 8 6.153 4.661 8.175 485 1HA GLY 8 1HA GLY 8 6.476 2.121 9.236 486 2HA GLY 8 2HA GLY 8 5.074 3.162 9.521 487 H PHE 9 H PHE 9 3.978 3.139 6.825 488 HA PHE 9 HA PHE 9 2.473 0.650 7.013 489 1HB PHE 9 1HB PHE 9 1.351 2.648 6.282 490 2HB PHE 9 2HB PHE 9 2.511 2.908 4.983 491 HD1 PHE 9 1HD PHE 9 0.229 0.181 6.195 492 HD2 PHE 9 2HD PHE 9 1.881 2.274 2.820 493 HE1 PHE 9 1HE PHE 9 -1.239 -1.119 4.670 494 HE2 PHE 9 2HE PHE 9 0.446 0.949 1.291 495 HZ PHE 9 HZ PHE 9 -1.055 -0.804 2.206 496 H THR 10 H THR 10 4.781 1.979 4.582 497 HA THR 10 HA THR 10 4.949 -0.322 2.957 498 HB THR 10 HB THR 10 7.177 1.678 3.542 499 HG1 THR 10 1HG THR 10 4.916 1.844 1.832 500 1HG2 THR 10 1HG2 THR 10 7.812 -0.206 2.035 501 2HG2 THR 10 2HG2 THR 10 6.394 0.137 1.016 502 3HG2 THR 10 3HG2 THR 10 7.699 1.330 1.152 503 H ALA 11 H ALA 11 6.924 0.582 5.797 504 HA ALA 11 HA ALA 11 8.558 -1.739 5.901 505 1HB ALA 11 1HB ALA 11 8.963 0.369 7.144 506 2HB ALA 11 2HB ALA 11 7.582 0.000 8.200 507 3HB ALA 11 3HB ALA 11 9.004 -1.068 8.178 508 H LEU 12 H LEU 12 5.363 -1.082 7.488 509 HA LEU 12 HA LEU 12 5.050 -3.587 8.724 510 1HB LEU 12 1HB LEU 12 3.642 -1.639 9.098 511 2HB LEU 12 2HB LEU 12 2.859 -1.838 7.531 512 HG LEU 12 HG LEU 12 2.896 -4.126 9.524 513 1HD1 LEU 12 1HD1 LEU 12 1.034 -1.736 9.539 514 2HD1 LEU 12 2HD1 LEU 12 0.762 -3.229 10.460 515 3HD1 LEU 12 3HD1 LEU 12 2.165 -2.206 10.824 516 1HD2 LEU 12 1HD2 LEU 12 1.914 -4.632 7.294 517 2HD2 LEU 12 2HD2 LEU 12 0.661 -4.600 8.524 518 3HD2 LEU 12 3HD2 LEU 12 0.856 -3.213 7.435 519 H ILE 13 H ILE 13 3.982 -2.636 5.392 520 HA ILE 13 HA ILE 13 3.096 -5.220 4.603 521 HB ILE 13 HB ILE 13 3.919 -2.718 3.198 522 1HG1 ILE 13 1HG1 ILE 13 1.775 -3.074 2.066 523 2HG1 ILE 13 2HG1 ILE 13 1.629 -4.692 2.766 524 1HG2 ILE 13 1HG2 ILE 13 3.815 -5.378 1.716 525 2HG2 ILE 13 2HG2 ILE 13 3.724 -3.778 0.959 526 3HG2 ILE 13 3HG2 ILE 13 5.195 -4.253 1.798 527 1HD1 ILE 13 1HD1 ILE 13 1.393 -3.709 5.021 528 2HD1 ILE 13 2HD1 ILE 13 1.663 -2.088 4.341 529 3HD1 ILE 13 3HD1 ILE 13 0.218 -3.022 3.898 530 H LYS 14 H LYS 14 6.407 -3.861 4.173 531 HA LYS 14 HA LYS 14 7.522 -6.192 3.004 532 1HB LYS 14 1HB LYS 14 8.749 -4.016 4.734 533 2HB LYS 14 2HB LYS 14 9.694 -5.280 3.926 534 1HG LYS 14 1HG LYS 14 9.005 -4.548 1.737 535 2HG LYS 14 2HG LYS 14 7.780 -3.467 2.402 536 1HD LYS 14 1HD LYS 14 9.681 -2.159 1.679 537 2HD LYS 14 2HD LYS 14 9.521 -2.055 3.438 538 1HE LYS 14 1HE LYS 14 11.354 -3.691 3.726 539 2HE LYS 14 2HE LYS 14 11.446 -3.926 1.969 540 1HZ LYS 14 1HZ LYS 14 11.970 -1.412 3.397 541 2HZ LYS 14 2HZ LYS 14 13.110 -2.420 2.764 542 3HZ LYS 14 3HZ LYS 14 12.066 -1.628 1.766 543 H THR 15 H THR 15 7.534 -5.267 6.470 544 HA THR 15 HA THR 15 8.795 -7.682 7.364 545 HB THR 15 HB THR 15 8.029 -7.025 9.619 546 HG1 THR 15 1HG THR 15 6.892 -4.797 8.287 547 1HG2 THR 15 1HG2 THR 15 10.127 -6.118 8.771 548 2HG2 THR 15 2HG2 THR 15 9.279 -4.802 7.938 549 3HG2 THR 15 3HG2 THR 15 9.271 -4.875 9.705 550 H LEU 16 H LEU 16 5.321 -6.872 7.008 551 HA LEU 16 HA LEU 16 4.303 -9.294 8.109 552 1HB LEU 16 1HB LEU 16 3.020 -7.216 7.556 553 2HB LEU 16 2HB LEU 16 3.080 -7.632 5.854 554 HG LEU 16 HG LEU 16 1.939 -9.532 7.955 555 1HD1 LEU 16 1HD1 LEU 16 -0.284 -8.546 7.480 556 2HD1 LEU 16 2HD1 LEU 16 0.806 -7.375 8.236 557 3HD1 LEU 16 3HD1 LEU 16 0.492 -7.289 6.490 558 1HD2 LEU 16 1HD2 LEU 16 0.519 -10.282 6.035 559 2HD2 LEU 16 2HD2 LEU 16 1.398 -9.175 4.964 560 3HD2 LEU 16 3HD2 LEU 16 2.222 -10.557 5.714 561 H ARG 17 H ARG 17 4.927 -8.425 4.685 562 HA ARG 17 HA ARG 17 4.465 -10.898 3.459 563 1HB ARG 17 1HB ARG 17 6.416 -8.638 2.912 564 2HB ARG 17 2HB ARG 17 6.364 -10.034 1.861 565 1HG ARG 17 1HG ARG 17 3.920 -8.310 2.491 566 2HG ARG 17 2HG ARG 17 5.013 -8.014 1.136 567 1HD ARG 17 1HD ARG 17 3.277 -10.490 1.525 568 2HD ARG 17 2HD ARG 17 3.036 -9.192 0.380 569 HE ARG 17 HE ARG 17 4.852 -9.869 -0.937 570 1HH1 ARG 17 1HH1 ARG 17 4.330 -12.176 1.714 571 2HH1 ARG 17 2HH1 ARG 17 5.572 -13.261 1.157 572 1HH2 ARG 17 1HH2 ARG 17 6.296 -11.401 -1.734 573 2HH2 ARG 17 2HH2 ARG 17 6.575 -12.884 -0.848 574 H LYS 18 H LYS 18 7.575 -9.728 4.856 575 HA LYS 18 HA LYS 18 8.964 -12.161 4.427 576 1HB LYS 18 1HB LYS 18 9.852 -9.798 5.073 577 2HB LYS 18 2HB LYS 18 9.582 -10.312 6.745 578 1HG LYS 18 1HG LYS 18 10.928 -12.457 6.025 579 2HG LYS 18 2HG LYS 18 11.400 -11.504 4.614 580 1HD LYS 18 1HD LYS 18 12.251 -9.714 6.225 581 2HD LYS 18 2HD LYS 18 11.890 -10.837 7.555 582 1HE LYS 18 1HE LYS 18 13.388 -12.546 6.428 583 2HE LYS 18 2HE LYS 18 13.843 -11.301 5.250 584 1HZ LYS 18 1HZ LYS 18 15.413 -11.425 7.020 585 2HZ LYS 18 2HZ LYS 18 14.622 -9.980 7.132 586 3HZ LYS 18 3HZ LYS 18 14.238 -11.221 8.157 587 H CYS 19 H CYS 19 7.572 -10.995 7.554 588 HA CYS 19 HA CYS 19 8.045 -13.193 9.161 589 1HB CYS 19 1HB CYS 19 7.112 -11.074 9.991 590 2HB CYS 19 2HB CYS 19 5.596 -11.388 9.140 591 H LYS 20 H LYS 20 5.166 -12.715 7.076 592 HA LYS 20 HA LYS 20 4.080 -15.352 7.816 593 1HB LYS 20 1HB LYS 20 3.124 -13.280 5.808 594 2HB LYS 20 2HB LYS 20 2.207 -14.676 6.381 595 1HG LYS 20 1HG LYS 20 3.114 -12.315 8.086 596 2HG LYS 20 2HG LYS 20 1.487 -12.598 7.468 597 1HD LYS 20 1HD LYS 20 1.398 -14.763 8.747 598 2HD LYS 20 2HD LYS 20 2.970 -14.381 9.469 599 1HE LYS 20 1HE LYS 20 0.472 -12.651 9.736 600 2HE LYS 20 2HE LYS 20 1.073 -13.790 10.952 601 1HZ LYS 20 1HZ LYS 20 1.807 -11.597 11.433 602 2HZ LYS 20 2HZ LYS 20 3.113 -12.522 11.036 603 3HZ LYS 20 3HZ LYS 20 2.513 -11.437 9.954 604 H ILE 21 H ILE 21 6.462 -14.468 5.585 605 HA ILE 21 HA ILE 21 7.347 -15.358 3.753 606 HB ILE 21 HB ILE 21 5.583 -17.812 4.099 607 1HG1 ILE 21 1HG1 ILE 21 6.816 -17.456 6.189 608 2HG1 ILE 21 2HG1 ILE 21 7.395 -18.859 5.305 609 1HG2 ILE 21 1HG2 ILE 21 7.438 -18.933 2.881 610 2HG2 ILE 21 2HG2 ILE 21 6.570 -17.739 1.911 611 3HG2 ILE 21 3HG2 ILE 21 8.165 -17.342 2.572 612 1HD1 ILE 21 1HD1 ILE 21 8.786 -16.145 5.368 613 2HD1 ILE 21 2HD1 ILE 21 9.243 -17.581 6.289 614 3HD1 ILE 21 3HD1 ILE 21 9.372 -17.596 4.525 615 H ILE 22 H ILE 22 3.873 -16.149 3.658 616 HA ILE 22 HA ILE 22 3.580 -14.679 1.063 617 HB ILE 22 HB ILE 22 1.716 -16.693 2.367 618 1HG1 ILE 22 1HG1 ILE 22 3.554 -16.939 -0.062 619 2HG1 ILE 22 2HG1 ILE 22 3.771 -17.753 1.494 620 1HG2 ILE 22 1HG2 ILE 22 0.568 -14.902 1.013 621 2HG2 ILE 22 2HG2 ILE 22 1.590 -15.338 -0.369 622 3HG2 ILE 22 3HG2 ILE 22 0.415 -16.494 0.293 623 1HD1 ILE 22 1HD1 ILE 22 1.541 -18.264 -0.498 624 2HD1 ILE 22 2HD1 ILE 22 2.844 -19.348 0.001 625 3HD1 ILE 22 3HD1 ILE 22 1.573 -18.914 1.161 626 1H ASN 1 1H ASN 1 -8.064 11.175 12.862 627 2H ASN 1 2H ASN 1 -7.140 11.337 11.504 628 3H ASN 1 3H ASN 1 -6.419 11.135 12.972 629 HA ASN 1 HA ASN 1 -6.241 13.366 12.196 630 1HB ASN 1 1HB ASN 1 -8.327 13.338 10.867 631 2HB ASN 1 2HB ASN 1 -9.286 13.376 12.347 632 1HD2 ASN 1 1HD2 ASN 1 -9.941 15.354 10.745 633 2HD2 ASN 1 2HD2 ASN 1 -9.161 16.858 11.220 634 H LEU 2 H LEU 2 -9.015 12.839 14.435 635 HA LEU 2 HA LEU 2 -8.173 14.705 16.353 636 1HB LEU 2 1HB LEU 2 -10.455 13.771 16.149 637 2HB LEU 2 2HB LEU 2 -9.859 12.189 16.664 638 HG LEU 2 HG LEU 2 -9.285 13.142 18.903 639 1HD1 LEU 2 1HD1 LEU 2 -10.640 15.656 17.811 640 2HD1 LEU 2 2HD1 LEU 2 -10.235 15.367 19.514 641 3HD1 LEU 2 3HD1 LEU 2 -8.944 15.530 18.322 642 1HD2 LEU 2 1HD2 LEU 2 -11.451 12.042 18.485 643 2HD2 LEU 2 2HD2 LEU 2 -11.602 13.346 19.677 644 3HD2 LEU 2 3HD2 LEU 2 -12.157 13.601 18.009 645 H VAL 3 H VAL 3 -7.023 14.557 18.278 646 HA VAL 3 HA VAL 3 -4.653 13.276 18.360 647 HB VAL 3 HB VAL 3 -6.328 14.075 20.770 648 1HG1 VAL 3 1HG1 VAL 3 -3.327 13.572 20.515 649 2HG1 VAL 3 2HG1 VAL 3 -4.115 14.340 21.907 650 3HG1 VAL 3 3HG1 VAL 3 -4.465 12.654 21.524 651 1HG2 VAL 3 1HG2 VAL 3 -4.970 16.161 20.646 652 2HG2 VAL 3 2HG2 VAL 3 -4.225 15.582 19.145 653 3HG2 VAL 3 3HG2 VAL 3 -5.959 15.958 19.202 654 H SER 4 H SER 4 -7.566 11.924 19.982 655 HA SER 4 HA SER 4 -6.418 9.587 21.102 656 1HB SER 4 1HB SER 4 -8.801 8.759 20.943 657 2HB SER 4 2HB SER 4 -8.620 10.354 21.702 658 HG SER 4 HG SER 4 -10.292 10.355 20.095 659 H GLY 5 H GLY 5 -8.402 9.740 18.179 660 1HA GLY 5 1HA GLY 5 -7.878 7.292 16.969 661 2HA GLY 5 2HA GLY 5 -8.178 8.782 16.059 662 H LEU 6 H LEU 6 -6.009 10.290 16.418 663 HA LEU 6 HA LEU 6 -3.976 9.379 14.727 664 1HB LEU 6 1HB LEU 6 -4.288 11.714 15.189 665 2HB LEU 6 2HB LEU 6 -4.050 11.475 16.911 666 HG LEU 6 HG LEU 6 -1.640 10.861 16.492 667 1HD1 LEU 6 1HD1 LEU 6 -0.704 11.558 14.301 668 2HD1 LEU 6 2HD1 LEU 6 -1.766 10.146 14.155 669 3HD1 LEU 6 3HD1 LEU 6 -2.355 11.753 13.671 670 1HD2 LEU 6 1HD2 LEU 6 -2.618 13.592 15.603 671 2HD2 LEU 6 2HD2 LEU 6 -2.248 13.066 17.253 672 3HD2 LEU 6 3HD2 LEU 6 -0.948 13.191 16.058 673 H ILE 7 H ILE 7 -3.636 9.664 18.354 674 HA ILE 7 HA ILE 7 -1.125 8.300 18.237 675 HB ILE 7 HB ILE 7 -1.101 8.189 20.601 676 1HG1 ILE 7 1HG1 ILE 7 -4.017 9.041 20.605 677 2HG1 ILE 7 2HG1 ILE 7 -3.356 7.500 21.157 678 1HG2 ILE 7 1HG2 ILE 7 -2.256 10.871 19.759 679 2HG2 ILE 7 2HG2 ILE 7 -1.098 10.545 21.060 680 3HG2 ILE 7 3HG2 ILE 7 -0.619 10.310 19.380 681 1HD1 ILE 7 1HD1 ILE 7 -2.039 8.720 22.897 682 2HD1 ILE 7 2HD1 ILE 7 -2.898 10.212 22.435 683 3HD1 ILE 7 3HD1 ILE 7 -3.801 8.834 23.079 684 H GLU 8 H GLU 8 -4.409 7.008 18.965 685 HA GLU 8 HA GLU 8 -3.497 4.365 19.561 686 1HB GLU 8 1HB GLU 8 -6.138 5.356 18.410 687 2HB GLU 8 2HB GLU 8 -5.846 3.704 18.971 688 1HG GLU 8 1HG GLU 8 -5.690 6.218 20.703 689 2HG GLU 8 2HG GLU 8 -6.978 5.013 20.711 690 H ALA 9 H ALA 9 -4.592 5.722 16.399 691 HA ALA 9 HA ALA 9 -4.115 3.369 14.882 692 1HB ALA 9 1HB ALA 9 -5.439 5.284 14.085 693 2HB ALA 9 2HB ALA 9 -3.970 6.282 14.006 694 3HB ALA 9 3HB ALA 9 -4.146 4.864 12.947 695 H ARG 10 H ARG 10 -1.924 6.158 15.569 696 HA ARG 10 HA ARG 10 0.211 5.120 13.983 697 1HB ARG 10 1HB ARG 10 -0.173 7.492 14.687 698 2HB ARG 10 2HB ARG 10 0.468 7.084 16.288 699 1HG ARG 10 1HG ARG 10 2.610 6.403 15.265 700 2HG ARG 10 2HG ARG 10 1.938 6.615 13.646 701 1HD ARG 10 1HD ARG 10 2.392 8.806 15.717 702 2HD ARG 10 2HD ARG 10 3.386 8.529 14.288 703 HE ARG 10 HE ARG 10 0.944 10.021 14.443 704 1HH1 ARG 10 1HH1 ARG 10 2.614 7.861 12.163 705 2HH1 ARG 10 2HH1 ARG 10 1.823 8.628 10.781 706 1HH2 ARG 10 1HH2 ARG 10 0.154 11.068 12.517 707 2HH2 ARG 10 2HH2 ARG 10 0.528 10.290 10.985 708 H LYS 11 H LYS 11 -0.395 4.853 17.522 709 HA LYS 11 HA LYS 11 1.893 3.249 18.147 710 1HB LYS 11 1HB LYS 11 -0.877 3.434 19.371 711 2HB LYS 11 2HB LYS 11 0.408 2.409 20.030 712 1HG LYS 11 1HG LYS 11 1.897 4.384 20.256 713 2HG LYS 11 2HG LYS 11 0.585 5.438 19.729 714 1HD LYS 11 1HD LYS 11 0.568 3.631 22.203 715 2HD LYS 11 2HD LYS 11 0.817 5.384 22.194 716 1HE LYS 11 1HE LYS 11 -1.477 5.658 21.180 717 2HE LYS 11 2HE LYS 11 -1.734 3.915 21.375 718 1HZ LYS 11 1HZ LYS 11 -2.652 5.114 23.166 719 2HZ LYS 11 2HZ LYS 11 -1.402 4.190 23.718 720 3HZ LYS 11 3HZ LYS 11 -1.204 5.818 23.537 721 H TYR 12 H TYR 12 -1.452 2.267 17.191 722 HA TYR 12 HA TYR 12 -1.038 -0.515 17.162 723 1HB TYR 12 1HB TYR 12 -3.211 0.548 17.011 724 2HB TYR 12 2HB TYR 12 -2.805 1.276 15.464 725 HD1 TYR 12 1HD TYR 12 -3.822 0.294 13.613 726 HD2 TYR 12 2HD TYR 12 -2.907 -2.157 17.040 727 HE1 TYR 12 1HE TYR 12 -5.006 -1.626 12.565 728 HE2 TYR 12 2HE TYR 12 -4.128 -4.049 16.007 729 HH TYR 12 HH TYR 12 -5.344 -4.760 14.224 730 H LEU 13 H LEU 13 -0.739 1.733 14.367 731 HA LEU 13 HA LEU 13 0.314 0.023 12.430 732 1HB LEU 13 1HB LEU 13 -0.313 2.293 11.922 733 2HB LEU 13 2HB LEU 13 0.844 2.940 13.081 734 HG LEU 13 HG LEU 13 2.740 2.186 11.673 735 1HD1 LEU 13 1HD1 LEU 13 2.308 1.433 9.368 736 2HD1 LEU 13 2HD1 LEU 13 1.660 0.272 10.529 737 3HD1 LEU 13 3HD1 LEU 13 0.565 1.397 9.685 738 1HD2 LEU 13 1HD2 LEU 13 0.679 3.867 10.203 739 2HD2 LEU 13 2HD2 LEU 13 1.814 4.456 11.439 740 3HD2 LEU 13 3HD2 LEU 13 2.427 3.838 9.896 741 H GLU 14 H GLU 14 2.295 2.044 14.695 742 HA GLU 14 HA GLU 14 4.700 0.798 13.796 743 1HB GLU 14 1HB GLU 14 4.136 2.524 16.221 744 2HB GLU 14 2HB GLU 14 5.754 1.972 15.757 745 1HG GLU 14 1HG GLU 14 3.901 3.708 14.065 746 2HG GLU 14 2HG GLU 14 5.366 4.234 14.898 747 H GLN 15 H GLN 15 2.608 -0.052 16.554 748 HA GLN 15 HA GLN 15 4.489 -1.940 17.619 749 1HB GLN 15 1HB GLN 15 2.717 -0.988 18.977 750 2HB GLN 15 2HB GLN 15 1.480 -1.757 17.971 751 1HG GLN 15 1HG GLN 15 1.913 -2.961 20.108 752 2HG GLN 15 2HG GLN 15 2.181 -3.978 18.695 753 1HE2 GLN 15 1HE2 GLN 15 4.353 -4.666 18.199 754 2HE2 GLN 15 2HE2 GLN 15 5.578 -4.589 19.464 755 H LEU 16 H LEU 16 1.775 -2.278 15.249 756 HA LEU 16 HA LEU 16 2.133 -5.097 14.806 757 1HB LEU 16 1HB LEU 16 1.203 -2.832 13.009 758 2HB LEU 16 2HB LEU 16 1.256 -4.516 12.473 759 HG LEU 16 HG LEU 16 -0.369 -3.575 14.876 760 1HD1 LEU 16 1HD1 LEU 16 -1.196 -2.495 12.847 761 2HD1 LEU 16 2HD1 LEU 16 -1.145 -4.037 11.959 762 3HD1 LEU 16 3HD1 LEU 16 -2.295 -3.815 13.285 763 1HD2 LEU 16 1HD2 LEU 16 0.123 -5.991 14.957 764 2HD2 LEU 16 2HD2 LEU 16 -1.561 -5.736 14.503 765 3HD2 LEU 16 3HD2 LEU 16 -0.371 -6.168 13.259 766 H HIS 17 H HIS 17 3.522 -2.321 12.977 767 HA HIS 17 HA HIS 17 5.344 -3.672 11.343 768 1HB HIS 17 1HB HIS 17 4.989 -1.342 11.073 769 2HB HIS 17 2HB HIS 17 5.369 -1.014 12.758 770 HD1 HIS 17 1HD HIS 17 7.314 0.646 12.511 771 HD2 HIS 17 2HD HIS 17 7.755 -2.964 10.368 772 HE1 HIS 17 1HE HIS 17 9.724 0.573 11.672 773 H ARG 18 H ARG 18 6.047 -2.462 14.647 774 HA ARG 18 HA ARG 18 8.625 -3.484 14.996 775 1HB ARG 18 1HB ARG 18 7.476 -1.861 16.428 776 2HB ARG 18 2HB ARG 18 6.384 -3.119 17.018 777 1HG ARG 18 1HG ARG 18 8.396 -4.319 17.984 778 2HG ARG 18 2HG ARG 18 9.383 -2.929 17.491 779 1HD ARG 18 1HD ARG 18 7.008 -2.917 19.403 780 2HD ARG 18 2HD ARG 18 8.701 -2.708 19.849 781 HE ARG 18 HE ARG 18 8.651 -0.652 18.344 782 1HH1 ARG 18 1HH1 ARG 18 5.705 -1.587 20.197 783 2HH1 ARG 18 2HH1 ARG 18 5.075 0.025 20.078 784 1HH2 ARG 18 1HH2 ARG 18 7.738 1.349 18.260 785 2HH2 ARG 18 2HH2 ARG 18 6.198 1.675 19.021 786 H LYS 19 H LYS 19 5.532 -5.082 16.004 787 HA LYS 19 HA LYS 19 6.742 -7.458 16.983 788 1HB LYS 19 1HB LYS 19 4.451 -6.750 17.494 789 2HB LYS 19 2HB LYS 19 3.961 -7.031 15.814 790 1HG LYS 19 1HG LYS 19 4.466 -9.442 16.053 791 2HG LYS 19 2HG LYS 19 5.094 -9.158 17.688 792 1HD LYS 19 1HD LYS 19 2.850 -8.412 18.436 793 2HD LYS 19 2HD LYS 19 2.234 -8.567 16.783 794 1HE LYS 19 1HE LYS 19 1.556 -10.514 18.089 795 2HE LYS 19 2HE LYS 19 2.693 -11.014 16.828 796 1HZ LYS 19 1HZ LYS 19 4.418 -11.033 18.479 797 2HZ LYS 19 2HZ LYS 19 3.373 -10.526 19.649 798 3HZ LYS 19 3HZ LYS 19 3.177 -12.007 18.952 799 H LEU 20 H LEU 20 5.431 -6.705 13.733 800 HA LEU 20 HA LEU 20 5.955 -9.271 12.585 801 1HB LEU 20 1HB LEU 20 5.691 -6.519 11.348 802 2HB LEU 20 2HB LEU 20 5.730 -8.022 10.416 803 HG LEU 20 HG LEU 20 3.658 -7.545 12.618 804 1HD1 LEU 20 1HD1 LEU 20 3.522 -6.892 9.662 805 2HD1 LEU 20 2HD1 LEU 20 2.120 -6.917 10.760 806 3HD1 LEU 20 3HD1 LEU 20 3.433 -5.754 11.015 807 1HD2 LEU 20 1HD2 LEU 20 3.777 -9.476 10.274 808 2HD2 LEU 20 2HD2 LEU 20 3.898 -9.892 11.994 809 3HD2 LEU 20 3HD2 LEU 20 2.387 -9.240 11.349 810 H LYS 21 H LYS 21 7.942 -6.259 12.559 811 HA LYS 21 HA LYS 21 10.210 -7.301 11.238 812 1HB LYS 21 1HB LYS 21 9.763 -4.916 11.939 813 2HB LYS 21 2HB LYS 21 10.207 -5.359 13.588 814 1HG LYS 21 1HG LYS 21 12.471 -6.005 12.817 815 2HG LYS 21 2HG LYS 21 12.004 -5.658 11.138 816 1HD LYS 21 1HD LYS 21 11.545 -3.286 11.753 817 2HD LYS 21 2HD LYS 21 12.027 -3.630 13.425 818 1HE LYS 21 1HE LYS 21 14.304 -4.265 12.641 819 2HE LYS 21 2HE LYS 21 13.821 -3.937 10.966 820 1HZ LYS 21 1HZ LYS 21 13.875 -1.968 13.146 821 2HZ LYS 21 2HZ LYS 21 14.978 -2.091 11.927 822 3HZ LYS 21 3HZ LYS 21 13.421 -1.666 11.592 823 H ASN 22 H ASN 22 9.355 -7.416 14.711 824 HA ASN 22 HA ASN 22 11.584 -8.851 15.630 825 1HB ASN 22 1HB ASN 22 9.575 -7.661 16.868 826 2HB ASN 22 2HB ASN 22 8.877 -9.281 16.894 827 1HD2 ASN 22 1HD2 ASN 22 11.173 -10.887 17.436 828 2HD2 ASN 22 2HD2 ASN 22 11.788 -10.366 19.005 829 H CYS 23 H CYS 23 9.020 -10.148 13.576 830 HA CYS 23 HA CYS 23 9.285 -12.905 14.352 831 1HB CYS 23 1HB CYS 23 8.864 -11.845 11.540 832 2HB CYS 23 2HB CYS 23 8.540 -13.470 12.144 833 H LYS 24 H LYS 24 11.352 -10.724 12.487 834 HA LYS 24 HA LYS 24 13.366 -10.868 11.580 835 1HB LYS 24 1HB LYS 24 13.938 -11.818 13.805 836 2HB LYS 24 2HB LYS 24 13.806 -13.450 13.126 837 1HG LYS 24 1HG LYS 24 15.587 -12.923 11.483 838 2HG LYS 24 2HG LYS 24 15.683 -11.269 12.122 839 1HD LYS 24 1HD LYS 24 16.355 -12.161 14.344 840 2HD LYS 24 2HD LYS 24 16.169 -13.815 13.745 841 1HE LYS 24 1HE LYS 24 18.531 -13.223 13.735 842 2HE LYS 24 2HE LYS 24 17.971 -13.418 12.066 843 1HZ LYS 24 1HZ LYS 24 19.331 -11.469 12.362 844 2HZ LYS 24 2HZ LYS 24 17.807 -11.038 11.914 845 3HZ LYS 24 3HZ LYS 24 18.286 -10.856 13.480 846 H VAL 25 H VAL 25 12.036 -14.198 11.485 847 HA VAL 25 HA VAL 25 13.276 -14.999 9.063 848 HB VAL 25 HB VAL 25 11.624 -16.779 8.991 849 1HG1 VAL 25 1HG1 VAL 25 12.094 -17.821 11.130 850 2HG1 VAL 25 2HG1 VAL 25 13.523 -16.925 10.586 851 3HG1 VAL 25 3HG1 VAL 25 12.488 -16.259 11.869 852 1HG2 VAL 25 1HG2 VAL 25 10.162 -15.320 11.238 853 2HG2 VAL 25 2HG2 VAL 25 9.562 -15.570 9.585 854 3HG2 VAL 25 3HG2 VAL 25 9.812 -16.954 10.654 Start of MODEL 5 1 1H GLU 1 1H GLU 1 -10.078 9.452 8.204 2 2H GLU 1 2H GLU 1 -10.184 10.991 8.791 3 3H GLU 1 3H GLU 1 -9.874 9.732 9.816 4 HA GLU 1 HA GLU 1 -7.797 9.303 8.830 5 1HB GLU 1 1HB GLU 1 -8.354 9.975 6.561 6 2HB GLU 1 2HB GLU 1 -8.458 11.673 7.040 7 1HG GLU 1 1HG GLU 1 -6.083 11.784 7.502 8 2HG GLU 1 2HG GLU 1 -5.919 10.024 7.440 9 H ASN 2 H ASN 2 -7.081 9.721 10.841 10 HA ASN 2 HA ASN 2 -6.870 12.229 12.156 11 1HB ASN 2 1HB ASN 2 -5.376 11.033 13.684 12 2HB ASN 2 2HB ASN 2 -6.891 10.196 13.351 13 1HD2 ASN 2 1HD2 ASN 2 -6.226 8.079 13.816 14 2HD2 ASN 2 2HD2 ASN 2 -4.983 7.290 12.848 15 H ARG 3 H ARG 3 -6.005 12.904 9.690 16 HA ARG 3 HA ARG 3 -4.466 13.909 8.427 17 1HB ARG 3 1HB ARG 3 -2.806 14.108 10.978 18 2HB ARG 3 2HB ARG 3 -2.401 14.809 9.426 19 1HG ARG 3 1HG ARG 3 -3.307 16.550 10.611 20 2HG ARG 3 2HG ARG 3 -4.572 16.114 9.468 21 1HD ARG 3 1HD ARG 3 -4.557 15.079 12.337 22 2HD ARG 3 2HD ARG 3 -5.160 16.700 11.940 23 HE ARG 3 HE ARG 3 -6.449 14.929 10.188 24 1HH1 ARG 3 1HH1 ARG 3 -6.442 15.656 13.636 25 2HH1 ARG 3 2HH1 ARG 3 -8.014 14.929 13.905 26 1HH2 ARG 3 1HH2 ARG 3 -8.333 13.807 10.605 27 2HH2 ARG 3 2HH2 ARG 3 -9.039 13.779 12.200 28 H GLU 4 H GLU 4 -2.653 11.605 10.500 29 HA GLU 4 HA GLU 4 -0.828 10.997 8.299 30 1HB GLU 4 1HB GLU 4 -0.112 11.287 10.635 31 2HB GLU 4 2HB GLU 4 -1.005 9.821 11.097 32 1HG GLU 4 1HG GLU 4 0.412 8.446 9.655 33 2HG GLU 4 2HG GLU 4 1.200 9.884 8.984 34 H VAL 5 H VAL 5 -3.208 8.988 10.181 35 HA VAL 5 HA VAL 5 -2.573 6.729 8.404 36 HB VAL 5 HB VAL 5 -4.214 6.781 10.931 37 1HG1 VAL 5 1HG1 VAL 5 -3.067 4.492 9.280 38 2HG1 VAL 5 2HG1 VAL 5 -3.837 4.336 10.869 39 3HG1 VAL 5 3HG1 VAL 5 -4.792 4.879 9.486 40 1HG2 VAL 5 1HG2 VAL 5 -1.884 7.379 11.423 41 2HG2 VAL 5 2HG2 VAL 5 -2.136 5.693 11.879 42 3HG2 VAL 5 3HG2 VAL 5 -1.293 6.075 10.371 43 HA PRO 6 HA PRO 6 -6.346 7.864 6.223 44 1HB PRO 6 1HB PRO 6 -6.058 6.371 3.961 45 2HB PRO 6 2HB PRO 6 -4.905 7.677 4.362 46 1HG PRO 6 1HG PRO 6 -4.595 4.719 4.971 47 2HG PRO 6 2HG PRO 6 -3.453 5.760 4.091 48 1HD PRO 6 1HD PRO 6 -3.203 5.295 6.762 49 2HD PRO 6 2HD PRO 6 -2.838 6.904 6.085 50 HA PRO 7 HA PRO 7 -9.429 4.656 7.095 51 1HB PRO 7 1HB PRO 7 -11.100 4.833 4.901 52 2HB PRO 7 2HB PRO 7 -11.085 6.018 6.235 53 1HG PRO 7 1HG PRO 7 -9.629 6.233 3.588 54 2HG PRO 7 2HG PRO 7 -10.674 7.453 4.370 55 1HD PRO 7 1HD PRO 7 -8.019 7.624 4.638 56 2HD PRO 7 2HD PRO 7 -9.052 7.865 6.074 57 H GLY 8 H GLY 8 -7.933 4.803 3.874 58 1HA GLY 8 1HA GLY 8 -8.113 2.222 2.922 59 2HA GLY 8 2HA GLY 8 -6.671 3.248 2.789 60 H PHE 9 H PHE 9 -6.057 3.331 5.668 61 HA PHE 9 HA PHE 9 -4.493 0.891 5.796 62 1HB PHE 9 1HB PHE 9 -3.684 2.961 6.776 63 2HB PHE 9 2HB PHE 9 -5.068 3.043 7.863 64 HD1 PHE 9 1HD PHE 9 -4.892 2.119 10.034 65 HD2 PHE 9 2HD PHE 9 -2.275 0.727 6.917 66 HE1 PHE 9 1HE PHE 9 -3.550 0.900 11.715 67 HE2 PHE 9 2HE PHE 9 -0.971 -0.572 8.591 68 HZ PHE 9 HZ PHE 9 -1.568 -0.441 11.003 69 H THR 10 H THR 10 -7.272 2.115 7.765 70 HA THR 10 HA THR 10 -7.772 -0.201 9.238 71 HB THR 10 HB THR 10 -9.862 1.736 8.149 72 HG1 THR 10 1HG THR 10 -9.309 2.887 10.088 73 1HG2 THR 10 1HG2 THR 10 -10.776 -0.218 9.411 74 2HG2 THR 10 2HG2 THR 10 -9.682 0.158 10.759 75 3HG2 THR 10 3HG2 THR 10 -10.973 1.292 10.316 76 H ALA 11 H ALA 11 -9.178 0.742 6.069 77 HA ALA 11 HA ALA 11 -10.800 -1.543 5.646 78 1HB ALA 11 1HB ALA 11 -10.745 -0.859 3.281 79 2HB ALA 11 2HB ALA 11 -10.958 0.544 4.347 80 3HB ALA 11 3HB ALA 11 -9.375 0.222 3.609 81 H LEU 12 H LEU 12 -7.433 -0.931 4.513 82 HA LEU 12 HA LEU 12 -7.018 -3.445 3.287 83 1HB LEU 12 1HB LEU 12 -5.663 -1.443 2.973 84 2HB LEU 12 2HB LEU 12 -4.979 -1.590 4.594 85 HG LEU 12 HG LEU 12 -4.755 -3.804 2.505 86 1HD1 LEU 12 1HD1 LEU 12 -2.505 -2.787 1.976 87 2HD1 LEU 12 2HD1 LEU 12 -3.887 -1.808 1.452 88 3HD1 LEU 12 3HD1 LEU 12 -2.998 -1.373 2.928 89 1HD2 LEU 12 1HD2 LEU 12 -4.034 -4.531 4.761 90 2HD2 LEU 12 2HD2 LEU 12 -2.630 -4.308 3.739 91 3HD2 LEU 12 3HD2 LEU 12 -3.052 -3.064 4.936 92 H ILE 13 H ILE 13 -6.106 -2.391 6.624 93 HA ILE 13 HA ILE 13 -5.100 -4.844 7.559 94 HB ILE 13 HB ILE 13 -6.539 -2.561 8.929 95 1HG1 ILE 13 1HG1 ILE 13 -4.222 -2.202 7.956 96 2HG1 ILE 13 2HG1 ILE 13 -4.424 -1.835 9.667 97 1HG2 ILE 13 1HG2 ILE 13 -7.017 -4.403 10.386 98 2HG2 ILE 13 2HG2 ILE 13 -5.353 -5.006 10.284 99 3HG2 ILE 13 3HG2 ILE 13 -5.711 -3.464 11.101 100 1HD1 ILE 13 1HD1 ILE 13 -3.155 -4.389 8.575 101 2HD1 ILE 13 2HD1 ILE 13 -2.293 -2.973 9.185 102 3HD1 ILE 13 3HD1 ILE 13 -3.288 -3.927 10.288 103 H LYS 14 H LYS 14 -8.530 -3.705 7.787 104 HA LYS 14 HA LYS 14 -9.545 -6.086 8.916 105 1HB LYS 14 1HB LYS 14 -10.799 -3.991 8.797 106 2HB LYS 14 2HB LYS 14 -10.828 -4.062 7.040 107 1HG LYS 14 1HG LYS 14 -12.982 -4.728 8.004 108 2HG LYS 14 2HG LYS 14 -12.270 -6.009 7.041 109 1HD LYS 14 1HD LYS 14 -13.294 -6.890 9.099 110 2HD LYS 14 2HD LYS 14 -11.572 -7.236 9.051 111 1HE LYS 14 1HE LYS 14 -12.287 -6.529 11.297 112 2HE LYS 14 2HE LYS 14 -11.132 -5.370 10.636 113 1HZ LYS 14 1HZ LYS 14 -13.007 -4.303 11.660 114 2HZ LYS 14 2HZ LYS 14 -12.973 -3.965 10.049 115 3HZ LYS 14 3HZ LYS 14 -14.056 -5.058 10.637 116 H THR 15 H THR 15 -9.370 -5.186 5.446 117 HA THR 15 HA THR 15 -10.487 -7.597 4.430 118 HB THR 15 HB THR 15 -8.462 -5.798 3.040 119 HG1 THR 15 1HG THR 15 -10.190 -4.570 3.749 120 1HG2 THR 15 1HG2 THR 15 -10.725 -7.531 1.940 121 2HG2 THR 15 2HG2 THR 15 -9.578 -6.545 1.006 122 3HG2 THR 15 3HG2 THR 15 -9.015 -7.982 1.873 123 H LEU 16 H LEU 16 -7.106 -6.750 5.130 124 HA LEU 16 HA LEU 16 -5.890 -9.120 4.103 125 1HB LEU 16 1HB LEU 16 -4.793 -6.948 4.537 126 2HB LEU 16 2HB LEU 16 -4.903 -7.206 6.271 127 HG LEU 16 HG LEU 16 -3.529 -9.231 4.453 128 1HD1 LEU 16 1HD1 LEU 16 -2.293 -6.723 5.655 129 2HD1 LEU 16 2HD1 LEU 16 -1.413 -8.026 4.824 130 3HD1 LEU 16 3HD1 LEU 16 -2.562 -7.031 3.927 131 1HD2 LEU 16 1HD2 LEU 16 -2.142 -9.611 6.499 132 2HD2 LEU 16 2HD2 LEU 16 -3.137 -8.439 7.384 133 3HD2 LEU 16 3HD2 LEU 16 -3.827 -9.968 6.809 134 H ARG 17 H ARG 17 -6.779 -8.130 7.435 135 HA ARG 17 HA ARG 17 -6.091 -10.490 8.790 136 1HB ARG 17 1HB ARG 17 -6.655 -8.324 9.779 137 2HB ARG 17 2HB ARG 17 -8.357 -8.528 9.350 138 1HG ARG 17 1HG ARG 17 -8.610 -10.372 10.883 139 2HG ARG 17 2HG ARG 17 -6.860 -10.520 11.111 140 1HD ARG 17 1HD ARG 17 -8.462 -8.051 11.868 141 2HD ARG 17 2HD ARG 17 -8.045 -9.348 13.007 142 HE ARG 17 HE ARG 17 -5.608 -8.813 12.091 143 1HH1 ARG 17 1HH1 ARG 17 -8.043 -6.509 13.212 144 2HH1 ARG 17 2HH1 ARG 17 -6.849 -5.306 13.650 145 1HH2 ARG 17 1HH2 ARG 17 -4.116 -7.267 12.703 146 2HH2 ARG 17 2HH2 ARG 17 -4.634 -5.723 13.355 147 H LYS 18 H LYS 18 -9.205 -9.644 7.177 148 HA LYS 18 HA LYS 18 -10.453 -12.175 7.596 149 1HB LYS 18 1HB LYS 18 -11.497 -10.016 6.829 150 2HB LYS 18 2HB LYS 18 -10.856 -10.348 5.204 151 1HG LYS 18 1HG LYS 18 -12.065 -12.635 5.407 152 2HG LYS 18 2HG LYS 18 -12.870 -11.967 6.826 153 1HD LYS 18 1HD LYS 18 -12.984 -10.888 3.963 154 2HD LYS 18 2HD LYS 18 -14.243 -11.786 4.806 155 1HE LYS 18 1HE LYS 18 -15.011 -9.603 5.006 156 2HE LYS 18 2HE LYS 18 -14.199 -9.843 6.560 157 1HZ LYS 18 1HZ LYS 18 -13.649 -7.749 5.522 158 2HZ LYS 18 2HZ LYS 18 -12.298 -8.682 5.624 159 3HZ LYS 18 3HZ LYS 18 -13.070 -8.512 4.183 160 H CYS 19 H CYS 19 -8.756 -11.030 4.617 161 HA CYS 19 HA CYS 19 -8.742 -13.293 3.078 162 1HB CYS 19 1HB CYS 19 -7.857 -11.232 2.242 163 2HB CYS 19 2HB CYS 19 -6.586 -11.215 3.467 164 H LYS 20 H LYS 20 -6.309 -12.569 5.591 165 HA LYS 20 HA LYS 20 -4.983 -15.184 5.227 166 1HB LYS 20 1HB LYS 20 -4.402 -12.921 7.166 167 2HB LYS 20 2HB LYS 20 -3.346 -14.288 6.788 168 1HG LYS 20 1HG LYS 20 -4.136 -12.017 4.914 169 2HG LYS 20 2HG LYS 20 -2.563 -12.286 5.670 170 1HD LYS 20 1HD LYS 20 -2.444 -14.512 4.440 171 2HD LYS 20 2HD LYS 20 -3.890 -14.026 3.539 172 1HE LYS 20 1HE LYS 20 -1.218 -12.537 3.594 173 2HE LYS 20 2HE LYS 20 -1.845 -13.519 2.261 174 1HZ LYS 20 1HZ LYS 20 -2.234 -11.228 1.869 175 2HZ LYS 20 2HZ LYS 20 -3.678 -11.998 2.075 176 3HZ LYS 20 3HZ LYS 20 -3.066 -11.060 3.282 177 H ILE 21 H ILE 21 -7.737 -14.317 6.903 178 HA ILE 21 HA ILE 21 -8.897 -15.092 8.618 179 HB ILE 21 HB ILE 21 -6.922 -17.386 8.892 180 1HG1 ILE 21 1HG1 ILE 21 -7.732 -17.346 6.579 181 2HG1 ILE 21 2HG1 ILE 21 -8.373 -18.709 7.484 182 1HG2 ILE 21 1HG2 ILE 21 -8.332 -17.212 10.829 183 2HG2 ILE 21 2HG2 ILE 21 -9.786 -17.025 9.833 184 3HG2 ILE 21 3HG2 ILE 21 -8.899 -18.564 9.842 185 1HD1 ILE 21 1HD1 ILE 21 -10.555 -17.566 7.722 186 2HD1 ILE 21 2HD1 ILE 21 -9.917 -16.155 6.849 187 3HD1 ILE 21 3HD1 ILE 21 -10.073 -17.710 6.026 188 H ILE 22 H ILE 22 -5.463 -15.532 9.523 189 HA ILE 22 HA ILE 22 -5.947 -14.484 12.208 190 HB ILE 22 HB ILE 22 -4.324 -16.292 11.783 191 1HG1 ILE 22 1HG1 ILE 22 -2.451 -15.451 13.124 192 2HG1 ILE 22 2HG1 ILE 22 -2.996 -13.785 12.914 193 1HG2 ILE 22 1HG2 ILE 22 -3.406 -15.487 9.593 194 2HG2 ILE 22 2HG2 ILE 22 -2.556 -14.192 10.458 195 3HG2 ILE 22 3HG2 ILE 22 -2.158 -15.886 10.773 196 1HD1 ILE 22 1HD1 ILE 22 -4.641 -15.992 14.243 197 2HD1 ILE 22 2HD1 ILE 22 -3.616 -14.833 15.111 198 3HD1 ILE 22 3HD1 ILE 22 -5.024 -14.252 14.216 199 1H ASN 1 1H ASN 1 9.833 16.237 -5.177 200 2H ASN 1 2H ASN 1 11.254 15.419 -5.059 201 3H ASN 1 3H ASN 1 10.398 15.775 -3.700 202 HA ASN 1 HA ASN 1 9.560 13.995 -5.874 203 1HB ASN 1 1HB ASN 1 11.384 13.051 -4.558 204 2HB ASN 1 2HB ASN 1 10.495 13.308 -3.057 205 1HD2 ASN 1 1HD2 ASN 1 11.277 10.944 -5.298 206 2HD2 ASN 1 2HD2 ASN 1 9.906 9.888 -5.002 207 H LEU 2 H LEU 2 8.801 14.404 -2.427 208 HA LEU 2 HA LEU 2 6.844 14.023 -1.304 209 1HB LEU 2 1HB LEU 2 6.336 16.593 -2.844 210 2HB LEU 2 2HB LEU 2 5.530 16.116 -1.342 211 HG LEU 2 HG LEU 2 8.518 16.665 -1.688 212 1HD1 LEU 2 1HD1 LEU 2 6.319 18.273 -0.327 213 2HD1 LEU 2 2HD1 LEU 2 8.046 18.686 -0.375 214 3HD1 LEU 2 3HD1 LEU 2 7.099 18.676 -1.872 215 1HD2 LEU 2 1HD2 LEU 2 8.535 16.634 0.821 216 2HD2 LEU 2 2HD2 LEU 2 6.877 16.003 0.802 217 3HD2 LEU 2 3HD2 LEU 2 8.216 15.044 0.129 218 H VAL 3 H VAL 3 5.079 15.528 -3.972 219 HA VAL 3 HA VAL 3 2.817 13.884 -3.720 220 HB VAL 3 HB VAL 3 2.151 14.739 -5.919 221 1HG1 VAL 3 1HG1 VAL 3 2.046 17.091 -5.299 222 2HG1 VAL 3 2HG1 VAL 3 1.812 16.077 -3.866 223 3HG1 VAL 3 3HG1 VAL 3 3.369 16.891 -4.135 224 1HG2 VAL 3 1HG2 VAL 3 3.557 16.385 -7.110 225 2HG2 VAL 3 2HG2 VAL 3 4.921 16.026 -6.039 226 3HG2 VAL 3 3HG2 VAL 3 4.287 14.780 -7.136 227 H SER 4 H SER 4 5.726 13.405 -5.674 228 HA SER 4 HA SER 4 4.862 11.240 -7.282 229 1HB SER 4 1HB SER 4 7.696 11.487 -6.233 230 2HB SER 4 2HB SER 4 7.121 10.881 -7.786 231 HG SER 4 HG SER 4 7.146 13.573 -6.845 232 H GLY 5 H GLY 5 6.766 11.121 -4.208 233 1HA GLY 5 1HA GLY 5 6.581 8.407 -3.593 234 2HA GLY 5 2HA GLY 5 6.667 9.731 -2.419 235 H LEU 6 H LEU 6 4.285 11.050 -2.676 236 HA LEU 6 HA LEU 6 2.465 9.446 -1.269 237 1HB LEU 6 1HB LEU 6 2.425 11.901 -1.265 238 2HB LEU 6 2HB LEU 6 1.881 11.905 -2.946 239 HG LEU 6 HG LEU 6 -0.228 10.773 -2.297 240 1HD1 LEU 6 1HD1 LEU 6 -0.823 10.697 0.134 241 2HD1 LEU 6 2HD1 LEU 6 0.439 9.540 -0.288 242 3HD1 LEU 6 3HD1 LEU 6 0.866 11.056 0.541 243 1HD2 LEU 6 1HD2 LEU 6 0.387 13.294 -0.705 244 2HD2 LEU 6 2HD2 LEU 6 -0.089 13.231 -2.416 245 3HD2 LEU 6 3HD2 LEU 6 -1.224 12.705 -1.162 246 H ILE 7 H ILE 7 2.207 10.312 -4.808 247 HA ILE 7 HA ILE 7 -0.071 8.613 -5.138 248 HB ILE 7 HB ILE 7 0.133 8.841 -7.492 249 1HG1 ILE 7 1HG1 ILE 7 2.791 10.234 -7.040 250 2HG1 ILE 7 2HG1 ILE 7 2.562 8.655 -7.799 251 1HG2 ILE 7 1HG2 ILE 7 -0.255 11.214 -7.609 252 2HG2 ILE 7 2HG2 ILE 7 -0.840 10.634 -6.051 253 3HG2 ILE 7 3HG2 ILE 7 0.699 11.508 -6.143 254 1HD1 ILE 7 1HD1 ILE 7 2.885 10.268 -9.530 255 2HD1 ILE 7 2HD1 ILE 7 1.187 9.753 -9.581 256 3HD1 ILE 7 3HD1 ILE 7 1.628 11.333 -8.884 257 H GLU 8 H GLU 8 3.428 7.868 -5.585 258 HA GLU 8 HA GLU 8 2.944 5.207 -6.569 259 1HB GLU 8 1HB GLU 8 5.285 6.439 -5.062 260 2HB GLU 8 2HB GLU 8 5.298 4.792 -5.711 261 1HG GLU 8 1HG GLU 8 4.884 7.314 -7.391 262 2HG GLU 8 2HG GLU 8 6.391 6.404 -7.251 263 H ALA 9 H ALA 9 3.419 6.377 -3.206 264 HA ALA 9 HA ALA 9 3.072 3.855 -1.926 265 1HB ALA 9 1HB ALA 9 4.001 5.885 -0.867 266 2HB ALA 9 2HB ALA 9 2.398 6.643 -0.914 267 3HB ALA 9 3HB ALA 9 2.678 5.187 0.072 268 H ARG 10 H ARG 10 0.678 6.350 -2.891 269 HA ARG 10 HA ARG 10 -1.641 4.965 -1.995 270 1HB ARG 10 1HB ARG 10 -1.495 7.346 -2.639 271 2HB ARG 10 2HB ARG 10 -1.401 6.872 -4.342 272 1HG ARG 10 1HG ARG 10 -3.612 5.830 -4.243 273 2HG ARG 10 2HG ARG 10 -3.707 6.100 -2.492 274 1HD ARG 10 1HD ARG 10 -3.487 8.299 -4.588 275 2HD ARG 10 2HD ARG 10 -4.996 7.787 -3.800 276 HE ARG 10 HE ARG 10 -3.235 8.347 -1.710 277 1HH1 ARG 10 1HH1 ARG 10 -4.649 10.272 -4.356 278 2HH1 ARG 10 2HH1 ARG 10 -4.544 11.747 -3.381 279 1HH2 ARG 10 1HH2 ARG 10 -3.140 10.299 -0.595 280 2HH2 ARG 10 2HH2 ARG 10 -3.722 11.764 -1.385 281 H LYS 11 H LYS 11 0.129 4.762 -5.128 282 HA LYS 11 HA LYS 11 -1.647 2.922 -6.372 283 1HB LYS 11 1HB LYS 11 0.178 4.297 -7.443 284 2HB LYS 11 2HB LYS 11 1.351 3.125 -6.818 285 1HG LYS 11 1HG LYS 11 0.123 1.321 -8.063 286 2HG LYS 11 2HG LYS 11 -0.976 2.550 -8.711 287 1HD LYS 11 1HD LYS 11 0.953 3.735 -9.737 288 2HD LYS 11 2HD LYS 11 2.065 2.517 -9.102 289 1HE LYS 11 1HE LYS 11 -0.236 1.938 -11.036 290 2HE LYS 11 2HE LYS 11 1.455 2.167 -11.511 291 1HZ LYS 11 1HZ LYS 11 0.466 0.044 -9.737 292 2HZ LYS 11 2HZ LYS 11 0.930 -0.136 -11.304 293 3HZ LYS 11 3HZ LYS 11 2.037 0.285 -10.160 294 H TYR 12 H TYR 12 1.255 2.356 -4.329 295 HA TYR 12 HA TYR 12 1.178 -0.496 -4.232 296 1HB TYR 12 1HB TYR 12 3.027 0.853 -3.467 297 2HB TYR 12 2HB TYR 12 2.062 1.579 -2.208 298 HD1 TYR 12 1HD TYR 12 1.539 0.399 -0.137 299 HD2 TYR 12 2HD TYR 12 3.979 -1.397 -3.191 300 HE1 TYR 12 1HE TYR 12 2.710 -0.936 1.591 301 HE2 TYR 12 2HE TYR 12 5.206 -2.672 -1.446 302 HH TYR 12 HH TYR 12 4.841 -1.999 2.010 303 H LEU 13 H LEU 13 -0.289 1.831 -1.921 304 HA LEU 13 HA LEU 13 -1.820 0.120 -0.343 305 1HB LEU 13 1HB LEU 13 -1.423 2.559 -0.013 306 2HB LEU 13 2HB LEU 13 -2.497 2.897 -1.365 307 HG LEU 13 HG LEU 13 -4.379 1.814 -0.068 308 1HD1 LEU 13 1HD1 LEU 13 -4.042 1.720 2.427 309 2HD1 LEU 13 2HD1 LEU 13 -3.039 0.535 1.575 310 3HD1 LEU 13 3HD1 LEU 13 -2.325 2.045 2.188 311 1HD2 LEU 13 1HD2 LEU 13 -4.119 4.250 -0.255 312 2HD2 LEU 13 2HD2 LEU 13 -4.696 3.804 1.363 313 3HD2 LEU 13 3HD2 LEU 13 -2.995 4.248 1.122 314 H GLU 14 H GLU 14 -2.830 1.663 -3.401 315 HA GLU 14 HA GLU 14 -5.449 0.599 -3.555 316 1HB GLU 14 1HB GLU 14 -4.640 2.593 -4.735 317 2HB GLU 14 2HB GLU 14 -3.566 1.595 -5.729 318 1HG GLU 14 1HG GLU 14 -5.553 0.434 -6.700 319 2HG GLU 14 2HG GLU 14 -6.617 1.412 -5.674 320 H GLN 15 H GLN 15 -2.401 -0.554 -5.141 321 HA GLN 15 HA GLN 15 -3.551 -2.843 -6.416 322 1HB GLN 15 1HB GLN 15 -0.775 -2.254 -5.358 323 2HB GLN 15 2HB GLN 15 -1.166 -3.742 -6.230 324 1HG GLN 15 1HG GLN 15 -1.764 -2.594 -8.232 325 2HG GLN 15 2HG GLN 15 -1.785 -1.016 -7.438 326 1HE2 GLN 15 1HE2 GLN 15 0.360 -0.493 -6.277 327 2HE2 GLN 15 2HE2 GLN 15 1.826 -0.789 -7.234 328 H LEU 16 H LEU 16 -2.093 -2.482 -3.138 329 HA LEU 16 HA LEU 16 -2.603 -5.145 -2.281 330 1HB LEU 16 1HB LEU 16 -2.462 -2.547 -0.730 331 2HB LEU 16 2HB LEU 16 -2.572 -4.136 0.035 332 HG LEU 16 HG LEU 16 -0.370 -3.527 -1.974 333 1HD1 LEU 16 1HD1 LEU 16 -0.258 -3.066 1.031 334 2HD1 LEU 16 2HD1 LEU 16 1.076 -2.903 -0.137 335 3HD1 LEU 16 3HD1 LEU 16 -0.296 -1.790 -0.206 336 1HD2 LEU 16 1HD2 LEU 16 0.821 -5.285 -0.709 337 2HD2 LEU 16 2HD2 LEU 16 -0.579 -5.484 0.362 338 3HD2 LEU 16 3HD2 LEU 16 -0.700 -5.910 -1.358 339 H HIS 17 H HIS 17 -4.782 -2.256 -1.965 340 HA HIS 17 HA HIS 17 -7.017 -3.627 -0.852 341 1HB HIS 17 1HB HIS 17 -6.891 -1.312 -2.827 342 2HB HIS 17 2HB HIS 17 -8.401 -1.993 -2.244 343 HD1 HIS 17 1HD HIS 17 -5.248 -0.880 -0.268 344 HD2 HIS 17 2HD HIS 17 -9.373 -0.200 -0.701 345 HE1 HIS 17 1HE HIS 17 -5.920 0.797 1.548 346 H ARG 18 H ARG 18 -6.351 -3.083 -4.341 347 HA ARG 18 HA ARG 18 -8.488 -4.549 -5.371 348 1HB ARG 18 1HB ARG 18 -7.139 -3.002 -6.641 349 2HB ARG 18 2HB ARG 18 -5.724 -4.055 -6.557 350 1HG ARG 18 1HG ARG 18 -8.280 -5.182 -7.717 351 2HG ARG 18 2HG ARG 18 -7.383 -4.005 -8.673 352 1HD ARG 18 1HD ARG 18 -5.391 -5.316 -8.697 353 2HD ARG 18 2HD ARG 18 -6.009 -6.489 -7.548 354 HE ARG 18 HE ARG 18 -6.562 -6.346 -10.393 355 1HH1 ARG 18 1HH1 ARG 18 -7.964 -7.512 -7.305 356 2HH1 ARG 18 2HH1 ARG 18 -8.728 -8.870 -8.119 357 1HH2 ARG 18 1HH2 ARG 18 -7.677 -8.083 -11.319 358 2HH2 ARG 18 2HH2 ARG 18 -8.626 -9.151 -10.304 359 H LYS 19 H LYS 19 -5.237 -5.805 -4.522 360 HA LYS 19 HA LYS 19 -5.788 -8.512 -5.366 361 1HB LYS 19 1HB LYS 19 -3.534 -7.569 -5.119 362 2HB LYS 19 2HB LYS 19 -3.783 -7.395 -3.373 363 1HG LYS 19 1HG LYS 19 -3.973 -9.859 -3.136 364 2HG LYS 19 2HG LYS 19 -3.914 -10.042 -4.890 365 1HD LYS 19 1HD LYS 19 -1.739 -10.584 -3.903 366 2HD LYS 19 2HD LYS 19 -1.625 -9.186 -4.976 367 1HE LYS 19 1HE LYS 19 -0.295 -8.885 -2.915 368 2HE LYS 19 2HE LYS 19 -1.551 -7.653 -3.054 369 1HZ LYS 19 1HZ LYS 19 -1.713 -10.094 -1.415 370 2HZ LYS 19 2HZ LYS 19 -1.415 -8.574 -0.850 371 3HZ LYS 19 3HZ LYS 19 -2.876 -8.931 -1.521 372 H LEU 20 H LEU 20 -5.724 -7.002 -2.088 373 HA LEU 20 HA LEU 20 -6.448 -9.405 -0.738 374 1HB LEU 20 1HB LEU 20 -6.641 -6.506 0.116 375 2HB LEU 20 2HB LEU 20 -6.815 -7.881 1.213 376 HG LEU 20 HG LEU 20 -4.292 -7.476 -0.459 377 1HD1 LEU 20 1HD1 LEU 20 -4.918 -6.514 2.350 378 2HD1 LEU 20 2HD1 LEU 20 -3.307 -6.502 1.591 379 3HD1 LEU 20 3HD1 LEU 20 -4.611 -5.506 0.926 380 1HD2 LEU 20 1HD2 LEU 20 -4.557 -9.758 0.404 381 2HD2 LEU 20 2HD2 LEU 20 -3.292 -8.909 1.298 382 3HD2 LEU 20 3HD2 LEU 20 -4.892 -9.126 2.028 383 H LYS 21 H LYS 21 -8.508 -6.770 -2.002 384 HA LYS 21 HA LYS 21 -10.999 -7.845 -1.000 385 1HB LYS 21 1HB LYS 21 -10.348 -6.117 -3.416 386 2HB LYS 21 2HB LYS 21 -11.987 -6.471 -2.868 387 1HG LYS 21 1HG LYS 21 -9.907 -5.060 -1.141 388 2HG LYS 21 2HG LYS 21 -11.089 -4.238 -2.164 389 1HD LYS 21 1HD LYS 21 -12.942 -5.342 -0.882 390 2HD LYS 21 2HD LYS 21 -11.738 -6.090 0.176 391 1HE LYS 21 1HE LYS 21 -10.850 -3.738 0.662 392 2HE LYS 21 2HE LYS 21 -12.287 -3.118 -0.177 393 1HZ LYS 21 1HZ LYS 21 -12.685 -3.243 2.139 394 2HZ LYS 21 2HZ LYS 21 -13.591 -4.429 1.433 395 3HZ LYS 21 3HZ LYS 21 -12.183 -4.809 2.220 396 H ASN 22 H ASN 22 -8.931 -8.770 -3.722 397 HA ASN 22 HA ASN 22 -11.000 -10.409 -4.977 398 1HB ASN 22 1HB ASN 22 -8.894 -9.280 -6.013 399 2HB ASN 22 2HB ASN 22 -8.030 -10.720 -5.473 400 1HD2 ASN 22 1HD2 ASN 22 -10.181 -12.680 -5.951 401 2HD2 ASN 22 2HD2 ASN 22 -10.358 -12.717 -7.702 402 H CYS 23 H CYS 23 -8.295 -10.873 -2.714 403 HA CYS 23 HA CYS 23 -8.566 -13.740 -2.397 404 1HB CYS 23 1HB CYS 23 -6.567 -12.565 -1.619 405 2HB CYS 23 2HB CYS 23 -7.538 -11.567 -0.542 406 H LYS 24 H LYS 24 -9.577 -11.142 -0.162 407 HA LYS 24 HA LYS 24 -11.189 -10.907 1.350 408 1HB LYS 24 1HB LYS 24 -12.395 -10.629 -0.681 409 2HB LYS 24 2HB LYS 24 -12.762 -12.362 -0.792 410 1HG LYS 24 1HG LYS 24 -14.231 -12.252 1.113 411 2HG LYS 24 2HG LYS 24 -13.648 -10.639 1.550 412 1HD LYS 24 1HD LYS 24 -15.874 -10.574 0.507 413 2HD LYS 24 2HD LYS 24 -14.692 -9.634 -0.407 414 1HE LYS 24 1HE LYS 24 -15.301 -12.514 -1.183 415 2HE LYS 24 2HE LYS 24 -16.385 -11.202 -1.662 416 1HZ LYS 24 1HZ LYS 24 -13.530 -11.304 -2.330 417 2HZ LYS 24 2HZ LYS 24 -14.781 -11.631 -3.347 418 3HZ LYS 24 3HZ LYS 24 -14.578 -10.113 -2.739 419 H VAL 25 H VAL 25 -11.958 -14.237 0.293 420 HA VAL 25 HA VAL 25 -13.282 -15.715 1.515 421 HB VAL 25 HB VAL 25 -11.793 -17.106 2.960 422 1HG1 VAL 25 1HG1 VAL 25 -10.672 -16.306 0.247 423 2HG1 VAL 25 2HG1 VAL 25 -10.362 -17.819 1.117 424 3HG1 VAL 25 3HG1 VAL 25 -11.994 -17.456 0.534 425 1HG2 VAL 25 1HG2 VAL 25 -10.292 -15.228 3.794 426 2HG2 VAL 25 2HG2 VAL 25 -9.436 -16.625 3.124 427 3HG2 VAL 25 3HG2 VAL 25 -9.603 -15.155 2.154 428 1H GLU 1 1H GLU 1 -5.973 16.418 -2.353 429 2H GLU 1 2H GLU 1 -4.773 17.414 -1.833 430 3H GLU 1 3H GLU 1 -5.761 16.688 -0.737 431 HA GLU 1 HA GLU 1 -3.810 15.407 -2.514 432 1HB GLU 1 1HB GLU 1 -3.852 15.670 0.525 433 2HB GLU 1 2HB GLU 1 -2.669 14.744 -0.403 434 1HG GLU 1 1HG GLU 1 -3.077 17.770 -0.567 435 2HG GLU 1 2HG GLU 1 -1.762 16.927 0.250 436 H ASN 2 H ASN 2 -6.256 14.779 0.001 437 HA ASN 2 HA ASN 2 -7.455 12.959 0.563 438 1HB ASN 2 1HB ASN 2 -7.736 12.780 -2.002 439 2HB ASN 2 2HB ASN 2 -6.538 11.477 -1.933 440 1HD2 ASN 2 1HD2 ASN 2 -8.814 10.700 -3.003 441 2HD2 ASN 2 2HD2 ASN 2 -9.786 9.810 -1.836 442 H ARG 3 H ARG 3 -7.052 10.375 0.857 443 HA ARG 3 HA ARG 3 -5.719 9.467 2.742 444 1HB ARG 3 1HB ARG 3 -5.299 8.268 -0.015 445 2HB ARG 3 2HB ARG 3 -4.872 7.464 1.501 446 1HG ARG 3 1HG ARG 3 -7.271 7.675 2.244 447 2HG ARG 3 2HG ARG 3 -7.678 8.268 0.621 448 1HD ARG 3 1HD ARG 3 -6.833 6.199 -0.390 449 2HD ARG 3 2HD ARG 3 -6.264 5.631 1.194 450 HE ARG 3 HE ARG 3 -9.084 6.205 1.260 451 1HH1 ARG 3 1HH1 ARG 3 -6.838 3.787 0.006 452 2HH1 ARG 3 2HH1 ARG 3 -7.905 2.433 0.347 453 1HH2 ARG 3 1HH2 ARG 3 -10.512 4.457 1.539 454 2HH2 ARG 3 2HH2 ARG 3 -10.008 2.839 1.103 455 H GLU 4 H GLU 4 -4.002 10.451 3.759 456 HA GLU 4 HA GLU 4 -1.367 10.753 2.568 457 1HB GLU 4 1HB GLU 4 -2.448 11.868 4.678 458 2HB GLU 4 2HB GLU 4 -1.975 10.403 5.527 459 1HG GLU 4 1HG GLU 4 -0.139 12.337 4.013 460 2HG GLU 4 2HG GLU 4 -0.353 12.268 5.763 461 H VAL 5 H VAL 5 0.384 9.213 2.752 462 HA VAL 5 HA VAL 5 -0.334 6.466 3.688 463 HB VAL 5 HB VAL 5 1.018 6.947 1.031 464 1HG1 VAL 5 1HG1 VAL 5 0.490 4.515 0.776 465 2HG1 VAL 5 2HG1 VAL 5 1.540 4.809 2.172 466 3HG1 VAL 5 3HG1 VAL 5 -0.195 4.497 2.407 467 1HG2 VAL 5 1HG2 VAL 5 -1.236 7.716 0.719 468 2HG2 VAL 5 2HG2 VAL 5 -1.131 6.088 0.057 469 3HG2 VAL 5 3HG2 VAL 5 -1.900 6.346 1.638 470 HA PRO 6 HA PRO 6 3.600 8.042 5.314 471 1HB PRO 6 1HB PRO 6 3.609 6.892 7.807 472 2HB PRO 6 2HB PRO 6 2.571 8.278 7.373 473 1HG PRO 6 1HG PRO 6 1.810 5.343 7.355 474 2HG PRO 6 2HG PRO 6 0.935 6.686 8.145 475 1HD PRO 6 1HD PRO 6 0.230 5.774 5.701 476 2HD PRO 6 2HD PRO 6 0.170 7.526 6.055 477 HA PRO 7 HA PRO 7 6.221 4.701 4.048 478 1HB PRO 7 1HB PRO 7 8.576 5.200 5.403 479 2HB PRO 7 2HB PRO 7 7.991 6.157 4.015 480 1HG PRO 7 1HG PRO 7 7.631 6.784 6.958 481 2HG PRO 7 2HG PRO 7 8.226 7.872 5.671 482 1HD PRO 7 1HD PRO 7 5.651 7.955 6.452 483 2HD PRO 7 2HD PRO 7 6.044 8.058 4.710 484 H GLY 8 H GLY 8 5.864 5.260 7.538 485 1HA GLY 8 1HA GLY 8 6.614 2.807 8.647 486 2HA GLY 8 2HA GLY 8 5.256 3.798 9.198 487 H PHE 9 H PHE 9 3.594 3.573 6.828 488 HA PHE 9 HA PHE 9 2.343 0.981 7.349 489 1HB PHE 9 1HB PHE 9 0.781 2.604 6.828 490 2HB PHE 9 2HB PHE 9 1.769 3.348 5.587 491 HD1 PHE 9 1HD PHE 9 -0.068 0.159 6.281 492 HD2 PHE 9 2HD PHE 9 1.595 2.787 3.316 493 HE1 PHE 9 1HE PHE 9 -1.196 -1.144 4.497 494 HE2 PHE 9 2HE PHE 9 0.472 1.499 1.530 495 HZ PHE 9 HZ PHE 9 -0.842 -0.535 2.106 496 H THR 10 H THR 10 4.106 2.420 4.539 497 HA THR 10 HA THR 10 4.125 0.214 2.874 498 HB THR 10 HB THR 10 6.492 2.088 3.258 499 HG1 THR 10 1HG THR 10 5.266 3.383 1.749 500 1HG2 THR 10 1HG2 THR 10 6.768 0.220 1.592 501 2HG2 THR 10 2HG2 THR 10 5.301 0.791 0.766 502 3HG2 THR 10 3HG2 THR 10 6.740 1.822 0.834 503 H ALA 11 H ALA 11 6.470 1.013 5.420 504 HA ALA 11 HA ALA 11 8.109 -1.306 5.271 505 1HB ALA 11 1HB ALA 11 8.729 0.848 6.327 506 2HB ALA 11 2HB ALA 11 7.574 0.528 7.637 507 3HB ALA 11 3HB ALA 11 8.977 -0.537 7.400 508 H LEU 12 H LEU 12 5.261 -0.593 7.391 509 HA LEU 12 HA LEU 12 5.135 -3.013 8.799 510 1HB LEU 12 1HB LEU 12 3.709 -1.047 9.160 511 2HB LEU 12 2HB LEU 12 2.761 -1.435 7.730 512 HG LEU 12 HG LEU 12 3.099 -3.434 10.001 513 1HD1 LEU 12 1HD1 LEU 12 0.956 -1.300 9.710 514 2HD1 LEU 12 2HD1 LEU 12 1.017 -2.564 10.956 515 3HD1 LEU 12 3HD1 LEU 12 2.249 -1.301 10.925 516 1HD2 LEU 12 1HD2 LEU 12 0.964 -3.046 7.842 517 2HD2 LEU 12 2HD2 LEU 12 2.062 -4.433 8.002 518 3HD2 LEU 12 3HD2 LEU 12 0.815 -4.164 9.209 519 H ILE 13 H ILE 13 3.569 -2.301 5.625 520 HA ILE 13 HA ILE 13 2.721 -4.979 5.168 521 HB ILE 13 HB ILE 13 3.383 -2.764 3.223 522 1HG1 ILE 13 1HG1 ILE 13 1.537 -2.222 4.732 523 2HG1 ILE 13 2HG1 ILE 13 1.010 -2.413 3.064 524 1HG2 ILE 13 1HG2 ILE 13 2.091 -5.473 2.711 525 2HG2 ILE 13 2HG2 ILE 13 1.962 -4.094 1.604 526 3HG2 ILE 13 3HG2 ILE 13 3.540 -4.797 1.942 527 1HD1 ILE 13 1HD1 ILE 13 0.614 -4.458 5.300 528 2HD1 ILE 13 2HD1 ILE 13 -0.600 -3.400 4.597 529 3HD1 ILE 13 3HD1 ILE 13 0.112 -4.677 3.604 530 H LYS 14 H LYS 14 5.836 -3.451 4.124 531 HA LYS 14 HA LYS 14 6.895 -5.765 2.876 532 1HB LYS 14 1HB LYS 14 8.267 -3.574 4.465 533 2HB LYS 14 2HB LYS 14 9.135 -4.867 3.623 534 1HG LYS 14 1HG LYS 14 8.240 -4.200 1.473 535 2HG LYS 14 2HG LYS 14 7.138 -3.050 2.225 536 1HD LYS 14 1HD LYS 14 9.000 -1.849 1.259 537 2HD LYS 14 2HD LYS 14 9.044 -1.684 3.020 538 1HE LYS 14 1HE LYS 14 10.826 -3.391 3.164 539 2HE LYS 14 2HE LYS 14 10.708 -3.691 1.418 540 1HZ LYS 14 1HZ LYS 14 11.401 -1.433 1.058 541 2HZ LYS 14 2HZ LYS 14 11.501 -1.158 2.679 542 3HZ LYS 14 3HZ LYS 14 12.516 -2.239 1.964 543 H THR 15 H THR 15 7.159 -4.891 6.379 544 HA THR 15 HA THR 15 8.397 -7.378 7.069 545 HB THR 15 HB THR 15 7.775 -6.857 9.409 546 HG1 THR 15 1HG THR 15 6.067 -5.134 8.218 547 1HG2 THR 15 1HG2 THR 15 9.238 -4.909 9.562 548 2HG2 THR 15 2HG2 THR 15 9.871 -6.066 8.385 549 3HG2 THR 15 3HG2 THR 15 9.047 -4.600 7.820 550 H LEU 16 H LEU 16 4.965 -6.533 6.799 551 HA LEU 16 HA LEU 16 3.901 -8.897 7.968 552 1HB LEU 16 1HB LEU 16 2.725 -6.744 7.317 553 2HB LEU 16 2HB LEU 16 2.700 -7.309 5.655 554 HG LEU 16 HG LEU 16 1.560 -9.020 7.896 555 1HD1 LEU 16 1HD1 LEU 16 0.158 -6.777 6.389 556 2HD1 LEU 16 2HD1 LEU 16 -0.625 -7.948 7.477 557 3HD1 LEU 16 3HD1 LEU 16 0.547 -6.795 8.122 558 1HD2 LEU 16 1HD2 LEU 16 1.741 -10.146 5.706 559 2HD2 LEU 16 2HD2 LEU 16 0.056 -9.769 6.023 560 3HD2 LEU 16 3HD2 LEU 16 0.982 -8.759 4.901 561 H ARG 17 H ARG 17 4.661 -8.132 4.537 562 HA ARG 17 HA ARG 17 4.162 -10.777 3.543 563 1HB ARG 17 1HB ARG 17 5.952 -8.550 2.491 564 2HB ARG 17 2HB ARG 17 5.570 -10.030 1.607 565 1HG ARG 17 1HG ARG 17 3.587 -7.876 2.474 566 2HG ARG 17 2HG ARG 17 4.162 -8.210 0.841 567 1HD ARG 17 1HD ARG 17 2.356 -9.954 2.570 568 2HD ARG 17 2HD ARG 17 1.933 -9.153 1.075 569 HE ARG 17 HE ARG 17 3.364 -11.685 1.412 570 1HH1 ARG 17 1HH1 ARG 17 2.845 -9.048 -0.863 571 2HH1 ARG 17 2HH1 ARG 17 3.277 -10.014 -2.257 572 1HH2 ARG 17 1HH2 ARG 17 3.972 -12.875 -0.323 573 2HH2 ARG 17 2HH2 ARG 17 3.911 -12.224 -1.953 574 H LYS 18 H LYS 18 7.254 -9.292 4.679 575 HA LYS 18 HA LYS 18 8.911 -11.548 4.364 576 1HB LYS 18 1HB LYS 18 9.664 -9.310 5.148 577 2HB LYS 18 2HB LYS 18 8.803 -9.589 6.662 578 1HG LYS 18 1HG LYS 18 10.323 -11.703 6.944 579 2HG LYS 18 2HG LYS 18 11.244 -11.048 5.602 580 1HD LYS 18 1HD LYS 18 12.217 -10.468 7.783 581 2HD LYS 18 2HD LYS 18 11.747 -9.017 6.899 582 1HE LYS 18 1HE LYS 18 11.213 -9.060 9.411 583 2HE LYS 18 2HE LYS 18 9.891 -8.599 8.347 584 1HZ LYS 18 1HZ LYS 18 10.258 -11.264 9.522 585 2HZ LYS 18 2HZ LYS 18 9.157 -10.120 9.981 586 3HZ LYS 18 3HZ LYS 18 9.042 -10.822 8.502 587 H CYS 19 H CYS 19 6.765 -10.786 7.162 588 HA CYS 19 HA CYS 19 7.419 -13.124 8.649 589 1HB CYS 19 1HB CYS 19 6.476 -11.076 9.612 590 2HB CYS 19 2HB CYS 19 4.963 -11.336 8.743 591 H LYS 20 H LYS 20 4.490 -12.456 6.656 592 HA LYS 20 HA LYS 20 3.488 -15.176 7.126 593 1HB LYS 20 1HB LYS 20 2.357 -12.871 5.492 594 2HB LYS 20 2HB LYS 20 1.553 -14.412 5.826 595 1HG LYS 20 1HG LYS 20 1.856 -13.897 8.324 596 2HG LYS 20 2HG LYS 20 2.300 -12.251 7.827 597 1HD LYS 20 1HD LYS 20 0.109 -12.085 6.594 598 2HD LYS 20 2HD LYS 20 -0.307 -13.713 7.153 599 1HE LYS 20 1HE LYS 20 -0.136 -12.938 9.523 600 2HE LYS 20 2HE LYS 20 0.210 -11.295 8.949 601 1HZ LYS 20 1HZ LYS 20 -2.103 -11.598 9.485 602 2HZ LYS 20 2HZ LYS 20 -1.932 -11.297 7.875 603 3HZ LYS 20 3HZ LYS 20 -2.245 -12.825 8.402 604 H ILE 21 H ILE 21 5.357 -13.678 4.584 605 HA ILE 21 HA ILE 21 6.103 -14.353 2.594 606 HB ILE 21 HB ILE 21 4.969 -17.128 3.092 607 1HG1 ILE 21 1HG1 ILE 21 6.445 -16.590 4.959 608 2HG1 ILE 21 2HG1 ILE 21 7.179 -17.769 3.883 609 1HG2 ILE 21 1HG2 ILE 21 7.086 -16.081 1.184 610 2HG2 ILE 21 2HG2 ILE 21 6.756 -17.795 1.507 611 3HG2 ILE 21 3HG2 ILE 21 5.510 -16.778 0.774 612 1HD1 ILE 21 1HD1 ILE 21 8.624 -16.010 2.901 613 2HD1 ILE 21 2HD1 ILE 21 7.864 -14.795 3.955 614 3HD1 ILE 21 3HD1 ILE 21 8.811 -16.111 4.658 615 H ILE 22 H ILE 22 2.924 -15.953 2.966 616 HA ILE 22 HA ILE 22 2.047 -15.157 0.311 617 HB ILE 22 HB ILE 22 1.261 -17.178 1.496 618 1HG1 ILE 22 1HG1 ILE 22 -1.004 -15.282 0.736 619 2HG1 ILE 22 2HG1 ILE 22 0.044 -16.128 -0.412 620 1HG2 ILE 22 1HG2 ILE 22 0.998 -16.146 3.782 621 2HG2 ILE 22 2HG2 ILE 22 -0.445 -15.305 3.195 622 3HG2 ILE 22 3HG2 ILE 22 -0.401 -17.075 3.262 623 1HD1 ILE 22 1HD1 ILE 22 -2.009 -17.361 -0.192 624 2HD1 ILE 22 2HD1 ILE 22 -0.709 -18.312 0.551 625 3HD1 ILE 22 3HD1 ILE 22 -1.869 -17.424 1.570 626 1H ASN 1 1H ASN 1 -6.567 5.455 16.630 627 2H ASN 1 2H ASN 1 -6.995 6.896 17.289 628 3H ASN 1 3H ASN 1 -7.432 5.495 18.036 629 HA ASN 1 HA ASN 1 -8.779 4.890 16.165 630 1HB ASN 1 1HB ASN 1 -10.644 6.279 16.684 631 2HB ASN 1 2HB ASN 1 -9.725 6.055 18.175 632 1HD2 ASN 1 1HD2 ASN 1 -8.673 7.964 19.134 633 2HD2 ASN 1 2HD2 ASN 1 -9.108 9.563 18.503 634 H LEU 2 H LEU 2 -9.783 5.442 14.196 635 HA LEU 2 HA LEU 2 -8.048 6.442 12.284 636 1HB LEU 2 1HB LEU 2 -9.784 4.835 11.805 637 2HB LEU 2 2HB LEU 2 -11.048 6.000 12.220 638 HG LEU 2 HG LEU 2 -10.471 7.383 10.263 639 1HD1 LEU 2 1HD1 LEU 2 -8.036 6.834 10.043 640 2HD1 LEU 2 2HD1 LEU 2 -8.468 5.181 9.565 641 3HD1 LEU 2 3HD1 LEU 2 -8.926 6.567 8.551 642 1HD2 LEU 2 1HD2 LEU 2 -12.157 5.590 10.099 643 2HD2 LEU 2 2HD2 LEU 2 -11.315 5.856 8.566 644 3HD2 LEU 2 3HD2 LEU 2 -10.899 4.452 9.571 645 H VAL 3 H VAL 3 -10.745 8.236 13.816 646 HA VAL 3 HA VAL 3 -10.566 10.370 11.832 647 HB VAL 3 HB VAL 3 -12.442 11.360 13.001 648 1HG1 VAL 3 1HG1 VAL 3 -14.066 9.609 12.525 649 2HG1 VAL 3 2HG1 VAL 3 -12.793 9.602 11.294 650 3HG1 VAL 3 3HG1 VAL 3 -12.805 8.365 12.569 651 1HG2 VAL 3 1HG2 VAL 3 -11.929 10.746 15.351 652 2HG2 VAL 3 2HG2 VAL 3 -13.554 10.250 14.871 653 3HG2 VAL 3 3HG2 VAL 3 -12.268 9.041 14.978 654 H SER 4 H SER 4 -9.422 10.001 15.128 655 HA SER 4 HA SER 4 -8.296 12.795 15.052 656 1HB SER 4 1HB SER 4 -8.904 13.047 17.399 657 2HB SER 4 2HB SER 4 -10.343 12.741 16.415 658 HG SER 4 HG SER 4 -10.208 10.527 17.079 659 H GLY 5 H GLY 5 -8.025 9.574 16.543 660 1HA GLY 5 1HA GLY 5 -5.758 10.293 18.135 661 2HA GLY 5 2HA GLY 5 -6.435 8.685 17.939 662 H LEU 6 H LEU 6 -4.611 11.054 16.015 663 HA LEU 6 HA LEU 6 -3.112 9.463 14.310 664 1HB LEU 6 1HB LEU 6 -3.212 11.997 14.608 665 2HB LEU 6 2HB LEU 6 -1.970 11.839 15.845 666 HG LEU 6 HG LEU 6 -1.752 10.996 12.920 667 1HD1 LEU 6 1HD1 LEU 6 -0.539 13.369 14.397 668 2HD1 LEU 6 2HD1 LEU 6 -0.303 12.969 12.683 669 3HD1 LEU 6 3HD1 LEU 6 -1.905 13.445 13.265 670 1HD2 LEU 6 1HD2 LEU 6 0.330 10.985 15.149 671 2HD2 LEU 6 2HD2 LEU 6 -0.174 9.623 14.113 672 3HD2 LEU 6 3HD2 LEU 6 0.745 10.953 13.424 673 H ILE 7 H ILE 7 -2.049 10.438 17.598 674 HA ILE 7 HA ILE 7 0.185 8.757 17.749 675 HB ILE 7 HB ILE 7 0.194 9.068 20.093 676 1HG1 ILE 7 1HG1 ILE 7 -2.083 8.723 20.805 677 2HG1 ILE 7 2HG1 ILE 7 -1.446 10.249 21.389 678 1HG2 ILE 7 1HG2 ILE 7 0.958 10.884 18.680 679 2HG2 ILE 7 2HG2 ILE 7 -0.649 11.628 18.684 680 3HG2 ILE 7 3HG2 ILE 7 0.274 11.499 20.192 681 1HD1 ILE 7 1HD1 ILE 7 -3.460 9.920 19.129 682 2HD1 ILE 7 2HD1 ILE 7 -3.741 10.552 20.750 683 3HD1 ILE 7 3HD1 ILE 7 -2.735 11.469 19.624 684 H GLU 8 H GLU 8 -3.192 7.929 18.635 685 HA GLU 8 HA GLU 8 -2.584 5.380 19.808 686 1HB GLU 8 1HB GLU 8 -5.108 6.369 18.432 687 2HB GLU 8 2HB GLU 8 -4.985 4.929 19.452 688 1HG GLU 8 1HG GLU 8 -4.342 6.403 21.376 689 2HG GLU 8 2HG GLU 8 -4.595 7.825 20.353 690 H ALA 9 H ALA 9 -3.756 6.282 16.541 691 HA ALA 9 HA ALA 9 -3.693 3.667 15.404 692 1HB ALA 9 1HB ALA 9 -3.383 6.379 14.057 693 2HB ALA 9 2HB ALA 9 -3.859 4.850 13.275 694 3HB ALA 9 3HB ALA 9 -4.925 5.598 14.478 695 H ARG 10 H ARG 10 -1.240 6.292 15.398 696 HA ARG 10 HA ARG 10 0.752 4.903 13.954 697 1HB ARG 10 1HB ARG 10 0.816 7.296 14.316 698 2HB ARG 10 2HB ARG 10 0.995 7.076 16.062 699 1HG ARG 10 1HG ARG 10 3.109 7.659 14.934 700 2HG ARG 10 2HG ARG 10 3.220 6.118 15.783 701 1HD ARG 10 1HD ARG 10 3.069 4.866 13.714 702 2HD ARG 10 2HD ARG 10 2.635 6.299 12.788 703 HE ARG 10 HE ARG 10 5.286 5.445 13.706 704 1HH1 ARG 10 1HH1 ARG 10 3.424 8.215 12.538 705 2HH1 ARG 10 2HH1 ARG 10 4.838 9.119 12.067 706 1HH2 ARG 10 1HH2 ARG 10 7.094 6.612 13.083 707 2HH2 ARG 10 2HH2 ARG 10 6.933 8.202 12.374 708 H LYS 11 H LYS 11 0.183 5.010 17.543 709 HA LYS 11 HA LYS 11 2.344 3.287 18.233 710 1HB LYS 11 1HB LYS 11 -0.310 3.900 19.549 711 2HB LYS 11 2HB LYS 11 0.850 2.764 20.255 712 1HG LYS 11 1HG LYS 11 2.568 4.429 20.430 713 2HG LYS 11 2HG LYS 11 1.645 5.595 19.475 714 1HD LYS 11 1HD LYS 11 -0.122 5.652 21.221 715 2HD LYS 11 2HD LYS 11 0.804 4.491 22.198 716 1HE LYS 11 1HE LYS 11 2.694 6.107 22.322 717 2HE LYS 11 2HE LYS 11 1.783 7.256 21.324 718 1HZ LYS 11 1HZ LYS 11 1.593 7.755 23.645 719 2HZ LYS 11 2HZ LYS 11 0.121 7.334 23.037 720 3HZ LYS 11 3HZ LYS 11 0.965 6.266 23.965 721 H TYR 12 H TYR 12 -1.091 2.421 17.472 722 HA TYR 12 HA TYR 12 -0.779 -0.400 17.641 723 1HB TYR 12 1HB TYR 12 -2.954 0.543 17.417 724 2HB TYR 12 2HB TYR 12 -2.541 1.361 15.920 725 HD1 TYR 12 1HD TYR 12 -2.628 0.252 13.790 726 HD2 TYR 12 2HD TYR 12 -3.206 -1.994 17.419 727 HE1 TYR 12 1HE TYR 12 -3.439 -1.684 12.462 728 HE2 TYR 12 2HE TYR 12 -4.017 -3.931 16.081 729 HH TYR 12 HH TYR 12 -4.191 -3.781 12.522 730 H LEU 13 H LEU 13 -0.422 1.659 14.731 731 HA LEU 13 HA LEU 13 0.427 -0.274 12.889 732 1HB LEU 13 1HB LEU 13 -0.304 2.019 12.448 733 2HB LEU 13 2HB LEU 13 1.190 2.673 13.108 734 HG LEU 13 HG LEU 13 1.082 0.821 10.690 735 1HD1 LEU 13 1HD1 LEU 13 1.077 3.862 10.794 736 2HD1 LEU 13 2HD1 LEU 13 1.247 2.874 9.326 737 3HD1 LEU 13 3HD1 LEU 13 -0.261 2.824 10.251 738 1HD2 LEU 13 1HD2 LEU 13 3.369 0.952 11.568 739 2HD2 LEU 13 2HD2 LEU 13 3.268 1.999 10.167 740 3HD2 LEU 13 3HD2 LEU 13 3.225 2.712 11.787 741 H GLU 14 H GLU 14 2.512 1.866 14.845 742 HA GLU 14 HA GLU 14 5.050 0.893 14.228 743 1HB GLU 14 1HB GLU 14 4.597 2.934 15.482 744 2HB GLU 14 2HB GLU 14 3.898 2.006 16.812 745 1HG GLU 14 1HG GLU 14 6.153 0.941 17.215 746 2HG GLU 14 2HG GLU 14 6.818 1.960 15.927 747 H GLN 15 H GLN 15 2.982 -0.169 17.005 748 HA GLN 15 HA GLN 15 4.781 -2.233 17.852 749 1HB GLN 15 1HB GLN 15 1.930 -1.484 18.414 750 2HB GLN 15 2HB GLN 15 2.449 -3.108 18.843 751 1HG GLN 15 1HG GLN 15 2.696 -1.347 20.675 752 2HG GLN 15 2HG GLN 15 4.067 -2.411 20.354 753 1HE2 GLN 15 1HE2 GLN 15 2.919 0.803 19.080 754 2HE2 GLN 15 2HE2 GLN 15 4.513 1.545 19.289 755 H LEU 16 H LEU 16 1.882 -2.445 15.721 756 HA LEU 16 HA LEU 16 2.054 -5.226 15.264 757 1HB LEU 16 1HB LEU 16 0.122 -3.866 14.696 758 2HB LEU 16 2HB LEU 16 1.043 -2.980 13.480 759 HG LEU 16 HG LEU 16 1.222 -4.961 12.079 760 1HD1 LEU 16 1HD1 LEU 16 -0.249 -6.409 14.334 761 2HD1 LEU 16 2HD1 LEU 16 -0.018 -7.063 12.701 762 3HD1 LEU 16 3HD1 LEU 16 1.384 -6.773 13.732 763 1HD2 LEU 16 1HD2 LEU 16 -1.135 -5.234 11.506 764 2HD2 LEU 16 2HD2 LEU 16 -1.624 -4.664 13.114 765 3HD2 LEU 16 3HD2 LEU 16 -0.850 -3.548 11.975 766 H HIS 17 H HIS 17 3.461 -2.570 13.287 767 HA HIS 17 HA HIS 17 4.968 -4.087 11.448 768 1HB HIS 17 1HB HIS 17 4.582 -1.692 11.270 769 2HB HIS 17 2HB HIS 17 5.480 -1.393 12.753 770 HD1 HIS 17 1HD HIS 17 7.024 -3.713 10.065 771 HD2 HIS 17 2HD HIS 17 7.148 0.254 11.510 772 HE1 HIS 17 1HE HIS 17 9.066 -2.593 9.023 773 H ARG 18 H ARG 18 6.015 -2.843 14.652 774 HA ARG 18 HA ARG 18 8.617 -3.928 14.698 775 1HB ARG 18 1HB ARG 18 8.019 -2.243 16.196 776 2HB ARG 18 2HB ARG 18 6.622 -3.110 16.810 777 1HG ARG 18 1HG ARG 18 9.282 -4.420 17.278 778 2HG ARG 18 2HG ARG 18 8.955 -2.914 18.139 779 1HD ARG 18 1HD ARG 18 6.855 -3.747 19.035 780 2HD ARG 18 2HD ARG 18 7.041 -5.289 18.207 781 HE ARG 18 HE ARG 18 8.338 -4.389 20.653 782 1HH1 ARG 18 1HH1 ARG 18 8.782 -6.549 17.895 783 2HH1 ARG 18 2HH1 ARG 18 9.761 -7.686 18.815 784 1HH2 ARG 18 1HH2 ARG 18 9.630 -5.871 21.785 785 2HH2 ARG 18 2HH2 ARG 18 10.245 -7.295 20.970 786 H LYS 19 H LYS 19 5.552 -5.480 15.842 787 HA LYS 19 HA LYS 19 6.882 -7.942 16.595 788 1HB LYS 19 1HB LYS 19 3.991 -7.376 15.853 789 2HB LYS 19 2HB LYS 19 4.572 -8.904 16.523 790 1HG LYS 19 1HG LYS 19 4.788 -6.213 17.946 791 2HG LYS 19 2HG LYS 19 3.501 -7.392 18.181 792 1HD LYS 19 1HD LYS 19 5.144 -9.064 19.000 793 2HD LYS 19 2HD LYS 19 6.470 -7.927 18.718 794 1HE LYS 19 1HE LYS 19 5.930 -7.885 21.058 795 2HE LYS 19 2HE LYS 19 5.500 -6.329 20.334 796 1HZ LYS 19 1HZ LYS 19 3.224 -7.061 20.270 797 2HZ LYS 19 2HZ LYS 19 3.628 -8.529 20.902 798 3HZ LYS 19 3HZ LYS 19 3.805 -7.163 21.807 799 H LEU 20 H LEU 20 5.175 -6.993 13.576 800 HA LEU 20 HA LEU 20 5.707 -9.445 12.192 801 1HB LEU 20 1HB LEU 20 5.247 -6.627 11.171 802 2HB LEU 20 2HB LEU 20 5.279 -8.061 10.140 803 HG LEU 20 HG LEU 20 3.320 -7.740 12.461 804 1HD1 LEU 20 1HD1 LEU 20 2.948 -7.183 9.502 805 2HD1 LEU 20 2HD1 LEU 20 1.665 -7.148 10.727 806 3HD1 LEU 20 3HD1 LEU 20 2.987 -5.964 10.786 807 1HD2 LEU 20 1HD2 LEU 20 3.421 -9.676 10.110 808 2HD2 LEU 20 2HD2 LEU 20 3.610 -10.081 11.827 809 3HD2 LEU 20 3HD2 LEU 20 2.057 -9.495 11.229 810 H LYS 21 H LYS 21 7.793 -6.611 12.688 811 HA LYS 21 HA LYS 21 9.903 -7.562 10.960 812 1HB LYS 21 1HB LYS 21 9.648 -5.231 11.844 813 2HB LYS 21 2HB LYS 21 10.130 -5.810 13.439 814 1HG LYS 21 1HG LYS 21 12.300 -6.581 12.505 815 2HG LYS 21 2HG LYS 21 11.801 -6.024 10.893 816 1HD LYS 21 1HD LYS 21 11.532 -3.704 11.799 817 2HD LYS 21 2HD LYS 21 12.119 -4.257 13.373 818 1HE LYS 21 1HE LYS 21 13.691 -4.382 10.748 819 2HE LYS 21 2HE LYS 21 13.889 -3.150 12.003 820 1HZ LYS 21 1HZ LYS 21 14.371 -6.025 12.348 821 2HZ LYS 21 2HZ LYS 21 15.520 -4.852 12.219 822 3HZ LYS 21 3HZ LYS 21 14.518 -4.884 13.526 823 H ASN 22 H ASN 22 9.440 -7.751 14.519 824 HA ASN 22 HA ASN 22 11.611 -9.384 15.171 825 1HB ASN 22 1HB ASN 22 9.936 -8.114 16.619 826 2HB ASN 22 2HB ASN 22 8.906 -9.548 16.550 827 1HD2 ASN 22 1HD2 ASN 22 11.353 -11.453 16.715 828 2HD2 ASN 22 2HD2 ASN 22 11.849 -11.244 18.388 829 H CYS 23 H CYS 23 8.450 -10.381 13.909 830 HA CYS 23 HA CYS 23 8.461 -13.132 14.111 831 1HB CYS 23 1HB CYS 23 6.713 -11.783 13.073 832 2HB CYS 23 2HB CYS 23 7.784 -11.436 11.707 833 H LYS 24 H LYS 24 10.765 -11.242 12.152 834 HA LYS 24 HA LYS 24 11.978 -13.577 10.877 835 1HB LYS 24 1HB LYS 24 12.188 -11.184 10.094 836 2HB LYS 24 2HB LYS 24 13.181 -10.864 11.505 837 1HG LYS 24 1HG LYS 24 14.623 -12.933 10.560 838 2HG LYS 24 2HG LYS 24 13.686 -12.651 9.098 839 1HD LYS 24 1HD LYS 24 15.475 -11.281 8.633 840 2HD LYS 24 2HD LYS 24 14.495 -10.101 9.514 841 1HE LYS 24 1HE LYS 24 16.782 -11.820 10.620 842 2HE LYS 24 2HE LYS 24 16.843 -10.083 10.290 843 1HZ LYS 24 1HZ LYS 24 15.149 -11.400 12.303 844 2HZ LYS 24 2HZ LYS 24 16.511 -10.522 12.600 845 3HZ LYS 24 3HZ LYS 24 15.170 -9.782 11.988 846 H VAL 25 H VAL 25 11.665 -14.729 13.101 847 HA VAL 25 HA VAL 25 13.527 -14.176 15.220 848 HB VAL 25 HB VAL 25 12.883 -16.374 16.097 849 1HG1 VAL 25 1HG1 VAL 25 10.496 -14.769 15.089 850 2HG1 VAL 25 2HG1 VAL 25 10.531 -15.870 16.477 851 3HG1 VAL 25 3HG1 VAL 25 11.482 -14.375 16.512 852 1HG2 VAL 25 1HG2 VAL 25 11.213 -16.704 13.560 853 2HG2 VAL 25 2HG2 VAL 25 12.652 -17.655 13.985 854 3HG2 VAL 25 3HG2 VAL 25 11.196 -17.755 14.983 Start of MODEL 6 1 1H GLU 1 1H GLU 1 3.758 15.465 11.113 2 2H GLU 1 2H GLU 1 3.045 16.177 9.814 3 3H GLU 1 3H GLU 1 2.879 14.549 10.061 4 HA GLU 1 HA GLU 1 1.740 14.981 12.153 5 1HB GLU 1 1HB GLU 1 1.771 17.849 11.127 6 2HB GLU 1 2HB GLU 1 0.855 17.255 12.522 7 1HG GLU 1 1HG GLU 1 2.994 16.570 13.624 8 2HG GLU 1 2HG GLU 1 3.901 17.258 12.267 9 H ASN 2 H ASN 2 1.357 15.492 8.774 10 HA ASN 2 HA ASN 2 -1.517 15.914 8.821 11 1HB ASN 2 1HB ASN 2 0.140 16.792 7.112 12 2HB ASN 2 2HB ASN 2 0.161 15.173 6.403 13 1HD2 ASN 2 1HD2 ASN 2 -2.031 14.305 5.799 14 2HD2 ASN 2 2HD2 ASN 2 -3.299 15.450 5.301 15 H ARG 3 H ARG 3 -1.723 14.046 10.295 16 HA ARG 3 HA ARG 3 -2.753 12.129 10.795 17 1HB ARG 3 1HB ARG 3 -4.319 12.503 9.038 18 2HB ARG 3 2HB ARG 3 -3.249 11.810 7.812 19 1HG ARG 3 1HG ARG 3 -3.415 9.625 8.676 20 2HG ARG 3 2HG ARG 3 -4.073 10.171 10.228 21 1HD ARG 3 1HD ARG 3 -5.754 9.086 8.852 22 2HD ARG 3 2HD ARG 3 -6.182 10.749 9.224 23 HE ARG 3 HE ARG 3 -5.228 9.668 6.596 24 1HH1 ARG 3 1HH1 ARG 3 -6.623 12.510 8.292 25 2HH1 ARG 3 2HH1 ARG 3 -7.588 12.911 6.876 26 1HH2 ARG 3 1HH2 ARG 3 -6.418 10.392 4.823 27 2HH2 ARG 3 2HH2 ARG 3 -7.488 11.788 5.019 28 H GLU 4 H GLU 4 -0.380 11.655 8.204 29 HA GLU 4 HA GLU 4 1.304 10.186 7.904 30 1HB GLU 4 1HB GLU 4 0.925 9.600 10.863 31 2HB GLU 4 2HB GLU 4 2.085 8.750 9.851 32 1HG GLU 4 1HG GLU 4 3.112 10.653 11.043 33 2HG GLU 4 2HG GLU 4 3.255 10.778 9.289 34 H VAL 5 H VAL 5 -1.189 8.429 9.815 35 HA VAL 5 HA VAL 5 -0.747 6.051 8.117 36 HB VAL 5 HB VAL 5 -2.400 6.367 10.616 37 1HG1 VAL 5 1HG1 VAL 5 -2.106 3.882 10.721 38 2HG1 VAL 5 2HG1 VAL 5 -2.983 4.366 9.263 39 3HG1 VAL 5 3HG1 VAL 5 -1.261 3.929 9.163 40 1HG2 VAL 5 1HG2 VAL 5 -0.163 6.914 11.239 41 2HG2 VAL 5 2HG2 VAL 5 -0.395 5.218 11.677 42 3HG2 VAL 5 3HG2 VAL 5 0.515 5.638 10.209 43 HA PRO 6 HA PRO 6 -4.497 7.540 6.029 44 1HB PRO 6 1HB PRO 6 -4.387 6.117 3.713 45 2HB PRO 6 2HB PRO 6 -3.280 7.465 4.088 46 1HG PRO 6 1HG PRO 6 -2.751 4.506 4.474 47 2HG PRO 6 2HG PRO 6 -1.717 5.701 3.635 48 1HD PRO 6 1HD PRO 6 -1.327 4.981 6.236 49 2HD PRO 6 2HD PRO 6 -1.030 6.651 5.672 50 HA PRO 7 HA PRO 7 -7.504 4.390 7.347 51 1HB PRO 7 1HB PRO 7 -8.984 5.525 4.954 52 2HB PRO 7 2HB PRO 7 -9.640 5.072 6.556 53 1HG PRO 7 1HG PRO 7 -9.097 7.664 6.017 54 2HG PRO 7 2HG PRO 7 -8.573 6.966 7.585 55 1HD PRO 7 1HD PRO 7 -6.919 7.450 5.106 56 2HD PRO 7 2HD PRO 7 -6.528 7.773 6.825 57 H GLY 8 H GLY 8 -6.661 4.752 3.891 58 1HA GLY 8 1HA GLY 8 -7.389 2.299 2.799 59 2HA GLY 8 2HA GLY 8 -5.926 3.196 2.371 60 H PHE 9 H PHE 9 -4.567 2.980 4.917 61 HA PHE 9 HA PHE 9 -3.417 0.301 4.669 62 1HB PHE 9 1HB PHE 9 -1.910 2.044 5.230 63 2HB PHE 9 2HB PHE 9 -2.947 2.659 6.511 64 HD1 PHE 9 1HD PHE 9 -2.719 1.944 8.736 65 HD2 PHE 9 2HD PHE 9 -1.088 -0.449 5.552 66 HE1 PHE 9 1HE PHE 9 -1.699 0.420 10.402 67 HE2 PHE 9 2HE PHE 9 -0.108 -1.999 7.221 68 HZ PHE 9 HZ PHE 9 -0.484 -1.597 9.660 69 H THR 10 H THR 10 -5.455 1.981 7.132 70 HA THR 10 HA THR 10 -5.731 -0.155 8.923 71 HB THR 10 HB THR 10 -7.947 1.804 8.208 72 HG1 THR 10 1HG THR 10 -5.704 2.194 9.897 73 1HG2 THR 10 1HG2 THR 10 -7.091 0.535 10.852 74 2HG2 THR 10 2HG2 THR 10 -8.426 1.676 10.613 75 3HG2 THR 10 3HG2 THR 10 -8.510 0.056 9.897 76 H ALA 11 H ALA 11 -7.719 0.641 6.084 77 HA ALA 11 HA ALA 11 -9.455 -1.610 6.127 78 1HB ALA 11 1HB ALA 11 -9.974 -0.972 3.846 79 2HB ALA 11 2HB ALA 11 -9.843 0.479 4.855 80 3HB ALA 11 3HB ALA 11 -8.520 0.047 3.751 81 H LEU 12 H LEU 12 -6.344 -1.119 4.328 82 HA LEU 12 HA LEU 12 -6.132 -3.616 3.102 83 1HB LEU 12 1HB LEU 12 -4.608 -1.659 2.873 84 2HB LEU 12 2HB LEU 12 -3.832 -2.085 4.392 85 HG LEU 12 HG LEU 12 -3.981 -4.011 2.034 86 1HD1 LEU 12 1HD1 LEU 12 -1.870 -1.918 2.693 87 2HD1 LEU 12 2HD1 LEU 12 -1.696 -3.186 1.464 88 3HD1 LEU 12 3HD1 LEU 12 -2.935 -1.936 1.269 89 1HD2 LEU 12 1HD2 LEU 12 -1.867 -4.895 3.091 90 2HD2 LEU 12 2HD2 LEU 12 -2.140 -3.814 4.471 91 3HD2 LEU 12 3HD2 LEU 12 -3.279 -5.129 4.110 92 H ILE 13 H ILE 13 -4.929 -2.787 6.415 93 HA ILE 13 HA ILE 13 -4.223 -5.458 7.114 94 HB ILE 13 HB ILE 13 -5.068 -3.090 8.787 95 1HG1 ILE 13 1HG1 ILE 13 -2.973 -2.809 7.520 96 2HG1 ILE 13 2HG1 ILE 13 -2.768 -2.783 9.266 97 1HG2 ILE 13 1HG2 ILE 13 -4.008 -4.321 10.720 98 2HG2 ILE 13 2HG2 ILE 13 -5.543 -4.990 10.189 99 3HG2 ILE 13 3HG2 ILE 13 -4.032 -5.794 9.729 100 1HD1 ILE 13 1HD1 ILE 13 -2.062 -5.108 7.412 101 2HD1 ILE 13 2HD1 ILE 13 -0.944 -4.019 8.232 102 3HD1 ILE 13 3HD1 ILE 13 -1.911 -5.144 9.185 103 H LYS 14 H LYS 14 -7.357 -3.770 7.785 104 HA LYS 14 HA LYS 14 -8.564 -5.967 9.120 105 1HB LYS 14 1HB LYS 14 -9.735 -3.716 7.455 106 2HB LYS 14 2HB LYS 14 -10.727 -4.893 8.337 107 1HG LYS 14 1HG LYS 14 -9.809 -4.230 10.467 108 2HG LYS 14 2HG LYS 14 -8.558 -3.251 9.703 109 1HD LYS 14 1HD LYS 14 -10.279 -1.792 10.565 110 2HD LYS 14 2HD LYS 14 -10.268 -1.706 8.796 111 1HE LYS 14 1HE LYS 14 -12.241 -3.193 8.688 112 2HE LYS 14 2HE LYS 14 -12.194 -3.417 10.447 113 1HZ LYS 14 1HZ LYS 14 -12.615 -1.078 10.686 114 2HZ LYS 14 2HZ LYS 14 -12.649 -0.873 9.052 115 3HZ LYS 14 3HZ LYS 14 -13.802 -1.788 9.791 116 H THR 15 H THR 15 -8.786 -5.129 5.645 117 HA THR 15 HA THR 15 -10.293 -7.431 4.861 118 HB THR 15 HB THR 15 -9.520 -6.929 2.584 119 HG1 THR 15 1HG THR 15 -8.042 -4.845 3.811 120 1HG2 THR 15 1HG2 THR 15 -11.460 -5.716 3.414 121 2HG2 THR 15 2HG2 THR 15 -10.431 -4.489 4.173 122 3HG2 THR 15 3HG2 THR 15 -10.468 -4.646 2.410 123 H LEU 16 H LEU 16 -6.738 -6.882 4.848 124 HA LEU 16 HA LEU 16 -5.914 -9.396 3.902 125 1HB LEU 16 1HB LEU 16 -4.494 -7.431 4.242 126 2HB LEU 16 2HB LEU 16 -4.583 -7.609 5.987 127 HG LEU 16 HG LEU 16 -3.585 -9.920 4.314 128 1HD1 LEU 16 1HD1 LEU 16 -2.380 -7.970 3.418 129 2HD1 LEU 16 2HD1 LEU 16 -1.941 -7.466 5.065 130 3HD1 LEU 16 3HD1 LEU 16 -1.294 -8.976 4.388 131 1HD2 LEU 16 1HD2 LEU 16 -2.070 -10.211 6.303 132 2HD2 LEU 16 2HD2 LEU 16 -2.820 -8.798 7.063 133 3HD2 LEU 16 3HD2 LEU 16 -3.770 -10.268 6.776 134 H ARG 17 H ARG 17 -6.494 -8.425 7.315 135 HA ARG 17 HA ARG 17 -6.028 -10.973 8.426 136 1HB ARG 17 1HB ARG 17 -6.108 -9.057 9.863 137 2HB ARG 17 2HB ARG 17 -7.740 -8.634 9.337 138 1HG ARG 17 1HG ARG 17 -7.803 -9.609 11.578 139 2HG ARG 17 2HG ARG 17 -8.678 -10.612 10.432 140 1HD ARG 17 1HD ARG 17 -6.438 -11.993 10.264 141 2HD ARG 17 2HD ARG 17 -5.982 -11.162 11.742 142 HE ARG 17 HE ARG 17 -8.088 -13.189 11.249 143 1HH1 ARG 17 1HH1 ARG 17 -6.921 -10.896 13.659 144 2HH1 ARG 17 2HH1 ARG 17 -7.642 -11.782 14.987 145 1HH2 ARG 17 1HH2 ARG 17 -8.933 -14.264 12.821 146 2HH2 ARG 17 2HH2 ARG 17 -8.854 -13.753 14.510 147 H LYS 18 H LYS 18 -9.175 -9.519 7.374 148 HA LYS 18 HA LYS 18 -10.760 -11.776 7.927 149 1HB LYS 18 1HB LYS 18 -11.700 -9.610 7.391 150 2HB LYS 18 2HB LYS 18 -11.047 -9.672 5.751 151 1HG LYS 18 1HG LYS 18 -13.460 -10.166 5.844 152 2HG LYS 18 2HG LYS 18 -12.544 -11.495 5.140 153 1HD LYS 18 1HD LYS 18 -12.708 -12.766 7.254 154 2HD LYS 18 2HD LYS 18 -13.489 -11.381 8.049 155 1HE LYS 18 1HE LYS 18 -15.393 -11.551 6.467 156 2HE LYS 18 2HE LYS 18 -14.583 -12.877 5.616 157 1HZ LYS 18 1HZ LYS 18 -16.201 -13.681 7.167 158 2HZ LYS 18 2HZ LYS 18 -14.693 -14.159 7.628 159 3HZ LYS 18 3HZ LYS 18 -15.445 -12.928 8.425 160 H CYS 19 H CYS 19 -9.127 -10.989 4.827 161 HA CYS 19 HA CYS 19 -9.726 -13.271 3.320 162 1HB CYS 19 1HB CYS 19 -8.563 -11.273 2.474 163 2HB CYS 19 2HB CYS 19 -7.156 -11.669 3.458 164 H LYS 20 H LYS 20 -6.959 -12.858 5.607 165 HA LYS 20 HA LYS 20 -6.147 -15.645 5.332 166 1HB LYS 20 1HB LYS 20 -5.316 -13.427 7.236 167 2HB LYS 20 2HB LYS 20 -4.626 -15.057 7.237 168 1HG LYS 20 1HG LYS 20 -4.011 -14.791 4.828 169 2HG LYS 20 2HG LYS 20 -4.570 -13.106 4.900 170 1HD LYS 20 1HD LYS 20 -2.891 -12.586 6.619 171 2HD LYS 20 2HD LYS 20 -2.449 -14.291 6.760 172 1HE LYS 20 1HE LYS 20 -0.766 -13.118 5.431 173 2HE LYS 20 2HE LYS 20 -1.608 -14.321 4.440 174 1HZ LYS 20 1HZ LYS 20 -1.353 -12.248 3.293 175 2HZ LYS 20 2HZ LYS 20 -2.952 -12.545 3.555 176 3HZ LYS 20 3HZ LYS 20 -2.158 -11.436 4.478 177 H ILE 21 H ILE 21 -8.518 -14.118 7.358 178 HA ILE 21 HA ILE 21 -9.955 -14.890 8.889 179 HB ILE 21 HB ILE 21 -8.811 -17.678 8.461 180 1HG1 ILE 21 1HG1 ILE 21 -9.880 -16.675 6.423 181 2HG1 ILE 21 2HG1 ILE 21 -10.638 -18.139 7.037 182 1HG2 ILE 21 1HG2 ILE 21 -9.839 -17.646 10.609 183 2HG2 ILE 21 2HG2 ILE 21 -11.239 -16.740 10.009 184 3HG2 ILE 21 3HG2 ILE 21 -10.963 -18.419 9.489 185 1HD1 ILE 21 1HD1 ILE 21 -12.298 -16.473 6.322 186 2HD1 ILE 21 2HD1 ILE 21 -12.469 -16.845 8.038 187 3HD1 ILE 21 3HD1 ILE 21 -11.706 -15.323 7.528 188 H ILE 22 H ILE 22 -6.792 -16.445 9.408 189 HA ILE 22 HA ILE 22 -6.843 -15.733 12.304 190 HB ILE 22 HB ILE 22 -4.814 -17.304 10.676 191 1HG1 ILE 22 1HG1 ILE 22 -6.891 -18.540 10.613 192 2HG1 ILE 22 2HG1 ILE 22 -5.751 -19.331 11.691 193 1HG2 ILE 22 1HG2 ILE 22 -4.105 -18.153 12.934 194 2HG2 ILE 22 2HG2 ILE 22 -3.768 -16.443 12.665 195 3HG2 ILE 22 3HG2 ILE 22 -5.143 -16.918 13.678 196 1HD1 ILE 22 1HD1 ILE 22 -6.947 -18.376 13.664 197 2HD1 ILE 22 2HD1 ILE 22 -8.118 -17.610 12.563 198 3HD1 ILE 22 3HD1 ILE 22 -7.993 -19.372 12.641 199 1H ASN 1 1H ASN 1 13.608 11.225 0.863 200 2H ASN 1 2H ASN 1 13.034 10.736 -0.601 201 3H ASN 1 3H ASN 1 12.945 9.727 0.697 202 HA ASN 1 HA ASN 1 11.435 11.178 1.811 203 1HB ASN 1 1HB ASN 1 12.293 13.266 0.874 204 2HB ASN 1 2HB ASN 1 11.655 12.846 -0.724 205 1HD2 ASN 1 1HD2 ASN 1 10.823 15.231 0.148 206 2HD2 ASN 1 2HD2 ASN 1 9.178 15.128 0.762 207 H LEU 2 H LEU 2 9.749 9.807 1.844 208 HA LEU 2 HA LEU 2 8.891 8.213 -0.344 209 1HB LEU 2 1HB LEU 2 7.507 8.883 2.275 210 2HB LEU 2 2HB LEU 2 7.042 7.567 1.188 211 HG LEU 2 HG LEU 2 9.785 7.763 2.520 212 1HD1 LEU 2 1HD1 LEU 2 8.973 6.006 4.010 213 2HD1 LEU 2 2HD1 LEU 2 8.030 7.495 4.206 214 3HD1 LEU 2 3HD1 LEU 2 7.344 6.124 3.304 215 1HD2 LEU 2 1HD2 LEU 2 9.908 5.348 1.904 216 2HD2 LEU 2 2HD2 LEU 2 8.384 5.508 1.008 217 3HD2 LEU 2 3HD2 LEU 2 9.839 6.383 0.478 218 H VAL 3 H VAL 3 8.033 11.517 0.299 219 HA VAL 3 HA VAL 3 5.549 11.575 -1.138 220 HB VAL 3 HB VAL 3 7.740 13.656 -0.821 221 1HG1 VAL 3 1HG1 VAL 3 5.955 15.308 -1.402 222 2HG1 VAL 3 2HG1 VAL 3 6.450 14.309 -2.767 223 3HG1 VAL 3 3HG1 VAL 3 4.921 13.964 -1.925 224 1HG2 VAL 3 1HG2 VAL 3 6.209 14.607 0.871 225 2HG2 VAL 3 2HG2 VAL 3 5.040 13.305 0.574 226 3HG2 VAL 3 3HG2 VAL 3 6.611 12.944 1.311 227 H SER 4 H SER 4 8.846 11.058 -2.219 228 HA SER 4 HA SER 4 8.616 11.814 -4.954 229 1HB SER 4 1HB SER 4 10.398 9.660 -3.749 230 2HB SER 4 2HB SER 4 10.638 10.532 -5.272 231 HG SER 4 HG SER 4 10.812 11.478 -2.621 232 H GLY 5 H GLY 5 6.425 10.977 -5.269 233 1HA GLY 5 1HA GLY 5 5.483 9.423 -6.985 234 2HA GLY 5 2HA GLY 5 6.288 8.092 -6.153 235 H LEU 6 H LEU 6 4.867 10.627 -4.190 236 HA LEU 6 HA LEU 6 3.269 9.347 -2.508 237 1HB LEU 6 1HB LEU 6 3.720 11.734 -2.640 238 2HB LEU 6 2HB LEU 6 2.595 11.943 -3.971 239 HG LEU 6 HG LEU 6 1.727 10.914 -1.230 240 1HD1 LEU 6 1HD1 LEU 6 1.144 13.322 -0.765 241 2HD1 LEU 6 2HD1 LEU 6 2.882 13.026 -0.874 242 3HD1 LEU 6 3HD1 LEU 6 2.020 13.779 -2.234 243 1HD2 LEU 6 1HD2 LEU 6 -0.019 10.668 -2.967 244 2HD2 LEU 6 2HD2 LEU 6 -0.444 11.999 -1.900 245 3HD2 LEU 6 3HD2 LEU 6 0.243 12.342 -3.498 246 H ILE 7 H ILE 7 1.843 10.555 -5.581 247 HA ILE 7 HA ILE 7 -0.634 9.257 -5.264 248 HB ILE 7 HB ILE 7 -1.087 9.701 -7.540 249 1HG1 ILE 7 1HG1 ILE 7 0.901 9.036 -8.722 250 2HG1 ILE 7 2HG1 ILE 7 0.415 10.667 -9.142 251 1HG2 ILE 7 1HG2 ILE 7 -1.220 11.537 -5.959 252 2HG2 ILE 7 2HG2 ILE 7 0.449 12.018 -6.303 253 3HG2 ILE 7 3HG2 ILE 7 -0.783 12.116 -7.573 254 1HD1 ILE 7 1HD1 ILE 7 2.783 9.912 -7.380 255 2HD1 ILE 7 2HD1 ILE 7 2.808 10.576 -9.013 256 3HD1 ILE 7 3HD1 ILE 7 2.234 11.580 -7.675 257 H GLU 8 H GLU 8 2.360 7.961 -6.708 258 HA GLU 8 HA GLU 8 1.113 5.568 -7.779 259 1HB GLU 8 1HB GLU 8 4.033 6.090 -7.071 260 2HB GLU 8 2HB GLU 8 3.401 4.772 -8.054 261 1HG GLU 8 1HG GLU 8 3.322 7.746 -8.756 262 2HG GLU 8 2HG GLU 8 4.349 6.513 -9.482 263 H ALA 9 H ALA 9 2.897 6.374 -4.785 264 HA ALA 9 HA ALA 9 2.750 3.827 -3.537 265 1HB ALA 9 1HB ALA 9 4.157 5.682 -2.737 266 2HB ALA 9 2HB ALA 9 2.710 6.583 -2.242 267 3HB ALA 9 3HB ALA 9 3.113 5.049 -1.449 268 H ARG 10 H ARG 10 0.408 6.568 -3.410 269 HA ARG 10 HA ARG 10 -1.451 5.118 -1.748 270 1HB ARG 10 1HB ARG 10 -1.797 7.618 -3.424 271 2HB ARG 10 2HB ARG 10 -3.037 6.950 -2.337 272 1HG ARG 10 1HG ARG 10 -1.406 7.009 -0.445 273 2HG ARG 10 2HG ARG 10 -0.212 7.752 -1.509 274 1HD ARG 10 1HD ARG 10 -1.821 9.667 -1.856 275 2HD ARG 10 2HD ARG 10 -2.850 8.974 -0.601 276 HE ARG 10 HE ARG 10 -0.206 10.248 -0.291 277 1HH1 ARG 10 1HH1 ARG 10 -2.715 8.394 1.445 278 2HH1 ARG 10 2HH1 ARG 10 -1.706 8.320 2.889 279 1HH2 ARG 10 1HH2 ARG 10 0.959 10.103 1.657 280 2HH2 ARG 10 2HH2 ARG 10 0.210 9.282 3.030 281 H LYS 11 H LYS 11 -1.339 5.509 -5.337 282 HA LYS 11 HA LYS 11 -3.683 3.944 -5.857 283 1HB LYS 11 1HB LYS 11 -1.142 4.421 -7.438 284 2HB LYS 11 2HB LYS 11 -2.483 3.432 -8.045 285 1HG LYS 11 1HG LYS 11 -4.054 5.326 -7.728 286 2HG LYS 11 2HG LYS 11 -2.718 6.363 -7.231 287 1HD LYS 11 1HD LYS 11 -2.999 4.980 -9.950 288 2HD LYS 11 2HD LYS 11 -3.360 6.679 -9.609 289 1HE LYS 11 1HE LYS 11 -0.955 6.989 -8.888 290 2HE LYS 11 2HE LYS 11 -0.625 5.335 -9.446 291 1HZ LYS 11 1HZ LYS 11 -1.649 7.515 -11.118 292 2HZ LYS 11 2HZ LYS 11 -0.097 6.956 -11.089 293 3HZ LYS 11 3HZ LYS 11 -1.316 5.980 -11.621 294 H TYR 12 H TYR 12 -0.248 2.907 -5.532 295 HA TYR 12 HA TYR 12 -0.621 0.118 -5.718 296 1HB TYR 12 1HB TYR 12 1.584 0.965 -5.699 297 2HB TYR 12 2HB TYR 12 1.337 1.855 -4.207 298 HD1 TYR 12 1HD TYR 12 1.814 0.903 -2.083 299 HD2 TYR 12 2HD TYR 12 1.560 -1.631 -5.563 300 HE1 TYR 12 1HE TYR 12 2.547 -1.038 -0.727 301 HE2 TYR 12 2HE TYR 12 2.320 -3.566 -4.193 302 HH TYR 12 HH TYR 12 2.992 -3.261 -0.706 303 H LEU 13 H LEU 13 -0.623 2.089 -2.695 304 HA LEU 13 HA LEU 13 -1.359 0.132 -0.867 305 1HB LEU 13 1HB LEU 13 -0.734 2.449 -0.280 306 2HB LEU 13 2HB LEU 13 -2.218 3.042 -1.022 307 HG LEU 13 HG LEU 13 -3.532 1.690 0.707 308 1HD1 LEU 13 1HD1 LEU 13 -1.645 0.191 1.406 309 2HD1 LEU 13 2HD1 LEU 13 -0.799 1.611 2.060 310 3HD1 LEU 13 3HD1 LEU 13 -2.341 1.089 2.761 311 1HD2 LEU 13 1HD2 LEU 13 -3.217 3.394 2.433 312 2HD2 LEU 13 2HD2 LEU 13 -1.696 3.915 1.672 313 3HD2 LEU 13 3HD2 LEU 13 -3.242 4.131 0.822 314 H GLU 14 H GLU 14 -3.637 2.261 -2.677 315 HA GLU 14 HA GLU 14 -5.986 1.003 -1.762 316 1HB GLU 14 1HB GLU 14 -6.159 3.160 -2.696 317 2HB GLU 14 2HB GLU 14 -5.344 2.684 -4.188 318 1HG GLU 14 1HG GLU 14 -7.775 3.038 -4.502 319 2HG GLU 14 2HG GLU 14 -7.241 1.429 -4.968 320 H GLN 15 H GLN 15 -4.064 0.263 -4.725 321 HA GLN 15 HA GLN 15 -5.837 -1.742 -5.685 322 1HB GLN 15 1HB GLN 15 -4.136 -0.724 -7.083 323 2HB GLN 15 2HB GLN 15 -2.846 -1.363 -6.060 324 1HG GLN 15 1HG GLN 15 -3.058 -2.658 -8.114 325 2HG GLN 15 2HG GLN 15 -3.410 -3.674 -6.721 326 1HE2 GLN 15 1HE2 GLN 15 -5.785 -4.108 -6.256 327 2HE2 GLN 15 2HE2 GLN 15 -6.834 -4.177 -7.677 328 H LEU 16 H LEU 16 -2.999 -1.979 -3.522 329 HA LEU 16 HA LEU 16 -3.004 -4.798 -3.196 330 1HB LEU 16 1HB LEU 16 -1.295 -2.876 -2.525 331 2HB LEU 16 2HB LEU 16 -2.162 -2.881 -1.001 332 HG LEU 16 HG LEU 16 -0.205 -4.202 -0.792 333 1HD1 LEU 16 1HD1 LEU 16 -2.279 -5.210 0.221 334 2HD1 LEU 16 2HD1 LEU 16 -2.394 -6.255 -1.222 335 3HD1 LEU 16 3HD1 LEU 16 -0.996 -6.381 -0.143 336 1HD2 LEU 16 1HD2 LEU 16 0.446 -6.031 -2.235 337 2HD2 LEU 16 2HD2 LEU 16 -1.018 -5.862 -3.218 338 3HD2 LEU 16 3HD2 LEU 16 0.207 -4.579 -3.218 339 H HIS 17 H HIS 17 -4.420 -2.245 -1.101 340 HA HIS 17 HA HIS 17 -6.009 -3.765 0.653 341 1HB HIS 17 1HB HIS 17 -5.899 -1.435 1.002 342 2HB HIS 17 2HB HIS 17 -6.275 -1.070 -0.673 343 HD1 HIS 17 1HD HIS 17 -8.531 0.067 -0.844 344 HD2 HIS 17 2HD HIS 17 -8.382 -3.070 1.969 345 HE1 HIS 17 1HE HIS 17 -10.897 -0.222 0.064 346 H ARG 18 H ARG 18 -6.984 -2.558 -2.588 347 HA ARG 18 HA ARG 18 -9.528 -3.686 -2.659 348 1HB ARG 18 1HB ARG 18 -8.612 -1.976 -4.172 349 2HB ARG 18 2HB ARG 18 -7.668 -3.213 -5.012 350 1HG ARG 18 1HG ARG 18 -9.782 -4.383 -5.639 351 2HG ARG 18 2HG ARG 18 -10.711 -3.130 -4.796 352 1HD ARG 18 1HD ARG 18 -8.828 -2.676 -7.151 353 2HD ARG 18 2HD ARG 18 -10.602 -2.719 -7.236 354 HE ARG 18 HE ARG 18 -9.945 -0.796 -5.293 355 1HH1 ARG 18 1HH1 ARG 18 -9.462 -1.183 -8.758 356 2HH1 ARG 18 2HH1 ARG 18 -9.375 0.537 -9.060 357 1HH2 ARG 18 1HH2 ARG 18 -9.804 1.354 -5.655 358 2HH2 ARG 18 2HH2 ARG 18 -9.610 2.013 -7.274 359 H LYS 19 H LYS 19 -6.431 -5.247 -3.679 360 HA LYS 19 HA LYS 19 -7.630 -7.699 -4.579 361 1HB LYS 19 1HB LYS 19 -4.888 -7.077 -3.429 362 2HB LYS 19 2HB LYS 19 -5.363 -8.685 -3.994 363 1HG LYS 19 1HG LYS 19 -5.818 -7.861 -6.231 364 2HG LYS 19 2HG LYS 19 -5.523 -6.190 -5.727 365 1HD LYS 19 1HD LYS 19 -3.175 -6.720 -5.197 366 2HD LYS 19 2HD LYS 19 -3.441 -8.422 -5.630 367 1HE LYS 19 1HE LYS 19 -3.997 -7.763 -7.953 368 2HE LYS 19 2HE LYS 19 -3.792 -6.055 -7.537 369 1HZ LYS 19 1HZ LYS 19 -1.847 -6.953 -8.576 370 2HZ LYS 19 2HZ LYS 19 -1.502 -6.520 -7.024 371 3HZ LYS 19 3HZ LYS 19 -1.695 -8.109 -7.412 372 H LEU 20 H LEU 20 -6.300 -6.891 -1.303 373 HA LEU 20 HA LEU 20 -7.219 -9.400 -0.179 374 1HB LEU 20 1HB LEU 20 -6.389 -6.778 1.116 375 2HB LEU 20 2HB LEU 20 -6.959 -8.170 2.026 376 HG LEU 20 HG LEU 20 -4.628 -8.206 2.134 377 1HD1 LEU 20 1HD1 LEU 20 -5.775 -10.424 1.768 378 2HD1 LEU 20 2HD1 LEU 20 -5.234 -10.353 0.076 379 3HD1 LEU 20 3HD1 LEU 20 -4.045 -10.379 1.383 380 1HD2 LEU 20 1HD2 LEU 20 -3.093 -8.272 0.286 381 2HD2 LEU 20 2HD2 LEU 20 -4.417 -8.168 -0.889 382 3HD2 LEU 20 3HD2 LEU 20 -4.105 -6.816 0.233 383 H LYS 21 H LYS 21 -8.875 -6.309 -0.614 384 HA LYS 21 HA LYS 21 -11.207 -7.014 0.898 385 1HB LYS 21 1HB LYS 21 -10.587 -4.735 0.020 386 2HB LYS 21 2HB LYS 21 -11.061 -5.270 -1.594 387 1HG LYS 21 1HG LYS 21 -13.362 -5.733 -0.759 388 2HG LYS 21 2HG LYS 21 -12.862 -5.203 0.865 389 1HD LYS 21 1HD LYS 21 -12.294 -2.962 -0.026 390 2HD LYS 21 2HD LYS 21 -12.797 -3.476 -1.651 391 1HE LYS 21 1HE LYS 21 -15.097 -3.918 -0.795 392 2HE LYS 21 2HE LYS 21 -14.592 -3.404 0.826 393 1HZ LYS 21 1HZ LYS 21 -14.104 -1.247 -0.077 394 2HZ LYS 21 2HZ LYS 21 -14.575 -1.721 -1.583 395 3HZ LYS 21 3HZ LYS 21 -15.677 -1.647 -0.360 396 H ASN 22 H ASN 22 -10.603 -7.221 -2.638 397 HA ASN 22 HA ASN 22 -12.875 -8.632 -3.397 398 1HB ASN 22 1HB ASN 22 -11.034 -7.528 -4.804 399 2HB ASN 22 2HB ASN 22 -10.142 -9.047 -4.668 400 1HD2 ASN 22 1HD2 ASN 22 -12.722 -10.748 -4.911 401 2HD2 ASN 22 2HD2 ASN 22 -13.140 -10.511 -6.601 402 H CYS 23 H CYS 23 -9.825 -9.979 -2.077 403 HA CYS 23 HA CYS 23 -10.232 -12.711 -2.377 404 1HB CYS 23 1HB CYS 23 -8.249 -11.821 -1.302 405 2HB CYS 23 2HB CYS 23 -9.222 -11.196 0.032 406 H LYS 24 H LYS 24 -11.799 -10.677 0.196 407 HA LYS 24 HA LYS 24 -13.832 -12.747 0.598 408 1HB LYS 24 1HB LYS 24 -11.523 -13.462 1.678 409 2HB LYS 24 2HB LYS 24 -11.992 -12.369 2.967 410 1HG LYS 24 1HG LYS 24 -14.061 -13.675 3.317 411 2HG LYS 24 2HG LYS 24 -13.699 -14.691 1.915 412 1HD LYS 24 1HD LYS 24 -11.805 -14.474 4.293 413 2HD LYS 24 2HD LYS 24 -13.133 -15.642 4.237 414 1HE LYS 24 1HE LYS 24 -12.237 -16.697 2.236 415 2HE LYS 24 2HE LYS 24 -10.937 -15.502 2.111 416 1HZ LYS 24 1HZ LYS 24 -11.271 -17.302 4.392 417 2HZ LYS 24 2HZ LYS 24 -10.234 -17.541 3.131 418 3HZ LYS 24 3HZ LYS 24 -10.030 -16.243 4.119 419 H VAL 25 H VAL 25 -13.651 -9.725 0.297 420 HA VAL 25 HA VAL 25 -15.728 -9.152 2.361 421 HB VAL 25 HB VAL 25 -13.385 -7.347 1.642 422 1HG1 VAL 25 1HG1 VAL 25 -14.377 -5.784 3.310 423 2HG1 VAL 25 2HG1 VAL 25 -15.433 -5.997 1.913 424 3HG1 VAL 25 3HG1 VAL 25 -15.800 -6.837 3.437 425 1HG2 VAL 25 1HG2 VAL 25 -14.184 -8.698 4.244 426 2HG2 VAL 25 2HG2 VAL 25 -12.717 -9.030 3.291 427 3HG2 VAL 25 3HG2 VAL 25 -12.911 -7.475 4.102 428 1H GLU 1 1H GLU 1 -5.340 13.353 0.501 429 2H GLU 1 2H GLU 1 -5.646 14.134 1.919 430 3H GLU 1 3H GLU 1 -6.893 13.576 1.000 431 HA GLU 1 HA GLU 1 -6.582 12.165 2.863 432 1HB GLU 1 1HB GLU 1 -7.327 11.341 0.592 433 2HB GLU 1 2HB GLU 1 -5.686 10.762 0.314 434 1HG GLU 1 1HG GLU 1 -7.598 9.880 2.536 435 2HG GLU 1 2HG GLU 1 -7.195 8.967 1.082 436 H ASN 2 H ASN 2 -4.911 12.640 4.319 437 HA ASN 2 HA ASN 2 -3.018 12.394 5.461 438 1HB ASN 2 1HB ASN 2 -3.351 10.143 5.603 439 2HB ASN 2 2HB ASN 2 -3.084 9.865 3.888 440 1HD2 ASN 2 1HD2 ASN 2 -0.802 11.619 6.161 441 2HD2 ASN 2 2HD2 ASN 2 0.443 10.382 5.843 442 H ARG 3 H ARG 3 -1.966 11.701 2.079 443 HA ARG 3 HA ARG 3 -0.365 12.581 0.806 444 1HB ARG 3 1HB ARG 3 -0.160 14.879 2.802 445 2HB ARG 3 2HB ARG 3 0.507 14.826 1.172 446 1HG ARG 3 1HG ARG 3 -1.770 14.521 0.232 447 2HG ARG 3 2HG ARG 3 -2.469 14.639 1.855 448 1HD ARG 3 1HD ARG 3 -0.773 16.808 0.554 449 2HD ARG 3 2HD ARG 3 -2.549 16.767 0.538 450 HE ARG 3 HE ARG 3 -1.750 16.533 3.235 451 1HH1 ARG 3 1HH1 ARG 3 -1.567 18.924 0.661 452 2HH1 ARG 3 2HH1 ARG 3 -1.653 20.292 1.745 453 1HH2 ARG 3 1HH2 ARG 3 -1.915 18.321 4.647 454 2HH2 ARG 3 2HH2 ARG 3 -1.831 19.942 4.001 455 H GLU 4 H GLU 4 0.790 13.058 4.169 456 HA GLU 4 HA GLU 4 3.529 12.380 3.605 457 1HB GLU 4 1HB GLU 4 2.493 13.708 5.561 458 2HB GLU 4 2HB GLU 4 2.144 12.151 6.305 459 1HG GLU 4 1HG GLU 4 4.860 13.311 5.528 460 2HG GLU 4 2HG GLU 4 4.243 13.048 7.162 461 H VAL 5 H VAL 5 3.543 10.432 2.418 462 HA VAL 5 HA VAL 5 2.381 7.958 3.161 463 HB VAL 5 HB VAL 5 4.912 8.534 1.593 464 1HG1 VAL 5 1HG1 VAL 5 4.556 6.270 0.618 465 2HG1 VAL 5 2HG1 VAL 5 4.909 6.171 2.344 466 3HG1 VAL 5 3HG1 VAL 5 3.237 5.984 1.771 467 1HG2 VAL 5 1HG2 VAL 5 2.061 7.977 0.667 468 2HG2 VAL 5 2HG2 VAL 5 2.909 9.537 0.559 469 3HG2 VAL 5 3HG2 VAL 5 3.482 8.158 -0.377 470 HA PRO 6 HA PRO 6 4.933 7.772 6.781 471 1HB PRO 6 1HB PRO 6 3.746 5.811 8.239 472 2HB PRO 6 2HB PRO 6 2.927 7.348 7.833 473 1HG PRO 6 1HG PRO 6 2.704 4.712 6.359 474 2HG PRO 6 2HG PRO 6 1.369 5.716 6.963 475 1HD PRO 6 1HD PRO 6 2.268 5.861 4.378 476 2HD PRO 6 2HD PRO 6 1.690 7.314 5.233 477 HA PRO 7 HA PRO 7 7.984 4.635 5.577 478 1HB PRO 7 1HB PRO 7 9.769 4.872 7.660 479 2HB PRO 7 2HB PRO 7 9.630 6.069 6.345 480 1HG PRO 7 1HG PRO 7 8.341 6.192 9.080 481 2HG PRO 7 2HG PRO 7 9.271 7.471 8.247 482 1HD PRO 7 1HD PRO 7 6.577 7.444 8.208 483 2HD PRO 7 2HD PRO 7 7.478 7.901 6.731 484 H GLY 8 H GLY 8 6.452 4.702 8.765 485 1HA GLY 8 1HA GLY 8 6.870 2.100 9.699 486 2HA GLY 8 2HA GLY 8 5.379 3.023 9.902 487 H PHE 9 H PHE 9 4.693 3.164 7.015 488 HA PHE 9 HA PHE 9 3.363 0.585 6.781 489 1HB PHE 9 1HB PHE 9 2.254 2.519 5.915 490 2HB PHE 9 2HB PHE 9 3.630 2.940 4.889 491 HD1 PHE 9 1HD PHE 9 3.397 2.453 2.608 492 HD2 PHE 9 2HD PHE 9 1.424 -0.056 5.505 493 HE1 PHE 9 1HE PHE 9 2.376 1.137 0.774 494 HE2 PHE 9 2HE PHE 9 0.414 -1.382 3.665 495 HZ PHE 9 HZ PHE 9 0.884 -0.787 1.299 496 H THR 10 H THR 10 6.038 2.176 4.929 497 HA THR 10 HA THR 10 6.728 0.044 3.276 498 HB THR 10 HB THR 10 8.714 1.937 4.606 499 HG1 THR 10 1HG THR 10 8.106 3.313 2.829 500 1HG2 THR 10 1HG2 THR 10 9.670 0.193 3.093 501 2HG2 THR 10 2HG2 THR 10 8.566 0.725 1.807 502 3HG2 THR 10 3HG2 THR 10 9.828 1.819 2.407 503 H ALA 11 H ALA 11 7.957 0.756 6.574 504 HA ALA 11 HA ALA 11 9.644 -1.506 6.872 505 1HB ALA 11 1HB ALA 11 9.513 -1.026 9.259 506 2HB ALA 11 2HB ALA 11 9.661 0.485 8.340 507 3HB ALA 11 3HB ALA 11 8.087 0.004 9.011 508 H LEU 12 H LEU 12 6.174 -1.112 7.819 509 HA LEU 12 HA LEU 12 5.777 -3.732 8.789 510 1HB LEU 12 1HB LEU 12 4.264 -1.857 9.086 511 2HB LEU 12 2HB LEU 12 3.767 -1.923 7.396 512 HG LEU 12 HG LEU 12 3.515 -4.377 9.197 513 1HD1 LEU 12 1HD1 LEU 12 2.483 -2.567 10.438 514 2HD1 LEU 12 2HD1 LEU 12 1.665 -1.996 8.974 515 3HD1 LEU 12 3HD1 LEU 12 1.195 -3.549 9.712 516 1HD2 LEU 12 1HD2 LEU 12 1.502 -4.782 7.737 517 2HD2 LEU 12 2HD2 LEU 12 1.947 -3.364 6.766 518 3HD2 LEU 12 3HD2 LEU 12 2.992 -4.796 6.809 519 H ILE 13 H ILE 13 5.209 -2.506 5.427 520 HA ILE 13 HA ILE 13 4.496 -5.005 4.294 521 HB ILE 13 HB ILE 13 5.822 -2.540 3.129 522 1HG1 ILE 13 1HG1 ILE 13 3.459 -2.329 3.944 523 2HG1 ILE 13 2HG1 ILE 13 3.696 -1.986 2.234 524 1HG2 ILE 13 1HG2 ILE 13 5.156 -3.453 0.874 525 2HG2 ILE 13 2HG2 ILE 13 6.524 -4.266 1.634 526 3HG2 ILE 13 3HG2 ILE 13 4.927 -5.037 1.649 527 1HD1 ILE 13 1HD1 ILE 13 2.539 -4.579 3.362 528 2HD1 ILE 13 2HD1 ILE 13 1.640 -3.263 2.605 529 3HD1 ILE 13 3HD1 ILE 13 2.769 -4.210 1.637 530 H LYS 14 H LYS 14 7.795 -3.548 4.521 531 HA LYS 14 HA LYS 14 9.114 -5.734 3.311 532 1HB LYS 14 1HB LYS 14 10.179 -3.586 3.635 533 2HB LYS 14 2HB LYS 14 10.078 -3.737 5.392 534 1HG LYS 14 1HG LYS 14 12.343 -4.185 4.541 535 2HG LYS 14 2HG LYS 14 11.685 -5.583 5.393 536 1HD LYS 14 1HD LYS 14 11.162 -6.690 3.237 537 2HD LYS 14 2HD LYS 14 11.688 -5.243 2.351 538 1HE LYS 14 1HE LYS 14 13.984 -5.544 3.245 539 2HE LYS 14 2HE LYS 14 13.442 -6.947 4.188 540 1HZ LYS 14 1HZ LYS 14 14.476 -7.599 2.145 541 2HZ LYS 14 2HZ LYS 14 12.889 -8.038 2.140 542 3HZ LYS 14 3HZ LYS 14 13.386 -6.738 1.258 543 H THR 15 H THR 15 8.605 -5.137 6.829 544 HA THR 15 HA THR 15 9.804 -7.600 7.676 545 HB THR 15 HB THR 15 8.627 -7.217 9.817 546 HG1 THR 15 1HG THR 15 7.690 -4.857 8.560 547 1HG2 THR 15 1HG2 THR 15 10.088 -4.809 8.646 548 2HG2 THR 15 2HG2 THR 15 9.770 -5.086 10.366 549 3HG2 THR 15 3HG2 THR 15 10.814 -6.203 9.465 550 H LEU 16 H LEU 16 6.414 -6.843 6.844 551 HA LEU 16 HA LEU 16 5.306 -9.392 7.454 552 1HB LEU 16 1HB LEU 16 4.064 -7.313 6.962 553 2HB LEU 16 2HB LEU 16 4.480 -7.435 5.259 554 HG LEU 16 HG LEU 16 3.071 -9.733 6.670 555 1HD1 LEU 16 1HD1 LEU 16 1.744 -7.228 5.551 556 2HD1 LEU 16 2HD1 LEU 16 0.900 -8.699 6.082 557 3HD1 LEU 16 3HD1 LEU 16 1.789 -7.720 7.258 558 1HD2 LEU 16 1HD2 LEU 16 2.956 -8.650 3.809 559 2HD2 LEU 16 2HD2 LEU 16 3.791 -10.131 4.314 560 3HD2 LEU 16 3HD2 LEU 16 2.035 -10.035 4.423 561 H ARG 17 H ARG 17 6.616 -8.130 4.341 562 HA ARG 17 HA ARG 17 6.466 -10.533 2.871 563 1HB ARG 17 1HB ARG 17 6.872 -8.396 1.860 564 2HB ARG 17 2HB ARG 17 8.425 -8.205 2.672 565 1HG ARG 17 1HG ARG 17 8.007 -10.668 0.969 566 2HG ARG 17 2HG ARG 17 8.199 -9.120 0.150 567 1HD ARG 17 1HD ARG 17 10.336 -8.700 1.101 568 2HD ARG 17 2HD ARG 17 10.234 -10.042 2.229 569 HE ARG 17 HE ARG 17 10.917 -10.159 -0.601 570 1HH1 ARG 17 1HH1 ARG 17 9.565 -12.140 2.068 571 2HH1 ARG 17 2HH1 ARG 17 10.239 -13.600 1.387 572 1HH2 ARG 17 1HH2 ARG 17 11.575 -12.145 -1.460 573 2HH2 ARG 17 2HH2 ARG 17 11.217 -13.628 -0.598 574 H LYS 18 H LYS 18 9.108 -9.392 5.036 575 HA LYS 18 HA LYS 18 10.784 -11.665 4.681 576 1HB LYS 18 1HB LYS 18 11.455 -9.529 5.805 577 2HB LYS 18 2HB LYS 18 10.420 -9.953 7.169 578 1HG LYS 18 1HG LYS 18 12.549 -10.577 7.871 579 2HG LYS 18 2HG LYS 18 11.812 -12.106 7.409 580 1HD LYS 18 1HD LYS 18 12.966 -11.815 5.110 581 2HD LYS 18 2HD LYS 18 13.831 -10.447 5.824 582 1HE LYS 18 1HE LYS 18 13.898 -13.370 6.714 583 2HE LYS 18 2HE LYS 18 15.204 -12.470 5.931 584 1HZ LYS 18 1HZ LYS 18 14.098 -11.991 8.612 585 2HZ LYS 18 2HZ LYS 18 15.581 -12.604 8.250 586 3HZ LYS 18 3HZ LYS 18 15.234 -11.032 7.888 587 H CYS 19 H CYS 19 8.397 -11.054 7.299 588 HA CYS 19 HA CYS 19 8.451 -13.471 8.647 589 1HB CYS 19 1HB CYS 19 7.231 -11.433 9.327 590 2HB CYS 19 2HB CYS 19 6.035 -11.739 8.063 591 H LYS 20 H LYS 20 6.499 -12.721 5.742 592 HA LYS 20 HA LYS 20 5.292 -15.353 5.564 593 1HB LYS 20 1HB LYS 20 5.616 -13.075 3.579 594 2HB LYS 20 2HB LYS 20 4.692 -14.529 3.234 595 1HG LYS 20 1HG LYS 20 4.108 -12.523 5.457 596 2HG LYS 20 2HG LYS 20 3.248 -12.667 3.931 597 1HD LYS 20 1HD LYS 20 3.283 -14.652 6.250 598 2HD LYS 20 2HD LYS 20 1.932 -13.686 5.684 599 1HE LYS 20 1HE LYS 20 3.237 -16.012 4.190 600 2HE LYS 20 2HE LYS 20 1.651 -15.997 4.962 601 1HZ LYS 20 1HZ LYS 20 0.971 -14.303 3.411 602 2HZ LYS 20 2HZ LYS 20 2.447 -14.334 2.680 603 3HZ LYS 20 3HZ LYS 20 1.474 -15.659 2.620 604 H ILE 21 H ILE 21 8.466 -14.302 4.746 605 HA ILE 21 HA ILE 21 10.223 -15.280 3.844 606 HB ILE 21 HB ILE 21 8.652 -17.881 3.888 607 1HG1 ILE 21 1HG1 ILE 21 10.507 -16.560 5.932 608 2HG1 ILE 21 2HG1 ILE 21 8.763 -16.785 6.102 609 1HG2 ILE 21 1HG2 ILE 21 10.861 -18.946 3.843 610 2HG2 ILE 21 2HG2 ILE 21 10.665 -17.948 2.415 611 3HG2 ILE 21 3HG2 ILE 21 11.651 -17.356 3.766 612 1HD1 ILE 21 1HD1 ILE 21 10.858 -18.975 6.082 613 2HD1 ILE 21 2HD1 ILE 21 9.802 -18.466 7.404 614 3HD1 ILE 21 3HD1 ILE 21 9.101 -19.267 5.983 615 H ILE 22 H ILE 22 7.396 -16.558 2.028 616 HA ILE 22 HA ILE 22 8.726 -16.603 -0.500 617 HB ILE 22 HB ILE 22 6.640 -17.795 0.018 618 1HG1 ILE 22 1HG1 ILE 22 6.378 -15.914 -2.372 619 2HG1 ILE 22 2HG1 ILE 22 7.415 -17.349 -2.306 620 1HG2 ILE 22 1HG2 ILE 22 5.495 -15.884 1.250 621 2HG2 ILE 22 2HG2 ILE 22 5.166 -15.148 -0.329 622 3HG2 ILE 22 3HG2 ILE 22 4.485 -16.731 0.083 623 1HD1 ILE 22 1HD1 ILE 22 5.376 -17.921 -3.453 624 2HD1 ILE 22 2HD1 ILE 22 5.391 -18.762 -1.891 625 3HD1 ILE 22 3HD1 ILE 22 4.375 -17.318 -2.126 626 1H ASN 1 1H ASN 1 -10.743 9.355 5.515 627 2H ASN 1 2H ASN 1 -10.874 10.844 4.821 628 3H ASN 1 3H ASN 1 -9.394 10.269 5.250 629 HA ASN 1 HA ASN 1 -11.575 10.903 7.078 630 1HB ASN 1 1HB ASN 1 -10.072 9.009 7.716 631 2HB ASN 1 2HB ASN 1 -8.703 10.124 7.752 632 1HD2 ASN 1 1HD2 ASN 1 -9.354 8.560 9.967 633 2HD2 ASN 1 2HD2 ASN 1 -10.092 9.577 11.198 634 H LEU 2 H LEU 2 -11.172 12.716 8.434 635 HA LEU 2 HA LEU 2 -9.346 14.860 7.426 636 1HB LEU 2 1HB LEU 2 -12.264 15.211 8.228 637 2HB LEU 2 2HB LEU 2 -11.130 16.522 7.887 638 HG LEU 2 HG LEU 2 -12.016 14.410 5.862 639 1HD1 LEU 2 1HD1 LEU 2 -12.862 17.317 6.202 640 2HD1 LEU 2 2HD1 LEU 2 -13.355 16.230 4.886 641 3HD1 LEU 2 3HD1 LEU 2 -13.863 15.891 6.550 642 1HD2 LEU 2 1HD2 LEU 2 -9.800 15.327 5.275 643 2HD2 LEU 2 2HD2 LEU 2 -11.030 16.001 4.205 644 3HD2 LEU 2 3HD2 LEU 2 -10.392 16.981 5.541 645 H VAL 3 H VAL 3 -11.608 13.982 10.062 646 HA VAL 3 HA VAL 3 -10.486 15.414 12.172 647 HB VAL 3 HB VAL 3 -11.814 12.669 12.187 648 1HG1 VAL 3 1HG1 VAL 3 -10.669 13.012 14.335 649 2HG1 VAL 3 2HG1 VAL 3 -11.348 14.650 14.462 650 3HG1 VAL 3 3HG1 VAL 3 -12.407 13.228 14.549 651 1HG2 VAL 3 1HG2 VAL 3 -12.945 15.476 12.598 652 2HG2 VAL 3 2HG2 VAL 3 -13.256 14.430 11.198 653 3HG2 VAL 3 3HG2 VAL 3 -13.848 13.961 12.793 654 H SER 4 H SER 4 -9.530 12.201 10.988 655 HA SER 4 HA SER 4 -7.574 11.055 11.104 656 1HB SER 4 1HB SER 4 -6.343 13.740 11.848 657 2HB SER 4 2HB SER 4 -5.500 12.321 11.230 658 HG SER 4 HG SER 4 -7.373 13.982 9.920 659 H GLY 5 H GLY 5 -8.084 9.645 12.819 660 1HA GLY 5 1HA GLY 5 -7.388 10.167 15.587 661 2HA GLY 5 2HA GLY 5 -7.743 8.603 14.847 662 H LEU 6 H LEU 6 -5.213 11.105 14.697 663 HA LEU 6 HA LEU 6 -3.135 9.746 13.597 664 1HB LEU 6 1HB LEU 6 -3.111 12.126 14.008 665 2HB LEU 6 2HB LEU 6 -3.119 11.886 15.756 666 HG LEU 6 HG LEU 6 -0.830 10.911 15.652 667 1HD1 LEU 6 1HD1 LEU 6 -0.965 11.669 12.702 668 2HD1 LEU 6 2HD1 LEU 6 0.486 11.129 13.568 669 3HD1 LEU 6 3HD1 LEU 6 -0.861 10.008 13.333 670 1HD2 LEU 6 1HD2 LEU 6 -1.110 13.623 14.296 671 2HD2 LEU 6 2HD2 LEU 6 -1.163 13.322 16.048 672 3HD2 LEU 6 3HD2 LEU 6 0.329 13.014 15.140 673 H ILE 7 H ILE 7 -3.338 10.131 17.181 674 HA ILE 7 HA ILE 7 -1.150 8.395 17.640 675 HB ILE 7 HB ILE 7 -1.713 8.469 19.972 676 1HG1 ILE 7 1HG1 ILE 7 -4.334 9.799 19.150 677 2HG1 ILE 7 2HG1 ILE 7 -4.140 8.207 19.913 678 1HG2 ILE 7 1HG2 ILE 7 -2.200 11.202 18.724 679 2HG2 ILE 7 2HG2 ILE 7 -1.426 10.835 20.279 680 3HG2 ILE 7 3HG2 ILE 7 -0.620 10.394 18.775 681 1HD1 ILE 7 1HD1 ILE 7 -4.815 9.749 21.598 682 2HD1 ILE 7 2HD1 ILE 7 -3.123 9.307 21.906 683 3HD1 ILE 7 3HD1 ILE 7 -3.525 10.888 21.189 684 H GLU 8 H GLU 8 -4.632 7.653 17.534 685 HA GLU 8 HA GLU 8 -4.458 4.948 18.455 686 1HB GLU 8 1HB GLU 8 -6.467 6.229 16.530 687 2HB GLU 8 2HB GLU 8 -6.626 4.678 17.347 688 1HG GLU 8 1HG GLU 8 -7.943 6.147 18.615 689 2HG GLU 8 2HG GLU 8 -6.482 5.899 19.574 690 H ALA 9 H ALA 9 -4.557 6.320 15.135 691 HA ALA 9 HA ALA 9 -4.191 3.850 13.775 692 1HB ALA 9 1HB ALA 9 -3.852 5.203 11.833 693 2HB ALA 9 2HB ALA 9 -5.105 5.960 12.818 694 3HB ALA 9 3HB ALA 9 -3.463 6.642 12.820 695 H ARG 10 H ARG 10 -1.796 6.292 14.879 696 HA ARG 10 HA ARG 10 0.523 4.944 13.913 697 1HB ARG 10 1HB ARG 10 0.047 6.885 16.184 698 2HB ARG 10 2HB ARG 10 1.642 6.204 15.894 699 1HG ARG 10 1HG ARG 10 0.044 7.730 13.793 700 2HG ARG 10 2HG ARG 10 1.265 8.448 14.848 701 1HD ARG 10 1HD ARG 10 1.750 6.336 12.697 702 2HD ARG 10 2HD ARG 10 2.244 8.009 12.699 703 HE ARG 10 HE ARG 10 3.839 7.629 14.411 704 1HH1 ARG 10 1HH1 ARG 10 2.435 4.558 13.317 705 2HH1 ARG 10 2HH1 ARG 10 3.810 3.631 13.846 706 1HH2 ARG 10 1HH2 ARG 10 5.552 6.397 15.102 707 2HH2 ARG 10 2HH2 ARG 10 5.563 4.665 14.875 708 H LYS 11 H LYS 11 -1.073 4.656 17.160 709 HA LYS 11 HA LYS 11 0.686 2.649 18.159 710 1HB LYS 11 1HB LYS 11 -2.237 3.272 18.695 711 2HB LYS 11 2HB LYS 11 -1.369 1.973 19.527 712 1HG LYS 11 1HG LYS 11 0.267 3.523 20.430 713 2HG LYS 11 2HG LYS 11 -0.447 4.872 19.528 714 1HD LYS 11 1HD LYS 11 -2.587 4.581 20.766 715 2HD LYS 11 2HD LYS 11 -1.914 3.183 21.616 716 1HE LYS 11 1HE LYS 11 -1.806 5.106 23.089 717 2HE LYS 11 2HE LYS 11 -0.157 4.657 22.626 718 1HZ LYS 11 1HZ LYS 11 -1.758 6.811 21.423 719 2HZ LYS 11 2HZ LYS 11 -0.527 7.016 22.501 720 3HZ LYS 11 3HZ LYS 11 -0.216 6.416 20.997 721 H TYR 12 H TYR 12 -2.385 2.259 16.328 722 HA TYR 12 HA TYR 12 -2.417 -0.560 16.140 723 1HB TYR 12 1HB TYR 12 -4.264 0.878 15.549 724 2HB TYR 12 2HB TYR 12 -3.355 1.618 14.251 725 HD1 TYR 12 1HD TYR 12 -3.127 0.580 12.100 726 HD2 TYR 12 2HD TYR 12 -5.233 -1.395 15.288 727 HE1 TYR 12 1HE TYR 12 -4.277 -0.864 10.442 728 HE2 TYR 12 2HE TYR 12 -6.524 -2.703 13.610 729 HH TYR 12 HH TYR 12 -6.222 -2.127 10.112 730 H LEU 13 H LEU 13 -1.088 1.723 13.691 731 HA LEU 13 HA LEU 13 0.159 -0.138 12.006 732 1HB LEU 13 1HB LEU 13 -0.123 2.175 11.383 733 2HB LEU 13 2HB LEU 13 0.867 2.723 12.736 734 HG LEU 13 HG LEU 13 2.891 1.779 11.725 735 1HD1 LEU 13 1HD1 LEU 13 2.885 0.854 9.456 736 2HD1 LEU 13 2HD1 LEU 13 1.880 -0.152 10.496 737 3HD1 LEU 13 3HD1 LEU 13 1.124 0.996 9.366 738 1HD2 LEU 13 1HD2 LEU 13 2.196 4.078 11.134 739 2HD2 LEU 13 2HD2 LEU 13 3.029 3.291 9.782 740 3HD2 LEU 13 3HD2 LEU 13 1.265 3.439 9.759 741 H GLU 14 H GLU 14 1.665 1.590 14.788 742 HA GLU 14 HA GLU 14 4.183 0.376 14.472 743 1HB GLU 14 1HB GLU 14 3.987 2.420 15.700 744 2HB GLU 14 2HB GLU 14 2.872 1.697 16.861 745 1HG GLU 14 1HG GLU 14 5.150 2.002 17.787 746 2HG GLU 14 2HG GLU 14 4.612 0.330 17.837 747 H GLN 15 H GLN 15 1.439 -0.655 16.594 748 HA GLN 15 HA GLN 15 2.808 -2.870 17.784 749 1HB GLN 15 1HB GLN 15 -0.108 -2.351 17.142 750 2HB GLN 15 2HB GLN 15 0.434 -3.803 17.996 751 1HG GLN 15 1HG GLN 15 1.337 -2.565 19.832 752 2HG GLN 15 2HG GLN 15 1.167 -1.020 18.991 753 1HE2 GLN 15 1HE2 GLN 15 -1.137 -0.568 18.216 754 2HE2 GLN 15 2HE2 GLN 15 -2.413 -0.869 19.415 755 H LEU 16 H LEU 16 0.814 -2.739 14.779 756 HA LEU 16 HA LEU 16 1.193 -5.482 14.065 757 1HB LEU 16 1HB LEU 16 0.718 -3.012 12.364 758 2HB LEU 16 2HB LEU 16 0.609 -4.668 11.753 759 HG LEU 16 HG LEU 16 -1.078 -3.744 14.121 760 1HD1 LEU 16 1HD1 LEU 16 -1.497 -2.207 12.237 761 2HD1 LEU 16 2HD1 LEU 16 -1.759 -3.599 11.170 762 3HD1 LEU 16 3HD1 LEU 16 -2.876 -3.282 12.523 763 1HD2 LEU 16 1HD2 LEU 16 -0.942 -6.192 13.749 764 2HD2 LEU 16 2HD2 LEU 16 -2.553 -5.574 13.363 765 3HD2 LEU 16 3HD2 LEU 16 -1.421 -5.964 12.053 766 H HIS 17 H HIS 17 2.987 -2.602 12.892 767 HA HIS 17 HA HIS 17 5.031 -3.810 11.409 768 1HB HIS 17 1HB HIS 17 4.840 -1.441 11.423 769 2HB HIS 17 2HB HIS 17 4.876 -1.371 13.183 770 HD1 HIS 17 1HD HIS 17 7.001 -0.229 13.953 771 HD2 HIS 17 2HD HIS 17 7.534 -2.884 10.716 772 HE1 HIS 17 1HE HIS 17 9.509 -0.334 13.488 773 H ARG 18 H ARG 18 5.085 -3.114 14.933 774 HA ARG 18 HA ARG 18 7.576 -4.287 15.506 775 1HB ARG 18 1HB ARG 18 6.266 -2.757 16.935 776 2HB ARG 18 2HB ARG 18 5.142 -4.067 17.323 777 1HG ARG 18 1HG ARG 18 7.021 -5.368 18.324 778 2HG ARG 18 2HG ARG 18 8.147 -4.064 17.901 779 1HD ARG 18 1HD ARG 18 5.748 -3.817 19.767 780 2HD ARG 18 2HD ARG 18 7.449 -3.946 20.266 781 HE ARG 18 HE ARG 18 7.217 -1.766 18.453 782 1HH1 ARG 18 1HH1 ARG 18 6.244 -2.569 21.738 783 2HH1 ARG 18 2HH1 ARG 18 6.183 -0.898 22.254 784 1HH2 ARG 18 1HH2 ARG 18 7.104 0.315 19.072 785 2HH2 ARG 18 2HH2 ARG 18 6.711 0.781 20.722 786 H LYS 19 H LYS 19 4.291 -5.804 15.594 787 HA LYS 19 HA LYS 19 5.144 -8.382 16.417 788 1HB LYS 19 1HB LYS 19 2.821 -7.544 16.360 789 2HB LYS 19 2HB LYS 19 2.817 -7.662 14.593 790 1HG LYS 19 1HG LYS 19 3.342 -10.136 14.832 791 2HG LYS 19 2HG LYS 19 3.147 -9.957 16.580 792 1HD LYS 19 1HD LYS 19 1.020 -9.372 14.454 793 2HD LYS 19 2HD LYS 19 1.115 -10.834 15.446 794 1HE LYS 19 1HE LYS 19 0.869 -9.405 17.509 795 2HE LYS 19 2HE LYS 19 0.615 -7.995 16.461 796 1HZ LYS 19 1HZ LYS 19 -1.441 -8.950 17.148 797 2HZ LYS 19 2HZ LYS 19 -1.269 -9.104 15.516 798 3HZ LYS 19 3HZ LYS 19 -1.046 -10.410 16.495 799 H LEU 20 H LEU 20 4.633 -7.166 13.043 800 HA LEU 20 HA LEU 20 5.641 -9.579 11.823 801 1HB LEU 20 1HB LEU 20 5.288 -6.743 10.774 802 2HB LEU 20 2HB LEU 20 5.986 -8.040 9.814 803 HG LEU 20 HG LEU 20 3.783 -7.903 9.143 804 1HD1 LEU 20 1HD1 LEU 20 4.677 -10.237 9.571 805 2HD1 LEU 20 2HD1 LEU 20 3.677 -10.267 11.041 806 3HD1 LEU 20 3HD1 LEU 20 2.914 -10.083 9.457 807 1HD2 LEU 20 1HD2 LEU 20 2.805 -8.080 12.007 808 2HD2 LEU 20 2HD2 LEU 20 2.754 -6.659 10.926 809 3HD2 LEU 20 3HD2 LEU 20 1.801 -8.097 10.549 810 H LYS 21 H LYS 21 7.352 -6.635 12.887 811 HA LYS 21 HA LYS 21 9.917 -7.416 11.892 812 1HB LYS 21 1HB LYS 21 9.264 -5.167 12.746 813 2HB LYS 21 2HB LYS 21 9.261 -5.809 14.393 814 1HG LYS 21 1HG LYS 21 11.667 -6.354 14.200 815 2HG LYS 21 2HG LYS 21 11.662 -5.818 12.505 816 1HD LYS 21 1HD LYS 21 10.982 -3.534 13.222 817 2HD LYS 21 2HD LYS 21 10.991 -4.061 14.916 818 1HE LYS 21 1HE LYS 21 13.415 -4.602 14.735 819 2HE LYS 21 2HE LYS 21 13.405 -4.088 13.037 820 1HZ LYS 21 1HZ LYS 21 12.788 -2.378 15.344 821 2HZ LYS 21 2HZ LYS 21 14.190 -2.362 14.477 822 3HZ LYS 21 3HZ LYS 21 12.775 -1.903 13.766 823 H ASN 22 H ASN 22 8.371 -7.999 15.078 824 HA ASN 22 HA ASN 22 10.438 -9.535 16.225 825 1HB ASN 22 1HB ASN 22 8.372 -8.455 17.300 826 2HB ASN 22 2HB ASN 22 7.482 -9.906 16.833 827 1HD2 ASN 22 1HD2 ASN 22 9.855 -11.775 17.455 828 2HD2 ASN 22 2HD2 ASN 22 9.919 -11.700 19.211 829 H CYS 23 H CYS 23 7.715 -10.581 14.130 830 HA CYS 23 HA CYS 23 8.043 -13.369 14.218 831 1HB CYS 23 1HB CYS 23 6.297 -12.282 12.911 832 2HB CYS 23 2HB CYS 23 7.510 -11.594 11.826 833 H LYS 24 H LYS 24 10.000 -11.015 12.410 834 HA LYS 24 HA LYS 24 12.079 -10.967 11.720 835 1HB LYS 24 1HB LYS 24 12.416 -11.481 14.070 836 2HB LYS 24 2HB LYS 24 12.428 -13.214 13.737 837 1HG LYS 24 1HG LYS 24 14.673 -12.379 14.068 838 2HG LYS 24 2HG LYS 24 14.490 -13.002 12.426 839 1HD LYS 24 1HD LYS 24 14.321 -10.700 11.534 840 2HD LYS 24 2HD LYS 24 14.250 -10.045 13.179 841 1HE LYS 24 1HE LYS 24 16.489 -9.736 12.252 842 2HE LYS 24 2HE LYS 24 16.564 -10.881 13.599 843 1HZ LYS 24 1HZ LYS 24 16.483 -11.598 10.747 844 2HZ LYS 24 2HZ LYS 24 17.828 -11.611 11.700 845 3HZ LYS 24 3HZ LYS 24 16.594 -12.659 12.002 846 H VAL 25 H VAL 25 11.381 -14.487 11.801 847 HA VAL 25 HA VAL 25 13.418 -15.256 10.004 848 HB VAL 25 HB VAL 25 12.221 -17.364 9.781 849 1HG1 VAL 25 1HG1 VAL 25 12.185 -18.014 12.116 850 2HG1 VAL 25 2HG1 VAL 25 13.526 -16.889 11.841 851 3HG1 VAL 25 3HG1 VAL 25 12.042 -16.329 12.644 852 1HG2 VAL 25 1HG2 VAL 25 9.895 -16.018 11.229 853 2HG2 VAL 25 2HG2 VAL 25 9.894 -16.595 9.551 854 3HG2 VAL 25 3HG2 VAL 25 10.046 -17.747 10.882 Start of MODEL 7 1 1H GLU 1 1H GLU 1 2.859 8.243 9.153 2 2H GLU 1 2H GLU 1 1.265 8.670 9.289 3 3H GLU 1 3H GLU 1 1.865 7.393 10.154 4 HA GLU 1 HA GLU 1 1.523 9.247 11.537 5 1HB GLU 1 1HB GLU 1 3.553 9.243 12.703 6 2HB GLU 1 2HB GLU 1 3.375 7.644 11.982 7 1HG GLU 1 1HG GLU 1 5.230 9.866 10.999 8 2HG GLU 1 2HG GLU 1 5.691 8.434 11.908 9 H ASN 2 H ASN 2 3.765 10.056 8.875 10 HA ASN 2 HA ASN 2 3.976 12.817 9.457 11 1HB ASN 2 1HB ASN 2 4.606 13.095 7.063 12 2HB ASN 2 2HB ASN 2 5.523 11.915 7.988 13 1HD2 ASN 2 1HD2 ASN 2 2.396 11.616 6.127 14 2HD2 ASN 2 2HD2 ASN 2 3.002 10.352 5.092 15 H ARG 3 H ARG 3 2.388 14.200 9.768 16 HA ARG 3 HA ARG 3 0.520 15.420 9.570 17 1HB ARG 3 1HB ARG 3 -0.094 14.258 6.834 18 2HB ARG 3 2HB ARG 3 -0.732 15.691 7.610 19 1HG ARG 3 1HG ARG 3 0.730 16.540 6.061 20 2HG ARG 3 2HG ARG 3 1.648 16.674 7.566 21 1HD ARG 3 1HD ARG 3 3.095 14.888 6.928 22 2HD ARG 3 2HD ARG 3 1.891 14.242 5.773 23 HE ARG 3 HE ARG 3 2.880 16.875 5.068 24 1HH1 ARG 3 1HH1 ARG 3 3.501 13.404 4.811 25 2HH1 ARG 3 2HH1 ARG 3 4.360 13.531 3.301 26 1HH2 ARG 3 1HH2 ARG 3 4.034 17.040 3.134 27 2HH2 ARG 3 2HH2 ARG 3 4.729 15.622 2.376 28 H GLU 4 H GLU 4 -0.200 12.169 8.164 29 HA GLU 4 HA GLU 4 -1.980 11.624 10.395 30 1HB GLU 4 1HB GLU 4 -4.015 11.542 9.336 31 2HB GLU 4 2HB GLU 4 -3.282 12.951 8.597 32 1HG GLU 4 1HG GLU 4 -3.752 10.207 7.378 33 2HG GLU 4 2HG GLU 4 -4.375 11.761 6.863 34 H VAL 5 H VAL 5 -3.246 9.414 9.696 35 HA VAL 5 HA VAL 5 -1.369 7.525 8.370 36 HB VAL 5 HB VAL 5 -3.116 7.025 10.814 37 1HG1 VAL 5 1HG1 VAL 5 -1.534 5.039 9.116 38 2HG1 VAL 5 2HG1 VAL 5 -2.262 4.685 10.690 39 3HG1 VAL 5 3HG1 VAL 5 -3.302 5.078 9.316 40 1HG2 VAL 5 1HG2 VAL 5 -0.117 6.672 10.403 41 2HG2 VAL 5 2HG2 VAL 5 -0.857 8.030 11.276 42 3HG2 VAL 5 3HG2 VAL 5 -1.022 6.383 11.900 43 HA PRO 6 HA PRO 6 -5.033 7.719 5.862 44 1HB PRO 6 1HB PRO 6 -4.529 5.808 3.942 45 2HB PRO 6 2HB PRO 6 -3.651 7.358 4.042 46 1HG PRO 6 1HG PRO 6 -2.773 4.698 5.180 47 2HG PRO 6 2HG PRO 6 -1.840 5.804 4.133 48 1HD PRO 6 1HD PRO 6 -1.541 5.844 6.820 49 2HD PRO 6 2HD PRO 6 -1.582 7.387 5.906 50 HA PRO 7 HA PRO 7 -7.539 4.430 7.772 51 1HB PRO 7 1HB PRO 7 -9.912 4.768 6.433 52 2HB PRO 7 2HB PRO 7 -9.335 5.867 7.718 53 1HG PRO 7 1HG PRO 7 -9.034 6.225 4.724 54 2HG PRO 7 2HG PRO 7 -9.649 7.412 5.911 55 1HD PRO 7 1HD PRO 7 -7.095 7.473 5.071 56 2HD PRO 7 2HD PRO 7 -7.462 7.783 6.796 57 H GLY 8 H GLY 8 -7.008 4.794 4.301 58 1HA GLY 8 1HA GLY 8 -7.587 2.316 3.208 59 2HA GLY 8 2HA GLY 8 -6.132 3.254 2.854 60 H PHE 9 H PHE 9 -4.899 3.078 5.503 61 HA PHE 9 HA PHE 9 -3.596 0.508 5.303 62 1HB PHE 9 1HB PHE 9 -2.364 2.333 6.224 63 2HB PHE 9 2HB PHE 9 -3.631 2.693 7.395 64 HD1 PHE 9 1HD PHE 9 -2.885 2.372 9.562 65 HD2 PHE 9 2HD PHE 9 -1.869 -0.532 6.539 66 HE1 PHE 9 1HE PHE 9 -1.802 0.963 11.275 67 HE2 PHE 9 2HE PHE 9 -0.702 -1.893 8.242 68 HZ PHE 9 HZ PHE 9 -0.730 -1.191 10.631 69 H THR 10 H THR 10 -5.986 1.831 7.672 70 HA THR 10 HA THR 10 -6.355 -0.520 9.175 71 HB THR 10 HB THR 10 -8.486 1.569 8.544 72 HG1 THR 10 1HG THR 10 -6.372 1.661 10.429 73 1HG2 THR 10 1HG2 THR 10 -9.157 1.135 10.881 74 2HG2 THR 10 2HG2 THR 10 -9.250 -0.352 9.920 75 3HG2 THR 10 3HG2 THR 10 -7.890 -0.099 11.035 76 H ALA 11 H ALA 11 -8.115 0.645 6.273 77 HA ALA 11 HA ALA 11 -9.915 -1.540 6.007 78 1HB ALA 11 1HB ALA 11 -8.707 0.167 3.794 79 2HB ALA 11 2HB ALA 11 -10.226 -0.756 3.745 80 3HB ALA 11 3HB ALA 11 -10.077 0.643 4.821 81 H LEU 12 H LEU 12 -6.657 -1.074 4.525 82 HA LEU 12 HA LEU 12 -6.440 -3.555 3.210 83 1HB LEU 12 1HB LEU 12 -4.960 -1.638 2.948 84 2HB LEU 12 2HB LEU 12 -4.232 -1.923 4.526 85 HG LEU 12 HG LEU 12 -4.247 -4.069 2.362 86 1HD1 LEU 12 1HD1 LEU 12 -3.330 -2.109 1.305 87 2HD1 LEU 12 2HD1 LEU 12 -2.341 -1.750 2.734 88 3HD1 LEU 12 3HD1 LEU 12 -1.974 -3.170 1.732 89 1HD2 LEU 12 1HD2 LEU 12 -3.455 -4.878 4.571 90 2HD2 LEU 12 2HD2 LEU 12 -2.083 -4.710 3.491 91 3HD2 LEU 12 3HD2 LEU 12 -2.388 -3.470 4.723 92 H ILE 13 H ILE 13 -5.407 -2.740 6.577 93 HA ILE 13 HA ILE 13 -4.601 -5.342 7.338 94 HB ILE 13 HB ILE 13 -5.699 -2.972 8.855 95 1HG1 ILE 13 1HG1 ILE 13 -3.396 -2.928 7.778 96 2HG1 ILE 13 2HG1 ILE 13 -3.494 -2.534 9.490 97 1HG2 ILE 13 1HG2 ILE 13 -4.816 -5.603 10.086 98 2HG2 ILE 13 2HG2 ILE 13 -4.940 -4.058 10.962 99 3HG2 ILE 13 3HG2 ILE 13 -6.381 -4.785 10.265 100 1HD1 ILE 13 1HD1 ILE 13 -2.640 -4.754 10.106 101 2HD1 ILE 13 2HD1 ILE 13 -2.633 -5.257 8.400 102 3HD1 ILE 13 3HD1 ILE 13 -1.550 -3.978 8.959 103 H LYS 14 H LYS 14 -7.875 -3.881 7.744 104 HA LYS 14 HA LYS 14 -9.079 -6.199 8.881 105 1HB LYS 14 1HB LYS 14 -10.223 -3.908 7.246 106 2HB LYS 14 2HB LYS 14 -11.213 -5.171 8.001 107 1HG LYS 14 1HG LYS 14 -10.436 -4.576 10.225 108 2HG LYS 14 2HG LYS 14 -9.240 -3.458 9.568 109 1HD LYS 14 1HD LYS 14 -11.114 -2.187 10.404 110 2HD LYS 14 2HD LYS 14 -11.045 -2.027 8.642 111 1HE LYS 14 1HE LYS 14 -12.878 -3.662 8.393 112 2HE LYS 14 2HE LYS 14 -12.870 -3.974 10.141 113 1HZ LYS 14 1HZ LYS 14 -14.592 -2.459 9.506 114 2HZ LYS 14 2HZ LYS 14 -13.503 -1.696 10.478 115 3HZ LYS 14 3HZ LYS 14 -13.501 -1.409 8.855 116 H THR 15 H THR 15 -9.034 -5.164 5.439 117 HA THR 15 HA THR 15 -10.405 -7.480 4.464 118 HB THR 15 HB THR 15 -9.525 -6.838 2.250 119 HG1 THR 15 1HG THR 15 -8.334 -4.684 3.650 120 1HG2 THR 15 1HG2 THR 15 -11.601 -5.839 3.029 121 2HG2 THR 15 2HG2 THR 15 -10.719 -4.572 3.901 122 3HG2 THR 15 3HG2 THR 15 -10.649 -4.638 2.133 123 H LEU 16 H LEU 16 -6.888 -6.873 4.839 124 HA LEU 16 HA LEU 16 -5.942 -9.353 3.839 125 1HB LEU 16 1HB LEU 16 -4.572 -7.395 4.445 126 2HB LEU 16 2HB LEU 16 -4.829 -7.694 6.153 127 HG LEU 16 HG LEU 16 -3.578 -9.778 4.313 128 1HD1 LEU 16 1HD1 LEU 16 -2.156 -7.558 5.844 129 2HD1 LEU 16 2HD1 LEU 16 -1.374 -8.888 4.960 130 3HD1 LEU 16 3HD1 LEU 16 -2.302 -7.669 4.079 131 1HD2 LEU 16 1HD2 LEU 16 -3.389 -9.251 7.324 132 2HD2 LEU 16 2HD2 LEU 16 -4.143 -10.662 6.555 133 3HD2 LEU 16 3HD2 LEU 16 -2.404 -10.436 6.448 134 H ARG 17 H ARG 17 -6.772 -8.466 7.229 135 HA ARG 17 HA ARG 17 -6.483 -11.011 8.386 136 1HB ARG 17 1HB ARG 17 -6.694 -9.001 9.670 137 2HB ARG 17 2HB ARG 17 -8.339 -8.702 9.108 138 1HG ARG 17 1HG ARG 17 -7.755 -11.333 10.475 139 2HG ARG 17 2HG ARG 17 -7.802 -9.876 11.464 140 1HD ARG 17 1HD ARG 17 -10.039 -9.340 10.855 141 2HD ARG 17 2HD ARG 17 -10.121 -10.563 9.599 142 HE ARG 17 HE ARG 17 -10.451 -10.952 12.457 143 1HH1 ARG 17 1HH1 ARG 17 -9.453 -12.662 9.474 144 2HH1 ARG 17 2HH1 ARG 17 -9.981 -14.200 10.098 145 1HH2 ARG 17 1HH2 ARG 17 -11.018 -13.006 13.203 146 2HH2 ARG 17 2HH2 ARG 17 -10.783 -14.406 12.176 147 H LYS 18 H LYS 18 -9.397 -9.633 6.779 148 HA LYS 18 HA LYS 18 -11.014 -11.954 7.165 149 1HB LYS 18 1HB LYS 18 -11.873 -9.730 6.529 150 2HB LYS 18 2HB LYS 18 -11.112 -9.868 4.944 151 1HG LYS 18 1HG LYS 18 -13.503 -10.350 4.846 152 2HG LYS 18 2HG LYS 18 -12.571 -11.766 4.361 153 1HD LYS 18 1HD LYS 18 -13.003 -12.891 6.454 154 2HD LYS 18 2HD LYS 18 -13.548 -11.389 7.225 155 1HE LYS 18 1HE LYS 18 -15.464 -12.803 6.729 156 2HE LYS 18 2HE LYS 18 -15.537 -11.337 5.740 157 1HZ LYS 18 1HZ LYS 18 -16.033 -13.323 4.495 158 2HZ LYS 18 2HZ LYS 18 -14.673 -12.609 3.903 159 3HZ LYS 18 3HZ LYS 18 -14.551 -13.958 4.836 160 H CYS 19 H CYS 19 -9.256 -10.949 4.202 161 HA CYS 19 HA CYS 19 -9.587 -13.129 2.554 162 1HB CYS 19 1HB CYS 19 -8.524 -11.025 1.923 163 2HB CYS 19 2HB CYS 19 -7.120 -11.410 2.924 164 H LYS 20 H LYS 20 -7.015 -12.793 5.029 165 HA LYS 20 HA LYS 20 -5.888 -15.436 4.464 166 1HB LYS 20 1HB LYS 20 -5.378 -13.438 6.690 167 2HB LYS 20 2HB LYS 20 -4.412 -14.880 6.380 168 1HG LYS 20 1HG LYS 20 -4.698 -12.504 4.479 169 2HG LYS 20 2HG LYS 20 -3.345 -12.866 5.543 170 1HD LYS 20 1HD LYS 20 -2.447 -13.843 3.710 171 2HD LYS 20 2HD LYS 20 -3.435 -15.228 4.188 172 1HE LYS 20 1HE LYS 20 -5.248 -14.369 2.618 173 2HE LYS 20 2HE LYS 20 -4.169 -13.043 2.166 174 1HZ LYS 20 1HZ LYS 20 -4.073 -14.848 0.623 175 2HZ LYS 20 2HZ LYS 20 -2.613 -14.672 1.369 176 3HZ LYS 20 3HZ LYS 20 -3.619 -15.903 1.803 177 H ILE 21 H ILE 21 -8.723 -14.691 6.064 178 HA ILE 21 HA ILE 21 -10.131 -15.872 7.291 179 HB ILE 21 HB ILE 21 -8.233 -18.239 7.163 180 1HG1 ILE 21 1HG1 ILE 21 -8.592 -17.529 4.872 181 2HG1 ILE 21 2HG1 ILE 21 -9.498 -18.994 5.208 182 1HG2 ILE 21 1HG2 ILE 21 -10.344 -19.538 7.370 183 2HG2 ILE 21 2HG2 ILE 21 -9.968 -18.570 8.798 184 3HG2 ILE 21 3HG2 ILE 21 -11.220 -18.023 7.671 185 1HD1 ILE 21 1HD1 ILE 21 -10.817 -17.470 3.849 186 2HD1 ILE 21 2HD1 ILE 21 -11.592 -17.642 5.431 187 3HD1 ILE 21 3HD1 ILE 21 -10.658 -16.178 5.044 188 H ILE 22 H ILE 22 -6.850 -16.574 8.523 189 HA ILE 22 HA ILE 22 -7.640 -16.685 11.303 190 HB ILE 22 HB ILE 22 -4.933 -16.232 9.988 191 1HG1 ILE 22 1HG1 ILE 22 -6.219 -18.771 11.107 192 2HG1 ILE 22 2HG1 ILE 22 -6.039 -18.393 9.390 193 1HG2 ILE 22 1HG2 ILE 22 -5.606 -17.021 12.862 194 2HG2 ILE 22 2HG2 ILE 22 -3.974 -16.894 12.173 195 3HG2 ILE 22 3HG2 ILE 22 -4.949 -15.450 12.356 196 1HD1 ILE 22 1HD1 ILE 22 -4.297 -19.896 9.945 197 2HD1 ILE 22 2HD1 ILE 22 -3.553 -18.306 9.695 198 3HD1 ILE 22 3HD1 ILE 22 -3.785 -18.944 11.343 199 1H ASN 1 1H ASN 1 4.813 8.549 3.330 200 2H ASN 1 2H ASN 1 4.093 10.006 3.112 201 3H ASN 1 3H ASN 1 5.108 9.792 4.391 202 HA ASN 1 HA ASN 1 6.991 9.696 3.088 203 1HB ASN 1 1HB ASN 1 6.953 9.587 0.667 204 2HB ASN 1 2HB ASN 1 6.015 8.246 1.335 205 1HD2 ASN 1 1HD2 ASN 1 3.602 8.520 1.393 206 2HD2 ASN 1 2HD2 ASN 1 2.866 9.533 0.147 207 H LEU 2 H LEU 2 8.110 11.584 2.367 208 HA LEU 2 HA LEU 2 6.924 14.012 3.143 209 1HB LEU 2 1HB LEU 2 9.326 13.587 3.205 210 2HB LEU 2 2HB LEU 2 9.389 13.492 1.441 211 HG LEU 2 HG LEU 2 8.747 15.890 1.278 212 1HD1 LEU 2 1HD1 LEU 2 8.843 15.808 4.328 213 2HD1 LEU 2 2HD1 LEU 2 8.821 17.289 3.352 214 3HD1 LEU 2 3HD1 LEU 2 7.429 16.206 3.323 215 1HD2 LEU 2 1HD2 LEU 2 10.864 16.800 2.121 216 2HD2 LEU 2 2HD2 LEU 2 11.103 15.361 3.134 217 3HD2 LEU 2 3HD2 LEU 2 11.121 15.219 1.362 218 H VAL 3 H VAL 3 7.736 12.964 -0.220 219 HA VAL 3 HA VAL 3 5.465 14.322 -1.368 220 HB VAL 3 HB VAL 3 7.004 16.228 -0.838 221 1HG1 VAL 3 1HG1 VAL 3 9.177 15.053 -1.117 222 2HG1 VAL 3 2HG1 VAL 3 8.907 14.980 -2.869 223 3HG1 VAL 3 3HG1 VAL 3 9.081 16.547 -2.060 224 1HG2 VAL 3 1HG2 VAL 3 6.740 15.887 -3.841 225 2HG2 VAL 3 2HG2 VAL 3 5.412 16.346 -2.748 226 3HG2 VAL 3 3HG2 VAL 3 6.841 17.378 -2.903 227 H SER 4 H SER 4 5.455 14.077 -3.751 228 HA SER 4 HA SER 4 5.689 13.001 -5.698 229 1HB SER 4 1HB SER 4 8.504 12.262 -4.793 230 2HB SER 4 2HB SER 4 7.852 12.161 -6.431 231 HG SER 4 HG SER 4 8.043 14.534 -4.879 232 H GLY 5 H GLY 5 7.293 10.784 -3.379 233 1HA GLY 5 1HA GLY 5 6.737 8.310 -4.511 234 2HA GLY 5 2HA GLY 5 6.806 8.611 -2.766 235 H LEU 6 H LEU 6 4.664 10.158 -2.321 236 HA LEU 6 HA LEU 6 2.370 9.258 -1.813 237 1HB LEU 6 1HB LEU 6 3.027 11.673 -2.075 238 2HB LEU 6 2HB LEU 6 2.624 11.563 -3.785 239 HG LEU 6 HG LEU 6 0.236 11.001 -3.124 240 1HD1 LEU 6 1HD1 LEU 6 -0.357 11.637 -0.724 241 2HD1 LEU 6 2HD1 LEU 6 0.513 10.106 -0.879 242 3HD1 LEU 6 3HD1 LEU 6 1.373 11.576 -0.350 243 1HD2 LEU 6 1HD2 LEU 6 1.379 13.600 -2.010 244 2HD2 LEU 6 2HD2 LEU 6 0.939 13.301 -3.707 245 3HD2 LEU 6 3HD2 LEU 6 -0.316 13.306 -2.456 246 H ILE 7 H ILE 7 2.768 9.900 -5.369 247 HA ILE 7 HA ILE 7 0.192 8.733 -5.914 248 HB ILE 7 HB ILE 7 0.729 8.915 -8.243 249 1HG1 ILE 7 1HG1 ILE 7 3.591 9.529 -7.383 250 2HG1 ILE 7 2HG1 ILE 7 3.030 8.159 -8.354 251 1HG2 ILE 7 1HG2 ILE 7 1.804 11.361 -6.785 252 2HG2 ILE 7 2HG2 ILE 7 0.930 11.308 -8.329 253 3HG2 ILE 7 3HG2 ILE 7 0.088 10.906 -6.834 254 1HD1 ILE 7 1HD1 ILE 7 3.043 11.071 -9.201 255 2HD1 ILE 7 2HD1 ILE 7 4.020 9.740 -9.833 256 3HD1 ILE 7 3HD1 ILE 7 2.269 9.754 -10.120 257 H GLU 8 H GLU 8 3.461 7.353 -6.028 258 HA GLU 8 HA GLU 8 2.618 4.801 -7.167 259 1HB GLU 8 1HB GLU 8 4.874 5.747 -7.493 260 2HB GLU 8 2HB GLU 8 5.185 5.651 -5.751 261 1HG GLU 8 1HG GLU 8 4.926 3.168 -5.847 262 2HG GLU 8 2HG GLU 8 4.576 3.275 -7.580 263 H ALA 9 H ALA 9 3.501 6.038 -3.943 264 HA ALA 9 HA ALA 9 3.103 3.655 -2.450 265 1HB ALA 9 1HB ALA 9 4.283 5.697 -1.673 266 2HB ALA 9 2HB ALA 9 2.725 6.540 -1.555 267 3HB ALA 9 3HB ALA 9 3.066 5.121 -0.529 268 H ARG 10 H ARG 10 0.798 6.295 -3.257 269 HA ARG 10 HA ARG 10 -1.503 5.170 -2.015 270 1HB ARG 10 1HB ARG 10 -1.332 7.497 -2.754 271 2HB ARG 10 2HB ARG 10 -1.345 6.991 -4.453 272 1HG ARG 10 1HG ARG 10 -3.576 5.954 -4.142 273 2HG ARG 10 2HG ARG 10 -3.562 6.358 -2.443 274 1HD ARG 10 1HD ARG 10 -3.862 8.119 -4.882 275 2HD ARG 10 2HD ARG 10 -4.943 7.996 -3.496 276 HE ARG 10 HE ARG 10 -3.073 9.971 -3.909 277 1HH1 ARG 10 1HH1 ARG 10 -3.460 7.728 -1.190 278 2HH1 ARG 10 2HH1 ARG 10 -2.781 8.887 -0.064 279 1HH2 ARG 10 1HH2 ARG 10 -2.628 11.493 -2.362 280 2HH2 ARG 10 2HH2 ARG 10 -2.714 11.086 -0.659 281 H LYS 11 H LYS 11 -0.370 4.905 -5.458 282 HA LYS 11 HA LYS 11 -2.390 3.160 -6.330 283 1HB LYS 11 1HB LYS 11 -0.728 4.267 -7.774 284 2HB LYS 11 2HB LYS 11 0.539 3.190 -7.165 285 1HG LYS 11 1HG LYS 11 -0.683 1.226 -8.069 286 2HG LYS 11 2HG LYS 11 -1.995 2.297 -8.609 287 1HD LYS 11 1HD LYS 11 -0.404 3.484 -10.114 288 2HD LYS 11 2HD LYS 11 0.921 2.475 -9.514 289 1HE LYS 11 1HE LYS 11 0.178 1.613 -11.663 290 2HE LYS 11 2HE LYS 11 -0.224 0.439 -10.400 291 1HZ LYS 11 1HZ LYS 11 -2.081 2.393 -11.582 292 2HZ LYS 11 2HZ LYS 11 -2.022 0.787 -11.944 293 3HZ LYS 11 3HZ LYS 11 -2.467 1.275 -10.435 294 H TYR 12 H TYR 12 0.791 2.256 -4.949 295 HA TYR 12 HA TYR 12 0.503 -0.536 -4.802 296 1HB TYR 12 1HB TYR 12 2.580 0.619 -4.482 297 2HB TYR 12 2HB TYR 12 1.963 1.504 -3.103 298 HD1 TYR 12 1HD TYR 12 2.200 0.691 -0.915 299 HD2 TYR 12 2HD TYR 12 3.013 -1.887 -4.264 300 HE1 TYR 12 1HE TYR 12 3.416 -0.866 0.586 301 HE2 TYR 12 2HE TYR 12 4.305 -3.403 -2.774 302 HH TYR 12 HH TYR 12 4.638 -2.747 0.714 303 H LEU 13 H LEU 13 -0.141 1.774 -2.106 304 HA LEU 13 HA LEU 13 -1.303 0.035 -0.254 305 1HB LEU 13 1HB LEU 13 -0.732 2.304 0.310 306 2HB LEU 13 2HB LEU 13 -1.807 2.952 -0.928 307 HG LEU 13 HG LEU 13 -3.792 2.225 0.334 308 1HD1 LEU 13 1HD1 LEU 13 -1.835 1.405 2.520 309 2HD1 LEU 13 2HD1 LEU 13 -3.601 1.397 2.623 310 3HD1 LEU 13 3HD1 LEU 13 -2.790 0.269 1.535 311 1HD2 LEU 13 1HD2 LEU 13 -1.792 3.831 1.971 312 2HD2 LEU 13 2HD2 LEU 13 -2.848 4.471 0.691 313 3HD2 LEU 13 3HD2 LEU 13 -3.551 3.831 2.193 314 H GLU 14 H GLU 14 -3.047 1.979 -2.722 315 HA GLU 14 HA GLU 14 -5.582 0.951 -1.973 316 1HB GLU 14 1HB GLU 14 -5.037 3.167 -3.110 317 2HB GLU 14 2HB GLU 14 -4.885 2.267 -4.623 318 1HG GLU 14 1HG GLU 14 -7.142 3.219 -4.426 319 2HG GLU 14 2HG GLU 14 -7.262 1.457 -4.316 320 H GLN 15 H GLN 15 -3.336 -0.041 -4.600 321 HA GLN 15 HA GLN 15 -5.085 -2.028 -5.723 322 1HB GLN 15 1HB GLN 15 -2.067 -1.679 -5.710 323 2HB GLN 15 2HB GLN 15 -2.851 -3.044 -6.506 324 1HG GLN 15 1HG GLN 15 -3.573 -0.150 -7.136 325 2HG GLN 15 2HG GLN 15 -2.361 -1.076 -8.028 326 1HE2 GLN 15 1HE2 GLN 15 -3.074 -3.015 -9.230 327 2HE2 GLN 15 2HE2 GLN 15 -4.760 -3.092 -9.733 328 H LEU 16 H LEU 16 -2.536 -2.309 -3.167 329 HA LEU 16 HA LEU 16 -2.980 -5.071 -2.623 330 1HB LEU 16 1HB LEU 16 -2.143 -2.765 -0.835 331 2HB LEU 16 2HB LEU 16 -2.175 -4.447 -0.287 332 HG LEU 16 HG LEU 16 -0.537 -3.545 -2.694 333 1HD1 LEU 16 1HD1 LEU 16 0.290 -3.811 0.230 334 2HD1 LEU 16 2HD1 LEU 16 1.391 -3.553 -1.138 335 3HD1 LEU 16 3HD1 LEU 16 0.210 -2.303 -0.709 336 1HD2 LEU 16 1HD2 LEU 16 -0.418 -6.018 -0.904 337 2HD2 LEU 16 2HD2 LEU 16 -0.953 -5.983 -2.598 338 3HD2 LEU 16 3HD2 LEU 16 0.730 -5.625 -2.199 339 H HIS 17 H HIS 17 -4.494 -2.234 -0.985 340 HA HIS 17 HA HIS 17 -6.382 -3.607 0.573 341 1HB HIS 17 1HB HIS 17 -6.059 -1.246 0.832 342 2HB HIS 17 2HB HIS 17 -6.479 -0.935 -0.853 343 HD1 HIS 17 1HD HIS 17 -8.757 0.207 -0.967 344 HD2 HIS 17 2HD HIS 17 -8.508 -2.867 1.904 345 HE1 HIS 17 1HE HIS 17 -11.100 -0.083 0.010 346 H ARG 18 H ARG 18 -6.868 -2.432 -2.793 347 HA ARG 18 HA ARG 18 -9.469 -3.391 -3.192 348 1HB ARG 18 1HB ARG 18 -8.333 -1.792 -4.614 349 2HB ARG 18 2HB ARG 18 -7.189 -3.021 -5.173 350 1HG ARG 18 1HG ARG 18 -8.980 -4.264 -6.282 351 2HG ARG 18 2HG ARG 18 -10.204 -3.161 -5.619 352 1HD ARG 18 1HD ARG 18 -7.925 -2.324 -7.469 353 2HD ARG 18 2HD ARG 18 -9.566 -2.676 -8.001 354 HE ARG 18 HE ARG 18 -10.421 -0.859 -6.630 355 1HH1 ARG 18 1HH1 ARG 18 -6.927 -0.586 -7.412 356 2HH1 ARG 18 2HH1 ARG 18 -6.913 1.096 -6.969 357 1HH2 ARG 18 1HH2 ARG 18 -10.303 1.285 -6.162 358 2HH2 ARG 18 2HH2 ARG 18 -8.805 2.168 -6.332 359 H LYS 19 H LYS 19 -6.372 -5.096 -3.941 360 HA LYS 19 HA LYS 19 -7.585 -7.509 -4.910 361 1HB LYS 19 1HB LYS 19 -4.887 -6.922 -3.640 362 2HB LYS 19 2HB LYS 19 -5.328 -8.501 -4.314 363 1HG LYS 19 1HG LYS 19 -5.681 -7.559 -6.516 364 2HG LYS 19 2HG LYS 19 -5.437 -5.910 -5.920 365 1HD LYS 19 1HD LYS 19 -3.118 -6.496 -5.226 366 2HD LYS 19 2HD LYS 19 -3.324 -8.118 -5.909 367 1HE LYS 19 1HE LYS 19 -3.541 -5.490 -7.468 368 2HE LYS 19 2HE LYS 19 -2.120 -6.549 -7.444 369 1HZ LYS 19 1HZ LYS 19 -3.473 -8.286 -8.383 370 2HZ LYS 19 2HZ LYS 19 -4.781 -7.285 -8.444 371 3HZ LYS 19 3HZ LYS 19 -3.452 -6.958 -9.360 372 H LEU 20 H LEU 20 -6.337 -6.690 -1.640 373 HA LEU 20 HA LEU 20 -7.136 -9.111 -0.336 374 1HB LEU 20 1HB LEU 20 -6.522 -6.286 0.545 375 2HB LEU 20 2HB LEU 20 -7.079 -7.484 1.703 376 HG LEU 20 HG LEU 20 -5.206 -8.774 1.617 377 1HD1 LEU 20 1HD1 LEU 20 -4.299 -7.571 -1.032 378 2HD1 LEU 20 2HD1 LEU 20 -3.406 -8.729 -0.042 379 3HD1 LEU 20 3HD1 LEU 20 -4.929 -9.214 -0.785 380 1HD2 LEU 20 1HD2 LEU 20 -3.343 -7.262 1.965 381 2HD2 LEU 20 2HD2 LEU 20 -4.080 -6.031 0.922 382 3HD2 LEU 20 3HD2 LEU 20 -4.828 -6.424 2.478 383 H LYS 21 H LYS 21 -9.004 -6.125 -0.964 384 HA LYS 21 HA LYS 21 -11.357 -6.976 0.454 385 1HB LYS 21 1HB LYS 21 -10.820 -4.668 -0.281 386 2HB LYS 21 2HB LYS 21 -11.122 -5.115 -1.954 387 1HG LYS 21 1HG LYS 21 -13.189 -5.306 0.293 388 2HG LYS 21 2HG LYS 21 -12.960 -3.908 -0.761 389 1HD LYS 21 1HD LYS 21 -13.381 -5.461 -2.762 390 2HD LYS 21 2HD LYS 21 -13.943 -6.671 -1.586 391 1HE LYS 21 1HE LYS 21 -15.608 -5.063 -0.708 392 2HE LYS 21 2HE LYS 21 -15.085 -3.868 -1.912 393 1HZ LYS 21 1HZ LYS 21 -17.002 -5.076 -2.643 394 2HZ LYS 21 2HZ LYS 21 -15.720 -5.408 -3.625 395 3HZ LYS 21 3HZ LYS 21 -16.210 -6.516 -2.508 396 H ASN 22 H ASN 22 -10.571 -7.103 -3.057 397 HA ASN 22 HA ASN 22 -12.901 -8.549 -3.819 398 1HB ASN 22 1HB ASN 22 -10.209 -8.119 -5.149 399 2HB ASN 22 2HB ASN 22 -11.452 -9.147 -5.872 400 1HD2 ASN 22 1HD2 ASN 22 -10.845 -5.784 -4.780 401 2HD2 ASN 22 2HD2 ASN 22 -12.116 -5.113 -5.809 402 H CYS 23 H CYS 23 -9.812 -9.801 -2.623 403 HA CYS 23 HA CYS 23 -10.078 -12.551 -2.993 404 1HB CYS 23 1HB CYS 23 -8.206 -11.496 -1.843 405 2HB CYS 23 2HB CYS 23 -9.275 -10.994 -0.530 406 H LYS 24 H LYS 24 -11.877 -10.517 -0.679 407 HA LYS 24 HA LYS 24 -13.799 -10.714 0.365 408 1HB LYS 24 1HB LYS 24 -14.463 -11.134 -1.953 409 2HB LYS 24 2HB LYS 24 -14.382 -12.883 -1.671 410 1HG LYS 24 1HG LYS 24 -16.190 -12.755 -0.024 411 2HG LYS 24 2HG LYS 24 -16.141 -10.987 -0.059 412 1HD LYS 24 1HD LYS 24 -18.039 -11.772 -1.352 413 2HD LYS 24 2HD LYS 24 -16.872 -10.986 -2.427 414 1HE LYS 24 1HE LYS 24 -16.042 -13.180 -3.189 415 2HE LYS 24 2HE LYS 24 -17.084 -14.010 -2.015 416 1HZ LYS 24 1HZ LYS 24 -18.027 -13.981 -4.203 417 2HZ LYS 24 2HZ LYS 24 -18.974 -13.110 -3.172 418 3HZ LYS 24 3HZ LYS 24 -17.997 -12.334 -4.250 419 H VAL 25 H VAL 25 -12.780 -14.120 -0.110 420 HA VAL 25 HA VAL 25 -14.383 -15.291 1.846 421 HB VAL 25 HB VAL 25 -12.790 -17.158 1.843 422 1HG1 VAL 25 1HG1 VAL 25 -14.435 -16.894 0.008 423 2HG1 VAL 25 2HG1 VAL 25 -13.223 -16.020 -0.952 424 3HG1 VAL 25 3HG1 VAL 25 -12.955 -17.716 -0.516 425 1HG2 VAL 25 1HG2 VAL 25 -10.636 -15.932 1.790 426 2HG2 VAL 25 2HG2 VAL 25 -10.754 -17.102 0.472 427 3HG2 VAL 25 3HG2 VAL 25 -10.985 -15.379 0.141 428 1H GLU 1 1H GLU 1 -2.367 15.703 4.853 429 2H GLU 1 2H GLU 1 -2.289 14.364 5.804 430 3H GLU 1 3H GLU 1 -2.556 15.842 6.483 431 HA GLU 1 HA GLU 1 -4.545 14.583 6.486 432 1HB GLU 1 1HB GLU 1 -4.574 16.936 4.539 433 2HB GLU 1 2HB GLU 1 -6.009 16.155 5.214 434 1HG GLU 1 1HG GLU 1 -5.657 18.057 6.557 435 2HG GLU 1 2HG GLU 1 -5.130 16.689 7.541 436 H ASN 2 H ASN 2 -3.588 15.231 3.097 437 HA ASN 2 HA ASN 2 -5.629 13.510 2.026 438 1HB ASN 2 1HB ASN 2 -4.576 14.113 -0.161 439 2HB ASN 2 2HB ASN 2 -5.010 15.476 0.870 440 1HD2 ASN 2 1HD2 ASN 2 -2.211 13.431 -0.028 441 2HD2 ASN 2 2HD2 ASN 2 -1.034 14.751 0.139 442 H ARG 3 H ARG 3 -4.670 11.712 3.540 443 HA ARG 3 HA ARG 3 -3.684 9.651 3.767 444 1HB ARG 3 1HB ARG 3 -4.663 9.639 0.889 445 2HB ARG 3 2HB ARG 3 -4.061 8.186 1.710 446 1HG ARG 3 1HG ARG 3 -5.813 8.438 3.437 447 2HG ARG 3 2HG ARG 3 -6.426 9.878 2.607 448 1HD ARG 3 1HD ARG 3 -7.766 7.915 1.990 449 2HD ARG 3 2HD ARG 3 -6.882 8.541 0.585 450 HE ARG 3 HE ARG 3 -5.358 6.482 1.899 451 1HH1 ARG 3 1HH1 ARG 3 -8.177 6.854 -0.222 452 2HH1 ARG 3 2HH1 ARG 3 -7.900 5.298 -0.998 453 1HH2 ARG 3 1HH2 ARG 3 -5.083 4.469 0.828 454 2HH2 ARG 3 2HH2 ARG 3 -6.236 4.009 -0.417 455 H GLU 4 H GLU 4 -1.583 11.072 3.888 456 HA GLU 4 HA GLU 4 0.201 10.852 1.586 457 1HB GLU 4 1HB GLU 4 0.499 12.133 4.323 458 2HB GLU 4 2HB GLU 4 1.715 12.210 3.029 459 1HG GLU 4 1HG GLU 4 0.062 13.202 1.485 460 2HG GLU 4 2HG GLU 4 -1.188 13.154 2.736 461 H VAL 5 H VAL 5 -0.158 8.501 1.788 462 HA VAL 5 HA VAL 5 0.342 6.604 3.351 463 HB VAL 5 HB VAL 5 1.822 6.599 0.724 464 1HG1 VAL 5 1HG1 VAL 5 0.661 4.363 2.458 465 2HG1 VAL 5 2HG1 VAL 5 1.297 4.141 0.819 466 3HG1 VAL 5 3HG1 VAL 5 2.384 4.640 2.118 467 1HG2 VAL 5 1HG2 VAL 5 -1.102 6.168 1.430 468 2HG2 VAL 5 2HG2 VAL 5 -0.408 7.256 0.205 469 3HG2 VAL 5 3HG2 VAL 5 -0.366 5.512 -0.044 470 HA PRO 6 HA PRO 6 4.185 7.858 5.248 471 1HB PRO 6 1HB PRO 6 4.044 6.511 7.619 472 2HB PRO 6 2HB PRO 6 2.994 7.901 7.180 473 1HG PRO 6 1HG PRO 6 2.349 4.951 6.920 474 2HG PRO 6 2HG PRO 6 1.373 6.211 7.736 475 1HD PRO 6 1HD PRO 6 0.873 5.484 5.183 476 2HD PRO 6 2HD PRO 6 0.779 7.211 5.666 477 HA PRO 7 HA PRO 7 7.143 4.715 4.125 478 1HB PRO 7 1HB PRO 7 9.230 5.199 5.862 479 2HB PRO 7 2HB PRO 7 8.833 6.238 4.465 480 1HG PRO 7 1HG PRO 7 8.000 6.647 7.350 481 2HG PRO 7 2HG PRO 7 8.734 7.838 6.241 482 1HD PRO 7 1HD PRO 7 6.070 7.769 6.627 483 2HD PRO 7 2HD PRO 7 6.721 8.037 4.987 484 H GLY 8 H GLY 8 6.357 5.123 7.581 485 1HA GLY 8 1HA GLY 8 6.940 2.633 8.665 486 2HA GLY 8 2HA GLY 8 5.539 3.621 9.096 487 H PHE 9 H PHE 9 4.195 3.439 6.469 488 HA PHE 9 HA PHE 9 2.814 0.893 6.894 489 1HB PHE 9 1HB PHE 9 1.453 2.686 6.188 490 2HB PHE 9 2HB PHE 9 2.543 3.143 4.885 491 HD1 PHE 9 1HD PHE 9 0.397 0.297 6.006 492 HD2 PHE 9 2HD PHE 9 2.339 2.260 2.705 493 HE1 PHE 9 1HE PHE 9 -0.698 -1.275 4.420 494 HE2 PHE 9 2HE PHE 9 1.200 0.737 1.124 495 HZ PHE 9 HZ PHE 9 -0.248 -1.082 1.972 496 H THR 10 H THR 10 4.774 2.236 4.167 497 HA THR 10 HA THR 10 4.943 -0.095 2.641 498 HB THR 10 HB THR 10 7.146 1.981 3.009 499 HG1 THR 10 1HG THR 10 5.959 3.042 1.321 500 1HG2 THR 10 1HG2 THR 10 6.277 0.308 0.601 501 2HG2 THR 10 2HG2 THR 10 7.571 1.522 0.611 502 3HG2 THR 10 3HG2 THR 10 7.752 0.035 1.557 503 H ALA 11 H ALA 11 7.092 0.994 5.278 504 HA ALA 11 HA ALA 11 8.869 -1.218 5.311 505 1HB ALA 11 1HB ALA 11 9.287 0.972 6.376 506 2HB ALA 11 2HB ALA 11 8.043 0.615 7.592 507 3HB ALA 11 3HB ALA 11 9.515 -0.381 7.495 508 H LEU 12 H LEU 12 5.839 -0.666 7.251 509 HA LEU 12 HA LEU 12 5.785 -3.127 8.603 510 1HB LEU 12 1HB LEU 12 4.259 -1.334 9.074 511 2HB LEU 12 2HB LEU 12 3.461 -1.482 7.515 512 HG LEU 12 HG LEU 12 3.521 -3.791 9.492 513 1HD1 LEU 12 1HD1 LEU 12 1.572 -1.477 9.325 514 2HD1 LEU 12 2HD1 LEU 12 1.255 -2.965 10.231 515 3HD1 LEU 12 3HD1 LEU 12 2.599 -1.929 10.712 516 1HD2 LEU 12 1HD2 LEU 12 2.649 -4.503 7.308 517 2HD2 LEU 12 2HD2 LEU 12 1.282 -4.289 8.374 518 3HD2 LEU 12 3HD2 LEU 12 1.660 -3.032 7.184 519 H ILE 13 H ILE 13 4.339 -2.420 5.356 520 HA ILE 13 HA ILE 13 3.535 -5.124 4.909 521 HB ILE 13 HB ILE 13 4.179 -2.934 2.915 522 1HG1 ILE 13 1HG1 ILE 13 2.324 -2.347 4.455 523 2HG1 ILE 13 2HG1 ILE 13 1.821 -2.543 2.780 524 1HG2 ILE 13 1HG2 ILE 13 2.724 -4.287 1.357 525 2HG2 ILE 13 2HG2 ILE 13 4.276 -5.035 1.754 526 3HG2 ILE 13 3HG2 ILE 13 2.802 -5.626 2.525 527 1HD1 ILE 13 1HD1 ILE 13 0.842 -4.751 3.294 528 2HD1 ILE 13 2HD1 ILE 13 1.387 -4.613 4.983 529 3HD1 ILE 13 3HD1 ILE 13 0.184 -3.494 4.343 530 H LYS 14 H LYS 14 6.598 -3.504 3.899 531 HA LYS 14 HA LYS 14 7.771 -5.784 2.677 532 1HB LYS 14 1HB LYS 14 8.631 -3.469 2.608 533 2HB LYS 14 2HB LYS 14 9.132 -3.600 4.302 534 1HG LYS 14 1HG LYS 14 10.617 -5.523 3.689 535 2HG LYS 14 2HG LYS 14 10.150 -5.338 1.995 536 1HD LYS 14 1HD LYS 14 11.534 -3.206 3.703 537 2HD LYS 14 2HD LYS 14 12.348 -4.299 2.575 538 1HE LYS 14 1HE LYS 14 10.951 -3.359 0.702 539 2HE LYS 14 2HE LYS 14 10.288 -2.168 1.839 540 1HZ LYS 14 1HZ LYS 14 12.120 -1.287 0.622 541 2HZ LYS 14 2HZ LYS 14 12.504 -1.382 2.222 542 3HZ LYS 14 3HZ LYS 14 13.122 -2.479 1.159 543 H THR 15 H THR 15 7.742 -4.805 6.115 544 HA THR 15 HA THR 15 9.268 -7.053 7.056 545 HB THR 15 HB THR 15 7.299 -5.380 8.659 546 HG1 THR 15 1HG THR 15 8.837 -4.063 7.625 547 1HG2 THR 15 1HG2 THR 15 8.231 -7.435 9.804 548 2HG2 THR 15 2HG2 THR 15 9.863 -6.851 9.436 549 3HG2 THR 15 3HG2 THR 15 8.808 -5.912 10.509 550 H LEU 16 H LEU 16 5.782 -6.587 6.481 551 HA LEU 16 HA LEU 16 4.874 -9.031 7.642 552 1HB LEU 16 1HB LEU 16 3.503 -7.045 6.897 553 2HB LEU 16 2HB LEU 16 3.673 -7.582 5.237 554 HG LEU 16 HG LEU 16 2.571 -9.469 7.337 555 1HD1 LEU 16 1HD1 LEU 16 1.293 -7.366 7.552 556 2HD1 LEU 16 2HD1 LEU 16 1.003 -7.354 5.799 557 3HD1 LEU 16 3HD1 LEU 16 0.311 -8.639 6.815 558 1HD2 LEU 16 1HD2 LEU 16 3.020 -10.442 5.098 559 2HD2 LEU 16 2HD2 LEU 16 1.279 -10.299 5.350 560 3HD2 LEU 16 3HD2 LEU 16 2.118 -9.123 4.326 561 H ARG 17 H ARG 17 5.793 -8.233 4.257 562 HA ARG 17 HA ARG 17 5.726 -10.870 3.221 563 1HB ARG 17 1HB ARG 17 7.455 -8.469 2.503 564 2HB ARG 17 2HB ARG 17 7.539 -10.014 1.649 565 1HG ARG 17 1HG ARG 17 5.086 -9.876 1.187 566 2HG ARG 17 2HG ARG 17 5.065 -8.246 1.891 567 1HD ARG 17 1HD ARG 17 6.864 -9.107 -0.422 568 2HD ARG 17 2HD ARG 17 5.287 -8.387 -0.657 569 HE ARG 17 HE ARG 17 7.703 -7.090 0.553 570 1HH1 ARG 17 1HH1 ARG 17 4.428 -6.606 -0.791 571 2HH1 ARG 17 2HH1 ARG 17 4.610 -4.856 -0.721 572 1HH2 ARG 17 1HH2 ARG 17 7.811 -4.815 0.524 573 2HH2 ARG 17 2HH2 ARG 17 6.416 -3.907 -0.054 574 H LYS 18 H LYS 18 8.492 -9.172 4.796 575 HA LYS 18 HA LYS 18 10.298 -11.319 4.707 576 1HB LYS 18 1HB LYS 18 10.687 -8.882 5.435 577 2HB LYS 18 2HB LYS 18 10.130 -9.385 7.042 578 1HG LYS 18 1HG LYS 18 11.899 -11.253 6.888 579 2HG LYS 18 2HG LYS 18 12.512 -10.424 5.451 580 1HD LYS 18 1HD LYS 18 12.721 -8.323 6.898 581 2HD LYS 18 2HD LYS 18 12.331 -9.331 8.303 582 1HE LYS 18 1HE LYS 18 14.697 -9.720 6.401 583 2HE LYS 18 2HE LYS 18 14.784 -9.042 8.034 584 1HZ LYS 18 1HZ LYS 18 13.919 -11.778 7.387 585 2HZ LYS 18 2HZ LYS 18 15.396 -11.348 7.971 586 3HZ LYS 18 3HZ LYS 18 14.057 -11.149 8.902 587 H CYS 19 H CYS 19 8.105 -10.518 7.454 588 HA CYS 19 HA CYS 19 8.590 -12.691 9.140 589 1HB CYS 19 1HB CYS 19 7.147 -10.782 9.772 590 2HB CYS 19 2HB CYS 19 5.977 -11.264 8.540 591 H LYS 20 H LYS 20 6.218 -12.532 6.433 592 HA LYS 20 HA LYS 20 5.590 -15.402 6.704 593 1HB LYS 20 1HB LYS 20 4.678 -13.323 4.682 594 2HB LYS 20 2HB LYS 20 4.049 -14.972 4.852 595 1HG LYS 20 1HG LYS 20 3.428 -14.421 7.246 596 2HG LYS 20 2HG LYS 20 3.850 -12.732 6.903 597 1HD LYS 20 1HD LYS 20 2.197 -12.735 5.016 598 2HD LYS 20 2HD LYS 20 1.756 -14.402 5.425 599 1HE LYS 20 1HE LYS 20 1.057 -13.668 7.700 600 2HE LYS 20 2HE LYS 20 1.490 -11.998 7.296 601 1HZ LYS 20 1HZ LYS 20 -0.841 -12.401 7.018 602 2HZ LYS 20 2HZ LYS 20 -0.155 -12.065 5.557 603 3HZ LYS 20 3HZ LYS 20 -0.555 -13.617 5.943 604 H ILE 21 H ILE 21 8.356 -14.154 5.613 605 HA ILE 21 HA ILE 21 9.982 -14.754 4.247 606 HB ILE 21 HB ILE 21 8.397 -17.207 3.410 607 1HG1 ILE 21 1HG1 ILE 21 8.506 -17.278 5.822 608 2HG1 ILE 21 2HG1 ILE 21 9.633 -18.436 5.133 609 1HG2 ILE 21 1HG2 ILE 21 10.266 -16.775 1.946 610 2HG2 ILE 21 2HG2 ILE 21 11.361 -16.540 3.317 611 3HG2 ILE 21 3HG2 ILE 21 10.661 -18.140 2.995 612 1HD1 ILE 21 1HD1 ILE 21 10.624 -17.318 7.048 613 2HD1 ILE 21 2HD1 ILE 21 11.523 -16.861 5.593 614 3HD1 ILE 21 3HD1 ILE 21 10.368 -15.724 6.329 615 H ILE 22 H ILE 22 6.975 -15.523 2.481 616 HA ILE 22 HA ILE 22 7.992 -14.158 0.061 617 HB ILE 22 HB ILE 22 6.859 -16.324 -0.128 618 1HG1 ILE 22 1HG1 ILE 22 5.353 -14.046 -1.491 619 2HG1 ILE 22 2HG1 ILE 22 6.943 -14.659 -1.973 620 1HG2 ILE 22 1HG2 ILE 22 4.249 -14.916 0.580 621 2HG2 ILE 22 2HG2 ILE 22 4.500 -16.629 0.210 622 3HG2 ILE 22 3HG2 ILE 22 5.134 -15.960 1.708 623 1HD1 ILE 22 1HD1 ILE 22 5.280 -15.648 -3.402 624 2HD1 ILE 22 2HD1 ILE 22 5.927 -16.920 -2.347 625 3HD1 ILE 22 3HD1 ILE 22 4.325 -16.212 -2.024 626 1H ASN 1 1H ASN 1 -11.747 16.431 18.339 627 2H ASN 1 2H ASN 1 -10.187 16.092 17.939 628 3H ASN 1 3H ASN 1 -11.360 16.112 16.772 629 HA ASN 1 HA ASN 1 -11.269 14.249 19.019 630 1HB ASN 1 1HB ASN 1 -13.049 13.031 17.838 631 2HB ASN 1 2HB ASN 1 -13.531 14.657 18.335 632 1HD2 ASN 1 1HD2 ASN 1 -15.099 13.420 16.464 633 2HD2 ASN 1 2HD2 ASN 1 -14.809 14.166 14.897 634 H LEU 2 H LEU 2 -10.880 14.420 15.474 635 HA LEU 2 HA LEU 2 -10.025 11.985 14.771 636 1HB LEU 2 1HB LEU 2 -10.343 13.873 13.295 637 2HB LEU 2 2HB LEU 2 -8.840 14.629 13.824 638 HG LEU 2 HG LEU 2 -8.687 11.817 12.725 639 1HD1 LEU 2 1HD1 LEU 2 -10.219 12.911 11.151 640 2HD1 LEU 2 2HD1 LEU 2 -9.101 14.286 10.989 641 3HD1 LEU 2 3HD1 LEU 2 -8.630 12.674 10.408 642 1HD2 LEU 2 1HD2 LEU 2 -6.955 14.307 12.310 643 2HD2 LEU 2 2HD2 LEU 2 -6.598 13.021 13.474 644 3HD2 LEU 2 3HD2 LEU 2 -6.586 12.668 11.745 645 H VAL 3 H VAL 3 -7.882 14.305 16.375 646 HA VAL 3 HA VAL 3 -5.412 13.093 16.259 647 HB VAL 3 HB VAL 3 -4.946 14.082 18.461 648 1HG1 VAL 3 1HG1 VAL 3 -5.271 16.396 17.782 649 2HG1 VAL 3 2HG1 VAL 3 -4.826 15.413 16.379 650 3HG1 VAL 3 3HG1 VAL 3 -6.512 15.927 16.607 651 1HG2 VAL 3 1HG2 VAL 3 -7.907 14.840 18.504 652 2HG2 VAL 3 2HG2 VAL 3 -7.081 13.755 19.645 653 3HG2 VAL 3 3HG2 VAL 3 -6.654 15.465 19.588 654 H SER 4 H SER 4 -8.108 12.022 18.354 655 HA SER 4 HA SER 4 -6.643 10.094 19.893 656 1HB SER 4 1HB SER 4 -8.848 9.107 20.351 657 2HB SER 4 2HB SER 4 -8.872 10.866 20.543 658 HG SER 4 HG SER 4 -9.935 11.043 18.571 659 H GLY 5 H GLY 5 -8.909 9.444 17.255 660 1HA GLY 5 1HA GLY 5 -8.257 6.888 16.436 661 2HA GLY 5 2HA GLY 5 -8.735 8.172 15.314 662 H LEU 6 H LEU 6 -6.589 9.890 15.330 663 HA LEU 6 HA LEU 6 -4.703 8.623 13.656 664 1HB LEU 6 1HB LEU 6 -5.101 10.979 13.523 665 2HB LEU 6 2HB LEU 6 -4.567 11.233 15.188 666 HG LEU 6 HG LEU 6 -2.263 10.675 14.617 667 1HD1 LEU 6 1HD1 LEU 6 -1.601 10.301 12.252 668 2HD1 LEU 6 2HD1 LEU 6 -2.590 8.977 12.856 669 3HD1 LEU 6 3HD1 LEU 6 -3.324 10.200 11.800 670 1HD2 LEU 6 1HD2 LEU 6 -1.783 12.576 13.138 671 2HD2 LEU 6 2HD2 LEU 6 -3.481 12.631 12.623 672 3HD2 LEU 6 3HD2 LEU 6 -3.048 12.996 14.307 673 H ILE 7 H ILE 7 -4.107 9.710 17.108 674 HA ILE 7 HA ILE 7 -1.527 8.461 17.108 675 HB ILE 7 HB ILE 7 -1.431 8.715 19.463 676 1HG1 ILE 7 1HG1 ILE 7 -4.357 9.532 19.435 677 2HG1 ILE 7 2HG1 ILE 7 -3.691 8.055 20.141 678 1HG2 ILE 7 1HG2 ILE 7 -1.509 11.118 19.542 679 2HG2 ILE 7 2HG2 ILE 7 -1.062 10.632 17.907 680 3HG2 ILE 7 3HG2 ILE 7 -2.712 11.187 18.241 681 1HD1 ILE 7 1HD1 ILE 7 -2.311 9.460 21.688 682 2HD1 ILE 7 2HD1 ILE 7 -3.175 10.895 21.080 683 3HD1 ILE 7 3HD1 ILE 7 -4.065 9.611 21.911 684 H GLU 8 H GLU 8 -4.722 7.161 18.042 685 HA GLU 8 HA GLU 8 -3.860 4.631 18.985 686 1HB GLU 8 1HB GLU 8 -6.139 5.536 19.173 687 2HB GLU 8 2HB GLU 8 -6.368 5.387 17.425 688 1HG GLU 8 1HG GLU 8 -6.092 2.915 17.596 689 2HG GLU 8 2HG GLU 8 -5.808 3.068 19.339 690 H ALA 9 H ALA 9 -4.792 5.557 15.624 691 HA ALA 9 HA ALA 9 -4.111 3.119 14.366 692 1HB ALA 9 1HB ALA 9 -5.474 4.886 13.335 693 2HB ALA 9 2HB ALA 9 -4.052 5.947 13.237 694 3HB ALA 9 3HB ALA 9 -4.106 4.438 12.300 695 H ARG 10 H ARG 10 -2.081 6.006 15.006 696 HA ARG 10 HA ARG 10 0.226 5.028 13.657 697 1HB ARG 10 1HB ARG 10 -0.362 7.398 14.402 698 2HB ARG 10 2HB ARG 10 0.279 6.987 15.997 699 1HG ARG 10 1HG ARG 10 1.841 6.553 13.416 700 2HG ARG 10 2HG ARG 10 1.795 8.131 14.191 701 1HD ARG 10 1HD ARG 10 3.013 7.472 16.049 702 2HD ARG 10 2HD ARG 10 2.700 5.761 15.861 703 HE ARG 10 HE ARG 10 4.765 7.321 14.543 704 1HH1 ARG 10 1HH1 ARG 10 2.885 4.304 14.339 705 2HH1 ARG 10 2HH1 ARG 10 3.996 3.590 13.198 706 1HH2 ARG 10 1HH2 ARG 10 6.155 6.342 13.079 707 2HH2 ARG 10 2HH2 ARG 10 5.833 4.736 12.478 708 H LYS 11 H LYS 11 -0.720 4.819 17.112 709 HA LYS 11 HA LYS 11 1.556 3.325 18.019 710 1HB LYS 11 1HB LYS 11 -1.304 3.568 19.009 711 2HB LYS 11 2HB LYS 11 -0.061 2.639 19.860 712 1HG LYS 11 1HG LYS 11 1.320 4.579 20.204 713 2HG LYS 11 2HG LYS 11 0.307 5.578 19.151 714 1HD LYS 11 1HD LYS 11 -1.614 5.295 20.691 715 2HD LYS 11 2HD LYS 11 -0.614 4.295 21.766 716 1HE LYS 11 1HE LYS 11 0.935 6.208 22.109 717 2HE LYS 11 2HE LYS 11 -0.033 7.202 21.006 718 1HZ LYS 11 1HZ LYS 11 -0.980 6.043 23.533 719 2HZ LYS 11 2HZ LYS 11 -0.579 7.622 23.285 720 3HZ LYS 11 3HZ LYS 11 -1.876 6.968 22.506 721 H TYR 12 H TYR 12 -1.632 2.268 16.696 722 HA TYR 12 HA TYR 12 -1.108 -0.528 16.875 723 1HB TYR 12 1HB TYR 12 -3.330 0.339 16.463 724 2HB TYR 12 2HB TYR 12 -2.826 1.035 14.926 725 HD1 TYR 12 1HD TYR 12 -3.121 -2.233 16.753 726 HD2 TYR 12 2HD TYR 12 -2.875 -0.266 12.928 727 HE1 TYR 12 1HE TYR 12 -3.405 -4.415 15.611 728 HE2 TYR 12 2HE TYR 12 -3.098 -2.465 11.792 729 HH TYR 12 HH TYR 12 -3.508 -5.498 13.616 730 H LEU 13 H LEU 13 -0.580 1.698 14.096 731 HA LEU 13 HA LEU 13 0.714 0.010 12.297 732 1HB LEU 13 1HB LEU 13 0.096 2.280 11.753 733 2HB LEU 13 2HB LEU 13 1.147 2.933 12.991 734 HG LEU 13 HG LEU 13 3.148 2.247 11.739 735 1HD1 LEU 13 1HD1 LEU 13 1.141 1.280 9.654 736 2HD1 LEU 13 2HD1 LEU 13 2.885 1.481 9.385 737 3HD1 LEU 13 3HD1 LEU 13 2.317 0.301 10.565 738 1HD2 LEU 13 1HD2 LEU 13 1.130 3.818 10.078 739 2HD2 LEU 13 2HD2 LEU 13 2.124 4.484 11.389 740 3HD2 LEU 13 3HD2 LEU 13 2.897 3.876 9.915 741 H GLU 14 H GLU 14 2.312 1.949 14.872 742 HA GLU 14 HA GLU 14 4.921 0.917 14.588 743 1HB GLU 14 1HB GLU 14 4.356 2.889 15.878 744 2HB GLU 14 2HB GLU 14 3.466 1.942 17.066 745 1HG GLU 14 1HG GLU 14 6.434 1.478 16.489 746 2HG GLU 14 2HG GLU 14 5.872 2.702 17.631 747 H GLN 15 H GLN 15 2.446 -0.215 16.975 748 HA GLN 15 HA GLN 15 3.993 -2.349 17.997 749 1HB GLN 15 1HB GLN 15 1.001 -1.905 17.820 750 2HB GLN 15 2HB GLN 15 1.715 -3.270 18.695 751 1HG GLN 15 1HG GLN 15 2.880 -1.854 20.237 752 2HG GLN 15 2HG GLN 15 2.521 -0.398 19.302 753 1HE2 GLN 15 1HE2 GLN 15 0.170 0.038 18.925 754 2HE2 GLN 15 2HE2 GLN 15 -0.907 -0.197 20.320 755 H LEU 16 H LEU 16 1.623 -2.421 15.306 756 HA LEU 16 HA LEU 16 1.802 -5.226 14.854 757 1HB LEU 16 1HB LEU 16 0.049 -3.478 14.100 758 2HB LEU 16 2HB LEU 16 1.125 -3.134 12.754 759 HG LEU 16 HG LEU 16 -0.670 -4.598 12.114 760 1HD1 LEU 16 1HD1 LEU 16 0.460 -6.408 11.060 761 2HD1 LEU 16 2HD1 LEU 16 1.616 -5.064 11.129 762 3HD1 LEU 16 3HD1 LEU 16 1.743 -6.419 12.275 763 1HD2 LEU 16 1HD2 LEU 16 0.246 -6.672 14.153 764 2HD2 LEU 16 2HD2 LEU 16 -1.116 -5.562 14.398 765 3HD2 LEU 16 3HD2 LEU 16 -1.155 -6.744 13.075 766 H HIS 17 H HIS 17 3.481 -2.462 13.215 767 HA HIS 17 HA HIS 17 5.146 -4.009 11.524 768 1HB HIS 17 1HB HIS 17 4.810 -1.548 11.436 769 2HB HIS 17 2HB HIS 17 5.783 -1.371 12.895 770 HD1 HIS 17 1HD HIS 17 7.906 -3.741 11.528 771 HD2 HIS 17 2HD HIS 17 6.681 0.087 10.259 772 HE1 HIS 17 1HE HIS 17 9.763 -2.830 10.026 773 H ARG 18 H ARG 18 5.703 -2.938 14.913 774 HA ARG 18 HA ARG 18 8.270 -4.096 15.244 775 1HB ARG 18 1HB ARG 18 7.171 -2.448 16.792 776 2HB ARG 18 2HB ARG 18 6.109 -3.747 17.345 777 1HG ARG 18 1HG ARG 18 8.540 -4.970 17.661 778 2HG ARG 18 2HG ARG 18 9.052 -3.305 17.832 779 1HD ARG 18 1HD ARG 18 7.689 -2.966 19.756 780 2HD ARG 18 2HD ARG 18 6.683 -4.377 19.435 781 HE ARG 18 HE ARG 18 9.238 -4.356 20.803 782 1HH1 ARG 18 1HH1 ARG 18 7.097 -6.399 18.835 783 2HH1 ARG 18 2HH1 ARG 18 7.930 -7.871 19.342 784 1HH2 ARG 18 1HH2 ARG 18 10.233 -6.362 21.392 785 2HH2 ARG 18 2HH2 ARG 18 9.618 -7.844 20.658 786 H LYS 19 H LYS 19 5.021 -5.492 16.008 787 HA LYS 19 HA LYS 19 5.862 -8.020 16.908 788 1HB LYS 19 1HB LYS 19 3.569 -7.130 17.078 789 2HB LYS 19 2HB LYS 19 3.358 -7.309 15.328 790 1HG LYS 19 1HG LYS 19 3.716 -9.766 15.540 791 2HG LYS 19 2HG LYS 19 3.936 -9.576 17.291 792 1HD LYS 19 1HD LYS 19 1.634 -8.615 17.453 793 2HD LYS 19 2HD LYS 19 1.411 -8.855 15.714 794 1HE LYS 19 1HE LYS 19 1.966 -11.071 17.755 795 2HE LYS 19 2HE LYS 19 0.376 -10.668 17.087 796 1HZ LYS 19 1HZ LYS 19 1.224 -11.200 14.910 797 2HZ LYS 19 2HZ LYS 19 2.685 -11.619 15.543 798 3HZ LYS 19 3HZ LYS 19 1.343 -12.489 15.929 799 H LEU 20 H LEU 20 5.116 -6.987 13.528 800 HA LEU 20 HA LEU 20 5.837 -9.495 12.343 801 1HB LEU 20 1HB LEU 20 5.904 -6.690 11.205 802 2HB LEU 20 2HB LEU 20 6.114 -8.167 10.248 803 HG LEU 20 HG LEU 20 3.624 -7.637 11.917 804 1HD1 LEU 20 1HD1 LEU 20 4.260 -7.049 9.009 805 2HD1 LEU 20 2HD1 LEU 20 2.613 -7.042 9.683 806 3HD1 LEU 20 3HD1 LEU 20 3.829 -5.892 10.275 807 1HD2 LEU 20 1HD2 LEU 20 2.641 -9.339 10.363 808 2HD2 LEU 20 2HD2 LEU 20 4.269 -9.663 9.736 809 3HD2 LEU 20 3HD2 LEU 20 3.878 -10.004 11.431 810 H LYS 21 H LYS 21 7.900 -6.575 12.957 811 HA LYS 21 HA LYS 21 10.280 -7.725 11.936 812 1HB LYS 21 1HB LYS 21 10.105 -5.367 12.532 813 2HB LYS 21 2HB LYS 21 9.902 -5.773 14.238 814 1HG LYS 21 1HG LYS 21 12.163 -4.997 13.765 815 2HG LYS 21 2HG LYS 21 12.182 -6.656 14.365 816 1HD LYS 21 1HD LYS 21 12.518 -7.521 12.075 817 2HD LYS 21 2HD LYS 21 12.345 -5.883 11.406 818 1HE LYS 21 1HE LYS 21 14.376 -5.175 12.655 819 2HE LYS 21 2HE LYS 21 14.507 -6.792 13.372 820 1HZ LYS 21 1HZ LYS 21 14.795 -7.679 11.175 821 2HZ LYS 21 2HZ LYS 21 14.673 -6.180 10.503 822 3HZ LYS 21 3HZ LYS 21 15.943 -6.540 11.489 823 H ASN 22 H ASN 22 8.772 -8.084 15.129 824 HA ASN 22 HA ASN 22 10.740 -9.653 16.381 825 1HB ASN 22 1HB ASN 22 8.478 -8.545 17.222 826 2HB ASN 22 2HB ASN 22 7.822 -10.161 16.948 827 1HD2 ASN 22 1HD2 ASN 22 10.027 -11.783 17.811 828 2HD2 ASN 22 2HD2 ASN 22 10.233 -11.451 19.531 829 H CYS 23 H CYS 23 8.674 -10.637 13.697 830 HA CYS 23 HA CYS 23 8.775 -13.477 14.162 831 1HB CYS 23 1HB CYS 23 8.849 -12.049 11.488 832 2HB CYS 23 2HB CYS 23 8.408 -13.730 11.801 833 H LYS 24 H LYS 24 11.189 -11.142 13.223 834 HA LYS 24 HA LYS 24 13.261 -11.120 12.616 835 1HB LYS 24 1HB LYS 24 14.880 -12.635 13.535 836 2HB LYS 24 2HB LYS 24 13.728 -12.019 14.719 837 1HG LYS 24 1HG LYS 24 12.595 -14.130 14.856 838 2HG LYS 24 2HG LYS 24 13.532 -14.803 13.498 839 1HD LYS 24 1HD LYS 24 15.618 -14.516 14.845 840 2HD LYS 24 2HD LYS 24 14.653 -13.904 16.198 841 1HE LYS 24 1HE LYS 24 14.385 -16.679 14.930 842 2HE LYS 24 2HE LYS 24 15.234 -16.318 16.443 843 1HZ LYS 24 1HZ LYS 24 12.368 -15.915 15.951 844 2HZ LYS 24 2HZ LYS 24 13.042 -17.104 16.867 845 3HZ LYS 24 3HZ LYS 24 13.156 -15.530 17.344 846 H VAL 25 H VAL 25 12.097 -14.372 11.672 847 HA VAL 25 HA VAL 25 13.854 -14.685 9.446 848 HB VAL 25 HB VAL 25 12.279 -16.310 8.620 849 1HG1 VAL 25 1HG1 VAL 25 13.736 -16.906 10.547 850 2HG1 VAL 25 2HG1 VAL 25 12.407 -16.508 11.659 851 3HG1 VAL 25 3HG1 VAL 25 12.226 -17.835 10.499 852 1HG2 VAL 25 1HG2 VAL 25 10.312 -15.298 10.723 853 2HG2 VAL 25 2HG2 VAL 25 10.128 -15.180 8.962 854 3HG2 VAL 25 3HG2 VAL 25 10.119 -16.761 9.745 Start of MODEL 8 1 1H GLU 1 1H GLU 1 -7.836 12.604 4.176 2 2H GLU 1 2H GLU 1 -7.356 13.987 4.930 3 3H GLU 1 3H GLU 1 -8.876 13.414 5.159 4 HA GLU 1 HA GLU 1 -7.549 12.958 7.075 5 1HB GLU 1 1HB GLU 1 -8.359 10.548 5.409 6 2HB GLU 1 2HB GLU 1 -7.929 10.458 7.121 7 1HG GLU 1 1HG GLU 1 -10.230 12.180 6.104 8 2HG GLU 1 2HG GLU 1 -10.398 10.517 6.658 9 H ASN 2 H ASN 2 -5.414 13.871 5.683 10 HA ASN 2 HA ASN 2 -3.438 11.749 5.311 11 1HB ASN 2 1HB ASN 2 -3.476 13.976 4.090 12 2HB ASN 2 2HB ASN 2 -2.873 14.726 5.572 13 1HD2 ASN 2 1HD2 ASN 2 -0.912 13.025 6.513 14 2HD2 ASN 2 2HD2 ASN 2 0.204 12.532 5.233 15 H ARG 3 H ARG 3 -4.173 10.889 7.495 16 HA ARG 3 HA ARG 3 -3.097 12.026 9.936 17 1HB ARG 3 1HB ARG 3 -3.590 9.139 9.199 18 2HB ARG 3 2HB ARG 3 -3.485 9.774 10.842 19 1HG ARG 3 1HG ARG 3 -5.547 11.202 10.260 20 2HG ARG 3 2HG ARG 3 -5.706 10.194 8.814 21 1HD ARG 3 1HD ARG 3 -5.853 9.307 11.716 22 2HD ARG 3 2HD ARG 3 -7.115 9.241 10.471 23 HE ARG 3 HE ARG 3 -4.760 7.696 9.744 24 1HH1 ARG 3 1HH1 ARG 3 -7.507 7.462 11.981 25 2HH1 ARG 3 2HH1 ARG 3 -7.548 5.720 11.813 26 1HH2 ARG 3 1HH2 ARG 3 -4.768 5.585 9.699 27 2HH2 ARG 3 2HH2 ARG 3 -6.055 4.602 10.399 28 H GLU 4 H GLU 4 -1.389 10.632 11.214 29 HA GLU 4 HA GLU 4 1.124 10.526 9.896 30 1HB GLU 4 1HB GLU 4 0.719 10.686 12.346 31 2HB GLU 4 2HB GLU 4 0.246 8.976 12.371 32 1HG GLU 4 1HG GLU 4 2.506 8.343 11.538 33 2HG GLU 4 2HG GLU 4 2.947 10.051 11.404 34 H VAL 5 H VAL 5 -1.426 8.101 10.242 35 HA VAL 5 HA VAL 5 -0.412 6.869 7.815 36 HB VAL 5 HB VAL 5 0.557 5.462 9.586 37 1HG1 VAL 5 1HG1 VAL 5 -1.242 5.741 11.325 38 2HG1 VAL 5 2HG1 VAL 5 -2.276 4.656 10.368 39 3HG1 VAL 5 3HG1 VAL 5 -0.759 4.065 11.042 40 1HG2 VAL 5 1HG2 VAL 5 -1.619 4.159 7.926 41 2HG2 VAL 5 2HG2 VAL 5 0.046 4.478 7.417 42 3HG2 VAL 5 3HG2 VAL 5 -0.277 3.289 8.689 43 HA PRO 6 HA PRO 6 -4.575 8.115 7.333 44 1HB PRO 6 1HB PRO 6 -5.163 7.348 4.750 45 2HB PRO 6 2HB PRO 6 -3.975 8.619 5.154 46 1HG PRO 6 1HG PRO 6 -3.408 5.672 4.669 47 2HG PRO 6 2HG PRO 6 -2.685 7.071 3.825 48 1HD PRO 6 1HD PRO 6 -1.410 5.952 5.912 49 2HD PRO 6 2HD PRO 6 -1.509 7.739 5.832 50 HA PRO 7 HA PRO 7 -7.440 4.885 8.343 51 1HB PRO 7 1HB PRO 7 -9.791 5.630 7.126 52 2HB PRO 7 2HB PRO 7 -9.094 6.436 8.560 53 1HG PRO 7 1HG PRO 7 -8.787 7.269 5.661 54 2HG PRO 7 2HG PRO 7 -9.288 8.283 7.048 55 1HD PRO 7 1HD PRO 7 -6.733 8.300 6.212 56 2HD PRO 7 2HD PRO 7 -7.077 8.252 7.963 57 H GLY 8 H GLY 8 -6.849 5.572 4.937 58 1HA GLY 8 1HA GLY 8 -7.784 3.263 3.650 59 2HA GLY 8 2HA GLY 8 -6.255 4.082 3.296 60 H PHE 9 H PHE 9 -4.894 3.627 5.787 61 HA PHE 9 HA PHE 9 -3.949 0.913 5.424 62 1HB PHE 9 1HB PHE 9 -2.413 2.551 6.260 63 2HB PHE 9 2HB PHE 9 -3.512 2.988 7.574 64 HD1 PHE 9 1HD PHE 9 -2.885 2.274 9.696 65 HD2 PHE 9 2HD PHE 9 -2.059 -0.251 6.300 66 HE1 PHE 9 1HE PHE 9 -1.956 0.554 11.203 67 HE2 PHE 9 2HE PHE 9 -1.162 -1.990 7.818 68 HZ PHE 9 HZ PHE 9 -1.076 -1.582 10.272 69 H THR 10 H THR 10 -5.961 2.509 7.976 70 HA THR 10 HA THR 10 -6.482 0.278 9.558 71 HB THR 10 HB THR 10 -8.512 2.453 8.900 72 HG1 THR 10 1HG THR 10 -7.467 3.297 10.920 73 1HG2 THR 10 1HG2 THR 10 -9.332 0.534 10.261 74 2HG2 THR 10 2HG2 THR 10 -8.009 0.809 11.417 75 3HG2 THR 10 3HG2 THR 10 -9.276 2.033 11.188 76 H ALA 11 H ALA 11 -8.358 1.402 6.701 77 HA ALA 11 HA ALA 11 -10.212 -0.751 6.568 78 1HB ALA 11 1HB ALA 11 -9.055 0.960 4.326 79 2HB ALA 11 2HB ALA 11 -10.522 -0.033 4.233 80 3HB ALA 11 3HB ALA 11 -10.461 1.358 5.333 81 H LEU 12 H LEU 12 -7.071 -0.359 4.845 82 HA LEU 12 HA LEU 12 -7.012 -2.805 3.483 83 1HB LEU 12 1HB LEU 12 -5.523 -0.876 3.189 84 2HB LEU 12 2HB LEU 12 -4.669 -1.258 4.683 85 HG LEU 12 HG LEU 12 -4.869 -3.196 2.345 86 1HD1 LEU 12 1HD1 LEU 12 -2.740 -1.094 2.887 87 2HD1 LEU 12 2HD1 LEU 12 -2.675 -2.332 1.616 88 3HD1 LEU 12 3HD1 LEU 12 -3.911 -1.073 1.549 89 1HD2 LEU 12 1HD2 LEU 12 -4.015 -4.306 4.371 90 2HD2 LEU 12 2HD2 LEU 12 -2.658 -4.004 3.298 91 3HD2 LEU 12 3HD2 LEU 12 -2.920 -2.943 4.694 92 H ILE 13 H ILE 13 -5.564 -2.169 6.748 93 HA ILE 13 HA ILE 13 -4.866 -4.922 6.993 94 HB ILE 13 HB ILE 13 -3.702 -2.988 8.096 95 1HG1 ILE 13 1HG1 ILE 13 -3.207 -4.317 10.197 96 2HG1 ILE 13 2HG1 ILE 13 -4.419 -5.486 9.693 97 1HG2 ILE 13 1HG2 ILE 13 -5.817 -3.303 10.264 98 2HG2 ILE 13 2HG2 ILE 13 -4.440 -2.185 10.228 99 3HG2 ILE 13 3HG2 ILE 13 -5.768 -1.968 9.093 100 1HD1 ILE 13 1HD1 ILE 13 -3.054 -5.913 7.620 101 2HD1 ILE 13 2HD1 ILE 13 -1.904 -4.670 8.152 102 3HD1 ILE 13 3HD1 ILE 13 -2.119 -6.158 9.094 103 H LYS 14 H LYS 14 -7.769 -3.140 8.168 104 HA LYS 14 HA LYS 14 -8.942 -5.391 9.517 105 1HB LYS 14 1HB LYS 14 -10.134 -3.029 8.030 106 2HB LYS 14 2HB LYS 14 -11.124 -4.284 8.793 107 1HG LYS 14 1HG LYS 14 -10.107 -3.870 10.974 108 2HG LYS 14 2HG LYS 14 -9.029 -2.646 10.280 109 1HD LYS 14 1HD LYS 14 -10.963 -1.263 9.636 110 2HD LYS 14 2HD LYS 14 -12.085 -2.505 10.222 111 1HE LYS 14 1HE LYS 14 -11.230 -2.255 12.521 112 2HE LYS 14 2HE LYS 14 -10.036 -1.066 11.978 113 1HZ LYS 14 1HZ LYS 14 -11.849 0.348 11.308 114 2HZ LYS 14 2HZ LYS 14 -12.955 -0.763 11.816 115 3HZ LYS 14 3HZ LYS 14 -11.967 -0.027 12.910 116 H THR 15 H THR 15 -8.905 -4.481 6.046 117 HA THR 15 HA THR 15 -10.471 -6.723 5.172 118 HB THR 15 HB THR 15 -8.384 -5.240 3.547 119 HG1 THR 15 1HG THR 15 -9.932 -3.812 4.414 120 1HG2 THR 15 1HG2 THR 15 -9.772 -5.895 1.698 121 2HG2 THR 15 2HG2 THR 15 -9.302 -7.377 2.555 122 3HG2 THR 15 3HG2 THR 15 -10.935 -6.713 2.762 123 H LEU 16 H LEU 16 -6.921 -6.362 5.577 124 HA LEU 16 HA LEU 16 -6.248 -8.999 4.758 125 1HB LEU 16 1HB LEU 16 -4.724 -7.066 5.115 126 2HB LEU 16 2HB LEU 16 -4.838 -7.308 6.858 127 HG LEU 16 HG LEU 16 -4.050 -9.668 5.137 128 1HD1 LEU 16 1HD1 LEU 16 -1.694 -8.946 5.138 129 2HD1 LEU 16 2HD1 LEU 16 -2.705 -7.838 4.199 130 3HD1 LEU 16 3HD1 LEU 16 -2.163 -7.376 5.826 131 1HD2 LEU 16 1HD2 LEU 16 -4.261 -9.912 7.620 132 2HD2 LEU 16 2HD2 LEU 16 -2.598 -10.160 7.070 133 3HD2 LEU 16 3HD2 LEU 16 -3.059 -8.629 7.839 134 H ARG 17 H ARG 17 -7.128 -7.776 8.029 135 HA ARG 17 HA ARG 17 -7.088 -10.278 9.380 136 1HB ARG 17 1HB ARG 17 -7.225 -8.273 10.608 137 2HB ARG 17 2HB ARG 17 -8.717 -7.756 9.826 138 1HG ARG 17 1HG ARG 17 -8.752 -10.394 11.294 139 2HG ARG 17 2HG ARG 17 -8.685 -8.915 12.249 140 1HD ARG 17 1HD ARG 17 -10.692 -8.034 11.334 141 2HD ARG 17 2HD ARG 17 -10.801 -9.250 10.075 142 HE ARG 17 HE ARG 17 -11.585 -9.518 12.865 143 1HH1 ARG 17 1HH1 ARG 17 -10.489 -11.478 10.074 144 2HH1 ARG 17 2HH1 ARG 17 -11.545 -12.795 10.524 145 1HH2 ARG 17 1HH2 ARG 17 -12.763 -11.370 13.429 146 2HH2 ARG 17 2HH2 ARG 17 -12.695 -12.788 12.400 147 H LYS 18 H LYS 18 -9.732 -8.800 7.395 148 HA LYS 18 HA LYS 18 -11.492 -11.050 7.742 149 1HB LYS 18 1HB LYS 18 -11.342 -8.934 5.583 150 2HB LYS 18 2HB LYS 18 -12.556 -10.213 5.610 151 1HG LYS 18 1HG LYS 18 -13.208 -9.542 7.927 152 2HG LYS 18 2HG LYS 18 -12.117 -8.166 7.827 153 1HD LYS 18 1HD LYS 18 -14.482 -8.730 5.960 154 2HD LYS 18 2HD LYS 18 -14.532 -7.633 7.341 155 1HE LYS 18 1HE LYS 18 -12.772 -7.282 4.870 156 2HE LYS 18 2HE LYS 18 -14.261 -6.406 5.223 157 1HZ LYS 18 1HZ LYS 18 -13.240 -5.505 7.172 158 2HZ LYS 18 2HZ LYS 18 -11.842 -6.326 6.879 159 3HZ LYS 18 3HZ LYS 18 -12.337 -5.148 5.838 160 H CYS 19 H CYS 19 -9.060 -10.457 5.127 161 HA CYS 19 HA CYS 19 -9.345 -12.861 3.696 162 1HB CYS 19 1HB CYS 19 -6.780 -11.419 4.452 163 2HB CYS 19 2HB CYS 19 -6.878 -12.689 3.254 164 H LYS 20 H LYS 20 -7.447 -12.324 6.700 165 HA LYS 20 HA LYS 20 -6.524 -15.025 6.961 166 1HB LYS 20 1HB LYS 20 -6.891 -12.790 8.987 167 2HB LYS 20 2HB LYS 20 -6.165 -14.358 9.361 168 1HG LYS 20 1HG LYS 20 -4.385 -14.015 7.732 169 2HG LYS 20 2HG LYS 20 -5.118 -12.502 7.192 170 1HD LYS 20 1HD LYS 20 -3.261 -12.026 8.692 171 2HD LYS 20 2HD LYS 20 -4.783 -11.505 9.436 172 1HE LYS 20 1HE LYS 20 -4.798 -13.479 10.893 173 2HE LYS 20 2HE LYS 20 -3.393 -14.157 10.048 174 1HZ LYS 20 1HZ LYS 20 -2.124 -12.284 10.821 175 2HZ LYS 20 2HZ LYS 20 -3.440 -11.658 11.591 176 3HZ LYS 20 3HZ LYS 20 -2.795 -13.090 12.092 177 H ILE 21 H ILE 21 -9.750 -13.908 7.369 178 HA ILE 21 HA ILE 21 -11.621 -14.828 8.149 179 HB ILE 21 HB ILE 21 -10.137 -17.416 8.727 180 1HG1 ILE 21 1HG1 ILE 21 -9.692 -16.884 6.400 181 2HG1 ILE 21 2HG1 ILE 21 -10.846 -18.200 6.531 182 1HG2 ILE 21 1HG2 ILE 21 -12.377 -18.411 8.361 183 2HG2 ILE 21 2HG2 ILE 21 -12.305 -17.346 9.769 184 3HG2 ILE 21 3HG2 ILE 21 -13.071 -16.777 8.276 185 1HD1 ILE 21 1HD1 ILE 21 -11.471 -16.666 4.742 186 2HD1 ILE 21 2HD1 ILE 21 -12.710 -16.631 6.006 187 3HD1 ILE 21 3HD1 ILE 21 -11.532 -15.304 5.865 188 H ILE 22 H ILE 22 -9.016 -15.981 10.326 189 HA ILE 22 HA ILE 22 -10.556 -15.323 12.724 190 HB ILE 22 HB ILE 22 -8.935 -17.191 12.616 191 1HG1 ILE 22 1HG1 ILE 22 -8.244 -15.100 14.730 192 2HG1 ILE 22 2HG1 ILE 22 -9.692 -16.119 14.741 193 1HG2 ILE 22 1HG2 ILE 22 -6.547 -16.837 12.685 194 2HG2 ILE 22 2HG2 ILE 22 -7.153 -15.979 11.274 195 3HG2 ILE 22 3HG2 ILE 22 -6.736 -15.076 12.742 196 1HD1 ILE 22 1HD1 ILE 22 -6.813 -17.088 14.933 197 2HD1 ILE 22 2HD1 ILE 22 -8.049 -17.100 16.199 198 3HD1 ILE 22 3HD1 ILE 22 -8.234 -18.151 14.781 199 1H ASN 1 1H ASN 1 11.732 11.235 -6.899 200 2H ASN 1 2H ASN 1 11.817 12.649 -6.060 201 3H ASN 1 3H ASN 1 12.490 12.537 -7.559 202 HA ASN 1 HA ASN 1 10.468 13.758 -7.678 203 1HB ASN 1 1HB ASN 1 11.206 12.484 -9.585 204 2HB ASN 1 2HB ASN 1 10.385 11.037 -9.011 205 1HD2 ASN 1 1HD2 ASN 1 9.926 12.174 -11.585 206 2HD2 ASN 1 2HD2 ASN 1 8.293 12.827 -11.600 207 H LEU 2 H LEU 2 9.524 14.010 -5.663 208 HA LEU 2 HA LEU 2 8.094 12.205 -4.146 209 1HB LEU 2 1HB LEU 2 8.793 14.469 -3.510 210 2HB LEU 2 2HB LEU 2 7.566 15.183 -4.549 211 HG LEU 2 HG LEU 2 7.152 15.144 -2.071 212 1HD1 LEU 2 1HD1 LEU 2 4.902 13.793 -3.599 213 2HD1 LEU 2 2HD1 LEU 2 4.808 14.821 -2.169 214 3HD1 LEU 2 3HD1 LEU 2 5.323 15.515 -3.715 215 1HD2 LEU 2 1HD2 LEU 2 7.951 12.830 -1.623 216 2HD2 LEU 2 2HD2 LEU 2 6.345 13.170 -0.956 217 3HD2 LEU 2 3HD2 LEU 2 6.496 12.194 -2.425 218 H VAL 3 H VAL 3 6.851 14.078 -6.942 219 HA VAL 3 HA VAL 3 4.106 13.351 -6.641 220 HB VAL 3 HB VAL 3 5.662 14.063 -9.163 221 1HG1 VAL 3 1HG1 VAL 3 3.426 14.707 -10.048 222 2HG1 VAL 3 2HG1 VAL 3 3.530 12.971 -9.746 223 3HG1 VAL 3 3HG1 VAL 3 2.662 14.018 -8.602 224 1HG2 VAL 3 1HG2 VAL 3 5.762 15.861 -7.465 225 2HG2 VAL 3 2HG2 VAL 3 4.693 16.319 -8.793 226 3HG2 VAL 3 3HG2 VAL 3 4.001 15.771 -7.254 227 H SER 4 H SER 4 6.666 11.862 -8.695 228 HA SER 4 HA SER 4 5.085 9.691 -9.628 229 1HB SER 4 1HB SER 4 7.084 8.627 -10.311 230 2HB SER 4 2HB SER 4 7.264 10.363 -10.589 231 HG SER 4 HG SER 4 8.345 10.285 -8.383 232 H GLY 5 H GLY 5 7.236 9.902 -6.764 233 1HA GLY 5 1HA GLY 5 6.885 7.365 -5.621 234 2HA GLY 5 2HA GLY 5 7.117 8.875 -4.721 235 H LEU 6 H LEU 6 4.942 10.307 -4.961 236 HA LEU 6 HA LEU 6 2.988 9.215 -3.301 237 1HB LEU 6 1HB LEU 6 3.308 11.591 -3.560 238 2HB LEU 6 2HB LEU 6 2.855 11.519 -5.263 239 HG LEU 6 HG LEU 6 0.537 10.877 -4.644 240 1HD1 LEU 6 1HD1 LEU 6 0.937 9.778 -2.456 241 2HD1 LEU 6 2HD1 LEU 6 1.495 11.329 -1.781 242 3HD1 LEU 6 3HD1 LEU 6 -0.193 11.125 -2.286 243 1HD2 LEU 6 1HD2 LEU 6 1.161 13.235 -4.997 244 2HD2 LEU 6 2HD2 LEU 6 -0.103 13.081 -3.765 245 3HD2 LEU 6 3HD2 LEU 6 1.577 13.389 -3.276 246 H ILE 7 H ILE 7 2.624 9.731 -6.879 247 HA ILE 7 HA ILE 7 0.086 8.397 -6.856 248 HB ILE 7 HB ILE 7 0.111 8.408 -9.237 249 1HG1 ILE 7 1HG1 ILE 7 3.033 9.176 -9.029 250 2HG1 ILE 7 2HG1 ILE 7 2.368 7.712 -9.763 251 1HG2 ILE 7 1HG2 ILE 7 1.326 11.008 -8.218 252 2HG2 ILE 7 2HG2 ILE 7 0.174 10.792 -9.550 253 3HG2 ILE 7 3HG2 ILE 7 -0.336 10.484 -7.890 254 1HD1 ILE 7 1HD1 ILE 7 1.201 9.141 -11.462 255 2HD1 ILE 7 2HD1 ILE 7 2.083 10.548 -10.813 256 3HD1 ILE 7 3HD1 ILE 7 2.974 9.200 -11.531 257 H GLU 8 H GLU 8 3.364 7.060 -7.559 258 HA GLU 8 HA GLU 8 2.371 4.483 -8.283 259 1HB GLU 8 1HB GLU 8 4.632 5.354 -8.816 260 2HB GLU 8 2HB GLU 8 5.074 5.256 -7.107 261 1HG GLU 8 1HG GLU 8 5.917 3.304 -8.355 262 2HG GLU 8 2HG GLU 8 4.731 2.782 -7.158 263 H ALA 9 H ALA 9 3.535 5.747 -5.123 264 HA ALA 9 HA ALA 9 3.120 3.365 -3.614 265 1HB ALA 9 1HB ALA 9 4.453 5.289 -2.851 266 2HB ALA 9 2HB ALA 9 2.974 6.272 -2.764 267 3HB ALA 9 3HB ALA 9 3.190 4.878 -1.679 268 H ARG 10 H ARG 10 0.919 6.142 -4.276 269 HA ARG 10 HA ARG 10 -1.291 5.172 -2.766 270 1HB ARG 10 1HB ARG 10 -0.942 7.483 -3.658 271 2HB ARG 10 2HB ARG 10 -1.374 6.898 -5.276 272 1HG ARG 10 1HG ARG 10 -3.619 6.199 -4.366 273 2HG ARG 10 2HG ARG 10 -3.110 6.758 -2.768 274 1HD ARG 10 1HD ARG 10 -2.666 9.067 -3.970 275 2HD ARG 10 2HD ARG 10 -3.623 8.389 -5.281 276 HE ARG 10 HE ARG 10 -5.541 8.681 -4.018 277 1HH1 ARG 10 1HH1 ARG 10 -2.771 8.810 -1.843 278 2HH1 ARG 10 2HH1 ARG 10 -3.717 9.394 -0.482 279 1HH2 ARG 10 1HH2 ARG 10 -6.741 9.413 -2.229 280 2HH2 ARG 10 2HH2 ARG 10 -5.939 9.713 -0.701 281 H LYS 11 H LYS 11 -0.501 4.766 -6.253 282 HA LYS 11 HA LYS 11 -2.620 3.073 -7.018 283 1HB LYS 11 1HB LYS 11 -1.111 4.070 -8.606 284 2HB LYS 11 2HB LYS 11 0.278 3.225 -7.917 285 1HG LYS 11 1HG LYS 11 -0.627 1.055 -8.627 286 2HG LYS 11 2HG LYS 11 -2.066 1.858 -9.299 287 1HD LYS 11 1HD LYS 11 -0.652 3.129 -10.866 288 2HD LYS 11 2HD LYS 11 0.819 2.455 -10.151 289 1HE LYS 11 1HE LYS 11 -1.345 0.787 -11.523 290 2HE LYS 11 2HE LYS 11 0.140 1.356 -12.302 291 1HZ LYS 11 1HZ LYS 11 1.400 0.158 -10.662 292 2HZ LYS 11 2HZ LYS 11 0.024 -0.422 -9.971 293 3HZ LYS 11 3HZ LYS 11 0.415 -0.853 -11.513 294 H TYR 12 H TYR 12 0.627 2.100 -5.749 295 HA TYR 12 HA TYR 12 0.129 -0.669 -5.556 296 1HB TYR 12 1HB TYR 12 2.342 0.261 -5.309 297 2HB TYR 12 2HB TYR 12 1.871 1.158 -3.871 298 HD1 TYR 12 1HD TYR 12 2.358 -2.292 -5.223 299 HD2 TYR 12 2HD TYR 12 1.847 0.127 -1.691 300 HE1 TYR 12 1HE TYR 12 2.829 -4.270 -3.787 301 HE2 TYR 12 2HE TYR 12 2.296 -1.854 -0.271 302 HH TYR 12 HH TYR 12 2.785 -4.066 -0.232 303 H LEU 13 H LEU 13 -0.357 1.817 -2.995 304 HA LEU 13 HA LEU 13 -1.388 0.153 -0.997 305 1HB LEU 13 1HB LEU 13 -0.755 2.519 -0.666 306 2HB LEU 13 2HB LEU 13 -2.103 3.032 -1.681 307 HG LEU 13 HG LEU 13 -3.690 1.977 0.012 308 1HD1 LEU 13 1HD1 LEU 13 -1.161 1.908 1.721 309 2HD1 LEU 13 2HD1 LEU 13 -2.814 1.571 2.276 310 3HD1 LEU 13 3HD1 LEU 13 -2.028 0.477 1.128 311 1HD2 LEU 13 1HD2 LEU 13 -3.238 4.408 -0.086 312 2HD2 LEU 13 2HD2 LEU 13 -3.526 3.847 1.571 313 3HD2 LEU 13 3HD2 LEU 13 -1.872 4.188 1.029 314 H GLU 14 H GLU 14 -3.273 1.988 -3.466 315 HA GLU 14 HA GLU 14 -5.788 0.930 -2.699 316 1HB GLU 14 1HB GLU 14 -5.462 2.988 -4.016 317 2HB GLU 14 2HB GLU 14 -4.903 2.032 -5.395 318 1HG GLU 14 1HG GLU 14 -7.281 2.680 -5.640 319 2HG GLU 14 2HG GLU 14 -7.128 0.925 -5.550 320 H GLN 15 H GLN 15 -3.482 -0.183 -5.225 321 HA GLN 15 HA GLN 15 -5.017 -2.322 -6.255 322 1HB GLN 15 1HB GLN 15 -2.925 -1.429 -7.241 323 2HB GLN 15 2HB GLN 15 -1.994 -2.156 -5.920 324 1HG GLN 15 1HG GLN 15 -2.878 -4.420 -6.613 325 2HG GLN 15 2HG GLN 15 -3.697 -3.640 -7.978 326 1HE2 GLN 15 1HE2 GLN 15 -2.019 -2.102 -9.275 327 2HE2 GLN 15 2HE2 GLN 15 -0.520 -2.957 -9.642 328 H LEU 16 H LEU 16 -2.632 -2.344 -3.555 329 HA LEU 16 HA LEU 16 -2.980 -5.063 -2.846 330 1HB LEU 16 1HB LEU 16 -1.074 -3.717 -2.154 331 2HB LEU 16 2HB LEU 16 -2.115 -2.657 -1.199 332 HG LEU 16 HG LEU 16 -2.639 -4.489 0.348 333 1HD1 LEU 16 1HD1 LEU 16 -1.367 -6.644 0.194 334 2HD1 LEU 16 2HD1 LEU 16 -2.532 -6.459 -1.118 335 3HD1 LEU 16 3HD1 LEU 16 -0.805 -6.172 -1.423 336 1HD2 LEU 16 1HD2 LEU 16 -0.435 -4.699 1.371 337 2HD2 LEU 16 2HD2 LEU 16 0.352 -4.286 -0.167 338 3HD2 LEU 16 3HD2 LEU 16 -0.609 -3.068 0.692 339 H HIS 17 H HIS 17 -4.513 -2.135 -1.431 340 HA HIS 17 HA HIS 17 -6.312 -3.270 0.394 341 1HB HIS 17 1HB HIS 17 -5.922 -0.911 0.213 342 2HB HIS 17 2HB HIS 17 -6.441 -0.885 -1.464 343 HD1 HIS 17 1HD HIS 17 -8.811 -0.105 -1.895 344 HD2 HIS 17 2HD HIS 17 -7.984 -1.200 2.080 345 HE1 HIS 17 1HE HIS 17 -10.789 0.685 -0.489 346 H ARG 18 H ARG 18 -6.982 -2.600 -3.082 347 HA ARG 18 HA ARG 18 -9.555 -3.804 -3.102 348 1HB ARG 18 1HB ARG 18 -8.580 -2.129 -4.711 349 2HB ARG 18 2HB ARG 18 -7.643 -3.438 -5.425 350 1HG ARG 18 1HG ARG 18 -10.374 -4.353 -5.310 351 2HG ARG 18 2HG ARG 18 -10.440 -2.659 -5.808 352 1HD ARG 18 1HD ARG 18 -10.294 -4.000 -7.785 353 2HD ARG 18 2HD ARG 18 -8.740 -3.195 -7.614 354 HE ARG 18 HE ARG 18 -9.412 -6.067 -6.959 355 1HH1 ARG 18 1HH1 ARG 18 -6.787 -3.760 -7.557 356 2HH1 ARG 18 2HH1 ARG 18 -5.598 -5.039 -7.658 357 1HH2 ARG 18 1HH2 ARG 18 -7.983 -7.562 -7.106 358 2HH2 ARG 18 2HH2 ARG 18 -6.280 -7.261 -7.466 359 H LYS 19 H LYS 19 -6.359 -5.160 -4.065 360 HA LYS 19 HA LYS 19 -7.181 -7.758 -4.810 361 1HB LYS 19 1HB LYS 19 -4.939 -6.746 -5.129 362 2HB LYS 19 2HB LYS 19 -4.628 -6.904 -3.391 363 1HG LYS 19 1HG LYS 19 -5.019 -9.425 -3.682 364 2HG LYS 19 2HG LYS 19 -5.035 -9.141 -5.423 365 1HD LYS 19 1HD LYS 19 -2.769 -8.574 -3.445 366 2HD LYS 19 2HD LYS 19 -2.803 -9.860 -4.653 367 1HE LYS 19 1HE LYS 19 -2.647 -6.853 -5.206 368 2HE LYS 19 2HE LYS 19 -1.348 -8.033 -5.382 369 1HZ LYS 19 1HZ LYS 19 -2.357 -7.555 -7.470 370 2HZ LYS 19 2HZ LYS 19 -2.631 -9.130 -7.069 371 3HZ LYS 19 3HZ LYS 19 -3.841 -8.023 -6.924 372 H LEU 20 H LEU 20 -6.288 -6.532 -1.545 373 HA LEU 20 HA LEU 20 -6.881 -8.976 -0.176 374 1HB LEU 20 1HB LEU 20 -6.861 -6.092 0.754 375 2HB LEU 20 2HB LEU 20 -7.085 -7.461 1.846 376 HG LEU 20 HG LEU 20 -4.642 -7.263 0.044 377 1HD1 LEU 20 1HD1 LEU 20 -4.724 -5.251 1.404 378 2HD1 LEU 20 2HD1 LEU 20 -5.034 -6.201 2.872 379 3HD1 LEU 20 3HD1 LEU 20 -3.470 -6.335 2.033 380 1HD2 LEU 20 1HD2 LEU 20 -5.070 -9.501 1.023 381 2HD2 LEU 20 2HD2 LEU 20 -3.648 -8.746 1.748 382 3HD2 LEU 20 3HD2 LEU 20 -5.181 -8.772 2.638 383 H LYS 21 H LYS 21 -9.039 -6.133 -0.922 384 HA LYS 21 HA LYS 21 -11.351 -7.297 0.285 385 1HB LYS 21 1HB LYS 21 -11.126 -5.471 -2.137 386 2HB LYS 21 2HB LYS 21 -12.655 -6.027 -1.453 387 1HG LYS 21 1HG LYS 21 -11.972 -5.127 0.775 388 2HG LYS 21 2HG LYS 21 -10.528 -4.426 0.019 389 1HD LYS 21 1HD LYS 21 -11.957 -3.105 -1.507 390 2HD LYS 21 2HD LYS 21 -13.417 -3.799 -0.781 391 1HE LYS 21 1HE LYS 21 -11.304 -2.208 0.745 392 2HE LYS 21 2HE LYS 21 -12.817 -1.519 0.124 393 1HZ LYS 21 1HZ LYS 21 -13.989 -3.101 1.518 394 2HZ LYS 21 2HZ LYS 21 -12.558 -3.650 2.131 395 3HZ LYS 21 3HZ LYS 21 -13.024 -2.096 2.402 396 H ASN 22 H ASN 22 -10.039 -7.849 -2.991 397 HA ASN 22 HA ASN 22 -12.001 -9.763 -3.790 398 1HB ASN 22 1HB ASN 22 -9.113 -9.631 -4.703 399 2HB ASN 22 2HB ASN 22 -10.454 -10.428 -5.522 400 1HD2 ASN 22 1HD2 ASN 22 -12.361 -8.086 -4.865 401 2HD2 ASN 22 2HD2 ASN 22 -11.845 -6.891 -6.045 402 H CYS 23 H CYS 23 -9.849 -10.292 -1.187 403 HA CYS 23 HA CYS 23 -9.634 -13.142 -1.301 404 1HB CYS 23 1HB CYS 23 -10.242 -11.237 0.985 405 2HB CYS 23 2HB CYS 23 -9.892 -12.949 1.208 406 H LYS 24 H LYS 24 -12.380 -10.989 -0.622 407 HA LYS 24 HA LYS 24 -14.281 -13.290 -0.717 408 1HB LYS 24 1HB LYS 24 -14.054 -11.397 1.655 409 2HB LYS 24 2HB LYS 24 -15.346 -12.583 1.393 410 1HG LYS 24 1HG LYS 24 -13.573 -14.393 1.325 411 2HG LYS 24 2HG LYS 24 -12.394 -13.189 1.857 412 1HD LYS 24 1HD LYS 24 -14.886 -14.040 3.398 413 2HD LYS 24 2HD LYS 24 -13.217 -14.543 3.718 414 1HE LYS 24 1HE LYS 24 -12.630 -12.078 4.023 415 2HE LYS 24 2HE LYS 24 -14.373 -11.738 3.989 416 1HZ LYS 24 1HZ LYS 24 -14.573 -13.324 5.837 417 2HZ LYS 24 2HZ LYS 24 -12.924 -13.431 5.899 418 3HZ LYS 24 3HZ LYS 24 -13.666 -11.999 6.211 419 H VAL 25 H VAL 25 -13.835 -9.771 -0.699 420 HA VAL 25 HA VAL 25 -16.463 -9.401 -2.064 421 HB VAL 25 HB VAL 25 -16.786 -7.354 -0.698 422 1HG1 VAL 25 1HG1 VAL 25 -16.574 -9.872 0.994 423 2HG1 VAL 25 2HG1 VAL 25 -17.595 -8.457 1.294 424 3HG1 VAL 25 3HG1 VAL 25 -17.905 -9.484 -0.116 425 1HG2 VAL 25 1HG2 VAL 25 -14.406 -6.983 0.035 426 2HG2 VAL 25 2HG2 VAL 25 -15.548 -7.021 1.383 427 3HG2 VAL 25 3HG2 VAL 25 -14.520 -8.425 1.060 428 1H GLU 1 1H GLU 1 7.169 5.297 2.531 429 2H GLU 1 2H GLU 1 5.971 6.420 2.584 430 3H GLU 1 3H GLU 1 7.494 6.817 3.108 431 HA GLU 1 HA GLU 1 8.374 6.574 0.938 432 1HB GLU 1 1HB GLU 1 6.597 4.787 0.451 433 2HB GLU 1 2HB GLU 1 5.535 6.098 -0.048 434 1HG GLU 1 1HG GLU 1 8.319 5.469 -1.195 435 2HG GLU 1 2HG GLU 1 6.793 4.956 -1.916 436 H ASN 2 H ASN 2 5.227 8.057 1.780 437 HA ASN 2 HA ASN 2 6.234 10.747 1.169 438 1HB ASN 2 1HB ASN 2 4.493 11.237 -0.502 439 2HB ASN 2 2HB ASN 2 5.498 9.910 -1.053 440 1HD2 ASN 2 1HD2 ASN 2 4.488 7.933 -1.517 441 2HD2 ASN 2 2HD2 ASN 2 2.779 7.642 -1.187 442 H ARG 3 H ARG 3 4.096 12.249 1.254 443 HA ARG 3 HA ARG 3 3.307 12.497 3.904 444 1HB ARG 3 1HB ARG 3 1.942 13.434 1.351 445 2HB ARG 3 2HB ARG 3 1.539 14.019 2.970 446 1HG ARG 3 1HG ARG 3 3.760 14.926 3.302 447 2HG ARG 3 2HG ARG 3 4.342 14.272 1.764 448 1HD ARG 3 1HD ARG 3 2.073 16.283 2.021 449 2HD ARG 3 2HD ARG 3 3.765 16.694 1.664 450 HE ARG 3 HE ARG 3 2.955 14.727 -0.201 451 1HH1 ARG 3 1HH1 ARG 3 2.216 18.080 0.556 452 2HH1 ARG 3 2HH1 ARG 3 1.776 18.492 -1.086 453 1HH2 ARG 3 1HH2 ARG 3 2.391 15.254 -2.314 454 2HH2 ARG 3 2HH2 ARG 3 1.872 16.872 -2.720 455 H GLU 4 H GLU 4 1.496 10.832 1.295 456 HA GLU 4 HA GLU 4 -0.780 10.233 3.091 457 1HB GLU 4 1HB GLU 4 -0.176 9.885 0.144 458 2HB GLU 4 2HB GLU 4 -1.489 8.975 0.892 459 1HG GLU 4 1HG GLU 4 -1.308 11.996 1.213 460 2HG GLU 4 2HG GLU 4 -2.076 11.252 -0.190 461 H VAL 5 H VAL 5 1.802 8.475 1.352 462 HA VAL 5 HA VAL 5 1.061 5.970 2.825 463 HB VAL 5 HB VAL 5 2.812 6.189 0.377 464 1HG1 VAL 5 1HG1 VAL 5 3.116 4.160 1.721 465 2HG1 VAL 5 2HG1 VAL 5 1.356 3.882 1.734 466 3HG1 VAL 5 3HG1 VAL 5 2.268 3.772 0.219 467 1HG2 VAL 5 1HG2 VAL 5 0.764 5.320 -0.824 468 2HG2 VAL 5 2HG2 VAL 5 -0.185 5.720 0.618 469 3HG2 VAL 5 3HG2 VAL 5 0.624 7.003 -0.304 470 HA PRO 6 HA PRO 6 4.582 7.827 4.870 471 1HB PRO 6 1HB PRO 6 4.363 6.855 7.433 472 2HB PRO 6 2HB PRO 6 3.241 8.052 6.729 473 1HG PRO 6 1HG PRO 6 2.877 5.039 6.795 474 2HG PRO 6 2HG PRO 6 1.758 6.276 7.408 475 1HD PRO 6 1HD PRO 6 1.410 5.282 4.938 476 2HD PRO 6 2HD PRO 6 1.266 7.045 5.217 477 HA PRO 7 HA PRO 7 8.132 5.042 5.001 478 1HB PRO 7 1HB PRO 7 8.566 6.366 7.696 479 2HB PRO 7 2HB PRO 7 9.776 5.965 6.442 480 1HG PRO 7 1HG PRO 7 8.838 8.494 6.620 481 2HG PRO 7 2HG PRO 7 8.949 7.717 5.013 482 1HD PRO 7 1HD PRO 7 6.500 8.046 6.759 483 2HD PRO 7 2HD PRO 7 6.700 8.318 5.001 484 H GLY 8 H GLY 8 6.316 5.422 8.101 485 1HA GLY 8 1HA GLY 8 6.893 2.966 9.307 486 2HA GLY 8 2HA GLY 8 5.379 3.859 9.505 487 H PHE 9 H PHE 9 4.330 3.659 6.896 488 HA PHE 9 HA PHE 9 3.203 0.970 6.923 489 1HB PHE 9 1HB PHE 9 1.828 2.831 6.240 490 2HB PHE 9 2HB PHE 9 2.961 3.271 4.960 491 HD1 PHE 9 1HD PHE 9 3.007 2.095 2.845 492 HD2 PHE 9 2HD PHE 9 0.548 0.644 6.070 493 HE1 PHE 9 1HE PHE 9 1.789 0.638 1.254 494 HE2 PHE 9 2HE PHE 9 -0.585 -0.912 4.489 495 HZ PHE 9 HZ PHE 9 -0.005 -0.873 2.077 496 H THR 10 H THR 10 5.490 2.763 4.863 497 HA THR 10 HA THR 10 6.016 0.773 2.920 498 HB THR 10 HB THR 10 8.095 2.698 4.054 499 HG1 THR 10 1HG THR 10 6.137 3.820 3.548 500 1HG2 THR 10 1HG2 THR 10 8.931 1.072 2.376 501 2HG2 THR 10 2HG2 THR 10 7.634 1.570 1.263 502 3HG2 THR 10 3HG2 THR 10 8.895 2.725 1.731 503 H ALA 11 H ALA 11 7.685 1.384 6.010 504 HA ALA 11 HA ALA 11 9.447 -0.849 5.970 505 1HB ALA 11 1HB ALA 11 8.364 0.731 8.335 506 2HB ALA 11 2HB ALA 11 9.828 -0.283 8.301 507 3HB ALA 11 3HB ALA 11 9.753 1.194 7.329 508 H LEU 12 H LEU 12 6.195 -0.433 7.539 509 HA LEU 12 HA LEU 12 5.915 -3.007 8.593 510 1HB LEU 12 1HB LEU 12 4.237 -1.285 8.976 511 2HB LEU 12 2HB LEU 12 3.841 -1.241 7.258 512 HG LEU 12 HG LEU 12 3.089 -3.673 7.424 513 1HD1 LEU 12 1HD1 LEU 12 3.255 -3.079 10.411 514 2HD1 LEU 12 2HD1 LEU 12 2.497 -4.491 9.649 515 3HD1 LEU 12 3HD1 LEU 12 4.247 -4.272 9.537 516 1HD2 LEU 12 1HD2 LEU 12 0.936 -3.131 8.320 517 2HD2 LEU 12 2HD2 LEU 12 1.569 -1.671 9.102 518 3HD2 LEU 12 3HD2 LEU 12 1.528 -1.786 7.330 519 H ILE 13 H ILE 13 5.004 -1.978 5.241 520 HA ILE 13 HA ILE 13 4.289 -4.556 4.313 521 HB ILE 13 HB ILE 13 5.356 -2.106 2.886 522 1HG1 ILE 13 1HG1 ILE 13 3.110 -1.901 3.937 523 2HG1 ILE 13 2HG1 ILE 13 3.109 -1.727 2.186 524 1HG2 ILE 13 1HG2 ILE 13 4.519 -3.140 0.771 525 2HG2 ILE 13 2HG2 ILE 13 5.967 -3.901 1.420 526 3HG2 ILE 13 3HG2 ILE 13 4.396 -4.699 1.625 527 1HD1 ILE 13 1HD1 ILE 13 1.180 -3.015 2.941 528 2HD1 ILE 13 2HD1 ILE 13 2.219 -4.039 1.948 529 3HD1 ILE 13 3HD1 ILE 13 2.211 -4.213 3.718 530 H LYS 14 H LYS 14 7.523 -2.961 4.029 531 HA LYS 14 HA LYS 14 8.872 -5.153 2.870 532 1HB LYS 14 1HB LYS 14 9.800 -2.891 3.192 533 2HB LYS 14 2HB LYS 14 9.899 -3.176 4.938 534 1HG LYS 14 1HG LYS 14 11.536 -4.991 4.582 535 2HG LYS 14 2HG LYS 14 11.308 -4.876 2.832 536 1HD LYS 14 1HD LYS 14 13.376 -3.777 3.435 537 2HD LYS 14 2HD LYS 14 12.226 -2.561 2.859 538 1HE LYS 14 1HE LYS 14 11.736 -1.880 5.183 539 2HE LYS 14 2HE LYS 14 12.757 -3.191 5.807 540 1HZ LYS 14 1HZ LYS 14 13.888 -1.095 5.787 541 2HZ LYS 14 2HZ LYS 14 14.624 -2.140 4.748 542 3HZ LYS 14 3HZ LYS 14 13.668 -0.932 4.162 543 H THR 15 H THR 15 8.265 -4.514 6.330 544 HA THR 15 HA THR 15 9.632 -6.852 7.286 545 HB THR 15 HB THR 15 7.477 -5.274 8.737 546 HG1 THR 15 1HG THR 15 9.093 -3.867 8.014 547 1HG2 THR 15 1HG2 THR 15 8.350 -7.429 9.799 548 2HG2 THR 15 2HG2 THR 15 9.972 -6.717 9.737 549 3HG2 THR 15 3HG2 THR 15 8.709 -5.949 10.719 550 H LEU 16 H LEU 16 6.266 -6.276 6.317 551 HA LEU 16 HA LEU 16 5.161 -8.777 7.182 552 1HB LEU 16 1HB LEU 16 3.907 -6.725 6.586 553 2HB LEU 16 2HB LEU 16 4.314 -6.940 4.892 554 HG LEU 16 HG LEU 16 2.939 -9.205 6.352 555 1HD1 LEU 16 1HD1 LEU 16 0.744 -8.183 5.838 556 2HD1 LEU 16 2HD1 LEU 16 1.650 -7.192 6.990 557 3HD1 LEU 16 3HD1 LEU 16 1.556 -6.701 5.287 558 1HD2 LEU 16 1HD2 LEU 16 2.703 -8.054 3.528 559 2HD2 LEU 16 2HD2 LEU 16 3.635 -9.501 3.955 560 3HD2 LEU 16 3HD2 LEU 16 1.873 -9.501 4.126 561 H ARG 17 H ARG 17 6.502 -7.683 4.037 562 HA ARG 17 HA ARG 17 6.441 -10.172 2.672 563 1HB ARG 17 1HB ARG 17 8.472 -7.913 2.507 564 2HB ARG 17 2HB ARG 17 8.343 -9.219 1.336 565 1HG ARG 17 1HG ARG 17 5.914 -7.477 1.885 566 2HG ARG 17 2HG ARG 17 7.247 -6.856 0.912 567 1HD ARG 17 1HD ARG 17 5.604 -7.805 -0.590 568 2HD ARG 17 2HD ARG 17 7.062 -8.786 -0.625 569 HE ARG 17 HE ARG 17 5.929 -10.573 0.227 570 1HH1 ARG 17 1HH1 ARG 17 3.880 -7.744 0.650 571 2HH1 ARG 17 2HH1 ARG 17 2.522 -8.662 1.262 572 1HH2 ARG 17 1HH2 ARG 17 4.281 -11.714 1.160 573 2HH2 ARG 17 2HH2 ARG 17 2.735 -10.960 1.517 574 H LYS 18 H LYS 18 9.099 -8.797 4.698 575 HA LYS 18 HA LYS 18 10.805 -11.023 4.693 576 1HB LYS 18 1HB LYS 18 11.284 -8.781 5.708 577 2HB LYS 18 2HB LYS 18 10.219 -9.200 7.050 578 1HG LYS 18 1HG LYS 18 11.779 -11.309 7.349 579 2HG LYS 18 2HG LYS 18 12.863 -10.446 6.261 580 1HD LYS 18 1HD LYS 18 13.572 -9.927 8.466 581 2HD LYS 18 2HD LYS 18 12.743 -8.468 7.903 582 1HE LYS 18 1HE LYS 18 10.741 -9.059 9.229 583 2HE LYS 18 2HE LYS 18 11.413 -10.649 9.593 584 1HZ LYS 18 1HZ LYS 18 13.189 -9.556 10.774 585 2HZ LYS 18 2HZ LYS 18 12.494 -8.086 10.505 586 3HZ LYS 18 3HZ LYS 18 11.720 -9.218 11.427 587 H CYS 19 H CYS 19 8.289 -10.364 7.194 588 HA CYS 19 HA CYS 19 8.477 -12.711 8.677 589 1HB CYS 19 1HB CYS 19 7.163 -10.851 9.417 590 2HB CYS 19 2HB CYS 19 6.099 -10.952 8.014 591 H LYS 20 H LYS 20 6.446 -12.202 5.744 592 HA LYS 20 HA LYS 20 5.562 -15.006 5.760 593 1HB LYS 20 1HB LYS 20 5.171 -12.741 3.773 594 2HB LYS 20 2HB LYS 20 4.443 -14.354 3.659 595 1HG LYS 20 1HG LYS 20 3.347 -13.999 5.889 596 2HG LYS 20 2HG LYS 20 4.031 -12.375 5.938 597 1HD LYS 20 1HD LYS 20 1.725 -12.238 5.187 598 2HD LYS 20 2HD LYS 20 2.827 -11.741 3.898 599 1HE LYS 20 1HE LYS 20 0.932 -13.135 3.081 600 2HE LYS 20 2HE LYS 20 2.501 -13.846 2.706 601 1HZ LYS 20 1HZ LYS 20 0.948 -15.451 3.559 602 2HZ LYS 20 2HZ LYS 20 2.229 -15.296 4.582 603 3HZ LYS 20 3HZ LYS 20 0.781 -14.609 4.966 604 H ILE 21 H ILE 21 8.513 -13.689 4.813 605 HA ILE 21 HA ILE 21 10.178 -14.255 3.451 606 HB ILE 21 HB ILE 21 8.713 -16.845 2.790 607 1HG1 ILE 21 1HG1 ILE 21 9.076 -16.721 5.206 608 2HG1 ILE 21 2HG1 ILE 21 10.093 -17.933 4.438 609 1HG2 ILE 21 1HG2 ILE 21 10.375 -16.412 1.130 610 2HG2 ILE 21 2HG2 ILE 21 11.579 -15.957 2.345 611 3HG2 ILE 21 3HG2 ILE 21 11.012 -17.637 2.230 612 1HD1 ILE 21 1HD1 ILE 21 11.004 -15.183 5.392 613 2HD1 ILE 21 2HD1 ILE 21 11.361 -16.756 6.116 614 3HD1 ILE 21 3HD1 ILE 21 12.040 -16.355 4.539 615 H ILE 22 H ILE 22 7.247 -15.391 1.748 616 HA ILE 22 HA ILE 22 8.097 -14.096 -0.746 617 HB ILE 22 HB ILE 22 6.935 -16.262 -0.736 618 1HG1 ILE 22 1HG1 ILE 22 5.403 -14.056 -2.184 619 2HG1 ILE 22 2HG1 ILE 22 6.960 -14.729 -2.690 620 1HG2 ILE 22 1HG2 ILE 22 4.595 -16.515 -0.271 621 2HG2 ILE 22 2HG2 ILE 22 5.293 -15.738 1.144 622 3HG2 ILE 22 3HG2 ILE 22 4.370 -14.775 -0.027 623 1HD1 ILE 22 1HD1 ILE 22 5.896 -16.989 -2.869 624 2HD1 ILE 22 2HD1 ILE 22 4.320 -16.236 -2.523 625 3HD1 ILE 22 3HD1 ILE 22 5.219 -15.780 -3.977 626 1H ASN 1 1H ASN 1 -13.493 5.798 13.494 627 2H ASN 1 2H ASN 1 -13.033 5.149 12.053 628 3H ASN 1 3H ASN 1 -13.229 4.181 13.369 629 HA ASN 1 HA ASN 1 -11.455 5.218 14.515 630 1HB ASN 1 1HB ASN 1 -10.962 3.215 13.274 631 2HB ASN 1 2HB ASN 1 -10.791 4.114 11.765 632 1HD2 ASN 1 1HD2 ASN 1 -9.421 4.566 15.114 633 2HD2 ASN 1 2HD2 ASN 1 -7.781 4.792 14.524 634 H LEU 2 H LEU 2 -10.662 6.208 11.150 635 HA LEU 2 HA LEU 2 -9.983 8.210 10.276 636 1HB LEU 2 1HB LEU 2 -12.114 9.265 12.178 637 2HB LEU 2 2HB LEU 2 -11.579 10.046 10.698 638 HG LEU 2 HG LEU 2 -13.055 7.388 10.849 639 1HD1 LEU 2 1HD1 LEU 2 -14.425 9.363 11.401 640 2HD1 LEU 2 2HD1 LEU 2 -13.916 10.145 9.889 641 3HD1 LEU 2 3HD1 LEU 2 -14.892 8.661 9.842 642 1HD2 LEU 2 1HD2 LEU 2 -13.227 7.664 8.363 643 2HD2 LEU 2 2HD2 LEU 2 -12.081 9.017 8.454 644 3HD2 LEU 2 3HD2 LEU 2 -11.568 7.370 8.891 645 H VAL 3 H VAL 3 -9.721 10.818 11.063 646 HA VAL 3 HA VAL 3 -7.343 11.056 12.478 647 HB VAL 3 HB VAL 3 -8.162 13.408 13.075 648 1HG1 VAL 3 1HG1 VAL 3 -7.973 14.140 10.691 649 2HG1 VAL 3 2HG1 VAL 3 -6.696 13.047 11.242 650 3HG1 VAL 3 3HG1 VAL 3 -7.999 12.431 10.211 651 1HG2 VAL 3 1HG2 VAL 3 -10.086 14.279 11.897 652 2HG2 VAL 3 2HG2 VAL 3 -10.487 12.693 11.233 653 3HG2 VAL 3 3HG2 VAL 3 -10.616 12.991 12.980 654 H SER 4 H SER 4 -10.619 10.999 13.932 655 HA SER 4 HA SER 4 -10.015 11.582 16.591 656 1HB SER 4 1HB SER 4 -12.050 9.905 16.910 657 2HB SER 4 2HB SER 4 -12.250 11.469 16.111 658 HG SER 4 HG SER 4 -11.835 9.009 14.731 659 H GLY 5 H GLY 5 -9.582 8.460 14.874 660 1HA GLY 5 1HA GLY 5 -8.168 7.387 17.309 661 2HA GLY 5 2HA GLY 5 -8.980 6.433 16.085 662 H LEU 6 H LEU 6 -6.966 9.257 15.292 663 HA LEU 6 HA LEU 6 -5.067 7.972 13.654 664 1HB LEU 6 1HB LEU 6 -5.465 10.372 13.761 665 2HB LEU 6 2HB LEU 6 -4.805 10.486 15.384 666 HG LEU 6 HG LEU 6 -3.139 9.464 13.047 667 1HD1 LEU 6 1HD1 LEU 6 -3.552 12.356 13.932 668 2HD1 LEU 6 2HD1 LEU 6 -2.376 11.813 12.721 669 3HD1 LEU 6 3HD1 LEU 6 -4.111 11.655 12.401 670 1HD2 LEU 6 1HD2 LEU 6 -1.991 9.163 15.187 671 2HD2 LEU 6 2HD2 LEU 6 -1.274 10.540 14.374 672 3HD2 LEU 6 3HD2 LEU 6 -2.424 10.810 15.693 673 H ILE 7 H ILE 7 -4.729 8.917 17.096 674 HA ILE 7 HA ILE 7 -2.210 7.761 17.544 675 HB ILE 7 HB ILE 7 -2.743 7.837 19.922 676 1HG1 ILE 7 1HG1 ILE 7 -5.591 8.552 19.060 677 2HG1 ILE 7 2HG1 ILE 7 -5.075 7.099 19.933 678 1HG2 ILE 7 1HG2 ILE 7 -2.944 10.235 20.053 679 2HG2 ILE 7 2HG2 ILE 7 -2.063 9.853 18.576 680 3HG2 ILE 7 3HG2 ILE 7 -3.774 10.319 18.486 681 1HD1 ILE 7 1HD1 ILE 7 -6.030 8.597 21.517 682 2HD1 ILE 7 2HD1 ILE 7 -4.282 8.534 21.813 683 3HD1 ILE 7 3HD1 ILE 7 -5.006 9.939 20.990 684 H GLU 8 H GLU 8 -5.409 6.201 17.802 685 HA GLU 8 HA GLU 8 -4.412 3.675 18.734 686 1HB GLU 8 1HB GLU 8 -6.956 4.326 17.174 687 2HB GLU 8 2HB GLU 8 -6.606 2.807 18.006 688 1HG GLU 8 1HG GLU 8 -6.943 5.546 19.318 689 2HG GLU 8 2HG GLU 8 -8.050 4.176 19.408 690 H ALA 9 H ALA 9 -5.213 4.808 15.402 691 HA ALA 9 HA ALA 9 -4.414 2.433 14.059 692 1HB ALA 9 1HB ALA 9 -4.287 5.321 13.099 693 2HB ALA 9 2HB ALA 9 -4.234 3.866 12.081 694 3HB ALA 9 3HB ALA 9 -5.697 4.244 13.013 695 H ARG 10 H ARG 10 -2.500 5.301 14.951 696 HA ARG 10 HA ARG 10 -0.038 4.461 13.797 697 1HB ARG 10 1HB ARG 10 -0.500 6.770 14.217 698 2HB ARG 10 2HB ARG 10 -0.803 6.475 15.932 699 1HG ARG 10 1HG ARG 10 1.359 7.563 15.558 700 2HG ARG 10 2HG ARG 10 1.510 6.016 16.372 701 1HD ARG 10 1HD ARG 10 2.126 4.987 14.074 702 2HD ARG 10 2HD ARG 10 2.051 6.615 13.419 703 HE ARG 10 HE ARG 10 4.100 7.067 14.390 704 1HH1 ARG 10 1HH1 ARG 10 2.738 4.158 15.953 705 2HH1 ARG 10 2HH1 ARG 10 4.143 3.974 16.995 706 1HH2 ARG 10 1HH2 ARG 10 5.927 6.648 15.685 707 2HH2 ARG 10 2HH2 ARG 10 5.925 5.292 16.799 708 H LYS 11 H LYS 11 -1.250 4.192 17.175 709 HA LYS 11 HA LYS 11 1.000 2.841 18.298 710 1HB LYS 11 1HB LYS 11 -0.728 3.854 19.640 711 2HB LYS 11 2HB LYS 11 -1.972 2.820 18.919 712 1HG LYS 11 1HG LYS 11 -1.087 0.846 20.013 713 2HG LYS 11 2HG LYS 11 0.365 1.718 20.525 714 1HD LYS 11 1HD LYS 11 -1.289 1.415 22.371 715 2HD LYS 11 2HD LYS 11 -0.883 3.103 22.055 716 1HE LYS 11 1HE LYS 11 -3.304 2.782 22.481 717 2HE LYS 11 2HE LYS 11 -3.000 3.474 20.889 718 1HZ LYS 11 1HZ LYS 11 -4.626 1.734 20.826 719 2HZ LYS 11 2HZ LYS 11 -3.297 1.288 19.955 720 3HZ LYS 11 3HZ LYS 11 -3.559 0.639 21.449 721 H TYR 12 H TYR 12 -2.035 1.556 16.879 722 HA TYR 12 HA TYR 12 -1.425 -1.193 17.002 723 1HB TYR 12 1HB TYR 12 -3.650 -0.384 16.565 724 2HB TYR 12 2HB TYR 12 -3.132 0.422 15.086 725 HD1 TYR 12 1HD TYR 12 -2.811 -0.763 13.027 726 HD2 TYR 12 2HD TYR 12 -3.672 -2.923 16.655 727 HE1 TYR 12 1HE TYR 12 -2.838 -2.878 11.767 728 HE2 TYR 12 2HE TYR 12 -3.829 -5.032 15.358 729 HH TYR 12 HH TYR 12 -3.647 -6.002 13.313 730 H LEU 13 H LEU 13 -0.817 1.091 14.270 731 HA LEU 13 HA LEU 13 0.495 -0.590 12.479 732 1HB LEU 13 1HB LEU 13 0.031 1.697 11.897 733 2HB LEU 13 2HB LEU 13 0.988 2.305 13.239 734 HG LEU 13 HG LEU 13 3.077 1.516 12.177 735 1HD1 LEU 13 1HD1 LEU 13 2.240 -0.388 10.878 736 2HD1 LEU 13 2HD1 LEU 13 1.231 0.695 9.888 737 3HD1 LEU 13 3HD1 LEU 13 3.002 0.783 9.797 738 1HD2 LEU 13 1HD2 LEU 13 1.362 3.209 10.338 739 2HD2 LEU 13 2HD2 LEU 13 2.229 3.801 11.772 740 3HD2 LEU 13 3HD2 LEU 13 3.132 3.159 10.388 741 H GLU 14 H GLU 14 2.084 1.286 15.132 742 HA GLU 14 HA GLU 14 4.641 0.101 14.758 743 1HB GLU 14 1HB GLU 14 4.370 2.125 15.891 744 2HB GLU 14 2HB GLU 14 3.372 1.412 17.185 745 1HG GLU 14 1HG GLU 14 5.303 0.067 17.936 746 2HG GLU 14 2HG GLU 14 6.290 0.677 16.596 747 H GLN 15 H GLN 15 2.045 -0.889 17.091 748 HA GLN 15 HA GLN 15 3.479 -3.037 18.217 749 1HB GLN 15 1HB GLN 15 1.404 -2.198 19.162 750 2HB GLN 15 2HB GLN 15 0.492 -2.717 17.738 751 1HG GLN 15 1HG GLN 15 0.163 -4.250 19.616 752 2HG GLN 15 2HG GLN 15 0.926 -5.090 18.272 753 1HE2 GLN 15 1HE2 GLN 15 3.327 -5.529 18.451 754 2HE2 GLN 15 2HE2 GLN 15 3.956 -5.705 20.091 755 H LEU 16 H LEU 16 1.326 -3.084 15.349 756 HA LEU 16 HA LEU 16 1.630 -5.830 14.693 757 1HB LEU 16 1HB LEU 16 -0.113 -4.338 13.758 758 2HB LEU 16 2HB LEU 16 1.134 -3.404 12.927 759 HG LEU 16 HG LEU 16 1.757 -5.508 11.643 760 1HD1 LEU 16 1HD1 LEU 16 -0.831 -6.546 12.886 761 2HD1 LEU 16 2HD1 LEU 16 0.033 -7.297 11.530 762 3HD1 LEU 16 3HD1 LEU 16 0.792 -7.228 13.123 763 1HD2 LEU 16 1HD2 LEU 16 -0.086 -5.292 10.082 764 2HD2 LEU 16 2HD2 LEU 16 -1.108 -4.556 11.336 765 3HD2 LEU 16 3HD2 LEU 16 0.321 -3.695 10.731 766 H HIS 17 H HIS 17 3.437 -2.944 13.494 767 HA HIS 17 HA HIS 17 5.255 -4.328 11.850 768 1HB HIS 17 1HB HIS 17 4.832 -1.872 11.914 769 2HB HIS 17 2HB HIS 17 5.771 -1.773 13.407 770 HD1 HIS 17 1HD HIS 17 8.047 -3.930 12.101 771 HD2 HIS 17 2HD HIS 17 6.589 -0.240 10.678 772 HE1 HIS 17 1HE HIS 17 9.879 -2.932 10.623 773 H ARG 18 H ARG 18 5.535 -3.583 15.361 774 HA ARG 18 HA ARG 18 8.106 -4.781 15.758 775 1HB ARG 18 1HB ARG 18 5.733 -4.363 17.609 776 2HB ARG 18 2HB ARG 18 7.268 -5.064 18.141 777 1HG ARG 18 1HG ARG 18 8.491 -3.051 17.473 778 2HG ARG 18 2HG ARG 18 7.011 -2.312 16.853 779 1HD ARG 18 1HD ARG 18 5.986 -2.432 19.104 780 2HD ARG 18 2HD ARG 18 7.455 -3.146 19.766 781 HE ARG 18 HE ARG 18 6.943 -0.347 19.151 782 1HH1 ARG 18 1HH1 ARG 18 9.566 -2.676 19.456 783 2HH1 ARG 18 2HH1 ARG 18 10.763 -1.446 19.804 784 1HH2 ARG 18 1HH2 ARG 18 8.425 1.181 19.549 785 2HH2 ARG 18 2HH2 ARG 18 10.110 0.787 19.859 786 H LYS 19 H LYS 19 4.796 -6.218 16.089 787 HA LYS 19 HA LYS 19 5.646 -8.837 16.737 788 1HB LYS 19 1HB LYS 19 3.333 -8.034 16.892 789 2HB LYS 19 2HB LYS 19 3.220 -7.970 15.124 790 1HG LYS 19 1HG LYS 19 3.504 -10.404 14.969 791 2HG LYS 19 2HG LYS 19 3.869 -10.503 16.697 792 1HD LYS 19 1HD LYS 19 1.590 -11.241 16.280 793 2HD LYS 19 2HD LYS 19 1.576 -9.762 17.255 794 1HE LYS 19 1HE LYS 19 0.991 -8.417 15.288 795 2HE LYS 19 2HE LYS 19 1.182 -9.825 14.221 796 1HZ LYS 19 1HZ LYS 19 -0.803 -9.547 16.370 797 2HZ LYS 19 2HZ LYS 19 -1.101 -9.399 14.756 798 3HZ LYS 19 3HZ LYS 19 -0.639 -10.853 15.379 799 H LEU 20 H LEU 20 4.991 -7.475 13.474 800 HA LEU 20 HA LEU 20 5.885 -9.785 12.011 801 1HB LEU 20 1HB LEU 20 5.320 -6.902 11.365 802 2HB LEU 20 2HB LEU 20 6.173 -7.901 10.187 803 HG LEU 20 HG LEU 20 4.430 -9.471 9.982 804 1HD1 LEU 20 1HD1 LEU 20 3.552 -9.680 12.268 805 2HD1 LEU 20 2HD1 LEU 20 2.942 -8.012 12.207 806 3HD1 LEU 20 3HD1 LEU 20 2.247 -9.257 11.157 807 1HD2 LEU 20 1HD2 LEU 20 3.174 -6.702 10.080 808 2HD2 LEU 20 2HD2 LEU 20 4.268 -7.254 8.802 809 3HD2 LEU 20 3HD2 LEU 20 2.699 -8.058 9.034 810 H LYS 21 H LYS 21 7.732 -6.955 13.246 811 HA LYS 21 HA LYS 21 10.191 -7.667 11.976 812 1HB LYS 21 1HB LYS 21 9.753 -5.498 13.068 813 2HB LYS 21 2HB LYS 21 9.777 -6.289 14.654 814 1HG LYS 21 1HG LYS 21 12.129 -6.979 14.279 815 2HG LYS 21 2HG LYS 21 12.081 -6.250 12.660 816 1HD LYS 21 1HD LYS 21 11.661 -4.016 13.672 817 2HD LYS 21 2HD LYS 21 11.602 -4.750 15.282 818 1HE LYS 21 1HE LYS 21 13.783 -3.723 14.956 819 2HE LYS 21 2HE LYS 21 13.975 -5.481 15.045 820 1HZ LYS 21 1HZ LYS 21 14.106 -5.521 12.659 821 2HZ LYS 21 2HZ LYS 21 13.886 -3.890 12.571 822 3HZ LYS 21 3HZ LYS 21 15.246 -4.504 13.269 823 H ASN 22 H ASN 22 8.777 -8.667 15.096 824 HA ASN 22 HA ASN 22 10.967 -10.418 15.834 825 1HB ASN 22 1HB ASN 22 8.108 -10.115 16.818 826 2HB ASN 22 2HB ASN 22 9.193 -11.374 17.417 827 1HD2 ASN 22 1HD2 ASN 22 8.924 -7.791 17.098 828 2HD2 ASN 22 2HD2 ASN 22 9.984 -7.501 18.482 829 H CYS 23 H CYS 23 7.871 -11.038 14.171 830 HA CYS 23 HA CYS 23 7.626 -13.727 14.012 831 1HB CYS 23 1HB CYS 23 6.095 -12.307 12.838 832 2HB CYS 23 2HB CYS 23 7.395 -11.656 11.837 833 H LYS 24 H LYS 24 9.731 -11.964 11.759 834 HA LYS 24 HA LYS 24 11.205 -12.860 10.143 835 1HB LYS 24 1HB LYS 24 12.169 -11.675 12.132 836 2HB LYS 24 2HB LYS 24 12.518 -13.255 12.841 837 1HG LYS 24 1HG LYS 24 14.018 -13.762 10.886 838 2HG LYS 24 2HG LYS 24 13.562 -12.221 10.153 839 1HD LYS 24 1HD LYS 24 15.722 -11.966 11.192 840 2HD LYS 24 2HD LYS 24 14.551 -11.021 12.131 841 1HE LYS 24 1HE LYS 24 14.453 -12.785 13.848 842 2HE LYS 24 2HE LYS 24 15.470 -13.846 12.858 843 1HZ LYS 24 1HZ LYS 24 16.709 -12.745 14.565 844 2HZ LYS 24 2HZ LYS 24 17.231 -12.247 13.084 845 3HZ LYS 24 3HZ LYS 24 16.276 -11.260 13.994 846 H VAL 25 H VAL 25 9.859 -14.839 9.565 847 HA VAL 25 HA VAL 25 10.595 -17.423 10.486 848 HB VAL 25 HB VAL 25 9.515 -16.472 7.806 849 1HG1 VAL 25 1HG1 VAL 25 10.506 -18.696 7.451 850 2HG1 VAL 25 2HG1 VAL 25 9.709 -19.309 8.918 851 3HG1 VAL 25 3HG1 VAL 25 8.748 -18.830 7.504 852 1HG2 VAL 25 1HG2 VAL 25 8.044 -16.040 9.771 853 2HG2 VAL 25 2HG2 VAL 25 7.363 -17.277 8.709 854 3HG2 VAL 25 3HG2 VAL 25 8.157 -17.750 10.226 Start of MODEL 9 1 1H GLU 1 1H GLU 1 0.261 18.383 10.970 2 2H GLU 1 2H GLU 1 0.970 19.832 10.647 3 3H GLU 1 3H GLU 1 1.905 18.512 10.944 4 HA GLU 1 HA GLU 1 0.105 18.901 8.659 5 1HB GLU 1 1HB GLU 1 2.112 20.324 8.580 6 2HB GLU 1 2HB GLU 1 3.152 18.907 8.769 7 1HG GLU 1 1HG GLU 1 2.213 17.988 6.602 8 2HG GLU 1 2HG GLU 1 1.248 19.462 6.437 9 H ASN 2 H ASN 2 2.880 16.836 9.731 10 HA ASN 2 HA ASN 2 2.114 14.766 7.856 11 1HB ASN 2 1HB ASN 2 4.154 13.690 8.569 12 2HB ASN 2 2HB ASN 2 4.420 15.398 8.246 13 1HD2 ASN 2 1HD2 ASN 2 4.981 12.940 10.501 14 2HD2 ASN 2 2HD2 ASN 2 5.426 13.994 11.853 15 H ARG 3 H ARG 3 -0.108 14.857 9.203 16 HA ARG 3 HA ARG 3 -0.219 12.855 11.308 17 1HB ARG 3 1HB ARG 3 -2.723 12.723 10.438 18 2HB ARG 3 2HB ARG 3 -2.099 13.930 11.547 19 1HG ARG 3 1HG ARG 3 -3.543 14.995 9.983 20 2HG ARG 3 2HG ARG 3 -1.910 15.608 9.778 21 1HD ARG 3 1HD ARG 3 -3.007 15.232 7.609 22 2HD ARG 3 2HD ARG 3 -1.631 14.144 7.801 23 HE ARG 3 HE ARG 3 -4.393 13.252 8.520 24 1HH1 ARG 3 1HH1 ARG 3 -1.652 12.784 6.285 25 2HH1 ARG 3 2HH1 ARG 3 -2.115 11.123 5.976 26 1HH2 ARG 3 1HH2 ARG 3 -4.946 11.243 8.048 27 2HH2 ARG 3 2HH2 ARG 3 -4.009 10.221 6.993 28 H GLU 4 H GLU 4 0.112 12.635 7.852 29 HA GLU 4 HA GLU 4 0.732 10.941 6.566 30 1HB GLU 4 1HB GLU 4 1.477 9.719 9.241 31 2HB GLU 4 2HB GLU 4 1.873 8.981 7.691 32 1HG GLU 4 1HG GLU 4 3.339 10.691 7.056 33 2HG GLU 4 2HG GLU 4 2.652 11.853 8.185 34 H VAL 5 H VAL 5 -0.733 8.989 9.147 35 HA VAL 5 HA VAL 5 -1.394 6.796 7.597 36 HB VAL 5 HB VAL 5 -3.149 6.356 9.414 37 1HG1 VAL 5 1HG1 VAL 5 -1.347 5.833 11.052 38 2HG1 VAL 5 2HG1 VAL 5 -0.962 5.316 9.405 39 3HG1 VAL 5 3HG1 VAL 5 -0.209 6.782 10.077 40 1HG2 VAL 5 1HG2 VAL 5 -1.729 8.487 11.005 41 2HG2 VAL 5 2HG2 VAL 5 -3.141 8.955 10.051 42 3HG2 VAL 5 3HG2 VAL 5 -3.286 7.707 11.292 43 HA PRO 6 HA PRO 6 -5.068 8.454 5.432 44 1HB PRO 6 1HB PRO 6 -5.077 6.835 3.251 45 2HB PRO 6 2HB PRO 6 -3.894 8.160 3.429 46 1HG PRO 6 1HG PRO 6 -3.478 5.226 4.066 47 2HG PRO 6 2HG PRO 6 -2.431 6.295 3.093 48 1HD PRO 6 1HD PRO 6 -1.997 5.770 5.748 49 2HD PRO 6 2HD PRO 6 -1.563 7.333 4.997 50 HA PRO 7 HA PRO 7 -7.770 5.371 7.297 51 1HB PRO 7 1HB PRO 7 -10.059 5.564 5.766 52 2HB PRO 7 2HB PRO 7 -9.561 6.771 6.984 53 1HG PRO 7 1HG PRO 7 -9.075 6.869 3.995 54 2HG PRO 7 2HG PRO 7 -9.739 8.157 5.040 55 1HD PRO 7 1HD PRO 7 -7.131 8.145 4.352 56 2HD PRO 7 2HD PRO 7 -7.602 8.573 6.024 57 H GLY 8 H GLY 8 -7.279 5.368 3.798 58 1HA GLY 8 1HA GLY 8 -7.819 2.797 2.960 59 2HA GLY 8 2HA GLY 8 -6.420 3.748 2.450 60 H PHE 9 H PHE 9 -5.051 3.795 5.061 61 HA PHE 9 HA PHE 9 -3.637 1.268 4.870 62 1HB PHE 9 1HB PHE 9 -2.360 3.111 5.592 63 2HB PHE 9 2HB PHE 9 -3.569 3.623 6.762 64 HD1 PHE 9 1HD PHE 9 -3.107 3.297 9.008 65 HD2 PHE 9 2HD PHE 9 -1.580 0.510 6.095 66 HE1 PHE 9 1HE PHE 9 -2.181 1.903 10.828 67 HE2 PHE 9 2HE PHE 9 -0.654 -0.884 7.921 68 HZ PHE 9 HZ PHE 9 -1.038 -0.247 10.295 69 H THR 10 H THR 10 -5.782 2.636 7.422 70 HA THR 10 HA THR 10 -5.984 0.341 9.027 71 HB THR 10 HB THR 10 -8.138 2.443 8.505 72 HG1 THR 10 1HG THR 10 -5.935 2.452 10.292 73 1HG2 THR 10 1HG2 THR 10 -8.923 0.570 9.906 74 2HG2 THR 10 2HG2 THR 10 -7.490 0.723 10.951 75 3HG2 THR 10 3HG2 THR 10 -8.694 2.028 10.887 76 H ALA 11 H ALA 11 -8.045 1.374 6.278 77 HA ALA 11 HA ALA 11 -9.826 -0.830 6.263 78 1HB ALA 11 1HB ALA 11 -10.135 1.296 5.021 79 2HB ALA 11 2HB ALA 11 -8.852 0.808 3.894 80 3HB ALA 11 3HB ALA 11 -10.353 -0.137 4.001 81 H LEU 12 H LEU 12 -6.738 -0.421 4.444 82 HA LEU 12 HA LEU 12 -6.644 -2.933 3.185 83 1HB LEU 12 1HB LEU 12 -5.189 -1.047 2.708 84 2HB LEU 12 2HB LEU 12 -4.343 -1.231 4.242 85 HG LEU 12 HG LEU 12 -4.425 -3.405 2.107 86 1HD1 LEU 12 1HD1 LEU 12 -2.190 -2.546 1.417 87 2HD1 LEU 12 2HD1 LEU 12 -3.488 -1.382 1.127 88 3HD1 LEU 12 3HD1 LEU 12 -2.405 -1.174 2.523 89 1HD2 LEU 12 1HD2 LEU 12 -2.209 -4.034 3.211 90 2HD2 LEU 12 2HD2 LEU 12 -2.596 -2.892 4.509 91 3HD2 LEU 12 3HD2 LEU 12 -3.605 -4.328 4.228 92 H ILE 13 H ILE 13 -5.242 -2.051 6.418 93 HA ILE 13 HA ILE 13 -4.438 -4.719 7.040 94 HB ILE 13 HB ILE 13 -5.221 -2.437 8.878 95 1HG1 ILE 13 1HG1 ILE 13 -3.244 -1.965 7.478 96 2HG1 ILE 13 2HG1 ILE 13 -2.858 -2.097 9.191 97 1HG2 ILE 13 1HG2 ILE 13 -3.941 -3.726 10.625 98 2HG2 ILE 13 2HG2 ILE 13 -5.476 -4.463 10.169 99 3HG2 ILE 13 3HG2 ILE 13 -3.964 -5.133 9.544 100 1HD1 ILE 13 1HD1 ILE 13 -2.304 -4.230 7.075 101 2HD1 ILE 13 2HD1 ILE 13 -1.132 -3.161 7.837 102 3HD1 ILE 13 3HD1 ILE 13 -1.942 -4.387 8.811 103 H LYS 14 H LYS 14 -7.568 -3.106 7.916 104 HA LYS 14 HA LYS 14 -8.694 -5.403 9.170 105 1HB LYS 14 1HB LYS 14 -9.956 -3.116 7.618 106 2HB LYS 14 2HB LYS 14 -10.901 -4.381 8.427 107 1HG LYS 14 1HG LYS 14 -9.858 -3.860 10.581 108 2HG LYS 14 2HG LYS 14 -8.858 -2.604 9.834 109 1HD LYS 14 1HD LYS 14 -10.861 -1.344 9.170 110 2HD LYS 14 2HD LYS 14 -11.918 -2.593 9.845 111 1HE LYS 14 1HE LYS 14 -9.886 -0.986 11.477 112 2HE LYS 14 2HE LYS 14 -11.610 -0.596 11.348 113 1HZ LYS 14 1HZ LYS 14 -10.494 -3.081 12.443 114 2HZ LYS 14 2HZ LYS 14 -11.159 -1.847 13.305 115 3HZ LYS 14 3HZ LYS 14 -12.099 -2.741 12.289 116 H THR 15 H THR 15 -8.663 -4.515 5.699 117 HA THR 15 HA THR 15 -10.062 -6.846 4.814 118 HB THR 15 HB THR 15 -8.015 -5.290 3.198 119 HG1 THR 15 1HG THR 15 -9.567 -3.874 4.060 120 1HG2 THR 15 1HG2 THR 15 -9.423 -5.977 1.325 121 2HG2 THR 15 2HG2 THR 15 -8.961 -7.441 2.219 122 3HG2 THR 15 3HG2 THR 15 -10.581 -6.758 2.418 123 H LEU 16 H LEU 16 -6.576 -6.313 5.476 124 HA LEU 16 HA LEU 16 -5.647 -8.836 4.552 125 1HB LEU 16 1HB LEU 16 -4.257 -6.832 5.183 126 2HB LEU 16 2HB LEU 16 -4.523 -7.225 6.871 127 HG LEU 16 HG LEU 16 -3.610 -9.582 5.382 128 1HD1 LEU 16 1HD1 LEU 16 -1.336 -8.839 4.937 129 2HD1 LEU 16 2HD1 LEU 16 -2.483 -7.910 3.971 130 3HD1 LEU 16 3HD1 LEU 16 -1.751 -7.175 5.415 131 1HD2 LEU 16 1HD2 LEU 16 -3.584 -9.325 7.864 132 2HD2 LEU 16 2HD2 LEU 16 -1.955 -9.628 7.219 133 3HD2 LEU 16 3HD2 LEU 16 -2.423 -7.990 7.704 134 H ARG 17 H ARG 17 -7.080 -7.857 7.674 135 HA ARG 17 HA ARG 17 -6.928 -10.466 8.893 136 1HB ARG 17 1HB ARG 17 -9.100 -8.402 9.379 137 2HB ARG 17 2HB ARG 17 -8.643 -9.749 10.415 138 1HG ARG 17 1HG ARG 17 -6.425 -8.732 10.816 139 2HG ARG 17 2HG ARG 17 -6.832 -7.392 9.743 140 1HD ARG 17 1HD ARG 17 -8.878 -6.967 11.221 141 2HD ARG 17 2HD ARG 17 -8.133 -8.033 12.409 142 HE ARG 17 HE ARG 17 -7.401 -5.303 11.697 143 1HH1 ARG 17 1HH1 ARG 17 -6.021 -8.281 12.955 144 2HH1 ARG 17 2HH1 ARG 17 -4.700 -7.471 13.769 145 1HH2 ARG 17 1HH2 ARG 17 -5.717 -4.267 12.696 146 2HH2 ARG 17 2HH2 ARG 17 -4.541 -5.166 13.636 147 H LYS 18 H LYS 18 -9.559 -8.915 6.955 148 HA LYS 18 HA LYS 18 -11.244 -11.220 6.878 149 1HB LYS 18 1HB LYS 18 -10.983 -9.122 4.697 150 2HB LYS 18 2HB LYS 18 -12.324 -10.235 4.949 151 1HG LYS 18 1HG LYS 18 -11.515 -7.921 6.732 152 2HG LYS 18 2HG LYS 18 -12.956 -8.058 5.738 153 1HD LYS 18 1HD LYS 18 -13.734 -9.975 7.148 154 2HD LYS 18 2HD LYS 18 -12.317 -9.774 8.196 155 1HE LYS 18 1HE LYS 18 -14.416 -7.616 7.699 156 2HE LYS 18 2HE LYS 18 -14.355 -8.683 9.112 157 1HZ LYS 18 1HZ LYS 18 -12.257 -6.783 8.332 158 2HZ LYS 18 2HZ LYS 18 -13.325 -6.599 9.573 159 3HZ LYS 18 3HZ LYS 18 -12.197 -7.799 9.625 160 H CYS 19 H CYS 19 -8.477 -10.438 4.811 161 HA CYS 19 HA CYS 19 -8.711 -12.742 3.100 162 1HB CYS 19 1HB CYS 19 -7.531 -10.748 2.455 163 2HB CYS 19 2HB CYS 19 -6.392 -10.916 3.789 164 H LYS 20 H LYS 20 -8.335 -12.859 6.380 165 HA LYS 20 HA LYS 20 -7.929 -14.569 7.750 166 1HB LYS 20 1HB LYS 20 -7.466 -16.256 5.256 167 2HB LYS 20 2HB LYS 20 -7.751 -16.853 6.873 168 1HG LYS 20 1HG LYS 20 -9.965 -16.506 6.829 169 2HG LYS 20 2HG LYS 20 -9.877 -14.977 5.976 170 1HD LYS 20 1HD LYS 20 -9.464 -17.666 4.592 171 2HD LYS 20 2HD LYS 20 -11.027 -16.845 4.731 172 1HE LYS 20 1HE LYS 20 -10.040 -14.828 3.588 173 2HE LYS 20 2HE LYS 20 -8.564 -15.764 3.290 174 1HZ LYS 20 1HZ LYS 20 -11.245 -16.464 2.336 175 2HZ LYS 20 2HZ LYS 20 -10.044 -15.789 1.431 176 3HZ LYS 20 3HZ LYS 20 -9.862 -17.311 2.043 177 H ILE 21 H ILE 21 -5.702 -12.800 6.732 178 HA ILE 21 HA ILE 21 -3.315 -14.516 7.031 179 HB ILE 21 HB ILE 21 -3.512 -11.518 6.724 180 1HG1 ILE 21 1HG1 ILE 21 -4.619 -12.429 4.801 181 2HG1 ILE 21 2HG1 ILE 21 -3.027 -11.860 4.324 182 1HG2 ILE 21 1HG2 ILE 21 -1.222 -13.476 6.291 183 2HG2 ILE 21 2HG2 ILE 21 -1.186 -11.763 5.823 184 3HG2 ILE 21 3HG2 ILE 21 -1.322 -12.212 7.526 185 1HD1 ILE 21 1HD1 ILE 21 -3.822 -14.774 4.780 186 2HD1 ILE 21 2HD1 ILE 21 -3.532 -13.976 3.232 187 3HD1 ILE 21 3HD1 ILE 21 -2.186 -14.220 4.351 188 H ILE 22 H ILE 22 -4.973 -11.957 8.866 189 HA ILE 22 HA ILE 22 -3.464 -12.786 11.325 190 HB ILE 22 HB ILE 22 -4.210 -9.955 10.503 191 1HG1 ILE 22 1HG1 ILE 22 -1.503 -11.310 10.932 192 2HG1 ILE 22 2HG1 ILE 22 -2.190 -10.829 9.378 193 1HG2 ILE 22 1HG2 ILE 22 -4.544 -10.341 12.954 194 2HG2 ILE 22 2HG2 ILE 22 -2.888 -10.970 13.063 195 3HG2 ILE 22 3HG2 ILE 22 -3.192 -9.270 12.646 196 1HD1 ILE 22 1HD1 ILE 22 -1.241 -8.982 11.587 197 2HD1 ILE 22 2HD1 ILE 22 -0.619 -9.158 9.944 198 3HD1 ILE 22 3HD1 ILE 22 -2.219 -8.434 10.204 199 1H ASN 1 1H ASN 1 9.959 8.515 -5.238 200 2H ASN 1 2H ASN 1 10.305 8.381 -3.635 201 3H ASN 1 3H ASN 1 8.969 9.201 -4.109 202 HA ASN 1 HA ASN 1 8.058 7.159 -5.060 203 1HB ASN 1 1HB ASN 1 10.449 5.934 -3.627 204 2HB ASN 1 2HB ASN 1 9.146 5.002 -4.364 205 1HD2 ASN 1 1HD2 ASN 1 8.744 5.482 -6.841 206 2HD2 ASN 1 2HD2 ASN 1 10.237 5.734 -7.733 207 H LEU 2 H LEU 2 7.078 5.385 -3.645 208 HA LEU 2 HA LEU 2 5.196 5.501 -2.279 209 1HB LEU 2 1HB LEU 2 7.567 4.609 -0.606 210 2HB LEU 2 2HB LEU 2 5.876 4.263 -0.211 211 HG LEU 2 HG LEU 2 7.337 3.324 -2.720 212 1HD1 LEU 2 1HD1 LEU 2 6.497 1.826 -0.207 213 2HD1 LEU 2 2HD1 LEU 2 7.266 1.118 -1.642 214 3HD1 LEU 2 3HD1 LEU 2 8.161 2.275 -0.644 215 1HD2 LEU 2 1HD2 LEU 2 4.911 3.507 -3.170 216 2HD2 LEU 2 2HD2 LEU 2 5.353 1.814 -2.972 217 3HD2 LEU 2 3HD2 LEU 2 4.550 2.670 -1.644 218 H VAL 3 H VAL 3 7.300 6.330 0.431 219 HA VAL 3 HA VAL 3 5.386 7.764 1.806 220 HB VAL 3 HB VAL 3 7.210 8.686 3.155 221 1HG1 VAL 3 1HG1 VAL 3 6.366 6.418 3.567 222 2HG1 VAL 3 2HG1 VAL 3 7.564 5.741 2.441 223 3HG1 VAL 3 3HG1 VAL 3 8.098 6.544 3.924 224 1HG2 VAL 3 1HG2 VAL 3 9.555 8.028 2.689 225 2HG2 VAL 3 2HG2 VAL 3 9.081 7.424 1.094 226 3HG2 VAL 3 3HG2 VAL 3 8.941 9.153 1.480 227 H SER 4 H SER 4 7.635 9.030 -0.586 228 HA SER 4 HA SER 4 6.620 11.821 -0.306 229 1HB SER 4 1HB SER 4 8.364 12.412 -1.864 230 2HB SER 4 2HB SER 4 9.048 11.465 -0.536 231 HG SER 4 HG SER 4 8.863 9.597 -2.005 232 H GLY 5 H GLY 5 6.777 9.155 -2.638 233 1HA GLY 5 1HA GLY 5 5.208 10.485 -4.701 234 2HA GLY 5 2HA GLY 5 5.677 8.782 -4.642 235 H LEU 6 H LEU 6 3.500 11.042 -2.908 236 HA LEU 6 HA LEU 6 1.708 9.424 -1.710 237 1HB LEU 6 1HB LEU 6 0.771 11.775 -3.419 238 2HB LEU 6 2HB LEU 6 -0.090 11.006 -2.095 239 HG LEU 6 HG LEU 6 0.621 12.794 -0.987 240 1HD1 LEU 6 1HD1 LEU 6 2.550 12.434 0.395 241 2HD1 LEU 6 2HD1 LEU 6 1.659 10.917 0.201 242 3HD1 LEU 6 3HD1 LEU 6 3.184 11.183 -0.678 243 1HD2 LEU 6 1HD2 LEU 6 3.057 12.985 -2.773 244 2HD2 LEU 6 2HD2 LEU 6 1.600 13.981 -2.787 245 3HD2 LEU 6 3HD2 LEU 6 2.710 14.066 -1.410 246 H ILE 7 H ILE 7 1.310 10.262 -5.171 247 HA ILE 7 HA ILE 7 -0.922 8.581 -5.646 248 HB ILE 7 HB ILE 7 -0.402 8.822 -8.015 249 1HG1 ILE 7 1HG1 ILE 7 2.199 10.160 -7.115 250 2HG1 ILE 7 2HG1 ILE 7 2.046 8.632 -7.996 251 1HG2 ILE 7 1HG2 ILE 7 -0.749 11.203 -8.119 252 2HG2 ILE 7 2HG2 ILE 7 -1.533 10.612 -6.656 253 3HG2 ILE 7 3HG2 ILE 7 0.027 11.455 -6.542 254 1HD1 ILE 7 1HD1 ILE 7 2.642 10.321 -9.565 255 2HD1 ILE 7 2HD1 ILE 7 0.959 9.855 -9.884 256 3HD1 ILE 7 3HD1 ILE 7 1.328 11.384 -9.048 257 H GLU 8 H GLU 8 2.530 7.766 -5.661 258 HA GLU 8 HA GLU 8 2.219 5.174 -6.950 259 1HB GLU 8 1HB GLU 8 4.324 6.557 -6.932 260 2HB GLU 8 2HB GLU 8 4.465 6.255 -5.194 261 1HG GLU 8 1HG GLU 8 4.466 3.746 -5.748 262 2HG GLU 8 2HG GLU 8 4.619 4.214 -7.448 263 H ALA 9 H ALA 9 2.707 6.340 -3.593 264 HA ALA 9 HA ALA 9 2.399 3.865 -2.217 265 1HB ALA 9 1HB ALA 9 1.709 6.721 -1.411 266 2HB ALA 9 2HB ALA 9 1.629 5.327 -0.318 267 3HB ALA 9 3HB ALA 9 3.177 5.796 -1.034 268 H ARG 10 H ARG 10 -0.106 6.303 -3.078 269 HA ARG 10 HA ARG 10 -2.241 4.789 -2.004 270 1HB ARG 10 1HB ARG 10 -2.167 7.292 -2.550 271 2HB ARG 10 2HB ARG 10 -2.466 6.839 -4.227 272 1HG ARG 10 1HG ARG 10 -4.566 7.424 -3.223 273 2HG ARG 10 2HG ARG 10 -4.584 5.677 -3.470 274 1HD ARG 10 1HD ARG 10 -5.554 6.262 -1.324 275 2HD ARG 10 2HD ARG 10 -4.103 5.342 -1.023 276 HE ARG 10 HE ARG 10 -4.589 8.253 -0.602 277 1HH1 ARG 10 1HH1 ARG 10 -2.177 5.663 -0.264 278 2HH1 ARG 10 2HH1 ARG 10 -1.211 6.613 0.844 279 1HH2 ARG 10 1HH2 ARG 10 -3.342 9.365 0.860 280 2HH2 ARG 10 2HH2 ARG 10 -1.863 8.659 1.492 281 H LYS 11 H LYS 11 -1.010 4.900 -5.391 282 HA LYS 11 HA LYS 11 -2.900 3.078 -6.472 283 1HB LYS 11 1HB LYS 11 -1.391 4.422 -7.827 284 2HB LYS 11 2HB LYS 11 0.019 3.543 -7.207 285 1HG LYS 11 1HG LYS 11 -0.771 1.462 -8.242 286 2HG LYS 11 2HG LYS 11 -2.292 2.246 -8.723 287 1HD LYS 11 1HD LYS 11 -1.067 3.766 -10.224 288 2HD LYS 11 2HD LYS 11 0.482 3.144 -9.639 289 1HE LYS 11 1HE LYS 11 -0.065 2.155 -11.818 290 2HE LYS 11 2HE LYS 11 -0.024 0.907 -10.564 291 1HZ LYS 11 1HZ LYS 11 -2.403 0.986 -10.482 292 2HZ LYS 11 2HZ LYS 11 -2.457 2.192 -11.606 293 3HZ LYS 11 3HZ LYS 11 -1.912 0.694 -12.026 294 H TYR 12 H TYR 12 0.358 2.387 -5.051 295 HA TYR 12 HA TYR 12 0.225 -0.439 -5.183 296 1HB TYR 12 1HB TYR 12 2.285 0.643 -4.623 297 2HB TYR 12 2HB TYR 12 1.577 1.444 -3.225 298 HD1 TYR 12 1HD TYR 12 1.506 0.391 -1.083 299 HD2 TYR 12 2HD TYR 12 2.438 -1.945 -4.583 300 HE1 TYR 12 1HE TYR 12 1.810 -1.629 0.333 301 HE2 TYR 12 2HE TYR 12 2.775 -3.944 -3.156 302 HH TYR 12 HH TYR 12 2.753 -4.785 -1.014 303 H LEU 13 H LEU 13 -0.666 1.646 -2.413 304 HA LEU 13 HA LEU 13 -1.718 -0.248 -0.665 305 1HB LEU 13 1HB LEU 13 -1.237 2.106 -0.210 306 2HB LEU 13 2HB LEU 13 -2.633 2.619 -1.158 307 HG LEU 13 HG LEU 13 -2.806 0.884 1.345 308 1HD1 LEU 13 1HD1 LEU 13 -1.749 3.056 1.849 309 2HD1 LEU 13 2HD1 LEU 13 -3.109 3.898 1.071 310 3HD1 LEU 13 3HD1 LEU 13 -3.370 2.945 2.546 311 1HD2 LEU 13 1HD2 LEU 13 -5.157 1.875 1.396 312 2HD2 LEU 13 2HD2 LEU 13 -4.883 2.469 -0.248 313 3HD2 LEU 13 3HD2 LEU 13 -4.903 0.724 0.106 314 H GLU 14 H GLU 14 -3.568 1.636 -3.124 315 HA GLU 14 HA GLU 14 -6.056 0.404 -2.753 316 1HB GLU 14 1HB GLU 14 -5.765 2.447 -4.017 317 2HB GLU 14 2HB GLU 14 -4.773 1.631 -5.228 318 1HG GLU 14 1HG GLU 14 -7.102 2.032 -6.007 319 2HG GLU 14 2HG GLU 14 -6.679 0.321 -6.017 320 H GLN 15 H GLN 15 -3.517 -0.541 -5.181 321 HA GLN 15 HA GLN 15 -5.061 -2.772 -6.129 322 1HB GLN 15 1HB GLN 15 -2.073 -2.234 -6.298 323 2HB GLN 15 2HB GLN 15 -2.941 -3.537 -7.136 324 1HG GLN 15 1HG GLN 15 -4.497 -1.697 -8.076 325 2HG GLN 15 2HG GLN 15 -3.292 -0.534 -7.543 326 1HE2 GLN 15 1HE2 GLN 15 -0.967 -1.028 -8.347 327 2HE2 GLN 15 2HE2 GLN 15 -0.869 -1.644 -9.996 328 H LEU 16 H LEU 16 -2.553 -2.602 -3.588 329 HA LEU 16 HA LEU 16 -2.474 -5.375 -2.976 330 1HB LEU 16 1HB LEU 16 -0.953 -3.418 -2.262 331 2HB LEU 16 2HB LEU 16 -2.131 -3.079 -1.005 332 HG LEU 16 HG LEU 16 -0.261 -4.271 -0.128 333 1HD1 LEU 16 1HD1 LEU 16 -2.537 -4.919 0.727 334 2HD1 LEU 16 2HD1 LEU 16 -2.436 -6.366 -0.309 335 3HD1 LEU 16 3HD1 LEU 16 -1.257 -6.121 0.987 336 1HD2 LEU 16 1HD2 LEU 16 0.518 -6.432 -0.869 337 2HD2 LEU 16 2HD2 LEU 16 -0.760 -6.552 -2.089 338 3HD2 LEU 16 3HD2 LEU 16 0.514 -5.326 -2.255 339 H HIS 17 H HIS 17 -4.427 -2.754 -1.477 340 HA HIS 17 HA HIS 17 -6.060 -4.313 0.212 341 1HB HIS 17 1HB HIS 17 -5.777 -1.857 0.235 342 2HB HIS 17 2HB HIS 17 -6.719 -1.733 -1.252 343 HD1 HIS 17 1HD HIS 17 -8.938 -3.988 0.025 344 HD2 HIS 17 2HD HIS 17 -7.590 -0.251 1.432 345 HE1 HIS 17 1HE HIS 17 -10.810 -3.024 1.477 346 H ARG 18 H ARG 18 -6.561 -3.446 -3.235 347 HA ARG 18 HA ARG 18 -9.086 -4.685 -3.607 348 1HB ARG 18 1HB ARG 18 -8.028 -3.097 -5.164 349 2HB ARG 18 2HB ARG 18 -6.787 -4.292 -5.544 350 1HG ARG 18 1HG ARG 18 -8.604 -5.816 -6.447 351 2HG ARG 18 2HG ARG 18 -9.763 -4.507 -6.143 352 1HD ARG 18 1HD ARG 18 -9.044 -4.421 -8.475 353 2HD ARG 18 2HD ARG 18 -8.398 -3.013 -7.607 354 HE ARG 18 HE ARG 18 -6.616 -5.343 -7.675 355 1HH1 ARG 18 1HH1 ARG 18 -7.515 -2.439 -9.474 356 2HH1 ARG 18 2HH1 ARG 18 -5.946 -2.307 -10.244 357 1HH2 ARG 18 1HH2 ARG 18 -4.635 -5.161 -8.721 358 2HH2 ARG 18 2HH2 ARG 18 -4.301 -3.778 -9.753 359 H LYS 19 H LYS 19 -5.761 -6.039 -4.083 360 HA LYS 19 HA LYS 19 -6.605 -8.694 -4.733 361 1HB LYS 19 1HB LYS 19 -4.065 -7.646 -3.438 362 2HB LYS 19 2HB LYS 19 -4.311 -9.335 -3.904 363 1HG LYS 19 1HG LYS 19 -4.643 -8.725 -6.238 364 2HG LYS 19 2HG LYS 19 -4.555 -7.000 -5.850 365 1HD LYS 19 1HD LYS 19 -2.226 -7.293 -5.027 366 2HD LYS 19 2HD LYS 19 -2.302 -9.019 -5.437 367 1HE LYS 19 1HE LYS 19 -2.715 -8.421 -7.828 368 2HE LYS 19 2HE LYS 19 -2.620 -6.699 -7.406 369 1HZ LYS 19 1HZ LYS 19 -0.554 -7.519 -8.263 370 2HZ LYS 19 2HZ LYS 19 -0.370 -7.065 -6.690 371 3HZ LYS 19 3HZ LYS 19 -0.459 -8.663 -7.080 372 H LEU 20 H LEU 20 -5.811 -7.265 -1.511 373 HA LEU 20 HA LEU 20 -6.476 -9.607 -0.007 374 1HB LEU 20 1HB LEU 20 -6.694 -6.693 0.791 375 2HB LEU 20 2HB LEU 20 -6.769 -8.065 1.905 376 HG LEU 20 HG LEU 20 -4.349 -7.459 0.169 377 1HD1 LEU 20 1HD1 LEU 20 -3.395 -6.595 2.319 378 2HD1 LEU 20 2HD1 LEU 20 -4.770 -5.644 1.739 379 3HD1 LEU 20 3HD1 LEU 20 -4.997 -6.793 3.063 380 1HD2 LEU 20 1HD2 LEU 20 -4.748 -9.371 2.501 381 2HD2 LEU 20 2HD2 LEU 20 -4.405 -9.808 0.815 382 3HD2 LEU 20 3HD2 LEU 20 -3.187 -8.960 1.767 383 H LYS 21 H LYS 21 -8.629 -6.988 -1.212 384 HA LYS 21 HA LYS 21 -10.993 -8.031 0.044 385 1HB LYS 21 1HB LYS 21 -10.838 -5.787 -0.937 386 2HB LYS 21 2HB LYS 21 -10.705 -6.490 -2.557 387 1HG LYS 21 1HG LYS 21 -12.960 -7.461 -2.362 388 2HG LYS 21 2HG LYS 21 -13.057 -6.955 -0.675 389 1HD LYS 21 1HD LYS 21 -14.338 -5.443 -2.141 390 2HD LYS 21 2HD LYS 21 -13.044 -4.600 -1.286 391 1HE LYS 21 1HE LYS 21 -13.257 -3.884 -3.656 392 2HE LYS 21 2HE LYS 21 -11.660 -4.544 -3.305 393 1HZ LYS 21 1HZ LYS 21 -12.356 -6.605 -4.290 394 2HZ LYS 21 2HZ LYS 21 -13.864 -6.010 -4.586 395 3HZ LYS 21 3HZ LYS 21 -12.558 -5.371 -5.362 396 H ASN 22 H ASN 22 -9.670 -8.586 -3.263 397 HA ASN 22 HA ASN 22 -11.534 -10.518 -4.100 398 1HB ASN 22 1HB ASN 22 -9.662 -9.301 -5.392 399 2HB ASN 22 2HB ASN 22 -8.592 -10.597 -4.857 400 1HD2 ASN 22 1HD2 ASN 22 -10.763 -12.768 -5.131 401 2HD2 ASN 22 2HD2 ASN 22 -10.930 -12.886 -6.876 402 H CYS 23 H CYS 23 -8.579 -10.979 -2.172 403 HA CYS 23 HA CYS 23 -8.470 -13.785 -1.980 404 1HB CYS 23 1HB CYS 23 -6.702 -12.333 -1.174 405 2HB CYS 23 2HB CYS 23 -7.812 -11.583 -0.035 406 H LYS 24 H LYS 24 -10.777 -11.569 -0.360 407 HA LYS 24 HA LYS 24 -11.679 -13.639 1.501 408 1HB LYS 24 1HB LYS 24 -11.716 -11.324 2.156 409 2HB LYS 24 2HB LYS 24 -12.792 -10.902 0.821 410 1HG LYS 24 1HG LYS 24 -13.869 -11.078 3.063 411 2HG LYS 24 2HG LYS 24 -14.650 -12.032 1.811 412 1HD LYS 24 1HD LYS 24 -13.671 -14.100 2.632 413 2HD LYS 24 2HD LYS 24 -12.648 -13.229 3.784 414 1HE LYS 24 1HE LYS 24 -15.705 -13.239 3.821 415 2HE LYS 24 2HE LYS 24 -14.680 -14.314 4.788 416 1HZ LYS 24 1HZ LYS 24 -14.699 -11.385 4.955 417 2HZ LYS 24 2HZ LYS 24 -15.334 -12.433 6.056 418 3HZ LYS 24 3HZ LYS 24 -13.703 -12.386 5.806 419 H VAL 25 H VAL 25 -11.767 -15.107 -0.458 420 HA VAL 25 HA VAL 25 -14.094 -15.028 -2.169 421 HB VAL 25 HB VAL 25 -13.510 -17.334 -2.730 422 1HG1 VAL 25 1HG1 VAL 25 -12.330 -15.432 -3.808 423 2HG1 VAL 25 2HG1 VAL 25 -11.039 -15.553 -2.597 424 3HG1 VAL 25 3HG1 VAL 25 -11.332 -16.893 -3.718 425 1HG2 VAL 25 1HG2 VAL 25 -11.546 -18.445 -1.774 426 2HG2 VAL 25 2HG2 VAL 25 -11.322 -17.134 -0.606 427 3HG2 VAL 25 3HG2 VAL 25 -12.761 -18.173 -0.520 428 1H GLU 1 1H GLU 1 -2.054 14.410 1.437 429 2H GLU 1 2H GLU 1 -1.668 15.773 0.595 430 3H GLU 1 3H GLU 1 -2.890 15.795 1.702 431 HA GLU 1 HA GLU 1 -1.059 16.886 2.613 432 1HB GLU 1 1HB GLU 1 -2.516 15.604 4.052 433 2HB GLU 1 2HB GLU 1 -1.541 14.152 3.868 434 1HG GLU 1 1HG GLU 1 -0.206 16.674 4.917 435 2HG GLU 1 2HG GLU 1 -1.319 15.811 5.964 436 H ASN 2 H ASN 2 1.063 17.168 2.940 437 HA ASN 2 HA ASN 2 2.870 16.695 1.083 438 1HB ASN 2 1HB ASN 2 3.560 16.801 4.049 439 2HB ASN 2 2HB ASN 2 4.624 17.247 2.709 440 1HD2 ASN 2 1HD2 ASN 2 4.752 19.476 2.462 441 2HD2 ASN 2 2HD2 ASN 2 3.417 20.560 2.834 442 H ARG 3 H ARG 3 2.627 14.530 3.887 443 HA ARG 3 HA ARG 3 3.828 12.298 2.307 444 1HB ARG 3 1HB ARG 3 4.478 13.017 5.195 445 2HB ARG 3 2HB ARG 3 5.015 11.555 4.359 446 1HG ARG 3 1HG ARG 3 5.790 14.397 3.529 447 2HG ARG 3 2HG ARG 3 6.764 13.327 4.537 448 1HD ARG 3 1HD ARG 3 6.909 11.669 2.752 449 2HD ARG 3 2HD ARG 3 5.883 12.637 1.705 450 HE ARG 3 HE ARG 3 8.692 13.162 2.468 451 1HH1 ARG 3 1HH1 ARG 3 5.834 14.457 0.769 452 2HH1 ARG 3 2HH1 ARG 3 6.808 15.440 -0.290 453 1HH2 ARG 3 1HH2 ARG 3 9.872 14.506 1.135 454 2HH2 ARG 3 2HH2 ARG 3 9.080 15.519 -0.047 455 H GLU 4 H GLU 4 1.249 12.447 2.171 456 HA GLU 4 HA GLU 4 -0.255 11.370 4.317 457 1HB GLU 4 1HB GLU 4 -0.972 12.641 2.194 458 2HB GLU 4 2HB GLU 4 -0.954 11.083 1.379 459 1HG GLU 4 1HG GLU 4 -2.625 10.272 3.146 460 2HG GLU 4 2HG GLU 4 -2.617 11.904 3.817 461 H VAL 5 H VAL 5 1.799 9.693 4.461 462 HA VAL 5 HA VAL 5 0.816 7.061 4.416 463 HB VAL 5 HB VAL 5 0.960 6.803 2.139 464 1HG1 VAL 5 1HG1 VAL 5 3.042 7.545 0.806 465 2HG1 VAL 5 2HG1 VAL 5 1.874 8.777 1.268 466 3HG1 VAL 5 3HG1 VAL 5 3.378 8.621 2.179 467 1HG2 VAL 5 1HG2 VAL 5 2.270 5.089 3.395 468 2HG2 VAL 5 2HG2 VAL 5 2.754 5.277 1.704 469 3HG2 VAL 5 3HG2 VAL 5 3.762 5.965 2.977 470 HA PRO 6 HA PRO 6 4.281 7.807 7.163 471 1HB PRO 6 1HB PRO 6 3.941 5.813 8.992 472 2HB PRO 6 2HB PRO 6 2.819 7.190 8.872 473 1HG PRO 6 1HG PRO 6 2.482 4.453 7.649 474 2HG PRO 6 2HG PRO 6 1.295 5.378 8.602 475 1HD PRO 6 1HD PRO 6 1.278 5.364 5.874 476 2HD PRO 6 2HD PRO 6 0.837 6.830 6.801 477 HA PRO 7 HA PRO 7 7.543 4.988 5.590 478 1HB PRO 7 1HB PRO 7 8.640 5.636 8.340 479 2HB PRO 7 2HB PRO 7 9.518 5.539 6.787 480 1HG PRO 7 1HG PRO 7 8.831 7.958 7.798 481 2HG PRO 7 2HG PRO 7 8.571 7.626 6.061 482 1HD PRO 7 1HD PRO 7 6.532 7.563 8.295 483 2HD PRO 7 2HD PRO 7 6.404 8.248 6.645 484 H GLY 8 H GLY 8 6.268 4.806 8.909 485 1HA GLY 8 1HA GLY 8 6.736 2.182 9.653 486 2HA GLY 8 2HA GLY 8 5.280 3.089 10.052 487 H PHE 9 H PHE 9 4.336 3.293 7.204 488 HA PHE 9 HA PHE 9 2.958 0.724 7.050 489 1HB PHE 9 1HB PHE 9 1.770 2.674 6.333 490 2HB PHE 9 2HB PHE 9 3.050 3.131 5.208 491 HD1 PHE 9 1HD PHE 9 2.629 2.716 2.942 492 HD2 PHE 9 2HD PHE 9 0.921 0.093 5.904 493 HE1 PHE 9 1HE PHE 9 1.373 1.533 1.169 494 HE2 PHE 9 2HE PHE 9 -0.323 -1.104 4.121 495 HZ PHE 9 HZ PHE 9 -0.107 -0.379 1.750 496 H THR 10 H THR 10 5.465 2.356 5.021 497 HA THR 10 HA THR 10 5.977 0.202 3.268 498 HB THR 10 HB THR 10 7.998 2.213 4.362 499 HG1 THR 10 1HG THR 10 6.142 2.384 2.224 500 1HG2 THR 10 1HG2 THR 10 9.038 0.430 3.002 501 2HG2 THR 10 2HG2 THR 10 7.832 0.681 1.722 502 3HG2 THR 10 3HG2 THR 10 9.004 1.959 2.106 503 H ALA 11 H ALA 11 7.430 0.942 6.466 504 HA ALA 11 HA ALA 11 9.147 -1.320 6.614 505 1HB ALA 11 1HB ALA 11 9.239 0.701 8.073 506 2HB ALA 11 2HB ALA 11 7.787 0.123 8.921 507 3HB ALA 11 3HB ALA 11 9.287 -0.830 8.961 508 H LEU 12 H LEU 12 5.772 -0.949 7.849 509 HA LEU 12 HA LEU 12 5.402 -3.546 8.862 510 1HB LEU 12 1HB LEU 12 3.940 -1.616 9.184 511 2HB LEU 12 2HB LEU 12 3.353 -1.730 7.529 512 HG LEU 12 HG LEU 12 3.079 -4.010 9.543 513 1HD1 LEU 12 1HD1 LEU 12 1.247 -1.645 9.002 514 2HD1 LEU 12 2HD1 LEU 12 0.765 -3.084 9.919 515 3HD1 LEU 12 3HD1 LEU 12 2.059 -2.037 10.529 516 1HD2 LEU 12 1HD2 LEU 12 2.577 -4.739 7.242 517 2HD2 LEU 12 2HD2 LEU 12 1.070 -4.556 8.120 518 3HD2 LEU 12 3HD2 LEU 12 1.572 -3.298 6.975 519 H ILE 13 H ILE 13 4.630 -2.351 5.544 520 HA ILE 13 HA ILE 13 3.898 -4.856 4.426 521 HB ILE 13 HB ILE 13 5.141 -2.359 3.235 522 1HG1 ILE 13 1HG1 ILE 13 2.864 -2.086 4.183 523 2HG1 ILE 13 2HG1 ILE 13 2.946 -1.818 2.448 524 1HG2 ILE 13 1HG2 ILE 13 4.102 -4.785 1.732 525 2HG2 ILE 13 2HG2 ILE 13 4.390 -3.182 1.015 526 3HG2 ILE 13 3HG2 ILE 13 5.737 -4.096 1.685 527 1HD1 ILE 13 1HD1 ILE 13 1.839 -4.302 3.839 528 2HD1 ILE 13 2HD1 ILE 13 0.926 -3.033 3.021 529 3HD1 ILE 13 3HD1 ILE 13 1.965 -4.101 2.077 530 H LYS 14 H LYS 14 7.162 -3.309 4.350 531 HA LYS 14 HA LYS 14 8.521 -5.410 3.077 532 1HB LYS 14 1HB LYS 14 9.377 -3.142 3.540 533 2HB LYS 14 2HB LYS 14 9.559 -3.551 5.254 534 1HG LYS 14 1HG LYS 14 11.130 -5.421 4.566 535 2HG LYS 14 2HG LYS 14 11.008 -4.856 2.901 536 1HD LYS 14 1HD LYS 14 12.077 -3.312 5.318 537 2HD LYS 14 2HD LYS 14 13.044 -4.006 4.014 538 1HE LYS 14 1HE LYS 14 11.085 -1.669 3.783 539 2HE LYS 14 2HE LYS 14 12.846 -1.600 3.704 540 1HZ LYS 14 1HZ LYS 14 11.894 -1.553 1.535 541 2HZ LYS 14 2HZ LYS 14 12.757 -2.945 1.725 542 3HZ LYS 14 3HZ LYS 14 11.111 -2.981 1.783 543 H THR 15 H THR 15 8.095 -4.924 6.607 544 HA THR 15 HA THR 15 9.382 -7.372 7.341 545 HB THR 15 HB THR 15 8.326 -7.053 9.554 546 HG1 THR 15 1HG THR 15 7.291 -4.692 8.390 547 1HG2 THR 15 1HG2 THR 15 9.509 -4.934 10.085 548 2HG2 THR 15 2HG2 THR 15 10.494 -6.023 9.089 549 3HG2 THR 15 3HG2 THR 15 9.713 -4.611 8.357 550 H LEU 16 H LEU 16 5.973 -6.674 6.533 551 HA LEU 16 HA LEU 16 4.973 -9.247 7.256 552 1HB LEU 16 1HB LEU 16 3.654 -7.186 6.672 553 2HB LEU 16 2HB LEU 16 3.957 -7.495 4.970 554 HG LEU 16 HG LEU 16 2.790 -9.693 6.712 555 1HD1 LEU 16 1HD1 LEU 16 1.181 -7.416 5.491 556 2HD1 LEU 16 2HD1 LEU 16 0.538 -8.860 6.311 557 3HD1 LEU 16 3HD1 LEU 16 1.464 -7.668 7.228 558 1HD2 LEU 16 1HD2 LEU 16 3.342 -10.262 4.353 559 2HD2 LEU 16 2HD2 LEU 16 1.597 -10.268 4.613 560 3HD2 LEU 16 3HD2 LEU 16 2.361 -8.895 3.792 561 H ARG 17 H ARG 17 6.224 -8.014 4.115 562 HA ARG 17 HA ARG 17 6.160 -10.488 2.724 563 1HB ARG 17 1HB ARG 17 7.785 -7.954 2.410 564 2HB ARG 17 2HB ARG 17 8.245 -9.408 1.524 565 1HG ARG 17 1HG ARG 17 6.884 -8.213 0.051 566 2HG ARG 17 2HG ARG 17 5.925 -9.584 0.596 567 1HD ARG 17 1HD ARG 17 4.735 -8.090 2.206 568 2HD ARG 17 2HD ARG 17 5.671 -6.718 1.612 569 HE ARG 17 HE ARG 17 3.411 -8.065 0.339 570 1HH1 ARG 17 1HH1 ARG 17 6.206 -6.041 -0.326 571 2HH1 ARG 17 2HH1 ARG 17 5.625 -5.511 -1.887 572 1HH2 ARG 17 1HH2 ARG 17 2.683 -7.437 -1.680 573 2HH2 ARG 17 2HH2 ARG 17 3.642 -6.382 -2.693 574 H LYS 18 H LYS 18 8.842 -9.134 4.722 575 HA LYS 18 HA LYS 18 10.603 -11.339 4.623 576 1HB LYS 18 1HB LYS 18 11.160 -9.230 5.760 577 2HB LYS 18 2HB LYS 18 9.893 -9.536 6.943 578 1HG LYS 18 1HG LYS 18 11.193 -11.698 7.591 579 2HG LYS 18 2HG LYS 18 12.485 -11.061 6.585 580 1HD LYS 18 1HD LYS 18 12.827 -10.567 8.962 581 2HD LYS 18 2HD LYS 18 12.651 -9.073 8.039 582 1HE LYS 18 1HE LYS 18 11.478 -9.113 10.280 583 2HE LYS 18 2HE LYS 18 10.432 -8.694 8.928 584 1HZ LYS 18 1HZ LYS 18 9.653 -10.971 8.924 585 2HZ LYS 18 2HZ LYS 18 10.581 -11.318 10.240 586 3HZ LYS 18 3HZ LYS 18 9.355 -10.225 10.355 587 H CYS 19 H CYS 19 8.012 -10.813 7.105 588 HA CYS 19 HA CYS 19 8.441 -13.231 8.415 589 1HB CYS 19 1HB CYS 19 7.210 -11.547 9.499 590 2HB CYS 19 2HB CYS 19 5.970 -11.488 8.250 591 H LYS 20 H LYS 20 6.210 -12.581 5.707 592 HA LYS 20 HA LYS 20 5.397 -15.426 5.552 593 1HB LYS 20 1HB LYS 20 4.720 -13.117 3.708 594 2HB LYS 20 2HB LYS 20 3.904 -14.683 3.817 595 1HG LYS 20 1HG LYS 20 3.917 -12.470 5.909 596 2HG LYS 20 2HG LYS 20 2.567 -12.980 4.897 597 1HD LYS 20 1HD LYS 20 2.604 -15.227 6.002 598 2HD LYS 20 2HD LYS 20 3.902 -14.672 7.074 599 1HE LYS 20 1HE LYS 20 1.145 -13.389 6.898 600 2HE LYS 20 2HE LYS 20 1.660 -14.542 8.138 601 1HZ LYS 20 1HZ LYS 20 1.890 -12.326 8.921 602 2HZ LYS 20 2HZ LYS 20 3.389 -12.996 8.762 603 3HZ LYS 20 3HZ LYS 20 2.853 -11.905 7.652 604 H ILE 21 H ILE 21 8.268 -14.183 4.823 605 HA ILE 21 HA ILE 21 9.971 -14.779 3.556 606 HB ILE 21 HB ILE 21 8.295 -17.002 2.338 607 1HG1 ILE 21 1HG1 ILE 21 8.164 -17.310 4.726 608 2HG1 ILE 21 2HG1 ILE 21 9.285 -18.478 4.042 609 1HG2 ILE 21 1HG2 ILE 21 11.296 -16.578 2.571 610 2HG2 ILE 21 2HG2 ILE 21 10.514 -18.080 2.038 611 3HG2 ILE 21 3HG2 ILE 21 10.322 -16.600 1.092 612 1HD1 ILE 21 1HD1 ILE 21 10.147 -17.603 6.133 613 2HD1 ILE 21 2HD1 ILE 21 11.206 -17.071 4.819 614 3HD1 ILE 21 3HD1 ILE 21 10.047 -15.938 5.557 615 H ILE 22 H ILE 22 7.105 -15.099 1.442 616 HA ILE 22 HA ILE 22 8.491 -13.694 -0.745 617 HB ILE 22 HB ILE 22 7.071 -15.615 -1.154 618 1HG1 ILE 22 1HG1 ILE 22 7.542 -13.889 -2.894 619 2HG1 ILE 22 2HG1 ILE 22 6.165 -14.953 -3.161 620 1HG2 ILE 22 1HG2 ILE 22 4.661 -13.925 -0.388 621 2HG2 ILE 22 2HG2 ILE 22 4.642 -15.515 -1.164 622 3HG2 ILE 22 3HG2 ILE 22 5.280 -15.342 0.473 623 1HD1 ILE 22 1HD1 ILE 22 5.945 -12.051 -2.255 624 2HD1 ILE 22 2HD1 ILE 22 5.655 -12.689 -3.873 625 3HD1 ILE 22 3HD1 ILE 22 4.590 -13.164 -2.547 626 1H ASN 1 1H ASN 1 -5.062 12.675 10.918 627 2H ASN 1 2H ASN 1 -5.394 13.833 12.041 628 3H ASN 1 3H ASN 1 -4.703 12.410 12.507 629 HA ASN 1 HA ASN 1 -7.390 12.714 11.355 630 1HB ASN 1 1HB ASN 1 -6.019 10.217 12.426 631 2HB ASN 1 2HB ASN 1 -7.659 10.310 11.758 632 1HD2 ASN 1 1HD2 ASN 1 -5.987 8.449 10.679 633 2HD2 ASN 1 2HD2 ASN 1 -5.370 8.980 9.121 634 H LEU 2 H LEU 2 -6.973 14.433 13.277 635 HA LEU 2 HA LEU 2 -7.395 15.207 15.350 636 1HB LEU 2 1HB LEU 2 -9.039 12.664 15.764 637 2HB LEU 2 2HB LEU 2 -8.869 13.970 16.918 638 HG LEU 2 HG LEU 2 -9.833 15.579 15.270 639 1HD1 LEU 2 1HD1 LEU 2 -10.369 13.032 13.673 640 2HD1 LEU 2 2HD1 LEU 2 -11.258 14.549 13.440 641 3HD1 LEU 2 3HD1 LEU 2 -9.532 14.499 13.110 642 1HD2 LEU 2 1HD2 LEU 2 -11.538 13.166 16.019 643 2HD2 LEU 2 2HD2 LEU 2 -11.150 14.536 17.081 644 3HD2 LEU 2 3HD2 LEU 2 -12.141 14.793 15.638 645 H VAL 3 H VAL 3 -6.632 15.034 17.621 646 HA VAL 3 HA VAL 3 -4.075 13.877 17.672 647 HB VAL 3 HB VAL 3 -4.723 15.781 19.014 648 1HG1 VAL 3 1HG1 VAL 3 -6.155 13.897 20.936 649 2HG1 VAL 3 2HG1 VAL 3 -5.943 15.644 21.079 650 3HG1 VAL 3 3HG1 VAL 3 -6.982 14.994 19.805 651 1HG2 VAL 3 1HG2 VAL 3 -3.451 15.230 21.021 652 2HG2 VAL 3 2HG2 VAL 3 -3.677 13.494 20.738 653 3HG2 VAL 3 3HG2 VAL 3 -2.714 14.464 19.603 654 H SER 4 H SER 4 -7.048 12.612 19.195 655 HA SER 4 HA SER 4 -6.013 10.285 20.438 656 1HB SER 4 1HB SER 4 -8.438 9.563 20.227 657 2HB SER 4 2HB SER 4 -8.192 11.160 20.964 658 HG SER 4 HG SER 4 -9.818 11.198 19.295 659 H GLY 5 H GLY 5 -7.880 10.480 17.428 660 1HA GLY 5 1HA GLY 5 -7.440 7.931 16.391 661 2HA GLY 5 2HA GLY 5 -7.709 9.351 15.385 662 H LEU 6 H LEU 6 -5.364 10.825 15.813 663 HA LEU 6 HA LEU 6 -3.437 9.596 14.176 664 1HB LEU 6 1HB LEU 6 -3.609 12.000 14.459 665 2HB LEU 6 2HB LEU 6 -3.176 11.875 16.169 666 HG LEU 6 HG LEU 6 -0.908 11.104 15.569 667 1HD1 LEU 6 1HD1 LEU 6 -1.891 11.477 12.702 668 2HD1 LEU 6 2HD1 LEU 6 -0.188 11.317 13.183 669 3HD1 LEU 6 3HD1 LEU 6 -1.305 9.971 13.440 670 1HD2 LEU 6 1HD2 LEU 6 -1.382 13.506 15.863 671 2HD2 LEU 6 2HD2 LEU 6 -0.120 13.242 14.646 672 3HD2 LEU 6 3HD2 LEU 6 -1.773 13.649 14.136 673 H ILE 7 H ILE 7 -3.146 10.115 17.791 674 HA ILE 7 HA ILE 7 -0.734 8.567 17.869 675 HB ILE 7 HB ILE 7 -0.863 8.535 20.236 676 1HG1 ILE 7 1HG1 ILE 7 -3.689 9.628 20.012 677 2HG1 ILE 7 2HG1 ILE 7 -3.209 8.050 20.645 678 1HG2 ILE 7 1HG2 ILE 7 -1.751 11.263 19.227 679 2HG2 ILE 7 2HG2 ILE 7 -0.704 10.905 20.612 680 3HG2 ILE 7 3HG2 ILE 7 -0.141 10.567 18.976 681 1HD1 ILE 7 1HD1 ILE 7 -3.662 9.483 22.501 682 2HD1 ILE 7 2HD1 ILE 7 -1.908 9.210 22.445 683 3HD1 ILE 7 3HD1 ILE 7 -2.599 10.754 21.882 684 H GLU 8 H GLU 8 -4.133 7.569 18.361 685 HA GLU 8 HA GLU 8 -3.616 4.866 19.035 686 1HB GLU 8 1HB GLU 8 -5.810 5.927 19.237 687 2HB GLU 8 2HB GLU 8 -5.921 6.123 17.484 688 1HG GLU 8 1HG GLU 8 -7.247 4.187 18.305 689 2HG GLU 8 2HG GLU 8 -6.001 3.689 17.160 690 H ALA 9 H ALA 9 -4.107 6.338 15.774 691 HA ALA 9 HA ALA 9 -3.686 3.985 14.266 692 1HB ALA 9 1HB ALA 9 -3.095 6.868 13.520 693 2HB ALA 9 2HB ALA 9 -3.274 5.497 12.397 694 3HB ALA 9 3HB ALA 9 -4.659 6.038 13.357 695 H ARG 10 H ARG 10 -1.279 6.463 15.326 696 HA ARG 10 HA ARG 10 1.028 5.196 14.214 697 1HB ARG 10 1HB ARG 10 0.646 6.938 16.670 698 2HB ARG 10 2HB ARG 10 2.230 6.378 16.142 699 1HG ARG 10 1HG ARG 10 0.354 8.053 14.411 700 2HG ARG 10 2HG ARG 10 1.665 8.681 15.413 701 1HD ARG 10 1HD ARG 10 3.234 7.085 14.133 702 2HD ARG 10 2HD ARG 10 1.940 6.911 12.947 703 HE ARG 10 HE ARG 10 3.711 9.175 13.391 704 1HH1 ARG 10 1HH1 ARG 10 0.524 8.363 12.186 705 2HH1 ARG 10 2HH1 ARG 10 0.339 9.837 11.256 706 1HH2 ARG 10 1HH2 ARG 10 3.533 11.036 12.206 707 2HH2 ARG 10 2HH2 ARG 10 2.129 11.425 11.265 708 H LYS 11 H LYS 11 -0.400 4.763 17.509 709 HA LYS 11 HA LYS 11 1.446 2.777 18.387 710 1HB LYS 11 1HB LYS 11 -1.450 3.339 19.108 711 2HB LYS 11 2HB LYS 11 -0.460 2.131 19.941 712 1HG LYS 11 1HG LYS 11 1.130 3.786 20.674 713 2HG LYS 11 2HG LYS 11 0.362 5.056 19.708 714 1HD LYS 11 1HD LYS 11 -1.750 4.771 21.004 715 2HD LYS 11 2HD LYS 11 -0.957 3.568 22.033 716 1HE LYS 11 1HE LYS 11 -0.083 6.485 21.703 717 2HE LYS 11 2HE LYS 11 -1.031 5.850 23.056 718 1HZ LYS 11 1HZ LYS 11 1.268 5.979 23.614 719 2HZ LYS 11 2HZ LYS 11 0.800 4.400 23.581 720 3HZ LYS 11 3HZ LYS 11 1.695 5.021 22.345 721 H TYR 12 H TYR 12 -1.747 2.355 16.813 722 HA TYR 12 HA TYR 12 -1.819 -0.460 16.629 723 1HB TYR 12 1HB TYR 12 -3.690 1.039 16.218 724 2HB TYR 12 2HB TYR 12 -2.889 1.741 14.827 725 HD1 TYR 12 1HD TYR 12 -4.515 -1.343 16.131 726 HD2 TYR 12 2HD TYR 12 -3.087 0.763 12.657 727 HE1 TYR 12 1HE TYR 12 -5.918 -2.784 14.672 728 HE2 TYR 12 2HE TYR 12 -4.472 -0.692 11.201 729 HH TYR 12 HH TYR 12 -6.018 -2.360 11.139 730 H LEU 13 H LEU 13 -0.699 1.873 14.159 731 HA LEU 13 HA LEU 13 0.355 0.155 12.237 732 1HB LEU 13 1HB LEU 13 0.062 2.566 11.941 733 2HB LEU 13 2HB LEU 13 1.261 2.897 13.189 734 HG LEU 13 HG LEU 13 3.027 1.842 11.718 735 1HD1 LEU 13 1HD1 LEU 13 1.491 0.482 10.277 736 2HD1 LEU 13 2HD1 LEU 13 0.819 1.995 9.616 737 3HD1 LEU 13 3HD1 LEU 13 2.511 1.569 9.339 738 1HD2 LEU 13 1HD2 LEU 13 3.081 3.814 10.179 739 2HD2 LEU 13 2HD2 LEU 13 1.434 4.226 10.699 740 3HD2 LEU 13 3HD2 LEU 13 2.771 4.254 11.868 741 H GLU 14 H GLU 14 2.214 1.674 14.956 742 HA GLU 14 HA GLU 14 4.556 0.193 14.263 743 1HB GLU 14 1HB GLU 14 3.899 1.794 16.743 744 2HB GLU 14 2HB GLU 14 5.481 1.072 16.405 745 1HG GLU 14 1HG GLU 14 4.065 3.182 14.718 746 2HG GLU 14 2HG GLU 14 5.509 3.408 15.705 747 H GLN 15 H GLN 15 2.007 -0.562 16.659 748 HA GLN 15 HA GLN 15 3.335 -2.874 17.745 749 1HB GLN 15 1HB GLN 15 0.420 -2.139 17.385 750 2HB GLN 15 2HB GLN 15 0.931 -3.653 18.146 751 1HG GLN 15 1HG GLN 15 2.101 -2.539 19.915 752 2HG GLN 15 2HG GLN 15 1.941 -0.958 19.143 753 1HE2 GLN 15 1HE2 GLN 15 -0.421 -0.394 18.598 754 2HE2 GLN 15 2HE2 GLN 15 -1.579 -0.647 19.921 755 H LEU 16 H LEU 16 1.084 -2.571 14.920 756 HA LEU 16 HA LEU 16 1.286 -5.313 14.136 757 1HB LEU 16 1HB LEU 16 0.756 -2.779 12.555 758 2HB LEU 16 2HB LEU 16 0.642 -4.400 11.852 759 HG LEU 16 HG LEU 16 -0.968 -3.614 14.313 760 1HD1 LEU 16 1HD1 LEU 16 -1.715 -3.368 11.372 761 2HD1 LEU 16 2HD1 LEU 16 -2.834 -3.194 12.746 762 3HD1 LEU 16 3HD1 LEU 16 -1.513 -2.032 12.525 763 1HD2 LEU 16 1HD2 LEU 16 -1.334 -5.774 12.180 764 2HD2 LEU 16 2HD2 LEU 16 -0.791 -6.056 13.847 765 3HD2 LEU 16 3HD2 LEU 16 -2.424 -5.462 13.542 766 H HIS 17 H HIS 17 3.151 -2.496 12.893 767 HA HIS 17 HA HIS 17 5.003 -3.804 11.262 768 1HB HIS 17 1HB HIS 17 4.905 -1.399 11.408 769 2HB HIS 17 2HB HIS 17 5.248 -1.459 13.135 770 HD1 HIS 17 1HD HIS 17 7.376 0.010 13.129 771 HD2 HIS 17 2HD HIS 17 7.491 -3.374 10.617 772 HE1 HIS 17 1HE HIS 17 9.812 -0.307 12.425 773 H ARG 18 H ARG 18 5.354 -3.264 14.837 774 HA ARG 18 HA ARG 18 7.729 -4.763 15.124 775 1HB ARG 18 1HB ARG 18 6.922 -3.316 16.880 776 2HB ARG 18 2HB ARG 18 5.476 -4.317 17.120 777 1HG ARG 18 1HG ARG 18 6.817 -6.213 17.843 778 2HG ARG 18 2HG ARG 18 8.316 -5.374 17.396 779 1HD ARG 18 1HD ARG 18 8.028 -3.800 19.243 780 2HD ARG 18 2HD ARG 18 6.386 -4.388 19.526 781 HE ARG 18 HE ARG 18 7.189 -6.124 20.757 782 1HH1 ARG 18 1HH1 ARG 18 9.900 -4.946 18.848 783 2HH1 ARG 18 2HH1 ARG 18 10.999 -6.183 19.421 784 1HH2 ARG 18 1HH2 ARG 18 8.583 -7.732 21.444 785 2HH2 ARG 18 2HH2 ARG 18 10.227 -7.800 20.861 786 H LYS 19 H LYS 19 4.319 -5.946 15.441 787 HA LYS 19 HA LYS 19 4.945 -8.625 16.032 788 1HB LYS 19 1HB LYS 19 2.708 -7.726 16.239 789 2HB LYS 19 2HB LYS 19 2.600 -7.437 14.504 790 1HG LYS 19 1HG LYS 19 1.326 -9.401 15.156 791 2HG LYS 19 2HG LYS 19 2.614 -9.830 14.027 792 1HD LYS 19 1HD LYS 19 3.980 -10.747 15.867 793 2HD LYS 19 2HD LYS 19 2.846 -10.102 17.066 794 1HE LYS 19 1HE LYS 19 2.489 -12.503 16.770 795 2HE LYS 19 2HE LYS 19 1.068 -11.610 16.209 796 1HZ LYS 19 1HZ LYS 19 3.206 -12.677 14.494 797 2HZ LYS 19 2HZ LYS 19 1.713 -13.344 14.695 798 3HZ LYS 19 3HZ LYS 19 1.868 -11.874 13.971 799 H LEU 20 H LEU 20 4.441 -7.157 12.779 800 HA LEU 20 HA LEU 20 5.161 -9.555 11.346 801 1HB LEU 20 1HB LEU 20 5.052 -6.638 10.512 802 2HB LEU 20 2HB LEU 20 5.560 -7.940 9.446 803 HG LEU 20 HG LEU 20 3.373 -7.561 8.879 804 1HD1 LEU 20 1HD1 LEU 20 3.963 -10.008 9.217 805 2HD1 LEU 20 2HD1 LEU 20 3.043 -9.937 10.739 806 3HD1 LEU 20 3HD1 LEU 20 2.231 -9.622 9.202 807 1HD2 LEU 20 1HD2 LEU 20 1.431 -7.532 10.337 808 2HD2 LEU 20 2HD2 LEU 20 2.463 -7.710 11.765 809 3HD2 LEU 20 3HD2 LEU 20 2.577 -6.251 10.740 810 H LYS 21 H LYS 21 7.169 -6.847 12.518 811 HA LYS 21 HA LYS 21 9.597 -7.744 11.322 812 1HB LYS 21 1HB LYS 21 9.149 -5.509 12.361 813 2HB LYS 21 2HB LYS 21 9.283 -6.264 13.956 814 1HG LYS 21 1HG LYS 21 11.608 -6.930 13.468 815 2HG LYS 21 2HG LYS 21 11.458 -6.304 11.813 816 1HD LYS 21 1HD LYS 21 11.032 -4.021 12.704 817 2HD LYS 21 2HD LYS 21 11.188 -4.638 14.361 818 1HE LYS 21 1HE LYS 21 13.528 -5.344 13.879 819 2HE LYS 21 2HE LYS 21 13.369 -4.742 12.218 820 1HZ LYS 21 1HZ LYS 21 13.002 -2.557 13.108 821 2HZ LYS 21 2HZ LYS 21 13.152 -3.113 14.653 822 3HZ LYS 21 3HZ LYS 21 14.445 -3.157 13.630 823 H ASN 22 H ASN 22 8.028 -8.660 14.377 824 HA ASN 22 HA ASN 22 10.200 -10.403 15.250 825 1HB ASN 22 1HB ASN 22 7.335 -9.981 16.165 826 2HB ASN 22 2HB ASN 22 8.339 -11.288 16.799 827 1HD2 ASN 22 1HD2 ASN 22 8.393 -7.709 16.363 828 2HD2 ASN 22 2HD2 ASN 22 9.304 -7.450 17.858 829 H CYS 23 H CYS 23 7.012 -11.063 13.643 830 HA CYS 23 HA CYS 23 7.394 -13.877 13.933 831 1HB CYS 23 1HB CYS 23 5.385 -14.200 12.799 832 2HB CYS 23 2HB CYS 23 5.225 -12.742 13.770 833 H LYS 24 H LYS 24 7.668 -15.555 12.405 834 HA LYS 24 HA LYS 24 8.280 -14.955 9.671 835 1HB LYS 24 1HB LYS 24 10.493 -14.520 10.747 836 2HB LYS 24 2HB LYS 24 10.518 -16.198 11.314 837 1HG LYS 24 1HG LYS 24 10.497 -17.007 8.990 838 2HG LYS 24 2HG LYS 24 10.279 -15.353 8.380 839 1HD LYS 24 1HD LYS 24 12.457 -14.692 9.372 840 2HD LYS 24 2HD LYS 24 12.707 -16.346 9.954 841 1HE LYS 24 1HE LYS 24 12.349 -15.555 7.017 842 2HE LYS 24 2HE LYS 24 13.911 -15.827 7.807 843 1HZ LYS 24 1HZ LYS 24 13.241 -18.069 8.263 844 2HZ LYS 24 2HZ LYS 24 11.787 -17.835 7.526 845 3HZ LYS 24 3HZ LYS 24 13.177 -17.765 6.645 846 H VAL 25 H VAL 25 7.476 -16.525 8.426 847 HA VAL 25 HA VAL 25 6.370 -18.940 9.596 848 HB VAL 25 HB VAL 25 6.680 -17.981 6.724 849 1HG1 VAL 25 1HG1 VAL 25 4.942 -19.697 6.193 850 2HG1 VAL 25 2HG1 VAL 25 6.476 -20.424 6.678 851 3HG1 VAL 25 3HG1 VAL 25 5.122 -20.361 7.829 852 1HG2 VAL 25 1HG2 VAL 25 4.268 -18.069 8.596 853 2HG2 VAL 25 2HG2 VAL 25 5.159 -16.602 8.156 854 3HG2 VAL 25 3HG2 VAL 25 4.268 -17.496 6.917 Start of MODEL 10 1 1H GLU 1 1H GLU 1 6.525 16.506 3.120 2 2H GLU 1 2H GLU 1 8.095 16.357 3.559 3 3H GLU 1 3H GLU 1 7.061 17.221 4.513 4 HA GLU 1 HA GLU 1 6.974 14.335 3.993 5 1HB GLU 1 1HB GLU 1 7.643 15.695 6.606 6 2HB GLU 1 2HB GLU 1 7.753 13.978 6.210 7 1HG GLU 1 1HG GLU 1 9.515 16.241 5.149 8 2HG GLU 1 2HG GLU 1 9.979 14.937 6.234 9 H ASN 2 H ASN 2 4.717 15.820 3.389 10 HA ASN 2 HA ASN 2 2.923 15.967 5.680 11 1HB ASN 2 1HB ASN 2 2.864 17.496 3.716 12 2HB ASN 2 2HB ASN 2 2.270 16.169 2.714 13 1HD2 ASN 2 1HD2 ASN 2 0.228 15.019 3.731 14 2HD2 ASN 2 2HD2 ASN 2 -0.971 16.142 4.386 15 H ARG 3 H ARG 3 3.389 13.702 6.336 16 HA ARG 3 HA ARG 3 1.425 11.818 5.091 17 1HB ARG 3 1HB ARG 3 3.005 9.992 5.860 18 2HB ARG 3 2HB ARG 3 3.439 10.910 4.416 19 1HG ARG 3 1HG ARG 3 5.096 12.189 5.552 20 2HG ARG 3 2HG ARG 3 4.552 11.653 7.157 21 1HD ARG 3 1HD ARG 3 5.248 9.411 6.736 22 2HD ARG 3 2HD ARG 3 5.552 9.747 5.017 23 HE ARG 3 HE ARG 3 7.275 10.362 7.307 24 1HH1 ARG 3 1HH1 ARG 3 6.624 11.203 3.887 25 2HH1 ARG 3 2HH1 ARG 3 8.293 11.668 3.626 26 1HH2 ARG 3 1HH2 ARG 3 9.355 11.063 6.894 27 2HH2 ARG 3 2HH2 ARG 3 9.756 11.776 5.344 28 H GLU 4 H GLU 4 0.149 10.641 6.257 29 HA GLU 4 HA GLU 4 0.068 10.987 9.222 30 1HB GLU 4 1HB GLU 4 -2.258 11.170 7.249 31 2HB GLU 4 2HB GLU 4 -2.360 11.211 9.020 32 1HG GLU 4 1HG GLU 4 -2.521 13.456 8.355 33 2HG GLU 4 2HG GLU 4 -0.879 13.276 8.982 34 H VAL 5 H VAL 5 -2.567 9.280 8.206 35 HA VAL 5 HA VAL 5 -1.536 6.860 7.183 36 HB VAL 5 HB VAL 5 -0.547 6.306 9.202 37 1HG1 VAL 5 1HG1 VAL 5 -1.544 7.939 10.723 38 2HG1 VAL 5 2HG1 VAL 5 -3.074 7.044 10.719 39 3HG1 VAL 5 3HG1 VAL 5 -1.603 6.307 11.388 40 1HG2 VAL 5 1HG2 VAL 5 -3.221 4.875 9.272 41 2HG2 VAL 5 2HG2 VAL 5 -1.876 4.500 8.168 42 3HG2 VAL 5 3HG2 VAL 5 -1.670 4.320 9.920 43 HA PRO 6 HA PRO 6 -5.866 7.870 6.586 44 1HB PRO 6 1HB PRO 6 -6.312 6.878 4.076 45 2HB PRO 6 2HB PRO 6 -5.316 8.327 4.394 46 1HG PRO 6 1HG PRO 6 -4.342 5.477 4.028 47 2HG PRO 6 2HG PRO 6 -3.775 6.944 3.176 48 1HD PRO 6 1HD PRO 6 -2.489 5.950 5.356 49 2HD PRO 6 2HD PRO 6 -2.633 7.719 5.114 50 HA PRO 7 HA PRO 7 -8.246 4.303 7.914 51 1HB PRO 7 1HB PRO 7 -10.121 5.164 5.689 52 2HB PRO 7 2HB PRO 7 -10.537 4.605 7.336 53 1HG PRO 7 1HG PRO 7 -10.480 7.256 6.823 54 2HG PRO 7 2HG PRO 7 -9.681 6.638 8.300 55 1HD PRO 7 1HD PRO 7 -8.398 7.424 5.677 56 2HD PRO 7 2HD PRO 7 -7.890 7.767 7.359 57 H GLY 8 H GLY 8 -7.690 4.689 4.426 58 1HA GLY 8 1HA GLY 8 -8.158 2.187 3.337 59 2HA GLY 8 2HA GLY 8 -6.777 3.211 2.924 60 H PHE 9 H PHE 9 -5.422 3.102 5.486 61 HA PHE 9 HA PHE 9 -4.001 0.600 5.259 62 1HB PHE 9 1HB PHE 9 -2.871 2.558 6.094 63 2HB PHE 9 2HB PHE 9 -4.060 2.773 7.377 64 HD1 PHE 9 1HD PHE 9 -3.289 2.206 9.521 65 HD2 PHE 9 2HD PHE 9 -1.937 -0.086 6.128 66 HE1 PHE 9 1HE PHE 9 -2.008 0.712 11.029 67 HE2 PHE 9 2HE PHE 9 -0.679 -1.587 7.646 68 HZ PHE 9 HZ PHE 9 -0.773 -1.227 10.108 69 H THR 10 H THR 10 -6.353 1.816 7.728 70 HA THR 10 HA THR 10 -6.473 -0.533 9.287 71 HB THR 10 HB THR 10 -8.772 1.398 8.754 72 HG1 THR 10 1HG THR 10 -6.607 1.673 10.561 73 1HG2 THR 10 1HG2 THR 10 -9.282 0.954 11.130 74 2HG2 THR 10 2HG2 THR 10 -9.322 -0.552 10.195 75 3HG2 THR 10 3HG2 THR 10 -7.925 -0.185 11.230 76 H ALA 11 H ALA 11 -8.446 0.475 6.474 77 HA ALA 11 HA ALA 11 -10.103 -1.851 6.358 78 1HB ALA 11 1HB ALA 11 -9.307 0.112 4.184 79 2HB ALA 11 2HB ALA 11 -10.684 -1.022 4.130 80 3HB ALA 11 3HB ALA 11 -10.659 0.292 5.319 81 H LEU 12 H LEU 12 -6.960 -1.122 4.746 82 HA LEU 12 HA LEU 12 -6.660 -3.577 3.364 83 1HB LEU 12 1HB LEU 12 -5.240 -1.662 3.032 84 2HB LEU 12 2HB LEU 12 -4.524 -1.816 4.633 85 HG LEU 12 HG LEU 12 -4.409 -4.092 2.638 86 1HD1 LEU 12 1HD1 LEU 12 -3.524 -2.162 1.457 87 2HD1 LEU 12 2HD1 LEU 12 -2.579 -1.690 2.879 88 3HD1 LEU 12 3HD1 LEU 12 -2.161 -3.159 1.969 89 1HD2 LEU 12 1HD2 LEU 12 -2.218 -4.544 3.824 90 2HD2 LEU 12 2HD2 LEU 12 -2.612 -3.252 4.974 91 3HD2 LEU 12 3HD2 LEU 12 -3.591 -4.729 4.890 92 H ILE 13 H ILE 13 -5.550 -2.754 6.723 93 HA ILE 13 HA ILE 13 -4.688 -5.398 7.333 94 HB ILE 13 HB ILE 13 -5.692 -3.200 9.160 95 1HG1 ILE 13 1HG1 ILE 13 -3.632 -2.630 7.894 96 2HG1 ILE 13 2HG1 ILE 13 -3.384 -2.737 9.633 97 1HG2 ILE 13 1HG2 ILE 13 -4.435 -5.885 9.825 98 2HG2 ILE 13 2HG2 ILE 13 -4.393 -4.507 10.939 99 3HG2 ILE 13 3HG2 ILE 13 -5.945 -5.190 10.443 100 1HD1 ILE 13 1HD1 ILE 13 -2.557 -4.832 7.570 101 2HD1 ILE 13 2HD1 ILE 13 -1.506 -3.727 8.459 102 3HD1 ILE 13 3HD1 ILE 13 -2.357 -5.004 9.331 103 H LYS 14 H LYS 14 -7.942 -3.958 7.805 104 HA LYS 14 HA LYS 14 -9.166 -6.226 8.965 105 1HB LYS 14 1HB LYS 14 -10.094 -3.957 8.815 106 2HB LYS 14 2HB LYS 14 -10.389 -4.155 7.090 107 1HG LYS 14 1HG LYS 14 -11.600 -6.012 9.194 108 2HG LYS 14 2HG LYS 14 -12.324 -4.466 8.743 109 1HD LYS 14 1HD LYS 14 -12.391 -5.232 6.335 110 2HD LYS 14 2HD LYS 14 -11.918 -6.852 6.885 111 1HE LYS 14 1HE LYS 14 -13.881 -6.951 8.373 112 2HE LYS 14 2HE LYS 14 -14.380 -5.334 7.837 113 1HZ LYS 14 1HZ LYS 14 -14.094 -7.684 6.102 114 2HZ LYS 14 2HZ LYS 14 -15.519 -7.060 6.652 115 3HZ LYS 14 3HZ LYS 14 -14.576 -6.184 5.622 116 H THR 15 H THR 15 -9.062 -5.350 5.461 117 HA THR 15 HA THR 15 -10.269 -7.807 4.598 118 HB THR 15 HB THR 15 -9.279 -7.263 2.351 119 HG1 THR 15 1HG THR 15 -8.511 -4.879 3.701 120 1HG2 THR 15 1HG2 THR 15 -11.553 -6.579 3.061 121 2HG2 THR 15 2HG2 THR 15 -10.887 -5.072 3.729 122 3HG2 THR 15 3HG2 THR 15 -10.802 -5.397 1.982 123 H LEU 16 H LEU 16 -6.822 -6.998 5.071 124 HA LEU 16 HA LEU 16 -5.762 -9.487 4.216 125 1HB LEU 16 1HB LEU 16 -4.489 -7.439 4.723 126 2HB LEU 16 2HB LEU 16 -4.740 -7.671 6.447 127 HG LEU 16 HG LEU 16 -3.507 -9.918 4.825 128 1HD1 LEU 16 1HD1 LEU 16 -2.288 -7.908 4.103 129 2HD1 LEU 16 2HD1 LEU 16 -2.014 -7.448 5.796 130 3HD1 LEU 16 3HD1 LEU 16 -1.276 -8.926 5.129 131 1HD2 LEU 16 1HD2 LEU 16 -2.208 -10.258 6.920 132 2HD2 LEU 16 2HD2 LEU 16 -3.029 -8.871 7.660 133 3HD2 LEU 16 3HD2 LEU 16 -3.938 -10.336 7.243 134 H ARG 17 H ARG 17 -6.864 -8.485 7.502 135 HA ARG 17 HA ARG 17 -6.470 -10.985 8.770 136 1HB ARG 17 1HB ARG 17 -6.827 -8.970 10.000 137 2HB ARG 17 2HB ARG 17 -8.453 -8.748 9.351 138 1HG ARG 17 1HG ARG 17 -7.852 -11.345 10.773 139 2HG ARG 17 2HG ARG 17 -7.974 -9.884 11.751 140 1HD ARG 17 1HD ARG 17 -10.193 -9.410 11.051 141 2HD ARG 17 2HD ARG 17 -10.186 -10.618 9.781 142 HE ARG 17 HE ARG 17 -10.592 -11.048 12.640 143 1HH1 ARG 17 1HH1 ARG 17 -9.542 -12.722 9.655 144 2HH1 ARG 17 2HH1 ARG 17 -10.279 -14.221 10.165 145 1HH2 ARG 17 1HH2 ARG 17 -11.340 -13.087 13.272 146 2HH2 ARG 17 2HH2 ARG 17 -11.169 -14.455 12.190 147 H LYS 18 H LYS 18 -9.342 -9.797 6.938 148 HA LYS 18 HA LYS 18 -10.878 -12.194 7.278 149 1HB LYS 18 1HB LYS 18 -11.874 -10.163 6.480 150 2HB LYS 18 2HB LYS 18 -10.884 -10.165 5.015 151 1HG LYS 18 1HG LYS 18 -11.924 -12.142 4.161 152 2HG LYS 18 2HG LYS 18 -12.752 -12.485 5.684 153 1HD LYS 18 1HD LYS 18 -13.267 -9.975 4.017 154 2HD LYS 18 2HD LYS 18 -14.137 -11.497 3.781 155 1HE LYS 18 1HE LYS 18 -14.900 -11.468 6.142 156 2HE LYS 18 2HE LYS 18 -14.112 -9.902 6.384 157 1HZ LYS 18 1HZ LYS 18 -15.523 -9.015 4.656 158 2HZ LYS 18 2HZ LYS 18 -16.250 -10.479 4.454 159 3HZ LYS 18 3HZ LYS 18 -16.425 -9.664 5.875 160 H CYS 19 H CYS 19 -8.770 -11.269 4.514 161 HA CYS 19 HA CYS 19 -8.785 -13.614 3.021 162 1HB CYS 19 1HB CYS 19 -7.723 -11.468 2.394 163 2HB CYS 19 2HB CYS 19 -6.444 -11.764 3.573 164 H LYS 20 H LYS 20 -6.728 -12.887 5.823 165 HA LYS 20 HA LYS 20 -5.239 -15.322 5.827 166 1HB LYS 20 1HB LYS 20 -4.548 -13.127 6.781 167 2HB LYS 20 2HB LYS 20 -5.794 -13.280 8.013 168 1HG LYS 20 1HG LYS 20 -3.565 -13.788 8.882 169 2HG LYS 20 2HG LYS 20 -4.657 -15.144 9.052 170 1HD LYS 20 1HD LYS 20 -2.407 -15.868 8.346 171 2HD LYS 20 2HD LYS 20 -3.627 -16.314 7.162 172 1HE LYS 20 1HE LYS 20 -1.574 -15.460 6.084 173 2HE LYS 20 2HE LYS 20 -2.951 -14.422 5.706 174 1HZ LYS 20 1HZ LYS 20 -2.205 -12.919 7.405 175 2HZ LYS 20 2HZ LYS 20 -0.933 -13.897 7.782 176 3HZ LYS 20 3HZ LYS 20 -1.006 -13.168 6.304 177 H ILE 21 H ILE 21 -8.511 -14.889 6.641 178 HA ILE 21 HA ILE 21 -10.075 -16.196 7.512 179 HB ILE 21 HB ILE 21 -8.022 -18.379 8.015 180 1HG1 ILE 21 1HG1 ILE 21 -7.831 -17.826 5.668 181 2HG1 ILE 21 2HG1 ILE 21 -8.704 -19.338 5.862 182 1HG2 ILE 21 1HG2 ILE 21 -10.004 -19.853 7.791 183 2HG2 ILE 21 2HG2 ILE 21 -10.088 -18.774 9.186 184 3HG2 ILE 21 3HG2 ILE 21 -11.046 -18.416 7.741 185 1HD1 ILE 21 1HD1 ILE 21 -9.940 -16.624 5.209 186 2HD1 ILE 21 2HD1 ILE 21 -9.724 -18.003 4.123 187 3HD1 ILE 21 3HD1 ILE 21 -10.864 -18.123 5.470 188 H ILE 22 H ILE 22 -7.147 -16.612 9.507 189 HA ILE 22 HA ILE 22 -8.725 -16.060 11.983 190 HB ILE 22 HB ILE 22 -6.706 -16.645 13.191 191 1HG1 ILE 22 1HG1 ILE 22 -5.440 -17.318 10.489 192 2HG1 ILE 22 2HG1 ILE 22 -5.020 -15.920 11.492 193 1HG2 ILE 22 1HG2 ILE 22 -7.399 -18.781 11.129 194 2HG2 ILE 22 2HG2 ILE 22 -6.826 -19.031 12.791 195 3HG2 ILE 22 3HG2 ILE 22 -8.425 -18.342 12.510 196 1HD1 ILE 22 1HD1 ILE 22 -4.635 -18.840 12.234 197 2HD1 ILE 22 2HD1 ILE 22 -3.393 -17.635 11.870 198 3HD1 ILE 22 3HD1 ILE 22 -4.372 -17.470 13.342 199 1H ASN 1 1H ASN 1 8.048 15.910 -5.056 200 2H ASN 1 2H ASN 1 7.671 14.412 -4.490 201 3H ASN 1 3H ASN 1 9.052 15.165 -3.977 202 HA ASN 1 HA ASN 1 7.419 15.227 -2.288 203 1HB ASN 1 1HB ASN 1 9.008 17.148 -2.628 204 2HB ASN 1 2HB ASN 1 7.756 17.971 -3.575 205 1HD2 ASN 1 1HD2 ASN 1 8.038 19.720 -1.926 206 2HD2 ASN 1 2HD2 ASN 1 7.184 19.539 -0.399 207 H LEU 2 H LEU 2 5.367 16.110 -1.518 208 HA LEU 2 HA LEU 2 3.075 15.905 -1.625 209 1HB LEU 2 1HB LEU 2 3.510 17.988 -3.796 210 2HB LEU 2 2HB LEU 2 2.024 17.735 -2.859 211 HG LEU 2 HG LEU 2 4.718 18.689 -1.802 212 1HD1 LEU 2 1HD1 LEU 2 2.029 20.088 -2.067 213 2HD1 LEU 2 2HD1 LEU 2 3.519 20.786 -1.397 214 3HD1 LEU 2 3HD1 LEU 2 3.444 20.345 -3.112 215 1HD2 LEU 2 1HD2 LEU 2 2.106 18.156 -0.314 216 2HD2 LEU 2 2HD2 LEU 2 3.681 17.376 -0.023 217 3HD2 LEU 2 3HD2 LEU 2 3.469 19.089 0.340 218 H VAL 3 H VAL 3 2.366 16.692 -4.860 219 HA VAL 3 HA VAL 3 0.911 14.373 -5.346 220 HB VAL 3 HB VAL 3 0.589 16.485 -6.475 221 1HG1 VAL 3 1HG1 VAL 3 2.964 15.884 -8.278 222 2HG1 VAL 3 2HG1 VAL 3 1.891 17.283 -8.304 223 3HG1 VAL 3 3HG1 VAL 3 3.005 17.067 -6.948 224 1HG2 VAL 3 1HG2 VAL 3 -0.382 14.458 -7.432 225 2HG2 VAL 3 2HG2 VAL 3 0.060 15.607 -8.703 226 3HG2 VAL 3 3HG2 VAL 3 1.081 14.186 -8.409 227 H SER 4 H SER 4 4.194 15.121 -6.591 228 HA SER 4 HA SER 4 4.751 12.447 -7.595 229 1HB SER 4 1HB SER 4 7.131 13.514 -7.581 230 2HB SER 4 2HB SER 4 5.909 14.141 -8.697 231 HG SER 4 HG SER 4 6.215 15.310 -6.137 232 H GLY 5 H GLY 5 4.261 11.117 -5.894 233 1HA GLY 5 1HA GLY 5 5.813 10.014 -4.044 234 2HA GLY 5 2HA GLY 5 5.441 11.553 -3.228 235 H LEU 6 H LEU 6 3.023 12.182 -3.435 236 HA LEU 6 HA LEU 6 1.394 10.397 -2.021 237 1HB LEU 6 1HB LEU 6 0.954 12.809 -2.127 238 2HB LEU 6 2HB LEU 6 0.658 12.698 -3.863 239 HG LEU 6 HG LEU 6 -1.373 11.374 -3.491 240 1HD1 LEU 6 1HD1 LEU 6 -0.769 10.153 -1.420 241 2HD1 LEU 6 2HD1 LEU 6 -0.733 11.690 -0.525 242 3HD1 LEU 6 3HD1 LEU 6 -2.259 11.067 -1.196 243 1HD2 LEU 6 1HD2 LEU 6 -2.722 13.131 -2.446 244 2HD2 LEU 6 2HD2 LEU 6 -1.265 13.868 -1.748 245 3HD2 LEU 6 3HD2 LEU 6 -1.493 13.840 -3.510 246 H ILE 7 H ILE 7 1.237 11.080 -5.608 247 HA ILE 7 HA ILE 7 -0.951 9.270 -5.902 248 HB ILE 7 HB ILE 7 -0.691 9.378 -8.255 249 1HG1 ILE 7 1HG1 ILE 7 2.008 10.707 -7.809 250 2HG1 ILE 7 2HG1 ILE 7 1.706 9.120 -8.540 251 1HG2 ILE 7 1HG2 ILE 7 -1.643 11.284 -6.940 252 2HG2 ILE 7 2HG2 ILE 7 -0.074 12.102 -7.057 253 3HG2 ILE 7 3HG2 ILE 7 -1.018 11.754 -8.520 254 1HD1 ILE 7 1HD1 ILE 7 2.144 10.672 -10.297 255 2HD1 ILE 7 2HD1 ILE 7 0.422 10.242 -10.366 256 3HD1 ILE 7 3HD1 ILE 7 0.933 11.815 -9.700 257 H GLU 8 H GLU 8 2.538 8.659 -6.195 258 HA GLU 8 HA GLU 8 2.388 5.925 -6.990 259 1HB GLU 8 1HB GLU 8 4.506 7.418 -5.359 260 2HB GLU 8 2HB GLU 8 4.666 5.791 -6.015 261 1HG GLU 8 1HG GLU 8 5.795 7.179 -7.543 262 2HG GLU 8 2HG GLU 8 4.287 6.718 -8.336 263 H ALA 9 H ALA 9 2.799 7.333 -3.676 264 HA ALA 9 HA ALA 9 2.708 4.828 -2.335 265 1HB ALA 9 1HB ALA 9 1.934 7.561 -1.240 266 2HB ALA 9 2HB ALA 9 2.489 6.134 -0.327 267 3HB ALA 9 3HB ALA 9 3.599 6.967 -1.422 268 H ARG 10 H ARG 10 0.107 7.173 -2.993 269 HA ARG 10 HA ARG 10 -2.064 5.818 -1.789 270 1HB ARG 10 1HB ARG 10 -2.140 8.150 -2.526 271 2HB ARG 10 2HB ARG 10 -1.925 7.657 -4.208 272 1HG ARG 10 1HG ARG 10 -4.204 8.271 -3.797 273 2HG ARG 10 2HG ARG 10 -4.141 6.563 -4.219 274 1HD ARG 10 1HD ARG 10 -4.208 7.513 -1.318 275 2HD ARG 10 2HD ARG 10 -5.676 7.334 -2.300 276 HE ARG 10 HE ARG 10 -4.111 4.929 -2.446 277 1HH1 ARG 10 1HH1 ARG 10 -6.245 6.675 -0.254 278 2HH1 ARG 10 2HH1 ARG 10 -6.915 5.222 0.454 279 1HH2 ARG 10 1HH2 ARG 10 -4.954 3.082 -1.526 280 2HH2 ARG 10 2HH2 ARG 10 -6.167 3.162 -0.270 281 H LYS 11 H LYS 11 -0.913 5.693 -5.231 282 HA LYS 11 HA LYS 11 -2.746 3.751 -6.140 283 1HB LYS 11 1HB LYS 11 -1.351 5.164 -7.553 284 2HB LYS 11 2HB LYS 11 0.106 4.280 -7.051 285 1HG LYS 11 1HG LYS 11 -0.948 2.178 -8.017 286 2HG LYS 11 2HG LYS 11 -2.281 3.179 -8.613 287 1HD LYS 11 1HD LYS 11 0.680 3.465 -9.341 288 2HD LYS 11 2HD LYS 11 -0.569 2.712 -10.345 289 1HE LYS 11 1HE LYS 11 -1.797 4.918 -10.393 290 2HE LYS 11 2HE LYS 11 -0.428 5.655 -9.534 291 1HZ LYS 11 1HZ LYS 11 0.987 5.006 -11.332 292 2HZ LYS 11 2HZ LYS 11 -0.279 4.332 -12.144 293 3HZ LYS 11 3HZ LYS 11 -0.246 5.958 -11.874 294 H TYR 12 H TYR 12 0.545 3.297 -4.732 295 HA TYR 12 HA TYR 12 0.602 0.470 -4.848 296 1HB TYR 12 1HB TYR 12 2.572 1.764 -4.361 297 2HB TYR 12 2HB TYR 12 1.851 2.438 -2.908 298 HD1 TYR 12 1HD TYR 12 2.564 -0.967 -4.387 299 HD2 TYR 12 2HD TYR 12 2.561 1.527 -0.868 300 HE1 TYR 12 1HE TYR 12 3.481 -2.842 -3.053 301 HE2 TYR 12 2HE TYR 12 3.456 -0.377 0.465 302 HH TYR 12 HH TYR 12 4.192 -3.529 -1.007 303 H LEU 13 H LEU 13 -0.371 2.494 -2.008 304 HA LEU 13 HA LEU 13 -1.325 0.410 -0.380 305 1HB LEU 13 1HB LEU 13 -1.040 2.674 0.447 306 2HB LEU 13 2HB LEU 13 -2.258 3.290 -0.674 307 HG LEU 13 HG LEU 13 -4.025 1.994 0.519 308 1HD1 LEU 13 1HD1 LEU 13 -2.635 0.168 1.447 309 2HD1 LEU 13 2HD1 LEU 13 -1.834 1.338 2.524 310 3HD1 LEU 13 3HD1 LEU 13 -3.565 0.994 2.703 311 1HD2 LEU 13 1HD2 LEU 13 -4.118 3.399 2.495 312 2HD2 LEU 13 2HD2 LEU 13 -2.381 3.736 2.383 313 3HD2 LEU 13 3HD2 LEU 13 -3.492 4.354 1.137 314 H GLU 14 H GLU 14 -3.152 2.320 -2.775 315 HA GLU 14 HA GLU 14 -5.703 1.155 -2.507 316 1HB GLU 14 1HB GLU 14 -5.225 3.210 -3.753 317 2HB GLU 14 2HB GLU 14 -4.263 2.307 -4.923 318 1HG GLU 14 1HG GLU 14 -6.325 1.047 -5.597 319 2HG GLU 14 2HG GLU 14 -7.266 2.027 -4.461 320 H GLN 15 H GLN 15 -3.140 0.210 -4.885 321 HA GLN 15 HA GLN 15 -4.614 -2.046 -5.873 322 1HB GLN 15 1HB GLN 15 -1.813 -1.009 -6.117 323 2HB GLN 15 2HB GLN 15 -2.091 -2.698 -6.524 324 1HG GLN 15 1HG GLN 15 -2.296 -1.068 -8.465 325 2HG GLN 15 2HG GLN 15 -3.594 -2.242 -8.243 326 1HE2 GLN 15 1HE2 GLN 15 -2.929 1.095 -6.935 327 2HE2 GLN 15 2HE2 GLN 15 -4.523 1.693 -7.411 328 H LEU 16 H LEU 16 -2.061 -1.887 -3.347 329 HA LEU 16 HA LEU 16 -1.989 -4.679 -2.846 330 1HB LEU 16 1HB LEU 16 -0.577 -2.544 -1.970 331 2HB LEU 16 2HB LEU 16 -1.616 -2.736 -0.570 332 HG LEU 16 HG LEU 16 0.503 -3.807 -0.246 333 1HD1 LEU 16 1HD1 LEU 16 -0.107 -6.103 0.291 334 2HD1 LEU 16 2HD1 LEU 16 -1.413 -4.982 0.709 335 3HD1 LEU 16 3HD1 LEU 16 -1.543 -6.006 -0.744 336 1HD2 LEU 16 1HD2 LEU 16 1.449 -5.531 -1.627 337 2HD2 LEU 16 2HD2 LEU 16 0.046 -5.549 -2.702 338 3HD2 LEU 16 3HD2 LEU 16 1.102 -4.122 -2.643 339 H HIS 17 H HIS 17 -3.975 -2.129 -1.278 340 HA HIS 17 HA HIS 17 -5.512 -3.814 0.399 341 1HB HIS 17 1HB HIS 17 -5.398 -1.329 0.538 342 2HB HIS 17 2HB HIS 17 -6.335 -1.216 -0.949 343 HD1 HIS 17 1HD HIS 17 -8.009 -3.938 0.728 344 HD2 HIS 17 2HD HIS 17 -7.727 0.239 1.235 345 HE1 HIS 17 1HE HIS 17 -10.065 -3.206 2.062 346 H ARG 18 H ARG 18 -6.191 -2.715 -2.971 347 HA ARG 18 HA ARG 18 -8.677 -4.024 -3.310 348 1HB ARG 18 1HB ARG 18 -6.486 -3.237 -5.244 349 2HB ARG 18 2HB ARG 18 -7.950 -4.063 -5.789 350 1HG ARG 18 1HG ARG 18 -9.386 -2.318 -4.978 351 2HG ARG 18 2HG ARG 18 -8.043 -1.477 -4.188 352 1HD ARG 18 1HD ARG 18 -6.963 -1.091 -6.352 353 2HD ARG 18 2HD ARG 18 -8.245 -1.983 -7.193 354 HE ARG 18 HE ARG 18 -9.594 -0.040 -5.755 355 1HH1 ARG 18 1HH1 ARG 18 -7.000 0.115 -8.190 356 2HH1 ARG 18 2HH1 ARG 18 -7.630 1.581 -8.890 357 1HH2 ARG 18 1HH2 ARG 18 -10.296 1.891 -6.639 358 2HH2 ARG 18 2HH2 ARG 18 -9.439 2.629 -7.970 359 H LYS 19 H LYS 19 -5.358 -5.316 -3.983 360 HA LYS 19 HA LYS 19 -6.202 -7.897 -4.808 361 1HB LYS 19 1HB LYS 19 -3.914 -6.995 -5.011 362 2HB LYS 19 2HB LYS 19 -3.694 -7.123 -3.259 363 1HG LYS 19 1HG LYS 19 -4.012 -9.588 -3.394 364 2HG LYS 19 2HG LYS 19 -4.288 -9.453 -5.143 365 1HD LYS 19 1HD LYS 19 -2.003 -8.507 -5.427 366 2HD LYS 19 2HD LYS 19 -1.734 -8.630 -3.677 367 1HE LYS 19 1HE LYS 19 -2.052 -11.098 -3.801 368 2HE LYS 19 2HE LYS 19 -2.327 -10.975 -5.549 369 1HZ LYS 19 1HZ LYS 19 -0.115 -10.100 -5.773 370 2HZ LYS 19 2HZ LYS 19 0.141 -10.214 -4.149 371 3HZ LYS 19 3HZ LYS 19 -0.080 -11.579 -5.046 372 H LEU 20 H LEU 20 -5.320 -6.786 -1.496 373 HA LEU 20 HA LEU 20 -5.995 -9.238 -0.193 374 1HB LEU 20 1HB LEU 20 -5.837 -6.381 0.803 375 2HB LEU 20 2HB LEU 20 -6.056 -7.765 1.879 376 HG LEU 20 HG LEU 20 -3.710 -7.629 -0.073 377 1HD1 LEU 20 1HD1 LEU 20 -2.387 -6.808 1.885 378 2HD1 LEU 20 2HD1 LEU 20 -3.568 -5.644 1.248 379 3HD1 LEU 20 3HD1 LEU 20 -3.916 -6.528 2.747 380 1HD2 LEU 20 1HD2 LEU 20 -4.150 -9.144 2.536 381 2HD2 LEU 20 2HD2 LEU 20 -4.173 -9.864 0.914 382 3HD2 LEU 20 3HD2 LEU 20 -2.676 -9.177 1.552 383 H LYS 21 H LYS 21 -8.087 -6.493 -1.051 384 HA LYS 21 HA LYS 21 -10.436 -7.545 0.271 385 1HB LYS 21 1HB LYS 21 -10.149 -5.196 -0.468 386 2HB LYS 21 2HB LYS 21 -10.222 -5.722 -2.157 387 1HG LYS 21 1HG LYS 21 -12.515 -6.600 -1.798 388 2HG LYS 21 2HG LYS 21 -12.429 -6.141 -0.086 389 1HD LYS 21 1HD LYS 21 -12.132 -3.755 -0.745 390 2HD LYS 21 2HD LYS 21 -12.210 -4.220 -2.456 391 1HE LYS 21 1HE LYS 21 -14.510 -5.112 -2.110 392 2HE LYS 21 2HE LYS 21 -14.433 -4.649 -0.399 393 1HZ LYS 21 1HZ LYS 21 -14.182 -2.375 -1.092 394 2HZ LYS 21 2HZ LYS 21 -14.254 -2.805 -2.680 395 3HZ LYS 21 3HZ LYS 21 -15.568 -3.018 -1.709 396 H ASN 22 H ASN 22 -9.265 -7.764 -3.110 397 HA ASN 22 HA ASN 22 -11.320 -9.337 -4.175 398 1HB ASN 22 1HB ASN 22 -9.393 -8.074 -5.324 399 2HB ASN 22 2HB ASN 22 -8.419 -9.524 -5.067 400 1HD2 ASN 22 1HD2 ASN 22 -10.714 -11.456 -5.656 401 2HD2 ASN 22 2HD2 ASN 22 -10.966 -11.222 -7.382 402 H CYS 23 H CYS 23 -8.419 -10.385 -2.376 403 HA CYS 23 HA CYS 23 -8.555 -13.162 -2.579 404 1HB CYS 23 1HB CYS 23 -6.919 -11.962 -1.208 405 2HB CYS 23 2HB CYS 23 -8.199 -11.491 -0.079 406 H LYS 24 H LYS 24 -10.755 -11.071 -0.772 407 HA LYS 24 HA LYS 24 -12.660 -11.233 0.210 408 1HB LYS 24 1HB LYS 24 -14.413 -11.820 -1.142 409 2HB LYS 24 2HB LYS 24 -13.067 -11.415 -2.194 410 1HG LYS 24 1HG LYS 24 -13.876 -13.216 -3.291 411 2HG LYS 24 2HG LYS 24 -12.713 -14.056 -2.279 412 1HD LYS 24 1HD LYS 24 -14.665 -14.467 -0.619 413 2HD LYS 24 2HD LYS 24 -15.733 -13.794 -1.847 414 1HE LYS 24 1HE LYS 24 -13.905 -16.223 -2.198 415 2HE LYS 24 2HE LYS 24 -15.646 -16.284 -1.888 416 1HZ LYS 24 1HZ LYS 24 -14.374 -15.096 -4.251 417 2HZ LYS 24 2HZ LYS 24 -15.184 -16.528 -4.198 418 3HZ LYS 24 3HZ LYS 24 -15.993 -15.114 -3.949 419 H VAL 25 H VAL 25 -11.679 -14.649 -0.109 420 HA VAL 25 HA VAL 25 -13.616 -15.736 1.614 421 HB VAL 25 HB VAL 25 -12.124 -16.994 0.110 422 1HG1 VAL 25 1HG1 VAL 25 -9.947 -16.584 2.213 423 2HG1 VAL 25 2HG1 VAL 25 -9.856 -17.609 0.774 424 3HG1 VAL 25 3HG1 VAL 25 -9.966 -15.853 0.600 425 1HG2 VAL 25 1HG2 VAL 25 -13.365 -18.145 1.907 426 2HG2 VAL 25 2HG2 VAL 25 -11.828 -18.946 1.536 427 3HG2 VAL 25 3HG2 VAL 25 -11.976 -17.954 2.997 428 1H GLU 1 1H GLU 1 7.297 12.472 -1.743 429 2H GLU 1 2H GLU 1 8.933 12.379 -1.914 430 3H GLU 1 3H GLU 1 8.260 12.433 -0.409 431 HA GLU 1 HA GLU 1 7.906 10.314 -2.387 432 1HB GLU 1 1HB GLU 1 9.243 8.920 -0.644 433 2HB GLU 1 2HB GLU 1 10.033 9.960 -1.807 434 1HG GLU 1 1HG GLU 1 11.149 10.177 0.303 435 2HG GLU 1 2HG GLU 1 10.433 11.718 -0.146 436 H ASN 2 H ASN 2 7.797 9.279 0.941 437 HA ASN 2 HA ASN 2 5.059 8.479 0.678 438 1HB ASN 2 1HB ASN 2 7.031 8.645 2.959 439 2HB ASN 2 2HB ASN 2 5.336 8.264 3.258 440 1HD2 ASN 2 1HD2 ASN 2 4.359 6.397 2.299 441 2HD2 ASN 2 2HD2 ASN 2 5.394 5.047 1.803 442 H ARG 3 H ARG 3 3.448 9.813 0.442 443 HA ARG 3 HA ARG 3 3.020 12.088 2.313 444 1HB ARG 3 1HB ARG 3 2.498 11.926 -0.675 445 2HB ARG 3 2HB ARG 3 1.901 13.240 0.350 446 1HG ARG 3 1HG ARG 3 4.853 12.550 -0.047 447 2HG ARG 3 2HG ARG 3 3.982 13.751 -0.983 448 1HD ARG 3 1HD ARG 3 3.465 15.055 1.009 449 2HD ARG 3 2HD ARG 3 4.246 13.865 2.055 450 HE ARG 3 HE ARG 3 5.562 15.911 0.464 451 1HH1 ARG 3 1HH1 ARG 3 6.066 12.660 1.886 452 2HH1 ARG 3 2HH1 ARG 3 7.802 12.882 1.876 453 1HH2 ARG 3 1HH2 ARG 3 7.711 16.085 0.492 454 2HH2 ARG 3 2HH2 ARG 3 8.717 14.921 1.367 455 H GLU 4 H GLU 4 0.981 12.252 3.092 456 HA GLU 4 HA GLU 4 -0.791 11.363 4.136 457 1HB GLU 4 1HB GLU 4 -1.467 10.190 1.416 458 2HB GLU 4 2HB GLU 4 -2.505 10.117 2.845 459 1HG GLU 4 1HG GLU 4 -2.536 12.581 3.009 460 2HG GLU 4 2HG GLU 4 -1.461 12.708 1.611 461 H VAL 5 H VAL 5 0.301 8.671 2.060 462 HA VAL 5 HA VAL 5 -0.011 6.692 4.180 463 HB VAL 5 HB VAL 5 1.122 6.492 1.378 464 1HG1 VAL 5 1HG1 VAL 5 0.671 4.073 1.620 465 2HG1 VAL 5 2HG1 VAL 5 1.873 4.614 2.796 466 3HG1 VAL 5 3HG1 VAL 5 0.195 4.321 3.311 467 1HG2 VAL 5 1HG2 VAL 5 -1.667 5.960 2.448 468 2HG2 VAL 5 2HG2 VAL 5 -1.205 7.192 1.258 469 3HG2 VAL 5 3HG2 VAL 5 -1.095 5.483 0.834 470 HA PRO 6 HA PRO 6 4.204 7.770 5.407 471 1HB PRO 6 1HB PRO 6 4.389 6.425 7.786 472 2HB PRO 6 2HB PRO 6 3.257 7.788 7.556 473 1HG PRO 6 1HG PRO 6 2.648 4.828 7.291 474 2HG PRO 6 2HG PRO 6 1.787 6.034 8.288 475 1HD PRO 6 1HD PRO 6 0.939 5.340 5.790 476 2HD PRO 6 2HD PRO 6 0.792 7.023 6.377 477 HA PRO 7 HA PRO 7 6.836 4.484 3.902 478 1HB PRO 7 1HB PRO 7 9.130 4.701 5.379 479 2HB PRO 7 2HB PRO 7 8.650 5.910 4.157 480 1HG PRO 7 1HG PRO 7 8.192 6.046 7.150 481 2HG PRO 7 2HG PRO 7 8.885 7.302 6.086 482 1HD PRO 7 1HD PRO 7 6.282 7.353 6.786 483 2HD PRO 7 2HD PRO 7 6.791 7.788 5.132 484 H GLY 8 H GLY 8 6.341 4.776 7.387 485 1HA GLY 8 1HA GLY 8 6.770 2.268 8.437 486 2HA GLY 8 2HA GLY 8 5.389 3.296 8.837 487 H PHE 9 H PHE 9 4.084 3.186 6.186 488 HA PHE 9 HA PHE 9 2.629 0.704 6.533 489 1HB PHE 9 1HB PHE 9 1.466 2.609 5.648 490 2HB PHE 9 2HB PHE 9 2.647 2.817 4.356 491 HD1 PHE 9 1HD PHE 9 2.079 2.050 2.219 492 HD2 PHE 9 2HD PHE 9 0.483 0.050 5.684 493 HE1 PHE 9 1HE PHE 9 0.903 0.435 0.751 494 HE2 PHE 9 2HE PHE 9 -0.626 -1.606 4.217 495 HZ PHE 9 HZ PHE 9 -0.374 -1.440 1.737 496 H THR 10 H THR 10 4.803 1.853 3.886 497 HA THR 10 HA THR 10 4.952 -0.560 2.457 498 HB THR 10 HB THR 10 7.162 1.519 2.790 499 HG1 THR 10 1HG THR 10 4.952 1.541 1.021 500 1HG2 THR 10 1HG2 THR 10 6.346 -0.270 0.444 501 2HG2 THR 10 2HG2 THR 10 7.613 0.973 0.413 502 3HG2 THR 10 3HG2 THR 10 7.808 -0.463 1.436 503 H ALA 11 H ALA 11 7.046 0.647 5.095 504 HA ALA 11 HA ALA 11 8.807 -1.574 5.268 505 1HB ALA 11 1HB ALA 11 9.175 0.653 6.297 506 2HB ALA 11 2HB ALA 11 7.895 0.307 7.478 507 3HB ALA 11 3HB ALA 11 9.376 -0.677 7.449 508 H LEU 12 H LEU 12 5.708 -0.947 7.027 509 HA LEU 12 HA LEU 12 5.607 -3.361 8.478 510 1HB LEU 12 1HB LEU 12 4.177 -1.463 8.876 511 2HB LEU 12 2HB LEU 12 3.307 -1.705 7.362 512 HG LEU 12 HG LEU 12 3.415 -3.816 9.560 513 1HD1 LEU 12 1HD1 LEU 12 1.230 -2.889 10.311 514 2HD1 LEU 12 2HD1 LEU 12 2.545 -1.724 10.513 515 3HD1 LEU 12 3HD1 LEU 12 1.426 -1.558 9.148 516 1HD2 LEU 12 1HD2 LEU 12 2.499 -4.742 7.468 517 2HD2 LEU 12 2HD2 LEU 12 1.164 -4.436 8.559 518 3HD2 LEU 12 3HD2 LEU 12 1.486 -3.302 7.236 519 H ILE 13 H ILE 13 4.213 -2.697 5.184 520 HA ILE 13 HA ILE 13 3.329 -5.362 4.734 521 HB ILE 13 HB ILE 13 4.249 -3.236 2.774 522 1HG1 ILE 13 1HG1 ILE 13 2.235 -2.646 4.101 523 2HG1 ILE 13 2HG1 ILE 13 1.934 -2.809 2.374 524 1HG2 ILE 13 1HG2 ILE 13 2.990 -5.949 2.240 525 2HG2 ILE 13 2HG2 ILE 13 2.909 -4.602 1.087 526 3HG2 ILE 13 3HG2 ILE 13 4.477 -5.269 1.554 527 1HD1 ILE 13 1HD1 ILE 13 1.189 -4.860 4.511 528 2HD1 ILE 13 2HD1 ILE 13 0.101 -3.776 3.643 529 3HD1 ILE 13 3HD1 ILE 13 0.925 -5.062 2.761 530 H LYS 14 H LYS 14 6.510 -3.935 3.812 531 HA LYS 14 HA LYS 14 7.685 -6.292 2.786 532 1HB LYS 14 1HB LYS 14 8.654 -4.032 2.663 533 2HB LYS 14 2HB LYS 14 8.965 -4.050 4.404 534 1HG LYS 14 1HG LYS 14 10.502 -5.975 4.124 535 2HG LYS 14 2HG LYS 14 10.162 -5.996 2.381 536 1HD LYS 14 1HD LYS 14 11.028 -3.667 2.191 537 2HD LYS 14 2HD LYS 14 11.391 -3.652 3.923 538 1HE LYS 14 1HE LYS 14 12.602 -5.590 1.886 539 2HE LYS 14 2HE LYS 14 13.390 -4.127 2.494 540 1HZ LYS 14 1HZ LYS 14 14.119 -6.037 3.684 541 2HZ LYS 14 2HZ LYS 14 13.279 -5.047 4.698 542 3HZ LYS 14 3HZ LYS 14 12.583 -6.427 4.128 543 H THR 15 H THR 15 7.526 -5.151 6.168 544 HA THR 15 HA THR 15 8.909 -7.395 7.298 545 HB THR 15 HB THR 15 6.965 -5.506 8.675 546 HG1 THR 15 1HG THR 15 8.651 -4.377 7.686 547 1HG2 THR 15 1HG2 THR 15 8.336 -6.032 10.653 548 2HG2 THR 15 2HG2 THR 15 7.593 -7.509 10.020 549 3HG2 THR 15 3HG2 THR 15 9.307 -7.173 9.702 550 H LEU 16 H LEU 16 5.486 -6.865 6.512 551 HA LEU 16 HA LEU 16 4.454 -9.163 7.871 552 1HB LEU 16 1HB LEU 16 3.237 -7.114 6.965 553 2HB LEU 16 2HB LEU 16 3.270 -7.868 5.377 554 HG LEU 16 HG LEU 16 2.139 -9.315 7.811 555 1HD1 LEU 16 1HD1 LEU 16 -0.070 -8.413 7.238 556 2HD1 LEU 16 2HD1 LEU 16 1.040 -7.116 7.696 557 3HD1 LEU 16 3HD1 LEU 16 0.663 -7.385 5.981 558 1HD2 LEU 16 1HD2 LEU 16 2.414 -10.712 5.784 559 2HD2 LEU 16 2HD2 LEU 16 0.706 -10.406 6.087 560 3HD2 LEU 16 3HD2 LEU 16 1.550 -9.500 4.816 561 H ARG 17 H ARG 17 5.499 -8.593 4.493 562 HA ARG 17 HA ARG 17 5.316 -11.257 3.527 563 1HB ARG 17 1HB ARG 17 5.787 -9.138 2.258 564 2HB ARG 17 2HB ARG 17 7.450 -9.203 2.816 565 1HG ARG 17 1HG ARG 17 6.003 -11.302 1.121 566 2HG ARG 17 2HG ARG 17 7.121 -10.074 0.524 567 1HD ARG 17 1HD ARG 17 7.785 -12.482 2.236 568 2HD ARG 17 2HD ARG 17 8.319 -12.131 0.604 569 HE ARG 17 HE ARG 17 9.253 -9.961 1.995 570 1HH1 ARG 17 1HH1 ARG 17 9.685 -13.463 2.450 571 2HH1 ARG 17 2HH1 ARG 17 11.270 -13.265 3.150 572 1HH2 ARG 17 1HH2 ARG 17 11.244 -9.760 2.970 573 2HH2 ARG 17 2HH2 ARG 17 12.159 -11.173 3.449 574 H LYS 18 H LYS 18 8.131 -9.629 5.128 575 HA LYS 18 HA LYS 18 9.783 -11.873 5.349 576 1HB LYS 18 1HB LYS 18 10.325 -9.499 5.840 577 2HB LYS 18 2HB LYS 18 9.547 -9.647 7.410 578 1HG LYS 18 1HG LYS 18 11.811 -11.472 6.489 579 2HG LYS 18 2HG LYS 18 12.115 -9.901 7.220 580 1HD LYS 18 1HD LYS 18 10.680 -12.204 8.638 581 2HD LYS 18 2HD LYS 18 12.358 -11.724 8.827 582 1HE LYS 18 1HE LYS 18 11.564 -9.423 9.552 583 2HE LYS 18 2HE LYS 18 9.910 -10.074 9.591 584 1HZ LYS 18 1HZ LYS 18 10.583 -11.658 11.178 585 2HZ LYS 18 2HZ LYS 18 12.164 -11.185 11.104 586 3HZ LYS 18 3HZ LYS 18 11.020 -10.179 11.727 587 H CYS 19 H CYS 19 7.461 -10.804 7.888 588 HA CYS 19 HA CYS 19 7.624 -12.922 9.682 589 1HB CYS 19 1HB CYS 19 6.278 -11.055 10.204 590 2HB CYS 19 2HB CYS 19 5.303 -11.216 8.754 591 H LYS 20 H LYS 20 5.484 -12.748 6.827 592 HA LYS 20 HA LYS 20 4.457 -15.421 7.074 593 1HB LYS 20 1HB LYS 20 3.340 -13.453 6.053 594 2HB LYS 20 2HB LYS 20 4.504 -13.488 4.721 595 1HG LYS 20 1HG LYS 20 3.670 -15.687 4.017 596 2HG LYS 20 2HG LYS 20 2.588 -15.759 5.426 597 1HD LYS 20 1HD LYS 20 1.439 -13.689 4.606 598 2HD LYS 20 2HD LYS 20 2.505 -13.662 3.194 599 1HE LYS 20 1HE LYS 20 0.566 -15.924 3.901 600 2HE LYS 20 2HE LYS 20 0.266 -14.654 2.703 601 1HZ LYS 20 1HZ LYS 20 2.412 -16.649 2.590 602 2HZ LYS 20 2HZ LYS 20 1.061 -16.611 1.651 603 3HZ LYS 20 3HZ LYS 20 2.199 -15.427 1.505 604 H ILE 21 H ILE 21 7.482 -14.286 5.877 605 HA ILE 21 HA ILE 21 9.209 -15.178 4.802 606 HB ILE 21 HB ILE 21 7.777 -17.865 4.768 607 1HG1 ILE 21 1HG1 ILE 21 8.086 -17.040 7.093 608 2HG1 ILE 21 2HG1 ILE 21 8.997 -18.494 6.711 609 1HG2 ILE 21 1HG2 ILE 21 10.664 -17.094 4.240 610 2HG2 ILE 21 2HG2 ILE 21 10.086 -18.756 4.505 611 3HG2 ILE 21 3HG2 ILE 21 9.510 -17.830 3.113 612 1HD1 ILE 21 1HD1 ILE 21 11.078 -17.195 6.523 613 2HD1 ILE 21 2HD1 ILE 21 10.184 -15.686 6.816 614 3HD1 ILE 21 3HD1 ILE 21 10.293 -16.917 8.082 615 H ILE 22 H ILE 22 6.295 -16.667 3.374 616 HA ILE 22 HA ILE 22 7.137 -16.176 0.623 617 HB ILE 22 HB ILE 22 4.450 -16.931 1.828 618 1HG1 ILE 22 1HG1 ILE 22 6.582 -18.637 0.457 619 2HG1 ILE 22 2HG1 ILE 22 6.274 -18.591 2.198 620 1HG2 ILE 22 1HG2 ILE 22 5.367 -17.002 -1.084 621 2HG2 ILE 22 2HG2 ILE 22 3.803 -17.577 -0.474 622 3HG2 ILE 22 3HG2 ILE 22 4.179 -15.867 -0.414 623 1HD1 ILE 22 1HD1 ILE 22 5.206 -20.535 1.364 624 2HD1 ILE 22 2HD1 ILE 22 3.929 -19.376 1.779 625 3HD1 ILE 22 3HD1 ILE 22 4.381 -19.650 0.077 626 1H ASN 1 1H ASN 1 -9.866 14.563 19.588 627 2H ASN 1 2H ASN 1 -8.855 13.679 18.621 628 3H ASN 1 3H ASN 1 -8.331 15.085 19.305 629 HA ASN 1 HA ASN 1 -10.518 14.912 17.363 630 1HB ASN 1 1HB ASN 1 -10.692 16.783 18.936 631 2HB ASN 1 2HB ASN 1 -9.060 17.319 18.528 632 1HD2 ASN 1 1HD2 ASN 1 -8.705 17.790 16.102 633 2HD2 ASN 1 2HD2 ASN 1 -10.049 18.631 15.309 634 H LEU 2 H LEU 2 -9.401 13.656 15.862 635 HA LEU 2 HA LEU 2 -8.170 13.237 14.030 636 1HB LEU 2 1HB LEU 2 -7.200 16.118 14.069 637 2HB LEU 2 2HB LEU 2 -7.144 14.983 12.730 638 HG LEU 2 HG LEU 2 -9.703 16.069 13.998 639 1HD1 LEU 2 1HD1 LEU 2 -8.414 17.778 12.777 640 2HD1 LEU 2 2HD1 LEU 2 -8.347 16.718 11.351 641 3HD1 LEU 2 3HD1 LEU 2 -9.905 17.356 11.917 642 1HD2 LEU 2 1HD2 LEU 2 -10.795 15.087 11.976 643 2HD2 LEU 2 2HD2 LEU 2 -9.262 14.303 11.547 644 3HD2 LEU 2 3HD2 LEU 2 -10.120 13.848 13.037 645 H VAL 3 H VAL 3 -6.104 15.363 16.061 646 HA VAL 3 HA VAL 3 -3.680 13.975 15.609 647 HB VAL 3 HB VAL 3 -3.860 16.196 16.629 648 1HG1 VAL 3 1HG1 VAL 3 -5.742 15.752 18.240 649 2HG1 VAL 3 2HG1 VAL 3 -4.617 14.804 19.238 650 3HG1 VAL 3 3HG1 VAL 3 -4.335 16.529 18.974 651 1HG2 VAL 3 1HG2 VAL 3 -2.336 14.203 18.363 652 2HG2 VAL 3 2HG2 VAL 3 -1.782 14.865 16.810 653 3HG2 VAL 3 3HG2 VAL 3 -2.011 15.939 18.201 654 H SER 4 H SER 4 -6.264 13.343 17.966 655 HA SER 4 HA SER 4 -5.181 11.190 19.453 656 1HB SER 4 1HB SER 4 -7.606 10.551 19.670 657 2HB SER 4 2HB SER 4 -7.258 12.242 20.073 658 HG SER 4 HG SER 4 -9.108 11.706 18.537 659 H GLY 5 H GLY 5 -7.326 11.041 16.646 660 1HA GLY 5 1HA GLY 5 -7.160 8.375 15.860 661 2HA GLY 5 2HA GLY 5 -7.325 9.726 14.726 662 H LEU 6 H LEU 6 -4.972 11.005 14.727 663 HA LEU 6 HA LEU 6 -3.237 9.432 13.185 664 1HB LEU 6 1HB LEU 6 -3.265 11.843 13.065 665 2HB LEU 6 2HB LEU 6 -2.733 11.988 14.740 666 HG LEU 6 HG LEU 6 -0.537 11.034 14.190 667 1HD1 LEU 6 1HD1 LEU 6 0.097 10.729 11.792 668 2HD1 LEU 6 2HD1 LEU 6 -1.097 9.546 12.328 669 3HD1 LEU 6 3HD1 LEU 6 -1.609 10.929 11.334 670 1HD2 LEU 6 1HD2 LEU 6 -0.911 13.469 14.041 671 2HD2 LEU 6 2HD2 LEU 6 0.286 12.922 12.853 672 3HD2 LEU 6 3HD2 LEU 6 -1.370 13.300 12.332 673 H ILE 7 H ILE 7 -2.618 10.461 16.635 674 HA ILE 7 HA ILE 7 -0.266 8.836 16.775 675 HB ILE 7 HB ILE 7 -0.207 9.197 19.121 676 1HG1 ILE 7 1HG1 ILE 7 -3.001 10.371 18.912 677 2HG1 ILE 7 2HG1 ILE 7 -2.537 8.894 19.763 678 1HG2 ILE 7 1HG2 ILE 7 0.470 10.966 17.484 679 2HG2 ILE 7 2HG2 ILE 7 -1.094 11.759 17.741 680 3HG2 ILE 7 3HG2 ILE 7 0.055 11.587 19.080 681 1HD1 ILE 7 1HD1 ILE 7 -1.063 10.266 21.257 682 2HD1 ILE 7 2HD1 ILE 7 -1.736 11.731 20.494 683 3HD1 ILE 7 3HD1 ILE 7 -2.796 10.630 21.383 684 H GLU 8 H GLU 8 -3.646 8.069 17.651 685 HA GLU 8 HA GLU 8 -3.151 5.497 18.765 686 1HB GLU 8 1HB GLU 8 -5.255 6.750 18.947 687 2HB GLU 8 2HB GLU 8 -5.552 6.558 17.213 688 1HG GLU 8 1HG GLU 8 -5.681 4.088 17.501 689 2HG GLU 8 2HG GLU 8 -5.304 4.265 19.223 690 H ALA 9 H ALA 9 -4.003 6.390 15.384 691 HA ALA 9 HA ALA 9 -3.803 3.789 14.269 692 1HB ALA 9 1HB ALA 9 -4.956 5.629 13.177 693 2HB ALA 9 2HB ALA 9 -3.434 6.525 13.009 694 3HB ALA 9 3HB ALA 9 -3.679 4.999 12.118 695 H ARG 10 H ARG 10 -1.314 6.381 14.566 696 HA ARG 10 HA ARG 10 0.808 4.905 13.342 697 1HB ARG 10 1HB ARG 10 0.759 7.140 15.389 698 2HB ARG 10 2HB ARG 10 2.271 6.473 14.771 699 1HG ARG 10 1HG ARG 10 0.126 7.528 12.891 700 2HG ARG 10 2HG ARG 10 1.341 8.581 13.620 701 1HD ARG 10 1HD ARG 10 3.161 7.207 12.619 702 2HD ARG 10 2HD ARG 10 1.963 6.129 11.910 703 HE ARG 10 HE ARG 10 1.466 7.645 10.260 704 1HH1 ARG 10 1HH1 ARG 10 3.326 9.387 12.703 705 2HH1 ARG 10 2HH1 ARG 10 3.649 10.738 11.634 706 1HH2 ARG 10 1HH2 ARG 10 1.869 9.285 8.969 707 2HH2 ARG 10 2HH2 ARG 10 2.683 10.751 9.465 708 H LYS 11 H LYS 11 -0.086 5.132 16.847 709 HA LYS 11 HA LYS 11 1.861 3.345 17.817 710 1HB LYS 11 1HB LYS 11 0.416 4.767 19.205 711 2HB LYS 11 2HB LYS 11 -0.989 3.781 18.769 712 1HG LYS 11 1HG LYS 11 0.050 1.804 19.881 713 2HG LYS 11 2HG LYS 11 1.501 2.761 20.208 714 1HD LYS 11 1HD LYS 11 0.183 2.646 22.223 715 2HD LYS 11 2HD LYS 11 0.140 4.312 21.626 716 1HE LYS 11 1HE LYS 11 -2.120 3.948 20.694 717 2HE LYS 11 2HE LYS 11 -2.047 2.230 21.123 718 1HZ LYS 11 1HZ LYS 11 -1.930 2.884 23.418 719 2HZ LYS 11 2HZ LYS 11 -1.989 4.480 23.010 720 3HZ LYS 11 3HZ LYS 11 -3.282 3.504 22.708 721 H TYR 12 H TYR 12 -1.453 2.601 16.679 722 HA TYR 12 HA TYR 12 -1.418 -0.219 16.859 723 1HB TYR 12 1HB TYR 12 -3.434 0.946 16.485 724 2HB TYR 12 2HB TYR 12 -2.797 1.805 15.103 725 HD1 TYR 12 1HD TYR 12 -3.283 1.116 12.943 726 HD2 TYR 12 2HD TYR 12 -3.786 -1.638 16.217 727 HE1 TYR 12 1HE TYR 12 -4.566 -0.405 11.461 728 HE2 TYR 12 2HE TYR 12 -5.145 -3.120 14.744 729 HH TYR 12 HH TYR 12 -5.770 -2.330 11.328 730 H LEU 13 H LEU 13 -0.567 1.777 13.983 731 HA LEU 13 HA LEU 13 0.341 -0.270 12.289 732 1HB LEU 13 1HB LEU 13 -0.102 2.088 11.714 733 2HB LEU 13 2HB LEU 13 1.380 2.594 12.513 734 HG LEU 13 HG LEU 13 1.366 0.583 10.222 735 1HD1 LEU 13 1HD1 LEU 13 1.814 2.483 8.708 736 2HD1 LEU 13 2HD1 LEU 13 0.217 2.609 9.454 737 3HD1 LEU 13 3HD1 LEU 13 1.553 3.617 10.051 738 1HD2 LEU 13 1HD2 LEU 13 3.667 1.544 9.845 739 2HD2 LEU 13 2HD2 LEU 13 3.502 2.462 11.351 740 3HD2 LEU 13 3HD2 LEU 13 3.545 0.685 11.366 741 H GLU 14 H GLU 14 2.321 1.718 14.531 742 HA GLU 14 HA GLU 14 4.808 0.441 14.216 743 1HB GLU 14 1HB GLU 14 3.487 1.839 16.569 744 2HB GLU 14 2HB GLU 14 5.154 1.260 16.608 745 1HG GLU 14 1HG GLU 14 5.826 2.719 14.816 746 2HG GLU 14 2HG GLU 14 4.158 3.185 14.469 747 H GLN 15 H GLN 15 2.259 -0.317 16.675 748 HA GLN 15 HA GLN 15 3.621 -2.473 17.855 749 1HB GLN 15 1HB GLN 15 1.683 -1.426 18.876 750 2HB GLN 15 2HB GLN 15 0.638 -1.963 17.556 751 1HG GLN 15 1HG GLN 15 0.341 -3.351 19.549 752 2HG GLN 15 2HG GLN 15 0.949 -4.326 18.216 753 1HE2 GLN 15 1HE2 GLN 15 3.323 -4.921 18.266 754 2HE2 GLN 15 2HE2 GLN 15 4.053 -5.039 19.869 755 H LEU 16 H LEU 16 1.251 -2.559 15.134 756 HA LEU 16 HA LEU 16 1.419 -5.368 14.625 757 1HB LEU 16 1HB LEU 16 0.931 -2.996 12.787 758 2HB LEU 16 2HB LEU 16 0.803 -4.671 12.249 759 HG LEU 16 HG LEU 16 -0.862 -3.523 14.535 760 1HD1 LEU 16 1HD1 LEU 16 -1.376 -2.304 12.486 761 2HD1 LEU 16 2HD1 LEU 16 -1.487 -3.821 11.564 762 3HD1 LEU 16 3HD1 LEU 16 -2.681 -3.455 12.822 763 1HD2 LEU 16 1HD2 LEU 16 -2.311 -5.486 14.038 764 2HD2 LEU 16 2HD2 LEU 16 -1.122 -6.062 12.853 765 3HD2 LEU 16 3HD2 LEU 16 -0.709 -5.990 14.580 766 H HIS 17 H HIS 17 3.303 -2.701 13.108 767 HA HIS 17 HA HIS 17 4.986 -4.280 11.523 768 1HB HIS 17 1HB HIS 17 4.699 -1.805 11.467 769 2HB HIS 17 2HB HIS 17 5.693 -1.675 12.918 770 HD1 HIS 17 1HD HIS 17 7.819 -4.002 11.643 771 HD2 HIS 17 2HD HIS 17 6.492 -0.303 10.124 772 HE1 HIS 17 1HE HIS 17 9.652 -3.143 10.079 773 H ARG 18 H ARG 18 5.476 -3.324 14.949 774 HA ARG 18 HA ARG 18 8.041 -4.590 15.249 775 1HB ARG 18 1HB ARG 18 5.913 -3.704 17.219 776 2HB ARG 18 2HB ARG 18 7.473 -4.381 17.722 777 1HG ARG 18 1HG ARG 18 8.714 -2.619 16.646 778 2HG ARG 18 2HG ARG 18 7.273 -2.000 15.832 779 1HD ARG 18 1HD ARG 18 6.264 -1.475 18.030 780 2HD ARG 18 2HD ARG 18 7.780 -1.947 18.834 781 HE ARG 18 HE ARG 18 8.687 -0.182 16.994 782 1HH1 ARG 18 1HH1 ARG 18 6.115 0.171 19.385 783 2HH1 ARG 18 2HH1 ARG 18 6.055 1.914 19.221 784 1HH2 ARG 18 1HH2 ARG 18 8.604 2.050 16.826 785 2HH2 ARG 18 2HH2 ARG 18 7.353 2.952 17.655 786 H LYS 19 H LYS 19 4.710 -5.749 16.059 787 HA LYS 19 HA LYS 19 5.492 -8.314 17.018 788 1HB LYS 19 1HB LYS 19 3.243 -7.316 17.243 789 2HB LYS 19 2HB LYS 19 2.967 -7.519 15.505 790 1HG LYS 19 1HG LYS 19 3.191 -9.982 15.751 791 2HG LYS 19 2HG LYS 19 3.560 -9.773 17.476 792 1HD LYS 19 1HD LYS 19 1.313 -8.766 17.837 793 2HD LYS 19 2HD LYS 19 0.974 -8.888 16.104 794 1HE LYS 19 1HE LYS 19 -0.122 -10.727 17.263 795 2HE LYS 19 2HE LYS 19 1.169 -11.373 16.239 796 1HZ LYS 19 1HZ LYS 19 1.146 -12.353 18.423 797 2HZ LYS 19 2HZ LYS 19 2.547 -11.523 18.187 798 3HZ LYS 19 3HZ LYS 19 1.362 -10.882 19.134 799 H LEU 20 H LEU 20 4.647 -7.258 13.698 800 HA LEU 20 HA LEU 20 5.233 -9.727 12.396 801 1HB LEU 20 1HB LEU 20 5.285 -6.877 11.377 802 2HB LEU 20 2HB LEU 20 5.382 -8.308 10.343 803 HG LEU 20 HG LEU 20 3.023 -7.797 12.217 804 1HD1 LEU 20 1HD1 LEU 20 3.187 -5.967 10.610 805 2HD1 LEU 20 2HD1 LEU 20 3.359 -7.123 9.275 806 3HD1 LEU 20 3HD1 LEU 20 1.835 -7.030 10.188 807 1HD2 LEU 20 1HD2 LEU 20 3.438 -9.710 9.892 808 2HD2 LEU 20 2HD2 LEU 20 3.191 -10.134 11.598 809 3HD2 LEU 20 3HD2 LEU 20 1.883 -9.389 10.680 810 H LYS 21 H LYS 21 7.400 -6.947 13.183 811 HA LYS 21 HA LYS 21 9.712 -8.047 11.930 812 1HB LYS 21 1HB LYS 21 9.457 -5.702 12.757 813 2HB LYS 21 2HB LYS 21 9.631 -6.298 14.415 814 1HG LYS 21 1HG LYS 21 11.887 -7.172 13.865 815 2HG LYS 21 2HG LYS 21 11.682 -6.646 12.182 816 1HD LYS 21 1HD LYS 21 11.458 -4.287 12.950 817 2HD LYS 21 2HD LYS 21 11.659 -4.817 14.633 818 1HE LYS 21 1HE LYS 21 13.917 -5.713 14.081 819 2HE LYS 21 2HE LYS 21 13.714 -5.189 12.399 820 1HZ LYS 21 1HZ LYS 21 13.732 -3.425 14.748 821 2HZ LYS 21 2HZ LYS 21 14.966 -3.614 13.672 822 3HZ LYS 21 3HZ LYS 21 13.544 -2.938 13.185 823 H ASN 22 H ASN 22 8.364 -8.599 15.199 824 HA ASN 22 HA ASN 22 10.471 -10.365 16.051 825 1HB ASN 22 1HB ASN 22 8.679 -9.163 17.447 826 2HB ASN 22 2HB ASN 22 7.592 -10.485 17.014 827 1HD2 ASN 22 1HD2 ASN 22 9.883 -12.577 17.148 828 2HD2 ASN 22 2HD2 ASN 22 10.142 -12.687 18.885 829 H CYS 23 H CYS 23 7.360 -10.955 14.392 830 HA CYS 23 HA CYS 23 7.433 -13.806 14.332 831 1HB CYS 23 1HB CYS 23 5.396 -12.556 13.801 832 2HB CYS 23 2HB CYS 23 6.254 -11.730 12.501 833 H LYS 24 H LYS 24 8.176 -15.289 12.832 834 HA LYS 24 HA LYS 24 9.230 -14.598 10.252 835 1HB LYS 24 1HB LYS 24 11.578 -15.632 10.810 836 2HB LYS 24 2HB LYS 24 11.236 -13.926 11.014 837 1HG LYS 24 1HG LYS 24 12.545 -14.747 12.862 838 2HG LYS 24 2HG LYS 24 10.995 -14.134 13.407 839 1HD LYS 24 1HD LYS 24 10.166 -16.554 13.523 840 2HD LYS 24 2HD LYS 24 11.785 -17.065 13.034 841 1HE LYS 24 1HE LYS 24 11.659 -17.236 15.438 842 2HE LYS 24 2HE LYS 24 12.691 -15.843 15.080 843 1HZ LYS 24 1HZ LYS 24 9.841 -15.763 15.814 844 2HZ LYS 24 2HZ LYS 24 11.104 -15.348 16.785 845 3HZ LYS 24 3HZ LYS 24 10.743 -14.436 15.460 846 H VAL 25 H VAL 25 7.339 -16.022 10.075 847 HA VAL 25 HA VAL 25 8.097 -18.721 9.527 848 HB VAL 25 HB VAL 25 7.992 -19.043 11.912 849 1HG1 VAL 25 1HG1 VAL 25 6.470 -17.161 12.539 850 2HG1 VAL 25 2HG1 VAL 25 5.097 -18.097 11.911 851 3HG1 VAL 25 3HG1 VAL 25 6.037 -18.707 13.277 852 1HG2 VAL 25 1HG2 VAL 25 6.419 -20.867 12.038 853 2HG2 VAL 25 2HG2 VAL 25 5.507 -20.256 10.647 854 3HG2 VAL 25 3HG2 VAL 25 7.170 -20.848 10.433 Start of MODEL 11 1 1H GLU 1 1H GLU 1 7.434 16.188 5.487 2 2H GLU 1 2H GLU 1 6.903 15.137 6.644 3 3H GLU 1 3H GLU 1 6.549 16.737 6.765 4 HA GLU 1 HA GLU 1 5.210 16.659 4.815 5 1HB GLU 1 1HB GLU 1 5.938 13.705 4.894 6 2HB GLU 1 2HB GLU 1 4.662 14.387 3.869 7 1HG GLU 1 1HG GLU 1 6.357 15.815 2.727 8 2HG GLU 1 2HG GLU 1 7.633 15.076 3.712 9 H ASN 2 H ASN 2 2.929 16.125 4.903 10 HA ASN 2 HA ASN 2 1.950 15.652 7.618 11 1HB ASN 2 1HB ASN 2 -0.312 15.947 6.569 12 2HB ASN 2 2HB ASN 2 0.825 17.291 6.446 13 1HD2 ASN 2 1HD2 ASN 2 -0.480 18.141 4.741 14 2HD2 ASN 2 2HD2 ASN 2 -0.238 17.521 3.118 15 H ARG 3 H ARG 3 3.142 13.571 7.637 16 HA ARG 3 HA ARG 3 1.936 11.228 6.396 17 1HB ARG 3 1HB ARG 3 4.050 11.615 8.537 18 2HB ARG 3 2HB ARG 3 3.575 10.034 7.891 19 1HG ARG 3 1HG ARG 3 4.259 10.608 5.661 20 2HG ARG 3 2HG ARG 3 4.545 12.299 6.112 21 1HD ARG 3 1HD ARG 3 6.334 11.624 7.648 22 2HD ARG 3 2HD ARG 3 6.078 9.918 7.218 23 HE ARG 3 HE ARG 3 6.486 11.276 4.798 24 1HH1 ARG 3 1HH1 ARG 3 8.369 10.521 7.665 25 2HH1 ARG 3 2HH1 ARG 3 9.908 10.765 6.871 26 1HH2 ARG 3 1HH2 ARG 3 8.445 11.763 3.830 27 2HH2 ARG 3 2HH2 ARG 3 9.950 11.407 4.650 28 H GLU 4 H GLU 4 -0.192 12.233 7.382 29 HA GLU 4 HA GLU 4 -0.882 11.109 10.041 30 1HB GLU 4 1HB GLU 4 -2.300 12.850 8.016 31 2HB GLU 4 2HB GLU 4 -3.175 12.051 9.325 32 1HG GLU 4 1HG GLU 4 -2.553 14.335 9.976 33 2HG GLU 4 2HG GLU 4 -1.804 13.131 11.026 34 H VAL 5 H VAL 5 -0.938 8.941 9.985 35 HA VAL 5 HA VAL 5 -1.314 7.200 7.971 36 HB VAL 5 HB VAL 5 -2.313 6.815 10.810 37 1HG1 VAL 5 1HG1 VAL 5 -1.592 4.789 8.641 38 2HG1 VAL 5 2HG1 VAL 5 -1.912 4.401 10.341 39 3HG1 VAL 5 3HG1 VAL 5 -3.210 5.051 9.329 40 1HG2 VAL 5 1HG2 VAL 5 0.094 7.419 10.710 41 2HG2 VAL 5 2HG2 VAL 5 -0.111 5.718 11.135 42 3HG2 VAL 5 3HG2 VAL 5 0.354 6.164 9.484 43 HA PRO 6 HA PRO 6 -5.500 8.248 6.829 44 1HB PRO 6 1HB PRO 6 -5.741 6.959 4.436 45 2HB PRO 6 2HB PRO 6 -4.660 8.354 4.682 46 1HG PRO 6 1HG PRO 6 -3.921 5.415 4.767 47 2HG PRO 6 2HG PRO 6 -3.108 6.722 3.860 48 1HD PRO 6 1HD PRO 6 -2.240 5.858 6.311 49 2HD PRO 6 2HD PRO 6 -2.106 7.570 5.819 50 HA PRO 7 HA PRO 7 -8.176 4.903 8.328 51 1HB PRO 7 1HB PRO 7 -9.924 5.876 6.042 52 2HB PRO 7 2HB PRO 7 -10.404 5.421 7.704 53 1HG PRO 7 1HG PRO 7 -10.119 8.030 7.067 54 2HG PRO 7 2HG PRO 7 -9.455 7.397 8.601 55 1HD PRO 7 1HD PRO 7 -7.970 7.997 6.036 56 2HD PRO 7 2HD PRO 7 -7.509 8.336 7.732 57 H GLY 8 H GLY 8 -7.762 5.327 4.817 58 1HA GLY 8 1HA GLY 8 -8.347 2.834 3.763 59 2HA GLY 8 2HA GLY 8 -7.072 3.903 3.168 60 H PHE 9 H PHE 9 -5.355 3.745 5.550 61 HA PHE 9 HA PHE 9 -3.904 1.289 4.918 62 1HB PHE 9 1HB PHE 9 -2.530 3.059 5.588 63 2HB PHE 9 2HB PHE 9 -3.581 3.533 6.910 64 HD1 PHE 9 1HD PHE 9 -3.395 2.652 9.102 65 HD2 PHE 9 2HD PHE 9 -1.282 0.791 5.846 66 HE1 PHE 9 1HE PHE 9 -2.038 1.387 10.723 67 HE2 PHE 9 2HE PHE 9 -0.019 -0.607 7.484 68 HZ PHE 9 HZ PHE 9 -0.425 -0.330 9.918 69 H THR 10 H THR 10 -5.696 2.417 7.853 70 HA THR 10 HA THR 10 -5.539 0.016 9.277 71 HB THR 10 HB THR 10 -7.860 1.969 9.281 72 HG1 THR 10 1HG THR 10 -6.548 3.005 10.895 73 1HG2 THR 10 1HG2 THR 10 -8.201 -0.081 10.683 74 2HG2 THR 10 2HG2 THR 10 -6.650 0.238 11.490 75 3HG2 THR 10 3HG2 THR 10 -8.004 1.370 11.680 76 H ALA 11 H ALA 11 -8.046 1.081 6.952 77 HA ALA 11 HA ALA 11 -9.697 -1.225 7.006 78 1HB ALA 11 1HB ALA 11 -9.152 0.695 4.711 79 2HB ALA 11 2HB ALA 11 -10.545 -0.395 4.871 80 3HB ALA 11 3HB ALA 11 -10.331 0.940 6.018 81 H LEU 12 H LEU 12 -6.935 -0.470 4.788 82 HA LEU 12 HA LEU 12 -6.851 -2.868 3.337 83 1HB LEU 12 1HB LEU 12 -5.528 -0.873 2.890 84 2HB LEU 12 2HB LEU 12 -4.526 -1.145 4.307 85 HG LEU 12 HG LEU 12 -4.692 -3.087 1.968 86 1HD1 LEU 12 1HD1 LEU 12 -3.869 -0.825 1.298 87 2HD1 LEU 12 2HD1 LEU 12 -2.643 -0.917 2.577 88 3HD1 LEU 12 3HD1 LEU 12 -2.603 -2.051 1.209 89 1HD2 LEU 12 1HD2 LEU 12 -2.747 -2.813 4.308 90 2HD2 LEU 12 2HD2 LEU 12 -3.709 -4.247 3.875 91 3HD2 LEU 12 3HD2 LEU 12 -2.387 -3.741 2.842 92 H ILE 13 H ILE 13 -5.118 -2.156 6.427 93 HA ILE 13 HA ILE 13 -4.109 -4.811 6.718 94 HB ILE 13 HB ILE 13 -4.659 -2.703 8.808 95 1HG1 ILE 13 1HG1 ILE 13 -3.055 -1.925 7.101 96 2HG1 ILE 13 2HG1 ILE 13 -2.313 -2.145 8.679 97 1HG2 ILE 13 1HG2 ILE 13 -4.434 -4.878 9.914 98 2HG2 ILE 13 2HG2 ILE 13 -2.979 -5.246 8.990 99 3HG2 ILE 13 3HG2 ILE 13 -2.977 -3.922 10.175 100 1HD1 ILE 13 1HD1 ILE 13 -1.259 -4.240 7.926 101 2HD1 ILE 13 2HD1 ILE 13 -2.061 -4.098 6.344 102 3HD1 ILE 13 3HD1 ILE 13 -0.870 -2.898 6.842 103 H LYS 14 H LYS 14 -7.154 -3.402 8.062 104 HA LYS 14 HA LYS 14 -8.029 -5.750 9.430 105 1HB LYS 14 1HB LYS 14 -9.518 -3.530 7.993 106 2HB LYS 14 2HB LYS 14 -10.361 -4.811 8.846 107 1HG LYS 14 1HG LYS 14 -8.276 -3.034 10.174 108 2HG LYS 14 2HG LYS 14 -9.978 -2.599 10.097 109 1HD LYS 14 1HD LYS 14 -8.947 -5.162 11.410 110 2HD LYS 14 2HD LYS 14 -9.248 -3.646 12.257 111 1HE LYS 14 1HE LYS 14 -11.640 -3.717 11.514 112 2HE LYS 14 2HE LYS 14 -11.344 -5.300 10.771 113 1HZ LYS 14 1HZ LYS 14 -11.001 -4.665 13.612 114 2HZ LYS 14 2HZ LYS 14 -12.249 -5.513 12.949 115 3HZ LYS 14 3HZ LYS 14 -10.722 -6.131 12.914 116 H THR 15 H THR 15 -8.515 -4.782 6.028 117 HA THR 15 HA THR 15 -9.989 -7.099 5.244 118 HB THR 15 HB THR 15 -8.208 -5.371 3.475 119 HG1 THR 15 1HG THR 15 -9.676 -4.077 4.621 120 1HG2 THR 15 1HG2 THR 15 -9.173 -7.462 2.424 121 2HG2 THR 15 2HG2 THR 15 -10.788 -6.895 2.897 122 3HG2 THR 15 3HG2 THR 15 -9.815 -5.945 1.758 123 H LEU 16 H LEU 16 -6.482 -6.403 5.138 124 HA LEU 16 HA LEU 16 -5.607 -8.832 3.957 125 1HB LEU 16 1HB LEU 16 -4.283 -6.755 4.301 126 2HB LEU 16 2HB LEU 16 -4.179 -7.089 6.023 127 HG LEU 16 HG LEU 16 -3.215 -9.147 4.007 128 1HD1 LEU 16 1HD1 LEU 16 -2.160 -7.025 3.357 129 2HD1 LEU 16 2HD1 LEU 16 -1.657 -6.741 5.037 130 3HD1 LEU 16 3HD1 LEU 16 -0.974 -8.098 4.115 131 1HD2 LEU 16 1HD2 LEU 16 -1.589 -9.651 5.844 132 2HD2 LEU 16 2HD2 LEU 16 -2.376 -8.429 6.860 133 3HD2 LEU 16 3HD2 LEU 16 -3.246 -9.893 6.373 134 H ARG 17 H ARG 17 -5.912 -7.959 7.426 135 HA ARG 17 HA ARG 17 -5.289 -10.468 8.530 136 1HB ARG 17 1HB ARG 17 -5.510 -8.319 9.743 137 2HB ARG 17 2HB ARG 17 -7.272 -8.405 9.579 138 1HG ARG 17 1HG ARG 17 -7.262 -10.569 10.843 139 2HG ARG 17 2HG ARG 17 -5.503 -10.456 10.997 140 1HD ARG 17 1HD ARG 17 -7.528 -8.467 12.130 141 2HD ARG 17 2HD ARG 17 -6.677 -9.711 13.029 142 HE ARG 17 HE ARG 17 -4.608 -8.615 12.788 143 1HH1 ARG 17 1HH1 ARG 17 -7.161 -6.640 11.345 144 2HH1 ARG 17 2HH1 ARG 17 -6.261 -5.141 11.546 145 1HH2 ARG 17 1HH2 ARG 17 -3.454 -6.710 12.909 146 2HH2 ARG 17 2HH2 ARG 17 -4.161 -5.205 12.358 147 H LYS 18 H LYS 18 -8.548 -9.203 7.580 148 HA LYS 18 HA LYS 18 -10.051 -11.517 8.115 149 1HB LYS 18 1HB LYS 18 -10.971 -9.308 7.415 150 2HB LYS 18 2HB LYS 18 -10.350 -9.596 5.795 151 1HG LYS 18 1HG LYS 18 -11.823 -11.868 6.021 152 2HG LYS 18 2HG LYS 18 -12.624 -10.927 7.258 153 1HD LYS 18 1HD LYS 18 -13.788 -10.722 5.133 154 2HD LYS 18 2HD LYS 18 -13.135 -9.146 5.601 155 1HE LYS 18 1HE LYS 18 -12.911 -9.756 3.145 156 2HE LYS 18 2HE LYS 18 -11.395 -9.285 3.905 157 1HZ LYS 18 1HZ LYS 18 -11.184 -11.261 2.550 158 2HZ LYS 18 2HZ LYS 18 -10.826 -11.567 4.124 159 3HZ LYS 18 3HZ LYS 18 -12.266 -12.064 3.515 160 H CYS 19 H CYS 19 -8.484 -10.702 4.934 161 HA CYS 19 HA CYS 19 -9.194 -13.168 3.712 162 1HB CYS 19 1HB CYS 19 -8.636 -11.328 2.352 163 2HB CYS 19 2HB CYS 19 -7.025 -11.186 3.058 164 H LYS 20 H LYS 20 -6.191 -12.306 5.440 165 HA LYS 20 HA LYS 20 -4.978 -14.940 4.995 166 1HB LYS 20 1HB LYS 20 -4.175 -12.586 6.739 167 2HB LYS 20 2HB LYS 20 -3.159 -13.989 6.402 168 1HG LYS 20 1HG LYS 20 -4.154 -12.025 4.282 169 2HG LYS 20 2HG LYS 20 -2.587 -11.972 5.094 170 1HD LYS 20 1HD LYS 20 -2.039 -14.243 4.193 171 2HD LYS 20 2HD LYS 20 -3.599 -14.268 3.353 172 1HE LYS 20 1HE LYS 20 -1.885 -13.613 1.776 173 2HE LYS 20 2HE LYS 20 -2.958 -12.237 2.072 174 1HZ LYS 20 1HZ LYS 20 -1.300 -11.367 3.578 175 2HZ LYS 20 2HZ LYS 20 -0.318 -12.666 3.308 176 3HZ LYS 20 3HZ LYS 20 -0.651 -11.618 2.085 177 H ILE 21 H ILE 21 -7.221 -13.752 7.300 178 HA ILE 21 HA ILE 21 -8.111 -14.540 9.177 179 HB ILE 21 HB ILE 21 -6.318 -16.995 9.064 180 1HG1 ILE 21 1HG1 ILE 21 -7.653 -16.928 7.010 181 2HG1 ILE 21 2HG1 ILE 21 -8.167 -18.210 8.096 182 1HG2 ILE 21 1HG2 ILE 21 -7.199 -16.649 11.270 183 2HG2 ILE 21 2HG2 ILE 21 -8.830 -16.359 10.645 184 3HG2 ILE 21 3HG2 ILE 21 -8.091 -17.969 10.507 185 1HD1 ILE 21 1HD1 ILE 21 -10.123 -16.865 8.806 186 2HD1 ILE 21 2HD1 ILE 21 -9.599 -15.540 7.740 187 3HD1 ILE 21 3HD1 ILE 21 -10.082 -17.095 7.052 188 H ILE 22 H ILE 22 -4.627 -15.328 9.256 189 HA ILE 22 HA ILE 22 -4.357 -14.095 11.912 190 HB ILE 22 HB ILE 22 -3.166 -16.164 11.410 191 1HG1 ILE 22 1HG1 ILE 22 -0.920 -15.551 12.185 192 2HG1 ILE 22 2HG1 ILE 22 -1.235 -13.844 11.859 193 1HG2 ILE 22 1HG2 ILE 22 -2.680 -15.824 8.994 194 2HG2 ILE 22 2HG2 ILE 22 -1.491 -14.576 9.418 195 3HG2 ILE 22 3HG2 ILE 22 -1.242 -16.253 9.919 196 1HD1 ILE 22 1HD1 ILE 22 -1.474 -14.514 14.264 197 2HD1 ILE 22 2HD1 ILE 22 -2.949 -13.791 13.614 198 3HD1 ILE 22 3HD1 ILE 22 -2.838 -15.557 13.814 199 1H ASN 1 1H ASN 1 8.941 4.629 -7.272 200 2H ASN 1 2H ASN 1 9.753 3.195 -7.169 201 3H ASN 1 3H ASN 1 10.523 4.542 -7.719 202 HA ASN 1 HA ASN 1 11.218 4.068 -5.504 203 1HB ASN 1 1HB ASN 1 11.404 6.352 -5.926 204 2HB ASN 1 2HB ASN 1 9.660 6.562 -6.109 205 1HD2 ASN 1 1HD2 ASN 1 12.245 6.207 -3.595 206 2HD2 ASN 1 2HD2 ASN 1 11.169 6.821 -2.328 207 H LEU 2 H LEU 2 7.712 4.859 -5.491 208 HA LEU 2 HA LEU 2 6.035 4.340 -4.067 209 1HB LEU 2 1HB LEU 2 6.995 1.998 -4.378 210 2HB LEU 2 2HB LEU 2 7.699 2.159 -2.769 211 HG LEU 2 HG LEU 2 4.727 2.351 -3.452 212 1HD1 LEU 2 1HD1 LEU 2 4.626 0.127 -2.352 213 2HD1 LEU 2 2HD1 LEU 2 5.658 0.097 -3.790 214 3HD1 LEU 2 3HD1 LEU 2 6.389 0.136 -2.170 215 1HD2 LEU 2 1HD2 LEU 2 5.079 3.604 -1.404 216 2HD2 LEU 2 2HD2 LEU 2 4.472 2.020 -0.941 217 3HD2 LEU 2 3HD2 LEU 2 6.206 2.376 -0.783 218 H VAL 3 H VAL 3 9.042 3.968 -2.142 219 HA VAL 3 HA VAL 3 7.968 5.181 0.225 220 HB VAL 3 HB VAL 3 10.883 4.749 -0.537 221 1HG1 VAL 3 1HG1 VAL 3 9.495 5.011 2.175 222 2HG1 VAL 3 2HG1 VAL 3 11.213 4.652 1.921 223 3HG1 VAL 3 3HG1 VAL 3 10.574 6.232 1.468 224 1HG2 VAL 3 1HG2 VAL 3 10.632 2.640 0.784 225 2HG2 VAL 3 2HG2 VAL 3 8.886 2.946 0.888 226 3HG2 VAL 3 3HG2 VAL 3 9.651 2.613 -0.682 227 H SER 4 H SER 4 7.036 7.013 -0.772 228 HA SER 4 HA SER 4 6.965 9.281 -0.119 229 1HB SER 4 1HB SER 4 9.748 9.731 -1.243 230 2HB SER 4 2HB SER 4 8.718 10.877 -0.377 231 HG SER 4 HG SER 4 10.036 8.589 0.596 232 H GLY 5 H GLY 5 7.683 7.728 -3.064 233 1HA GLY 5 1HA GLY 5 6.768 9.741 -4.909 234 2HA GLY 5 2HA GLY 5 6.780 7.986 -5.143 235 H LEU 6 H LEU 6 5.074 10.510 -3.380 236 HA LEU 6 HA LEU 6 2.961 9.605 -2.264 237 1HB LEU 6 1HB LEU 6 3.629 12.039 -3.127 238 2HB LEU 6 2HB LEU 6 2.278 11.801 -4.227 239 HG LEU 6 HG LEU 6 2.253 11.671 -1.179 240 1HD1 LEU 6 1HD1 LEU 6 0.938 13.740 -1.347 241 2HD1 LEU 6 2HD1 LEU 6 2.520 13.941 -2.118 242 3HD1 LEU 6 3HD1 LEU 6 1.067 13.706 -3.116 243 1HD2 LEU 6 1HD2 LEU 6 0.543 10.156 -1.947 244 2HD2 LEU 6 2HD2 LEU 6 -0.259 11.639 -1.441 245 3HD2 LEU 6 3HD2 LEU 6 -0.032 11.317 -3.171 246 H ILE 7 H ILE 7 2.542 10.186 -5.795 247 HA ILE 7 HA ILE 7 0.038 8.895 -6.008 248 HB ILE 7 HB ILE 7 0.409 8.884 -8.409 249 1HG1 ILE 7 1HG1 ILE 7 3.281 9.721 -7.773 250 2HG1 ILE 7 2HG1 ILE 7 2.752 8.230 -8.569 251 1HG2 ILE 7 1HG2 ILE 7 0.496 11.272 -8.680 252 2HG2 ILE 7 2HG2 ILE 7 -0.257 10.942 -7.121 253 3HG2 ILE 7 3HG2 ILE 7 1.435 11.479 -7.188 254 1HD1 ILE 7 1HD1 ILE 7 3.559 9.706 -10.253 255 2HD1 ILE 7 2HD1 ILE 7 1.797 9.591 -10.434 256 3HD1 ILE 7 3HD1 ILE 7 2.534 11.036 -9.697 257 H GLU 8 H GLU 8 3.292 7.468 -6.233 258 HA GLU 8 HA GLU 8 2.413 4.873 -7.200 259 1HB GLU 8 1HB GLU 8 4.958 5.634 -5.705 260 2HB GLU 8 2HB GLU 8 4.649 4.138 -6.590 261 1HG GLU 8 1HG GLU 8 4.423 5.473 -8.702 262 2HG GLU 8 2HG GLU 8 4.860 6.935 -7.802 263 H ALA 9 H ALA 9 3.288 6.267 -4.013 264 HA ALA 9 HA ALA 9 2.781 3.971 -2.421 265 1HB ALA 9 1HB ALA 9 3.924 6.027 -1.630 266 2HB ALA 9 2HB ALA 9 2.381 6.897 -1.657 267 3HB ALA 9 3HB ALA 9 2.610 5.525 -0.553 268 H ARG 10 H ARG 10 0.548 6.668 -3.225 269 HA ARG 10 HA ARG 10 -1.784 5.615 -1.988 270 1HB ARG 10 1HB ARG 10 -1.407 7.420 -4.401 271 2HB ARG 10 2HB ARG 10 -2.984 7.103 -3.674 272 1HG ARG 10 1HG ARG 10 -0.658 8.222 -2.056 273 2HG ARG 10 2HG ARG 10 -1.768 9.243 -2.985 274 1HD ARG 10 1HD ARG 10 -3.677 8.285 -1.696 275 2HD ARG 10 2HD ARG 10 -2.514 7.400 -0.677 276 HE ARG 10 HE ARG 10 -1.631 10.033 -0.643 277 1HH1 ARG 10 1HH1 ARG 10 -4.580 8.380 0.405 278 2HH1 ARG 10 2HH1 ARG 10 -4.996 9.670 1.529 279 1HH2 ARG 10 1HH2 ARG 10 -2.264 11.684 0.779 280 2HH2 ARG 10 2HH2 ARG 10 -3.737 11.470 1.716 281 H LYS 11 H LYS 11 -0.764 5.302 -5.464 282 HA LYS 11 HA LYS 11 -2.960 3.686 -6.174 283 1HB LYS 11 1HB LYS 11 -1.462 4.873 -7.776 284 2HB LYS 11 2HB LYS 11 -0.173 3.726 -7.392 285 1HG LYS 11 1HG LYS 11 -1.167 3.027 -9.451 286 2HG LYS 11 2HG LYS 11 -1.668 1.856 -8.233 287 1HD LYS 11 1HD LYS 11 -3.891 3.127 -8.051 288 2HD LYS 11 2HD LYS 11 -3.307 4.196 -9.332 289 1HE LYS 11 1HE LYS 11 -4.736 2.551 -10.337 290 2HE LYS 11 2HE LYS 11 -3.081 2.127 -10.810 291 1HZ LYS 11 1HZ LYS 11 -4.620 0.929 -8.599 292 2HZ LYS 11 2HZ LYS 11 -4.364 0.229 -10.072 293 3HZ LYS 11 3HZ LYS 11 -3.097 0.488 -9.051 294 H TYR 12 H TYR 12 0.300 2.723 -5.033 295 HA TYR 12 HA TYR 12 -0.063 -0.090 -5.170 296 1HB TYR 12 1HB TYR 12 2.104 0.992 -4.845 297 2HB TYR 12 2HB TYR 12 1.608 1.591 -3.265 298 HD1 TYR 12 1HD TYR 12 1.600 0.138 -1.318 299 HD2 TYR 12 2HD TYR 12 2.420 -1.468 -5.230 300 HE1 TYR 12 1HE TYR 12 2.339 -2.004 -0.289 301 HE2 TYR 12 2HE TYR 12 3.135 -3.606 -4.200 302 HH TYR 12 HH TYR 12 3.423 -4.761 -2.274 303 H LEU 13 H LEU 13 -0.628 2.147 -2.384 304 HA LEU 13 HA LEU 13 -1.665 0.246 -0.578 305 1HB LEU 13 1HB LEU 13 -1.001 2.554 -0.079 306 2HB LEU 13 2HB LEU 13 -2.429 3.188 -0.888 307 HG LEU 13 HG LEU 13 -2.660 1.214 1.417 308 1HD1 LEU 13 1HD1 LEU 13 -1.204 2.970 2.233 309 2HD1 LEU 13 2HD1 LEU 13 -2.313 4.225 1.632 310 3HD1 LEU 13 3HD1 LEU 13 -2.807 3.148 2.959 311 1HD2 LEU 13 1HD2 LEU 13 -4.796 1.717 0.251 312 2HD2 LEU 13 2HD2 LEU 13 -4.787 2.464 1.842 313 3HD2 LEU 13 3HD2 LEU 13 -4.478 3.456 0.405 314 H GLU 14 H GLU 14 -3.480 2.306 -2.890 315 HA GLU 14 HA GLU 14 -6.064 1.279 -2.510 316 1HB GLU 14 1HB GLU 14 -5.593 3.268 -3.762 317 2HB GLU 14 2HB GLU 14 -4.669 2.396 -4.979 318 1HG GLU 14 1HG GLU 14 -7.631 1.848 -4.470 319 2HG GLU 14 2HG GLU 14 -7.065 3.098 -5.583 320 H GLN 15 H GLN 15 -3.718 0.182 -5.033 321 HA GLN 15 HA GLN 15 -5.363 -1.913 -5.956 322 1HB GLN 15 1HB GLN 15 -3.540 -0.948 -7.247 323 2HB GLN 15 2HB GLN 15 -2.343 -1.568 -6.103 324 1HG GLN 15 1HG GLN 15 -2.485 -2.923 -8.171 325 2HG GLN 15 2HG GLN 15 -2.853 -3.879 -6.738 326 1HE2 GLN 15 1HE2 GLN 15 -5.096 -4.535 -6.365 327 2HE2 GLN 15 2HE2 GLN 15 -6.207 -4.569 -7.728 328 H LEU 16 H LEU 16 -2.783 -1.970 -3.457 329 HA LEU 16 HA LEU 16 -2.874 -4.769 -2.998 330 1HB LEU 16 1HB LEU 16 -1.065 -3.282 -2.250 331 2HB LEU 16 2HB LEU 16 -2.162 -2.486 -1.117 332 HG LEU 16 HG LEU 16 -2.387 -4.587 0.163 333 1HD1 LEU 16 1HD1 LEU 16 -0.828 -6.496 -0.366 334 2HD1 LEU 16 2HD1 LEU 16 -2.071 -6.291 -1.603 335 3HD1 LEU 16 3HD1 LEU 16 -0.419 -5.705 -1.900 336 1HD2 LEU 16 1HD2 LEU 16 -0.536 -2.983 0.672 337 2HD2 LEU 16 2HD2 LEU 16 -0.135 -4.662 1.071 338 3HD2 LEU 16 3HD2 LEU 16 0.529 -3.917 -0.396 339 H HIS 17 H HIS 17 -4.606 -2.083 -1.288 340 HA HIS 17 HA HIS 17 -6.228 -3.710 0.364 341 1HB HIS 17 1HB HIS 17 -5.956 -1.215 0.480 342 2HB HIS 17 2HB HIS 17 -7.015 -1.066 -0.918 343 HD1 HIS 17 1HD HIS 17 -8.873 -3.609 0.568 344 HD2 HIS 17 2HD HIS 17 -7.864 0.294 1.795 345 HE1 HIS 17 1HE HIS 17 -10.656 -2.878 2.252 346 H ARG 18 H ARG 18 -6.824 -2.616 -3.003 347 HA ARG 18 HA ARG 18 -9.368 -3.813 -3.319 348 1HB ARG 18 1HB ARG 18 -8.301 -2.148 -4.836 349 2HB ARG 18 2HB ARG 18 -7.263 -3.429 -5.479 350 1HG ARG 18 1HG ARG 18 -9.270 -4.687 -6.231 351 2HG ARG 18 2HG ARG 18 -10.312 -3.456 -5.488 352 1HD ARG 18 1HD ARG 18 -10.263 -2.885 -7.796 353 2HD ARG 18 2HD ARG 18 -9.200 -1.737 -7.004 354 HE ARG 18 HE ARG 18 -7.373 -2.610 -8.115 355 1HH1 ARG 18 1HH1 ARG 18 -10.050 -4.868 -8.507 356 2HH1 ARG 18 2HH1 ARG 18 -9.297 -5.727 -9.829 357 1HH2 ARG 18 1HH2 ARG 18 -6.384 -3.743 -9.785 358 2HH2 ARG 18 2HH2 ARG 18 -7.218 -5.069 -10.570 359 H LYS 19 H LYS 19 -6.107 -5.197 -4.011 360 HA LYS 19 HA LYS 19 -7.004 -7.735 -4.875 361 1HB LYS 19 1HB LYS 19 -4.738 -6.981 -5.229 362 2HB LYS 19 2HB LYS 19 -4.436 -6.881 -3.495 363 1HG LYS 19 1HG LYS 19 -3.387 -8.840 -4.460 364 2HG LYS 19 2HG LYS 19 -4.590 -9.319 -3.263 365 1HD LYS 19 1HD LYS 19 -6.212 -9.851 -5.064 366 2HD LYS 19 2HD LYS 19 -5.059 -9.300 -6.292 367 1HE LYS 19 1HE LYS 19 -4.610 -11.613 -4.335 368 2HE LYS 19 2HE LYS 19 -5.163 -11.791 -6.007 369 1HZ LYS 19 1HZ LYS 19 -2.830 -12.134 -5.854 370 2HZ LYS 19 2HZ LYS 19 -3.125 -10.772 -6.734 371 3HZ LYS 19 3HZ LYS 19 -2.588 -10.651 -5.181 372 H LEU 20 H LEU 20 -6.006 -6.719 -1.540 373 HA LEU 20 HA LEU 20 -6.732 -9.218 -0.357 374 1HB LEU 20 1HB LEU 20 -6.408 -6.455 0.833 375 2HB LEU 20 2HB LEU 20 -6.938 -7.841 1.783 376 HG LEU 20 HG LEU 20 -4.668 -7.608 2.185 377 1HD1 LEU 20 1HD1 LEU 20 -4.720 -9.918 0.217 378 2HD1 LEU 20 2HD1 LEU 20 -3.760 -9.742 1.687 379 3HD1 LEU 20 3HD1 LEU 20 -5.513 -9.970 1.810 380 1HD2 LEU 20 1HD2 LEU 20 -4.065 -7.679 -0.781 381 2HD2 LEU 20 2HD2 LEU 20 -3.929 -6.293 0.339 382 3HD2 LEU 20 3HD2 LEU 20 -2.883 -7.703 0.541 383 H LYS 21 H LYS 21 -8.726 -6.319 -0.938 384 HA LYS 21 HA LYS 21 -11.096 -7.363 0.299 385 1HB LYS 21 1HB LYS 21 -10.730 -5.008 -0.192 386 2HB LYS 21 2HB LYS 21 -10.744 -5.338 -1.937 387 1HG LYS 21 1HG LYS 21 -13.072 -5.892 -1.906 388 2HG LYS 21 2HG LYS 21 -13.089 -6.046 -0.146 389 1HD LYS 21 1HD LYS 21 -14.187 -3.987 -0.894 390 2HD LYS 21 2HD LYS 21 -12.819 -3.644 0.163 391 1HE LYS 21 1HE LYS 21 -12.495 -3.603 -2.869 392 2HE LYS 21 2HE LYS 21 -13.189 -2.221 -2.009 393 1HZ LYS 21 1HZ LYS 21 -10.537 -3.344 -1.468 394 2HZ LYS 21 2HZ LYS 21 -10.860 -1.951 -2.281 395 3HZ LYS 21 3HZ LYS 21 -11.232 -2.075 -0.682 396 H ASN 22 H ASN 22 -9.751 -7.802 -2.968 397 HA ASN 22 HA ASN 22 -12.034 -9.272 -3.986 398 1HB ASN 22 1HB ASN 22 -9.181 -8.903 -4.916 399 2HB ASN 22 2HB ASN 22 -10.199 -10.165 -5.612 400 1HD2 ASN 22 1HD2 ASN 22 -10.417 -6.642 -4.819 401 2HD2 ASN 22 2HD2 ASN 22 -11.389 -6.282 -6.254 402 H CYS 23 H CYS 23 -9.014 -10.361 -2.304 403 HA CYS 23 HA CYS 23 -10.007 -13.126 -2.355 404 1HB CYS 23 1HB CYS 23 -8.142 -13.815 -1.174 405 2HB CYS 23 2HB CYS 23 -7.673 -12.683 -2.430 406 H LYS 24 H LYS 24 -12.126 -12.292 -1.706 407 HA LYS 24 HA LYS 24 -12.600 -11.399 0.956 408 1HB LYS 24 1HB LYS 24 -13.814 -10.861 -1.174 409 2HB LYS 24 2HB LYS 24 -14.634 -12.421 -1.046 410 1HG LYS 24 1HG LYS 24 -15.480 -11.706 1.231 411 2HG LYS 24 2HG LYS 24 -14.701 -10.134 0.993 412 1HD LYS 24 1HD LYS 24 -16.875 -11.328 -0.796 413 2HD LYS 24 2HD LYS 24 -17.144 -10.134 0.482 414 1HE LYS 24 1HE LYS 24 -15.576 -8.558 -0.723 415 2HE LYS 24 2HE LYS 24 -15.496 -9.718 -2.060 416 1HZ LYS 24 1HZ LYS 24 -17.855 -9.528 -2.306 417 2HZ LYS 24 2HZ LYS 24 -17.941 -8.438 -1.074 418 3HZ LYS 24 3HZ LYS 24 -17.132 -8.055 -2.459 419 H VAL 25 H VAL 25 -11.298 -13.538 1.687 420 HA VAL 25 HA VAL 25 -12.849 -15.930 2.107 421 HB VAL 25 HB VAL 25 -10.571 -14.867 3.817 422 1HG1 VAL 25 1HG1 VAL 25 -11.658 -17.681 3.420 423 2HG1 VAL 25 2HG1 VAL 25 -10.190 -17.258 4.326 424 3HG1 VAL 25 3HG1 VAL 25 -11.764 -16.710 4.905 425 1HG2 VAL 25 1HG2 VAL 25 -9.810 -15.013 1.470 426 2HG2 VAL 25 2HG2 VAL 25 -9.124 -16.338 2.407 427 3HG2 VAL 25 3HG2 VAL 25 -10.504 -16.643 1.333 428 1H GLU 1 1H GLU 1 1.003 19.951 -0.212 429 2H GLU 1 2H GLU 1 2.579 19.862 -0.702 430 3H GLU 1 3H GLU 1 2.177 19.597 0.879 431 HA GLU 1 HA GLU 1 1.345 17.953 -1.381 432 1HB GLU 1 1HB GLU 1 2.937 16.253 -0.587 433 2HB GLU 1 2HB GLU 1 3.701 17.761 -1.058 434 1HG GLU 1 1HG GLU 1 4.822 17.014 0.890 435 2HG GLU 1 2HG GLU 1 3.880 18.422 1.375 436 H ASN 2 H ASN 2 0.737 15.672 -0.505 437 HA ASN 2 HA ASN 2 -1.004 15.817 1.909 438 1HB ASN 2 1HB ASN 2 -2.961 15.076 0.512 439 2HB ASN 2 2HB ASN 2 -2.434 16.742 0.276 440 1HD2 ASN 2 1HD2 ASN 2 -1.867 13.473 -1.144 441 2HD2 ASN 2 2HD2 ASN 2 -1.828 14.077 -2.810 442 H ARG 3 H ARG 3 1.046 14.383 2.254 443 HA ARG 3 HA ARG 3 1.155 11.884 0.867 444 1HB ARG 3 1HB ARG 3 3.123 12.876 1.754 445 2HB ARG 3 2HB ARG 3 2.510 12.818 3.419 446 1HG ARG 3 1HG ARG 3 2.657 10.429 3.484 447 2HG ARG 3 2HG ARG 3 2.815 10.302 1.722 448 1HD ARG 3 1HD ARG 3 4.999 11.357 1.780 449 2HD ARG 3 2HD ARG 3 4.885 11.589 3.539 450 HE ARG 3 HE ARG 3 4.429 8.887 3.196 451 1HH1 ARG 3 1HH1 ARG 3 7.119 11.007 2.326 452 2HH1 ARG 3 2HH1 ARG 3 8.202 9.687 1.930 453 1HH2 ARG 3 1HH2 ARG 3 5.850 7.208 2.803 454 2HH2 ARG 3 2HH2 ARG 3 7.516 7.526 2.350 455 H GLU 4 H GLU 4 0.186 12.461 4.319 456 HA GLU 4 HA GLU 4 -0.943 11.207 5.771 457 1HB GLU 4 1HB GLU 4 -2.292 9.950 3.355 458 2HB GLU 4 2HB GLU 4 -2.706 9.646 5.035 459 1HG GLU 4 1HG GLU 4 -3.097 12.084 5.399 460 2HG GLU 4 2HG GLU 4 -2.852 12.353 3.668 461 H VAL 5 H VAL 5 -0.130 8.827 3.221 462 HA VAL 5 HA VAL 5 0.301 6.743 5.117 463 HB VAL 5 HB VAL 5 -0.547 6.351 2.920 464 1HG1 VAL 5 1HG1 VAL 5 0.886 7.971 1.603 465 2HG1 VAL 5 2HG1 VAL 5 2.219 6.809 1.735 466 3HG1 VAL 5 3HG1 VAL 5 0.726 6.357 0.905 467 1HG2 VAL 5 1HG2 VAL 5 2.093 4.915 3.384 468 2HG2 VAL 5 2HG2 VAL 5 0.530 4.511 4.136 469 3HG2 VAL 5 3HG2 VAL 5 0.743 4.352 2.383 470 HA PRO 6 HA PRO 6 4.561 8.045 5.975 471 1HB PRO 6 1HB PRO 6 5.103 6.486 8.157 472 2HB PRO 6 2HB PRO 6 3.910 7.809 8.233 473 1HG PRO 6 1HG PRO 6 3.356 4.870 7.738 474 2HG PRO 6 2HG PRO 6 2.619 5.932 8.969 475 1HD PRO 6 1HD PRO 6 1.435 5.456 6.561 476 2HD PRO 6 2HD PRO 6 1.332 7.066 7.336 477 HA PRO 7 HA PRO 7 7.059 4.802 4.009 478 1HB PRO 7 1HB PRO 7 9.467 4.996 5.307 479 2HB PRO 7 2HB PRO 7 8.885 6.216 4.138 480 1HG PRO 7 1HG PRO 7 8.666 6.335 7.152 481 2HG PRO 7 2HG PRO 7 9.282 7.595 6.045 482 1HD PRO 7 1HD PRO 7 6.744 7.649 6.949 483 2HD PRO 7 2HD PRO 7 7.097 8.100 5.263 484 H GLY 8 H GLY 8 6.735 5.000 7.514 485 1HA GLY 8 1HA GLY 8 7.211 2.470 8.494 486 2HA GLY 8 2HA GLY 8 5.839 3.482 8.957 487 H PHE 9 H PHE 9 4.494 3.417 6.307 488 HA PHE 9 HA PHE 9 3.000 0.973 6.552 489 1HB PHE 9 1HB PHE 9 1.995 2.910 5.525 490 2HB PHE 9 2HB PHE 9 3.290 3.014 4.333 491 HD1 PHE 9 1HD PHE 9 1.108 0.141 5.444 492 HD2 PHE 9 2HD PHE 9 2.532 2.575 2.184 493 HE1 PHE 9 1HE PHE 9 -0.294 -1.154 3.861 494 HE2 PHE 9 2HE PHE 9 1.107 1.306 0.616 495 HZ PHE 9 HZ PHE 9 -0.287 -0.583 1.439 496 H THR 10 H THR 10 5.521 2.000 4.158 497 HA THR 10 HA THR 10 5.609 -0.488 2.788 498 HB THR 10 HB THR 10 7.914 1.480 3.105 499 HG1 THR 10 1HG THR 10 5.679 1.527 1.360 500 1HG2 THR 10 1HG2 THR 10 8.452 -0.640 1.937 501 2HG2 THR 10 2HG2 THR 10 7.044 -0.432 0.873 502 3HG2 THR 10 3HG2 THR 10 8.404 0.696 0.778 503 H ALA 11 H ALA 11 7.493 0.764 5.571 504 HA ALA 11 HA ALA 11 9.190 -1.500 5.908 505 1HB ALA 11 1HB ALA 11 8.115 0.289 8.114 506 2HB ALA 11 2HB ALA 11 9.637 -0.629 8.087 507 3HB ALA 11 3HB ALA 11 9.423 0.750 7.002 508 H LEU 12 H LEU 12 5.943 -0.846 7.333 509 HA LEU 12 HA LEU 12 5.615 -3.315 8.683 510 1HB LEU 12 1HB LEU 12 4.157 -1.448 9.037 511 2HB LEU 12 2HB LEU 12 3.495 -1.548 7.409 512 HG LEU 12 HG LEU 12 3.383 -4.002 9.189 513 1HD1 LEU 12 1HD1 LEU 12 2.567 -2.243 10.651 514 2HD1 LEU 12 2HD1 LEU 12 1.487 -1.642 9.367 515 3HD1 LEU 12 3HD1 LEU 12 1.210 -3.234 10.101 516 1HD2 LEU 12 1HD2 LEU 12 1.177 -4.288 8.017 517 2HD2 LEU 12 2HD2 LEU 12 1.527 -2.837 7.056 518 3HD2 LEU 12 3HD2 LEU 12 2.520 -4.297 6.890 519 H ILE 13 H ILE 13 4.613 -2.465 5.294 520 HA ILE 13 HA ILE 13 3.709 -5.065 4.637 521 HB ILE 13 HB ILE 13 4.860 -2.865 2.901 522 1HG1 ILE 13 1HG1 ILE 13 2.750 -2.260 4.005 523 2HG1 ILE 13 2HG1 ILE 13 2.548 -2.441 2.268 524 1HG2 ILE 13 1HG2 ILE 13 3.727 -4.067 0.995 525 2HG2 ILE 13 2HG2 ILE 13 5.195 -4.834 1.600 526 3HG2 ILE 13 3HG2 ILE 13 3.612 -5.498 2.041 527 1HD1 ILE 13 1HD1 ILE 13 1.625 -4.367 4.444 528 2HD1 ILE 13 2HD1 ILE 13 0.638 -3.397 3.351 529 3HD1 ILE 13 3HD1 ILE 13 1.574 -4.753 2.709 530 H LYS 14 H LYS 14 7.047 -3.781 4.220 531 HA LYS 14 HA LYS 14 8.155 -6.178 3.137 532 1HB LYS 14 1HB LYS 14 9.341 -3.925 4.796 533 2HB LYS 14 2HB LYS 14 10.307 -5.273 4.171 534 1HG LYS 14 1HG LYS 14 9.671 -4.759 1.874 535 2HG LYS 14 2HG LYS 14 8.608 -3.448 2.413 536 1HD LYS 14 1HD LYS 14 10.505 -2.199 3.314 537 2HD LYS 14 2HD LYS 14 11.611 -3.545 2.974 538 1HE LYS 14 1HE LYS 14 11.217 -3.319 0.554 539 2HE LYS 14 2HE LYS 14 10.038 -2.030 0.835 540 1HZ LYS 14 1HZ LYS 14 12.889 -1.921 1.532 541 2HZ LYS 14 2HZ LYS 14 12.177 -1.163 0.255 542 3HZ LYS 14 3HZ LYS 14 11.793 -0.719 1.794 543 H THR 15 H THR 15 8.021 -5.136 6.592 544 HA THR 15 HA THR 15 9.071 -7.644 7.549 545 HB THR 15 HB THR 15 8.163 -6.952 9.777 546 HG1 THR 15 1HG THR 15 7.416 -4.640 8.295 547 1HG2 THR 15 1HG2 THR 15 9.765 -5.109 10.006 548 2HG2 THR 15 2HG2 THR 15 10.443 -6.408 9.014 549 3HG2 THR 15 3HG2 THR 15 9.845 -4.923 8.242 550 H LEU 16 H LEU 16 5.756 -6.697 6.798 551 HA LEU 16 HA LEU 16 4.449 -8.991 7.862 552 1HB LEU 16 1HB LEU 16 3.413 -6.827 7.059 553 2HB LEU 16 2HB LEU 16 3.600 -7.387 5.406 554 HG LEU 16 HG LEU 16 2.123 -9.056 7.480 555 1HD1 LEU 16 1HD1 LEU 16 0.987 -6.799 5.780 556 2HD1 LEU 16 2HD1 LEU 16 0.044 -7.937 6.766 557 3HD1 LEU 16 3HD1 LEU 16 1.149 -6.803 7.550 558 1HD2 LEU 16 1HD2 LEU 16 1.893 -8.802 4.436 559 2HD2 LEU 16 2HD2 LEU 16 2.553 -10.196 5.315 560 3HD2 LEU 16 3HD2 LEU 16 0.846 -9.802 5.460 561 H ARG 17 H ARG 17 5.597 -8.304 4.528 562 HA ARG 17 HA ARG 17 5.206 -10.838 3.360 563 1HB ARG 17 1HB ARG 17 7.418 -8.783 2.974 564 2HB ARG 17 2HB ARG 17 7.207 -10.187 1.939 565 1HG ARG 17 1HG ARG 17 4.729 -8.555 2.286 566 2HG ARG 17 2HG ARG 17 6.081 -7.697 1.539 567 1HD ARG 17 1HD ARG 17 4.760 -8.739 -0.221 568 2HD ARG 17 2HD ARG 17 6.343 -9.487 -0.138 569 HE ARG 17 HE ARG 17 5.428 -11.490 0.606 570 1HH1 ARG 17 1HH1 ARG 17 2.890 -9.046 0.661 571 2HH1 ARG 17 2HH1 ARG 17 1.598 -10.227 0.699 572 1HH2 ARG 17 1HH2 ARG 17 3.777 -12.987 0.771 573 2HH2 ARG 17 2HH2 ARG 17 2.108 -12.478 0.713 574 H LYS 18 H LYS 18 8.135 -9.649 5.107 575 HA LYS 18 HA LYS 18 9.540 -12.087 4.950 576 1HB LYS 18 1HB LYS 18 10.316 -9.705 5.602 577 2HB LYS 18 2HB LYS 18 9.878 -10.154 7.261 578 1HG LYS 18 1HG LYS 18 11.426 -12.150 7.047 579 2HG LYS 18 2HG LYS 18 11.820 -11.612 5.401 580 1HD LYS 18 1HD LYS 18 12.483 -9.344 6.505 581 2HD LYS 18 2HD LYS 18 12.452 -10.236 8.037 582 1HE LYS 18 1HE LYS 18 14.181 -10.850 5.582 583 2HE LYS 18 2HE LYS 18 14.730 -10.158 7.119 584 1HZ LYS 18 1HZ LYS 18 15.199 -12.460 7.085 585 2HZ LYS 18 2HZ LYS 18 13.984 -12.214 8.179 586 3HZ LYS 18 3HZ LYS 18 13.646 -12.859 6.715 587 H CYS 19 H CYS 19 7.397 -10.938 7.611 588 HA CYS 19 HA CYS 19 7.742 -13.207 9.306 589 1HB CYS 19 1HB CYS 19 6.754 -11.062 10.068 590 2HB CYS 19 2HB CYS 19 5.369 -11.339 9.012 591 H LYS 20 H LYS 20 5.129 -12.478 6.960 592 HA LYS 20 HA LYS 20 3.771 -15.000 7.561 593 1HB LYS 20 1HB LYS 20 3.115 -12.779 5.590 594 2HB LYS 20 2HB LYS 20 2.036 -14.092 6.062 595 1HG LYS 20 1HG LYS 20 3.088 -11.931 7.950 596 2HG LYS 20 2HG LYS 20 1.513 -11.950 7.153 597 1HD LYS 20 1HD LYS 20 0.973 -14.125 8.306 598 2HD LYS 20 2HD LYS 20 2.526 -14.029 9.152 599 1HE LYS 20 1HE LYS 20 0.815 -13.223 10.637 600 2HE LYS 20 2HE LYS 20 1.842 -11.863 10.170 601 1HZ LYS 20 1HZ LYS 20 -0.785 -12.508 8.996 602 2HZ LYS 20 2HZ LYS 20 -0.496 -11.325 10.102 603 3HZ LYS 20 3HZ LYS 20 0.157 -11.218 8.595 604 H ILE 21 H ILE 21 5.741 -13.774 4.881 605 HA ILE 21 HA ILE 21 6.377 -14.602 2.912 606 HB ILE 21 HB ILE 21 5.437 -17.360 3.776 607 1HG1 ILE 21 1HG1 ILE 21 6.961 -16.565 5.491 608 2HG1 ILE 21 2HG1 ILE 21 7.732 -17.786 4.490 609 1HG2 ILE 21 1HG2 ILE 21 7.394 -16.426 1.649 610 2HG2 ILE 21 2HG2 ILE 21 7.175 -18.109 2.174 611 3HG2 ILE 21 3HG2 ILE 21 5.841 -17.243 1.406 612 1HD1 ILE 21 1HD1 ILE 21 9.289 -15.982 5.004 613 2HD1 ILE 21 2HD1 ILE 21 8.974 -16.001 3.264 614 3HD1 ILE 21 3HD1 ILE 21 8.207 -14.776 4.304 615 H ILE 22 H ILE 22 3.313 -16.311 3.647 616 HA ILE 22 HA ILE 22 2.252 -15.844 0.969 617 HB ILE 22 HB ILE 22 0.205 -16.819 1.782 618 1HG1 ILE 22 1HG1 ILE 22 1.479 -16.897 4.559 619 2HG1 ILE 22 2HG1 ILE 22 0.114 -15.884 4.068 620 1HG2 ILE 22 1HG2 ILE 22 2.579 -18.422 2.817 621 2HG2 ILE 22 2HG2 ILE 22 1.053 -19.045 2.157 622 3HG2 ILE 22 3HG2 ILE 22 2.189 -18.210 1.097 623 1HD1 ILE 22 1HD1 ILE 22 -1.195 -17.944 3.534 624 2HD1 ILE 22 2HD1 ILE 22 0.127 -18.912 4.234 625 3HD1 ILE 22 3HD1 ILE 22 -0.758 -17.762 5.245 626 1H ASN 1 1H ASN 1 -17.218 4.883 6.121 627 2H ASN 1 2H ASN 1 -17.204 3.637 5.037 628 3H ASN 1 3H ASN 1 -17.670 3.378 6.599 629 HA ASN 1 HA ASN 1 -15.497 2.530 6.271 630 1HB ASN 1 1HB ASN 1 -15.048 4.198 4.395 631 2HB ASN 1 2HB ASN 1 -14.650 5.391 5.637 632 1HD2 ASN 1 1HD2 ASN 1 -12.699 4.865 7.090 633 2HD2 ASN 1 2HD2 ASN 1 -11.505 3.783 6.375 634 H LEU 2 H LEU 2 -13.921 2.574 8.007 635 HA LEU 2 HA LEU 2 -14.786 3.739 10.475 636 1HB LEU 2 1HB LEU 2 -12.694 2.899 11.392 637 2HB LEU 2 2HB LEU 2 -13.512 1.714 10.381 638 HG LEU 2 HG LEU 2 -11.862 2.596 8.485 639 1HD1 LEU 2 1HD1 LEU 2 -10.269 3.195 11.021 640 2HD1 LEU 2 2HD1 LEU 2 -9.675 3.228 9.348 641 3HD1 LEU 2 3HD1 LEU 2 -10.835 4.428 9.885 642 1HD2 LEU 2 1HD2 LEU 2 -10.261 0.852 9.138 643 2HD2 LEU 2 2HD2 LEU 2 -10.970 0.797 10.768 644 3HD2 LEU 2 3HD2 LEU 2 -11.929 0.303 9.355 645 H VAL 3 H VAL 3 -13.741 5.361 11.758 646 HA VAL 3 HA VAL 3 -13.076 7.731 10.175 647 HB VAL 3 HB VAL 3 -13.260 8.938 12.275 648 1HG1 VAL 3 1HG1 VAL 3 -15.623 8.561 12.697 649 2HG1 VAL 3 2HG1 VAL 3 -15.293 8.420 10.962 650 3HG1 VAL 3 3HG1 VAL 3 -15.553 6.961 11.940 651 1HG2 VAL 3 1HG2 VAL 3 -12.319 7.275 13.854 652 2HG2 VAL 3 2HG2 VAL 3 -13.912 7.846 14.366 653 3HG2 VAL 3 3HG2 VAL 3 -13.750 6.246 13.629 654 H SER 4 H SER 4 -11.292 9.205 10.758 655 HA SER 4 HA SER 4 -8.750 7.812 10.769 656 1HB SER 4 1HB SER 4 -7.857 10.097 10.513 657 2HB SER 4 2HB SER 4 -9.204 9.813 9.395 658 HG SER 4 HG SER 4 -9.370 11.094 11.928 659 H GLY 5 H GLY 5 -9.359 6.801 12.969 660 1HA GLY 5 1HA GLY 5 -8.862 8.320 15.395 661 2HA GLY 5 2HA GLY 5 -8.813 6.562 15.210 662 H LEU 6 H LEU 6 -6.945 9.384 14.108 663 HA LEU 6 HA LEU 6 -4.750 8.285 13.165 664 1HB LEU 6 1HB LEU 6 -5.216 10.680 13.143 665 2HB LEU 6 2HB LEU 6 -4.825 10.805 14.862 666 HG LEU 6 HG LEU 6 -2.458 10.167 14.372 667 1HD1 LEU 6 1HD1 LEU 6 -3.395 10.218 11.461 668 2HD1 LEU 6 2HD1 LEU 6 -1.703 10.193 11.999 669 3HD1 LEU 6 3HD1 LEU 6 -2.740 8.814 12.335 670 1HD2 LEU 6 1HD2 LEU 6 -1.840 12.271 13.296 671 2HD2 LEU 6 2HD2 LEU 6 -3.507 12.490 12.713 672 3HD2 LEU 6 3HD2 LEU 6 -3.156 12.529 14.454 673 H ILE 7 H ILE 7 -4.746 9.247 16.639 674 HA ILE 7 HA ILE 7 -2.205 8.215 17.250 675 HB ILE 7 HB ILE 7 -2.908 8.214 19.587 676 1HG1 ILE 7 1HG1 ILE 7 -5.726 8.765 18.533 677 2HG1 ILE 7 2HG1 ILE 7 -5.186 7.335 19.428 678 1HG2 ILE 7 1HG2 ILE 7 -3.988 10.661 18.130 679 2HG2 ILE 7 2HG2 ILE 7 -3.263 10.590 19.748 680 3HG2 ILE 7 3HG2 ILE 7 -2.263 10.296 18.328 681 1HD1 ILE 7 1HD1 ILE 7 -4.620 8.794 21.375 682 2HD1 ILE 7 2HD1 ILE 7 -5.373 10.160 20.511 683 3HD1 ILE 7 3HD1 ILE 7 -6.344 8.750 20.951 684 H GLU 8 H GLU 8 -5.307 6.453 17.142 685 HA GLU 8 HA GLU 8 -4.106 4.020 18.207 686 1HB GLU 8 1HB GLU 8 -6.479 4.536 18.596 687 2HB GLU 8 2HB GLU 8 -6.796 4.476 16.854 688 1HG GLU 8 1HG GLU 8 -7.430 2.363 18.017 689 2HG GLU 8 2HG GLU 8 -6.202 2.091 16.779 690 H ALA 9 H ALA 9 -4.967 5.306 14.975 691 HA ALA 9 HA ALA 9 -4.215 3.031 13.449 692 1HB ALA 9 1HB ALA 9 -5.405 5.030 12.576 693 2HB ALA 9 2HB ALA 9 -3.889 5.952 12.664 694 3HB ALA 9 3HB ALA 9 -4.019 4.547 11.586 695 H ARG 10 H ARG 10 -2.179 5.769 14.581 696 HA ARG 10 HA ARG 10 0.328 4.755 13.629 697 1HB ARG 10 1HB ARG 10 -0.303 6.570 15.989 698 2HB ARG 10 2HB ARG 10 1.320 6.195 15.392 699 1HG ARG 10 1HG ARG 10 0.595 7.088 13.121 700 2HG ARG 10 2HG ARG 10 -0.865 7.702 13.911 701 1HD ARG 10 1HD ARG 10 0.680 8.839 15.606 702 2HD ARG 10 2HD ARG 10 2.037 8.433 14.552 703 HE ARG 10 HE ARG 10 0.162 10.585 14.273 704 1HH1 ARG 10 1HH1 ARG 10 1.982 8.353 12.177 705 2HH1 ARG 10 2HH1 ARG 10 1.929 9.505 10.835 706 1HH2 ARG 10 1HH2 ARG 10 0.381 12.050 12.549 707 2HH2 ARG 10 2HH2 ARG 10 1.111 11.491 11.055 708 H LYS 11 H LYS 11 -1.180 4.435 16.923 709 HA LYS 11 HA LYS 11 0.830 2.835 18.048 710 1HB LYS 11 1HB LYS 11 -1.167 3.950 19.132 711 2HB LYS 11 2HB LYS 11 -2.145 2.566 18.598 712 1HG LYS 11 1HG LYS 11 -0.296 1.159 19.849 713 2HG LYS 11 2HG LYS 11 0.137 2.685 20.607 714 1HD LYS 11 1HD LYS 11 -2.646 1.382 20.674 715 2HD LYS 11 2HD LYS 11 -1.425 1.274 21.941 716 1HE LYS 11 1HE LYS 11 -2.856 2.942 22.721 717 2HE LYS 11 2HE LYS 11 -1.494 3.856 22.058 718 1HZ LYS 11 1HZ LYS 11 -4.058 3.322 20.700 719 2HZ LYS 11 2HZ LYS 11 -3.641 4.738 21.434 720 3HZ LYS 11 3HZ LYS 11 -2.831 4.237 20.094 721 H TYR 12 H TYR 12 -2.059 1.776 16.266 722 HA TYR 12 HA TYR 12 -1.699 -1.033 16.239 723 1HB TYR 12 1HB TYR 12 -3.751 0.123 15.700 724 2HB TYR 12 2HB TYR 12 -3.006 0.935 14.340 725 HD1 TYR 12 1HD TYR 12 -2.908 -0.053 12.193 726 HD2 TYR 12 2HD TYR 12 -4.304 -2.328 15.567 727 HE1 TYR 12 1HE TYR 12 -4.261 -1.450 10.678 728 HE2 TYR 12 2HE TYR 12 -5.647 -3.758 14.035 729 HH TYR 12 HH TYR 12 -5.916 -3.012 10.565 730 H LEU 13 H LEU 13 -0.773 1.367 13.685 731 HA LEU 13 HA LEU 13 0.722 -0.271 11.993 732 1HB LEU 13 1HB LEU 13 0.240 1.991 11.396 733 2HB LEU 13 2HB LEU 13 1.026 2.621 12.832 734 HG LEU 13 HG LEU 13 3.241 2.006 11.978 735 1HD1 LEU 13 1HD1 LEU 13 1.749 1.124 9.465 736 2HD1 LEU 13 2HD1 LEU 13 3.506 1.299 9.629 737 3HD1 LEU 13 3HD1 LEU 13 2.664 0.069 10.570 738 1HD2 LEU 13 1HD2 LEU 13 3.324 3.680 10.193 739 2HD2 LEU 13 2HD2 LEU 13 1.557 3.606 10.012 740 3HD2 LEU 13 3HD2 LEU 13 2.278 4.226 11.514 741 H GLU 14 H GLU 14 2.082 1.570 14.780 742 HA GLU 14 HA GLU 14 4.692 0.477 14.519 743 1HB GLU 14 1HB GLU 14 3.266 1.689 16.924 744 2HB GLU 14 2HB GLU 14 4.998 1.329 16.864 745 1HG GLU 14 1HG GLU 14 3.535 3.284 15.023 746 2HG GLU 14 2HG GLU 14 4.583 3.703 16.378 747 H GLN 15 H GLN 15 2.062 -0.581 16.770 748 HA GLN 15 HA GLN 15 3.482 -2.723 17.979 749 1HB GLN 15 1HB GLN 15 0.551 -2.350 17.297 750 2HB GLN 15 2HB GLN 15 1.143 -3.742 18.209 751 1HG GLN 15 1HG GLN 15 1.948 -2.402 20.020 752 2HG GLN 15 2HG GLN 15 1.680 -0.894 19.139 753 1HE2 GLN 15 1HE2 GLN 15 -0.683 -0.771 18.233 754 2HE2 GLN 15 2HE2 GLN 15 -1.950 -1.129 19.424 755 H LEU 16 H LEU 16 1.379 -2.816 15.043 756 HA LEU 16 HA LEU 16 1.838 -5.584 14.493 757 1HB LEU 16 1HB LEU 16 1.096 -3.264 12.680 758 2HB LEU 16 2HB LEU 16 1.075 -4.958 12.170 759 HG LEU 16 HG LEU 16 -0.597 -3.879 14.493 760 1HD1 LEU 16 1HD1 LEU 16 -1.320 -4.429 11.594 761 2HD1 LEU 16 2HD1 LEU 16 -2.460 -3.964 12.880 762 3HD1 LEU 16 3HD1 LEU 16 -1.215 -2.821 12.345 763 1HD2 LEU 16 1HD2 LEU 16 -1.888 -5.958 14.166 764 2HD2 LEU 16 2HD2 LEU 16 -0.716 -6.506 12.946 765 3HD2 LEU 16 3HD2 LEU 16 -0.232 -6.311 14.646 766 H HIS 17 H HIS 17 3.452 -2.687 13.036 767 HA HIS 17 HA HIS 17 5.270 -4.106 11.428 768 1HB HIS 17 1HB HIS 17 4.892 -1.685 11.316 769 2HB HIS 17 2HB HIS 17 5.635 -1.476 12.904 770 HD1 HIS 17 1HD HIS 17 7.361 -3.804 10.351 771 HD2 HIS 17 2HD HIS 17 7.538 0.122 11.902 772 HE1 HIS 17 1HE HIS 17 9.578 -2.802 9.599 773 H ARG 18 H ARG 18 5.684 -3.079 14.865 774 HA ARG 18 HA ARG 18 8.254 -4.200 15.250 775 1HB ARG 18 1HB ARG 18 7.066 -2.628 16.813 776 2HB ARG 18 2HB ARG 18 6.040 -3.977 17.327 777 1HG ARG 18 1HG ARG 18 8.233 -5.231 17.850 778 2HG ARG 18 2HG ARG 18 9.067 -3.698 17.592 779 1HD ARG 18 1HD ARG 18 7.676 -2.684 19.402 780 2HD ARG 18 2HD ARG 18 6.903 -4.247 19.688 781 HE ARG 18 HE ARG 18 9.507 -3.376 20.584 782 1HH1 ARG 18 1HH1 ARG 18 7.768 -6.301 19.664 783 2HH1 ARG 18 2HH1 ARG 18 9.066 -7.370 20.157 784 1HH2 ARG 18 1HH2 ARG 18 11.048 -4.775 21.443 785 2HH2 ARG 18 2HH2 ARG 18 10.816 -6.507 21.347 786 H LYS 19 H LYS 19 5.034 -5.698 15.969 787 HA LYS 19 HA LYS 19 5.984 -8.198 16.853 788 1HB LYS 19 1HB LYS 19 3.680 -7.389 17.095 789 2HB LYS 19 2HB LYS 19 3.433 -7.532 15.345 790 1HG LYS 19 1HG LYS 19 3.741 -9.983 15.472 791 2HG LYS 19 2HG LYS 19 4.196 -9.854 17.176 792 1HD LYS 19 1HD LYS 19 1.911 -10.633 17.019 793 2HD LYS 19 2HD LYS 19 1.919 -9.011 17.727 794 1HE LYS 19 1HE LYS 19 1.248 -8.034 15.562 795 2HE LYS 19 2HE LYS 19 1.372 -9.620 14.778 796 1HZ LYS 19 1HZ LYS 19 -0.487 -8.910 16.939 797 2HZ LYS 19 2HZ LYS 19 -0.875 -9.068 15.346 798 3HZ LYS 19 3HZ LYS 19 -0.384 -10.383 16.208 799 H LEU 20 H LEU 20 5.085 -7.194 13.537 800 HA LEU 20 HA LEU 20 5.688 -9.665 12.257 801 1HB LEU 20 1HB LEU 20 5.629 -6.835 11.196 802 2HB LEU 20 2HB LEU 20 5.706 -8.284 10.185 803 HG LEU 20 HG LEU 20 3.440 -7.817 12.188 804 1HD1 LEU 20 1HD1 LEU 20 3.458 -5.972 10.600 805 2HD1 LEU 20 2HD1 LEU 20 3.586 -7.109 9.248 806 3HD1 LEU 20 3HD1 LEU 20 2.111 -7.067 10.241 807 1HD2 LEU 20 1HD2 LEU 20 3.720 -9.715 9.837 808 2HD2 LEU 20 2HD2 LEU 20 3.625 -10.144 11.556 809 3HD2 LEU 20 3HD2 LEU 20 2.232 -9.417 10.752 810 H LYS 21 H LYS 21 7.761 -6.731 12.721 811 HA LYS 21 HA LYS 21 10.116 -7.811 11.591 812 1HB LYS 21 1HB LYS 21 9.902 -5.466 12.249 813 2HB LYS 21 2HB LYS 21 9.753 -5.910 13.941 814 1HG LYS 21 1HG LYS 21 11.974 -5.060 13.443 815 2HG LYS 21 2HG LYS 21 12.057 -6.729 14.011 816 1HD LYS 21 1HD LYS 21 12.366 -7.534 11.687 817 2HD LYS 21 2HD LYS 21 12.156 -5.880 11.072 818 1HE LYS 21 1HE LYS 21 14.180 -5.166 12.326 819 2HE LYS 21 2HE LYS 21 14.361 -6.808 12.975 820 1HZ LYS 21 1HZ LYS 21 14.474 -6.074 10.133 821 2HZ LYS 21 2HZ LYS 21 15.764 -6.444 11.088 822 3HZ LYS 21 3HZ LYS 21 14.640 -7.597 10.740 823 H ASN 22 H ASN 22 8.808 -8.178 14.895 824 HA ASN 22 HA ASN 22 10.999 -9.674 15.975 825 1HB ASN 22 1HB ASN 22 8.108 -9.342 16.820 826 2HB ASN 22 2HB ASN 22 9.175 -10.490 17.623 827 1HD2 ASN 22 1HD2 ASN 22 9.510 -7.053 16.485 828 2HD2 ASN 22 2HD2 ASN 22 10.246 -6.540 18.007 829 H CYS 23 H CYS 23 8.450 -10.765 13.774 830 HA CYS 23 HA CYS 23 8.737 -13.577 14.271 831 1HB CYS 23 1HB CYS 23 8.393 -12.307 11.544 832 2HB CYS 23 2HB CYS 23 7.944 -13.938 12.053 833 H LYS 24 H LYS 24 10.760 -11.234 12.556 834 HA LYS 24 HA LYS 24 12.740 -11.264 11.554 835 1HB LYS 24 1HB LYS 24 13.252 -13.635 13.375 836 2HB LYS 24 2HB LYS 24 14.491 -12.765 12.463 837 1HG LYS 24 1HG LYS 24 13.907 -10.658 13.579 838 2HG LYS 24 2HG LYS 24 12.645 -11.450 14.512 839 1HD LYS 24 1HD LYS 24 15.605 -12.199 14.624 840 2HD LYS 24 2HD LYS 24 14.823 -11.086 15.750 841 1HE LYS 24 1HE LYS 24 14.071 -14.032 15.405 842 2HE LYS 24 2HE LYS 24 15.055 -13.353 16.702 843 1HZ LYS 24 1HZ LYS 24 13.185 -12.014 17.353 844 2HZ LYS 24 2HZ LYS 24 12.240 -12.671 16.176 845 3HZ LYS 24 3HZ LYS 24 12.813 -13.617 17.393 846 H VAL 25 H VAL 25 12.013 -14.760 11.693 847 HA VAL 25 HA VAL 25 12.313 -16.428 10.177 848 HB VAL 25 HB VAL 25 10.988 -14.468 8.266 849 1HG1 VAL 25 1HG1 VAL 25 10.797 -17.506 8.567 850 2HG1 VAL 25 2HG1 VAL 25 9.881 -16.514 7.418 851 3HG1 VAL 25 3HG1 VAL 25 11.632 -16.663 7.246 852 1HG2 VAL 25 1HG2 VAL 25 9.789 -16.134 10.519 853 2HG2 VAL 25 2HG2 VAL 25 9.742 -14.365 10.344 854 3HG2 VAL 25 3HG2 VAL 25 8.850 -15.385 9.214 Start of MODEL 12 1 1H GLU 1 1H GLU 1 -6.877 10.061 6.247 2 2H GLU 1 2H GLU 1 -7.586 9.248 5.002 3 3H GLU 1 3H GLU 1 -8.089 10.764 5.374 4 HA GLU 1 HA GLU 1 -5.460 9.974 4.327 5 1HB GLU 1 1HB GLU 1 -7.787 11.452 3.035 6 2HB GLU 1 2HB GLU 1 -6.163 11.355 2.335 7 1HG GLU 1 1HG GLU 1 -6.296 8.914 2.198 8 2HG GLU 1 2HG GLU 1 -7.876 8.912 2.997 9 H ASN 2 H ASN 2 -7.455 12.608 5.606 10 HA ASN 2 HA ASN 2 -5.625 14.741 5.216 11 1HB ASN 2 1HB ASN 2 -6.946 15.906 6.928 12 2HB ASN 2 2HB ASN 2 -7.962 15.147 5.695 13 1HD2 ASN 2 1HD2 ASN 2 -8.820 15.946 8.424 14 2HD2 ASN 2 2HD2 ASN 2 -9.198 14.425 9.248 15 H ARG 3 H ARG 3 -6.216 12.902 8.285 16 HA ARG 3 HA ARG 3 -3.690 14.004 9.375 17 1HB ARG 3 1HB ARG 3 -5.763 12.201 10.642 18 2HB ARG 3 2HB ARG 3 -4.385 12.941 11.454 19 1HG ARG 3 1HG ARG 3 -6.710 14.470 10.203 20 2HG ARG 3 2HG ARG 3 -6.443 14.138 11.909 21 1HD ARG 3 1HD ARG 3 -5.677 16.309 11.720 22 2HD ARG 3 2HD ARG 3 -4.191 15.372 11.661 23 HE ARG 3 HE ARG 3 -5.671 16.439 9.250 24 1HH1 ARG 3 1HH1 ARG 3 -2.487 16.050 10.857 25 2HH1 ARG 3 2HH1 ARG 3 -1.672 16.717 9.444 26 1HH2 ARG 3 1HH2 ARG 3 -4.451 17.330 7.542 27 2HH2 ARG 3 2HH2 ARG 3 -2.716 17.459 7.735 28 H GLU 4 H GLU 4 -2.659 12.906 7.476 29 HA GLU 4 HA GLU 4 -0.972 11.559 6.823 30 1HB GLU 4 1HB GLU 4 -0.842 11.150 9.828 31 2HB GLU 4 2HB GLU 4 0.328 10.406 8.740 32 1HG GLU 4 1HG GLU 4 -0.229 13.405 8.755 33 2HG GLU 4 2HG GLU 4 1.018 12.630 9.741 34 H VAL 5 H VAL 5 -2.509 9.452 9.293 35 HA VAL 5 HA VAL 5 -1.964 7.100 7.619 36 HB VAL 5 HB VAL 5 -3.342 7.355 10.305 37 1HG1 VAL 5 1HG1 VAL 5 -2.555 4.913 8.640 38 2HG1 VAL 5 2HG1 VAL 5 -2.975 4.857 10.356 39 3HG1 VAL 5 3HG1 VAL 5 -4.194 5.354 9.174 40 1HG2 VAL 5 1HG2 VAL 5 -0.591 6.283 9.527 41 2HG2 VAL 5 2HG2 VAL 5 -0.877 7.850 10.308 42 3HG2 VAL 5 3HG2 VAL 5 -1.271 6.353 11.164 43 HA PRO 6 HA PRO 6 -6.039 7.811 5.806 44 1HB PRO 6 1HB PRO 6 -5.951 6.128 3.691 45 2HB PRO 6 2HB PRO 6 -4.893 7.564 3.796 46 1HG PRO 6 1HG PRO 6 -4.168 4.714 4.522 47 2HG PRO 6 2HG PRO 6 -3.270 5.850 3.475 48 1HD PRO 6 1HD PRO 6 -2.699 5.497 6.137 49 2HD PRO 6 2HD PRO 6 -2.484 7.065 5.308 50 HA PRO 7 HA PRO 7 -8.530 4.482 7.737 51 1HB PRO 7 1HB PRO 7 -10.319 5.255 5.413 52 2HB PRO 7 2HB PRO 7 -10.787 4.863 7.095 53 1HG PRO 7 1HG PRO 7 -10.611 7.453 6.348 54 2HG PRO 7 2HG PRO 7 -9.860 6.942 7.889 55 1HD PRO 7 1HD PRO 7 -8.508 7.380 5.216 56 2HD PRO 7 2HD PRO 7 -8.006 7.919 6.855 57 H GLY 8 H GLY 8 -7.923 4.721 4.243 58 1HA GLY 8 1HA GLY 8 -8.310 2.199 3.222 59 2HA GLY 8 2HA GLY 8 -6.927 3.225 2.829 60 H PHE 9 H PHE 9 -5.637 3.151 5.450 61 HA PHE 9 HA PHE 9 -4.185 0.652 5.245 62 1HB PHE 9 1HB PHE 9 -3.031 2.570 6.078 63 2HB PHE 9 2HB PHE 9 -4.266 2.881 7.294 64 HD1 PHE 9 1HD PHE 9 -3.631 2.434 9.487 65 HD2 PHE 9 2HD PHE 9 -2.153 -0.093 6.321 66 HE1 PHE 9 1HE PHE 9 -2.439 1.046 11.152 67 HE2 PHE 9 2HE PHE 9 -0.964 -1.485 7.993 68 HZ PHE 9 HZ PHE 9 -1.140 -0.945 10.416 69 H THR 10 H THR 10 -6.532 1.900 7.696 70 HA THR 10 HA THR 10 -6.715 -0.451 9.243 71 HB THR 10 HB THR 10 -8.949 1.554 8.702 72 HG1 THR 10 1HG THR 10 -6.768 1.712 10.504 73 1HG2 THR 10 1HG2 THR 10 -8.200 -0.097 11.165 74 2HG2 THR 10 2HG2 THR 10 -9.508 1.099 11.067 75 3HG2 THR 10 3HG2 THR 10 -9.598 -0.390 10.107 76 H ALA 11 H ALA 11 -8.631 0.601 6.409 77 HA ALA 11 HA ALA 11 -10.355 -1.674 6.297 78 1HB ALA 11 1HB ALA 11 -9.506 0.254 4.117 79 2HB ALA 11 2HB ALA 11 -10.925 -0.830 4.085 80 3HB ALA 11 3HB ALA 11 -10.838 0.490 5.261 81 H LEU 12 H LEU 12 -7.197 -1.041 4.665 82 HA LEU 12 HA LEU 12 -6.949 -3.503 3.283 83 1HB LEU 12 1HB LEU 12 -5.490 -1.624 2.945 84 2HB LEU 12 2HB LEU 12 -4.805 -1.751 4.560 85 HG LEU 12 HG LEU 12 -4.648 -4.062 2.611 86 1HD1 LEU 12 1HD1 LEU 12 -3.753 -2.153 1.400 87 2HD1 LEU 12 2HD1 LEU 12 -2.781 -1.673 2.809 88 3HD1 LEU 12 3HD1 LEU 12 -2.410 -3.168 1.927 89 1HD2 LEU 12 1HD2 LEU 12 -3.869 -4.659 4.874 90 2HD2 LEU 12 2HD2 LEU 12 -2.468 -4.472 3.839 91 3HD2 LEU 12 3HD2 LEU 12 -2.903 -3.171 4.962 92 H ILE 13 H ILE 13 -5.805 -2.676 6.605 93 HA ILE 13 HA ILE 13 -4.960 -5.265 7.352 94 HB ILE 13 HB ILE 13 -6.077 -2.939 8.938 95 1HG1 ILE 13 1HG1 ILE 13 -3.857 -2.669 7.788 96 2HG1 ILE 13 2HG1 ILE 13 -3.856 -2.431 9.531 97 1HG2 ILE 13 1HG2 ILE 13 -6.581 -4.814 10.339 98 2HG2 ILE 13 2HG2 ILE 13 -4.983 -5.535 10.068 99 3HG2 ILE 13 3HG2 ILE 13 -5.151 -4.013 10.979 100 1HD1 ILE 13 1HD1 ILE 13 -2.851 -4.666 9.864 101 2HD1 ILE 13 2HD1 ILE 13 -2.886 -4.954 8.109 102 3HD1 ILE 13 3HD1 ILE 13 -1.875 -3.670 8.781 103 H LYS 14 H LYS 14 -8.236 -3.845 7.815 104 HA LYS 14 HA LYS 14 -9.427 -6.163 8.944 105 1HB LYS 14 1HB LYS 14 -10.579 -3.887 7.302 106 2HB LYS 14 2HB LYS 14 -11.568 -5.169 8.025 107 1HG LYS 14 1HG LYS 14 -10.854 -4.587 10.268 108 2HG LYS 14 2HG LYS 14 -9.641 -3.470 9.658 109 1HD LYS 14 1HD LYS 14 -11.569 -2.218 10.468 110 2HD LYS 14 2HD LYS 14 -11.351 -1.986 8.732 111 1HE LYS 14 1HE LYS 14 -13.729 -2.255 9.322 112 2HE LYS 14 2HE LYS 14 -13.199 -3.559 8.256 113 1HZ LYS 14 1HZ LYS 14 -12.987 -4.959 10.187 114 2HZ LYS 14 2HZ LYS 14 -13.443 -3.731 11.183 115 3HZ LYS 14 3HZ LYS 14 -14.516 -4.349 10.096 116 H THR 15 H THR 15 -9.464 -5.167 5.465 117 HA THR 15 HA THR 15 -10.791 -7.545 4.598 118 HB THR 15 HB THR 15 -9.915 -6.990 2.319 119 HG1 THR 15 1HG THR 15 -8.879 -4.715 3.669 120 1HG2 THR 15 1HG2 THR 15 -11.313 -4.988 2.114 121 2HG2 THR 15 2HG2 THR 15 -12.083 -6.167 3.182 122 3HG2 THR 15 3HG2 THR 15 -11.276 -4.741 3.870 123 H LEU 16 H LEU 16 -7.286 -6.895 4.877 124 HA LEU 16 HA LEU 16 -6.360 -9.412 3.948 125 1HB LEU 16 1HB LEU 16 -4.996 -7.426 4.440 126 2HB LEU 16 2HB LEU 16 -5.215 -7.644 6.166 127 HG LEU 16 HG LEU 16 -4.007 -9.850 4.446 128 1HD1 LEU 16 1HD1 LEU 16 -2.546 -7.486 5.697 129 2HD1 LEU 16 2HD1 LEU 16 -1.778 -8.900 4.943 130 3HD1 LEU 16 3HD1 LEU 16 -2.743 -7.792 3.958 131 1HD2 LEU 16 1HD2 LEU 16 -4.501 -10.522 6.773 132 2HD2 LEU 16 2HD2 LEU 16 -2.764 -10.340 6.572 133 3HD2 LEU 16 3HD2 LEU 16 -3.691 -9.067 7.386 134 H ARG 17 H ARG 17 -7.044 -8.427 7.351 135 HA ARG 17 HA ARG 17 -6.730 -10.936 8.564 136 1HB ARG 17 1HB ARG 17 -6.865 -8.918 9.816 137 2HB ARG 17 2HB ARG 17 -8.500 -8.559 9.262 138 1HG ARG 17 1HG ARG 17 -8.051 -11.173 10.706 139 2HG ARG 17 2HG ARG 17 -7.984 -9.687 11.650 140 1HD ARG 17 1HD ARG 17 -10.185 -9.012 11.055 141 2HD ARG 17 2HD ARG 17 -10.369 -10.262 9.835 142 HE ARG 17 HE ARG 17 -10.693 -10.545 12.707 143 1HH1 ARG 17 1HH1 ARG 17 -9.820 -12.425 9.785 144 2HH1 ARG 17 2HH1 ARG 17 -10.541 -13.875 10.432 145 1HH2 ARG 17 1HH2 ARG 17 -11.474 -12.513 13.488 146 2HH2 ARG 17 2HH2 ARG 17 -11.360 -13.953 12.498 147 H LYS 18 H LYS 18 -9.688 -9.600 7.035 148 HA LYS 18 HA LYS 18 -11.343 -11.879 7.637 149 1HB LYS 18 1HB LYS 18 -11.529 -9.706 5.528 150 2HB LYS 18 2HB LYS 18 -12.771 -10.945 5.792 151 1HG LYS 18 1HG LYS 18 -13.149 -10.231 8.070 152 2HG LYS 18 2HG LYS 18 -11.812 -9.076 7.994 153 1HD LYS 18 1HD LYS 18 -12.974 -7.824 6.190 154 2HD LYS 18 2HD LYS 18 -14.332 -8.965 6.274 155 1HE LYS 18 1HE LYS 18 -14.703 -8.340 8.659 156 2HE LYS 18 2HE LYS 18 -13.342 -7.204 8.571 157 1HZ LYS 18 1HZ LYS 18 -15.440 -6.111 8.260 158 2HZ LYS 18 2HZ LYS 18 -14.538 -6.003 6.884 159 3HZ LYS 18 3HZ LYS 18 -15.798 -7.061 6.963 160 H CYS 19 H CYS 19 -9.587 -11.017 4.581 161 HA CYS 19 HA CYS 19 -10.200 -13.357 3.132 162 1HB CYS 19 1HB CYS 19 -9.143 -11.449 2.074 163 2HB CYS 19 2HB CYS 19 -7.709 -11.617 3.082 164 H LYS 20 H LYS 20 -7.519 -12.826 5.455 165 HA LYS 20 HA LYS 20 -6.460 -15.524 5.137 166 1HB LYS 20 1HB LYS 20 -5.993 -13.396 7.248 167 2HB LYS 20 2HB LYS 20 -5.062 -14.887 7.091 168 1HG LYS 20 1HG LYS 20 -5.165 -12.637 5.027 169 2HG LYS 20 2HG LYS 20 -3.871 -12.997 6.164 170 1HD LYS 20 1HD LYS 20 -2.962 -14.124 4.427 171 2HD LYS 20 2HD LYS 20 -4.039 -15.428 4.936 172 1HE LYS 20 1HE LYS 20 -5.751 -14.547 3.260 173 2HE LYS 20 2HE LYS 20 -4.579 -13.321 2.771 174 1HZ LYS 20 1HZ LYS 20 -4.548 -15.213 1.337 175 2HZ LYS 20 2HZ LYS 20 -3.105 -15.093 2.124 176 3HZ LYS 20 3HZ LYS 20 -4.206 -16.227 2.590 177 H ILE 21 H ILE 21 -9.344 -14.622 6.590 178 HA ILE 21 HA ILE 21 -10.823 -15.724 7.811 179 HB ILE 21 HB ILE 21 -8.985 -18.142 7.828 180 1HG1 ILE 21 1HG1 ILE 21 -9.241 -17.489 5.502 181 2HG1 ILE 21 2HG1 ILE 21 -10.171 -18.936 5.853 182 1HG2 ILE 21 1HG2 ILE 21 -10.791 -18.370 9.404 183 2HG2 ILE 21 2HG2 ILE 21 -11.983 -17.831 8.209 184 3HG2 ILE 21 3HG2 ILE 21 -11.137 -19.378 7.995 185 1HD1 ILE 21 1HD1 ILE 21 -11.413 -17.430 4.388 186 2HD1 ILE 21 2HD1 ILE 21 -12.262 -17.587 5.933 187 3HD1 ILE 21 3HD1 ILE 21 -11.318 -16.123 5.573 188 H ILE 22 H ILE 22 -7.627 -16.560 9.182 189 HA ILE 22 HA ILE 22 -8.522 -16.570 11.929 190 HB ILE 22 HB ILE 22 -5.747 -16.310 10.706 191 1HG1 ILE 22 1HG1 ILE 22 -7.225 -18.744 11.824 192 2HG1 ILE 22 2HG1 ILE 22 -6.976 -18.408 10.106 193 1HG2 ILE 22 1HG2 ILE 22 -6.566 -17.000 13.566 194 2HG2 ILE 22 2HG2 ILE 22 -4.907 -16.997 12.934 195 3HG2 ILE 22 3HG2 ILE 22 -5.787 -15.488 13.057 196 1HD1 ILE 22 1HD1 ILE 22 -4.499 -18.469 10.474 197 2HD1 ILE 22 2HD1 ILE 22 -4.811 -19.060 12.126 198 3HD1 ILE 22 3HD1 ILE 22 -5.347 -20.006 10.732 199 1H ASN 1 1H ASN 1 9.855 9.574 1.574 200 2H ASN 1 2H ASN 1 8.936 10.936 1.417 201 3H ASN 1 3H ASN 1 10.529 10.962 1.006 202 HA ASN 1 HA ASN 1 10.160 9.439 -0.784 203 1HB ASN 1 1HB ASN 1 7.252 9.638 0.088 204 2HB ASN 1 2HB ASN 1 7.821 8.897 -1.410 205 1HD2 ASN 1 1HD2 ASN 1 9.321 6.964 -1.216 206 2HD2 ASN 1 2HD2 ASN 1 9.094 5.967 0.211 207 H LEU 2 H LEU 2 10.828 10.901 -2.267 208 HA LEU 2 HA LEU 2 9.768 13.576 -2.431 209 1HB LEU 2 1HB LEU 2 11.705 12.029 -4.196 210 2HB LEU 2 2HB LEU 2 11.316 13.735 -4.389 211 HG LEU 2 HG LEU 2 13.406 13.543 -3.319 212 1HD1 LEU 2 1HD1 LEU 2 11.894 15.398 -2.609 213 2HD1 LEU 2 2HD1 LEU 2 11.435 14.440 -1.181 214 3HD1 LEU 2 3HD1 LEU 2 13.113 14.958 -1.399 215 1HD2 LEU 2 1HD2 LEU 2 13.893 12.507 -1.240 216 2HD2 LEU 2 2HD2 LEU 2 12.205 12.089 -0.939 217 3HD2 LEU 2 3HD2 LEU 2 13.103 11.290 -2.257 218 H VAL 3 H VAL 3 7.534 12.844 -2.700 219 HA VAL 3 HA VAL 3 5.611 12.960 -3.865 220 HB VAL 3 HB VAL 3 7.293 13.889 -6.232 221 1HG1 VAL 3 1HG1 VAL 3 5.169 14.926 -6.976 222 2HG1 VAL 3 2HG1 VAL 3 5.043 13.166 -6.943 223 3HG1 VAL 3 3HG1 VAL 3 4.309 14.130 -5.643 224 1HG2 VAL 3 1HG2 VAL 3 6.610 16.148 -5.478 225 2HG2 VAL 3 2HG2 VAL 3 5.847 15.442 -4.040 226 3HG2 VAL 3 3HG2 VAL 3 7.607 15.346 -4.262 227 H SER 4 H SER 4 7.803 11.755 -6.367 228 HA SER 4 HA SER 4 6.433 9.790 -7.718 229 1HB SER 4 1HB SER 4 8.685 8.659 -7.853 230 2HB SER 4 2HB SER 4 8.736 10.392 -8.199 231 HG SER 4 HG SER 4 9.541 10.769 -6.118 232 H GLY 5 H GLY 5 8.517 8.894 -5.015 233 1HA GLY 5 1HA GLY 5 7.519 6.365 -4.424 234 2HA GLY 5 2HA GLY 5 8.279 7.419 -3.235 235 H LEU 6 H LEU 6 6.092 9.480 -3.369 236 HA LEU 6 HA LEU 6 4.423 8.266 -1.315 237 1HB LEU 6 1HB LEU 6 5.166 10.542 -1.035 238 2HB LEU 6 2HB LEU 6 4.464 11.033 -2.575 239 HG LEU 6 HG LEU 6 2.192 10.638 -1.741 240 1HD1 LEU 6 1HD1 LEU 6 3.597 9.851 0.853 241 2HD1 LEU 6 2HD1 LEU 6 1.857 10.204 0.705 242 3HD1 LEU 6 3HD1 LEU 6 2.551 8.825 -0.149 243 1HD2 LEU 6 1HD2 LEU 6 2.148 12.493 -0.129 244 2HD2 LEU 6 2HD2 LEU 6 3.905 12.344 0.109 245 3HD2 LEU 6 3HD2 LEU 6 3.254 12.840 -1.467 246 H ILE 7 H ILE 7 3.801 9.681 -4.590 247 HA ILE 7 HA ILE 7 1.064 8.795 -4.642 248 HB ILE 7 HB ILE 7 1.046 9.226 -6.991 249 1HG1 ILE 7 1HG1 ILE 7 4.043 9.742 -6.854 250 2HG1 ILE 7 2HG1 ILE 7 3.277 8.353 -7.644 251 1HG2 ILE 7 1HG2 ILE 7 0.913 11.061 -5.278 252 2HG2 ILE 7 2HG2 ILE 7 2.630 11.404 -5.566 253 3HG2 ILE 7 3HG2 ILE 7 1.441 11.606 -6.870 254 1HD1 ILE 7 1HD1 ILE 7 2.059 9.932 -9.156 255 2HD1 ILE 7 2HD1 ILE 7 3.018 11.264 -8.462 256 3HD1 ILE 7 3HD1 ILE 7 3.826 9.952 -9.328 257 H GLU 8 H GLU 8 4.088 7.207 -5.717 258 HA GLU 8 HA GLU 8 2.946 4.812 -6.687 259 1HB GLU 8 1HB GLU 8 5.294 5.502 -6.906 260 2HB GLU 8 2HB GLU 8 5.570 5.208 -5.188 261 1HG GLU 8 1HG GLU 8 4.633 3.081 -7.185 262 2HG GLU 8 2HG GLU 8 6.327 3.378 -6.781 263 H ALA 9 H ALA 9 4.038 5.512 -3.289 264 HA ALA 9 HA ALA 9 3.109 3.134 -2.131 265 1HB ALA 9 1HB ALA 9 4.578 4.716 -0.990 266 2HB ALA 9 2HB ALA 9 3.265 5.911 -0.894 267 3HB ALA 9 3HB ALA 9 3.140 4.378 -0.008 268 H ARG 10 H ARG 10 1.302 6.181 -2.650 269 HA ARG 10 HA ARG 10 -1.105 5.372 -1.363 270 1HB ARG 10 1HB ARG 10 -0.222 7.677 -2.119 271 2HB ARG 10 2HB ARG 10 -0.970 7.339 -3.678 272 1HG ARG 10 1HG ARG 10 -2.409 7.330 -0.966 273 2HG ARG 10 2HG ARG 10 -2.271 8.731 -2.029 274 1HD ARG 10 1HD ARG 10 -3.426 7.439 -3.837 275 2HD ARG 10 2HD ARG 10 -3.768 6.162 -2.645 276 HE ARG 10 HE ARG 10 -4.641 8.382 -1.339 277 1HH1 ARG 10 1HH1 ARG 10 -5.433 7.127 -4.539 278 2HH1 ARG 10 2HH1 ARG 10 -6.923 8.041 -4.649 279 1HH2 ARG 10 1HH2 ARG 10 -6.584 9.480 -1.453 280 2HH2 ARG 10 2HH2 ARG 10 -7.595 9.333 -2.869 281 H LYS 11 H LYS 11 -0.229 5.273 -4.860 282 HA LYS 11 HA LYS 11 -2.587 3.947 -5.793 283 1HB LYS 11 1HB LYS 11 0.277 4.009 -6.808 284 2HB LYS 11 2HB LYS 11 -1.063 3.267 -7.696 285 1HG LYS 11 1HG LYS 11 -2.247 5.366 -7.868 286 2HG LYS 11 2HG LYS 11 -1.096 6.181 -6.799 287 1HD LYS 11 1HD LYS 11 0.737 5.761 -8.418 288 2HD LYS 11 2HD LYS 11 -0.409 4.961 -9.514 289 1HE LYS 11 1HE LYS 11 -1.721 7.071 -9.678 290 2HE LYS 11 2HE LYS 11 -0.594 7.864 -8.561 291 1HZ LYS 11 1HZ LYS 11 1.150 7.493 -10.151 292 2HZ LYS 11 2HZ LYS 11 0.105 6.756 -11.190 293 3HZ LYS 11 3HZ LYS 11 -0.078 8.354 -10.834 294 H TYR 12 H TYR 12 0.573 2.611 -4.753 295 HA TYR 12 HA TYR 12 0.000 -0.127 -5.020 296 1HB TYR 12 1HB TYR 12 2.219 0.772 -4.665 297 2HB TYR 12 2HB TYR 12 1.783 1.350 -3.061 298 HD1 TYR 12 1HD TYR 12 1.780 -0.118 -1.155 299 HD2 TYR 12 2HD TYR 12 2.363 -1.703 -5.117 300 HE1 TYR 12 1HE TYR 12 2.456 -2.300 -0.186 301 HE2 TYR 12 2HE TYR 12 3.039 -3.882 -4.145 302 HH TYR 12 HH TYR 12 3.400 -5.062 -2.243 303 H LEU 13 H LEU 13 -0.483 1.965 -2.116 304 HA LEU 13 HA LEU 13 -1.691 0.094 -0.402 305 1HB LEU 13 1HB LEU 13 -1.098 2.250 0.427 306 2HB LEU 13 2HB LEU 13 -2.067 3.074 -0.783 307 HG LEU 13 HG LEU 13 -4.156 2.274 0.269 308 1HD1 LEU 13 1HD1 LEU 13 -4.096 1.260 2.504 309 2HD1 LEU 13 2HD1 LEU 13 -3.284 0.201 1.347 310 3HD1 LEU 13 3HD1 LEU 13 -2.324 1.202 2.461 311 1HD2 LEU 13 1HD2 LEU 13 -2.248 3.698 2.160 312 2HD2 LEU 13 2HD2 LEU 13 -3.181 4.458 0.853 313 3HD2 LEU 13 3HD2 LEU 13 -4.025 3.722 2.227 314 H GLU 14 H GLU 14 -3.373 2.272 -2.757 315 HA GLU 14 HA GLU 14 -5.974 1.200 -2.457 316 1HB GLU 14 1HB GLU 14 -4.567 2.371 -4.892 317 2HB GLU 14 2HB GLU 14 -6.275 1.943 -4.853 318 1HG GLU 14 1HG GLU 14 -6.705 3.547 -3.062 319 2HG GLU 14 2HG GLU 14 -4.984 3.944 -2.956 320 H GLN 15 H GLN 15 -3.551 0.230 -4.926 321 HA GLN 15 HA GLN 15 -5.009 -1.859 -6.136 322 1HB GLN 15 1HB GLN 15 -2.025 -1.430 -5.741 323 2HB GLN 15 2HB GLN 15 -2.694 -2.706 -6.770 324 1HG GLN 15 1HG GLN 15 -3.710 -1.115 -8.263 325 2HG GLN 15 2HG GLN 15 -3.404 0.235 -7.170 326 1HE2 GLN 15 1HE2 GLN 15 -1.504 -2.379 -8.824 327 2HE2 GLN 15 2HE2 GLN 15 -0.198 -1.280 -9.255 328 H LEU 16 H LEU 16 -2.592 -2.137 -3.496 329 HA LEU 16 HA LEU 16 -2.853 -4.928 -3.127 330 1HB LEU 16 1HB LEU 16 -0.948 -3.604 -2.354 331 2HB LEU 16 2HB LEU 16 -1.977 -2.732 -1.210 332 HG LEU 16 HG LEU 16 -2.352 -4.764 0.083 333 1HD1 LEU 16 1HD1 LEU 16 -1.035 -6.842 -0.430 334 2HD1 LEU 16 2HD1 LEU 16 -2.293 -6.523 -1.625 335 3HD1 LEU 16 3HD1 LEU 16 -0.596 -6.140 -2.001 336 1HD2 LEU 16 1HD2 LEU 16 -0.095 -5.063 0.946 337 2HD2 LEU 16 2HD2 LEU 16 0.599 -4.399 -0.545 338 3HD2 LEU 16 3HD2 LEU 16 -0.351 -3.356 0.534 339 H HIS 17 H HIS 17 -4.455 -2.206 -1.352 340 HA HIS 17 HA HIS 17 -6.034 -3.777 0.389 341 1HB HIS 17 1HB HIS 17 -5.752 -1.337 0.566 342 2HB HIS 17 2HB HIS 17 -6.667 -1.111 -0.924 343 HD1 HIS 17 1HD HIS 17 -8.463 -3.727 0.941 344 HD2 HIS 17 2HD HIS 17 -8.112 0.475 0.961 345 HE1 HIS 17 1HE HIS 17 -10.539 -2.811 2.114 346 H ARG 18 H ARG 18 -6.814 -2.603 -2.925 347 HA ARG 18 HA ARG 18 -9.398 -3.808 -3.089 348 1HB ARG 18 1HB ARG 18 -7.390 -2.948 -5.191 349 2HB ARG 18 2HB ARG 18 -9.004 -3.562 -5.595 350 1HG ARG 18 1HG ARG 18 -10.104 -1.791 -4.386 351 2HG ARG 18 2HG ARG 18 -8.588 -1.241 -3.665 352 1HD ARG 18 1HD ARG 18 -7.726 -0.691 -5.927 353 2HD ARG 18 2HD ARG 18 -9.324 -1.078 -6.614 354 HE ARG 18 HE ARG 18 -9.942 0.670 -4.605 355 1HH1 ARG 18 1HH1 ARG 18 -7.763 0.954 -7.360 356 2HH1 ARG 18 2HH1 ARG 18 -7.639 2.696 -7.226 357 1HH2 ARG 18 1HH2 ARG 18 -9.784 2.899 -4.462 358 2HH2 ARG 18 2HH2 ARG 18 -8.660 3.773 -5.483 359 H LYS 19 H LYS 19 -6.184 -5.088 -4.116 360 HA LYS 19 HA LYS 19 -7.090 -7.608 -5.048 361 1HB LYS 19 1HB LYS 19 -4.833 -6.654 -5.345 362 2HB LYS 19 2HB LYS 19 -4.478 -6.940 -3.633 363 1HG LYS 19 1HG LYS 19 -4.915 -9.400 -4.009 364 2HG LYS 19 2HG LYS 19 -5.131 -9.068 -5.727 365 1HD LYS 19 1HD LYS 19 -2.615 -8.584 -4.047 366 2HD LYS 19 2HD LYS 19 -2.853 -9.900 -5.199 367 1HE LYS 19 1HE LYS 19 -2.647 -6.924 -5.865 368 2HE LYS 19 2HE LYS 19 -1.446 -8.177 -6.188 369 1HZ LYS 19 1HZ LYS 19 -2.717 -7.701 -8.128 370 2HZ LYS 19 2HZ LYS 19 -3.029 -9.243 -7.636 371 3HZ LYS 19 3HZ LYS 19 -4.133 -8.050 -7.361 372 H LEU 20 H LEU 20 -6.075 -6.651 -1.726 373 HA LEU 20 HA LEU 20 -6.601 -9.179 -0.523 374 1HB LEU 20 1HB LEU 20 -6.521 -6.371 0.601 375 2HB LEU 20 2HB LEU 20 -6.688 -7.804 1.620 376 HG LEU 20 HG LEU 20 -4.388 -7.573 -0.369 377 1HD1 LEU 20 1HD1 LEU 20 -3.018 -6.698 1.506 378 2HD1 LEU 20 2HD1 LEU 20 -4.295 -5.580 0.988 379 3HD1 LEU 20 3HD1 LEU 20 -4.497 -6.518 2.477 380 1HD2 LEU 20 1HD2 LEU 20 -3.279 -9.099 1.225 381 2HD2 LEU 20 2HD2 LEU 20 -4.733 -9.108 2.240 382 3HD2 LEU 20 3HD2 LEU 20 -4.774 -9.814 0.612 383 H LYS 21 H LYS 21 -8.776 -6.320 -0.887 384 HA LYS 21 HA LYS 21 -11.019 -7.576 0.311 385 1HB LYS 21 1HB LYS 21 -11.100 -5.208 -0.176 386 2HB LYS 21 2HB LYS 21 -10.861 -5.501 -1.899 387 1HG LYS 21 1HG LYS 21 -13.204 -4.967 -1.442 388 2HG LYS 21 2HG LYS 21 -13.035 -6.580 -2.103 389 1HD LYS 21 1HD LYS 21 -13.122 -7.367 0.455 390 2HD LYS 21 2HD LYS 21 -13.715 -5.728 0.735 391 1HE LYS 21 1HE LYS 21 -15.612 -7.175 0.474 392 2HE LYS 21 2HE LYS 21 -15.509 -6.255 -1.037 393 1HZ LYS 21 1HZ LYS 21 -15.867 -8.597 -1.410 394 2HZ LYS 21 2HZ LYS 21 -14.391 -8.170 -2.000 395 3HZ LYS 21 3HZ LYS 21 -14.496 -9.003 -0.595 396 H ASN 22 H ASN 22 -9.904 -7.663 -3.111 397 HA ASN 22 HA ASN 22 -11.978 -9.304 -4.093 398 1HB ASN 22 1HB ASN 22 -10.132 -8.048 -5.366 399 2HB ASN 22 2HB ASN 22 -9.110 -9.461 -5.083 400 1HD2 ASN 22 1HD2 ASN 22 -11.508 -11.412 -5.426 401 2HD2 ASN 22 2HD2 ASN 22 -11.766 -11.321 -7.162 402 H CYS 23 H CYS 23 -8.889 -10.260 -2.482 403 HA CYS 23 HA CYS 23 -9.507 -13.069 -2.741 404 1HB CYS 23 1HB CYS 23 -7.584 -13.587 -1.721 405 2HB CYS 23 2HB CYS 23 -7.230 -12.051 -2.494 406 H LYS 24 H LYS 24 -10.308 -10.674 -0.219 407 HA LYS 24 HA LYS 24 -11.821 -12.656 1.290 408 1HB LYS 24 1HB LYS 24 -11.143 -10.673 2.458 409 2HB LYS 24 2HB LYS 24 -11.964 -9.632 1.298 410 1HG LYS 24 1HG LYS 24 -13.125 -9.963 3.510 411 2HG LYS 24 2HG LYS 24 -14.117 -10.273 2.102 412 1HD LYS 24 1HD LYS 24 -13.684 -12.782 2.416 413 2HD LYS 24 2HD LYS 24 -12.785 -12.378 3.879 414 1HE LYS 24 1HE LYS 24 -15.025 -13.027 4.485 415 2HE LYS 24 2HE LYS 24 -14.952 -11.272 4.717 416 1HZ LYS 24 1HZ LYS 24 -16.008 -12.635 2.326 417 2HZ LYS 24 2HZ LYS 24 -16.932 -12.013 3.544 418 3HZ LYS 24 3HZ LYS 24 -16.024 -11.014 2.599 419 H VAL 25 H VAL 25 -12.591 -13.641 -0.755 420 HA VAL 25 HA VAL 25 -14.709 -12.535 -2.296 421 HB VAL 25 HB VAL 25 -15.316 -14.865 -2.811 422 1HG1 VAL 25 1HG1 VAL 25 -12.303 -14.395 -2.835 423 2HG1 VAL 25 2HG1 VAL 25 -13.221 -15.489 -3.886 424 3HG1 VAL 25 3HG1 VAL 25 -13.465 -13.738 -4.005 425 1HG2 VAL 25 1HG2 VAL 25 -13.178 -15.670 -0.782 426 2HG2 VAL 25 2HG2 VAL 25 -14.927 -15.924 -0.602 427 3HG2 VAL 25 3HG2 VAL 25 -14.041 -16.745 -1.894 428 1H GLU 1 1H GLU 1 -2.704 19.460 1.000 429 2H GLU 1 2H GLU 1 -1.738 18.241 0.446 430 3H GLU 1 3H GLU 1 -1.072 19.522 1.230 431 HA GLU 1 HA GLU 1 -2.125 18.957 3.237 432 1HB GLU 1 1HB GLU 1 -4.160 18.021 2.266 433 2HB GLU 1 2HB GLU 1 -3.253 16.667 1.587 434 1HG GLU 1 1HG GLU 1 -4.529 15.956 3.513 435 2HG GLU 1 2HG GLU 1 -2.820 15.772 3.853 436 H ASN 2 H ASN 2 -1.121 17.580 4.763 437 HA ASN 2 HA ASN 2 1.532 16.696 4.111 438 1HB ASN 2 1HB ASN 2 1.547 15.823 6.451 439 2HB ASN 2 2HB ASN 2 1.086 17.506 6.282 440 1HD2 ASN 2 1HD2 ASN 2 -1.112 14.638 5.799 441 2HD2 ASN 2 2HD2 ASN 2 -2.206 15.162 7.052 442 H ARG 3 H ARG 3 2.423 14.637 3.877 443 HA ARG 3 HA ARG 3 1.238 13.063 2.070 444 1HB ARG 3 1HB ARG 3 2.910 11.354 2.544 445 2HB ARG 3 2HB ARG 3 3.562 12.990 2.436 446 1HG ARG 3 1HG ARG 3 3.808 13.128 4.869 447 2HG ARG 3 2HG ARG 3 3.057 11.543 5.086 448 1HD ARG 3 1HD ARG 3 5.599 12.046 3.517 449 2HD ARG 3 2HD ARG 3 5.515 11.411 5.175 450 HE ARG 3 HE ARG 3 3.878 9.690 3.776 451 1HH1 ARG 3 1HH1 ARG 3 7.273 10.634 3.356 452 2HH1 ARG 3 2HH1 ARG 3 7.642 9.109 2.538 453 1HH2 ARG 3 1HH2 ARG 3 4.445 7.810 2.786 454 2HH2 ARG 3 2HH2 ARG 3 6.110 7.567 2.204 455 H GLU 4 H GLU 4 -0.655 12.052 2.037 456 HA GLU 4 HA GLU 4 -1.923 10.925 4.304 457 1HB GLU 4 1HB GLU 4 -3.671 10.327 2.740 458 2HB GLU 4 2HB GLU 4 -3.114 11.982 2.484 459 1HG GLU 4 1HG GLU 4 -1.918 11.359 0.463 460 2HG GLU 4 2HG GLU 4 -2.104 9.633 0.800 461 H VAL 5 H VAL 5 0.549 9.542 3.991 462 HA VAL 5 HA VAL 5 -0.133 6.968 4.649 463 HB VAL 5 HB VAL 5 -0.807 6.376 2.475 464 1HG1 VAL 5 1HG1 VAL 5 0.425 8.100 1.139 465 2HG1 VAL 5 2HG1 VAL 5 1.903 7.126 1.329 466 3HG1 VAL 5 3HG1 VAL 5 0.506 6.462 0.480 467 1HG2 VAL 5 1HG2 VAL 5 0.440 4.695 3.762 468 2HG2 VAL 5 2HG2 VAL 5 0.572 4.479 2.007 469 3HG2 VAL 5 3HG2 VAL 5 1.934 5.159 2.914 470 HA PRO 6 HA PRO 6 4.020 8.337 5.746 471 1HB PRO 6 1HB PRO 6 4.298 7.210 8.215 472 2HB PRO 6 2HB PRO 6 3.187 8.573 7.893 473 1HG PRO 6 1HG PRO 6 2.496 5.617 7.945 474 2HG PRO 6 2HG PRO 6 1.696 6.940 8.845 475 1HD PRO 6 1HD PRO 6 0.743 6.019 6.469 476 2HD PRO 6 2HD PRO 6 0.662 7.764 6.870 477 HA PRO 7 HA PRO 7 6.696 5.047 4.382 478 1HB PRO 7 1HB PRO 7 8.463 5.686 6.755 479 2HB PRO 7 2HB PRO 7 8.928 5.454 5.045 480 1HG PRO 7 1HG PRO 7 8.725 7.961 6.034 481 2HG PRO 7 2HG PRO 7 7.988 7.582 4.447 482 1HD PRO 7 1HD PRO 7 6.615 7.706 7.149 483 2HD PRO 7 2HD PRO 7 6.151 8.484 5.619 484 H GLY 8 H GLY 8 6.020 5.151 7.853 485 1HA GLY 8 1HA GLY 8 6.513 2.626 8.821 486 2HA GLY 8 2HA GLY 8 5.081 3.579 9.227 487 H PHE 9 H PHE 9 3.829 3.528 6.579 488 HA PHE 9 HA PHE 9 2.454 0.992 6.727 489 1HB PHE 9 1HB PHE 9 1.319 2.922 5.845 490 2HB PHE 9 2HB PHE 9 2.559 3.174 4.621 491 HD1 PHE 9 1HD PHE 9 2.128 2.402 2.438 492 HD2 PHE 9 2HD PHE 9 0.264 0.419 5.782 493 HE1 PHE 9 1HE PHE 9 0.998 0.843 0.885 494 HE2 PHE 9 2HE PHE 9 -0.823 -1.178 4.223 495 HZ PHE 9 HZ PHE 9 -0.447 -0.976 1.771 496 H THR 10 H THR 10 4.774 2.277 4.274 497 HA THR 10 HA THR 10 5.087 -0.078 2.776 498 HB THR 10 HB THR 10 7.222 2.025 3.351 499 HG1 THR 10 1HG THR 10 5.131 2.056 1.438 500 1HG2 THR 10 1HG2 THR 10 8.016 0.098 2.001 501 2HG2 THR 10 2HG2 THR 10 6.637 0.296 0.896 502 3HG2 THR 10 3HG2 THR 10 7.878 1.561 1.008 503 H ALA 11 H ALA 11 6.905 1.065 5.646 504 HA ALA 11 HA ALA 11 8.721 -1.119 5.818 505 1HB ALA 11 1HB ALA 11 7.651 0.559 8.113 506 2HB ALA 11 2HB ALA 11 9.209 -0.293 8.006 507 3HB ALA 11 3HB ALA 11 8.898 1.102 6.969 508 H LEU 12 H LEU 12 5.485 -0.681 7.356 509 HA LEU 12 HA LEU 12 5.354 -3.177 8.686 510 1HB LEU 12 1HB LEU 12 3.771 -1.391 9.064 511 2HB LEU 12 2HB LEU 12 3.079 -1.565 7.457 512 HG LEU 12 HG LEU 12 3.194 -4.002 9.254 513 1HD1 LEU 12 1HD1 LEU 12 1.124 -1.797 9.497 514 2HD1 LEU 12 2HD1 LEU 12 1.040 -3.393 10.260 515 3HD1 LEU 12 3HD1 LEU 12 2.320 -2.274 10.736 516 1HD2 LEU 12 1HD2 LEU 12 0.965 -4.444 8.172 517 2HD2 LEU 12 2HD2 LEU 12 1.172 -2.977 7.199 518 3HD2 LEU 12 3HD2 LEU 12 2.265 -4.361 6.994 519 H ILE 13 H ILE 13 4.159 -2.349 5.355 520 HA ILE 13 HA ILE 13 3.440 -5.021 4.702 521 HB ILE 13 HB ILE 13 4.356 -2.768 2.885 522 1HG1 ILE 13 1HG1 ILE 13 2.316 -2.185 4.113 523 2HG1 ILE 13 2HG1 ILE 13 1.995 -2.442 2.404 524 1HG2 ILE 13 1HG2 ILE 13 3.095 -4.106 1.117 525 2HG2 ILE 13 2HG2 ILE 13 4.654 -4.763 1.611 526 3HG2 ILE 13 3HG2 ILE 13 3.156 -5.485 2.227 527 1HD1 ILE 13 1HD1 ILE 13 1.314 -4.338 4.694 528 2HD1 ILE 13 2HD1 ILE 13 0.203 -3.411 3.684 529 3HD1 ILE 13 3HD1 ILE 13 1.116 -4.748 2.977 530 H LYS 14 H LYS 14 6.612 -3.407 4.147 531 HA LYS 14 HA LYS 14 7.844 -5.625 2.930 532 1HB LYS 14 1HB LYS 14 8.803 -3.373 2.958 533 2HB LYS 14 2HB LYS 14 9.057 -3.469 4.703 534 1HG LYS 14 1HG LYS 14 11.133 -3.841 3.473 535 2HG LYS 14 2HG LYS 14 10.710 -5.280 4.405 536 1HD LYS 14 1HD LYS 14 9.869 -6.397 2.368 537 2HD LYS 14 2HD LYS 14 10.103 -4.908 1.428 538 1HE LYS 14 1HE LYS 14 12.554 -5.039 1.871 539 2HE LYS 14 2HE LYS 14 12.304 -6.528 2.799 540 1HZ LYS 14 1HZ LYS 14 12.960 -6.985 0.555 541 2HZ LYS 14 2HZ LYS 14 11.423 -7.529 0.789 542 3HZ LYS 14 3HZ LYS 14 11.685 -6.138 -0.049 543 H THR 15 H THR 15 7.795 -4.775 6.433 544 HA THR 15 HA THR 15 9.156 -7.197 7.229 545 HB THR 15 HB THR 15 8.283 -6.697 9.530 546 HG1 THR 15 1HG THR 15 7.266 -4.413 8.171 547 1HG2 THR 15 1HG2 THR 15 9.763 -4.795 9.821 548 2HG2 THR 15 2HG2 THR 15 10.482 -5.944 8.689 549 3HG2 THR 15 3HG2 THR 15 9.736 -4.455 8.071 550 H LEU 16 H LEU 16 5.703 -6.536 6.753 551 HA LEU 16 HA LEU 16 4.700 -9.001 7.763 552 1HB LEU 16 1HB LEU 16 3.436 -6.906 7.034 553 2HB LEU 16 2HB LEU 16 3.579 -7.464 5.377 554 HG LEU 16 HG LEU 16 2.296 -9.091 7.621 555 1HD1 LEU 16 1HD1 LEU 16 0.994 -7.234 5.584 556 2HD1 LEU 16 2HD1 LEU 16 0.137 -8.290 6.729 557 3HD1 LEU 16 3HD1 LEU 16 1.118 -6.948 7.334 558 1HD2 LEU 16 1HD2 LEU 16 1.112 -10.194 5.674 559 2HD2 LEU 16 2HD2 LEU 16 2.201 -9.328 4.573 560 3HD2 LEU 16 3HD2 LEU 16 2.837 -10.529 5.720 561 H ARG 17 H ARG 17 5.573 -8.086 4.411 562 HA ARG 17 HA ARG 17 5.417 -10.599 3.171 563 1HB ARG 17 1HB ARG 17 5.739 -8.331 2.156 564 2HB ARG 17 2HB ARG 17 7.433 -8.380 2.610 565 1HG ARG 17 1HG ARG 17 5.972 -10.293 0.723 566 2HG ARG 17 2HG ARG 17 7.000 -8.945 0.241 567 1HD ARG 17 1HD ARG 17 7.878 -11.531 1.555 568 2HD ARG 17 2HD ARG 17 8.277 -10.935 -0.045 569 HE ARG 17 HE ARG 17 9.199 -8.936 1.621 570 1HH1 ARG 17 1HH1 ARG 17 9.843 -12.434 1.473 571 2HH1 ARG 17 2HH1 ARG 17 11.502 -12.239 1.964 572 1HH2 ARG 17 1HH2 ARG 17 11.261 -8.776 2.465 573 2HH2 ARG 17 2HH2 ARG 17 12.313 -10.173 2.525 574 H LYS 18 H LYS 18 8.307 -9.107 4.752 575 HA LYS 18 HA LYS 18 10.017 -11.309 4.438 576 1HB LYS 18 1HB LYS 18 10.531 -8.920 5.218 577 2HB LYS 18 2HB LYS 18 10.116 -9.470 6.852 578 1HG LYS 18 1HG LYS 18 11.856 -11.297 6.591 579 2HG LYS 18 2HG LYS 18 12.236 -10.637 4.990 580 1HD LYS 18 1HD LYS 18 12.620 -8.370 6.261 581 2HD LYS 18 2HD LYS 18 12.690 -9.377 7.717 582 1HE LYS 18 1HE LYS 18 14.473 -9.585 5.237 583 2HE LYS 18 2HE LYS 18 14.949 -8.996 6.839 584 1HZ LYS 18 1HZ LYS 18 14.093 -11.735 6.207 585 2HZ LYS 18 2HZ LYS 18 15.634 -11.247 6.511 586 3HZ LYS 18 3HZ LYS 18 14.502 -11.188 7.703 587 H CYS 19 H CYS 19 8.018 -10.586 7.358 588 HA CYS 19 HA CYS 19 8.574 -12.915 8.837 589 1HB CYS 19 1HB CYS 19 7.259 -10.924 9.650 590 2HB CYS 19 2HB CYS 19 5.923 -11.439 8.615 591 H LYS 20 H LYS 20 6.077 -12.391 6.349 592 HA LYS 20 HA LYS 20 5.009 -15.074 6.406 593 1HB LYS 20 1HB LYS 20 3.807 -12.971 5.841 594 2HB LYS 20 2HB LYS 20 4.757 -12.839 4.354 595 1HG LYS 20 1HG LYS 20 3.736 -14.918 3.505 596 2HG LYS 20 2HG LYS 20 2.881 -15.149 5.045 597 1HD LYS 20 1HD LYS 20 1.685 -12.984 4.665 598 2HD LYS 20 2HD LYS 20 2.576 -12.772 3.144 599 1HE LYS 20 1HE LYS 20 1.578 -14.881 2.267 600 2HE LYS 20 2HE LYS 20 0.681 -15.086 3.784 601 1HZ LYS 20 1HZ LYS 20 -0.428 -13.015 3.328 602 2HZ LYS 20 2HZ LYS 20 0.410 -12.827 1.923 603 3HZ LYS 20 3HZ LYS 20 -0.655 -14.074 2.085 604 H ILE 21 H ILE 21 7.966 -13.967 5.162 605 HA ILE 21 HA ILE 21 9.514 -14.763 3.782 606 HB ILE 21 HB ILE 21 7.819 -17.212 3.157 607 1HG1 ILE 21 1HG1 ILE 21 7.989 -17.170 5.571 608 2HG1 ILE 21 2HG1 ILE 21 9.033 -18.412 4.895 609 1HG2 ILE 21 1HG2 ILE 21 9.654 -16.894 1.628 610 2HG2 ILE 21 2HG2 ILE 21 10.796 -16.652 2.960 611 3HG2 ILE 21 3HG2 ILE 21 10.026 -18.234 2.718 612 1HD1 ILE 21 1HD1 ILE 21 11.013 -16.948 5.234 613 2HD1 ILE 21 2HD1 ILE 21 9.950 -15.689 5.912 614 3HD1 ILE 21 3HD1 ILE 21 10.129 -17.240 6.741 615 H ILE 22 H ILE 22 6.397 -15.648 2.289 616 HA ILE 22 HA ILE 22 7.243 -14.506 -0.310 617 HB ILE 22 HB ILE 22 5.164 -15.411 -1.172 618 1HG1 ILE 22 1HG1 ILE 22 4.627 -16.505 1.632 619 2HG1 ILE 22 2HG1 ILE 22 3.755 -15.162 0.877 620 1HG2 ILE 22 1HG2 ILE 22 7.275 -16.760 -1.008 621 2HG2 ILE 22 2HG2 ILE 22 6.653 -17.490 0.487 622 3HG2 ILE 22 3HG2 ILE 22 5.810 -17.742 -1.056 623 1HD1 ILE 22 1HD1 ILE 22 2.440 -17.149 0.637 624 2HD1 ILE 22 2HD1 ILE 22 3.046 -16.691 -0.968 625 3HD1 ILE 22 3HD1 ILE 22 3.785 -18.045 -0.078 626 1H ASN 1 1H ASN 1 -10.000 10.310 8.158 627 2H ASN 1 2H ASN 1 -10.797 11.527 8.941 628 3H ASN 1 3H ASN 1 -9.323 11.817 8.264 629 HA ASN 1 HA ASN 1 -9.852 10.021 10.492 630 1HB ASN 1 1HB ASN 1 -7.997 9.385 8.895 631 2HB ASN 1 2HB ASN 1 -7.156 10.869 9.344 632 1HD2 ASN 1 1HD2 ASN 1 -5.622 8.760 9.762 633 2HD2 ASN 1 2HD2 ASN 1 -5.660 8.274 11.456 634 H LEU 2 H LEU 2 -8.730 10.757 12.513 635 HA LEU 2 HA LEU 2 -8.796 13.730 12.918 636 1HB LEU 2 1HB LEU 2 -9.916 11.552 14.728 637 2HB LEU 2 2HB LEU 2 -9.868 13.276 15.114 638 HG LEU 2 HG LEU 2 -11.477 12.035 12.831 639 1HD1 LEU 2 1HD1 LEU 2 -12.350 13.100 15.548 640 2HD1 LEU 2 2HD1 LEU 2 -13.422 12.513 14.258 641 3HD1 LEU 2 3HD1 LEU 2 -12.310 11.391 15.061 642 1HD2 LEU 2 1HD2 LEU 2 -11.403 14.880 13.946 643 2HD2 LEU 2 2HD2 LEU 2 -10.887 14.377 12.322 644 3HD2 LEU 2 3HD2 LEU 2 -12.589 14.270 12.775 645 H VAL 3 H VAL 3 -7.674 14.287 15.060 646 HA VAL 3 HA VAL 3 -5.033 13.299 15.043 647 HB VAL 3 HB VAL 3 -5.676 15.485 15.887 648 1HG1 VAL 3 1HG1 VAL 3 -6.691 14.121 18.418 649 2HG1 VAL 3 2HG1 VAL 3 -6.599 15.854 18.086 650 3HG1 VAL 3 3HG1 VAL 3 -7.737 14.849 17.178 651 1HG2 VAL 3 1HG2 VAL 3 -4.115 15.581 17.757 652 2HG2 VAL 3 2HG2 VAL 3 -4.223 13.828 17.993 653 3HG2 VAL 3 3HG2 VAL 3 -3.501 14.484 16.509 654 H SER 4 H SER 4 -7.768 12.336 17.117 655 HA SER 4 HA SER 4 -6.499 10.479 18.849 656 1HB SER 4 1HB SER 4 -8.858 9.555 18.950 657 2HB SER 4 2HB SER 4 -8.715 11.296 19.264 658 HG SER 4 HG SER 4 -10.401 10.824 17.733 659 H GLY 5 H GLY 5 -8.489 9.808 16.011 660 1HA GLY 5 1HA GLY 5 -7.926 7.150 15.478 661 2HA GLY 5 2HA GLY 5 -8.259 8.336 14.214 662 H LEU 6 H LEU 6 -6.041 9.920 14.126 663 HA LEU 6 HA LEU 6 -3.948 8.485 12.926 664 1HB LEU 6 1HB LEU 6 -4.126 10.789 12.511 665 2HB LEU 6 2HB LEU 6 -4.049 11.211 14.220 666 HG LEU 6 HG LEU 6 -1.696 10.600 14.361 667 1HD1 LEU 6 1HD1 LEU 6 -1.502 8.744 12.771 668 2HD1 LEU 6 2HD1 LEU 6 -1.970 9.796 11.435 669 3HD1 LEU 6 3HD1 LEU 6 -0.421 10.042 12.265 670 1HD2 LEU 6 1HD2 LEU 6 -2.349 12.875 13.600 671 2HD2 LEU 6 2HD2 LEU 6 -0.769 12.354 12.986 672 3HD2 LEU 6 3HD2 LEU 6 -2.181 12.332 11.914 673 H ILE 7 H ILE 7 -3.776 9.852 16.342 674 HA ILE 7 HA ILE 7 -1.284 8.550 16.733 675 HB ILE 7 HB ILE 7 -1.465 8.920 19.086 676 1HG1 ILE 7 1HG1 ILE 7 -4.281 9.946 18.616 677 2HG1 ILE 7 2HG1 ILE 7 -3.870 8.438 19.444 678 1HG2 ILE 7 1HG2 ILE 7 -2.428 11.340 17.513 679 2HG2 ILE 7 2HG2 ILE 7 -1.435 11.335 18.983 680 3HG2 ILE 7 3HG2 ILE 7 -0.778 10.697 17.478 681 1HD1 ILE 7 1HD1 ILE 7 -4.332 10.085 21.106 682 2HD1 ILE 7 2HD1 ILE 7 -2.591 9.752 21.141 683 3HD1 ILE 7 3HD1 ILE 7 -3.207 11.245 20.388 684 H GLU 8 H GLU 8 -4.553 7.280 17.503 685 HA GLU 8 HA GLU 8 -3.564 4.845 18.676 686 1HB GLU 8 1HB GLU 8 -6.205 5.451 17.283 687 2HB GLU 8 2HB GLU 8 -5.863 3.996 18.233 688 1HG GLU 8 1HG GLU 8 -5.889 6.864 19.295 689 2HG GLU 8 2HG GLU 8 -7.094 5.613 19.594 690 H ALA 9 H ALA 9 -4.578 5.532 15.284 691 HA ALA 9 HA ALA 9 -3.989 2.925 14.298 692 1HB ALA 9 1HB ALA 9 -3.934 5.571 12.800 693 2HB ALA 9 2HB ALA 9 -4.096 3.936 12.109 694 3HB ALA 9 3HB ALA 9 -5.386 4.593 13.125 695 H ARG 10 H ARG 10 -1.938 5.808 14.661 696 HA ARG 10 HA ARG 10 0.436 4.775 13.433 697 1HB ARG 10 1HB ARG 10 0.180 7.081 13.626 698 2HB ARG 10 2HB ARG 10 -0.161 7.024 15.352 699 1HG ARG 10 1HG ARG 10 2.527 5.976 14.532 700 2HG ARG 10 2HG ARG 10 2.253 7.706 14.321 701 1HD ARG 10 1HD ARG 10 1.667 8.063 16.595 702 2HD ARG 10 2HD ARG 10 1.569 6.349 16.963 703 HE ARG 10 HE ARG 10 3.967 8.004 16.795 704 1HH1 ARG 10 1HH1 ARG 10 2.882 4.621 16.487 705 2HH1 ARG 10 2HH1 ARG 10 4.288 4.034 17.360 706 1HH2 ARG 10 1HH2 ARG 10 5.840 7.103 17.716 707 2HH2 ARG 10 2HH2 ARG 10 5.959 5.362 17.902 708 H LYS 11 H LYS 11 -0.691 4.743 16.870 709 HA LYS 11 HA LYS 11 1.570 3.319 17.927 710 1HB LYS 11 1HB LYS 11 -1.334 3.498 18.778 711 2HB LYS 11 2HB LYS 11 -0.119 2.586 19.683 712 1HG LYS 11 1HG LYS 11 1.216 4.548 20.084 713 2HG LYS 11 2HG LYS 11 0.222 5.532 19.003 714 1HD LYS 11 1HD LYS 11 -1.770 5.106 20.473 715 2HD LYS 11 2HD LYS 11 -0.720 4.257 21.617 716 1HE LYS 11 1HE LYS 11 -0.440 7.177 20.737 717 2HE LYS 11 2HE LYS 11 -1.154 6.628 22.260 718 1HZ LYS 11 1HZ LYS 11 1.109 7.276 22.559 719 2HZ LYS 11 2HZ LYS 11 0.961 5.657 22.830 720 3HZ LYS 11 3HZ LYS 11 1.630 6.201 21.426 721 H TYR 12 H TYR 12 -1.603 2.077 16.752 722 HA TYR 12 HA TYR 12 -1.025 -0.677 16.921 723 1HB TYR 12 1HB TYR 12 -3.247 0.225 16.498 724 2HB TYR 12 2HB TYR 12 -2.745 0.846 14.932 725 HD1 TYR 12 1HD TYR 12 -2.565 -0.606 12.987 726 HD2 TYR 12 2HD TYR 12 -3.411 -2.255 16.879 727 HE1 TYR 12 1HE TYR 12 -3.091 -2.792 11.946 728 HE2 TYR 12 2HE TYR 12 -3.964 -4.440 15.821 729 HH TYR 12 HH TYR 12 -3.737 -4.949 12.307 730 H LEU 13 H LEU 13 -0.577 1.452 14.087 731 HA LEU 13 HA LEU 13 0.604 -0.271 12.252 732 1HB LEU 13 1HB LEU 13 -0.087 1.964 11.689 733 2HB LEU 13 2HB LEU 13 1.023 2.668 12.864 734 HG LEU 13 HG LEU 13 2.960 2.049 11.511 735 1HD1 LEU 13 1HD1 LEU 13 2.177 0.007 10.465 736 2HD1 LEU 13 2HD1 LEU 13 0.885 0.880 9.601 737 3HD1 LEU 13 3HD1 LEU 13 2.587 1.164 9.201 738 1HD2 LEU 13 1HD2 LEU 13 1.825 4.210 11.123 739 2HD2 LEU 13 2HD2 LEU 13 2.520 3.567 9.623 740 3HD2 LEU 13 3HD2 LEU 13 0.772 3.447 9.912 741 H GLU 14 H GLU 14 2.411 1.871 14.555 742 HA GLU 14 HA GLU 14 4.950 0.758 13.969 743 1HB GLU 14 1HB GLU 14 4.569 2.909 15.096 744 2HB GLU 14 2HB GLU 14 3.989 2.050 16.542 745 1HG GLU 14 1HG GLU 14 6.212 0.982 16.822 746 2HG GLU 14 2HG GLU 14 6.767 1.688 15.296 747 H GLN 15 H GLN 15 2.646 -0.114 16.611 748 HA GLN 15 HA GLN 15 4.267 -2.051 17.841 749 1HB GLN 15 1HB GLN 15 2.276 -1.139 18.882 750 2HB GLN 15 2HB GLN 15 1.243 -1.826 17.622 751 1HG GLN 15 1HG GLN 15 1.091 -3.122 19.674 752 2HG GLN 15 2HG GLN 15 1.761 -4.114 18.387 753 1HE2 GLN 15 1HE2 GLN 15 4.237 -4.372 18.402 754 2HE2 GLN 15 2HE2 GLN 15 4.957 -4.424 20.018 755 H LEU 16 H LEU 16 1.811 -2.525 15.255 756 HA LEU 16 HA LEU 16 2.207 -5.340 15.023 757 1HB LEU 16 1HB LEU 16 0.182 -4.227 14.285 758 2HB LEU 16 2HB LEU 16 1.077 -3.298 13.077 759 HG LEU 16 HG LEU 16 1.561 -5.305 11.790 760 1HD1 LEU 16 1HD1 LEU 16 0.130 -6.832 14.016 761 2HD1 LEU 16 2HD1 LEU 16 0.554 -7.510 12.431 762 3HD1 LEU 16 3HD1 LEU 16 1.833 -7.017 13.539 763 1HD2 LEU 16 1HD2 LEU 16 -0.683 -4.144 11.558 764 2HD2 LEU 16 2HD2 LEU 16 -0.692 -5.854 11.078 765 3HD2 LEU 16 3HD2 LEU 16 -1.354 -5.367 12.650 766 H HIS 17 H HIS 17 3.521 -2.605 13.062 767 HA HIS 17 HA HIS 17 5.221 -4.046 11.336 768 1HB HIS 17 1HB HIS 17 4.805 -1.671 11.112 769 2HB HIS 17 2HB HIS 17 5.513 -1.349 12.692 770 HD1 HIS 17 1HD HIS 17 7.377 -3.594 10.153 771 HD2 HIS 17 2HD HIS 17 7.396 0.267 11.863 772 HE1 HIS 17 1HE HIS 17 9.594 -2.496 9.511 773 H ARG 18 H ARG 18 5.943 -2.809 14.622 774 HA ARG 18 HA ARG 18 8.572 -3.845 14.843 775 1HB ARG 18 1HB ARG 18 7.780 -2.050 16.181 776 2HB ARG 18 2HB ARG 18 6.489 -3.017 16.896 777 1HG ARG 18 1HG ARG 18 9.316 -3.993 17.264 778 2HG ARG 18 2HG ARG 18 8.833 -2.538 18.135 779 1HD ARG 18 1HD ARG 18 6.998 -3.582 19.216 780 2HD ARG 18 2HD ARG 18 7.127 -5.062 18.268 781 HE ARG 18 HE ARG 18 8.612 -4.383 20.636 782 1HH1 ARG 18 1HH1 ARG 18 9.012 -6.141 17.528 783 2HH1 ARG 18 2HH1 ARG 18 10.025 -7.340 18.318 784 1HH2 ARG 18 1HH2 ARG 18 9.967 -6.023 21.482 785 2HH2 ARG 18 2HH2 ARG 18 10.535 -7.297 20.412 786 H LYS 19 H LYS 19 5.426 -5.357 15.778 787 HA LYS 19 HA LYS 19 6.581 -7.783 16.820 788 1HB LYS 19 1HB LYS 19 3.889 -7.108 15.607 789 2HB LYS 19 2HB LYS 19 4.311 -8.749 16.139 790 1HG LYS 19 1HG LYS 19 4.585 -8.111 18.396 791 2HG LYS 19 2HG LYS 19 4.698 -6.403 17.991 792 1HD LYS 19 1HD LYS 19 2.573 -6.849 19.044 793 2HD LYS 19 2HD LYS 19 2.303 -6.332 17.378 794 1HE LYS 19 1HE LYS 19 2.401 -9.287 18.138 795 2HE LYS 19 2HE LYS 19 0.926 -8.330 18.331 796 1HZ LYS 19 1HZ LYS 19 2.344 -8.702 15.795 797 2HZ LYS 19 2HZ LYS 19 0.941 -9.434 16.246 798 3HZ LYS 19 3HZ LYS 19 0.985 -7.802 16.021 799 H LEU 20 H LEU 20 5.397 -7.002 13.506 800 HA LEU 20 HA LEU 20 6.127 -9.501 12.339 801 1HB LEU 20 1HB LEU 20 5.886 -6.724 11.134 802 2HB LEU 20 2HB LEU 20 6.048 -8.203 10.182 803 HG LEU 20 HG LEU 20 3.776 -7.797 12.184 804 1HD1 LEU 20 1HD1 LEU 20 3.666 -6.010 10.545 805 2HD1 LEU 20 2HD1 LEU 20 3.887 -7.166 9.221 806 3HD1 LEU 20 3HD1 LEU 20 2.401 -7.203 10.195 807 1HD2 LEU 20 1HD2 LEU 20 4.174 -9.734 9.866 808 2HD2 LEU 20 2HD2 LEU 20 4.122 -10.143 11.590 809 3HD2 LEU 20 3HD2 LEU 20 2.673 -9.535 10.787 810 H LYS 21 H LYS 21 8.019 -6.460 12.588 811 HA LYS 21 HA LYS 21 10.409 -7.331 11.390 812 1HB LYS 21 1HB LYS 21 9.864 -5.029 12.219 813 2HB LYS 21 2HB LYS 21 10.138 -5.591 13.873 814 1HG LYS 21 1HG LYS 21 12.487 -6.154 13.297 815 2HG LYS 21 2HG LYS 21 12.188 -5.664 11.616 816 1HD LYS 21 1HD LYS 21 11.666 -3.346 12.387 817 2HD LYS 21 2HD LYS 21 11.897 -3.854 14.065 818 1HE LYS 21 1HE LYS 21 13.900 -2.708 13.305 819 2HE LYS 21 2HE LYS 21 14.281 -4.417 13.569 820 1HZ LYS 21 1HZ LYS 21 13.692 -3.173 10.967 821 2HZ LYS 21 2HZ LYS 21 15.191 -3.574 11.521 822 3HZ LYS 21 3HZ LYS 21 14.087 -4.755 11.210 823 H ASN 22 H ASN 22 9.216 -7.926 14.728 824 HA ASN 22 HA ASN 22 11.490 -9.306 15.661 825 1HB ASN 22 1HB ASN 22 9.179 -8.507 16.810 826 2HB ASN 22 2HB ASN 22 8.816 -10.217 16.659 827 1HD2 ASN 22 1HD2 ASN 22 11.063 -11.591 17.231 828 2HD2 ASN 22 2HD2 ASN 22 11.656 -11.131 18.831 829 H CYS 23 H CYS 23 9.262 -10.466 13.216 830 HA CYS 23 HA CYS 23 9.735 -13.289 13.676 831 1HB CYS 23 1HB CYS 23 9.232 -11.910 11.027 832 2HB CYS 23 2HB CYS 23 9.025 -13.622 11.419 833 H LYS 24 H LYS 24 11.590 -10.662 12.242 834 HA LYS 24 HA LYS 24 13.659 -10.409 11.498 835 1HB LYS 24 1HB LYS 24 14.203 -12.856 13.216 836 2HB LYS 24 2HB LYS 24 15.436 -11.780 12.542 837 1HG LYS 24 1HG LYS 24 14.461 -9.852 13.734 838 2HG LYS 24 2HG LYS 24 13.186 -10.888 14.387 839 1HD LYS 24 1HD LYS 24 14.896 -12.293 15.527 840 2HD LYS 24 2HD LYS 24 16.167 -11.203 14.933 841 1HE LYS 24 1HE LYS 24 15.064 -9.299 16.126 842 2HE LYS 24 2HE LYS 24 13.809 -10.405 16.717 843 1HZ LYS 24 1HZ LYS 24 15.515 -10.056 18.340 844 2HZ LYS 24 2HZ LYS 24 15.511 -11.632 17.857 845 3HZ LYS 24 3HZ LYS 24 16.678 -10.606 17.312 846 H VAL 25 H VAL 25 13.306 -13.959 11.273 847 HA VAL 25 HA VAL 25 13.855 -15.452 9.666 848 HB VAL 25 HB VAL 25 13.025 -13.259 7.727 849 1HG1 VAL 25 1HG1 VAL 25 14.029 -15.302 6.654 850 2HG1 VAL 25 2HG1 VAL 25 12.840 -16.297 7.518 851 3HG1 VAL 25 3HG1 VAL 25 12.312 -15.105 6.310 852 1HG2 VAL 25 1HG2 VAL 25 11.358 -15.245 9.331 853 2HG2 VAL 25 2HG2 VAL 25 11.286 -13.473 9.427 854 3HG2 VAL 25 3HG2 VAL 25 10.752 -14.298 7.962 Start of MODEL 13 1 1H GLU 1 1H GLU 1 5.583 14.538 2.953 2 2H GLU 1 2H GLU 1 5.941 15.905 2.113 3 3H GLU 1 3H GLU 1 4.380 15.570 2.488 4 HA GLU 1 HA GLU 1 6.566 16.265 4.305 5 1HB GLU 1 1HB GLU 1 3.984 17.792 3.749 6 2HB GLU 1 2HB GLU 1 5.262 18.229 4.886 7 1HG GLU 1 1HG GLU 1 5.658 19.558 2.985 8 2HG GLU 1 2HG GLU 1 6.870 18.277 2.881 9 H ASN 2 H ASN 2 2.989 16.273 4.741 10 HA ASN 2 HA ASN 2 3.287 15.634 7.510 11 1HB ASN 2 1HB ASN 2 0.799 15.651 7.499 12 2HB ASN 2 2HB ASN 2 1.562 17.094 6.835 13 1HD2 ASN 2 1HD2 ASN 2 -1.059 15.133 6.303 14 2HD2 ASN 2 2HD2 ASN 2 -1.166 15.382 4.562 15 H ARG 3 H ARG 3 4.389 13.659 7.621 16 HA ARG 3 HA ARG 3 3.331 11.172 6.676 17 1HB ARG 3 1HB ARG 3 5.261 11.641 8.961 18 2HB ARG 3 2HB ARG 3 4.949 10.118 8.121 19 1HG ARG 3 1HG ARG 3 6.374 12.572 7.063 20 2HG ARG 3 2HG ARG 3 6.956 10.911 7.191 21 1HD ARG 3 1HD ARG 3 5.091 10.298 5.492 22 2HD ARG 3 2HD ARG 3 4.923 12.036 5.232 23 HE ARG 3 HE ARG 3 6.940 10.273 4.202 24 1HH1 ARG 3 1HH1 ARG 3 6.593 13.684 5.217 25 2HH1 ARG 3 2HH1 ARG 3 7.757 14.190 3.998 26 1HH2 ARG 3 1HH2 ARG 3 8.345 11.027 2.695 27 2HH2 ARG 3 2HH2 ARG 3 8.777 12.744 2.669 28 H GLU 4 H GLU 4 1.093 11.782 7.244 29 HA GLU 4 HA GLU 4 0.259 10.873 9.936 30 1HB GLU 4 1HB GLU 4 -1.324 11.879 7.540 31 2HB GLU 4 2HB GLU 4 -2.003 11.478 9.138 32 1HG GLU 4 1HG GLU 4 -0.572 13.183 10.202 33 2HG GLU 4 2HG GLU 4 0.106 13.621 8.628 34 H VAL 5 H VAL 5 -2.122 9.829 7.867 35 HA VAL 5 HA VAL 5 -1.166 7.206 7.192 36 HB VAL 5 HB VAL 5 -1.127 6.905 9.580 37 1HG1 VAL 5 1HG1 VAL 5 -4.038 7.762 9.704 38 2HG1 VAL 5 2HG1 VAL 5 -3.002 7.252 11.039 39 3HG1 VAL 5 3HG1 VAL 5 -2.677 8.772 10.225 40 1HG2 VAL 5 1HG2 VAL 5 -2.658 5.056 9.874 41 2HG2 VAL 5 2HG2 VAL 5 -3.618 5.558 8.472 42 3HG2 VAL 5 3HG2 VAL 5 -1.938 5.006 8.261 43 HA PRO 6 HA PRO 6 -5.006 8.029 4.989 44 1HB PRO 6 1HB PRO 6 -4.941 6.141 3.071 45 2HB PRO 6 2HB PRO 6 -3.697 7.421 3.165 46 1HG PRO 6 1HG PRO 6 -3.490 4.587 4.225 47 2HG PRO 6 2HG PRO 6 -2.326 5.459 3.198 48 1HD PRO 6 1HD PRO 6 -2.112 5.314 5.941 49 2HD PRO 6 2HD PRO 6 -1.531 6.698 4.979 50 HA PRO 7 HA PRO 7 -8.044 5.180 6.917 51 1HB PRO 7 1HB PRO 7 -9.566 5.784 4.372 52 2HB PRO 7 2HB PRO 7 -10.171 5.748 6.052 53 1HG PRO 7 1HG PRO 7 -9.658 8.122 4.860 54 2HG PRO 7 2HG PRO 7 -9.104 7.845 6.539 55 1HD PRO 7 1HD PRO 7 -7.480 7.625 3.986 56 2HD PRO 7 2HD PRO 7 -7.077 8.455 5.515 57 H GLY 8 H GLY 8 -7.214 5.037 3.477 58 1HA GLY 8 1HA GLY 8 -7.730 2.475 2.644 59 2HA GLY 8 2HA GLY 8 -6.275 3.383 2.229 60 H PHE 9 H PHE 9 -5.158 3.412 4.995 61 HA PHE 9 HA PHE 9 -3.820 0.828 4.932 62 1HB PHE 9 1HB PHE 9 -2.598 2.746 5.713 63 2HB PHE 9 2HB PHE 9 -3.828 3.116 6.922 64 HD1 PHE 9 1HD PHE 9 -3.131 2.689 9.113 65 HD2 PHE 9 2HD PHE 9 -1.865 0.038 5.956 66 HE1 PHE 9 1HE PHE 9 -1.948 1.278 10.766 67 HE2 PHE 9 2HE PHE 9 -0.728 -1.400 7.622 68 HZ PHE 9 HZ PHE 9 -0.820 -0.817 10.040 69 H THR 10 H THR 10 -6.175 2.319 7.225 70 HA THR 10 HA THR 10 -6.582 0.002 8.809 71 HB THR 10 HB THR 10 -8.627 2.168 8.162 72 HG1 THR 10 1HG THR 10 -6.451 2.124 9.987 73 1HG2 THR 10 1HG2 THR 10 -9.337 1.753 10.497 74 2HG2 THR 10 2HG2 THR 10 -9.491 0.273 9.531 75 3HG2 THR 10 3HG2 THR 10 -8.126 0.465 10.653 76 H ALA 11 H ALA 11 -8.246 1.101 5.827 77 HA ALA 11 HA ALA 11 -10.083 -1.063 5.639 78 1HB ALA 11 1HB ALA 11 -10.127 1.081 4.339 79 2HB ALA 11 2HB ALA 11 -8.814 0.443 3.325 80 3HB ALA 11 3HB ALA 11 -10.391 -0.374 3.372 81 H LEU 12 H LEU 12 -6.788 -0.761 4.209 82 HA LEU 12 HA LEU 12 -6.558 -3.290 3.012 83 1HB LEU 12 1HB LEU 12 -5.006 -1.370 2.818 84 2HB LEU 12 2HB LEU 12 -4.351 -1.721 4.411 85 HG LEU 12 HG LEU 12 -4.330 -3.717 2.103 86 1HD1 LEU 12 1HD1 LEU 12 -2.232 -1.694 2.947 87 2HD1 LEU 12 2HD1 LEU 12 -1.978 -2.976 1.748 88 3HD1 LEU 12 3HD1 LEU 12 -3.153 -1.691 1.423 89 1HD2 LEU 12 1HD2 LEU 12 -2.337 -4.631 3.378 90 2HD2 LEU 12 2HD2 LEU 12 -2.736 -3.528 4.708 91 3HD2 LEU 12 3HD2 LEU 12 -3.849 -4.836 4.244 92 H ILE 13 H ILE 13 -5.515 -2.367 6.339 93 HA ILE 13 HA ILE 13 -4.899 -5.012 7.186 94 HB ILE 13 HB ILE 13 -5.715 -2.549 8.761 95 1HG1 ILE 13 1HG1 ILE 13 -3.632 -2.188 7.585 96 2HG1 ILE 13 2HG1 ILE 13 -3.301 -2.423 9.295 97 1HG2 ILE 13 1HG2 ILE 13 -4.644 -3.711 10.721 98 2HG2 ILE 13 2HG2 ILE 13 -6.184 -4.400 10.213 99 3HG2 ILE 13 3HG2 ILE 13 -4.672 -5.219 9.784 100 1HD1 ILE 13 1HD1 ILE 13 -2.782 -4.362 7.008 101 2HD1 ILE 13 2HD1 ILE 13 -1.617 -3.607 8.096 102 3HD1 ILE 13 3HD1 ILE 13 -2.703 -4.859 8.710 103 H LYS 14 H LYS 14 -8.052 -3.286 7.392 104 HA LYS 14 HA LYS 14 -9.448 -5.356 8.721 105 1HB LYS 14 1HB LYS 14 -10.282 -3.074 8.274 106 2HB LYS 14 2HB LYS 14 -10.519 -3.491 6.569 107 1HG LYS 14 1HG LYS 14 -12.063 -5.353 7.296 108 2HG LYS 14 2HG LYS 14 -11.889 -4.796 8.967 109 1HD LYS 14 1HD LYS 14 -12.987 -3.150 6.629 110 2HD LYS 14 2HD LYS 14 -13.961 -3.975 7.854 111 1HE LYS 14 1HE LYS 14 -12.845 -2.572 9.630 112 2HE LYS 14 2HE LYS 14 -12.026 -1.662 8.346 113 1HZ LYS 14 1HZ LYS 14 -14.011 -0.580 9.049 114 2HZ LYS 14 2HZ LYS 14 -14.162 -1.064 7.481 115 3HZ LYS 14 3HZ LYS 14 -14.929 -1.897 8.678 116 H THR 15 H THR 15 -9.082 -4.880 5.127 117 HA THR 15 HA THR 15 -10.306 -7.391 4.488 118 HB THR 15 HB THR 15 -9.048 -7.161 2.286 119 HG1 THR 15 1HG THR 15 -7.589 -5.445 3.527 120 1HG2 THR 15 1HG2 THR 15 -10.849 -4.929 3.279 121 2HG2 THR 15 2HG2 THR 15 -10.514 -5.321 1.572 122 3HG2 THR 15 3HG2 THR 15 -11.369 -6.485 2.597 123 H LEU 16 H LEU 16 -6.911 -6.655 5.270 124 HA LEU 16 HA LEU 16 -5.806 -9.203 4.675 125 1HB LEU 16 1HB LEU 16 -4.697 -6.957 5.337 126 2HB LEU 16 2HB LEU 16 -4.934 -7.454 7.006 127 HG LEU 16 HG LEU 16 -3.377 -9.010 4.888 128 1HD1 LEU 16 1HD1 LEU 16 -2.422 -7.225 7.169 129 2HD1 LEU 16 2HD1 LEU 16 -1.384 -8.183 6.093 130 3HD1 LEU 16 3HD1 LEU 16 -2.335 -6.843 5.435 131 1HD2 LEU 16 1HD2 LEU 16 -3.679 -9.420 7.903 132 2HD2 LEU 16 2HD2 LEU 16 -4.092 -10.570 6.608 133 3HD2 LEU 16 3HD2 LEU 16 -2.406 -10.175 6.921 134 H ARG 17 H ARG 17 -7.060 -7.930 7.793 135 HA ARG 17 HA ARG 17 -6.913 -10.291 9.298 136 1HB ARG 17 1HB ARG 17 -7.314 -8.099 10.273 137 2HB ARG 17 2HB ARG 17 -8.861 -7.955 9.441 138 1HG ARG 17 1HG ARG 17 -9.162 -8.527 11.810 139 2HG ARG 17 2HG ARG 17 -9.833 -9.771 10.757 140 1HD ARG 17 1HD ARG 17 -8.638 -10.747 12.676 141 2HD ARG 17 2HD ARG 17 -7.869 -11.214 11.161 142 HE ARG 17 HE ARG 17 -6.688 -8.803 12.226 143 1HH1 ARG 17 1HH1 ARG 17 -6.696 -12.330 12.703 144 2HH1 ARG 17 2HH1 ARG 17 -5.107 -12.332 13.414 145 1HH2 ARG 17 1HH2 ARG 17 -4.637 -8.864 13.148 146 2HH2 ARG 17 2HH2 ARG 17 -3.953 -10.381 13.689 147 H LYS 18 H LYS 18 -9.732 -9.056 7.403 148 HA LYS 18 HA LYS 18 -11.440 -11.277 7.901 149 1HB LYS 18 1HB LYS 18 -11.245 -9.349 5.559 150 2HB LYS 18 2HB LYS 18 -12.559 -10.508 5.742 151 1HG LYS 18 1HG LYS 18 -11.918 -8.399 7.845 152 2HG LYS 18 2HG LYS 18 -13.073 -8.182 6.523 153 1HD LYS 18 1HD LYS 18 -14.342 -10.195 7.324 154 2HD LYS 18 2HD LYS 18 -13.246 -10.310 8.713 155 1HE LYS 18 1HE LYS 18 -13.882 -8.007 9.411 156 2HE LYS 18 2HE LYS 18 -15.011 -7.913 8.046 157 1HZ LYS 18 1HZ LYS 18 -16.180 -9.782 8.968 158 2HZ LYS 18 2HZ LYS 18 -15.133 -9.866 10.236 159 3HZ LYS 18 3HZ LYS 18 -16.110 -8.551 10.061 160 H CYS 19 H CYS 19 -9.139 -10.802 5.169 161 HA CYS 19 HA CYS 19 -9.718 -13.268 3.887 162 1HB CYS 19 1HB CYS 19 -8.515 -11.401 2.841 163 2HB CYS 19 2HB CYS 19 -7.149 -11.653 3.929 164 H LYS 20 H LYS 20 -7.071 -12.470 6.163 165 HA LYS 20 HA LYS 20 -5.988 -15.157 6.054 166 1HB LYS 20 1HB LYS 20 -4.665 -13.054 6.162 167 2HB LYS 20 2HB LYS 20 -5.237 -12.799 7.822 168 1HG LYS 20 1HG LYS 20 -4.162 -14.930 8.516 169 2HG LYS 20 2HG LYS 20 -3.661 -15.224 6.840 170 1HD LYS 20 1HD LYS 20 -2.264 -13.173 6.888 171 2HD LYS 20 2HD LYS 20 -2.865 -12.790 8.510 172 1HE LYS 20 1HE LYS 20 -0.642 -13.784 8.680 173 2HE LYS 20 2HE LYS 20 -1.842 -14.861 9.410 174 1HZ LYS 20 1HZ LYS 20 -1.810 -16.160 7.408 175 2HZ LYS 20 2HZ LYS 20 -0.723 -15.140 6.704 176 3HZ LYS 20 3HZ LYS 20 -0.286 -16.032 8.020 177 H ILE 21 H ILE 21 -8.025 -13.405 8.358 178 HA ILE 21 HA ILE 21 -9.023 -13.911 10.284 179 HB ILE 21 HB ILE 21 -8.381 -16.839 9.766 180 1HG1 ILE 21 1HG1 ILE 21 -9.622 -15.921 7.855 181 2HG1 ILE 21 2HG1 ILE 21 -10.579 -17.052 8.800 182 1HG2 ILE 21 1HG2 ILE 21 -10.372 -17.214 11.214 183 2HG2 ILE 21 2HG2 ILE 21 -8.992 -16.511 12.063 184 3HG2 ILE 21 3HG2 ILE 21 -10.367 -15.484 11.621 185 1HD1 ILE 21 1HD1 ILE 21 -10.828 -14.012 8.933 186 2HD1 ILE 21 2HD1 ILE 21 -11.910 -15.125 8.085 187 3HD1 ILE 21 3HD1 ILE 21 -11.813 -15.178 9.849 188 H ILE 22 H ILE 22 -6.193 -16.079 10.176 189 HA ILE 22 HA ILE 22 -5.526 -15.786 12.961 190 HB ILE 22 HB ILE 22 -3.858 -16.711 10.590 191 1HG1 ILE 22 1HG1 ILE 22 -5.458 -18.297 12.659 192 2HG1 ILE 22 2HG1 ILE 22 -5.942 -18.035 10.978 193 1HG2 ILE 22 1HG2 ILE 22 -3.391 -17.107 13.582 194 2HG2 ILE 22 2HG2 ILE 22 -2.405 -17.797 12.276 195 3HG2 ILE 22 3HG2 ILE 22 -2.423 -16.063 12.522 196 1HD1 ILE 22 1HD1 ILE 22 -5.015 -20.209 11.087 197 2HD1 ILE 22 2HD1 ILE 22 -3.846 -19.192 10.225 198 3HD1 ILE 22 3HD1 ILE 22 -3.560 -19.657 11.921 199 1H ASN 1 1H ASN 1 6.139 18.000 -8.401 200 2H ASN 1 2H ASN 1 7.474 17.892 -9.348 201 3H ASN 1 3H ASN 1 7.644 18.244 -7.756 202 HA ASN 1 HA ASN 1 6.677 15.738 -8.930 203 1HB ASN 1 1HB ASN 1 9.101 16.108 -9.178 204 2HB ASN 1 2HB ASN 1 9.261 16.309 -7.427 205 1HD2 ASN 1 1HD2 ASN 1 9.602 14.418 -6.199 206 2HD2 ASN 1 2HD2 ASN 1 9.238 12.814 -6.828 207 H LEU 2 H LEU 2 6.460 17.731 -6.176 208 HA LEU 2 HA LEU 2 6.580 16.330 -3.911 209 1HB LEU 2 1HB LEU 2 4.281 18.130 -4.771 210 2HB LEU 2 2HB LEU 2 4.604 17.680 -3.100 211 HG LEU 2 HG LEU 2 6.490 19.294 -4.875 212 1HD1 LEU 2 1HD1 LEU 2 4.435 20.496 -4.211 213 2HD1 LEU 2 2HD1 LEU 2 4.749 20.096 -2.508 214 3HD1 LEU 2 3HD1 LEU 2 5.866 21.152 -3.398 215 1HD2 LEU 2 1HD2 LEU 2 6.688 18.472 -1.940 216 2HD2 LEU 2 2HD2 LEU 2 7.821 18.038 -3.241 217 3HD2 LEU 2 3HD2 LEU 2 7.693 19.715 -2.711 218 H VAL 3 H VAL 3 3.762 15.942 -6.064 219 HA VAL 3 HA VAL 3 2.337 14.208 -4.280 220 HB VAL 3 HB VAL 3 0.826 13.851 -6.147 221 1HG1 VAL 3 1HG1 VAL 3 0.102 16.142 -6.456 222 2HG1 VAL 3 2HG1 VAL 3 0.673 15.920 -4.794 223 3HG1 VAL 3 3HG1 VAL 3 1.690 16.767 -5.980 224 1HG2 VAL 3 1HG2 VAL 3 2.409 13.682 -8.031 225 2HG2 VAL 3 2HG2 VAL 3 1.181 14.915 -8.332 226 3HG2 VAL 3 3HG2 VAL 3 2.818 15.402 -7.864 227 H SER 4 H SER 4 4.883 13.490 -6.552 228 HA SER 4 HA SER 4 4.308 11.111 -7.717 229 1HB SER 4 1HB SER 4 6.753 10.618 -7.636 230 2HB SER 4 2HB SER 4 6.382 12.277 -8.113 231 HG SER 4 HG SER 4 7.000 13.006 -6.139 232 H GLY 5 H GLY 5 6.292 11.007 -4.810 233 1HA GLY 5 1HA GLY 5 6.124 8.349 -4.106 234 2HA GLY 5 2HA GLY 5 6.241 9.638 -2.900 235 H LEU 6 H LEU 6 3.909 10.837 -2.714 236 HA LEU 6 HA LEU 6 2.144 9.166 -1.416 237 1HB LEU 6 1HB LEU 6 2.101 11.542 -1.139 238 2HB LEU 6 2HB LEU 6 1.647 11.813 -2.821 239 HG LEU 6 HG LEU 6 -0.554 10.779 -2.453 240 1HD1 LEU 6 1HD1 LEU 6 0.384 10.448 0.433 241 2HD1 LEU 6 2HD1 LEU 6 -1.289 10.261 -0.133 242 3HD1 LEU 6 3HD1 LEU 6 -0.049 9.139 -0.690 243 1HD2 LEU 6 1HD2 LEU 6 -1.508 12.517 -1.048 244 2HD2 LEU 6 2HD2 LEU 6 0.078 12.857 -0.330 245 3HD2 LEU 6 3HD2 LEU 6 -0.217 13.209 -2.049 246 H ILE 7 H ILE 7 1.652 10.315 -4.844 247 HA ILE 7 HA ILE 7 -0.725 8.720 -5.085 248 HB ILE 7 HB ILE 7 -0.734 9.161 -7.419 249 1HG1 ILE 7 1HG1 ILE 7 1.999 10.461 -7.120 250 2HG1 ILE 7 2HG1 ILE 7 1.669 8.940 -7.960 251 1HG2 ILE 7 1HG2 ILE 7 0.070 11.640 -5.855 252 2HG2 ILE 7 2HG2 ILE 7 -1.001 11.567 -7.270 253 3HG2 ILE 7 3HG2 ILE 7 -1.503 10.832 -5.749 254 1HD1 ILE 7 1HD1 ILE 7 0.152 10.173 -9.522 255 2HD1 ILE 7 2HD1 ILE 7 0.684 11.696 -8.765 256 3HD1 ILE 7 3HD1 ILE 7 1.855 10.667 -9.597 257 H GLU 8 H GLU 8 2.662 7.965 -5.961 258 HA GLU 8 HA GLU 8 2.148 5.420 -7.150 259 1HB GLU 8 1HB GLU 8 4.260 6.670 -7.298 260 2HB GLU 8 2HB GLU 8 4.552 6.436 -5.569 261 1HG GLU 8 1HG GLU 8 4.658 3.966 -5.920 262 2HG GLU 8 2HG GLU 8 4.315 4.199 -7.642 263 H ALA 9 H ALA 9 3.053 6.220 -3.772 264 HA ALA 9 HA ALA 9 2.832 3.623 -2.676 265 1HB ALA 9 1HB ALA 9 3.965 5.533 -1.596 266 2HB ALA 9 2HB ALA 9 2.395 6.325 -1.335 267 3HB ALA 9 3HB ALA 9 2.768 4.784 -0.530 268 H ARG 10 H ARG 10 0.366 6.211 -2.987 269 HA ARG 10 HA ARG 10 -1.739 4.801 -1.694 270 1HB ARG 10 1HB ARG 10 -1.725 7.190 -2.010 271 2HB ARG 10 2HB ARG 10 -1.863 7.014 -3.766 272 1HG ARG 10 1HG ARG 10 -4.076 6.151 -3.632 273 2HG ARG 10 2HG ARG 10 -3.932 5.770 -1.907 274 1HD ARG 10 1HD ARG 10 -3.826 8.604 -3.001 275 2HD ARG 10 2HD ARG 10 -5.315 7.822 -2.422 276 HE ARG 10 HE ARG 10 -3.519 7.446 -0.358 277 1HH1 ARG 10 1HH1 ARG 10 -4.815 10.309 -1.970 278 2HH1 ARG 10 2HH1 ARG 10 -4.628 11.320 -0.550 279 1HH2 ARG 10 1HH2 ARG 10 -3.329 8.764 1.447 280 2HH2 ARG 10 2HH2 ARG 10 -3.786 10.458 1.357 281 H LYS 11 H LYS 11 -0.864 4.978 -5.216 282 HA LYS 11 HA LYS 11 -2.921 3.235 -6.149 283 1HB LYS 11 1HB LYS 11 -0.102 3.790 -7.128 284 2HB LYS 11 2HB LYS 11 -1.192 2.665 -7.950 285 1HG LYS 11 1HG LYS 11 -2.848 4.397 -8.321 286 2HG LYS 11 2HG LYS 11 -1.911 5.562 -7.373 287 1HD LYS 11 1HD LYS 11 -0.040 5.409 -9.001 288 2HD LYS 11 2HD LYS 11 -0.924 4.176 -9.914 289 1HE LYS 11 1HE LYS 11 -1.177 6.314 -11.040 290 2HE LYS 11 2HE LYS 11 -2.744 5.833 -10.371 291 1HZ LYS 11 1HZ LYS 11 -0.863 7.734 -9.148 292 2HZ LYS 11 2HZ LYS 11 -2.242 8.135 -9.956 293 3HZ LYS 11 3HZ LYS 11 -2.331 7.311 -8.532 294 H TYR 12 H TYR 12 0.415 2.399 -5.027 295 HA TYR 12 HA TYR 12 0.100 -0.416 -5.153 296 1HB TYR 12 1HB TYR 12 2.264 0.525 -4.788 297 2HB TYR 12 2HB TYR 12 1.751 1.333 -3.311 298 HD1 TYR 12 1HD TYR 12 2.232 -2.068 -4.822 299 HD2 TYR 12 2HD TYR 12 1.812 0.225 -1.200 300 HE1 TYR 12 1HE TYR 12 2.542 -4.129 -3.480 301 HE2 TYR 12 2HE TYR 12 2.115 -1.853 0.140 302 HH TYR 12 HH TYR 12 2.596 -5.029 -1.394 303 H LEU 13 H LEU 13 -0.496 1.696 -2.319 304 HA LEU 13 HA LEU 13 -1.438 -0.147 -0.462 305 1HB LEU 13 1HB LEU 13 -0.961 2.246 -0.035 306 2HB LEU 13 2HB LEU 13 -2.331 2.698 -1.040 307 HG LEU 13 HG LEU 13 -3.816 1.413 0.664 308 1HD1 LEU 13 1HD1 LEU 13 -1.315 1.888 2.359 309 2HD1 LEU 13 2HD1 LEU 13 -2.880 1.253 2.909 310 3HD1 LEU 13 3HD1 LEU 13 -1.878 0.299 1.807 311 1HD2 LEU 13 1HD2 LEU 13 -3.842 3.416 2.130 312 2HD2 LEU 13 2HD2 LEU 13 -2.336 3.975 1.366 313 3HD2 LEU 13 3HD2 LEU 13 -3.826 3.839 0.409 314 H GLU 14 H GLU 14 -3.491 1.785 -2.705 315 HA GLU 14 HA GLU 14 -5.911 0.440 -2.012 316 1HB GLU 14 1HB GLU 14 -5.165 2.107 -4.447 317 2HB GLU 14 2HB GLU 14 -6.809 1.576 -4.052 318 1HG GLU 14 1HG GLU 14 -5.066 3.398 -2.321 319 2HG GLU 14 2HG GLU 14 -6.456 3.883 -3.292 320 H GLN 15 H GLN 15 -3.588 -0.183 -4.703 321 HA GLN 15 HA GLN 15 -5.058 -2.306 -5.898 322 1HB GLN 15 1HB GLN 15 -3.104 -1.334 -6.947 323 2HB GLN 15 2HB GLN 15 -2.060 -1.893 -5.629 324 1HG GLN 15 1HG GLN 15 -2.513 -4.249 -6.220 325 2HG GLN 15 2HG GLN 15 -3.695 -3.737 -7.436 326 1HE2 GLN 15 1HE2 GLN 15 -0.306 -2.686 -6.651 327 2HE2 GLN 15 2HE2 GLN 15 0.264 -2.976 -8.292 328 H LEU 16 H LEU 16 -2.587 -2.457 -3.279 329 HA LEU 16 HA LEU 16 -2.715 -5.237 -2.847 330 1HB LEU 16 1HB LEU 16 -1.059 -3.419 -2.022 331 2HB LEU 16 2HB LEU 16 -2.169 -3.166 -0.687 332 HG LEU 16 HG LEU 16 -0.332 -4.545 -0.026 333 1HD1 LEU 16 1HD1 LEU 16 -2.627 -6.498 -0.337 334 2HD1 LEU 16 2HD1 LEU 16 -1.389 -6.459 0.925 335 3HD1 LEU 16 3HD1 LEU 16 -2.615 -5.176 0.857 336 1HD2 LEU 16 1HD2 LEU 16 0.307 -6.637 -1.033 337 2HD2 LEU 16 2HD2 LEU 16 -1.033 -6.576 -2.188 338 3HD2 LEU 16 3HD2 LEU 16 0.285 -5.393 -2.297 339 H HIS 17 H HIS 17 -4.463 -2.624 -1.099 340 HA HIS 17 HA HIS 17 -6.177 -4.196 0.500 341 1HB HIS 17 1HB HIS 17 -5.959 -1.803 0.766 342 2HB HIS 17 2HB HIS 17 -6.562 -1.523 -0.864 343 HD1 HIS 17 1HD HIS 17 -8.372 -3.807 1.751 344 HD2 HIS 17 2HD HIS 17 -8.721 -0.184 -0.403 345 HE1 HIS 17 1HE HIS 17 -10.729 -2.926 2.134 346 H ARG 18 H ARG 18 -6.759 -3.055 -2.873 347 HA ARG 18 HA ARG 18 -9.295 -4.289 -3.214 348 1HB ARG 18 1HB ARG 18 -8.619 -2.531 -4.617 349 2HB ARG 18 2HB ARG 18 -7.146 -3.345 -5.133 350 1HG ARG 18 1HG ARG 18 -9.771 -4.691 -5.751 351 2HG ARG 18 2HG ARG 18 -9.334 -3.247 -6.662 352 1HD ARG 18 1HD ARG 18 -7.262 -4.152 -7.426 353 2HD ARG 18 2HD ARG 18 -7.384 -5.580 -6.412 354 HE ARG 18 HE ARG 18 -8.616 -5.160 -8.981 355 1HH1 ARG 18 1HH1 ARG 18 -9.222 -6.837 -5.863 356 2HH1 ARG 18 2HH1 ARG 18 -9.971 -8.182 -6.714 357 1HH2 ARG 18 1HH2 ARG 18 -9.662 -6.974 -9.905 358 2HH2 ARG 18 2HH2 ARG 18 -10.222 -8.265 -8.852 359 H LYS 19 H LYS 19 -6.005 -5.600 -3.803 360 HA LYS 19 HA LYS 19 -6.947 -8.111 -4.886 361 1HB LYS 19 1HB LYS 19 -4.334 -7.341 -3.546 362 2HB LYS 19 2HB LYS 19 -4.624 -8.904 -4.316 363 1HG LYS 19 1HG LYS 19 -4.904 -6.262 -5.812 364 2HG LYS 19 2HG LYS 19 -3.388 -7.157 -5.685 365 1HD LYS 19 1HD LYS 19 -4.374 -9.090 -6.836 366 2HD LYS 19 2HD LYS 19 -5.968 -8.323 -6.846 367 1HE LYS 19 1HE LYS 19 -4.946 -8.068 -9.032 368 2HE LYS 19 2HE LYS 19 -5.134 -6.486 -8.263 369 1HZ LYS 19 1HZ LYS 19 -2.994 -6.743 -9.293 370 2HZ LYS 19 2HZ LYS 19 -2.818 -6.575 -7.666 371 3HZ LYS 19 3HZ LYS 19 -2.650 -8.059 -8.362 372 H LEU 20 H LEU 20 -5.992 -7.139 -1.545 373 HA LEU 20 HA LEU 20 -6.711 -9.629 -0.323 374 1HB LEU 20 1HB LEU 20 -6.781 -6.791 0.758 375 2HB LEU 20 2HB LEU 20 -7.042 -8.234 1.748 376 HG LEU 20 HG LEU 20 -4.489 -7.756 0.166 377 1HD1 LEU 20 1HD1 LEU 20 -3.539 -7.117 2.391 378 2HD1 LEU 20 2HD1 LEU 20 -4.804 -5.997 1.845 379 3HD1 LEU 20 3HD1 LEU 20 -5.173 -7.208 3.083 380 1HD2 LEU 20 1HD2 LEU 20 -4.807 -10.127 0.700 381 2HD2 LEU 20 2HD2 LEU 20 -3.583 -9.453 1.775 382 3HD2 LEU 20 3HD2 LEU 20 -5.230 -9.727 2.378 383 H LYS 21 H LYS 21 -8.760 -6.732 -0.936 384 HA LYS 21 HA LYS 21 -11.166 -7.677 0.129 385 1HB LYS 21 1HB LYS 21 -10.690 -5.397 -0.810 386 2HB LYS 21 2HB LYS 21 -10.841 -6.073 -2.437 387 1HG LYS 21 1HG LYS 21 -13.185 -6.729 -1.956 388 2HG LYS 21 2HG LYS 21 -13.020 -6.104 -0.301 389 1HD LYS 21 1HD LYS 21 -12.538 -3.833 -1.206 390 2HD LYS 21 2HD LYS 21 -12.690 -4.458 -2.860 391 1HE LYS 21 1HE LYS 21 -15.052 -5.100 -2.403 392 2HE LYS 21 2HE LYS 21 -14.902 -4.480 -0.748 393 1HZ LYS 21 1HZ LYS 21 -14.602 -2.893 -3.202 394 2HZ LYS 21 2HZ LYS 21 -15.912 -2.887 -2.202 395 3HZ LYS 21 3HZ LYS 21 -14.461 -2.317 -1.665 396 H ASN 22 H ASN 22 -9.762 -8.366 -3.094 397 HA ASN 22 HA ASN 22 -11.827 -9.923 -4.154 398 1HB ASN 22 1HB ASN 22 -9.370 -9.180 -5.022 399 2HB ASN 22 2HB ASN 22 -9.019 -10.861 -4.662 400 1HD2 ASN 22 1HD2 ASN 22 -11.256 -12.269 -5.393 401 2HD2 ASN 22 2HD2 ASN 22 -11.575 -11.986 -7.106 402 H CYS 23 H CYS 23 -9.714 -10.819 -1.506 403 HA CYS 23 HA CYS 23 -9.975 -13.679 -1.639 404 1HB CYS 23 1HB CYS 23 -8.310 -12.315 -0.350 405 2HB CYS 23 2HB CYS 23 -9.619 -11.876 0.769 406 H LYS 24 H LYS 24 -12.141 -11.110 -0.647 407 HA LYS 24 HA LYS 24 -14.283 -11.028 -0.186 408 1HB LYS 24 1HB LYS 24 -14.343 -12.635 -2.087 409 2HB LYS 24 2HB LYS 24 -14.487 -13.968 -0.926 410 1HG LYS 24 1HG LYS 24 -16.569 -12.970 -0.028 411 2HG LYS 24 2HG LYS 24 -16.402 -11.600 -1.145 412 1HD LYS 24 1HD LYS 24 -16.489 -13.186 -3.077 413 2HD LYS 24 2HD LYS 24 -16.750 -14.530 -1.956 414 1HE LYS 24 1HE LYS 24 -18.580 -12.094 -2.267 415 2HE LYS 24 2HE LYS 24 -18.868 -13.687 -2.981 416 1HZ LYS 24 1HZ LYS 24 -20.076 -13.428 -0.960 417 2HZ LYS 24 2HZ LYS 24 -18.934 -14.601 -0.769 418 3HZ LYS 24 3HZ LYS 24 -18.704 -13.110 -0.106 419 H VAL 25 H VAL 25 -13.163 -14.126 1.256 420 HA VAL 25 HA VAL 25 -14.964 -14.055 3.477 421 HB VAL 25 HB VAL 25 -13.718 -16.046 2.678 422 1HG1 VAL 25 1HG1 VAL 25 -11.319 -14.921 4.182 423 2HG1 VAL 25 2HG1 VAL 25 -11.429 -16.466 3.330 424 3HG1 VAL 25 3HG1 VAL 25 -11.459 -14.954 2.410 425 1HG2 VAL 25 1HG2 VAL 25 -14.793 -16.001 4.911 426 2HG2 VAL 25 2HG2 VAL 25 -13.351 -17.032 4.875 427 3HG2 VAL 25 3HG2 VAL 25 -13.270 -15.431 5.631 428 1H GLU 1 1H GLU 1 7.860 13.848 -2.467 429 2H GLU 1 2H GLU 1 6.216 13.685 -2.535 430 3H GLU 1 3H GLU 1 7.186 12.485 -3.096 431 HA GLU 1 HA GLU 1 8.015 11.973 -0.978 432 1HB GLU 1 1HB GLU 1 6.315 14.321 -0.050 433 2HB GLU 1 2HB GLU 1 7.043 13.132 1.026 434 1HG GLU 1 1HG GLU 1 9.315 13.721 0.055 435 2HG GLU 1 2HG GLU 1 8.533 15.038 -0.836 436 H ASN 2 H ASN 2 7.032 10.490 0.428 437 HA ASN 2 HA ASN 2 4.599 9.248 -0.493 438 1HB ASN 2 1HB ASN 2 5.005 7.698 1.385 439 2HB ASN 2 2HB ASN 2 6.356 7.884 0.271 440 1HD2 ASN 2 1HD2 ASN 2 5.651 7.665 3.511 441 2HD2 ASN 2 2HD2 ASN 2 7.181 8.327 4.095 442 H ARG 3 H ARG 3 5.310 11.522 2.093 443 HA ARG 3 HA ARG 3 3.929 12.793 3.376 444 1HB ARG 3 1HB ARG 3 3.672 13.471 1.060 445 2HB ARG 3 2HB ARG 3 2.178 12.547 0.907 446 1HG ARG 3 1HG ARG 3 1.115 13.980 2.650 447 2HG ARG 3 2HG ARG 3 2.645 14.793 2.924 448 1HD ARG 3 1HD ARG 3 1.004 14.892 0.347 449 2HD ARG 3 2HD ARG 3 1.146 16.151 1.560 450 HE ARG 3 HE ARG 3 3.256 16.740 0.834 451 1HH1 ARG 3 1HH1 ARG 3 2.199 13.903 -1.064 452 2HH1 ARG 3 2HH1 ARG 3 3.566 14.072 -2.162 453 1HH2 ARG 3 1HH2 ARG 3 5.044 16.741 -0.577 454 2HH2 ARG 3 2HH2 ARG 3 5.042 15.597 -1.922 455 H GLU 4 H GLU 4 0.786 11.880 2.280 456 HA GLU 4 HA GLU 4 -0.015 11.200 4.886 457 1HB GLU 4 1HB GLU 4 -1.366 10.515 2.252 458 2HB GLU 4 2HB GLU 4 -2.095 10.387 3.860 459 1HG GLU 4 1HG GLU 4 -1.586 12.862 4.199 460 2HG GLU 4 2HG GLU 4 -1.190 12.946 2.473 461 H VAL 5 H VAL 5 1.487 9.066 2.507 462 HA VAL 5 HA VAL 5 0.742 6.662 4.082 463 HB VAL 5 HB VAL 5 2.460 6.880 1.597 464 1HG1 VAL 5 1HG1 VAL 5 1.287 4.523 3.159 465 2HG1 VAL 5 2HG1 VAL 5 2.034 4.387 1.564 466 3HG1 VAL 5 3HG1 VAL 5 3.012 4.897 2.945 467 1HG2 VAL 5 1HG2 VAL 5 0.495 5.886 0.458 468 2HG2 VAL 5 2HG2 VAL 5 -0.447 6.030 1.953 469 3HG2 VAL 5 3HG2 VAL 5 0.115 7.486 1.104 470 HA PRO 6 HA PRO 6 4.388 8.028 6.337 471 1HB PRO 6 1HB PRO 6 4.225 6.514 8.604 472 2HB PRO 6 2HB PRO 6 3.065 7.816 8.225 473 1HG PRO 6 1HG PRO 6 2.744 4.847 7.640 474 2HG PRO 6 2HG PRO 6 1.598 5.902 8.509 475 1HD PRO 6 1HD PRO 6 1.296 5.403 5.877 476 2HD PRO 6 2HD PRO 6 0.997 7.041 6.536 477 HA PRO 7 HA PRO 7 7.685 5.085 5.309 478 1HB PRO 7 1HB PRO 7 8.707 5.851 8.058 479 2HB PRO 7 2HB PRO 7 9.629 5.672 6.539 480 1HG PRO 7 1HG PRO 7 8.934 8.142 7.396 481 2HG PRO 7 2HG PRO 7 8.704 7.714 5.676 482 1HD PRO 7 1HD PRO 7 6.629 7.749 7.884 483 2HD PRO 7 2HD PRO 7 6.533 8.398 6.222 484 H GLY 8 H GLY 8 6.334 5.036 8.613 485 1HA GLY 8 1HA GLY 8 6.826 2.460 9.498 486 2HA GLY 8 2HA GLY 8 5.344 3.364 9.818 487 H PHE 9 H PHE 9 4.407 3.434 7.011 488 HA PHE 9 HA PHE 9 3.080 0.838 6.938 489 1HB PHE 9 1HB PHE 9 1.894 2.794 6.174 490 2HB PHE 9 2HB PHE 9 3.146 3.167 4.990 491 HD1 PHE 9 1HD PHE 9 3.046 2.275 2.793 492 HD2 PHE 9 2HD PHE 9 0.759 0.436 5.943 493 HE1 PHE 9 1HE PHE 9 1.955 0.802 1.134 494 HE2 PHE 9 2HE PHE 9 -0.263 -1.114 4.290 495 HZ PHE 9 HZ PHE 9 0.316 -0.916 1.879 496 H THR 10 H THR 10 5.523 2.457 4.813 497 HA THR 10 HA THR 10 6.078 0.297 3.124 498 HB THR 10 HB THR 10 8.125 2.289 4.193 499 HG1 THR 10 1HG THR 10 7.320 3.563 2.421 500 1HG2 THR 10 1HG2 THR 10 7.782 0.935 1.476 501 2HG2 THR 10 2HG2 THR 10 9.047 2.104 1.906 502 3HG2 THR 10 3HG2 THR 10 9.017 0.512 2.683 503 H ALA 11 H ALA 11 7.528 1.095 6.299 504 HA ALA 11 HA ALA 11 9.307 -1.124 6.452 505 1HB ALA 11 1HB ALA 11 9.404 0.978 7.802 506 2HB ALA 11 2HB ALA 11 8.027 0.386 8.755 507 3HB ALA 11 3HB ALA 11 9.567 -0.506 8.748 508 H LEU 12 H LEU 12 5.925 -0.771 7.657 509 HA LEU 12 HA LEU 12 5.600 -3.349 8.768 510 1HB LEU 12 1HB LEU 12 4.045 -1.493 9.011 511 2HB LEU 12 2HB LEU 12 3.537 -1.620 7.333 512 HG LEU 12 HG LEU 12 3.350 -4.029 9.143 513 1HD1 LEU 12 1HD1 LEU 12 1.061 -3.302 9.792 514 2HD1 LEU 12 2HD1 LEU 12 2.311 -2.225 10.429 515 3HD1 LEU 12 3HD1 LEU 12 1.358 -1.738 9.007 516 1HD2 LEU 12 1HD2 LEU 12 1.667 -3.022 6.790 517 2HD2 LEU 12 2HD2 LEU 12 2.756 -4.423 6.765 518 3HD2 LEU 12 3HD2 LEU 12 1.299 -4.468 7.747 519 H ILE 13 H ILE 13 4.870 -2.277 5.407 520 HA ILE 13 HA ILE 13 4.234 -4.866 4.405 521 HB ILE 13 HB ILE 13 5.267 -2.360 3.046 522 1HG1 ILE 13 1HG1 ILE 13 3.046 -2.147 4.180 523 2HG1 ILE 13 2HG1 ILE 13 3.018 -1.905 2.440 524 1HG2 ILE 13 1HG2 ILE 13 4.293 -3.346 0.944 525 2HG2 ILE 13 2HG2 ILE 13 5.771 -4.105 1.516 526 3HG2 ILE 13 3HG2 ILE 13 4.218 -4.917 1.778 527 1HD1 ILE 13 1HD1 ILE 13 2.057 -4.162 2.112 528 2HD1 ILE 13 2HD1 ILE 13 2.121 -4.452 3.868 529 3HD1 ILE 13 3HD1 ILE 13 1.076 -3.191 3.212 530 H LYS 14 H LYS 14 7.407 -3.178 4.452 531 HA LYS 14 HA LYS 14 8.927 -5.242 3.216 532 1HB LYS 14 1HB LYS 14 9.714 -2.938 3.677 533 2HB LYS 14 2HB LYS 14 9.775 -3.323 5.406 534 1HG LYS 14 1HG LYS 14 11.486 -5.064 4.977 535 2HG LYS 14 2HG LYS 14 11.302 -4.831 3.234 536 1HD LYS 14 1HD LYS 14 13.309 -3.708 3.954 537 2HD LYS 14 2HD LYS 14 12.129 -2.486 3.459 538 1HE LYS 14 1HE LYS 14 11.583 -2.021 5.827 539 2HE LYS 14 2HE LYS 14 12.648 -3.340 6.353 540 1HZ LYS 14 1HZ LYS 14 14.483 -2.136 5.408 541 2HZ LYS 14 2HZ LYS 14 13.488 -0.920 4.914 542 3HZ LYS 14 3HZ LYS 14 13.698 -1.210 6.522 543 H THR 15 H THR 15 8.267 -4.771 6.727 544 HA THR 15 HA THR 15 9.629 -7.194 7.462 545 HB THR 15 HB THR 15 8.356 -6.979 9.642 546 HG1 THR 15 1HG THR 15 7.601 -4.529 8.418 547 1HG2 THR 15 1HG2 THR 15 10.056 -4.664 8.632 548 2HG2 THR 15 2HG2 THR 15 9.780 -5.106 10.336 549 3HG2 THR 15 3HG2 THR 15 10.662 -6.205 9.273 550 H LEU 16 H LEU 16 6.171 -6.631 6.776 551 HA LEU 16 HA LEU 16 5.227 -9.260 7.203 552 1HB LEU 16 1HB LEU 16 3.894 -7.257 6.683 553 2HB LEU 16 2HB LEU 16 4.431 -7.289 5.009 554 HG LEU 16 HG LEU 16 2.949 -9.619 6.309 555 1HD1 LEU 16 1HD1 LEU 16 1.802 -7.227 4.809 556 2HD1 LEU 16 2HD1 LEU 16 0.892 -8.665 5.321 557 3HD1 LEU 16 3HD1 LEU 16 1.585 -7.583 6.537 558 1HD2 LEU 16 1HD2 LEU 16 3.383 -8.773 3.402 559 2HD2 LEU 16 2HD2 LEU 16 3.938 -10.279 4.167 560 3HD2 LEU 16 3HD2 LEU 16 2.222 -10.012 3.912 561 H ARG 17 H ARG 17 6.526 -7.876 4.117 562 HA ARG 17 HA ARG 17 6.660 -10.297 2.665 563 1HB ARG 17 1HB ARG 17 8.314 -7.762 2.553 564 2HB ARG 17 2HB ARG 17 8.567 -9.109 1.438 565 1HG ARG 17 1HG ARG 17 6.271 -9.001 0.644 566 2HG ARG 17 2HG ARG 17 5.883 -7.699 1.784 567 1HD ARG 17 1HD ARG 17 8.024 -7.547 -0.379 568 2HD ARG 17 2HD ARG 17 6.380 -6.890 -0.539 569 HE ARG 17 HE ARG 17 7.333 -5.800 1.822 570 1HH1 ARG 17 1HH1 ARG 17 8.338 -5.709 -1.548 571 2HH1 ARG 17 2HH1 ARG 17 9.008 -4.097 -1.454 572 1HH2 ARG 17 1HH2 ARG 17 8.174 -3.688 1.938 573 2HH2 ARG 17 2HH2 ARG 17 8.920 -2.952 0.540 574 H LYS 18 H LYS 18 9.139 -8.868 4.839 575 HA LYS 18 HA LYS 18 11.098 -10.835 4.429 576 1HB LYS 18 1HB LYS 18 11.414 -8.633 5.586 577 2HB LYS 18 2HB LYS 18 10.544 -9.272 6.977 578 1HG LYS 18 1HG LYS 18 12.949 -9.339 7.343 579 2HG LYS 18 2HG LYS 18 12.235 -10.948 7.388 580 1HD LYS 18 1HD LYS 18 14.409 -10.916 6.214 581 2HD LYS 18 2HD LYS 18 13.120 -11.453 5.136 582 1HE LYS 18 1HE LYS 18 13.028 -9.211 4.089 583 2HE LYS 18 2HE LYS 18 14.225 -8.603 5.250 584 1HZ LYS 18 1HZ LYS 18 15.786 -10.172 4.339 585 2HZ LYS 18 2HZ LYS 18 14.660 -10.733 3.274 586 3HZ LYS 18 3HZ LYS 18 15.203 -9.183 3.157 587 H CYS 19 H CYS 19 8.520 -10.783 6.985 588 HA CYS 19 HA CYS 19 9.174 -13.347 8.065 589 1HB CYS 19 1HB CYS 19 7.655 -11.739 9.168 590 2HB CYS 19 2HB CYS 19 6.409 -12.118 7.960 591 H LYS 20 H LYS 20 6.959 -12.431 5.430 592 HA LYS 20 HA LYS 20 6.210 -15.120 4.704 593 1HB LYS 20 1HB LYS 20 4.947 -13.012 4.292 594 2HB LYS 20 2HB LYS 20 6.166 -12.536 3.106 595 1HG LYS 20 1HG LYS 20 5.551 -14.453 1.678 596 2HG LYS 20 2HG LYS 20 4.418 -15.032 2.918 597 1HD LYS 20 1HD LYS 20 3.120 -12.912 2.675 598 2HD LYS 20 2HD LYS 20 4.296 -12.337 1.474 599 1HE LYS 20 1HE LYS 20 3.742 -14.269 0.004 600 2HE LYS 20 2HE LYS 20 2.561 -14.841 1.198 601 1HZ LYS 20 1HZ LYS 20 1.529 -13.582 -0.543 602 2HZ LYS 20 2HZ LYS 20 1.363 -12.793 0.894 603 3HZ LYS 20 3HZ LYS 20 2.464 -12.265 -0.213 604 H ILE 21 H ILE 21 9.267 -13.739 4.493 605 HA ILE 21 HA ILE 21 11.152 -14.183 3.429 606 HB ILE 21 HB ILE 21 9.827 -16.400 1.830 607 1HG1 ILE 21 1HG1 ILE 21 9.394 -16.962 4.133 608 2HG1 ILE 21 2HG1 ILE 21 10.698 -17.966 3.518 609 1HG2 ILE 21 1HG2 ILE 21 12.135 -17.282 1.741 610 2HG2 ILE 21 2HG2 ILE 21 11.963 -15.718 0.937 611 3HG2 ILE 21 3HG2 ILE 21 12.722 -15.806 2.535 612 1HD1 ILE 21 1HD1 ILE 21 11.180 -17.250 5.789 613 2HD1 ILE 21 2HD1 ILE 21 12.359 -16.505 4.700 614 3HD1 ILE 21 3HD1 ILE 21 11.006 -15.547 5.352 615 H ILE 22 H ILE 22 8.524 -14.544 1.050 616 HA ILE 22 HA ILE 22 9.908 -12.693 -0.827 617 HB ILE 22 HB ILE 22 8.203 -13.332 -2.432 618 1HG1 ILE 22 1HG1 ILE 22 7.130 -15.255 -0.308 619 2HG1 ILE 22 2HG1 ILE 22 6.306 -13.802 -0.896 620 1HG2 ILE 22 1HG2 ILE 22 10.355 -14.597 -2.123 621 2HG2 ILE 22 2HG2 ILE 22 9.472 -15.786 -1.144 622 3HG2 ILE 22 3HG2 ILE 22 9.067 -15.552 -2.858 623 1HD1 ILE 22 1HD1 ILE 22 6.947 -16.283 -2.520 624 2HD1 ILE 22 2HD1 ILE 22 5.363 -15.687 -2.010 625 3HD1 ILE 22 3HD1 ILE 22 6.305 -14.768 -3.202 626 1H ASN 1 1H ASN 1 -5.782 14.797 5.802 627 2H ASN 1 2H ASN 1 -4.236 14.912 6.362 628 3H ASN 1 3H ASN 1 -4.698 13.596 5.491 629 HA ASN 1 HA ASN 1 -4.505 13.083 7.815 630 1HB ASN 1 1HB ASN 1 -4.918 15.226 8.804 631 2HB ASN 1 2HB ASN 1 -6.508 15.346 8.055 632 1HD2 ASN 1 1HD2 ASN 1 -7.831 15.467 9.879 633 2HD2 ASN 1 2HD2 ASN 1 -8.028 14.099 10.957 634 H LEU 2 H LEU 2 -7.915 13.942 7.283 635 HA LEU 2 HA LEU 2 -9.797 12.740 7.343 636 1HB LEU 2 1HB LEU 2 -8.270 10.423 6.114 637 2HB LEU 2 2HB LEU 2 -10.015 10.659 6.147 638 HG LEU 2 HG LEU 2 -8.006 12.431 4.672 639 1HD1 LEU 2 1HD1 LEU 2 -8.977 11.436 2.648 640 2HD1 LEU 2 2HD1 LEU 2 -8.254 10.192 3.681 641 3HD1 LEU 2 3HD1 LEU 2 -10.021 10.396 3.639 642 1HD2 LEU 2 1HD2 LEU 2 -10.051 13.400 3.601 643 2HD2 LEU 2 2HD2 LEU 2 -11.060 12.495 4.748 644 3HD2 LEU 2 3HD2 LEU 2 -9.962 13.770 5.325 645 H VAL 3 H VAL 3 -7.311 10.294 8.212 646 HA VAL 3 HA VAL 3 -8.978 8.764 9.865 647 HB VAL 3 HB VAL 3 -5.963 9.129 9.962 648 1HG1 VAL 3 1HG1 VAL 3 -5.964 6.858 11.048 649 2HG1 VAL 3 2HG1 VAL 3 -6.633 8.114 12.089 650 3HG1 VAL 3 3HG1 VAL 3 -7.720 6.988 11.246 651 1HG2 VAL 3 1HG2 VAL 3 -7.778 7.061 8.631 652 2HG2 VAL 3 2HG2 VAL 3 -6.792 8.290 7.807 653 3HG2 VAL 3 3HG2 VAL 3 -6.010 6.967 8.677 654 H SER 4 H SER 4 -6.928 11.508 10.886 655 HA SER 4 HA SER 4 -7.063 12.914 12.601 656 1HB SER 4 1HB SER 4 -9.841 11.794 13.127 657 2HB SER 4 2HB SER 4 -9.171 13.332 13.688 658 HG SER 4 HG SER 4 -9.692 12.535 11.005 659 H GLY 5 H GLY 5 -8.147 9.704 13.804 660 1HA GLY 5 1HA GLY 5 -7.021 10.081 16.469 661 2HA GLY 5 2HA GLY 5 -7.538 8.563 15.727 662 H LEU 6 H LEU 6 -4.994 10.992 15.035 663 HA LEU 6 HA LEU 6 -3.292 9.293 13.681 664 1HB LEU 6 1HB LEU 6 -3.162 11.717 13.575 665 2HB LEU 6 2HB LEU 6 -2.638 11.804 15.261 666 HG LEU 6 HG LEU 6 -0.519 10.663 14.698 667 1HD1 LEU 6 1HD1 LEU 6 -1.198 9.243 12.800 668 2HD1 LEU 6 2HD1 LEU 6 -1.575 10.688 11.832 669 3HD1 LEU 6 3HD1 LEU 6 0.099 10.329 12.307 670 1HD2 LEU 6 1HD2 LEU 6 -1.150 13.014 12.866 671 2HD2 LEU 6 2HD2 LEU 6 -0.674 13.121 14.575 672 3HD2 LEU 6 3HD2 LEU 6 0.468 12.485 13.377 673 H ILE 7 H ILE 7 -2.992 10.181 17.159 674 HA ILE 7 HA ILE 7 -0.720 8.586 17.668 675 HB ILE 7 HB ILE 7 -1.202 8.739 19.980 676 1HG1 ILE 7 1HG1 ILE 7 -3.557 8.294 20.193 677 2HG1 ILE 7 2HG1 ILE 7 -3.114 9.798 20.974 678 1HG2 ILE 7 1HG2 ILE 7 -1.242 11.163 20.230 679 2HG2 ILE 7 2HG2 ILE 7 -0.236 10.661 18.862 680 3HG2 ILE 7 3HG2 ILE 7 -1.837 11.358 18.571 681 1HD1 ILE 7 1HD1 ILE 7 -4.065 11.086 19.049 682 2HD1 ILE 7 2HD1 ILE 7 -4.630 9.553 18.341 683 3HD1 ILE 7 3HD1 ILE 7 -5.240 10.083 19.906 684 H GLU 8 H GLU 8 -4.161 7.633 17.831 685 HA GLU 8 HA GLU 8 -3.738 4.977 18.836 686 1HB GLU 8 1HB GLU 8 -5.977 6.143 17.122 687 2HB GLU 8 2HB GLU 8 -6.033 4.592 17.967 688 1HG GLU 8 1HG GLU 8 -5.886 5.695 20.142 689 2HG GLU 8 2HG GLU 8 -5.653 7.277 19.386 690 H ALA 9 H ALA 9 -4.194 6.277 15.533 691 HA ALA 9 HA ALA 9 -3.849 3.893 14.073 692 1HB ALA 9 1HB ALA 9 -3.361 5.329 12.197 693 2HB ALA 9 2HB ALA 9 -4.712 5.982 13.146 694 3HB ALA 9 3HB ALA 9 -3.099 6.717 13.288 695 H ARG 10 H ARG 10 -1.380 6.313 14.986 696 HA ARG 10 HA ARG 10 0.893 5.037 13.942 697 1HB ARG 10 1HB ARG 10 0.680 7.405 14.863 698 2HB ARG 10 2HB ARG 10 0.751 6.712 16.480 699 1HG ARG 10 1HG ARG 10 2.987 7.012 16.315 700 2HG ARG 10 2HG ARG 10 3.004 5.577 15.286 701 1HD ARG 10 1HD ARG 10 2.795 8.484 14.418 702 2HD ARG 10 2HD ARG 10 4.197 7.418 14.193 703 HE ARG 10 HE ARG 10 2.279 6.020 12.899 704 1HH1 ARG 10 1HH1 ARG 10 3.327 9.365 12.546 705 2HH1 ARG 10 2HH1 ARG 10 2.656 9.544 10.941 706 1HH2 ARG 10 1HH2 ARG 10 1.324 6.275 10.903 707 2HH2 ARG 10 2HH2 ARG 10 1.444 7.786 10.028 708 H LYS 11 H LYS 11 -0.495 4.791 17.271 709 HA LYS 11 HA LYS 11 1.341 2.895 18.287 710 1HB LYS 11 1HB LYS 11 -1.573 3.455 18.909 711 2HB LYS 11 2HB LYS 11 -0.631 2.243 19.790 712 1HG LYS 11 1HG LYS 11 0.972 3.866 20.542 713 2HG LYS 11 2HG LYS 11 0.285 5.133 19.516 714 1HD LYS 11 1HD LYS 11 -1.880 4.952 20.754 715 2HD LYS 11 2HD LYS 11 -1.147 3.769 21.849 716 1HE LYS 11 1HE LYS 11 -0.192 6.650 21.429 717 2HE LYS 11 2HE LYS 11 -1.178 6.087 22.788 718 1HZ LYS 11 1HZ LYS 11 0.610 4.619 23.401 719 2HZ LYS 11 2HZ LYS 11 1.539 5.173 22.159 720 3HZ LYS 11 3HZ LYS 11 1.112 6.188 23.383 721 H TYR 12 H TYR 12 -1.890 2.150 16.736 722 HA TYR 12 HA TYR 12 -1.310 -0.642 16.872 723 1HB TYR 12 1HB TYR 12 -3.276 -1.108 15.988 724 2HB TYR 12 2HB TYR 12 -3.594 0.510 16.574 725 HD1 TYR 12 1HD TYR 12 -2.668 -1.477 13.513 726 HD2 TYR 12 2HD TYR 12 -4.719 1.966 15.089 727 HE1 TYR 12 1HE TYR 12 -3.593 -1.003 11.271 728 HE2 TYR 12 2HE TYR 12 -5.641 2.439 12.824 729 HH TYR 12 HH TYR 12 -4.624 0.557 9.982 730 H LEU 13 H LEU 13 -0.740 1.675 14.214 731 HA LEU 13 HA LEU 13 0.269 -0.052 12.245 732 1HB LEU 13 1HB LEU 13 -0.097 2.300 11.815 733 2HB LEU 13 2HB LEU 13 1.041 2.764 13.072 734 HG LEU 13 HG LEU 13 2.933 1.868 11.749 735 1HD1 LEU 13 1HD1 LEU 13 2.631 1.260 9.410 736 2HD1 LEU 13 2HD1 LEU 13 1.678 0.165 10.415 737 3HD1 LEU 13 3HD1 LEU 13 0.879 1.490 9.531 738 1HD2 LEU 13 1HD2 LEU 13 2.319 4.227 11.612 739 2HD2 LEU 13 2HD2 LEU 13 2.891 3.645 10.039 740 3HD2 LEU 13 3HD2 LEU 13 1.152 3.875 10.316 741 H GLU 14 H GLU 14 2.227 1.676 14.742 742 HA GLU 14 HA GLU 14 4.637 0.300 14.059 743 1HB GLU 14 1HB GLU 14 3.844 1.852 16.550 744 2HB GLU 14 2HB GLU 14 5.486 1.292 16.193 745 1HG GLU 14 1HG GLU 14 3.866 3.241 14.477 746 2HG GLU 14 2HG GLU 14 5.208 3.652 15.546 747 H GLN 15 H GLN 15 2.219 -0.370 16.627 748 HA GLN 15 HA GLN 15 3.562 -2.562 17.835 749 1HB GLN 15 1HB GLN 15 1.599 -1.349 18.693 750 2HB GLN 15 2HB GLN 15 0.576 -2.072 17.457 751 1HG GLN 15 1HG GLN 15 2.124 -3.580 19.629 752 2HG GLN 15 2HG GLN 15 0.427 -3.107 19.745 753 1HE2 GLN 15 1HE2 GLN 15 -0.567 -3.798 17.179 754 2HE2 GLN 15 2HE2 GLN 15 -0.434 -5.547 17.059 755 H LEU 16 H LEU 16 1.192 -2.546 15.114 756 HA LEU 16 HA LEU 16 1.282 -5.343 14.666 757 1HB LEU 16 1HB LEU 16 -0.531 -3.869 13.937 758 2HB LEU 16 2HB LEU 16 0.551 -3.057 12.796 759 HG LEU 16 HG LEU 16 0.764 -5.107 11.479 760 1HD1 LEU 16 1HD1 LEU 16 0.590 -6.870 13.165 761 2HD1 LEU 16 2HD1 LEU 16 -1.067 -6.361 13.573 762 3HD1 LEU 16 3HD1 LEU 16 -0.706 -7.077 11.988 763 1HD2 LEU 16 1HD2 LEU 16 -1.548 -5.240 10.672 764 2HD2 LEU 16 2HD2 LEU 16 -2.136 -4.463 12.157 765 3HD2 LEU 16 3HD2 LEU 16 -1.110 -3.557 11.026 766 H HIS 17 H HIS 17 3.082 -2.673 13.070 767 HA HIS 17 HA HIS 17 4.726 -4.173 11.327 768 1HB HIS 17 1HB HIS 17 4.604 -1.767 11.269 769 2HB HIS 17 2HB HIS 17 5.175 -1.648 12.927 770 HD1 HIS 17 1HD HIS 17 7.165 -3.892 10.487 771 HD2 HIS 17 2HD HIS 17 7.176 -0.069 12.292 772 HE1 HIS 17 1HE HIS 17 9.464 -2.866 10.082 773 H ARG 18 H ARG 18 5.382 -3.272 14.757 774 HA ARG 18 HA ARG 18 7.803 -4.680 15.102 775 1HB ARG 18 1HB ARG 18 7.196 -3.088 16.670 776 2HB ARG 18 2HB ARG 18 5.600 -3.757 16.951 777 1HG ARG 18 1HG ARG 18 7.949 -5.490 17.701 778 2HG ARG 18 2HG ARG 18 7.619 -4.055 18.674 779 1HD ARG 18 1HD ARG 18 5.301 -4.713 19.048 780 2HD ARG 18 2HD ARG 18 5.504 -6.178 18.102 781 HE ARG 18 HE ARG 18 6.394 -5.659 20.830 782 1HH1 ARG 18 1HH1 ARG 18 7.118 -7.620 17.981 783 2HH1 ARG 18 2HH1 ARG 18 7.771 -8.943 18.940 784 1HH2 ARG 18 1HH2 ARG 18 7.276 -7.384 22.011 785 2HH2 ARG 18 2HH2 ARG 18 7.875 -8.798 21.170 786 H LYS 19 H LYS 19 4.436 -5.916 15.572 787 HA LYS 19 HA LYS 19 5.321 -8.597 16.188 788 1HB LYS 19 1HB LYS 19 2.700 -7.569 15.054 789 2HB LYS 19 2HB LYS 19 2.986 -9.248 15.520 790 1HG LYS 19 1HG LYS 19 3.201 -6.861 17.401 791 2HG LYS 19 2HG LYS 19 1.812 -7.938 17.263 792 1HD LYS 19 1HD LYS 19 3.316 -9.885 17.873 793 2HD LYS 19 2HD LYS 19 4.605 -8.724 18.234 794 1HE LYS 19 1HE LYS 19 1.880 -8.803 19.589 795 2HE LYS 19 2HE LYS 19 3.410 -9.387 20.267 796 1HZ LYS 19 1HZ LYS 19 4.249 -7.124 20.050 797 2HZ LYS 19 2HZ LYS 19 2.754 -6.624 19.546 798 3HZ LYS 19 3HZ LYS 19 2.952 -7.225 21.066 799 H LEU 20 H LEU 20 4.409 -7.133 13.034 800 HA LEU 20 HA LEU 20 4.930 -9.508 11.517 801 1HB LEU 20 1HB LEU 20 4.835 -6.574 10.785 802 2HB LEU 20 2HB LEU 20 5.069 -7.841 9.581 803 HG LEU 20 HG LEU 20 2.688 -7.893 11.485 804 1HD1 LEU 20 1HD1 LEU 20 2.890 -6.577 8.749 805 2HD1 LEU 20 2HD1 LEU 20 1.384 -6.852 9.653 806 3HD1 LEU 20 3HD1 LEU 20 2.627 -5.775 10.313 807 1HD2 LEU 20 1HD2 LEU 20 3.161 -10.021 10.287 808 2HD2 LEU 20 2HD2 LEU 20 1.688 -9.262 9.672 809 3HD2 LEU 20 3HD2 LEU 20 3.195 -9.143 8.744 810 H LYS 21 H LYS 21 7.164 -7.067 12.744 811 HA LYS 21 HA LYS 21 9.468 -8.151 11.334 812 1HB LYS 21 1HB LYS 21 9.330 -5.899 12.446 813 2HB LYS 21 2HB LYS 21 9.385 -6.703 14.014 814 1HG LYS 21 1HG LYS 21 11.586 -7.703 13.442 815 2HG LYS 21 2HG LYS 21 11.516 -6.939 11.841 816 1HD LYS 21 1HD LYS 21 11.421 -4.693 12.922 817 2HD LYS 21 2HD LYS 21 11.501 -5.462 14.519 818 1HE LYS 21 1HE LYS 21 13.714 -6.445 13.934 819 2HE LYS 21 2HE LYS 21 13.633 -5.680 12.336 820 1HZ LYS 21 1HZ LYS 21 13.656 -4.263 14.909 821 2HZ LYS 21 2HZ LYS 21 14.925 -4.393 13.867 822 3HZ LYS 21 3HZ LYS 21 13.579 -3.553 13.425 823 H ASN 22 H ASN 22 8.328 -8.561 14.717 824 HA ASN 22 HA ASN 22 10.107 -10.559 15.517 825 1HB ASN 22 1HB ASN 22 8.440 -9.158 16.817 826 2HB ASN 22 2HB ASN 22 7.209 -10.362 16.425 827 1HD2 ASN 22 1HD2 ASN 22 9.335 -12.660 16.766 828 2HD2 ASN 22 2HD2 ASN 22 9.502 -12.695 18.515 829 H CYS 23 H CYS 23 7.079 -10.934 13.767 830 HA CYS 23 HA CYS 23 6.510 -13.607 13.624 831 1HB CYS 23 1HB CYS 23 5.312 -11.796 12.549 832 2HB CYS 23 2HB CYS 23 6.652 -11.523 11.433 833 H LYS 24 H LYS 24 9.302 -11.998 11.994 834 HA LYS 24 HA LYS 24 10.129 -14.486 10.699 835 1HB LYS 24 1HB LYS 24 10.539 -12.264 9.707 836 2HB LYS 24 2HB LYS 24 11.594 -11.849 11.056 837 1HG LYS 24 1HG LYS 24 12.820 -12.519 9.030 838 2HG LYS 24 2HG LYS 24 13.219 -13.554 10.390 839 1HD LYS 24 1HD LYS 24 11.931 -15.385 9.549 840 2HD LYS 24 2HD LYS 24 11.090 -14.378 8.362 841 1HE LYS 24 1HE LYS 24 14.083 -14.932 8.280 842 2HE LYS 24 2HE LYS 24 12.858 -15.862 7.402 843 1HZ LYS 24 1HZ LYS 24 12.164 -13.796 6.342 844 2HZ LYS 24 2HZ LYS 24 13.412 -13.005 7.065 845 3HZ LYS 24 3HZ LYS 24 13.724 -14.209 5.987 846 H VAL 25 H VAL 25 9.835 -15.551 12.892 847 HA VAL 25 HA VAL 25 11.818 -15.260 14.933 848 HB VAL 25 HB VAL 25 11.032 -17.440 15.745 849 1HG1 VAL 25 1HG1 VAL 25 8.738 -15.629 14.881 850 2HG1 VAL 25 2HG1 VAL 25 8.738 -16.783 16.226 851 3HG1 VAL 25 3HG1 VAL 25 9.796 -15.362 16.284 852 1HG2 VAL 25 1HG2 VAL 25 9.272 -17.534 13.249 853 2HG2 VAL 25 2HG2 VAL 25 10.640 -18.613 13.596 854 3HG2 VAL 25 3HG2 VAL 25 9.207 -18.639 14.630 Start of MODEL 14 1 1H GLU 1 1H GLU 1 4.250 11.138 4.854 2 2H GLU 1 2H GLU 1 5.693 11.227 5.652 3 3H GLU 1 3H GLU 1 4.950 12.619 5.150 4 HA GLU 1 HA GLU 1 3.864 10.737 7.119 5 1HB GLU 1 1HB GLU 1 5.276 13.416 7.466 6 2HB GLU 1 2HB GLU 1 4.283 12.683 8.732 7 1HG GLU 1 1HG GLU 1 6.736 11.357 7.479 8 2HG GLU 1 2HG GLU 1 6.721 12.248 9.002 9 H ASN 2 H ASN 2 3.622 14.149 6.150 10 HA ASN 2 HA ASN 2 1.934 15.625 6.094 11 1HB ASN 2 1HB ASN 2 1.972 14.395 3.958 12 2HB ASN 2 2HB ASN 2 0.646 13.381 4.512 13 1HD2 ASN 2 1HD2 ASN 2 0.132 14.596 2.233 14 2HD2 ASN 2 2HD2 ASN 2 -0.856 16.047 2.462 15 H ARG 3 H ARG 3 -0.050 12.673 6.526 16 HA ARG 3 HA ARG 3 -1.338 13.945 8.889 17 1HB ARG 3 1HB ARG 3 -2.796 13.952 6.694 18 2HB ARG 3 2HB ARG 3 -3.004 12.233 7.051 19 1HG ARG 3 1HG ARG 3 -3.459 13.442 9.547 20 2HG ARG 3 2HG ARG 3 -4.046 14.669 8.425 21 1HD ARG 3 1HD ARG 3 -5.879 13.291 9.011 22 2HD ARG 3 2HD ARG 3 -5.462 12.817 7.350 23 HE ARG 3 HE ARG 3 -3.960 11.099 8.906 24 1HH1 ARG 3 1HH1 ARG 3 -7.446 11.869 9.017 25 2HH1 ARG 3 2HH1 ARG 3 -7.813 10.318 9.773 26 1HH2 ARG 3 1HH2 ARG 3 -4.651 8.999 9.653 27 2HH2 ARG 3 2HH2 ARG 3 -6.359 8.813 10.057 28 H GLU 4 H GLU 4 0.843 12.040 8.527 29 HA GLU 4 HA GLU 4 1.774 10.502 9.842 30 1HB GLU 4 1HB GLU 4 -0.862 10.230 11.342 31 2HB GLU 4 2HB GLU 4 0.721 9.613 11.807 32 1HG GLU 4 1HG GLU 4 1.559 12.051 11.722 33 2HG GLU 4 2HG GLU 4 -0.138 12.533 11.598 34 H VAL 5 H VAL 5 -1.534 9.337 9.240 35 HA VAL 5 HA VAL 5 -0.830 7.277 7.444 36 HB VAL 5 HB VAL 5 0.239 6.089 9.203 37 1HG1 VAL 5 1HG1 VAL 5 -0.840 5.448 11.292 38 2HG1 VAL 5 2HG1 VAL 5 -0.654 7.202 11.188 39 3HG1 VAL 5 3HG1 VAL 5 -2.242 6.459 10.921 40 1HG2 VAL 5 1HG2 VAL 5 -2.510 4.848 8.890 41 2HG2 VAL 5 2HG2 VAL 5 -1.171 4.723 7.720 42 3HG2 VAL 5 3HG2 VAL 5 -1.004 4.033 9.341 43 HA PRO 6 HA PRO 6 -5.185 8.208 7.270 44 1HB PRO 6 1HB PRO 6 -5.870 7.190 4.849 45 2HB PRO 6 2HB PRO 6 -4.709 8.539 5.016 46 1HG PRO 6 1HG PRO 6 -4.055 5.581 4.750 47 2HG PRO 6 2HG PRO 6 -3.426 6.926 3.754 48 1HD PRO 6 1HD PRO 6 -2.062 5.963 5.906 49 2HD PRO 6 2HD PRO 6 -2.071 7.714 5.519 50 HA PRO 7 HA PRO 7 -7.665 4.731 8.762 51 1HB PRO 7 1HB PRO 7 -9.588 5.572 6.572 52 2HB PRO 7 2HB PRO 7 -9.952 5.123 8.264 53 1HG PRO 7 1HG PRO 7 -9.850 7.732 7.576 54 2HG PRO 7 2HG PRO 7 -9.040 7.170 9.066 55 1HD PRO 7 1HD PRO 7 -7.791 7.751 6.372 56 2HD PRO 7 2HD PRO 7 -7.250 8.231 8.004 57 H GLY 8 H GLY 8 -7.370 5.175 5.255 58 1HA GLY 8 1HA GLY 8 -7.886 2.771 4.079 59 2HA GLY 8 2HA GLY 8 -6.514 3.793 3.643 60 H PHE 9 H PHE 9 -4.988 3.458 6.112 61 HA PHE 9 HA PHE 9 -3.629 0.962 5.526 62 1HB PHE 9 1HB PHE 9 -2.371 2.791 6.423 63 2HB PHE 9 2HB PHE 9 -3.473 2.970 7.788 64 HD1 PHE 9 1HD PHE 9 -2.872 2.032 9.858 65 HD2 PHE 9 2HD PHE 9 -1.280 0.334 6.226 66 HE1 PHE 9 1HE PHE 9 -1.662 0.330 11.181 67 HE2 PHE 9 2HE PHE 9 -0.099 -1.398 7.563 68 HZ PHE 9 HZ PHE 9 -0.314 -1.417 10.039 69 H THR 10 H THR 10 -5.613 1.996 8.366 70 HA THR 10 HA THR 10 -5.667 -0.523 9.650 71 HB THR 10 HB THR 10 -7.808 1.652 9.716 72 HG1 THR 10 1HG THR 10 -5.397 1.382 11.185 73 1HG2 THR 10 1HG2 THR 10 -8.054 0.891 12.069 74 2HG2 THR 10 2HG2 THR 10 -8.445 -0.415 10.932 75 3HG2 THR 10 3HG2 THR 10 -6.882 -0.410 11.781 76 H ALA 11 H ALA 11 -7.911 0.929 7.278 77 HA ALA 11 HA ALA 11 -9.791 -1.196 7.122 78 1HB ALA 11 1HB ALA 11 -10.142 1.088 6.243 79 2HB ALA 11 2HB ALA 11 -8.951 0.776 4.964 80 3HB ALA 11 3HB ALA 11 -10.462 -0.158 5.024 81 H LEU 12 H LEU 12 -6.883 -0.577 5.052 82 HA LEU 12 HA LEU 12 -6.911 -2.926 3.520 83 1HB LEU 12 1HB LEU 12 -5.294 -1.302 2.963 84 2HB LEU 12 2HB LEU 12 -4.695 -1.191 4.613 85 HG LEU 12 HG LEU 12 -3.697 -3.458 4.456 86 1HD1 LEU 12 1HD1 LEU 12 -4.402 -3.288 1.499 87 2HD1 LEU 12 2HD1 LEU 12 -3.478 -4.562 2.323 88 3HD1 LEU 12 3HD1 LEU 12 -5.209 -4.380 2.645 89 1HD2 LEU 12 1HD2 LEU 12 -2.450 -1.361 3.940 90 2HD2 LEU 12 2HD2 LEU 12 -1.825 -2.840 3.182 91 3HD2 LEU 12 3HD2 LEU 12 -2.753 -1.680 2.214 92 H ILE 13 H ILE 13 -5.231 -2.492 6.711 93 HA ILE 13 HA ILE 13 -4.471 -5.242 6.799 94 HB ILE 13 HB ILE 13 -4.715 -3.244 9.057 95 1HG1 ILE 13 1HG1 ILE 13 -3.113 -2.506 7.321 96 2HG1 ILE 13 2HG1 ILE 13 -2.329 -2.936 8.835 97 1HG2 ILE 13 1HG2 ILE 13 -4.660 -5.414 10.058 98 2HG2 ILE 13 2HG2 ILE 13 -3.435 -6.008 8.925 99 3HG2 ILE 13 3HG2 ILE 13 -3.016 -4.794 10.146 100 1HD1 ILE 13 1HD1 ILE 13 -1.602 -5.104 7.847 101 2HD1 ILE 13 2HD1 ILE 13 -2.382 -4.651 6.312 102 3HD1 ILE 13 3HD1 ILE 13 -1.025 -3.708 6.932 103 H LYS 14 H LYS 14 -7.411 -3.674 8.118 104 HA LYS 14 HA LYS 14 -8.516 -6.015 9.359 105 1HB LYS 14 1HB LYS 14 -9.402 -3.732 9.611 106 2HB LYS 14 2HB LYS 14 -9.905 -3.735 7.913 107 1HG LYS 14 1HG LYS 14 -11.486 -5.571 8.342 108 2HG LYS 14 2HG LYS 14 -10.850 -5.769 9.981 109 1HD LYS 14 1HD LYS 14 -12.961 -4.581 10.071 110 2HD LYS 14 2HD LYS 14 -11.657 -3.501 10.590 111 1HE LYS 14 1HE LYS 14 -11.663 -2.387 8.387 112 2HE LYS 14 2HE LYS 14 -12.857 -3.547 7.775 113 1HZ LYS 14 1HZ LYS 14 -14.391 -2.713 9.407 114 2HZ LYS 14 2HZ LYS 14 -13.274 -1.647 9.977 115 3HZ LYS 14 3HZ LYS 14 -13.854 -1.490 8.444 116 H THR 15 H THR 15 -8.756 -4.826 5.983 117 HA THR 15 HA THR 15 -10.300 -7.038 5.032 118 HB THR 15 HB THR 15 -8.419 -5.368 3.331 119 HG1 THR 15 1HG THR 15 -9.763 -3.991 4.565 120 1HG2 THR 15 1HG2 THR 15 -9.645 -7.349 2.268 121 2HG2 THR 15 2HG2 THR 15 -11.162 -6.593 2.772 122 3HG2 THR 15 3HG2 THR 15 -10.106 -5.758 1.620 123 H LEU 16 H LEU 16 -6.781 -6.562 5.284 124 HA LEU 16 HA LEU 16 -5.925 -8.941 3.972 125 1HB LEU 16 1HB LEU 16 -4.551 -6.939 4.691 126 2HB LEU 16 2HB LEU 16 -4.567 -7.560 6.334 127 HG LEU 16 HG LEU 16 -3.533 -9.210 3.991 128 1HD1 LEU 16 1HD1 LEU 16 -1.982 -7.300 5.791 129 2HD1 LEU 16 2HD1 LEU 16 -1.279 -8.399 4.585 130 3HD1 LEU 16 3HD1 LEU 16 -2.311 -7.062 4.061 131 1HD2 LEU 16 1HD2 LEU 16 -2.145 -10.266 5.805 132 2HD2 LEU 16 2HD2 LEU 16 -3.040 -9.318 7.008 133 3HD2 LEU 16 3HD2 LEU 16 -3.866 -10.550 6.031 134 H ARG 17 H ARG 17 -6.441 -8.304 7.488 135 HA ARG 17 HA ARG 17 -6.137 -10.946 8.408 136 1HB ARG 17 1HB ARG 17 -7.819 -8.621 9.398 137 2HB ARG 17 2HB ARG 17 -7.732 -10.164 10.260 138 1HG ARG 17 1HG ARG 17 -5.340 -10.003 10.528 139 2HG ARG 17 2HG ARG 17 -5.251 -8.537 9.539 140 1HD ARG 17 1HD ARG 17 -6.867 -8.748 12.112 141 2HD ARG 17 2HD ARG 17 -5.193 -8.153 12.034 142 HE ARG 17 HE ARG 17 -6.580 -6.689 10.114 143 1HH1 ARG 17 1HH1 ARG 17 -6.781 -7.093 13.603 144 2HH1 ARG 17 2HH1 ARG 17 -7.254 -5.437 13.910 145 1HH2 ARG 17 1HH2 ARG 17 -7.205 -4.539 10.513 146 2HH2 ARG 17 2HH2 ARG 17 -7.489 -3.983 12.143 147 H LYS 18 H LYS 18 -9.156 -9.350 7.245 148 HA LYS 18 HA LYS 18 -10.810 -11.619 7.495 149 1HB LYS 18 1HB LYS 18 -11.630 -9.344 7.071 150 2HB LYS 18 2HB LYS 18 -10.932 -9.370 5.450 151 1HG LYS 18 1HG LYS 18 -13.328 -9.781 5.371 152 2HG LYS 18 2HG LYS 18 -12.444 -11.189 4.780 153 1HD LYS 18 1HD LYS 18 -12.845 -12.414 6.845 154 2HD LYS 18 2HD LYS 18 -13.433 -10.950 7.658 155 1HE LYS 18 1HE LYS 18 -15.316 -12.373 7.051 156 2HE LYS 18 2HE LYS 18 -15.380 -10.881 6.099 157 1HZ LYS 18 1HZ LYS 18 -14.318 -13.466 5.166 158 2HZ LYS 18 2HZ LYS 18 -15.791 -12.834 4.774 159 3HZ LYS 18 3HZ LYS 18 -14.406 -12.096 4.267 160 H CYS 19 H CYS 19 -9.038 -10.567 4.526 161 HA CYS 19 HA CYS 19 -9.615 -12.721 2.838 162 1HB CYS 19 1HB CYS 19 -8.513 -10.746 2.040 163 2HB CYS 19 2HB CYS 19 -7.121 -11.032 3.089 164 H LYS 20 H LYS 20 -7.021 -12.505 5.288 165 HA LYS 20 HA LYS 20 -6.121 -15.285 4.801 166 1HB LYS 20 1HB LYS 20 -5.207 -12.967 6.522 167 2HB LYS 20 2HB LYS 20 -4.622 -14.593 6.835 168 1HG LYS 20 1HG LYS 20 -3.054 -13.391 5.455 169 2HG LYS 20 2HG LYS 20 -3.684 -14.831 4.642 170 1HD LYS 20 1HD LYS 20 -5.125 -13.470 3.216 171 2HD LYS 20 2HD LYS 20 -4.748 -12.013 4.150 172 1HE LYS 20 1HE LYS 20 -3.490 -11.997 2.066 173 2HE LYS 20 2HE LYS 20 -2.370 -12.168 3.427 174 1HZ LYS 20 1HZ LYS 20 -2.293 -14.517 2.980 175 2HZ LYS 20 2HZ LYS 20 -3.361 -14.363 1.736 176 3HZ LYS 20 3HZ LYS 20 -1.868 -13.672 1.632 177 H ILE 21 H ILE 21 -8.854 -14.275 6.246 178 HA ILE 21 HA ILE 21 -10.276 -15.056 7.745 179 HB ILE 21 HB ILE 21 -8.464 -17.442 8.250 180 1HG1 ILE 21 1HG1 ILE 21 -8.848 -17.401 5.868 181 2HG1 ILE 21 2HG1 ILE 21 -9.834 -18.654 6.606 182 1HG2 ILE 21 1HG2 ILE 21 -11.430 -16.973 8.717 183 2HG2 ILE 21 2HG2 ILE 21 -10.604 -18.539 8.864 184 3HG2 ILE 21 3HG2 ILE 21 -10.170 -17.208 9.940 185 1HD1 ILE 21 1HD1 ILE 21 -11.088 -17.477 4.879 186 2HD1 ILE 21 2HD1 ILE 21 -11.836 -17.158 6.453 187 3HD1 ILE 21 3HD1 ILE 21 -10.821 -15.922 5.673 188 H ILE 22 H ILE 22 -7.031 -15.679 9.087 189 HA ILE 22 HA ILE 22 -7.814 -14.401 11.662 190 HB ILE 22 HB ILE 22 -5.661 -15.168 12.487 191 1HG1 ILE 22 1HG1 ILE 22 -5.272 -16.535 9.778 192 2HG1 ILE 22 2HG1 ILE 22 -4.346 -15.150 10.376 193 1HG2 ILE 22 1HG2 ILE 22 -7.756 -16.550 12.598 194 2HG2 ILE 22 2HG2 ILE 22 -7.207 -17.435 11.160 195 3HG2 ILE 22 3HG2 ILE 22 -6.275 -17.503 12.671 196 1HD1 ILE 22 1HD1 ILE 22 -4.354 -17.946 11.554 197 2HD1 ILE 22 2HD1 ILE 22 -3.038 -17.112 10.719 198 3HD1 ILE 22 3HD1 ILE 22 -3.573 -16.534 12.309 199 1H ASN 1 1H ASN 1 5.579 7.645 -10.149 200 2H ASN 1 2H ASN 1 5.088 8.029 -8.624 201 3H ASN 1 3H ASN 1 5.814 6.575 -8.920 202 HA ASN 1 HA ASN 1 7.861 7.618 -9.470 203 1HB ASN 1 1HB ASN 1 7.077 9.636 -10.489 204 2HB ASN 1 2HB ASN 1 6.287 10.163 -9.000 205 1HD2 ASN 1 1HD2 ASN 1 9.524 9.545 -10.458 206 2HD2 ASN 1 2HD2 ASN 1 10.348 10.639 -9.359 207 H LEU 2 H LEU 2 8.982 6.781 -7.826 208 HA LEU 2 HA LEU 2 8.167 6.663 -5.164 209 1HB LEU 2 1HB LEU 2 9.751 5.138 -6.259 210 2HB LEU 2 2HB LEU 2 10.951 6.433 -6.361 211 HG LEU 2 HG LEU 2 11.102 6.502 -3.882 212 1HD1 LEU 2 1HD1 LEU 2 10.061 4.639 -2.570 213 2HD1 LEU 2 2HD1 LEU 2 8.857 5.757 -3.215 214 3HD1 LEU 2 3HD1 LEU 2 9.117 4.182 -4.003 215 1HD2 LEU 2 1HD2 LEU 2 12.599 5.051 -5.200 216 2HD2 LEU 2 2HD2 LEU 2 12.240 4.344 -3.615 217 3HD2 LEU 2 3HD2 LEU 2 11.432 3.717 -5.067 218 H VAL 3 H VAL 3 10.228 9.139 -6.688 219 HA VAL 3 HA VAL 3 11.340 10.229 -4.315 220 HB VAL 3 HB VAL 3 10.794 11.605 -6.980 221 1HG1 VAL 3 1HG1 VAL 3 12.697 12.318 -4.705 222 2HG1 VAL 3 2HG1 VAL 3 12.671 13.090 -6.303 223 3HG1 VAL 3 3HG1 VAL 3 11.285 13.263 -5.224 224 1HG2 VAL 3 1HG2 VAL 3 13.170 11.046 -7.453 225 2HG2 VAL 3 2HG2 VAL 3 13.247 10.114 -5.944 226 3HG2 VAL 3 3HG2 VAL 3 12.193 9.587 -7.272 227 H SER 4 H SER 4 8.511 11.397 -6.184 228 HA SER 4 HA SER 4 7.559 13.181 -4.090 229 1HB SER 4 1HB SER 4 5.497 13.265 -5.413 230 2HB SER 4 2HB SER 4 6.932 13.540 -6.416 231 HG SER 4 HG SER 4 6.790 11.370 -7.108 232 H GLY 5 H GLY 5 6.883 9.784 -5.019 233 1HA GLY 5 1HA GLY 5 6.582 8.025 -3.588 234 2HA GLY 5 2HA GLY 5 6.597 9.132 -2.213 235 H LEU 6 H LEU 6 4.487 10.678 -2.451 236 HA LEU 6 HA LEU 6 2.399 9.361 -1.356 237 1HB LEU 6 1HB LEU 6 2.532 11.758 -1.374 238 2HB LEU 6 2HB LEU 6 2.325 11.827 -3.127 239 HG LEU 6 HG LEU 6 0.007 11.068 -2.960 240 1HD1 LEU 6 1HD1 LEU 6 -1.061 10.753 -0.736 241 2HD1 LEU 6 2HD1 LEU 6 0.128 9.504 -1.055 242 3HD1 LEU 6 3HD1 LEU 6 0.539 10.840 0.031 243 1HD2 LEU 6 1HD2 LEU 6 0.627 13.262 -0.946 244 2HD2 LEU 6 2HD2 LEU 6 0.483 13.464 -2.703 245 3HD2 LEU 6 3HD2 LEU 6 -0.933 12.983 -1.752 246 H ILE 7 H ILE 7 2.207 10.257 -4.855 247 HA ILE 7 HA ILE 7 -0.150 8.786 -5.302 248 HB ILE 7 HB ILE 7 0.204 9.000 -7.618 249 1HG1 ILE 7 1HG1 ILE 7 2.496 8.343 -7.972 250 2HG1 ILE 7 2HG1 ILE 7 2.150 9.900 -8.703 251 1HG2 ILE 7 1HG2 ILE 7 1.157 11.520 -6.205 252 2HG2 ILE 7 2HG2 ILE 7 0.437 11.414 -7.821 253 3HG2 ILE 7 3HG2 ILE 7 -0.516 10.969 -6.397 254 1HD1 ILE 7 1HD1 ILE 7 3.311 11.050 -6.807 255 2HD1 ILE 7 2HD1 ILE 7 3.764 9.456 -6.152 256 3HD1 ILE 7 3HD1 ILE 7 4.337 9.956 -7.739 257 H GLU 8 H GLU 8 3.203 7.639 -5.411 258 HA GLU 8 HA GLU 8 2.630 5.122 -6.691 259 1HB GLU 8 1HB GLU 8 4.871 6.387 -6.515 260 2HB GLU 8 2HB GLU 8 4.969 5.812 -4.853 261 1HG GLU 8 1HG GLU 8 6.235 4.280 -6.160 262 2HG GLU 8 2HG GLU 8 4.735 3.424 -5.781 263 H ALA 9 H ALA 9 3.257 6.077 -3.303 264 HA ALA 9 HA ALA 9 2.764 3.540 -2.101 265 1HB ALA 9 1HB ALA 9 2.467 6.324 -0.896 266 2HB ALA 9 2HB ALA 9 2.700 4.790 -0.023 267 3HB ALA 9 3HB ALA 9 3.991 5.425 -1.057 268 H ARG 10 H ARG 10 0.595 6.334 -2.654 269 HA ARG 10 HA ARG 10 -1.754 5.230 -1.490 270 1HB ARG 10 1HB ARG 10 -1.411 7.609 -1.976 271 2HB ARG 10 2HB ARG 10 -1.471 7.282 -3.717 272 1HG ARG 10 1HG ARG 10 -3.794 6.481 -3.507 273 2HG ARG 10 2HG ARG 10 -3.728 6.682 -1.748 274 1HD ARG 10 1HD ARG 10 -3.346 8.937 -3.775 275 2HD ARG 10 2HD ARG 10 -4.894 8.561 -3.031 276 HE ARG 10 HE ARG 10 -2.687 10.020 -1.858 277 1HH1 ARG 10 1HH1 ARG 10 -5.367 7.922 -1.000 278 2HH1 ARG 10 2HH1 ARG 10 -5.618 8.654 0.569 279 1HH2 ARG 10 1HH2 ARG 10 -3.056 11.030 0.167 280 2HH2 ARG 10 2HH2 ARG 10 -4.281 10.384 1.225 281 H LYS 11 H LYS 11 -0.623 5.191 -4.945 282 HA LYS 11 HA LYS 11 -2.766 3.657 -5.975 283 1HB LYS 11 1HB LYS 11 -1.130 4.862 -7.341 284 2HB LYS 11 2HB LYS 11 0.150 3.741 -6.845 285 1HG LYS 11 1HG LYS 11 -1.083 1.866 -7.927 286 2HG LYS 11 2HG LYS 11 -2.392 2.987 -8.354 287 1HD LYS 11 1HD LYS 11 -0.791 4.316 -9.733 288 2HD LYS 11 2HD LYS 11 0.525 3.241 -9.241 289 1HE LYS 11 1HE LYS 11 -0.225 2.606 -11.466 290 2HE LYS 11 2HE LYS 11 -0.640 1.315 -10.327 291 1HZ LYS 11 1HZ LYS 11 -2.434 1.833 -11.825 292 2HZ LYS 11 2HZ LYS 11 -2.872 2.173 -10.274 293 3HZ LYS 11 3HZ LYS 11 -2.477 3.396 -11.305 294 H TYR 12 H TYR 12 0.410 2.538 -4.668 295 HA TYR 12 HA TYR 12 -0.076 -0.241 -4.899 296 1HB TYR 12 1HB TYR 12 2.113 0.677 -4.432 297 2HB TYR 12 2HB TYR 12 1.569 1.333 -2.892 298 HD1 TYR 12 1HD TYR 12 2.299 -1.825 -4.739 299 HD2 TYR 12 2HD TYR 12 1.344 -0.059 -0.931 300 HE1 TYR 12 1HE TYR 12 2.737 -3.995 -3.621 301 HE2 TYR 12 2HE TYR 12 1.713 -2.247 0.176 302 HH TYR 12 HH TYR 12 2.758 -5.131 -1.655 303 H LEU 13 H LEU 13 -0.677 1.863 -2.045 304 HA LEU 13 HA LEU 13 -1.915 0.029 -0.326 305 1HB LEU 13 1HB LEU 13 -1.304 2.231 0.404 306 2HB LEU 13 2HB LEU 13 -2.330 2.995 -0.806 307 HG LEU 13 HG LEU 13 -4.361 2.262 0.345 308 1HD1 LEU 13 1HD1 LEU 13 -4.172 1.262 2.635 309 2HD1 LEU 13 2HD1 LEU 13 -3.650 0.170 1.351 310 3HD1 LEU 13 3HD1 LEU 13 -2.436 1.006 2.355 311 1HD2 LEU 13 1HD2 LEU 13 -3.306 4.413 0.938 312 2HD2 LEU 13 2HD2 LEU 13 -4.130 3.684 2.328 313 3HD2 LEU 13 3HD2 LEU 13 -2.362 3.602 2.205 314 H GLU 14 H GLU 14 -3.552 2.179 -2.688 315 HA GLU 14 HA GLU 14 -6.178 1.232 -2.451 316 1HB GLU 14 1HB GLU 14 -5.499 3.255 -3.645 317 2HB GLU 14 2HB GLU 14 -4.659 2.297 -4.869 318 1HG GLU 14 1HG GLU 14 -6.827 1.273 -5.557 319 2HG GLU 14 2HG GLU 14 -7.662 2.248 -4.335 320 H GLN 15 H GLN 15 -3.710 0.139 -4.844 321 HA GLN 15 HA GLN 15 -5.285 -1.847 -6.026 322 1HB GLN 15 1HB GLN 15 -3.279 -0.960 -7.046 323 2HB GLN 15 2HB GLN 15 -2.268 -1.658 -5.773 324 1HG GLN 15 1HG GLN 15 -2.213 -2.987 -7.855 325 2HG GLN 15 2HG GLN 15 -2.831 -3.938 -6.508 326 1HE2 GLN 15 1HE2 GLN 15 -5.168 -4.448 -6.467 327 2HE2 GLN 15 2HE2 GLN 15 -6.023 -4.435 -8.010 328 H LEU 16 H LEU 16 -2.914 -2.196 -3.349 329 HA LEU 16 HA LEU 16 -3.260 -4.997 -2.995 330 1HB LEU 16 1HB LEU 16 -1.371 -3.656 -2.106 331 2HB LEU 16 2HB LEU 16 -2.477 -2.839 -0.998 332 HG LEU 16 HG LEU 16 -2.961 -5.049 0.090 333 1HD1 LEU 16 1HD1 LEU 16 -2.411 -6.621 -1.722 334 2HD1 LEU 16 2HD1 LEU 16 -0.726 -6.051 -1.732 335 3HD1 LEU 16 3HD1 LEU 16 -1.371 -6.927 -0.329 336 1HD2 LEU 16 1HD2 LEU 16 -1.235 -3.466 0.944 337 2HD2 LEU 16 2HD2 LEU 16 -0.843 -5.157 1.304 338 3HD2 LEU 16 3HD2 LEU 16 -0.010 -4.313 -0.016 339 H HIS 17 H HIS 17 -4.824 -2.220 -1.305 340 HA HIS 17 HA HIS 17 -6.482 -3.752 0.386 341 1HB HIS 17 1HB HIS 17 -5.966 -1.329 0.586 342 2HB HIS 17 2HB HIS 17 -7.053 -1.001 -0.767 343 HD1 HIS 17 1HD HIS 17 -9.159 -3.364 0.663 344 HD2 HIS 17 2HD HIS 17 -7.621 0.304 2.058 345 HE1 HIS 17 1HE HIS 17 -10.791 -2.500 2.431 346 H ARG 18 H ARG 18 -7.255 -2.463 -2.924 347 HA ARG 18 HA ARG 18 -9.880 -3.647 -2.851 348 1HB ARG 18 1HB ARG 18 -10.201 -2.973 -5.056 349 2HB ARG 18 2HB ARG 18 -9.296 -1.706 -4.220 350 1HG ARG 18 1HG ARG 18 -7.198 -2.688 -5.266 351 2HG ARG 18 2HG ARG 18 -8.235 -3.725 -6.260 352 1HD ARG 18 1HD ARG 18 -9.348 -1.712 -7.191 353 2HD ARG 18 2HD ARG 18 -8.371 -0.692 -6.108 354 HE ARG 18 HE ARG 18 -6.812 -2.441 -7.869 355 1HH1 ARG 18 1HH1 ARG 18 -8.348 0.713 -7.659 356 2HH1 ARG 18 2HH1 ARG 18 -7.083 1.535 -8.535 357 1HH2 ARG 18 1HH2 ARG 18 -5.331 -1.458 -9.243 358 2HH2 ARG 18 2HH2 ARG 18 -5.475 0.250 -9.611 359 H LYS 19 H LYS 19 -6.726 -4.889 -4.084 360 HA LYS 19 HA LYS 19 -7.735 -7.309 -5.191 361 1HB LYS 19 1HB LYS 19 -5.430 -6.522 -5.460 362 2HB LYS 19 2HB LYS 19 -5.106 -6.802 -3.741 363 1HG LYS 19 1HG LYS 19 -5.535 -9.229 -4.049 364 2HG LYS 19 2HG LYS 19 -5.932 -8.944 -5.754 365 1HD LYS 19 1HD LYS 19 -3.633 -8.072 -6.140 366 2HD LYS 19 2HD LYS 19 -3.243 -8.341 -4.428 367 1HE LYS 19 1HE LYS 19 -3.685 -10.777 -4.711 368 2HE LYS 19 2HE LYS 19 -4.082 -10.508 -6.419 369 1HZ LYS 19 1HZ LYS 19 -1.483 -9.961 -5.160 370 2HZ LYS 19 2HZ LYS 19 -1.835 -11.242 -6.136 371 3HZ LYS 19 3HZ LYS 19 -1.853 -9.711 -6.746 372 H LEU 20 H LEU 20 -6.677 -6.617 -1.813 373 HA LEU 20 HA LEU 20 -7.515 -9.144 -0.727 374 1HB LEU 20 1HB LEU 20 -6.861 -6.427 0.377 375 2HB LEU 20 2HB LEU 20 -7.592 -7.638 1.429 376 HG LEU 20 HG LEU 20 -5.834 -9.127 1.309 377 1HD1 LEU 20 1HD1 LEU 20 -3.840 -8.908 -0.139 378 2HD1 LEU 20 2HD1 LEU 20 -5.291 -9.222 -1.088 379 3HD1 LEU 20 3HD1 LEU 20 -4.612 -7.583 -1.019 380 1HD2 LEU 20 1HD2 LEU 20 -3.931 -7.776 2.047 381 2HD2 LEU 20 2HD2 LEU 20 -4.561 -6.369 1.168 382 3HD2 LEU 20 3HD2 LEU 20 -5.438 -6.990 2.574 383 H LYS 21 H LYS 21 -9.352 -6.067 -1.123 384 HA LYS 21 HA LYS 21 -11.752 -7.022 0.075 385 1HB LYS 21 1HB LYS 21 -11.229 -4.657 -0.608 386 2HB LYS 21 2HB LYS 21 -11.560 -5.126 -2.289 387 1HG LYS 21 1HG LYS 21 -13.867 -5.784 -1.654 388 2HG LYS 21 2HG LYS 21 -13.522 -5.363 0.036 389 1HD LYS 21 1HD LYS 21 -13.067 -3.010 -0.645 390 2HD LYS 21 2HD LYS 21 -13.411 -3.433 -2.334 391 1HE LYS 21 1HE LYS 21 -15.726 -4.092 -1.698 392 2HE LYS 21 2HE LYS 21 -15.383 -3.676 -0.008 393 1HZ LYS 21 1HZ LYS 21 -16.503 -1.910 -1.146 394 2HZ LYS 21 2HZ LYS 21 -14.990 -1.425 -0.708 395 3HZ LYS 21 3HZ LYS 21 -15.310 -1.811 -2.278 396 H ASN 22 H ASN 22 -10.507 -7.429 -3.257 397 HA ASN 22 HA ASN 22 -12.762 -8.912 -4.223 398 1HB ASN 22 1HB ASN 22 -10.896 -7.708 -5.532 399 2HB ASN 22 2HB ASN 22 -9.933 -9.170 -5.295 400 1HD2 ASN 22 1HD2 ASN 22 -12.355 -11.046 -5.594 401 2HD2 ASN 22 2HD2 ASN 22 -12.696 -10.909 -7.313 402 H CYS 23 H CYS 23 -9.684 -9.954 -2.681 403 HA CYS 23 HA CYS 23 -10.043 -12.775 -2.783 404 1HB CYS 23 1HB CYS 23 -7.983 -11.850 -1.921 405 2HB CYS 23 2HB CYS 23 -8.848 -10.979 -0.663 406 H LYS 24 H LYS 24 -11.171 -10.469 -0.293 407 HA LYS 24 HA LYS 24 -13.090 -10.283 0.819 408 1HB LYS 24 1HB LYS 24 -13.937 -10.750 -1.519 409 2HB LYS 24 2HB LYS 24 -14.272 -12.406 -1.011 410 1HG LYS 24 1HG LYS 24 -15.777 -11.546 0.780 411 2HG LYS 24 2HG LYS 24 -15.394 -9.884 0.276 412 1HD LYS 24 1HD LYS 24 -16.337 -10.337 -1.975 413 2HD LYS 24 2HD LYS 24 -16.644 -12.018 -1.521 414 1HE LYS 24 1HE LYS 24 -18.722 -10.760 -1.362 415 2HE LYS 24 2HE LYS 24 -18.218 -11.256 0.261 416 1HZ LYS 24 1HZ LYS 24 -17.777 -8.603 -0.933 417 2HZ LYS 24 2HZ LYS 24 -18.938 -8.973 0.176 418 3HZ LYS 24 3HZ LYS 24 -17.346 -9.055 0.591 419 H VAL 25 H VAL 25 -12.815 -13.823 0.269 420 HA VAL 25 HA VAL 25 -14.429 -14.557 2.458 421 HB VAL 25 HB VAL 25 -13.948 -15.953 0.504 422 1HG1 VAL 25 1HG1 VAL 25 -11.247 -16.603 1.765 423 2HG1 VAL 25 2HG1 VAL 25 -11.936 -17.263 0.276 424 3HG1 VAL 25 3HG1 VAL 25 -11.465 -15.560 0.344 425 1HG2 VAL 25 1HG2 VAL 25 -14.876 -16.951 2.569 426 2HG2 VAL 25 2HG2 VAL 25 -13.873 -18.098 1.664 427 3HG2 VAL 25 3HG2 VAL 25 -13.232 -17.331 3.128 428 1H GLU 1 1H GLU 1 7.144 12.622 -1.572 429 2H GLU 1 2H GLU 1 8.727 12.738 -1.988 430 3H GLU 1 3H GLU 1 8.027 13.952 -1.113 431 HA GLU 1 HA GLU 1 8.551 11.187 -0.309 432 1HB GLU 1 1HB GLU 1 10.172 12.075 1.261 433 2HB GLU 1 2HB GLU 1 10.553 12.547 -0.401 434 1HG GLU 1 1HG GLU 1 9.588 14.818 0.027 435 2HG GLU 1 2HG GLU 1 9.231 14.344 1.699 436 H ASN 2 H ASN 2 6.786 14.136 0.564 437 HA ASN 2 HA ASN 2 6.200 13.176 3.242 438 1HB ASN 2 1HB ASN 2 6.472 15.578 2.628 439 2HB ASN 2 2HB ASN 2 4.943 15.496 1.736 440 1HD2 ASN 2 1HD2 ASN 2 3.976 17.083 3.173 441 2HD2 ASN 2 2HD2 ASN 2 3.582 16.660 4.831 442 H ARG 3 H ARG 3 5.435 11.098 2.172 443 HA ARG 3 HA ARG 3 2.765 11.026 1.037 444 1HB ARG 3 1HB ARG 3 3.095 8.513 1.191 445 2HB ARG 3 2HB ARG 3 4.208 9.449 0.188 446 1HG ARG 3 1HG ARG 3 5.965 9.310 1.860 447 2HG ARG 3 2HG ARG 3 4.909 8.440 2.972 448 1HD ARG 3 1HD ARG 3 5.428 7.387 0.159 449 2HD ARG 3 2HD ARG 3 6.681 7.247 1.406 450 HE ARG 3 HE ARG 3 4.191 6.327 2.451 451 1HH1 ARG 3 1HH1 ARG 3 6.646 5.248 0.109 452 2HH1 ARG 3 2HH1 ARG 3 6.540 3.576 0.678 453 1HH2 ARG 3 1HH2 ARG 3 4.390 4.171 3.258 454 2HH2 ARG 3 2HH2 ARG 3 5.214 2.980 2.239 455 H GLU 4 H GLU 4 0.874 11.119 2.065 456 HA GLU 4 HA GLU 4 0.257 11.157 4.722 457 1HB GLU 4 1HB GLU 4 -1.390 9.934 2.454 458 2HB GLU 4 2HB GLU 4 -1.979 10.178 4.098 459 1HG GLU 4 1HG GLU 4 -2.816 12.014 3.000 460 2HG GLU 4 2HG GLU 4 -1.417 12.669 3.835 461 H VAL 5 H VAL 5 0.136 8.134 2.804 462 HA VAL 5 HA VAL 5 0.158 6.494 5.231 463 HB VAL 5 HB VAL 5 -1.045 5.766 3.225 464 1HG1 VAL 5 1HG1 VAL 5 0.611 6.524 1.472 465 2HG1 VAL 5 2HG1 VAL 5 1.665 5.184 1.979 466 3HG1 VAL 5 3HG1 VAL 5 0.068 4.847 1.300 467 1HG2 VAL 5 1HG2 VAL 5 -0.253 3.424 3.341 468 2HG2 VAL 5 2HG2 VAL 5 1.228 3.983 4.143 469 3HG2 VAL 5 3HG2 VAL 5 -0.344 4.171 4.945 470 HA PRO 6 HA PRO 6 4.330 7.757 5.426 471 1HB PRO 6 1HB PRO 6 5.173 6.634 7.778 472 2HB PRO 6 2HB PRO 6 3.825 7.802 7.714 473 1HG PRO 6 1HG PRO 6 3.617 4.773 7.703 474 2HG PRO 6 2HG PRO 6 2.815 5.919 8.820 475 1HD PRO 6 1HD PRO 6 1.547 4.985 6.601 476 2HD PRO 6 2HD PRO 6 1.360 6.686 7.110 477 HA PRO 7 HA PRO 7 7.216 4.689 3.755 478 1HB PRO 7 1HB PRO 7 9.537 5.154 5.189 479 2HB PRO 7 2HB PRO 7 8.956 6.158 3.833 480 1HG PRO 7 1HG PRO 7 8.538 6.651 6.792 481 2HG PRO 7 2HG PRO 7 9.114 7.808 5.557 482 1HD PRO 7 1HD PRO 7 6.544 7.819 6.299 483 2HD PRO 7 2HD PRO 7 6.938 7.948 4.566 484 H GLY 8 H GLY 8 6.872 4.998 7.271 485 1HA GLY 8 1HA GLY 8 7.573 2.547 8.315 486 2HA GLY 8 2HA GLY 8 6.140 3.461 8.794 487 H PHE 9 H PHE 9 4.728 3.195 6.217 488 HA PHE 9 HA PHE 9 3.506 0.590 6.590 489 1HB PHE 9 1HB PHE 9 2.183 2.462 5.869 490 2HB PHE 9 2HB PHE 9 3.243 2.743 4.489 491 HD1 PHE 9 1HD PHE 9 2.288 2.259 2.440 492 HD2 PHE 9 2HD PHE 9 1.386 -0.240 5.841 493 HE1 PHE 9 1HE PHE 9 0.755 0.917 1.048 494 HE2 PHE 9 2HE PHE 9 -0.065 -1.648 4.413 495 HZ PHE 9 HZ PHE 9 -0.368 -1.082 1.998 496 H THR 10 H THR 10 5.830 1.948 4.206 497 HA THR 10 HA THR 10 5.932 -0.463 2.579 498 HB THR 10 HB THR 10 7.906 1.844 2.836 499 HG1 THR 10 1HG THR 10 5.923 1.214 0.900 500 1HG2 THR 10 1HG2 THR 10 7.658 -0.382 0.753 501 2HG2 THR 10 2HG2 THR 10 8.677 1.064 0.598 502 3HG2 THR 10 3HG2 THR 10 9.025 -0.128 1.859 503 H ALA 11 H ALA 11 7.856 0.849 5.300 504 HA ALA 11 HA ALA 11 9.659 -1.331 5.616 505 1HB ALA 11 1HB ALA 11 9.838 0.840 6.801 506 2HB ALA 11 2HB ALA 11 8.443 0.389 7.806 507 3HB ALA 11 3HB ALA 11 9.938 -0.558 7.889 508 H LEU 12 H LEU 12 6.371 -0.882 7.057 509 HA LEU 12 HA LEU 12 6.186 -3.386 8.308 510 1HB LEU 12 1HB LEU 12 4.632 -1.581 8.670 511 2HB LEU 12 2HB LEU 12 3.937 -1.761 7.061 512 HG LEU 12 HG LEU 12 4.003 -4.148 8.918 513 1HD1 LEU 12 1HD1 LEU 12 1.812 -3.454 9.838 514 2HD1 LEU 12 2HD1 LEU 12 3.106 -2.347 10.306 515 3HD1 LEU 12 3HD1 LEU 12 1.972 -1.892 9.010 516 1HD2 LEU 12 1HD2 LEU 12 2.005 -3.183 6.809 517 2HD2 LEU 12 2HD2 LEU 12 3.121 -4.551 6.623 518 3HD2 LEU 12 3HD2 LEU 12 1.818 -4.642 7.799 519 H ILE 13 H ILE 13 5.218 -2.593 4.900 520 HA ILE 13 HA ILE 13 4.497 -5.229 4.170 521 HB ILE 13 HB ILE 13 5.301 -2.766 2.704 522 1HG1 ILE 13 1HG1 ILE 13 3.317 -3.398 1.364 523 2HG1 ILE 13 2HG1 ILE 13 3.160 -4.904 2.273 524 1HG2 ILE 13 1HG2 ILE 13 5.483 -5.479 1.331 525 2HG2 ILE 13 2HG2 ILE 13 5.376 -3.914 0.507 526 3HG2 ILE 13 3HG2 ILE 13 6.789 -4.273 1.488 527 1HD1 ILE 13 1HD1 ILE 13 1.584 -3.206 3.055 528 2HD1 ILE 13 2HD1 ILE 13 2.746 -3.549 4.347 529 3HD1 ILE 13 3HD1 ILE 13 2.913 -2.070 3.368 530 H LYS 14 H LYS 14 7.790 -3.779 3.913 531 HA LYS 14 HA LYS 14 9.054 -6.171 2.990 532 1HB LYS 14 1HB LYS 14 10.135 -3.877 4.664 533 2HB LYS 14 2HB LYS 14 11.134 -5.155 3.945 534 1HG LYS 14 1HG LYS 14 10.238 -4.556 1.685 535 2HG LYS 14 2HG LYS 14 9.389 -3.182 2.396 536 1HD LYS 14 1HD LYS 14 12.415 -3.634 2.448 537 2HD LYS 14 2HD LYS 14 11.547 -2.552 1.349 538 1HE LYS 14 1HE LYS 14 10.690 -1.275 3.349 539 2HE LYS 14 2HE LYS 14 11.723 -2.280 4.385 540 1HZ LYS 14 1HZ LYS 14 13.612 -1.504 3.163 541 2HZ LYS 14 2HZ LYS 14 12.662 -0.561 2.203 542 3HZ LYS 14 3HZ LYS 14 12.784 -0.238 3.814 543 H THR 15 H THR 15 8.501 -5.013 6.313 544 HA THR 15 HA THR 15 9.767 -7.199 7.639 545 HB THR 15 HB THR 15 7.529 -5.433 8.695 546 HG1 THR 15 1HG THR 15 9.228 -4.139 8.005 547 1HG2 THR 15 1HG2 THR 15 8.589 -5.859 10.851 548 2HG2 THR 15 2HG2 THR 15 8.145 -7.416 10.125 549 3HG2 THR 15 3HG2 THR 15 9.832 -6.869 10.076 550 H LEU 16 H LEU 16 6.425 -6.788 6.475 551 HA LEU 16 HA LEU 16 5.347 -9.177 7.645 552 1HB LEU 16 1HB LEU 16 4.098 -7.179 6.797 553 2HB LEU 16 2HB LEU 16 4.412 -7.689 5.146 554 HG LEU 16 HG LEU 16 3.033 -9.516 7.161 555 1HD1 LEU 16 1HD1 LEU 16 0.875 -8.647 6.322 556 2HD1 LEU 16 2HD1 LEU 16 1.804 -7.386 7.145 557 3HD1 LEU 16 3HD1 LEU 16 1.737 -7.420 5.369 558 1HD2 LEU 16 1HD2 LEU 16 3.685 -10.627 5.039 559 2HD2 LEU 16 2HD2 LEU 16 1.939 -10.412 5.091 560 3HD2 LEU 16 3HD2 LEU 16 2.931 -9.319 4.108 561 H ARG 17 H ARG 17 6.560 -8.408 4.369 562 HA ARG 17 HA ARG 17 6.533 -10.956 3.183 563 1HB ARG 17 1HB ARG 17 6.934 -8.930 2.004 564 2HB ARG 17 2HB ARG 17 8.408 -8.577 2.884 565 1HG ARG 17 1HG ARG 17 8.159 -11.083 1.167 566 2HG ARG 17 2HG ARG 17 8.494 -9.502 0.474 567 1HD ARG 17 1HD ARG 17 10.627 -10.117 0.716 568 2HD ARG 17 2HD ARG 17 10.425 -9.427 2.337 569 HE ARG 17 HE ARG 17 9.702 -12.185 2.426 570 1HH1 ARG 17 1HH1 ARG 17 12.577 -10.200 2.018 571 2HH1 ARG 17 2HH1 ARG 17 13.682 -11.493 2.430 572 1HH2 ARG 17 1HH2 ARG 17 11.091 -13.847 2.801 573 2HH2 ARG 17 2HH2 ARG 17 12.821 -13.593 2.963 574 H LYS 18 H LYS 18 9.154 -9.498 5.192 575 HA LYS 18 HA LYS 18 10.764 -11.826 5.320 576 1HB LYS 18 1HB LYS 18 11.579 -9.645 5.991 577 2HB LYS 18 2HB LYS 18 10.395 -9.540 7.284 578 1HG LYS 18 1HG LYS 18 12.638 -10.083 8.127 579 2HG LYS 18 2HG LYS 18 11.441 -11.298 8.555 580 1HD LYS 18 1HD LYS 18 13.555 -12.341 7.909 581 2HD LYS 18 2HD LYS 18 12.290 -12.811 6.778 582 1HE LYS 18 1HE LYS 18 13.117 -11.137 5.137 583 2HE LYS 18 2HE LYS 18 14.333 -10.583 6.302 584 1HZ LYS 18 1HZ LYS 18 15.288 -12.774 6.237 585 2HZ LYS 18 2HZ LYS 18 14.149 -13.284 5.164 586 3HZ LYS 18 3HZ LYS 18 15.237 -12.125 4.724 587 H CYS 19 H CYS 19 8.374 -10.729 7.805 588 HA CYS 19 HA CYS 19 8.519 -12.868 9.556 589 1HB CYS 19 1HB CYS 19 7.134 -10.848 10.001 590 2HB CYS 19 2HB CYS 19 6.053 -11.318 8.687 591 H LYS 20 H LYS 20 6.375 -12.681 6.696 592 HA LYS 20 HA LYS 20 5.435 -15.447 7.092 593 1HB LYS 20 1HB LYS 20 4.865 -13.478 4.851 594 2HB LYS 20 2HB LYS 20 3.971 -14.958 5.219 595 1HG LYS 20 1HG LYS 20 4.108 -12.440 6.928 596 2HG LYS 20 2HG LYS 20 2.738 -13.019 5.981 597 1HD LYS 20 1HD LYS 20 2.678 -15.098 7.410 598 2HD LYS 20 2HD LYS 20 3.938 -14.395 8.437 599 1HE LYS 20 1HE LYS 20 1.190 -13.166 7.923 600 2HE LYS 20 2HE LYS 20 1.677 -14.049 9.379 601 1HZ LYS 20 1HZ LYS 20 3.361 -12.376 9.751 602 2HZ LYS 20 2HZ LYS 20 2.862 -11.540 8.423 603 3HZ LYS 20 3HZ LYS 20 1.852 -11.713 9.712 604 H ILE 21 H ILE 21 8.331 -14.438 5.984 605 HA ILE 21 HA ILE 21 9.950 -15.308 4.762 606 HB ILE 21 HB ILE 21 8.220 -17.756 4.260 607 1HG1 ILE 21 1HG1 ILE 21 8.314 -17.428 6.665 608 2HG1 ILE 21 2HG1 ILE 21 9.318 -18.785 6.178 609 1HG2 ILE 21 1HG2 ILE 21 11.219 -17.298 4.111 610 2HG2 ILE 21 2HG2 ILE 21 10.426 -18.887 4.055 611 3HG2 ILE 21 3HG2 ILE 21 10.118 -17.701 2.783 612 1HD1 ILE 21 1HD1 ILE 21 10.421 -17.473 7.908 613 2HD1 ILE 21 2HD1 ILE 21 11.357 -17.366 6.409 614 3HD1 ILE 21 3HD1 ILE 21 10.331 -16.006 6.927 615 H ILE 22 H ILE 22 6.938 -16.106 3.004 616 HA ILE 22 HA ILE 22 8.112 -15.622 0.392 617 HB ILE 22 HB ILE 22 5.192 -15.807 1.226 618 1HG1 ILE 22 1HG1 ILE 22 6.245 -17.842 1.961 619 2HG1 ILE 22 2HG1 ILE 22 5.283 -18.165 0.527 620 1HG2 ILE 22 1HG2 ILE 22 5.375 -14.857 -0.987 621 2HG2 ILE 22 2HG2 ILE 22 6.537 -16.097 -1.491 622 3HG2 ILE 22 3HG2 ILE 22 4.850 -16.534 -1.144 623 1HD1 ILE 22 1HD1 ILE 22 8.323 -17.895 0.618 624 2HD1 ILE 22 2HD1 ILE 22 7.385 -19.380 0.421 625 3HD1 ILE 22 3HD1 ILE 22 7.368 -18.160 -0.861 626 1H ASN 1 1H ASN 1 -10.826 3.602 17.186 627 2H ASN 1 2H ASN 1 -11.452 4.642 18.291 628 3H ASN 1 3H ASN 1 -12.460 3.746 17.352 629 HA ASN 1 HA ASN 1 -12.400 6.023 16.658 630 1HB ASN 1 1HB ASN 1 -10.151 6.509 17.410 631 2HB ASN 1 2HB ASN 1 -9.447 5.467 16.178 632 1HD2 ASN 1 1HD2 ASN 1 -8.663 8.137 16.455 633 2HD2 ASN 1 2HD2 ASN 1 -9.253 9.015 15.040 634 H LEU 2 H LEU 2 -10.146 3.998 14.720 635 HA LEU 2 HA LEU 2 -10.196 3.276 12.604 636 1HB LEU 2 1HB LEU 2 -13.207 3.022 12.934 637 2HB LEU 2 2HB LEU 2 -12.192 2.197 11.758 638 HG LEU 2 HG LEU 2 -12.037 1.818 14.788 639 1HD1 LEU 2 1HD1 LEU 2 -13.196 0.041 12.601 640 2HD1 LEU 2 2HD1 LEU 2 -13.072 -0.364 14.327 641 3HD1 LEU 2 3HD1 LEU 2 -14.128 0.959 13.803 642 1HD2 LEU 2 1HD2 LEU 2 -10.644 -0.167 14.194 643 2HD2 LEU 2 2HD2 LEU 2 -10.642 0.354 12.497 644 3HD2 LEU 2 3HD2 LEU 2 -9.855 1.346 13.747 645 H VAL 3 H VAL 3 -13.119 5.321 12.749 646 HA VAL 3 HA VAL 3 -13.270 5.982 10.054 647 HB VAL 3 HB VAL 3 -14.155 7.609 12.473 648 1HG1 VAL 3 1HG1 VAL 3 -14.201 9.045 10.473 649 2HG1 VAL 3 2HG1 VAL 3 -15.028 7.770 9.552 650 3HG1 VAL 3 3HG1 VAL 3 -15.845 8.574 10.908 651 1HG2 VAL 3 1HG2 VAL 3 -15.622 5.556 10.755 652 2HG2 VAL 3 2HG2 VAL 3 -15.132 5.333 12.448 653 3HG2 VAL 3 3HG2 VAL 3 -16.355 6.536 12.038 654 H SER 4 H SER 4 -11.632 7.926 12.594 655 HA SER 4 HA SER 4 -10.310 9.551 10.441 656 1HB SER 4 1HB SER 4 -9.594 11.057 12.157 657 2HB SER 4 2HB SER 4 -11.344 10.816 12.275 658 HG SER 4 HG SER 4 -10.886 9.270 13.965 659 H GLY 5 H GLY 5 -9.696 7.245 13.031 660 1HA GLY 5 1HA GLY 5 -8.047 5.675 13.272 661 2HA GLY 5 2HA GLY 5 -7.380 6.158 11.709 662 H LEU 6 H LEU 6 -6.389 8.451 11.854 663 HA LEU 6 HA LEU 6 -4.150 9.028 12.226 664 1HB LEU 6 1HB LEU 6 -5.903 10.750 12.631 665 2HB LEU 6 2HB LEU 6 -5.846 10.400 14.348 666 HG LEU 6 HG LEU 6 -3.315 11.043 14.212 667 1HD1 LEU 6 1HD1 LEU 6 -3.078 10.908 11.738 668 2HD1 LEU 6 2HD1 LEU 6 -4.301 12.180 11.551 669 3HD1 LEU 6 3HD1 LEU 6 -2.743 12.545 12.314 670 1HD2 LEU 6 1HD2 LEU 6 -3.841 13.445 14.319 671 2HD2 LEU 6 2HD2 LEU 6 -5.437 13.142 13.600 672 3HD2 LEU 6 3HD2 LEU 6 -5.046 12.497 15.208 673 H ILE 7 H ILE 7 -4.779 9.416 15.676 674 HA ILE 7 HA ILE 7 -2.231 8.348 16.339 675 HB ILE 7 HB ILE 7 -2.899 8.629 18.658 676 1HG1 ILE 7 1HG1 ILE 7 -5.696 9.248 17.586 677 2HG1 ILE 7 2HG1 ILE 7 -5.228 7.881 18.613 678 1HG2 ILE 7 1HG2 ILE 7 -3.099 11.024 18.587 679 2HG2 ILE 7 2HG2 ILE 7 -2.152 10.532 17.184 680 3HG2 ILE 7 3HG2 ILE 7 -3.857 10.983 16.982 681 1HD1 ILE 7 1HD1 ILE 7 -4.540 9.489 20.398 682 2HD1 ILE 7 2HD1 ILE 7 -5.221 10.807 19.411 683 3HD1 ILE 7 3HD1 ILE 7 -6.270 9.512 20.002 684 H GLU 8 H GLU 8 -5.431 6.798 16.374 685 HA GLU 8 HA GLU 8 -4.597 4.386 17.779 686 1HB GLU 8 1HB GLU 8 -6.952 5.131 17.666 687 2HB GLU 8 2HB GLU 8 -6.933 4.955 15.905 688 1HG GLU 8 1HG GLU 8 -6.421 2.483 16.217 689 2HG GLU 8 2HG GLU 8 -6.651 2.720 17.957 690 H ALA 9 H ALA 9 -5.062 5.355 14.381 691 HA ALA 9 HA ALA 9 -4.203 2.939 13.140 692 1HB ALA 9 1HB ALA 9 -3.811 4.371 11.150 693 2HB ALA 9 2HB ALA 9 -5.389 4.640 11.908 694 3HB ALA 9 3HB ALA 9 -4.080 5.813 12.157 695 H ARG 10 H ARG 10 -2.261 5.841 14.095 696 HA ARG 10 HA ARG 10 0.206 4.734 13.198 697 1HB ARG 10 1HB ARG 10 -0.266 7.152 13.674 698 2HB ARG 10 2HB ARG 10 -0.095 6.803 15.406 699 1HG ARG 10 1HG ARG 10 2.223 5.960 15.003 700 2HG ARG 10 2HG ARG 10 1.985 6.155 13.259 701 1HD ARG 10 1HD ARG 10 1.599 8.617 13.699 702 2HD ARG 10 2HD ARG 10 2.233 8.357 15.331 703 HE ARG 10 HE ARG 10 4.211 7.234 14.022 704 1HH1 ARG 10 1HH1 ARG 10 2.709 10.321 13.117 705 2HH1 ARG 10 2HH1 ARG 10 3.864 10.576 11.808 706 1HH2 ARG 10 1HH2 ARG 10 5.725 7.719 12.418 707 2HH2 ARG 10 2HH2 ARG 10 5.540 9.191 11.475 708 H LYS 11 H LYS 11 -1.244 4.699 16.504 709 HA LYS 11 HA LYS 11 0.836 3.214 17.774 710 1HB LYS 11 1HB LYS 11 -2.163 3.363 18.239 711 2HB LYS 11 2HB LYS 11 -1.064 2.460 19.295 712 1HG LYS 11 1HG LYS 11 0.194 4.442 19.852 713 2HG LYS 11 2HG LYS 11 -0.694 5.421 18.676 714 1HD LYS 11 1HD LYS 11 -2.820 4.963 19.907 715 2HD LYS 11 2HD LYS 11 -1.907 4.084 21.144 716 1HE LYS 11 1HE LYS 11 -1.518 7.027 20.388 717 2HE LYS 11 2HE LYS 11 -2.418 6.443 21.796 718 1HZ LYS 11 1HZ LYS 11 0.445 6.015 21.302 719 2HZ LYS 11 2HZ LYS 11 -0.210 7.062 22.392 720 3HZ LYS 11 3HZ LYS 11 -0.398 5.437 22.595 721 H TYR 12 H TYR 12 -2.115 2.048 16.089 722 HA TYR 12 HA TYR 12 -1.590 -0.711 16.339 723 1HB TYR 12 1HB TYR 12 -3.756 0.241 15.720 724 2HB TYR 12 2HB TYR 12 -3.100 0.797 14.181 725 HD1 TYR 12 1HD TYR 12 -3.434 -2.361 16.226 726 HD2 TYR 12 2HD TYR 12 -3.486 -0.581 12.300 727 HE1 TYR 12 1HE TYR 12 -3.809 -4.593 15.217 728 HE2 TYR 12 2HE TYR 12 -3.836 -2.822 11.299 729 HH TYR 12 HH TYR 12 -4.181 -5.757 13.283 730 H LEU 13 H LEU 13 -0.701 1.509 13.654 731 HA LEU 13 HA LEU 13 0.712 -0.272 11.995 732 1HB LEU 13 1HB LEU 13 0.202 1.997 11.297 733 2HB LEU 13 2HB LEU 13 1.109 2.667 12.641 734 HG LEU 13 HG LEU 13 3.233 1.887 11.678 735 1HD1 LEU 13 1HD1 LEU 13 3.297 1.039 9.359 736 2HD1 LEU 13 2HD1 LEU 13 2.432 -0.078 10.421 737 3HD1 LEU 13 3HD1 LEU 13 1.522 0.982 9.318 738 1HD2 LEU 13 1HD2 LEU 13 1.513 3.482 9.739 739 2HD2 LEU 13 2HD2 LEU 13 2.350 4.136 11.163 740 3HD2 LEU 13 3HD2 LEU 13 3.288 3.467 9.817 741 H GLU 14 H GLU 14 2.073 1.784 14.611 742 HA GLU 14 HA GLU 14 4.712 0.806 14.543 743 1HB GLU 14 1HB GLU 14 3.975 2.831 15.700 744 2HB GLU 14 2HB GLU 14 3.056 1.877 16.871 745 1HG GLU 14 1HG GLU 14 5.146 0.841 17.700 746 2HG GLU 14 2HG GLU 14 6.084 1.714 16.478 747 H GLN 15 H GLN 15 2.066 -0.241 16.721 748 HA GLN 15 HA GLN 15 3.269 -2.411 18.013 749 1HB GLN 15 1HB GLN 15 1.187 -1.522 18.688 750 2HB GLN 15 2HB GLN 15 0.423 -1.815 17.138 751 1HG GLN 15 1HG GLN 15 1.407 -4.058 18.962 752 2HG GLN 15 2HG GLN 15 -0.207 -3.352 19.082 753 1HE2 GLN 15 1HE2 GLN 15 -0.947 -3.066 16.337 754 2HE2 GLN 15 2HE2 GLN 15 -1.072 -4.703 15.718 755 H LEU 16 H LEU 16 1.334 -2.577 14.969 756 HA LEU 16 HA LEU 16 1.744 -5.347 14.632 757 1HB LEU 16 1HB LEU 16 -0.092 -4.075 13.620 758 2HB LEU 16 2HB LEU 16 1.048 -3.205 12.586 759 HG LEU 16 HG LEU 16 1.621 -5.282 11.405 760 1HD1 LEU 16 1HD1 LEU 16 -0.348 -6.621 13.319 761 2HD1 LEU 16 2HD1 LEU 16 0.281 -7.362 11.832 762 3HD1 LEU 16 3HD1 LEU 16 1.385 -6.987 13.154 763 1HD2 LEU 16 1HD2 LEU 16 -0.355 -3.924 10.693 764 2HD2 LEU 16 2HD2 LEU 16 -0.549 -5.647 10.316 765 3HD2 LEU 16 3HD2 LEU 16 -1.381 -4.941 11.720 766 H HIS 17 H HIS 17 3.466 -2.574 13.134 767 HA HIS 17 HA HIS 17 5.309 -3.985 11.548 768 1HB HIS 17 1HB HIS 17 4.943 -1.539 11.534 769 2HB HIS 17 2HB HIS 17 5.678 -1.408 13.129 770 HD1 HIS 17 1HD HIS 17 7.498 0.254 12.081 771 HD2 HIS 17 2HD HIS 17 7.399 -3.619 10.442 772 HE1 HIS 17 1HE HIS 17 9.583 0.020 10.626 773 H ARG 18 H ARG 18 5.653 -2.973 15.002 774 HA ARG 18 HA ARG 18 8.150 -4.261 15.477 775 1HB ARG 18 1HB ARG 18 5.845 -3.523 17.307 776 2HB ARG 18 2HB ARG 18 7.359 -4.226 17.898 777 1HG ARG 18 1HG ARG 18 8.667 -2.384 17.007 778 2HG ARG 18 2HG ARG 18 7.242 -1.677 16.225 779 1HD ARG 18 1HD ARG 18 6.167 -1.364 18.412 780 2HD ARG 18 2HD ARG 18 7.585 -2.067 19.230 781 HE ARG 18 HE ARG 18 8.599 -0.013 17.646 782 1HH1 ARG 18 1HH1 ARG 18 6.309 -0.222 20.311 783 2HH1 ARG 18 2HH1 ARG 18 6.537 1.439 20.804 784 1HH2 ARG 18 1HH2 ARG 18 8.954 2.100 18.340 785 2HH2 ARG 18 2HH2 ARG 18 8.080 2.745 19.708 786 H LYS 19 H LYS 19 4.813 -5.570 16.072 787 HA LYS 19 HA LYS 19 5.685 -8.112 16.998 788 1HB LYS 19 1HB LYS 19 3.160 -7.248 15.544 789 2HB LYS 19 2HB LYS 19 3.397 -8.886 16.135 790 1HG LYS 19 1HG LYS 19 3.309 -6.352 17.823 791 2HG LYS 19 2HG LYS 19 2.071 -7.596 17.701 792 1HD LYS 19 1HD LYS 19 4.815 -7.866 19.011 793 2HD LYS 19 2HD LYS 19 3.234 -7.863 19.782 794 1HE LYS 19 1HE LYS 19 2.643 -9.973 18.548 795 2HE LYS 19 2HE LYS 19 4.296 -10.026 17.902 796 1HZ LYS 19 1HZ LYS 19 3.582 -10.081 20.744 797 2HZ LYS 19 2HZ LYS 19 4.081 -11.366 19.840 798 3HZ LYS 19 3HZ LYS 19 5.113 -10.115 20.135 799 H LEU 20 H LEU 20 4.939 -7.127 13.624 800 HA LEU 20 HA LEU 20 5.637 -9.630 12.440 801 1HB LEU 20 1HB LEU 20 5.792 -6.802 11.362 802 2HB LEU 20 2HB LEU 20 6.012 -8.252 10.371 803 HG LEU 20 HG LEU 20 3.462 -7.757 11.965 804 1HD1 LEU 20 1HD1 LEU 20 4.147 -7.041 9.091 805 2HD1 LEU 20 2HD1 LEU 20 2.512 -6.994 9.792 806 3HD1 LEU 20 3HD1 LEU 20 3.777 -5.915 10.411 807 1HD2 LEU 20 1HD2 LEU 20 4.137 -9.609 9.642 808 2HD2 LEU 20 2HD2 LEU 20 3.772 -10.100 11.309 809 3HD2 LEU 20 3HD2 LEU 20 2.516 -9.354 10.319 810 H LYS 21 H LYS 21 7.699 -6.750 13.161 811 HA LYS 21 HA LYS 21 10.094 -7.857 12.140 812 1HB LYS 21 1HB LYS 21 9.522 -5.489 12.964 813 2HB LYS 21 2HB LYS 21 10.006 -6.039 14.573 814 1HG LYS 21 1HG LYS 21 12.239 -6.637 13.681 815 2HG LYS 21 2HG LYS 21 11.734 -6.199 12.048 816 1HD LYS 21 1HD LYS 21 12.008 -4.315 14.433 817 2HD LYS 21 2HD LYS 21 13.073 -4.403 13.027 818 1HE LYS 21 1HE LYS 21 10.187 -3.402 13.097 819 2HE LYS 21 2HE LYS 21 11.647 -2.476 12.768 820 1HZ LYS 21 1HZ LYS 21 10.605 -4.631 11.061 821 2HZ LYS 21 2HZ LYS 21 10.439 -3.025 10.777 822 3HZ LYS 21 3HZ LYS 21 11.940 -3.716 10.754 823 H ASN 22 H ASN 22 8.623 -8.241 15.348 824 HA ASN 22 HA ASN 22 10.702 -9.878 16.473 825 1HB ASN 22 1HB ASN 22 7.786 -9.442 17.170 826 2HB ASN 22 2HB ASN 22 8.753 -10.672 17.983 827 1HD2 ASN 22 1HD2 ASN 22 8.831 -7.138 17.207 828 2HD2 ASN 22 2HD2 ASN 22 9.713 -6.750 18.687 829 H CYS 23 H CYS 23 8.531 -10.755 13.882 830 HA CYS 23 HA CYS 23 8.555 -13.600 14.372 831 1HB CYS 23 1HB CYS 23 8.657 -12.169 11.712 832 2HB CYS 23 2HB CYS 23 8.192 -13.851 12.000 833 H LYS 24 H LYS 24 11.061 -11.309 13.345 834 HA LYS 24 HA LYS 24 12.837 -13.316 12.207 835 1HB LYS 24 1HB LYS 24 12.749 -10.861 11.602 836 2HB LYS 24 2HB LYS 24 13.436 -10.524 13.192 837 1HG LYS 24 1HG LYS 24 15.355 -12.195 12.443 838 2HG LYS 24 2HG LYS 24 14.653 -12.040 10.842 839 1HD LYS 24 1HD LYS 24 16.546 -10.511 11.136 840 2HD LYS 24 2HD LYS 24 15.054 -9.602 10.863 841 1HE LYS 24 1HE LYS 24 16.603 -8.682 12.658 842 2HE LYS 24 2HE LYS 24 14.937 -8.922 13.175 843 1HZ LYS 24 1HZ LYS 24 15.592 -10.973 14.206 844 2HZ LYS 24 2HZ LYS 24 17.148 -10.789 13.690 845 3HZ LYS 24 3HZ LYS 24 16.508 -9.731 14.781 846 H VAL 25 H VAL 25 12.368 -14.703 14.220 847 HA VAL 25 HA VAL 25 14.644 -14.429 16.126 848 HB VAL 25 HB VAL 25 12.608 -13.461 17.147 849 1HG1 VAL 25 1HG1 VAL 25 10.887 -14.895 16.035 850 2HG1 VAL 25 2HG1 VAL 25 11.423 -16.271 17.020 851 3HG1 VAL 25 3HG1 VAL 25 10.719 -14.842 17.794 852 1HG2 VAL 25 1HG2 VAL 25 13.477 -16.062 18.477 853 2HG2 VAL 25 2HG2 VAL 25 14.364 -14.523 18.539 854 3HG2 VAL 25 3HG2 VAL 25 12.751 -14.649 19.262 Start of MODEL 15 1 1H GLU 1 1H GLU 1 -11.551 11.647 5.279 2 2H GLU 1 2H GLU 1 -11.183 11.942 6.855 3 3H GLU 1 3H GLU 1 -11.169 10.397 6.279 4 HA GLU 1 HA GLU 1 -9.373 10.852 4.821 5 1HB GLU 1 1HB GLU 1 -9.780 13.646 5.915 6 2HB GLU 1 2HB GLU 1 -8.170 13.157 5.383 7 1HG GLU 1 1HG GLU 1 -10.662 12.983 3.633 8 2HG GLU 1 2HG GLU 1 -9.483 14.300 3.599 9 H ASN 2 H ASN 2 -9.140 12.535 7.968 10 HA ASN 2 HA ASN 2 -7.816 12.263 9.764 11 1HB ASN 2 1HB ASN 2 -8.688 9.869 9.675 12 2HB ASN 2 2HB ASN 2 -7.150 9.412 8.931 13 1HD2 ASN 2 1HD2 ASN 2 -5.058 10.268 10.260 14 2HD2 ASN 2 2HD2 ASN 2 -5.305 10.032 11.981 15 H ARG 3 H ARG 3 -6.207 10.473 7.140 16 HA ARG 3 HA ARG 3 -4.145 10.479 6.249 17 1HB ARG 3 1HB ARG 3 -4.209 13.391 7.061 18 2HB ARG 3 2HB ARG 3 -2.964 12.700 6.044 19 1HG ARG 3 1HG ARG 3 -5.780 12.191 5.160 20 2HG ARG 3 2HG ARG 3 -5.258 13.877 5.166 21 1HD ARG 3 1HD ARG 3 -4.796 12.961 2.982 22 2HD ARG 3 2HD ARG 3 -3.281 13.312 3.804 23 HE ARG 3 HE ARG 3 -2.742 11.064 3.851 24 1HH1 ARG 3 1HH1 ARG 3 -6.196 11.316 3.064 25 2HH1 ARG 3 2HH1 ARG 3 -6.292 9.661 2.513 26 1HH2 ARG 3 1HH2 ARG 3 -2.862 9.048 2.945 27 2HH2 ARG 3 2HH2 ARG 3 -4.404 8.343 2.483 28 H GLU 4 H GLU 4 -1.718 10.900 6.725 29 HA GLU 4 HA GLU 4 0.066 10.240 7.859 30 1HB GLU 4 1HB GLU 4 -0.515 12.153 9.367 31 2HB GLU 4 2HB GLU 4 -1.344 11.013 10.439 32 1HG GLU 4 1HG GLU 4 0.896 11.470 11.276 33 2HG GLU 4 2HG GLU 4 0.814 9.790 10.749 34 H VAL 5 H VAL 5 -2.823 8.993 9.515 35 HA VAL 5 HA VAL 5 -1.933 6.328 8.607 36 HB VAL 5 HB VAL 5 -3.174 6.678 11.355 37 1HG1 VAL 5 1HG1 VAL 5 -3.782 4.560 10.248 38 2HG1 VAL 5 2HG1 VAL 5 -2.092 4.291 9.768 39 3HG1 VAL 5 3HG1 VAL 5 -2.543 4.227 11.474 40 1HG2 VAL 5 1HG2 VAL 5 -0.851 7.449 11.445 41 2HG2 VAL 5 2HG2 VAL 5 -1.010 5.860 12.183 42 3HG2 VAL 5 3HG2 VAL 5 -0.315 5.992 10.562 43 HA PRO 6 HA PRO 6 -6.037 7.810 7.271 44 1HB PRO 6 1HB PRO 6 -6.071 6.967 4.679 45 2HB PRO 6 2HB PRO 6 -5.058 8.325 5.244 46 1HG PRO 6 1HG PRO 6 -4.215 5.419 4.935 47 2HG PRO 6 2HG PRO 6 -3.407 6.847 4.231 48 1HD PRO 6 1HD PRO 6 -2.578 5.759 6.557 49 2HD PRO 6 2HD PRO 6 -2.592 7.540 6.353 50 HA PRO 7 HA PRO 7 -8.707 4.255 7.975 51 1HB PRO 7 1HB PRO 7 -10.154 5.329 5.532 52 2HB PRO 7 2HB PRO 7 -10.859 4.679 7.044 53 1HG PRO 7 1HG PRO 7 -10.643 7.356 6.730 54 2HG PRO 7 2HG PRO 7 -10.131 6.613 8.276 55 1HD PRO 7 1HD PRO 7 -8.389 7.519 5.976 56 2HD PRO 7 2HD PRO 7 -8.172 7.715 7.746 57 H GLY 8 H GLY 8 -7.697 4.880 4.606 58 1HA GLY 8 1HA GLY 8 -8.029 2.450 3.331 59 2HA GLY 8 2HA GLY 8 -6.629 3.506 3.107 60 H PHE 9 H PHE 9 -5.498 3.236 5.765 61 HA PHE 9 HA PHE 9 -4.019 0.763 5.443 62 1HB PHE 9 1HB PHE 9 -2.930 2.652 6.447 63 2HB PHE 9 2HB PHE 9 -4.193 2.823 7.664 64 HD1 PHE 9 1HD PHE 9 -1.959 0.039 6.433 65 HD2 PHE 9 2HD PHE 9 -3.646 2.109 9.816 66 HE1 PHE 9 1HE PHE 9 -0.780 -1.506 7.973 67 HE2 PHE 9 2HE PHE 9 -2.409 0.618 11.348 68 HZ PHE 9 HZ PHE 9 -1.020 -1.233 10.438 69 H THR 10 H THR 10 -6.478 1.836 7.870 70 HA THR 10 HA THR 10 -6.714 -0.594 9.268 71 HB THR 10 HB THR 10 -8.953 1.400 8.701 72 HG1 THR 10 1HG THR 10 -6.893 1.510 10.643 73 1HG2 THR 10 1HG2 THR 10 -9.631 0.828 11.009 74 2HG2 THR 10 2HG2 THR 10 -9.646 -0.615 9.976 75 3HG2 THR 10 3HG2 THR 10 -8.311 -0.355 11.121 76 H ALA 11 H ALA 11 -8.494 0.572 6.397 77 HA ALA 11 HA ALA 11 -10.194 -1.687 6.056 78 1HB ALA 11 1HB ALA 11 -10.492 0.584 5.050 79 2HB ALA 11 2HB ALA 11 -9.163 0.228 3.927 80 3HB ALA 11 3HB ALA 11 -10.656 -0.742 3.894 81 H LEU 12 H LEU 12 -6.956 -0.941 4.612 82 HA LEU 12 HA LEU 12 -6.630 -3.360 3.183 83 1HB LEU 12 1HB LEU 12 -5.167 -1.457 2.947 84 2HB LEU 12 2HB LEU 12 -4.495 -1.686 4.559 85 HG LEU 12 HG LEU 12 -4.428 -3.999 2.595 86 1HD1 LEU 12 1HD1 LEU 12 -3.622 -2.146 1.257 87 2HD1 LEU 12 2HD1 LEU 12 -2.559 -1.619 2.584 88 3HD1 LEU 12 3HD1 LEU 12 -2.250 -3.151 1.740 89 1HD2 LEU 12 1HD2 LEU 12 -3.547 -4.484 4.854 90 2HD2 LEU 12 2HD2 LEU 12 -2.214 -4.404 3.716 91 3HD2 LEU 12 3HD2 LEU 12 -2.533 -3.032 4.793 92 H ILE 13 H ILE 13 -5.605 -2.642 6.582 93 HA ILE 13 HA ILE 13 -4.717 -5.234 7.240 94 HB ILE 13 HB ILE 13 -5.973 -3.028 8.891 95 1HG1 ILE 13 1HG1 ILE 13 -3.711 -2.643 7.853 96 2HG1 ILE 13 2HG1 ILE 13 -3.795 -2.487 9.605 97 1HG2 ILE 13 1HG2 ILE 13 -5.082 -4.190 10.915 98 2HG2 ILE 13 2HG2 ILE 13 -6.476 -4.978 10.182 99 3HG2 ILE 13 3HG2 ILE 13 -4.855 -5.654 9.925 100 1HD1 ILE 13 1HD1 ILE 13 -2.741 -4.701 9.889 101 2HD1 ILE 13 2HD1 ILE 13 -2.694 -4.921 8.124 102 3HD1 ILE 13 3HD1 ILE 13 -1.749 -3.640 8.888 103 H LYS 14 H LYS 14 -8.061 -3.946 7.671 104 HA LYS 14 HA LYS 14 -9.135 -6.362 8.649 105 1HB LYS 14 1HB LYS 14 -10.288 -4.218 8.803 106 2HB LYS 14 2HB LYS 14 -10.464 -4.142 7.046 107 1HG LYS 14 1HG LYS 14 -12.549 -4.816 8.151 108 2HG LYS 14 2HG LYS 14 -11.979 -6.081 7.061 109 1HD LYS 14 1HD LYS 14 -11.101 -7.384 8.972 110 2HD LYS 14 2HD LYS 14 -11.511 -6.061 10.085 111 1HE LYS 14 1HE LYS 14 -13.918 -6.355 9.515 112 2HE LYS 14 2HE LYS 14 -13.491 -7.661 8.392 113 1HZ LYS 14 1HZ LYS 14 -12.601 -8.878 10.255 114 2HZ LYS 14 2HZ LYS 14 -13.000 -7.661 11.290 115 3HZ LYS 14 3HZ LYS 14 -14.183 -8.500 10.512 116 H THR 15 H THR 15 -9.025 -5.198 5.238 117 HA THR 15 HA THR 15 -10.233 -7.594 4.209 118 HB THR 15 HB THR 15 -9.412 -6.854 1.981 119 HG1 THR 15 1HG THR 15 -8.469 -4.649 3.501 120 1HG2 THR 15 1HG2 THR 15 -10.948 -4.978 1.866 121 2HG2 THR 15 2HG2 THR 15 -11.622 -6.230 2.911 122 3HG2 THR 15 3HG2 THR 15 -10.904 -4.778 3.633 123 H LEU 16 H LEU 16 -6.849 -6.816 4.852 124 HA LEU 16 HA LEU 16 -5.697 -9.161 3.702 125 1HB LEU 16 1HB LEU 16 -4.545 -7.075 4.572 126 2HB LEU 16 2HB LEU 16 -4.731 -7.697 6.202 127 HG LEU 16 HG LEU 16 -3.341 -9.270 3.986 128 1HD1 LEU 16 1HD1 LEU 16 -2.113 -7.289 5.946 129 2HD1 LEU 16 2HD1 LEU 16 -1.215 -8.355 4.841 130 3HD1 LEU 16 3HD1 LEU 16 -2.248 -7.076 4.186 131 1HD2 LEU 16 1HD2 LEU 16 -2.120 -10.281 5.940 132 2HD2 LEU 16 2HD2 LEU 16 -3.187 -9.386 7.039 133 3HD2 LEU 16 3HD2 LEU 16 -3.841 -10.643 5.968 134 H ARG 17 H ARG 17 -6.815 -8.489 7.059 135 HA ARG 17 HA ARG 17 -6.490 -11.070 8.112 136 1HB ARG 17 1HB ARG 17 -7.038 -8.917 9.327 137 2HB ARG 17 2HB ARG 17 -8.712 -9.120 8.811 138 1HG ARG 17 1HG ARG 17 -7.971 -11.631 9.917 139 2HG ARG 17 2HG ARG 17 -7.199 -10.446 10.963 140 1HD ARG 17 1HD ARG 17 -9.413 -10.926 11.849 141 2HD ARG 17 2HD ARG 17 -9.402 -9.277 11.225 142 HE ARG 17 HE ARG 17 -10.951 -9.878 9.607 143 1HH1 ARG 17 1HH1 ARG 17 -9.496 -12.869 10.844 144 2HH1 ARG 17 2HH1 ARG 17 -10.543 -13.882 9.870 145 1HH2 ARG 17 1HH2 ARG 17 -12.380 -11.251 8.511 146 2HH2 ARG 17 2HH2 ARG 17 -12.202 -12.988 8.662 147 H LYS 18 H LYS 18 -9.392 -9.698 6.496 148 HA LYS 18 HA LYS 18 -11.043 -11.994 6.448 149 1HB LYS 18 1HB LYS 18 -11.747 -9.715 5.764 150 2HB LYS 18 2HB LYS 18 -10.678 -9.839 4.364 151 1HG LYS 18 1HG LYS 18 -12.070 -11.916 3.653 152 2HG LYS 18 2HG LYS 18 -13.176 -11.471 4.943 153 1HD LYS 18 1HD LYS 18 -13.926 -10.648 2.760 154 2HD LYS 18 2HD LYS 18 -13.614 -9.301 3.859 155 1HE LYS 18 1HE LYS 18 -12.808 -8.956 1.475 156 2HE LYS 18 2HE LYS 18 -11.574 -8.713 2.700 157 1HZ LYS 18 1HZ LYS 18 -10.733 -9.981 0.909 158 2HZ LYS 18 2HZ LYS 18 -10.764 -10.917 2.258 159 3HZ LYS 18 3HZ LYS 18 -11.898 -11.140 1.083 160 H CYS 19 H CYS 19 -8.714 -10.960 3.873 161 HA CYS 19 HA CYS 19 -9.073 -13.229 2.230 162 1HB CYS 19 1HB CYS 19 -7.985 -11.084 1.594 163 2HB CYS 19 2HB CYS 19 -6.586 -11.512 2.582 164 H LYS 20 H LYS 20 -6.825 -12.708 4.915 165 HA LYS 20 HA LYS 20 -5.501 -15.266 4.824 166 1HB LYS 20 1HB LYS 20 -4.619 -13.157 5.772 167 2HB LYS 20 2HB LYS 20 -5.841 -13.219 7.050 168 1HG LYS 20 1HG LYS 20 -4.836 -15.264 7.952 169 2HG LYS 20 2HG LYS 20 -3.668 -15.315 6.614 170 1HD LYS 20 1HD LYS 20 -2.773 -13.099 7.341 171 2HD LYS 20 2HD LYS 20 -3.964 -13.041 8.649 172 1HE LYS 20 1HE LYS 20 -1.808 -15.194 8.366 173 2HE LYS 20 2HE LYS 20 -1.696 -13.768 9.414 174 1HZ LYS 20 1HZ LYS 20 -3.710 -15.891 9.613 175 2HZ LYS 20 2HZ LYS 20 -2.449 -15.638 10.643 176 3HZ LYS 20 3HZ LYS 20 -3.674 -14.535 10.543 177 H ILE 21 H ILE 21 -8.724 -14.557 5.624 178 HA ILE 21 HA ILE 21 -10.406 -15.707 6.482 179 HB ILE 21 HB ILE 21 -8.568 -18.066 7.017 180 1HG1 ILE 21 1HG1 ILE 21 -8.323 -17.542 4.663 181 2HG1 ILE 21 2HG1 ILE 21 -9.306 -18.982 4.873 182 1HG2 ILE 21 1HG2 ILE 21 -10.676 -19.352 6.801 183 2HG2 ILE 21 2HG2 ILE 21 -10.667 -18.252 8.183 184 3HG2 ILE 21 3HG2 ILE 21 -11.582 -17.826 6.727 185 1HD1 ILE 21 1HD1 ILE 21 -10.209 -17.571 3.106 186 2HD1 ILE 21 2HD1 ILE 21 -11.367 -17.639 4.443 187 3HD1 ILE 21 3HD1 ILE 21 -10.353 -16.195 4.203 188 H ILE 22 H ILE 22 -7.577 -16.473 8.505 189 HA ILE 22 HA ILE 22 -9.127 -15.741 10.947 190 HB ILE 22 HB ILE 22 -8.074 -17.938 10.899 191 1HG1 ILE 22 1HG1 ILE 22 -6.865 -16.053 12.973 192 2HG1 ILE 22 2HG1 ILE 22 -8.522 -16.677 12.992 193 1HG2 ILE 22 1HG2 ILE 22 -5.365 -16.563 11.051 194 2HG2 ILE 22 2HG2 ILE 22 -5.708 -18.297 10.967 195 3HG2 ILE 22 3HG2 ILE 22 -6.003 -17.284 9.557 196 1HD1 ILE 22 1HD1 ILE 22 -5.979 -18.332 13.240 197 2HD1 ILE 22 2HD1 ILE 22 -7.188 -18.006 14.490 198 3HD1 ILE 22 3HD1 ILE 22 -7.620 -19.010 13.091 199 1H ASN 1 1H ASN 1 3.391 16.008 3.777 200 2H ASN 1 2H ASN 1 3.616 16.940 2.436 201 3H ASN 1 3H ASN 1 3.426 17.651 3.911 202 HA ASN 1 HA ASN 1 5.708 17.723 3.277 203 1HB ASN 1 1HB ASN 1 6.680 16.781 5.283 204 2HB ASN 1 2HB ASN 1 5.165 17.615 5.646 205 1HD2 ASN 1 1HD2 ASN 1 6.587 15.526 7.217 206 2HD2 ASN 1 2HD2 ASN 1 5.424 14.222 7.397 207 H LEU 2 H LEU 2 5.521 16.576 1.128 208 HA LEU 2 HA LEU 2 5.798 13.889 0.688 209 1HB LEU 2 1HB LEU 2 6.476 14.334 -1.478 210 2HB LEU 2 2HB LEU 2 5.295 15.547 -0.992 211 HG LEU 2 HG LEU 2 8.306 15.939 -1.332 212 1HD1 LEU 2 1HD1 LEU 2 7.634 17.354 -3.208 213 2HD1 LEU 2 2HD1 LEU 2 7.009 15.709 -3.411 214 3HD1 LEU 2 3HD1 LEU 2 5.921 17.011 -2.884 215 1HD2 LEU 2 1HD2 LEU 2 7.597 17.450 0.464 216 2HD2 LEU 2 2HD2 LEU 2 7.813 18.372 -1.022 217 3HD2 LEU 2 3HD2 LEU 2 6.173 17.957 -0.484 218 H VAL 3 H VAL 3 7.147 12.420 1.423 219 HA VAL 3 HA VAL 3 10.040 13.016 1.832 220 HB VAL 3 HB VAL 3 8.333 10.597 2.550 221 1HG1 VAL 3 1HG1 VAL 3 10.649 9.864 2.099 222 2HG1 VAL 3 2HG1 VAL 3 11.276 11.185 3.108 223 3HG1 VAL 3 3HG1 VAL 3 10.337 9.866 3.836 224 1HG2 VAL 3 1HG2 VAL 3 9.617 12.772 4.262 225 2HG2 VAL 3 2HG2 VAL 3 7.881 12.586 3.951 226 3HG2 VAL 3 3HG2 VAL 3 8.747 11.350 4.870 227 H SER 4 H SER 4 8.234 10.253 0.423 228 HA SER 4 HA SER 4 9.131 10.554 -2.219 229 1HB SER 4 1HB SER 4 11.349 9.840 -1.366 230 2HB SER 4 2HB SER 4 10.615 8.381 -0.670 231 HG SER 4 HG SER 4 11.562 8.122 -2.829 232 H GLY 5 H GLY 5 8.816 8.144 -3.244 233 1HA GLY 5 1HA GLY 5 7.266 6.525 -3.827 234 2HA GLY 5 2HA GLY 5 6.787 6.456 -2.129 235 H LEU 6 H LEU 6 5.504 8.558 -1.502 236 HA LEU 6 HA LEU 6 3.370 9.348 -1.489 237 1HB LEU 6 1HB LEU 6 4.918 11.103 -2.103 238 2HB LEU 6 2HB LEU 6 4.732 10.751 -3.818 239 HG LEU 6 HG LEU 6 2.361 11.510 -3.727 240 1HD1 LEU 6 1HD1 LEU 6 1.734 10.905 -1.440 241 2HD1 LEU 6 2HD1 LEU 6 2.955 12.026 -0.786 242 3HD1 LEU 6 3HD1 LEU 6 1.541 12.644 -1.669 243 1HD2 LEU 6 1HD2 LEU 6 4.291 13.478 -2.442 244 2HD2 LEU 6 2HD2 LEU 6 4.175 13.130 -4.181 245 3HD2 LEU 6 3HD2 LEU 6 2.810 13.880 -3.335 246 H ILE 7 H ILE 7 3.380 9.749 -5.011 247 HA ILE 7 HA ILE 7 0.701 8.796 -5.235 248 HB ILE 7 HB ILE 7 1.007 8.972 -7.637 249 1HG1 ILE 7 1HG1 ILE 7 3.962 9.491 -7.045 250 2HG1 ILE 7 2HG1 ILE 7 3.277 8.125 -7.940 251 1HG2 ILE 7 1HG2 ILE 7 1.302 11.352 -7.700 252 2HG2 ILE 7 2HG2 ILE 7 0.588 10.959 -6.137 253 3HG2 ILE 7 3HG2 ILE 7 2.320 11.340 -6.247 254 1HD1 ILE 7 1HD1 ILE 7 3.269 11.025 -8.825 255 2HD1 ILE 7 2HD1 ILE 7 4.153 9.666 -9.529 256 3HD1 ILE 7 3HD1 ILE 7 2.383 9.714 -9.645 257 H GLU 8 H GLU 8 3.819 7.152 -5.783 258 HA GLU 8 HA GLU 8 2.625 4.730 -6.849 259 1HB GLU 8 1HB GLU 8 4.933 5.372 -7.354 260 2HB GLU 8 2HB GLU 8 5.369 5.308 -5.641 261 1HG GLU 8 1HG GLU 8 6.111 3.286 -6.855 262 2HG GLU 8 2HG GLU 8 4.966 2.880 -5.576 263 H ALA 9 H ALA 9 3.784 5.794 -3.656 264 HA ALA 9 HA ALA 9 3.269 3.427 -2.166 265 1HB ALA 9 1HB ALA 9 3.168 4.949 -0.215 266 2HB ALA 9 2HB ALA 9 4.579 5.216 -1.255 267 3HB ALA 9 3HB ALA 9 3.211 6.335 -1.329 268 H ARG 10 H ARG 10 1.152 6.288 -2.613 269 HA ARG 10 HA ARG 10 -1.143 5.214 -1.353 270 1HB ARG 10 1HB ARG 10 -0.750 7.586 -1.783 271 2HB ARG 10 2HB ARG 10 -0.935 7.335 -3.526 272 1HG ARG 10 1HG ARG 10 -3.262 6.681 -3.256 273 2HG ARG 10 2HG ARG 10 -3.112 6.636 -1.491 274 1HD ARG 10 1HD ARG 10 -2.718 9.153 -3.164 275 2HD ARG 10 2HD ARG 10 -4.255 8.675 -2.407 276 HE ARG 10 HE ARG 10 -2.200 8.646 -0.427 277 1HH1 ARG 10 1HH1 ARG 10 -4.060 10.950 -2.325 278 2HH1 ARG 10 2HH1 ARG 10 -4.037 12.184 -1.086 279 1HH2 ARG 10 1HH2 ARG 10 -2.214 10.219 1.194 280 2HH2 ARG 10 2HH2 ARG 10 -3.019 11.744 0.929 281 H LYS 11 H LYS 11 -0.242 5.174 -4.878 282 HA LYS 11 HA LYS 11 -2.594 3.764 -5.653 283 1HB LYS 11 1HB LYS 11 0.148 4.056 -6.908 284 2HB LYS 11 2HB LYS 11 -1.052 2.997 -7.621 285 1HG LYS 11 1HG LYS 11 -1.336 5.992 -7.189 286 2HG LYS 11 2HG LYS 11 -1.120 5.141 -8.717 287 1HD LYS 11 1HD LYS 11 -3.594 5.215 -6.944 288 2HD LYS 11 2HD LYS 11 -3.418 5.752 -8.606 289 1HE LYS 11 1HE LYS 11 -3.130 3.387 -9.357 290 2HE LYS 11 2HE LYS 11 -3.313 2.837 -7.681 291 1HZ LYS 11 1HZ LYS 11 -5.352 4.211 -9.252 292 2HZ LYS 11 2HZ LYS 11 -5.354 2.638 -8.732 293 3HZ LYS 11 3HZ LYS 11 -5.469 3.867 -7.642 294 H TYR 12 H TYR 12 0.669 2.347 -4.834 295 HA TYR 12 HA TYR 12 -0.364 -0.277 -5.247 296 1HB TYR 12 1HB TYR 12 1.612 -1.101 -4.783 297 2HB TYR 12 2HB TYR 12 2.119 0.556 -5.031 298 HD1 TYR 12 1HD TYR 12 1.145 -1.964 -2.415 299 HD2 TYR 12 2HD TYR 12 3.496 1.515 -3.358 300 HE1 TYR 12 1HE TYR 12 2.186 -2.053 -0.163 301 HE2 TYR 12 2HE TYR 12 4.528 1.425 -1.093 302 HH TYR 12 HH TYR 12 4.535 0.387 0.933 303 H LEU 13 H LEU 13 -0.265 1.715 -2.251 304 HA LEU 13 HA LEU 13 -1.507 -0.072 -0.455 305 1HB LEU 13 1HB LEU 13 -0.782 2.055 0.314 306 2HB LEU 13 2HB LEU 13 -1.712 2.910 -0.897 307 HG LEU 13 HG LEU 13 -3.823 2.364 0.216 308 1HD1 LEU 13 1HD1 LEU 13 -2.081 1.067 2.359 309 2HD1 LEU 13 2HD1 LEU 13 -3.827 1.361 2.469 310 3HD1 LEU 13 3HD1 LEU 13 -3.207 0.215 1.277 311 1HD2 LEU 13 1HD2 LEU 13 -2.604 4.426 0.786 312 2HD2 LEU 13 2HD2 LEU 13 -3.481 3.788 2.188 313 3HD2 LEU 13 3HD2 LEU 13 -1.723 3.562 2.066 314 H GLU 14 H GLU 14 -3.182 2.186 -2.717 315 HA GLU 14 HA GLU 14 -5.800 1.296 -2.255 316 1HB GLU 14 1HB GLU 14 -5.098 3.360 -3.474 317 2HB GLU 14 2HB GLU 14 -4.635 2.360 -4.858 318 1HG GLU 14 1HG GLU 14 -7.029 1.501 -4.942 319 2HG GLU 14 2HG GLU 14 -7.432 2.653 -3.663 320 H GLN 15 H GLN 15 -3.628 0.210 -4.931 321 HA GLN 15 HA GLN 15 -5.476 -1.712 -5.963 322 1HB GLN 15 1HB GLN 15 -2.440 -1.664 -6.202 323 2HB GLN 15 2HB GLN 15 -3.545 -2.630 -7.186 324 1HG GLN 15 1HG GLN 15 -3.290 0.404 -7.158 325 2HG GLN 15 2HG GLN 15 -2.873 -0.695 -8.465 326 1HE2 GLN 15 1HE2 GLN 15 -4.956 -2.194 -9.063 327 2HE2 GLN 15 2HE2 GLN 15 -6.390 -1.212 -9.333 328 H LEU 16 H LEU 16 -2.798 -2.124 -3.596 329 HA LEU 16 HA LEU 16 -3.069 -4.933 -3.324 330 1HB LEU 16 1HB LEU 16 -1.131 -3.669 -2.550 331 2HB LEU 16 2HB LEU 16 -2.116 -2.830 -1.342 332 HG LEU 16 HG LEU 16 -2.465 -4.895 -0.103 333 1HD1 LEU 16 1HD1 LEU 16 -2.524 -6.590 -1.877 334 2HD1 LEU 16 2HD1 LEU 16 -0.837 -6.232 -2.315 335 3HD1 LEU 16 3HD1 LEU 16 -1.222 -6.978 -0.751 336 1HD2 LEU 16 1HD2 LEU 16 -0.404 -3.540 0.287 337 2HD2 LEU 16 2HD2 LEU 16 -0.159 -5.265 0.625 338 3HD2 LEU 16 3HD2 LEU 16 0.465 -4.556 -0.878 339 H HIS 17 H HIS 17 -4.547 -2.266 -1.365 340 HA HIS 17 HA HIS 17 -6.221 -3.894 0.247 341 1HB HIS 17 1HB HIS 17 -5.871 -1.536 0.682 342 2HB HIS 17 2HB HIS 17 -6.607 -1.097 -0.859 343 HD1 HIS 17 1HD HIS 17 -8.337 -3.669 1.489 344 HD2 HIS 17 2HD HIS 17 -8.573 0.329 0.135 345 HE1 HIS 17 1HE HIS 17 -10.590 -2.750 2.239 346 H ARG 18 H ARG 18 -6.901 -2.457 -2.989 347 HA ARG 18 HA ARG 18 -9.500 -3.432 -3.352 348 1HB ARG 18 1HB ARG 18 -8.176 -1.815 -4.806 349 2HB ARG 18 2HB ARG 18 -7.415 -3.229 -5.551 350 1HG ARG 18 1HG ARG 18 -9.839 -4.043 -6.038 351 2HG ARG 18 2HG ARG 18 -10.330 -2.402 -5.590 352 1HD ARG 18 1HD ARG 18 -8.480 -3.291 -7.842 353 2HD ARG 18 2HD ARG 18 -10.043 -2.503 -8.024 354 HE ARG 18 HE ARG 18 -7.444 -1.279 -7.535 355 1HH1 ARG 18 1HH1 ARG 18 -10.865 -0.732 -6.925 356 2HH1 ARG 18 2HH1 ARG 18 -10.693 1.010 -6.863 357 1HH2 ARG 18 1HH2 ARG 18 -7.248 0.930 -7.572 358 2HH2 ARG 18 2HH2 ARG 18 -8.588 1.956 -7.109 359 H LYS 19 H LYS 19 -6.414 -5.069 -4.262 360 HA LYS 19 HA LYS 19 -7.584 -7.502 -5.203 361 1HB LYS 19 1HB LYS 19 -4.865 -6.865 -4.001 362 2HB LYS 19 2HB LYS 19 -5.294 -8.450 -4.664 363 1HG LYS 19 1HG LYS 19 -5.732 -7.508 -6.856 364 2HG LYS 19 2HG LYS 19 -5.465 -5.861 -6.264 365 1HD LYS 19 1HD LYS 19 -3.127 -6.460 -5.640 366 2HD LYS 19 2HD LYS 19 -3.365 -8.085 -6.304 367 1HE LYS 19 1HE LYS 19 -3.599 -5.468 -7.878 368 2HE LYS 19 2HE LYS 19 -2.187 -6.539 -7.879 369 1HZ LYS 19 1HZ LYS 19 -4.877 -7.263 -8.809 370 2HZ LYS 19 2HZ LYS 19 -3.568 -6.953 -9.758 371 3HZ LYS 19 3HZ LYS 19 -3.576 -8.272 -8.771 372 H LEU 20 H LEU 20 -6.302 -6.683 -1.930 373 HA LEU 20 HA LEU 20 -7.024 -9.183 -0.738 374 1HB LEU 20 1HB LEU 20 -6.631 -6.430 0.468 375 2HB LEU 20 2HB LEU 20 -6.791 -7.912 1.417 376 HG LEU 20 HG LEU 20 -4.602 -7.523 -0.681 377 1HD1 LEU 20 1HD1 LEU 20 -4.527 -7.090 2.322 378 2HD1 LEU 20 2HD1 LEU 20 -3.116 -7.061 1.242 379 3HD1 LEU 20 3HD1 LEU 20 -4.388 -5.835 1.076 380 1HD2 LEU 20 1HD2 LEU 20 -3.499 -9.360 0.584 381 2HD2 LEU 20 2HD2 LEU 20 -4.970 -9.563 1.551 382 3HD2 LEU 20 3HD2 LEU 20 -4.993 -9.884 -0.194 383 H LYS 21 H LYS 21 -8.995 -6.264 -1.269 384 HA LYS 21 HA LYS 21 -11.305 -7.288 0.143 385 1HB LYS 21 1HB LYS 21 -10.974 -4.918 -0.463 386 2HB LYS 21 2HB LYS 21 -11.116 -5.331 -2.172 387 1HG LYS 21 1HG LYS 21 -13.435 -6.057 -1.867 388 2HG LYS 21 2HG LYS 21 -13.290 -5.902 -0.114 389 1HD LYS 21 1HD LYS 21 -14.507 -3.990 -1.108 390 2HD LYS 21 2HD LYS 21 -13.049 -3.492 -0.247 391 1HE LYS 21 1HE LYS 21 -13.366 -2.270 -2.385 392 2HE LYS 21 2HE LYS 21 -11.840 -3.151 -2.339 393 1HZ LYS 21 1HZ LYS 21 -12.990 -3.426 -4.420 394 2HZ LYS 21 2HZ LYS 21 -12.862 -4.874 -3.645 395 3HZ LYS 21 3HZ LYS 21 -14.302 -4.073 -3.661 396 H ASN 22 H ASN 22 -10.431 -7.268 -3.343 397 HA ASN 22 HA ASN 22 -12.569 -8.777 -4.335 398 1HB ASN 22 1HB ASN 22 -10.696 -7.438 -5.529 399 2HB ASN 22 2HB ASN 22 -9.765 -8.938 -5.489 400 1HD2 ASN 22 1HD2 ASN 22 -12.097 -10.769 -6.043 401 2HD2 ASN 22 2HD2 ASN 22 -12.537 -10.368 -7.698 402 H CYS 23 H CYS 23 -9.610 -9.932 -2.779 403 HA CYS 23 HA CYS 23 -9.674 -12.670 -3.210 404 1HB CYS 23 1HB CYS 23 -7.982 -11.455 -1.930 405 2HB CYS 23 2HB CYS 23 -9.151 -11.196 -0.626 406 H LYS 24 H LYS 24 -12.155 -10.837 -1.478 407 HA LYS 24 HA LYS 24 -13.524 -13.151 -0.364 408 1HB LYS 24 1HB LYS 24 -13.822 -10.740 0.324 409 2HB LYS 24 2HB LYS 24 -14.657 -10.456 -1.202 410 1HG LYS 24 1HG LYS 24 -16.316 -12.258 -0.528 411 2HG LYS 24 2HG LYS 24 -15.471 -12.393 1.025 412 1HD LYS 24 1HD LYS 24 -15.909 -9.944 1.423 413 2HD LYS 24 2HD LYS 24 -16.810 -9.878 -0.097 414 1HE LYS 24 1HE LYS 24 -17.513 -11.656 2.295 415 2HE LYS 24 2HE LYS 24 -18.288 -10.113 1.904 416 1HZ LYS 24 1HZ LYS 24 -19.565 -11.933 1.089 417 2HZ LYS 24 2HZ LYS 24 -18.984 -11.057 -0.182 418 3HZ LYS 24 3HZ LYS 24 -18.300 -12.504 0.203 419 H VAL 25 H VAL 25 -12.912 -14.350 -2.503 420 HA VAL 25 HA VAL 25 -14.581 -13.877 -4.824 421 HB VAL 25 HB VAL 25 -13.690 -16.002 -5.645 422 1HG1 VAL 25 1HG1 VAL 25 -12.407 -13.899 -5.907 423 2HG1 VAL 25 2HG1 VAL 25 -11.533 -14.246 -4.403 424 3HG1 VAL 25 3HG1 VAL 25 -11.357 -15.322 -5.799 425 1HG2 VAL 25 1HG2 VAL 25 -12.021 -17.276 -4.390 426 2HG2 VAL 25 2HG2 VAL 25 -12.244 -16.249 -2.966 427 3HG2 VAL 25 3HG2 VAL 25 -13.566 -17.293 -3.529 428 1H GLU 1 1H GLU 1 5.212 11.735 10.587 429 2H GLU 1 2H GLU 1 5.658 10.254 11.170 430 3H GLU 1 3H GLU 1 4.282 10.410 10.268 431 HA GLU 1 HA GLU 1 7.027 10.778 9.337 432 1HB GLU 1 1HB GLU 1 4.931 8.731 8.517 433 2HB GLU 1 2HB GLU 1 6.619 8.841 7.947 434 1HG GLU 1 1HG GLU 1 7.442 8.250 10.171 435 2HG GLU 1 2HG GLU 1 5.782 8.183 10.794 436 H ASN 2 H ASN 2 5.365 9.823 6.727 437 HA ASN 2 HA ASN 2 4.948 12.533 5.659 438 1HB ASN 2 1HB ASN 2 6.126 10.897 4.280 439 2HB ASN 2 2HB ASN 2 4.767 9.776 4.424 440 1HD2 ASN 2 1HD2 ASN 2 5.620 13.078 3.192 441 2HD2 ASN 2 2HD2 ASN 2 4.348 13.041 1.976 442 H ARG 3 H ARG 3 2.989 13.486 5.868 443 HA ARG 3 HA ARG 3 0.783 12.175 7.048 444 1HB ARG 3 1HB ARG 3 1.321 14.516 7.299 445 2HB ARG 3 2HB ARG 3 0.882 14.851 5.617 446 1HG ARG 3 1HG ARG 3 -1.405 14.582 6.035 447 2HG ARG 3 2HG ARG 3 -1.137 13.471 7.386 448 1HD ARG 3 1HD ARG 3 -0.412 15.302 8.845 449 2HD ARG 3 2HD ARG 3 -0.467 16.433 7.490 450 HE ARG 3 HE ARG 3 -2.697 16.721 7.827 451 1HH1 ARG 3 1HH1 ARG 3 -1.906 13.640 9.396 452 2HH1 ARG 3 2HH1 ARG 3 -3.610 13.254 9.652 453 1HH2 ARG 3 1HH2 ARG 3 -4.845 16.233 8.419 454 2HH2 ARG 3 2HH2 ARG 3 -5.171 14.648 9.128 455 H GLU 4 H GLU 4 1.481 12.772 3.632 456 HA GLU 4 HA GLU 4 -1.081 12.066 2.619 457 1HB GLU 4 1HB GLU 4 1.540 11.634 1.150 458 2HB GLU 4 2HB GLU 4 -0.074 11.853 0.489 459 1HG GLU 4 1HG GLU 4 0.802 13.974 0.179 460 2HG GLU 4 2HG GLU 4 -0.010 14.191 1.728 461 H VAL 5 H VAL 5 1.835 10.016 3.046 462 HA VAL 5 HA VAL 5 0.268 7.733 3.805 463 HB VAL 5 HB VAL 5 -0.199 7.473 1.511 464 1HG1 VAL 5 1HG1 VAL 5 2.765 7.561 0.832 465 2HG1 VAL 5 2HG1 VAL 5 1.397 7.316 -0.268 466 3HG1 VAL 5 3HG1 VAL 5 1.609 8.875 0.525 467 1HG2 VAL 5 1HG2 VAL 5 0.703 5.286 1.021 468 2HG2 VAL 5 2HG2 VAL 5 2.028 5.511 2.176 469 3HG2 VAL 5 3HG2 VAL 5 0.348 5.409 2.751 470 HA PRO 6 HA PRO 6 4.233 7.824 5.777 471 1HB PRO 6 1HB PRO 6 3.890 6.078 7.813 472 2HB PRO 6 2HB PRO 6 2.966 7.609 7.676 473 1HG PRO 6 1HG PRO 6 2.064 4.857 6.756 474 2HG PRO 6 2HG PRO 6 1.204 5.954 7.860 475 1HD PRO 6 1HD PRO 6 0.649 5.939 5.216 476 2HD PRO 6 2HD PRO 6 0.737 7.494 6.102 477 HA PRO 7 HA PRO 7 6.726 4.464 3.860 478 1HB PRO 7 1HB PRO 7 8.476 5.520 6.104 479 2HB PRO 7 2HB PRO 7 8.978 4.941 4.487 480 1HG PRO 7 1HG PRO 7 8.695 7.594 4.892 481 2HG PRO 7 2HG PRO 7 7.966 6.862 3.430 482 1HD PRO 7 1HD PRO 7 6.600 7.626 6.011 483 2HD PRO 7 2HD PRO 7 6.058 7.863 4.319 484 H GLY 8 H GLY 8 6.358 4.860 7.412 485 1HA GLY 8 1HA GLY 8 6.814 2.399 8.481 486 2HA GLY 8 2HA GLY 8 5.439 3.409 8.938 487 H PHE 9 H PHE 9 3.939 3.202 6.460 488 HA PHE 9 HA PHE 9 2.569 0.679 6.831 489 1HB PHE 9 1HB PHE 9 1.305 2.494 5.967 490 2HB PHE 9 2HB PHE 9 2.490 2.842 4.714 491 HD1 PHE 9 1HD PHE 9 0.413 -0.093 5.808 492 HD2 PHE 9 2HD PHE 9 2.033 2.193 2.531 493 HE1 PHE 9 1HE PHE 9 -0.641 -1.650 4.193 494 HE2 PHE 9 2HE PHE 9 1.032 0.601 0.927 495 HZ PHE 9 HZ PHE 9 -0.287 -1.331 1.745 496 H THR 10 H THR 10 5.060 1.808 4.533 497 HA THR 10 HA THR 10 5.011 -0.649 2.955 498 HB THR 10 HB THR 10 7.101 1.573 3.078 499 HG1 THR 10 1HG THR 10 5.040 2.229 2.336 500 1HG2 THR 10 1HG2 THR 10 8.080 -0.454 2.130 501 2HG2 THR 10 2HG2 THR 10 6.662 -0.693 1.082 502 3HG2 THR 10 3HG2 THR 10 7.733 0.701 0.832 503 H ALA 11 H ALA 11 7.013 0.632 5.622 504 HA ALA 11 HA ALA 11 8.761 -1.609 5.867 505 1HB ALA 11 1HB ALA 11 7.677 0.128 8.117 506 2HB ALA 11 2HB ALA 11 9.168 -0.833 8.108 507 3HB ALA 11 3HB ALA 11 9.021 0.574 7.042 508 H LEU 12 H LEU 12 5.543 -1.035 7.395 509 HA LEU 12 HA LEU 12 5.269 -3.526 8.685 510 1HB LEU 12 1HB LEU 12 3.832 -1.630 9.055 511 2HB LEU 12 2HB LEU 12 3.100 -1.776 7.462 512 HG LEU 12 HG LEU 12 3.048 -4.156 9.338 513 1HD1 LEU 12 1HD1 LEU 12 1.216 -1.742 9.455 514 2HD1 LEU 12 2HD1 LEU 12 0.915 -3.288 10.273 515 3HD1 LEU 12 3HD1 LEU 12 2.315 -2.308 10.738 516 1HD2 LEU 12 1HD2 LEU 12 1.109 -3.083 7.227 517 2HD2 LEU 12 2HD2 LEU 12 2.114 -4.536 7.075 518 3HD2 LEU 12 3HD2 LEU 12 0.812 -4.499 8.253 519 H ILE 13 H ILE 13 4.127 -2.675 5.335 520 HA ILE 13 HA ILE 13 3.292 -5.293 4.653 521 HB ILE 13 HB ILE 13 4.381 -3.032 2.952 522 1HG1 ILE 13 1HG1 ILE 13 2.232 -2.557 4.050 523 2HG1 ILE 13 2HG1 ILE 13 2.084 -2.676 2.300 524 1HG2 ILE 13 1HG2 ILE 13 3.323 -4.242 1.002 525 2HG2 ILE 13 2HG2 ILE 13 4.820 -4.949 1.611 526 3HG2 ILE 13 3HG2 ILE 13 3.266 -5.698 2.020 527 1HD1 ILE 13 1HD1 ILE 13 0.182 -3.748 3.288 528 2HD1 ILE 13 2HD1 ILE 13 1.183 -5.036 2.616 529 3HD1 ILE 13 3HD1 ILE 13 1.177 -4.727 4.368 530 H LYS 14 H LYS 14 6.572 -3.891 4.152 531 HA LYS 14 HA LYS 14 7.703 -6.234 2.990 532 1HB LYS 14 1HB LYS 14 8.906 -3.943 4.583 533 2HB LYS 14 2HB LYS 14 9.881 -5.244 3.875 534 1HG LYS 14 1HG LYS 14 9.061 -4.742 1.635 535 2HG LYS 14 2HG LYS 14 7.977 -3.488 2.263 536 1HD LYS 14 1HD LYS 14 9.875 -2.161 3.051 537 2HD LYS 14 2HD LYS 14 11.016 -3.440 2.589 538 1HE LYS 14 1HE LYS 14 10.418 -3.189 0.218 539 2HE LYS 14 2HE LYS 14 9.184 -1.986 0.619 540 1HZ LYS 14 1HZ LYS 14 11.208 -0.968 -0.112 541 2HZ LYS 14 2HZ LYS 14 10.923 -0.577 1.463 542 3HZ LYS 14 3HZ LYS 14 12.070 -1.698 1.089 543 H THR 15 H THR 15 7.776 -5.217 6.453 544 HA THR 15 HA THR 15 9.068 -7.602 7.368 545 HB THR 15 HB THR 15 8.226 -6.978 9.613 546 HG1 THR 15 1HG THR 15 7.114 -4.751 8.251 547 1HG2 THR 15 1HG2 THR 15 9.495 -4.733 7.985 548 2HG2 THR 15 2HG2 THR 15 9.439 -4.827 9.752 549 3HG2 THR 15 3HG2 THR 15 10.336 -6.048 8.827 550 H LEU 16 H LEU 16 5.584 -6.874 7.012 551 HA LEU 16 HA LEU 16 4.561 -9.314 8.026 552 1HB LEU 16 1HB LEU 16 3.308 -7.228 7.436 553 2HB LEU 16 2HB LEU 16 3.417 -7.649 5.737 554 HG LEU 16 HG LEU 16 2.179 -9.518 7.808 555 1HD1 LEU 16 1HD1 LEU 16 -0.007 -8.516 7.235 556 2HD1 LEU 16 2HD1 LEU 16 1.065 -7.333 7.996 557 3HD1 LEU 16 3HD1 LEU 16 0.812 -7.292 6.238 558 1HD2 LEU 16 1HD2 LEU 16 2.534 -10.596 5.622 559 2HD2 LEU 16 2HD2 LEU 16 0.819 -10.241 5.810 560 3HD2 LEU 16 3HD2 LEU 16 1.822 -9.200 4.785 561 H ARG 17 H ARG 17 5.310 -8.455 4.625 562 HA ARG 17 HA ARG 17 4.864 -10.952 3.419 563 1HB ARG 17 1HB ARG 17 5.136 -8.814 2.306 564 2HB ARG 17 2HB ARG 17 6.843 -8.738 2.718 565 1HG ARG 17 1HG ARG 17 5.783 -11.096 1.107 566 2HG ARG 17 2HG ARG 17 5.947 -9.514 0.354 567 1HD ARG 17 1HD ARG 17 7.960 -10.437 -0.196 568 2HD ARG 17 2HD ARG 17 8.381 -9.489 1.240 569 HE ARG 17 HE ARG 17 7.646 -12.263 1.823 570 1HH1 ARG 17 1HH1 ARG 17 10.345 -10.196 0.888 571 2HH1 ARG 17 2HH1 ARG 17 11.552 -11.402 1.279 572 1HH2 ARG 17 1HH2 ARG 17 9.178 -13.854 2.097 573 2HH2 ARG 17 2HH2 ARG 17 10.886 -13.468 2.065 574 H LYS 18 H LYS 18 7.924 -9.684 4.816 575 HA LYS 18 HA LYS 18 9.505 -12.026 4.439 576 1HB LYS 18 1HB LYS 18 9.597 -9.815 6.518 577 2HB LYS 18 2HB LYS 18 10.787 -11.121 6.401 578 1HG LYS 18 1HG LYS 18 11.455 -10.481 4.189 579 2HG LYS 18 2HG LYS 18 10.162 -9.284 4.071 580 1HD LYS 18 1HD LYS 18 12.323 -8.207 4.565 581 2HD LYS 18 2HD LYS 18 11.162 -7.945 5.875 582 1HE LYS 18 1HE LYS 18 12.247 -9.666 7.255 583 2HE LYS 18 2HE LYS 18 13.304 -10.130 5.910 584 1HZ LYS 18 1HZ LYS 18 14.385 -8.715 7.483 585 2HZ LYS 18 2HZ LYS 18 14.277 -7.952 6.026 586 3HZ LYS 18 3HZ LYS 18 13.270 -7.521 7.259 587 H CYS 19 H CYS 19 7.694 -11.061 7.424 588 HA CYS 19 HA CYS 19 8.262 -13.388 8.896 589 1HB CYS 19 1HB CYS 19 7.280 -11.256 9.756 590 2HB CYS 19 2HB CYS 19 5.740 -11.705 9.019 591 H LYS 20 H LYS 20 5.545 -12.772 6.696 592 HA LYS 20 HA LYS 20 4.229 -15.314 6.973 593 1HB LYS 20 1HB LYS 20 3.185 -13.241 6.218 594 2HB LYS 20 2HB LYS 20 4.210 -13.204 4.778 595 1HG LYS 20 1HG LYS 20 3.175 -15.183 3.878 596 2HG LYS 20 2HG LYS 20 2.259 -15.478 5.358 597 1HD LYS 20 1HD LYS 20 2.008 -12.973 3.616 598 2HD LYS 20 2HD LYS 20 1.022 -14.413 3.361 599 1HE LYS 20 1HE LYS 20 1.029 -12.769 5.941 600 2HE LYS 20 2HE LYS 20 -0.176 -12.668 4.653 601 1HZ LYS 20 1HZ LYS 20 -0.685 -14.975 5.025 602 2HZ LYS 20 2HZ LYS 20 0.410 -15.055 6.255 603 3HZ LYS 20 3HZ LYS 20 -0.915 -14.086 6.393 604 H ILE 21 H ILE 21 7.237 -14.561 5.513 605 HA ILE 21 HA ILE 21 8.676 -15.610 4.202 606 HB ILE 21 HB ILE 21 6.852 -18.040 4.095 607 1HG1 ILE 21 1HG1 ILE 21 7.282 -17.565 6.447 608 2HG1 ILE 21 2HG1 ILE 21 8.165 -18.986 5.908 609 1HG2 ILE 21 1HG2 ILE 21 8.986 -19.228 3.654 610 2HG2 ILE 21 2HG2 ILE 21 8.532 -18.095 2.376 611 3HG2 ILE 21 3HG2 ILE 21 9.809 -17.659 3.523 612 1HD1 ILE 21 1HD1 ILE 21 9.366 -16.213 6.333 613 2HD1 ILE 21 2HD1 ILE 21 9.534 -17.616 7.393 614 3HD1 ILE 21 3HD1 ILE 21 10.262 -17.648 5.780 615 H ILE 22 H ILE 22 5.422 -16.453 2.991 616 HA ILE 22 HA ILE 22 6.101 -15.914 0.205 617 HB ILE 22 HB ILE 22 3.401 -16.185 1.586 618 1HG1 ILE 22 1HG1 ILE 22 5.070 -18.230 0.045 619 2HG1 ILE 22 2HG1 ILE 22 4.831 -18.212 1.797 620 1HG2 ILE 22 1HG2 ILE 22 3.269 -14.982 -0.605 621 2HG2 ILE 22 2HG2 ILE 22 4.125 -16.332 -1.377 622 3HG2 ILE 22 3HG2 ILE 22 2.505 -16.559 -0.682 623 1HD1 ILE 22 1HD1 ILE 22 2.362 -18.469 1.437 624 2HD1 ILE 22 2HD1 ILE 22 2.698 -18.744 -0.292 625 3HD1 ILE 22 3HD1 ILE 22 3.356 -19.846 0.922 626 1H ASN 1 1H ASN 1 -12.994 11.704 18.865 627 2H ASN 1 2H ASN 1 -12.563 10.584 17.731 628 3H ASN 1 3H ASN 1 -11.464 11.085 18.856 629 HA ASN 1 HA ASN 1 -12.647 12.779 16.790 630 1HB ASN 1 1HB ASN 1 -12.095 13.969 18.894 631 2HB ASN 1 2HB ASN 1 -10.446 13.338 18.826 632 1HD2 ASN 1 1HD2 ASN 1 -12.777 15.527 17.194 633 2HD2 ASN 1 2HD2 ASN 1 -11.521 16.438 16.367 634 H LEU 2 H LEU 2 -11.077 13.532 15.146 635 HA LEU 2 HA LEU 2 -9.626 11.462 13.876 636 1HB LEU 2 1HB LEU 2 -9.416 14.496 13.652 637 2HB LEU 2 2HB LEU 2 -8.567 13.366 12.603 638 HG LEU 2 HG LEU 2 -10.457 14.207 11.461 639 1HD1 LEU 2 1HD1 LEU 2 -11.128 11.332 12.205 640 2HD1 LEU 2 2HD1 LEU 2 -11.505 12.185 10.701 641 3HD1 LEU 2 3HD1 LEU 2 -9.819 11.811 11.103 642 1HD2 LEU 2 1HD2 LEU 2 -12.742 13.990 12.080 643 2HD2 LEU 2 2HD2 LEU 2 -12.364 13.030 13.512 644 3HD2 LEU 2 3HD2 LEU 2 -11.902 14.751 13.440 645 H VAL 3 H VAL 3 -8.422 13.992 16.149 646 HA VAL 3 HA VAL 3 -5.656 13.331 15.855 647 HB VAL 3 HB VAL 3 -7.166 14.526 18.216 648 1HG1 VAL 3 1HG1 VAL 3 -4.999 13.657 19.000 649 2HG1 VAL 3 2HG1 VAL 3 -4.172 14.419 17.623 650 3HG1 VAL 3 3HG1 VAL 3 -4.929 15.417 18.881 651 1HG2 VAL 3 1HG2 VAL 3 -6.290 16.666 17.334 652 2HG2 VAL 3 2HG2 VAL 3 -5.550 15.813 15.965 653 3HG2 VAL 3 3HG2 VAL 3 -7.315 15.881 16.129 654 H SER 4 H SER 4 -8.030 12.186 18.336 655 HA SER 4 HA SER 4 -6.360 10.301 19.622 656 1HB SER 4 1HB SER 4 -8.682 9.199 20.099 657 2HB SER 4 2HB SER 4 -8.257 10.771 20.781 658 HG SER 4 HG SER 4 -9.715 10.501 18.360 659 H GLY 5 H GLY 5 -8.563 9.881 16.803 660 1HA GLY 5 1HA GLY 5 -8.127 7.174 16.209 661 2HA GLY 5 2HA GLY 5 -8.457 8.450 15.025 662 H LEU 6 H LEU 6 -6.333 9.996 14.900 663 HA LEU 6 HA LEU 6 -4.359 8.677 13.445 664 1HB LEU 6 1HB LEU 6 -4.958 11.164 13.612 665 2HB LEU 6 2HB LEU 6 -3.898 11.255 15.007 666 HG LEU 6 HG LEU 6 -3.037 10.337 12.219 667 1HD1 LEU 6 1HD1 LEU 6 -2.056 12.620 12.042 668 2HD1 LEU 6 2HD1 LEU 6 -3.819 12.664 12.193 669 3HD1 LEU 6 3HD1 LEU 6 -2.796 13.046 13.595 670 1HD2 LEU 6 1HD2 LEU 6 -0.739 10.951 13.108 671 2HD2 LEU 6 2HD2 LEU 6 -1.452 11.050 14.729 672 3HD2 LEU 6 3HD2 LEU 6 -1.433 9.510 13.835 673 H ILE 7 H ILE 7 -3.965 9.867 16.870 674 HA ILE 7 HA ILE 7 -1.389 8.629 17.051 675 HB ILE 7 HB ILE 7 -1.375 9.099 19.388 676 1HG1 ILE 7 1HG1 ILE 7 -4.298 9.835 19.082 677 2HG1 ILE 7 2HG1 ILE 7 -3.651 8.496 20.039 678 1HG2 ILE 7 1HG2 ILE 7 -0.977 10.867 17.645 679 2HG2 ILE 7 2HG2 ILE 7 -2.645 11.420 17.879 680 3HG2 ILE 7 3HG2 ILE 7 -1.476 11.500 19.212 681 1HD1 ILE 7 1HD1 ILE 7 -2.427 10.161 21.463 682 2HD1 ILE 7 2HD1 ILE 7 -3.292 11.460 20.603 683 3HD1 ILE 7 3HD1 ILE 7 -4.197 10.269 21.546 684 H GLU 8 H GLU 8 -4.595 7.337 18.061 685 HA GLU 8 HA GLU 8 -3.556 4.926 19.226 686 1HB GLU 8 1HB GLU 8 -6.222 5.621 17.936 687 2HB GLU 8 2HB GLU 8 -5.890 4.067 18.721 688 1HG GLU 8 1HG GLU 8 -5.419 5.158 20.855 689 2HG GLU 8 2HG GLU 8 -5.606 6.760 20.135 690 H ALA 9 H ALA 9 -4.737 5.595 15.891 691 HA ALA 9 HA ALA 9 -4.184 3.011 14.839 692 1HB ALA 9 1HB ALA 9 -4.473 4.059 12.677 693 2HB ALA 9 2HB ALA 9 -5.668 4.706 13.803 694 3HB ALA 9 3HB ALA 9 -4.243 5.679 13.381 695 H ARG 10 H ARG 10 -2.133 5.938 15.072 696 HA ARG 10 HA ARG 10 0.159 4.853 13.740 697 1HB ARG 10 1HB ARG 10 -0.231 7.221 14.068 698 2HB ARG 10 2HB ARG 10 -0.053 7.059 15.817 699 1HG ARG 10 1HG ARG 10 2.226 6.882 15.718 700 2HG ARG 10 2HG ARG 10 2.218 5.959 14.211 701 1HD ARG 10 1HD ARG 10 1.548 8.926 14.322 702 2HD ARG 10 2HD ARG 10 3.181 8.335 14.051 703 HE ARG 10 HE ARG 10 0.955 8.314 12.160 704 1HH1 ARG 10 1HH1 ARG 10 3.947 6.670 12.978 705 2HH1 ARG 10 2HH1 ARG 10 4.277 6.152 11.338 706 1HH2 ARG 10 1HH2 ARG 10 1.355 7.578 9.982 707 2HH2 ARG 10 2HH2 ARG 10 2.777 6.610 9.707 708 H LYS 11 H LYS 11 -0.697 4.918 17.245 709 HA LYS 11 HA LYS 11 1.564 3.491 18.181 710 1HB LYS 11 1HB LYS 11 -0.111 4.591 19.623 711 2HB LYS 11 2HB LYS 11 -1.308 3.370 19.167 712 1HG LYS 11 1HG LYS 11 0.143 1.585 20.172 713 2HG LYS 11 2HG LYS 11 1.350 2.819 20.558 714 1HD LYS 11 1HD LYS 11 0.110 2.347 22.556 715 2HD LYS 11 2HD LYS 11 -0.351 3.971 22.020 716 1HE LYS 11 1HE LYS 11 -2.455 3.072 21.061 717 2HE LYS 11 2HE LYS 11 -1.945 1.418 21.450 718 1HZ LYS 11 1HZ LYS 11 -3.456 2.298 23.063 719 2HZ LYS 11 2HZ LYS 11 -1.988 2.025 23.759 720 3HZ LYS 11 3HZ LYS 11 -2.451 3.563 23.392 721 H TYR 12 H TYR 12 -1.629 2.188 17.105 722 HA TYR 12 HA TYR 12 -0.981 -0.555 17.246 723 1HB TYR 12 1HB TYR 12 -3.241 0.242 16.955 724 2HB TYR 12 2HB TYR 12 -2.851 0.952 15.394 725 HD1 TYR 12 1HD TYR 12 -2.891 -0.351 13.387 726 HD2 TYR 12 2HD TYR 12 -3.133 -2.305 17.218 727 HE1 TYR 12 1HE TYR 12 -3.380 -2.504 12.255 728 HE2 TYR 12 2HE TYR 12 -3.655 -4.455 16.077 729 HH TYR 12 HH TYR 12 -3.804 -4.725 12.532 730 H LEU 13 H LEU 13 -0.721 1.572 14.361 731 HA LEU 13 HA LEU 13 0.451 -0.174 12.522 732 1HB LEU 13 1HB LEU 13 -0.286 2.011 11.867 733 2HB LEU 13 2HB LEU 13 0.772 2.790 13.039 734 HG LEU 13 HG LEU 13 2.768 2.183 11.755 735 1HD1 LEU 13 1HD1 LEU 13 2.548 1.258 9.475 736 2HD1 LEU 13 2HD1 LEU 13 1.993 0.100 10.689 737 3HD1 LEU 13 3HD1 LEU 13 0.809 1.018 9.727 738 1HD2 LEU 13 1HD2 LEU 13 0.610 3.536 10.089 739 2HD2 LEU 13 2HD2 LEU 13 1.607 4.314 11.338 740 3HD2 LEU 13 3HD2 LEU 13 2.367 3.689 9.863 741 H GLU 14 H GLU 14 2.227 2.024 14.773 742 HA GLU 14 HA GLU 14 4.772 1.030 14.034 743 1HB GLU 14 1HB GLU 14 4.290 3.240 15.092 744 2HB GLU 14 2HB GLU 14 3.969 2.415 16.623 745 1HG GLU 14 1HG GLU 14 6.263 3.303 16.584 746 2HG GLU 14 2HG GLU 14 6.326 1.540 16.623 747 H GLN 15 H GLN 15 2.647 0.120 16.775 748 HA GLN 15 HA GLN 15 4.375 -1.744 18.036 749 1HB GLN 15 1HB GLN 15 2.329 -0.826 19.017 750 2HB GLN 15 2HB GLN 15 1.335 -1.682 17.825 751 1HG GLN 15 1HG GLN 15 2.119 -3.856 18.725 752 2HG GLN 15 2HG GLN 15 3.157 -3.004 19.885 753 1HE2 GLN 15 1HE2 GLN 15 1.527 -4.739 21.056 754 2HE2 GLN 15 2HE2 GLN 15 0.140 -3.913 21.759 755 H LEU 16 H LEU 16 1.842 -2.312 15.536 756 HA LEU 16 HA LEU 16 2.345 -5.088 15.240 757 1HB LEU 16 1HB LEU 16 0.288 -3.999 14.540 758 2HB LEU 16 2HB LEU 16 1.150 -3.050 13.324 759 HG LEU 16 HG LEU 16 1.628 -5.034 12.011 760 1HD1 LEU 16 1HD1 LEU 16 1.968 -6.753 13.739 761 2HD1 LEU 16 2HD1 LEU 16 0.275 -6.601 14.258 762 3HD1 LEU 16 3HD1 LEU 16 0.670 -7.261 12.657 763 1HD2 LEU 16 1HD2 LEU 16 -0.638 -5.607 11.352 764 2HD2 LEU 16 2HD2 LEU 16 -1.266 -5.142 12.945 765 3HD2 LEU 16 3HD2 LEU 16 -0.636 -3.902 11.848 766 H HIS 17 H HIS 17 3.542 -2.311 13.275 767 HA HIS 17 HA HIS 17 5.318 -3.658 11.556 768 1HB HIS 17 1HB HIS 17 4.921 -1.327 11.240 769 2HB HIS 17 2HB HIS 17 5.393 -0.947 12.897 770 HD1 HIS 17 1HD HIS 17 7.661 0.177 13.026 771 HD2 HIS 17 2HD HIS 17 7.372 -2.773 10.030 772 HE1 HIS 17 1HE HIS 17 9.969 -0.013 11.953 773 H ARG 18 H ARG 18 6.042 -2.398 14.867 774 HA ARG 18 HA ARG 18 8.700 -3.339 14.991 775 1HB ARG 18 1HB ARG 18 7.760 -1.688 16.519 776 2HB ARG 18 2HB ARG 18 6.696 -2.907 17.240 777 1HG ARG 18 1HG ARG 18 8.652 -4.180 18.049 778 2HG ARG 18 2HG ARG 18 9.748 -3.039 17.241 779 1HD ARG 18 1HD ARG 18 8.915 -1.214 18.669 780 2HD ARG 18 2HD ARG 18 7.766 -2.330 19.445 781 HE ARG 18 HE ARG 18 10.336 -3.471 19.685 782 1HH1 ARG 18 1HH1 ARG 18 8.617 -0.650 20.892 783 2HH1 ARG 18 2HH1 ARG 18 9.546 -0.556 22.372 784 1HH2 ARG 18 1HH2 ARG 18 11.531 -3.351 21.584 785 2HH2 ARG 18 2HH2 ARG 18 11.211 -2.102 22.762 786 H LYS 19 H LYS 19 5.691 -4.972 16.152 787 HA LYS 19 HA LYS 19 6.914 -7.340 17.069 788 1HB LYS 19 1HB LYS 19 4.610 -6.802 17.557 789 2HB LYS 19 2HB LYS 19 4.173 -6.852 15.848 790 1HG LYS 19 1HG LYS 19 3.423 -8.853 17.036 791 2HG LYS 19 2HG LYS 19 4.553 -9.266 15.746 792 1HD LYS 19 1HD LYS 19 6.382 -9.544 17.397 793 2HD LYS 19 2HD LYS 19 5.305 -9.004 18.703 794 1HE LYS 19 1HE LYS 19 3.833 -10.963 18.280 795 2HE LYS 19 2HE LYS 19 4.881 -11.467 16.941 796 1HZ LYS 19 1HZ LYS 19 5.695 -11.250 19.755 797 2HZ LYS 19 2HZ LYS 19 5.378 -12.650 18.946 798 3HZ LYS 19 3HZ LYS 19 6.664 -11.719 18.507 799 H LEU 20 H LEU 20 5.588 -6.647 13.791 800 HA LEU 20 HA LEU 20 6.404 -9.125 12.617 801 1HB LEU 20 1HB LEU 20 5.934 -6.385 11.401 802 2HB LEU 20 2HB LEU 20 6.149 -7.866 10.458 803 HG LEU 20 HG LEU 20 3.934 -7.557 12.537 804 1HD1 LEU 20 1HD1 LEU 20 2.469 -7.126 10.561 805 2HD1 LEU 20 2HD1 LEU 20 3.666 -5.846 10.845 806 3HD1 LEU 20 3HD1 LEU 20 3.932 -7.027 9.552 807 1HD2 LEU 20 1HD2 LEU 20 4.415 -9.551 10.287 808 2HD2 LEU 20 2HD2 LEU 20 4.395 -9.894 12.026 809 3HD2 LEU 20 3HD2 LEU 20 2.906 -9.410 11.210 810 H LYS 21 H LYS 21 8.168 -5.973 12.753 811 HA LYS 21 HA LYS 21 10.488 -6.828 11.390 812 1HB LYS 21 1HB LYS 21 9.952 -4.507 12.077 813 2HB LYS 21 2HB LYS 21 10.291 -4.932 13.761 814 1HG LYS 21 1HG LYS 21 12.631 -5.340 13.265 815 2HG LYS 21 2HG LYS 21 12.324 -5.297 11.522 816 1HD LYS 21 1HD LYS 21 13.375 -3.213 12.240 817 2HD LYS 21 2HD LYS 21 11.742 -2.907 11.626 818 1HE LYS 21 1HE LYS 21 10.868 -2.703 13.908 819 2HE LYS 21 2HE LYS 21 12.437 -3.179 14.590 820 1HZ LYS 21 1HZ LYS 21 12.107 -0.813 14.615 821 2HZ LYS 21 2HZ LYS 21 13.370 -1.202 13.631 822 3HZ LYS 21 3HZ LYS 21 11.921 -0.778 12.977 823 H ASN 22 H ASN 22 9.641 -7.177 14.852 824 HA ASN 22 HA ASN 22 12.027 -8.648 15.563 825 1HB ASN 22 1HB ASN 22 9.359 -8.205 16.927 826 2HB ASN 22 2HB ASN 22 10.566 -9.318 17.576 827 1HD2 ASN 22 1HD2 ASN 22 10.136 -5.884 16.603 828 2HD2 ASN 22 2HD2 ASN 22 11.408 -5.312 17.691 829 H CYS 23 H CYS 23 9.307 -9.719 13.705 830 HA CYS 23 HA CYS 23 9.637 -12.555 14.265 831 1HB CYS 23 1HB CYS 23 7.654 -11.488 13.165 832 2HB CYS 23 2HB CYS 23 8.663 -11.224 11.728 833 H LYS 24 H LYS 24 11.325 -10.153 12.308 834 HA LYS 24 HA LYS 24 13.258 -10.100 11.237 835 1HB LYS 24 1HB LYS 24 13.886 -12.614 12.825 836 2HB LYS 24 2HB LYS 24 15.061 -11.626 11.945 837 1HG LYS 24 1HG LYS 24 14.499 -9.654 13.311 838 2HG LYS 24 2HG LYS 24 13.263 -10.583 14.167 839 1HD LYS 24 1HD LYS 24 14.991 -12.168 14.985 840 2HD LYS 24 2HD LYS 24 16.247 -11.191 14.194 841 1HE LYS 24 1HE LYS 24 15.560 -9.222 15.574 842 2HE LYS 24 2HE LYS 24 14.302 -10.206 16.347 843 1HZ LYS 24 1HZ LYS 24 16.016 -11.632 17.193 844 2HZ LYS 24 2HZ LYS 24 17.191 -10.726 16.477 845 3HZ LYS 24 3HZ LYS 24 16.268 -10.079 17.681 846 H VAL 25 H VAL 25 12.344 -13.571 11.053 847 HA VAL 25 HA VAL 25 13.601 -14.050 8.530 848 HB VAL 25 HB VAL 25 12.245 -16.048 8.394 849 1HG1 VAL 25 1HG1 VAL 25 12.932 -17.141 10.445 850 2HG1 VAL 25 2HG1 VAL 25 14.189 -15.997 9.945 851 3HG1 VAL 25 3HG1 VAL 25 13.097 -15.590 11.286 852 1HG2 VAL 25 1HG2 VAL 25 10.635 -14.960 10.744 853 2HG2 VAL 25 2HG2 VAL 25 10.040 -15.242 9.095 854 3HG2 VAL 25 3HG2 VAL 25 10.539 -16.606 10.097 Start of MODEL 16 1 1H GLU 1 1H GLU 1 10.726 8.706 8.503 2 2H GLU 1 2H GLU 1 9.564 9.101 7.401 3 3H GLU 1 3H GLU 1 9.537 7.625 8.131 4 HA GLU 1 HA GLU 1 9.093 8.573 10.229 5 1HB GLU 1 1HB GLU 1 8.662 11.017 10.423 6 2HB GLU 1 2HB GLU 1 10.343 10.600 10.069 7 1HG GLU 1 1HG GLU 1 10.078 11.231 7.719 8 2HG GLU 1 2HG GLU 1 8.339 11.472 7.939 9 H ASN 2 H ASN 2 6.975 8.477 10.903 10 HA ASN 2 HA ASN 2 4.967 8.034 8.890 11 1HB ASN 2 1HB ASN 2 5.047 6.836 11.055 12 2HB ASN 2 2HB ASN 2 4.654 8.328 11.909 13 1HD2 ASN 2 1HD2 ASN 2 2.441 9.388 11.222 14 2HD2 ASN 2 2HD2 ASN 2 1.194 8.235 10.793 15 H ARG 3 H ARG 3 3.440 9.414 8.060 16 HA ARG 3 HA ARG 3 3.295 12.196 9.150 17 1HB ARG 3 1HB ARG 3 2.687 11.349 6.318 18 2HB ARG 3 2HB ARG 3 2.776 12.974 6.994 19 1HG ARG 3 1HG ARG 3 5.038 11.013 6.471 20 2HG ARG 3 2HG ARG 3 4.744 12.578 5.718 21 1HD ARG 3 1HD ARG 3 5.792 12.021 8.508 22 2HD ARG 3 2HD ARG 3 6.556 12.865 7.195 23 HE ARG 3 HE ARG 3 4.990 14.688 7.377 24 1HH1 ARG 3 1HH1 ARG 3 5.220 12.638 10.298 25 2HH1 ARG 3 2HH1 ARG 3 5.014 14.014 11.359 26 1HH2 ARG 3 1HH2 ARG 3 4.605 16.345 8.778 27 2HH2 ARG 3 2HH2 ARG 3 4.570 16.086 10.510 28 H GLU 4 H GLU 4 0.994 10.342 7.074 29 HA GLU 4 HA GLU 4 -1.104 10.631 9.143 30 1HB GLU 4 1HB GLU 4 -0.969 12.825 8.018 31 2HB GLU 4 2HB GLU 4 -1.161 12.032 6.454 32 1HG GLU 4 1HG GLU 4 -3.272 13.017 7.140 33 2HG GLU 4 2HG GLU 4 -3.455 11.266 7.146 34 H VAL 5 H VAL 5 -1.158 8.366 9.127 35 HA VAL 5 HA VAL 5 -1.436 6.830 6.750 36 HB VAL 5 HB VAL 5 -0.432 6.015 8.784 37 1HG1 VAL 5 1HG1 VAL 5 -3.186 5.719 10.017 38 2HG1 VAL 5 2HG1 VAL 5 -1.614 5.287 10.707 39 3HG1 VAL 5 3HG1 VAL 5 -2.027 6.991 10.466 40 1HG2 VAL 5 1HG2 VAL 5 -2.836 4.357 7.940 41 2HG2 VAL 5 2HG2 VAL 5 -1.277 4.425 7.089 42 3HG2 VAL 5 3HG2 VAL 5 -1.365 3.753 8.726 43 HA PRO 6 HA PRO 6 -5.773 7.806 6.336 44 1HB PRO 6 1HB PRO 6 -6.329 6.791 3.879 45 2HB PRO 6 2HB PRO 6 -5.216 8.170 4.111 46 1HG PRO 6 1HG PRO 6 -4.463 5.238 3.864 47 2HG PRO 6 2HG PRO 6 -3.839 6.605 2.892 48 1HD PRO 6 1HD PRO 6 -2.522 5.674 5.087 49 2HD PRO 6 2HD PRO 6 -2.579 7.429 4.728 50 HA PRO 7 HA PRO 7 -8.178 4.253 7.763 51 1HB PRO 7 1HB PRO 7 -10.120 5.249 5.658 52 2HB PRO 7 2HB PRO 7 -10.481 4.646 7.304 53 1HG PRO 7 1HG PRO 7 -10.355 7.310 6.884 54 2HG PRO 7 2HG PRO 7 -9.502 6.615 8.295 55 1HD PRO 7 1HD PRO 7 -8.327 7.449 5.638 56 2HD PRO 7 2HD PRO 7 -7.726 7.716 7.305 57 H GLY 8 H GLY 8 -7.661 4.689 4.276 58 1HA GLY 8 1HA GLY 8 -8.289 2.222 3.163 59 2HA GLY 8 2HA GLY 8 -6.868 3.183 2.735 60 H PHE 9 H PHE 9 -5.490 3.003 5.270 61 HA PHE 9 HA PHE 9 -4.139 0.472 5.078 62 1HB PHE 9 1HB PHE 9 -3.024 2.405 5.999 63 2HB PHE 9 2HB PHE 9 -4.281 2.611 7.221 64 HD1 PHE 9 1HD PHE 9 -2.047 -0.201 6.069 65 HD2 PHE 9 2HD PHE 9 -3.669 2.013 9.394 66 HE1 PHE 9 1HE PHE 9 -0.863 -1.702 7.649 67 HE2 PHE 9 2HE PHE 9 -2.477 0.517 10.967 68 HZ PHE 9 HZ PHE 9 -1.102 -1.363 10.104 69 H THR 10 H THR 10 -6.617 1.693 7.410 70 HA THR 10 HA THR 10 -6.821 -0.675 8.956 71 HB THR 10 HB THR 10 -9.061 1.315 8.388 72 HG1 THR 10 1HG THR 10 -6.910 1.504 10.224 73 1HG2 THR 10 1HG2 THR 10 -8.320 -0.329 10.855 74 2HG2 THR 10 2HG2 THR 10 -9.653 0.836 10.733 75 3HG2 THR 10 3HG2 THR 10 -9.687 -0.650 9.765 76 H ALA 11 H ALA 11 -8.673 0.436 6.088 77 HA ALA 11 HA ALA 11 -10.387 -1.822 5.834 78 1HB ALA 11 1HB ALA 11 -10.675 0.328 4.640 79 2HB ALA 11 2HB ALA 11 -9.269 -0.054 3.623 80 3HB ALA 11 3HB ALA 11 -10.724 -1.070 3.550 81 H LEU 12 H LEU 12 -7.170 -1.235 4.336 82 HA LEU 12 HA LEU 12 -6.828 -3.695 3.011 83 1HB LEU 12 1HB LEU 12 -5.448 -1.736 2.752 84 2HB LEU 12 2HB LEU 12 -4.764 -1.912 4.364 85 HG LEU 12 HG LEU 12 -4.511 -4.086 2.260 86 1HD1 LEU 12 1HD1 LEU 12 -2.816 -1.626 2.765 87 2HD1 LEU 12 2HD1 LEU 12 -2.252 -3.016 1.812 88 3HD1 LEU 12 3HD1 LEU 12 -3.644 -2.067 1.258 89 1HD2 LEU 12 1HD2 LEU 12 -3.794 -4.874 4.485 90 2HD2 LEU 12 2HD2 LEU 12 -2.357 -4.540 3.540 91 3HD2 LEU 12 3HD2 LEU 12 -2.890 -3.370 4.760 92 H ILE 13 H ILE 13 -5.761 -2.868 6.373 93 HA ILE 13 HA ILE 13 -4.882 -5.476 7.057 94 HB ILE 13 HB ILE 13 -5.972 -3.192 8.728 95 1HG1 ILE 13 1HG1 ILE 13 -3.799 -2.805 7.554 96 2HG1 ILE 13 2HG1 ILE 13 -3.709 -2.731 9.310 97 1HG2 ILE 13 1HG2 ILE 13 -4.843 -5.841 9.680 98 2HG2 ILE 13 2HG2 ILE 13 -4.887 -4.373 10.682 99 3HG2 ILE 13 3HG2 ILE 13 -6.393 -5.089 10.105 100 1HD1 ILE 13 1HD1 ILE 13 -1.764 -3.878 8.409 101 2HD1 ILE 13 2HD1 ILE 13 -2.719 -5.025 9.351 102 3HD1 ILE 13 3HD1 ILE 13 -2.772 -5.062 7.574 103 H LYS 14 H LYS 14 -8.157 -4.062 7.565 104 HA LYS 14 HA LYS 14 -9.326 -6.374 8.732 105 1HB LYS 14 1HB LYS 14 -10.495 -4.133 7.047 106 2HB LYS 14 2HB LYS 14 -11.472 -5.419 7.779 107 1HG LYS 14 1HG LYS 14 -10.782 -4.798 10.019 108 2HG LYS 14 2HG LYS 14 -9.591 -3.655 9.395 109 1HD LYS 14 1HD LYS 14 -11.529 -2.431 10.171 110 2HD LYS 14 2HD LYS 14 -11.397 -2.266 8.413 111 1HE LYS 14 1HE LYS 14 -13.182 -3.942 8.095 112 2HE LYS 14 2HE LYS 14 -13.230 -4.258 9.841 113 1HZ LYS 14 1HZ LYS 14 -13.874 -1.706 8.535 114 2HZ LYS 14 2HZ LYS 14 -14.963 -2.782 9.144 115 3HZ LYS 14 3HZ LYS 14 -13.929 -1.995 10.155 116 H THR 15 H THR 15 -9.378 -5.415 5.255 117 HA THR 15 HA THR 15 -10.665 -7.775 4.332 118 HB THR 15 HB THR 15 -9.647 -7.217 2.104 119 HG1 THR 15 1HG THR 15 -8.640 -4.968 3.499 120 1HG2 THR 15 1HG2 THR 15 -11.820 -6.294 2.732 121 2HG2 THR 15 2HG2 THR 15 -11.040 -4.955 3.600 122 3HG2 THR 15 3HG2 THR 15 -10.870 -5.088 1.841 123 H LEU 16 H LEU 16 -7.142 -7.108 4.555 124 HA LEU 16 HA LEU 16 -6.161 -9.597 3.702 125 1HB LEU 16 1HB LEU 16 -4.866 -7.566 4.214 126 2HB LEU 16 2HB LEU 16 -5.081 -7.813 5.939 127 HG LEU 16 HG LEU 16 -3.698 -9.840 4.118 128 1HD1 LEU 16 1HD1 LEU 16 -2.480 -7.579 5.762 129 2HD1 LEU 16 2HD1 LEU 16 -1.574 -8.834 4.889 130 3HD1 LEU 16 3HD1 LEU 16 -2.542 -7.661 3.989 131 1HD2 LEU 16 1HD2 LEU 16 -3.716 -9.434 7.147 132 2HD2 LEU 16 2HD2 LEU 16 -4.253 -10.876 6.255 133 3HD2 LEU 16 3HD2 LEU 16 -2.549 -10.462 6.295 134 H ARG 17 H ARG 17 -6.843 -8.677 7.129 135 HA ARG 17 HA ARG 17 -6.404 -11.242 8.235 136 1HB ARG 17 1HB ARG 17 -8.101 -8.887 9.120 137 2HB ARG 17 2HB ARG 17 -7.937 -10.360 10.091 138 1HG ARG 17 1HG ARG 17 -5.501 -10.124 10.162 139 2HG ARG 17 2HG ARG 17 -5.577 -8.678 9.137 140 1HD ARG 17 1HD ARG 17 -6.941 -7.537 10.839 141 2HD ARG 17 2HD ARG 17 -6.850 -8.971 11.892 142 HE ARG 17 HE ARG 17 -4.212 -8.417 11.339 143 1HH1 ARG 17 1HH1 ARG 17 -6.837 -6.530 12.785 144 2HH1 ARG 17 2HH1 ARG 17 -5.718 -5.417 13.571 145 1HH2 ARG 17 1HH2 ARG 17 -2.834 -7.013 12.496 146 2HH2 ARG 17 2HH2 ARG 17 -3.543 -5.705 13.437 147 H LYS 18 H LYS 18 -9.476 -9.841 7.010 148 HA LYS 18 HA LYS 18 -11.120 -12.091 7.605 149 1HB LYS 18 1HB LYS 18 -11.301 -9.921 5.496 150 2HB LYS 18 2HB LYS 18 -12.535 -11.178 5.705 151 1HG LYS 18 1HG LYS 18 -12.958 -10.485 8.007 152 2HG LYS 18 2HG LYS 18 -11.604 -9.358 7.964 153 1HD LYS 18 1HD LYS 18 -13.581 -8.054 7.702 154 2HD LYS 18 2HD LYS 18 -12.765 -8.072 6.133 155 1HE LYS 18 1HE LYS 18 -14.358 -9.860 5.362 156 2HE LYS 18 2HE LYS 18 -15.125 -9.847 6.957 157 1HZ LYS 18 1HZ LYS 18 -16.317 -8.528 5.374 158 2HZ LYS 18 2HZ LYS 18 -15.727 -7.569 6.577 159 3HZ LYS 18 3HZ LYS 18 -15.002 -7.575 5.097 160 H CYS 19 H CYS 19 -9.351 -11.360 4.497 161 HA CYS 19 HA CYS 19 -10.178 -13.790 3.237 162 1HB CYS 19 1HB CYS 19 -9.080 -11.806 2.087 163 2HB CYS 19 2HB CYS 19 -7.538 -12.381 2.742 164 H LYS 20 H LYS 20 -7.331 -13.040 5.225 165 HA LYS 20 HA LYS 20 -6.162 -15.673 5.183 166 1HB LYS 20 1HB LYS 20 -4.997 -13.528 5.572 167 2HB LYS 20 2HB LYS 20 -5.857 -13.334 7.104 168 1HG LYS 20 1HG LYS 20 -4.726 -15.282 8.038 169 2HG LYS 20 2HG LYS 20 -3.973 -15.648 6.469 170 1HD LYS 20 1HD LYS 20 -2.792 -13.456 6.547 171 2HD LYS 20 2HD LYS 20 -3.561 -13.087 8.100 172 1HE LYS 20 1HE LYS 20 -1.690 -15.454 7.579 173 2HE LYS 20 2HE LYS 20 -1.219 -13.925 8.343 174 1HZ LYS 20 1HZ LYS 20 -1.694 -15.562 9.982 175 2HZ LYS 20 2HZ LYS 20 -2.834 -14.370 10.065 176 3HZ LYS 20 3HZ LYS 20 -3.205 -15.820 9.381 177 H ILE 21 H ILE 21 -9.069 -14.676 6.632 178 HA ILE 21 HA ILE 21 -10.442 -15.454 8.181 179 HB ILE 21 HB ILE 21 -8.591 -17.801 8.732 180 1HG1 ILE 21 1HG1 ILE 21 -9.053 -17.865 6.353 181 2HG1 ILE 21 2HG1 ILE 21 -9.965 -19.111 7.190 182 1HG2 ILE 21 1HG2 ILE 21 -10.243 -17.495 10.456 183 2HG2 ILE 21 2HG2 ILE 21 -11.543 -17.335 9.265 184 3HG2 ILE 21 3HG2 ILE 21 -10.697 -18.884 9.462 185 1HD1 ILE 21 1HD1 ILE 21 -12.023 -17.704 7.043 186 2HD1 ILE 21 2HD1 ILE 21 -11.091 -16.462 6.174 187 3HD1 ILE 21 3HD1 ILE 21 -11.321 -18.061 5.458 188 H ILE 22 H ILE 22 -7.119 -15.977 9.363 189 HA ILE 22 HA ILE 22 -7.727 -14.727 11.976 190 HB ILE 22 HB ILE 22 -5.093 -15.713 10.820 191 1HG1 ILE 22 1HG1 ILE 22 -6.553 -17.618 10.882 192 2HG1 ILE 22 2HG1 ILE 22 -5.390 -17.726 12.195 193 1HG2 ILE 22 1HG2 ILE 22 -4.401 -15.806 13.216 194 2HG2 ILE 22 2HG2 ILE 22 -4.725 -14.165 12.649 195 3HG2 ILE 22 3HG2 ILE 22 -5.917 -14.996 13.663 196 1HD1 ILE 22 1HD1 ILE 22 -7.144 -16.950 13.803 197 2HD1 ILE 22 2HD1 ILE 22 -8.317 -16.899 12.464 198 3HD1 ILE 22 3HD1 ILE 22 -7.590 -18.435 12.952 199 1H ASN 1 1H ASN 1 7.510 14.669 4.672 200 2H ASN 1 2H ASN 1 8.730 15.397 5.493 201 3H ASN 1 3H ASN 1 7.842 14.243 6.231 202 HA ASN 1 HA ASN 1 9.953 13.399 5.690 203 1HB ASN 1 1HB ASN 1 9.303 11.335 4.782 204 2HB ASN 1 2HB ASN 1 7.883 11.934 5.627 205 1HD2 ASN 1 1HD2 ASN 1 9.410 11.770 2.416 206 2HD2 ASN 1 2HD2 ASN 1 7.926 11.567 1.492 207 H LEU 2 H LEU 2 9.067 15.635 3.462 208 HA LEU 2 HA LEU 2 10.000 16.532 1.670 209 1HB LEU 2 1HB LEU 2 12.093 16.340 2.884 210 2HB LEU 2 2HB LEU 2 12.372 14.719 2.245 211 HG LEU 2 HG LEU 2 12.546 15.615 -0.053 212 1HD1 LEU 2 1HD1 LEU 2 12.198 18.329 1.305 213 2HD1 LEU 2 2HD1 LEU 2 12.791 18.091 -0.351 214 3HD1 LEU 2 3HD1 LEU 2 11.140 17.624 0.060 215 1HD2 LEU 2 1HD2 LEU 2 14.335 17.015 1.975 216 2HD2 LEU 2 2HD2 LEU 2 14.545 15.357 1.368 217 3HD2 LEU 2 3HD2 LEU 2 14.709 16.731 0.262 218 H VAL 3 H VAL 3 10.962 13.090 1.282 219 HA VAL 3 HA VAL 3 10.565 13.115 -1.566 220 HB VAL 3 HB VAL 3 10.809 10.673 -1.465 221 1HG1 VAL 3 1HG1 VAL 3 12.723 12.210 -1.707 222 2HG1 VAL 3 2HG1 VAL 3 12.907 12.274 0.058 223 3HG1 VAL 3 3HG1 VAL 3 13.170 10.750 -0.811 224 1HG2 VAL 3 1HG2 VAL 3 11.247 11.020 1.536 225 2HG2 VAL 3 2HG2 VAL 3 9.909 10.118 0.787 226 3HG2 VAL 3 3HG2 VAL 3 11.567 9.573 0.579 227 H SER 4 H SER 4 8.618 14.062 -1.856 228 HA SER 4 HA SER 4 6.210 13.130 -0.687 229 1HB SER 4 1HB SER 4 6.610 15.046 -3.016 230 2HB SER 4 2HB SER 4 5.144 14.888 -2.035 231 HG SER 4 HG SER 4 7.719 15.564 -0.977 232 H GLY 5 H GLY 5 6.837 10.807 -1.646 233 1HA GLY 5 1HA GLY 5 5.837 10.226 -4.321 234 2HA GLY 5 2HA GLY 5 6.248 9.061 -3.059 235 H LEU 6 H LEU 6 3.790 11.674 -3.193 236 HA LEU 6 HA LEU 6 1.922 10.322 -1.603 237 1HB LEU 6 1HB LEU 6 2.024 12.764 -1.986 238 2HB LEU 6 2HB LEU 6 1.500 12.549 -3.651 239 HG LEU 6 HG LEU 6 -0.692 11.648 -2.828 240 1HD1 LEU 6 1HD1 LEU 6 -0.103 10.727 -0.660 241 2HD1 LEU 6 2HD1 LEU 6 0.535 12.298 -0.116 242 3HD1 LEU 6 3HD1 LEU 6 -1.204 12.077 -0.370 243 1HD2 LEU 6 1HD2 LEU 6 0.103 14.354 -1.677 244 2HD2 LEU 6 2HD2 LEU 6 -0.406 14.046 -3.352 245 3HD2 LEU 6 3HD2 LEU 6 -1.551 13.805 -2.021 246 H ILE 7 H ILE 7 1.563 10.971 -5.107 247 HA ILE 7 HA ILE 7 -0.611 9.264 -5.561 248 HB ILE 7 HB ILE 7 -0.110 9.369 -7.887 249 1HG1 ILE 7 1HG1 ILE 7 2.277 9.046 -8.053 250 2HG1 ILE 7 2HG1 ILE 7 1.756 10.496 -8.885 251 1HG2 ILE 7 1HG2 ILE 7 -0.188 11.789 -8.194 252 2HG2 ILE 7 2HG2 ILE 7 -1.192 11.263 -6.834 253 3HG2 ILE 7 3HG2 ILE 7 0.364 12.049 -6.530 254 1HD1 ILE 7 1HD1 ILE 7 3.264 10.413 -6.238 255 2HD1 ILE 7 2HD1 ILE 7 3.844 10.945 -7.813 256 3HD1 ILE 7 3HD1 ILE 7 2.607 11.893 -6.981 257 H GLU 8 H GLU 8 2.861 8.466 -5.741 258 HA GLU 8 HA GLU 8 2.613 5.794 -6.656 259 1HB GLU 8 1HB GLU 8 4.709 7.081 -6.609 260 2HB GLU 8 2HB GLU 8 4.703 7.073 -4.838 261 1HG GLU 8 1HG GLU 8 4.866 4.574 -4.860 262 2HG GLU 8 2HG GLU 8 4.876 4.606 -6.631 263 H ALA 9 H ALA 9 2.941 6.995 -3.265 264 HA ALA 9 HA ALA 9 2.621 4.461 -2.041 265 1HB ALA 9 1HB ALA 9 2.003 7.193 -0.865 266 2HB ALA 9 2HB ALA 9 2.398 5.680 0.001 267 3HB ALA 9 3HB ALA 9 3.622 6.474 -0.999 268 H ARG 10 H ARG 10 0.179 7.006 -2.766 269 HA ARG 10 HA ARG 10 -2.101 5.646 -1.712 270 1HB ARG 10 1HB ARG 10 -1.760 7.662 -3.957 271 2HB ARG 10 2HB ARG 10 -3.336 7.020 -3.469 272 1HG ARG 10 1HG ARG 10 -3.028 7.830 -1.177 273 2HG ARG 10 2HG ARG 10 -1.428 8.478 -1.586 274 1HD ARG 10 1HD ARG 10 -2.432 9.984 -3.244 275 2HD ARG 10 2HD ARG 10 -4.040 9.283 -2.945 276 HE ARG 10 HE ARG 10 -3.033 10.184 -0.461 277 1HH1 ARG 10 1HH1 ARG 10 -4.084 11.587 -3.515 278 2HH1 ARG 10 2HH1 ARG 10 -4.673 13.059 -2.776 279 1HH2 ARG 10 1HH2 ARG 10 -3.811 12.030 0.478 280 2HH2 ARG 10 2HH2 ARG 10 -4.507 13.324 -0.477 281 H LYS 11 H LYS 11 -0.755 5.559 -5.082 282 HA LYS 11 HA LYS 11 -2.640 3.681 -6.086 283 1HB LYS 11 1HB LYS 11 0.225 4.329 -6.850 284 2HB LYS 11 2HB LYS 11 -0.731 3.138 -7.732 285 1HG LYS 11 1HG LYS 11 -1.694 5.992 -7.310 286 2HG LYS 11 2HG LYS 11 -0.673 5.508 -8.671 287 1HD LYS 11 1HD LYS 11 -2.378 3.794 -9.330 288 2HD LYS 11 2HD LYS 11 -3.453 4.379 -8.054 289 1HE LYS 11 1HE LYS 11 -2.385 6.057 -10.373 290 2HE LYS 11 2HE LYS 11 -3.999 5.338 -10.279 291 1HZ LYS 11 1HZ LYS 11 -2.918 7.345 -8.429 292 2HZ LYS 11 2HZ LYS 11 -4.038 7.609 -9.608 293 3HZ LYS 11 3HZ LYS 11 -4.407 6.649 -8.320 294 H TYR 12 H TYR 12 0.625 3.069 -4.744 295 HA TYR 12 HA TYR 12 0.686 0.271 -4.729 296 1HB TYR 12 1HB TYR 12 2.603 1.580 -4.212 297 2HB TYR 12 2HB TYR 12 1.788 2.413 -2.904 298 HD1 TYR 12 1HD TYR 12 2.030 1.720 -0.684 299 HD2 TYR 12 2HD TYR 12 3.095 -0.958 -3.889 300 HE1 TYR 12 1HE TYR 12 3.032 0.149 0.958 301 HE2 TYR 12 2HE TYR 12 4.173 -2.483 -2.240 302 HH TYR 12 HH TYR 12 3.907 -1.942 1.249 303 H LEU 13 H LEU 13 -0.435 2.350 -2.016 304 HA LEU 13 HA LEU 13 -1.517 0.392 -0.327 305 1HB LEU 13 1HB LEU 13 -1.276 2.706 0.356 306 2HB LEU 13 2HB LEU 13 -2.355 3.250 -0.925 307 HG LEU 13 HG LEU 13 -4.279 2.137 0.165 308 1HD1 LEU 13 1HD1 LEU 13 -3.079 0.333 1.379 309 2HD1 LEU 13 2HD1 LEU 13 -2.306 1.551 2.422 310 3HD1 LEU 13 3HD1 LEU 13 -4.063 1.307 2.475 311 1HD2 LEU 13 1HD2 LEU 13 -3.742 4.500 0.615 312 2HD2 LEU 13 2HD2 LEU 13 -4.462 3.706 2.027 313 3HD2 LEU 13 3HD2 LEU 13 -2.712 4.012 1.979 314 H GLU 14 H GLU 14 -3.248 2.182 -2.941 315 HA GLU 14 HA GLU 14 -5.648 0.695 -2.634 316 1HB GLU 14 1HB GLU 14 -4.565 2.454 -4.829 317 2HB GLU 14 2HB GLU 14 -6.115 1.617 -5.004 318 1HG GLU 14 1HG GLU 14 -5.460 3.419 -2.625 319 2HG GLU 14 2HG GLU 14 -6.302 3.961 -4.079 320 H GLN 15 H GLN 15 -2.806 -0.068 -4.670 321 HA GLN 15 HA GLN 15 -4.086 -2.224 -6.096 322 1HB GLN 15 1HB GLN 15 -1.147 -2.048 -5.291 323 2HB GLN 15 2HB GLN 15 -1.876 -3.120 -6.482 324 1HG GLN 15 1HG GLN 15 -1.138 -0.248 -6.735 325 2HG GLN 15 2HG GLN 15 -0.982 -1.567 -7.870 326 1HE2 GLN 15 1HE2 GLN 15 -3.067 0.981 -6.701 327 2HE2 GLN 15 2HE2 GLN 15 -4.274 0.822 -7.991 328 H LEU 16 H LEU 16 -2.078 -2.224 -3.120 329 HA LEU 16 HA LEU 16 -2.454 -4.979 -2.478 330 1HB LEU 16 1HB LEU 16 -2.021 -2.544 -0.709 331 2HB LEU 16 2HB LEU 16 -1.937 -4.217 -0.131 332 HG LEU 16 HG LEU 16 -0.155 -3.187 -2.383 333 1HD1 LEU 16 1HD1 LEU 16 0.292 -3.203 0.625 334 2HD1 LEU 16 2HD1 LEU 16 1.580 -3.009 -0.583 335 3HD1 LEU 16 3HD1 LEU 16 0.292 -1.795 -0.464 336 1HD2 LEU 16 1HD2 LEU 16 1.258 -5.105 -1.691 337 2HD2 LEU 16 2HD2 LEU 16 0.051 -5.569 -0.477 338 3HD2 LEU 16 3HD2 LEU 16 -0.338 -5.660 -2.209 339 H HIS 17 H HIS 17 -4.279 -2.144 -1.252 340 HA HIS 17 HA HIS 17 -6.200 -3.472 0.270 341 1HB HIS 17 1HB HIS 17 -5.819 -1.070 0.313 342 2HB HIS 17 2HB HIS 17 -6.350 -0.932 -1.363 343 HD1 HIS 17 1HD HIS 17 -8.253 0.773 -0.794 344 HD2 HIS 17 2HD HIS 17 -8.488 -2.954 1.172 345 HE1 HIS 17 1HE HIS 17 -10.582 0.631 0.256 346 H ARG 18 H ARG 18 -6.632 -2.479 -3.223 347 HA ARG 18 HA ARG 18 -9.198 -3.697 -3.370 348 1HB ARG 18 1HB ARG 18 -9.226 -3.221 -5.645 349 2HB ARG 18 2HB ARG 18 -8.298 -1.921 -4.891 350 1HG ARG 18 1HG ARG 18 -6.195 -3.166 -5.598 351 2HG ARG 18 2HG ARG 18 -7.219 -4.295 -6.491 352 1HD ARG 18 1HD ARG 18 -8.092 -2.403 -7.860 353 2HD ARG 18 2HD ARG 18 -7.127 -1.277 -6.899 354 HE ARG 18 HE ARG 18 -5.262 -1.794 -8.122 355 1HH1 ARG 18 1HH1 ARG 18 -7.554 -4.420 -8.646 356 2HH1 ARG 18 2HH1 ARG 18 -6.556 -5.196 -9.856 357 1HH2 ARG 18 1HH2 ARG 18 -4.033 -2.736 -9.606 358 2HH2 ARG 18 2HH2 ARG 18 -4.509 -4.220 -10.431 359 H LYS 19 H LYS 19 -5.944 -5.043 -4.161 360 HA LYS 19 HA LYS 19 -6.938 -7.554 -5.151 361 1HB LYS 19 1HB LYS 19 -4.307 -6.747 -3.870 362 2HB LYS 19 2HB LYS 19 -4.618 -8.354 -4.550 363 1HG LYS 19 1HG LYS 19 -5.029 -7.452 -6.760 364 2HG LYS 19 2HG LYS 19 -4.976 -5.789 -6.162 365 1HD LYS 19 1HD LYS 19 -2.601 -6.113 -5.474 366 2HD LYS 19 2HD LYS 19 -2.638 -7.748 -6.168 367 1HE LYS 19 1HE LYS 19 -3.203 -6.774 -8.396 368 2HE LYS 19 2HE LYS 19 -3.184 -5.147 -7.692 369 1HZ LYS 19 1HZ LYS 19 -1.125 -5.667 -8.772 370 2HZ LYS 19 2HZ LYS 19 -0.878 -5.476 -7.153 371 3HZ LYS 19 3HZ LYS 19 -0.896 -6.986 -7.811 372 H LEU 20 H LEU 20 -5.921 -6.558 -1.848 373 HA LEU 20 HA LEU 20 -6.583 -9.053 -0.601 374 1HB LEU 20 1HB LEU 20 -6.210 -6.253 0.481 375 2HB LEU 20 2HB LEU 20 -6.452 -7.664 1.514 376 HG LEU 20 HG LEU 20 -4.219 -7.604 -0.569 377 1HD1 LEU 20 1HD1 LEU 20 -2.698 -6.954 1.291 378 2HD1 LEU 20 2HD1 LEU 20 -3.831 -5.681 0.829 379 3HD1 LEU 20 3HD1 LEU 20 -4.122 -6.622 2.303 380 1HD2 LEU 20 1HD2 LEU 20 -4.611 -9.188 2.001 381 2HD2 LEU 20 2HD2 LEU 20 -4.762 -9.836 0.357 382 3HD2 LEU 20 3HD2 LEU 20 -3.194 -9.272 0.940 383 H LYS 21 H LYS 21 -8.601 -6.232 -1.350 384 HA LYS 21 HA LYS 21 -10.951 -7.247 -0.011 385 1HB LYS 21 1HB LYS 21 -10.581 -4.899 -0.757 386 2HB LYS 21 2HB LYS 21 -10.766 -5.425 -2.437 387 1HG LYS 21 1HG LYS 21 -13.072 -6.194 -1.950 388 2HG LYS 21 2HG LYS 21 -12.861 -5.740 -0.246 389 1HD LYS 21 1HD LYS 21 -12.493 -3.366 -0.921 390 2HD LYS 21 2HD LYS 21 -12.640 -3.828 -2.622 391 1HE LYS 21 1HE LYS 21 -14.742 -2.859 -1.890 392 2HE LYS 21 2HE LYS 21 -14.989 -4.582 -2.215 393 1HZ LYS 21 1HZ LYS 21 -14.835 -4.977 0.138 394 2HZ LYS 21 2HZ LYS 21 -14.561 -3.380 0.437 395 3HZ LYS 21 3HZ LYS 21 -16.013 -3.868 -0.170 396 H ASN 22 H ASN 22 -9.787 -7.538 -3.412 397 HA ASN 22 HA ASN 22 -11.908 -9.207 -4.320 398 1HB ASN 22 1HB ASN 22 -10.113 -7.855 -5.614 399 2HB ASN 22 2HB ASN 22 -9.084 -9.277 -5.433 400 1HD2 ASN 22 1HD2 ASN 22 -11.272 -11.311 -5.840 401 2HD2 ASN 22 2HD2 ASN 22 -11.718 -11.089 -7.528 402 H CYS 23 H CYS 23 -8.921 -9.975 -2.655 403 HA CYS 23 HA CYS 23 -8.344 -12.555 -3.042 404 1HB CYS 23 1HB CYS 23 -7.200 -11.018 -1.588 405 2HB CYS 23 2HB CYS 23 -8.490 -11.117 -0.379 406 H LYS 24 H LYS 24 -11.294 -11.608 -1.307 407 HA LYS 24 HA LYS 24 -11.850 -14.281 -0.269 408 1HB LYS 24 1HB LYS 24 -13.675 -11.862 -0.580 409 2HB LYS 24 2HB LYS 24 -14.033 -13.356 0.283 410 1HG LYS 24 1HG LYS 24 -13.482 -11.939 1.980 411 2HG LYS 24 2HG LYS 24 -11.984 -12.851 1.767 412 1HD LYS 24 1HD LYS 24 -10.930 -10.967 0.631 413 2HD LYS 24 2HD LYS 24 -12.484 -10.134 0.447 414 1HE LYS 24 1HE LYS 24 -11.234 -10.759 3.142 415 2HE LYS 24 2HE LYS 24 -10.913 -9.274 2.235 416 1HZ LYS 24 1HZ LYS 24 -12.670 -8.967 3.811 417 2HZ LYS 24 2HZ LYS 24 -13.243 -8.793 2.273 418 3HZ LYS 24 3HZ LYS 24 -13.563 -10.167 3.122 419 H VAL 25 H VAL 25 -11.266 -15.012 -2.647 420 HA VAL 25 HA VAL 25 -13.364 -14.824 -4.628 421 HB VAL 25 HB VAL 25 -12.058 -16.458 -5.882 422 1HG1 VAL 25 1HG1 VAL 25 -10.062 -15.107 -6.202 423 2HG1 VAL 25 2HG1 VAL 25 -11.459 -14.051 -5.933 424 3HG1 VAL 25 3HG1 VAL 25 -10.283 -14.320 -4.630 425 1HG2 VAL 25 1HG2 VAL 25 -9.914 -17.316 -5.054 426 2HG2 VAL 25 2HG2 VAL 25 -10.203 -16.603 -3.459 427 3HG2 VAL 25 3HG2 VAL 25 -11.243 -17.915 -4.053 428 1H GLU 1 1H GLU 1 2.945 15.169 6.190 429 2H GLU 1 2H GLU 1 1.694 14.338 5.532 430 3H GLU 1 3H GLU 1 1.426 15.820 6.209 431 HA GLU 1 HA GLU 1 1.379 15.897 3.843 432 1HB GLU 1 1HB GLU 1 2.549 17.901 3.609 433 2HB GLU 1 2HB GLU 1 2.139 17.804 5.312 434 1HG GLU 1 1HG GLU 1 4.883 17.391 4.045 435 2HG GLU 1 2HG GLU 1 4.366 18.664 5.138 436 H ASN 2 H ASN 2 3.579 16.587 2.237 437 HA ASN 2 HA ASN 2 4.788 15.640 0.598 438 1HB ASN 2 1HB ASN 2 6.068 14.332 3.022 439 2HB ASN 2 2HB ASN 2 6.778 14.267 1.399 440 1HD2 ASN 2 1HD2 ASN 2 6.627 16.771 0.393 441 2HD2 ASN 2 2HD2 ASN 2 7.399 17.915 1.497 442 H ARG 3 H ARG 3 5.141 12.545 2.317 443 HA ARG 3 HA ARG 3 3.973 11.167 -0.008 444 1HB ARG 3 1HB ARG 3 6.070 10.494 1.201 445 2HB ARG 3 2HB ARG 3 5.060 10.013 2.577 446 1HG ARG 3 1HG ARG 3 3.919 8.336 1.120 447 2HG ARG 3 2HG ARG 3 4.908 8.866 -0.254 448 1HD ARG 3 1HD ARG 3 6.969 8.303 1.008 449 2HD ARG 3 2HD ARG 3 6.003 7.765 2.377 450 HE ARG 3 HE ARG 3 6.427 6.417 -0.222 451 1HH1 ARG 3 1HH1 ARG 3 4.406 6.361 2.661 452 2HH1 ARG 3 2HH1 ARG 3 4.466 4.617 2.824 453 1HH2 ARG 3 1HH2 ARG 3 6.378 4.190 -0.110 454 2HH2 ARG 3 2HH2 ARG 3 5.573 3.356 1.198 455 H GLU 4 H GLU 4 2.969 12.176 3.186 456 HA GLU 4 HA GLU 4 1.106 11.968 4.410 457 1HB GLU 4 1HB GLU 4 0.049 12.640 2.260 458 2HB GLU 4 2HB GLU 4 -0.262 10.935 1.893 459 1HG GLU 4 1HG GLU 4 -1.615 10.770 4.011 460 2HG GLU 4 2HG GLU 4 -1.356 12.511 4.253 461 H VAL 5 H VAL 5 0.881 9.116 2.292 462 HA VAL 5 HA VAL 5 0.202 7.208 4.334 463 HB VAL 5 HB VAL 5 1.465 6.899 1.595 464 1HG1 VAL 5 1HG1 VAL 5 0.123 4.796 3.359 465 2HG1 VAL 5 2HG1 VAL 5 0.662 4.551 1.688 466 3HG1 VAL 5 3HG1 VAL 5 1.854 4.859 2.956 467 1HG2 VAL 5 1HG2 VAL 5 -1.436 6.637 2.478 468 2HG2 VAL 5 2HG2 VAL 5 -0.770 7.926 1.452 469 3HG2 VAL 5 3HG2 VAL 5 -0.816 6.263 0.857 470 HA PRO 6 HA PRO 6 4.275 7.500 6.035 471 1HB PRO 6 1HB PRO 6 4.230 5.648 8.029 472 2HB PRO 6 2HB PRO 6 3.158 7.086 8.001 473 1HG PRO 6 1HG PRO 6 2.432 4.322 7.013 474 2HG PRO 6 2HG PRO 6 1.597 5.288 8.254 475 1HD PRO 6 1HD PRO 6 0.794 5.390 5.674 476 2HD PRO 6 2HD PRO 6 0.892 6.906 6.629 477 HA PRO 7 HA PRO 7 6.932 4.347 4.001 478 1HB PRO 7 1HB PRO 7 8.653 5.138 6.368 479 2HB PRO 7 2HB PRO 7 9.152 4.837 4.678 480 1HG PRO 7 1HG PRO 7 8.847 7.385 5.531 481 2HG PRO 7 2HG PRO 7 8.141 6.903 3.958 482 1HD PRO 7 1HD PRO 7 6.730 7.144 6.629 483 2HD PRO 7 2HD PRO 7 6.238 7.771 5.024 484 H GLY 8 H GLY 8 6.371 4.558 7.506 485 1HA GLY 8 1HA GLY 8 6.798 2.059 8.532 486 2HA GLY 8 2HA GLY 8 5.420 3.075 8.956 487 H PHE 9 H PHE 9 4.075 2.933 6.339 488 HA PHE 9 HA PHE 9 2.633 0.429 6.715 489 1HB PHE 9 1HB PHE 9 1.396 2.314 5.973 490 2HB PHE 9 2HB PHE 9 2.541 2.668 4.682 491 HD1 PHE 9 1HD PHE 9 1.741 2.291 2.545 492 HD2 PHE 9 2HD PHE 9 0.534 -0.343 5.740 493 HE1 PHE 9 1HE PHE 9 0.422 0.947 0.943 494 HE2 PHE 9 2HE PHE 9 -0.772 -1.696 4.121 495 HZ PHE 9 HZ PHE 9 -0.764 -1.087 1.702 496 H THR 10 H THR 10 4.873 1.660 4.176 497 HA THR 10 HA THR 10 5.007 -0.755 2.668 498 HB THR 10 HB THR 10 7.140 1.395 3.016 499 HG1 THR 10 1HG THR 10 5.024 1.153 1.141 500 1HG2 THR 10 1HG2 THR 10 7.761 0.733 0.706 501 2HG2 THR 10 2HG2 THR 10 7.987 -0.611 1.837 502 3HG2 THR 10 3HG2 THR 10 6.578 -0.589 0.756 503 H ALA 11 H ALA 11 7.005 0.441 5.397 504 HA ALA 11 HA ALA 11 8.722 -1.799 5.659 505 1HB ALA 11 1HB ALA 11 9.008 0.382 6.818 506 2HB ALA 11 2HB ALA 11 7.644 -0.029 7.883 507 3HB ALA 11 3HB ALA 11 9.119 -1.011 7.912 508 H LEU 12 H LEU 12 5.466 -1.252 7.139 509 HA LEU 12 HA LEU 12 5.252 -3.681 8.528 510 1HB LEU 12 1HB LEU 12 3.738 -1.780 8.703 511 2HB LEU 12 2HB LEU 12 3.001 -2.167 7.149 512 HG LEU 12 HG LEU 12 3.140 -4.263 9.318 513 1HD1 LEU 12 1HD1 LEU 12 0.923 -3.437 10.136 514 2HD1 LEU 12 2HD1 LEU 12 2.254 -2.315 10.465 515 3HD1 LEU 12 3HD1 LEU 12 1.133 -1.998 9.120 516 1HD2 LEU 12 1HD2 LEU 12 1.082 -3.649 7.138 517 2HD2 LEU 12 2HD2 LEU 12 2.238 -4.997 7.112 518 3HD2 LEU 12 3HD2 LEU 12 0.960 -4.964 8.320 519 H ILE 13 H ILE 13 4.281 -3.028 5.101 520 HA ILE 13 HA ILE 13 3.631 -5.743 4.483 521 HB ILE 13 HB ILE 13 4.389 -3.346 2.848 522 1HG1 ILE 13 1HG1 ILE 13 2.267 -3.914 1.720 523 2HG1 ILE 13 2HG1 ILE 13 2.107 -5.377 2.696 524 1HG2 ILE 13 1HG2 ILE 13 5.678 -5.022 1.642 525 2HG2 ILE 13 2HG2 ILE 13 4.334 -6.188 1.745 526 3HG2 ILE 13 3HG2 ILE 13 4.190 -4.732 0.753 527 1HD1 ILE 13 1HD1 ILE 13 2.087 -2.516 3.739 528 2HD1 ILE 13 2HD1 ILE 13 0.669 -3.557 3.493 529 3HD1 ILE 13 3HD1 ILE 13 1.856 -3.977 4.733 530 H LYS 14 H LYS 14 6.840 -4.121 4.103 531 HA LYS 14 HA LYS 14 8.154 -6.451 3.121 532 1HB LYS 14 1HB LYS 14 9.250 -4.109 4.722 533 2HB LYS 14 2HB LYS 14 10.256 -5.327 3.949 534 1HG LYS 14 1HG LYS 14 8.373 -3.377 2.554 535 2HG LYS 14 2HG LYS 14 10.130 -3.313 2.584 536 1HD LYS 14 1HD LYS 14 8.390 -5.395 1.176 537 2HD LYS 14 2HD LYS 14 9.368 -4.129 0.442 538 1HE LYS 14 1HE LYS 14 11.437 -5.192 1.398 539 2HE LYS 14 2HE LYS 14 10.436 -6.529 2.001 540 1HZ LYS 14 1HZ LYS 14 11.410 -7.047 -0.097 541 2HZ LYS 14 2HZ LYS 14 9.770 -6.972 -0.242 542 3HZ LYS 14 3HZ LYS 14 10.705 -5.740 -0.810 543 H THR 15 H THR 15 7.993 -5.314 6.507 544 HA THR 15 HA THR 15 9.413 -7.511 7.649 545 HB THR 15 HB THR 15 8.279 -6.856 9.771 546 HG1 THR 15 1HG THR 15 7.110 -4.831 8.181 547 1HG2 THR 15 1HG2 THR 15 10.370 -5.764 9.140 548 2HG2 THR 15 2HG2 THR 15 9.509 -4.599 8.117 549 3HG2 THR 15 3HG2 THR 15 9.271 -4.576 9.869 550 H LEU 16 H LEU 16 5.855 -7.058 7.252 551 HA LEU 16 HA LEU 16 5.012 -9.574 8.183 552 1HB LEU 16 1HB LEU 16 3.571 -7.707 7.549 553 2HB LEU 16 2HB LEU 16 3.904 -7.955 5.841 554 HG LEU 16 HG LEU 16 2.710 -10.176 7.553 555 1HD1 LEU 16 1HD1 LEU 16 1.316 -8.176 7.906 556 2HD1 LEU 16 2HD1 LEU 16 1.211 -7.924 6.150 557 3HD1 LEU 16 3HD1 LEU 16 0.469 -9.356 6.896 558 1HD2 LEU 16 1HD2 LEU 16 3.363 -10.898 5.285 559 2HD2 LEU 16 2HD2 LEU 16 1.612 -10.774 5.368 560 3HD2 LEU 16 3HD2 LEU 16 2.544 -9.492 4.576 561 H ARG 17 H ARG 17 5.924 -8.738 4.784 562 HA ARG 17 HA ARG 17 5.753 -11.354 3.767 563 1HB ARG 17 1HB ARG 17 7.415 -8.941 2.991 564 2HB ARG 17 2HB ARG 17 7.556 -10.442 2.091 565 1HG ARG 17 1HG ARG 17 4.912 -8.995 2.548 566 2HG ARG 17 2HG ARG 17 5.946 -8.739 1.142 567 1HD ARG 17 1HD ARG 17 4.621 -11.404 1.873 568 2HD ARG 17 2HD ARG 17 4.104 -10.272 0.649 569 HE ARG 17 HE ARG 17 5.863 -10.813 -0.755 570 1HH1 ARG 17 1HH1 ARG 17 6.263 -12.647 2.271 571 2HH1 ARG 17 2HH1 ARG 17 7.297 -13.831 1.510 572 1HH2 ARG 17 1HH2 ARG 17 7.182 -12.395 -1.658 573 2HH2 ARG 17 2HH2 ARG 17 7.802 -13.691 -0.657 574 H LYS 18 H LYS 18 8.641 -9.782 5.224 575 HA LYS 18 HA LYS 18 10.399 -12.000 4.950 576 1HB LYS 18 1HB LYS 18 10.256 -9.776 7.010 577 2HB LYS 18 2HB LYS 18 11.568 -10.960 6.946 578 1HG LYS 18 1HG LYS 18 12.213 -10.280 4.720 579 2HG LYS 18 2HG LYS 18 10.810 -9.214 4.569 580 1HD LYS 18 1HD LYS 18 11.630 -7.839 6.471 581 2HD LYS 18 2HD LYS 18 13.054 -8.890 6.616 582 1HE LYS 18 1HE LYS 18 13.727 -8.290 4.293 583 2HE LYS 18 2HE LYS 18 12.292 -7.258 4.142 584 1HZ LYS 18 1HZ LYS 18 13.133 -5.930 5.941 585 2HZ LYS 18 2HZ LYS 18 14.465 -6.890 6.085 586 3HZ LYS 18 3HZ LYS 18 14.233 -6.001 4.716 587 H CYS 19 H CYS 19 8.327 -11.174 7.806 588 HA CYS 19 HA CYS 19 9.004 -13.524 9.291 589 1HB CYS 19 1HB CYS 19 8.117 -11.730 10.466 590 2HB CYS 19 2HB CYS 19 6.683 -11.605 9.434 591 H LYS 20 H LYS 20 6.248 -12.993 7.047 592 HA LYS 20 HA LYS 20 5.255 -15.712 7.496 593 1HB LYS 20 1HB LYS 20 4.507 -13.679 5.371 594 2HB LYS 20 2HB LYS 20 3.608 -15.144 5.783 595 1HG LYS 20 1HG LYS 20 4.062 -12.748 7.613 596 2HG LYS 20 2HG LYS 20 2.574 -13.142 6.758 597 1HD LYS 20 1HD LYS 20 2.374 -15.249 8.057 598 2HD LYS 20 2HD LYS 20 3.863 -14.868 8.940 599 1HE LYS 20 1HE LYS 20 1.381 -13.102 8.961 600 2HE LYS 20 2HE LYS 20 1.814 -14.280 10.213 601 1HZ LYS 20 1HZ LYS 20 3.870 -13.076 10.537 602 2HZ LYS 20 2HZ LYS 20 3.411 -11.944 9.435 603 3HZ LYS 20 3HZ LYS 20 2.553 -12.128 10.829 604 H ILE 21 H ILE 21 7.544 -14.300 5.270 605 HA ILE 21 HA ILE 21 9.000 -15.193 3.859 606 HB ILE 21 HB ILE 21 8.049 -17.959 4.704 607 1HG1 ILE 21 1HG1 ILE 21 10.371 -16.241 5.707 608 2HG1 ILE 21 2HG1 ILE 21 8.883 -16.561 6.603 609 1HG2 ILE 21 1HG2 ILE 21 9.268 -17.920 2.530 610 2HG2 ILE 21 2HG2 ILE 21 10.605 -17.057 3.314 611 3HG2 ILE 21 3HG2 ILE 21 10.192 -18.718 3.790 612 1HD1 ILE 21 1HD1 ILE 21 10.998 -18.606 5.870 613 2HD1 ILE 21 2HD1 ILE 21 10.533 -18.019 7.471 614 3HD1 ILE 21 3HD1 ILE 21 9.396 -19.012 6.539 615 H ILE 22 H ILE 22 6.039 -17.177 3.565 616 HA ILE 22 HA ILE 22 6.053 -17.267 0.675 617 HB ILE 22 HB ILE 22 3.799 -17.672 2.680 618 1HG1 ILE 22 1HG1 ILE 22 5.629 -19.693 1.294 619 2HG1 ILE 22 2HG1 ILE 22 5.730 -19.221 2.995 620 1HG2 ILE 22 1HG2 ILE 22 2.944 -17.207 0.382 621 2HG2 ILE 22 2HG2 ILE 22 3.987 -18.494 -0.257 622 3HG2 ILE 22 3HG2 ILE 22 2.646 -18.869 0.846 623 1HD1 ILE 22 1HD1 ILE 22 3.459 -20.754 1.698 624 2HD1 ILE 22 2HD1 ILE 22 4.598 -21.297 2.933 625 3HD1 ILE 22 3HD1 ILE 22 3.391 -20.061 3.339 626 1H ASN 1 1H ASN 1 -9.481 11.437 10.429 627 2H ASN 1 2H ASN 1 -9.540 9.800 10.236 628 3H ASN 1 3H ASN 1 -10.518 10.533 11.338 629 HA ASN 1 HA ASN 1 -8.730 9.390 12.400 630 1HB ASN 1 1HB ASN 1 -7.005 11.250 10.711 631 2HB ASN 1 2HB ASN 1 -6.411 10.323 12.097 632 1HD2 ASN 1 1HD2 ASN 1 -5.020 9.804 9.968 633 2HD2 ASN 1 2HD2 ASN 1 -5.456 8.244 9.295 634 H LEU 2 H LEU 2 -8.166 12.870 11.753 635 HA LEU 2 HA LEU 2 -7.773 14.621 13.127 636 1HB LEU 2 1HB LEU 2 -9.526 13.234 15.213 637 2HB LEU 2 2HB LEU 2 -8.979 14.896 15.230 638 HG LEU 2 HG LEU 2 -11.206 14.938 14.618 639 1HD1 LEU 2 1HD1 LEU 2 -9.714 16.498 13.383 640 2HD1 LEU 2 2HD1 LEU 2 -9.679 15.355 12.018 641 3HD1 LEU 2 3HD1 LEU 2 -11.206 16.108 12.505 642 1HD2 LEU 2 1HD2 LEU 2 -10.809 13.135 12.211 643 2HD2 LEU 2 2HD2 LEU 2 -11.414 12.573 13.790 644 3HD2 LEU 2 3HD2 LEU 2 -12.306 13.796 12.869 645 H VAL 3 H VAL 3 -6.896 15.126 15.552 646 HA VAL 3 HA VAL 3 -4.348 13.949 15.606 647 HB VAL 3 HB VAL 3 -4.034 15.038 17.773 648 1HG1 VAL 3 1HG1 VAL 3 -5.514 16.802 15.775 649 2HG1 VAL 3 2HG1 VAL 3 -4.337 17.322 16.995 650 3HG1 VAL 3 3HG1 VAL 3 -3.815 16.295 15.651 651 1HG2 VAL 3 1HG2 VAL 3 -6.201 14.744 18.873 652 2HG2 VAL 3 2HG2 VAL 3 -5.825 16.460 18.734 653 3HG2 VAL 3 3HG2 VAL 3 -7.006 15.734 17.633 654 H SER 4 H SER 4 -7.214 13.042 17.516 655 HA SER 4 HA SER 4 -6.066 11.118 19.259 656 1HB SER 4 1HB SER 4 -8.471 10.283 19.271 657 2HB SER 4 2HB SER 4 -8.256 12.005 19.643 658 HG SER 4 HG SER 4 -9.921 11.612 18.035 659 H GLY 5 H GLY 5 -7.995 10.516 16.294 660 1HA GLY 5 1HA GLY 5 -7.390 7.793 15.957 661 2HA GLY 5 2HA GLY 5 -7.792 8.881 14.631 662 H LEU 6 H LEU 6 -5.554 10.644 14.699 663 HA LEU 6 HA LEU 6 -3.605 9.168 13.301 664 1HB LEU 6 1HB LEU 6 -3.905 11.551 12.997 665 2HB LEU 6 2HB LEU 6 -3.394 11.873 14.659 666 HG LEU 6 HG LEU 6 -1.130 11.068 14.171 667 1HD1 LEU 6 1HD1 LEU 6 -2.237 10.543 11.380 668 2HD1 LEU 6 2HD1 LEU 6 -0.508 10.624 11.741 669 3HD1 LEU 6 3HD1 LEU 6 -1.495 9.357 12.469 670 1HD2 LEU 6 1HD2 LEU 6 -1.682 13.434 13.792 671 2HD2 LEU 6 2HD2 LEU 6 -0.450 12.873 12.647 672 3HD2 LEU 6 3HD2 LEU 6 -2.132 13.071 12.113 673 H ILE 7 H ILE 7 -3.310 10.425 16.740 674 HA ILE 7 HA ILE 7 -0.791 9.096 17.069 675 HB ILE 7 HB ILE 7 -0.939 9.443 19.414 676 1HG1 ILE 7 1HG1 ILE 7 -3.775 10.458 19.011 677 2HG1 ILE 7 2HG1 ILE 7 -3.313 8.966 19.841 678 1HG2 ILE 7 1HG2 ILE 7 -1.902 11.908 17.917 679 2HG2 ILE 7 2HG2 ILE 7 -0.876 11.852 19.363 680 3HG2 ILE 7 3HG2 ILE 7 -0.263 11.242 17.827 681 1HD1 ILE 7 1HD1 ILE 7 -3.764 10.619 21.499 682 2HD1 ILE 7 2HD1 ILE 7 -2.014 10.322 21.491 683 3HD1 ILE 7 3HD1 ILE 7 -2.681 11.794 20.739 684 H GLU 8 H GLU 8 -4.100 7.923 17.831 685 HA GLU 8 HA GLU 8 -3.204 5.425 18.929 686 1HB GLU 8 1HB GLU 8 -5.789 6.166 17.497 687 2HB GLU 8 2HB GLU 8 -5.516 4.647 18.367 688 1HG GLU 8 1HG GLU 8 -5.457 7.440 19.612 689 2HG GLU 8 2HG GLU 8 -6.737 6.240 19.783 690 H ALA 9 H ALA 9 -4.006 6.313 15.546 691 HA ALA 9 HA ALA 9 -3.474 3.761 14.420 692 1HB ALA 9 1HB ALA 9 -3.349 4.923 12.305 693 2HB ALA 9 2HB ALA 9 -4.703 5.540 13.258 694 3HB ALA 9 3HB ALA 9 -3.208 6.497 13.123 695 H ARG 10 H ARG 10 -1.264 6.575 14.909 696 HA ARG 10 HA ARG 10 1.119 5.434 13.864 697 1HB ARG 10 1HB ARG 10 0.591 7.390 16.126 698 2HB ARG 10 2HB ARG 10 2.227 6.907 15.674 699 1HG ARG 10 1HG ARG 10 2.024 7.795 13.483 700 2HG ARG 10 2HG ARG 10 0.282 8.072 13.651 701 1HD ARG 10 1HD ARG 10 0.658 9.754 15.374 702 2HD ARG 10 2HD ARG 10 2.390 9.452 15.385 703 HE ARG 10 HE ARG 10 0.768 10.860 13.329 704 1HH1 ARG 10 1HH1 ARG 10 4.025 9.796 14.240 705 2HH1 ARG 10 2HH1 ARG 10 4.762 10.656 12.901 706 1HH2 ARG 10 1HH2 ARG 10 1.795 11.839 11.533 707 2HH2 ARG 10 2HH2 ARG 10 3.536 11.731 11.428 708 H LYS 11 H LYS 11 -0.075 5.328 17.271 709 HA LYS 11 HA LYS 11 1.947 3.622 18.301 710 1HB LYS 11 1HB LYS 11 -0.967 4.007 19.079 711 2HB LYS 11 2HB LYS 11 0.181 3.058 20.033 712 1HG LYS 11 1HG LYS 11 1.582 4.972 20.445 713 2HG LYS 11 2HG LYS 11 0.656 5.983 19.325 714 1HD LYS 11 1HD LYS 11 -1.390 5.657 20.730 715 2HD LYS 11 2HD LYS 11 -0.429 4.752 21.906 716 1HE LYS 11 1HE LYS 11 0.044 7.656 21.061 717 2HE LYS 11 2HE LYS 11 -0.780 7.142 22.541 718 1HZ LYS 11 1HZ LYS 11 1.494 7.661 22.967 719 2HZ LYS 11 2HZ LYS 11 1.241 6.051 23.218 720 3HZ LYS 11 3HZ LYS 11 2.017 6.561 21.857 721 H TYR 12 H TYR 12 -1.293 2.720 17.029 722 HA TYR 12 HA TYR 12 -1.035 -0.084 17.316 723 1HB TYR 12 1HB TYR 12 -3.153 1.028 16.931 724 2HB TYR 12 2HB TYR 12 -2.619 1.620 15.363 725 HD1 TYR 12 1HD TYR 12 -3.366 -1.514 17.277 726 HD2 TYR 12 2HD TYR 12 -2.865 0.293 13.396 727 HE1 TYR 12 1HE TYR 12 -4.197 -3.594 16.191 728 HE2 TYR 12 2HE TYR 12 -3.691 -1.784 12.322 729 HH TYR 12 HH TYR 12 -4.509 -3.841 12.653 730 H LEU 13 H LEU 13 -0.488 1.894 14.373 731 HA LEU 13 HA LEU 13 0.447 -0.076 12.629 732 1HB LEU 13 1HB LEU 13 -0.083 2.219 11.933 733 2HB LEU 13 2HB LEU 13 1.242 2.845 12.920 734 HG LEU 13 HG LEU 13 2.870 1.563 11.444 735 1HD1 LEU 13 1HD1 LEU 13 0.422 1.272 9.648 736 2HD1 LEU 13 2HD1 LEU 13 2.095 0.837 9.241 737 3HD1 LEU 13 3HD1 LEU 13 1.231 -0.069 10.492 738 1HD2 LEU 13 1HD2 LEU 13 1.090 3.662 10.153 739 2HD2 LEU 13 2HD2 LEU 13 2.492 3.949 11.209 740 3HD2 LEU 13 3HD2 LEU 13 2.725 3.206 9.616 741 H GLU 14 H GLU 14 2.432 2.034 14.807 742 HA GLU 14 HA GLU 14 4.874 0.831 14.073 743 1HB GLU 14 1HB GLU 14 4.620 3.043 15.171 744 2HB GLU 14 2HB GLU 14 4.180 2.239 16.683 745 1HG GLU 14 1HG GLU 14 6.559 2.888 16.691 746 2HG GLU 14 2HG GLU 14 6.428 1.129 16.736 747 H GLN 15 H GLN 15 2.757 0.075 16.914 748 HA GLN 15 HA GLN 15 4.413 -2.014 17.959 749 1HB GLN 15 1HB GLN 15 1.429 -1.500 18.081 750 2HB GLN 15 2HB GLN 15 2.210 -2.831 18.950 751 1HG GLN 15 1HG GLN 15 3.582 -1.352 20.254 752 2HG GLN 15 2HG GLN 15 3.118 0.059 19.294 753 1HE2 GLN 15 1HE2 GLN 15 0.693 0.436 19.180 754 2HE2 GLN 15 2HE2 GLN 15 -0.179 0.299 20.722 755 H LEU 16 H LEU 16 1.716 -2.174 15.587 756 HA LEU 16 HA LEU 16 1.799 -4.980 15.221 757 1HB LEU 16 1HB LEU 16 -0.081 -3.551 14.599 758 2HB LEU 16 2HB LEU 16 0.894 -2.750 13.361 759 HG LEU 16 HG LEU 16 1.032 -4.821 12.068 760 1HD1 LEU 16 1HD1 LEU 16 -0.637 -6.054 14.307 761 2HD1 LEU 16 2HD1 LEU 16 -0.369 -6.797 12.716 762 3HD1 LEU 16 3HD1 LEU 16 0.996 -6.550 13.804 763 1HD2 LEU 16 1HD2 LEU 16 -1.325 -4.959 11.413 764 2HD2 LEU 16 2HD2 LEU 16 -1.813 -4.218 12.952 765 3HD2 LEU 16 3HD2 LEU 16 -0.892 -3.274 11.767 766 H HIS 17 H HIS 17 3.348 -2.391 13.266 767 HA HIS 17 HA HIS 17 4.905 -3.926 11.480 768 1HB HIS 17 1HB HIS 17 4.792 -1.577 11.193 769 2HB HIS 17 2HB HIS 17 5.250 -1.261 12.864 770 HD1 HIS 17 1HD HIS 17 7.609 -0.406 13.152 771 HD2 HIS 17 2HD HIS 17 7.094 -2.953 9.833 772 HE1 HIS 17 1HE HIS 17 9.867 -0.546 11.972 773 H ARG 18 H ARG 18 5.829 -2.766 14.770 774 HA ARG 18 HA ARG 18 8.334 -4.032 14.870 775 1HB ARG 18 1HB ARG 18 7.435 -2.273 16.406 776 2HB ARG 18 2HB ARG 18 6.488 -3.511 17.228 777 1HG ARG 18 1HG ARG 18 9.302 -4.355 16.995 778 2HG ARG 18 2HG ARG 18 9.201 -2.715 17.629 779 1HD ARG 18 1HD ARG 18 9.190 -4.019 19.533 780 2HD ARG 18 2HD ARG 18 7.494 -3.618 19.352 781 HE ARG 18 HE ARG 18 8.888 -6.221 18.860 782 1HH1 ARG 18 1HH1 ARG 18 5.735 -4.631 18.806 783 2HH1 ARG 18 2HH1 ARG 18 4.877 -6.095 19.205 784 1HH2 ARG 18 1HH2 ARG 18 7.790 -8.064 19.403 785 2HH2 ARG 18 2HH2 ARG 18 6.042 -8.055 19.508 786 H LYS 19 H LYS 19 5.146 -5.332 15.966 787 HA LYS 19 HA LYS 19 6.076 -7.888 16.778 788 1HB LYS 19 1HB LYS 19 3.884 -6.988 17.301 789 2HB LYS 19 2HB LYS 19 3.376 -7.076 15.616 790 1HG LYS 19 1HG LYS 19 4.362 -9.592 16.995 791 2HG LYS 19 2HG LYS 19 2.765 -8.948 17.392 792 1HD LYS 19 1HD LYS 19 2.051 -9.059 15.042 793 2HD LYS 19 2HD LYS 19 3.642 -9.634 14.544 794 1HE LYS 19 1HE LYS 19 2.173 -11.529 14.681 795 2HE LYS 19 2HE LYS 19 3.386 -11.656 15.963 796 1HZ LYS 19 1HZ LYS 19 1.174 -12.163 16.728 797 2HZ LYS 19 2HZ LYS 19 1.751 -10.828 17.500 798 3HZ LYS 19 3HZ LYS 19 0.634 -10.666 16.299 799 H LEU 20 H LEU 20 4.866 -6.837 13.570 800 HA LEU 20 HA LEU 20 5.215 -9.358 12.290 801 1HB LEU 20 1HB LEU 20 5.055 -6.533 11.229 802 2HB LEU 20 2HB LEU 20 5.112 -7.945 10.172 803 HG LEU 20 HG LEU 20 3.011 -7.699 12.371 804 1HD1 LEU 20 1HD1 LEU 20 2.841 -6.740 9.493 805 2HD1 LEU 20 2HD1 LEU 20 1.476 -6.856 10.625 806 3HD1 LEU 20 3HD1 LEU 20 2.815 -5.743 10.961 807 1HD2 LEU 20 1HD2 LEU 20 1.754 -9.251 10.900 808 2HD2 LEU 20 2HD2 LEU 20 3.134 -9.311 9.788 809 3HD2 LEU 20 3HD2 LEU 20 3.277 -9.966 11.432 810 H LYS 21 H LYS 21 7.521 -6.684 12.745 811 HA LYS 21 HA LYS 21 9.672 -7.966 11.277 812 1HB LYS 21 1HB LYS 21 9.525 -5.565 11.949 813 2HB LYS 21 2HB LYS 21 9.830 -6.024 13.623 814 1HG LYS 21 1HG LYS 21 11.998 -7.077 12.906 815 2HG LYS 21 2HG LYS 21 11.701 -6.516 11.256 816 1HD LYS 21 1HD LYS 21 11.973 -4.734 13.732 817 2HD LYS 21 2HD LYS 21 13.241 -5.035 12.533 818 1HE LYS 21 1HE LYS 21 11.736 -4.050 10.757 819 2HE LYS 21 2HE LYS 21 10.579 -3.618 12.032 820 1HZ LYS 21 1HZ LYS 21 12.274 -2.300 13.052 821 2HZ LYS 21 2HZ LYS 21 13.352 -2.687 11.867 822 3HZ LYS 21 3HZ LYS 21 12.005 -1.812 11.500 823 H ASN 22 H ASN 22 8.980 -7.773 14.772 824 HA ASN 22 HA ASN 22 10.954 -9.388 15.804 825 1HB ASN 22 1HB ASN 22 9.302 -7.943 17.006 826 2HB ASN 22 2HB ASN 22 8.077 -9.198 16.788 827 1HD2 ASN 22 1HD2 ASN 22 10.617 -11.209 17.409 828 2HD2 ASN 22 2HD2 ASN 22 10.596 -11.071 19.160 829 H CYS 23 H CYS 23 7.795 -10.515 14.468 830 HA CYS 23 HA CYS 23 8.244 -13.218 15.285 831 1HB CYS 23 1HB CYS 23 6.301 -13.817 14.130 832 2HB CYS 23 2HB CYS 23 6.062 -12.273 14.939 833 H LYS 24 H LYS 24 9.821 -11.553 12.708 834 HA LYS 24 HA LYS 24 10.479 -14.016 11.254 835 1HB LYS 24 1HB LYS 24 10.518 -11.848 10.118 836 2HB LYS 24 2HB LYS 24 11.756 -11.259 11.224 837 1HG LYS 24 1HG LYS 24 12.593 -11.948 8.983 838 2HG LYS 24 2HG LYS 24 13.417 -12.734 10.324 839 1HD LYS 24 1HD LYS 24 12.221 -14.829 9.938 840 2HD LYS 24 2HD LYS 24 11.126 -14.046 8.790 841 1HE LYS 24 1HE LYS 24 12.772 -15.345 7.582 842 2HE LYS 24 2HE LYS 24 13.009 -13.626 7.243 843 1HZ LYS 24 1HZ LYS 24 14.791 -13.627 8.847 844 2HZ LYS 24 2HZ LYS 24 14.551 -15.222 9.178 845 3HZ LYS 24 3HZ LYS 24 15.072 -14.760 7.685 846 H VAL 25 H VAL 25 10.800 -15.114 13.385 847 HA VAL 25 HA VAL 25 13.691 -15.208 14.025 848 HB VAL 25 HB VAL 25 12.666 -13.559 15.575 849 1HG1 VAL 25 1HG1 VAL 25 10.389 -14.594 15.758 850 2HG1 VAL 25 2HG1 VAL 25 11.090 -15.903 16.731 851 3HG1 VAL 25 3HG1 VAL 25 11.133 -14.234 17.323 852 1HG2 VAL 25 1HG2 VAL 25 13.594 -16.102 16.972 853 2HG2 VAL 25 2HG2 VAL 25 14.652 -14.879 16.234 854 3HG2 VAL 25 3HG2 VAL 25 13.630 -14.452 17.617 Start of MODEL 17 1 1H GLU 1 1H GLU 1 -5.864 18.444 6.100 2 2H GLU 1 2H GLU 1 -6.821 17.154 6.481 3 3H GLU 1 3H GLU 1 -7.329 18.270 5.377 4 HA GLU 1 HA GLU 1 -6.696 16.378 4.191 5 1HB GLU 1 1HB GLU 1 -4.853 17.281 2.823 6 2HB GLU 1 2HB GLU 1 -6.205 18.396 3.044 7 1HG GLU 1 1HG GLU 1 -4.976 19.821 4.486 8 2HG GLU 1 2HG GLU 1 -3.779 18.581 4.874 9 H ASN 2 H ASN 2 -4.355 17.191 6.667 10 HA ASN 2 HA ASN 2 -3.075 14.519 6.457 11 1HB ASN 2 1HB ASN 2 -1.602 17.167 6.198 12 2HB ASN 2 2HB ASN 2 -0.826 15.626 6.595 13 1HD2 ASN 2 1HD2 ASN 2 -1.740 17.630 3.926 14 2HD2 ASN 2 2HD2 ASN 2 -1.592 16.366 2.729 15 H ARG 3 H ARG 3 -4.464 14.267 8.280 16 HA ARG 3 HA ARG 3 -3.449 15.564 10.791 17 1HB ARG 3 1HB ARG 3 -5.661 16.249 10.137 18 2HB ARG 3 2HB ARG 3 -6.221 14.579 10.057 19 1HG ARG 3 1HG ARG 3 -5.025 15.559 12.652 20 2HG ARG 3 2HG ARG 3 -6.609 16.182 12.188 21 1HD ARG 3 1HD ARG 3 -5.962 13.218 12.404 22 2HD ARG 3 2HD ARG 3 -6.753 14.186 13.648 23 HE ARG 3 HE ARG 3 -8.249 14.620 11.328 24 1HH1 ARG 3 1HH1 ARG 3 -7.442 11.859 13.405 25 2HH1 ARG 3 2HH1 ARG 3 -9.014 11.103 13.117 26 1HH2 ARG 3 1HH2 ARG 3 -10.294 13.531 11.067 27 2HH2 ARG 3 2HH2 ARG 3 -10.532 12.012 11.935 28 H GLU 4 H GLU 4 -4.280 12.453 9.262 29 HA GLU 4 HA GLU 4 -2.717 11.091 11.367 30 1HB GLU 4 1HB GLU 4 -4.482 9.505 11.918 31 2HB GLU 4 2HB GLU 4 -4.938 11.132 12.349 32 1HG GLU 4 1HG GLU 4 -6.592 11.342 10.797 33 2HG GLU 4 2HG GLU 4 -5.783 10.371 9.581 34 H VAL 5 H VAL 5 -4.268 8.598 10.221 35 HA VAL 5 HA VAL 5 -2.512 8.130 7.866 36 HB VAL 5 HB VAL 5 -3.007 5.740 8.289 37 1HG1 VAL 5 1HG1 VAL 5 -1.043 6.821 9.347 38 2HG1 VAL 5 2HG1 VAL 5 -2.008 7.115 10.809 39 3HG1 VAL 5 3HG1 VAL 5 -1.677 5.454 10.277 40 1HG2 VAL 5 1HG2 VAL 5 -4.156 4.977 10.272 41 2HG2 VAL 5 2HG2 VAL 5 -4.525 6.634 10.766 42 3HG2 VAL 5 3HG2 VAL 5 -5.261 5.949 9.302 43 HA PRO 6 HA PRO 6 -6.219 8.226 5.415 44 1HB PRO 6 1HB PRO 6 -5.771 6.510 3.341 45 2HB PRO 6 2HB PRO 6 -4.821 8.007 3.564 46 1HG PRO 6 1HG PRO 6 -4.061 5.208 4.439 47 2HG PRO 6 2HG PRO 6 -3.082 6.360 3.492 48 1HD PRO 6 1HD PRO 6 -2.802 6.093 6.178 49 2HD PRO 6 2HD PRO 6 -2.639 7.680 5.399 50 HA PRO 7 HA PRO 7 -8.718 4.921 7.182 51 1HB PRO 7 1HB PRO 7 -10.952 4.971 5.569 52 2HB PRO 7 2HB PRO 7 -10.588 6.203 6.805 53 1HG PRO 7 1HG PRO 7 -10.000 6.344 3.838 54 2HG PRO 7 2HG PRO 7 -10.792 7.579 4.856 55 1HD PRO 7 1HD PRO 7 -8.159 7.737 4.257 56 2HD PRO 7 2HD PRO 7 -8.730 8.159 5.899 57 H GLY 8 H GLY 8 -8.044 5.034 3.718 58 1HA GLY 8 1HA GLY 8 -8.331 2.453 2.795 59 2HA GLY 8 2HA GLY 8 -6.968 3.510 2.410 60 H PHE 9 H PHE 9 -5.806 3.592 5.124 61 HA PHE 9 HA PHE 9 -4.229 1.165 5.022 62 1HB PHE 9 1HB PHE 9 -3.229 3.167 5.886 63 2HB PHE 9 2HB PHE 9 -4.511 3.383 7.073 64 HD1 PHE 9 1HD PHE 9 -4.040 2.809 9.280 65 HD2 PHE 9 2HD PHE 9 -2.075 0.678 6.095 66 HE1 PHE 9 1HE PHE 9 -2.743 1.519 10.948 67 HE2 PHE 9 2HE PHE 9 -0.809 -0.649 7.768 68 HZ PHE 9 HZ PHE 9 -1.141 -0.227 10.202 69 H THR 10 H THR 10 -6.649 2.331 7.440 70 HA THR 10 HA THR 10 -6.841 -0.016 8.962 71 HB THR 10 HB THR 10 -9.089 1.949 8.326 72 HG1 THR 10 1HG THR 10 -7.026 2.136 10.257 73 1HG2 THR 10 1HG2 THR 10 -9.790 0.005 9.705 74 2HG2 THR 10 2HG2 THR 10 -8.436 0.301 10.819 75 3HG2 THR 10 3HG2 THR 10 -9.744 1.492 10.671 76 H ALA 11 H ALA 11 -8.735 0.979 6.086 77 HA ALA 11 HA ALA 11 -10.420 -1.307 5.948 78 1HB ALA 11 1HB ALA 11 -10.787 0.865 4.793 79 2HB ALA 11 2HB ALA 11 -9.467 0.471 3.672 80 3HB ALA 11 3HB ALA 11 -10.937 -0.534 3.722 81 H LEU 12 H LEU 12 -7.267 -0.672 4.289 82 HA LEU 12 HA LEU 12 -7.008 -3.170 2.996 83 1HB LEU 12 1HB LEU 12 -5.607 -1.245 2.558 84 2HB LEU 12 2HB LEU 12 -4.828 -1.367 4.133 85 HG LEU 12 HG LEU 12 -4.750 -3.633 2.085 86 1HD1 LEU 12 1HD1 LEU 12 -2.791 -1.339 2.438 87 2HD1 LEU 12 2HD1 LEU 12 -2.569 -2.732 1.361 88 3HD1 LEU 12 3HD1 LEU 12 -3.870 -1.576 1.044 89 1HD2 LEU 12 1HD2 LEU 12 -3.921 -4.386 4.281 90 2HD2 LEU 12 2HD2 LEU 12 -2.539 -4.108 3.247 91 3HD2 LEU 12 3HD2 LEU 12 -2.971 -2.899 4.469 92 H ILE 13 H ILE 13 -5.784 -2.213 6.264 93 HA ILE 13 HA ILE 13 -4.772 -4.725 7.040 94 HB ILE 13 HB ILE 13 -6.021 -2.459 8.613 95 1HG1 ILE 13 1HG1 ILE 13 -3.824 -2.078 7.418 96 2HG1 ILE 13 2HG1 ILE 13 -3.836 -1.779 9.153 97 1HG2 ILE 13 1HG2 ILE 13 -6.369 -4.343 10.053 98 2HG2 ILE 13 2HG2 ILE 13 -4.736 -4.965 9.748 99 3HG2 ILE 13 3HG2 ILE 13 -4.974 -3.450 10.651 100 1HD1 ILE 13 1HD1 ILE 13 -1.784 -2.910 8.409 101 2HD1 ILE 13 2HD1 ILE 13 -2.668 -3.903 9.570 102 3HD1 ILE 13 3HD1 ILE 13 -2.719 -4.297 7.836 103 H LYS 14 H LYS 14 -8.111 -3.496 7.656 104 HA LYS 14 HA LYS 14 -9.151 -5.865 8.783 105 1HB LYS 14 1HB LYS 14 -10.248 -3.667 8.738 106 2HB LYS 14 2HB LYS 14 -10.556 -3.831 7.002 107 1HG LYS 14 1HG LYS 14 -11.904 -5.903 7.472 108 2HG LYS 14 2HG LYS 14 -11.644 -5.661 9.199 109 1HD LYS 14 1HD LYS 14 -13.067 -3.760 7.263 110 2HD LYS 14 2HD LYS 14 -13.858 -4.830 8.423 111 1HE LYS 14 1HE LYS 14 -12.096 -2.423 9.093 112 2HE LYS 14 2HE LYS 14 -13.846 -2.548 9.272 113 1HZ LYS 14 1HZ LYS 14 -13.506 -4.301 10.867 114 2HZ LYS 14 2HZ LYS 14 -11.871 -4.154 10.729 115 3HZ LYS 14 3HZ LYS 14 -12.759 -2.910 11.342 116 H THR 15 H THR 15 -9.061 -4.900 5.334 117 HA THR 15 HA THR 15 -10.310 -7.242 4.300 118 HB THR 15 HB THR 15 -8.329 -5.409 2.894 119 HG1 THR 15 1HG THR 15 -10.061 -4.235 3.721 120 1HG2 THR 15 1HG2 THR 15 -9.574 -6.076 0.881 121 2HG2 THR 15 2HG2 THR 15 -8.876 -7.507 1.663 122 3HG2 THR 15 3HG2 THR 15 -10.605 -7.154 1.844 123 H LEU 16 H LEU 16 -6.887 -6.548 5.000 124 HA LEU 16 HA LEU 16 -5.767 -8.915 3.852 125 1HB LEU 16 1HB LEU 16 -4.608 -6.783 4.517 126 2HB LEU 16 2HB LEU 16 -4.711 -7.265 6.200 127 HG LEU 16 HG LEU 16 -3.406 -9.063 4.115 128 1HD1 LEU 16 1HD1 LEU 16 -1.252 -7.991 4.690 129 2HD1 LEU 16 2HD1 LEU 16 -2.357 -6.849 3.916 130 3HD1 LEU 16 3HD1 LEU 16 -2.115 -6.786 5.674 131 1HD2 LEU 16 1HD2 LEU 16 -2.052 -9.773 6.099 132 2HD2 LEU 16 2HD2 LEU 16 -3.026 -8.714 7.133 133 3HD2 LEU 16 3HD2 LEU 16 -3.761 -10.117 6.330 134 H ARG 17 H ARG 17 -6.708 -8.095 7.222 135 HA ARG 17 HA ARG 17 -6.299 -10.659 8.369 136 1HB ARG 17 1HB ARG 17 -8.249 -8.421 9.060 137 2HB ARG 17 2HB ARG 17 -8.077 -9.901 10.006 138 1HG ARG 17 1HG ARG 17 -5.556 -9.379 10.151 139 2HG ARG 17 2HG ARG 17 -5.943 -7.786 9.483 140 1HD ARG 17 1HD ARG 17 -5.876 -7.608 11.889 141 2HD ARG 17 2HD ARG 17 -7.579 -7.479 11.388 142 HE ARG 17 HE ARG 17 -6.935 -10.219 11.900 143 1HH1 ARG 17 1HH1 ARG 17 -7.447 -7.227 13.680 144 2HH1 ARG 17 2HH1 ARG 17 -7.971 -8.035 15.141 145 1HH2 ARG 17 1HH2 ARG 17 -7.585 -11.255 13.764 146 2HH2 ARG 17 2HH2 ARG 17 -8.059 -10.350 15.187 147 H LYS 18 H LYS 18 -9.285 -9.353 6.823 148 HA LYS 18 HA LYS 18 -10.837 -11.712 6.980 149 1HB LYS 18 1HB LYS 18 -11.709 -9.586 6.340 150 2HB LYS 18 2HB LYS 18 -10.748 -9.507 4.886 151 1HG LYS 18 1HG LYS 18 -12.888 -11.621 5.432 152 2HG LYS 18 2HG LYS 18 -13.209 -10.078 4.645 153 1HD LYS 18 1HD LYS 18 -11.520 -12.345 3.513 154 2HD LYS 18 2HD LYS 18 -13.084 -11.790 2.971 155 1HE LYS 18 1HE LYS 18 -12.111 -9.582 2.326 156 2HE LYS 18 2HE LYS 18 -10.510 -10.148 2.824 157 1HZ LYS 18 1HZ LYS 18 -10.731 -11.944 1.255 158 2HZ LYS 18 2HZ LYS 18 -12.125 -11.273 0.685 159 3HZ LYS 18 3HZ LYS 18 -10.693 -10.452 0.558 160 H CYS 19 H CYS 19 -8.767 -10.729 4.182 161 HA CYS 19 HA CYS 19 -9.040 -13.020 2.630 162 1HB CYS 19 1HB CYS 19 -7.977 -11.051 1.786 163 2HB CYS 19 2HB CYS 19 -6.670 -11.181 2.966 164 H LYS 20 H LYS 20 -6.603 -12.485 5.204 165 HA LYS 20 HA LYS 20 -5.623 -15.275 4.930 166 1HB LYS 20 1HB LYS 20 -4.682 -12.991 6.698 167 2HB LYS 20 2HB LYS 20 -3.899 -14.568 6.492 168 1HG LYS 20 1HG LYS 20 -3.751 -14.058 3.994 169 2HG LYS 20 2HG LYS 20 -4.246 -12.398 4.385 170 1HD LYS 20 1HD LYS 20 -2.302 -12.220 5.958 171 2HD LYS 20 2HD LYS 20 -1.818 -13.870 5.529 172 1HE LYS 20 1HE LYS 20 -1.566 -13.173 3.144 173 2HE LYS 20 2HE LYS 20 -1.985 -11.509 3.594 174 1HZ LYS 20 1HZ LYS 20 -0.066 -11.474 5.012 175 2HZ LYS 20 2HZ LYS 20 0.292 -13.039 4.648 176 3HZ LYS 20 3HZ LYS 20 0.402 -11.888 3.485 177 H ILE 21 H ILE 21 -8.326 -14.192 6.391 178 HA ILE 21 HA ILE 21 -9.664 -14.892 8.002 179 HB ILE 21 HB ILE 21 -7.761 -17.206 8.511 180 1HG1 ILE 21 1HG1 ILE 21 -8.376 -17.240 6.155 181 2HG1 ILE 21 2HG1 ILE 21 -9.181 -18.529 7.037 182 1HG2 ILE 21 1HG2 ILE 21 -9.297 -16.991 10.336 183 2HG2 ILE 21 2HG2 ILE 21 -10.674 -16.767 9.244 184 3HG2 ILE 21 3HG2 ILE 21 -9.836 -18.332 9.323 185 1HD1 ILE 21 1HD1 ILE 21 -11.291 -17.171 7.072 186 2HD1 ILE 21 2HD1 ILE 21 -10.466 -15.922 6.110 187 3HD1 ILE 21 3HD1 ILE 21 -10.714 -17.538 5.443 188 H ILE 22 H ILE 22 -6.326 -15.172 9.237 189 HA ILE 22 HA ILE 22 -6.862 -14.936 11.943 190 HB ILE 22 HB ILE 22 -4.531 -14.200 12.207 191 1HG1 ILE 22 1HG1 ILE 22 -4.482 -14.007 9.156 192 2HG1 ILE 22 2HG1 ILE 22 -4.315 -12.664 10.292 193 1HG2 ILE 22 1HG2 ILE 22 -5.213 -16.590 11.814 194 2HG2 ILE 22 2HG2 ILE 22 -4.782 -16.389 10.104 195 3HG2 ILE 22 3HG2 ILE 22 -3.547 -16.230 11.369 196 1HD1 ILE 22 1HD1 ILE 22 -2.139 -13.238 9.505 197 2HD1 ILE 22 2HD1 ILE 22 -2.245 -13.729 11.209 198 3HD1 ILE 22 3HD1 ILE 22 -2.352 -14.946 9.910 199 1H ASN 1 1H ASN 1 9.123 15.497 1.159 200 2H ASN 1 2H ASN 1 9.454 15.323 2.770 201 3H ASN 1 3H ASN 1 7.960 15.805 2.278 202 HA ASN 1 HA ASN 1 7.815 13.581 2.940 203 1HB ASN 1 1HB ASN 1 6.663 12.733 1.065 204 2HB ASN 1 2HB ASN 1 6.545 14.479 0.919 205 1HD2 ASN 1 1HD2 ASN 1 6.906 11.802 -0.905 206 2HD2 ASN 1 2HD2 ASN 1 7.951 12.454 -2.172 207 H LEU 2 H LEU 2 10.199 13.922 0.325 208 HA LEU 2 HA LEU 2 12.031 12.828 -0.277 209 1HB LEU 2 1HB LEU 2 12.742 13.732 1.903 210 2HB LEU 2 2HB LEU 2 12.280 12.236 2.699 211 HG LEU 2 HG LEU 2 14.020 11.031 1.263 212 1HD1 LEU 2 1HD1 LEU 2 14.234 12.603 -0.613 213 2HD1 LEU 2 2HD1 LEU 2 14.761 13.890 0.496 214 3HD1 LEU 2 3HD1 LEU 2 15.779 12.461 0.228 215 1HD2 LEU 2 1HD2 LEU 2 14.465 11.730 3.586 216 2HD2 LEU 2 2HD2 LEU 2 15.918 11.863 2.582 217 3HD2 LEU 2 3HD2 LEU 2 15.002 13.324 3.009 218 H VAL 3 H VAL 3 11.899 10.335 2.194 219 HA VAL 3 HA VAL 3 11.735 8.227 0.219 220 HB VAL 3 HB VAL 3 11.672 6.721 2.131 221 1HG1 VAL 3 1HG1 VAL 3 13.836 7.668 1.354 222 2HG1 VAL 3 2HG1 VAL 3 13.706 8.944 2.584 223 3HG1 VAL 3 3HG1 VAL 3 13.842 7.248 3.075 224 1HG2 VAL 3 1HG2 VAL 3 10.245 7.984 3.700 225 2HG2 VAL 3 2HG2 VAL 3 11.783 7.541 4.446 226 3HG2 VAL 3 3HG2 VAL 3 11.517 9.205 3.903 227 H SER 4 H SER 4 9.363 10.030 2.032 228 HA SER 4 HA SER 4 7.277 8.051 1.961 229 1HB SER 4 1HB SER 4 6.801 11.006 2.365 230 2HB SER 4 2HB SER 4 5.966 9.619 3.066 231 HG SER 4 HG SER 4 8.542 10.684 3.642 232 H GLY 5 H GLY 5 7.632 7.595 -0.393 233 1HA GLY 5 1HA GLY 5 6.729 9.373 -2.457 234 2HA GLY 5 2HA GLY 5 6.906 7.620 -2.580 235 H LEU 6 H LEU 6 4.747 9.949 -0.948 236 HA LEU 6 HA LEU 6 2.648 8.469 -0.342 237 1HB LEU 6 1HB LEU 6 1.262 10.359 -0.252 238 2HB LEU 6 2HB LEU 6 2.893 10.798 0.237 239 HG LEU 6 HG LEU 6 1.604 11.470 -2.449 240 1HD1 LEU 6 1HD1 LEU 6 0.581 12.633 -0.535 241 2HD1 LEU 6 2HD1 LEU 6 2.185 13.206 -0.023 242 3HD1 LEU 6 3HD1 LEU 6 1.493 13.747 -1.565 243 1HD2 LEU 6 1HD2 LEU 6 4.286 12.302 -1.236 244 2HD2 LEU 6 2HD2 LEU 6 4.046 11.395 -2.748 245 3HD2 LEU 6 3HD2 LEU 6 3.537 13.077 -2.644 246 H ILE 7 H ILE 7 2.862 9.839 -3.663 247 HA ILE 7 HA ILE 7 0.363 8.755 -4.515 248 HB ILE 7 HB ILE 7 1.127 9.155 -6.784 249 1HG1 ILE 7 1HG1 ILE 7 3.857 9.784 -5.559 250 2HG1 ILE 7 2HG1 ILE 7 3.468 8.474 -6.688 251 1HG2 ILE 7 1HG2 ILE 7 1.250 11.545 -6.602 252 2HG2 ILE 7 2HG2 ILE 7 0.269 10.971 -5.255 253 3HG2 ILE 7 3HG2 ILE 7 1.954 11.459 -4.975 254 1HD1 ILE 7 1HD1 ILE 7 4.528 10.205 -7.928 255 2HD1 ILE 7 2HD1 ILE 7 2.817 10.171 -8.399 256 3HD1 ILE 7 3HD1 ILE 7 3.426 11.441 -7.307 257 H GLU 8 H GLU 8 3.630 7.316 -4.586 258 HA GLU 8 HA GLU 8 2.819 4.947 -6.065 259 1HB GLU 8 1HB GLU 8 5.131 5.842 -6.031 260 2HB GLU 8 2HB GLU 8 5.255 5.474 -4.301 261 1HG GLU 8 1HG GLU 8 4.903 3.050 -4.803 262 2HG GLU 8 2HG GLU 8 4.756 3.434 -6.525 263 H ALA 9 H ALA 9 3.410 5.758 -2.645 264 HA ALA 9 HA ALA 9 2.716 3.321 -1.416 265 1HB ALA 9 1HB ALA 9 2.237 6.140 -0.435 266 2HB ALA 9 2HB ALA 9 2.262 4.669 0.564 267 3HB ALA 9 3HB ALA 9 3.738 5.214 -0.252 268 H ARG 10 H ARG 10 0.555 6.065 -2.189 269 HA ARG 10 HA ARG 10 -1.874 4.897 -1.412 270 1HB ARG 10 1HB ARG 10 -1.369 7.316 -2.022 271 2HB ARG 10 2HB ARG 10 -1.420 6.841 -3.710 272 1HG ARG 10 1HG ARG 10 -3.528 7.798 -3.171 273 2HG ARG 10 2HG ARG 10 -3.793 6.068 -3.392 274 1HD ARG 10 1HD ARG 10 -5.056 6.961 -1.518 275 2HD ARG 10 2HD ARG 10 -3.897 5.770 -0.924 276 HE ARG 10 HE ARG 10 -2.427 7.960 -0.552 277 1HH1 ARG 10 1HH1 ARG 10 -5.857 7.595 0.248 278 2HH1 ARG 10 2HH1 ARG 10 -5.787 8.875 1.444 279 1HH2 ARG 10 1HH2 ARG 10 -2.400 9.581 1.025 280 2HH2 ARG 10 2HH2 ARG 10 -3.870 9.917 1.907 281 H LYS 11 H LYS 11 -0.352 4.911 -4.708 282 HA LYS 11 HA LYS 11 -2.391 3.334 -5.919 283 1HB LYS 11 1HB LYS 11 0.541 3.724 -6.602 284 2HB LYS 11 2HB LYS 11 -0.571 2.809 -7.627 285 1HG LYS 11 1HG LYS 11 -1.041 5.718 -6.836 286 2HG LYS 11 2HG LYS 11 -0.212 5.205 -8.308 287 1HD LYS 11 1HD LYS 11 -2.265 3.940 -9.003 288 2HD LYS 11 2HD LYS 11 -3.110 4.552 -7.568 289 1HE LYS 11 1HE LYS 11 -2.697 6.887 -8.312 290 2HE LYS 11 2HE LYS 11 -1.923 6.270 -9.786 291 1HZ LYS 11 1HZ LYS 11 -3.990 5.195 -10.334 292 2HZ LYS 11 2HZ LYS 11 -4.700 5.766 -8.962 293 3HZ LYS 11 3HZ LYS 11 -4.220 6.815 -10.139 294 H TYR 12 H TYR 12 0.724 2.165 -4.432 295 HA TYR 12 HA TYR 12 -0.055 -0.550 -4.985 296 1HB TYR 12 1HB TYR 12 1.805 -1.325 -4.022 297 2HB TYR 12 2HB TYR 12 2.290 0.232 -4.666 298 HD1 TYR 12 1HD TYR 12 1.126 -1.453 -1.505 299 HD2 TYR 12 2HD TYR 12 3.765 1.441 -3.283 300 HE1 TYR 12 1HE TYR 12 2.094 -0.978 0.718 301 HE2 TYR 12 2HE TYR 12 4.814 1.830 -1.063 302 HH TYR 12 HH TYR 12 3.317 0.528 1.894 303 H LEU 13 H LEU 13 -0.635 1.538 -2.141 304 HA LEU 13 HA LEU 13 -1.880 -0.352 -0.448 305 1HB LEU 13 1HB LEU 13 -1.376 2.008 0.089 306 2HB LEU 13 2HB LEU 13 -2.690 2.555 -0.933 307 HG LEU 13 HG LEU 13 -3.080 0.756 1.489 308 1HD1 LEU 13 1HD1 LEU 13 -3.265 3.786 1.281 309 2HD1 LEU 13 2HD1 LEU 13 -3.698 2.807 2.700 310 3HD1 LEU 13 3HD1 LEU 13 -2.016 2.874 2.156 311 1HD2 LEU 13 1HD2 LEU 13 -4.996 2.448 -0.187 312 2HD2 LEU 13 2HD2 LEU 13 -5.075 0.691 0.083 313 3HD2 LEU 13 3HD2 LEU 13 -5.399 1.788 1.407 314 H GLU 14 H GLU 14 -3.439 1.682 -2.986 315 HA GLU 14 HA GLU 14 -5.988 0.465 -2.947 316 1HB GLU 14 1HB GLU 14 -4.387 1.783 -5.163 317 2HB GLU 14 2HB GLU 14 -6.079 1.304 -5.356 318 1HG GLU 14 1HG GLU 14 -6.818 2.789 -3.609 319 2HG GLU 14 2HG GLU 14 -5.170 3.144 -3.096 320 H GLN 15 H GLN 15 -3.154 -0.422 -4.995 321 HA GLN 15 HA GLN 15 -4.339 -2.570 -6.344 322 1HB GLN 15 1HB GLN 15 -2.085 -1.465 -6.771 323 2HB GLN 15 2HB GLN 15 -1.434 -2.460 -5.466 324 1HG GLN 15 1HG GLN 15 -0.953 -3.576 -7.538 325 2HG GLN 15 2HG GLN 15 -2.207 -4.520 -6.732 326 1HE2 GLN 15 1HE2 GLN 15 -1.853 -1.806 -9.113 327 2HE2 GLN 15 2HE2 GLN 15 -3.169 -2.374 -10.132 328 H LEU 16 H LEU 16 -2.380 -2.780 -3.331 329 HA LEU 16 HA LEU 16 -2.794 -5.562 -2.856 330 1HB LEU 16 1HB LEU 16 -2.247 -3.245 -0.966 331 2HB LEU 16 2HB LEU 16 -2.259 -4.938 -0.458 332 HG LEU 16 HG LEU 16 -0.342 -3.738 -2.504 333 1HD1 LEU 16 1HD1 LEU 16 -0.011 -3.001 -0.127 334 2HD1 LEU 16 2HD1 LEU 16 0.109 -4.704 0.353 335 3HD1 LEU 16 3HD1 LEU 16 1.324 -4.000 -0.734 336 1HD2 LEU 16 1HD2 LEU 16 -0.530 -6.541 -1.313 337 2HD2 LEU 16 2HD2 LEU 16 -0.659 -6.099 -3.032 338 3HD2 LEU 16 3HD2 LEU 16 0.878 -5.913 -2.190 339 H HIS 17 H HIS 17 -4.638 -2.733 -1.562 340 HA HIS 17 HA HIS 17 -6.452 -4.260 -0.034 341 1HB HIS 17 1HB HIS 17 -6.107 -1.803 0.066 342 2HB HIS 17 2HB HIS 17 -6.988 -1.629 -1.456 343 HD1 HIS 17 1HD HIS 17 -9.185 -4.004 -0.245 344 HD2 HIS 17 2HD HIS 17 -8.020 -0.222 1.210 345 HE1 HIS 17 1HE HIS 17 -11.098 -3.154 1.220 346 H ARG 18 H ARG 18 -6.727 -3.221 -3.476 347 HA ARG 18 HA ARG 18 -9.245 -4.471 -4.012 348 1HB ARG 18 1HB ARG 18 -6.870 -3.695 -5.708 349 2HB ARG 18 2HB ARG 18 -8.294 -4.488 -6.408 350 1HG ARG 18 1HG ARG 18 -9.763 -2.720 -5.705 351 2HG ARG 18 2HG ARG 18 -8.492 -1.943 -4.747 352 1HD ARG 18 1HD ARG 18 -8.938 -0.796 -6.901 353 2HD ARG 18 2HD ARG 18 -7.270 -1.295 -6.727 354 HE ARG 18 HE ARG 18 -9.341 -2.385 -8.568 355 1HH1 ARG 18 1HH1 ARG 18 -6.074 -2.744 -7.362 356 2HH1 ARG 18 2HH1 ARG 18 -5.504 -3.722 -8.688 357 1HH2 ARG 18 1HH2 ARG 18 -8.656 -3.642 -10.312 358 2HH2 ARG 18 2HH2 ARG 18 -7.009 -4.227 -10.383 359 H LYS 19 H LYS 19 -5.889 -5.757 -4.484 360 HA LYS 19 HA LYS 19 -6.647 -8.325 -5.389 361 1HB LYS 19 1HB LYS 19 -4.370 -7.391 -5.455 362 2HB LYS 19 2HB LYS 19 -4.245 -7.529 -3.694 363 1HG LYS 19 1HG LYS 19 -4.485 -9.994 -3.856 364 2HG LYS 19 2HG LYS 19 -4.698 -9.855 -5.615 365 1HD LYS 19 1HD LYS 19 -2.416 -8.901 -5.825 366 2HD LYS 19 2HD LYS 19 -2.232 -8.920 -4.065 367 1HE LYS 19 1HE LYS 19 -1.059 -10.833 -5.015 368 2HE LYS 19 2HE LYS 19 -2.435 -11.404 -4.059 369 1HZ LYS 19 1HZ LYS 19 -2.392 -11.103 -6.986 370 2HZ LYS 19 2HZ LYS 19 -2.248 -12.525 -6.166 371 3HZ LYS 19 3HZ LYS 19 -3.655 -11.673 -6.096 372 H LEU 20 H LEU 20 -6.048 -7.249 -2.030 373 HA LEU 20 HA LEU 20 -6.712 -9.749 -0.787 374 1HB LEU 20 1HB LEU 20 -6.598 -6.920 0.295 375 2HB LEU 20 2HB LEU 20 -6.734 -8.369 1.302 376 HG LEU 20 HG LEU 20 -4.399 -7.973 -0.626 377 1HD1 LEU 20 1HD1 LEU 20 -4.446 -6.090 0.954 378 2HD1 LEU 20 2HD1 LEU 20 -4.608 -7.225 2.307 379 3HD1 LEU 20 3HD1 LEU 20 -3.119 -7.202 1.337 380 1HD2 LEU 20 1HD2 LEU 20 -4.718 -10.290 0.107 381 2HD2 LEU 20 2HD2 LEU 20 -3.298 -9.589 0.889 382 3HD2 LEU 20 3HD2 LEU 20 -4.807 -9.767 1.803 383 H LYS 21 H LYS 21 -8.777 -6.996 -1.777 384 HA LYS 21 HA LYS 21 -11.161 -8.117 -0.551 385 1HB LYS 21 1HB LYS 21 -11.034 -5.801 -1.330 386 2HB LYS 21 2HB LYS 21 -10.839 -6.354 -3.000 387 1HG LYS 21 1HG LYS 21 -13.084 -7.396 -2.945 388 2HG LYS 21 2HG LYS 21 -13.239 -6.993 -1.234 389 1HD LYS 21 1HD LYS 21 -14.498 -5.417 -2.647 390 2HD LYS 21 2HD LYS 21 -13.242 -4.605 -1.710 391 1HE LYS 21 1HE LYS 21 -13.409 -3.768 -4.049 392 2HE LYS 21 2HE LYS 21 -11.807 -4.405 -3.678 393 1HZ LYS 21 1HZ LYS 21 -12.416 -6.429 -4.792 394 2HZ LYS 21 2HZ LYS 21 -13.929 -5.856 -5.108 395 3HZ LYS 21 3HZ LYS 21 -12.614 -5.145 -5.805 396 H ASN 22 H ASN 22 -9.848 -8.313 -3.889 397 HA ASN 22 HA ASN 22 -11.691 -10.115 -4.964 398 1HB ASN 22 1HB ASN 22 -9.815 -8.707 -6.062 399 2HB ASN 22 2HB ASN 22 -8.760 -10.090 -5.763 400 1HD2 ASN 22 1HD2 ASN 22 -10.853 -12.193 -6.377 401 2HD2 ASN 22 2HD2 ASN 22 -11.100 -12.001 -8.108 402 H CYS 23 H CYS 23 -8.787 -10.843 -3.069 403 HA CYS 23 HA CYS 23 -8.524 -13.589 -3.141 404 1HB CYS 23 1HB CYS 23 -7.124 -12.178 -1.801 405 2HB CYS 23 2HB CYS 23 -8.502 -11.655 -0.832 406 H LYS 24 H LYS 24 -11.199 -11.821 -1.645 407 HA LYS 24 HA LYS 24 -13.124 -12.326 -0.758 408 1HB LYS 24 1HB LYS 24 -14.532 -13.886 -1.859 409 2HB LYS 24 2HB LYS 24 -13.590 -12.901 -2.979 410 1HG LYS 24 1HG LYS 24 -12.164 -14.768 -3.551 411 2HG LYS 24 2HG LYS 24 -12.889 -15.789 -2.287 412 1HD LYS 24 1HD LYS 24 -15.082 -15.643 -3.444 413 2HD LYS 24 2HD LYS 24 -14.356 -14.603 -4.687 414 1HE LYS 24 1HE LYS 24 -12.779 -16.427 -5.297 415 2HE LYS 24 2HE LYS 24 -13.492 -17.467 -4.049 416 1HZ LYS 24 1HZ LYS 24 -14.912 -16.363 -6.372 417 2HZ LYS 24 2HZ LYS 24 -14.398 -17.919 -6.206 418 3HZ LYS 24 3HZ LYS 24 -15.573 -17.329 -5.214 419 H VAL 25 H VAL 25 -11.358 -15.426 -0.584 420 HA VAL 25 HA VAL 25 -12.901 -16.748 1.326 421 HB VAL 25 HB VAL 25 -9.881 -16.767 0.910 422 1HG1 VAL 25 1HG1 VAL 25 -10.367 -17.810 3.067 423 2HG1 VAL 25 2HG1 VAL 25 -11.681 -18.769 2.345 424 3HG1 VAL 25 3HG1 VAL 25 -9.991 -19.065 1.889 425 1HG2 VAL 25 1HG2 VAL 25 -10.349 -18.800 -0.441 426 2HG2 VAL 25 2HG2 VAL 25 -12.092 -18.544 -0.221 427 3HG2 VAL 25 3HG2 VAL 25 -11.120 -17.379 -1.144 428 1H GLU 1 1H GLU 1 -7.454 9.973 6.437 429 2H GLU 1 2H GLU 1 -8.621 10.271 7.560 430 3H GLU 1 3H GLU 1 -7.051 10.088 8.018 431 HA GLU 1 HA GLU 1 -8.100 12.191 6.282 432 1HB GLU 1 1HB GLU 1 -8.790 12.093 8.827 433 2HB GLU 1 2HB GLU 1 -7.191 12.758 9.105 434 1HG GLU 1 1HG GLU 1 -9.478 13.931 7.463 435 2HG GLU 1 2HG GLU 1 -8.784 14.582 8.950 436 H ASN 2 H ASN 2 -6.346 11.666 4.853 437 HA ASN 2 HA ASN 2 -3.676 12.711 5.488 438 1HB ASN 2 1HB ASN 2 -3.770 10.547 6.687 439 2HB ASN 2 2HB ASN 2 -4.253 9.760 5.185 440 1HD2 ASN 2 1HD2 ASN 2 -1.543 10.797 7.082 441 2HD2 ASN 2 2HD2 ASN 2 -0.316 10.475 5.841 442 H ARG 3 H ARG 3 -2.876 13.519 3.614 443 HA ARG 3 HA ARG 3 -3.277 12.079 1.021 444 1HB ARG 3 1HB ARG 3 -1.481 14.465 1.556 445 2HB ARG 3 2HB ARG 3 -1.991 13.787 0.010 446 1HG ARG 3 1HG ARG 3 -4.373 14.483 0.611 447 2HG ARG 3 2HG ARG 3 -3.684 15.315 2.017 448 1HD ARG 3 1HD ARG 3 -2.048 16.442 0.335 449 2HD ARG 3 2HD ARG 3 -3.118 15.870 -0.938 450 HE ARG 3 HE ARG 3 -3.480 18.111 0.850 451 1HH1 ARG 3 1HH1 ARG 3 -5.353 15.730 -0.939 452 2HH1 ARG 3 2HH1 ARG 3 -6.764 16.758 -1.059 453 1HH2 ARG 3 1HH2 ARG 3 -5.249 19.383 0.750 454 2HH2 ARG 3 2HH2 ARG 3 -6.701 18.878 -0.100 455 H GLU 4 H GLU 4 -0.745 13.134 3.290 456 HA GLU 4 HA GLU 4 1.417 11.815 1.964 457 1HB GLU 4 1HB GLU 4 1.554 13.946 3.206 458 2HB GLU 4 2HB GLU 4 1.188 13.102 4.715 459 1HG GLU 4 1HG GLU 4 3.597 13.578 4.487 460 2HG GLU 4 2HG GLU 4 3.315 11.841 4.553 461 H VAL 5 H VAL 5 0.541 9.615 1.887 462 HA VAL 5 HA VAL 5 0.177 7.958 4.091 463 HB VAL 5 HB VAL 5 1.505 7.084 1.511 464 1HG1 VAL 5 1HG1 VAL 5 -0.217 5.603 3.556 465 2HG1 VAL 5 2HG1 VAL 5 0.361 4.926 2.026 466 3HG1 VAL 5 3HG1 VAL 5 1.523 5.361 3.288 467 1HG2 VAL 5 1HG2 VAL 5 -0.853 6.527 0.793 468 2HG2 VAL 5 2HG2 VAL 5 -1.437 7.494 2.164 469 3HG2 VAL 5 3HG2 VAL 5 -0.504 8.252 0.853 470 HA PRO 6 HA PRO 6 4.315 8.428 5.687 471 1HB PRO 6 1HB PRO 6 4.152 7.096 8.076 472 2HB PRO 6 2HB PRO 6 3.272 8.616 7.747 473 1HG PRO 6 1HG PRO 6 2.203 5.786 7.472 474 2HG PRO 6 2HG PRO 6 1.475 7.143 8.383 475 1HD PRO 6 1HD PRO 6 0.695 6.549 5.852 476 2HD PRO 6 2HD PRO 6 0.843 8.253 6.383 477 HA PRO 7 HA PRO 7 6.479 4.863 4.156 478 1HB PRO 7 1HB PRO 7 8.952 5.091 5.319 479 2HB PRO 7 2HB PRO 7 8.344 6.206 4.063 480 1HG PRO 7 1HG PRO 7 8.261 6.611 7.068 481 2HG PRO 7 2HG PRO 7 8.872 7.748 5.830 482 1HD PRO 7 1HD PRO 7 6.368 7.988 6.802 483 2HD PRO 7 2HD PRO 7 6.667 8.218 5.057 484 H GLY 8 H GLY 8 6.120 5.286 7.627 485 1HA GLY 8 1HA GLY 8 6.696 2.778 8.705 486 2HA GLY 8 2HA GLY 8 5.311 3.787 9.147 487 H PHE 9 H PHE 9 3.950 3.696 6.571 488 HA PHE 9 HA PHE 9 2.475 1.245 6.728 489 1HB PHE 9 1HB PHE 9 1.524 3.261 5.750 490 2HB PHE 9 2HB PHE 9 2.812 3.328 4.548 491 HD1 PHE 9 1HD PHE 9 0.412 0.645 5.672 492 HD2 PHE 9 2HD PHE 9 2.105 2.892 2.403 493 HE1 PHE 9 1HE PHE 9 -0.940 -0.672 4.057 494 HE2 PHE 9 2HE PHE 9 0.757 1.584 0.801 495 HZ PHE 9 HZ PHE 9 -0.718 -0.248 1.617 496 H THR 10 H THR 10 5.109 2.308 4.497 497 HA THR 10 HA THR 10 5.247 -0.135 3.021 498 HB THR 10 HB THR 10 7.506 1.859 3.482 499 HG1 THR 10 1HG THR 10 5.278 1.964 1.731 500 1HG2 THR 10 1HG2 THR 10 8.100 -0.186 2.189 501 2HG2 THR 10 2HG2 THR 10 6.727 0.110 1.100 502 3HG2 THR 10 3HG2 THR 10 8.079 1.257 1.156 503 H ALA 11 H ALA 11 7.048 1.015 5.899 504 HA ALA 11 HA ALA 11 8.711 -1.279 6.215 505 1HB ALA 11 1HB ALA 11 7.526 0.462 8.411 506 2HB ALA 11 2HB ALA 11 8.982 -0.550 8.501 507 3HB ALA 11 3HB ALA 11 8.959 0.869 7.441 508 H LEU 12 H LEU 12 5.484 -0.632 7.661 509 HA LEU 12 HA LEU 12 5.066 -3.122 8.912 510 1HB LEU 12 1HB LEU 12 3.744 -1.115 9.240 511 2HB LEU 12 2HB LEU 12 3.040 -1.237 7.633 512 HG LEU 12 HG LEU 12 2.750 -3.478 9.685 513 1HD1 LEU 12 1HD1 LEU 12 1.994 -1.438 10.761 514 2HD1 LEU 12 2HD1 LEU 12 1.056 -0.983 9.319 515 3HD1 LEU 12 3HD1 LEU 12 0.569 -2.378 10.299 516 1HD2 LEU 12 1HD2 LEU 12 1.099 -2.609 7.254 517 2HD2 LEU 12 2HD2 LEU 12 1.977 -4.143 7.443 518 3HD2 LEU 12 3HD2 LEU 12 0.569 -3.819 8.434 519 H ILE 13 H ILE 13 3.930 -2.147 5.606 520 HA ILE 13 HA ILE 13 2.944 -4.706 4.910 521 HB ILE 13 HB ILE 13 3.958 -2.393 3.241 522 1HG1 ILE 13 1HG1 ILE 13 1.888 -2.032 4.615 523 2HG1 ILE 13 2HG1 ILE 13 1.668 -1.857 2.879 524 1HG2 ILE 13 1HG2 ILE 13 2.728 -3.454 1.318 525 2HG2 ILE 13 2HG2 ILE 13 4.226 -4.265 1.777 526 3HG2 ILE 13 3HG2 ILE 13 2.669 -4.963 2.258 527 1HD1 ILE 13 1HD1 ILE 13 -0.224 -3.009 3.906 528 2HD1 ILE 13 2HD1 ILE 13 0.592 -4.087 2.771 529 3HD1 ILE 13 3HD1 ILE 13 0.822 -4.287 4.524 530 H LYS 14 H LYS 14 6.246 -3.402 4.324 531 HA LYS 14 HA LYS 14 7.247 -5.674 2.952 532 1HB LYS 14 1HB LYS 14 8.345 -3.518 3.002 533 2HB LYS 14 2HB LYS 14 8.619 -3.655 4.755 534 1HG LYS 14 1HG LYS 14 10.187 -5.465 4.451 535 2HG LYS 14 2HG LYS 14 9.726 -5.661 2.755 536 1HD LYS 14 1HD LYS 14 11.897 -4.551 2.993 537 2HD LYS 14 2HD LYS 14 10.740 -3.519 2.153 538 1HE LYS 14 1HE LYS 14 11.165 -3.244 5.159 539 2HE LYS 14 2HE LYS 14 12.298 -2.513 4.013 540 1HZ LYS 14 1HZ LYS 14 10.517 -1.312 3.027 541 2HZ LYS 14 2HZ LYS 14 9.421 -1.953 4.072 542 3HZ LYS 14 3HZ LYS 14 10.617 -0.974 4.636 543 H THR 15 H THR 15 7.467 -4.897 6.471 544 HA THR 15 HA THR 15 8.692 -7.391 7.189 545 HB THR 15 HB THR 15 7.946 -6.873 9.502 546 HG1 THR 15 1HG THR 15 6.894 -4.518 8.312 547 1HG2 THR 15 1HG2 THR 15 10.079 -6.006 8.678 548 2HG2 THR 15 2HG2 THR 15 9.273 -4.575 8.002 549 3HG2 THR 15 3HG2 THR 15 9.296 -4.836 9.755 550 H LEU 16 H LEU 16 5.242 -6.468 7.046 551 HA LEU 16 HA LEU 16 4.124 -8.904 7.942 552 1HB LEU 16 1HB LEU 16 2.983 -6.680 7.464 553 2HB LEU 16 2HB LEU 16 2.949 -7.114 5.766 554 HG LEU 16 HG LEU 16 1.749 -8.861 7.968 555 1HD1 LEU 16 1HD1 LEU 16 0.746 -6.623 8.101 556 2HD1 LEU 16 2HD1 LEU 16 0.419 -6.646 6.355 557 3HD1 LEU 16 3HD1 LEU 16 -0.415 -7.782 7.439 558 1HD2 LEU 16 1HD2 LEU 16 0.272 -9.627 6.086 559 2HD2 LEU 16 2HD2 LEU 16 1.259 -8.684 4.953 560 3HD2 LEU 16 3HD2 LEU 16 1.951 -10.064 5.830 561 H ARG 17 H ARG 17 4.743 -7.872 4.576 562 HA ARG 17 HA ARG 17 4.147 -10.204 3.190 563 1HB ARG 17 1HB ARG 17 4.557 -8.118 2.138 564 2HB ARG 17 2HB ARG 17 6.217 -8.030 2.699 565 1HG ARG 17 1HG ARG 17 5.265 -10.234 0.811 566 2HG ARG 17 2HG ARG 17 5.733 -8.631 0.259 567 1HD ARG 17 1HD ARG 17 7.779 -9.479 0.038 568 2HD ARG 17 2HD ARG 17 7.928 -9.195 1.780 569 HE ARG 17 HE ARG 17 6.753 -11.781 1.291 570 1HH1 ARG 17 1HH1 ARG 17 9.873 -10.151 1.103 571 2HH1 ARG 17 2HH1 ARG 17 10.779 -11.648 1.184 572 1HH2 ARG 17 1HH2 ARG 17 7.853 -13.611 1.306 573 2HH2 ARG 17 2HH2 ARG 17 9.615 -13.676 1.361 574 H LYS 18 H LYS 18 7.355 -9.324 4.601 575 HA LYS 18 HA LYS 18 8.568 -11.821 3.960 576 1HB LYS 18 1HB LYS 18 9.648 -9.601 4.678 577 2HB LYS 18 2HB LYS 18 9.337 -10.118 6.344 578 1HG LYS 18 1HG LYS 18 10.561 -12.296 5.737 579 2HG LYS 18 2HG LYS 18 10.992 -11.537 4.201 580 1HD LYS 18 1HD LYS 18 12.082 -9.658 5.441 581 2HD LYS 18 2HD LYS 18 11.680 -10.448 6.977 582 1HE LYS 18 1HE LYS 18 13.440 -11.666 4.791 583 2HE LYS 18 2HE LYS 18 14.037 -10.868 6.257 584 1HZ LYS 18 1HZ LYS 18 13.968 -13.222 6.544 585 2HZ LYS 18 2HZ LYS 18 12.869 -12.513 7.550 586 3HZ LYS 18 3HZ LYS 18 12.362 -13.279 6.190 587 H CYS 19 H CYS 19 7.290 -10.785 7.166 588 HA CYS 19 HA CYS 19 7.594 -13.112 8.633 589 1HB CYS 19 1HB CYS 19 6.837 -11.020 9.602 590 2HB CYS 19 2HB CYS 19 5.349 -11.078 8.651 591 H LYS 20 H LYS 20 4.828 -12.319 6.506 592 HA LYS 20 HA LYS 20 3.626 -15.006 6.961 593 1HB LYS 20 1HB LYS 20 2.552 -12.611 5.447 594 2HB LYS 20 2HB LYS 20 1.653 -14.046 5.962 595 1HG LYS 20 1HG LYS 20 2.836 -11.899 7.783 596 2HG LYS 20 2HG LYS 20 1.135 -12.142 7.380 597 1HD LYS 20 1HD LYS 20 1.247 -14.431 8.435 598 2HD LYS 20 2HD LYS 20 2.910 -14.073 8.947 599 1HE LYS 20 1HE LYS 20 2.095 -12.087 10.208 600 2HE LYS 20 2HE LYS 20 0.432 -12.463 9.722 601 1HZ LYS 20 1HZ LYS 20 0.935 -13.305 11.893 602 2HZ LYS 20 2HZ LYS 20 0.637 -14.553 10.860 603 3HZ LYS 20 3HZ LYS 20 2.183 -14.208 11.309 604 H ILE 21 H ILE 21 6.066 -14.233 5.046 605 HA ILE 21 HA ILE 21 6.926 -14.994 3.150 606 HB ILE 21 HB ILE 21 4.524 -16.831 2.822 607 1HG1 ILE 21 1HG1 ILE 21 5.544 -17.298 4.983 608 2HG1 ILE 21 2HG1 ILE 21 5.887 -18.578 3.828 609 1HG2 ILE 21 1HG2 ILE 21 6.143 -18.189 1.490 610 2HG2 ILE 21 2HG2 ILE 21 5.701 -16.650 0.747 611 3HG2 ILE 21 3HG2 ILE 21 7.275 -16.821 1.540 612 1HD1 ILE 21 1HD1 ILE 21 7.863 -18.135 5.130 613 2HD1 ILE 21 2HD1 ILE 21 8.186 -17.608 3.477 614 3HD1 ILE 21 3HD1 ILE 21 7.824 -16.407 4.741 615 H ILE 22 H ILE 22 3.430 -14.589 2.577 616 HA ILE 22 HA ILE 22 4.033 -13.001 0.123 617 HB ILE 22 HB ILE 22 2.744 -15.023 -0.304 618 1HG1 ILE 22 1HG1 ILE 22 0.791 -14.082 -1.439 619 2HG1 ILE 22 2HG1 ILE 22 0.971 -12.552 -0.577 620 1HG2 ILE 22 1HG2 ILE 22 0.483 -15.362 0.557 621 2HG2 ILE 22 2HG2 ILE 22 1.633 -15.325 1.892 622 3HG2 ILE 22 3HG2 ILE 22 0.604 -13.914 1.565 623 1HD1 ILE 22 1HD1 ILE 22 1.868 -12.542 -2.918 624 2HD1 ILE 22 2HD1 ILE 22 3.108 -12.131 -1.727 625 3HD1 ILE 22 3HD1 ILE 22 3.068 -13.761 -2.445 626 1H ASN 1 1H ASN 1 -10.435 7.595 8.563 627 2H ASN 1 2H ASN 1 -9.963 8.833 7.588 628 3H ASN 1 3H ASN 1 -9.309 8.679 9.095 629 HA ASN 1 HA ASN 1 -10.827 10.429 9.188 630 1HB ASN 1 1HB ASN 1 -13.193 10.143 8.521 631 2HB ASN 1 2HB ASN 1 -12.058 9.951 7.187 632 1HD2 ASN 1 1HD2 ASN 1 -13.782 7.940 9.638 633 2HD2 ASN 1 2HD2 ASN 1 -14.109 6.620 8.501 634 H LEU 2 H LEU 2 -9.728 8.708 11.035 635 HA LEU 2 HA LEU 2 -11.808 7.617 12.810 636 1HB LEU 2 1HB LEU 2 -8.791 7.961 12.993 637 2HB LEU 2 2HB LEU 2 -9.770 7.369 14.334 638 HG LEU 2 HG LEU 2 -10.524 5.445 13.012 639 1HD1 LEU 2 1HD1 LEU 2 -8.633 6.512 10.865 640 2HD1 LEU 2 2HD1 LEU 2 -9.243 4.849 10.923 641 3HD1 LEU 2 3HD1 LEU 2 -10.376 6.177 10.697 642 1HD2 LEU 2 1HD2 LEU 2 -8.363 4.257 13.074 643 2HD2 LEU 2 2HD2 LEU 2 -7.497 5.807 13.111 644 3HD2 LEU 2 3HD2 LEU 2 -8.531 5.328 14.474 645 H VAL 3 H VAL 3 -12.036 8.385 15.054 646 HA VAL 3 HA VAL 3 -12.055 11.291 15.339 647 HB VAL 3 HB VAL 3 -12.814 10.828 17.643 648 1HG1 VAL 3 1HG1 VAL 3 -14.376 9.426 15.435 649 2HG1 VAL 3 2HG1 VAL 3 -15.033 10.045 16.962 650 3HG1 VAL 3 3HG1 VAL 3 -14.374 11.172 15.766 651 1HG2 VAL 3 1HG2 VAL 3 -12.855 7.881 16.820 652 2HG2 VAL 3 2HG2 VAL 3 -11.838 8.587 18.094 653 3HG2 VAL 3 3HG2 VAL 3 -13.590 8.586 18.265 654 H SER 4 H SER 4 -10.210 12.342 15.531 655 HA SER 4 HA SER 4 -8.174 13.032 16.096 656 1HB SER 4 1HB SER 4 -7.147 12.643 18.158 657 2HB SER 4 2HB SER 4 -8.886 12.636 18.474 658 HG SER 4 HG SER 4 -8.737 10.304 18.433 659 H GLY 5 H GLY 5 -8.091 9.490 16.591 660 1HA GLY 5 1HA GLY 5 -7.206 7.837 15.269 661 2HA GLY 5 2HA GLY 5 -6.942 9.053 14.017 662 H LEU 6 H LEU 6 -5.037 10.584 14.633 663 HA LEU 6 HA LEU 6 -2.771 9.496 13.845 664 1HB LEU 6 1HB LEU 6 -3.080 11.871 14.134 665 2HB LEU 6 2HB LEU 6 -3.050 11.723 15.890 666 HG LEU 6 HG LEU 6 -0.663 11.069 15.828 667 1HD1 LEU 6 1HD1 LEU 6 -0.886 11.518 12.816 668 2HD1 LEU 6 2HD1 LEU 6 0.622 11.289 13.719 669 3HD1 LEU 6 3HD1 LEU 6 -0.539 9.963 13.612 670 1HD2 LEU 6 1HD2 LEU 6 -1.305 13.442 16.016 671 2HD2 LEU 6 2HD2 LEU 6 0.219 13.252 15.133 672 3HD2 LEU 6 3HD2 LEU 6 -1.281 13.596 14.247 673 H ILE 7 H ILE 7 -3.061 10.030 17.394 674 HA ILE 7 HA ILE 7 -0.706 8.590 18.006 675 HB ILE 7 HB ILE 7 -1.447 8.664 20.323 676 1HG1 ILE 7 1HG1 ILE 7 -4.111 9.704 19.242 677 2HG1 ILE 7 2HG1 ILE 7 -3.837 8.192 20.122 678 1HG2 ILE 7 1HG2 ILE 7 -1.381 11.055 20.537 679 2HG2 ILE 7 2HG2 ILE 7 -0.438 10.633 19.110 680 3HG2 ILE 7 3HG2 ILE 7 -2.075 11.289 18.920 681 1HD1 ILE 7 1HD1 ILE 7 -3.066 9.506 22.099 682 2HD1 ILE 7 2HD1 ILE 7 -3.556 10.993 21.248 683 3HD1 ILE 7 3HD1 ILE 7 -4.763 9.765 21.648 684 H GLU 8 H GLU 8 -4.061 7.398 17.861 685 HA GLU 8 HA GLU 8 -3.475 4.783 18.967 686 1HB GLU 8 1HB GLU 8 -5.682 5.781 19.071 687 2HB GLU 8 2HB GLU 8 -5.811 5.855 17.314 688 1HG GLU 8 1HG GLU 8 -5.472 3.245 18.874 689 2HG GLU 8 2HG GLU 8 -7.044 3.946 18.475 690 H ALA 9 H ALA 9 -4.051 6.001 15.658 691 HA ALA 9 HA ALA 9 -3.505 3.644 14.212 692 1HB ALA 9 1HB ALA 9 -4.527 5.640 13.230 693 2HB ALA 9 2HB ALA 9 -3.023 6.561 13.455 694 3HB ALA 9 3HB ALA 9 -3.061 5.182 12.335 695 H ARG 10 H ARG 10 -1.247 6.291 15.108 696 HA ARG 10 HA ARG 10 1.135 5.197 14.074 697 1HB ARG 10 1HB ARG 10 0.882 7.502 14.834 698 2HB ARG 10 2HB ARG 10 0.673 6.962 16.508 699 1HG ARG 10 1HG ARG 10 2.977 6.078 16.536 700 2HG ARG 10 2HG ARG 10 3.171 6.482 14.822 701 1HD ARG 10 1HD ARG 10 4.228 8.218 16.217 702 2HD ARG 10 2HD ARG 10 2.866 8.873 15.319 703 HE ARG 10 HE ARG 10 1.756 9.324 17.271 704 1HH1 ARG 10 1HH1 ARG 10 4.300 7.021 18.036 705 2HH1 ARG 10 2HH1 ARG 10 4.138 7.212 19.766 706 1HH2 ARG 10 1HH2 ARG 10 1.561 9.592 19.488 707 2HH2 ARG 10 2HH2 ARG 10 2.586 8.703 20.589 708 H LYS 11 H LYS 11 -0.167 4.876 17.456 709 HA LYS 11 HA LYS 11 1.854 3.107 18.375 710 1HB LYS 11 1HB LYS 11 -1.037 3.525 19.193 711 2HB LYS 11 2HB LYS 11 0.026 2.368 20.010 712 1HG LYS 11 1HG LYS 11 1.623 4.104 20.589 713 2HG LYS 11 2HG LYS 11 0.704 5.315 19.679 714 1HD LYS 11 1HD LYS 11 -1.239 5.003 21.193 715 2HD LYS 11 2HD LYS 11 -0.376 3.721 22.057 716 1HE LYS 11 1HE LYS 11 -0.221 5.770 23.352 717 2HE LYS 11 2HE LYS 11 1.386 5.367 22.727 718 1HZ LYS 11 1HZ LYS 11 0.864 7.683 22.457 719 2HZ LYS 11 2HZ LYS 11 1.017 6.970 20.976 720 3HZ LYS 11 3HZ LYS 11 -0.478 7.322 21.570 721 H TYR 12 H TYR 12 -1.373 2.235 16.995 722 HA TYR 12 HA TYR 12 -1.014 -0.570 17.062 723 1HB TYR 12 1HB TYR 12 -3.173 0.393 16.624 724 2HB TYR 12 2HB TYR 12 -2.589 1.225 15.186 725 HD1 TYR 12 1HD TYR 12 -2.669 0.167 13.052 726 HD2 TYR 12 2HD TYR 12 -3.052 -2.217 16.621 727 HE1 TYR 12 1HE TYR 12 -2.985 -1.874 11.664 728 HE2 TYR 12 2HE TYR 12 -3.362 -4.246 15.230 729 HH TYR 12 HH TYR 12 -3.425 -5.094 13.128 730 H LEU 13 H LEU 13 -0.386 1.645 14.312 731 HA LEU 13 HA LEU 13 0.662 -0.210 12.489 732 1HB LEU 13 1HB LEU 13 -0.042 2.062 11.998 733 2HB LEU 13 2HB LEU 13 1.319 2.746 12.886 734 HG LEU 13 HG LEU 13 1.684 0.928 10.468 735 1HD1 LEU 13 1HD1 LEU 13 0.251 2.812 9.810 736 2HD1 LEU 13 2HD1 LEU 13 1.414 3.957 10.514 737 3HD1 LEU 13 3HD1 LEU 13 1.864 2.972 9.105 738 1HD2 LEU 13 1HD2 LEU 13 3.793 1.251 11.671 739 2HD2 LEU 13 2HD2 LEU 13 3.812 2.278 10.254 740 3HD2 LEU 13 3HD2 LEU 13 3.474 2.994 11.837 741 H GLU 14 H GLU 14 2.504 1.891 14.775 742 HA GLU 14 HA GLU 14 5.020 0.791 14.111 743 1HB GLU 14 1HB GLU 14 4.643 2.988 15.207 744 2HB GLU 14 2HB GLU 14 4.173 2.157 16.697 745 1HG GLU 14 1HG GLU 14 6.524 2.893 16.801 746 2HG GLU 14 2HG GLU 14 6.454 1.131 16.836 747 H GLN 15 H GLN 15 2.726 -0.125 16.742 748 HA GLN 15 HA GLN 15 4.375 -2.111 17.937 749 1HB GLN 15 1HB GLN 15 2.237 -1.175 18.873 750 2HB GLN 15 2HB GLN 15 1.343 -2.148 17.690 751 1HG GLN 15 1HG GLN 15 2.651 -4.182 18.694 752 2HG GLN 15 2HG GLN 15 3.107 -3.085 19.997 753 1HE2 GLN 15 1HE2 GLN 15 0.878 -1.707 20.670 754 2HE2 GLN 15 2HE2 GLN 15 -0.422 -2.827 21.064 755 H LEU 16 H LEU 16 1.854 -2.459 15.357 756 HA LEU 16 HA LEU 16 2.245 -5.225 14.936 757 1HB LEU 16 1HB LEU 16 0.379 -3.638 14.037 758 2HB LEU 16 2HB LEU 16 1.498 -3.315 12.712 759 HG LEU 16 HG LEU 16 1.624 -5.974 12.567 760 1HD1 LEU 16 1HD1 LEU 16 -1.069 -5.558 13.946 761 2HD1 LEU 16 2HD1 LEU 16 -0.477 -7.073 13.237 762 3HD1 LEU 16 3HD1 LEU 16 0.324 -6.392 14.659 763 1HD2 LEU 16 1HD2 LEU 16 0.737 -4.643 10.772 764 2HD2 LEU 16 2HD2 LEU 16 -0.385 -5.975 11.072 765 3HD2 LEU 16 3HD2 LEU 16 -0.778 -4.342 11.657 766 H HIS 17 H HIS 17 3.715 -2.476 13.147 767 HA HIS 17 HA HIS 17 5.549 -3.861 11.531 768 1HB HIS 17 1HB HIS 17 5.257 -1.508 11.275 769 2HB HIS 17 2HB HIS 17 5.652 -1.195 12.965 770 HD1 HIS 17 1HD HIS 17 8.014 -0.304 13.329 771 HD2 HIS 17 2HD HIS 17 7.628 -2.888 10.023 772 HE1 HIS 17 1HE HIS 17 10.340 -0.536 12.298 773 H ARG 18 H ARG 18 6.129 -2.692 14.899 774 HA ARG 18 HA ARG 18 8.731 -3.749 15.153 775 1HB ARG 18 1HB ARG 18 7.841 -2.010 16.548 776 2HB ARG 18 2HB ARG 18 6.646 -3.091 17.269 777 1HG ARG 18 1HG ARG 18 9.566 -3.859 17.447 778 2HG ARG 18 2HG ARG 18 8.996 -2.518 18.440 779 1HD ARG 18 1HD ARG 18 7.334 -3.846 19.533 780 2HD ARG 18 2HD ARG 18 7.606 -5.237 18.497 781 HE ARG 18 HE ARG 18 9.186 -4.395 20.785 782 1HH1 ARG 18 1HH1 ARG 18 9.414 -6.222 17.718 783 2HH1 ARG 18 2HH1 ARG 18 10.569 -7.349 18.426 784 1HH2 ARG 18 1HH2 ARG 18 10.755 -5.847 21.534 785 2HH2 ARG 18 2HH2 ARG 18 11.352 -7.109 20.474 786 H LYS 19 H LYS 19 5.587 -5.340 15.824 787 HA LYS 19 HA LYS 19 6.798 -7.773 16.869 788 1HB LYS 19 1HB LYS 19 4.060 -7.188 15.704 789 2HB LYS 19 2HB LYS 19 4.537 -8.751 16.392 790 1HG LYS 19 1HG LYS 19 5.101 -7.646 18.545 791 2HG LYS 19 2HG LYS 19 4.554 -6.100 17.904 792 1HD LYS 19 1HD LYS 19 2.842 -8.593 18.349 793 2HD LYS 19 2HD LYS 19 2.838 -7.107 19.312 794 1HE LYS 19 1HE LYS 19 2.178 -5.868 17.157 795 2HE LYS 19 2HE LYS 19 1.884 -7.466 16.444 796 1HZ LYS 19 1HZ LYS 19 0.580 -6.319 18.815 797 2HZ LYS 19 2HZ LYS 19 -0.104 -6.581 17.341 798 3HZ LYS 19 3HZ LYS 19 0.345 -7.864 18.275 799 H LEU 20 H LEU 20 5.499 -6.920 13.614 800 HA LEU 20 HA LEU 20 6.147 -9.395 12.374 801 1HB LEU 20 1HB LEU 20 5.881 -6.604 11.229 802 2HB LEU 20 2HB LEU 20 5.933 -8.081 10.256 803 HG LEU 20 HG LEU 20 3.804 -7.617 12.405 804 1HD1 LEU 20 1HD1 LEU 20 3.834 -6.950 9.455 805 2HD1 LEU 20 2HD1 LEU 20 2.350 -7.014 10.434 806 3HD1 LEU 20 3HD1 LEU 20 3.615 -5.822 10.798 807 1HD2 LEU 20 1HD2 LEU 20 4.036 -9.958 11.822 808 2HD2 LEU 20 2HD2 LEU 20 2.568 -9.313 11.085 809 3HD2 LEU 20 3HD2 LEU 20 4.013 -9.573 10.091 810 H LYS 21 H LYS 21 8.054 -6.405 12.617 811 HA LYS 21 HA LYS 21 10.450 -7.137 11.336 812 1HB LYS 21 1HB LYS 21 9.912 -4.935 12.149 813 2HB LYS 21 2HB LYS 21 9.893 -5.460 13.817 814 1HG LYS 21 1HG LYS 21 12.361 -5.541 12.015 815 2HG LYS 21 2HG LYS 21 11.891 -4.138 12.965 816 1HD LYS 21 1HD LYS 21 12.889 -6.797 14.053 817 2HD LYS 21 2HD LYS 21 13.613 -5.205 14.161 818 1HE LYS 21 1HE LYS 21 11.617 -4.454 15.545 819 2HE LYS 21 2HE LYS 21 11.078 -6.146 15.563 820 1HZ LYS 21 1HZ LYS 21 13.638 -5.186 16.597 821 2HZ LYS 21 2HZ LYS 21 12.326 -5.629 17.491 822 3HZ LYS 21 3HZ LYS 21 13.124 -6.752 16.587 823 H ASN 22 H ASN 22 9.199 -8.110 14.542 824 HA ASN 22 HA ASN 22 11.674 -9.491 15.253 825 1HB ASN 22 1HB ASN 22 9.773 -8.326 16.734 826 2HB ASN 22 2HB ASN 22 9.101 -9.952 16.744 827 1HD2 ASN 22 1HD2 ASN 22 11.408 -11.571 16.804 828 2HD2 ASN 22 2HD2 ASN 22 12.259 -11.211 18.306 829 H CYS 23 H CYS 23 8.482 -10.356 13.988 830 HA CYS 23 HA CYS 23 8.631 -13.203 14.099 831 1HB CYS 23 1HB CYS 23 6.560 -12.036 13.528 832 2HB CYS 23 2HB CYS 23 7.339 -11.299 12.131 833 H LYS 24 H LYS 24 9.582 -10.963 11.471 834 HA LYS 24 HA LYS 24 11.068 -11.087 9.783 835 1HB LYS 24 1HB LYS 24 12.455 -13.278 11.388 836 2HB LYS 24 2HB LYS 24 13.127 -12.372 10.031 837 1HG LYS 24 1HG LYS 24 12.879 -10.270 11.309 838 2HG LYS 24 2HG LYS 24 12.227 -11.190 12.681 839 1HD LYS 24 1HD LYS 24 14.370 -12.560 12.677 840 2HD LYS 24 2HD LYS 24 15.032 -11.402 11.509 841 1HE LYS 24 1HE LYS 24 14.025 -10.800 14.338 842 2HE LYS 24 2HE LYS 24 15.716 -10.821 13.808 843 1HZ LYS 24 1HZ LYS 24 14.895 -8.607 13.897 844 2HZ LYS 24 2HZ LYS 24 15.168 -8.998 12.317 845 3HZ LYS 24 3HZ LYS 24 13.625 -8.963 12.909 846 H VAL 25 H VAL 25 10.854 -14.549 10.617 847 HA VAL 25 HA VAL 25 11.082 -16.378 9.286 848 HB VAL 25 HB VAL 25 8.696 -15.129 7.883 849 1HG1 VAL 25 1HG1 VAL 25 9.604 -18.036 8.146 850 2HG1 VAL 25 2HG1 VAL 25 8.053 -17.493 7.477 851 3HG1 VAL 25 3HG1 VAL 25 9.558 -17.099 6.639 852 1HG2 VAL 25 1HG2 VAL 25 8.900 -16.976 10.314 853 2HG2 VAL 25 2HG2 VAL 25 8.428 -15.270 10.355 854 3HG2 VAL 25 3HG2 VAL 25 7.394 -16.447 9.538 Start of MODEL 18 1 1H GLU 1 1H GLU 1 -12.190 12.111 9.823 2 2H GLU 1 2H GLU 1 -11.466 12.703 11.194 3 3H GLU 1 3H GLU 1 -12.412 11.371 11.291 4 HA GLU 1 HA GLU 1 -10.228 10.687 11.460 5 1HB GLU 1 1HB GLU 1 -11.426 10.012 8.756 6 2HB GLU 1 2HB GLU 1 -10.092 9.127 9.494 7 1HG GLU 1 1HG GLU 1 -12.883 9.398 10.713 8 2HG GLU 1 2HG GLU 1 -12.279 8.004 9.819 9 H ASN 2 H ASN 2 -9.540 13.200 11.197 10 HA ASN 2 HA ASN 2 -7.687 13.642 8.989 11 1HB ASN 2 1HB ASN 2 -8.696 15.451 10.305 12 2HB ASN 2 2HB ASN 2 -7.839 14.921 11.752 13 1HD2 ASN 2 1HD2 ASN 2 -5.389 14.818 11.532 14 2HD2 ASN 2 2HD2 ASN 2 -4.638 16.124 10.606 15 H ARG 3 H ARG 3 -6.857 11.419 9.030 16 HA ARG 3 HA ARG 3 -4.428 11.175 10.763 17 1HB ARG 3 1HB ARG 3 -4.771 8.662 10.547 18 2HB ARG 3 2HB ARG 3 -5.793 9.564 11.654 19 1HG ARG 3 1HG ARG 3 -7.656 9.525 10.128 20 2HG ARG 3 2HG ARG 3 -6.700 8.720 8.876 21 1HD ARG 3 1HD ARG 3 -7.190 7.542 11.650 22 2HD ARG 3 2HD ARG 3 -8.318 7.317 10.302 23 HE ARG 3 HE ARG 3 -5.735 6.614 9.391 24 1HH1 ARG 3 1HH1 ARG 3 -8.098 5.380 11.699 25 2HH1 ARG 3 2HH1 ARG 3 -7.667 3.703 11.411 26 1HH2 ARG 3 1HH2 ARG 3 -5.387 4.400 8.868 27 2HH2 ARG 3 2HH2 ARG 3 -6.100 3.171 9.898 28 H GLU 4 H GLU 4 -2.741 11.680 9.537 29 HA GLU 4 HA GLU 4 -2.266 11.143 6.843 30 1HB GLU 4 1HB GLU 4 -0.816 12.583 8.120 31 2HB GLU 4 2HB GLU 4 -0.412 11.294 9.254 32 1HG GLU 4 1HG GLU 4 1.419 11.809 7.643 33 2HG GLU 4 2HG GLU 4 0.914 10.121 7.608 34 H VAL 5 H VAL 5 -1.924 8.915 9.590 35 HA VAL 5 HA VAL 5 -1.068 6.625 7.992 36 HB VAL 5 HB VAL 5 -2.652 6.736 10.591 37 1HG1 VAL 5 1HG1 VAL 5 -1.746 4.421 10.876 38 2HG1 VAL 5 2HG1 VAL 5 -2.790 4.561 9.454 39 3HG1 VAL 5 3HG1 VAL 5 -1.025 4.519 9.259 40 1HG2 VAL 5 1HG2 VAL 5 0.356 6.510 10.221 41 2HG2 VAL 5 2HG2 VAL 5 -0.504 7.890 10.922 42 3HG2 VAL 5 3HG2 VAL 5 -0.528 6.330 11.743 43 HA PRO 6 HA PRO 6 -5.010 7.325 6.021 44 1HB PRO 6 1HB PRO 6 -5.057 5.451 4.007 45 2HB PRO 6 2HB PRO 6 -4.001 6.888 4.015 46 1HG PRO 6 1HG PRO 6 -3.281 4.088 4.909 47 2HG PRO 6 2HG PRO 6 -2.386 5.137 3.774 48 1HD PRO 6 1HD PRO 6 -1.693 4.986 6.394 49 2HD PRO 6 2HD PRO 6 -1.644 6.544 5.516 50 HA PRO 7 HA PRO 7 -7.981 4.356 7.905 51 1HB PRO 7 1HB PRO 7 -9.554 5.177 5.455 52 2HB PRO 7 2HB PRO 7 -10.125 4.968 7.136 53 1HG PRO 7 1HG PRO 7 -9.644 7.459 6.204 54 2HG PRO 7 2HG PRO 7 -9.027 6.999 7.818 55 1HD PRO 7 1HD PRO 7 -7.498 7.071 5.203 56 2HD PRO 7 2HD PRO 7 -7.040 7.717 6.806 57 H GLY 8 H GLY 8 -7.372 4.499 4.416 58 1HA GLY 8 1HA GLY 8 -7.854 1.980 3.443 59 2HA GLY 8 2HA GLY 8 -6.486 2.986 2.960 60 H PHE 9 H PHE 9 -5.087 2.878 5.584 61 HA PHE 9 HA PHE 9 -3.667 0.361 5.171 62 1HB PHE 9 1HB PHE 9 -2.253 2.032 5.896 63 2HB PHE 9 2HB PHE 9 -3.405 2.698 7.039 64 HD1 PHE 9 1HD PHE 9 -3.187 2.285 9.315 65 HD2 PHE 9 2HD PHE 9 -1.569 -0.527 6.479 66 HE1 PHE 9 1HE PHE 9 -2.309 0.932 11.173 67 HE2 PHE 9 2HE PHE 9 -0.771 -1.937 8.345 68 HZ PHE 9 HZ PHE 9 -1.169 -1.248 10.696 69 H THR 10 H THR 10 -5.833 1.606 7.775 70 HA THR 10 HA THR 10 -5.888 -0.811 9.290 71 HB THR 10 HB THR 10 -8.052 1.319 9.007 72 HG1 THR 10 1HG THR 10 -5.927 0.991 10.862 73 1HG2 THR 10 1HG2 THR 10 -8.925 -0.717 10.116 74 2HG2 THR 10 2HG2 THR 10 -7.509 -0.759 11.188 75 3HG2 THR 10 3HG2 THR 10 -8.677 0.574 11.301 76 H ALA 11 H ALA 11 -7.983 0.342 6.611 77 HA ALA 11 HA ALA 11 -9.656 -1.951 6.437 78 1HB ALA 11 1HB ALA 11 -10.194 -1.170 4.221 79 2HB ALA 11 2HB ALA 11 -10.048 0.227 5.302 80 3HB ALA 11 3HB ALA 11 -8.739 -0.155 4.161 81 H LEU 12 H LEU 12 -6.523 -1.302 4.769 82 HA LEU 12 HA LEU 12 -6.270 -3.715 3.356 83 1HB LEU 12 1HB LEU 12 -4.851 -1.692 3.178 84 2HB LEU 12 2HB LEU 12 -4.003 -2.143 4.653 85 HG LEU 12 HG LEU 12 -4.178 -3.995 2.245 86 1HD1 LEU 12 1HD1 LEU 12 -3.278 -1.857 1.464 87 2HD1 LEU 12 2HD1 LEU 12 -2.111 -1.836 2.802 88 3HD1 LEU 12 3HD1 LEU 12 -1.993 -3.070 1.528 89 1HD2 LEU 12 1HD2 LEU 12 -2.175 -3.751 4.545 90 2HD2 LEU 12 2HD2 LEU 12 -3.296 -5.102 4.274 91 3HD2 LEU 12 3HD2 LEU 12 -1.982 -4.820 3.143 92 H ILE 13 H ILE 13 -5.085 -3.012 6.716 93 HA ILE 13 HA ILE 13 -4.284 -5.729 7.180 94 HB ILE 13 HB ILE 13 -5.059 -3.554 9.139 95 1HG1 ILE 13 1HG1 ILE 13 -3.108 -2.978 7.797 96 2HG1 ILE 13 2HG1 ILE 13 -2.652 -3.314 9.466 97 1HG2 ILE 13 1HG2 ILE 13 -3.830 -6.296 9.643 98 2HG2 ILE 13 2HG2 ILE 13 -3.755 -4.956 10.803 99 3HG2 ILE 13 3HG2 ILE 13 -5.318 -5.629 10.333 100 1HD1 ILE 13 1HD1 ILE 13 -2.200 -5.150 7.071 101 2HD1 ILE 13 2HD1 ILE 13 -0.998 -4.249 7.980 102 3HD1 ILE 13 3HD1 ILE 13 -1.844 -5.587 8.761 103 H LYS 14 H LYS 14 -7.444 -4.175 7.945 104 HA LYS 14 HA LYS 14 -8.602 -6.448 9.165 105 1HB LYS 14 1HB LYS 14 -9.442 -4.082 9.054 106 2HB LYS 14 2HB LYS 14 -10.040 -4.386 7.434 107 1HG LYS 14 1HG LYS 14 -10.835 -5.843 10.010 108 2HG LYS 14 2HG LYS 14 -11.740 -4.530 9.266 109 1HD LYS 14 1HD LYS 14 -11.379 -7.329 8.100 110 2HD LYS 14 2HD LYS 14 -12.820 -6.650 8.832 111 1HE LYS 14 1HE LYS 14 -12.980 -4.932 7.060 112 2HE LYS 14 2HE LYS 14 -11.535 -5.587 6.274 113 1HZ LYS 14 1HZ LYS 14 -14.023 -7.063 6.717 114 2HZ LYS 14 2HZ LYS 14 -13.512 -6.429 5.285 115 3HZ LYS 14 3HZ LYS 14 -12.664 -7.651 5.994 116 H THR 15 H THR 15 -8.805 -5.466 5.714 117 HA THR 15 HA THR 15 -10.135 -7.821 4.793 118 HB THR 15 HB THR 15 -9.303 -7.191 2.547 119 HG1 THR 15 1HG THR 15 -8.090 -5.023 3.918 120 1HG2 THR 15 1HG2 THR 15 -10.477 -4.889 4.165 121 2HG2 THR 15 2HG2 THR 15 -10.465 -5.028 2.403 122 3HG2 THR 15 3HG2 THR 15 -11.380 -6.197 3.374 123 H LEU 16 H LEU 16 -6.616 -7.114 5.015 124 HA LEU 16 HA LEU 16 -5.683 -9.548 3.947 125 1HB LEU 16 1HB LEU 16 -4.328 -7.555 4.444 126 2HB LEU 16 2HB LEU 16 -4.444 -7.863 6.166 127 HG LEU 16 HG LEU 16 -3.408 -10.101 4.433 128 1HD1 LEU 16 1HD1 LEU 16 -1.131 -9.085 4.433 129 2HD1 LEU 16 2HD1 LEU 16 -2.282 -8.178 3.442 130 3HD1 LEU 16 3HD1 LEU 16 -1.834 -7.571 5.048 131 1HD2 LEU 16 1HD2 LEU 16 -3.529 -10.393 6.902 132 2HD2 LEU 16 2HD2 LEU 16 -1.845 -10.356 6.373 133 3HD2 LEU 16 3HD2 LEU 16 -2.561 -8.921 7.126 134 H ARG 17 H ARG 17 -6.370 -8.775 7.393 135 HA ARG 17 HA ARG 17 -5.815 -11.342 8.464 136 1HB ARG 17 1HB ARG 17 -7.800 -9.193 9.304 137 2HB ARG 17 2HB ARG 17 -7.436 -10.607 10.291 138 1HG ARG 17 1HG ARG 17 -5.144 -8.838 9.397 139 2HG ARG 17 2HG ARG 17 -6.229 -8.277 10.671 140 1HD ARG 17 1HD ARG 17 -4.342 -9.377 11.723 141 2HD ARG 17 2HD ARG 17 -5.797 -10.326 11.985 142 HE ARG 17 HE ARG 17 -4.943 -12.061 10.772 143 1HH1 ARG 17 1HH1 ARG 17 -2.937 -9.240 10.132 144 2HH1 ARG 17 2HH1 ARG 17 -1.763 -10.128 9.184 145 1HH2 ARG 17 1HH2 ARG 17 -3.540 -13.157 9.444 146 2HH2 ARG 17 2HH2 ARG 17 -2.091 -12.391 8.817 147 H LYS 18 H LYS 18 -8.925 -10.021 7.223 148 HA LYS 18 HA LYS 18 -10.415 -12.402 7.618 149 1HB LYS 18 1HB LYS 18 -11.244 -10.038 7.037 150 2HB LYS 18 2HB LYS 18 -10.908 -10.451 5.346 151 1HG LYS 18 1HG LYS 18 -12.365 -12.542 5.732 152 2HG LYS 18 2HG LYS 18 -12.801 -11.847 7.296 153 1HD LYS 18 1HD LYS 18 -13.611 -9.782 6.089 154 2HD LYS 18 2HD LYS 18 -13.287 -10.595 4.544 155 1HE LYS 18 1HE LYS 18 -15.202 -11.603 6.710 156 2HE LYS 18 2HE LYS 18 -15.682 -10.741 5.238 157 1HZ LYS 18 1HZ LYS 18 -15.905 -13.089 4.978 158 2HZ LYS 18 2HZ LYS 18 -14.756 -12.518 3.944 159 3HZ LYS 18 3HZ LYS 18 -14.308 -13.338 5.299 160 H CYS 19 H CYS 19 -8.796 -11.285 4.605 161 HA CYS 19 HA CYS 19 -9.244 -13.479 2.930 162 1HB CYS 19 1HB CYS 19 -8.273 -11.340 2.226 163 2HB CYS 19 2HB CYS 19 -6.811 -11.680 3.157 164 H LYS 20 H LYS 20 -6.568 -13.019 5.254 165 HA LYS 20 HA LYS 20 -5.391 -15.616 4.767 166 1HB LYS 20 1HB LYS 20 -4.157 -13.572 5.416 167 2HB LYS 20 2HB LYS 20 -4.981 -13.563 6.976 168 1HG LYS 20 1HG LYS 20 -2.680 -14.389 7.116 169 2HG LYS 20 2HG LYS 20 -3.828 -15.608 7.655 170 1HD LYS 20 1HD LYS 20 -3.622 -16.812 5.517 171 2HD LYS 20 2HD LYS 20 -2.587 -15.526 4.858 172 1HE LYS 20 1HE LYS 20 -0.900 -16.021 6.649 173 2HE LYS 20 2HE LYS 20 -1.963 -17.295 7.276 174 1HZ LYS 20 1HZ LYS 20 -1.761 -18.414 5.177 175 2HZ LYS 20 2HZ LYS 20 -0.777 -17.232 4.588 176 3HZ LYS 20 3HZ LYS 20 -0.274 -18.173 5.844 177 H ILE 21 H ILE 21 -8.253 -14.861 6.341 178 HA ILE 21 HA ILE 21 -9.652 -15.895 7.701 179 HB ILE 21 HB ILE 21 -7.779 -18.283 7.837 180 1HG1 ILE 21 1HG1 ILE 21 -8.234 -17.866 5.483 181 2HG1 ILE 21 2HG1 ILE 21 -9.095 -19.287 6.053 182 1HG2 ILE 21 1HG2 ILE 21 -10.738 -17.954 8.428 183 2HG2 ILE 21 2HG2 ILE 21 -9.885 -19.508 8.316 184 3HG2 ILE 21 3HG2 ILE 21 -9.444 -18.347 9.571 185 1HD1 ILE 21 1HD1 ILE 21 -10.493 -17.967 4.554 186 2HD1 ILE 21 2HD1 ILE 21 -11.208 -17.967 6.173 187 3HD1 ILE 21 3HD1 ILE 21 -10.331 -16.537 5.578 188 H ILE 22 H ILE 22 -6.394 -16.663 8.915 189 HA ILE 22 HA ILE 22 -7.140 -15.649 11.616 190 HB ILE 22 HB ILE 22 -5.999 -17.796 11.500 191 1HG1 ILE 22 1HG1 ILE 22 -4.274 -15.626 12.778 192 2HG1 ILE 22 2HG1 ILE 22 -5.798 -16.241 13.438 193 1HG2 ILE 22 1HG2 ILE 22 -3.704 -18.070 10.822 194 2HG2 ILE 22 2HG2 ILE 22 -4.558 -17.346 9.468 195 3HG2 ILE 22 3HG2 ILE 22 -3.514 -16.341 10.494 196 1HD1 ILE 22 1HD1 ILE 22 -3.982 -17.346 14.561 197 2HD1 ILE 22 2HD1 ILE 22 -4.802 -18.536 13.532 198 3HD1 ILE 22 3HD1 ILE 22 -3.240 -17.841 13.034 199 1H ASN 1 1H ASN 1 0.761 15.150 -8.781 200 2H ASN 1 2H ASN 1 1.198 16.745 -8.825 201 3H ASN 1 3H ASN 1 -0.260 16.302 -8.213 202 HA ASN 1 HA ASN 1 1.122 16.876 -6.450 203 1HB ASN 1 1HB ASN 1 -0.489 14.833 -6.427 204 2HB ASN 1 2HB ASN 1 0.976 13.853 -6.402 205 1HD2 ASN 1 1HD2 ASN 1 2.346 16.034 -4.591 206 2HD2 ASN 1 2HD2 ASN 1 1.602 15.709 -3.042 207 H LEU 2 H LEU 2 2.766 14.965 -8.836 208 HA LEU 2 HA LEU 2 4.916 14.828 -9.400 209 1HB LEU 2 1HB LEU 2 5.548 16.803 -7.187 210 2HB LEU 2 2HB LEU 2 6.515 16.429 -8.607 211 HG LEU 2 HG LEU 2 3.776 17.781 -8.636 212 1HD1 LEU 2 1HD1 LEU 2 6.568 18.855 -9.198 213 2HD1 LEU 2 2HD1 LEU 2 5.046 19.761 -9.329 214 3HD1 LEU 2 3HD1 LEU 2 5.597 19.185 -7.747 215 1HD2 LEU 2 1HD2 LEU 2 4.298 18.199 -11.047 216 2HD2 LEU 2 2HD2 LEU 2 5.701 17.120 -10.912 217 3HD2 LEU 2 3HD2 LEU 2 4.053 16.484 -10.704 218 H VAL 3 H VAL 3 4.670 14.523 -5.856 219 HA VAL 3 HA VAL 3 7.164 13.201 -5.543 220 HB VAL 3 HB VAL 3 6.359 12.638 -3.271 221 1HG1 VAL 3 1HG1 VAL 3 7.499 14.759 -3.793 222 2HG1 VAL 3 2HG1 VAL 3 5.937 15.521 -4.161 223 3HG1 VAL 3 3HG1 VAL 3 6.291 14.963 -2.515 224 1HG2 VAL 3 1HG2 VAL 3 4.275 13.551 -2.441 225 2HG2 VAL 3 2HG2 VAL 3 3.823 14.154 -4.039 226 3HG2 VAL 3 3HG2 VAL 3 3.893 12.412 -3.737 227 H SER 4 H SER 4 6.896 11.804 -7.385 228 HA SER 4 HA SER 4 5.628 9.623 -8.018 229 1HB SER 4 1HB SER 4 7.676 10.295 -9.102 230 2HB SER 4 2HB SER 4 8.644 9.743 -7.728 231 HG SER 4 HG SER 4 7.002 8.104 -9.390 232 H GLY 5 H GLY 5 8.190 9.180 -5.513 233 1HA GLY 5 1HA GLY 5 7.673 6.520 -4.872 234 2HA GLY 5 2HA GLY 5 8.334 7.712 -3.745 235 H LEU 6 H LEU 6 6.112 9.432 -3.419 236 HA LEU 6 HA LEU 6 4.671 7.839 -1.431 237 1HB LEU 6 1HB LEU 6 4.628 10.771 -2.198 238 2HB LEU 6 2HB LEU 6 3.473 10.055 -1.070 239 HG LEU 6 HG LEU 6 5.338 9.263 0.372 240 1HD1 LEU 6 1HD1 LEU 6 7.572 10.406 0.083 241 2HD1 LEU 6 2HD1 LEU 6 7.251 9.169 -1.127 242 3HD1 LEU 6 3HD1 LEU 6 7.067 10.889 -1.549 243 1HD2 LEU 6 1HD2 LEU 6 5.251 12.252 -0.199 244 2HD2 LEU 6 2HD2 LEU 6 4.138 11.339 0.850 245 3HD2 LEU 6 3HD2 LEU 6 5.841 11.497 1.297 246 H ILE 7 H ILE 7 3.768 9.589 -4.465 247 HA ILE 7 HA ILE 7 1.027 8.757 -4.334 248 HB ILE 7 HB ILE 7 0.789 9.254 -6.652 249 1HG1 ILE 7 1HG1 ILE 7 3.783 9.727 -6.700 250 2HG1 ILE 7 2HG1 ILE 7 2.923 8.444 -7.574 251 1HG2 ILE 7 1HG2 ILE 7 1.123 11.592 -6.453 252 2HG2 ILE 7 2HG2 ILE 7 0.852 11.008 -4.813 253 3HG2 ILE 7 3HG2 ILE 7 2.498 11.398 -5.345 254 1HD1 ILE 7 1HD1 ILE 7 3.403 10.187 -9.137 255 2HD1 ILE 7 2HD1 ILE 7 1.657 10.224 -8.822 256 3HD1 ILE 7 3HD1 ILE 7 2.733 11.436 -8.080 257 H GLU 8 H GLU 8 3.866 7.145 -5.833 258 HA GLU 8 HA GLU 8 2.433 4.888 -6.775 259 1HB GLU 8 1HB GLU 8 4.724 5.511 -7.472 260 2HB GLU 8 2HB GLU 8 5.337 5.077 -5.870 261 1HG GLU 8 1HG GLU 8 5.692 3.266 -7.541 262 2HG GLU 8 2HG GLU 8 4.659 2.725 -6.216 263 H ALA 9 H ALA 9 4.092 5.417 -3.600 264 HA ALA 9 HA ALA 9 3.524 2.913 -2.473 265 1HB ALA 9 1HB ALA 9 3.818 3.996 -0.310 266 2HB ALA 9 2HB ALA 9 5.024 4.574 -1.468 267 3HB ALA 9 3HB ALA 9 3.635 5.600 -1.052 268 H ARG 10 H ARG 10 1.409 5.875 -2.304 269 HA ARG 10 HA ARG 10 -0.658 4.377 -0.950 270 1HB ARG 10 1HB ARG 10 -2.103 6.234 -1.160 271 2HB ARG 10 2HB ARG 10 -0.495 6.727 -0.645 272 1HG ARG 10 1HG ARG 10 -0.040 7.359 -3.067 273 2HG ARG 10 2HG ARG 10 -1.779 7.154 -3.368 274 1HD ARG 10 1HD ARG 10 -2.199 8.763 -1.449 275 2HD ARG 10 2HD ARG 10 -0.442 8.986 -1.322 276 HE ARG 10 HE ARG 10 -1.302 9.516 -4.006 277 1HH1 ARG 10 1HH1 ARG 10 -1.314 10.888 -0.763 278 2HH1 ARG 10 2HH1 ARG 10 -1.708 12.506 -1.267 279 1HH2 ARG 10 1HH2 ARG 10 -1.576 11.649 -4.725 280 2HH2 ARG 10 2HH2 ARG 10 -1.497 12.988 -3.601 281 H LYS 11 H LYS 11 -0.128 5.011 -4.459 282 HA LYS 11 HA LYS 11 -2.537 3.754 -5.371 283 1HB LYS 11 1HB LYS 11 0.250 3.934 -6.558 284 2HB LYS 11 2HB LYS 11 -1.119 3.162 -7.383 285 1HG LYS 11 1HG LYS 11 -2.357 5.179 -7.525 286 2HG LYS 11 2HG LYS 11 -1.320 6.005 -6.364 287 1HD LYS 11 1HD LYS 11 -0.864 6.802 -8.604 288 2HD LYS 11 2HD LYS 11 0.566 6.006 -7.954 289 1HE LYS 11 1HE LYS 11 -1.401 4.518 -9.751 290 2HE LYS 11 2HE LYS 11 -0.136 5.556 -10.426 291 1HZ LYS 11 1HZ LYS 11 1.512 4.248 -9.333 292 2HZ LYS 11 2HZ LYS 11 0.374 3.266 -8.671 293 3HZ LYS 11 3HZ LYS 11 0.578 3.305 -10.302 294 H TYR 12 H TYR 12 0.674 2.303 -4.633 295 HA TYR 12 HA TYR 12 -0.006 -0.417 -5.113 296 1HB TYR 12 1HB TYR 12 2.271 0.192 -4.909 297 2HB TYR 12 2HB TYR 12 2.024 0.960 -3.351 298 HD1 TYR 12 1HD TYR 12 1.767 -2.430 -4.987 299 HD2 TYR 12 2HD TYR 12 2.507 -0.199 -1.373 300 HE1 TYR 12 1HE TYR 12 2.433 -4.525 -3.818 301 HE2 TYR 12 2HE TYR 12 3.192 -2.284 -0.232 302 HH TYR 12 HH TYR 12 3.548 -4.493 -0.426 303 H LEU 13 H LEU 13 -0.074 1.429 -2.026 304 HA LEU 13 HA LEU 13 -1.219 -0.478 -0.338 305 1HB LEU 13 1HB LEU 13 -0.372 1.795 0.229 306 2HB LEU 13 2HB LEU 13 -1.860 2.501 -0.394 307 HG LEU 13 HG LEU 13 -1.760 0.505 1.906 308 1HD1 LEU 13 1HD1 LEU 13 -1.983 2.466 3.370 309 2HD1 LEU 13 2HD1 LEU 13 -0.501 2.591 2.415 310 3HD1 LEU 13 3HD1 LEU 13 -1.923 3.547 1.959 311 1HD2 LEU 13 1HD2 LEU 13 -3.980 1.602 2.466 312 2HD2 LEU 13 2HD2 LEU 13 -3.959 2.347 0.858 313 3HD2 LEU 13 3HD2 LEU 13 -4.030 0.578 1.044 314 H GLU 14 H GLU 14 -3.048 1.933 -2.329 315 HA GLU 14 HA GLU 14 -5.581 0.933 -1.645 316 1HB GLU 14 1HB GLU 14 -5.084 3.165 -2.627 317 2HB GLU 14 2HB GLU 14 -4.767 2.399 -4.189 318 1HG GLU 14 1HG GLU 14 -7.046 3.318 -4.121 319 2HG GLU 14 2HG GLU 14 -7.134 1.561 -4.240 320 H GLN 15 H GLN 15 -3.597 0.139 -4.550 321 HA GLN 15 HA GLN 15 -5.400 -1.699 -5.769 322 1HB GLN 15 1HB GLN 15 -2.386 -1.493 -5.742 323 2HB GLN 15 2HB GLN 15 -3.250 -2.707 -6.699 324 1HG GLN 15 1HG GLN 15 -4.408 -1.062 -7.999 325 2HG GLN 15 2HG GLN 15 -3.890 0.261 -6.948 326 1HE2 GLN 15 1HE2 GLN 15 -1.462 0.452 -6.696 327 2HE2 GLN 15 2HE2 GLN 15 -0.508 0.304 -8.188 328 H LEU 16 H LEU 16 -2.736 -2.353 -3.446 329 HA LEU 16 HA LEU 16 -3.201 -5.126 -3.219 330 1HB LEU 16 1HB LEU 16 -1.141 -3.979 -2.579 331 2HB LEU 16 2HB LEU 16 -1.968 -3.155 -1.253 332 HG LEU 16 HG LEU 16 -2.279 -5.238 -0.061 333 1HD1 LEU 16 1HD1 LEU 16 -1.263 -7.375 -0.929 334 2HD1 LEU 16 2HD1 LEU 16 -2.662 -6.859 -1.870 335 3HD1 LEU 16 3HD1 LEU 16 -1.020 -6.585 -2.500 336 1HD2 LEU 16 1HD2 LEU 16 0.542 -5.036 -1.177 337 2HD2 LEU 16 2HD2 LEU 16 -0.110 -4.064 0.158 338 3HD2 LEU 16 3HD2 LEU 16 0.080 -5.821 0.343 339 H HIS 17 H HIS 17 -4.395 -2.452 -1.138 340 HA HIS 17 HA HIS 17 -6.070 -3.868 0.623 341 1HB HIS 17 1HB HIS 17 -5.719 -1.558 0.998 342 2HB HIS 17 2HB HIS 17 -6.197 -1.128 -0.639 343 HD1 HIS 17 1HD HIS 17 -8.401 0.106 -0.645 344 HD2 HIS 17 2HD HIS 17 -8.214 -3.050 2.143 345 HE1 HIS 17 1HE HIS 17 -10.685 -0.016 0.483 346 H ARG 18 H ARG 18 -7.111 -2.440 -2.584 347 HA ARG 18 HA ARG 18 -9.668 -3.663 -2.323 348 1HB ARG 18 1HB ARG 18 -10.209 -3.044 -4.456 349 2HB ARG 18 2HB ARG 18 -9.265 -1.725 -3.780 350 1HG ARG 18 1HG ARG 18 -7.516 -2.012 -5.233 351 2HG ARG 18 2HG ARG 18 -7.749 -3.738 -5.441 352 1HD ARG 18 1HD ARG 18 -9.406 -1.530 -6.683 353 2HD ARG 18 2HD ARG 18 -8.304 -2.620 -7.526 354 HE ARG 18 HE ARG 18 -11.051 -3.082 -6.870 355 1HH1 ARG 18 1HH1 ARG 18 -8.041 -4.912 -7.101 356 2HH1 ARG 18 2HH1 ARG 18 -8.871 -6.440 -7.311 357 1HH2 ARG 18 1HH2 ARG 18 -12.070 -5.031 -7.141 358 2HH2 ARG 18 2HH2 ARG 18 -11.168 -6.517 -7.319 359 H LYS 19 H LYS 19 -6.675 -4.978 -3.781 360 HA LYS 19 HA LYS 19 -7.858 -7.364 -4.828 361 1HB LYS 19 1HB LYS 19 -5.591 -6.578 -5.353 362 2HB LYS 19 2HB LYS 19 -5.070 -6.910 -3.695 363 1HG LYS 19 1HG LYS 19 -5.586 -9.319 -4.005 364 2HG LYS 19 2HG LYS 19 -6.129 -8.989 -5.662 365 1HD LYS 19 1HD LYS 19 -3.864 -8.101 -6.215 366 2HD LYS 19 2HD LYS 19 -3.316 -8.464 -4.572 367 1HE LYS 19 1HE LYS 19 -4.355 -10.526 -6.583 368 2HE LYS 19 2HE LYS 19 -2.648 -10.207 -6.237 369 1HZ LYS 19 1HZ LYS 19 -4.625 -11.192 -4.303 370 2HZ LYS 19 2HZ LYS 19 -3.426 -12.072 -5.007 371 3HZ LYS 19 3HZ LYS 19 -3.049 -10.852 -3.966 372 H LEU 20 H LEU 20 -6.420 -6.701 -1.595 373 HA LEU 20 HA LEU 20 -7.036 -9.270 -0.468 374 1HB LEU 20 1HB LEU 20 -6.547 -6.557 0.792 375 2HB LEU 20 2HB LEU 20 -6.662 -8.057 1.717 376 HG LEU 20 HG LEU 20 -4.649 -7.767 -0.558 377 1HD1 LEU 20 1HD1 LEU 20 -4.342 -6.989 2.358 378 2HD1 LEU 20 2HD1 LEU 20 -2.996 -7.157 1.208 379 3HD1 LEU 20 3HD1 LEU 20 -4.247 -5.922 0.955 380 1HD2 LEU 20 1HD2 LEU 20 -5.064 -10.072 0.265 381 2HD2 LEU 20 2HD2 LEU 20 -3.438 -9.505 0.668 382 3HD2 LEU 20 3HD2 LEU 20 -4.694 -9.539 1.916 383 H LYS 21 H LYS 21 -8.997 -6.305 -0.755 384 HA LYS 21 HA LYS 21 -11.240 -7.368 0.724 385 1HB LYS 21 1HB LYS 21 -10.827 -4.977 0.035 386 2HB LYS 21 2HB LYS 21 -11.349 -5.411 -1.600 387 1HG LYS 21 1HG LYS 21 -13.525 -6.235 -0.641 388 2HG LYS 21 2HG LYS 21 -13.000 -5.681 0.955 389 1HD LYS 21 1HD LYS 21 -13.384 -3.923 -1.522 390 2HD LYS 21 2HD LYS 21 -14.507 -4.065 -0.161 391 1HE LYS 21 1HE LYS 21 -12.648 -3.236 1.368 392 2HE LYS 21 2HE LYS 21 -11.677 -2.918 -0.080 393 1HZ LYS 21 1HZ LYS 21 -13.382 -1.448 -0.843 394 2HZ LYS 21 2HZ LYS 21 -14.296 -1.738 0.497 395 3HZ LYS 21 3HZ LYS 21 -12.838 -0.986 0.643 396 H ASN 22 H ASN 22 -10.465 -7.353 -2.771 397 HA ASN 22 HA ASN 22 -12.642 -8.794 -3.758 398 1HB ASN 22 1HB ASN 22 -10.733 -7.511 -4.952 399 2HB ASN 22 2HB ASN 22 -9.837 -9.032 -4.907 400 1HD2 ASN 22 1HD2 ASN 22 -12.292 -10.750 -5.442 401 2HD2 ASN 22 2HD2 ASN 22 -12.666 -10.363 -7.118 402 H CYS 23 H CYS 23 -9.652 -10.043 -2.302 403 HA CYS 23 HA CYS 23 -9.869 -12.800 -2.681 404 1HB CYS 23 1HB CYS 23 -8.052 -11.670 -1.476 405 2HB CYS 23 2HB CYS 23 -9.167 -11.292 -0.156 406 H LYS 24 H LYS 24 -11.891 -10.769 -0.624 407 HA LYS 24 HA LYS 24 -13.753 -10.980 0.449 408 1HB LYS 24 1HB LYS 24 -15.560 -12.140 -0.593 409 2HB LYS 24 2HB LYS 24 -14.554 -11.260 -1.747 410 1HG LYS 24 1HG LYS 24 -13.577 -13.295 -2.579 411 2HG LYS 24 2HG LYS 24 -14.349 -14.272 -1.309 412 1HD LYS 24 1HD LYS 24 -16.583 -13.623 -2.206 413 2HD LYS 24 2HD LYS 24 -15.797 -12.671 -3.476 414 1HE LYS 24 1HE LYS 24 -15.470 -15.687 -3.065 415 2HE LYS 24 2HE LYS 24 -16.529 -14.926 -4.264 416 1HZ LYS 24 1HZ LYS 24 -14.587 -13.917 -5.243 417 2HZ LYS 24 2HZ LYS 24 -13.606 -14.669 -4.156 418 3HZ LYS 24 3HZ LYS 24 -14.468 -15.561 -5.239 419 H VAL 25 H VAL 25 -12.460 -14.310 0.333 420 HA VAL 25 HA VAL 25 -14.101 -15.347 2.408 421 HB VAL 25 HB VAL 25 -12.408 -17.064 2.694 422 1HG1 VAL 25 1HG1 VAL 25 -13.960 -17.169 0.756 423 2HG1 VAL 25 2HG1 VAL 25 -12.734 -16.377 -0.259 424 3HG1 VAL 25 3HG1 VAL 25 -12.411 -17.971 0.444 425 1HG2 VAL 25 1HG2 VAL 25 -10.628 -15.399 0.864 426 2HG2 VAL 25 2HG2 VAL 25 -10.337 -15.744 2.582 427 3HG2 VAL 25 3HG2 VAL 25 -10.307 -17.056 1.400 428 1H GLU 1 1H GLU 1 -4.113 12.501 5.489 429 2H GLU 1 2H GLU 1 -5.211 13.252 4.512 430 3H GLU 1 3H GLU 1 -5.389 13.298 6.149 431 HA GLU 1 HA GLU 1 -4.590 15.387 5.508 432 1HB GLU 1 1HB GLU 1 -2.356 13.725 6.731 433 2HB GLU 1 2HB GLU 1 -2.515 15.485 6.814 434 1HG GLU 1 1HG GLU 1 -4.698 15.201 8.018 435 2HG GLU 1 2HG GLU 1 -4.435 13.451 8.050 436 H ASN 2 H ASN 2 -4.632 14.671 3.025 437 HA ASN 2 HA ASN 2 -3.808 15.267 1.030 438 1HB ASN 2 1HB ASN 2 -2.950 17.287 2.082 439 2HB ASN 2 2HB ASN 2 -1.457 16.469 2.550 440 1HD2 ASN 2 1HD2 ASN 2 -3.353 17.532 -0.309 441 2HD2 ASN 2 2HD2 ASN 2 -1.942 17.577 -1.356 442 H ARG 3 H ARG 3 -1.004 14.027 2.884 443 HA ARG 3 HA ARG 3 0.042 12.686 0.488 444 1HB ARG 3 1HB ARG 3 1.056 12.858 3.339 445 2HB ARG 3 2HB ARG 3 1.951 12.105 2.016 446 1HG ARG 3 1HG ARG 3 0.989 14.962 1.674 447 2HG ARG 3 2HG ARG 3 2.321 14.657 2.768 448 1HD ARG 3 1HD ARG 3 2.930 15.283 0.367 449 2HD ARG 3 2HD ARG 3 3.755 13.917 1.112 450 HE ARG 3 HE ARG 3 2.935 12.521 -0.471 451 1HH1 ARG 3 1HH1 ARG 3 0.644 15.296 -0.504 452 2HH1 ARG 3 2HH1 ARG 3 -0.006 14.754 -2.040 453 1HH2 ARG 3 1HH2 ARG 3 1.920 11.913 -2.363 454 2HH2 ARG 3 2HH2 ARG 3 0.654 12.930 -3.029 455 H GLU 4 H GLU 4 -0.947 11.604 3.739 456 HA GLU 4 HA GLU 4 -2.059 9.769 4.422 457 1HB GLU 4 1HB GLU 4 -3.141 9.986 1.602 458 2HB GLU 4 2HB GLU 4 -3.830 8.933 2.839 459 1HG GLU 4 1HG GLU 4 -4.314 10.753 4.313 460 2HG GLU 4 2HG GLU 4 -3.375 11.901 3.342 461 H VAL 5 H VAL 5 0.556 9.214 3.814 462 HA VAL 5 HA VAL 5 0.502 6.379 3.841 463 HB VAL 5 HB VAL 5 0.189 6.436 1.505 464 1HG1 VAL 5 1HG1 VAL 5 1.673 7.330 -0.120 465 2HG1 VAL 5 2HG1 VAL 5 1.252 8.660 0.965 466 3HG1 VAL 5 3HG1 VAL 5 2.840 7.874 1.074 467 1HG2 VAL 5 1HG2 VAL 5 1.561 4.661 2.525 468 2HG2 VAL 5 2HG2 VAL 5 1.922 4.963 0.821 469 3HG2 VAL 5 3HG2 VAL 5 3.031 5.557 2.075 470 HA PRO 6 HA PRO 6 4.149 8.280 5.837 471 1HB PRO 6 1HB PRO 6 4.175 6.909 8.180 472 2HB PRO 6 2HB PRO 6 2.976 8.188 7.835 473 1HG PRO 6 1HG PRO 6 2.607 5.194 7.490 474 2HG PRO 6 2HG PRO 6 1.547 6.329 8.363 475 1HD PRO 6 1HD PRO 6 1.075 5.585 5.796 476 2HD PRO 6 2HD PRO 6 0.718 7.251 6.348 477 HA PRO 7 HA PRO 7 7.223 5.157 4.577 478 1HB PRO 7 1HB PRO 7 8.616 6.177 7.071 479 2HB PRO 7 2HB PRO 7 9.330 5.792 5.478 480 1HG PRO 7 1HG PRO 7 8.793 8.367 6.098 481 2HG PRO 7 2HG PRO 7 8.311 7.739 4.493 482 1HD PRO 7 1HD PRO 7 6.567 8.134 6.935 483 2HD PRO 7 2HD PRO 7 6.250 8.535 5.218 484 H GLY 8 H GLY 8 6.193 5.390 7.978 485 1HA GLY 8 1HA GLY 8 6.802 2.883 9.021 486 2HA GLY 8 2HA GLY 8 5.328 3.791 9.378 487 H PHE 9 H PHE 9 4.160 3.691 6.705 488 HA PHE 9 HA PHE 9 2.936 1.064 6.749 489 1HB PHE 9 1HB PHE 9 1.660 2.938 5.918 490 2HB PHE 9 2HB PHE 9 2.874 3.293 4.688 491 HD1 PHE 9 1HD PHE 9 0.619 0.522 5.833 492 HD2 PHE 9 2HD PHE 9 2.756 2.297 2.540 493 HE1 PHE 9 1HE PHE 9 -0.234 -1.252 4.316 494 HE2 PHE 9 2HE PHE 9 1.871 0.552 1.022 495 HZ PHE 9 HZ PHE 9 0.400 -1.245 1.912 496 H THR 10 H THR 10 5.455 2.595 4.656 497 HA THR 10 HA THR 10 5.846 0.393 2.928 498 HB THR 10 HB THR 10 8.009 2.317 3.864 499 HG1 THR 10 1HG THR 10 6.029 2.664 1.867 500 1HG2 THR 10 1HG2 THR 10 8.799 2.051 1.546 501 2HG2 THR 10 2HG2 THR 10 8.772 0.485 2.378 502 3HG2 THR 10 3HG2 THR 10 7.495 0.895 1.212 503 H ALA 11 H ALA 11 7.511 1.239 5.996 504 HA ALA 11 HA ALA 11 9.190 -1.061 6.143 505 1HB ALA 11 1HB ALA 11 8.020 0.549 8.447 506 2HB ALA 11 2HB ALA 11 9.494 -0.446 8.459 507 3HB ALA 11 3HB ALA 11 9.432 1.025 7.480 508 H LEU 12 H LEU 12 5.936 -0.512 7.561 509 HA LEU 12 HA LEU 12 5.525 -3.042 8.729 510 1HB LEU 12 1HB LEU 12 4.156 -0.992 8.981 511 2HB LEU 12 2HB LEU 12 3.434 -1.273 7.404 512 HG LEU 12 HG LEU 12 3.328 -3.281 9.711 513 1HD1 LEU 12 1HD1 LEU 12 1.031 -2.372 10.061 514 2HD1 LEU 12 2HD1 LEU 12 2.295 -1.169 10.375 515 3HD1 LEU 12 3HD1 LEU 12 1.400 -1.128 8.841 516 1HD2 LEU 12 1HD2 LEU 12 2.756 -4.409 7.622 517 2HD2 LEU 12 2HD2 LEU 12 1.261 -4.057 8.458 518 3HD2 LEU 12 3HD2 LEU 12 1.755 -3.034 7.097 519 H ILE 13 H ILE 13 4.304 -2.016 5.473 520 HA ILE 13 HA ILE 13 3.426 -4.612 4.876 521 HB ILE 13 HB ILE 13 2.695 -2.389 3.870 522 1HG1 ILE 13 1HG1 ILE 13 2.104 -3.398 1.649 523 2HG1 ILE 13 2HG1 ILE 13 3.071 -4.818 2.072 524 1HG2 ILE 13 1HG2 ILE 13 5.001 -1.734 3.109 525 2HG2 ILE 13 2HG2 ILE 13 4.869 -2.940 1.816 526 3HG2 ILE 13 3HG2 ILE 13 3.737 -1.571 1.894 527 1HD1 ILE 13 1HD1 ILE 13 0.700 -3.741 3.682 528 2HD1 ILE 13 2HD1 ILE 13 0.615 -5.071 2.516 529 3HD1 ILE 13 3HD1 ILE 13 1.563 -5.265 3.987 530 H LYS 14 H LYS 14 6.610 -3.124 4.184 531 HA LYS 14 HA LYS 14 7.693 -5.310 2.707 532 1HB LYS 14 1HB LYS 14 8.788 -3.135 2.951 533 2HB LYS 14 2HB LYS 14 9.022 -3.423 4.684 534 1HG LYS 14 1HG LYS 14 10.518 -5.330 4.193 535 2HG LYS 14 2HG LYS 14 10.142 -5.199 2.469 536 1HD LYS 14 1HD LYS 14 12.315 -4.223 2.888 537 2HD LYS 14 2HD LYS 14 11.192 -2.944 2.406 538 1HE LYS 14 1HE LYS 14 10.944 -2.231 4.754 539 2HE LYS 14 2HE LYS 14 11.931 -3.600 5.303 540 1HZ LYS 14 1HZ LYS 14 13.766 -2.669 4.088 541 2HZ LYS 14 2HZ LYS 14 12.841 -1.406 3.574 542 3HZ LYS 14 3HZ LYS 14 13.183 -1.578 5.177 543 H THR 15 H THR 15 7.790 -4.712 6.279 544 HA THR 15 HA THR 15 8.883 -7.296 6.871 545 HB THR 15 HB THR 15 8.093 -6.915 9.212 546 HG1 THR 15 1HG THR 15 7.264 -4.449 8.068 547 1HG2 THR 15 1HG2 THR 15 10.340 -6.310 8.387 548 2HG2 THR 15 2HG2 THR 15 9.736 -4.701 7.931 549 3HG2 THR 15 3HG2 THR 15 9.752 -5.209 9.638 550 H LEU 16 H LEU 16 5.527 -6.350 6.353 551 HA LEU 16 HA LEU 16 4.374 -8.845 7.176 552 1HB LEU 16 1HB LEU 16 3.307 -6.488 6.530 553 2HB LEU 16 2HB LEU 16 3.145 -7.220 4.943 554 HG LEU 16 HG LEU 16 2.090 -8.399 7.562 555 1HD1 LEU 16 1HD1 LEU 16 0.584 -6.957 5.349 556 2HD1 LEU 16 2HD1 LEU 16 -0.109 -7.658 6.829 557 3HD1 LEU 16 3HD1 LEU 16 0.981 -6.268 6.940 558 1HD2 LEU 16 1HD2 LEU 16 0.678 -9.806 6.030 559 2HD2 LEU 16 2HD2 LEU 16 1.659 -9.238 4.662 560 3HD2 LEU 16 3HD2 LEU 16 2.391 -10.199 5.970 561 H ARG 17 H ARG 17 5.263 -7.632 3.920 562 HA ARG 17 HA ARG 17 4.782 -9.944 2.433 563 1HB ARG 17 1HB ARG 17 5.365 -7.650 1.567 564 2HB ARG 17 2HB ARG 17 7.034 -7.920 2.063 565 1HG ARG 17 1HG ARG 17 6.969 -8.362 -0.265 566 2HG ARG 17 2HG ARG 17 7.085 -9.942 0.510 567 1HD ARG 17 1HD ARG 17 5.476 -10.067 -1.280 568 2HD ARG 17 2HD ARG 17 4.589 -10.192 0.243 569 HE ARG 17 HE ARG 17 4.724 -7.445 -0.603 570 1HH1 ARG 17 1HH1 ARG 17 3.119 -10.474 -1.454 571 2HH1 ARG 17 2HH1 ARG 17 1.733 -9.676 -2.162 572 1HH2 ARG 17 1HH2 ARG 17 2.927 -6.418 -1.563 573 2HH2 ARG 17 2HH2 ARG 17 1.626 -7.388 -2.209 574 H LYS 18 H LYS 18 7.791 -9.006 4.163 575 HA LYS 18 HA LYS 18 9.254 -11.422 3.749 576 1HB LYS 18 1HB LYS 18 9.206 -9.401 6.011 577 2HB LYS 18 2HB LYS 18 10.274 -10.807 5.994 578 1HG LYS 18 1HG LYS 18 11.344 -10.087 3.949 579 2HG LYS 18 2HG LYS 18 10.197 -8.759 3.748 580 1HD LYS 18 1HD LYS 18 12.437 -8.049 4.662 581 2HD LYS 18 2HD LYS 18 11.049 -7.573 5.645 582 1HE LYS 18 1HE LYS 18 12.954 -8.400 7.025 583 2HE LYS 18 2HE LYS 18 11.484 -9.342 7.264 584 1HZ LYS 18 1HZ LYS 18 13.273 -10.793 7.056 585 2HZ LYS 18 2HZ LYS 18 12.392 -10.949 5.681 586 3HZ LYS 18 3HZ LYS 18 13.811 -10.108 5.644 587 H CYS 19 H CYS 19 7.368 -10.613 6.735 588 HA CYS 19 HA CYS 19 7.585 -13.056 7.990 589 1HB CYS 19 1HB CYS 19 6.645 -11.000 8.981 590 2HB CYS 19 2HB CYS 19 5.190 -11.196 7.993 591 H LYS 20 H LYS 20 5.041 -12.178 5.646 592 HA LYS 20 HA LYS 20 3.750 -14.800 5.755 593 1HB LYS 20 1HB LYS 20 2.515 -12.717 5.475 594 2HB LYS 20 2HB LYS 20 3.344 -12.389 3.946 595 1HG LYS 20 1HG LYS 20 2.339 -14.328 2.900 596 2HG LYS 20 2HG LYS 20 1.635 -14.878 4.424 597 1HD LYS 20 1HD LYS 20 0.961 -12.216 3.072 598 2HD LYS 20 2HD LYS 20 0.091 -13.723 2.754 599 1HE LYS 20 1HE LYS 20 -0.445 -13.908 5.205 600 2HE LYS 20 2HE LYS 20 0.272 -12.307 5.451 601 1HZ LYS 20 1HZ LYS 20 -1.331 -11.424 3.919 602 2HZ LYS 20 2HZ LYS 20 -1.986 -12.916 3.674 603 3HZ LYS 20 3HZ LYS 20 -2.095 -12.204 5.154 604 H ILE 21 H ILE 21 6.460 -13.530 3.991 605 HA ILE 21 HA ILE 21 7.695 -14.187 2.279 606 HB ILE 21 HB ILE 21 6.190 -16.831 2.269 607 1HG1 ILE 21 1HG1 ILE 21 7.238 -16.374 4.488 608 2HG1 ILE 21 2HG1 ILE 21 7.898 -17.760 3.634 609 1HG2 ILE 21 1HG2 ILE 21 7.344 -16.545 0.190 610 2HG2 ILE 21 2HG2 ILE 21 8.816 -15.995 1.008 611 3HG2 ILE 21 3HG2 ILE 21 8.266 -17.675 1.187 612 1HD1 ILE 21 1HD1 ILE 21 9.904 -16.514 3.011 613 2HD1 ILE 21 2HD1 ILE 21 9.246 -15.025 3.721 614 3HD1 ILE 21 3HD1 ILE 21 9.637 -16.404 4.755 615 H ILE 22 H ILE 22 4.391 -15.354 1.587 616 HA ILE 22 HA ILE 22 4.458 -14.514 -1.201 617 HB ILE 22 HB ILE 22 2.124 -15.250 0.609 618 1HG1 ILE 22 1HG1 ILE 22 3.692 -16.917 -1.417 619 2HG1 ILE 22 2HG1 ILE 22 3.804 -17.069 0.340 620 1HG2 ILE 22 1HG2 ILE 22 0.859 -15.574 -1.490 621 2HG2 ILE 22 2HG2 ILE 22 1.406 -13.913 -1.373 622 3HG2 ILE 22 3HG2 ILE 22 2.267 -15.046 -2.434 623 1HD1 ILE 22 1HD1 ILE 22 1.383 -17.731 -1.362 624 2HD1 ILE 22 2HD1 ILE 22 2.395 -18.819 -0.407 625 3HD1 ILE 22 3HD1 ILE 22 1.360 -17.637 0.418 626 1H ASN 1 1H ASN 1 -12.282 10.154 19.649 627 2H ASN 1 2H ASN 1 -11.065 10.650 20.637 628 3H ASN 1 3H ASN 1 -11.621 11.661 19.463 629 HA ASN 1 HA ASN 1 -9.510 10.672 18.899 630 1HB ASN 1 1HB ASN 1 -9.401 8.269 18.379 631 2HB ASN 1 2HB ASN 1 -9.718 8.590 20.088 632 1HD2 ASN 1 1HD2 ASN 1 -10.225 6.030 18.957 633 2HD2 ASN 1 2HD2 ASN 1 -11.972 5.828 18.954 634 H LEU 2 H LEU 2 -12.558 9.349 17.592 635 HA LEU 2 HA LEU 2 -11.830 8.877 15.058 636 1HB LEU 2 1HB LEU 2 -14.099 8.738 14.472 637 2HB LEU 2 2HB LEU 2 -13.942 8.217 16.147 638 HG LEU 2 HG LEU 2 -14.993 10.938 15.208 639 1HD1 LEU 2 1HD1 LEU 2 -16.469 9.051 14.634 640 2HD1 LEU 2 2HD1 LEU 2 -16.443 8.507 16.326 641 3HD1 LEU 2 3HD1 LEU 2 -17.181 10.066 15.898 642 1HD2 LEU 2 1HD2 LEU 2 -14.073 11.209 17.465 643 2HD2 LEU 2 2HD2 LEU 2 -15.827 11.123 17.575 644 3HD2 LEU 2 3HD2 LEU 2 -14.854 9.702 18.000 645 H VAL 3 H VAL 3 -12.614 12.146 16.125 646 HA VAL 3 HA VAL 3 -12.906 13.391 13.592 647 HB VAL 3 HB VAL 3 -12.163 15.446 14.698 648 1HG1 VAL 3 1HG1 VAL 3 -14.037 13.804 16.455 649 2HG1 VAL 3 2HG1 VAL 3 -13.946 15.571 16.348 650 3HG1 VAL 3 3HG1 VAL 3 -14.488 14.631 14.950 651 1HG2 VAL 3 1HG2 VAL 3 -11.523 13.691 17.117 652 2HG2 VAL 3 2HG2 VAL 3 -10.365 14.649 16.168 653 3HG2 VAL 3 3HG2 VAL 3 -11.614 15.459 17.113 654 H SER 4 H SER 4 -10.001 12.341 15.294 655 HA SER 4 HA SER 4 -8.326 13.030 12.898 656 1HB SER 4 1HB SER 4 -7.423 14.198 14.752 657 2HB SER 4 2HB SER 4 -7.533 12.771 15.800 658 HG SER 4 HG SER 4 -5.975 12.907 13.402 659 H GLY 5 H GLY 5 -8.542 10.616 15.540 660 1HA GLY 5 1HA GLY 5 -8.034 8.376 15.559 661 2HA GLY 5 2HA GLY 5 -8.095 8.348 13.797 662 H LEU 6 H LEU 6 -5.851 10.743 14.258 663 HA LEU 6 HA LEU 6 -3.862 9.259 13.107 664 1HB LEU 6 1HB LEU 6 -3.955 11.684 13.050 665 2HB LEU 6 2HB LEU 6 -3.616 11.780 14.782 666 HG LEU 6 HG LEU 6 -1.348 10.885 14.427 667 1HD1 LEU 6 1HD1 LEU 6 -2.107 10.849 11.472 668 2HD1 LEU 6 2HD1 LEU 6 -0.462 10.653 12.108 669 3HD1 LEU 6 3HD1 LEU 6 -1.688 9.434 12.465 670 1HD2 LEU 6 1HD2 LEU 6 -1.756 13.313 14.304 671 2HD2 LEU 6 2HD2 LEU 6 -0.438 12.826 13.224 672 3HD2 LEU 6 3HD2 LEU 6 -2.045 13.186 12.557 673 H ILE 7 H ILE 7 -3.797 10.205 16.581 674 HA ILE 7 HA ILE 7 -1.444 8.800 17.211 675 HB ILE 7 HB ILE 7 -2.043 8.966 19.507 676 1HG1 ILE 7 1HG1 ILE 7 -4.376 8.355 19.622 677 2HG1 ILE 7 2HG1 ILE 7 -4.073 9.905 20.380 678 1HG2 ILE 7 1HG2 ILE 7 -2.797 11.491 17.990 679 2HG2 ILE 7 2HG2 ILE 7 -2.274 11.387 19.680 680 3HG2 ILE 7 3HG2 ILE 7 -1.167 10.923 18.381 681 1HD1 ILE 7 1HD1 ILE 7 -6.159 10.021 19.219 682 2HD1 ILE 7 2HD1 ILE 7 -5.019 11.072 18.371 683 3HD1 ILE 7 3HD1 ILE 7 -5.454 9.482 17.697 684 H GLU 8 H GLU 8 -4.787 7.596 17.280 685 HA GLU 8 HA GLU 8 -4.203 5.030 18.429 686 1HB GLU 8 1HB GLU 8 -6.397 6.190 18.407 687 2HB GLU 8 2HB GLU 8 -6.519 5.941 16.659 688 1HG GLU 8 1HG GLU 8 -6.456 3.467 17.024 689 2HG GLU 8 2HG GLU 8 -6.344 3.739 18.772 690 H ALA 9 H ALA 9 -4.744 6.107 15.061 691 HA ALA 9 HA ALA 9 -4.215 3.674 13.724 692 1HB ALA 9 1HB ALA 9 -3.720 6.526 12.775 693 2HB ALA 9 2HB ALA 9 -3.958 5.081 11.760 694 3HB ALA 9 3HB ALA 9 -5.286 5.695 12.757 695 H ARG 10 H ARG 10 -1.973 6.324 14.654 696 HA ARG 10 HA ARG 10 0.422 5.179 13.636 697 1HB ARG 10 1HB ARG 10 0.164 7.543 14.425 698 2HB ARG 10 2HB ARG 10 0.072 6.936 16.084 699 1HG ARG 10 1HG ARG 10 2.373 5.750 15.477 700 2HG ARG 10 2HG ARG 10 2.427 6.906 14.160 701 1HD ARG 10 1HD ARG 10 2.488 8.763 15.677 702 2HD ARG 10 2HD ARG 10 1.972 7.789 17.054 703 HE ARG 10 HE ARG 10 4.668 8.061 16.027 704 1HH1 ARG 10 1HH1 ARG 10 2.537 5.839 17.744 705 2HH1 ARG 10 2HH1 ARG 10 3.846 4.913 18.444 706 1HH2 ARG 10 1HH2 ARG 10 6.352 6.838 16.893 707 2HH2 ARG 10 2HH2 ARG 10 6.006 5.414 17.857 708 H LYS 11 H LYS 11 -0.987 4.930 16.983 709 HA LYS 11 HA LYS 11 0.982 3.163 18.016 710 1HB LYS 11 1HB LYS 11 -1.954 3.551 18.668 711 2HB LYS 11 2HB LYS 11 -0.905 2.455 19.582 712 1HG LYS 11 1HG LYS 11 0.568 4.239 20.250 713 2HG LYS 11 2HG LYS 11 -0.222 5.395 19.168 714 1HD LYS 11 1HD LYS 11 -2.344 5.158 20.440 715 2HD LYS 11 2HD LYS 11 -1.549 4.023 21.552 716 1HE LYS 11 1HE LYS 11 0.080 5.799 22.190 717 2HE LYS 11 2HE LYS 11 -0.705 6.924 21.065 718 1HZ LYS 11 1HZ LYS 11 -1.467 7.229 23.301 719 2HZ LYS 11 2HZ LYS 11 -2.710 6.712 22.348 720 3HZ LYS 11 3HZ LYS 11 -1.981 5.666 23.393 721 H TYR 12 H TYR 12 -2.108 2.365 16.373 722 HA TYR 12 HA TYR 12 -1.861 -0.447 16.341 723 1HB TYR 12 1HB TYR 12 -3.828 0.966 15.740 724 2HB TYR 12 2HB TYR 12 -3.070 1.361 14.212 725 HD1 TYR 12 1HD TYR 12 -5.400 -0.754 15.780 726 HD2 TYR 12 2HD TYR 12 -2.360 -0.777 12.724 727 HE1 TYR 12 1HE TYR 12 -6.681 -2.449 14.496 728 HE2 TYR 12 2HE TYR 12 -3.677 -2.413 11.425 729 HH TYR 12 HH TYR 12 -5.620 -3.589 11.294 730 H LEU 13 H LEU 13 -0.896 1.834 13.737 731 HA LEU 13 HA LEU 13 0.393 0.131 11.956 732 1HB LEU 13 1HB LEU 13 -0.142 2.551 11.631 733 2HB LEU 13 2HB LEU 13 1.129 2.969 12.772 734 HG LEU 13 HG LEU 13 2.732 1.714 11.103 735 1HD1 LEU 13 1HD1 LEU 13 0.821 0.798 9.734 736 2HD1 LEU 13 2HD1 LEU 13 0.409 2.447 9.252 737 3HD1 LEU 13 3HD1 LEU 13 1.976 1.751 8.788 738 1HD2 LEU 13 1HD2 LEU 13 2.809 4.126 11.532 739 2HD2 LEU 13 2HD2 LEU 13 2.955 3.815 9.791 740 3HD2 LEU 13 3HD2 LEU 13 1.414 4.383 10.461 741 H GLU 14 H GLU 14 1.955 1.965 14.583 742 HA GLU 14 HA GLU 14 4.576 1.002 14.377 743 1HB GLU 14 1HB GLU 14 3.887 2.952 15.662 744 2HB GLU 14 2HB GLU 14 2.935 1.945 16.755 745 1HG GLU 14 1HG GLU 14 5.042 0.823 17.528 746 2HG GLU 14 2HG GLU 14 5.978 1.866 16.446 747 H GLN 15 H GLN 15 2.011 -0.232 16.626 748 HA GLN 15 HA GLN 15 3.634 -2.390 17.605 749 1HB GLN 15 1HB GLN 15 0.729 -1.633 17.739 750 2HB GLN 15 2HB GLN 15 1.188 -3.273 18.182 751 1HG GLN 15 1HG GLN 15 1.126 -1.593 20.100 752 2HG GLN 15 2HG GLN 15 2.545 -2.631 19.955 753 1HE2 GLN 15 1HE2 GLN 15 1.550 0.635 18.689 754 2HE2 GLN 15 2HE2 GLN 15 3.075 1.388 19.171 755 H LEU 16 H LEU 16 1.190 -2.344 14.984 756 HA LEU 16 HA LEU 16 1.326 -5.096 14.328 757 1HB LEU 16 1HB LEU 16 -0.282 -3.223 13.564 758 2HB LEU 16 2HB LEU 16 0.926 -2.818 12.356 759 HG LEU 16 HG LEU 16 -0.778 -4.108 11.347 760 1HD1 LEU 16 1HD1 LEU 16 1.565 -4.789 10.734 761 2HD1 LEU 16 2HD1 LEU 16 1.380 -6.185 11.823 762 3HD1 LEU 16 3HD1 LEU 16 0.314 -6.010 10.420 763 1HD2 LEU 16 1HD2 LEU 16 -1.573 -6.283 12.117 764 2HD2 LEU 16 2HD2 LEU 16 -0.480 -6.230 13.512 765 3HD2 LEU 16 3HD2 LEU 16 -1.802 -5.052 13.372 766 H HIS 17 H HIS 17 3.208 -2.335 12.924 767 HA HIS 17 HA HIS 17 4.959 -3.883 11.321 768 1HB HIS 17 1HB HIS 17 4.793 -1.468 11.112 769 2HB HIS 17 2HB HIS 17 5.405 -1.247 12.749 770 HD1 HIS 17 1HD HIS 17 7.119 -3.654 10.186 771 HD2 HIS 17 2HD HIS 17 7.640 -0.002 12.251 772 HE1 HIS 17 1HE HIS 17 9.517 -2.917 9.807 773 H ARG 18 H ARG 18 5.432 -2.829 14.749 774 HA ARG 18 HA ARG 18 7.942 -4.048 15.168 775 1HB ARG 18 1HB ARG 18 5.619 -3.483 17.021 776 2HB ARG 18 2HB ARG 18 7.120 -4.217 17.599 777 1HG ARG 18 1HG ARG 18 8.447 -2.342 16.901 778 2HG ARG 18 2HG ARG 18 7.083 -1.589 16.058 779 1HD ARG 18 1HD ARG 18 5.884 -1.290 18.158 780 2HD ARG 18 2HD ARG 18 7.161 -2.127 19.061 781 HE ARG 18 HE ARG 18 8.485 -0.098 17.722 782 1HH1 ARG 18 1HH1 ARG 18 5.758 -0.088 20.010 783 2HH1 ARG 18 2HH1 ARG 18 6.323 1.355 20.808 784 1HH2 ARG 18 1HH2 ARG 18 9.096 1.806 18.714 785 2HH2 ARG 18 2HH2 ARG 18 8.143 2.484 20.011 786 H LYS 19 H LYS 19 4.678 -5.537 15.648 787 HA LYS 19 HA LYS 19 5.554 -8.098 16.430 788 1HB LYS 19 1HB LYS 19 3.218 -7.281 16.454 789 2HB LYS 19 2HB LYS 19 3.169 -7.378 14.694 790 1HG LYS 19 1HG LYS 19 3.689 -9.904 14.935 791 2HG LYS 19 2HG LYS 19 3.569 -9.653 16.678 792 1HD LYS 19 1HD LYS 19 1.422 -10.330 16.280 793 2HD LYS 19 2HD LYS 19 1.184 -8.599 16.033 794 1HE LYS 19 1HE LYS 19 1.649 -10.731 13.874 795 2HE LYS 19 2HE LYS 19 0.107 -9.952 14.260 796 1HZ LYS 19 1HZ LYS 19 2.488 -8.619 13.181 797 2HZ LYS 19 2HZ LYS 19 1.099 -8.955 12.362 798 3HZ LYS 19 3HZ LYS 19 1.087 -7.860 13.594 799 H LEU 20 H LEU 20 4.962 -6.914 13.073 800 HA LEU 20 HA LEU 20 5.831 -9.341 11.792 801 1HB LEU 20 1HB LEU 20 5.779 -6.490 10.766 802 2HB LEU 20 2HB LEU 20 5.948 -7.938 9.764 803 HG LEU 20 HG LEU 20 3.516 -7.397 11.535 804 1HD1 LEU 20 1HD1 LEU 20 4.052 -6.834 8.615 805 2HD1 LEU 20 2HD1 LEU 20 2.436 -6.792 9.353 806 3HD1 LEU 20 3HD1 LEU 20 3.696 -5.656 9.881 807 1HD2 LEU 20 1HD2 LEU 20 4.054 -9.439 9.347 808 2HD2 LEU 20 2HD2 LEU 20 3.750 -9.771 11.062 809 3HD2 LEU 20 3HD2 LEU 20 2.462 -9.105 10.056 810 H LYS 21 H LYS 21 7.611 -6.397 12.689 811 HA LYS 21 HA LYS 21 10.121 -7.135 11.540 812 1HB LYS 21 1HB LYS 21 9.412 -4.875 12.155 813 2HB LYS 21 2HB LYS 21 9.473 -5.304 13.874 814 1HG LYS 21 1HG LYS 21 11.830 -5.419 13.887 815 2HG LYS 21 2HG LYS 21 11.927 -5.670 12.139 816 1HD LYS 21 1HD LYS 21 12.656 -3.388 12.733 817 2HD LYS 21 2HD LYS 21 11.241 -3.381 11.679 818 1HE LYS 21 1HE LYS 21 9.776 -3.009 13.705 819 2HE LYS 21 2HE LYS 21 11.245 -2.924 14.697 820 1HZ LYS 21 1HZ LYS 21 10.485 -0.769 14.056 821 2HZ LYS 21 2HZ LYS 21 11.915 -1.060 13.288 822 3HZ LYS 21 3HZ LYS 21 10.490 -1.172 12.458 823 H ASN 22 H ASN 22 8.587 -7.949 14.640 824 HA ASN 22 HA ASN 22 10.897 -9.469 15.621 825 1HB ASN 22 1HB ASN 22 8.004 -9.242 16.499 826 2HB ASN 22 2HB ASN 22 9.088 -10.476 17.146 827 1HD2 ASN 22 1HD2 ASN 22 8.881 -6.905 16.685 828 2HD2 ASN 22 2HD2 ASN 22 9.841 -6.564 18.131 829 H CYS 23 H CYS 23 7.878 -10.343 13.847 830 HA CYS 23 HA CYS 23 8.307 -13.124 13.633 831 1HB CYS 23 1HB CYS 23 6.271 -12.049 12.819 832 2HB CYS 23 2HB CYS 23 7.187 -11.212 11.566 833 H LYS 24 H LYS 24 9.605 -10.549 11.570 834 HA LYS 24 HA LYS 24 11.476 -10.236 10.482 835 1HB LYS 24 1HB LYS 24 13.502 -10.882 11.417 836 2HB LYS 24 2HB LYS 24 12.335 -10.615 12.713 837 1HG LYS 24 1HG LYS 24 12.183 -12.984 13.175 838 2HG LYS 24 2HG LYS 24 13.068 -13.393 11.703 839 1HD LYS 24 1HD LYS 24 14.525 -13.603 13.639 840 2HD LYS 24 2HD LYS 24 15.098 -12.322 12.568 841 1HE LYS 24 1HE LYS 24 15.279 -11.653 14.926 842 2HE LYS 24 2HE LYS 24 14.139 -10.601 14.085 843 1HZ LYS 24 1HZ LYS 24 13.327 -11.317 16.217 844 2HZ LYS 24 2HZ LYS 24 12.350 -11.890 15.023 845 3HZ LYS 24 3HZ LYS 24 13.416 -12.901 15.770 846 H VAL 25 H VAL 25 10.901 -13.748 10.383 847 HA VAL 25 HA VAL 25 12.744 -14.409 8.368 848 HB VAL 25 HB VAL 25 11.308 -16.341 7.903 849 1HG1 VAL 25 1HG1 VAL 25 11.471 -15.757 10.890 850 2HG1 VAL 25 2HG1 VAL 25 11.373 -17.345 10.113 851 3HG1 VAL 25 3HG1 VAL 25 12.810 -16.336 9.876 852 1HG2 VAL 25 1HG2 VAL 25 9.064 -15.329 8.011 853 2HG2 VAL 25 2HG2 VAL 25 9.195 -16.690 9.128 854 3HG2 VAL 25 3HG2 VAL 25 9.260 -15.033 9.751 Start of MODEL 19 1 1H GLU 1 1H GLU 1 8.336 13.058 9.257 2 2H GLU 1 2H GLU 1 9.015 11.866 10.174 3 3H GLU 1 3H GLU 1 9.178 13.443 10.613 4 HA GLU 1 HA GLU 1 7.589 12.437 12.020 5 1HB GLU 1 1HB GLU 1 7.371 14.837 11.275 6 2HB GLU 1 2HB GLU 1 6.247 14.294 10.027 7 1HG GLU 1 1HG GLU 1 4.919 13.206 12.066 8 2HG GLU 1 2HG GLU 1 5.925 14.261 13.056 9 H ASN 2 H ASN 2 7.566 10.127 11.176 10 HA ASN 2 HA ASN 2 5.474 9.397 9.283 11 1HB ASN 2 1HB ASN 2 7.679 8.196 9.689 12 2HB ASN 2 2HB ASN 2 6.972 7.536 11.165 13 1HD2 ASN 2 1HD2 ASN 2 4.599 6.529 10.653 14 2HD2 ASN 2 2HD2 ASN 2 4.576 5.519 9.210 15 H ARG 3 H ARG 3 4.036 10.874 10.827 16 HA ARG 3 HA ARG 3 2.598 9.161 12.820 17 1HB ARG 3 1HB ARG 3 3.395 11.541 13.357 18 2HB ARG 3 2HB ARG 3 2.096 12.094 12.286 19 1HG ARG 3 1HG ARG 3 0.530 10.574 13.737 20 2HG ARG 3 2HG ARG 3 1.899 10.458 14.849 21 1HD ARG 3 1HD ARG 3 0.339 12.935 14.037 22 2HD ARG 3 2HD ARG 3 0.421 12.191 15.621 23 HE ARG 3 HE ARG 3 2.700 12.891 15.896 24 1HH1 ARG 3 1HH1 ARG 3 1.127 14.455 13.110 25 2HH1 ARG 3 2HH1 ARG 3 2.334 15.714 13.037 26 1HH2 ARG 3 1HH2 ARG 3 4.197 14.555 15.742 27 2HH2 ARG 3 2HH2 ARG 3 4.081 15.721 14.435 28 H GLU 4 H GLU 4 2.150 10.966 9.808 29 HA GLU 4 HA GLU 4 -0.674 11.004 9.868 30 1HB GLU 4 1HB GLU 4 0.983 12.636 8.882 31 2HB GLU 4 2HB GLU 4 1.140 11.545 7.498 32 1HG GLU 4 1HG GLU 4 -1.330 11.802 7.082 33 2HG GLU 4 2HG GLU 4 -1.442 12.862 8.496 34 H VAL 5 H VAL 5 -0.615 8.461 10.191 35 HA VAL 5 HA VAL 5 -0.666 6.919 7.742 36 HB VAL 5 HB VAL 5 0.120 5.988 9.822 37 1HG1 VAL 5 1HG1 VAL 5 -2.754 6.097 10.809 38 2HG1 VAL 5 2HG1 VAL 5 -1.384 5.306 11.604 39 3HG1 VAL 5 3HG1 VAL 5 -1.412 7.064 11.454 40 1HG2 VAL 5 1HG2 VAL 5 -2.365 4.579 8.783 41 2HG2 VAL 5 2HG2 VAL 5 -0.722 4.461 8.101 42 3HG2 VAL 5 3HG2 VAL 5 -1.057 3.837 9.722 43 HA PRO 6 HA PRO 6 -4.907 8.056 6.924 44 1HB PRO 6 1HB PRO 6 -5.327 6.820 4.541 45 2HB PRO 6 2HB PRO 6 -4.071 8.078 4.725 46 1HG PRO 6 1HG PRO 6 -3.687 5.067 4.878 47 2HG PRO 6 2HG PRO 6 -2.801 6.226 3.851 48 1HD PRO 6 1HD PRO 6 -1.855 5.407 6.277 49 2HD PRO 6 2HD PRO 6 -1.595 7.074 5.692 50 HA PRO 7 HA PRO 7 -7.547 4.730 8.433 51 1HB PRO 7 1HB PRO 7 -9.936 5.203 7.170 52 2HB PRO 7 2HB PRO 7 -9.293 6.236 8.480 53 1HG PRO 7 1HG PRO 7 -9.036 6.695 5.492 54 2HG PRO 7 2HG PRO 7 -9.607 7.851 6.730 55 1HD PRO 7 1HD PRO 7 -7.051 7.905 5.879 56 2HD PRO 7 2HD PRO 7 -7.412 8.114 7.614 57 H GLY 8 H GLY 8 -7.106 5.254 4.965 58 1HA GLY 8 1HA GLY 8 -7.842 2.841 3.794 59 2HA GLY 8 2HA GLY 8 -6.399 3.772 3.372 60 H PHE 9 H PHE 9 -5.016 3.450 5.950 61 HA PHE 9 HA PHE 9 -3.785 0.856 5.549 62 1HB PHE 9 1HB PHE 9 -2.469 2.644 6.475 63 2HB PHE 9 2HB PHE 9 -3.642 2.912 7.763 64 HD1 PHE 9 1HD PHE 9 -3.089 2.154 9.883 65 HD2 PHE 9 2HD PHE 9 -1.666 -0.012 6.437 66 HE1 PHE 9 1HE PHE 9 -1.912 0.576 11.368 67 HE2 PHE 9 2HE PHE 9 -0.503 -1.616 7.934 68 HZ PHE 9 HZ PHE 9 -0.656 -1.349 10.406 69 H THR 10 H THR 10 -6.007 2.157 8.095 70 HA THR 10 HA THR 10 -6.342 -0.231 9.543 71 HB THR 10 HB THR 10 -8.465 1.911 9.094 72 HG1 THR 10 1HG THR 10 -6.262 1.905 10.876 73 1HG2 THR 10 1HG2 THR 10 -7.768 0.154 11.496 74 2HG2 THR 10 2HG2 THR 10 -9.013 1.418 11.451 75 3HG2 THR 10 3HG2 THR 10 -9.193 -0.036 10.452 76 H ALA 11 H ALA 11 -8.207 1.016 6.744 77 HA ALA 11 HA ALA 11 -10.040 -1.179 6.571 78 1HB ALA 11 1HB ALA 11 -9.084 0.741 4.420 79 2HB ALA 11 2HB ALA 11 -10.553 -0.269 4.367 80 3HB ALA 11 3HB ALA 11 -10.408 1.029 5.564 81 H LEU 12 H LEU 12 -6.880 -0.626 4.908 82 HA LEU 12 HA LEU 12 -6.768 -3.070 3.485 83 1HB LEU 12 1HB LEU 12 -5.250 -1.264 3.099 84 2HB LEU 12 2HB LEU 12 -4.510 -1.428 4.690 85 HG LEU 12 HG LEU 12 -4.560 -3.811 2.818 86 1HD1 LEU 12 1HD1 LEU 12 -2.378 -3.027 1.875 87 2HD1 LEU 12 2HD1 LEU 12 -3.747 -2.012 1.405 88 3HD1 LEU 12 3HD1 LEU 12 -2.646 -1.466 2.687 89 1HD2 LEU 12 1HD2 LEU 12 -2.313 -4.228 3.880 90 2HD2 LEU 12 2HD2 LEU 12 -2.562 -2.808 4.912 91 3HD2 LEU 12 3HD2 LEU 12 -3.601 -4.235 5.071 92 H ILE 13 H ILE 13 -5.609 -2.365 6.839 93 HA ILE 13 HA ILE 13 -4.818 -5.020 7.469 94 HB ILE 13 HB ILE 13 -5.815 -2.723 9.169 95 1HG1 ILE 13 1HG1 ILE 13 -3.611 -2.437 8.057 96 2HG1 ILE 13 2HG1 ILE 13 -3.542 -2.418 9.815 97 1HG2 ILE 13 1HG2 ILE 13 -4.851 -5.434 10.143 98 2HG2 ILE 13 2HG2 ILE 13 -4.937 -3.966 11.145 99 3HG2 ILE 13 3HG2 ILE 13 -6.406 -4.646 10.470 100 1HD1 ILE 13 1HD1 ILE 13 -2.701 -4.780 9.787 101 2HD1 ILE 13 2HD1 ILE 13 -2.708 -4.737 8.009 102 3HD1 ILE 13 3HD1 ILE 13 -1.655 -3.653 8.917 103 H LYS 14 H LYS 14 -8.024 -3.473 8.031 104 HA LYS 14 HA LYS 14 -9.303 -5.715 9.139 105 1HB LYS 14 1HB LYS 14 -10.179 -3.412 9.027 106 2HB LYS 14 2HB LYS 14 -10.505 -3.606 7.297 107 1HG LYS 14 1HG LYS 14 -12.029 -5.536 7.845 108 2HG LYS 14 2HG LYS 14 -11.746 -5.240 9.565 109 1HD LYS 14 1HD LYS 14 -12.964 -3.244 7.586 110 2HD LYS 14 2HD LYS 14 -13.877 -4.262 8.710 111 1HE LYS 14 1HE LYS 14 -12.658 -3.172 10.630 112 2HE LYS 14 2HE LYS 14 -11.905 -2.057 9.472 113 1HZ LYS 14 1HZ LYS 14 -14.788 -2.356 9.918 114 2HZ LYS 14 2HZ LYS 14 -13.845 -1.116 10.453 115 3HZ LYS 14 3HZ LYS 14 -14.082 -1.332 8.837 116 H THR 15 H THR 15 -9.248 -4.779 5.661 117 HA THR 15 HA THR 15 -10.548 -7.165 4.750 118 HB THR 15 HB THR 15 -9.557 -6.588 2.518 119 HG1 THR 15 1HG THR 15 -8.665 -4.279 3.915 120 1HG2 THR 15 1HG2 THR 15 -11.792 -5.813 3.268 121 2HG2 THR 15 2HG2 THR 15 -11.048 -4.370 3.990 122 3HG2 THR 15 3HG2 THR 15 -10.992 -4.624 2.232 123 H LEU 16 H LEU 16 -7.050 -6.468 5.056 124 HA LEU 16 HA LEU 16 -6.037 -8.924 4.131 125 1HB LEU 16 1HB LEU 16 -4.703 -6.975 4.611 126 2HB LEU 16 2HB LEU 16 -5.022 -7.082 6.333 127 HG LEU 16 HG LEU 16 -3.717 -9.434 4.945 128 1HD1 LEU 16 1HD1 LEU 16 -1.503 -8.386 5.302 129 2HD1 LEU 16 2HD1 LEU 16 -2.466 -7.474 4.135 130 3HD1 LEU 16 3HD1 LEU 16 -2.296 -6.876 5.799 131 1HD2 LEU 16 1HD2 LEU 16 -2.488 -9.519 7.154 132 2HD2 LEU 16 2HD2 LEU 16 -3.463 -8.157 7.719 133 3HD2 LEU 16 3HD2 LEU 16 -4.228 -9.714 7.348 134 H ARG 17 H ARG 17 -7.086 -8.100 7.486 135 HA ARG 17 HA ARG 17 -6.670 -10.755 8.508 136 1HB ARG 17 1HB ARG 17 -8.472 -8.479 9.412 137 2HB ARG 17 2HB ARG 17 -8.316 -9.997 10.292 138 1HG ARG 17 1HG ARG 17 -6.060 -8.019 9.727 139 2HG ARG 17 2HG ARG 17 -6.891 -8.276 11.260 140 1HD ARG 17 1HD ARG 17 -4.994 -10.170 9.819 141 2HD ARG 17 2HD ARG 17 -4.771 -9.430 11.387 142 HE ARG 17 HE ARG 17 -6.281 -11.839 10.741 143 1HH1 ARG 17 1HH1 ARG 17 -6.034 -9.265 13.129 144 2HH1 ARG 17 2HH1 ARG 17 -6.758 -10.219 14.405 145 1HH2 ARG 17 1HH2 ARG 17 -7.216 -13.034 12.333 146 2HH2 ARG 17 2HH2 ARG 17 -7.441 -12.388 13.949 147 H LYS 18 H LYS 18 -9.660 -9.256 7.132 148 HA LYS 18 HA LYS 18 -11.259 -11.610 7.408 149 1HB LYS 18 1HB LYS 18 -11.321 -9.403 5.320 150 2HB LYS 18 2HB LYS 18 -12.568 -10.641 5.475 151 1HG LYS 18 1HG LYS 18 -11.826 -8.707 7.718 152 2HG LYS 18 2HG LYS 18 -13.121 -8.445 6.545 153 1HD LYS 18 1HD LYS 18 -14.201 -10.587 7.293 154 2HD LYS 18 2HD LYS 18 -12.952 -10.750 8.545 155 1HE LYS 18 1HE LYS 18 -13.615 -8.553 9.501 156 2HE LYS 18 2HE LYS 18 -14.891 -8.410 8.276 157 1HZ LYS 18 1HZ LYS 18 -15.728 -9.267 10.335 158 2HZ LYS 18 2HZ LYS 18 -15.865 -10.409 9.155 159 3HZ LYS 18 3HZ LYS 18 -14.680 -10.538 10.292 160 H CYS 19 H CYS 19 -9.061 -10.687 4.759 161 HA CYS 19 HA CYS 19 -9.526 -12.927 3.064 162 1HB CYS 19 1HB CYS 19 -8.450 -10.905 2.310 163 2HB CYS 19 2HB CYS 19 -7.132 -11.103 3.458 164 H LYS 20 H LYS 20 -6.838 -12.377 5.384 165 HA LYS 20 HA LYS 20 -5.798 -15.059 4.901 166 1HB LYS 20 1HB LYS 20 -4.409 -13.058 4.943 167 2HB LYS 20 2HB LYS 20 -4.812 -12.777 6.647 168 1HG LYS 20 1HG LYS 20 -3.588 -14.691 7.366 169 2HG LYS 20 2HG LYS 20 -3.578 -15.401 5.749 170 1HD LYS 20 1HD LYS 20 -1.353 -14.524 6.324 171 2HD LYS 20 2HD LYS 20 -2.043 -13.719 4.913 172 1HE LYS 20 1HE LYS 20 -0.949 -12.084 6.354 173 2HE LYS 20 2HE LYS 20 -2.687 -11.772 6.312 174 1HZ LYS 20 1HZ LYS 20 -1.264 -13.218 8.444 175 2HZ LYS 20 2HZ LYS 20 -1.771 -11.651 8.526 176 3HZ LYS 20 3HZ LYS 20 -2.875 -12.867 8.433 177 H ILE 21 H ILE 21 -7.847 -13.672 7.341 178 HA ILE 21 HA ILE 21 -8.822 -14.461 9.179 179 HB ILE 21 HB ILE 21 -7.598 -17.195 8.661 180 1HG1 ILE 21 1HG1 ILE 21 -8.826 -16.553 6.656 181 2HG1 ILE 21 2HG1 ILE 21 -9.681 -17.798 7.553 182 1HG2 ILE 21 1HG2 ILE 21 -9.960 -16.285 10.340 183 2HG2 ILE 21 2HG2 ILE 21 -9.568 -17.974 9.956 184 3HG2 ILE 21 3HG2 ILE 21 -8.442 -17.000 10.907 185 1HD1 ILE 21 1HD1 ILE 21 -11.263 -16.112 8.440 186 2HD1 ILE 21 2HD1 ILE 21 -10.384 -14.829 7.576 187 3HD1 ILE 21 3HD1 ILE 21 -11.215 -16.098 6.670 188 H ILE 22 H ILE 22 -5.594 -15.984 9.097 189 HA ILE 22 HA ILE 22 -4.996 -15.503 11.886 190 HB ILE 22 HB ILE 22 -3.184 -15.997 9.488 191 1HG1 ILE 22 1HG1 ILE 22 -4.250 -17.900 11.631 192 2HG1 ILE 22 2HG1 ILE 22 -4.830 -17.818 9.964 193 1HG2 ILE 22 1HG2 ILE 22 -1.920 -14.945 11.348 194 2HG2 ILE 22 2HG2 ILE 22 -2.561 -16.162 12.472 195 3HG2 ILE 22 3HG2 ILE 22 -1.459 -16.623 11.158 196 1HD1 ILE 22 1HD1 ILE 22 -2.080 -18.729 10.856 197 2HD1 ILE 22 2HD1 ILE 22 -3.359 -19.665 10.078 198 3HD1 ILE 22 3HD1 ILE 22 -2.522 -18.396 9.162 199 1H ASN 1 1H ASN 1 9.622 12.426 -3.085 200 2H ASN 1 2H ASN 1 10.731 11.609 -2.174 201 3H ASN 1 3H ASN 1 10.048 12.992 -1.586 202 HA ASN 1 HA ASN 1 8.680 10.485 -2.172 203 1HB ASN 1 1HB ASN 1 8.276 10.326 0.269 204 2HB ASN 1 2HB ASN 1 9.958 10.143 -0.240 205 1HD2 ASN 1 1HD2 ASN 1 10.193 10.522 2.189 206 2HD2 ASN 1 2HD2 ASN 1 10.438 12.205 2.647 207 H LEU 2 H LEU 2 8.123 13.656 -0.540 208 HA LEU 2 HA LEU 2 5.337 13.688 -0.720 209 1HB LEU 2 1HB LEU 2 5.410 16.009 -0.454 210 2HB LEU 2 2HB LEU 2 6.750 15.340 0.474 211 HG LEU 2 HG LEU 2 6.949 16.755 -2.235 212 1HD1 LEU 2 1HD1 LEU 2 6.346 18.230 -0.356 213 2HD1 LEU 2 2HD1 LEU 2 7.749 17.642 0.563 214 3HD1 LEU 2 3HD1 LEU 2 7.986 18.558 -0.940 215 1HD2 LEU 2 1HD2 LEU 2 9.148 15.688 -0.402 216 2HD2 LEU 2 2HD2 LEU 2 8.815 15.170 -2.074 217 3HD2 LEU 2 3HD2 LEU 2 9.409 16.797 -1.760 218 H VAL 3 H VAL 3 3.845 14.074 -2.246 219 HA VAL 3 HA VAL 3 2.876 13.675 -4.186 220 HB VAL 3 HB VAL 3 3.271 15.090 -6.104 221 1HG1 VAL 3 1HG1 VAL 3 2.512 17.129 -4.983 222 2HG1 VAL 3 2HG1 VAL 3 1.765 15.702 -4.252 223 3HG1 VAL 3 3HG1 VAL 3 3.105 16.525 -3.425 224 1HG2 VAL 3 1HG2 VAL 3 4.701 17.045 -5.995 225 2HG2 VAL 3 2HG2 VAL 3 5.418 16.512 -4.475 226 3HG2 VAL 3 3HG2 VAL 3 5.706 15.604 -5.982 227 H SER 4 H SER 4 6.230 13.854 -5.254 228 HA SER 4 HA SER 4 6.448 12.121 -7.352 229 1HB SER 4 1HB SER 4 8.775 11.713 -6.467 230 2HB SER 4 2HB SER 4 8.302 13.416 -6.495 231 HG SER 4 HG SER 4 7.857 13.289 -4.257 232 H GLY 5 H GLY 5 7.253 10.966 -4.093 233 1HA GLY 5 1HA GLY 5 6.896 8.139 -4.763 234 2HA GLY 5 2HA GLY 5 7.190 8.824 -3.158 235 H LEU 6 H LEU 6 5.128 10.530 -2.812 236 HA LEU 6 HA LEU 6 3.137 9.141 -1.642 237 1HB LEU 6 1HB LEU 6 3.674 11.577 -1.570 238 2HB LEU 6 2HB LEU 6 2.730 11.805 -3.037 239 HG LEU 6 HG LEU 6 1.505 10.607 -0.525 240 1HD1 LEU 6 1HD1 LEU 6 0.817 12.901 0.078 241 2HD1 LEU 6 2HD1 LEU 6 2.577 12.775 0.045 242 3HD1 LEU 6 3HD1 LEU 6 1.717 13.552 -1.304 243 1HD2 LEU 6 1HD2 LEU 6 -0.572 11.647 -1.476 244 2HD2 LEU 6 2HD2 LEU 6 0.341 12.114 -2.921 245 3HD2 LEU 6 3HD2 LEU 6 0.081 10.401 -2.527 246 H ILE 7 H ILE 7 2.731 10.373 -5.045 247 HA ILE 7 HA ILE 7 0.163 9.156 -5.340 248 HB ILE 7 HB ILE 7 0.415 9.407 -7.726 249 1HG1 ILE 7 1HG1 ILE 7 3.323 10.117 -7.162 250 2HG1 ILE 7 2HG1 ILE 7 2.711 8.760 -8.114 251 1HG2 ILE 7 1HG2 ILE 7 1.485 11.856 -6.273 252 2HG2 ILE 7 2HG2 ILE 7 0.502 11.810 -7.749 253 3HG2 ILE 7 3HG2 ILE 7 -0.197 11.301 -6.213 254 1HD1 ILE 7 1HD1 ILE 7 3.473 10.437 -9.629 255 2HD1 ILE 7 2HD1 ILE 7 1.701 10.387 -9.727 256 3HD1 ILE 7 3HD1 ILE 7 2.520 11.700 -8.841 257 H GLU 8 H GLU 8 3.406 7.766 -5.916 258 HA GLU 8 HA GLU 8 2.356 5.304 -7.015 259 1HB GLU 8 1HB GLU 8 4.616 6.093 -7.530 260 2HB GLU 8 2HB GLU 8 5.085 5.961 -5.830 261 1HG GLU 8 1HG GLU 8 5.861 4.024 -7.193 262 2HG GLU 8 2HG GLU 8 4.797 3.528 -5.875 263 H ALA 9 H ALA 9 3.347 6.383 -3.764 264 HA ALA 9 HA ALA 9 2.932 3.943 -2.370 265 1HB ALA 9 1HB ALA 9 2.506 6.773 -1.345 266 2HB ALA 9 2HB ALA 9 2.818 5.314 -0.384 267 3HB ALA 9 3HB ALA 9 4.073 5.946 -1.459 268 H ARG 10 H ARG 10 0.617 6.592 -3.141 269 HA ARG 10 HA ARG 10 -1.716 5.321 -2.070 270 1HB ARG 10 1HB ARG 10 -1.322 7.391 -4.255 271 2HB ARG 10 2HB ARG 10 -2.907 6.724 -3.843 272 1HG ARG 10 1HG ARG 10 -2.571 7.396 -1.471 273 2HG ARG 10 2HG ARG 10 -1.061 8.202 -1.922 274 1HD ARG 10 1HD ARG 10 -2.213 9.761 -3.350 275 2HD ARG 10 2HD ARG 10 -3.713 8.842 -3.306 276 HE ARG 10 HE ARG 10 -2.853 10.817 -1.397 277 1HH1 ARG 10 1HH1 ARG 10 -4.692 7.818 -1.610 278 2HH1 ARG 10 2HH1 ARG 10 -5.773 8.250 -0.303 279 1HH2 ARG 10 1HH2 ARG 10 -4.247 11.380 0.199 280 2HH2 ARG 10 2HH2 ARG 10 -5.498 10.286 0.768 281 H LYS 11 H LYS 11 -0.397 5.166 -5.452 282 HA LYS 11 HA LYS 11 -2.347 3.357 -6.444 283 1HB LYS 11 1HB LYS 11 0.596 3.656 -7.144 284 2HB LYS 11 2HB LYS 11 -0.524 2.616 -8.028 285 1HG LYS 11 1HG LYS 11 -1.940 4.504 -8.619 286 2HG LYS 11 2HG LYS 11 -0.948 5.608 -7.659 287 1HD LYS 11 1HD LYS 11 1.046 4.987 -9.086 288 2HD LYS 11 2HD LYS 11 -0.032 4.044 -10.122 289 1HE LYS 11 1HE LYS 11 -0.255 7.047 -9.552 290 2HE LYS 11 2HE LYS 11 0.428 6.326 -11.018 291 1HZ LYS 11 1HZ LYS 11 -1.827 6.977 -11.357 292 2HZ LYS 11 2HZ LYS 11 -1.708 5.337 -11.456 293 3HZ LYS 11 3HZ LYS 11 -2.349 6.038 -10.110 294 H TYR 12 H TYR 12 0.835 2.518 -5.044 295 HA TYR 12 HA TYR 12 0.683 -0.259 -4.869 296 1HB TYR 12 1HB TYR 12 2.672 0.975 -4.428 297 2HB TYR 12 2HB TYR 12 1.915 1.901 -3.151 298 HD1 TYR 12 1HD TYR 12 3.021 -1.577 -4.006 299 HD2 TYR 12 2HD TYR 12 2.209 1.319 -0.920 300 HE1 TYR 12 1HE TYR 12 4.270 -2.963 -2.370 301 HE2 TYR 12 2HE TYR 12 3.367 -0.130 0.737 302 HH TYR 12 HH TYR 12 4.908 -3.193 -0.194 303 H LEU 13 H LEU 13 -0.312 2.042 -2.278 304 HA LEU 13 HA LEU 13 -1.497 0.234 -0.499 305 1HB LEU 13 1HB LEU 13 -1.079 2.544 0.077 306 2HB LEU 13 2HB LEU 13 -2.158 3.114 -1.192 307 HG LEU 13 HG LEU 13 -4.118 2.217 -0.005 308 1HD1 LEU 13 1HD1 LEU 13 -3.067 0.331 1.202 309 2HD1 LEU 13 2HD1 LEU 13 -2.132 1.474 2.193 310 3HD1 LEU 13 3HD1 LEU 13 -3.901 1.414 2.321 311 1HD2 LEU 13 1HD2 LEU 13 -4.089 3.829 1.847 312 2HD2 LEU 13 2HD2 LEU 13 -2.321 3.962 1.727 313 3HD2 LEU 13 3HD2 LEU 13 -3.352 4.529 0.394 314 H GLU 14 H GLU 14 -3.154 2.005 -3.176 315 HA GLU 14 HA GLU 14 -5.696 0.852 -2.707 316 1HB GLU 14 1HB GLU 14 -4.938 2.906 -4.130 317 2HB GLU 14 2HB GLU 14 -4.789 1.753 -5.457 318 1HG GLU 14 1HG GLU 14 -7.273 2.379 -3.772 319 2HG GLU 14 2HG GLU 14 -6.989 2.884 -5.440 320 H GLN 15 H GLN 15 -3.151 -0.134 -5.012 321 HA GLN 15 HA GLN 15 -4.349 -2.404 -6.205 322 1HB GLN 15 1HB GLN 15 -1.590 -1.366 -5.804 323 2HB GLN 15 2HB GLN 15 -1.668 -3.109 -5.811 324 1HG GLN 15 1HG GLN 15 -1.190 -2.307 -8.025 325 2HG GLN 15 2HG GLN 15 -2.711 -3.198 -7.971 326 1HE2 GLN 15 1HE2 GLN 15 -2.368 0.267 -6.998 327 2HE2 GLN 15 2HE2 GLN 15 -3.291 0.846 -8.376 328 H LEU 16 H LEU 16 -2.175 -2.392 -3.332 329 HA LEU 16 HA LEU 16 -2.573 -5.104 -2.602 330 1HB LEU 16 1HB LEU 16 -1.983 -2.632 -0.924 331 2HB LEU 16 2HB LEU 16 -1.939 -4.274 -0.277 332 HG LEU 16 HG LEU 16 -0.193 -3.362 -2.606 333 1HD1 LEU 16 1HD1 LEU 16 1.606 -3.267 -0.879 334 2HD1 LEU 16 2HD1 LEU 16 0.353 -2.038 -0.629 335 3HD1 LEU 16 3HD1 LEU 16 0.386 -3.499 0.386 336 1HD2 LEU 16 1HD2 LEU 16 -0.471 -5.816 -2.492 337 2HD2 LEU 16 2HD2 LEU 16 1.148 -5.359 -1.960 338 3HD2 LEU 16 3HD2 LEU 16 -0.083 -5.793 -0.757 339 H HIS 17 H HIS 17 -4.289 -2.215 -1.328 340 HA HIS 17 HA HIS 17 -5.973 -3.583 0.422 341 1HB HIS 17 1HB HIS 17 -5.587 -1.120 0.327 342 2HB HIS 17 2HB HIS 17 -6.635 -1.034 -1.092 343 HD1 HIS 17 1HD HIS 17 -8.417 -3.446 0.879 344 HD2 HIS 17 2HD HIS 17 -7.601 0.679 1.223 345 HE1 HIS 17 1HE HIS 17 -10.197 -2.456 2.433 346 H ARG 18 H ARG 18 -6.670 -2.756 -3.060 347 HA ARG 18 HA ARG 18 -9.283 -3.917 -2.856 348 1HB ARG 18 1HB ARG 18 -9.656 -3.537 -5.051 349 2HB ARG 18 2HB ARG 18 -8.662 -2.183 -4.517 350 1HG ARG 18 1HG ARG 18 -6.722 -3.092 -5.697 351 2HG ARG 18 2HG ARG 18 -7.594 -4.596 -6.064 352 1HD ARG 18 1HD ARG 18 -9.282 -3.361 -7.352 353 2HD ARG 18 2HD ARG 18 -8.430 -1.849 -7.068 354 HE ARG 18 HE ARG 18 -7.704 -4.073 -8.869 355 1HH1 ARG 18 1HH1 ARG 18 -6.543 -1.039 -7.377 356 2HH1 ARG 18 2HH1 ARG 18 -5.260 -0.897 -8.566 357 1HH2 ARG 18 1HH2 ARG 18 -6.015 -3.720 -10.380 358 2HH2 ARG 18 2HH2 ARG 18 -4.894 -2.389 -10.087 359 H LYS 19 H LYS 19 -6.140 -5.363 -3.852 360 HA LYS 19 HA LYS 19 -7.277 -7.931 -4.558 361 1HB LYS 19 1HB LYS 19 -4.535 -6.990 -3.677 362 2HB LYS 19 2HB LYS 19 -4.932 -8.707 -3.614 363 1HG LYS 19 1HG LYS 19 -3.914 -8.429 -5.690 364 2HG LYS 19 2HG LYS 19 -5.637 -8.625 -6.026 365 1HD LYS 19 1HD LYS 19 -5.796 -6.087 -6.200 366 2HD LYS 19 2HD LYS 19 -4.037 -6.023 -5.981 367 1HE LYS 19 1HE LYS 19 -3.750 -7.440 -8.018 368 2HE LYS 19 2HE LYS 19 -5.511 -7.460 -8.237 369 1HZ LYS 19 1HZ LYS 19 -3.804 -5.071 -8.253 370 2HZ LYS 19 2HZ LYS 19 -4.488 -5.781 -9.573 371 3HZ LYS 19 3HZ LYS 19 -5.440 -5.071 -8.427 372 H LEU 20 H LEU 20 -5.930 -6.736 -1.458 373 HA LEU 20 HA LEU 20 -6.566 -9.028 0.091 374 1HB LEU 20 1HB LEU 20 -6.244 -6.107 0.853 375 2HB LEU 20 2HB LEU 20 -6.336 -7.415 2.034 376 HG LEU 20 HG LEU 20 -4.236 -7.431 -0.181 377 1HD1 LEU 20 1HD1 LEU 20 -2.662 -6.463 1.449 378 2HD1 LEU 20 2HD1 LEU 20 -3.969 -5.334 1.057 379 3HD1 LEU 20 3HD1 LEU 20 -3.998 -6.214 2.594 380 1HD2 LEU 20 1HD2 LEU 20 -3.018 -8.887 1.368 381 2HD2 LEU 20 2HD2 LEU 20 -4.327 -8.762 2.554 382 3HD2 LEU 20 3HD2 LEU 20 -4.601 -9.583 1.004 383 H LYS 21 H LYS 21 -8.615 -6.219 -0.709 384 HA LYS 21 HA LYS 21 -10.916 -7.103 0.795 385 1HB LYS 21 1HB LYS 21 -10.593 -4.824 -0.126 386 2HB LYS 21 2HB LYS 21 -10.728 -5.471 -1.758 387 1HG LYS 21 1HG LYS 21 -13.067 -6.244 -1.221 388 2HG LYS 21 2HG LYS 21 -12.874 -5.559 0.400 389 1HD LYS 21 1HD LYS 21 -14.101 -3.975 -0.889 390 2HD LYS 21 2HD LYS 21 -12.480 -3.298 -0.667 391 1HE LYS 21 1HE LYS 21 -11.868 -4.007 -2.974 392 2HE LYS 21 2HE LYS 21 -13.442 -4.800 -3.158 393 1HZ LYS 21 1HZ LYS 21 -13.396 -2.646 -4.164 394 2HZ LYS 21 2HZ LYS 21 -14.469 -2.659 -2.913 395 3HZ LYS 21 3HZ LYS 21 -13.003 -1.927 -2.734 396 H ASN 22 H ASN 22 -10.382 -7.317 -2.746 397 HA ASN 22 HA ASN 22 -12.609 -8.863 -3.311 398 1HB ASN 22 1HB ASN 22 -11.002 -7.527 -4.830 399 2HB ASN 22 2HB ASN 22 -10.055 -9.012 -4.950 400 1HD2 ASN 22 1HD2 ASN 22 -12.452 -10.864 -5.077 401 2HD2 ASN 22 2HD2 ASN 22 -13.175 -10.470 -6.631 402 H CYS 23 H CYS 23 -9.431 -10.019 -2.275 403 HA CYS 23 HA CYS 23 -9.393 -12.732 -2.591 404 1HB CYS 23 1HB CYS 23 -7.771 -11.508 -1.275 405 2HB CYS 23 2HB CYS 23 -9.008 -11.071 -0.090 406 H LYS 24 H LYS 24 -11.559 -11.040 -0.294 407 HA LYS 24 HA LYS 24 -13.406 -13.345 -0.308 408 1HB LYS 24 1HB LYS 24 -12.020 -12.467 2.261 409 2HB LYS 24 2HB LYS 24 -13.529 -13.389 2.206 410 1HG LYS 24 1HG LYS 24 -12.345 -15.138 0.810 411 2HG LYS 24 2HG LYS 24 -10.831 -14.285 1.158 412 1HD LYS 24 1HD LYS 24 -11.158 -14.630 3.579 413 2HD LYS 24 2HD LYS 24 -12.737 -15.366 3.286 414 1HE LYS 24 1HE LYS 24 -11.066 -17.100 3.693 415 2HE LYS 24 2HE LYS 24 -11.651 -17.213 2.022 416 1HZ LYS 24 1HZ LYS 24 -9.267 -17.409 2.184 417 2HZ LYS 24 2HZ LYS 24 -9.673 -16.059 1.328 418 3HZ LYS 24 3HZ LYS 24 -9.152 -15.921 2.887 419 H VAL 25 H VAL 25 -12.782 -9.991 0.701 420 HA VAL 25 HA VAL 25 -15.539 -9.630 1.654 421 HB VAL 25 HB VAL 25 -13.222 -7.688 1.336 422 1HG1 VAL 25 1HG1 VAL 25 -14.537 -6.253 2.890 423 2HG1 VAL 25 2HG1 VAL 25 -15.377 -6.484 1.353 424 3HG1 VAL 25 3HG1 VAL 25 -15.890 -7.397 2.790 425 1HG2 VAL 25 1HG2 VAL 25 -13.056 -7.899 3.815 426 2HG2 VAL 25 2HG2 VAL 25 -14.275 -9.188 3.772 427 3HG2 VAL 25 3HG2 VAL 25 -12.694 -9.419 2.993 428 1H GLU 1 1H GLU 1 8.515 9.660 7.914 429 2H GLU 1 2H GLU 1 8.016 9.180 6.426 430 3H GLU 1 3H GLU 1 6.913 9.708 7.535 431 HA GLU 1 HA GLU 1 7.902 11.877 7.551 432 1HB GLU 1 1HB GLU 1 10.156 11.103 6.878 433 2HB GLU 1 2HB GLU 1 9.566 10.812 5.234 434 1HG GLU 1 1HG GLU 1 8.988 13.251 5.036 435 2HG GLU 1 2HG GLU 1 9.577 13.509 6.685 436 H ASN 2 H ASN 2 7.282 10.014 4.524 437 HA ASN 2 HA ASN 2 6.172 12.121 3.091 438 1HB ASN 2 1HB ASN 2 6.824 9.947 2.113 439 2HB ASN 2 2HB ASN 2 5.434 9.176 2.899 440 1HD2 ASN 2 1HD2 ASN 2 3.841 8.762 1.412 441 2HD2 ASN 2 2HD2 ASN 2 3.332 9.966 0.237 442 H ARG 3 H ARG 3 4.165 12.986 2.740 443 HA ARG 3 HA ARG 3 2.141 12.747 4.841 444 1HB ARG 3 1HB ARG 3 2.104 14.221 2.174 445 2HB ARG 3 2HB ARG 3 0.943 14.433 3.483 446 1HG ARG 3 1HG ARG 3 3.904 15.186 3.575 447 2HG ARG 3 2HG ARG 3 2.519 16.265 3.404 448 1HD ARG 3 1HD ARG 3 3.062 16.446 5.671 449 2HD ARG 3 2HD ARG 3 1.682 15.340 5.652 450 HE ARG 3 HE ARG 3 4.261 13.982 5.487 451 1HH1 ARG 3 1HH1 ARG 3 1.940 15.258 7.850 452 2HH1 ARG 3 2HH1 ARG 3 2.907 14.701 9.208 453 1HH2 ARG 3 1HH2 ARG 3 5.229 13.052 7.142 454 2HH2 ARG 3 2HH2 ARG 3 4.605 13.087 8.782 455 H GLU 4 H GLU 4 -0.073 12.250 4.445 456 HA GLU 4 HA GLU 4 -1.826 11.058 3.765 457 1HB GLU 4 1HB GLU 4 -0.529 11.115 1.018 458 2HB GLU 4 2HB GLU 4 -2.200 10.693 1.380 459 1HG GLU 4 1HG GLU 4 -2.600 12.942 2.346 460 2HG GLU 4 2HG GLU 4 -0.921 13.397 2.034 461 H VAL 5 H VAL 5 1.003 9.447 2.256 462 HA VAL 5 HA VAL 5 0.133 6.884 3.534 463 HB VAL 5 HB VAL 5 1.250 7.087 0.729 464 1HG1 VAL 5 1HG1 VAL 5 0.697 4.651 0.702 465 2HG1 VAL 5 2HG1 VAL 5 1.906 5.013 1.943 466 3HG1 VAL 5 3HG1 VAL 5 0.213 4.742 2.403 467 1HG2 VAL 5 1HG2 VAL 5 -1.067 7.859 0.705 468 2HG2 VAL 5 2HG2 VAL 5 -0.987 6.215 0.061 469 3HG2 VAL 5 3HG2 VAL 5 -1.571 6.486 1.715 470 HA PRO 6 HA PRO 6 4.343 8.120 4.700 471 1HB PRO 6 1HB PRO 6 4.388 7.375 7.297 472 2HB PRO 6 2HB PRO 6 3.393 8.739 6.723 473 1HG PRO 6 1HG PRO 6 2.494 5.874 7.169 474 2HG PRO 6 2HG PRO 6 1.753 7.367 7.819 475 1HD PRO 6 1HD PRO 6 0.868 6.158 5.530 476 2HD PRO 6 2HD PRO 6 0.868 7.942 5.686 477 HA PRO 7 HA PRO 7 6.520 4.542 3.581 478 1HB PRO 7 1HB PRO 7 8.990 4.799 4.808 479 2HB PRO 7 2HB PRO 7 8.433 5.769 3.418 480 1HG PRO 7 1HG PRO 7 8.306 6.510 6.351 481 2HG PRO 7 2HG PRO 7 8.932 7.497 4.998 482 1HD PRO 7 1HD PRO 7 6.410 7.881 5.886 483 2HD PRO 7 2HD PRO 7 6.738 7.836 4.126 484 H GLY 8 H GLY 8 6.346 5.050 7.108 485 1HA GLY 8 1HA GLY 8 6.916 2.590 8.189 486 2HA GLY 8 2HA GLY 8 5.524 3.566 8.663 487 H PHE 9 H PHE 9 4.042 3.340 6.156 488 HA PHE 9 HA PHE 9 2.686 0.823 6.565 489 1HB PHE 9 1HB PHE 9 1.457 2.675 5.675 490 2HB PHE 9 2HB PHE 9 2.624 2.926 4.381 491 HD1 PHE 9 1HD PHE 9 0.672 -0.047 5.644 492 HD2 PHE 9 2HD PHE 9 1.819 2.374 2.263 493 HE1 PHE 9 1HE PHE 9 -0.513 -1.602 4.123 494 HE2 PHE 9 2HE PHE 9 0.617 0.820 0.753 495 HZ PHE 9 HZ PHE 9 -0.479 -1.205 1.663 496 H THR 10 H THR 10 4.773 1.958 3.846 497 HA THR 10 HA THR 10 5.000 -0.488 2.479 498 HB THR 10 HB THR 10 7.125 1.685 2.746 499 HG1 THR 10 1HG THR 10 4.933 1.517 0.958 500 1HG2 THR 10 1HG2 THR 10 7.892 -0.320 1.503 501 2HG2 THR 10 2HG2 THR 10 6.440 -0.249 0.480 502 3HG2 THR 10 3HG2 THR 10 7.645 1.052 0.409 503 H ALA 11 H ALA 11 7.051 0.845 5.100 504 HA ALA 11 HA ALA 11 8.905 -1.284 5.280 505 1HB ALA 11 1HB ALA 11 7.895 0.507 7.518 506 2HB ALA 11 2HB ALA 11 9.427 -0.390 7.467 507 3HB ALA 11 3HB ALA 11 9.148 0.947 6.338 508 H LEU 12 H LEU 12 5.782 -0.846 7.073 509 HA LEU 12 HA LEU 12 5.812 -3.323 8.432 510 1HB LEU 12 1HB LEU 12 4.238 -1.601 8.946 511 2HB LEU 12 2HB LEU 12 3.445 -1.717 7.378 512 HG LEU 12 HG LEU 12 3.632 -4.192 9.105 513 1HD1 LEU 12 1HD1 LEU 12 1.545 -3.579 10.246 514 2HD1 LEU 12 2HD1 LEU 12 2.844 -2.456 10.650 515 3HD1 LEU 12 3HD1 LEU 12 1.586 -1.983 9.476 516 1HD2 LEU 12 1HD2 LEU 12 2.562 -4.514 6.895 517 2HD2 LEU 12 2HD2 LEU 12 1.333 -4.591 8.144 518 3HD2 LEU 12 3HD2 LEU 12 1.511 -3.116 7.178 519 H ILE 13 H ILE 13 4.405 -2.616 5.168 520 HA ILE 13 HA ILE 13 3.618 -5.305 4.648 521 HB ILE 13 HB ILE 13 4.403 -3.071 2.756 522 1HG1 ILE 13 1HG1 ILE 13 2.394 -2.634 4.169 523 2HG1 ILE 13 2HG1 ILE 13 2.074 -2.685 2.439 524 1HG2 ILE 13 1HG2 ILE 13 4.681 -5.060 1.460 525 2HG2 ILE 13 2HG2 ILE 13 3.219 -5.802 2.134 526 3HG2 ILE 13 3HG2 ILE 13 3.093 -4.413 1.034 527 1HD1 ILE 13 1HD1 ILE 13 1.446 -4.928 4.416 528 2HD1 ILE 13 2HD1 ILE 13 0.298 -3.800 3.694 529 3HD1 ILE 13 3HD1 ILE 13 1.123 -4.971 2.666 530 H LYS 14 H LYS 14 6.731 -3.716 3.814 531 HA LYS 14 HA LYS 14 7.959 -6.013 2.647 532 1HB LYS 14 1HB LYS 14 9.129 -3.667 4.186 533 2HB LYS 14 2HB LYS 14 10.110 -4.859 3.329 534 1HG LYS 14 1HG LYS 14 7.978 -3.153 1.970 535 2HG LYS 14 2HG LYS 14 9.681 -2.702 2.099 536 1HD LYS 14 1HD LYS 14 10.307 -4.825 0.912 537 2HD LYS 14 2HD LYS 14 8.588 -5.171 0.658 538 1HE LYS 14 1HE LYS 14 10.052 -2.677 -0.332 539 2HE LYS 14 2HE LYS 14 9.649 -4.092 -1.316 540 1HZ LYS 14 1HZ LYS 14 8.046 -2.364 -1.588 541 2HZ LYS 14 2HZ LYS 14 7.342 -3.674 -0.881 542 3HZ LYS 14 3HZ LYS 14 7.705 -2.345 0.022 543 H THR 15 H THR 15 7.914 -4.935 6.074 544 HA THR 15 HA THR 15 9.477 -7.089 7.094 545 HB THR 15 HB THR 15 7.261 -5.592 8.550 546 HG1 THR 15 1HG THR 15 8.797 -4.162 7.685 547 1HG2 THR 15 1HG2 THR 15 8.181 -7.608 9.755 548 2HG2 THR 15 2HG2 THR 15 9.812 -6.944 9.541 549 3HG2 THR 15 3HG2 THR 15 8.624 -6.069 10.525 550 H LEU 16 H LEU 16 5.933 -6.804 6.660 551 HA LEU 16 HA LEU 16 5.175 -9.333 7.670 552 1HB LEU 16 1HB LEU 16 3.727 -7.365 7.044 553 2HB LEU 16 2HB LEU 16 3.860 -7.830 5.358 554 HG LEU 16 HG LEU 16 2.827 -9.745 7.494 555 1HD1 LEU 16 1HD1 LEU 16 1.233 -7.747 5.835 556 2HD1 LEU 16 2HD1 LEU 16 0.550 -9.010 6.883 557 3HD1 LEU 16 3HD1 LEU 16 1.483 -7.684 7.594 558 1HD2 LEU 16 1HD2 LEU 16 1.578 -10.708 5.536 559 2HD2 LEU 16 2HD2 LEU 16 2.426 -9.579 4.464 560 3HD2 LEU 16 3HD2 LEU 16 3.320 -10.842 5.332 561 H ARG 17 H ARG 17 5.875 -8.394 4.268 562 HA ARG 17 HA ARG 17 5.784 -10.925 3.071 563 1HB ARG 17 1HB ARG 17 6.013 -8.677 1.965 564 2HB ARG 17 2HB ARG 17 7.703 -8.639 2.454 565 1HG ARG 17 1HG ARG 17 7.565 -9.277 0.168 566 2HG ARG 17 2HG ARG 17 8.137 -10.687 1.063 567 1HD ARG 17 1HD ARG 17 6.090 -11.838 0.767 568 2HD ARG 17 2HD ARG 17 5.170 -10.357 0.538 569 HE ARG 17 HE ARG 17 5.749 -10.205 -1.672 570 1HH1 ARG 17 1HH1 ARG 17 7.382 -13.076 -0.335 571 2HH1 ARG 17 2HH1 ARG 17 8.103 -13.474 -1.871 572 1HH2 ARG 17 1HH2 ARG 17 6.581 -10.855 -3.621 573 2HH2 ARG 17 2HH2 ARG 17 7.578 -12.285 -3.740 574 H LYS 18 H LYS 18 8.649 -9.327 4.557 575 HA LYS 18 HA LYS 18 10.474 -11.457 4.171 576 1HB LYS 18 1HB LYS 18 10.323 -9.207 6.199 577 2HB LYS 18 2HB LYS 18 11.685 -10.316 6.137 578 1HG LYS 18 1HG LYS 18 10.798 -8.701 3.710 579 2HG LYS 18 2HG LYS 18 11.953 -8.105 4.908 580 1HD LYS 18 1HD LYS 18 13.430 -10.069 4.469 581 2HD LYS 18 2HD LYS 18 12.304 -10.632 3.220 582 1HE LYS 18 1HE LYS 18 12.613 -8.502 1.975 583 2HE LYS 18 2HE LYS 18 13.762 -7.950 3.210 584 1HZ LYS 18 1HZ LYS 18 14.870 -8.904 1.329 585 2HZ LYS 18 2HZ LYS 18 15.144 -9.826 2.666 586 3HZ LYS 18 3HZ LYS 18 14.076 -10.334 1.519 587 H CYS 19 H CYS 19 8.375 -10.848 7.051 588 HA CYS 19 HA CYS 19 9.346 -13.188 8.468 589 1HB CYS 19 1HB CYS 19 8.315 -11.412 9.720 590 2HB CYS 19 2HB CYS 19 6.821 -11.545 8.787 591 H LYS 20 H LYS 20 6.348 -12.656 6.558 592 HA LYS 20 HA LYS 20 5.500 -15.421 6.992 593 1HB LYS 20 1HB LYS 20 4.276 -13.295 5.208 594 2HB LYS 20 2HB LYS 20 3.505 -14.768 5.805 595 1HG LYS 20 1HG LYS 20 4.326 -12.339 7.454 596 2HG LYS 20 2HG LYS 20 2.693 -12.864 7.049 597 1HD LYS 20 1HD LYS 20 3.067 -14.963 8.382 598 2HD LYS 20 2HD LYS 20 4.680 -14.364 8.823 599 1HE LYS 20 1HE LYS 20 3.632 -12.316 9.811 600 2HE LYS 20 2HE LYS 20 2.031 -13.007 9.484 601 1HZ LYS 20 1HZ LYS 20 2.650 -14.862 10.887 602 2HZ LYS 20 2HZ LYS 20 4.116 -14.173 11.195 603 3HZ LYS 20 3HZ LYS 20 2.738 -13.437 11.713 604 H ILE 21 H ILE 21 7.461 -13.910 4.599 605 HA ILE 21 HA ILE 21 8.523 -14.688 2.806 606 HB ILE 21 HB ILE 21 7.168 -17.394 3.100 607 1HG1 ILE 21 1HG1 ILE 21 8.353 -16.962 5.183 608 2HG1 ILE 21 2HG1 ILE 21 9.194 -18.165 4.217 609 1HG2 ILE 21 1HG2 ILE 21 9.139 -18.167 1.810 610 2HG2 ILE 21 2HG2 ILE 21 8.091 -17.073 0.902 611 3HG2 ILE 21 3HG2 ILE 21 9.620 -16.474 1.565 612 1HD1 ILE 21 1HD1 ILE 21 9.995 -15.231 4.469 613 2HD1 ILE 21 2HD1 ILE 21 10.761 -16.606 5.271 614 3HD1 ILE 21 3HD1 ILE 21 10.856 -16.457 3.510 615 H ILE 22 H ILE 22 5.214 -16.053 2.733 616 HA ILE 22 HA ILE 22 4.763 -15.362 -0.031 617 HB ILE 22 HB ILE 22 3.569 -17.137 1.219 618 1HG1 ILE 22 1HG1 ILE 22 1.696 -15.064 -0.007 619 2HG1 ILE 22 2HG1 ILE 22 2.751 -16.148 -0.927 620 1HG2 ILE 22 1HG2 ILE 22 1.904 -14.906 2.470 621 2HG2 ILE 22 2HG2 ILE 22 1.753 -16.651 2.738 622 3HG2 ILE 22 3HG2 ILE 22 3.170 -15.793 3.336 623 1HD1 ILE 22 1HD1 ILE 22 0.460 -16.993 0.892 624 2HD1 ILE 22 2HD1 ILE 22 0.533 -17.087 -0.874 625 3HD1 ILE 22 3HD1 ILE 22 1.599 -18.113 0.105 626 1H ASN 1 1H ASN 1 -6.880 11.034 7.475 627 2H ASN 1 2H ASN 1 -8.062 12.092 7.929 628 3H ASN 1 3H ASN 1 -6.561 12.221 8.578 629 HA ASN 1 HA ASN 1 -8.430 10.019 8.962 630 1HB ASN 1 1HB ASN 1 -5.892 9.524 8.884 631 2HB ASN 1 2HB ASN 1 -5.780 10.395 10.412 632 1HD2 ASN 1 1HD2 ASN 1 -5.012 7.684 10.127 633 2HD2 ASN 1 2HD2 ASN 1 -6.157 6.713 11.052 634 H LEU 2 H LEU 2 -9.166 9.826 11.247 635 HA LEU 2 HA LEU 2 -10.026 12.434 12.325 636 1HB LEU 2 1HB LEU 2 -10.326 9.618 13.444 637 2HB LEU 2 2HB LEU 2 -11.184 11.056 14.009 638 HG LEU 2 HG LEU 2 -11.488 9.754 11.260 639 1HD1 LEU 2 1HD1 LEU 2 -12.433 8.429 13.116 640 2HD1 LEU 2 2HD1 LEU 2 -13.353 9.846 13.667 641 3HD1 LEU 2 3HD1 LEU 2 -13.709 9.109 12.091 642 1HD2 LEU 2 1HD2 LEU 2 -12.938 12.129 12.519 643 2HD2 LEU 2 2HD2 LEU 2 -11.905 12.167 11.070 644 3HD2 LEU 2 3HD2 LEU 2 -13.443 11.299 11.033 645 H VAL 3 H VAL 3 -9.581 13.043 14.636 646 HA VAL 3 HA VAL 3 -6.804 13.022 15.236 647 HB VAL 3 HB VAL 3 -9.175 13.537 17.082 648 1HG1 VAL 3 1HG1 VAL 3 -7.535 14.861 18.411 649 2HG1 VAL 3 2HG1 VAL 3 -7.137 13.141 18.412 650 3HG1 VAL 3 3HG1 VAL 3 -6.224 14.260 17.376 651 1HG2 VAL 3 1HG2 VAL 3 -9.154 15.059 15.126 652 2HG2 VAL 3 2HG2 VAL 3 -8.688 15.923 16.593 653 3HG2 VAL 3 3HG2 VAL 3 -7.444 15.432 15.427 654 H SER 4 H SER 4 -9.442 11.107 16.722 655 HA SER 4 HA SER 4 -7.877 9.404 18.401 656 1HB SER 4 1HB SER 4 -9.961 7.970 18.199 657 2HB SER 4 2HB SER 4 -10.257 9.650 18.694 658 HG SER 4 HG SER 4 -11.675 8.997 16.975 659 H GLY 5 H GLY 5 -9.476 8.669 15.345 660 1HA GLY 5 1HA GLY 5 -8.443 6.293 14.531 661 2HA GLY 5 2HA GLY 5 -8.729 7.609 13.385 662 H LEU 6 H LEU 6 -6.754 9.389 13.870 663 HA LEU 6 HA LEU 6 -4.419 8.431 12.656 664 1HB LEU 6 1HB LEU 6 -5.089 10.769 12.675 665 2HB LEU 6 2HB LEU 6 -4.945 10.843 14.430 666 HG LEU 6 HG LEU 6 -2.485 10.520 14.252 667 1HD1 LEU 6 1HD1 LEU 6 -3.040 10.653 11.248 668 2HD1 LEU 6 2HD1 LEU 6 -1.447 10.815 12.016 669 3HD1 LEU 6 3HD1 LEU 6 -2.325 9.283 12.132 670 1HD2 LEU 6 1HD2 LEU 6 -3.484 12.770 14.346 671 2HD2 LEU 6 2HD2 LEU 6 -2.032 12.761 13.330 672 3HD2 LEU 6 3HD2 LEU 6 -3.639 12.789 12.576 673 H ILE 7 H ILE 7 -4.744 9.334 16.170 674 HA ILE 7 HA ILE 7 -2.128 8.302 16.725 675 HB ILE 7 HB ILE 7 -2.585 8.581 19.055 676 1HG1 ILE 7 1HG1 ILE 7 -5.456 9.266 18.314 677 2HG1 ILE 7 2HG1 ILE 7 -4.935 7.808 19.174 678 1HG2 ILE 7 1HG2 ILE 7 -1.995 10.494 17.540 679 2HG2 ILE 7 2HG2 ILE 7 -3.715 10.924 17.471 680 3HG2 ILE 7 3HG2 ILE 7 -2.835 10.984 19.010 681 1HD1 ILE 7 1HD1 ILE 7 -4.744 10.660 20.190 682 2HD1 ILE 7 2HD1 ILE 7 -5.771 9.349 20.787 683 3HD1 ILE 7 3HD1 ILE 7 -4.010 9.249 20.995 684 H GLU 8 H GLU 8 -5.340 6.762 17.080 685 HA GLU 8 HA GLU 8 -4.347 4.342 18.260 686 1HB GLU 8 1HB GLU 8 -6.818 4.850 16.546 687 2HB GLU 8 2HB GLU 8 -6.500 3.371 17.463 688 1HG GLU 8 1HG GLU 8 -6.910 6.162 18.635 689 2HG GLU 8 2HG GLU 8 -8.025 4.799 18.720 690 H ALA 9 H ALA 9 -4.975 5.147 14.800 691 HA ALA 9 HA ALA 9 -4.043 2.676 13.749 692 1HB ALA 9 1HB ALA 9 -5.372 4.232 12.439 693 2HB ALA 9 2HB ALA 9 -4.079 5.448 12.520 694 3HB ALA 9 3HB ALA 9 -3.823 3.929 11.631 695 H ARG 10 H ARG 10 -2.237 5.713 14.489 696 HA ARG 10 HA ARG 10 0.295 4.825 13.542 697 1HB ARG 10 1HB ARG 10 -0.179 7.143 14.022 698 2HB ARG 10 2HB ARG 10 -0.473 6.781 15.722 699 1HG ARG 10 1HG ARG 10 1.657 7.840 15.444 700 2HG ARG 10 2HG ARG 10 1.906 6.215 16.069 701 1HD ARG 10 1HD ARG 10 2.115 6.807 13.083 702 2HD ARG 10 2HD ARG 10 3.440 7.158 14.208 703 HE ARG 10 HE ARG 10 2.419 4.431 14.437 704 1HH1 ARG 10 1HH1 ARG 10 4.762 6.473 12.738 705 2HH1 ARG 10 2HH1 ARG 10 5.857 5.136 12.444 706 1HH2 ARG 10 1HH2 ARG 10 3.778 2.756 13.947 707 2HH2 ARG 10 2HH2 ARG 10 5.284 3.019 13.098 708 H LYS 11 H LYS 11 -1.076 4.640 16.893 709 HA LYS 11 HA LYS 11 1.100 3.182 18.032 710 1HB LYS 11 1HB LYS 11 -1.856 3.288 18.709 711 2HB LYS 11 2HB LYS 11 -0.663 2.414 19.686 712 1HG LYS 11 1HG LYS 11 0.659 4.487 19.978 713 2HG LYS 11 2HG LYS 11 -0.554 5.405 19.084 714 1HD LYS 11 1HD LYS 11 -1.049 3.875 21.689 715 2HD LYS 11 2HD LYS 11 -0.778 5.620 21.551 716 1HE LYS 11 1HE LYS 11 -2.813 5.773 20.062 717 2HE LYS 11 2HE LYS 11 -3.134 4.059 20.396 718 1HZ LYS 11 1HZ LYS 11 -2.994 6.189 22.404 719 2HZ LYS 11 2HZ LYS 11 -4.364 5.475 21.824 720 3HZ LYS 11 3HZ LYS 11 -3.285 4.594 22.709 721 H TYR 12 H TYR 12 -1.923 1.952 16.505 722 HA TYR 12 HA TYR 12 -1.309 -0.797 16.771 723 1HB TYR 12 1HB TYR 12 -3.524 0.110 16.204 724 2HB TYR 12 2HB TYR 12 -2.932 0.585 14.613 725 HD1 TYR 12 1HD TYR 12 -3.748 -2.295 16.823 726 HD2 TYR 12 2HD TYR 12 -2.523 -1.097 12.869 727 HE1 TYR 12 1HE TYR 12 -4.106 -4.615 15.995 728 HE2 TYR 12 2HE TYR 12 -2.849 -3.406 12.065 729 HH TYR 12 HH TYR 12 -3.570 -5.506 12.589 730 H LEU 13 H LEU 13 -0.584 1.422 14.044 731 HA LEU 13 HA LEU 13 0.763 -0.352 12.323 732 1HB LEU 13 1HB LEU 13 0.154 1.899 11.642 733 2HB LEU 13 2HB LEU 13 1.159 2.607 12.897 734 HG LEU 13 HG LEU 13 3.203 1.804 11.764 735 1HD1 LEU 13 1HD1 LEU 13 2.351 -0.166 10.624 736 2HD1 LEU 13 2HD1 LEU 13 1.287 0.835 9.604 737 3HD1 LEU 13 3HD1 LEU 13 3.052 0.948 9.448 738 1HD2 LEU 13 1HD2 LEU 13 2.247 4.054 11.289 739 2HD2 LEU 13 2HD2 LEU 13 3.109 3.373 9.897 740 3HD2 LEU 13 3HD2 LEU 13 1.334 3.359 9.933 741 H GLU 14 H GLU 14 2.102 1.661 14.993 742 HA GLU 14 HA GLU 14 4.785 0.729 14.799 743 1HB GLU 14 1HB GLU 14 4.019 2.729 16.091 744 2HB GLU 14 2HB GLU 14 3.286 1.664 17.289 745 1HG GLU 14 1HG GLU 14 5.503 0.697 17.821 746 2HG GLU 14 2HG GLU 14 6.247 1.648 16.525 747 H GLN 15 H GLN 15 2.247 -0.357 17.101 748 HA GLN 15 HA GLN 15 3.519 -2.522 18.287 749 1HB GLN 15 1HB GLN 15 1.424 -1.660 19.029 750 2HB GLN 15 2HB GLN 15 0.610 -2.065 17.524 751 1HG GLN 15 1HG GLN 15 1.830 -4.182 19.354 752 2HG GLN 15 2HG GLN 15 0.190 -3.567 19.573 753 1HE2 GLN 15 1HE2 GLN 15 -1.048 -3.486 17.213 754 2HE2 GLN 15 2HE2 GLN 15 -0.986 -5.069 16.449 755 H LEU 16 H LEU 16 1.420 -2.742 15.366 756 HA LEU 16 HA LEU 16 1.931 -5.487 14.969 757 1HB LEU 16 1HB LEU 16 -0.034 -4.322 14.092 758 2HB LEU 16 2HB LEU 16 0.988 -3.382 12.994 759 HG LEU 16 HG LEU 16 1.630 -5.423 11.785 760 1HD1 LEU 16 1HD1 LEU 16 0.425 -7.577 12.256 761 2HD1 LEU 16 2HD1 LEU 16 1.566 -7.146 13.529 762 3HD1 LEU 16 3HD1 LEU 16 -0.173 -6.876 13.774 763 1HD2 LEU 16 1HD2 LEU 16 -0.483 -5.872 10.719 764 2HD2 LEU 16 2HD2 LEU 16 -1.378 -5.370 12.165 765 3HD2 LEU 16 3HD2 LEU 16 -0.488 -4.166 11.213 766 H HIS 17 H HIS 17 3.522 -2.602 13.445 767 HA HIS 17 HA HIS 17 5.229 -4.091 11.732 768 1HB HIS 17 1HB HIS 17 4.813 -1.637 11.646 769 2HB HIS 17 2HB HIS 17 5.831 -1.435 13.075 770 HD1 HIS 17 1HD HIS 17 7.998 -3.727 11.739 771 HD2 HIS 17 2HD HIS 17 6.497 -0.094 10.214 772 HE1 HIS 17 1HE HIS 17 9.715 -2.867 10.051 773 H ARG 18 H ARG 18 5.716 -3.066 15.153 774 HA ARG 18 HA ARG 18 8.337 -4.240 15.431 775 1HB ARG 18 1HB ARG 18 6.214 -3.241 17.318 776 2HB ARG 18 2HB ARG 18 7.456 -4.321 17.949 777 1HG ARG 18 1HG ARG 18 8.133 -2.021 18.270 778 2HG ARG 18 2HG ARG 18 9.253 -2.867 17.196 779 1HD ARG 18 1HD ARG 18 8.193 -1.789 15.231 780 2HD ARG 18 2HD ARG 18 7.036 -0.981 16.316 781 HE ARG 18 HE ARG 18 9.600 -0.324 17.238 782 1HH1 ARG 18 1HH1 ARG 18 7.654 0.218 14.363 783 2HH1 ARG 18 2HH1 ARG 18 8.383 1.768 13.999 784 1HH2 ARG 18 1HH2 ARG 18 10.513 1.688 16.795 785 2HH2 ARG 18 2HH2 ARG 18 10.001 2.616 15.407 786 H LYS 19 H LYS 19 5.068 -5.574 16.192 787 HA LYS 19 HA LYS 19 5.942 -8.102 17.064 788 1HB LYS 19 1HB LYS 19 3.659 -7.303 17.329 789 2HB LYS 19 2HB LYS 19 3.416 -7.280 15.583 790 1HG LYS 19 1HG LYS 19 2.321 -9.181 16.604 791 2HG LYS 19 2HG LYS 19 3.558 -9.725 15.466 792 1HD LYS 19 1HD LYS 19 5.117 -10.194 17.333 793 2HD LYS 19 2HD LYS 19 3.946 -9.561 18.503 794 1HE LYS 19 1HE LYS 19 3.495 -11.967 16.665 795 2HE LYS 19 2HE LYS 19 4.013 -12.065 18.354 796 1HZ LYS 19 1HZ LYS 19 1.477 -10.923 17.418 797 2HZ LYS 19 2HZ LYS 19 1.676 -12.373 18.173 798 3HZ LYS 19 3HZ LYS 19 1.982 -10.972 18.985 799 H LEU 20 H LEU 20 5.128 -7.067 13.716 800 HA LEU 20 HA LEU 20 5.788 -9.537 12.468 801 1HB LEU 20 1HB LEU 20 5.785 -6.700 11.418 802 2HB LEU 20 2HB LEU 20 6.008 -8.122 10.390 803 HG LEU 20 HG LEU 20 3.540 -7.775 12.142 804 1HD1 LEU 20 1HD1 LEU 20 3.675 -5.895 10.623 805 2HD1 LEU 20 2HD1 LEU 20 4.032 -6.965 9.254 806 3HD1 LEU 20 3HD1 LEU 20 2.434 -7.018 10.035 807 1HD2 LEU 20 1HD2 LEU 20 2.569 -9.378 10.498 808 2HD2 LEU 20 2HD2 LEU 20 4.171 -9.569 9.762 809 3HD2 LEU 20 3HD2 LEU 20 3.883 -10.086 11.437 810 H LYS 21 H LYS 21 7.841 -6.636 13.078 811 HA LYS 21 HA LYS 21 10.230 -7.676 11.957 812 1HB LYS 21 1HB LYS 21 9.866 -5.333 12.696 813 2HB LYS 21 2HB LYS 21 9.944 -5.864 14.385 814 1HG LYS 21 1HG LYS 21 12.257 -6.697 14.007 815 2HG LYS 21 2HG LYS 21 12.163 -6.183 12.313 816 1HD LYS 21 1HD LYS 21 11.764 -3.829 13.069 817 2HD LYS 21 2HD LYS 21 11.933 -4.348 14.754 818 1HE LYS 21 1HE LYS 21 14.089 -4.595 12.594 819 2HE LYS 21 2HE LYS 21 14.022 -3.337 13.838 820 1HZ LYS 21 1HZ LYS 21 14.305 -6.218 14.333 821 2HZ LYS 21 2HZ LYS 21 15.489 -5.083 14.473 822 3HZ LYS 21 3HZ LYS 21 14.198 -5.056 15.497 823 H ASN 22 H ASN 22 8.880 -8.102 15.256 824 HA ASN 22 HA ASN 22 10.969 -9.782 16.219 825 1HB ASN 22 1HB ASN 22 9.085 -8.608 17.512 826 2HB ASN 22 2HB ASN 22 8.064 -9.982 17.086 827 1HD2 ASN 22 1HD2 ASN 22 10.460 -11.967 17.369 828 2HD2 ASN 22 2HD2 ASN 22 10.634 -12.018 19.117 829 H CYS 23 H CYS 23 7.920 -10.614 14.445 830 HA CYS 23 HA CYS 23 8.474 -13.433 14.606 831 1HB CYS 23 1HB CYS 23 6.604 -13.881 13.461 832 2HB CYS 23 2HB CYS 23 6.227 -12.375 14.284 833 H LYS 24 H LYS 24 9.550 -10.978 12.298 834 HA LYS 24 HA LYS 24 10.881 -12.920 10.610 835 1HB LYS 24 1HB LYS 24 10.426 -10.649 9.816 836 2HB LYS 24 2HB LYS 24 11.491 -9.973 11.045 837 1HG LYS 24 1HG LYS 24 12.479 -10.111 8.757 838 2HG LYS 24 2HG LYS 24 13.458 -10.929 9.970 839 1HD LYS 24 1HD LYS 24 12.606 -13.134 9.249 840 2HD LYS 24 2HD LYS 24 11.455 -12.333 8.164 841 1HE LYS 24 1HE LYS 24 13.499 -11.367 6.946 842 2HE LYS 24 2HE LYS 24 14.487 -12.442 7.945 843 1HZ LYS 24 1HZ LYS 24 13.268 -14.290 7.066 844 2HZ LYS 24 2HZ LYS 24 12.275 -13.305 6.198 845 3HZ LYS 24 3HZ LYS 24 13.880 -13.410 5.814 846 H VAL 25 H VAL 25 11.480 -14.233 12.565 847 HA VAL 25 HA VAL 25 13.730 -13.501 14.189 848 HB VAL 25 HB VAL 25 13.913 -15.899 14.682 849 1HG1 VAL 25 1HG1 VAL 25 12.272 -14.478 15.874 850 2HG1 VAL 25 2HG1 VAL 25 11.025 -14.922 14.692 851 3HG1 VAL 25 3HG1 VAL 25 11.734 -16.161 15.741 852 1HG2 VAL 25 1HG2 VAL 25 13.363 -16.858 12.460 853 2HG2 VAL 25 2HG2 VAL 25 12.340 -17.524 13.738 854 3HG2 VAL 25 3HG2 VAL 25 11.683 -16.308 12.632 Start of MODEL 20 1 1H GLU 1 1H GLU 1 3.388 20.289 5.388 2 2H GLU 1 2H GLU 1 2.583 20.468 3.957 3 3H GLU 1 3H GLU 1 3.777 19.339 4.106 4 HA GLU 1 HA GLU 1 1.240 19.328 5.551 5 1HB GLU 1 1HB GLU 1 0.673 17.378 4.169 6 2HB GLU 1 2HB GLU 1 0.833 18.852 3.219 7 1HG GLU 1 1HG GLU 1 2.915 18.192 2.275 8 2HG GLU 1 2HG GLU 1 3.187 16.938 3.485 9 H ASN 2 H ASN 2 0.765 17.092 6.466 10 HA ASN 2 HA ASN 2 3.227 15.941 7.687 11 1HB ASN 2 1HB ASN 2 1.632 17.339 9.155 12 2HB ASN 2 2HB ASN 2 0.576 15.921 9.110 13 1HD2 ASN 2 1HD2 ASN 2 1.688 13.736 9.893 14 2HD2 ASN 2 2HD2 ASN 2 2.943 13.989 11.096 15 H ARG 3 H ARG 3 3.482 13.781 7.721 16 HA ARG 3 HA ARG 3 1.876 12.012 6.153 17 1HB ARG 3 1HB ARG 3 3.303 10.259 7.253 18 2HB ARG 3 2HB ARG 3 4.139 11.457 6.302 19 1HG ARG 3 1HG ARG 3 3.977 12.337 9.116 20 2HG ARG 3 2HG ARG 3 4.646 10.721 8.998 21 1HD ARG 3 1HD ARG 3 6.402 12.516 8.900 22 2HD ARG 3 2HD ARG 3 6.404 11.408 7.537 23 HE ARG 3 HE ARG 3 5.671 13.046 6.071 24 1HH1 ARG 3 1HH1 ARG 3 5.732 14.479 9.309 25 2HH1 ARG 3 2HH1 ARG 3 5.479 16.093 8.690 26 1HH2 ARG 3 1HH2 ARG 3 5.326 15.011 5.337 27 2HH2 ARG 3 2HH2 ARG 3 5.092 16.396 6.383 28 H GLU 4 H GLU 4 0.417 10.399 6.730 29 HA GLU 4 HA GLU 4 -0.208 9.892 9.528 30 1HB GLU 4 1HB GLU 4 -2.443 10.668 9.574 31 2HB GLU 4 2HB GLU 4 -1.427 12.037 9.118 32 1HG GLU 4 1HG GLU 4 -2.050 11.646 6.714 33 2HG GLU 4 2HG GLU 4 -3.116 10.327 7.213 34 H VAL 5 H VAL 5 -1.552 8.103 9.880 35 HA VAL 5 HA VAL 5 -1.474 6.132 7.749 36 HB VAL 5 HB VAL 5 -2.575 5.958 10.576 37 1HG1 VAL 5 1HG1 VAL 5 -3.451 4.168 9.151 38 2HG1 VAL 5 2HG1 VAL 5 -1.821 3.835 8.512 39 3HG1 VAL 5 3HG1 VAL 5 -2.195 3.511 10.214 40 1HG2 VAL 5 1HG2 VAL 5 0.160 5.313 9.406 41 2HG2 VAL 5 2HG2 VAL 5 -0.199 6.506 10.674 42 3HG2 VAL 5 3HG2 VAL 5 -0.396 4.782 11.002 43 HA PRO 6 HA PRO 6 -5.555 7.683 6.629 44 1HB PRO 6 1HB PRO 6 -5.841 6.669 4.124 45 2HB PRO 6 2HB PRO 6 -4.543 7.839 4.505 46 1HG PRO 6 1HG PRO 6 -4.309 4.810 4.497 47 2HG PRO 6 2HG PRO 6 -3.327 5.974 3.567 48 1HD PRO 6 1HD PRO 6 -2.511 5.028 5.988 49 2HD PRO 6 2HD PRO 6 -2.226 6.728 5.516 50 HA PRO 7 HA PRO 7 -8.618 4.505 7.558 51 1HB PRO 7 1HB PRO 7 -9.979 5.384 4.997 52 2HB PRO 7 2HB PRO 7 -10.710 5.070 6.597 53 1HG PRO 7 1HG PRO 7 -10.237 7.621 5.829 54 2HG PRO 7 2HG PRO 7 -9.776 7.108 7.479 55 1HD PRO 7 1HD PRO 7 -8.000 7.348 5.038 56 2HD PRO 7 2HD PRO 7 -7.732 7.952 6.693 57 H GLY 8 H GLY 8 -7.586 4.775 4.159 58 1HA GLY 8 1HA GLY 8 -8.024 2.278 3.080 59 2HA GLY 8 2HA GLY 8 -6.590 3.261 2.763 60 H PHE 9 H PHE 9 -5.485 3.105 5.502 61 HA PHE 9 HA PHE 9 -4.087 0.551 5.248 62 1HB PHE 9 1HB PHE 9 -2.859 2.417 6.087 63 2HB PHE 9 2HB PHE 9 -4.065 2.746 7.328 64 HD1 PHE 9 1HD PHE 9 -1.707 0.053 6.198 65 HD2 PHE 9 2HD PHE 9 -3.943 1.732 9.470 66 HE1 PHE 9 1HE PHE 9 -0.592 -1.517 7.775 67 HE2 PHE 9 2HE PHE 9 -2.769 0.247 11.047 68 HZ PHE 9 HZ PHE 9 -1.095 -1.397 10.210 69 H THR 10 H THR 10 -6.420 1.893 7.673 70 HA THR 10 HA THR 10 -6.739 -0.449 9.206 71 HB THR 10 HB THR 10 -8.897 1.599 8.521 72 HG1 THR 10 1HG THR 10 -6.921 1.704 10.545 73 1HG2 THR 10 1HG2 THR 10 -8.381 -0.096 11.014 74 2HG2 THR 10 2HG2 THR 10 -9.638 1.146 10.840 75 3HG2 THR 10 3HG2 THR 10 -9.710 -0.327 9.857 76 H ALA 11 H ALA 11 -8.516 0.643 6.302 77 HA ALA 11 HA ALA 11 -10.235 -1.594 6.016 78 1HB ALA 11 1HB ALA 11 -10.421 0.641 4.884 79 2HB ALA 11 2HB ALA 11 -9.109 0.148 3.793 80 3HB ALA 11 3HB ALA 11 -10.647 -0.749 3.819 81 H LEU 12 H LEU 12 -6.940 -1.036 4.608 82 HA LEU 12 HA LEU 12 -6.656 -3.521 3.308 83 1HB LEU 12 1HB LEU 12 -5.101 -1.690 3.043 84 2HB LEU 12 2HB LEU 12 -4.488 -1.884 4.680 85 HG LEU 12 HG LEU 12 -4.459 -4.289 2.846 86 1HD1 LEU 12 1HD1 LEU 12 -2.421 -2.041 2.736 87 2HD1 LEU 12 2HD1 LEU 12 -2.291 -3.619 1.937 88 3HD1 LEU 12 3HD1 LEU 12 -3.558 -2.494 1.438 89 1HD2 LEU 12 1HD2 LEU 12 -2.532 -3.238 4.981 90 2HD2 LEU 12 2HD2 LEU 12 -3.631 -4.616 5.173 91 3HD2 LEU 12 3HD2 LEU 12 -2.297 -4.717 4.033 92 H ILE 13 H ILE 13 -5.736 -2.718 6.720 93 HA ILE 13 HA ILE 13 -4.937 -5.336 7.439 94 HB ILE 13 HB ILE 13 -6.144 -3.093 9.087 95 1HG1 ILE 13 1HG1 ILE 13 -3.935 -2.616 8.020 96 2HG1 ILE 13 2HG1 ILE 13 -3.929 -2.576 9.778 97 1HG2 ILE 13 1HG2 ILE 13 -4.961 -5.717 10.057 98 2HG2 ILE 13 2HG2 ILE 13 -5.153 -4.271 11.074 99 3HG2 ILE 13 3HG2 ILE 13 -6.574 -5.056 10.386 100 1HD1 ILE 13 1HD1 ILE 13 -2.852 -4.811 9.841 101 2HD1 ILE 13 2HD1 ILE 13 -2.863 -4.866 8.062 102 3HD1 ILE 13 3HD1 ILE 13 -1.911 -3.645 8.907 103 H LYS 14 H LYS 14 -8.228 -3.907 7.819 104 HA LYS 14 HA LYS 14 -9.445 -6.297 8.799 105 1HB LYS 14 1HB LYS 14 -10.588 -4.006 7.156 106 2HB LYS 14 2HB LYS 14 -11.573 -5.273 7.877 107 1HG LYS 14 1HG LYS 14 -9.834 -3.259 9.367 108 2HG LYS 14 2HG LYS 14 -11.590 -3.262 9.256 109 1HD LYS 14 1HD LYS 14 -9.836 -5.282 10.735 110 2HD LYS 14 2HD LYS 14 -10.907 -4.069 11.426 111 1HE LYS 14 1HE LYS 14 -12.874 -5.214 10.358 112 2HE LYS 14 2HE LYS 14 -11.785 -6.499 9.797 113 1HZ LYS 14 1HZ LYS 14 -12.841 -7.078 11.842 114 2HZ LYS 14 2HZ LYS 14 -11.214 -6.934 12.067 115 3HZ LYS 14 3HZ LYS 14 -12.228 -5.749 12.597 116 H THR 15 H THR 15 -9.147 -5.184 5.394 117 HA THR 15 HA THR 15 -10.410 -7.583 4.396 118 HB THR 15 HB THR 15 -9.660 -6.877 2.169 119 HG1 THR 15 1HG THR 15 -8.593 -4.686 3.629 120 1HG2 THR 15 1HG2 THR 15 -11.809 -6.187 3.170 121 2HG2 THR 15 2HG2 THR 15 -11.035 -4.734 3.836 122 3HG2 THR 15 3HG2 THR 15 -11.151 -4.967 2.079 123 H LEU 16 H LEU 16 -7.050 -6.902 5.186 124 HA LEU 16 HA LEU 16 -5.923 -9.264 3.994 125 1HB LEU 16 1HB LEU 16 -4.707 -7.236 4.892 126 2HB LEU 16 2HB LEU 16 -4.977 -7.830 6.520 127 HG LEU 16 HG LEU 16 -3.554 -9.448 4.355 128 1HD1 LEU 16 1HD1 LEU 16 -2.360 -7.571 6.437 129 2HD1 LEU 16 2HD1 LEU 16 -1.445 -8.641 5.353 130 3HD1 LEU 16 3HD1 LEU 16 -2.387 -7.304 4.681 131 1HD2 LEU 16 1HD2 LEU 16 -2.476 -10.535 6.365 132 2HD2 LEU 16 2HD2 LEU 16 -3.608 -9.652 7.406 133 3HD2 LEU 16 3HD2 LEU 16 -4.199 -10.864 6.248 134 H ARG 17 H ARG 17 -7.018 -8.564 7.343 135 HA ARG 17 HA ARG 17 -6.941 -11.157 8.431 136 1HB ARG 17 1HB ARG 17 -7.266 -9.240 9.754 137 2HB ARG 17 2HB ARG 17 -8.737 -8.759 8.933 138 1HG ARG 17 1HG ARG 17 -8.596 -11.390 10.472 139 2HG ARG 17 2HG ARG 17 -8.819 -9.845 11.282 140 1HD ARG 17 1HD ARG 17 -10.997 -10.269 11.042 141 2HD ARG 17 2HD ARG 17 -10.773 -9.551 9.436 142 HE ARG 17 HE ARG 17 -10.248 -12.362 9.296 143 1HH1 ARG 17 1HH1 ARG 17 -12.949 -10.132 9.647 144 2HH1 ARG 17 2HH1 ARG 17 -14.136 -11.300 9.102 145 1HH2 ARG 17 1HH2 ARG 17 -11.765 -13.871 8.750 146 2HH2 ARG 17 2HH2 ARG 17 -13.445 -13.431 8.499 147 H LYS 18 H LYS 18 -9.636 -9.640 6.604 148 HA LYS 18 HA LYS 18 -11.350 -11.893 6.546 149 1HB LYS 18 1HB LYS 18 -11.934 -9.575 5.944 150 2HB LYS 18 2HB LYS 18 -11.008 -9.734 4.439 151 1HG LYS 18 1HG LYS 18 -12.463 -11.629 3.746 152 2HG LYS 18 2HG LYS 18 -13.423 -11.420 5.213 153 1HD LYS 18 1HD LYS 18 -13.027 -9.411 2.938 154 2HD LYS 18 2HD LYS 18 -14.482 -10.369 3.248 155 1HE LYS 18 1HE LYS 18 -13.374 -8.125 5.005 156 2HE LYS 18 2HE LYS 18 -14.836 -8.088 4.022 157 1HZ LYS 18 1HZ LYS 18 -15.357 -8.512 6.292 158 2HZ LYS 18 2HZ LYS 18 -15.732 -9.841 5.391 159 3HZ LYS 18 3HZ LYS 18 -14.379 -9.837 6.329 160 H CYS 19 H CYS 19 -9.086 -10.872 3.912 161 HA CYS 19 HA CYS 19 -9.521 -13.067 2.244 162 1HB CYS 19 1HB CYS 19 -8.377 -10.992 1.598 163 2HB CYS 19 2HB CYS 19 -6.984 -11.430 2.593 164 H LYS 20 H LYS 20 -7.123 -12.708 4.832 165 HA LYS 20 HA LYS 20 -5.951 -15.351 4.512 166 1HB LYS 20 1HB LYS 20 -4.820 -13.246 5.280 167 2HB LYS 20 2HB LYS 20 -5.752 -13.334 6.782 168 1HG LYS 20 1HG LYS 20 -4.624 -15.455 7.363 169 2HG LYS 20 2HG LYS 20 -3.806 -15.468 5.786 170 1HD LYS 20 1HD LYS 20 -2.614 -13.379 6.391 171 2HD LYS 20 2HD LYS 20 -3.561 -13.255 7.883 172 1HE LYS 20 1HE LYS 20 -1.346 -14.130 8.404 173 2HE LYS 20 2HE LYS 20 -2.574 -15.365 8.722 174 1HZ LYS 20 1HZ LYS 20 -0.673 -16.244 7.569 175 2HZ LYS 20 2HZ LYS 20 -2.019 -16.366 6.627 176 3HZ LYS 20 3HZ LYS 20 -0.898 -15.201 6.310 177 H ILE 21 H ILE 21 -9.012 -14.603 5.561 178 HA ILE 21 HA ILE 21 -10.582 -15.629 6.725 179 HB ILE 21 HB ILE 21 -8.677 -17.856 7.519 180 1HG1 ILE 21 1HG1 ILE 21 -8.572 -17.756 5.099 181 2HG1 ILE 21 2HG1 ILE 21 -9.540 -19.130 5.608 182 1HG2 ILE 21 1HG2 ILE 21 -10.718 -17.830 8.811 183 2HG2 ILE 21 2HG2 ILE 21 -11.706 -17.680 7.351 184 3HG2 ILE 21 3HG2 ILE 21 -10.777 -19.162 7.654 185 1HD1 ILE 21 1HD1 ILE 21 -10.635 -16.481 4.570 186 2HD1 ILE 21 2HD1 ILE 21 -10.536 -18.002 3.674 187 3HD1 ILE 21 3HD1 ILE 21 -11.623 -17.875 5.066 188 H ILE 22 H ILE 22 -7.521 -15.848 8.541 189 HA ILE 22 HA ILE 22 -8.774 -14.217 10.697 190 HB ILE 22 HB ILE 22 -7.749 -15.380 12.433 191 1HG1 ILE 22 1HG1 ILE 22 -5.614 -16.052 11.609 192 2HG1 ILE 22 2HG1 ILE 22 -6.470 -17.434 12.276 193 1HG2 ILE 22 1HG2 ILE 22 -9.080 -17.467 10.671 194 2HG2 ILE 22 2HG2 ILE 22 -8.899 -17.507 12.433 195 3HG2 ILE 22 3HG2 ILE 22 -9.898 -16.256 11.674 196 1HD1 ILE 22 1HD1 ILE 22 -5.330 -18.169 10.319 197 2HD1 ILE 22 2HD1 ILE 22 -7.048 -18.136 9.897 198 3HD1 ILE 22 3HD1 ILE 22 -5.956 -16.845 9.342 199 1H ASN 1 1H ASN 1 10.021 9.765 0.420 200 2H ASN 1 2H ASN 1 8.892 9.524 -0.756 201 3H ASN 1 3H ASN 1 8.425 9.645 0.817 202 HA ASN 1 HA ASN 1 9.217 11.896 0.916 203 1HB ASN 1 1HB ASN 1 9.863 13.071 -1.102 204 2HB ASN 1 2HB ASN 1 10.887 11.646 -0.920 205 1HD2 ASN 1 1HD2 ASN 1 10.826 10.043 -2.566 206 2HD2 ASN 1 2HD2 ASN 1 9.799 10.233 -3.986 207 H LEU 2 H LEU 2 7.974 13.772 0.140 208 HA LEU 2 HA LEU 2 5.217 13.253 0.433 209 1HB LEU 2 1HB LEU 2 6.869 15.722 -0.179 210 2HB LEU 2 2HB LEU 2 5.110 15.788 -0.098 211 HG LEU 2 HG LEU 2 5.082 14.979 2.185 212 1HD1 LEU 2 1HD1 LEU 2 7.086 13.615 2.391 213 2HD1 LEU 2 2HD1 LEU 2 8.127 15.015 2.017 214 3HD1 LEU 2 3HD1 LEU 2 7.201 14.954 3.529 215 1HD2 LEU 2 1HD2 LEU 2 5.206 17.401 1.670 216 2HD2 LEU 2 2HD2 LEU 2 5.965 17.011 3.223 217 3HD2 LEU 2 3HD2 LEU 2 6.976 17.331 1.796 218 H VAL 3 H VAL 3 6.915 13.034 -2.559 219 HA VAL 3 HA VAL 3 4.332 13.450 -4.016 220 HB VAL 3 HB VAL 3 5.659 14.188 -5.976 221 1HG1 VAL 3 1HG1 VAL 3 5.729 16.509 -5.215 222 2HG1 VAL 3 2HG1 VAL 3 4.303 15.692 -4.560 223 3HG1 VAL 3 3HG1 VAL 3 5.713 15.986 -3.520 224 1HG2 VAL 3 1HG2 VAL 3 7.992 13.639 -5.391 225 2HG2 VAL 3 2HG2 VAL 3 7.800 15.376 -5.538 226 3HG2 VAL 3 3HG2 VAL 3 7.887 14.650 -3.930 227 H SER 4 H SER 4 7.500 11.881 -4.854 228 HA SER 4 HA SER 4 5.982 10.046 -6.543 229 1HB SER 4 1HB SER 4 8.135 9.027 -7.041 230 2HB SER 4 2HB SER 4 8.123 10.782 -7.291 231 HG SER 4 HG SER 4 10.004 10.110 -6.185 232 H GLY 5 H GLY 5 7.812 9.800 -3.506 233 1HA GLY 5 1HA GLY 5 7.287 7.101 -2.805 234 2HA GLY 5 2HA GLY 5 7.516 8.425 -1.654 235 H LEU 6 H LEU 6 5.459 10.028 -1.749 236 HA LEU 6 HA LEU 6 3.249 8.878 -0.612 237 1HB LEU 6 1HB LEU 6 3.768 11.266 -0.746 238 2HB LEU 6 2HB LEU 6 3.217 11.342 -2.417 239 HG LEU 6 HG LEU 6 1.448 10.432 -0.110 240 1HD1 LEU 6 1HD1 LEU 6 1.665 13.231 -1.303 241 2HD1 LEU 6 2HD1 LEU 6 0.577 12.723 -0.002 242 3HD1 LEU 6 3HD1 LEU 6 2.324 12.759 0.277 243 1HD2 LEU 6 1HD2 LEU 6 0.816 11.406 -2.929 244 2HD2 LEU 6 2HD2 LEU 6 0.374 9.842 -2.200 245 3HD2 LEU 6 3HD2 LEU 6 -0.392 11.311 -1.636 246 H ILE 7 H ILE 7 3.242 9.783 -4.159 247 HA ILE 7 HA ILE 7 0.734 8.459 -4.506 248 HB ILE 7 HB ILE 7 0.956 8.711 -6.855 249 1HG1 ILE 7 1HG1 ILE 7 3.861 9.392 -6.353 250 2HG1 ILE 7 2HG1 ILE 7 3.220 8.042 -7.292 251 1HG2 ILE 7 1HG2 ILE 7 0.368 10.634 -5.383 252 2HG2 ILE 7 2HG2 ILE 7 2.047 11.193 -5.480 253 3HG2 ILE 7 3HG2 ILE 7 1.043 11.111 -6.940 254 1HD1 ILE 7 1HD1 ILE 7 2.214 9.684 -8.900 255 2HD1 ILE 7 2HD1 ILE 7 3.069 10.985 -8.031 256 3HD1 ILE 7 3HD1 ILE 7 3.988 9.703 -8.831 257 H GLU 8 H GLU 8 4.059 7.184 -5.030 258 HA GLU 8 HA GLU 8 3.289 4.683 -6.128 259 1HB GLU 8 1HB GLU 8 5.574 5.581 -6.090 260 2HB GLU 8 2HB GLU 8 5.645 5.403 -4.332 261 1HG GLU 8 1HG GLU 8 5.390 2.930 -4.577 262 2HG GLU 8 2HG GLU 8 5.267 3.121 -6.334 263 H ALA 9 H ALA 9 3.930 5.525 -2.691 264 HA ALA 9 HA ALA 9 3.206 3.047 -1.534 265 1HB ALA 9 1HB ALA 9 4.437 4.816 -0.351 266 2HB ALA 9 2HB ALA 9 3.002 5.864 -0.383 267 3HB ALA 9 3HB ALA 9 2.979 4.351 0.549 268 H ARG 10 H ARG 10 1.180 5.963 -2.143 269 HA ARG 10 HA ARG 10 -1.191 4.860 -1.031 270 1HB ARG 10 1HB ARG 10 -0.637 7.287 -1.519 271 2HB ARG 10 2HB ARG 10 -1.101 6.983 -3.204 272 1HG ARG 10 1HG ARG 10 -3.371 6.255 -2.396 273 2HG ARG 10 2HG ARG 10 -2.827 6.491 -0.728 274 1HD ARG 10 1HD ARG 10 -2.336 8.954 -1.412 275 2HD ARG 10 2HD ARG 10 -3.259 8.600 -2.870 276 HE ARG 10 HE ARG 10 -5.227 8.616 -1.637 277 1HH1 ARG 10 1HH1 ARG 10 -2.501 8.561 0.625 278 2HH1 ARG 10 2HH1 ARG 10 -3.528 8.817 2.008 279 1HH2 ARG 10 1HH2 ARG 10 -6.490 8.937 0.195 280 2HH2 ARG 10 2HH2 ARG 10 -5.758 8.890 1.796 281 H LYS 11 H LYS 11 -0.075 4.921 -4.462 282 HA LYS 11 HA LYS 11 -2.309 3.512 -5.563 283 1HB LYS 11 1HB LYS 11 0.597 3.770 -6.405 284 2HB LYS 11 2HB LYS 11 -0.608 2.889 -7.357 285 1HG LYS 11 1HG LYS 11 -1.982 4.845 -7.639 286 2HG LYS 11 2HG LYS 11 -0.971 5.800 -6.543 287 1HD LYS 11 1HD LYS 11 0.973 5.520 -8.050 288 2HD LYS 11 2HD LYS 11 -0.012 4.579 -9.182 289 1HE LYS 11 1HE LYS 11 -0.563 7.478 -8.363 290 2HE LYS 11 2HE LYS 11 0.268 6.985 -9.847 291 1HZ LYS 11 1HZ LYS 11 -1.709 5.803 -10.493 292 2HZ LYS 11 2HZ LYS 11 -2.493 6.295 -9.130 293 3HZ LYS 11 3HZ LYS 11 -2.027 7.403 -10.254 294 H TYR 12 H TYR 12 0.826 2.271 -4.254 295 HA TYR 12 HA TYR 12 0.257 -0.487 -4.690 296 1HB TYR 12 1HB TYR 12 2.477 0.368 -4.172 297 2HB TYR 12 2HB TYR 12 1.954 0.870 -2.569 298 HD1 TYR 12 1HD TYR 12 2.766 -2.049 -4.722 299 HD2 TYR 12 2HD TYR 12 1.576 -0.768 -0.785 300 HE1 TYR 12 1HE TYR 12 3.247 -4.321 -3.825 301 HE2 TYR 12 2HE TYR 12 2.004 -3.033 0.084 302 HH TYR 12 HH TYR 12 2.755 -5.108 -0.379 303 H LEU 13 H LEU 13 -0.249 1.491 -1.737 304 HA LEU 13 HA LEU 13 -1.561 -0.320 -0.072 305 1HB LEU 13 1HB LEU 13 -0.910 1.868 0.692 306 2HB LEU 13 2HB LEU 13 -1.906 2.662 -0.517 307 HG LEU 13 HG LEU 13 -3.965 1.950 0.602 308 1HD1 LEU 13 1HD1 LEU 13 -3.846 0.920 2.854 309 2HD1 LEU 13 2HD1 LEU 13 -3.224 -0.161 1.608 310 3HD1 LEU 13 3HD1 LEU 13 -2.093 0.711 2.673 311 1HD2 LEU 13 1HD2 LEU 13 -3.726 3.352 2.596 312 2HD2 LEU 13 2HD2 LEU 13 -1.955 3.267 2.474 313 3HD2 LEU 13 3HD2 LEU 13 -2.900 4.085 1.209 314 H GLU 14 H GLU 14 -3.172 1.948 -2.370 315 HA GLU 14 HA GLU 14 -5.775 0.902 -2.062 316 1HB GLU 14 1HB GLU 14 -4.403 2.374 -4.343 317 2HB GLU 14 2HB GLU 14 -6.117 1.951 -4.386 318 1HG GLU 14 1HG GLU 14 -4.825 3.646 -2.196 319 2HG GLU 14 2HG GLU 14 -5.724 4.277 -3.578 320 H GLN 15 H GLN 15 -3.413 0.030 -4.686 321 HA GLN 15 HA GLN 15 -5.101 -1.903 -5.908 322 1HB GLN 15 1HB GLN 15 -2.087 -1.669 -5.711 323 2HB GLN 15 2HB GLN 15 -2.890 -2.897 -6.701 324 1HG GLN 15 1HG GLN 15 -3.966 -1.277 -8.096 325 2HG GLN 15 2HG GLN 15 -3.510 0.066 -7.039 326 1HE2 GLN 15 1HE2 GLN 15 -1.096 0.258 -6.641 327 2HE2 GLN 15 2HE2 GLN 15 -0.063 0.086 -8.076 328 H LEU 16 H LEU 16 -2.664 -2.407 -3.298 329 HA LEU 16 HA LEU 16 -3.106 -5.209 -3.097 330 1HB LEU 16 1HB LEU 16 -1.119 -4.035 -2.246 331 2HB LEU 16 2HB LEU 16 -2.102 -3.237 -1.013 332 HG LEU 16 HG LEU 16 -2.583 -5.406 0.051 333 1HD1 LEU 16 1HD1 LEU 16 -1.330 -7.449 -0.692 334 2HD1 LEU 16 2HD1 LEU 16 -2.543 -6.954 -1.871 335 3HD1 LEU 16 3HD1 LEU 16 -0.830 -6.586 -2.159 336 1HD2 LEU 16 1HD2 LEU 16 -0.487 -4.109 0.614 337 2HD2 LEU 16 2HD2 LEU 16 -0.350 -5.858 0.895 338 3HD2 LEU 16 3HD2 LEU 16 0.386 -5.128 -0.544 339 H HIS 17 H HIS 17 -4.484 -2.512 -1.135 340 HA HIS 17 HA HIS 17 -6.251 -4.018 0.462 341 1HB HIS 17 1HB HIS 17 -5.842 -1.665 0.859 342 2HB HIS 17 2HB HIS 17 -6.507 -1.237 -0.716 343 HD1 HIS 17 1HD HIS 17 -8.357 -3.678 1.685 344 HD2 HIS 17 2HD HIS 17 -8.562 0.190 -0.003 345 HE1 HIS 17 1HE HIS 17 -10.655 -2.748 2.228 346 H ARG 18 H ARG 18 -6.839 -2.643 -2.820 347 HA ARG 18 HA ARG 18 -9.521 -3.536 -3.078 348 1HB ARG 18 1HB ARG 18 -7.386 -2.900 -5.121 349 2HB ARG 18 2HB ARG 18 -9.055 -3.295 -5.564 350 1HG ARG 18 1HG ARG 18 -9.950 -1.406 -4.367 351 2HG ARG 18 2HG ARG 18 -8.411 -1.076 -3.579 352 1HD ARG 18 1HD ARG 18 -7.423 -0.693 -5.913 353 2HD ARG 18 2HD ARG 18 -9.100 -0.730 -6.511 354 HE ARG 18 HE ARG 18 -8.735 1.079 -4.261 355 1HH1 ARG 18 1HH1 ARG 18 -8.297 0.876 -7.748 356 2HH1 ARG 18 2HH1 ARG 18 -8.265 2.611 -7.968 357 1HH2 ARG 18 1HH2 ARG 18 -8.578 3.281 -4.524 358 2HH2 ARG 18 2HH2 ARG 18 -8.482 3.992 -6.124 359 H LYS 19 H LYS 19 -6.467 -5.231 -4.063 360 HA LYS 19 HA LYS 19 -7.807 -7.600 -4.993 361 1HB LYS 19 1HB LYS 19 -5.042 -7.157 -3.826 362 2HB LYS 19 2HB LYS 19 -5.610 -8.723 -4.433 363 1HG LYS 19 1HG LYS 19 -6.148 -7.673 -6.630 364 2HG LYS 19 2HG LYS 19 -5.438 -6.158 -6.079 365 1HD LYS 19 1HD LYS 19 -4.009 -8.863 -6.306 366 2HD LYS 19 2HD LYS 19 -3.894 -7.553 -7.484 367 1HE LYS 19 1HE LYS 19 -2.918 -7.433 -4.590 368 2HE LYS 19 2HE LYS 19 -1.916 -7.603 -6.033 369 1HZ LYS 19 1HZ LYS 19 -1.988 -5.348 -5.302 370 2HZ LYS 19 2HZ LYS 19 -2.713 -5.476 -6.778 371 3HZ LYS 19 3HZ LYS 19 -3.632 -5.305 -5.419 372 H LEU 20 H LEU 20 -6.482 -6.870 -1.722 373 HA LEU 20 HA LEU 20 -7.418 -9.239 -0.426 374 1HB LEU 20 1HB LEU 20 -6.667 -6.453 0.424 375 2HB LEU 20 2HB LEU 20 -7.462 -7.507 1.585 376 HG LEU 20 HG LEU 20 -5.765 -9.100 1.605 377 1HD1 LEU 20 1HD1 LEU 20 -4.458 -7.733 -0.778 378 2HD1 LEU 20 2HD1 LEU 20 -3.722 -9.012 0.198 379 3HD1 LEU 20 3HD1 LEU 20 -5.166 -9.359 -0.756 380 1HD2 LEU 20 1HD2 LEU 20 -5.356 -6.893 2.751 381 2HD2 LEU 20 2HD2 LEU 20 -3.857 -7.760 2.344 382 3HD2 LEU 20 3HD2 LEU 20 -4.395 -6.384 1.355 383 H LYS 21 H LYS 21 -9.151 -6.202 -1.078 384 HA LYS 21 HA LYS 21 -11.535 -6.910 0.366 385 1HB LYS 21 1HB LYS 21 -10.786 -4.631 -0.174 386 2HB LYS 21 2HB LYS 21 -11.077 -4.925 -1.892 387 1HG LYS 21 1HG LYS 21 -13.418 -4.934 -1.628 388 2HG LYS 21 2HG LYS 21 -13.322 -5.314 0.099 389 1HD LYS 21 1HD LYS 21 -13.998 -2.958 -0.266 390 2HD LYS 21 2HD LYS 21 -12.488 -3.098 0.637 391 1HE LYS 21 1HE LYS 21 -11.210 -2.644 -1.497 392 2HE LYS 21 2HE LYS 21 -12.763 -2.410 -2.324 393 1HZ LYS 21 1HZ LYS 21 -13.179 -0.632 -0.715 394 2HZ LYS 21 2HZ LYS 21 -11.678 -0.871 -0.062 395 3HZ LYS 21 3HZ LYS 21 -11.827 -0.353 -1.618 396 H ASN 22 H ASN 22 -10.591 -7.200 -3.075 397 HA ASN 22 HA ASN 22 -12.997 -8.422 -4.020 398 1HB ASN 22 1HB ASN 22 -11.280 -7.448 -5.495 399 2HB ASN 22 2HB ASN 22 -10.123 -8.687 -4.993 400 1HD2 ASN 22 1HD2 ASN 22 -13.448 -8.399 -6.421 401 2HD2 ASN 22 2HD2 ASN 22 -13.219 -9.796 -7.467 402 H CYS 23 H CYS 23 -10.066 -9.798 -2.532 403 HA CYS 23 HA CYS 23 -10.893 -12.567 -2.539 404 1HB CYS 23 1HB CYS 23 -8.557 -11.722 -2.267 405 2HB CYS 23 2HB CYS 23 -9.035 -11.016 -0.728 406 H LYS 24 H LYS 24 -13.222 -11.677 -1.963 407 HA LYS 24 HA LYS 24 -13.678 -10.822 0.736 408 1HB LYS 24 1HB LYS 24 -14.855 -10.175 -1.485 409 2HB LYS 24 2HB LYS 24 -15.767 -11.667 -1.293 410 1HG LYS 24 1HG LYS 24 -17.154 -10.035 -0.361 411 2HG LYS 24 2HG LYS 24 -16.398 -10.733 1.075 412 1HD LYS 24 1HD LYS 24 -14.716 -8.824 1.033 413 2HD LYS 24 2HD LYS 24 -15.533 -8.183 -0.395 414 1HE LYS 24 1HE LYS 24 -17.645 -7.952 0.915 415 2HE LYS 24 2HE LYS 24 -16.814 -8.570 2.354 416 1HZ LYS 24 1HZ LYS 24 -16.881 -6.187 2.322 417 2HZ LYS 24 2HZ LYS 24 -15.318 -6.696 2.194 418 3HZ LYS 24 3HZ LYS 24 -16.112 -6.133 0.866 419 H VAL 25 H VAL 25 -12.516 -13.138 1.239 420 HA VAL 25 HA VAL 25 -14.621 -15.214 1.753 421 HB VAL 25 HB VAL 25 -12.739 -16.755 2.090 422 1HG1 VAL 25 1HG1 VAL 25 -12.100 -16.923 -0.256 423 2HG1 VAL 25 2HG1 VAL 25 -13.820 -16.523 -0.112 424 3HG1 VAL 25 3HG1 VAL 25 -12.650 -15.266 -0.565 425 1HG2 VAL 25 1HG2 VAL 25 -11.014 -15.015 2.768 426 2HG2 VAL 25 2HG2 VAL 25 -10.470 -16.161 1.533 427 3HG2 VAL 25 3HG2 VAL 25 -10.940 -14.522 1.066 428 1H GLU 1 1H GLU 1 -8.012 15.348 1.576 429 2H GLU 1 2H GLU 1 -8.901 14.704 0.343 430 3H GLU 1 3H GLU 1 -7.253 14.715 0.267 431 HA GLU 1 HA GLU 1 -8.859 13.245 2.212 432 1HB GLU 1 1HB GLU 1 -8.301 11.221 1.022 433 2HB GLU 1 2HB GLU 1 -9.029 12.368 -0.101 434 1HG GLU 1 1HG GLU 1 -6.739 12.993 -0.924 435 2HG GLU 1 2HG GLU 1 -6.030 11.784 0.158 436 H ASN 2 H ASN 2 -7.428 11.368 3.134 437 HA ASN 2 HA ASN 2 -5.174 12.577 4.519 438 1HB ASN 2 1HB ASN 2 -6.195 9.709 4.460 439 2HB ASN 2 2HB ASN 2 -5.021 10.359 5.613 440 1HD2 ASN 2 1HD2 ASN 2 -5.939 12.567 6.714 441 2HD2 ASN 2 2HD2 ASN 2 -7.475 12.194 7.489 442 H ARG 3 H ARG 3 -4.216 13.049 2.283 443 HA ARG 3 HA ARG 3 -3.332 11.189 0.505 444 1HB ARG 3 1HB ARG 3 -2.028 12.883 -0.491 445 2HB ARG 3 2HB ARG 3 -3.569 13.531 0.040 446 1HG ARG 3 1HG ARG 3 -0.905 14.011 1.486 447 2HG ARG 3 2HG ARG 3 -1.609 15.023 0.256 448 1HD ARG 3 1HD ARG 3 -2.204 16.148 2.167 449 2HD ARG 3 2HD ARG 3 -3.674 15.302 1.719 450 HE ARG 3 HE ARG 3 -3.599 14.214 3.741 451 1HH1 ARG 3 1HH1 ARG 3 -0.320 15.468 3.157 452 2HH1 ARG 3 2HH1 ARG 3 0.206 14.994 4.776 453 1HH2 ARG 3 1HH2 ARG 3 -2.814 13.736 5.843 454 2HH2 ARG 3 2HH2 ARG 3 -1.118 14.080 6.196 455 H GLU 4 H GLU 4 -1.223 12.542 3.075 456 HA GLU 4 HA GLU 4 1.053 11.167 1.940 457 1HB GLU 4 1HB GLU 4 1.117 13.427 2.787 458 2HB GLU 4 2HB GLU 4 0.873 12.821 4.433 459 1HG GLU 4 1HG GLU 4 3.041 11.485 4.131 460 2HG GLU 4 2HG GLU 4 3.205 12.205 2.529 461 H VAL 5 H VAL 5 0.311 9.031 2.058 462 HA VAL 5 HA VAL 5 0.216 7.422 4.364 463 HB VAL 5 HB VAL 5 1.497 6.700 1.692 464 1HG1 VAL 5 1HG1 VAL 5 0.182 4.968 3.833 465 2HG1 VAL 5 2HG1 VAL 5 0.782 4.406 2.262 466 3HG1 VAL 5 3HG1 VAL 5 1.920 5.029 3.461 467 1HG2 VAL 5 1HG2 VAL 5 -0.696 7.521 1.167 468 2HG2 VAL 5 2HG2 VAL 5 -0.803 5.763 1.180 469 3HG2 VAL 5 3HG2 VAL 5 -1.413 6.691 2.565 470 HA PRO 6 HA PRO 6 4.447 8.209 5.696 471 1HB PRO 6 1HB PRO 6 4.621 6.630 7.925 472 2HB PRO 6 2HB PRO 6 3.624 8.104 7.859 473 1HG PRO 6 1HG PRO 6 2.702 5.253 7.405 474 2HG PRO 6 2HG PRO 6 1.992 6.482 8.493 475 1HD PRO 6 1HD PRO 6 0.987 6.054 6.010 476 2HD PRO 6 2HD PRO 6 1.120 7.716 6.669 477 HA PRO 7 HA PRO 7 6.947 4.789 3.929 478 1HB PRO 7 1HB PRO 7 8.807 5.830 6.086 479 2HB PRO 7 2HB PRO 7 9.214 5.303 4.425 480 1HG PRO 7 1HG PRO 7 8.973 7.944 4.948 481 2HG PRO 7 2HG PRO 7 8.177 7.270 3.494 482 1HD PRO 7 1HD PRO 7 6.918 7.922 6.169 483 2HD PRO 7 2HD PRO 7 6.332 8.272 4.512 484 H GLY 8 H GLY 8 6.425 5.291 7.409 485 1HA GLY 8 1HA GLY 8 6.994 2.862 8.595 486 2HA GLY 8 2HA GLY 8 5.575 3.848 8.970 487 H PHE 9 H PHE 9 4.202 3.544 6.413 488 HA PHE 9 HA PHE 9 2.939 0.956 6.791 489 1HB PHE 9 1HB PHE 9 1.604 2.759 5.939 490 2HB PHE 9 2HB PHE 9 2.750 3.073 4.637 491 HD1 PHE 9 1HD PHE 9 2.186 2.300 2.505 492 HD2 PHE 9 2HD PHE 9 0.821 0.107 5.957 493 HE1 PHE 9 1HE PHE 9 1.170 0.607 1.026 494 HE2 PHE 9 2HE PHE 9 -0.170 -1.615 4.465 495 HZ PHE 9 HZ PHE 9 0.019 -1.379 1.997 496 H THR 10 H THR 10 5.259 2.253 4.349 497 HA THR 10 HA THR 10 5.482 -0.096 2.787 498 HB THR 10 HB THR 10 7.720 1.891 3.347 499 HG1 THR 10 1HG THR 10 5.550 2.092 1.535 500 1HG2 THR 10 1HG2 THR 10 6.947 0.267 0.879 501 2HG2 THR 10 2HG2 THR 10 8.282 1.432 0.993 502 3HG2 THR 10 3HG2 THR 10 8.330 -0.063 1.946 503 H ALA 11 H ALA 11 7.346 1.018 5.637 504 HA ALA 11 HA ALA 11 9.052 -1.249 5.889 505 1HB ALA 11 1HB ALA 11 9.338 0.977 6.997 506 2HB ALA 11 2HB ALA 11 8.028 0.550 8.119 507 3HB ALA 11 3HB ALA 11 9.529 -0.402 8.084 508 H LEU 12 H LEU 12 5.861 -0.585 7.439 509 HA LEU 12 HA LEU 12 5.555 -3.009 8.830 510 1HB LEU 12 1HB LEU 12 4.079 -1.069 9.040 511 2HB LEU 12 2HB LEU 12 3.375 -1.375 7.460 512 HG LEU 12 HG LEU 12 3.355 -3.565 9.571 513 1HD1 LEU 12 1HD1 LEU 12 2.514 -1.623 10.717 514 2HD1 LEU 12 2HD1 LEU 12 1.420 -1.234 9.365 515 3HD1 LEU 12 3HD1 LEU 12 1.166 -2.695 10.345 516 1HD2 LEU 12 1HD2 LEU 12 1.124 -4.061 8.466 517 2HD2 LEU 12 2HD2 LEU 12 1.506 -2.832 7.246 518 3HD2 LEU 12 3HD2 LEU 12 2.494 -4.299 7.399 519 H ILE 13 H ILE 13 4.271 -2.312 5.494 520 HA ILE 13 HA ILE 13 3.467 -5.009 5.207 521 HB ILE 13 HB ILE 13 2.610 -2.951 3.956 522 1HG1 ILE 13 1HG1 ILE 13 2.113 -4.390 1.870 523 2HG1 ILE 13 2HG1 ILE 13 3.028 -5.670 2.669 524 1HG2 ILE 13 1HG2 ILE 13 4.816 -2.274 3.024 525 2HG2 ILE 13 2HG2 ILE 13 4.780 -3.695 1.955 526 3HG2 ILE 13 3HG2 ILE 13 3.546 -2.427 1.813 527 1HD1 ILE 13 1HD1 ILE 13 1.419 -5.479 4.622 528 2HD1 ILE 13 2HD1 ILE 13 0.544 -4.225 3.722 529 3HD1 ILE 13 3HD1 ILE 13 0.616 -5.886 3.102 530 H LYS 14 H LYS 14 6.552 -3.469 4.228 531 HA LYS 14 HA LYS 14 7.688 -5.730 2.941 532 1HB LYS 14 1HB LYS 14 8.672 -3.483 2.957 533 2HB LYS 14 2HB LYS 14 9.021 -3.620 4.688 534 1HG LYS 14 1HG LYS 14 10.545 -5.534 4.231 535 2HG LYS 14 2HG LYS 14 10.138 -5.444 2.505 536 1HD LYS 14 1HD LYS 14 11.052 -3.132 2.415 537 2HD LYS 14 2HD LYS 14 11.442 -3.216 4.145 538 1HE LYS 14 1HE LYS 14 12.964 -5.140 3.707 539 2HE LYS 14 2HE LYS 14 12.572 -5.059 1.980 540 1HZ LYS 14 1HZ LYS 14 13.850 -2.927 3.546 541 2HZ LYS 14 2HZ LYS 14 14.607 -3.930 2.481 542 3HZ LYS 14 3HZ LYS 14 13.485 -2.852 1.942 543 H THR 15 H THR 15 7.867 -4.818 6.437 544 HA THR 15 HA THR 15 9.118 -7.291 7.201 545 HB THR 15 HB THR 15 8.401 -6.742 9.527 546 HG1 THR 15 1HG THR 15 7.325 -4.469 8.203 547 1HG2 THR 15 1HG2 THR 15 9.954 -4.895 9.725 548 2HG2 THR 15 2HG2 THR 15 10.566 -6.054 8.543 549 3HG2 THR 15 3HG2 THR 15 9.827 -4.536 7.987 550 H LEU 16 H LEU 16 5.672 -6.492 6.869 551 HA LEU 16 HA LEU 16 4.650 -8.922 7.922 552 1HB LEU 16 1HB LEU 16 3.432 -6.757 7.162 553 2HB LEU 16 2HB LEU 16 3.397 -7.467 5.558 554 HG LEU 16 HG LEU 16 2.342 -8.931 8.021 555 1HD1 LEU 16 1HD1 LEU 16 0.115 -8.098 7.478 556 2HD1 LEU 16 2HD1 LEU 16 1.198 -6.746 7.837 557 3HD1 LEU 16 3HD1 LEU 16 0.772 -7.118 6.151 558 1HD2 LEU 16 1HD2 LEU 16 2.603 -10.398 6.067 559 2HD2 LEU 16 2HD2 LEU 16 0.893 -10.061 6.307 560 3HD2 LEU 16 3HD2 LEU 16 1.781 -9.212 5.028 561 H ARG 17 H ARG 17 5.427 -8.077 4.514 562 HA ARG 17 HA ARG 17 5.097 -10.619 3.359 563 1HB ARG 17 1HB ARG 17 7.011 -8.342 2.711 564 2HB ARG 17 2HB ARG 17 6.921 -9.827 1.759 565 1HG ARG 17 1HG ARG 17 4.486 -9.435 1.391 566 2HG ARG 17 2HG ARG 17 4.620 -7.881 2.219 567 1HD ARG 17 1HD ARG 17 6.292 -7.101 0.603 568 2HD ARG 17 2HD ARG 17 6.309 -8.668 -0.211 569 HE ARG 17 HE ARG 17 4.409 -6.530 -0.589 570 1HH1 ARG 17 1HH1 ARG 17 4.663 -10.074 -0.687 571 2HH1 ARG 17 2HH1 ARG 17 3.361 -10.220 -1.844 572 1HH2 ARG 17 1HH2 ARG 17 2.770 -6.744 -1.988 573 2HH2 ARG 17 2HH2 ARG 17 2.258 -8.315 -2.599 574 H LYS 18 H LYS 18 8.116 -9.278 4.838 575 HA LYS 18 HA LYS 18 9.580 -11.708 4.404 576 1HB LYS 18 1HB LYS 18 10.042 -9.426 6.351 577 2HB LYS 18 2HB LYS 18 11.193 -10.738 6.061 578 1HG LYS 18 1HG LYS 18 10.191 -8.855 3.884 579 2HG LYS 18 2HG LYS 18 11.681 -8.643 4.788 580 1HD LYS 18 1HD LYS 18 12.798 -10.036 3.444 581 2HD LYS 18 2HD LYS 18 11.693 -11.362 3.769 582 1HE LYS 18 1HE LYS 18 11.250 -9.176 1.679 583 2HE LYS 18 2HE LYS 18 11.868 -10.802 1.345 584 1HZ LYS 18 1HZ LYS 18 9.814 -11.723 2.095 585 2HZ LYS 18 2HZ LYS 18 9.235 -10.236 2.504 586 3HZ LYS 18 3HZ LYS 18 9.522 -10.608 0.925 587 H CYS 19 H CYS 19 7.777 -10.637 7.332 588 HA CYS 19 HA CYS 19 8.304 -12.915 8.941 589 1HB CYS 19 1HB CYS 19 7.173 -10.908 9.764 590 2HB CYS 19 2HB CYS 19 5.800 -11.205 8.692 591 H LYS 20 H LYS 20 5.831 -12.391 6.421 592 HA LYS 20 HA LYS 20 4.892 -15.161 6.477 593 1HB LYS 20 1HB LYS 20 3.433 -13.209 6.135 594 2HB LYS 20 2HB LYS 20 4.315 -12.780 4.669 595 1HG LYS 20 1HG LYS 20 2.114 -13.814 4.269 596 2HG LYS 20 2HG LYS 20 3.422 -14.676 3.477 597 1HD LYS 20 1HD LYS 20 3.400 -16.407 5.243 598 2HD LYS 20 2HD LYS 20 2.175 -15.494 6.153 599 1HE LYS 20 1HE LYS 20 0.588 -15.762 4.247 600 2HE LYS 20 2HE LYS 20 1.834 -16.632 3.333 601 1HZ LYS 20 1HZ LYS 20 0.684 -17.506 5.892 602 2HZ LYS 20 2HZ LYS 20 0.320 -18.125 4.407 603 3HZ LYS 20 3HZ LYS 20 1.835 -18.306 5.028 604 H ILE 21 H ILE 21 7.810 -14.198 5.534 605 HA ILE 21 HA ILE 21 9.378 -14.758 4.082 606 HB ILE 21 HB ILE 21 7.573 -16.909 2.926 607 1HG1 ILE 21 1HG1 ILE 21 7.661 -17.325 5.303 608 2HG1 ILE 21 2HG1 ILE 21 8.687 -18.472 4.457 609 1HG2 ILE 21 1HG2 ILE 21 10.586 -16.515 2.901 610 2HG2 ILE 21 2HG2 ILE 21 9.738 -17.982 2.367 611 3HG2 ILE 21 3HG2 ILE 21 9.478 -16.453 1.520 612 1HD1 ILE 21 1HD1 ILE 21 10.705 -17.143 5.115 613 2HD1 ILE 21 2HD1 ILE 21 9.647 -16.024 6.008 614 3HD1 ILE 21 3HD1 ILE 21 9.765 -17.717 6.502 615 H ILE 22 H ILE 22 6.326 -14.974 2.261 616 HA ILE 22 HA ILE 22 7.464 -13.206 0.131 617 HB ILE 22 HB ILE 22 6.807 -15.470 -0.559 618 1HG1 ILE 22 1HG1 ILE 22 5.002 -13.322 -1.759 619 2HG1 ILE 22 2HG1 ILE 22 6.736 -13.486 -2.081 620 1HG2 ILE 22 1HG2 ILE 22 4.499 -16.209 -0.610 621 2HG2 ILE 22 2HG2 ILE 22 4.887 -15.788 1.051 622 3HG2 ILE 22 3HG2 ILE 22 3.926 -14.673 0.060 623 1HD1 ILE 22 1HD1 ILE 22 5.521 -14.521 -3.880 624 2HD1 ILE 22 2HD1 ILE 22 6.328 -15.799 -2.950 625 3HD1 ILE 22 3HD1 ILE 22 4.579 -15.522 -2.767 626 1H ASN 1 1H ASN 1 -4.856 8.759 9.293 627 2H ASN 1 2H ASN 1 -4.844 10.414 9.471 628 3H ASN 1 3H ASN 1 -5.220 9.436 10.747 629 HA ASN 1 HA ASN 1 -6.740 9.787 8.285 630 1HB ASN 1 1HB ASN 1 -8.481 8.349 9.365 631 2HB ASN 1 2HB ASN 1 -7.007 7.528 8.843 632 1HD2 ASN 1 1HD2 ASN 1 -5.505 6.719 10.401 633 2HD2 ASN 1 2HD2 ASN 1 -6.011 6.540 12.100 634 H LEU 2 H LEU 2 -7.565 9.860 11.810 635 HA LEU 2 HA LEU 2 -7.913 12.766 11.701 636 1HB LEU 2 1HB LEU 2 -10.084 11.890 10.892 637 2HB LEU 2 2HB LEU 2 -10.192 10.840 12.309 638 HG LEU 2 HG LEU 2 -10.296 12.868 13.783 639 1HD1 LEU 2 1HD1 LEU 2 -10.780 15.069 12.706 640 2HD1 LEU 2 2HD1 LEU 2 -9.133 14.531 12.368 641 3HD1 LEU 2 3HD1 LEU 2 -10.389 14.370 11.122 642 1HD2 LEU 2 1HD2 LEU 2 -12.361 12.777 11.547 643 2HD2 LEU 2 2HD2 LEU 2 -12.344 11.746 12.995 644 3HD2 LEU 2 3HD2 LEU 2 -12.590 13.493 13.156 645 H VAL 3 H VAL 3 -7.099 13.542 13.525 646 HA VAL 3 HA VAL 3 -5.691 13.224 15.385 647 HB VAL 3 HB VAL 3 -8.514 13.725 16.393 648 1HG1 VAL 3 1HG1 VAL 3 -7.354 15.127 18.091 649 2HG1 VAL 3 2HG1 VAL 3 -6.899 13.434 18.265 650 3HG1 VAL 3 3HG1 VAL 3 -5.785 14.572 17.481 651 1HG2 VAL 3 1HG2 VAL 3 -6.436 15.606 15.198 652 2HG2 VAL 3 2HG2 VAL 3 -8.026 15.208 14.509 653 3HG2 VAL 3 3HG2 VAL 3 -7.925 16.116 16.015 654 H SER 4 H SER 4 -8.595 11.652 16.824 655 HA SER 4 HA SER 4 -7.082 10.065 18.651 656 1HB SER 4 1HB SER 4 -9.337 8.928 18.911 657 2HB SER 4 2HB SER 4 -9.350 10.693 19.116 658 HG SER 4 HG SER 4 -11.037 9.955 17.685 659 H GLY 5 H GLY 5 -8.991 9.110 15.831 660 1HA GLY 5 1HA GLY 5 -8.090 6.442 15.449 661 2HA GLY 5 2HA GLY 5 -8.727 7.511 14.201 662 H LEU 6 H LEU 6 -6.641 9.533 14.401 663 HA LEU 6 HA LEU 6 -4.589 8.420 12.727 664 1HB LEU 6 1HB LEU 6 -5.370 10.797 12.825 665 2HB LEU 6 2HB LEU 6 -4.399 11.030 14.278 666 HG LEU 6 HG LEU 6 -3.324 10.155 11.574 667 1HD1 LEU 6 1HD1 LEU 6 -4.313 12.436 11.543 668 2HD1 LEU 6 2HD1 LEU 6 -3.312 12.886 12.938 669 3HD1 LEU 6 3HD1 LEU 6 -2.551 12.503 11.382 670 1HD2 LEU 6 1HD2 LEU 6 -1.906 11.014 14.133 671 2HD2 LEU 6 2HD2 LEU 6 -1.708 9.484 13.243 672 3HD2 LEU 6 3HD2 LEU 6 -1.131 10.984 12.536 673 H ILE 7 H ILE 7 -4.289 9.630 16.143 674 HA ILE 7 HA ILE 7 -1.675 8.507 16.428 675 HB ILE 7 HB ILE 7 -1.832 8.884 18.784 676 1HG1 ILE 7 1HG1 ILE 7 -4.754 9.619 18.368 677 2HG1 ILE 7 2HG1 ILE 7 -4.157 8.195 19.233 678 1HG2 ILE 7 1HG2 ILE 7 -3.067 11.216 17.266 679 2HG2 ILE 7 2HG2 ILE 7 -2.001 11.288 18.683 680 3HG2 ILE 7 3HG2 ILE 7 -1.370 10.721 17.139 681 1HD1 ILE 7 1HD1 ILE 7 -2.992 9.710 20.849 682 2HD1 ILE 7 2HD1 ILE 7 -3.797 11.093 20.063 683 3HD1 ILE 7 3HD1 ILE 7 -4.763 9.839 20.852 684 H GLU 8 H GLU 8 -4.868 7.102 17.216 685 HA GLU 8 HA GLU 8 -3.961 4.666 18.338 686 1HB GLU 8 1HB GLU 8 -6.260 5.467 18.382 687 2HB GLU 8 2HB GLU 8 -6.420 5.267 16.639 688 1HG GLU 8 1HG GLU 8 -5.791 2.967 18.558 689 2HG GLU 8 2HG GLU 8 -7.432 3.437 18.103 690 H ALA 9 H ALA 9 -4.827 5.294 14.869 691 HA ALA 9 HA ALA 9 -3.969 2.788 13.907 692 1HB ALA 9 1HB ALA 9 -4.004 3.843 11.704 693 2HB ALA 9 2HB ALA 9 -5.411 4.329 12.661 694 3HB ALA 9 3HB ALA 9 -4.044 5.455 12.456 695 H ARG 10 H ARG 10 -2.107 5.838 14.262 696 HA ARG 10 HA ARG 10 0.349 4.900 13.159 697 1HB ARG 10 1HB ARG 10 -0.098 7.222 13.496 698 2HB ARG 10 2HB ARG 10 -0.238 7.018 15.248 699 1HG ARG 10 1HG ARG 10 2.079 6.591 15.522 700 2HG ARG 10 2HG ARG 10 2.335 6.280 13.795 701 1HD ARG 10 1HD ARG 10 1.404 8.969 14.863 702 2HD ARG 10 2HD ARG 10 3.120 8.556 14.671 703 HE ARG 10 HE ARG 10 2.233 7.917 12.228 704 1HH1 ARG 10 1HH1 ARG 10 1.682 10.887 14.064 705 2HH1 ARG 10 2HH1 ARG 10 1.531 11.870 12.624 706 1HH2 ARG 10 1HH2 ARG 10 2.140 9.206 10.430 707 2HH2 ARG 10 2HH2 ARG 10 1.737 10.907 10.545 708 H LYS 11 H LYS 11 -0.731 4.865 16.615 709 HA LYS 11 HA LYS 11 1.583 3.524 17.628 710 1HB LYS 11 1HB LYS 11 -1.304 3.660 18.568 711 2HB LYS 11 2HB LYS 11 -0.020 2.838 19.474 712 1HG LYS 11 1HG LYS 11 1.235 4.872 19.761 713 2HG LYS 11 2HG LYS 11 0.233 5.741 18.603 714 1HD LYS 11 1HD LYS 11 -0.373 6.390 20.883 715 2HD LYS 11 2HD LYS 11 -1.721 5.617 20.046 716 1HE LYS 11 1HE LYS 11 -1.548 4.864 22.392 717 2HE LYS 11 2HE LYS 11 -1.334 3.514 21.276 718 1HZ LYS 11 1HZ LYS 11 0.834 4.990 22.610 719 2HZ LYS 11 2HZ LYS 11 0.278 3.501 23.043 720 3HZ LYS 11 3HZ LYS 11 1.028 3.710 21.592 721 H TYR 12 H TYR 12 -1.569 2.180 16.540 722 HA TYR 12 HA TYR 12 -0.977 -0.562 16.881 723 1HB TYR 12 1HB TYR 12 -3.205 0.320 16.432 724 2HB TYR 12 2HB TYR 12 -2.720 0.842 14.824 725 HD1 TYR 12 1HD TYR 12 -2.349 -0.790 13.011 726 HD2 TYR 12 2HD TYR 12 -3.585 -2.071 16.932 727 HE1 TYR 12 1HE TYR 12 -2.985 -3.012 12.088 728 HE2 TYR 12 2HE TYR 12 -4.179 -4.297 16.014 729 HH TYR 12 HH TYR 12 -4.266 -5.610 14.162 730 H LEU 13 H LEU 13 -0.549 1.438 13.922 731 HA LEU 13 HA LEU 13 0.705 -0.463 12.273 732 1HB LEU 13 1HB LEU 13 -0.142 1.609 11.455 733 2HB LEU 13 2HB LEU 13 0.961 2.564 12.440 734 HG LEU 13 HG LEU 13 2.283 0.636 10.579 735 1HD1 LEU 13 1HD1 LEU 13 1.956 2.115 8.625 736 2HD1 LEU 13 2HD1 LEU 13 0.437 1.371 9.148 737 3HD1 LEU 13 3HD1 LEU 13 0.777 3.065 9.547 738 1HD2 LEU 13 1HD2 LEU 13 2.698 3.605 11.141 739 2HD2 LEU 13 2HD2 LEU 13 3.580 2.283 11.932 740 3HD2 LEU 13 3HD2 LEU 13 3.768 2.550 10.197 741 H GLU 14 H GLU 14 2.264 1.906 14.496 742 HA GLU 14 HA GLU 14 4.931 1.121 14.082 743 1HB GLU 14 1HB GLU 14 4.188 3.152 15.246 744 2HB GLU 14 2HB GLU 14 3.597 2.188 16.606 745 1HG GLU 14 1HG GLU 14 5.914 1.394 17.060 746 2HG GLU 14 2HG GLU 14 6.502 2.314 15.663 747 H GLN 15 H GLN 15 2.712 -0.051 16.693 748 HA GLN 15 HA GLN 15 4.556 -1.956 17.716 749 1HB GLN 15 1HB GLN 15 2.656 -1.162 18.999 750 2HB GLN 15 2HB GLN 15 1.521 -1.865 17.839 751 1HG GLN 15 1HG GLN 15 1.708 -3.229 19.871 752 2HG GLN 15 2HG GLN 15 2.227 -4.145 18.460 753 1HE2 GLN 15 1HE2 GLN 15 4.616 -4.473 18.157 754 2HE2 GLN 15 2HE2 GLN 15 5.606 -4.457 19.610 755 H LEU 16 H LEU 16 1.927 -2.387 15.289 756 HA LEU 16 HA LEU 16 2.289 -5.175 14.950 757 1HB LEU 16 1HB LEU 16 0.304 -3.978 14.212 758 2HB LEU 16 2HB LEU 16 1.245 -3.061 13.029 759 HG LEU 16 HG LEU 16 1.671 -5.060 11.717 760 1HD1 LEU 16 1HD1 LEU 16 0.161 -6.562 13.910 761 2HD1 LEU 16 2HD1 LEU 16 0.565 -7.238 12.319 762 3HD1 LEU 16 3HD1 LEU 16 1.857 -6.808 13.441 763 1HD2 LEU 16 1HD2 LEU 16 -0.592 -5.536 10.975 764 2HD2 LEU 16 2HD2 LEU 16 -1.260 -5.007 12.531 765 3HD2 LEU 16 3HD2 LEU 16 -0.509 -3.826 11.443 766 H HIS 17 H HIS 17 3.679 -2.444 13.037 767 HA HIS 17 HA HIS 17 5.397 -3.928 11.357 768 1HB HIS 17 1HB HIS 17 5.023 -1.558 11.050 769 2HB HIS 17 2HB HIS 17 5.696 -1.193 12.636 770 HD1 HIS 17 1HD HIS 17 7.537 -3.561 10.171 771 HD2 HIS 17 2HD HIS 17 7.724 0.278 11.921 772 HE1 HIS 17 1HE HIS 17 9.845 -2.608 9.650 773 H ARG 18 H ARG 18 6.118 -2.584 14.646 774 HA ARG 18 HA ARG 18 8.733 -3.587 14.843 775 1HB ARG 18 1HB ARG 18 7.464 -1.984 16.409 776 2HB ARG 18 2HB ARG 18 6.806 -3.431 17.177 777 1HG ARG 18 1HG ARG 18 9.572 -3.961 17.081 778 2HG ARG 18 2HG ARG 18 9.507 -2.210 17.303 779 1HD ARG 18 1HD ARG 18 9.529 -3.116 19.496 780 2HD ARG 18 2HD ARG 18 7.834 -2.672 19.213 781 HE ARG 18 HE ARG 18 8.569 -5.438 18.463 782 1HH1 ARG 18 1HH1 ARG 18 7.422 -3.477 21.175 783 2HH1 ARG 18 2HH1 ARG 18 6.846 -4.869 22.058 784 1HH2 ARG 18 1HH2 ARG 18 7.974 -7.125 19.584 785 2HH2 ARG 18 2HH2 ARG 18 7.167 -7.013 21.149 786 H LYS 19 H LYS 19 5.671 -5.184 15.841 787 HA LYS 19 HA LYS 19 6.806 -7.605 16.790 788 1HB LYS 19 1HB LYS 19 4.514 -6.766 17.177 789 2HB LYS 19 2HB LYS 19 4.078 -7.182 15.509 790 1HG LYS 19 1HG LYS 19 4.690 -9.571 15.986 791 2HG LYS 19 2HG LYS 19 5.063 -9.131 17.652 792 1HD LYS 19 1HD LYS 19 2.353 -8.943 16.244 793 2HD LYS 19 2HD LYS 19 2.818 -10.125 17.470 794 1HE LYS 19 1HE LYS 19 2.401 -7.126 17.875 795 2HE LYS 19 2HE LYS 19 1.411 -8.446 18.497 796 1HZ LYS 19 1HZ LYS 19 4.196 -7.906 19.246 797 2HZ LYS 19 2HZ LYS 19 2.865 -7.616 20.172 798 3HZ LYS 19 3HZ LYS 19 3.289 -9.165 19.802 799 H LEU 20 H LEU 20 5.580 -6.786 13.504 800 HA LEU 20 HA LEU 20 6.264 -9.316 12.320 801 1HB LEU 20 1HB LEU 20 5.898 -6.560 11.113 802 2HB LEU 20 2HB LEU 20 6.030 -8.051 10.173 803 HG LEU 20 HG LEU 20 3.868 -7.645 12.295 804 1HD1 LEU 20 1HD1 LEU 20 2.374 -7.121 10.379 805 2HD1 LEU 20 2HD1 LEU 20 3.647 -5.904 10.602 806 3HD1 LEU 20 3HD1 LEU 20 3.797 -7.108 9.317 807 1HD2 LEU 20 1HD2 LEU 20 2.716 -9.431 11.013 808 2HD2 LEU 20 2HD2 LEU 20 4.171 -9.645 10.023 809 3HD2 LEU 20 3HD2 LEU 20 4.212 -9.993 11.760 810 H LYS 21 H LYS 21 8.170 -6.328 12.775 811 HA LYS 21 HA LYS 21 10.483 -7.252 11.358 812 1HB LYS 21 1HB LYS 21 10.016 -4.911 12.063 813 2HB LYS 21 2HB LYS 21 10.360 -5.362 13.737 814 1HG LYS 21 1HG LYS 21 12.663 -5.822 13.249 815 2HG LYS 21 2HG LYS 21 12.366 -5.852 11.505 816 1HD LYS 21 1HD LYS 21 13.485 -3.768 12.143 817 2HD LYS 21 2HD LYS 21 11.879 -3.452 11.470 818 1HE LYS 21 1HE LYS 21 10.960 -3.138 13.749 819 2HE LYS 21 2HE LYS 21 12.544 -3.525 14.452 820 1HZ LYS 21 1HZ LYS 21 12.165 -1.176 14.303 821 2HZ LYS 21 2HZ LYS 21 13.413 -1.600 13.314 822 3HZ LYS 21 3HZ LYS 21 11.933 -1.263 12.674 823 H ASN 22 H ASN 22 9.561 -7.518 14.836 824 HA ASN 22 HA ASN 22 11.761 -9.105 15.688 825 1HB ASN 22 1HB ASN 22 8.899 -9.375 16.698 826 2HB ASN 22 2HB ASN 22 10.378 -9.833 17.532 827 1HD2 ASN 22 1HD2 ASN 22 11.904 -7.368 16.893 828 2HD2 ASN 22 2HD2 ASN 22 11.127 -6.136 17.879 829 H CYS 23 H CYS 23 8.644 -10.181 14.288 830 HA CYS 23 HA CYS 23 9.035 -12.967 14.286 831 1HB CYS 23 1HB CYS 23 6.926 -11.958 13.599 832 2HB CYS 23 2HB CYS 23 7.726 -11.163 12.247 833 H LYS 24 H LYS 24 10.436 -10.542 12.040 834 HA LYS 24 HA LYS 24 11.639 -12.557 10.324 835 1HB LYS 24 1HB LYS 24 10.917 -10.128 9.792 836 2HB LYS 24 2HB LYS 24 12.482 -9.651 10.444 837 1HG LYS 24 1HG LYS 24 11.951 -11.613 8.158 838 2HG LYS 24 2HG LYS 24 12.449 -9.921 7.987 839 1HD LYS 24 1HD LYS 24 14.574 -10.461 9.228 840 2HD LYS 24 2HD LYS 24 14.134 -12.176 9.178 841 1HE LYS 24 1HE LYS 24 14.513 -10.387 6.734 842 2HE LYS 24 2HE LYS 24 15.693 -11.548 7.362 843 1HZ LYS 24 1HZ LYS 24 14.106 -13.291 6.981 844 2HZ LYS 24 2HZ LYS 24 13.015 -12.221 6.364 845 3HZ LYS 24 3HZ LYS 24 14.442 -12.487 5.582 846 H VAL 25 H VAL 25 12.402 -13.686 12.374 847 HA VAL 25 HA VAL 25 14.744 -12.795 13.751 848 HB VAL 25 HB VAL 25 14.998 -15.140 14.437 849 1HG1 VAL 25 1HG1 VAL 25 13.406 -13.639 15.603 850 2HG1 VAL 25 2HG1 VAL 25 12.097 -14.211 14.550 851 3HG1 VAL 25 3HG1 VAL 25 12.902 -15.338 15.656 852 1HG2 VAL 25 1HG2 VAL 25 12.654 -15.754 12.576 853 2HG2 VAL 25 2HG2 VAL 25 14.329 -16.300 12.351 854 3HG2 VAL 25 3HG2 VAL 25 13.394 -16.860 13.744 Start of MODEL 21 1 1H GLU 1 1H GLU 1 5.468 10.363 16.600 2 2H GLU 1 2H GLU 1 5.402 8.811 16.047 3 3H GLU 1 3H GLU 1 4.581 9.240 17.407 4 HA GLU 1 HA GLU 1 3.122 9.002 15.488 5 1HB GLU 1 1HB GLU 1 3.366 11.513 17.075 6 2HB GLU 1 2HB GLU 1 2.237 11.503 15.719 7 1HG GLU 1 1HG GLU 1 1.189 10.814 17.899 8 2HG GLU 1 2HG GLU 1 0.989 9.659 16.576 9 H ASN 2 H ASN 2 4.058 8.544 13.571 10 HA ASN 2 HA ASN 2 5.503 10.468 11.977 11 1HB ASN 2 1HB ASN 2 5.741 7.939 12.009 12 2HB ASN 2 2HB ASN 2 4.270 7.846 11.038 13 1HD2 ASN 2 1HD2 ASN 2 4.426 9.447 8.990 14 2HD2 ASN 2 2HD2 ASN 2 5.990 9.377 8.159 15 H ARG 3 H ARG 3 3.513 11.988 12.464 16 HA ARG 3 HA ARG 3 1.993 13.407 11.623 17 1HB ARG 3 1HB ARG 3 2.665 12.190 8.919 18 2HB ARG 3 2HB ARG 3 1.773 13.688 9.220 19 1HG ARG 3 1HG ARG 3 3.738 14.691 10.302 20 2HG ARG 3 2HG ARG 3 4.648 13.184 10.096 21 1HD ARG 3 1HD ARG 3 5.292 14.737 8.367 22 2HD ARG 3 2HD ARG 3 4.452 13.387 7.622 23 HE ARG 3 HE ARG 3 3.557 16.204 7.901 24 1HH1 ARG 3 1HH1 ARG 3 2.529 12.946 6.873 25 2HH1 ARG 3 2HH1 ARG 3 1.278 13.633 5.829 26 1HH2 ARG 3 1HH2 ARG 3 1.901 16.925 6.499 27 2HH2 ARG 3 2HH2 ARG 3 0.957 15.710 5.630 28 H GLU 4 H GLU 4 1.340 10.427 9.702 29 HA GLU 4 HA GLU 4 -1.566 10.698 10.278 30 1HB GLU 4 1HB GLU 4 -0.130 11.000 7.623 31 2HB GLU 4 2HB GLU 4 -1.829 10.529 7.697 32 1HG GLU 4 1HG GLU 4 -0.788 13.121 8.930 33 2HG GLU 4 2HG GLU 4 -1.410 12.979 7.291 34 H VAL 5 H VAL 5 -2.853 9.019 9.458 35 HA VAL 5 HA VAL 5 -1.667 6.610 8.317 36 HB VAL 5 HB VAL 5 -3.344 6.462 10.865 37 1HG1 VAL 5 1HG1 VAL 5 -3.855 4.612 9.324 38 2HG1 VAL 5 2HG1 VAL 5 -2.119 4.285 9.111 39 3HG1 VAL 5 3HG1 VAL 5 -2.895 4.022 10.683 40 1HG2 VAL 5 1HG2 VAL 5 -1.339 5.322 11.800 41 2HG2 VAL 5 2HG2 VAL 5 -0.405 5.846 10.389 42 3HG2 VAL 5 3HG2 VAL 5 -1.095 7.048 11.509 43 HA PRO 6 HA PRO 6 -5.591 7.725 6.377 44 1HB PRO 6 1HB PRO 6 -5.550 6.128 4.153 45 2HB PRO 6 2HB PRO 6 -4.408 7.477 4.364 46 1HG PRO 6 1HG PRO 6 -3.914 4.556 4.978 47 2HG PRO 6 2HG PRO 6 -2.891 5.666 4.024 48 1HD PRO 6 1HD PRO 6 -2.417 5.158 6.667 49 2HD PRO 6 2HD PRO 6 -2.141 6.780 5.968 50 HA PRO 7 HA PRO 7 -8.450 4.519 7.842 51 1HB PRO 7 1HB PRO 7 -10.642 4.930 6.246 52 2HB PRO 7 2HB PRO 7 -10.174 6.034 7.569 53 1HG PRO 7 1HG PRO 7 -9.531 6.332 4.623 54 2HG PRO 7 2HG PRO 7 -10.228 7.555 5.723 55 1HD PRO 7 1HD PRO 7 -7.583 7.528 5.183 56 2HD PRO 7 2HD PRO 7 -8.156 7.857 6.844 57 H GLY 8 H GLY 8 -7.700 4.910 4.410 58 1HA GLY 8 1HA GLY 8 -8.177 2.424 3.283 59 2HA GLY 8 2HA GLY 8 -6.750 3.420 2.963 60 H PHE 9 H PHE 9 -5.608 3.232 5.702 61 HA PHE 9 HA PHE 9 -4.201 0.711 5.406 62 1HB PHE 9 1HB PHE 9 -3.030 2.558 6.392 63 2HB PHE 9 2HB PHE 9 -4.277 2.782 7.617 64 HD1 PHE 9 1HD PHE 9 -2.146 -0.067 6.390 65 HD2 PHE 9 2HD PHE 9 -3.855 1.983 9.765 66 HE1 PHE 9 1HE PHE 9 -0.897 -1.565 7.934 67 HE2 PHE 9 2HE PHE 9 -2.603 0.503 11.301 68 HZ PHE 9 HZ PHE 9 -1.131 -1.280 10.396 69 H THR 10 H THR 10 -6.671 1.901 7.766 70 HA THR 10 HA THR 10 -6.976 -0.506 9.207 71 HB THR 10 HB THR 10 -9.172 1.514 8.560 72 HG1 THR 10 1HG THR 10 -7.153 1.598 10.547 73 1HG2 THR 10 1HG2 THR 10 -9.930 0.955 10.845 74 2HG2 THR 10 2HG2 THR 10 -9.930 -0.489 9.815 75 3HG2 THR 10 3HG2 THR 10 -8.630 -0.243 11.002 76 H ALA 11 H ALA 11 -8.735 0.673 6.308 77 HA ALA 11 HA ALA 11 -10.406 -1.599 5.948 78 1HB ALA 11 1HB ALA 11 -10.820 -0.705 3.762 79 2HB ALA 11 2HB ALA 11 -10.654 0.655 4.878 80 3HB ALA 11 3HB ALA 11 -9.313 0.242 3.786 81 H LEU 12 H LEU 12 -7.143 -0.910 4.575 82 HA LEU 12 HA LEU 12 -6.797 -3.334 3.169 83 1HB LEU 12 1HB LEU 12 -5.332 -1.423 2.937 84 2HB LEU 12 2HB LEU 12 -4.669 -1.657 4.552 85 HG LEU 12 HG LEU 12 -4.598 -3.946 2.553 86 1HD1 LEU 12 1HD1 LEU 12 -2.390 -3.132 1.760 87 2HD1 LEU 12 2HD1 LEU 12 -3.725 -2.074 1.286 88 3HD1 LEU 12 3HD1 LEU 12 -2.659 -1.614 2.635 89 1HD2 LEU 12 1HD2 LEU 12 -2.724 -3.046 4.797 90 2HD2 LEU 12 2HD2 LEU 12 -3.769 -4.476 4.838 91 3HD2 LEU 12 3HD2 LEU 12 -2.431 -4.420 3.707 92 H ILE 13 H ILE 13 -5.854 -2.599 6.599 93 HA ILE 13 HA ILE 13 -4.936 -5.187 7.233 94 HB ILE 13 HB ILE 13 -6.199 -3.008 8.911 95 1HG1 ILE 13 1HG1 ILE 13 -3.933 -2.614 7.874 96 2HG1 ILE 13 2HG1 ILE 13 -4.013 -2.482 9.629 97 1HG2 ILE 13 1HG2 ILE 13 -5.089 -5.658 9.891 98 2HG2 ILE 13 2HG2 ILE 13 -5.274 -4.216 10.915 99 3HG2 ILE 13 3HG2 ILE 13 -6.695 -4.965 10.187 100 1HD1 ILE 13 1HD1 ILE 13 -2.923 -4.900 8.114 101 2HD1 ILE 13 2HD1 ILE 13 -1.971 -3.631 8.890 102 3HD1 ILE 13 3HD1 ILE 13 -2.965 -4.700 9.881 103 H LYS 14 H LYS 14 -8.297 -3.937 7.609 104 HA LYS 14 HA LYS 14 -9.383 -6.396 8.576 105 1HB LYS 14 1HB LYS 14 -10.652 -4.150 6.967 106 2HB LYS 14 2HB LYS 14 -11.571 -5.448 7.738 107 1HG LYS 14 1HG LYS 14 -9.729 -3.578 9.298 108 2HG LYS 14 2HG LYS 14 -11.433 -3.243 8.987 109 1HD LYS 14 1HD LYS 14 -12.101 -5.292 10.180 110 2HD LYS 14 2HD LYS 14 -10.408 -5.745 10.417 111 1HE LYS 14 1HE LYS 14 -11.245 -4.765 12.464 112 2HE LYS 14 2HE LYS 14 -10.023 -3.695 11.761 113 1HZ LYS 14 1HZ LYS 14 -12.937 -3.361 11.515 114 2HZ LYS 14 2HZ LYS 14 -11.956 -2.507 12.527 115 3HZ LYS 14 3HZ LYS 14 -11.797 -2.346 10.896 116 H THR 15 H THR 15 -9.160 -5.216 5.186 117 HA THR 15 HA THR 15 -10.281 -7.676 4.133 118 HB THR 15 HB THR 15 -9.516 -6.867 1.923 119 HG1 THR 15 1HG THR 15 -8.680 -4.618 3.457 120 1HG2 THR 15 1HG2 THR 15 -11.081 -4.863 3.594 121 2HG2 THR 15 2HG2 THR 15 -11.124 -5.058 1.827 122 3HG2 THR 15 3HG2 THR 15 -11.738 -6.345 2.868 123 H LEU 16 H LEU 16 -6.972 -6.763 4.897 124 HA LEU 16 HA LEU 16 -5.642 -8.979 3.653 125 1HB LEU 16 1HB LEU 16 -4.565 -6.893 4.504 126 2HB LEU 16 2HB LEU 16 -4.826 -7.425 6.155 127 HG LEU 16 HG LEU 16 -3.283 -9.117 4.144 128 1HD1 LEU 16 1HD1 LEU 16 -2.197 -6.909 5.939 129 2HD1 LEU 16 2HD1 LEU 16 -1.219 -8.051 4.992 130 3HD1 LEU 16 3HD1 LEU 16 -2.256 -6.885 4.164 131 1HD2 LEU 16 1HD2 LEU 16 -2.096 -9.879 6.228 132 2HD2 LEU 16 2HD2 LEU 16 -3.230 -8.923 7.197 133 3HD2 LEU 16 3HD2 LEU 16 -3.798 -10.310 6.245 134 H ARG 17 H ARG 17 -6.736 -8.443 7.022 135 HA ARG 17 HA ARG 17 -6.417 -11.027 8.075 136 1HB ARG 17 1HB ARG 17 -7.075 -9.076 9.387 137 2HB ARG 17 2HB ARG 17 -8.581 -8.946 8.492 138 1HG ARG 17 1HG ARG 17 -9.158 -11.318 9.421 139 2HG ARG 17 2HG ARG 17 -7.762 -11.092 10.485 140 1HD ARG 17 1HD ARG 17 -9.802 -10.416 11.625 141 2HD ARG 17 2HD ARG 17 -8.832 -8.958 11.307 142 HE ARG 17 HE ARG 17 -10.555 -9.309 9.100 143 1HH1 ARG 17 1HH1 ARG 17 -10.919 -8.627 12.528 144 2HH1 ARG 17 2HH1 ARG 17 -12.453 -7.808 12.334 145 1HH2 ARG 17 1HH2 ARG 17 -12.491 -8.251 8.838 146 2HH2 ARG 17 2HH2 ARG 17 -13.363 -7.609 10.211 147 H LYS 18 H LYS 18 -9.359 -9.737 6.368 148 HA LYS 18 HA LYS 18 -10.733 -12.174 6.383 149 1HB LYS 18 1HB LYS 18 -11.647 -9.893 5.841 150 2HB LYS 18 2HB LYS 18 -10.924 -10.025 4.236 151 1HG LYS 18 1HG LYS 18 -13.298 -10.572 4.185 152 2HG LYS 18 2HG LYS 18 -12.353 -11.995 3.740 153 1HD LYS 18 1HD LYS 18 -12.746 -13.054 5.860 154 2HD LYS 18 2HD LYS 18 -13.249 -11.530 6.617 155 1HE LYS 18 1HE LYS 18 -15.181 -12.961 6.238 156 2HE LYS 18 2HE LYS 18 -15.307 -11.507 5.232 157 1HZ LYS 18 1HZ LYS 18 -14.300 -14.106 4.291 158 2HZ LYS 18 2HZ LYS 18 -15.846 -13.563 4.075 159 3HZ LYS 18 3HZ LYS 18 -14.586 -12.773 3.369 160 H CYS 19 H CYS 19 -8.728 -10.904 3.663 161 HA CYS 19 HA CYS 19 -9.064 -13.145 1.953 162 1HB CYS 19 1HB CYS 19 -8.244 -10.933 1.221 163 2HB CYS 19 2HB CYS 19 -6.750 -11.177 2.124 164 H LYS 20 H LYS 20 -6.390 -12.400 4.207 165 HA LYS 20 HA LYS 20 -4.935 -14.809 3.438 166 1HB LYS 20 1HB LYS 20 -3.997 -12.503 3.781 167 2HB LYS 20 2HB LYS 20 -4.221 -12.723 5.525 168 1HG LYS 20 1HG LYS 20 -2.746 -14.701 5.474 169 2HG LYS 20 2HG LYS 20 -2.541 -14.544 3.725 170 1HD LYS 20 1HD LYS 20 -1.737 -12.419 5.774 171 2HD LYS 20 2HD LYS 20 -0.639 -13.637 5.114 172 1HE LYS 20 1HE LYS 20 -1.102 -12.776 2.796 173 2HE LYS 20 2HE LYS 20 -2.068 -11.468 3.502 174 1HZ LYS 20 1HZ LYS 20 -0.134 -10.755 4.689 175 2HZ LYS 20 2HZ LYS 20 0.774 -11.961 4.022 176 3HZ LYS 20 3HZ LYS 20 0.148 -10.777 3.066 177 H ILE 21 H ILE 21 -6.927 -13.807 6.194 178 HA ILE 21 HA ILE 21 -7.747 -14.890 7.946 179 HB ILE 21 HB ILE 21 -6.745 -17.480 6.715 180 1HG1 ILE 21 1HG1 ILE 21 -9.402 -15.991 6.427 181 2HG1 ILE 21 2HG1 ILE 21 -8.183 -16.169 5.160 182 1HG2 ILE 21 1HG2 ILE 21 -8.937 -16.938 8.757 183 2HG2 ILE 21 2HG2 ILE 21 -8.462 -18.521 8.107 184 3HG2 ILE 21 3HG2 ILE 21 -7.349 -17.633 9.133 185 1HD1 ILE 21 1HD1 ILE 21 -9.882 -17.753 4.710 186 2HD1 ILE 21 2HD1 ILE 21 -8.460 -18.655 5.271 187 3HD1 ILE 21 3HD1 ILE 21 -9.852 -18.400 6.354 188 H ILE 22 H ILE 22 -4.618 -16.570 7.395 189 HA ILE 22 HA ILE 22 -4.020 -16.235 10.297 190 HB ILE 22 HB ILE 22 -2.436 -17.857 10.192 191 1HG1 ILE 22 1HG1 ILE 22 -1.083 -17.347 8.305 192 2HG1 ILE 22 2HG1 ILE 22 -1.591 -19.029 8.240 193 1HG2 ILE 22 1HG2 ILE 22 -4.736 -18.679 10.114 194 2HG2 ILE 22 2HG2 ILE 22 -4.648 -18.840 8.351 195 3HG2 ILE 22 3HG2 ILE 22 -3.595 -19.820 9.385 196 1HD1 ILE 22 1HD1 ILE 22 -1.661 -18.103 6.022 197 2HD1 ILE 22 2HD1 ILE 22 -3.334 -18.393 6.525 198 3HD1 ILE 22 3HD1 ILE 22 -2.655 -16.745 6.550 199 1H ASN 1 1H ASN 1 12.771 10.052 -1.545 200 2H ASN 1 2H ASN 1 13.567 10.690 -2.839 201 3H ASN 1 3H ASN 1 12.166 9.851 -3.063 202 HA ASN 1 HA ASN 1 12.431 12.404 -1.654 203 1HB ASN 1 1HB ASN 1 12.729 12.843 -3.971 204 2HB ASN 1 2HB ASN 1 11.479 11.692 -4.440 205 1HD2 ASN 1 1HD2 ASN 1 12.053 14.987 -3.288 206 2HD2 ASN 1 2HD2 ASN 1 10.377 15.481 -3.460 207 H LEU 2 H LEU 2 10.648 13.176 -0.569 208 HA LEU 2 HA LEU 2 8.888 11.422 0.593 209 1HB LEU 2 1HB LEU 2 9.445 13.720 1.373 210 2HB LEU 2 2HB LEU 2 8.443 14.385 0.077 211 HG LEU 2 HG LEU 2 6.440 13.222 1.102 212 1HD1 LEU 2 1HD1 LEU 2 6.660 12.475 3.478 213 2HD1 LEU 2 2HD1 LEU 2 7.567 11.430 2.385 214 3HD1 LEU 2 3HD1 LEU 2 8.421 12.645 3.360 215 1HD2 LEU 2 1HD2 LEU 2 6.225 14.818 2.962 216 2HD2 LEU 2 2HD2 LEU 2 7.972 15.135 2.909 217 3HD2 LEU 2 3HD2 LEU 2 6.938 15.594 1.538 218 H VAL 3 H VAL 3 8.207 13.379 -2.346 219 HA VAL 3 HA VAL 3 5.426 12.549 -2.499 220 HB VAL 3 HB VAL 3 7.157 13.952 -4.568 221 1HG1 VAL 3 1HG1 VAL 3 5.151 12.939 -5.576 222 2HG1 VAL 3 2HG1 VAL 3 4.133 13.648 -4.304 223 3HG1 VAL 3 3HG1 VAL 3 4.965 14.692 -5.472 224 1HG2 VAL 3 1HG2 VAL 3 7.021 15.287 -2.493 225 2HG2 VAL 3 2HG2 VAL 3 6.009 16.003 -3.749 226 3HG2 VAL 3 3HG2 VAL 3 5.260 15.057 -2.446 227 H SER 4 H SER 4 8.466 11.661 -4.180 228 HA SER 4 HA SER 4 7.350 9.694 -5.911 229 1HB SER 4 1HB SER 4 9.509 8.820 -6.225 230 2HB SER 4 2HB SER 4 9.695 10.566 -6.019 231 HG SER 4 HG SER 4 10.071 9.877 -3.666 232 H GLY 5 H GLY 5 8.397 9.433 -2.507 233 1HA GLY 5 1HA GLY 5 7.646 6.704 -2.071 234 2HA GLY 5 2HA GLY 5 7.744 7.980 -0.857 235 H LEU 6 H LEU 6 5.802 9.769 -1.546 236 HA LEU 6 HA LEU 6 3.434 8.820 -0.539 237 1HB LEU 6 1HB LEU 6 4.164 11.208 -0.985 238 2HB LEU 6 2HB LEU 6 3.584 11.019 -2.636 239 HG LEU 6 HG LEU 6 1.966 10.993 -0.081 240 1HD1 LEU 6 1HD1 LEU 6 2.722 13.194 -0.996 241 2HD1 LEU 6 2HD1 LEU 6 1.972 12.793 -2.551 242 3HD1 LEU 6 3HD1 LEU 6 0.962 13.015 -1.114 243 1HD2 LEU 6 1HD2 LEU 6 0.799 9.395 -1.439 244 2HD2 LEU 6 2HD2 LEU 6 -0.060 10.920 -1.563 245 3HD2 LEU 6 3HD2 LEU 6 0.983 10.408 -2.901 246 H ILE 7 H ILE 7 3.846 9.442 -4.106 247 HA ILE 7 HA ILE 7 1.291 8.234 -4.554 248 HB ILE 7 HB ILE 7 1.442 8.532 -6.785 249 1HG1 ILE 7 1HG1 ILE 7 3.541 7.444 -7.369 250 2HG1 ILE 7 2HG1 ILE 7 3.289 8.980 -8.185 251 1HG2 ILE 7 1HG2 ILE 7 1.273 10.585 -5.505 252 2HG2 ILE 7 2HG2 ILE 7 3.031 10.808 -5.544 253 3HG2 ILE 7 3HG2 ILE 7 2.096 10.862 -7.049 254 1HD1 ILE 7 1HD1 ILE 7 5.063 8.626 -5.756 255 2HD1 ILE 7 2HD1 ILE 7 5.626 8.654 -7.435 256 3HD1 ILE 7 3HD1 ILE 7 4.890 10.103 -6.731 257 H GLU 8 H GLU 8 4.551 6.805 -4.754 258 HA GLU 8 HA GLU 8 3.722 4.296 -5.811 259 1HB GLU 8 1HB GLU 8 6.057 5.056 -5.727 260 2HB GLU 8 2HB GLU 8 6.042 5.006 -3.962 261 1HG GLU 8 1HG GLU 8 7.137 3.007 -4.970 262 2HG GLU 8 2HG GLU 8 5.746 2.568 -3.977 263 H ALA 9 H ALA 9 4.189 5.305 -2.391 264 HA ALA 9 HA ALA 9 3.266 2.940 -1.144 265 1HB ALA 9 1HB ALA 9 4.478 4.715 0.025 266 2HB ALA 9 2HB ALA 9 3.114 5.829 -0.201 267 3HB ALA 9 3HB ALA 9 2.929 4.388 0.823 268 H ARG 10 H ARG 10 1.441 5.820 -2.268 269 HA ARG 10 HA ARG 10 -1.097 4.945 -1.316 270 1HB ARG 10 1HB ARG 10 -0.432 7.281 -2.046 271 2HB ARG 10 2HB ARG 10 -0.637 6.736 -3.723 272 1HG ARG 10 1HG ARG 10 -2.998 5.985 -3.047 273 2HG ARG 10 2HG ARG 10 -2.712 6.752 -1.479 274 1HD ARG 10 1HD ARG 10 -2.262 8.917 -2.668 275 2HD ARG 10 2HD ARG 10 -2.737 8.160 -4.194 276 HE ARG 10 HE ARG 10 -4.429 9.093 -2.029 277 1HH1 ARG 10 1HH1 ARG 10 -4.334 6.661 -4.567 278 2HH1 ARG 10 2HH1 ARG 10 -6.040 6.292 -4.481 279 1HH2 ARG 10 1HH2 ARG 10 -6.629 8.781 -2.024 280 2HH2 ARG 10 2HH2 ARG 10 -7.378 7.599 -3.085 281 H LYS 11 H LYS 11 0.392 4.584 -4.603 282 HA LYS 11 HA LYS 11 -1.732 3.079 -5.783 283 1HB LYS 11 1HB LYS 11 1.263 3.153 -6.241 284 2HB LYS 11 2HB LYS 11 0.175 2.145 -7.219 285 1HG LYS 11 1HG LYS 11 -1.151 4.178 -7.805 286 2HG LYS 11 2HG LYS 11 0.037 5.178 -6.971 287 1HD LYS 11 1HD LYS 11 0.538 3.397 -9.417 288 2HD LYS 11 2HD LYS 11 0.406 5.156 -9.387 289 1HE LYS 11 1HE LYS 11 2.702 4.919 -9.427 290 2HE LYS 11 2HE LYS 11 2.418 5.050 -7.688 291 1HZ LYS 11 1HZ LYS 11 2.810 2.581 -9.251 292 2HZ LYS 11 2HZ LYS 11 3.893 3.249 -8.203 293 3HZ LYS 11 3HZ LYS 11 2.488 2.607 -7.640 294 H TYR 12 H TYR 12 1.209 1.948 -4.091 295 HA TYR 12 HA TYR 12 0.755 -0.818 -4.038 296 1HB TYR 12 1HB TYR 12 2.800 0.334 -3.428 297 2HB TYR 12 2HB TYR 12 2.029 1.081 -2.049 298 HD1 TYR 12 1HD TYR 12 3.797 -1.857 -3.260 299 HD2 TYR 12 2HD TYR 12 1.446 -0.263 -0.036 300 HE1 TYR 12 1HE TYR 12 5.161 -3.133 -1.625 301 HE2 TYR 12 2HE TYR 12 2.815 -1.514 1.596 302 HH TYR 12 HH TYR 12 5.004 -2.476 1.858 303 H LEU 13 H LEU 13 -0.188 1.518 -1.453 304 HA LEU 13 HA LEU 13 -1.774 -0.111 0.169 305 1HB LEU 13 1HB LEU 13 -1.154 2.159 0.765 306 2HB LEU 13 2HB LEU 13 -2.004 2.816 -0.619 307 HG LEU 13 HG LEU 13 -4.176 2.239 0.355 308 1HD1 LEU 13 1HD1 LEU 13 -3.624 0.248 1.646 309 2HD1 LEU 13 2HD1 LEU 13 -2.523 1.177 2.695 310 3HD1 LEU 13 3HD1 LEU 13 -4.269 1.477 2.730 311 1HD2 LEU 13 1HD2 LEU 13 -3.116 4.417 0.846 312 2HD2 LEU 13 2HD2 LEU 13 -4.104 3.852 2.205 313 3HD2 LEU 13 3HD2 LEU 13 -2.334 3.716 2.280 314 H GLU 14 H GLU 14 -2.989 1.930 -2.511 315 HA GLU 14 HA GLU 14 -5.670 1.100 -2.327 316 1HB GLU 14 1HB GLU 14 -4.735 3.136 -3.436 317 2HB GLU 14 2HB GLU 14 -4.182 2.129 -4.781 318 1HG GLU 14 1HG GLU 14 -6.555 1.476 -5.228 319 2HG GLU 14 2HG GLU 14 -7.083 2.440 -3.840 320 H GLN 15 H GLN 15 -3.113 -0.106 -4.568 321 HA GLN 15 HA GLN 15 -4.771 -2.007 -5.864 322 1HB GLN 15 1HB GLN 15 -2.681 -1.161 -6.816 323 2HB GLN 15 2HB GLN 15 -1.747 -1.936 -5.528 324 1HG GLN 15 1HG GLN 15 -1.678 -3.215 -7.641 325 2HG GLN 15 2HG GLN 15 -2.390 -4.169 -6.342 326 1HE2 GLN 15 1HE2 GLN 15 -4.750 -4.525 -6.367 327 2HE2 GLN 15 2HE2 GLN 15 -5.607 -4.342 -7.898 328 H LEU 16 H LEU 16 -2.529 -2.405 -3.056 329 HA LEU 16 HA LEU 16 -3.020 -5.200 -2.674 330 1HB LEU 16 1HB LEU 16 -2.311 -2.960 -0.753 331 2HB LEU 16 2HB LEU 16 -2.424 -4.649 -0.249 332 HG LEU 16 HG LEU 16 -0.551 -3.739 -2.475 333 1HD1 LEU 16 1HD1 LEU 16 1.214 -3.793 -0.748 334 2HD1 LEU 16 2HD1 LEU 16 -0.016 -2.576 -0.356 335 3HD1 LEU 16 3HD1 LEU 16 -0.013 -4.130 0.498 336 1HD2 LEU 16 1HD2 LEU 16 -0.667 -6.259 -0.751 337 2HD2 LEU 16 2HD2 LEU 16 -1.022 -6.165 -2.489 338 3HD2 LEU 16 3HD2 LEU 16 0.617 -5.862 -1.909 339 H HIS 17 H HIS 17 -4.630 -2.367 -1.080 340 HA HIS 17 HA HIS 17 -6.534 -3.878 0.330 341 1HB HIS 17 1HB HIS 17 -6.122 -1.504 0.722 342 2HB HIS 17 2HB HIS 17 -6.793 -1.102 -0.861 343 HD1 HIS 17 1HD HIS 17 -8.574 -3.639 1.487 344 HD2 HIS 17 2HD HIS 17 -8.854 0.306 0.000 345 HE1 HIS 17 1HE HIS 17 -10.885 -2.770 2.101 346 H ARG 18 H ARG 18 -6.838 -2.522 -3.003 347 HA ARG 18 HA ARG 18 -9.399 -3.531 -3.641 348 1HB ARG 18 1HB ARG 18 -6.911 -3.009 -5.284 349 2HB ARG 18 2HB ARG 18 -8.377 -3.663 -6.018 350 1HG ARG 18 1HG ARG 18 -9.673 -1.745 -5.486 351 2HG ARG 18 2HG ARG 18 -8.453 -1.114 -4.366 352 1HD ARG 18 1HD ARG 18 -8.453 0.065 -6.591 353 2HD ARG 18 2HD ARG 18 -6.913 -0.673 -6.120 354 HE ARG 18 HE ARG 18 -8.792 -2.171 -7.890 355 1HH1 ARG 18 1HH1 ARG 18 -5.716 -0.401 -7.743 356 2HH1 ARG 18 2HH1 ARG 18 -4.944 -1.503 -8.875 357 1HH2 ARG 18 1HH2 ARG 18 -7.802 -3.361 -9.540 358 2HH2 ARG 18 2HH2 ARG 18 -6.139 -3.018 -9.982 359 H LYS 19 H LYS 19 -6.220 -5.209 -4.189 360 HA LYS 19 HA LYS 19 -7.364 -7.594 -5.225 361 1HB LYS 19 1HB LYS 19 -4.972 -6.823 -5.299 362 2HB LYS 19 2HB LYS 19 -4.774 -7.364 -3.635 363 1HG LYS 19 1HG LYS 19 -5.574 -9.117 -6.020 364 2HG LYS 19 2HG LYS 19 -3.943 -8.938 -5.369 365 1HD LYS 19 1HD LYS 19 -4.829 -9.810 -3.136 366 2HD LYS 19 2HD LYS 19 -6.323 -10.251 -3.996 367 1HE LYS 19 1HE LYS 19 -5.033 -11.641 -5.569 368 2HE LYS 19 2HE LYS 19 -3.539 -11.251 -4.696 369 1HZ LYS 19 1HZ LYS 19 -4.479 -13.333 -3.994 370 2HZ LYS 19 2HZ LYS 19 -4.484 -12.254 -2.748 371 3HZ LYS 19 3HZ LYS 19 -5.884 -12.600 -3.543 372 H LEU 20 H LEU 20 -6.276 -6.892 -1.895 373 HA LEU 20 HA LEU 20 -7.100 -9.231 -0.558 374 1HB LEU 20 1HB LEU 20 -6.718 -6.350 0.220 375 2HB LEU 20 2HB LEU 20 -7.342 -7.508 1.382 376 HG LEU 20 HG LEU 20 -5.444 -8.786 1.471 377 1HD1 LEU 20 1HD1 LEU 20 -4.258 -7.498 -1.011 378 2HD1 LEU 20 2HD1 LEU 20 -3.451 -8.628 0.079 379 3HD1 LEU 20 3HD1 LEU 20 -4.845 -9.168 -0.851 380 1HD2 LEU 20 1HD2 LEU 20 -3.715 -7.186 2.093 381 2HD2 LEU 20 2HD2 LEU 20 -4.389 -5.964 0.994 382 3HD2 LEU 20 3HD2 LEU 20 -5.300 -6.447 2.432 383 H LYS 21 H LYS 21 -9.044 -6.245 -1.127 384 HA LYS 21 HA LYS 21 -11.449 -7.225 0.043 385 1HB LYS 21 1HB LYS 21 -10.949 -4.860 -0.538 386 2HB LYS 21 2HB LYS 21 -11.100 -5.254 -2.255 387 1HG LYS 21 1HG LYS 21 -13.468 -5.912 -1.903 388 2HG LYS 21 2HG LYS 21 -13.300 -5.595 -0.164 389 1HD LYS 21 1HD LYS 21 -12.753 -3.211 -0.657 390 2HD LYS 21 2HD LYS 21 -12.920 -3.535 -2.393 391 1HE LYS 21 1HE LYS 21 -15.297 -4.189 -2.045 392 2HE LYS 21 2HE LYS 21 -15.131 -3.873 -0.308 393 1HZ LYS 21 1HZ LYS 21 -14.638 -1.593 -0.835 394 2HZ LYS 21 2HZ LYS 21 -14.794 -1.888 -2.448 395 3HZ LYS 21 3HZ LYS 21 -16.103 -2.025 -1.455 396 H ASN 22 H ASN 22 -10.302 -7.346 -3.357 397 HA ASN 22 HA ASN 22 -12.586 -8.704 -4.414 398 1HB ASN 22 1HB ASN 22 -9.756 -8.287 -5.403 399 2HB ASN 22 2HB ASN 22 -10.853 -9.387 -6.240 400 1HD2 ASN 22 1HD2 ASN 22 -10.650 -5.980 -5.098 401 2HD2 ASN 22 2HD2 ASN 22 -11.728 -5.385 -6.369 402 H CYS 23 H CYS 23 -9.821 -10.050 -2.637 403 HA CYS 23 HA CYS 23 -10.213 -12.785 -3.241 404 1HB CYS 23 1HB CYS 23 -9.869 -11.754 -0.413 405 2HB CYS 23 2HB CYS 23 -9.456 -13.341 -1.054 406 H LYS 24 H LYS 24 -12.245 -10.616 -1.337 407 HA LYS 24 HA LYS 24 -14.073 -10.738 -0.174 408 1HB LYS 24 1HB LYS 24 -16.023 -11.819 -1.134 409 2HB LYS 24 2HB LYS 24 -15.097 -10.810 -2.246 410 1HG LYS 24 1HG LYS 24 -14.193 -12.745 -3.386 411 2HG LYS 24 2HG LYS 24 -14.942 -13.852 -2.212 412 1HD LYS 24 1HD LYS 24 -17.189 -13.057 -2.909 413 2HD LYS 24 2HD LYS 24 -16.434 -11.925 -4.051 414 1HE LYS 24 1HE LYS 24 -15.387 -13.836 -5.256 415 2HE LYS 24 2HE LYS 24 -16.144 -14.969 -4.121 416 1HZ LYS 24 1HZ LYS 24 -17.401 -14.753 -6.134 417 2HZ LYS 24 2HZ LYS 24 -18.278 -14.182 -4.861 418 3HZ LYS 24 3HZ LYS 24 -17.572 -13.130 -5.914 419 H VAL 25 H VAL 25 -13.324 -14.221 -0.693 420 HA VAL 25 HA VAL 25 -14.575 -15.009 1.799 421 HB VAL 25 HB VAL 25 -13.485 -17.138 1.500 422 1HG1 VAL 25 1HG1 VAL 25 -14.505 -17.798 -0.600 423 2HG1 VAL 25 2HG1 VAL 25 -15.544 -16.614 0.211 424 3HG1 VAL 25 3HG1 VAL 25 -14.541 -16.122 -1.171 425 1HG2 VAL 25 1HG2 VAL 25 -11.267 -16.452 0.659 426 2HG2 VAL 25 2HG2 VAL 25 -12.028 -17.638 -0.407 427 3HG2 VAL 25 3HG2 VAL 25 -11.998 -15.933 -0.873 428 1H GLU 1 1H GLU 1 -4.528 15.180 -0.579 429 2H GLU 1 2H GLU 1 -5.171 15.937 0.736 430 3H GLU 1 3H GLU 1 -5.951 14.653 0.065 431 HA GLU 1 HA GLU 1 -4.890 13.978 2.065 432 1HB GLU 1 1HB GLU 1 -3.536 12.862 -0.423 433 2HB GLU 1 2HB GLU 1 -3.578 12.100 1.176 434 1HG GLU 1 1HG GLU 1 -6.093 12.039 1.047 435 2HG GLU 1 2HG GLU 1 -6.000 12.686 -0.598 436 H ASN 2 H ASN 2 -3.462 14.763 3.527 437 HA ASN 2 HA ASN 2 -1.214 16.438 2.700 438 1HB ASN 2 1HB ASN 2 -0.971 16.827 5.106 439 2HB ASN 2 2HB ASN 2 -2.621 17.109 4.549 440 1HD2 ASN 2 1HD2 ASN 2 -1.884 16.652 7.306 441 2HD2 ASN 2 2HD2 ASN 2 -2.704 15.165 7.769 442 H ARG 3 H ARG 3 -0.448 14.362 1.526 443 HA ARG 3 HA ARG 3 1.096 12.753 1.214 444 1HB ARG 3 1HB ARG 3 2.434 14.187 3.018 445 2HB ARG 3 2HB ARG 3 2.200 12.752 4.020 446 1HG ARG 3 1HG ARG 3 3.427 12.746 1.230 447 2HG ARG 3 2HG ARG 3 4.343 12.910 2.722 448 1HD ARG 3 1HD ARG 3 3.645 10.700 3.487 449 2HD ARG 3 2HD ARG 3 2.670 10.455 2.030 450 HE ARG 3 HE ARG 3 5.170 11.150 1.059 451 1HH1 ARG 3 1HH1 ARG 3 3.969 8.462 3.026 452 2HH1 ARG 3 2HH1 ARG 3 5.343 7.451 2.640 453 1HH2 ARG 3 1HH2 ARG 3 6.815 9.847 0.538 454 2HH2 ARG 3 2HH2 ARG 3 7.026 8.268 1.293 455 H GLU 4 H GLU 4 -0.075 12.514 4.534 456 HA GLU 4 HA GLU 4 -1.444 11.231 5.614 457 1HB GLU 4 1HB GLU 4 -2.788 11.914 3.594 458 2HB GLU 4 2HB GLU 4 -2.640 10.237 3.029 459 1HG GLU 4 1HG GLU 4 -3.616 9.490 5.249 460 2HG GLU 4 2HG GLU 4 -3.764 11.185 5.725 461 H VAL 5 H VAL 5 -0.377 9.118 2.915 462 HA VAL 5 HA VAL 5 -0.361 6.744 4.612 463 HB VAL 5 HB VAL 5 -0.910 6.576 2.281 464 1HG1 VAL 5 1HG1 VAL 5 0.692 6.722 0.488 465 2HG1 VAL 5 2HG1 VAL 5 0.641 8.287 1.299 466 3HG1 VAL 5 3HG1 VAL 5 1.996 7.179 1.586 467 1HG2 VAL 5 1HG2 VAL 5 0.440 4.604 1.781 468 2HG2 VAL 5 2HG2 VAL 5 1.656 5.099 2.977 469 3HG2 VAL 5 3HG2 VAL 5 0.018 4.644 3.501 470 HA PRO 6 HA PRO 6 3.821 7.868 5.965 471 1HB PRO 6 1HB PRO 6 4.082 6.306 8.156 472 2HB PRO 6 2HB PRO 6 2.894 7.642 8.104 473 1HG PRO 6 1HG PRO 6 2.363 4.703 7.577 474 2HG PRO 6 2HG PRO 6 1.480 5.800 8.674 475 1HD PRO 6 1HD PRO 6 0.658 5.279 6.096 476 2HD PRO 6 2HD PRO 6 0.387 6.851 6.903 477 HA PRO 7 HA PRO 7 6.183 4.605 3.901 478 1HB PRO 7 1HB PRO 7 8.681 4.925 4.995 479 2HB PRO 7 2HB PRO 7 7.971 6.064 3.817 480 1HG PRO 7 1HG PRO 7 7.992 6.322 6.836 481 2HG PRO 7 2HG PRO 7 8.465 7.551 5.630 482 1HD PRO 7 1HD PRO 7 6.001 7.544 6.753 483 2HD PRO 7 2HD PRO 7 6.201 7.949 5.024 484 H GLY 8 H GLY 8 6.206 4.933 7.423 485 1HA GLY 8 1HA GLY 8 6.931 2.425 8.359 486 2HA GLY 8 2HA GLY 8 5.635 3.420 9.039 487 H PHE 9 H PHE 9 3.856 3.296 6.688 488 HA PHE 9 HA PHE 9 2.556 0.733 7.217 489 1HB PHE 9 1HB PHE 9 0.975 2.313 6.696 490 2HB PHE 9 2HB PHE 9 1.989 3.148 5.539 491 HD1 PHE 9 1HD PHE 9 0.186 -0.081 5.995 492 HD2 PHE 9 2HD PHE 9 1.883 2.734 3.231 493 HE1 PHE 9 1HE PHE 9 -0.787 -1.360 4.100 494 HE2 PHE 9 2HE PHE 9 0.985 1.440 1.338 495 HZ PHE 9 HZ PHE 9 -0.286 -0.677 1.769 496 H THR 10 H THR 10 4.320 2.124 4.386 497 HA THR 10 HA THR 10 4.163 -0.105 2.717 498 HB THR 10 HB THR 10 6.552 1.773 2.940 499 HG1 THR 10 1HG THR 10 4.076 2.105 1.600 500 1HG2 THR 10 1HG2 THR 10 6.815 -0.112 1.320 501 2HG2 THR 10 2HG2 THR 10 5.280 0.350 0.552 502 3HG2 THR 10 3HG2 THR 10 6.664 1.455 0.505 503 H ALA 11 H ALA 11 6.647 0.700 5.130 504 HA ALA 11 HA ALA 11 8.220 -1.678 4.900 505 1HB ALA 11 1HB ALA 11 9.223 -0.915 6.989 506 2HB ALA 11 2HB ALA 11 9.004 0.444 5.871 507 3HB ALA 11 3HB ALA 11 7.886 0.238 7.235 508 H LEU 12 H LEU 12 5.502 -0.876 7.161 509 HA LEU 12 HA LEU 12 5.398 -3.276 8.611 510 1HB LEU 12 1HB LEU 12 4.026 -1.316 9.041 511 2HB LEU 12 2HB LEU 12 3.050 -1.616 7.610 512 HG LEU 12 HG LEU 12 3.290 -3.643 9.866 513 1HD1 LEU 12 1HD1 LEU 12 1.256 -1.412 9.497 514 2HD1 LEU 12 2HD1 LEU 12 1.182 -2.684 10.737 515 3HD1 LEU 12 3HD1 LEU 12 2.493 -1.497 10.767 516 1HD2 LEU 12 1HD2 LEU 12 0.970 -4.270 9.024 517 2HD2 LEU 12 2HD2 LEU 12 1.231 -3.193 7.641 518 3HD2 LEU 12 3HD2 LEU 12 2.238 -4.637 7.870 519 H ILE 13 H ILE 13 3.800 -2.575 5.428 520 HA ILE 13 HA ILE 13 2.879 -5.260 5.088 521 HB ILE 13 HB ILE 13 3.511 -3.120 3.068 522 1HG1 ILE 13 1HG1 ILE 13 1.727 -2.467 4.561 523 2HG1 ILE 13 2HG1 ILE 13 1.097 -2.804 2.950 524 1HG2 ILE 13 1HG2 ILE 13 3.603 -5.207 1.848 525 2HG2 ILE 13 2HG2 ILE 13 2.127 -5.797 2.636 526 3HG2 ILE 13 3HG2 ILE 13 2.063 -4.436 1.499 527 1HD1 ILE 13 1HD1 ILE 13 -0.409 -3.645 4.653 528 2HD1 ILE 13 2HD1 ILE 13 0.254 -5.014 3.749 529 3HD1 ILE 13 3HD1 ILE 13 0.842 -4.630 5.387 530 H LYS 14 H LYS 14 6.003 -3.858 3.893 531 HA LYS 14 HA LYS 14 6.896 -6.282 2.671 532 1HB LYS 14 1HB LYS 14 8.526 -4.162 4.133 533 2HB LYS 14 2HB LYS 14 9.199 -5.435 3.115 534 1HG LYS 14 1HG LYS 14 7.390 -3.175 2.175 535 2HG LYS 14 2HG LYS 14 9.130 -3.324 1.945 536 1HD LYS 14 1HD LYS 14 8.665 -5.497 0.651 537 2HD LYS 14 2HD LYS 14 6.941 -5.094 0.768 538 1HE LYS 14 1HE LYS 14 7.690 -4.328 -1.367 539 2HE LYS 14 2HE LYS 14 7.405 -2.899 -0.361 540 1HZ LYS 14 1HZ LYS 14 10.021 -4.143 -0.876 541 2HZ LYS 14 2HZ LYS 14 9.454 -2.771 -1.592 542 3HZ LYS 14 3HZ LYS 14 9.765 -2.788 0.024 543 H THR 15 H THR 15 7.421 -5.189 6.035 544 HA THR 15 HA THR 15 8.802 -7.577 6.836 545 HB THR 15 HB THR 15 8.429 -6.763 9.137 546 HG1 THR 15 1HG THR 15 7.134 -4.581 7.857 547 1HG2 THR 15 1HG2 THR 15 9.706 -4.650 8.869 548 2HG2 THR 15 2HG2 THR 15 10.368 -5.968 7.884 549 3HG2 THR 15 3HG2 THR 15 9.407 -4.681 7.128 550 H LEU 16 H LEU 16 5.349 -6.727 6.978 551 HA LEU 16 HA LEU 16 4.383 -9.063 8.287 552 1HB LEU 16 1HB LEU 16 3.135 -6.967 7.786 553 2HB LEU 16 2HB LEU 16 3.034 -7.419 6.095 554 HG LEU 16 HG LEU 16 1.927 -9.153 8.348 555 1HD1 LEU 16 1HD1 LEU 16 0.527 -6.947 6.775 556 2HD1 LEU 16 2HD1 LEU 16 -0.260 -8.072 7.903 557 3HD1 LEU 16 3HD1 LEU 16 0.921 -6.904 8.506 558 1HD2 LEU 16 1HD2 LEU 16 1.353 -8.965 5.348 559 2HD2 LEU 16 2HD2 LEU 16 2.002 -10.371 6.222 560 3HD2 LEU 16 3HD2 LEU 16 0.343 -9.856 6.500 561 H ARG 17 H ARG 17 4.735 -8.372 4.781 562 HA ARG 17 HA ARG 17 4.016 -10.869 3.747 563 1HB ARG 17 1HB ARG 17 4.333 -8.859 2.405 564 2HB ARG 17 2HB ARG 17 6.058 -8.839 2.755 565 1HG ARG 17 1HG ARG 17 5.597 -9.654 0.515 566 2HG ARG 17 2HG ARG 17 6.410 -10.899 1.467 567 1HD ARG 17 1HD ARG 17 4.441 -12.205 1.655 568 2HD ARG 17 2HD ARG 17 3.385 -10.836 1.283 569 HE ARG 17 HE ARG 17 3.721 -11.060 -0.970 570 1HH1 ARG 17 1HH1 ARG 17 5.744 -13.520 0.636 571 2HH1 ARG 17 2HH1 ARG 17 6.416 -14.061 -0.876 572 1HH2 ARG 17 1HH2 ARG 17 4.491 -11.918 -2.864 573 2HH2 ARG 17 2HH2 ARG 17 5.627 -13.246 -2.851 574 H LYS 18 H LYS 18 7.318 -9.784 4.753 575 HA LYS 18 HA LYS 18 8.580 -12.334 4.417 576 1HB LYS 18 1HB LYS 18 9.142 -10.087 6.393 577 2HB LYS 18 2HB LYS 18 10.158 -11.523 6.177 578 1HG LYS 18 1HG LYS 18 10.517 -10.947 3.807 579 2HG LYS 18 2HG LYS 18 9.529 -9.486 4.001 580 1HD LYS 18 1HD LYS 18 11.089 -8.674 5.773 581 2HD LYS 18 2HD LYS 18 12.074 -10.137 5.571 582 1HE LYS 18 1HE LYS 18 12.494 -9.518 3.192 583 2HE LYS 18 2HE LYS 18 11.521 -8.049 3.405 584 1HZ LYS 18 1HZ LYS 18 13.855 -7.617 3.644 585 2HZ LYS 18 2HZ LYS 18 13.082 -7.337 5.072 586 3HZ LYS 18 3HZ LYS 18 13.980 -8.704 4.875 587 H CYS 19 H CYS 19 7.275 -10.950 7.485 588 HA CYS 19 HA CYS 19 7.777 -13.129 9.105 589 1HB CYS 19 1HB CYS 19 7.085 -10.871 9.858 590 2HB CYS 19 2HB CYS 19 5.430 -11.220 9.335 591 H LYS 20 H LYS 20 4.798 -12.608 7.189 592 HA LYS 20 HA LYS 20 3.693 -15.228 8.075 593 1HB LYS 20 1HB LYS 20 2.536 -13.035 6.316 594 2HB LYS 20 2HB LYS 20 1.708 -14.519 6.816 595 1HG LYS 20 1HG LYS 20 2.106 -13.836 9.228 596 2HG LYS 20 2HG LYS 20 2.640 -12.255 8.617 597 1HD LYS 20 1HD LYS 20 0.449 -12.033 7.405 598 2HD LYS 20 2HD LYS 20 -0.083 -13.568 8.096 599 1HE LYS 20 1HE LYS 20 0.683 -11.097 9.725 600 2HE LYS 20 2HE LYS 20 -0.973 -11.588 9.324 601 1HZ LYS 20 1HZ LYS 20 -0.369 -12.339 11.487 602 2HZ LYS 20 2HZ LYS 20 -0.597 -13.636 10.494 603 3HZ LYS 20 3HZ LYS 20 0.929 -13.167 10.904 604 H ILE 21 H ILE 21 5.986 -14.507 5.819 605 HA ILE 21 HA ILE 21 6.755 -15.423 3.952 606 HB ILE 21 HB ILE 21 4.679 -17.637 4.154 607 1HG1 ILE 21 1HG1 ILE 21 5.804 -17.585 6.301 608 2HG1 ILE 21 2HG1 ILE 21 6.329 -18.968 5.352 609 1HG2 ILE 21 1HG2 ILE 21 5.781 -17.586 2.011 610 2HG2 ILE 21 2HG2 ILE 21 7.376 -17.458 2.771 611 3HG2 ILE 21 3HG2 ILE 21 6.415 -18.940 2.954 612 1HD1 ILE 21 1HD1 ILE 21 8.205 -17.930 6.534 613 2HD1 ILE 21 2HD1 ILE 21 8.447 -17.792 4.785 614 3HD1 ILE 21 3HD1 ILE 21 7.904 -16.385 5.729 615 H ILE 22 H ILE 22 3.221 -15.859 3.757 616 HA ILE 22 HA ILE 22 3.159 -14.733 1.001 617 HB ILE 22 HB ILE 22 0.839 -15.467 0.979 618 1HG1 ILE 22 1HG1 ILE 22 1.303 -16.693 3.740 619 2HG1 ILE 22 2HG1 ILE 22 0.403 -15.197 3.460 620 1HG2 ILE 22 1HG2 ILE 22 2.679 -17.708 1.920 621 2HG2 ILE 22 2HG2 ILE 22 1.281 -17.847 0.835 622 3HG2 ILE 22 3HG2 ILE 22 2.719 -16.973 0.304 623 1HD1 ILE 22 1HD1 ILE 22 -1.181 -16.435 1.987 624 2HD1 ILE 22 2HD1 ILE 22 -0.350 -17.950 2.419 625 3HD1 ILE 22 3HD1 ILE 22 -1.164 -16.999 3.669 626 1H ASN 1 1H ASN 1 -6.047 5.585 11.240 627 2H ASN 1 2H ASN 1 -5.559 7.033 10.626 628 3H ASN 1 3H ASN 1 -6.549 6.972 11.968 629 HA ASN 1 HA ASN 1 -7.223 6.109 9.270 630 1HB ASN 1 1HB ASN 1 -9.464 5.654 10.080 631 2HB ASN 1 2HB ASN 1 -8.265 4.691 10.943 632 1HD2 ASN 1 1HD2 ASN 1 -11.101 5.895 11.586 633 2HD2 ASN 1 2HD2 ASN 1 -10.840 6.533 13.207 634 H LEU 2 H LEU 2 -6.080 8.544 9.599 635 HA LEU 2 HA LEU 2 -6.164 10.713 9.233 636 1HB LEU 2 1HB LEU 2 -7.221 9.995 7.183 637 2HB LEU 2 2HB LEU 2 -8.826 10.081 7.923 638 HG LEU 2 HG LEU 2 -8.591 12.532 8.181 639 1HD1 LEU 2 1HD1 LEU 2 -6.177 12.822 8.419 640 2HD1 LEU 2 2HD1 LEU 2 -5.895 12.117 6.810 641 3HD1 LEU 2 3HD1 LEU 2 -6.707 13.685 6.975 642 1HD2 LEU 2 1HD2 LEU 2 -8.739 13.080 5.791 643 2HD2 LEU 2 2HD2 LEU 2 -7.987 11.528 5.369 644 3HD2 LEU 2 3HD2 LEU 2 -9.588 11.565 6.139 645 H VAL 3 H VAL 3 -9.535 10.041 10.188 646 HA VAL 3 HA VAL 3 -9.501 12.389 12.051 647 HB VAL 3 HB VAL 3 -11.930 12.152 12.099 648 1HG1 VAL 3 1HG1 VAL 3 -12.423 12.919 9.856 649 2HG1 VAL 3 2HG1 VAL 3 -10.861 13.578 10.373 650 3HG1 VAL 3 3HG1 VAL 3 -10.920 12.221 9.228 651 1HG2 VAL 3 1HG2 VAL 3 -13.134 10.634 10.611 652 2HG2 VAL 3 2HG2 VAL 3 -11.619 9.917 10.041 653 3HG2 VAL 3 3HG2 VAL 3 -12.132 9.696 11.726 654 H SER 4 H SER 4 -10.939 11.873 14.070 655 HA SER 4 HA SER 4 -11.150 10.836 16.054 656 1HB SER 4 1HB SER 4 -12.099 8.657 16.042 657 2HB SER 4 2HB SER 4 -12.614 9.461 14.557 658 HG SER 4 HG SER 4 -10.602 8.330 13.664 659 H GLY 5 H GLY 5 -9.928 7.746 15.703 660 1HA GLY 5 1HA GLY 5 -7.889 8.296 17.729 661 2HA GLY 5 2HA GLY 5 -8.364 6.724 17.077 662 H LEU 6 H LEU 6 -6.992 9.659 15.535 663 HA LEU 6 HA LEU 6 -5.463 8.286 13.650 664 1HB LEU 6 1HB LEU 6 -6.076 10.685 13.569 665 2HB LEU 6 2HB LEU 6 -4.947 11.032 14.883 666 HG LEU 6 HG LEU 6 -3.042 10.305 13.430 667 1HD1 LEU 6 1HD1 LEU 6 -3.623 10.084 10.944 668 2HD1 LEU 6 2HD1 LEU 6 -4.046 8.691 11.944 669 3HD1 LEU 6 3HD1 LEU 6 -5.300 9.851 11.444 670 1HD2 LEU 6 1HD2 LEU 6 -4.861 12.381 12.140 671 2HD2 LEU 6 2HD2 LEU 6 -3.755 12.674 13.498 672 3HD2 LEU 6 3HD2 LEU 6 -3.108 12.226 11.912 673 H ILE 7 H ILE 7 -4.228 9.766 16.674 674 HA ILE 7 HA ILE 7 -1.597 8.703 16.481 675 HB ILE 7 HB ILE 7 -1.343 9.271 18.818 676 1HG1 ILE 7 1HG1 ILE 7 -4.356 9.791 18.845 677 2HG1 ILE 7 2HG1 ILE 7 -3.488 8.532 19.740 678 1HG2 ILE 7 1HG2 ILE 7 -1.636 11.644 18.572 679 2HG2 ILE 7 2HG2 ILE 7 -1.303 10.993 16.968 680 3HG2 ILE 7 3HG2 ILE 7 -2.963 11.435 17.413 681 1HD1 ILE 7 1HD1 ILE 7 -3.971 10.309 21.257 682 2HD1 ILE 7 2HD1 ILE 7 -2.221 10.304 20.962 683 3HD1 ILE 7 3HD1 ILE 7 -3.262 11.525 20.186 684 H GLU 8 H GLU 8 -4.555 7.254 17.809 685 HA GLU 8 HA GLU 8 -3.285 4.995 19.061 686 1HB GLU 8 1HB GLU 8 -6.114 5.284 17.959 687 2HB GLU 8 2HB GLU 8 -5.531 4.012 19.036 688 1HG GLU 8 1HG GLU 8 -5.035 5.680 20.792 689 2HG GLU 8 2HG GLU 8 -5.579 6.991 19.736 690 H ALA 9 H ALA 9 -4.818 5.446 15.840 691 HA ALA 9 HA ALA 9 -4.177 2.926 14.719 692 1HB ALA 9 1HB ALA 9 -4.353 5.629 13.325 693 2HB ALA 9 2HB ALA 9 -4.484 4.029 12.568 694 3HB ALA 9 3HB ALA 9 -5.724 4.570 13.715 695 H ARG 10 H ARG 10 -2.243 5.958 14.825 696 HA ARG 10 HA ARG 10 0.034 4.902 13.476 697 1HB ARG 10 1HB ARG 10 -0.645 7.348 14.222 698 2HB ARG 10 2HB ARG 10 0.380 6.992 15.606 699 1HG ARG 10 1HG ARG 10 1.105 6.890 12.625 700 2HG ARG 10 2HG ARG 10 1.577 8.140 13.770 701 1HD ARG 10 1HD ARG 10 2.523 5.238 13.764 702 2HD ARG 10 2HD ARG 10 3.448 6.647 13.298 703 HE ARG 10 HE ARG 10 2.371 6.854 16.009 704 1HH1 ARG 10 1HH1 ARG 10 5.114 5.515 14.211 705 2HH1 ARG 10 2HH1 ARG 10 6.119 5.452 15.647 706 1HH2 ARG 10 1HH2 ARG 10 3.662 6.812 17.739 707 2HH2 ARG 10 2HH2 ARG 10 5.298 6.160 17.658 708 H LYS 11 H LYS 11 -0.578 5.005 17.054 709 HA LYS 11 HA LYS 11 1.783 3.570 17.761 710 1HB LYS 11 1HB LYS 11 -0.946 3.726 19.087 711 2HB LYS 11 2HB LYS 11 0.442 2.912 19.812 712 1HG LYS 11 1HG LYS 11 0.366 5.873 19.079 713 2HG LYS 11 2HG LYS 11 0.104 5.186 20.685 714 1HD LYS 11 1HD LYS 11 2.444 4.130 20.492 715 2HD LYS 11 2HD LYS 11 2.671 5.129 19.043 716 1HE LYS 11 1HE LYS 11 2.111 7.166 20.437 717 2HE LYS 11 2HE LYS 11 2.086 6.121 21.866 718 1HZ LYS 11 1HZ LYS 11 4.202 7.172 21.576 719 2HZ LYS 11 2HZ LYS 11 4.362 5.541 21.396 720 3HZ LYS 11 3HZ LYS 11 4.380 6.522 20.073 721 H TYR 12 H TYR 12 -1.458 2.289 16.927 722 HA TYR 12 HA TYR 12 -0.886 -0.473 17.230 723 1HB TYR 12 1HB TYR 12 -3.113 0.396 16.968 724 2HB TYR 12 2HB TYR 12 -2.738 1.074 15.398 725 HD1 TYR 12 1HD TYR 12 -3.269 -0.114 13.453 726 HD2 TYR 12 2HD TYR 12 -2.979 -2.210 17.206 727 HE1 TYR 12 1HE TYR 12 -4.364 -2.103 12.433 728 HE2 TYR 12 2HE TYR 12 -4.088 -4.181 16.187 729 HH TYR 12 HH TYR 12 -5.033 -5.053 14.315 730 H LEU 13 H LEU 13 -0.727 1.488 14.224 731 HA LEU 13 HA LEU 13 0.484 -0.346 12.485 732 1HB LEU 13 1HB LEU 13 -0.471 1.790 11.867 733 2HB LEU 13 2HB LEU 13 0.799 2.682 12.690 734 HG LEU 13 HG LEU 13 1.434 0.768 10.412 735 1HD1 LEU 13 1HD1 LEU 13 -0.277 2.298 9.577 736 2HD1 LEU 13 2HD1 LEU 13 0.608 3.690 10.243 737 3HD1 LEU 13 3HD1 LEU 13 1.300 2.747 8.912 738 1HD2 LEU 13 1HD2 LEU 13 2.829 3.246 11.546 739 2HD2 LEU 13 2HD2 LEU 13 3.451 1.581 11.576 740 3HD2 LEU 13 3HD2 LEU 13 3.306 2.429 10.048 741 H GLU 14 H GLU 14 2.132 2.025 14.614 742 HA GLU 14 HA GLU 14 4.800 1.364 14.052 743 1HB GLU 14 1HB GLU 14 4.128 3.335 15.287 744 2HB GLU 14 2HB GLU 14 3.471 2.359 16.597 745 1HG GLU 14 1HG GLU 14 5.741 1.462 17.102 746 2HG GLU 14 2HG GLU 14 6.416 2.449 15.796 747 H GLN 15 H GLN 15 2.839 0.115 16.823 748 HA GLN 15 HA GLN 15 4.870 -1.694 17.701 749 1HB GLN 15 1HB GLN 15 1.942 -1.300 18.247 750 2HB GLN 15 2HB GLN 15 2.674 -2.823 18.740 751 1HG GLN 15 1HG GLN 15 2.694 -0.988 20.504 752 2HG GLN 15 2HG GLN 15 4.207 -1.837 20.194 753 1HE2 GLN 15 1HE2 GLN 15 2.556 1.133 18.864 754 2HE2 GLN 15 2HE2 GLN 15 4.023 2.108 19.029 755 H LEU 16 H LEU 16 2.077 -2.307 15.498 756 HA LEU 16 HA LEU 16 2.702 -5.041 14.947 757 1HB LEU 16 1HB LEU 16 1.539 -2.825 13.223 758 2HB LEU 16 2HB LEU 16 1.700 -4.488 12.656 759 HG LEU 16 HG LEU 16 0.076 -3.689 15.110 760 1HD1 LEU 16 1HD1 LEU 16 -0.885 -2.713 13.082 761 2HD1 LEU 16 2HD1 LEU 16 -0.735 -4.264 12.223 762 3HD1 LEU 16 3HD1 LEU 16 -1.857 -4.110 13.583 763 1HD2 LEU 16 1HD2 LEU 16 0.767 -6.050 15.216 764 2HD2 LEU 16 2HD2 LEU 16 -0.935 -5.955 14.773 765 3HD2 LEU 16 3HD2 LEU 16 0.278 -6.294 13.523 766 H HIS 17 H HIS 17 3.836 -2.123 13.158 767 HA HIS 17 HA HIS 17 5.571 -3.425 11.402 768 1HB HIS 17 1HB HIS 17 4.887 -1.087 11.215 769 2HB HIS 17 2HB HIS 17 5.798 -0.671 12.662 770 HD1 HIS 17 1HD HIS 17 7.237 1.075 11.268 771 HD2 HIS 17 2HD HIS 17 7.542 -2.945 10.059 772 HE1 HIS 17 1HE HIS 17 9.282 0.917 9.745 773 H ARG 18 H ARG 18 6.370 -2.192 14.704 774 HA ARG 18 HA ARG 18 9.102 -3.012 14.717 775 1HB ARG 18 1HB ARG 18 7.104 -2.707 16.984 776 2HB ARG 18 2HB ARG 18 8.830 -3.035 17.211 777 1HG ARG 18 1HG ARG 18 9.402 -0.955 15.976 778 2HG ARG 18 2HG ARG 18 7.686 -0.585 15.801 779 1HD ARG 18 1HD ARG 18 7.482 -0.704 18.332 780 2HD ARG 18 2HD ARG 18 9.241 -0.782 18.425 781 HE ARG 18 HE ARG 18 7.583 1.521 18.017 782 1HH1 ARG 18 1HH1 ARG 18 10.748 0.279 17.155 783 2HH1 ARG 18 2HH1 ARG 18 11.409 1.853 16.774 784 1HH2 ARG 18 1HH2 ARG 18 8.389 3.546 17.429 785 2HH2 ARG 18 2HH2 ARG 18 10.067 3.712 16.971 786 H LYS 19 H LYS 19 6.212 -4.848 15.926 787 HA LYS 19 HA LYS 19 7.687 -7.195 16.634 788 1HB LYS 19 1HB LYS 19 4.801 -6.798 15.781 789 2HB LYS 19 2HB LYS 19 5.447 -8.335 16.386 790 1HG LYS 19 1HG LYS 19 6.158 -7.226 18.488 791 2HG LYS 19 2HG LYS 19 5.433 -5.710 17.948 792 1HD LYS 19 1HD LYS 19 3.932 -8.344 18.372 793 2HD LYS 19 2HD LYS 19 3.986 -6.993 19.515 794 1HE LYS 19 1HE LYS 19 2.956 -5.510 17.757 795 2HE LYS 19 2HE LYS 19 2.771 -6.933 16.714 796 1HZ LYS 19 1HZ LYS 19 1.581 -6.608 19.373 797 2HZ LYS 19 2HZ LYS 19 0.789 -6.483 17.932 798 3HZ LYS 19 3HZ LYS 19 1.422 -7.931 18.403 799 H LEU 20 H LEU 20 5.912 -6.478 13.609 800 HA LEU 20 HA LEU 20 6.581 -8.845 12.167 801 1HB LEU 20 1HB LEU 20 5.799 -6.022 11.422 802 2HB LEU 20 2HB LEU 20 6.204 -7.199 10.183 803 HG LEU 20 HG LEU 20 4.399 -8.541 10.539 804 1HD1 LEU 20 1HD1 LEU 20 2.827 -8.512 12.405 805 2HD1 LEU 20 2HD1 LEU 20 4.444 -8.945 12.959 806 3HD1 LEU 20 3HD1 LEU 20 3.804 -7.316 13.260 807 1HD2 LEU 20 1HD2 LEU 20 2.487 -7.055 10.393 808 2HD2 LEU 20 2HD2 LEU 20 3.327 -5.800 11.328 809 3HD2 LEU 20 3HD2 LEU 20 3.890 -6.200 9.702 810 H LYS 21 H LYS 21 8.322 -5.700 12.343 811 HA LYS 21 HA LYS 21 10.447 -6.453 10.586 812 1HB LYS 21 1HB LYS 21 9.838 -4.158 11.154 813 2HB LYS 21 2HB LYS 21 10.360 -4.423 12.836 814 1HG LYS 21 1HG LYS 21 12.656 -4.600 12.188 815 2HG LYS 21 2HG LYS 21 12.237 -4.820 10.483 816 1HD LYS 21 1HD LYS 21 13.132 -2.580 10.907 817 2HD LYS 21 2HD LYS 21 11.484 -2.503 10.281 818 1HE LYS 21 1HE LYS 21 12.042 -2.378 13.278 819 2HE LYS 21 2HE LYS 21 12.167 -0.945 12.248 820 1HZ LYS 21 1HZ LYS 21 10.015 -1.052 13.164 821 2HZ LYS 21 2HZ LYS 21 9.915 -1.313 11.537 822 3HZ LYS 21 3HZ LYS 21 9.748 -2.567 12.579 823 H ASN 22 H ASN 22 10.070 -6.806 14.145 824 HA ASN 22 HA ASN 22 12.677 -7.939 14.563 825 1HB ASN 22 1HB ASN 22 11.007 -7.049 16.290 826 2HB ASN 22 2HB ASN 22 10.190 -8.610 16.178 827 1HD2 ASN 22 1HD2 ASN 22 12.878 -10.141 15.863 828 2HD2 ASN 22 2HD2 ASN 22 13.524 -10.021 17.494 829 H CYS 23 H CYS 23 9.517 -9.397 13.744 830 HA CYS 23 HA CYS 23 10.311 -12.142 13.779 831 1HB CYS 23 1HB CYS 23 7.977 -11.440 13.846 832 2HB CYS 23 2HB CYS 23 8.138 -10.650 12.285 833 H LYS 24 H LYS 24 9.698 -10.128 10.902 834 HA LYS 24 HA LYS 24 10.216 -10.397 8.718 835 1HB LYS 24 1HB LYS 24 12.553 -9.642 8.366 836 2HB LYS 24 2HB LYS 24 11.630 -8.753 9.567 837 1HG LYS 24 1HG LYS 24 13.841 -8.978 10.380 838 2HG LYS 24 2HG LYS 24 12.793 -9.942 11.397 839 1HD LYS 24 1HD LYS 24 13.583 -12.012 10.111 840 2HD LYS 24 2HD LYS 24 14.669 -10.952 9.206 841 1HE LYS 24 1HE LYS 24 15.912 -11.976 11.003 842 2HE LYS 24 2HE LYS 24 15.678 -10.280 11.466 843 1HZ LYS 24 1HZ LYS 24 14.010 -12.537 12.359 844 2HZ LYS 24 2HZ LYS 24 15.217 -11.852 13.250 845 3HZ LYS 24 3HZ LYS 24 13.866 -10.989 12.875 846 H VAL 25 H VAL 25 10.074 -13.173 9.776 847 HA VAL 25 HA VAL 25 11.936 -14.481 7.824 848 HB VAL 25 HB VAL 25 12.654 -14.664 10.178 849 1HG1 VAL 25 1HG1 VAL 25 10.377 -14.785 11.259 850 2HG1 VAL 25 2HG1 VAL 25 10.207 -16.433 10.620 851 3HG1 VAL 25 3HG1 VAL 25 11.497 -16.054 11.770 852 1HG2 VAL 25 1HG2 VAL 25 13.270 -16.360 8.492 853 2HG2 VAL 25 2HG2 VAL 25 13.107 -17.059 10.113 854 3HG2 VAL 25 3HG2 VAL 25 11.827 -17.310 8.911 Start of MODEL 22 1 1H GLU 1 1H GLU 1 7.315 14.539 6.369 2 2H GLU 1 2H GLU 1 6.657 13.883 7.729 3 3H GLU 1 3H GLU 1 7.897 14.960 7.854 4 HA GLU 1 HA GLU 1 5.829 15.950 8.439 5 1HB GLU 1 1HB GLU 1 7.664 17.299 7.499 6 2HB GLU 1 2HB GLU 1 7.082 16.985 5.860 7 1HG GLU 1 1HG GLU 1 6.456 19.234 6.641 8 2HG GLU 1 2HG GLU 1 5.019 18.275 6.314 9 H ASN 2 H ASN 2 3.725 16.597 7.904 10 HA ASN 2 HA ASN 2 1.597 16.143 7.190 11 1HB ASN 2 1HB ASN 2 2.315 17.882 5.725 12 2HB ASN 2 2HB ASN 2 3.121 16.760 4.644 13 1HD2 ASN 2 1HD2 ASN 2 -0.244 17.072 6.062 14 2HD2 ASN 2 2HD2 ASN 2 -0.996 16.840 4.478 15 H ARG 3 H ARG 3 2.174 13.925 8.027 16 HA ARG 3 HA ARG 3 1.599 11.765 6.055 17 1HB ARG 3 1HB ARG 3 4.061 12.184 7.752 18 2HB ARG 3 2HB ARG 3 3.490 10.528 7.486 19 1HG ARG 3 1HG ARG 3 3.628 10.657 5.176 20 2HG ARG 3 2HG ARG 3 3.877 12.415 5.158 21 1HD ARG 3 1HD ARG 3 6.090 12.152 6.178 22 2HD ARG 3 2HD ARG 3 5.825 10.417 6.371 23 HE ARG 3 HE ARG 3 6.310 10.068 4.143 24 1HH1 ARG 3 1HH1 ARG 3 5.680 13.595 4.509 25 2HH1 ARG 3 2HH1 ARG 3 6.178 13.858 2.840 26 1HH2 ARG 3 1HH2 ARG 3 6.792 10.609 1.977 27 2HH2 ARG 3 2HH2 ARG 3 6.699 12.299 1.493 28 H GLU 4 H GLU 4 -0.528 11.982 7.091 29 HA GLU 4 HA GLU 4 -0.703 11.147 9.916 30 1HB GLU 4 1HB GLU 4 -3.015 11.792 8.067 31 2HB GLU 4 2HB GLU 4 -2.955 11.812 9.833 32 1HG GLU 4 1HG GLU 4 -1.611 13.763 7.899 33 2HG GLU 4 2HG GLU 4 -2.917 14.089 9.032 34 H VAL 5 H VAL 5 -3.452 9.878 8.482 35 HA VAL 5 HA VAL 5 -2.239 7.328 7.689 36 HB VAL 5 HB VAL 5 -2.412 7.115 10.085 37 1HG1 VAL 5 1HG1 VAL 5 -4.505 7.129 11.303 38 2HG1 VAL 5 2HG1 VAL 5 -4.279 8.707 10.539 39 3HG1 VAL 5 3HG1 VAL 5 -5.423 7.531 9.850 40 1HG2 VAL 5 1HG2 VAL 5 -3.690 5.048 10.200 41 2HG2 VAL 5 2HG2 VAL 5 -4.534 5.434 8.690 42 3HG2 VAL 5 3HG2 VAL 5 -2.782 5.124 8.682 43 HA PRO 6 HA PRO 6 -5.920 7.823 5.120 44 1HB PRO 6 1HB PRO 6 -5.432 5.992 3.194 45 2HB PRO 6 2HB PRO 6 -4.419 7.454 3.374 46 1HG PRO 6 1HG PRO 6 -3.838 4.673 4.442 47 2HG PRO 6 2HG PRO 6 -2.759 5.723 3.489 48 1HD PRO 6 1HD PRO 6 -2.685 5.589 6.233 49 2HD PRO 6 2HD PRO 6 -2.306 7.093 5.339 50 HA PRO 7 HA PRO 7 -8.481 4.559 6.973 51 1HB PRO 7 1HB PRO 7 -10.716 4.667 5.382 52 2HB PRO 7 2HB PRO 7 -10.314 5.911 6.600 53 1HG PRO 7 1HG PRO 7 -9.723 5.995 3.630 54 2HG PRO 7 2HG PRO 7 -10.499 7.258 4.626 55 1HD PRO 7 1HD PRO 7 -7.864 7.362 4.040 56 2HD PRO 7 2HD PRO 7 -8.432 7.820 5.674 57 H GLY 8 H GLY 8 -7.699 4.684 3.541 58 1HA GLY 8 1HA GLY 8 -8.061 2.101 2.606 59 2HA GLY 8 2HA GLY 8 -6.667 3.121 2.239 60 H PHE 9 H PHE 9 -5.622 3.196 5.035 61 HA PHE 9 HA PHE 9 -4.084 0.753 5.011 62 1HB PHE 9 1HB PHE 9 -3.128 2.750 5.965 63 2HB PHE 9 2HB PHE 9 -4.476 2.925 7.089 64 HD1 PHE 9 1HD PHE 9 -2.265 -0.010 6.210 65 HD2 PHE 9 2HD PHE 9 -3.794 2.598 9.287 66 HE1 PHE 9 1HE PHE 9 -1.029 -1.299 7.920 67 HE2 PHE 9 2HE PHE 9 -2.554 1.308 10.991 68 HZ PHE 9 HZ PHE 9 -1.193 -0.664 10.324 69 H THR 10 H THR 10 -6.716 1.915 7.226 70 HA THR 10 HA THR 10 -7.009 -0.432 8.708 71 HB THR 10 HB THR 10 -9.317 1.383 7.916 72 HG1 THR 10 1HG THR 10 -8.494 2.707 9.659 73 1HG2 THR 10 1HG2 THR 10 -9.733 -0.562 9.482 74 2HG2 THR 10 2HG2 THR 10 -8.502 0.106 10.572 75 3HG2 THR 10 3HG2 THR 10 -9.992 1.017 10.250 76 H ALA 11 H ALA 11 -8.616 0.539 5.654 77 HA ALA 11 HA ALA 11 -10.218 -1.791 5.268 78 1HB ALA 11 1HB ALA 11 -8.914 -0.071 3.130 79 2HB ALA 11 2HB ALA 11 -10.349 -1.102 2.968 80 3HB ALA 11 3HB ALA 11 -10.411 0.341 3.995 81 H LEU 12 H LEU 12 -6.868 -1.111 4.109 82 HA LEU 12 HA LEU 12 -6.362 -3.620 2.940 83 1HB LEU 12 1HB LEU 12 -4.951 -1.705 2.624 84 2HB LEU 12 2HB LEU 12 -4.389 -1.745 4.294 85 HG LEU 12 HG LEU 12 -4.091 -4.237 2.594 86 1HD1 LEU 12 1HD1 LEU 12 -3.280 -2.466 1.124 87 2HD1 LEU 12 2HD1 LEU 12 -2.278 -1.809 2.440 88 3HD1 LEU 12 3HD1 LEU 12 -1.915 -3.404 1.756 89 1HD2 LEU 12 1HD2 LEU 12 -2.343 -2.943 4.747 90 2HD2 LEU 12 2HD2 LEU 12 -3.357 -4.377 4.973 91 3HD2 LEU 12 3HD2 LEU 12 -1.975 -4.454 3.891 92 H ILE 13 H ILE 13 -5.715 -2.612 6.375 93 HA ILE 13 HA ILE 13 -4.763 -5.136 7.226 94 HB ILE 13 HB ILE 13 -6.242 -2.954 8.719 95 1HG1 ILE 13 1HG1 ILE 13 -3.994 -2.349 7.852 96 2HG1 ILE 13 2HG1 ILE 13 -4.103 -2.335 9.607 97 1HG2 ILE 13 1HG2 ILE 13 -5.028 -5.508 9.828 98 2HG2 ILE 13 2HG2 ILE 13 -5.329 -4.055 10.804 99 3HG2 ILE 13 3HG2 ILE 13 -6.678 -4.891 10.037 100 1HD1 ILE 13 1HD1 ILE 13 -2.952 -4.568 9.671 101 2HD1 ILE 13 2HD1 ILE 13 -2.765 -4.485 7.904 102 3HD1 ILE 13 3HD1 ILE 13 -1.986 -3.288 8.939 103 H LYS 14 H LYS 14 -8.199 -4.005 7.314 104 HA LYS 14 HA LYS 14 -9.212 -6.472 8.348 105 1HB LYS 14 1HB LYS 14 -10.515 -4.369 6.586 106 2HB LYS 14 2HB LYS 14 -11.377 -5.740 7.313 107 1HG LYS 14 1HG LYS 14 -10.541 -4.976 9.580 108 2HG LYS 14 2HG LYS 14 -9.962 -3.498 8.818 109 1HD LYS 14 1HD LYS 14 -12.839 -4.538 8.922 110 2HD LYS 14 2HD LYS 14 -12.190 -3.174 9.836 111 1HE LYS 14 1HE LYS 14 -12.537 -3.310 6.799 112 2HE LYS 14 2HE LYS 14 -13.527 -2.391 7.934 113 1HZ LYS 14 1HZ LYS 14 -11.880 -1.027 6.880 114 2HZ LYS 14 2HZ LYS 14 -11.618 -1.100 8.506 115 3HZ LYS 14 3HZ LYS 14 -10.659 -1.963 7.478 116 H THR 15 H THR 15 -9.024 -5.421 4.910 117 HA THR 15 HA THR 15 -10.036 -7.876 3.838 118 HB THR 15 HB THR 15 -9.015 -7.123 1.699 119 HG1 THR 15 1HG THR 15 -8.194 -4.873 3.211 120 1HG2 THR 15 1HG2 THR 15 -10.347 -5.027 1.515 121 2HG2 THR 15 2HG2 THR 15 -11.250 -6.342 2.293 122 3HG2 THR 15 3HG2 THR 15 -10.583 -5.019 3.268 123 H LEU 16 H LEU 16 -6.669 -6.840 4.394 124 HA LEU 16 HA LEU 16 -5.300 -9.140 3.550 125 1HB LEU 16 1HB LEU 16 -4.298 -6.987 4.297 126 2HB LEU 16 2HB LEU 16 -4.633 -7.394 5.970 127 HG LEU 16 HG LEU 16 -3.010 -9.275 4.213 128 1HD1 LEU 16 1HD1 LEU 16 -2.022 -7.043 3.911 129 2HD1 LEU 16 2HD1 LEU 16 -1.966 -6.813 5.674 130 3HD1 LEU 16 3HD1 LEU 16 -0.972 -8.064 4.895 131 1HD2 LEU 16 1HD2 LEU 16 -1.863 -9.753 6.381 132 2HD2 LEU 16 2HD2 LEU 16 -2.951 -8.621 7.204 133 3HD2 LEU 16 3HD2 LEU 16 -3.575 -10.119 6.490 134 H ARG 17 H ARG 17 -6.606 -8.445 6.858 135 HA ARG 17 HA ARG 17 -5.947 -10.983 7.905 136 1HB ARG 17 1HB ARG 17 -6.715 -8.900 9.193 137 2HB ARG 17 2HB ARG 17 -8.365 -9.329 8.722 138 1HG ARG 17 1HG ARG 17 -8.113 -10.319 10.860 139 2HG ARG 17 2HG ARG 17 -7.852 -11.667 9.756 140 1HD ARG 17 1HD ARG 17 -5.268 -10.853 9.996 141 2HD ARG 17 2HD ARG 17 -5.912 -10.152 11.481 142 HE ARG 17 HE ARG 17 -6.421 -13.034 10.815 143 1HH1 ARG 17 1HH1 ARG 17 -4.589 -10.812 12.882 144 2HH1 ARG 17 2HH1 ARG 17 -4.094 -12.098 13.957 145 1HH2 ARG 17 1HH2 ARG 17 -5.754 -14.574 12.094 146 2HH2 ARG 17 2HH2 ARG 17 -4.785 -14.278 13.540 147 H LYS 18 H LYS 18 -9.006 -9.947 6.304 148 HA LYS 18 HA LYS 18 -10.326 -12.447 6.488 149 1HB LYS 18 1HB LYS 18 -11.414 -10.364 5.840 150 2HB LYS 18 2HB LYS 18 -10.536 -10.339 4.300 151 1HG LYS 18 1HG LYS 18 -11.644 -12.358 3.543 152 2HG LYS 18 2HG LYS 18 -12.310 -12.656 5.160 153 1HD LYS 18 1HD LYS 18 -13.728 -10.662 5.004 154 2HD LYS 18 2HD LYS 18 -12.985 -10.212 3.460 155 1HE LYS 18 1HE LYS 18 -15.207 -11.280 3.146 156 2HE LYS 18 2HE LYS 18 -13.913 -12.201 2.370 157 1HZ LYS 18 1HZ LYS 18 -15.441 -13.590 3.574 158 2HZ LYS 18 2HZ LYS 18 -13.917 -13.708 4.179 159 3HZ LYS 18 3HZ LYS 18 -15.062 -12.838 4.993 160 H CYS 19 H CYS 19 -8.155 -11.272 3.875 161 HA CYS 19 HA CYS 19 -8.256 -13.599 2.249 162 1HB CYS 19 1HB CYS 19 -7.398 -11.427 1.513 163 2HB CYS 19 2HB CYS 19 -6.053 -11.540 2.647 164 H LYS 20 H LYS 20 -5.879 -12.705 4.767 165 HA LYS 20 HA LYS 20 -4.342 -15.144 4.363 166 1HB LYS 20 1HB LYS 20 -4.111 -12.845 6.339 167 2HB LYS 20 2HB LYS 20 -2.931 -14.135 6.220 168 1HG LYS 20 1HG LYS 20 -3.651 -12.139 4.034 169 2HG LYS 20 2HG LYS 20 -2.202 -12.123 5.031 170 1HD LYS 20 1HD LYS 20 -2.912 -14.206 2.900 171 2HD LYS 20 2HD LYS 20 -1.695 -12.943 2.821 172 1HE LYS 20 1HE LYS 20 -0.379 -14.768 3.331 173 2HE LYS 20 2HE LYS 20 -0.641 -14.081 4.939 174 1HZ LYS 20 1HZ LYS 20 -2.119 -16.322 3.719 175 2HZ LYS 20 2HZ LYS 20 -0.951 -16.455 4.871 176 3HZ LYS 20 3HZ LYS 20 -2.387 -15.740 5.232 177 H ILE 21 H ILE 21 -6.738 -14.124 6.730 178 HA ILE 21 HA ILE 21 -7.706 -15.090 8.487 179 HB ILE 21 HB ILE 21 -6.407 -17.723 7.695 180 1HG1 ILE 21 1HG1 ILE 21 -7.714 -16.863 5.802 181 2HG1 ILE 21 2HG1 ILE 21 -8.467 -18.267 6.543 182 1HG2 ILE 21 1HG2 ILE 21 -8.745 -17.071 9.519 183 2HG2 ILE 21 2HG2 ILE 21 -8.343 -18.696 8.924 184 3HG2 ILE 21 3HG2 ILE 21 -7.204 -17.825 9.957 185 1HD1 ILE 21 1HD1 ILE 21 -9.346 -15.377 6.993 186 2HD1 ILE 21 2HD1 ILE 21 -10.124 -16.557 5.935 187 3HD1 ILE 21 3HD1 ILE 21 -10.120 -16.823 7.683 188 H ILE 22 H ILE 22 -4.394 -16.387 8.295 189 HA ILE 22 HA ILE 22 -3.889 -16.049 11.163 190 HB ILE 22 HB ILE 22 -1.947 -16.542 8.876 191 1HG1 ILE 22 1HG1 ILE 22 -3.551 -18.327 8.744 192 2HG1 ILE 22 2HG1 ILE 22 -2.064 -18.937 9.450 193 1HG2 ILE 22 1HG2 ILE 22 -1.707 -16.982 11.880 194 2HG2 ILE 22 2HG2 ILE 22 -0.555 -17.594 10.675 195 3HG2 ILE 22 3HG2 ILE 22 -0.775 -15.856 10.878 196 1HD1 ILE 22 1HD1 ILE 22 -3.100 -18.825 11.725 197 2HD1 ILE 22 2HD1 ILE 22 -4.614 -18.249 10.985 198 3HD1 ILE 22 3HD1 ILE 22 -3.997 -19.863 10.606 199 1H ASN 1 1H ASN 1 4.014 14.058 2.488 200 2H ASN 1 2H ASN 1 2.808 14.830 3.293 201 3H ASN 1 3H ASN 1 4.371 15.248 3.572 202 HA ASN 1 HA ASN 1 3.365 16.892 2.183 203 1HB ASN 1 1HB ASN 1 4.944 16.900 0.331 204 2HB ASN 1 2HB ASN 1 5.739 16.348 1.808 205 1HD2 ASN 1 1HD2 ASN 1 4.379 15.260 -1.372 206 2HD2 ASN 1 2HD2 ASN 1 5.190 13.707 -1.299 207 H LEU 2 H LEU 2 2.617 17.410 -0.060 208 HA LEU 2 HA LEU 2 0.471 15.589 -0.887 209 1HB LEU 2 1HB LEU 2 1.290 18.277 -2.011 210 2HB LEU 2 2HB LEU 2 -0.209 17.400 -2.344 211 HG LEU 2 HG LEU 2 0.625 18.577 0.349 212 1HD1 LEU 2 1HD1 LEU 2 -0.065 20.232 -1.350 213 2HD1 LEU 2 2HD1 LEU 2 -1.582 19.343 -1.605 214 3HD1 LEU 2 3HD1 LEU 2 -1.249 20.110 -0.038 215 1HD2 LEU 2 1HD2 LEU 2 -1.889 17.034 -0.442 216 2HD2 LEU 2 2HD2 LEU 2 -0.690 16.563 0.788 217 3HD2 LEU 2 3HD2 LEU 2 -1.704 17.982 1.049 218 H VAL 3 H VAL 3 0.187 14.812 -2.979 219 HA VAL 3 HA VAL 3 0.635 13.824 -4.920 220 HB VAL 3 HB VAL 3 2.474 16.211 -5.326 221 1HG1 VAL 3 1HG1 VAL 3 2.844 14.502 -7.075 222 2HG1 VAL 3 2HG1 VAL 3 1.090 14.359 -7.323 223 3HG1 VAL 3 3HG1 VAL 3 1.936 15.865 -7.730 224 1HG2 VAL 3 1HG2 VAL 3 0.199 16.913 -4.688 225 2HG2 VAL 3 2HG2 VAL 3 0.471 17.207 -6.406 226 3HG2 VAL 3 3HG2 VAL 3 -0.498 15.810 -5.895 227 H SER 4 H SER 4 3.962 14.963 -4.209 228 HA SER 4 HA SER 4 5.227 12.856 -5.635 229 1HB SER 4 1HB SER 4 6.338 14.594 -3.385 230 2HB SER 4 2HB SER 4 7.284 13.736 -4.616 231 HG SER 4 HG SER 4 6.123 15.050 -6.190 232 H GLY 5 H GLY 5 5.512 10.703 -5.071 233 1HA GLY 5 1HA GLY 5 5.842 8.858 -3.687 234 2HA GLY 5 2HA GLY 5 5.875 9.890 -2.259 235 H LEU 6 H LEU 6 3.477 11.221 -2.362 236 HA LEU 6 HA LEU 6 1.500 9.597 -1.369 237 1HB LEU 6 1HB LEU 6 1.621 12.214 -1.668 238 2HB LEU 6 2HB LEU 6 0.670 11.911 -3.120 239 HG LEU 6 HG LEU 6 -0.052 11.225 -0.256 240 1HD1 LEU 6 1HD1 LEU 6 -1.302 13.119 -2.281 241 2HD1 LEU 6 2HD1 LEU 6 -1.914 12.797 -0.641 242 3HD1 LEU 6 3HD1 LEU 6 -0.334 13.554 -0.849 243 1HD2 LEU 6 1HD2 LEU 6 -0.993 9.406 -1.416 244 2HD2 LEU 6 2HD2 LEU 6 -2.302 10.553 -1.211 245 3HD2 LEU 6 3HD2 LEU 6 -1.493 10.428 -2.793 246 H ILE 7 H ILE 7 1.547 10.625 -4.861 247 HA ILE 7 HA ILE 7 -0.706 8.999 -5.473 248 HB ILE 7 HB ILE 7 -0.189 9.281 -7.813 249 1HG1 ILE 7 1HG1 ILE 7 2.461 10.477 -6.892 250 2HG1 ILE 7 2HG1 ILE 7 2.209 9.016 -7.869 251 1HG2 ILE 7 1HG2 ILE 7 -0.480 11.667 -7.866 252 2HG2 ILE 7 2HG2 ILE 7 -1.269 11.063 -6.409 253 3HG2 ILE 7 3HG2 ILE 7 0.311 11.863 -6.290 254 1HD1 ILE 7 1HD1 ILE 7 1.639 11.869 -8.725 255 2HD1 ILE 7 2HD1 ILE 7 2.888 10.773 -9.332 256 3HD1 ILE 7 3HD1 ILE 7 1.178 10.421 -9.656 257 H GLU 8 H GLU 8 2.758 8.122 -5.682 258 HA GLU 8 HA GLU 8 2.389 5.514 -6.795 259 1HB GLU 8 1HB GLU 8 4.576 6.567 -4.929 260 2HB GLU 8 2HB GLU 8 4.603 5.051 -5.820 261 1HG GLU 8 1HG GLU 8 5.915 6.506 -7.107 262 2HG GLU 8 2HG GLU 8 4.387 6.368 -7.981 263 H ALA 9 H ALA 9 2.729 6.581 -3.392 264 HA ALA 9 HA ALA 9 2.380 4.061 -2.152 265 1HB ALA 9 1HB ALA 9 3.297 6.070 -1.047 266 2HB ALA 9 2HB ALA 9 1.695 6.837 -1.099 267 3HB ALA 9 3HB ALA 9 1.950 5.363 -0.136 268 H ARG 10 H ARG 10 -0.037 6.554 -3.005 269 HA ARG 10 HA ARG 10 -2.342 5.273 -1.957 270 1HB ARG 10 1HB ARG 10 -2.118 7.660 -2.726 271 2HB ARG 10 2HB ARG 10 -2.191 7.085 -4.399 272 1HG ARG 10 1HG ARG 10 -4.437 5.959 -3.719 273 2HG ARG 10 2HG ARG 10 -4.327 6.909 -2.232 274 1HD ARG 10 1HD ARG 10 -4.442 7.956 -5.095 275 2HD ARG 10 2HD ARG 10 -5.733 8.029 -3.878 276 HE ARG 10 HE ARG 10 -3.358 9.314 -2.895 277 1HH1 ARG 10 1HH1 ARG 10 -6.040 9.858 -5.143 278 2HH1 ARG 10 2HH1 ARG 10 -5.897 11.607 -5.031 279 1HH2 ARG 10 1HH2 ARG 10 -3.156 11.601 -2.907 280 2HH2 ARG 10 2HH2 ARG 10 -4.286 12.545 -3.866 281 H LYS 11 H LYS 11 -0.979 5.208 -5.313 282 HA LYS 11 HA LYS 11 -2.829 3.354 -6.416 283 1HB LYS 11 1HB LYS 11 0.078 3.968 -7.037 284 2HB LYS 11 2HB LYS 11 -0.900 2.863 -8.014 285 1HG LYS 11 1HG LYS 11 -2.444 4.584 -8.641 286 2HG LYS 11 2HG LYS 11 -1.797 5.716 -7.445 287 1HD LYS 11 1HD LYS 11 0.392 5.735 -8.620 288 2HD LYS 11 2HD LYS 11 -0.259 4.637 -9.853 289 1HE LYS 11 1HE LYS 11 -1.974 6.329 -10.460 290 2HE LYS 11 2HE LYS 11 -1.374 7.408 -9.186 291 1HZ LYS 11 1HZ LYS 11 0.723 7.494 -10.323 292 2HZ LYS 11 2HZ LYS 11 0.172 6.491 -11.508 293 3HZ LYS 11 3HZ LYS 11 -0.492 7.987 -11.321 294 H TYR 12 H TYR 12 0.378 2.699 -4.911 295 HA TYR 12 HA TYR 12 0.293 -0.125 -5.044 296 1HB TYR 12 1HB TYR 12 2.279 1.188 -4.529 297 2HB TYR 12 2HB TYR 12 1.573 1.748 -3.023 298 HD1 TYR 12 1HD TYR 12 2.917 -1.239 -4.805 299 HD2 TYR 12 2HD TYR 12 1.640 0.394 -1.031 300 HE1 TYR 12 1HE TYR 12 4.057 -3.098 -3.606 301 HE2 TYR 12 2HE TYR 12 2.802 -1.450 0.162 302 HH TYR 12 HH TYR 12 4.205 -3.229 -0.056 303 H LEU 13 H LEU 13 -0.626 1.939 -2.251 304 HA LEU 13 HA LEU 13 -1.654 0.020 -0.513 305 1HB LEU 13 1HB LEU 13 -1.296 2.320 0.125 306 2HB LEU 13 2HB LEU 13 -2.462 2.896 -1.070 307 HG LEU 13 HG LEU 13 -4.326 1.911 0.188 308 1HD1 LEU 13 1HD1 LEU 13 -2.185 1.098 2.201 309 2HD1 LEU 13 2HD1 LEU 13 -3.933 1.009 2.466 310 3HD1 LEU 13 3HD1 LEU 13 -3.191 -0.010 1.232 311 1HD2 LEU 13 1HD2 LEU 13 -2.454 3.611 1.890 312 2HD2 LEU 13 2HD2 LEU 13 -3.589 4.217 0.665 313 3HD2 LEU 13 3HD2 LEU 13 -4.203 3.429 2.129 314 H GLU 14 H GLU 14 -3.505 1.888 -2.977 315 HA GLU 14 HA GLU 14 -5.954 0.550 -2.545 316 1HB GLU 14 1HB GLU 14 -5.673 2.745 -3.671 317 2HB GLU 14 2HB GLU 14 -4.959 1.930 -5.070 318 1HG GLU 14 1HG GLU 14 -7.340 2.426 -5.462 319 2HG GLU 14 2HG GLU 14 -7.100 0.679 -5.425 320 H GLN 15 H GLN 15 -3.312 -0.183 -4.884 321 HA GLN 15 HA GLN 15 -4.587 -2.342 -6.211 322 1HB GLN 15 1HB GLN 15 -2.493 -1.224 -6.936 323 2HB GLN 15 2HB GLN 15 -1.625 -1.985 -5.592 324 1HG GLN 15 1HG GLN 15 -2.350 -4.245 -6.530 325 2HG GLN 15 2HG GLN 15 -2.979 -3.383 -7.941 326 1HE2 GLN 15 1HE2 GLN 15 -1.084 -1.601 -8.672 327 2HE2 GLN 15 2HE2 GLN 15 0.453 -2.424 -8.918 328 H LEU 16 H LEU 16 -2.350 -2.453 -3.375 329 HA LEU 16 HA LEU 16 -2.605 -5.253 -2.880 330 1HB LEU 16 1HB LEU 16 -1.784 -2.871 -1.206 331 2HB LEU 16 2HB LEU 16 -2.124 -4.419 -0.426 332 HG LEU 16 HG LEU 16 -0.491 -5.572 -1.862 333 1HD1 LEU 16 1HD1 LEU 16 -0.413 -3.998 -3.803 334 2HD1 LEU 16 2HD1 LEU 16 0.349 -2.780 -2.751 335 3HD1 LEU 16 3HD1 LEU 16 1.186 -4.297 -3.113 336 1HD2 LEU 16 1HD2 LEU 16 0.569 -3.209 -0.258 337 2HD2 LEU 16 2HD2 LEU 16 0.104 -4.796 0.388 338 3HD2 LEU 16 3HD2 LEU 16 1.496 -4.659 -0.701 339 H HIS 17 H HIS 17 -4.393 -2.537 -1.331 340 HA HIS 17 HA HIS 17 -6.240 -3.982 0.197 341 1HB HIS 17 1HB HIS 17 -6.151 -1.605 0.375 342 2HB HIS 17 2HB HIS 17 -6.431 -1.391 -1.354 343 HD1 HIS 17 1HD HIS 17 -8.805 -0.709 -1.961 344 HD2 HIS 17 2HD HIS 17 -8.522 -3.078 1.512 345 HE1 HIS 17 1HE HIS 17 -11.186 -1.035 -1.096 346 H ARG 18 H ARG 18 -6.693 -2.968 -3.243 347 HA ARG 18 HA ARG 18 -9.173 -4.244 -3.624 348 1HB ARG 18 1HB ARG 18 -8.320 -2.571 -5.149 349 2HB ARG 18 2HB ARG 18 -6.973 -3.618 -5.633 350 1HG ARG 18 1HG ARG 18 -8.506 -5.242 -6.624 351 2HG ARG 18 2HG ARG 18 -9.908 -4.376 -5.969 352 1HD ARG 18 1HD ARG 18 -9.413 -2.453 -7.457 353 2HD ARG 18 2HD ARG 18 -7.923 -3.237 -7.982 354 HE ARG 18 HE ARG 18 -9.090 -4.556 -9.437 355 1HH1 ARG 18 1HH1 ARG 18 -11.419 -3.266 -7.134 356 2HH1 ARG 18 2HH1 ARG 18 -12.796 -3.997 -7.928 357 1HH2 ARG 18 1HH2 ARG 18 -10.851 -5.506 -10.436 358 2HH2 ARG 18 2HH2 ARG 18 -12.465 -5.280 -9.810 359 H LYS 19 H LYS 19 -5.878 -5.559 -4.367 360 HA LYS 19 HA LYS 19 -6.770 -8.097 -5.315 361 1HB LYS 19 1HB LYS 19 -4.204 -7.193 -3.958 362 2HB LYS 19 2HB LYS 19 -4.447 -8.840 -4.567 363 1HG LYS 19 1HG LYS 19 -4.844 -8.032 -6.825 364 2HG LYS 19 2HG LYS 19 -4.745 -6.343 -6.295 365 1HD LYS 19 1HD LYS 19 -2.400 -6.611 -5.666 366 2HD LYS 19 2HD LYS 19 -2.461 -8.351 -6.010 367 1HE LYS 19 1HE LYS 19 -2.904 -7.926 -8.383 368 2HE LYS 19 2HE LYS 19 -2.976 -6.179 -8.102 369 1HZ LYS 19 1HZ LYS 19 -0.605 -7.846 -7.614 370 2HZ LYS 19 2HZ LYS 19 -0.858 -6.937 -8.965 371 3HZ LYS 19 3HZ LYS 19 -0.691 -6.199 -7.507 372 H LEU 20 H LEU 20 -5.830 -7.115 -1.995 373 HA LEU 20 HA LEU 20 -6.423 -9.648 -0.795 374 1HB LEU 20 1HB LEU 20 -6.239 -6.863 0.376 375 2HB LEU 20 2HB LEU 20 -6.291 -8.348 1.332 376 HG LEU 20 HG LEU 20 -4.137 -7.859 -0.789 377 1HD1 LEU 20 1HD1 LEU 20 -3.999 -7.284 2.173 378 2HD1 LEU 20 2HD1 LEU 20 -2.659 -7.156 1.017 379 3HD1 LEU 20 3HD1 LEU 20 -4.048 -6.060 0.890 380 1HD2 LEU 20 1HD2 LEU 20 -4.303 -9.786 1.561 381 2HD2 LEU 20 2HD2 LEU 20 -4.362 -10.210 -0.161 382 3HD2 LEU 20 3HD2 LEU 20 -2.885 -9.536 0.528 383 H LYS 21 H LYS 21 -8.490 -6.810 -1.410 384 HA LYS 21 HA LYS 21 -10.796 -7.816 -0.023 385 1HB LYS 21 1HB LYS 21 -10.377 -5.448 -0.734 386 2HB LYS 21 2HB LYS 21 -10.689 -5.922 -2.408 387 1HG LYS 21 1HG LYS 21 -12.988 -6.587 -1.817 388 2HG LYS 21 2HG LYS 21 -12.657 -6.279 -0.099 389 1HD LYS 21 1HD LYS 21 -12.205 -3.890 -0.598 390 2HD LYS 21 2HD LYS 21 -12.535 -4.180 -2.317 391 1HE LYS 21 1HE LYS 21 -14.860 -4.871 -1.754 392 2HE LYS 21 2HE LYS 21 -14.523 -4.607 -0.032 393 1HZ LYS 21 1HZ LYS 21 -14.427 -2.547 -2.124 394 2HZ LYS 21 2HZ LYS 21 -15.624 -2.737 -1.008 395 3HZ LYS 21 3HZ LYS 21 -14.108 -2.308 -0.525 396 H ASN 22 H ASN 22 -9.674 -8.142 -3.406 397 HA ASN 22 HA ASN 22 -11.901 -9.754 -4.310 398 1HB ASN 22 1HB ASN 22 -9.087 -9.296 -5.351 399 2HB ASN 22 2HB ASN 22 -10.147 -10.522 -6.050 400 1HD2 ASN 22 1HD2 ASN 22 -10.001 -6.998 -5.350 401 2HD2 ASN 22 2HD2 ASN 22 -11.072 -6.586 -6.696 402 H CYS 23 H CYS 23 -8.801 -10.581 -2.757 403 HA CYS 23 HA CYS 23 -9.241 -13.440 -2.624 404 1HB CYS 23 1HB CYS 23 -7.035 -12.296 -2.345 405 2HB CYS 23 2HB CYS 23 -7.652 -11.580 -0.860 406 H LYS 24 H LYS 24 -11.677 -12.814 -2.125 407 HA LYS 24 HA LYS 24 -12.324 -12.078 0.576 408 1HB LYS 24 1HB LYS 24 -14.636 -12.282 -0.173 409 2HB LYS 24 2HB LYS 24 -13.620 -11.369 -1.283 410 1HG LYS 24 1HG LYS 24 -13.456 -13.496 -2.733 411 2HG LYS 24 2HG LYS 24 -14.618 -14.225 -1.636 412 1HD LYS 24 1HD LYS 24 -15.852 -13.428 -3.507 413 2HD LYS 24 2HD LYS 24 -16.231 -12.373 -2.145 414 1HE LYS 24 1HE LYS 24 -15.941 -11.086 -4.215 415 2HE LYS 24 2HE LYS 24 -14.682 -10.633 -3.065 416 1HZ LYS 24 1HZ LYS 24 -13.159 -12.031 -4.245 417 2HZ LYS 24 2HZ LYS 24 -14.346 -12.555 -5.266 418 3HZ LYS 24 3HZ LYS 24 -13.863 -10.981 -5.298 419 H VAL 25 H VAL 25 -10.764 -14.130 1.109 420 HA VAL 25 HA VAL 25 -12.015 -16.715 1.172 421 HB VAL 25 HB VAL 25 -9.685 -15.625 2.793 422 1HG1 VAL 25 1HG1 VAL 25 -10.554 -18.502 2.262 423 2HG1 VAL 25 2HG1 VAL 25 -9.027 -18.008 3.023 424 3HG1 VAL 25 3HG1 VAL 25 -10.557 -17.686 3.840 425 1HG2 VAL 25 1HG2 VAL 25 -9.313 -15.528 0.334 426 2HG2 VAL 25 2HG2 VAL 25 -8.294 -16.751 1.098 427 3HG2 VAL 25 3HG2 VAL 25 -9.749 -17.241 0.204 428 1H GLU 1 1H GLU 1 -5.333 11.199 -1.461 429 2H GLU 1 2H GLU 1 -5.719 11.144 0.143 430 3H GLU 1 3H GLU 1 -4.150 11.294 -0.311 431 HA GLU 1 HA GLU 1 -4.577 13.434 -1.272 432 1HB GLU 1 1HB GLU 1 -7.359 12.874 -0.160 433 2HB GLU 1 2HB GLU 1 -6.832 14.494 -0.596 434 1HG GLU 1 1HG GLU 1 -6.976 12.127 -2.519 435 2HG GLU 1 2HG GLU 1 -8.136 13.454 -2.408 436 H ASN 2 H ASN 2 -4.651 15.437 -0.022 437 HA ASN 2 HA ASN 2 -4.225 16.784 1.715 438 1HB ASN 2 1HB ASN 2 -5.384 14.635 3.524 439 2HB ASN 2 2HB ASN 2 -5.251 16.361 3.854 440 1HD2 ASN 2 1HD2 ASN 2 -6.539 17.864 2.416 441 2HD2 ASN 2 2HD2 ASN 2 -8.037 17.219 1.755 442 H ARG 3 H ARG 3 -2.890 13.538 2.171 443 HA ARG 3 HA ARG 3 -0.397 14.604 3.243 444 1HB ARG 3 1HB ARG 3 -0.655 13.050 5.284 445 2HB ARG 3 2HB ARG 3 -1.517 14.582 5.293 446 1HG ARG 3 1HG ARG 3 -2.946 12.924 6.190 447 2HG ARG 3 2HG ARG 3 -3.636 13.466 4.688 448 1HD ARG 3 1HD ARG 3 -3.004 11.387 3.572 449 2HD ARG 3 2HD ARG 3 -1.969 10.919 4.925 450 HE ARG 3 HE ARG 3 -3.808 10.132 6.057 451 1HH1 ARG 3 1HH1 ARG 3 -5.047 12.131 3.371 452 2HH1 ARG 3 2HH1 ARG 3 -6.701 11.905 3.866 453 1HH2 ARG 3 1HH2 ARG 3 -5.953 9.785 6.565 454 2HH2 ARG 3 2HH2 ARG 3 -7.220 10.587 5.657 455 H GLU 4 H GLU 4 1.211 12.937 3.600 456 HA GLU 4 HA GLU 4 1.060 10.831 1.543 457 1HB GLU 4 1HB GLU 4 3.141 12.347 2.874 458 2HB GLU 4 2HB GLU 4 3.492 10.631 3.014 459 1HG GLU 4 1HG GLU 4 2.726 11.766 0.319 460 2HG GLU 4 2HG GLU 4 4.355 11.946 0.945 461 H VAL 5 H VAL 5 1.802 8.672 1.988 462 HA VAL 5 HA VAL 5 0.433 7.489 4.300 463 HB VAL 5 HB VAL 5 2.070 6.175 2.102 464 1HG1 VAL 5 1HG1 VAL 5 -0.001 5.033 4.034 465 2HG1 VAL 5 2HG1 VAL 5 0.825 4.147 2.741 466 3HG1 VAL 5 3HG1 VAL 5 1.755 4.767 4.114 467 1HG2 VAL 5 1HG2 VAL 5 0.187 7.329 1.050 468 2HG2 VAL 5 2HG2 VAL 5 -0.194 5.606 1.133 469 3HG2 VAL 5 3HG2 VAL 5 -0.925 6.729 2.296 470 HA PRO 6 HA PRO 6 4.227 8.056 6.573 471 1HB PRO 6 1HB PRO 6 3.798 6.536 8.815 472 2HB PRO 6 2HB PRO 6 2.945 8.067 8.472 473 1HG PRO 6 1HG PRO 6 1.969 5.259 7.875 474 2HG PRO 6 2HG PRO 6 1.101 6.552 8.748 475 1HD PRO 6 1HD PRO 6 0.668 6.115 6.127 476 2HD PRO 6 2HD PRO 6 0.774 7.797 6.730 477 HA PRO 7 HA PRO 7 6.798 4.697 4.944 478 1HB PRO 7 1HB PRO 7 8.505 5.585 7.292 479 2HB PRO 7 2HB PRO 7 9.042 5.095 5.657 480 1HG PRO 7 1HG PRO 7 8.783 7.724 6.218 481 2HG PRO 7 2HG PRO 7 8.099 7.091 4.691 482 1HD PRO 7 1HD PRO 7 6.641 7.757 7.252 483 2HD PRO 7 2HD PRO 7 6.178 8.057 5.544 484 H GLY 8 H GLY 8 6.090 4.833 8.427 485 1HA GLY 8 1HA GLY 8 6.683 2.270 9.331 486 2HA GLY 8 2HA GLY 8 5.272 3.210 9.828 487 H PHE 9 H PHE 9 3.941 3.253 7.244 488 HA PHE 9 HA PHE 9 2.533 0.744 7.163 489 1HB PHE 9 1HB PHE 9 1.492 2.761 6.341 490 2HB PHE 9 2HB PHE 9 2.817 3.046 5.214 491 HD1 PHE 9 1HD PHE 9 0.164 0.521 5.973 492 HD2 PHE 9 2HD PHE 9 2.782 2.227 3.010 493 HE1 PHE 9 1HE PHE 9 -0.951 -0.828 4.203 494 HE2 PHE 9 2HE PHE 9 1.663 0.906 1.251 495 HZ PHE 9 HZ PHE 9 -0.193 -0.642 1.837 496 H THR 10 H THR 10 5.013 2.113 4.901 497 HA THR 10 HA THR 10 5.227 -0.135 3.237 498 HB THR 10 HB THR 10 7.455 1.805 3.999 499 HG1 THR 10 1HG THR 10 6.552 2.986 2.210 500 1HG2 THR 10 1HG2 THR 10 6.863 0.259 1.433 501 2HG2 THR 10 2HG2 THR 10 8.178 1.432 1.659 502 3HG2 THR 10 3HG2 THR 10 8.186 -0.086 2.572 503 H ALA 11 H ALA 11 7.093 0.705 6.176 504 HA ALA 11 HA ALA 11 8.736 -1.622 6.275 505 1HB ALA 11 1HB ALA 11 7.679 0.036 8.602 506 2HB ALA 11 2HB ALA 11 9.113 -1.015 8.589 507 3HB ALA 11 3HB ALA 11 9.084 0.451 7.596 508 H LEU 12 H LEU 12 5.547 -1.014 7.843 509 HA LEU 12 HA LEU 12 5.137 -3.525 9.032 510 1HB LEU 12 1HB LEU 12 3.808 -1.527 9.403 511 2HB LEU 12 2HB LEU 12 3.087 -1.642 7.802 512 HG LEU 12 HG LEU 12 2.794 -3.804 9.936 513 1HD1 LEU 12 1HD1 LEU 12 1.927 -1.688 10.793 514 2HD1 LEU 12 2HD1 LEU 12 1.065 -1.392 9.265 515 3HD1 LEU 12 3HD1 LEU 12 0.557 -2.713 10.330 516 1HD2 LEU 12 1HD2 LEU 12 1.263 -3.184 7.356 517 2HD2 LEU 12 2HD2 LEU 12 2.134 -4.686 7.743 518 3HD2 LEU 12 3HD2 LEU 12 0.670 -4.281 8.617 519 H ILE 13 H ILE 13 4.084 -2.499 5.711 520 HA ILE 13 HA ILE 13 3.115 -5.055 4.951 521 HB ILE 13 HB ILE 13 4.294 -2.835 3.249 522 1HG1 ILE 13 1HG1 ILE 13 2.248 -2.178 4.499 523 2HG1 ILE 13 2HG1 ILE 13 2.040 -2.203 2.753 524 1HG2 ILE 13 1HG2 ILE 13 4.431 -4.784 1.880 525 2HG2 ILE 13 2HG2 ILE 13 2.865 -5.394 2.444 526 3HG2 ILE 13 3HG2 ILE 13 2.939 -3.965 1.399 527 1HD1 ILE 13 1HD1 ILE 13 0.833 -4.378 2.930 528 2HD1 ILE 13 2HD1 ILE 13 1.031 -4.328 4.699 529 3HD1 ILE 13 3HD1 ILE 13 0.080 -3.091 3.875 530 H LYS 14 H LYS 14 6.440 -3.723 4.387 531 HA LYS 14 HA LYS 14 7.460 -6.059 3.130 532 1HB LYS 14 1HB LYS 14 8.784 -3.917 4.834 533 2HB LYS 14 2HB LYS 14 9.690 -5.220 4.043 534 1HG LYS 14 1HG LYS 14 8.869 -4.549 1.843 535 2HG LYS 14 2HG LYS 14 7.873 -3.268 2.561 536 1HD LYS 14 1HD LYS 14 9.871 -2.125 3.410 537 2HD LYS 14 2HD LYS 14 10.914 -3.440 2.831 538 1HE LYS 14 1HE LYS 14 10.264 -2.978 0.496 539 2HE LYS 14 2HE LYS 14 9.159 -1.701 1.029 540 1HZ LYS 14 1HZ LYS 14 11.050 -0.528 1.915 541 2HZ LYS 14 2HZ LYS 14 12.073 -1.718 1.414 542 3HZ LYS 14 3HZ LYS 14 11.251 -0.820 0.304 543 H THR 15 H THR 15 7.635 -5.216 6.621 544 HA THR 15 HA THR 15 8.832 -7.684 7.428 545 HB THR 15 HB THR 15 8.070 -7.090 9.708 546 HG1 THR 15 1HG THR 15 6.968 -4.809 8.436 547 1HG2 THR 15 1HG2 THR 15 9.373 -4.847 8.095 548 2HG2 THR 15 2HG2 THR 15 9.350 -4.957 9.859 549 3HG2 THR 15 3HG2 THR 15 10.189 -6.197 8.905 550 H LEU 16 H LEU 16 5.388 -6.790 7.124 551 HA LEU 16 HA LEU 16 4.295 -9.203 8.167 552 1HB LEU 16 1HB LEU 16 3.091 -7.081 7.761 553 2HB LEU 16 2HB LEU 16 3.134 -7.359 6.027 554 HG LEU 16 HG LEU 16 1.915 -9.402 7.933 555 1HD1 LEU 16 1HD1 LEU 16 0.552 -6.954 6.737 556 2HD1 LEU 16 2HD1 LEU 16 -0.262 -8.273 7.607 557 3HD1 LEU 16 3HD1 LEU 16 0.886 -7.234 8.460 558 1HD2 LEU 16 1HD2 LEU 16 1.397 -8.689 5.002 559 2HD2 LEU 16 2HD2 LEU 16 2.142 -10.185 5.592 560 3HD2 LEU 16 3HD2 LEU 16 0.455 -9.861 5.943 561 H ARG 17 H ARG 17 4.959 -8.290 4.740 562 HA ARG 17 HA ARG 17 4.313 -10.816 3.598 563 1HB ARG 17 1HB ARG 17 6.297 -8.670 2.756 564 2HB ARG 17 2HB ARG 17 5.870 -10.051 1.746 565 1HG ARG 17 1HG ARG 17 3.833 -8.014 2.783 566 2HG ARG 17 2HG ARG 17 4.650 -7.902 1.223 567 1HD ARG 17 1HD ARG 17 2.811 -10.169 2.112 568 2HD ARG 17 2HD ARG 17 2.371 -8.868 1.025 569 HE ARG 17 HE ARG 17 4.070 -11.206 0.478 570 1HH1 ARG 17 1HH1 ARG 17 3.199 -8.000 -0.701 571 2HH1 ARG 17 2HH1 ARG 17 3.682 -8.339 -2.348 572 1HH2 ARG 17 1HH2 ARG 17 4.693 -11.631 -1.621 573 2HH2 ARG 17 2HH2 ARG 17 4.545 -10.414 -2.872 574 H LYS 18 H LYS 18 7.473 -9.629 4.852 575 HA LYS 18 HA LYS 18 8.900 -12.016 4.431 576 1HB LYS 18 1HB LYS 18 9.955 -9.900 5.075 577 2HB LYS 18 2HB LYS 18 9.151 -9.947 6.646 578 1HG LYS 18 1HG LYS 18 11.424 -10.618 6.958 579 2HG LYS 18 2HG LYS 18 10.394 -12.017 7.229 580 1HD LYS 18 1HD LYS 18 10.930 -12.738 4.804 581 2HD LYS 18 2HD LYS 18 12.057 -11.373 4.742 582 1HE LYS 18 1HE LYS 18 13.327 -13.340 5.303 583 2HE LYS 18 2HE LYS 18 13.201 -12.397 6.800 584 1HZ LYS 18 1HZ LYS 18 11.362 -13.843 7.434 585 2HZ LYS 18 2HZ LYS 18 11.523 -14.698 6.041 586 3HZ LYS 18 3HZ LYS 18 12.727 -14.715 7.165 587 H CYS 19 H CYS 19 7.182 -11.070 7.472 588 HA CYS 19 HA CYS 19 7.487 -13.432 8.932 589 1HB CYS 19 1HB CYS 19 6.531 -11.396 9.870 590 2HB CYS 19 2HB CYS 19 5.148 -11.516 8.780 591 H LYS 20 H LYS 20 4.945 -12.696 6.513 592 HA LYS 20 HA LYS 20 3.718 -15.354 6.757 593 1HB LYS 20 1HB LYS 20 3.274 -13.078 4.791 594 2HB LYS 20 2HB LYS 20 2.263 -14.520 4.929 595 1HG LYS 20 1HG LYS 20 2.637 -12.413 7.100 596 2HG LYS 20 2HG LYS 20 1.248 -12.585 6.022 597 1HD LYS 20 1HD LYS 20 0.949 -14.954 6.959 598 2HD LYS 20 2HD LYS 20 2.151 -14.534 8.192 599 1HE LYS 20 1HE LYS 20 -0.494 -13.074 7.700 600 2HE LYS 20 2HE LYS 20 -0.154 -14.209 9.014 601 1HZ LYS 20 1HZ LYS 20 1.208 -11.646 8.585 602 2HZ LYS 20 2HZ LYS 20 0.077 -11.967 9.740 603 3HZ LYS 20 3HZ LYS 20 1.545 -12.716 9.791 604 H ILE 21 H ILE 21 6.592 -14.487 5.312 605 HA ILE 21 HA ILE 21 7.960 -15.407 3.838 606 HB ILE 21 HB ILE 21 6.001 -17.702 3.470 607 1HG1 ILE 21 1HG1 ILE 21 6.502 -17.529 5.854 608 2HG1 ILE 21 2HG1 ILE 21 7.268 -18.933 5.129 609 1HG2 ILE 21 1HG2 ILE 21 8.964 -17.420 2.869 610 2HG2 ILE 21 2HG2 ILE 21 8.068 -18.954 2.862 611 3HG2 ILE 21 3HG2 ILE 21 7.642 -17.678 1.719 612 1HD1 ILE 21 1HD1 ILE 21 8.673 -16.324 5.850 613 2HD1 ILE 21 2HD1 ILE 21 8.768 -17.865 6.713 614 3HD1 ILE 21 3HD1 ILE 21 9.454 -17.732 5.091 615 H ILE 22 H ILE 22 4.666 -15.880 2.547 616 HA ILE 22 HA ILE 22 5.337 -15.569 -0.188 617 HB ILE 22 HB ILE 22 2.951 -15.296 -0.570 618 1HG1 ILE 22 1HG1 ILE 22 1.581 -15.590 1.767 619 2HG1 ILE 22 2HG1 ILE 22 2.869 -14.531 2.337 620 1HG2 ILE 22 1HG2 ILE 22 2.210 -17.398 0.343 621 2HG2 ILE 22 2HG2 ILE 22 3.920 -17.529 -0.096 622 3HG2 ILE 22 3HG2 ILE 22 3.451 -17.360 1.609 623 1HD1 ILE 22 1HD1 ILE 22 0.960 -14.018 0.010 624 2HD1 ILE 22 2HD1 ILE 22 0.924 -13.240 1.603 625 3HD1 ILE 22 3HD1 ILE 22 2.258 -12.909 0.489 626 1H ASN 1 1H ASN 1 -7.324 18.703 13.038 627 2H ASN 1 2H ASN 1 -6.259 19.182 14.191 628 3H ASN 1 3H ASN 1 -5.869 19.343 12.594 629 HA ASN 1 HA ASN 1 -5.895 16.979 12.311 630 1HB ASN 1 1HB ASN 1 -3.807 18.279 12.945 631 2HB ASN 1 2HB ASN 1 -4.076 17.784 14.618 632 1HD2 ASN 1 1HD2 ASN 1 -2.858 16.834 11.488 633 2HD2 ASN 1 2HD2 ASN 1 -2.381 15.207 11.958 634 H LEU 2 H LEU 2 -5.878 14.839 13.331 635 HA LEU 2 HA LEU 2 -7.992 14.400 15.228 636 1HB LEU 2 1HB LEU 2 -5.702 12.582 14.374 637 2HB LEU 2 2HB LEU 2 -7.186 12.074 15.190 638 HG LEU 2 HG LEU 2 -7.038 13.279 12.385 639 1HD1 LEU 2 1HD1 LEU 2 -7.525 10.418 13.313 640 2HD1 LEU 2 2HD1 LEU 2 -7.555 11.000 11.636 641 3HD1 LEU 2 3HD1 LEU 2 -6.039 11.024 12.551 642 1HD2 LEU 2 1HD2 LEU 2 -9.376 12.100 13.959 643 2HD2 LEU 2 2HD2 LEU 2 -9.212 13.786 13.416 644 3HD2 LEU 2 3HD2 LEU 2 -9.406 12.494 12.228 645 H VAL 3 H VAL 3 -4.464 14.558 15.540 646 HA VAL 3 HA VAL 3 -3.006 14.471 17.230 647 HB VAL 3 HB VAL 3 -5.274 15.612 18.920 648 1HG1 VAL 3 1HG1 VAL 3 -2.247 15.633 19.310 649 2HG1 VAL 3 2HG1 VAL 3 -3.423 16.535 20.285 650 3HG1 VAL 3 3HG1 VAL 3 -3.422 14.769 20.325 651 1HG2 VAL 3 1HG2 VAL 3 -4.201 17.784 18.381 652 2HG2 VAL 3 2HG2 VAL 3 -3.099 16.959 17.259 653 3HG2 VAL 3 3HG2 VAL 3 -4.846 16.998 16.938 654 H SER 4 H SER 4 -5.921 13.570 19.000 655 HA SER 4 HA SER 4 -5.000 11.353 20.521 656 1HB SER 4 1HB SER 4 -7.433 10.779 20.560 657 2HB SER 4 2HB SER 4 -7.131 12.485 20.917 658 HG SER 4 HG SER 4 -7.695 12.961 18.700 659 H GLY 5 H GLY 5 -7.131 11.062 17.713 660 1HA GLY 5 1HA GLY 5 -6.674 8.458 16.926 661 2HA GLY 5 2HA GLY 5 -7.054 9.749 15.781 662 H LEU 6 H LEU 6 -4.628 11.277 16.043 663 HA LEU 6 HA LEU 6 -2.911 9.868 14.258 664 1HB LEU 6 1HB LEU 6 -3.027 12.296 14.279 665 2HB LEU 6 2HB LEU 6 -2.398 12.351 15.926 666 HG LEU 6 HG LEU 6 -0.243 11.369 15.155 667 1HD1 LEU 6 1HD1 LEU 6 0.207 11.365 12.680 668 2HD1 LEU 6 2HD1 LEU 6 -0.923 10.105 13.179 669 3HD1 LEU 6 3HD1 LEU 6 -1.532 11.581 12.398 670 1HD2 LEU 6 1HD2 LEU 6 0.521 13.394 13.966 671 2HD2 LEU 6 2HD2 LEU 6 -1.171 13.869 13.696 672 3HD2 LEU 6 3HD2 LEU 6 -0.523 13.787 15.345 673 H ILE 7 H ILE 7 -2.297 10.721 17.770 674 HA ILE 7 HA ILE 7 0.082 9.142 17.823 675 HB ILE 7 HB ILE 7 0.062 9.259 20.203 676 1HG1 ILE 7 1HG1 ILE 7 -2.667 10.595 20.081 677 2HG1 ILE 7 2HG1 ILE 7 -2.367 8.946 20.651 678 1HG2 ILE 7 1HG2 ILE 7 -0.766 11.936 19.016 679 2HG2 ILE 7 2HG2 ILE 7 0.315 11.654 20.393 680 3HG2 ILE 7 3HG2 ILE 7 0.811 11.164 18.774 681 1HD1 ILE 7 1HD1 ILE 7 -1.345 11.502 21.928 682 2HD1 ILE 7 2HD1 ILE 7 -2.549 10.369 22.557 683 3HD1 ILE 7 3HD1 ILE 7 -0.856 9.859 22.416 684 H GLU 8 H GLU 8 -3.297 8.195 18.578 685 HA GLU 8 HA GLU 8 -2.625 5.505 19.324 686 1HB GLU 8 1HB GLU 8 -5.156 6.610 18.046 687 2HB GLU 8 2HB GLU 8 -4.981 4.993 18.745 688 1HG GLU 8 1HG GLU 8 -4.768 7.640 20.257 689 2HG GLU 8 2HG GLU 8 -6.058 6.444 20.372 690 H ALA 9 H ALA 9 -3.283 6.904 16.071 691 HA ALA 9 HA ALA 9 -2.914 4.484 14.630 692 1HB ALA 9 1HB ALA 9 -2.292 7.321 13.723 693 2HB ALA 9 2HB ALA 9 -2.500 5.893 12.695 694 3HB ALA 9 3HB ALA 9 -3.869 6.509 13.639 695 H ARG 10 H ARG 10 -0.456 6.970 15.592 696 HA ARG 10 HA ARG 10 1.825 5.645 14.507 697 1HB ARG 10 1HB ARG 10 1.704 7.191 17.129 698 2HB ARG 10 2HB ARG 10 3.148 6.779 16.216 699 1HG ARG 10 1HG ARG 10 0.995 8.761 15.383 700 2HG ARG 10 2HG ARG 10 2.618 9.092 15.961 701 1HD ARG 10 1HD ARG 10 2.788 9.400 13.700 702 2HD ARG 10 2HD ARG 10 3.455 7.771 13.891 703 HE ARG 10 HE ARG 10 0.924 7.122 13.392 704 1HH1 ARG 10 1HH1 ARG 10 2.761 9.638 11.711 705 2HH1 ARG 10 2HH1 ARG 10 1.704 9.653 10.326 706 1HH2 ARG 10 1HH2 ARG 10 -0.289 6.998 11.547 707 2HH2 ARG 10 2HH2 ARG 10 0.042 8.057 10.186 708 H LYS 11 H LYS 11 0.444 5.304 17.811 709 HA LYS 11 HA LYS 11 2.201 3.298 18.756 710 1HB LYS 11 1HB LYS 11 -0.719 3.850 19.384 711 2HB LYS 11 2HB LYS 11 0.281 2.712 20.295 712 1HG LYS 11 1HG LYS 11 1.777 4.462 21.036 713 2HG LYS 11 2HG LYS 11 1.018 5.649 19.966 714 1HD LYS 11 1HD LYS 11 -1.168 5.275 21.177 715 2HD LYS 11 2HD LYS 11 -0.310 4.244 22.333 716 1HE LYS 11 1HE LYS 11 1.137 6.174 22.956 717 2HE LYS 11 2HE LYS 11 0.322 7.179 21.739 718 1HZ LYS 11 1HZ LYS 11 -1.732 6.832 22.926 719 2HZ LYS 11 2HZ LYS 11 -0.953 5.958 24.084 720 3HZ LYS 11 3HZ LYS 11 -0.600 7.557 23.886 721 H TYR 12 H TYR 12 -1.036 2.836 17.240 722 HA TYR 12 HA TYR 12 -1.006 0.010 17.185 723 1HB TYR 12 1HB TYR 12 -2.987 1.401 16.854 724 2HB TYR 12 2HB TYR 12 -2.343 2.027 15.343 725 HD1 TYR 12 1HD TYR 12 -2.496 0.751 13.290 726 HD2 TYR 12 2HD TYR 12 -3.671 -1.009 17.042 727 HE1 TYR 12 1HE TYR 12 -3.609 -1.120 12.073 728 HE2 TYR 12 2HE TYR 12 -4.766 -2.872 15.825 729 HH TYR 12 HH TYR 12 -5.268 -3.757 13.801 730 H LEU 13 H LEU 13 -0.135 2.281 14.543 731 HA LEU 13 HA LEU 13 0.652 0.432 12.599 732 1HB LEU 13 1HB LEU 13 0.300 2.880 12.290 733 2HB LEU 13 2HB LEU 13 1.773 3.200 13.211 734 HG LEU 13 HG LEU 13 3.068 1.957 11.406 735 1HD1 LEU 13 1HD1 LEU 13 1.198 0.647 10.436 736 2HD1 LEU 13 2HD1 LEU 13 0.373 2.147 9.964 737 3HD1 LEU 13 3HD1 LEU 13 1.916 1.700 9.216 738 1HD2 LEU 13 1HD2 LEU 13 2.913 3.855 9.807 739 2HD2 LEU 13 2HD2 LEU 13 1.417 4.394 10.594 740 3HD2 LEU 13 3HD2 LEU 13 2.951 4.416 11.488 741 H GLU 14 H GLU 14 2.715 2.067 15.060 742 HA GLU 14 HA GLU 14 5.094 0.681 14.403 743 1HB GLU 14 1HB GLU 14 4.970 2.784 15.706 744 2HB GLU 14 2HB GLU 14 4.259 1.901 17.064 745 1HG GLU 14 1HG GLU 14 6.676 2.246 17.404 746 2HG GLU 14 2HG GLU 14 6.339 0.522 17.253 747 H GLN 15 H GLN 15 2.581 -0.091 16.882 748 HA GLN 15 HA GLN 15 3.854 -2.351 17.966 749 1HB GLN 15 1HB GLN 15 1.958 -1.293 19.031 750 2HB GLN 15 2HB GLN 15 0.900 -1.713 17.678 751 1HG GLN 15 1HG GLN 15 0.526 -3.191 19.583 752 2HG GLN 15 2HG GLN 15 1.111 -4.117 18.207 753 1HE2 GLN 15 1HE2 GLN 15 3.473 -4.793 18.253 754 2HE2 GLN 15 2HE2 GLN 15 4.168 -5.034 19.859 755 H LEU 16 H LEU 16 1.557 -2.186 15.181 756 HA LEU 16 HA LEU 16 1.717 -5.000 14.551 757 1HB LEU 16 1HB LEU 16 0.890 -2.532 13.029 758 2HB LEU 16 2HB LEU 16 1.234 -4.035 12.162 759 HG LEU 16 HG LEU 16 -0.381 -5.273 13.546 760 1HD1 LEU 16 1HD1 LEU 16 -0.440 -3.823 15.576 761 2HD1 LEU 16 2HD1 LEU 16 -1.203 -2.538 14.612 762 3HD1 LEU 16 3HD1 LEU 16 -2.048 -4.070 14.888 763 1HD2 LEU 16 1HD2 LEU 16 -2.388 -4.313 12.465 764 2HD2 LEU 16 2HD2 LEU 16 -1.479 -2.832 12.095 765 3HD2 LEU 16 3HD2 LEU 16 -1.010 -4.379 11.356 766 H HIS 17 H HIS 17 3.523 -2.224 13.087 767 HA HIS 17 HA HIS 17 5.252 -3.657 11.451 768 1HB HIS 17 1HB HIS 17 5.270 -1.286 11.356 769 2HB HIS 17 2HB HIS 17 5.622 -1.139 13.077 770 HD1 HIS 17 1HD HIS 17 8.038 -0.550 13.593 771 HD2 HIS 17 2HD HIS 17 7.542 -2.908 10.140 772 HE1 HIS 17 1HE HIS 17 10.377 -0.995 12.663 773 H ARG 18 H ARG 18 6.082 -2.758 14.864 774 HA ARG 18 HA ARG 18 8.447 -4.326 14.837 775 1HB ARG 18 1HB ARG 18 8.653 -3.950 17.168 776 2HB ARG 18 2HB ARG 18 8.171 -2.478 16.329 777 1HG ARG 18 1HG ARG 18 6.570 -2.206 17.835 778 2HG ARG 18 2HG ARG 18 5.725 -3.592 17.154 779 1HD ARG 18 1HD ARG 18 7.816 -3.748 19.377 780 2HD ARG 18 2HD ARG 18 6.090 -3.644 19.642 781 HE ARG 18 HE ARG 18 5.743 -5.763 18.506 782 1HH1 ARG 18 1HH1 ARG 18 9.177 -5.242 19.260 783 2HH1 ARG 18 2HH1 ARG 18 9.442 -6.951 19.541 784 1HH2 ARG 18 1HH2 ARG 18 6.162 -7.924 19.019 785 2HH2 ARG 18 2HH2 ARG 18 7.814 -8.414 19.377 786 H LYS 19 H LYS 19 5.094 -5.283 15.776 787 HA LYS 19 HA LYS 19 5.835 -7.856 16.778 788 1HB LYS 19 1HB LYS 19 3.673 -6.890 17.173 789 2HB LYS 19 2HB LYS 19 3.299 -6.895 15.433 790 1HG LYS 19 1HG LYS 19 3.209 -9.299 15.371 791 2HG LYS 19 2HG LYS 19 3.934 -9.434 16.978 792 1HD LYS 19 1HD LYS 19 1.530 -9.894 17.017 793 2HD LYS 19 2HD LYS 19 1.932 -8.517 18.041 794 1HE LYS 19 1HE LYS 19 1.001 -8.093 15.170 795 2HE LYS 19 2HE LYS 19 -0.165 -8.419 16.460 796 1HZ LYS 19 1HZ LYS 19 1.741 -6.191 16.481 797 2HZ LYS 19 2HZ LYS 19 0.129 -6.095 16.159 798 3HZ LYS 19 3HZ LYS 19 0.646 -6.548 17.656 799 H LEU 20 H LEU 20 4.881 -6.898 13.419 800 HA LEU 20 HA LEU 20 5.383 -9.543 12.354 801 1HB LEU 20 1HB LEU 20 5.166 -6.808 11.041 802 2HB LEU 20 2HB LEU 20 5.509 -8.290 10.157 803 HG LEU 20 HG LEU 20 3.243 -7.884 9.870 804 1HD1 LEU 20 1HD1 LEU 20 2.168 -9.870 10.612 805 2HD1 LEU 20 2HD1 LEU 20 3.874 -10.260 10.346 806 3HD1 LEU 20 3HD1 LEU 20 3.251 -10.044 12.000 807 1HD2 LEU 20 1HD2 LEU 20 1.549 -7.690 11.605 808 2HD2 LEU 20 2HD2 LEU 20 2.802 -7.650 12.853 809 3HD2 LEU 20 3HD2 LEU 20 2.704 -6.358 11.619 810 H LYS 21 H LYS 21 7.496 -6.675 12.662 811 HA LYS 21 HA LYS 21 9.787 -7.811 11.415 812 1HB LYS 21 1HB LYS 21 9.399 -5.409 12.123 813 2HB LYS 21 2HB LYS 21 9.762 -5.904 13.782 814 1HG LYS 21 1HG LYS 21 12.019 -6.630 13.097 815 2HG LYS 21 2HG LYS 21 11.638 -6.266 11.400 816 1HD LYS 21 1HD LYS 21 11.272 -3.880 11.981 817 2HD LYS 21 2HD LYS 21 11.652 -4.228 13.679 818 1HE LYS 21 1HE LYS 21 13.935 -4.970 13.013 819 2HE LYS 21 2HE LYS 21 13.547 -4.643 11.313 820 1HZ LYS 21 1HZ LYS 21 14.737 -2.837 12.308 821 2HZ LYS 21 2HZ LYS 21 13.219 -2.350 11.892 822 3HZ LYS 21 3HZ LYS 21 13.585 -2.650 13.470 823 H ASN 22 H ASN 22 8.635 -8.029 14.791 824 HA ASN 22 HA ASN 22 10.816 -9.581 15.793 825 1HB ASN 22 1HB ASN 22 9.154 -8.186 17.072 826 2HB ASN 22 2HB ASN 22 7.960 -9.471 16.848 827 1HD2 ASN 22 1HD2 ASN 22 10.366 -11.548 17.292 828 2HD2 ASN 22 2HD2 ASN 22 10.533 -11.427 19.036 829 H CYS 23 H CYS 23 7.660 -10.514 14.344 830 HA CYS 23 HA CYS 23 7.857 -13.337 14.634 831 1HB CYS 23 1HB CYS 23 5.821 -12.425 13.760 832 2HB CYS 23 2HB CYS 23 6.677 -11.579 12.481 833 H LYS 24 H LYS 24 8.864 -11.417 11.772 834 HA LYS 24 HA LYS 24 10.399 -11.721 10.164 835 1HB LYS 24 1HB LYS 24 11.886 -11.355 12.072 836 2HB LYS 24 2HB LYS 24 12.000 -13.093 12.360 837 1HG LYS 24 1HG LYS 24 13.006 -13.395 10.104 838 2HG LYS 24 2HG LYS 24 12.870 -11.649 9.813 839 1HD LYS 24 1HD LYS 24 14.343 -11.209 11.757 840 2HD LYS 24 2HD LYS 24 14.463 -12.944 12.085 841 1HE LYS 24 1HE LYS 24 15.382 -11.582 9.502 842 2HE LYS 24 2HE LYS 24 16.441 -12.041 10.846 843 1HZ LYS 24 1HZ LYS 24 15.789 -14.317 10.514 844 2HZ LYS 24 2HZ LYS 24 14.831 -13.903 9.242 845 3HZ LYS 24 3HZ LYS 24 16.461 -13.692 9.146 846 H VAL 25 H VAL 25 10.667 -14.865 11.844 847 HA VAL 25 HA VAL 25 11.425 -16.855 11.015 848 HB VAL 25 HB VAL 25 9.647 -18.064 9.768 849 1HG1 VAL 25 1HG1 VAL 25 8.702 -16.412 12.145 850 2HG1 VAL 25 2HG1 VAL 25 8.012 -17.945 11.578 851 3HG1 VAL 25 3HG1 VAL 25 9.661 -17.906 12.225 852 1HG2 VAL 25 1HG2 VAL 25 8.059 -15.474 9.947 853 2HG2 VAL 25 2HG2 VAL 25 8.758 -16.084 8.435 854 3HG2 VAL 25 3HG2 VAL 25 7.529 -17.028 9.290 Start of MODEL 23 1 1H GLU 1 1H GLU 1 7.920 16.810 10.731 2 2H GLU 1 2H GLU 1 8.806 16.545 9.366 3 3H GLU 1 3H GLU 1 7.902 15.328 10.021 4 HA GLU 1 HA GLU 1 6.853 17.803 8.886 5 1HB GLU 1 1HB GLU 1 7.861 16.324 7.205 6 2HB GLU 1 2HB GLU 1 6.849 14.983 7.743 7 1HG GLU 1 1HG GLU 1 4.809 16.269 7.029 8 2HG GLU 1 2HG GLU 1 5.847 17.618 6.533 9 H ASN 2 H ASN 2 4.551 17.851 8.645 10 HA ASN 2 HA ASN 2 3.078 16.979 10.995 11 1HB ASN 2 1HB ASN 2 1.235 18.275 9.881 12 2HB ASN 2 2HB ASN 2 2.725 19.174 10.171 13 1HD2 ASN 2 1HD2 ASN 2 1.431 20.564 8.476 14 2HD2 ASN 2 2HD2 ASN 2 1.953 20.255 6.820 15 H ARG 3 H ARG 3 3.724 14.677 10.236 16 HA ARG 3 HA ARG 3 2.181 13.489 8.094 17 1HB ARG 3 1HB ARG 3 4.213 12.471 10.115 18 2HB ARG 3 2HB ARG 3 3.511 11.415 8.892 19 1HG ARG 3 1HG ARG 3 4.716 13.979 7.898 20 2HG ARG 3 2HG ARG 3 5.835 12.767 8.538 21 1HD ARG 3 1HD ARG 3 5.464 12.554 6.065 22 2HD ARG 3 2HD ARG 3 5.071 11.102 6.997 23 HE ARG 3 HE ARG 3 2.938 13.074 6.314 24 1HH1 ARG 3 1HH1 ARG 3 4.147 9.881 5.440 25 2HH1 ARG 3 2HH1 ARG 3 2.507 9.228 5.337 26 1HH2 ARG 3 1HH2 ARG 3 0.878 12.076 6.343 27 2HH2 ARG 3 2HH2 ARG 3 0.762 10.396 5.854 28 H GLU 4 H GLU 4 0.297 12.459 8.179 29 HA GLU 4 HA GLU 4 -0.583 11.140 10.711 30 1HB GLU 4 1HB GLU 4 -2.144 12.655 8.600 31 2HB GLU 4 2HB GLU 4 -2.895 11.644 9.849 32 1HG GLU 4 1HG GLU 4 -1.862 13.084 11.612 33 2HG GLU 4 2HG GLU 4 -1.193 14.119 10.348 34 H VAL 5 H VAL 5 -1.570 9.168 10.583 35 HA VAL 5 HA VAL 5 -0.906 7.529 8.282 36 HB VAL 5 HB VAL 5 -2.347 6.826 10.862 37 1HG1 VAL 5 1HG1 VAL 5 -1.635 4.505 10.313 38 2HG1 VAL 5 2HG1 VAL 5 -2.759 5.140 9.105 39 3HG1 VAL 5 3HG1 VAL 5 -1.019 5.064 8.748 40 1HG2 VAL 5 1HG2 VAL 5 -0.149 5.906 11.558 41 2HG2 VAL 5 2HG2 VAL 5 0.594 6.583 10.095 42 3HG2 VAL 5 3HG2 VAL 5 -0.079 7.657 11.339 43 HA PRO 6 HA PRO 6 -5.004 8.342 6.559 44 1HB PRO 6 1HB PRO 6 -4.942 6.783 4.315 45 2HB PRO 6 2HB PRO 6 -4.025 8.297 4.495 46 1HG PRO 6 1HG PRO 6 -3.029 5.471 4.965 47 2HG PRO 6 2HG PRO 6 -2.257 6.745 3.982 48 1HD PRO 6 1HD PRO 6 -1.501 6.255 6.531 49 2HD PRO 6 2HD PRO 6 -1.564 7.937 5.914 50 HA PRO 7 HA PRO 7 -7.526 4.948 8.277 51 1HB PRO 7 1HB PRO 7 -9.385 6.116 6.185 52 2HB PRO 7 2HB PRO 7 -9.791 5.525 7.824 53 1HG PRO 7 1HG PRO 7 -9.476 8.178 7.427 54 2HG PRO 7 2HG PRO 7 -8.678 7.413 8.834 55 1HD PRO 7 1HD PRO 7 -7.444 8.165 6.176 56 2HD PRO 7 2HD PRO 7 -6.820 8.402 7.839 57 H GLY 8 H GLY 8 -7.018 5.476 4.800 58 1HA GLY 8 1HA GLY 8 -7.735 3.081 3.603 59 2HA GLY 8 2HA GLY 8 -6.283 4.006 3.201 60 H PHE 9 H PHE 9 -4.885 3.659 5.714 61 HA PHE 9 HA PHE 9 -3.644 1.085 5.374 62 1HB PHE 9 1HB PHE 9 -2.401 2.895 6.366 63 2HB PHE 9 2HB PHE 9 -3.623 3.136 7.610 64 HD1 PHE 9 1HD PHE 9 -1.637 0.200 6.336 65 HD2 PHE 9 2HD PHE 9 -3.069 2.410 9.748 66 HE1 PHE 9 1HE PHE 9 -0.565 -1.441 7.853 67 HE2 PHE 9 2HE PHE 9 -1.964 0.800 11.259 68 HZ PHE 9 HZ PHE 9 -0.739 -1.155 10.321 69 H THR 10 H THR 10 -5.933 2.305 7.904 70 HA THR 10 HA THR 10 -6.285 -0.112 9.277 71 HB THR 10 HB THR 10 -8.432 2.006 8.858 72 HG1 THR 10 1HG THR 10 -7.342 2.989 10.682 73 1HG2 THR 10 1HG2 THR 10 -7.665 0.273 11.253 74 2HG2 THR 10 2HG2 THR 10 -8.985 1.458 11.200 75 3HG2 THR 10 3HG2 THR 10 -9.070 -0.003 10.200 76 H ALA 11 H ALA 11 -8.108 1.214 6.488 77 HA ALA 11 HA ALA 11 -9.972 -0.924 6.208 78 1HB ALA 11 1HB ALA 11 -10.140 1.317 5.134 79 2HB ALA 11 2HB ALA 11 -8.839 0.857 4.016 80 3HB ALA 11 3HB ALA 11 -10.381 -0.024 4.005 81 H LEU 12 H LEU 12 -6.774 -0.441 4.620 82 HA LEU 12 HA LEU 12 -6.637 -2.873 3.207 83 1HB LEU 12 1HB LEU 12 -5.113 -1.012 2.934 84 2HB LEU 12 2HB LEU 12 -4.362 -1.320 4.496 85 HG LEU 12 HG LEU 12 -4.483 -3.511 2.385 86 1HD1 LEU 12 1HD1 LEU 12 -2.281 -2.712 1.569 87 2HD1 LEU 12 2HD1 LEU 12 -3.580 -1.565 1.240 88 3HD1 LEU 12 3HD1 LEU 12 -2.457 -1.262 2.586 89 1HD2 LEU 12 1HD2 LEU 12 -2.263 -4.114 3.447 90 2HD2 LEU 12 2HD2 LEU 12 -2.545 -2.855 4.662 91 3HD2 LEU 12 3HD2 LEU 12 -3.610 -4.267 4.563 92 H ILE 13 H ILE 13 -5.407 -2.206 6.530 93 HA ILE 13 HA ILE 13 -4.674 -4.832 7.219 94 HB ILE 13 HB ILE 13 -5.707 -2.503 8.851 95 1HG1 ILE 13 1HG1 ILE 13 -3.454 -2.307 7.802 96 2HG1 ILE 13 2HG1 ILE 13 -3.467 -2.201 9.562 97 1HG2 ILE 13 1HG2 ILE 13 -4.921 -3.702 10.891 98 2HG2 ILE 13 2HG2 ILE 13 -6.377 -4.378 10.183 99 3HG2 ILE 13 3HG2 ILE 13 -4.824 -5.199 9.933 100 1HD1 ILE 13 1HD1 ILE 13 -2.602 -4.641 7.937 101 2HD1 ILE 13 2HD1 ILE 13 -1.557 -3.508 8.794 102 3HD1 ILE 13 3HD1 ILE 13 -2.642 -4.551 9.712 103 H LYS 14 H LYS 14 -7.932 -3.328 7.666 104 HA LYS 14 HA LYS 14 -9.185 -5.605 8.752 105 1HB LYS 14 1HB LYS 14 -10.175 -3.352 8.617 106 2HB LYS 14 2HB LYS 14 -10.365 -3.536 6.865 107 1HG LYS 14 1HG LYS 14 -11.923 -5.427 7.201 108 2HG LYS 14 2HG LYS 14 -11.609 -5.390 8.942 109 1HD LYS 14 1HD LYS 14 -13.734 -4.327 8.509 110 2HD LYS 14 2HD LYS 14 -12.589 -3.101 9.075 111 1HE LYS 14 1HE LYS 14 -12.255 -2.307 6.757 112 2HE LYS 14 2HE LYS 14 -13.276 -3.619 6.137 113 1HZ LYS 14 1HZ LYS 14 -14.460 -1.560 6.316 114 2HZ LYS 14 2HZ LYS 14 -15.103 -2.670 7.350 115 3HZ LYS 14 3HZ LYS 14 -14.146 -1.461 7.931 116 H THR 15 H THR 15 -8.942 -4.713 5.244 117 HA THR 15 HA THR 15 -10.116 -7.185 4.359 118 HB THR 15 HB THR 15 -9.120 -6.631 2.144 119 HG1 THR 15 1HG THR 15 -7.551 -5.039 3.555 120 1HG2 THR 15 1HG2 THR 15 -10.561 -4.670 1.817 121 2HG2 THR 15 2HG2 THR 15 -11.362 -5.896 2.812 122 3HG2 THR 15 3HG2 THR 15 -10.676 -4.446 3.577 123 H LEU 16 H LEU 16 -6.739 -6.409 5.140 124 HA LEU 16 HA LEU 16 -5.598 -8.798 4.057 125 1HB LEU 16 1HB LEU 16 -4.475 -6.619 4.845 126 2HB LEU 16 2HB LEU 16 -4.553 -7.256 6.477 127 HG LEU 16 HG LEU 16 -3.293 -8.853 4.204 128 1HD1 LEU 16 1HD1 LEU 16 -2.250 -6.621 4.197 129 2HD1 LEU 16 2HD1 LEU 16 -1.916 -6.764 5.938 130 3HD1 LEU 16 3HD1 LEU 16 -1.131 -7.859 4.776 131 1HD2 LEU 16 1HD2 LEU 16 -1.911 -9.782 6.057 132 2HD2 LEU 16 2HD2 LEU 16 -2.805 -8.788 7.223 133 3HD2 LEU 16 3HD2 LEU 16 -3.625 -10.087 6.336 134 H ARG 17 H ARG 17 -6.630 -7.932 7.355 135 HA ARG 17 HA ARG 17 -6.306 -10.417 8.618 136 1HB ARG 17 1HB ARG 17 -6.686 -8.305 9.738 137 2HB ARG 17 2HB ARG 17 -8.339 -8.198 9.128 138 1HG ARG 17 1HG ARG 17 -9.138 -9.878 10.533 139 2HG ARG 17 2HG ARG 17 -7.578 -10.695 10.647 140 1HD ARG 17 1HD ARG 17 -8.198 -8.013 11.933 141 2HD ARG 17 2HD ARG 17 -8.224 -9.569 12.764 142 HE ARG 17 HE ARG 17 -5.855 -9.903 12.191 143 1HH1 ARG 17 1HH1 ARG 17 -6.939 -6.498 12.195 144 2HH1 ARG 17 2HH1 ARG 17 -5.292 -5.916 12.398 145 1HH2 ARG 17 1HH2 ARG 17 -3.811 -9.047 12.378 146 2HH2 ARG 17 2HH2 ARG 17 -3.573 -7.305 12.442 147 H LYS 18 H LYS 18 -9.212 -9.135 6.883 148 HA LYS 18 HA LYS 18 -10.770 -11.484 7.121 149 1HB LYS 18 1HB LYS 18 -11.570 -9.260 6.270 150 2HB LYS 18 2HB LYS 18 -10.645 -9.513 4.802 151 1HG LYS 18 1HG LYS 18 -12.985 -10.018 4.426 152 2HG LYS 18 2HG LYS 18 -11.985 -11.443 4.181 153 1HD LYS 18 1HD LYS 18 -14.053 -12.011 5.295 154 2HD LYS 18 2HD LYS 18 -12.712 -12.379 6.361 155 1HE LYS 18 1HE LYS 18 -14.222 -9.729 6.571 156 2HE LYS 18 2HE LYS 18 -14.861 -11.209 7.300 157 1HZ LYS 18 1HZ LYS 18 -13.596 -9.986 8.870 158 2HZ LYS 18 2HZ LYS 18 -12.872 -11.433 8.562 159 3HZ LYS 18 3HZ LYS 18 -12.246 -10.051 7.930 160 H CYS 19 H CYS 19 -8.704 -10.582 4.301 161 HA CYS 19 HA CYS 19 -8.941 -12.907 2.830 162 1HB CYS 19 1HB CYS 19 -7.861 -10.867 2.042 163 2HB CYS 19 2HB CYS 19 -6.514 -11.111 3.157 164 H LYS 20 H LYS 20 -6.568 -12.319 5.439 165 HA LYS 20 HA LYS 20 -5.516 -15.090 5.207 166 1HB LYS 20 1HB LYS 20 -4.682 -12.812 7.026 167 2HB LYS 20 2HB LYS 20 -3.800 -14.316 6.734 168 1HG LYS 20 1HG LYS 20 -4.298 -12.069 4.738 169 2HG LYS 20 2HG LYS 20 -2.774 -12.493 5.522 170 1HD LYS 20 1HD LYS 20 -2.897 -14.762 4.396 171 2HD LYS 20 2HD LYS 20 -4.304 -14.188 3.484 172 1HE LYS 20 1HE LYS 20 -1.522 -12.923 3.429 173 2HE LYS 20 2HE LYS 20 -2.210 -13.975 2.180 174 1HZ LYS 20 1HZ LYS 20 -3.947 -12.356 1.861 175 2HZ LYS 20 2HZ LYS 20 -3.271 -11.360 2.986 176 3HZ LYS 20 3HZ LYS 20 -2.460 -11.696 1.593 177 H ILE 21 H ILE 21 -8.230 -13.945 6.662 178 HA ILE 21 HA ILE 21 -9.553 -14.572 8.315 179 HB ILE 21 HB ILE 21 -7.716 -16.917 8.909 180 1HG1 ILE 21 1HG1 ILE 21 -8.281 -17.041 6.548 181 2HG1 ILE 21 2HG1 ILE 21 -9.141 -18.267 7.466 182 1HG2 ILE 21 1HG2 ILE 21 -10.639 -16.387 9.542 183 2HG2 ILE 21 2HG2 ILE 21 -9.817 -17.948 9.747 184 3HG2 ILE 21 3HG2 ILE 21 -9.297 -16.546 10.687 185 1HD1 ILE 21 1HD1 ILE 21 -10.583 -17.278 5.762 186 2HD1 ILE 21 2HD1 ILE 21 -11.220 -16.900 7.368 187 3HD1 ILE 21 3HD1 ILE 21 -10.351 -15.661 6.435 188 H ILE 22 H ILE 22 -6.224 -15.046 9.510 189 HA ILE 22 HA ILE 22 -6.893 -13.611 12.021 190 HB ILE 22 HB ILE 22 -5.752 -15.772 12.198 191 1HG1 ILE 22 1HG1 ILE 22 -3.904 -15.158 13.666 192 2HG1 ILE 22 2HG1 ILE 22 -3.911 -13.499 13.069 193 1HG2 ILE 22 1HG2 ILE 22 -3.400 -14.470 10.756 194 2HG2 ILE 22 2HG2 ILE 22 -3.418 -16.068 11.514 195 3HG2 ILE 22 3HG2 ILE 22 -4.429 -15.762 10.104 196 1HD1 ILE 22 1HD1 ILE 22 -6.129 -13.121 14.064 197 2HD1 ILE 22 2HD1 ILE 22 -6.263 -14.849 14.478 198 3HD1 ILE 22 3HD1 ILE 22 -5.055 -13.824 15.278 199 1H ASN 1 1H ASN 1 5.936 16.725 2.661 200 2H ASN 1 2H ASN 1 4.430 17.372 2.787 201 3H ASN 1 3H ASN 1 5.362 17.709 1.468 202 HA ASN 1 HA ASN 1 4.396 15.053 2.179 203 1HB ASN 1 1HB ASN 1 2.501 16.503 1.627 204 2HB ASN 1 2HB ASN 1 3.301 17.016 0.135 205 1HD2 ASN 1 1HD2 ASN 1 1.208 14.569 1.559 206 2HD2 ASN 1 2HD2 ASN 1 1.146 13.619 0.082 207 H LEU 2 H LEU 2 5.325 13.393 1.103 208 HA LEU 2 HA LEU 2 7.533 14.006 -0.753 209 1HB LEU 2 1HB LEU 2 6.534 11.388 0.437 210 2HB LEU 2 2HB LEU 2 7.891 11.564 -0.672 211 HG LEU 2 HG LEU 2 9.026 13.071 0.980 212 1HD1 LEU 2 1HD1 LEU 2 8.288 12.766 3.397 213 2HD1 LEU 2 2HD1 LEU 2 7.257 13.836 2.461 214 3HD1 LEU 2 3HD1 LEU 2 6.734 12.165 2.788 215 1HD2 LEU 2 1HD2 LEU 2 9.746 11.184 2.398 216 2HD2 LEU 2 2HD2 LEU 2 8.318 10.253 1.898 217 3HD2 LEU 2 3HD2 LEU 2 9.570 10.679 0.712 218 H VAL 3 H VAL 3 5.740 14.989 -2.154 219 HA VAL 3 HA VAL 3 3.732 13.820 -3.480 220 HB VAL 3 HB VAL 3 5.803 15.651 -4.748 221 1HG1 VAL 3 1HG1 VAL 3 3.938 16.310 -6.283 222 2HG1 VAL 3 2HG1 VAL 3 4.464 14.649 -6.550 223 3HG1 VAL 3 3HG1 VAL 3 2.966 14.969 -5.646 224 1HG2 VAL 3 1HG2 VAL 3 3.125 16.214 -3.387 225 2HG2 VAL 3 2HG2 VAL 3 4.724 16.623 -2.735 226 3HG2 VAL 3 3HG2 VAL 3 4.145 17.419 -4.196 227 H SER 4 H SER 4 7.080 13.493 -4.800 228 HA SER 4 HA SER 4 6.556 11.836 -6.954 229 1HB SER 4 1HB SER 4 8.971 11.643 -5.111 230 2HB SER 4 2HB SER 4 8.909 11.290 -6.847 231 HG SER 4 HG SER 4 8.397 13.543 -7.153 232 H GLY 5 H GLY 5 6.699 10.921 -3.541 233 1HA GLY 5 1HA GLY 5 6.600 8.009 -4.047 234 2HA GLY 5 2HA GLY 5 6.600 8.846 -2.490 235 H LEU 6 H LEU 6 4.547 10.611 -2.681 236 HA LEU 6 HA LEU 6 2.381 9.455 -1.701 237 1HB LEU 6 1HB LEU 6 2.604 11.890 -1.927 238 2HB LEU 6 2HB LEU 6 2.342 11.772 -3.663 239 HG LEU 6 HG LEU 6 0.015 10.943 -3.272 240 1HD1 LEU 6 1HD1 LEU 6 0.261 9.999 -0.999 241 2HD1 LEU 6 2HD1 LEU 6 0.621 11.620 -0.366 242 3HD1 LEU 6 3HD1 LEU 6 -0.982 11.254 -1.031 243 1HD2 LEU 6 1HD2 LEU 6 0.475 13.293 -3.744 244 2HD2 LEU 6 2HD2 LEU 6 -0.879 13.125 -2.614 245 3HD2 LEU 6 3HD2 LEU 6 0.719 13.616 -2.019 246 H ILE 7 H ILE 7 2.320 10.201 -5.228 247 HA ILE 7 HA ILE 7 -0.119 8.855 -5.643 248 HB ILE 7 HB ILE 7 0.197 9.032 -7.957 249 1HG1 ILE 7 1HG1 ILE 7 2.462 8.259 -8.348 250 2HG1 ILE 7 2HG1 ILE 7 2.132 9.796 -9.124 251 1HG2 ILE 7 1HG2 ILE 7 -0.384 11.045 -6.733 252 2HG2 ILE 7 2HG2 ILE 7 1.320 11.505 -6.584 253 3HG2 ILE 7 3HG2 ILE 7 0.557 11.432 -8.182 254 1HD1 ILE 7 1HD1 ILE 7 3.777 9.456 -6.581 255 2HD1 ILE 7 2HD1 ILE 7 4.377 9.772 -8.209 256 3HD1 ILE 7 3HD1 ILE 7 3.410 11.000 -7.387 257 H GLU 8 H GLU 8 3.187 7.546 -6.012 258 HA GLU 8 HA GLU 8 2.330 5.010 -7.059 259 1HB GLU 8 1HB GLU 8 4.594 5.889 -7.381 260 2HB GLU 8 2HB GLU 8 4.896 5.856 -5.639 261 1HG GLU 8 1HG GLU 8 5.920 3.920 -6.814 262 2HG GLU 8 2HG GLU 8 4.742 3.402 -5.607 263 H ALA 9 H ALA 9 3.196 6.119 -3.758 264 HA ALA 9 HA ALA 9 2.769 3.630 -2.445 265 1HB ALA 9 1HB ALA 9 3.986 5.577 -1.504 266 2HB ALA 9 2HB ALA 9 2.441 6.436 -1.313 267 3HB ALA 9 3HB ALA 9 2.753 4.925 -0.415 268 H ARG 10 H ARG 10 0.513 6.378 -2.964 269 HA ARG 10 HA ARG 10 -1.834 5.253 -1.817 270 1HB ARG 10 1HB ARG 10 -1.372 7.175 -4.119 271 2HB ARG 10 2HB ARG 10 -2.988 6.743 -3.577 272 1HG ARG 10 1HG ARG 10 -0.905 7.935 -1.690 273 2HG ARG 10 2HG ARG 10 -2.009 8.897 -2.679 274 1HD ARG 10 1HD ARG 10 -3.926 7.560 -1.613 275 2HD ARG 10 2HD ARG 10 -2.750 6.976 -0.442 276 HE ARG 10 HE ARG 10 -3.481 9.845 -0.996 277 1HH1 ARG 10 1HH1 ARG 10 -2.440 7.496 1.501 278 2HH1 ARG 10 2HH1 ARG 10 -2.513 8.754 2.739 279 1HH2 ARG 10 1HH2 ARG 10 -3.603 11.291 0.713 280 2HH2 ARG 10 2HH2 ARG 10 -3.169 10.729 2.328 281 H LYS 11 H LYS 11 -0.740 5.100 -5.279 282 HA LYS 11 HA LYS 11 -2.815 3.400 -6.189 283 1HB LYS 11 1HB LYS 11 0.049 3.806 -7.098 284 2HB LYS 11 2HB LYS 11 -1.083 2.756 -7.960 285 1HG LYS 11 1HG LYS 11 -2.594 4.557 -8.433 286 2HG LYS 11 2HG LYS 11 -1.727 5.670 -7.367 287 1HD LYS 11 1HD LYS 11 0.297 5.490 -8.803 288 2HD LYS 11 2HD LYS 11 -0.574 4.394 -9.894 289 1HE LYS 11 1HE LYS 11 -2.238 6.183 -10.362 290 2HE LYS 11 2HE LYS 11 -1.393 7.270 -9.243 291 1HZ LYS 11 1HZ LYS 11 0.533 7.124 -10.651 292 2HZ LYS 11 2HZ LYS 11 -0.250 6.115 -11.691 293 3HZ LYS 11 3HZ LYS 11 -0.766 7.670 -11.507 294 H TYR 12 H TYR 12 0.414 2.471 -4.877 295 HA TYR 12 HA TYR 12 0.055 -0.337 -5.149 296 1HB TYR 12 1HB TYR 12 2.220 0.696 -4.758 297 2HB TYR 12 2HB TYR 12 1.709 1.273 -3.175 298 HD1 TYR 12 1HD TYR 12 1.879 -0.136 -1.249 299 HD2 TYR 12 2HD TYR 12 2.268 -1.846 -5.182 300 HE1 TYR 12 1HE TYR 12 2.429 -2.347 -0.241 301 HE2 TYR 12 2HE TYR 12 2.824 -4.041 -4.173 302 HH TYR 12 HH TYR 12 3.093 -5.214 -2.254 303 H LEU 13 H LEU 13 -0.503 1.749 -2.262 304 HA LEU 13 HA LEU 13 -1.575 -0.214 -0.546 305 1HB LEU 13 1HB LEU 13 -0.881 2.005 0.132 306 2HB LEU 13 2HB LEU 13 -2.205 2.767 -0.746 307 HG LEU 13 HG LEU 13 -2.878 0.667 1.316 308 1HD1 LEU 13 1HD1 LEU 13 -2.072 3.505 2.027 309 2HD1 LEU 13 2HD1 LEU 13 -2.803 2.321 3.130 310 3HD1 LEU 13 3HD1 LEU 13 -1.190 2.026 2.465 311 1HD2 LEU 13 1HD2 LEU 13 -4.737 1.749 0.048 312 2HD2 LEU 13 2HD2 LEU 13 -4.793 2.173 1.756 313 3HD2 LEU 13 3HD2 LEU 13 -4.161 3.340 0.579 314 H GLU 14 H GLU 14 -3.318 1.938 -2.819 315 HA GLU 14 HA GLU 14 -5.933 0.995 -2.420 316 1HB GLU 14 1HB GLU 14 -5.323 3.036 -3.627 317 2HB GLU 14 2HB GLU 14 -4.591 2.086 -4.927 318 1HG GLU 14 1HG GLU 14 -6.817 1.099 -5.465 319 2HG GLU 14 2HG GLU 14 -7.540 2.017 -4.133 320 H GLN 15 H GLN 15 -3.592 -0.102 -4.957 321 HA GLN 15 HA GLN 15 -5.243 -2.170 -6.014 322 1HB GLN 15 1HB GLN 15 -2.239 -1.778 -5.918 323 2HB GLN 15 2HB GLN 15 -2.995 -3.129 -6.776 324 1HG GLN 15 1HG GLN 15 -4.184 -1.696 -8.278 325 2HG GLN 15 2HG GLN 15 -3.792 -0.244 -7.349 326 1HE2 GLN 15 1HE2 GLN 15 -1.397 0.142 -7.036 327 2HE2 GLN 15 2HE2 GLN 15 -0.376 -0.096 -8.469 328 H LEU 16 H LEU 16 -2.705 -2.378 -3.453 329 HA LEU 16 HA LEU 16 -3.011 -5.154 -2.996 330 1HB LEU 16 1HB LEU 16 -1.096 -3.854 -2.246 331 2HB LEU 16 2HB LEU 16 -2.106 -2.927 -1.132 332 HG LEU 16 HG LEU 16 -2.505 -4.892 0.246 333 1HD1 LEU 16 1HD1 LEU 16 -2.575 -6.709 -1.405 334 2HD1 LEU 16 2HD1 LEU 16 -0.875 -6.419 -1.838 335 3HD1 LEU 16 3HD1 LEU 16 -1.301 -7.046 -0.233 336 1HD2 LEU 16 1HD2 LEU 16 -0.244 -5.254 1.065 337 2HD2 LEU 16 2HD2 LEU 16 0.449 -4.738 -0.485 338 3HD2 LEU 16 3HD2 LEU 16 -0.386 -3.565 0.545 339 H HIS 17 H HIS 17 -4.528 -2.408 -1.216 340 HA HIS 17 HA HIS 17 -6.244 -3.862 0.479 341 1HB HIS 17 1HB HIS 17 -5.852 -1.463 0.654 342 2HB HIS 17 2HB HIS 17 -6.607 -1.190 -0.915 343 HD1 HIS 17 1HD HIS 17 -8.344 -3.448 1.723 344 HD2 HIS 17 2HD HIS 17 -8.447 0.438 0.070 345 HE1 HIS 17 1HE HIS 17 -10.484 -2.337 2.545 346 H ARG 18 H ARG 18 -6.872 -2.738 -2.893 347 HA ARG 18 HA ARG 18 -9.486 -3.794 -3.102 348 1HB ARG 18 1HB ARG 18 -8.476 -2.137 -4.629 349 2HB ARG 18 2HB ARG 18 -7.438 -3.399 -5.317 350 1HG ARG 18 1HG ARG 18 -9.462 -4.652 -6.058 351 2HG ARG 18 2HG ARG 18 -10.494 -3.425 -5.305 352 1HD ARG 18 1HD ARG 18 -9.477 -1.702 -6.855 353 2HD ARG 18 2HD ARG 18 -8.510 -2.984 -7.580 354 HE ARG 18 HE ARG 18 -10.330 -3.751 -8.753 355 1HH1 ARG 18 1HH1 ARG 18 -11.521 -1.573 -6.257 356 2HH1 ARG 18 2HH1 ARG 18 -13.154 -1.543 -6.886 357 1HH2 ARG 18 1HH2 ARG 18 -12.423 -3.727 -9.542 358 2HH2 ARG 18 2HH2 ARG 18 -13.668 -2.787 -8.755 359 H LYS 19 H LYS 19 -6.349 -5.339 -4.027 360 HA LYS 19 HA LYS 19 -7.449 -7.807 -4.891 361 1HB LYS 19 1HB LYS 19 -5.149 -7.199 -5.329 362 2HB LYS 19 2HB LYS 19 -4.776 -7.124 -3.606 363 1HG LYS 19 1HG LYS 19 -3.892 -9.155 -4.630 364 2HG LYS 19 2HG LYS 19 -5.060 -9.544 -3.369 365 1HD LYS 19 1HD LYS 19 -6.799 -9.997 -5.084 366 2HD LYS 19 2HD LYS 19 -5.679 -9.492 -6.367 367 1HE LYS 19 1HE LYS 19 -4.151 -11.356 -5.748 368 2HE LYS 19 2HE LYS 19 -5.251 -11.826 -4.437 369 1HZ LYS 19 1HZ LYS 19 -5.915 -11.809 -7.298 370 2HZ LYS 19 2HZ LYS 19 -5.586 -13.144 -6.391 371 3HZ LYS 19 3HZ LYS 19 -6.932 -12.246 -6.079 372 H LEU 20 H LEU 20 -6.321 -6.825 -1.620 373 HA LEU 20 HA LEU 20 -7.052 -9.273 -0.326 374 1HB LEU 20 1HB LEU 20 -6.743 -6.464 0.760 375 2HB LEU 20 2HB LEU 20 -6.879 -7.918 1.757 376 HG LEU 20 HG LEU 20 -4.663 -7.543 -0.314 377 1HD1 LEU 20 1HD1 LEU 20 -3.233 -6.958 1.623 378 2HD1 LEU 20 2HD1 LEU 20 -4.523 -5.770 1.359 379 3HD1 LEU 20 3HD1 LEU 20 -4.676 -6.962 2.658 380 1HD2 LEU 20 1HD2 LEU 20 -5.004 -9.503 1.982 381 2HD2 LEU 20 2HD2 LEU 20 -4.985 -9.883 0.249 382 3HD2 LEU 20 3HD2 LEU 20 -3.522 -9.282 1.032 383 H LYS 21 H LYS 21 -8.990 -6.329 -0.964 384 HA LYS 21 HA LYS 21 -11.354 -7.213 0.397 385 1HB LYS 21 1HB LYS 21 -10.949 -4.896 -0.423 386 2HB LYS 21 2HB LYS 21 -11.091 -5.478 -2.084 387 1HG LYS 21 1HG LYS 21 -13.430 -6.156 -1.687 388 2HG LYS 21 2HG LYS 21 -13.278 -5.736 0.019 389 1HD LYS 21 1HD LYS 21 -14.471 -3.986 -1.251 390 2HD LYS 21 2HD LYS 21 -12.995 -3.376 -0.499 391 1HE LYS 21 1HE LYS 21 -13.351 -2.519 -2.813 392 2HE LYS 21 2HE LYS 21 -11.819 -3.373 -2.628 393 1HZ LYS 21 1HZ LYS 21 -14.278 -4.517 -3.766 394 2HZ LYS 21 2HZ LYS 21 -12.973 -3.997 -4.630 395 3HZ LYS 21 3HZ LYS 21 -12.831 -5.293 -3.624 396 H ASN 22 H ASN 22 -10.224 -7.684 -2.976 397 HA ASN 22 HA ASN 22 -12.431 -9.236 -3.874 398 1HB ASN 22 1HB ASN 22 -10.515 -8.110 -5.197 399 2HB ASN 22 2HB ASN 22 -9.587 -9.581 -4.886 400 1HD2 ASN 22 1HD2 ASN 22 -11.977 -11.452 -5.174 401 2HD2 ASN 22 2HD2 ASN 22 -12.315 -11.360 -6.897 402 H CYS 23 H CYS 23 -9.456 -10.180 -2.167 403 HA CYS 23 HA CYS 23 -9.943 -13.035 -2.086 404 1HB CYS 23 1HB CYS 23 -7.742 -11.922 -1.703 405 2HB CYS 23 2HB CYS 23 -8.411 -11.194 -0.248 406 H LYS 24 H LYS 24 -12.409 -12.373 -1.701 407 HA LYS 24 HA LYS 24 -13.098 -11.603 0.992 408 1HB LYS 24 1HB LYS 24 -14.252 -10.966 -1.192 409 2HB LYS 24 2HB LYS 24 -14.923 -12.595 -1.222 410 1HG LYS 24 1HG LYS 24 -16.587 -11.189 -0.333 411 2HG LYS 24 2HG LYS 24 -15.977 -12.081 1.062 412 1HD LYS 24 1HD LYS 24 -14.550 -10.110 1.680 413 2HD LYS 24 2HD LYS 24 -15.137 -9.239 0.261 414 1HE LYS 24 1HE LYS 24 -16.872 -10.250 2.574 415 2HE LYS 24 2HE LYS 24 -16.280 -8.591 2.393 416 1HZ LYS 24 1HZ LYS 24 -18.494 -8.785 1.588 417 2HZ LYS 24 2HZ LYS 24 -17.486 -8.449 0.328 418 3HZ LYS 24 3HZ LYS 24 -18.076 -9.974 0.530 419 H VAL 25 H VAL 25 -11.727 -13.644 1.649 420 HA VAL 25 HA VAL 25 -13.529 -16.014 2.063 421 HB VAL 25 HB VAL 25 -11.534 -17.280 2.560 422 1HG1 VAL 25 1HG1 VAL 25 -10.587 -17.365 0.317 423 2HG1 VAL 25 2HG1 VAL 25 -12.340 -17.117 0.217 424 3HG1 VAL 25 3HG1 VAL 25 -11.230 -15.757 -0.065 425 1HG2 VAL 25 1HG2 VAL 25 -10.098 -15.476 3.500 426 2HG2 VAL 25 2HG2 VAL 25 -9.284 -16.393 2.225 427 3HG2 VAL 25 3HG2 VAL 25 -9.932 -14.784 1.872 428 1H GLU 1 1H GLU 1 -1.524 17.355 10.292 429 2H GLU 1 2H GLU 1 -0.421 16.647 9.276 430 3H GLU 1 3H GLU 1 -1.879 15.927 9.560 431 HA GLU 1 HA GLU 1 -3.104 17.582 8.504 432 1HB GLU 1 1HB GLU 1 -0.430 18.877 7.910 433 2HB GLU 1 2HB GLU 1 -2.002 19.422 7.323 434 1HG GLU 1 1HG GLU 1 -2.744 19.870 9.646 435 2HG GLU 1 2HG GLU 1 -1.175 19.335 10.271 436 H ASN 2 H ASN 2 0.112 16.431 7.378 437 HA ASN 2 HA ASN 2 -0.872 15.841 4.678 438 1HB ASN 2 1HB ASN 2 1.474 16.477 5.022 439 2HB ASN 2 2HB ASN 2 1.712 15.114 6.129 440 1HD2 ASN 2 1HD2 ASN 2 3.495 14.474 4.527 441 2HD2 ASN 2 2HD2 ASN 2 2.975 13.542 3.138 442 H ARG 3 H ARG 3 -2.353 14.190 4.508 443 HA ARG 3 HA ARG 3 -2.188 11.848 6.297 444 1HB ARG 3 1HB ARG 3 -4.333 13.231 5.490 445 2HB ARG 3 2HB ARG 3 -4.256 12.103 4.138 446 1HG ARG 3 1HG ARG 3 -5.525 10.809 5.585 447 2HG ARG 3 2HG ARG 3 -3.924 10.340 6.176 448 1HD ARG 3 1HD ARG 3 -4.216 12.462 7.749 449 2HD ARG 3 2HD ARG 3 -5.929 12.286 7.348 450 HE ARG 3 HE ARG 3 -4.765 9.763 8.205 451 1HH1 ARG 3 1HH1 ARG 3 -5.880 12.832 9.540 452 2HH1 ARG 3 2HH1 ARG 3 -6.109 12.172 11.140 453 1HH2 ARG 3 1HH2 ARG 3 -5.032 8.953 10.183 454 2HH2 ARG 3 2HH2 ARG 3 -5.704 9.903 11.510 455 H GLU 4 H GLU 4 -0.169 12.307 4.045 456 HA GLU 4 HA GLU 4 -0.457 10.397 1.998 457 1HB GLU 4 1HB GLU 4 1.098 12.164 1.934 458 2HB GLU 4 2HB GLU 4 1.895 11.651 3.426 459 1HG GLU 4 1HG GLU 4 2.923 9.766 2.338 460 2HG GLU 4 2HG GLU 4 1.969 10.020 0.865 461 H VAL 5 H VAL 5 0.443 8.325 1.673 462 HA VAL 5 HA VAL 5 0.292 6.430 3.788 463 HB VAL 5 HB VAL 5 1.728 6.211 1.128 464 1HG1 VAL 5 1HG1 VAL 5 0.622 4.079 3.016 465 2HG1 VAL 5 2HG1 VAL 5 1.281 3.775 1.396 466 3HG1 VAL 5 3HG1 VAL 5 2.340 4.387 2.672 467 1HG2 VAL 5 1HG2 VAL 5 -0.408 5.078 0.392 468 2HG2 VAL 5 2HG2 VAL 5 -1.170 5.684 1.877 469 3HG2 VAL 5 3HG2 VAL 5 -0.549 6.816 0.651 470 HA PRO 6 HA PRO 6 4.331 7.677 5.360 471 1HB PRO 6 1HB PRO 6 4.426 6.342 7.727 472 2HB PRO 6 2HB PRO 6 3.276 7.675 7.431 473 1HG PRO 6 1HG PRO 6 2.738 4.700 7.150 474 2HG PRO 6 2HG PRO 6 1.790 5.896 8.076 475 1HD PRO 6 1HD PRO 6 1.107 5.172 5.542 476 2HD PRO 6 2HD PRO 6 0.911 6.859 6.110 477 HA PRO 7 HA PRO 7 7.267 4.476 4.043 478 1HB PRO 7 1HB PRO 7 8.770 5.601 6.427 479 2HB PRO 7 2HB PRO 7 9.417 5.121 4.831 480 1HG PRO 7 1HG PRO 7 8.940 7.734 5.329 481 2HG PRO 7 2HG PRO 7 8.388 7.027 3.781 482 1HD PRO 7 1HD PRO 7 6.748 7.580 6.263 483 2HD PRO 7 2HD PRO 7 6.366 7.891 4.538 484 H GLY 8 H GLY 8 6.443 4.916 7.489 485 1HA GLY 8 1HA GLY 8 7.023 2.466 8.644 486 2HA GLY 8 2HA GLY 8 5.589 3.431 9.012 487 H PHE 9 H PHE 9 4.304 3.167 6.394 488 HA PHE 9 HA PHE 9 3.006 0.585 6.733 489 1HB PHE 9 1HB PHE 9 1.688 2.402 5.916 490 2HB PHE 9 2HB PHE 9 2.829 2.750 4.620 491 HD1 PHE 9 1HD PHE 9 0.745 -0.115 5.871 492 HD2 PHE 9 2HD PHE 9 2.507 1.860 2.476 493 HE1 PHE 9 1HE PHE 9 -0.420 -1.691 4.343 494 HE2 PHE 9 2HE PHE 9 1.305 0.324 0.954 495 HZ PHE 9 HZ PHE 9 -0.124 -1.479 1.878 496 H THR 10 H THR 10 5.255 1.950 4.242 497 HA THR 10 HA THR 10 5.551 -0.395 2.702 498 HB THR 10 HB THR 10 7.731 1.657 3.291 499 HG1 THR 10 1HG THR 10 5.604 1.775 1.422 500 1HG2 THR 10 1HG2 THR 10 8.349 1.215 0.940 501 2HG2 THR 10 2HG2 THR 10 8.449 -0.271 1.902 502 3HG2 THR 10 3HG2 THR 10 7.069 -0.009 0.816 503 H ALA 11 H ALA 11 7.371 0.703 5.579 504 HA ALA 11 HA ALA 11 9.119 -1.541 5.785 505 1HB ALA 11 1HB ALA 11 9.430 0.680 6.865 506 2HB ALA 11 2HB ALA 11 8.123 0.284 8.001 507 3HB ALA 11 3HB ALA 11 9.619 -0.683 7.976 508 H LEU 12 H LEU 12 5.886 -0.947 7.289 509 HA LEU 12 HA LEU 12 5.620 -3.400 8.667 510 1HB LEU 12 1HB LEU 12 4.114 -1.523 8.898 511 2HB LEU 12 2HB LEU 12 3.458 -1.767 7.286 512 HG LEU 12 HG LEU 12 3.352 -4.010 9.332 513 1HD1 LEU 12 1HD1 LEU 12 1.514 -1.610 9.064 514 2HD1 LEU 12 2HD1 LEU 12 1.055 -3.093 9.921 515 3HD1 LEU 12 3HD1 LEU 12 2.417 -2.130 10.506 516 1HD2 LEU 12 1HD2 LEU 12 2.628 -4.645 7.048 517 2HD2 LEU 12 2HD2 LEU 12 1.223 -4.530 8.094 518 3HD2 LEU 12 3HD2 LEU 12 1.582 -3.213 6.962 519 H ILE 13 H ILE 13 4.581 -2.667 5.272 520 HA ILE 13 HA ILE 13 3.871 -5.336 4.614 521 HB ILE 13 HB ILE 13 4.887 -3.062 2.879 522 1HG1 ILE 13 1HG1 ILE 13 2.753 -2.568 4.000 523 2HG1 ILE 13 2HG1 ILE 13 2.573 -2.732 2.260 524 1HG2 ILE 13 1HG2 ILE 13 5.316 -5.031 1.594 525 2HG2 ILE 13 2HG2 ILE 13 3.761 -5.758 2.038 526 3HG2 ILE 13 3HG2 ILE 13 3.818 -4.331 0.980 527 1HD1 ILE 13 1HD1 ILE 13 1.745 -4.774 4.371 528 2HD1 ILE 13 2HD1 ILE 13 0.699 -3.783 3.354 529 3HD1 ILE 13 3HD1 ILE 13 1.669 -5.061 2.616 530 H LYS 14 H LYS 14 7.077 -3.752 4.150 531 HA LYS 14 HA LYS 14 8.402 -5.994 3.075 532 1HB LYS 14 1HB LYS 14 9.294 -3.689 3.202 533 2HB LYS 14 2HB LYS 14 9.537 -3.876 4.947 534 1HG LYS 14 1HG LYS 14 11.106 -5.761 4.522 535 2HG LYS 14 2HG LYS 14 10.826 -5.599 2.777 536 1HD LYS 14 1HD LYS 14 11.671 -3.245 2.882 537 2HD LYS 14 2HD LYS 14 12.023 -3.454 4.604 538 1HE LYS 14 1HE LYS 14 13.239 -5.102 2.326 539 2HE LYS 14 2HE LYS 14 14.034 -3.754 3.152 540 1HZ LYS 14 1HZ LYS 14 14.730 -5.830 4.051 541 2HZ LYS 14 2HZ LYS 14 13.887 -4.995 5.195 542 3HZ LYS 14 3HZ LYS 14 13.184 -6.265 4.413 543 H THR 15 H THR 15 8.132 -5.069 6.543 544 HA THR 15 HA THR 15 9.404 -7.470 7.476 545 HB THR 15 HB THR 15 8.499 -6.888 9.718 546 HG1 THR 15 1HG THR 15 7.502 -4.646 8.288 547 1HG2 THR 15 1HG2 THR 15 10.707 -6.153 8.905 548 2HG2 THR 15 2HG2 THR 15 9.970 -4.695 8.207 549 3HG2 THR 15 3HG2 THR 15 9.955 -4.955 9.966 550 H LEU 16 H LEU 16 6.027 -6.816 6.674 551 HA LEU 16 HA LEU 16 4.935 -9.247 7.708 552 1HB LEU 16 1HB LEU 16 3.733 -7.170 6.796 553 2HB LEU 16 2HB LEU 16 3.973 -7.832 5.187 554 HG LEU 16 HG LEU 16 2.594 -9.365 7.436 555 1HD1 LEU 16 1HD1 LEU 16 0.470 -8.599 6.466 556 2HD1 LEU 16 2HD1 LEU 16 1.422 -7.227 7.048 557 3HD1 LEU 16 3HD1 LEU 16 1.353 -7.575 5.307 558 1HD2 LEU 16 1HD2 LEU 16 3.227 -10.834 5.576 559 2HD2 LEU 16 2HD2 LEU 16 1.495 -10.535 5.492 560 3HD2 LEU 16 3HD2 LEU 16 2.586 -9.671 4.392 561 H ARG 17 H ARG 17 6.132 -8.450 4.399 562 HA ARG 17 HA ARG 17 6.008 -11.094 3.379 563 1HB ARG 17 1HB ARG 17 7.860 -8.784 2.667 564 2HB ARG 17 2HB ARG 17 7.804 -10.330 1.811 565 1HG ARG 17 1HG ARG 17 5.285 -9.943 1.487 566 2HG ARG 17 2HG ARG 17 5.545 -8.297 2.090 567 1HD ARG 17 1HD ARG 17 5.600 -8.293 -0.345 568 2HD ARG 17 2HD ARG 17 7.238 -7.955 0.264 569 HE ARG 17 HE ARG 17 6.918 -10.777 -0.101 570 1HH1 ARG 17 1HH1 ARG 17 7.239 -7.896 -2.096 571 2HH1 ARG 17 2HH1 ARG 17 8.034 -8.752 -3.400 572 1HH2 ARG 17 1HH2 ARG 17 7.934 -11.832 -1.675 573 2HH2 ARG 17 2HH2 ARG 17 8.425 -11.051 -3.174 574 H LYS 18 H LYS 18 8.746 -9.477 5.060 575 HA LYS 18 HA LYS 18 10.544 -11.650 5.117 576 1HB LYS 18 1HB LYS 18 11.053 -9.351 5.884 577 2HB LYS 18 2HB LYS 18 9.975 -9.587 7.251 578 1HG LYS 18 1HG LYS 18 11.568 -11.667 7.791 579 2HG LYS 18 2HG LYS 18 12.654 -10.854 6.680 580 1HD LYS 18 1HD LYS 18 13.346 -10.019 8.717 581 2HD LYS 18 2HD LYS 18 12.225 -8.739 8.234 582 1HE LYS 18 1HE LYS 18 11.595 -11.104 10.094 583 2HE LYS 18 2HE LYS 18 12.018 -9.477 10.640 584 1HZ LYS 18 1HZ LYS 18 9.636 -10.247 9.112 585 2HZ LYS 18 2HZ LYS 18 9.685 -9.770 10.684 586 3HZ LYS 18 3HZ LYS 18 10.041 -8.696 9.486 587 H CYS 19 H CYS 19 8.108 -10.848 7.689 588 HA CYS 19 HA CYS 19 8.490 -13.130 9.286 589 1HB CYS 19 1HB CYS 19 7.139 -11.095 9.894 590 2HB CYS 19 2HB CYS 19 5.886 -11.646 8.776 591 H LYS 20 H LYS 20 6.313 -12.692 6.517 592 HA LYS 20 HA LYS 20 5.183 -15.355 6.548 593 1HB LYS 20 1HB LYS 20 4.092 -13.268 5.754 594 2HB LYS 20 2HB LYS 20 5.241 -13.190 4.410 595 1HG LYS 20 1HG LYS 20 4.324 -15.275 3.476 596 2HG LYS 20 2HG LYS 20 3.274 -15.466 4.896 597 1HD LYS 20 1HD LYS 20 2.104 -13.352 4.297 598 2HD LYS 20 2HD LYS 20 3.247 -13.087 2.971 599 1HE LYS 20 1HE LYS 20 1.160 -13.978 2.074 600 2HE LYS 20 2HE LYS 20 2.458 -15.161 1.850 601 1HZ LYS 20 1HZ LYS 20 0.441 -16.160 2.661 602 2HZ LYS 20 2HZ LYS 20 1.647 -16.326 3.768 603 3HZ LYS 20 3HZ LYS 20 0.459 -15.211 4.008 604 H ILE 21 H ILE 21 8.280 -14.293 5.584 605 HA ILE 21 HA ILE 21 9.951 -15.095 4.374 606 HB ILE 21 HB ILE 21 8.355 -17.588 3.687 607 1HG1 ILE 21 1HG1 ILE 21 8.369 -17.457 6.111 608 2HG1 ILE 21 2HG1 ILE 21 9.468 -18.706 5.548 609 1HG2 ILE 21 1HG2 ILE 21 10.613 -18.581 3.443 610 2HG2 ILE 21 2HG2 ILE 21 10.283 -17.298 2.276 611 3HG2 ILE 21 3HG2 ILE 21 11.328 -16.970 3.668 612 1HD1 ILE 21 1HD1 ILE 21 10.433 -17.468 7.411 613 2HD1 ILE 21 2HD1 ILE 21 11.408 -17.196 5.959 614 3HD1 ILE 21 3HD1 ILE 21 10.290 -15.939 6.538 615 H ILE 22 H ILE 22 6.911 -15.887 2.677 616 HA ILE 22 HA ILE 22 7.919 -15.176 0.053 617 HB ILE 22 HB ILE 22 5.070 -15.518 1.065 618 1HG1 ILE 22 1HG1 ILE 22 6.930 -17.484 -0.356 619 2HG1 ILE 22 2HG1 ILE 22 6.497 -17.545 1.357 620 1HG2 ILE 22 1HG2 ILE 22 4.471 -15.803 -1.315 621 2HG2 ILE 22 2HG2 ILE 22 5.183 -14.221 -1.068 622 3HG2 ILE 22 3HG2 ILE 22 6.158 -15.518 -1.789 623 1HD1 ILE 22 1HD1 ILE 22 5.147 -19.146 0.255 624 2HD1 ILE 22 2HD1 ILE 22 4.087 -17.799 0.714 625 3HD1 ILE 22 3HD1 ILE 22 4.615 -17.996 -0.977 626 1H ASN 1 1H ASN 1 -13.662 10.437 15.672 627 2H ASN 1 2H ASN 1 -14.558 11.724 16.170 628 3H ASN 1 3H ASN 1 -13.682 11.821 14.780 629 HA ASN 1 HA ASN 1 -12.626 13.037 16.532 630 1HB ASN 1 1HB ASN 1 -13.575 11.788 18.361 631 2HB ASN 1 2HB ASN 1 -12.624 10.361 17.960 632 1HD2 ASN 1 1HD2 ASN 1 -12.569 11.579 20.532 633 2HD2 ASN 1 2HD2 ASN 1 -10.983 12.305 20.749 634 H LEU 2 H LEU 2 -11.368 13.301 14.701 635 HA LEU 2 HA LEU 2 -9.635 11.455 13.500 636 1HB LEU 2 1HB LEU 2 -9.306 14.466 13.800 637 2HB LEU 2 2HB LEU 2 -8.434 13.456 12.643 638 HG LEU 2 HG LEU 2 -11.461 13.884 12.669 639 1HD1 LEU 2 1HD1 LEU 2 -11.041 15.209 10.642 640 2HD1 LEU 2 2HD1 LEU 2 -10.178 15.896 12.029 641 3HD1 LEU 2 3HD1 LEU 2 -9.292 14.950 10.814 642 1HD2 LEU 2 1HD2 LEU 2 -9.645 12.382 10.724 643 2HD2 LEU 2 2HD2 LEU 2 -10.951 11.684 11.709 644 3HD2 LEU 2 3HD2 LEU 2 -11.338 12.809 10.406 645 H VAL 3 H VAL 3 -9.012 13.430 16.406 646 HA VAL 3 HA VAL 3 -6.185 12.925 16.507 647 HB VAL 3 HB VAL 3 -8.135 13.586 18.756 648 1HG1 VAL 3 1HG1 VAL 3 -5.091 13.751 18.621 649 2HG1 VAL 3 2HG1 VAL 3 -6.099 14.408 19.925 650 3HG1 VAL 3 3HG1 VAL 3 -6.036 12.662 19.660 651 1HG2 VAL 3 1HG2 VAL 3 -6.345 15.368 17.042 652 2HG2 VAL 3 2HG2 VAL 3 -8.120 15.333 17.004 653 3HG2 VAL 3 3HG2 VAL 3 -7.283 15.898 18.452 654 H SER 4 H SER 4 -8.947 11.329 18.176 655 HA SER 4 HA SER 4 -7.426 9.248 19.376 656 1HB SER 4 1HB SER 4 -9.448 8.078 19.743 657 2HB SER 4 2HB SER 4 -9.759 9.801 19.978 658 HG SER 4 HG SER 4 -10.498 9.687 17.650 659 H GLY 5 H GLY 5 -9.193 9.249 16.235 660 1HA GLY 5 1HA GLY 5 -8.482 6.744 15.232 661 2HA GLY 5 2HA GLY 5 -8.698 8.198 14.244 662 H LEU 6 H LEU 6 -6.631 9.798 14.843 663 HA LEU 6 HA LEU 6 -4.417 8.792 13.454 664 1HB LEU 6 1HB LEU 6 -4.903 11.162 13.660 665 2HB LEU 6 2HB LEU 6 -4.681 11.107 15.409 666 HG LEU 6 HG LEU 6 -2.266 10.566 15.098 667 1HD1 LEU 6 1HD1 LEU 6 -2.297 9.467 12.913 668 2HD1 LEU 6 2HD1 LEU 6 -2.965 10.929 12.151 669 3HD1 LEU 6 3HD1 LEU 6 -1.316 10.932 12.815 670 1HD2 LEU 6 1HD2 LEU 6 -2.994 12.862 15.441 671 2HD2 LEU 6 2HD2 LEU 6 -1.644 12.825 14.296 672 3HD2 LEU 6 3HD2 LEU 6 -3.301 13.059 13.707 673 H ILE 7 H ILE 7 -4.602 9.367 17.055 674 HA ILE 7 HA ILE 7 -2.009 8.203 17.421 675 HB ILE 7 HB ILE 7 -2.374 8.197 19.769 676 1HG1 ILE 7 1HG1 ILE 7 -5.272 8.850 19.176 677 2HG1 ILE 7 2HG1 ILE 7 -4.663 7.375 19.940 678 1HG2 ILE 7 1HG2 ILE 7 -3.569 10.727 18.572 679 2HG2 ILE 7 2HG2 ILE 7 -2.615 10.574 20.060 680 3HG2 ILE 7 3HG2 ILE 7 -1.850 10.297 18.496 681 1HD1 ILE 7 1HD1 ILE 7 -4.606 10.173 21.119 682 2HD1 ILE 7 2HD1 ILE 7 -5.542 8.774 21.663 683 3HD1 ILE 7 3HD1 ILE 7 -3.774 8.764 21.827 684 H GLU 8 H GLU 8 -5.259 6.666 17.650 685 HA GLU 8 HA GLU 8 -4.252 4.096 18.426 686 1HB GLU 8 1HB GLU 8 -6.747 4.895 16.874 687 2HB GLU 8 2HB GLU 8 -6.417 3.261 17.465 688 1HG GLU 8 1HG GLU 8 -6.735 5.747 19.215 689 2HG GLU 8 2HG GLU 8 -7.914 4.452 19.006 690 H ALA 9 H ALA 9 -4.844 5.463 15.140 691 HA ALA 9 HA ALA 9 -3.981 3.197 13.679 692 1HB ALA 9 1HB ALA 9 -3.639 4.773 11.830 693 2HB ALA 9 2HB ALA 9 -5.165 5.088 12.672 694 3HB ALA 9 3HB ALA 9 -3.764 6.146 12.952 695 H ARG 10 H ARG 10 -2.033 6.014 14.814 696 HA ARG 10 HA ARG 10 0.512 5.134 13.891 697 1HB ARG 10 1HB ARG 10 -0.334 6.805 16.281 698 2HB ARG 10 2HB ARG 10 1.359 6.493 15.882 699 1HG ARG 10 1HG ARG 10 1.149 7.573 13.726 700 2HG ARG 10 2HG ARG 10 -0.598 7.807 13.949 701 1HD ARG 10 1HD ARG 10 -0.221 9.238 15.875 702 2HD ARG 10 2HD ARG 10 1.531 8.927 15.826 703 HE ARG 10 HE ARG 10 0.904 9.972 13.318 704 1HH1 ARG 10 1HH1 ARG 10 0.710 11.065 16.655 705 2HH1 ARG 10 2HH1 ARG 10 0.944 12.751 16.255 706 1HH2 ARG 10 1HH2 ARG 10 1.250 12.186 12.796 707 2HH2 ARG 10 2HH2 ARG 10 1.249 13.367 14.078 708 H LYS 11 H LYS 11 -0.980 4.582 17.143 709 HA LYS 11 HA LYS 11 1.124 2.952 18.147 710 1HB LYS 11 1HB LYS 11 -1.831 3.095 18.815 711 2HB LYS 11 2HB LYS 11 -0.677 2.088 19.711 712 1HG LYS 11 1HG LYS 11 0.719 4.086 20.189 713 2HG LYS 11 2HG LYS 11 -0.481 5.119 19.412 714 1HD LYS 11 1HD LYS 11 -0.951 3.350 21.864 715 2HD LYS 11 2HD LYS 11 -0.696 5.102 21.878 716 1HE LYS 11 1HE LYS 11 -2.761 5.359 20.438 717 2HE LYS 11 2HE LYS 11 -3.057 3.620 20.630 718 1HZ LYS 11 1HZ LYS 11 -3.147 3.962 22.991 719 2HZ LYS 11 2HZ LYS 11 -2.926 5.586 22.799 720 3HZ LYS 11 3HZ LYS 11 -4.282 4.857 22.197 721 H TYR 12 H TYR 12 -1.915 1.942 16.472 722 HA TYR 12 HA TYR 12 -1.330 -0.837 16.559 723 1HB TYR 12 1HB TYR 12 -3.546 0.154 16.044 724 2HB TYR 12 2HB TYR 12 -2.948 0.655 14.464 725 HD1 TYR 12 1HD TYR 12 -2.531 -1.035 12.693 726 HD2 TYR 12 2HD TYR 12 -3.792 -2.242 16.633 727 HE1 TYR 12 1HE TYR 12 -2.833 -3.362 11.890 728 HE2 TYR 12 2HE TYR 12 -4.145 -4.550 15.812 729 HH TYR 12 HH TYR 12 -3.978 -5.941 14.078 730 H LEU 13 H LEU 13 -0.666 1.551 13.940 731 HA LEU 13 HA LEU 13 0.657 -0.096 12.101 732 1HB LEU 13 1HB LEU 13 0.078 2.209 11.626 733 2HB LEU 13 2HB LEU 13 1.117 2.797 12.919 734 HG LEU 13 HG LEU 13 3.130 2.095 11.693 735 1HD1 LEU 13 1HD1 LEU 13 2.924 1.385 9.316 736 2HD1 LEU 13 2HD1 LEU 13 2.262 0.186 10.428 737 3HD1 LEU 13 3HD1 LEU 13 1.166 1.248 9.512 738 1HD2 LEU 13 1HD2 LEU 13 2.189 4.357 11.376 739 2HD2 LEU 13 2HD2 LEU 13 2.967 3.766 9.896 740 3HD2 LEU 13 3HD2 LEU 13 1.195 3.760 10.028 741 H GLU 14 H GLU 14 2.156 1.780 14.767 742 HA GLU 14 HA GLU 14 4.778 0.778 14.573 743 1HB GLU 14 1HB GLU 14 4.100 2.726 15.853 744 2HB GLU 14 2HB GLU 14 3.193 1.742 16.996 745 1HG GLU 14 1HG GLU 14 6.203 1.440 16.535 746 2HG GLU 14 2HG GLU 14 5.508 2.537 17.733 747 H GLN 15 H GLN 15 2.198 -0.419 16.804 748 HA GLN 15 HA GLN 15 3.665 -2.541 17.893 749 1HB GLN 15 1HB GLN 15 1.609 -1.622 18.802 750 2HB GLN 15 2HB GLN 15 0.651 -2.279 17.472 751 1HG GLN 15 1HG GLN 15 2.329 -4.133 19.218 752 2HG GLN 15 2HG GLN 15 0.793 -3.496 19.805 753 1HE2 GLN 15 1HE2 GLN 15 2.222 -5.628 17.306 754 2HE2 GLN 15 2HE2 GLN 15 0.679 -6.431 17.000 755 H LEU 16 H LEU 16 1.496 -2.604 15.044 756 HA LEU 16 HA LEU 16 1.718 -5.421 14.628 757 1HB LEU 16 1HB LEU 16 -0.076 -3.714 13.892 758 2HB LEU 16 2HB LEU 16 0.969 -3.355 12.525 759 HG LEU 16 HG LEU 16 -0.852 -4.858 11.972 760 1HD1 LEU 16 1HD1 LEU 16 0.298 -6.646 10.856 761 2HD1 LEU 16 2HD1 LEU 16 1.327 -5.201 10.802 762 3HD1 LEU 16 3HD1 LEU 16 1.678 -6.507 11.953 763 1HD2 LEU 16 1HD2 LEU 16 -1.123 -5.870 14.262 764 2HD2 LEU 16 2HD2 LEU 16 -1.209 -7.025 12.919 765 3HD2 LEU 16 3HD2 LEU 16 0.256 -6.933 13.905 766 H HIS 17 H HIS 17 3.309 -2.625 12.978 767 HA HIS 17 HA HIS 17 5.068 -4.088 11.306 768 1HB HIS 17 1HB HIS 17 4.691 -1.667 11.167 769 2HB HIS 17 2HB HIS 17 5.431 -1.441 12.751 770 HD1 HIS 17 1HD HIS 17 7.322 -3.804 10.396 771 HD2 HIS 17 2HD HIS 17 7.187 0.249 11.588 772 HE1 HIS 17 1HE HIS 17 9.495 -2.719 9.627 773 H ARG 18 H ARG 18 5.545 -2.989 14.707 774 HA ARG 18 HA ARG 18 8.128 -4.061 15.067 775 1HB ARG 18 1HB ARG 18 7.027 -2.454 16.604 776 2HB ARG 18 2HB ARG 18 5.951 -3.745 17.174 777 1HG ARG 18 1HG ARG 18 8.008 -5.065 17.810 778 2HG ARG 18 2HG ARG 18 8.999 -3.674 17.348 779 1HD ARG 18 1HD ARG 18 7.764 -2.321 19.071 780 2HD ARG 18 2HD ARG 18 6.928 -3.783 19.596 781 HE ARG 18 HE ARG 18 9.613 -2.958 20.234 782 1HH1 ARG 18 1HH1 ARG 18 7.729 -5.898 19.753 783 2HH1 ARG 18 2HH1 ARG 18 9.055 -6.956 20.200 784 1HH2 ARG 18 1HH2 ARG 18 11.198 -4.324 21.070 785 2HH2 ARG 18 2HH2 ARG 18 10.917 -6.050 21.154 786 H LYS 19 H LYS 19 4.941 -5.598 15.840 787 HA LYS 19 HA LYS 19 5.904 -8.075 16.754 788 1HB LYS 19 1HB LYS 19 3.586 -7.364 16.929 789 2HB LYS 19 2HB LYS 19 3.379 -7.452 15.171 790 1HG LYS 19 1HG LYS 19 3.781 -9.892 15.224 791 2HG LYS 19 2HG LYS 19 4.103 -9.808 16.968 792 1HD LYS 19 1HD LYS 19 1.780 -9.050 17.375 793 2HD LYS 19 2HD LYS 19 1.480 -8.981 15.631 794 1HE LYS 19 1HE LYS 19 0.511 -11.027 16.543 795 2HE LYS 19 2HE LYS 19 1.844 -11.433 15.452 796 1HZ LYS 19 1HZ LYS 19 2.011 -11.324 18.386 797 2HZ LYS 19 2HZ LYS 19 1.903 -12.696 17.481 798 3HZ LYS 19 3HZ LYS 19 3.237 -11.738 17.367 799 H LEU 20 H LEU 20 5.093 -7.140 13.379 800 HA LEU 20 HA LEU 20 5.952 -9.566 12.120 801 1HB LEU 20 1HB LEU 20 5.599 -6.700 11.272 802 2HB LEU 20 2HB LEU 20 6.356 -7.846 10.172 803 HG LEU 20 HG LEU 20 4.483 -9.138 9.885 804 1HD1 LEU 20 1HD1 LEU 20 3.720 -9.685 12.087 805 2HD1 LEU 20 2HD1 LEU 20 3.242 -8.014 12.414 806 3HD1 LEU 20 3HD1 LEU 20 2.373 -8.971 11.204 807 1HD2 LEU 20 1HD2 LEU 20 2.726 -7.517 9.268 808 2HD2 LEU 20 2HD2 LEU 20 3.435 -6.317 10.373 809 3HD2 LEU 20 3HD2 LEU 20 4.335 -6.830 8.946 810 H LYS 21 H LYS 21 7.864 -6.534 12.649 811 HA LYS 21 HA LYS 21 10.316 -7.497 11.678 812 1HB LYS 21 1HB LYS 21 9.958 -5.173 12.304 813 2HB LYS 21 2HB LYS 21 9.731 -5.614 13.992 814 1HG LYS 21 1HG LYS 21 11.932 -4.656 13.636 815 2HG LYS 21 2HG LYS 21 12.056 -6.321 14.205 816 1HD LYS 21 1HD LYS 21 12.540 -7.085 11.870 817 2HD LYS 21 2HD LYS 21 12.292 -5.430 11.284 818 1HE LYS 21 1HE LYS 21 14.674 -5.879 11.476 819 2HE LYS 21 2HE LYS 21 14.223 -4.677 12.695 820 1HZ LYS 21 1HZ LYS 21 14.549 -7.564 13.174 821 2HZ LYS 21 2HZ LYS 21 15.649 -6.400 13.565 822 3HZ LYS 21 3HZ LYS 21 14.184 -6.435 14.315 823 H ASN 22 H ASN 22 8.885 -7.943 14.905 824 HA ASN 22 HA ASN 22 11.101 -9.332 16.091 825 1HB ASN 22 1HB ASN 22 8.174 -9.056 16.825 826 2HB ASN 22 2HB ASN 22 9.243 -10.145 17.704 827 1HD2 ASN 22 1HD2 ASN 22 9.457 -6.734 16.482 828 2HD2 ASN 22 2HD2 ASN 22 10.151 -6.145 17.997 829 H CYS 23 H CYS 23 8.846 -10.521 13.683 830 HA CYS 23 HA CYS 23 9.097 -13.313 14.331 831 1HB CYS 23 1HB CYS 23 8.990 -12.090 11.557 832 2HB CYS 23 2HB CYS 23 8.639 -13.757 12.021 833 H LYS 24 H LYS 24 11.342 -10.957 12.978 834 HA LYS 24 HA LYS 24 13.507 -10.968 12.534 835 1HB LYS 24 1HB LYS 24 13.531 -12.041 14.773 836 2HB LYS 24 2HB LYS 24 13.716 -13.625 13.999 837 1HG LYS 24 1HG LYS 24 15.789 -12.785 12.859 838 2HG LYS 24 2HG LYS 24 15.624 -11.255 13.720 839 1HD LYS 24 1HD LYS 24 16.041 -14.028 14.943 840 2HD LYS 24 2HD LYS 24 17.255 -12.753 14.817 841 1HE LYS 24 1HE LYS 24 14.741 -12.716 16.555 842 2HE LYS 24 2HE LYS 24 16.415 -12.846 17.093 843 1HZ LYS 24 1HZ LYS 24 16.813 -10.657 16.203 844 2HZ LYS 24 2HZ LYS 24 15.237 -10.529 15.735 845 3HZ LYS 24 3HZ LYS 24 15.614 -10.632 17.334 846 H VAL 25 H VAL 25 12.571 -14.402 12.034 847 HA VAL 25 HA VAL 25 14.190 -14.696 9.642 848 HB VAL 25 HB VAL 25 13.484 -16.557 11.158 849 1HG1 VAL 25 1HG1 VAL 25 11.299 -17.587 10.922 850 2HG1 VAL 25 2HG1 VAL 25 11.077 -15.914 11.449 851 3HG1 VAL 25 3HG1 VAL 25 10.777 -16.361 9.757 852 1HG2 VAL 25 1HG2 VAL 25 14.379 -16.986 8.910 853 2HG2 VAL 25 2HG2 VAL 25 13.162 -18.191 9.364 854 3HG2 VAL 25 3HG2 VAL 25 12.744 -16.899 8.224 Start of MODEL 24 1 1H GLU 1 1H GLU 1 7.593 8.599 14.700 2 2H GLU 1 2H GLU 1 7.078 9.244 16.122 3 3H GLU 1 3H GLU 1 8.671 9.337 15.709 4 HA GLU 1 HA GLU 1 7.595 11.418 15.432 5 1HB GLU 1 1HB GLU 1 9.510 10.727 14.025 6 2HB GLU 1 2HB GLU 1 8.402 10.086 12.811 7 1HG GLU 1 1HG GLU 1 9.368 12.296 12.219 8 2HG GLU 1 2HG GLU 1 7.616 12.349 12.269 9 H ASN 2 H ASN 2 6.230 12.725 13.958 10 HA ASN 2 HA ASN 2 3.535 11.866 14.178 11 1HB ASN 2 1HB ASN 2 4.868 14.349 13.028 12 2HB ASN 2 2HB ASN 2 3.117 14.162 13.096 13 1HD2 ASN 2 1HD2 ASN 2 6.035 14.583 15.091 14 2HD2 ASN 2 2HD2 ASN 2 5.113 14.945 16.549 15 H ARG 3 H ARG 3 4.053 9.937 12.751 16 HA ARG 3 HA ARG 3 3.748 10.183 9.892 17 1HB ARG 3 1HB ARG 3 3.520 7.743 9.984 18 2HB ARG 3 2HB ARG 3 4.868 8.328 10.963 19 1HG ARG 3 1HG ARG 3 3.078 8.229 12.951 20 2HG ARG 3 2HG ARG 3 2.242 7.123 11.855 21 1HD ARG 3 1HD ARG 3 4.185 5.656 11.806 22 2HD ARG 3 2HD ARG 3 5.156 6.812 12.723 23 HE ARG 3 HE ARG 3 3.097 4.993 13.754 24 1HH1 ARG 3 1HH1 ARG 3 4.840 8.025 14.546 25 2HH1 ARG 3 2HH1 ARG 3 4.806 7.661 16.249 26 1HH2 ARG 3 1HH2 ARG 3 2.952 4.716 15.928 27 2HH2 ARG 3 2HH2 ARG 3 3.771 5.790 17.051 28 H GLU 4 H GLU 4 1.902 10.734 8.809 29 HA GLU 4 HA GLU 4 -0.753 10.437 10.024 30 1HB GLU 4 1HB GLU 4 0.070 10.982 7.146 31 2HB GLU 4 2HB GLU 4 -1.571 11.091 7.794 32 1HG GLU 4 1HG GLU 4 0.799 12.844 8.590 33 2HG GLU 4 2HG GLU 4 -0.626 13.332 7.673 34 H VAL 5 H VAL 5 -2.399 9.003 9.194 35 HA VAL 5 HA VAL 5 -1.576 6.632 7.712 36 HB VAL 5 HB VAL 5 -0.617 5.933 9.681 37 1HG1 VAL 5 1HG1 VAL 5 -1.722 5.882 11.882 38 2HG1 VAL 5 2HG1 VAL 5 -1.426 7.520 11.308 39 3HG1 VAL 5 3HG1 VAL 5 -3.067 6.841 11.231 40 1HG2 VAL 5 1HG2 VAL 5 -2.077 4.259 8.594 41 2HG2 VAL 5 2HG2 VAL 5 -1.878 3.989 10.334 42 3HG2 VAL 5 3HG2 VAL 5 -3.389 4.682 9.721 43 HA PRO 6 HA PRO 6 -5.881 7.676 7.056 44 1HB PRO 6 1HB PRO 6 -6.254 6.706 4.563 45 2HB PRO 6 2HB PRO 6 -5.108 8.036 4.898 46 1HG PRO 6 1HG PRO 6 -4.457 5.065 4.684 47 2HG PRO 6 2HG PRO 6 -3.687 6.389 3.770 48 1HD PRO 6 1HD PRO 6 -2.609 5.431 6.065 49 2HD PRO 6 2HD PRO 6 -2.547 7.180 5.671 50 HA PRO 7 HA PRO 7 -8.412 4.127 8.273 51 1HB PRO 7 1HB PRO 7 -10.160 5.106 5.992 52 2HB PRO 7 2HB PRO 7 -10.666 4.504 7.598 53 1HG PRO 7 1HG PRO 7 -10.521 7.170 7.173 54 2HG PRO 7 2HG PRO 7 -9.817 6.486 8.668 55 1HD PRO 7 1HD PRO 7 -8.375 7.336 6.151 56 2HD PRO 7 2HD PRO 7 -7.940 7.590 7.868 57 H GLY 8 H GLY 8 -8.000 4.640 4.752 58 1HA GLY 8 1HA GLY 8 -8.303 2.183 3.607 59 2HA GLY 8 2HA GLY 8 -7.000 3.303 3.189 60 H PHE 9 H PHE 9 -5.520 3.106 5.690 61 HA PHE 9 HA PHE 9 -3.957 0.710 5.184 62 1HB PHE 9 1HB PHE 9 -2.784 2.567 6.062 63 2HB PHE 9 2HB PHE 9 -3.966 2.833 7.337 64 HD1 PHE 9 1HD PHE 9 -3.559 2.083 9.497 65 HD2 PHE 9 2HD PHE 9 -1.725 0.059 6.169 66 HE1 PHE 9 1HE PHE 9 -2.322 0.639 11.066 67 HE2 PHE 9 2HE PHE 9 -0.563 -1.468 7.745 68 HZ PHE 9 HZ PHE 9 -0.883 -1.196 10.204 69 H THR 10 H THR 10 -6.080 1.660 7.965 70 HA THR 10 HA THR 10 -6.032 -0.789 9.312 71 HB THR 10 HB THR 10 -8.418 1.099 9.114 72 HG1 THR 10 1HG THR 10 -7.290 2.165 10.857 73 1HG2 THR 10 1HG2 THR 10 -8.729 0.465 11.487 74 2HG2 THR 10 2HG2 THR 10 -8.774 -0.979 10.459 75 3HG2 THR 10 3HG2 THR 10 -7.313 -0.603 11.400 76 H ALA 11 H ALA 11 -8.243 0.328 6.736 77 HA ALA 11 HA ALA 11 -9.840 -2.049 6.608 78 1HB ALA 11 1HB ALA 11 -10.573 0.125 5.795 79 2HB ALA 11 2HB ALA 11 -9.320 0.109 4.543 80 3HB ALA 11 3HB ALA 11 -10.648 -1.088 4.507 81 H LEU 12 H LEU 12 -6.849 -1.116 4.775 82 HA LEU 12 HA LEU 12 -6.619 -3.524 3.283 83 1HB LEU 12 1HB LEU 12 -5.190 -1.664 2.843 84 2HB LEU 12 2HB LEU 12 -4.406 -1.770 4.412 85 HG LEU 12 HG LEU 12 -4.389 -4.189 2.577 86 1HD1 LEU 12 1HD1 LEU 12 -2.285 -3.399 1.576 87 2HD1 LEU 12 2HD1 LEU 12 -3.632 -2.345 1.152 88 3HD1 LEU 12 3HD1 LEU 12 -2.474 -1.846 2.412 89 1HD2 LEU 12 1HD2 LEU 12 -3.373 -4.617 4.771 90 2HD2 LEU 12 2HD2 LEU 12 -2.072 -4.439 3.615 91 3HD2 LEU 12 3HD2 LEU 12 -2.470 -3.092 4.694 92 H ILE 13 H ILE 13 -5.299 -2.794 6.589 93 HA ILE 13 HA ILE 13 -4.303 -5.407 7.042 94 HB ILE 13 HB ILE 13 -5.332 -3.337 9.003 95 1HG1 ILE 13 1HG1 ILE 13 -3.358 -2.614 7.737 96 2HG1 ILE 13 2HG1 ILE 13 -2.999 -2.878 9.440 97 1HG2 ILE 13 1HG2 ILE 13 -5.495 -5.387 10.206 98 2HG2 ILE 13 2HG2 ILE 13 -3.958 -5.990 9.559 99 3HG2 ILE 13 3HG2 ILE 13 -3.979 -4.636 10.707 100 1HD1 ILE 13 1HD1 ILE 13 -1.163 -3.719 8.133 101 2HD1 ILE 13 2HD1 ILE 13 -1.986 -5.118 8.825 102 3HD1 ILE 13 3HD1 ILE 13 -2.221 -4.693 7.114 103 H LYS 14 H LYS 14 -7.599 -4.197 7.828 104 HA LYS 14 HA LYS 14 -8.592 -6.637 8.857 105 1HB LYS 14 1HB LYS 14 -9.746 -4.459 8.961 106 2HB LYS 14 2HB LYS 14 -10.076 -4.538 7.223 107 1HG LYS 14 1HG LYS 14 -11.394 -6.627 7.576 108 2HG LYS 14 2HG LYS 14 -11.038 -6.549 9.313 109 1HD LYS 14 1HD LYS 14 -12.157 -4.314 9.416 110 2HD LYS 14 2HD LYS 14 -12.564 -4.442 7.699 111 1HE LYS 14 1HE LYS 14 -13.474 -6.377 9.892 112 2HE LYS 14 2HE LYS 14 -14.457 -5.080 9.198 113 1HZ LYS 14 1HZ LYS 14 -14.948 -7.157 8.177 114 2HZ LYS 14 2HZ LYS 14 -14.262 -6.151 7.066 115 3HZ LYS 14 3HZ LYS 14 -13.380 -7.380 7.724 116 H THR 15 H THR 15 -8.837 -5.476 5.445 117 HA THR 15 HA THR 15 -9.999 -7.916 4.487 118 HB THR 15 HB THR 15 -9.360 -7.107 2.220 119 HG1 THR 15 1HG THR 15 -8.411 -4.846 3.660 120 1HG2 THR 15 1HG2 THR 15 -11.510 -6.511 3.276 121 2HG2 THR 15 2HG2 THR 15 -10.760 -5.078 4.013 122 3HG2 THR 15 3HG2 THR 15 -10.895 -5.208 2.247 123 H LEU 16 H LEU 16 -6.595 -6.966 4.726 124 HA LEU 16 HA LEU 16 -5.446 -9.248 3.479 125 1HB LEU 16 1HB LEU 16 -4.347 -7.072 4.189 126 2HB LEU 16 2HB LEU 16 -4.292 -7.674 5.833 127 HG LEU 16 HG LEU 16 -3.087 -9.239 3.507 128 1HD1 LEU 16 1HD1 LEU 16 -0.931 -8.123 4.022 129 2HD1 LEU 16 2HD1 LEU 16 -2.136 -6.982 3.411 130 3HD1 LEU 16 3HD1 LEU 16 -1.772 -7.035 5.149 131 1HD2 LEU 16 1HD2 LEU 16 -1.566 -10.093 5.257 132 2HD2 LEU 16 2HD2 LEU 16 -2.395 -9.113 6.485 133 3HD2 LEU 16 3HD2 LEU 16 -3.230 -10.460 5.688 134 H ARG 17 H ARG 17 -6.114 -8.600 6.952 135 HA ARG 17 HA ARG 17 -5.396 -11.097 8.001 136 1HB ARG 17 1HB ARG 17 -5.786 -9.137 9.343 137 2HB ARG 17 2HB ARG 17 -7.504 -9.098 8.938 138 1HG ARG 17 1HG ARG 17 -6.367 -11.606 10.186 139 2HG ARG 17 2HG ARG 17 -6.578 -10.187 11.208 140 1HD ARG 17 1HD ARG 17 -8.918 -10.048 10.812 141 2HD ARG 17 2HD ARG 17 -8.902 -11.260 9.542 142 HE ARG 17 HE ARG 17 -8.922 -11.719 12.402 143 1HH1 ARG 17 1HH1 ARG 17 -7.872 -13.182 9.317 144 2HH1 ARG 17 2HH1 ARG 17 -7.982 -14.800 9.944 145 1HH2 ARG 17 1HH2 ARG 17 -9.021 -13.847 13.154 146 2HH2 ARG 17 2HH2 ARG 17 -8.613 -15.174 12.087 147 H LYS 18 H LYS 18 -8.584 -10.093 6.653 148 HA LYS 18 HA LYS 18 -9.818 -12.691 6.961 149 1HB LYS 18 1HB LYS 18 -10.287 -10.469 4.943 150 2HB LYS 18 2HB LYS 18 -11.281 -11.933 5.098 151 1HG LYS 18 1HG LYS 18 -11.600 -11.268 7.556 152 2HG LYS 18 2HG LYS 18 -11.019 -9.668 7.081 153 1HD LYS 18 1HD LYS 18 -13.419 -11.180 5.896 154 2HD LYS 18 2HD LYS 18 -13.490 -9.856 7.055 155 1HE LYS 18 1HE LYS 18 -13.994 -8.828 5.019 156 2HE LYS 18 2HE LYS 18 -12.292 -8.410 5.272 157 1HZ LYS 18 1HZ LYS 18 -13.303 -10.610 3.566 158 2HZ LYS 18 2HZ LYS 18 -12.805 -9.137 3.026 159 3HZ LYS 18 3HZ LYS 18 -11.733 -10.166 3.723 160 H CYS 19 H CYS 19 -8.370 -11.243 3.996 161 HA CYS 19 HA CYS 19 -8.625 -13.399 2.304 162 1HB CYS 19 1HB CYS 19 -7.931 -11.129 1.643 163 2HB CYS 19 2HB CYS 19 -6.351 -11.394 2.393 164 H LYS 20 H LYS 20 -5.812 -12.804 4.438 165 HA LYS 20 HA LYS 20 -4.453 -15.248 3.541 166 1HB LYS 20 1HB LYS 20 -3.792 -13.363 5.829 167 2HB LYS 20 2HB LYS 20 -2.725 -14.583 5.123 168 1HG LYS 20 1HG LYS 20 -3.742 -12.053 3.756 169 2HG LYS 20 2HG LYS 20 -2.105 -12.391 4.331 170 1HD LYS 20 1HD LYS 20 -1.951 -14.283 2.685 171 2HD LYS 20 2HD LYS 20 -3.548 -13.823 2.052 172 1HE LYS 20 1HE LYS 20 -2.696 -11.551 1.529 173 2HE LYS 20 2HE LYS 20 -1.085 -12.022 2.114 174 1HZ LYS 20 1HZ LYS 20 -1.310 -12.212 -0.271 175 2HZ LYS 20 2HZ LYS 20 -0.994 -13.674 0.428 176 3HZ LYS 20 3HZ LYS 20 -2.518 -13.320 -0.099 177 H ILE 21 H ILE 21 -7.102 -14.978 5.509 178 HA ILE 21 HA ILE 21 -8.133 -16.352 6.898 179 HB ILE 21 HB ILE 21 -5.920 -18.396 6.519 180 1HG1 ILE 21 1HG1 ILE 21 -6.672 -17.788 4.296 181 2HG1 ILE 21 2HG1 ILE 21 -7.303 -19.366 4.739 182 1HG2 ILE 21 1HG2 ILE 21 -7.759 -20.001 6.991 183 2HG2 ILE 21 2HG2 ILE 21 -7.363 -18.961 8.362 184 3HG2 ILE 21 3HG2 ILE 21 -8.817 -18.637 7.402 185 1HD1 ILE 21 1HD1 ILE 21 -9.527 -18.333 5.230 186 2HD1 ILE 21 2HD1 ILE 21 -8.879 -16.751 4.736 187 3HD1 ILE 21 3HD1 ILE 21 -8.993 -18.067 3.565 188 H ILE 22 H ILE 22 -4.653 -16.417 7.691 189 HA ILE 22 HA ILE 22 -5.252 -16.151 10.566 190 HB ILE 22 HB ILE 22 -3.368 -17.547 9.844 191 1HG1 ILE 22 1HG1 ILE 22 -1.626 -16.664 11.323 192 2HG1 ILE 22 2HG1 ILE 22 -2.427 -15.092 11.397 193 1HG2 ILE 22 1HG2 ILE 22 -2.636 -16.246 7.833 194 2HG2 ILE 22 2HG2 ILE 22 -1.995 -14.990 8.911 195 3HG2 ILE 22 3HG2 ILE 22 -1.316 -16.623 8.939 196 1HD1 ILE 22 1HD1 ILE 22 -2.829 -16.578 13.382 197 2HD1 ILE 22 2HD1 ILE 22 -4.329 -16.082 12.590 198 3HD1 ILE 22 3HD1 ILE 22 -3.680 -17.719 12.323 199 1H ASN 1 1H ASN 1 8.184 16.643 -3.054 200 2H ASN 1 2H ASN 1 7.446 15.981 -4.373 201 3H ASN 1 3H ASN 1 7.990 15.017 -3.143 202 HA ASN 1 HA ASN 1 5.859 17.012 -2.972 203 1HB ASN 1 1HB ASN 1 4.269 15.259 -2.899 204 2HB ASN 1 2HB ASN 1 5.323 14.901 -4.263 205 1HD2 ASN 1 1HD2 ASN 1 7.020 13.135 -3.927 206 2HD2 ASN 1 2HD2 ASN 1 6.733 11.996 -2.598 207 H LEU 2 H LEU 2 4.690 15.138 -0.807 208 HA LEU 2 HA LEU 2 5.963 16.324 1.527 209 1HB LEU 2 1HB LEU 2 3.989 14.026 1.278 210 2HB LEU 2 2HB LEU 2 4.406 14.885 2.762 211 HG LEU 2 HG LEU 2 2.972 16.090 0.345 212 1HD1 LEU 2 1HD1 LEU 2 1.613 14.469 1.613 213 2HD1 LEU 2 2HD1 LEU 2 1.970 15.335 3.123 214 3HD1 LEU 2 3HD1 LEU 2 1.020 16.123 1.843 215 1HD2 LEU 2 1HD2 LEU 2 3.671 17.289 3.067 216 2HD2 LEU 2 2HD2 LEU 2 4.271 17.836 1.484 217 3HD2 LEU 2 3HD2 LEU 2 2.562 18.019 1.888 218 H VAL 3 H VAL 3 5.975 13.051 -0.018 219 HA VAL 3 HA VAL 3 8.510 12.466 1.327 220 HB VAL 3 HB VAL 3 6.825 12.025 3.065 221 1HG1 VAL 3 1HG1 VAL 3 5.284 10.137 2.908 222 2HG1 VAL 3 2HG1 VAL 3 4.920 11.334 1.661 223 3HG1 VAL 3 3HG1 VAL 3 5.772 9.830 1.231 224 1HG2 VAL 3 1HG2 VAL 3 8.973 10.745 2.959 225 2HG2 VAL 3 2HG2 VAL 3 7.649 9.929 3.799 226 3HG2 VAL 3 3HG2 VAL 3 8.091 9.420 2.158 227 H SER 4 H SER 4 9.622 10.642 0.660 228 HA SER 4 HA SER 4 10.066 10.180 -1.873 229 1HB SER 4 1HB SER 4 10.173 8.013 0.254 230 2HB SER 4 2HB SER 4 11.240 8.201 -1.158 231 HG SER 4 HG SER 4 12.185 9.108 0.748 232 H GLY 5 H GLY 5 8.463 9.922 -3.392 233 1HA GLY 5 1HA GLY 5 7.059 8.795 -4.787 234 2HA GLY 5 2HA GLY 5 7.633 7.294 -4.052 235 H LEU 6 H LEU 6 5.934 9.814 -2.193 236 HA LEU 6 HA LEU 6 4.057 8.341 -0.969 237 1HB LEU 6 1HB LEU 6 4.381 10.737 -0.600 238 2HB LEU 6 2HB LEU 6 3.660 11.104 -2.172 239 HG LEU 6 HG LEU 6 1.468 10.297 -1.422 240 1HD1 LEU 6 1HD1 LEU 6 2.108 8.509 0.146 241 2HD1 LEU 6 2HD1 LEU 6 2.883 9.697 1.216 242 3HD1 LEU 6 3HD1 LEU 6 1.126 9.709 0.980 243 1HD2 LEU 6 1HD2 LEU 6 2.135 12.652 -0.994 244 2HD2 LEU 6 2HD2 LEU 6 0.997 12.035 0.219 245 3HD2 LEU 6 3HD2 LEU 6 2.720 12.172 0.615 246 H ILE 7 H ILE 7 3.373 9.866 -4.166 247 HA ILE 7 HA ILE 7 0.817 8.708 -4.431 248 HB ILE 7 HB ILE 7 0.828 9.286 -6.724 249 1HG1 ILE 7 1HG1 ILE 7 3.090 8.710 -7.437 250 2HG1 ILE 7 2HG1 ILE 7 2.565 10.304 -7.943 251 1HG2 ILE 7 1HG2 ILE 7 0.315 10.980 -5.089 252 2HG2 ILE 7 2HG2 ILE 7 2.015 11.454 -4.952 253 3HG2 ILE 7 3HG2 ILE 7 1.139 11.710 -6.474 254 1HD1 ILE 7 1HD1 ILE 7 4.566 9.753 -5.713 255 2HD1 ILE 7 2HD1 ILE 7 4.885 10.400 -7.320 256 3HD1 ILE 7 3HD1 ILE 7 3.953 11.361 -6.167 257 H GLU 8 H GLU 8 3.967 7.304 -5.478 258 HA GLU 8 HA GLU 8 2.816 4.971 -6.724 259 1HB GLU 8 1HB GLU 8 5.528 5.437 -5.410 260 2HB GLU 8 2HB GLU 8 5.036 3.925 -6.164 261 1HG GLU 8 1HG GLU 8 6.329 5.146 -7.769 262 2HG GLU 8 2HG GLU 8 4.655 5.066 -8.328 263 H ALA 9 H ALA 9 3.980 5.585 -3.385 264 HA ALA 9 HA ALA 9 3.283 3.059 -2.290 265 1HB ALA 9 1HB ALA 9 3.320 5.785 -0.938 266 2HB ALA 9 2HB ALA 9 3.345 4.207 -0.122 267 3HB ALA 9 3HB ALA 9 4.705 4.698 -1.151 268 H ARG 10 H ARG 10 1.297 6.012 -2.634 269 HA ARG 10 HA ARG 10 -1.054 5.015 -1.386 270 1HB ARG 10 1HB ARG 10 -0.606 7.370 -1.748 271 2HB ARG 10 2HB ARG 10 -0.743 7.186 -3.500 272 1HG ARG 10 1HG ARG 10 -3.039 6.183 -1.845 273 2HG ARG 10 2HG ARG 10 -2.783 7.929 -1.866 274 1HD ARG 10 1HD ARG 10 -3.186 8.107 -4.196 275 2HD ARG 10 2HD ARG 10 -2.855 6.406 -4.487 276 HE ARG 10 HE ARG 10 -5.028 5.909 -4.155 277 1HH1 ARG 10 1HH1 ARG 10 -4.492 8.972 -2.467 278 2HH1 ARG 10 2HH1 ARG 10 -6.161 9.046 -1.900 279 1HH2 ARG 10 1HH2 ARG 10 -7.145 6.135 -3.542 280 2HH2 ARG 10 2HH2 ARG 10 -7.626 7.452 -2.474 281 H LYS 11 H LYS 11 -0.169 5.079 -4.895 282 HA LYS 11 HA LYS 11 -2.494 3.695 -5.822 283 1HB LYS 11 1HB LYS 11 0.351 3.836 -6.869 284 2HB LYS 11 2HB LYS 11 -0.962 3.005 -7.724 285 1HG LYS 11 1HG LYS 11 -2.299 5.069 -7.767 286 2HG LYS 11 2HG LYS 11 -1.009 5.961 -6.956 287 1HD LYS 11 1HD LYS 11 -0.778 4.589 -9.684 288 2HD LYS 11 2HD LYS 11 -1.059 6.317 -9.418 289 1HE LYS 11 1HE LYS 11 1.122 6.419 -8.135 290 2HE LYS 11 2HE LYS 11 1.432 4.743 -8.635 291 1HZ LYS 11 1HZ LYS 11 1.029 7.014 -10.444 292 2HZ LYS 11 2HZ LYS 11 2.473 6.308 -10.083 293 3HZ LYS 11 3HZ LYS 11 1.321 5.457 -10.900 294 H TYR 12 H TYR 12 0.724 2.369 -4.892 295 HA TYR 12 HA TYR 12 0.151 -0.368 -5.107 296 1HB TYR 12 1HB TYR 12 2.371 0.473 -4.714 297 2HB TYR 12 2HB TYR 12 1.908 1.160 -3.165 298 HD1 TYR 12 1HD TYR 12 1.643 -0.207 -1.177 299 HD2 TYR 12 2HD TYR 12 2.668 -1.996 -4.959 300 HE1 TYR 12 1HE TYR 12 2.136 -2.362 -0.036 301 HE2 TYR 12 2HE TYR 12 3.283 -4.099 -3.795 302 HH TYR 12 HH TYR 12 3.443 -5.169 -1.795 303 H LEU 13 H LEU 13 -0.216 1.613 -2.115 304 HA LEU 13 HA LEU 13 -1.500 -0.238 -0.453 305 1HB LEU 13 1HB LEU 13 -0.773 1.849 0.426 306 2HB LEU 13 2HB LEU 13 -1.702 2.767 -0.755 307 HG LEU 13 HG LEU 13 -3.817 2.153 0.314 308 1HD1 LEU 13 1HD1 LEU 13 -3.796 1.047 2.546 309 2HD1 LEU 13 2HD1 LEU 13 -3.272 -0.033 1.254 310 3HD1 LEU 13 3HD1 LEU 13 -2.065 0.691 2.342 311 1HD2 LEU 13 1HD2 LEU 13 -3.557 3.485 2.322 312 2HD2 LEU 13 2HD2 LEU 13 -1.806 3.209 2.324 313 3HD2 LEU 13 3HD2 LEU 13 -2.554 4.171 1.027 314 H GLU 14 H GLU 14 -3.098 2.089 -2.693 315 HA GLU 14 HA GLU 14 -5.732 1.241 -2.130 316 1HB GLU 14 1HB GLU 14 -4.935 3.385 -3.271 317 2HB GLU 14 2HB GLU 14 -4.764 2.429 -4.750 318 1HG GLU 14 1HG GLU 14 -7.256 1.724 -4.310 319 2HG GLU 14 2HG GLU 14 -7.285 3.032 -3.129 320 H GLN 15 H GLN 15 -3.685 0.311 -4.930 321 HA GLN 15 HA GLN 15 -5.564 -1.534 -6.059 322 1HB GLN 15 1HB GLN 15 -2.590 -1.059 -6.347 323 2HB GLN 15 2HB GLN 15 -3.354 -2.454 -7.108 324 1HG GLN 15 1HG GLN 15 -3.170 -0.531 -8.646 325 2HG GLN 15 2HG GLN 15 -4.822 -1.109 -8.435 326 1HE2 GLN 15 1HE2 GLN 15 -6.376 0.249 -7.354 327 2HE2 GLN 15 2HE2 GLN 15 -6.030 1.956 -7.101 328 H LEU 16 H LEU 16 -2.805 -2.110 -3.803 329 HA LEU 16 HA LEU 16 -3.184 -4.908 -3.588 330 1HB LEU 16 1HB LEU 16 -1.177 -3.739 -2.823 331 2HB LEU 16 2HB LEU 16 -2.108 -2.897 -1.576 332 HG LEU 16 HG LEU 16 -2.537 -4.994 -0.402 333 1HD1 LEU 16 1HD1 LEU 16 -0.939 -6.294 -2.659 334 2HD1 LEU 16 2HD1 LEU 16 -1.334 -7.088 -1.121 335 3HD1 LEU 16 3HD1 LEU 16 -2.632 -6.633 -2.227 336 1HD2 LEU 16 1HD2 LEU 16 0.397 -4.736 -1.151 337 2HD2 LEU 16 2HD2 LEU 16 -0.439 -3.702 0.025 338 3HD2 LEU 16 3HD2 LEU 16 -0.259 -5.439 0.341 339 H HIS 17 H HIS 17 -4.512 -2.259 -1.506 340 HA HIS 17 HA HIS 17 -6.088 -3.890 0.172 341 1HB HIS 17 1HB HIS 17 -5.631 -1.484 0.545 342 2HB HIS 17 2HB HIS 17 -6.677 -1.078 -0.812 343 HD1 HIS 17 1HD HIS 17 -8.536 -3.744 0.768 344 HD2 HIS 17 2HD HIS 17 -7.689 0.297 1.602 345 HE1 HIS 17 1HE HIS 17 -10.425 -2.880 2.257 346 H ARG 18 H ARG 18 -6.990 -2.364 -2.972 347 HA ARG 18 HA ARG 18 -9.655 -3.340 -3.108 348 1HB ARG 18 1HB ARG 18 -7.617 -2.578 -5.217 349 2HB ARG 18 2HB ARG 18 -9.251 -3.111 -5.638 350 1HG ARG 18 1HG ARG 18 -10.288 -1.284 -4.542 351 2HG ARG 18 2HG ARG 18 -8.835 -0.882 -3.620 352 1HD ARG 18 1HD ARG 18 -9.216 0.738 -5.405 353 2HD ARG 18 2HD ARG 18 -7.683 -0.136 -5.624 354 HE ARG 18 HE ARG 18 -9.560 -1.566 -7.098 355 1HH1 ARG 18 1HH1 ARG 18 -8.353 1.783 -7.184 356 2HH1 ARG 18 2HH1 ARG 18 -8.670 1.944 -8.889 357 1HH2 ARG 18 1HH2 ARG 18 -9.919 -1.305 -9.289 358 2HH2 ARG 18 2HH2 ARG 18 -9.545 0.205 -10.086 359 H LYS 19 H LYS 19 -6.625 -4.880 -4.351 360 HA LYS 19 HA LYS 19 -7.850 -7.264 -5.280 361 1HB LYS 19 1HB LYS 19 -5.535 -6.549 -5.757 362 2HB LYS 19 2HB LYS 19 -5.071 -6.905 -4.086 363 1HG LYS 19 1HG LYS 19 -5.674 -9.294 -4.420 364 2HG LYS 19 2HG LYS 19 -6.212 -8.922 -6.070 365 1HD LYS 19 1HD LYS 19 -3.903 -8.200 -6.662 366 2HD LYS 19 2HD LYS 19 -3.382 -8.486 -4.994 367 1HE LYS 19 1HE LYS 19 -2.703 -10.372 -6.375 368 2HE LYS 19 2HE LYS 19 -3.943 -10.908 -5.230 369 1HZ LYS 19 1HZ LYS 19 -4.318 -11.731 -7.447 370 2HZ LYS 19 2HZ LYS 19 -5.550 -10.738 -6.992 371 3HZ LYS 19 3HZ LYS 19 -4.406 -10.199 -8.048 372 H LEU 20 H LEU 20 -6.423 -6.592 -2.038 373 HA LEU 20 HA LEU 20 -7.149 -9.130 -0.909 374 1HB LEU 20 1HB LEU 20 -6.556 -6.457 0.391 375 2HB LEU 20 2HB LEU 20 -6.685 -7.984 1.271 376 HG LEU 20 HG LEU 20 -4.666 -7.531 -0.984 377 1HD1 LEU 20 1HD1 LEU 20 -4.313 -7.324 2.016 378 2HD1 LEU 20 2HD1 LEU 20 -3.013 -7.211 0.814 379 3HD1 LEU 20 3HD1 LEU 20 -4.277 -5.964 0.878 380 1HD2 LEU 20 1HD2 LEU 20 -5.095 -9.911 -0.589 381 2HD2 LEU 20 2HD2 LEU 20 -3.518 -9.468 0.067 382 3HD2 LEU 20 3HD2 LEU 20 -4.897 -9.682 1.162 383 H LYS 21 H LYS 21 -9.020 -6.122 -1.198 384 HA LYS 21 HA LYS 21 -11.242 -7.060 0.399 385 1HB LYS 21 1HB LYS 21 -10.843 -4.691 -0.230 386 2HB LYS 21 2HB LYS 21 -11.226 -5.077 -1.913 387 1HG LYS 21 1HG LYS 21 -13.499 -5.805 -1.234 388 2HG LYS 21 2HG LYS 21 -13.107 -5.458 0.463 389 1HD LYS 21 1HD LYS 21 -12.662 -3.071 -0.147 390 2HD LYS 21 2HD LYS 21 -13.129 -3.416 -1.820 391 1HE LYS 21 1HE LYS 21 -14.937 -3.747 0.631 392 2HE LYS 21 2HE LYS 21 -14.966 -2.373 -0.487 393 1HZ LYS 21 1HZ LYS 21 -15.527 -3.893 -2.248 394 2HZ LYS 21 2HZ LYS 21 -15.540 -5.163 -1.198 395 3HZ LYS 21 3HZ LYS 21 -16.642 -3.950 -1.036 396 H ASN 22 H ASN 22 -10.616 -7.087 -3.149 397 HA ASN 22 HA ASN 22 -12.896 -8.534 -3.935 398 1HB ASN 22 1HB ASN 22 -11.113 -7.294 -5.329 399 2HB ASN 22 2HB ASN 22 -10.190 -8.799 -5.295 400 1HD2 ASN 22 1HD2 ASN 22 -12.557 -10.644 -5.577 401 2HD2 ASN 22 2HD2 ASN 22 -13.113 -10.321 -7.216 402 H CYS 23 H CYS 23 -9.772 -9.763 -2.737 403 HA CYS 23 HA CYS 23 -10.073 -12.529 -3.050 404 1HB CYS 23 1HB CYS 23 -8.083 -11.381 -2.164 405 2HB CYS 23 2HB CYS 23 -8.974 -10.992 -0.690 406 H LYS 24 H LYS 24 -11.719 -10.414 -0.759 407 HA LYS 24 HA LYS 24 -13.392 -10.563 0.600 408 1HB LYS 24 1HB LYS 24 -15.378 -11.580 -0.206 409 2HB LYS 24 2HB LYS 24 -14.452 -10.787 -1.485 410 1HG LYS 24 1HG LYS 24 -13.757 -12.942 -2.399 411 2HG LYS 24 2HG LYS 24 -14.448 -13.801 -1.020 412 1HD LYS 24 1HD LYS 24 -15.924 -13.991 -2.941 413 2HD LYS 24 2HD LYS 24 -16.712 -13.073 -1.654 414 1HE LYS 24 1HE LYS 24 -17.131 -12.087 -3.877 415 2HE LYS 24 2HE LYS 24 -16.260 -10.953 -2.844 416 1HZ LYS 24 1HZ LYS 24 -15.040 -12.674 -4.896 417 2HZ LYS 24 2HZ LYS 24 -15.359 -11.064 -5.061 418 3HZ LYS 24 3HZ LYS 24 -14.237 -11.573 -3.968 419 H VAL 25 H VAL 25 -12.441 -13.995 0.214 420 HA VAL 25 HA VAL 25 -13.762 -14.986 2.501 421 HB VAL 25 HB VAL 25 -12.688 -16.331 0.714 422 1HG1 VAL 25 1HG1 VAL 25 -10.316 -16.836 0.746 423 2HG1 VAL 25 2HG1 VAL 25 -10.508 -15.087 0.570 424 3HG1 VAL 25 3HG1 VAL 25 -10.041 -15.778 2.137 425 1HG2 VAL 25 1HG2 VAL 25 -11.946 -18.157 2.143 426 2HG2 VAL 25 2HG2 VAL 25 -11.717 -17.054 3.512 427 3HG2 VAL 25 3HG2 VAL 25 -13.348 -17.354 2.872 428 1H GLU 1 1H GLU 1 -11.191 8.493 -1.350 429 2H GLU 1 2H GLU 1 -9.661 8.355 -1.946 430 3H GLU 1 3H GLU 1 -10.335 9.843 -1.744 431 HA GLU 1 HA GLU 1 -10.418 9.573 0.601 432 1HB GLU 1 1HB GLU 1 -10.716 7.122 0.525 433 2HB GLU 1 2HB GLU 1 -9.021 6.927 0.060 434 1HG GLU 1 1HG GLU 1 -8.354 8.025 2.252 435 2HG GLU 1 2HG GLU 1 -10.068 8.140 2.676 436 H ASN 2 H ASN 2 -8.907 10.772 1.608 437 HA ASN 2 HA ASN 2 -6.495 11.603 0.246 438 1HB ASN 2 1HB ASN 2 -6.221 13.026 2.303 439 2HB ASN 2 2HB ASN 2 -7.757 13.198 1.455 440 1HD2 ASN 2 1HD2 ASN 2 -6.280 11.492 4.244 441 2HD2 ASN 2 2HD2 ASN 2 -7.767 11.524 5.211 442 H ARG 3 H ARG 3 -5.841 9.142 0.236 443 HA ARG 3 HA ARG 3 -4.719 8.073 2.634 444 1HB ARG 3 1HB ARG 3 -4.413 7.220 -0.252 445 2HB ARG 3 2HB ARG 3 -3.820 6.297 1.141 446 1HG ARG 3 1HG ARG 3 -6.141 6.239 2.063 447 2HG ARG 3 2HG ARG 3 -6.717 7.065 0.601 448 1HD ARG 3 1HD ARG 3 -5.944 5.189 -0.793 449 2HD ARG 3 2HD ARG 3 -5.289 4.385 0.653 450 HE ARG 3 HE ARG 3 -8.100 5.074 0.934 451 1HH1 ARG 3 1HH1 ARG 3 -6.002 2.607 -0.423 452 2HH1 ARG 3 2HH1 ARG 3 -7.182 1.331 -0.220 453 1HH2 ARG 3 1HH2 ARG 3 -9.542 3.504 1.265 454 2HH2 ARG 3 2HH2 ARG 3 -9.255 1.847 0.757 455 H GLU 4 H GLU 4 -3.467 10.076 3.150 456 HA GLU 4 HA GLU 4 -0.845 10.414 1.992 457 1HB GLU 4 1HB GLU 4 -2.305 12.037 3.388 458 2HB GLU 4 2HB GLU 4 -1.608 11.255 4.806 459 1HG GLU 4 1HG GLU 4 -0.094 12.644 2.528 460 2HG GLU 4 2HG GLU 4 -0.410 13.327 4.121 461 H VAL 5 H VAL 5 -0.524 8.018 1.923 462 HA VAL 5 HA VAL 5 -0.052 6.531 4.296 463 HB VAL 5 HB VAL 5 -0.870 5.529 2.311 464 1HG1 VAL 5 1HG1 VAL 5 1.845 5.981 1.006 465 2HG1 VAL 5 2HG1 VAL 5 0.502 5.028 0.372 466 3HG1 VAL 5 3HG1 VAL 5 0.326 6.778 0.542 467 1HG2 VAL 5 1HG2 VAL 5 1.869 4.396 3.002 468 2HG2 VAL 5 2HG2 VAL 5 0.357 4.100 3.902 469 3HG2 VAL 5 3HG2 VAL 5 0.532 3.525 2.237 470 HA PRO 6 HA PRO 6 4.203 7.873 4.825 471 1HB PRO 6 1HB PRO 6 4.758 6.861 7.263 472 2HB PRO 6 2HB PRO 6 3.460 8.070 7.043 473 1HG PRO 6 1HG PRO 6 3.134 5.051 7.158 474 2HG PRO 6 2HG PRO 6 2.281 6.269 8.136 475 1HD PRO 6 1HD PRO 6 1.239 5.244 5.817 476 2HD PRO 6 2HD PRO 6 0.955 6.942 6.289 477 HA PRO 7 HA PRO 7 6.937 4.448 3.517 478 1HB PRO 7 1HB PRO 7 8.730 5.674 5.632 479 2HB PRO 7 2HB PRO 7 9.179 5.064 4.011 480 1HG PRO 7 1HG PRO 7 8.847 7.718 4.378 481 2HG PRO 7 2HG PRO 7 8.098 6.936 2.952 482 1HD PRO 7 1HD PRO 7 6.766 7.711 5.558 483 2HD PRO 7 2HD PRO 7 6.200 7.928 3.872 484 H GLY 8 H GLY 8 6.378 5.137 6.959 485 1HA GLY 8 1HA GLY 8 7.048 2.777 8.259 486 2HA GLY 8 2HA GLY 8 5.622 3.760 8.628 487 H PHE 9 H PHE 9 4.180 3.346 6.140 488 HA PHE 9 HA PHE 9 2.964 0.769 6.669 489 1HB PHE 9 1HB PHE 9 1.585 2.522 5.765 490 2HB PHE 9 2HB PHE 9 2.677 2.740 4.395 491 HD1 PHE 9 1HD PHE 9 0.788 -0.069 6.034 492 HD2 PHE 9 2HD PHE 9 2.158 1.691 2.351 493 HE1 PHE 9 1HE PHE 9 -0.228 -1.943 4.757 494 HE2 PHE 9 2HE PHE 9 1.081 -0.136 1.080 495 HZ PHE 9 HZ PHE 9 -0.057 -1.990 2.276 496 H THR 10 H THR 10 5.121 2.003 4.024 497 HA THR 10 HA THR 10 5.342 -0.350 2.548 498 HB THR 10 HB THR 10 7.630 1.590 3.041 499 HG1 THR 10 1HG THR 10 6.582 2.734 1.290 500 1HG2 THR 10 1HG2 THR 10 8.110 -0.390 1.601 501 2HG2 THR 10 2HG2 THR 10 6.716 0.031 0.581 502 3HG2 THR 10 3HG2 THR 10 8.115 1.119 0.672 503 H ALA 11 H ALA 11 7.330 0.741 5.329 504 HA ALA 11 HA ALA 11 8.961 -1.598 5.555 505 1HB ALA 11 1HB ALA 11 9.531 -0.747 7.732 506 2HB ALA 11 2HB ALA 11 9.389 0.619 6.619 507 3HB ALA 11 3HB ALA 11 8.083 0.287 7.777 508 H LEU 12 H LEU 12 5.841 -0.770 7.162 509 HA LEU 12 HA LEU 12 5.503 -3.134 8.637 510 1HB LEU 12 1HB LEU 12 4.170 -1.055 8.784 511 2HB LEU 12 2HB LEU 12 3.265 -1.534 7.350 512 HG LEU 12 HG LEU 12 3.480 -3.308 9.827 513 1HD1 LEU 12 1HD1 LEU 12 1.387 -1.230 9.163 514 2HD1 LEU 12 2HD1 LEU 12 1.343 -2.342 10.552 515 3HD1 LEU 12 3HD1 LEU 12 2.587 -1.088 10.464 516 1HD2 LEU 12 1HD2 LEU 12 1.486 -3.178 7.511 517 2HD2 LEU 12 2HD2 LEU 12 2.567 -4.529 7.911 518 3HD2 LEU 12 3HD2 LEU 12 1.242 -4.126 8.992 519 H ILE 13 H ILE 13 4.051 -2.530 5.353 520 HA ILE 13 HA ILE 13 3.103 -5.158 5.143 521 HB ILE 13 HB ILE 13 2.317 -3.210 3.832 522 1HG1 ILE 13 1HG1 ILE 13 1.896 -4.406 1.692 523 2HG1 ILE 13 2HG1 ILE 13 3.006 -5.687 2.188 524 1HG2 ILE 13 1HG2 ILE 13 4.675 -3.735 1.978 525 2HG2 ILE 13 2HG2 ILE 13 3.404 -2.509 1.812 526 3HG2 ILE 13 3HG2 ILE 13 4.553 -2.391 3.133 527 1HD1 ILE 13 1HD1 ILE 13 0.577 -6.195 2.575 528 2HD1 ILE 13 2HD1 ILE 13 1.522 -6.271 4.063 529 3HD1 ILE 13 3HD1 ILE 13 0.501 -4.851 3.730 530 H LYS 14 H LYS 14 6.297 -3.880 4.066 531 HA LYS 14 HA LYS 14 7.242 -6.320 2.902 532 1HB LYS 14 1HB LYS 14 8.661 -4.060 4.354 533 2HB LYS 14 2HB LYS 14 9.505 -5.439 3.626 534 1HG LYS 14 1HG LYS 14 8.664 -4.904 1.411 535 2HG LYS 14 2HG LYS 14 7.595 -3.665 2.059 536 1HD LYS 14 1HD LYS 14 9.546 -2.603 1.058 537 2HD LYS 14 2HD LYS 14 9.489 -2.302 2.798 538 1HE LYS 14 1HE LYS 14 11.782 -2.781 2.031 539 2HE LYS 14 2HE LYS 14 11.241 -4.002 3.185 540 1HZ LYS 14 1HZ LYS 14 12.335 -4.958 1.281 541 2HZ LYS 14 2HZ LYS 14 10.761 -5.442 1.332 542 3HZ LYS 14 3HZ LYS 14 11.233 -4.289 0.255 543 H THR 15 H THR 15 7.588 -5.162 6.311 544 HA THR 15 HA THR 15 8.695 -7.660 7.206 545 HB THR 15 HB THR 15 8.154 -6.884 9.503 546 HG1 THR 15 1HG THR 15 7.177 -4.627 8.077 547 1HG2 THR 15 1HG2 THR 15 9.826 -5.100 9.438 548 2HG2 THR 15 2HG2 THR 15 10.294 -6.412 8.356 549 3HG2 THR 15 3HG2 THR 15 9.612 -4.915 7.687 550 H LEU 16 H LEU 16 5.340 -6.679 6.822 551 HA LEU 16 HA LEU 16 4.134 -8.897 8.139 552 1HB LEU 16 1HB LEU 16 3.108 -6.701 7.221 553 2HB LEU 16 2HB LEU 16 2.976 -7.529 5.680 554 HG LEU 16 HG LEU 16 1.818 -8.691 8.252 555 1HD1 LEU 16 1HD1 LEU 16 -0.337 -7.659 7.597 556 2HD1 LEU 16 2HD1 LEU 16 0.886 -6.447 7.994 557 3HD1 LEU 16 3HD1 LEU 16 0.489 -6.775 6.295 558 1HD2 LEU 16 1HD2 LEU 16 1.141 -9.083 5.296 559 2HD2 LEU 16 2HD2 LEU 16 1.903 -10.281 6.362 560 3HD2 LEU 16 3HD2 LEU 16 0.246 -9.773 6.665 561 H ARG 17 H ARG 17 4.976 -8.401 4.679 562 HA ARG 17 HA ARG 17 4.401 -10.995 3.760 563 1HB ARG 17 1HB ARG 17 4.918 -9.123 2.280 564 2HB ARG 17 2HB ARG 17 6.570 -9.046 2.880 565 1HG ARG 17 1HG ARG 17 6.494 -10.145 0.704 566 2HG ARG 17 2HG ARG 17 7.100 -11.246 1.939 567 1HD ARG 17 1HD ARG 17 5.549 -12.376 0.404 568 2HD ARG 17 2HD ARG 17 4.900 -12.376 2.044 569 HE ARG 17 HE ARG 17 3.972 -10.065 0.600 570 1HH1 ARG 17 1HH1 ARG 17 3.441 -13.564 0.796 571 2HH1 ARG 17 2HH1 ARG 17 1.804 -13.458 0.205 572 1HH2 ARG 17 1HH2 ARG 17 1.866 -9.962 -0.172 573 2HH2 ARG 17 2HH2 ARG 17 0.932 -11.423 -0.403 574 H LYS 18 H LYS 18 7.526 -9.753 5.098 575 HA LYS 18 HA LYS 18 8.892 -12.258 5.058 576 1HB LYS 18 1HB LYS 18 9.200 -9.905 6.953 577 2HB LYS 18 2HB LYS 18 10.307 -11.281 6.853 578 1HG LYS 18 1HG LYS 18 10.817 -10.791 4.514 579 2HG LYS 18 2HG LYS 18 9.695 -9.420 4.517 580 1HD LYS 18 1HD LYS 18 11.029 -8.339 6.331 581 2HD LYS 18 2HD LYS 18 12.163 -9.704 6.299 582 1HE LYS 18 1HE LYS 18 12.685 -9.207 3.913 583 2HE LYS 18 2HE LYS 18 11.554 -7.841 3.949 584 1HZ LYS 18 1HZ LYS 18 13.960 -8.118 5.614 585 2HZ LYS 18 2HZ LYS 18 13.808 -7.142 4.296 586 3HZ LYS 18 3HZ LYS 18 12.912 -6.846 5.648 587 H CYS 19 H CYS 19 6.745 -10.908 7.635 588 HA CYS 19 HA CYS 19 7.208 -13.076 9.439 589 1HB CYS 19 1HB CYS 19 6.307 -10.915 10.135 590 2HB CYS 19 2HB CYS 19 4.823 -11.219 9.221 591 H LYS 20 H LYS 20 4.413 -12.532 7.220 592 HA LYS 20 HA LYS 20 3.273 -15.133 7.949 593 1HB LYS 20 1HB LYS 20 2.395 -13.036 5.924 594 2HB LYS 20 2HB LYS 20 1.520 -14.523 6.316 595 1HG LYS 20 1HG LYS 20 1.530 -13.752 8.765 596 2HG LYS 20 2HG LYS 20 2.060 -12.171 8.157 597 1HD LYS 20 1HD LYS 20 0.036 -12.152 6.637 598 2HD LYS 20 2HD LYS 20 -0.472 -13.696 7.333 599 1HE LYS 20 1HE LYS 20 -0.583 -12.640 9.597 600 2HE LYS 20 2HE LYS 20 -0.120 -11.085 8.880 601 1HZ LYS 20 1HZ LYS 20 -2.557 -12.627 8.273 602 2HZ LYS 20 2HZ LYS 20 -2.465 -11.227 9.130 603 3HZ LYS 20 3HZ LYS 20 -2.110 -11.228 7.521 604 H ILE 21 H ILE 21 5.189 -13.938 5.220 605 HA ILE 21 HA ILE 21 5.926 -14.845 3.320 606 HB ILE 21 HB ILE 21 5.116 -17.595 4.326 607 1HG1 ILE 21 1HG1 ILE 21 6.588 -16.600 5.996 608 2HG1 ILE 21 2HG1 ILE 21 7.413 -17.860 5.090 609 1HG2 ILE 21 1HG2 ILE 21 7.030 -16.681 2.153 610 2HG2 ILE 21 2HG2 ILE 21 6.915 -18.339 2.783 611 3HG2 ILE 21 3HG2 ILE 21 5.532 -17.608 1.961 612 1HD1 ILE 21 1HD1 ILE 21 8.894 -15.966 5.472 613 2HD1 ILE 21 2HD1 ILE 21 8.591 -16.126 3.738 614 3HD1 ILE 21 3HD1 ILE 21 7.770 -14.857 4.679 615 H ILE 22 H ILE 22 2.918 -16.631 4.103 616 HA ILE 22 HA ILE 22 1.934 -16.611 1.405 617 HB ILE 22 HB ILE 22 -0.180 -17.328 2.329 618 1HG1 ILE 22 1HG1 ILE 22 0.988 -16.817 5.106 619 2HG1 ILE 22 2HG1 ILE 22 -0.300 -15.878 4.340 620 1HG2 ILE 22 1HG2 ILE 22 1.778 -18.889 2.068 621 2HG2 ILE 22 2HG2 ILE 22 2.100 -18.710 3.805 622 3HG2 ILE 22 3HG2 ILE 22 0.576 -19.427 3.242 623 1HD1 ILE 22 1HD1 ILE 22 -0.466 -18.793 5.164 624 2HD1 ILE 22 2HD1 ILE 22 -1.313 -17.407 5.863 625 3HD1 ILE 22 3HD1 ILE 22 -1.708 -17.933 4.216 626 1H ASN 1 1H ASN 1 -4.087 15.938 16.673 627 2H ASN 1 2H ASN 1 -5.390 15.985 17.679 628 3H ASN 1 3H ASN 1 -4.075 15.078 18.078 629 HA ASN 1 HA ASN 1 -4.426 13.624 16.242 630 1HB ASN 1 1HB ASN 1 -5.393 13.084 18.437 631 2HB ASN 1 2HB ASN 1 -6.880 13.940 18.019 632 1HD2 ASN 1 1HD2 ASN 1 -7.957 13.182 15.947 633 2HD2 ASN 1 2HD2 ASN 1 -7.821 11.500 15.473 634 H LEU 2 H LEU 2 -4.536 14.531 14.147 635 HA LEU 2 HA LEU 2 -6.846 16.015 13.222 636 1HB LEU 2 1HB LEU 2 -4.449 14.782 11.808 637 2HB LEU 2 2HB LEU 2 -5.763 15.605 10.966 638 HG LEU 2 HG LEU 2 -5.326 17.683 12.223 639 1HD1 LEU 2 1HD1 LEU 2 -2.956 16.132 13.369 640 2HD1 LEU 2 2HD1 LEU 2 -3.085 17.902 13.372 641 3HD1 LEU 2 3HD1 LEU 2 -4.255 16.950 14.278 642 1HD2 LEU 2 1HD2 LEU 2 -4.329 17.253 10.003 643 2HD2 LEU 2 2HD2 LEU 2 -3.252 18.234 11.009 644 3HD2 LEU 2 3HD2 LEU 2 -2.914 16.505 10.776 645 H VAL 3 H VAL 3 -5.613 12.853 12.020 646 HA VAL 3 HA VAL 3 -8.124 12.248 10.738 647 HB VAL 3 HB VAL 3 -5.698 10.477 11.258 648 1HG1 VAL 3 1HG1 VAL 3 -6.504 9.222 9.259 649 2HG1 VAL 3 2HG1 VAL 3 -7.563 9.052 10.652 650 3HG1 VAL 3 3HG1 VAL 3 -8.019 10.143 9.319 651 1HG2 VAL 3 1HG2 VAL 3 -5.080 12.489 9.955 652 2HG2 VAL 3 2HG2 VAL 3 -5.078 11.058 8.926 653 3HG2 VAL 3 3HG2 VAL 3 -6.439 12.195 8.850 654 H SER 4 H SER 4 -9.570 10.466 11.180 655 HA SER 4 HA SER 4 -10.676 10.154 13.634 656 1HB SER 4 1HB SER 4 -10.431 7.990 11.508 657 2HB SER 4 2HB SER 4 -11.755 8.199 12.668 658 HG SER 4 HG SER 4 -12.173 10.239 11.629 659 H GLY 5 H GLY 5 -9.421 9.803 15.457 660 1HA GLY 5 1HA GLY 5 -8.223 8.662 17.041 661 2HA GLY 5 2HA GLY 5 -8.584 7.167 16.170 662 H LEU 6 H LEU 6 -6.799 9.861 14.714 663 HA LEU 6 HA LEU 6 -4.696 8.619 13.634 664 1HB LEU 6 1HB LEU 6 -5.153 11.008 13.396 665 2HB LEU 6 2HB LEU 6 -4.643 11.308 15.052 666 HG LEU 6 HG LEU 6 -2.328 10.658 14.499 667 1HD1 LEU 6 1HD1 LEU 6 -1.649 10.365 12.158 668 2HD1 LEU 6 2HD1 LEU 6 -2.744 9.067 12.635 669 3HD1 LEU 6 3HD1 LEU 6 -3.342 10.404 11.627 670 1HD2 LEU 6 1HD2 LEU 6 -3.542 12.739 12.642 671 2HD2 LEU 6 2HD2 LEU 6 -3.018 13.000 14.324 672 3HD2 LEU 6 3HD2 LEU 6 -1.831 12.611 13.072 673 H ILE 7 H ILE 7 -4.579 9.806 17.055 674 HA ILE 7 HA ILE 7 -1.924 8.879 17.528 675 HB ILE 7 HB ILE 7 -2.403 9.044 19.898 676 1HG1 ILE 7 1HG1 ILE 7 -5.323 9.414 19.081 677 2HG1 ILE 7 2HG1 ILE 7 -4.635 8.117 20.068 678 1HG2 ILE 7 1HG2 ILE 7 -2.804 11.425 19.923 679 2HG2 ILE 7 2HG2 ILE 7 -1.908 11.030 18.457 680 3HG2 ILE 7 3HG2 ILE 7 -3.647 11.358 18.362 681 1HD1 ILE 7 1HD1 ILE 7 -5.717 9.653 21.534 682 2HD1 ILE 7 2HD1 ILE 7 -3.966 9.816 21.781 683 3HD1 ILE 7 3HD1 ILE 7 -4.863 11.041 20.846 684 H GLU 8 H GLU 8 -4.988 7.092 17.801 685 HA GLU 8 HA GLU 8 -3.783 4.723 18.993 686 1HB GLU 8 1HB GLU 8 -6.163 5.343 19.283 687 2HB GLU 8 2HB GLU 8 -6.444 5.097 17.549 688 1HG GLU 8 1HG GLU 8 -5.785 2.704 17.781 689 2HG GLU 8 2HG GLU 8 -5.460 2.960 19.502 690 H ALA 9 H ALA 9 -4.819 5.719 15.712 691 HA ALA 9 HA ALA 9 -4.051 3.385 14.308 692 1HB ALA 9 1HB ALA 9 -4.056 4.816 12.328 693 2HB ALA 9 2HB ALA 9 -5.438 5.185 13.375 694 3HB ALA 9 3HB ALA 9 -4.035 6.271 13.354 695 H ARG 10 H ARG 10 -2.090 6.312 15.003 696 HA ARG 10 HA ARG 10 0.379 5.539 13.858 697 1HB ARG 10 1HB ARG 10 -0.366 7.248 16.265 698 2HB ARG 10 2HB ARG 10 1.309 7.007 15.770 699 1HG ARG 10 1HG ARG 10 0.843 7.918 13.555 700 2HG ARG 10 2HG ARG 10 -0.843 8.206 13.983 701 1HD ARG 10 1HD ARG 10 -0.142 9.706 15.816 702 2HD ARG 10 2HD ARG 10 1.570 9.371 15.447 703 HE ARG 10 HE ARG 10 0.453 10.275 13.058 704 1HH1 ARG 10 1HH1 ARG 10 1.210 11.538 16.258 705 2HH1 ARG 10 2HH1 ARG 10 1.585 13.148 15.672 706 1HH2 ARG 10 1HH2 ARG 10 0.541 12.486 12.379 707 2HH2 ARG 10 2HH2 ARG 10 1.038 13.700 13.530 708 H LYS 11 H LYS 11 -0.756 5.032 17.255 709 HA LYS 11 HA LYS 11 1.513 3.531 18.101 710 1HB LYS 11 1HB LYS 11 -1.376 3.571 19.035 711 2HB LYS 11 2HB LYS 11 -0.104 2.645 19.851 712 1HG LYS 11 1HG LYS 11 1.186 4.639 20.317 713 2HG LYS 11 2HG LYS 11 0.100 5.645 19.346 714 1HD LYS 11 1HD LYS 11 -1.784 5.112 20.878 715 2HD LYS 11 2HD LYS 11 -0.692 4.127 21.875 716 1HE LYS 11 1HE LYS 11 0.720 6.142 22.297 717 2HE LYS 11 2HE LYS 11 -0.376 7.116 21.296 718 1HZ LYS 11 1HZ LYS 11 -0.869 7.331 23.616 719 2HZ LYS 11 2HZ LYS 11 -2.130 6.611 22.837 720 3HZ LYS 11 3HZ LYS 11 -1.113 5.709 23.768 721 H TYR 12 H TYR 12 -1.620 2.371 16.775 722 HA TYR 12 HA TYR 12 -1.032 -0.393 16.843 723 1HB TYR 12 1HB TYR 12 -3.262 0.582 16.537 724 2HB TYR 12 2HB TYR 12 -2.811 1.175 14.944 725 HD1 TYR 12 1HD TYR 12 -2.805 -0.298 13.030 726 HD2 TYR 12 2HD TYR 12 -3.429 -1.891 16.978 727 HE1 TYR 12 1HE TYR 12 -3.532 -2.465 12.041 728 HE2 TYR 12 2HE TYR 12 -4.150 -4.050 15.992 729 HH TYR 12 HH TYR 12 -4.538 -5.213 14.079 730 H LEU 13 H LEU 13 -0.668 1.871 14.079 731 HA LEU 13 HA LEU 13 0.541 0.275 12.149 732 1HB LEU 13 1HB LEU 13 -0.195 2.635 11.945 733 2HB LEU 13 2HB LEU 13 1.151 3.162 12.936 734 HG LEU 13 HG LEU 13 1.555 3.735 10.700 735 1HD1 LEU 13 1HD1 LEU 13 3.378 1.343 11.084 736 2HD1 LEU 13 2HD1 LEU 13 3.682 2.834 10.195 737 3HD1 LEU 13 3HD1 LEU 13 3.554 2.890 11.960 738 1HD2 LEU 13 1HD2 LEU 13 1.127 0.846 9.923 739 2HD2 LEU 13 2HD2 LEU 13 0.071 2.219 9.541 740 3HD2 LEU 13 3HD2 LEU 13 1.693 2.126 8.834 741 H GLU 14 H GLU 14 2.287 2.257 14.589 742 HA GLU 14 HA GLU 14 4.882 1.293 14.033 743 1HB GLU 14 1HB GLU 14 4.490 3.304 15.238 744 2HB GLU 14 2HB GLU 14 3.605 2.453 16.521 745 1HG GLU 14 1HG GLU 14 5.785 1.250 17.096 746 2HG GLU 14 2HG GLU 14 6.592 2.249 15.879 747 H GLN 15 H GLN 15 2.702 0.197 16.715 748 HA GLN 15 HA GLN 15 4.573 -1.790 17.612 749 1HB GLN 15 1HB GLN 15 1.691 -1.140 18.189 750 2HB GLN 15 2HB GLN 15 2.332 -2.694 18.707 751 1HG GLN 15 1HG GLN 15 2.505 -0.864 20.441 752 2HG GLN 15 2HG GLN 15 3.973 -1.777 20.096 753 1HE2 GLN 15 1HE2 GLN 15 2.418 1.220 18.723 754 2HE2 GLN 15 2HE2 GLN 15 3.905 2.164 18.883 755 H LEU 16 H LEU 16 1.785 -2.067 15.358 756 HA LEU 16 HA LEU 16 1.994 -4.878 14.996 757 1HB LEU 16 1HB LEU 16 0.069 -3.572 14.259 758 2HB LEU 16 2HB LEU 16 1.067 -2.707 13.081 759 HG LEU 16 HG LEU 16 1.417 -4.744 11.790 760 1HD1 LEU 16 1HD1 LEU 16 1.446 -6.488 13.518 761 2HD1 LEU 16 2HD1 LEU 16 -0.238 -6.123 13.959 762 3HD1 LEU 16 3HD1 LEU 16 0.145 -6.837 12.380 763 1HD2 LEU 16 1HD2 LEU 16 -0.871 -5.093 11.017 764 2HD2 LEU 16 2HD2 LEU 16 -1.520 -4.439 12.533 765 3HD2 LEU 16 3HD2 LEU 16 -0.642 -3.380 11.413 766 H HIS 17 H HIS 17 3.488 -2.185 13.070 767 HA HIS 17 HA HIS 17 5.126 -3.807 11.429 768 1HB HIS 17 1HB HIS 17 4.857 -1.424 11.047 769 2HB HIS 17 2HB HIS 17 5.630 -1.048 12.585 770 HD1 HIS 17 1HD HIS 17 7.166 -3.635 10.104 771 HD2 HIS 17 2HD HIS 17 7.702 0.262 11.650 772 HE1 HIS 17 1HE HIS 17 9.434 -2.827 9.313 773 H ARG 18 H ARG 18 5.880 -2.500 14.699 774 HA ARG 18 HA ARG 18 8.466 -3.540 14.967 775 1HB ARG 18 1HB ARG 18 7.219 -1.944 16.496 776 2HB ARG 18 2HB ARG 18 6.428 -3.355 17.214 777 1HG ARG 18 1HG ARG 18 8.780 -4.273 17.680 778 2HG ARG 18 2HG ARG 18 9.393 -2.691 17.174 779 1HD ARG 18 1HD ARG 18 7.516 -3.339 19.491 780 2HD ARG 18 2HD ARG 18 9.172 -2.759 19.629 781 HE ARG 18 HE ARG 18 6.768 -1.188 19.278 782 1HH1 ARG 18 1HH1 ARG 18 10.187 -1.117 18.424 783 2HH1 ARG 18 2HH1 ARG 18 10.243 0.632 18.370 784 1HH2 ARG 18 1HH2 ARG 18 6.849 0.948 19.273 785 2HH2 ARG 18 2HH2 ARG 18 8.289 1.850 18.811 786 H LYS 19 H LYS 19 5.381 -5.139 15.978 787 HA LYS 19 HA LYS 19 6.539 -7.601 16.815 788 1HB LYS 19 1HB LYS 19 3.805 -6.930 15.683 789 2HB LYS 19 2HB LYS 19 4.235 -8.529 16.315 790 1HG LYS 19 1HG LYS 19 4.845 -7.530 18.497 791 2HG LYS 19 2HG LYS 19 4.338 -5.939 17.928 792 1HD LYS 19 1HD LYS 19 2.537 -8.405 18.147 793 2HD LYS 19 2HD LYS 19 2.624 -7.085 19.323 794 1HE LYS 19 1HE LYS 19 1.931 -5.475 17.508 795 2HE LYS 19 2HE LYS 19 1.684 -6.863 16.427 796 1HZ LYS 19 1HZ LYS 19 -0.336 -6.204 17.474 797 2HZ LYS 19 2HZ LYS 19 0.089 -7.717 17.973 798 3HZ LYS 19 3HZ LYS 19 0.305 -6.427 18.976 799 H LEU 20 H LEU 20 5.209 -6.729 13.577 800 HA LEU 20 HA LEU 20 5.842 -9.234 12.353 801 1HB LEU 20 1HB LEU 20 5.576 -6.471 11.142 802 2HB LEU 20 2HB LEU 20 5.571 -7.984 10.228 803 HG LEU 20 HG LEU 20 3.515 -7.358 12.406 804 1HD1 LEU 20 1HD1 LEU 20 1.999 -6.830 10.508 805 2HD1 LEU 20 2HD1 LEU 20 3.352 -5.687 10.648 806 3HD1 LEU 20 3HD1 LEU 20 3.390 -6.950 9.410 807 1HD2 LEU 20 1HD2 LEU 20 2.196 -9.111 11.287 808 2HD2 LEU 20 2HD2 LEU 20 3.572 -9.475 10.233 809 3HD2 LEU 20 3HD2 LEU 20 3.689 -9.743 11.984 810 H LYS 21 H LYS 21 7.758 -6.266 12.667 811 HA LYS 21 HA LYS 21 10.046 -7.104 11.172 812 1HB LYS 21 1HB LYS 21 9.447 -4.785 11.667 813 2HB LYS 21 2HB LYS 21 9.729 -5.054 13.392 814 1HG LYS 21 1HG LYS 21 12.072 -5.232 13.112 815 2HG LYS 21 2HG LYS 21 11.935 -5.573 11.381 816 1HD LYS 21 1HD LYS 21 12.758 -3.272 11.796 817 2HD LYS 21 2HD LYS 21 11.244 -3.301 10.892 818 1HE LYS 21 1HE LYS 21 9.988 -2.797 13.017 819 2HE LYS 21 2HE LYS 21 11.542 -2.713 13.873 820 1HZ LYS 21 1HZ LYS 21 10.780 -0.567 13.221 821 2HZ LYS 21 2HZ LYS 21 12.125 -0.923 12.335 822 3HZ LYS 21 3HZ LYS 21 10.623 -1.023 11.647 823 H ASN 22 H ASN 22 9.118 -7.601 14.577 824 HA ASN 22 HA ASN 22 11.636 -8.943 15.269 825 1HB ASN 22 1HB ASN 22 8.913 -8.773 16.588 826 2HB ASN 22 2HB ASN 22 10.147 -9.911 17.133 827 1HD2 ASN 22 1HD2 ASN 22 9.759 -6.387 16.406 828 2HD2 ASN 22 2HD2 ASN 22 10.901 -5.913 17.673 829 H CYS 23 H CYS 23 8.402 -10.049 14.232 830 HA CYS 23 HA CYS 23 8.783 -12.817 14.310 831 1HB CYS 23 1HB CYS 23 6.601 -11.773 14.015 832 2HB CYS 23 2HB CYS 23 7.124 -11.089 12.479 833 H LYS 24 H LYS 24 9.070 -10.817 11.338 834 HA LYS 24 HA LYS 24 9.737 -11.604 9.210 835 1HB LYS 24 1HB LYS 24 12.171 -11.061 9.151 836 2HB LYS 24 2HB LYS 24 11.143 -9.867 9.957 837 1HG LYS 24 1HG LYS 24 11.802 -10.626 12.138 838 2HG LYS 24 2HG LYS 24 12.725 -11.984 11.494 839 1HD LYS 24 1HD LYS 24 14.235 -10.370 10.315 840 2HD LYS 24 2HD LYS 24 13.341 -9.030 11.057 841 1HE LYS 24 1HE LYS 24 14.904 -11.212 12.528 842 2HE LYS 24 2HE LYS 24 15.370 -9.511 12.351 843 1HZ LYS 24 1HZ LYS 24 13.291 -8.974 13.527 844 2HZ LYS 24 2HZ LYS 24 13.070 -10.569 13.844 845 3HZ LYS 24 3HZ LYS 24 14.392 -9.795 14.455 846 H VAL 25 H VAL 25 9.082 -13.847 8.891 847 HA VAL 25 HA VAL 25 10.885 -15.985 9.732 848 HB VAL 25 HB VAL 25 8.408 -15.973 7.966 849 1HG1 VAL 25 1HG1 VAL 25 9.777 -17.914 7.373 850 2HG1 VAL 25 2HG1 VAL 25 10.018 -18.302 9.093 851 3HG1 VAL 25 3HG1 VAL 25 8.406 -18.432 8.356 852 1HG2 VAL 25 1HG2 VAL 25 7.336 -16.987 9.948 853 2HG2 VAL 25 2HG2 VAL 25 8.850 -16.826 10.863 854 3HG2 VAL 25 3HG2 VAL 25 7.964 -15.382 10.337
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