NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
474357 | 2ksw | 16676 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 H1 VAL 1 -2.149 -4.711 3.953 2 HA VAL 1 HA VAL 1 -1.536 -3.757 6.666 3 HB VAL 1 HB VAL 1 -3.382 -2.019 6.283 4 HG11 VAL 1 HG11 VAL 1 -0.714 -1.830 6.234 5 HG12 VAL 1 HG12 VAL 1 -1.069 -1.274 4.597 6 HG13 VAL 1 HG13 VAL 1 -1.778 -0.446 5.984 7 HG21 VAL 1 HG21 VAL 1 -3.658 -1.253 3.977 8 HG22 VAL 1 HG22 VAL 1 -2.653 -2.587 3.411 9 HG23 VAL 1 HG23 VAL 1 -4.212 -2.916 4.168 10 HA PRO 2 HA PRO 2 -4.952 -6.173 7.992 11 HB2 PRO 2 HB3 PRO 2 -5.899 -4.685 10.056 12 HB3 PRO 2 HB2 PRO 2 -4.384 -5.591 10.141 13 HG2 PRO 2 HG2 PRO 2 -4.822 -2.678 9.607 14 HG3 PRO 2 HG3 PRO 2 -3.609 -3.457 10.640 15 HD2 PRO 2 HD2 PRO 2 -3.040 -2.552 8.152 16 HD3 PRO 2 HD3 PRO 2 -2.239 -3.970 8.859 17 H VAL 3 H VAL 3 -6.850 -6.434 7.013 18 HA VAL 3 HA VAL 3 -8.835 -4.326 7.053 19 HB VAL 3 HB VAL 3 -9.199 -4.843 4.486 20 HG11 VAL 3 HG11 VAL 3 -6.985 -2.949 4.788 21 HG12 VAL 3 HG12 VAL 3 -8.627 -2.693 4.193 22 HG13 VAL 3 HG13 VAL 3 -8.308 -2.708 5.928 23 HG21 VAL 3 HG21 VAL 3 -6.230 -4.839 4.420 24 HG22 VAL 3 HG22 VAL 3 -7.047 -6.368 4.742 25 HG23 VAL 3 HG23 VAL 3 -7.388 -5.483 3.256 26 H GLY 4 H GLY 4 -9.587 -6.141 8.477 27 HA2 GLY 4 HA2 GLY 4 -10.558 -8.506 7.091 28 HA3 GLY 4 HA3 GLY 4 -10.679 -8.182 8.814 29 H SER 5 H SER 5 -11.780 -6.365 5.957 30 HA SER 5 HA SER 5 -13.813 -5.511 5.397 31 HB2 SER 5 HB2 SER 5 -14.218 -8.163 5.758 32 HB3 SER 5 HB3 SER 5 -15.341 -7.515 6.954 33 HG SER 5 HG SER 5 -15.763 -7.743 4.401 34 H ASP 6 H ASP 6 -12.516 -4.875 8.042 35 HA ASP 6 HA ASP 6 -14.910 -3.888 9.448 36 HB2 ASP 6 HB2 ASP 6 -12.259 -4.855 10.429 37 HB3 ASP 6 HB3 ASP 6 -13.097 -3.613 11.355 38 H CYS 7 H CYS 7 -11.994 -3.039 7.832 39 HA CYS 7 HA CYS 7 -12.689 -0.254 7.892 40 HB2 CYS 7 HB2 CYS 7 -11.410 -0.691 10.062 41 HB3 CYS 7 HB3 CYS 7 -9.998 -0.972 9.048 42 H GLU 8 H GLU 8 -11.639 0.948 6.297 43 HA GLU 8 HA GLU 8 -9.838 -0.580 4.537 44 HB2 GLU 8 HB2 GLU 8 -10.905 0.429 2.596 45 HB3 GLU 8 HB3 GLU 8 -12.089 -0.446 3.556 46 HG2 GLU 8 HG2 GLU 8 -12.543 1.868 4.635 47 HG3 GLU 8 HG3 GLU 8 -11.756 2.495 3.188 48 HA PRO 9 HA PRO 9 -7.102 2.848 4.947 49 HB2 PRO 9 HB3 PRO 9 -5.568 2.414 2.750 50 HB3 PRO 9 HB2 PRO 9 -5.457 1.424 4.209 51 HG2 PRO 9 HG2 PRO 9 -6.904 0.868 1.648 52 HG3 PRO 9 HG3 PRO 9 -5.915 -0.225 2.634 53 HD2 PRO 9 HD2 PRO 9 -8.622 -0.236 2.716 54 HD3 PRO 9 HD3 PRO 9 -7.622 -0.621 4.131 55 H LYS 10 H LYS 10 -8.168 4.746 4.618 56 HA LYS 10 HA LYS 10 -8.196 5.773 1.881 57 HB2 LYS 10 HB2 LYS 10 -10.512 4.842 2.910 58 HB3 LYS 10 HB3 LYS 10 -10.558 6.492 3.516 59 HG2 LYS 10 HG2 LYS 10 -10.468 7.387 1.314 60 HG3 LYS 10 HG3 LYS 10 -10.128 5.800 0.621 61 HD2 LYS 10 HD2 LYS 10 -12.315 5.020 1.117 62 HD3 LYS 10 HD3 LYS 10 -12.656 6.422 2.134 63 HE2 LYS 10 HE2 LYS 10 -13.761 6.583 -0.050 64 HE3 LYS 10 HE3 LYS 10 -12.586 7.876 0.190 65 HZ1 LYS 10 HZ1 LYS 10 -11.610 5.471 -1.124 66 HZ2 LYS 10 HZ2 LYS 10 -11.260 7.096 -1.438 67 HZ3 LYS 10 HZ3 LYS 10 -12.697 6.415 -2.012 68 H LEU 11 H LEU 11 -6.925 6.138 4.725 69 HA LEU 11 HA LEU 11 -6.197 8.807 4.445 70 HB2 LEU 11 HB2 LEU 11 -8.739 8.397 5.778 71 HB3 LEU 11 HB3 LEU 11 -7.580 9.229 6.813 72 HG LEU 11 HG LEU 11 -7.693 10.361 4.135 73 HD11 LEU 11 HD11 LEU 11 -10.210 9.920 5.643 74 HD12 LEU 11 HD12 LEU 11 -9.931 10.022 3.905 75 HD13 LEU 11 HD13 LEU 11 -9.968 11.491 4.880 76 HD21 LEU 11 HD21 LEU 11 -7.250 12.250 5.263 77 HD22 LEU 11 HD22 LEU 11 -6.921 11.163 6.612 78 HD23 LEU 11 HD23 LEU 11 -8.497 11.942 6.472 79 H CYS 12 H CYS 12 -4.219 7.816 4.935 80 HA CYS 12 HA CYS 12 -3.559 7.811 7.722 81 HB2 CYS 12 HB2 CYS 12 -2.675 5.475 7.745 82 HB3 CYS 12 HB3 CYS 12 -4.430 5.565 7.640 83 H THR 13 H THR 13 -1.170 7.005 7.961 84 HA THR 13 HA THR 13 0.356 7.921 5.612 85 HB THR 13 HB THR 13 1.920 8.463 7.884 86 HG1 THR 13 HG1 THR 13 -0.098 8.388 9.067 87 HG21 THR 13 HG21 THR 13 1.981 9.744 5.833 88 HG22 THR 13 HG22 THR 13 1.603 10.819 7.178 89 HG23 THR 13 HG23 THR 13 0.323 10.289 6.086 90 H MET 14 H MET 14 2.261 6.863 5.153 91 HA MET 14 HA MET 14 2.506 4.199 6.182 92 HB2 MET 14 HB2 MET 14 4.172 3.871 4.529 93 HB3 MET 14 HB3 MET 14 2.963 4.916 3.795 94 HG2 MET 14 HG2 MET 14 4.629 6.258 3.229 95 HG3 MET 14 HG3 MET 14 4.753 6.682 4.934 96 HE1 MET 14 HE1 MET 14 7.338 5.285 2.063 97 HE2 MET 14 HE2 MET 14 6.607 6.812 2.560 98 HE3 MET 14 HE3 MET 14 8.202 6.360 3.164 99 H ASP 15 H ASP 15 4.847 3.418 6.683 100 HA ASP 15 HA ASP 15 6.723 5.099 7.886 101 HB2 ASP 15 HB2 ASP 15 4.476 4.992 9.460 102 HB3 ASP 15 HB3 ASP 15 5.476 3.721 10.158 103 H LEU 16 H LEU 16 8.031 3.717 9.646 104 HA LEU 16 HA LEU 16 8.281 0.998 8.537 105 HB2 LEU 16 HB2 LEU 16 10.111 2.818 8.109 106 HB3 LEU 16 HB3 LEU 16 10.593 2.436 9.760 107 HG LEU 16 HG LEU 16 10.565 -0.038 8.780 108 HD11 LEU 16 HD11 LEU 16 11.003 -0.248 6.539 109 HD12 LEU 16 HD12 LEU 16 11.583 1.410 6.383 110 HD13 LEU 16 HD13 LEU 16 9.855 1.090 6.527 111 HD21 LEU 16 HD21 LEU 16 12.802 0.061 9.035 112 HD22 LEU 16 HD22 LEU 16 12.458 1.683 9.637 113 HD23 LEU 16 HD23 LEU 16 12.970 1.454 7.965 114 H VAL 17 H VAL 17 6.586 1.375 10.634 115 HA VAL 17 HA VAL 17 8.104 0.308 12.926 116 HB VAL 17 HB VAL 17 5.480 1.790 13.087 117 HG11 VAL 17 HG11 VAL 17 7.430 1.199 15.298 118 HG12 VAL 17 HG12 VAL 17 5.757 1.745 15.429 119 HG13 VAL 17 HG13 VAL 17 6.111 0.107 14.878 120 HG21 VAL 17 HG21 VAL 17 6.685 3.638 12.718 121 HG22 VAL 17 HG22 VAL 17 7.372 3.359 14.318 122 HG23 VAL 17 HG23 VAL 17 8.215 2.777 12.883 123 HA PRO 18 HA PRO 18 5.342 -3.080 11.490 124 HB2 PRO 18 HB3 PRO 18 7.097 -5.057 12.110 125 HB3 PRO 18 HB2 PRO 18 7.147 -4.173 10.580 126 HG2 PRO 18 HG2 PRO 18 8.794 -3.781 13.049 127 HG3 PRO 18 HG3 PRO 18 9.304 -3.773 11.350 128 HD2 PRO 18 HD2 PRO 18 8.902 -1.497 12.761 129 HD3 PRO 18 HD3 PRO 18 8.593 -1.605 11.016 130 H HIS 19 H HIS 19 3.777 -3.456 12.929 131 HA HIS 19 HA HIS 19 4.545 -4.427 15.600 132 HB2 HIS 19 HB2 HIS 19 2.792 -2.175 14.860 133 HB3 HIS 19 HB3 HIS 19 2.124 -3.265 16.071 134 HD1 HIS 19 HD1 HIS 19 3.950 -3.747 18.131 135 HD2 HIS 19 HD2 HIS 19 4.320 -0.234 15.943 136 HE1 HIS 19 HE1 HIS 19 5.317 -2.201 19.568 137 H CYS 20 H CYS 20 2.521 -5.443 16.700 138 HA CYS 20 HA CYS 20 1.404 -7.344 14.769 139 HB2 CYS 20 HB2 CYS 20 1.617 -7.474 17.784 140 HB3 CYS 20 HB3 CYS 20 0.887 -8.721 16.778 141 H PHE 21 H PHE 21 -0.729 -7.504 14.375 142 HA PHE 21 HA PHE 21 -2.596 -6.036 16.097 143 HB2 PHE 21 HB2 PHE 21 -2.843 -5.943 13.098 144 HB3 PHE 21 HB3 PHE 21 -3.647 -4.933 14.294 145 HD1 PHE 21 HD2 PHE 21 -0.523 -5.542 12.482 146 HD2 PHE 21 HD1 PHE 21 -2.548 -3.030 15.259 147 HE1 PHE 21 HE2 PHE 21 1.236 -3.842 12.223 148 HE2 PHE 21 HE1 PHE 21 -0.792 -1.326 15.003 149 HZ PHE 21 HZ PHE 21 1.104 -1.731 13.484 150 H LEU 22 H LEU 22 -4.864 -6.676 15.760 151 HA LEU 22 HA LEU 22 -5.032 -9.517 15.012 152 HB2 LEU 22 HB2 LEU 22 -5.832 -8.130 17.329 153 HB3 LEU 22 HB3 LEU 22 -7.309 -8.600 16.490 154 HG LEU 22 HG LEU 22 -5.423 -10.796 16.663 155 HD11 LEU 22 HD11 LEU 22 -6.485 -9.776 19.286 156 HD12 LEU 22 HD12 LEU 22 -4.832 -9.499 18.738 157 HD13 LEU 22 HD13 LEU 22 -5.408 -11.144 19.005 158 HD21 LEU 22 HD21 LEU 22 -8.063 -10.766 18.021 159 HD22 LEU 22 HD22 LEU 22 -7.315 -12.012 17.022 160 HD23 LEU 22 HD23 LEU 22 -8.033 -10.590 16.266 161 H ASN 23 H ASN 23 -6.232 -10.075 13.319 162 HA ASN 23 HA ASN 23 -8.091 -8.076 12.215 163 HB2 ASN 23 HB2 ASN 23 -6.123 -9.876 10.996 164 HB3 ASN 23 HB3 ASN 23 -7.699 -9.924 10.210 165 HD21 ASN 23 HD22 ASN 23 -8.583 -7.935 9.420 166 HD22 ASN 23 HD21 ASN 23 -7.529 -6.652 8.942 167 HA PRO 24 HA PRO 24 -11.408 -10.813 13.227 168 HB2 PRO 24 HB3 PRO 24 -13.312 -9.671 11.665 169 HB3 PRO 24 HB2 PRO 24 -12.747 -8.947 13.176 170 HG2 PRO 24 HG2 PRO 24 -11.966 -8.303 10.358 171 HG3 PRO 24 HG3 PRO 24 -12.315 -7.200 11.702 172 HD2 PRO 24 HD2 PRO 24 -9.791 -7.819 10.942 173 HD3 PRO 24 HD3 PRO 24 -10.221 -7.465 12.628 174 H GLU 25 H GLU 25 -10.048 -10.440 10.104 175 HA GLU 25 HA GLU 25 -11.613 -12.706 9.069 176 HB2 GLU 25 HB2 GLU 25 -10.173 -10.439 7.738 177 HB3 GLU 25 HB3 GLU 25 -10.452 -11.935 6.858 178 HG2 GLU 25 HG2 GLU 25 -12.659 -10.399 8.193 179 HG3 GLU 25 HG3 GLU 25 -12.152 -10.105 6.531 180 H LYS 26 H LYS 26 -8.664 -11.939 10.428 181 HA LYS 26 HA LYS 26 -7.523 -14.470 9.504 182 HB2 LYS 26 HB2 LYS 26 -5.680 -12.133 9.755 183 HB3 LYS 26 HB3 LYS 26 -5.509 -13.593 8.789 184 HG2 LYS 26 HG2 LYS 26 -7.539 -12.608 7.472 185 HG3 LYS 26 HG3 LYS 26 -7.002 -11.087 8.190 186 HD2 LYS 26 HD2 LYS 26 -4.645 -12.048 7.309 187 HD3 LYS 26 HD3 LYS 26 -5.733 -12.764 6.118 188 HE2 LYS 26 HE2 LYS 26 -6.016 -9.874 6.797 189 HE3 LYS 26 HE3 LYS 26 -4.700 -10.381 5.740 190 HZ1 LYS 26 HZ1 LYS 26 -7.569 -10.348 5.246 191 HZ2 LYS 26 HZ2 LYS 26 -6.712 -11.657 4.601 192 HZ3 LYS 26 HZ3 LYS 26 -6.283 -10.076 4.181 193 H GLY 27 H GLY 27 -6.426 -11.717 11.494 194 HA2 GLY 27 HA2 GLY 27 -6.714 -12.051 13.974 195 HA3 GLY 27 HA3 GLY 27 -6.013 -13.639 13.700 196 H ILE 28 H ILE 28 -3.956 -13.780 14.259 197 HA ILE 28 HA ILE 28 -2.365 -11.564 14.937 198 HB ILE 28 HB ILE 28 -1.875 -13.669 15.951 199 HG12 ILE 28 HG12 ILE 28 0.360 -12.996 14.025 200 HG13 ILE 28 HG13 ILE 28 0.042 -12.155 15.538 201 HG21 ILE 28 HG21 ILE 28 -0.667 -15.187 13.894 202 HG22 ILE 28 HG22 ILE 28 -2.110 -15.569 14.832 203 HG23 ILE 28 HG23 ILE 28 -2.254 -14.679 13.317 204 HD11 ILE 28 HD11 ILE 28 0.651 -15.092 15.386 205 HD12 ILE 28 HD12 ILE 28 1.885 -13.850 15.596 206 HD13 ILE 28 HD13 ILE 28 0.627 -14.058 16.815 207 H VAL 29 H VAL 29 -1.786 -10.081 13.475 208 HA VAL 29 HA VAL 29 -0.279 -10.987 11.131 209 HB VAL 29 HB VAL 29 -2.452 -8.892 10.992 210 HG11 VAL 29 HG11 VAL 29 -0.813 -8.222 9.470 211 HG12 VAL 29 HG12 VAL 29 -0.423 -9.882 9.016 212 HG13 VAL 29 HG13 VAL 29 -1.942 -9.156 8.490 213 HG21 VAL 29 HG21 VAL 29 -3.616 -10.473 9.533 214 HG22 VAL 29 HG22 VAL 29 -2.342 -11.662 9.801 215 HG23 VAL 29 HG23 VAL 29 -3.368 -11.152 11.141 216 H VAL 30 H VAL 30 1.630 -10.017 11.104 217 HA VAL 30 HA VAL 30 1.950 -7.472 12.535 218 HB VAL 30 HB VAL 30 3.433 -9.189 13.339 219 HG11 VAL 30 HG11 VAL 30 3.515 -9.968 10.615 220 HG12 VAL 30 HG12 VAL 30 5.167 -9.614 11.126 221 HG13 VAL 30 HG13 VAL 30 4.201 -10.794 12.014 222 HG21 VAL 30 HG21 VAL 30 4.911 -7.203 11.613 223 HG22 VAL 30 HG22 VAL 30 4.339 -6.937 13.260 224 HG23 VAL 30 HG23 VAL 30 5.612 -8.117 12.949 225 H VAL 31 H VAL 31 2.322 -5.647 11.458 226 HA VAL 31 HA VAL 31 3.633 -5.690 8.866 227 HB VAL 31 HB VAL 31 1.833 -4.207 7.882 228 HG11 VAL 31 HG11 VAL 31 1.103 -7.068 8.500 229 HG12 VAL 31 HG12 VAL 31 0.438 -6.092 7.188 230 HG13 VAL 31 HG13 VAL 31 2.149 -6.525 7.188 231 HG21 VAL 31 HG21 VAL 31 0.793 -3.982 10.279 232 HG22 VAL 31 HG22 VAL 31 -0.240 -3.986 8.849 233 HG23 VAL 31 HG23 VAL 31 -0.067 -5.451 9.816 234 H HIS 32 H HIS 32 4.318 -3.584 8.155 235 HA HIS 32 HA HIS 32 4.575 -1.691 10.392 236 HB2 HIS 32 HB2 HIS 32 6.541 -0.816 9.020 237 HB3 HIS 32 HB3 HIS 32 6.735 -2.409 9.746 238 HD1 HIS 32 HD1 HIS 32 6.615 -0.659 6.491 239 HD2 HIS 32 HD2 HIS 32 6.657 -4.571 7.889 240 HE1 HIS 32 HE1 HIS 32 7.149 -2.082 4.488 241 H GLY 33 H GLY 33 4.346 0.549 10.016 242 HA2 GLY 33 HA2 GLY 33 3.982 2.308 8.291 243 HA3 GLY 33 HA3 GLY 33 2.844 1.191 7.552 244 H GLY 34 H GLY 34 2.769 3.975 8.964 245 HA2 GLY 34 HA2 GLY 34 1.226 3.862 11.260 246 HA3 GLY 34 HA3 GLY 34 1.147 5.159 10.077 247 H CYS 35 H CYS 35 0.296 3.182 7.984 248 HA CYS 35 HA CYS 35 -2.469 3.578 8.168 249 HB2 CYS 35 HB2 CYS 35 -0.717 1.851 6.456 250 HB3 CYS 35 HB3 CYS 35 -2.466 1.664 6.376 251 H ALA 36 H ALA 36 -0.549 0.635 8.728 252 HA ALA 36 HA ALA 36 -2.688 -1.044 9.412 253 HB1 ALA 36 HB1 ALA 36 -0.329 -1.734 8.865 254 HB2 ALA 36 HB2 ALA 36 0.104 -1.271 10.511 255 HB3 ALA 36 HB3 ALA 36 -1.066 -2.562 10.237 256 H LEU 37 H LEU 37 -0.911 1.321 11.266 257 HA LEU 37 HA LEU 37 -1.898 0.438 13.816 258 HB2 LEU 37 HB2 LEU 37 0.264 1.698 13.370 259 HB3 LEU 37 HB3 LEU 37 -0.737 3.137 13.179 260 HG LEU 37 HG LEU 37 -1.514 2.880 15.500 261 HD11 LEU 37 HD11 LEU 37 -1.335 0.521 15.817 262 HD12 LEU 37 HD12 LEU 37 -0.254 1.305 16.969 263 HD13 LEU 37 HD13 LEU 37 0.402 0.556 15.514 264 HD21 LEU 37 HD21 LEU 37 1.354 3.230 14.803 265 HD22 LEU 37 HD22 LEU 37 0.911 3.156 16.509 266 HD23 LEU 37 HD23 LEU 37 0.199 4.388 15.466 267 H SER 38 H SER 38 -2.655 3.073 11.571 268 HA SER 38 HA SER 38 -4.667 4.245 13.193 269 HB2 SER 38 HB2 SER 38 -3.547 4.665 10.539 270 HB3 SER 38 HB3 SER 38 -5.293 4.915 10.564 271 HG SER 38 HG SER 38 -5.051 6.492 12.072 272 H LYS 39 H LYS 39 -4.857 2.155 10.315 273 HA LYS 39 HA LYS 39 -7.632 1.896 10.234 274 HB2 LYS 39 HB2 LYS 39 -5.337 0.302 9.202 275 HB3 LYS 39 HB3 LYS 39 -6.925 -0.454 9.198 276 HG2 LYS 39 HG2 LYS 39 -7.475 0.637 7.355 277 HG3 LYS 39 HG3 LYS 39 -7.152 2.186 8.139 278 HD2 LYS 39 HD2 LYS 39 -5.805 1.909 6.115 279 HD3 LYS 39 HD3 LYS 39 -4.789 1.998 7.556 280 HE2 LYS 39 HE2 LYS 39 -4.113 0.237 5.921 281 HE3 LYS 39 HE3 LYS 39 -4.444 -0.364 7.545 282 HZ1 LYS 39 HZ1 LYS 39 -6.100 -1.626 6.798 283 HZ2 LYS 39 HZ2 LYS 39 -5.508 -1.336 5.240 284 HZ3 LYS 39 HZ3 LYS 39 -6.761 -0.384 5.860 285 H TYR 40 H TYR 40 -5.209 -0.064 11.921 286 HA TYR 40 HA TYR 40 -6.837 -2.087 12.882 287 HB2 TYR 40 HB2 TYR 40 -4.468 -2.251 13.167 288 HB3 TYR 40 HB3 TYR 40 -4.416 -0.770 14.117 289 HD1 TYR 40 HD2 TYR 40 -6.156 -4.084 14.217 290 HD2 TYR 40 HD1 TYR 40 -4.149 -1.024 16.389 291 HE1 TYR 40 HE2 TYR 40 -6.383 -5.406 16.279 292 HE2 TYR 40 HE1 TYR 40 -4.370 -2.338 18.456 293 HH TYR 40 HH TYR 40 -5.335 -5.613 18.457 294 H LYS 41 H LYS 41 -6.284 1.148 14.185 295 HA LYS 41 HA LYS 41 -7.810 0.745 16.558 296 HB2 LYS 41 HB2 LYS 41 -6.013 2.540 16.057 297 HB3 LYS 41 HB3 LYS 41 -7.325 3.430 15.296 298 HG2 LYS 41 HG2 LYS 41 -8.551 3.480 17.375 299 HG3 LYS 41 HG3 LYS 41 -7.322 2.481 18.154 300 HD2 LYS 41 HD2 LYS 41 -5.775 4.479 17.234 301 HD3 LYS 41 HD3 LYS 41 -7.287 5.357 17.477 302 HE2 LYS 41 HE2 LYS 41 -7.371 4.519 19.791 303 HE3 LYS 41 HE3 LYS 41 -5.830 3.701 19.536 304 HZ1 LYS 41 HZ1 LYS 41 -5.319 6.255 18.782 305 HZ2 LYS 41 HZ2 LYS 41 -4.930 5.580 20.283 306 HZ3 LYS 41 HZ3 LYS 41 -6.360 6.464 20.100 307 H CYS 42 H CYS 42 -8.579 1.569 13.290 308 HA CYS 42 HA CYS 42 -11.178 2.663 13.904 309 HB2 CYS 42 HB2 CYS 42 -10.494 3.606 11.941 310 HB3 CYS 42 HB3 CYS 42 -9.569 2.188 11.458 311 H GLN 43 H GLN 43 -10.018 -0.272 12.242 312 HA GLN 43 HA GLN 43 -12.499 -1.499 11.918 313 HB2 GLN 43 HB2 GLN 43 -11.100 -3.656 11.930 314 HB3 GLN 43 HB3 GLN 43 -10.735 -2.446 10.707 315 HG2 GLN 43 HG2 GLN 43 -8.638 -2.349 11.388 316 HG3 GLN 43 HG3 GLN 43 -9.159 -1.910 13.014 317 HE21 GLN 43 HE22 GLN 43 -9.085 -4.798 10.947 318 HE22 GLN 43 HE21 GLN 43 -8.483 -5.863 12.167 319 H ASN 44 H ASN 44 -10.180 -1.736 14.592 320 HA ASN 44 HA ASN 44 -12.363 -2.651 16.316 321 HB2 ASN 44 HB2 ASN 44 -9.641 -3.973 16.254 322 HB3 ASN 44 HB3 ASN 44 -10.987 -4.399 17.307 323 HD21 ASN 44 HD22 ASN 44 -13.110 -4.593 15.807 324 HD22 ASN 44 HD21 ASN 44 -12.911 -5.737 14.527 325 HA PRO 45 HA PRO 45 -9.962 0.778 18.247 326 HB2 PRO 45 HB3 PRO 45 -12.148 2.007 19.286 327 HB3 PRO 45 HB2 PRO 45 -11.584 2.284 17.634 328 HG2 PRO 45 HG2 PRO 45 -13.787 0.509 18.611 329 HG3 PRO 45 HG3 PRO 45 -13.764 1.593 17.208 330 HD2 PRO 45 HD2 PRO 45 -13.392 -1.080 16.990 331 HD3 PRO 45 HD3 PRO 45 -12.608 0.085 15.904 332 H ASN 46 H ASN 46 -11.862 -1.805 19.300 333 HA ASN 46 HA ASN 46 -11.507 -1.171 22.136 334 HB2 ASN 46 HB2 ASN 46 -12.880 -3.628 21.072 335 HB3 ASN 46 HB3 ASN 46 -13.120 -2.813 22.615 336 HD21 ASN 46 HD22 ASN 46 -13.903 -2.875 19.254 337 HD22 ASN 46 HD21 ASN 46 -15.154 -1.685 19.307 338 H HIS 47 H HIS 47 -10.149 -3.049 19.620 339 HA HIS 47 HA HIS 47 -8.983 -5.084 21.264 340 HB2 HIS 47 HB2 HIS 47 -8.505 -4.201 18.420 341 HB3 HIS 47 HB3 HIS 47 -7.571 -5.488 19.176 342 HD1 HIS 47 HD1 HIS 47 -11.186 -5.270 20.000 343 HD2 HIS 47 HD2 HIS 47 -8.724 -7.334 17.365 344 HE1 HIS 47 HE1 HIS 47 -12.602 -7.130 19.073 345 H GLU 48 H GLU 48 -6.564 -5.394 21.304 346 HA GLU 48 HA GLU 48 -5.204 -2.811 21.702 347 HB2 GLU 48 HB2 GLU 48 -5.880 -4.358 23.758 348 HB3 GLU 48 HB3 GLU 48 -4.392 -5.181 23.314 349 HG2 GLU 48 HG2 GLU 48 -3.200 -3.016 23.491 350 HG3 GLU 48 HG3 GLU 48 -4.695 -2.287 24.073 351 H LYS 49 H LYS 49 -3.508 -2.552 20.425 352 HA LYS 49 HA LYS 49 -2.532 -4.535 18.694 353 HB2 LYS 49 HB2 LYS 49 -2.318 -2.158 18.196 354 HB3 LYS 49 HB3 LYS 49 -1.251 -1.942 19.578 355 HG2 LYS 49 HG2 LYS 49 0.264 -3.660 18.417 356 HG3 LYS 49 HG3 LYS 49 -0.707 -3.327 16.980 357 HD2 LYS 49 HD2 LYS 49 0.949 -1.774 16.700 358 HD3 LYS 49 HD3 LYS 49 -0.195 -0.821 17.648 359 HE2 LYS 49 HE2 LYS 49 1.903 -2.438 19.032 360 HE3 LYS 49 HE3 LYS 49 2.329 -0.887 18.312 361 HZ1 LYS 49 HZ1 LYS 49 0.684 -1.461 20.642 362 HZ2 LYS 49 HZ2 LYS 49 0.158 -0.193 19.653 363 HZ3 LYS 49 HZ3 LYS 49 1.705 -0.149 20.334 364 H LEU 50 H LEU 50 -1.598 -6.343 19.421 365 HA LEU 50 HA LEU 50 -0.281 -6.744 21.811 366 HB2 LEU 50 HB2 LEU 50 0.431 -8.145 19.245 367 HB3 LEU 50 HB3 LEU 50 0.578 -8.766 20.888 368 HG LEU 50 HG LEU 50 -1.985 -8.268 19.376 369 HD11 LEU 50 HD11 LEU 50 -2.217 -10.602 19.254 370 HD12 LEU 50 HD12 LEU 50 -0.912 -10.876 20.407 371 HD13 LEU 50 HD13 LEU 50 -0.547 -10.279 18.788 372 HD21 LEU 50 HD21 LEU 50 -2.778 -9.641 21.507 373 HD22 LEU 50 HD22 LEU 50 -2.720 -7.878 21.492 374 HD23 LEU 50 HD23 LEU 50 -1.411 -8.797 22.237 375 H GLY 51 H GLY 51 1.516 -5.894 22.613 376 HA2 GLY 51 HA2 GLY 51 3.701 -5.230 20.738 377 HA3 GLY 51 HA3 GLY 51 3.253 -4.161 22.060 378 H TYR 52 H TYR 52 2.873 -7.280 23.107 379 HA TYR 52 HA TYR 52 5.594 -7.917 23.731 380 HB2 TYR 52 HB2 TYR 52 4.393 -6.063 25.423 381 HB3 TYR 52 HB3 TYR 52 4.229 -7.592 26.279 382 HD1 TYR 52 HD2 TYR 52 6.661 -9.021 25.648 383 HD2 TYR 52 HD1 TYR 52 6.111 -4.872 26.415 384 HE1 TYR 52 HE2 TYR 52 8.997 -8.855 26.398 385 HE2 TYR 52 HE1 TYR 52 8.446 -4.695 27.166 386 HH TYR 52 HH TYR 52 10.711 -7.285 26.748 387 H THR 53 H THR 53 3.182 -9.141 22.597 388 HA THR 53 HA THR 53 2.477 -11.188 24.555 389 HB THR 53 HB THR 53 1.463 -10.973 21.721 390 HG1 THR 53 HG1 THR 53 0.292 -9.877 24.078 391 HG21 THR 53 HG21 THR 53 -0.510 -11.971 23.398 392 HG22 THR 53 HG22 THR 53 0.970 -12.741 23.969 393 HG23 THR 53 HG23 THR 53 0.485 -12.904 22.281 394 H HIS 54 H HIS 54 2.871 -13.379 24.273 395 HA HIS 54 HA HIS 54 5.307 -14.112 23.124 396 HB2 HIS 54 HB2 HIS 54 3.023 -15.527 24.352 397 HB3 HIS 54 HB3 HIS 54 4.020 -16.497 23.272 398 HD1 HIS 54 HD1 HIS 54 4.237 -14.504 26.464 399 HD2 HIS 54 HD2 HIS 54 6.466 -17.255 24.290 400 HE1 HIS 54 HE1 HIS 54 6.141 -15.165 27.968 401 H GLU 55 H GLU 55 2.174 -13.807 21.728 402 HA GLU 55 HA GLU 55 2.684 -15.511 19.467 403 HB2 GLU 55 HB2 GLU 55 0.553 -13.388 19.663 404 HB3 GLU 55 HB3 GLU 55 0.549 -14.836 18.666 405 HG2 GLU 55 HG2 GLU 55 0.815 -15.748 21.289 406 HG3 GLU 55 HG3 GLU 55 -0.388 -14.461 21.355 407 H CYS 56 H CYS 56 3.492 -12.327 20.340 408 HA CYS 56 HA CYS 56 3.654 -11.282 17.655 409 HB2 CYS 56 HB2 CYS 56 3.262 -9.983 19.885 410 HB3 CYS 56 HB3 CYS 56 5.017 -10.040 20.023 411 H GLU 57 H GLU 57 5.421 -13.519 19.226 412 HA GLU 57 HA GLU 57 8.084 -12.818 18.993 413 HB2 GLU 57 HB2 GLU 57 6.789 -15.064 19.741 414 HB3 GLU 57 HB3 GLU 57 7.392 -15.578 18.172 415 HG2 GLU 57 HG2 GLU 57 9.669 -14.761 18.963 416 HG3 GLU 57 HG3 GLU 57 8.955 -14.696 20.573 417 H GLU 58 H GLU 58 5.796 -13.633 16.507 418 HA GLU 58 HA GLU 58 7.634 -14.239 14.443 419 HB2 GLU 58 HB2 GLU 58 4.782 -13.901 14.717 420 HB3 GLU 58 HB3 GLU 58 5.352 -13.104 13.257 421 HG2 GLU 58 HG2 GLU 58 5.416 -15.052 12.224 422 HG3 GLU 58 HG3 GLU 58 6.614 -15.627 13.383 423 H ALA 59 H ALA 59 6.141 -11.234 15.534 424 HA ALA 59 HA ALA 59 6.909 -9.553 13.453 425 HB1 ALA 59 HB1 ALA 59 6.271 -9.140 16.331 426 HB2 ALA 59 HB2 ALA 59 6.968 -7.805 15.414 427 HB3 ALA 59 HB3 ALA 59 5.449 -8.534 14.893 428 H ILE 60 H ILE 60 8.798 -11.007 15.950 429 HA ILE 60 HA ILE 60 10.938 -9.259 16.185 430 HB ILE 60 HB ILE 60 11.055 -12.277 16.187 431 HG12 ILE 60 HG12 ILE 60 9.434 -11.366 17.804 432 HG13 ILE 60 HG13 ILE 60 10.820 -12.088 18.614 433 HG21 ILE 60 HG21 ILE 60 13.013 -11.697 17.802 434 HG22 ILE 60 HG22 ILE 60 13.270 -11.652 16.059 435 HG23 ILE 60 HG23 ILE 60 13.009 -10.153 16.950 436 HD11 ILE 60 HD11 ILE 60 11.770 -9.856 18.947 437 HD12 ILE 60 HD12 ILE 60 10.353 -9.149 18.171 438 HD13 ILE 60 HD13 ILE 60 10.181 -10.025 19.693 439 H LYS 61 H LYS 61 10.429 -11.846 13.807 440 HA LYS 61 HA LYS 61 12.867 -11.168 12.400 441 HB2 LYS 61 HB2 LYS 61 12.106 -12.952 10.810 442 HB3 LYS 61 HB3 LYS 61 12.302 -13.493 12.472 443 HG2 LYS 61 HG2 LYS 61 9.929 -13.451 12.826 444 HG3 LYS 61 HG3 LYS 61 9.665 -12.727 11.238 445 HD2 LYS 61 HD2 LYS 61 11.093 -15.344 11.464 446 HD3 LYS 61 HD3 LYS 61 9.331 -15.291 11.570 447 HE2 LYS 61 HE2 LYS 61 9.184 -15.149 9.360 448 HE3 LYS 61 HE3 LYS 61 10.160 -13.681 9.372 449 HZ1 LYS 61 HZ1 LYS 61 11.541 -14.955 8.160 450 HZ2 LYS 61 HZ2 LYS 61 10.929 -16.414 8.761 451 HZ3 LYS 61 HZ3 LYS 61 12.047 -15.527 9.669 452 H ASN 62 H ASN 62 9.395 -10.754 11.991 453 HA ASN 62 HA ASN 62 9.427 -9.797 9.346 454 HB2 ASN 62 HB2 ASN 62 7.506 -10.058 11.485 455 HB3 ASN 62 HB3 ASN 62 7.311 -8.506 10.677 456 HD21 ASN 62 HD22 ASN 62 6.344 -8.437 8.747 457 HD22 ASN 62 HD21 ASN 62 5.835 -9.821 7.848 458 H ALA 63 H ALA 63 10.224 -8.305 12.366 459 HA ALA 63 HA ALA 63 10.197 -5.628 11.195 460 HB1 ALA 63 HB1 ALA 63 10.848 -4.934 13.532 461 HB2 ALA 63 HB2 ALA 63 9.260 -5.684 13.366 462 HB3 ALA 63 HB3 ALA 63 10.614 -6.617 14.004 463 HA PRO 64 HA PRO 64 14.508 -5.437 10.391 464 HB2 PRO 64 HB3 PRO 64 15.052 -2.843 10.979 465 HB3 PRO 64 HB2 PRO 64 14.140 -3.332 9.545 466 HG2 PRO 64 HG2 PRO 64 13.133 -2.310 12.173 467 HG3 PRO 64 HG3 PRO 64 12.602 -1.895 10.532 468 HD2 PRO 64 HD2 PRO 64 11.250 -3.636 12.105 469 HD3 PRO 64 HD3 PRO 64 11.305 -3.790 10.337 470 H ARG 65 H ARG 65 16.152 -6.222 11.536 471 HA ARG 65 HA ARG 65 16.421 -5.410 14.355 472 HB2 ARG 65 HB2 ARG 65 17.758 -7.615 14.498 473 HB3 ARG 65 HB3 ARG 65 16.004 -7.704 14.414 474 HG2 ARG 65 HG2 ARG 65 17.453 -7.796 11.843 475 HG3 ARG 65 HG3 ARG 65 17.622 -9.196 12.905 476 HD2 ARG 65 HD2 ARG 65 14.921 -8.636 12.994 477 HD3 ARG 65 HD3 ARG 65 15.350 -8.318 11.314 478 HE ARG 65 HE ARG 65 15.199 -10.865 12.593 479 HH11 ARG 65 HH11 ARG 65 16.828 -9.067 10.097 480 HH12 ARG 65 HH12 ARG 65 17.217 -10.470 9.158 481 HH21 ARG 65 HH22 ARG 65 15.705 -12.720 11.367 482 HH22 ARG 65 HH21 ARG 65 16.577 -12.548 9.881 483 HA PRO 66 HA PRO 66 20.408 -3.744 13.595 484 HB2 PRO 66 HB3 PRO 66 21.739 -4.423 15.862 485 HB3 PRO 66 HB2 PRO 66 20.480 -3.182 15.821 486 HG2 PRO 66 HG2 PRO 66 20.293 -6.043 16.684 487 HG3 PRO 66 HG3 PRO 66 19.603 -4.597 17.445 488 HD2 PRO 66 HD2 PRO 66 18.140 -6.267 15.895 489 HD3 PRO 66 HD3 PRO 66 17.824 -4.522 15.981 Start of MODEL 2 1 H1 VAL 1 H1 VAL 1 -6.194 -4.650 -0.611 2 HA VAL 1 HA VAL 1 -3.837 -4.056 1.056 3 HB VAL 1 HB VAL 1 -5.403 -2.443 2.288 4 HG11 VAL 1 HG11 VAL 1 -3.481 -1.809 0.829 5 HG12 VAL 1 HG12 VAL 1 -4.613 -1.675 -0.517 6 HG13 VAL 1 HG13 VAL 1 -4.775 -0.612 0.882 7 HG21 VAL 1 HG21 VAL 1 -7.191 -1.462 0.930 8 HG22 VAL 1 HG22 VAL 1 -6.892 -2.662 -0.327 9 HG23 VAL 1 HG23 VAL 1 -7.488 -3.170 1.253 10 HA PRO 2 HA PRO 2 -5.407 -6.871 4.037 11 HB2 PRO 2 HB3 PRO 2 -4.631 -5.691 6.356 12 HB3 PRO 2 HB2 PRO 2 -3.496 -6.475 5.250 13 HG2 PRO 2 HG2 PRO 2 -4.139 -3.567 5.560 14 HG3 PRO 2 HG3 PRO 2 -2.560 -4.348 5.353 15 HD2 PRO 2 HD2 PRO 2 -3.867 -3.142 3.311 16 HD3 PRO 2 HD3 PRO 2 -2.821 -4.557 3.072 17 H VAL 3 H VAL 3 -6.879 -7.105 5.877 18 HA VAL 3 HA VAL 3 -8.454 -4.976 6.856 19 HB VAL 3 HB VAL 3 -9.359 -4.965 4.570 20 HG11 VAL 3 HG11 VAL 3 -10.740 -7.545 4.889 21 HG12 VAL 3 HG12 VAL 3 -10.055 -6.791 3.448 22 HG13 VAL 3 HG13 VAL 3 -9.007 -7.643 4.582 23 HG21 VAL 3 HG21 VAL 3 -11.188 -5.912 6.765 24 HG22 VAL 3 HG22 VAL 3 -10.861 -4.255 6.259 25 HG23 VAL 3 HG23 VAL 3 -11.775 -5.334 5.206 26 H GLY 4 H GLY 4 -9.444 -5.613 8.684 27 HA2 GLY 4 HA2 GLY 4 -9.649 -8.523 9.151 28 HA3 GLY 4 HA3 GLY 4 -9.275 -7.351 10.406 29 H SER 5 H SER 5 -11.003 -5.664 10.775 30 HA SER 5 HA SER 5 -13.573 -7.043 10.928 31 HB2 SER 5 HB2 SER 5 -12.209 -5.590 12.793 32 HB3 SER 5 HB3 SER 5 -13.330 -4.380 12.169 33 HG SER 5 HG SER 5 -14.013 -5.856 13.986 34 H ASP 6 H ASP 6 -12.779 -6.086 8.381 35 HA ASP 6 HA ASP 6 -13.648 -4.990 6.587 36 HB2 ASP 6 HB2 ASP 6 -15.990 -4.133 8.265 37 HB3 ASP 6 HB3 ASP 6 -15.947 -4.528 6.549 38 H CYS 7 H CYS 7 -11.755 -3.605 7.921 39 HA CYS 7 HA CYS 7 -12.728 -0.911 8.428 40 HB2 CYS 7 HB2 CYS 7 -11.079 -1.515 9.977 41 HB3 CYS 7 HB3 CYS 7 -10.079 -2.290 8.752 42 H GLU 8 H GLU 8 -12.417 0.826 7.128 43 HA GLU 8 HA GLU 8 -11.095 0.327 4.541 44 HB2 GLU 8 HB2 GLU 8 -13.469 0.588 4.206 45 HB3 GLU 8 HB3 GLU 8 -13.491 2.052 5.179 46 HG2 GLU 8 HG2 GLU 8 -12.029 3.131 3.489 47 HG3 GLU 8 HG3 GLU 8 -12.187 1.685 2.494 48 HA PRO 9 HA PRO 9 -8.484 3.553 6.373 49 HB2 PRO 9 HB3 PRO 9 -6.357 3.028 4.769 50 HB3 PRO 9 HB2 PRO 9 -6.717 2.092 6.225 51 HG2 PRO 9 HG2 PRO 9 -7.317 1.451 3.363 52 HG3 PRO 9 HG3 PRO 9 -6.698 0.389 4.641 53 HD2 PRO 9 HD2 PRO 9 -9.299 0.397 3.887 54 HD3 PRO 9 HD3 PRO 9 -8.788 0.059 5.554 55 H LYS 10 H LYS 10 -7.969 5.591 5.665 56 HA LYS 10 HA LYS 10 -8.060 6.229 2.836 57 HB2 LYS 10 HB2 LYS 10 -10.423 6.384 4.129 58 HB3 LYS 10 HB3 LYS 10 -9.786 7.984 4.485 59 HG2 LYS 10 HG2 LYS 10 -9.741 8.601 2.242 60 HG3 LYS 10 HG3 LYS 10 -9.826 6.928 1.683 61 HD2 LYS 10 HD2 LYS 10 -12.126 6.793 2.612 62 HD3 LYS 10 HD3 LYS 10 -12.026 8.509 3.014 63 HE2 LYS 10 HE2 LYS 10 -11.887 9.125 0.730 64 HE3 LYS 10 HE3 LYS 10 -11.606 7.460 0.225 65 HZ1 LYS 10 HZ1 LYS 10 -13.991 8.670 0.163 66 HZ2 LYS 10 HZ2 LYS 10 -14.076 7.898 1.666 67 HZ3 LYS 10 HZ3 LYS 10 -13.784 6.995 0.266 68 H LEU 11 H LEU 11 -6.270 6.349 5.303 69 HA LEU 11 HA LEU 11 -4.813 8.627 4.612 70 HB2 LEU 11 HB2 LEU 11 -7.036 9.301 6.112 71 HB3 LEU 11 HB3 LEU 11 -5.732 9.252 7.297 72 HG LEU 11 HG LEU 11 -5.581 10.869 4.761 73 HD11 LEU 11 HD11 LEU 11 -6.238 12.008 7.451 74 HD12 LEU 11 HD12 LEU 11 -7.508 11.453 6.362 75 HD13 LEU 11 HD13 LEU 11 -6.415 12.741 5.857 76 HD21 LEU 11 HD21 LEU 11 -4.001 12.118 6.491 77 HD22 LEU 11 HD22 LEU 11 -3.432 10.777 5.498 78 HD23 LEU 11 HD23 LEU 11 -3.899 10.495 7.176 79 H CYS 12 H CYS 12 -2.797 8.185 5.199 80 HA CYS 12 HA CYS 12 -2.131 7.206 7.809 81 HB2 CYS 12 HB2 CYS 12 -1.241 5.074 7.221 82 HB3 CYS 12 HB3 CYS 12 -2.873 5.135 6.563 83 H THR 13 H THR 13 0.246 6.888 8.043 84 HA THR 13 HA THR 13 1.743 8.501 6.082 85 HB THR 13 HB THR 13 3.105 8.842 8.469 86 HG1 THR 13 HG1 THR 13 1.608 8.417 9.929 87 HG21 THR 13 HG21 THR 13 1.911 11.155 8.368 88 HG22 THR 13 HG22 THR 13 1.223 10.533 6.869 89 HG23 THR 13 HG23 THR 13 2.972 10.668 7.046 90 H MET 14 H MET 14 3.252 7.315 5.128 91 HA MET 14 HA MET 14 4.026 4.758 5.806 92 HB2 MET 14 HB2 MET 14 6.115 5.286 4.425 93 HB3 MET 14 HB3 MET 14 4.557 5.478 3.633 94 HG2 MET 14 HG2 MET 14 4.666 7.811 3.728 95 HG3 MET 14 HG3 MET 14 5.953 7.787 4.931 96 HE1 MET 14 HE1 MET 14 7.819 9.423 2.001 97 HE2 MET 14 HE2 MET 14 6.059 9.526 1.938 98 HE3 MET 14 HE3 MET 14 6.895 9.662 3.484 99 H ASP 15 H ASP 15 5.662 3.843 6.989 100 HA ASP 15 HA ASP 15 7.795 5.278 8.164 101 HB2 ASP 15 HB2 ASP 15 5.627 5.964 9.491 102 HB3 ASP 15 HB3 ASP 15 5.853 4.398 10.264 103 H LEU 16 H LEU 16 8.774 3.886 10.047 104 HA LEU 16 HA LEU 16 8.582 1.068 9.210 105 HB2 LEU 16 HB2 LEU 16 10.924 0.869 10.020 106 HB3 LEU 16 HB3 LEU 16 10.721 1.936 8.632 107 HG LEU 16 HG LEU 16 10.568 3.587 10.896 108 HD11 LEU 16 HD11 LEU 16 12.467 1.338 11.241 109 HD12 LEU 16 HD12 LEU 16 11.595 2.283 12.446 110 HD13 LEU 16 HD13 LEU 16 13.027 2.955 11.667 111 HD21 LEU 16 HD21 LEU 16 12.444 3.109 8.642 112 HD22 LEU 16 HD22 LEU 16 12.987 4.132 9.972 113 HD23 LEU 16 HD23 LEU 16 11.532 4.557 9.071 114 H VAL 17 H VAL 17 6.749 1.782 11.024 115 HA VAL 17 HA VAL 17 7.836 0.923 13.624 116 HB VAL 17 HB VAL 17 5.264 2.401 13.049 117 HG11 VAL 17 HG11 VAL 17 6.490 1.378 15.594 118 HG12 VAL 17 HG12 VAL 17 5.302 2.682 15.578 119 HG13 VAL 17 HG13 VAL 17 4.871 1.087 14.960 120 HG21 VAL 17 HG21 VAL 17 6.389 4.310 13.264 121 HG22 VAL 17 HG22 VAL 17 7.153 3.755 14.754 122 HG23 VAL 17 HG23 VAL 17 7.880 3.371 13.193 123 HA PRO 18 HA PRO 18 5.429 -2.707 12.117 124 HB2 PRO 18 HB3 PRO 18 7.110 -4.541 13.204 125 HB3 PRO 18 HB2 PRO 18 7.379 -3.813 11.616 126 HG2 PRO 18 HG2 PRO 18 8.608 -3.112 14.254 127 HG3 PRO 18 HG3 PRO 18 9.379 -3.254 12.663 128 HD2 PRO 18 HD2 PRO 18 8.706 -0.866 13.749 129 HD3 PRO 18 HD3 PRO 18 8.679 -1.160 11.998 130 H HIS 19 H HIS 19 3.665 -2.990 13.330 131 HA HIS 19 HA HIS 19 4.025 -3.651 16.177 132 HB2 HIS 19 HB2 HIS 19 2.284 -1.614 14.913 133 HB3 HIS 19 HB3 HIS 19 1.555 -2.566 16.203 134 HD1 HIS 19 HD1 HIS 19 2.756 0.570 16.000 135 HD2 HIS 19 HD2 HIS 19 3.997 -2.638 18.330 136 HE1 HIS 19 HE1 HIS 19 3.979 1.587 17.948 137 H CYS 20 H CYS 20 2.328 -4.980 17.098 138 HA CYS 20 HA CYS 20 1.238 -6.834 15.104 139 HB2 CYS 20 HB2 CYS 20 2.715 -7.398 17.285 140 HB3 CYS 20 HB3 CYS 20 1.105 -7.495 17.992 141 H PHE 21 H PHE 21 -0.916 -7.392 15.042 142 HA PHE 21 HA PHE 21 -2.757 -6.184 16.946 143 HB2 PHE 21 HB2 PHE 21 -2.400 -5.264 14.177 144 HB3 PHE 21 HB3 PHE 21 -4.069 -5.617 14.611 145 HD1 PHE 21 HD1 PHE 21 -1.105 -3.619 15.553 146 HD2 PHE 21 HD2 PHE 21 -5.309 -4.148 15.960 147 HE1 PHE 21 HE1 PHE 21 -1.268 -1.434 16.672 148 HE2 PHE 21 HE2 PHE 21 -5.479 -1.964 17.078 149 HZ PHE 21 HZ PHE 21 -3.457 -0.603 17.435 150 H LEU 22 H LEU 22 -4.984 -6.986 16.670 151 HA LEU 22 HA LEU 22 -4.942 -9.756 15.703 152 HB2 LEU 22 HB2 LEU 22 -5.934 -8.515 18.051 153 HB3 LEU 22 HB3 LEU 22 -7.314 -9.148 17.157 154 HG LEU 22 HG LEU 22 -6.222 -11.377 17.144 155 HD11 LEU 22 HD11 LEU 22 -4.353 -10.456 19.267 156 HD12 LEU 22 HD12 LEU 22 -3.912 -10.193 17.580 157 HD13 LEU 22 HD13 LEU 22 -4.228 -11.827 18.164 158 HD21 LEU 22 HD21 LEU 22 -6.593 -11.833 19.555 159 HD22 LEU 22 HD22 LEU 22 -7.897 -10.911 18.805 160 HD23 LEU 22 HD23 LEU 22 -6.715 -10.094 19.829 161 H ASN 23 H ASN 23 -6.195 -10.413 14.064 162 HA ASN 23 HA ASN 23 -8.144 -8.488 12.979 163 HB2 ASN 23 HB2 ASN 23 -6.070 -10.152 11.695 164 HB3 ASN 23 HB3 ASN 23 -7.627 -10.126 10.872 165 HD21 ASN 23 HD22 ASN 23 -7.223 -8.876 9.162 166 HD22 ASN 23 HD21 ASN 23 -6.646 -7.249 9.239 167 HA PRO 24 HA PRO 24 -11.125 -11.624 14.014 168 HB2 PRO 24 HB3 PRO 24 -13.270 -10.345 12.949 169 HB3 PRO 24 HB2 PRO 24 -12.548 -9.886 14.497 170 HG2 PRO 24 HG2 PRO 24 -12.174 -8.655 11.794 171 HG3 PRO 24 HG3 PRO 24 -12.397 -7.861 13.363 172 HD2 PRO 24 HD2 PRO 24 -9.967 -8.135 12.202 173 HD3 PRO 24 HD3 PRO 24 -10.190 -8.146 13.963 174 H GLU 25 H GLU 25 -10.059 -10.683 10.942 175 HA GLU 25 HA GLU 25 -11.744 -12.692 9.610 176 HB2 GLU 25 HB2 GLU 25 -10.857 -10.080 8.842 177 HB3 GLU 25 HB3 GLU 25 -10.201 -11.257 7.713 178 HG2 GLU 25 HG2 GLU 25 -13.086 -10.758 8.381 179 HG3 GLU 25 HG3 GLU 25 -12.270 -10.510 6.838 180 H LYS 26 H LYS 26 -8.582 -12.037 10.699 181 HA LYS 26 HA LYS 26 -7.614 -14.458 9.343 182 HB2 LYS 26 HB2 LYS 26 -5.596 -12.358 9.823 183 HB3 LYS 26 HB3 LYS 26 -5.769 -13.467 8.470 184 HG2 LYS 26 HG2 LYS 26 -7.810 -11.982 7.855 185 HG3 LYS 26 HG3 LYS 26 -7.025 -10.795 8.899 186 HD2 LYS 26 HD2 LYS 26 -5.883 -10.211 7.061 187 HD3 LYS 26 HD3 LYS 26 -4.943 -11.676 7.355 188 HE2 LYS 26 HE2 LYS 26 -5.543 -12.154 5.233 189 HE3 LYS 26 HE3 LYS 26 -7.024 -12.718 6.005 190 HZ1 LYS 26 HZ1 LYS 26 -7.927 -10.437 5.629 191 HZ2 LYS 26 HZ2 LYS 26 -7.641 -11.321 4.215 192 HZ3 LYS 26 HZ3 LYS 26 -6.565 -10.104 4.684 193 H GLY 27 H GLY 27 -6.384 -12.070 11.700 194 HA2 GLY 27 HA2 GLY 27 -6.581 -13.118 14.083 195 HA3 GLY 27 HA3 GLY 27 -5.491 -14.304 13.380 196 H ILE 28 H ILE 28 -3.911 -13.761 14.948 197 HA ILE 28 HA ILE 28 -2.912 -11.171 15.371 198 HB ILE 28 HB ILE 28 -2.387 -12.871 16.964 199 HG12 ILE 28 HG12 ILE 28 -0.578 -11.088 16.089 200 HG13 ILE 28 HG13 ILE 28 -0.253 -12.202 17.412 201 HG21 ILE 28 HG21 ILE 28 -1.072 -14.307 14.668 202 HG22 ILE 28 HG22 ILE 28 -0.849 -14.755 16.359 203 HG23 ILE 28 HG23 ILE 28 -2.452 -14.841 15.628 204 HD11 ILE 28 HD11 ILE 28 1.068 -13.576 16.090 205 HD12 ILE 28 HD12 ILE 28 0.403 -12.935 14.588 206 HD13 ILE 28 HD13 ILE 28 1.497 -11.950 15.561 207 H VAL 29 H VAL 29 -1.619 -9.900 14.210 208 HA VAL 29 HA VAL 29 0.265 -11.027 12.309 209 HB VAL 29 HB VAL 29 -1.903 -9.123 11.412 210 HG11 VAL 29 HG11 VAL 29 0.723 -9.839 10.293 211 HG12 VAL 29 HG12 VAL 29 -0.625 -9.874 9.154 212 HG13 VAL 29 HG13 VAL 29 -0.262 -8.397 10.048 213 HG21 VAL 29 HG21 VAL 29 -2.477 -10.971 9.847 214 HG22 VAL 29 HG22 VAL 29 -1.329 -11.998 10.707 215 HG23 VAL 29 HG23 VAL 29 -2.749 -11.369 11.544 216 H VAL 30 H VAL 30 1.974 -9.668 11.834 217 HA VAL 30 HA VAL 30 1.967 -7.053 13.195 218 HB VAL 30 HB VAL 30 3.357 -8.607 14.453 219 HG11 VAL 30 HG11 VAL 30 4.763 -10.094 13.548 220 HG12 VAL 30 HG12 VAL 30 3.934 -9.744 12.030 221 HG13 VAL 30 HG13 VAL 30 5.437 -8.911 12.426 222 HG21 VAL 30 HG21 VAL 30 4.618 -6.828 14.879 223 HG22 VAL 30 HG22 VAL 30 5.628 -7.232 13.491 224 HG23 VAL 30 HG23 VAL 30 4.246 -6.155 13.292 225 H VAL 31 H VAL 31 2.412 -5.372 11.932 226 HA VAL 31 HA VAL 31 4.145 -5.695 9.609 227 HB VAL 31 HB VAL 31 1.468 -4.360 9.267 228 HG11 VAL 31 HG11 VAL 31 2.178 -5.101 6.820 229 HG12 VAL 31 HG12 VAL 31 2.742 -3.592 7.540 230 HG13 VAL 31 HG13 VAL 31 3.788 -5.012 7.534 231 HG21 VAL 31 HG21 VAL 31 0.994 -6.668 9.774 232 HG22 VAL 31 HG22 VAL 31 0.766 -6.401 8.046 233 HG23 VAL 31 HG23 VAL 31 2.220 -7.211 8.629 234 H HIS 32 H HIS 32 4.894 -3.671 8.731 235 HA HIS 32 HA HIS 32 4.802 -1.505 10.720 236 HB2 HIS 32 HB2 HIS 32 6.946 -0.763 9.520 237 HB3 HIS 32 HB3 HIS 32 7.041 -2.204 10.527 238 HD1 HIS 32 HD1 HIS 32 6.879 -1.178 6.898 239 HD2 HIS 32 HD2 HIS 32 7.807 -4.496 9.220 240 HE1 HIS 32 HE1 HIS 32 7.866 -2.857 5.307 241 H GLY 33 H GLY 33 4.632 0.664 10.018 242 HA2 GLY 33 HA2 GLY 33 4.501 2.202 8.087 243 HA3 GLY 33 HA3 GLY 33 3.567 0.954 7.276 244 H GLY 34 H GLY 34 3.120 3.859 8.317 245 HA2 GLY 34 HA2 GLY 34 1.191 3.938 10.287 246 HA3 GLY 34 HA3 GLY 34 1.253 5.051 8.928 247 H CYS 35 H CYS 35 0.828 2.971 6.933 248 HA CYS 35 HA CYS 35 -2.014 3.006 6.907 249 HB2 CYS 35 HB2 CYS 35 0.140 2.207 5.105 250 HB3 CYS 35 HB3 CYS 35 -1.256 1.140 5.004 251 H ALA 36 H ALA 36 0.398 0.513 7.571 252 HA ALA 36 HA ALA 36 -1.439 -1.636 7.800 253 HB1 ALA 36 HB1 ALA 36 0.575 -2.594 7.586 254 HB2 ALA 36 HB2 ALA 36 1.416 -1.204 8.274 255 HB3 ALA 36 HB3 ALA 36 0.680 -2.403 9.337 256 H LEU 37 H LEU 37 -0.089 0.664 10.107 257 HA LEU 37 HA LEU 37 -1.262 -0.616 12.393 258 HB2 LEU 37 HB2 LEU 37 0.822 0.826 12.368 259 HB3 LEU 37 HB3 LEU 37 -0.256 2.213 12.228 260 HG LEU 37 HG LEU 37 -1.256 1.645 14.394 261 HD11 LEU 37 HD11 LEU 37 0.666 -0.652 14.243 262 HD12 LEU 37 HD12 LEU 37 -1.064 -0.674 14.585 263 HD13 LEU 37 HD13 LEU 37 0.064 -0.046 15.787 264 HD21 LEU 37 HD21 LEU 37 1.718 2.022 14.234 265 HD22 LEU 37 HD22 LEU 37 0.860 2.022 15.774 266 HD23 LEU 37 HD23 LEU 37 0.466 3.225 14.546 267 H SER 38 H SER 38 -2.018 2.210 10.400 268 HA SER 38 HA SER 38 -4.192 3.152 11.904 269 HB2 SER 38 HB2 SER 38 -3.499 3.416 8.977 270 HB3 SER 38 HB3 SER 38 -4.897 4.214 9.698 271 HG SER 38 HG SER 38 -3.492 5.717 10.144 272 H LYS 39 H LYS 39 -3.993 0.772 9.309 273 HA LYS 39 HA LYS 39 -6.756 0.408 8.920 274 HB2 LYS 39 HB2 LYS 39 -4.324 -1.250 8.359 275 HB3 LYS 39 HB3 LYS 39 -5.923 -1.950 8.141 276 HG2 LYS 39 HG2 LYS 39 -6.454 -0.528 6.398 277 HG3 LYS 39 HG3 LYS 39 -5.249 0.671 6.875 278 HD2 LYS 39 HD2 LYS 39 -3.647 -1.437 6.374 279 HD3 LYS 39 HD3 LYS 39 -4.959 -1.771 5.241 280 HE2 LYS 39 HE2 LYS 39 -4.130 1.022 5.239 281 HE3 LYS 39 HE3 LYS 39 -2.826 -0.082 4.806 282 HZ1 LYS 39 HZ1 LYS 39 -5.313 -0.704 3.514 283 HZ2 LYS 39 HZ2 LYS 39 -3.767 -0.522 2.851 284 HZ3 LYS 39 HZ3 LYS 39 -4.737 0.837 3.120 285 H TYR 40 H TYR 40 -4.443 -1.501 10.847 286 HA TYR 40 HA TYR 40 -6.426 -3.186 11.975 287 HB2 TYR 40 HB2 TYR 40 -3.625 -2.560 12.932 288 HB3 TYR 40 HB3 TYR 40 -4.634 -3.865 13.547 289 HD1 TYR 40 HD1 TYR 40 -5.816 -4.772 10.921 290 HD2 TYR 40 HD2 TYR 40 -1.827 -3.791 12.029 291 HE1 TYR 40 HE1 TYR 40 -4.967 -6.263 9.159 292 HE2 TYR 40 HE2 TYR 40 -0.967 -5.278 10.269 293 HH TYR 40 HH TYR 40 -2.067 -7.484 9.025 294 H LYS 41 H LYS 41 -5.297 -0.022 12.729 295 HA LYS 41 HA LYS 41 -6.265 -0.045 15.454 296 HB2 LYS 41 HB2 LYS 41 -4.310 1.308 14.853 297 HB3 LYS 41 HB3 LYS 41 -5.289 2.236 13.724 298 HG2 LYS 41 HG2 LYS 41 -6.046 3.571 15.331 299 HG3 LYS 41 HG3 LYS 41 -6.423 2.212 16.393 300 HD2 LYS 41 HD2 LYS 41 -3.911 2.095 16.842 301 HD3 LYS 41 HD3 LYS 41 -3.821 3.687 16.086 302 HE2 LYS 41 HE2 LYS 41 -5.058 4.695 17.771 303 HE3 LYS 41 HE3 LYS 41 -5.778 3.172 18.290 304 HZ1 LYS 41 HZ1 LYS 41 -4.014 2.672 19.579 305 HZ2 LYS 41 HZ2 LYS 41 -3.801 4.350 19.591 306 HZ3 LYS 41 HZ3 LYS 41 -2.888 3.389 18.541 307 H CYS 42 H CYS 42 -7.466 0.744 12.309 308 HA CYS 42 HA CYS 42 -9.653 2.365 13.260 309 HB2 CYS 42 HB2 CYS 42 -9.457 3.051 11.133 310 HB3 CYS 42 HB3 CYS 42 -8.508 1.635 10.692 311 H GLN 43 H GLN 43 -9.237 -0.933 12.032 312 HA GLN 43 HA GLN 43 -11.932 -1.688 12.051 313 HB2 GLN 43 HB2 GLN 43 -10.956 -4.043 12.333 314 HB3 GLN 43 HB3 GLN 43 -10.477 -3.129 10.909 315 HG2 GLN 43 HG2 GLN 43 -8.348 -3.341 11.450 316 HG3 GLN 43 HG3 GLN 43 -8.640 -2.573 13.010 317 HE21 GLN 43 HE22 GLN 43 -9.226 -5.692 11.416 318 HE22 GLN 43 HE21 GLN 43 -8.751 -6.663 12.764 319 H ASN 44 H ASN 44 -9.454 -1.898 14.574 320 HA ASN 44 HA ASN 44 -11.570 -2.047 16.577 321 HB2 ASN 44 HB2 ASN 44 -9.299 -4.039 16.402 322 HB3 ASN 44 HB3 ASN 44 -10.396 -3.888 17.771 323 HD21 ASN 44 HD22 ASN 44 -12.678 -4.255 17.359 324 HD22 ASN 44 HD21 ASN 44 -13.139 -5.390 16.141 325 HA PRO 45 HA PRO 45 -8.183 0.898 17.684 326 HB2 PRO 45 HB3 PRO 45 -9.864 2.849 18.544 327 HB3 PRO 45 HB2 PRO 45 -9.393 2.665 16.850 328 HG2 PRO 45 HG2 PRO 45 -11.895 1.771 18.229 329 HG3 PRO 45 HG3 PRO 45 -11.706 2.543 16.644 330 HD2 PRO 45 HD2 PRO 45 -12.080 -0.123 16.931 331 HD3 PRO 45 HD3 PRO 45 -11.112 0.569 15.614 332 H ASN 46 H ASN 46 -10.639 -0.795 19.286 333 HA ASN 46 HA ASN 46 -9.792 0.156 21.929 334 HB2 ASN 46 HB2 ASN 46 -11.780 -0.853 22.808 335 HB3 ASN 46 HB3 ASN 46 -12.244 0.040 21.363 336 HD21 ASN 46 HD22 ASN 46 -13.078 -2.539 22.925 337 HD22 ASN 46 HD21 ASN 46 -13.409 -3.650 21.644 338 H HIS 47 H HIS 47 -9.428 -2.444 19.747 339 HA HIS 47 HA HIS 47 -9.053 -4.634 21.410 340 HB2 HIS 47 HB2 HIS 47 -8.298 -3.886 18.688 341 HB3 HIS 47 HB3 HIS 47 -7.139 -4.975 19.443 342 HD1 HIS 47 HD1 HIS 47 -10.850 -5.145 20.069 343 HD2 HIS 47 HD2 HIS 47 -7.883 -7.235 18.047 344 HE1 HIS 47 HE1 HIS 47 -11.928 -7.291 19.324 345 H GLU 48 H GLU 48 -6.917 -5.708 21.878 346 HA GLU 48 HA GLU 48 -5.150 -3.737 23.132 347 HB2 GLU 48 HB2 GLU 48 -6.272 -5.934 24.209 348 HB3 GLU 48 HB3 GLU 48 -4.766 -6.634 23.632 349 HG2 GLU 48 HG2 GLU 48 -3.490 -5.031 24.919 350 HG3 GLU 48 HG3 GLU 48 -4.975 -4.241 25.446 351 H LYS 49 H LYS 49 -3.570 -3.108 21.800 352 HA LYS 49 HA LYS 49 -2.507 -4.625 19.685 353 HB2 LYS 49 HB2 LYS 49 -2.309 -2.222 19.680 354 HB3 LYS 49 HB3 LYS 49 -1.387 -2.249 21.177 355 HG2 LYS 49 HG2 LYS 49 0.417 -3.460 20.000 356 HG3 LYS 49 HG3 LYS 49 -0.499 -3.301 18.499 357 HD2 LYS 49 HD2 LYS 49 0.878 -1.478 18.327 358 HD3 LYS 49 HD3 LYS 49 -0.494 -0.750 19.166 359 HE2 LYS 49 HE2 LYS 49 0.767 -1.383 21.320 360 HE3 LYS 49 HE3 LYS 49 2.169 -1.580 20.270 361 HZ1 LYS 49 HZ1 LYS 49 1.360 0.797 19.476 362 HZ2 LYS 49 HZ2 LYS 49 2.415 0.593 20.783 363 HZ3 LYS 49 HZ3 LYS 49 0.766 0.850 21.059 364 H LEU 50 H LEU 50 -1.418 -6.463 19.891 365 HA LEU 50 HA LEU 50 -0.050 -7.215 22.271 366 HB2 LEU 50 HB2 LEU 50 -0.013 -8.414 19.506 367 HB3 LEU 50 HB3 LEU 50 0.708 -9.158 20.932 368 HG LEU 50 HG LEU 50 -2.205 -8.485 20.921 369 HD11 LEU 50 HD11 LEU 50 -0.874 -10.766 19.503 370 HD12 LEU 50 HD12 LEU 50 -2.138 -9.684 18.921 371 HD13 LEU 50 HD13 LEU 50 -2.513 -10.903 20.138 372 HD21 LEU 50 HD21 LEU 50 -2.185 -10.605 22.322 373 HD22 LEU 50 HD22 LEU 50 -1.407 -9.184 23.019 374 HD23 LEU 50 HD23 LEU 50 -0.426 -10.468 22.311 375 H GLY 51 H GLY 51 2.007 -6.908 22.857 376 HA2 GLY 51 HA2 GLY 51 3.937 -6.078 20.786 377 HA3 GLY 51 HA3 GLY 51 3.789 -5.173 22.285 378 H TYR 52 H TYR 52 5.679 -7.319 20.773 379 HA TYR 52 HA TYR 52 7.226 -8.872 21.395 380 HB2 TYR 52 HB2 TYR 52 7.916 -6.800 22.695 381 HB3 TYR 52 HB3 TYR 52 7.136 -7.528 24.096 382 HD1 TYR 52 HD2 TYR 52 9.690 -8.325 21.490 383 HD2 TYR 52 HD1 TYR 52 8.403 -8.850 25.511 384 HE1 TYR 52 HE2 TYR 52 11.752 -9.572 21.980 385 HE2 TYR 52 HE1 TYR 52 10.462 -10.098 26.013 386 HH TYR 52 HH TYR 52 12.262 -11.125 25.104 387 H THR 53 H THR 53 4.422 -9.556 21.804 388 HA THR 53 HA THR 53 4.380 -11.146 24.235 389 HB THR 53 HB THR 53 2.249 -11.316 22.138 390 HG1 THR 53 HG1 THR 53 1.326 -9.411 23.005 391 HG21 THR 53 HG21 THR 53 1.789 -12.720 23.939 392 HG22 THR 53 HG22 THR 53 0.878 -11.263 24.333 393 HG23 THR 53 HG23 THR 53 2.425 -11.576 25.120 394 H HIS 54 H HIS 54 3.999 -13.427 24.239 395 HA HIS 54 HA HIS 54 5.702 -14.897 22.595 396 HB2 HIS 54 HB2 HIS 54 3.821 -15.446 24.726 397 HB3 HIS 54 HB3 HIS 54 3.762 -16.707 23.498 398 HD1 HIS 54 HD1 HIS 54 4.883 -18.444 25.020 399 HD2 HIS 54 HD2 HIS 54 7.186 -15.047 24.371 400 HE1 HIS 54 HE1 HIS 54 7.179 -19.016 25.872 401 H GLU 55 H GLU 55 2.475 -13.829 22.062 402 HA GLU 55 HA GLU 55 1.841 -15.781 20.045 403 HB2 GLU 55 HB2 GLU 55 0.497 -13.149 20.687 404 HB3 GLU 55 HB3 GLU 55 -0.156 -14.411 19.651 405 HG2 GLU 55 HG2 GLU 55 0.076 -15.916 21.737 406 HG3 GLU 55 HG3 GLU 55 0.179 -14.393 22.619 407 H CYS 56 H CYS 56 3.292 -12.620 20.159 408 HA CYS 56 HA CYS 56 3.334 -12.511 17.220 409 HB2 CYS 56 HB2 CYS 56 3.821 -10.325 19.254 410 HB3 CYS 56 HB3 CYS 56 3.915 -10.119 17.508 411 H GLU 57 H GLU 57 5.066 -14.239 18.757 412 HA GLU 57 HA GLU 57 7.606 -13.282 19.249 413 HB2 GLU 57 HB2 GLU 57 6.382 -15.851 18.825 414 HB3 GLU 57 HB3 GLU 57 7.949 -15.802 18.030 415 HG2 GLU 57 HG2 GLU 57 9.008 -15.144 20.115 416 HG3 GLU 57 HG3 GLU 57 7.441 -15.141 20.922 417 H GLU 58 H GLU 58 6.152 -14.210 16.172 418 HA GLU 58 HA GLU 58 8.465 -14.088 14.589 419 HB2 GLU 58 HB2 GLU 58 5.611 -13.487 13.792 420 HB3 GLU 58 HB3 GLU 58 6.931 -13.837 12.686 421 HG2 GLU 58 HG2 GLU 58 6.585 -16.010 12.878 422 HG3 GLU 58 HG3 GLU 58 6.732 -15.924 14.632 423 H ALA 59 H ALA 59 6.316 -11.599 15.772 424 HA ALA 59 HA ALA 59 7.129 -9.510 14.057 425 HB1 ALA 59 HB1 ALA 59 5.084 -9.413 15.399 426 HB2 ALA 59 HB2 ALA 59 6.055 -9.325 16.869 427 HB3 ALA 59 HB3 ALA 59 6.119 -8.015 15.691 428 H ILE 60 H ILE 60 8.457 -10.803 17.029 429 HA ILE 60 HA ILE 60 10.135 -8.759 17.827 430 HB ILE 60 HB ILE 60 10.742 -11.717 17.905 431 HG12 ILE 60 HG12 ILE 60 9.409 -9.920 19.944 432 HG13 ILE 60 HG13 ILE 60 8.601 -11.146 18.973 433 HG21 ILE 60 HG21 ILE 60 11.821 -10.287 20.109 434 HG22 ILE 60 HG22 ILE 60 12.673 -11.189 18.857 435 HG23 ILE 60 HG23 ILE 60 12.322 -9.476 18.625 436 HD11 ILE 60 HD11 ILE 60 9.076 -12.692 20.474 437 HD12 ILE 60 HD12 ILE 60 10.798 -12.331 20.358 438 HD13 ILE 60 HD13 ILE 60 9.785 -11.441 21.495 439 H LYS 61 H LYS 61 10.725 -11.276 15.402 440 HA LYS 61 HA LYS 61 13.341 -10.215 14.771 441 HB2 LYS 61 HB2 LYS 61 13.366 -11.997 13.040 442 HB3 LYS 61 HB3 LYS 61 13.050 -12.608 14.659 443 HG2 LYS 61 HG2 LYS 61 10.686 -12.784 14.164 444 HG3 LYS 61 HG3 LYS 61 10.950 -12.088 12.563 445 HD2 LYS 61 HD2 LYS 61 10.943 -14.316 12.036 446 HD3 LYS 61 HD3 LYS 61 12.663 -14.082 12.354 447 HE2 LYS 61 HE2 LYS 61 11.754 -14.659 14.840 448 HE3 LYS 61 HE3 LYS 61 10.644 -15.610 13.855 449 HZ1 LYS 61 HZ1 LYS 61 12.226 -17.106 13.542 450 HZ2 LYS 61 HZ2 LYS 61 13.262 -16.233 14.555 451 HZ3 LYS 61 HZ3 LYS 61 13.266 -15.943 12.888 452 H ASN 62 H ASN 62 10.107 -10.212 13.387 453 HA ASN 62 HA ASN 62 10.752 -9.130 10.874 454 HB2 ASN 62 HB2 ASN 62 8.576 -10.151 11.341 455 HB3 ASN 62 HB3 ASN 62 8.200 -8.859 12.477 456 HD21 ASN 62 HD22 ASN 62 8.995 -9.482 9.096 457 HD22 ASN 62 HD21 ASN 62 8.073 -8.170 8.453 458 H ALA 63 H ALA 63 10.506 -7.703 14.012 459 HA ALA 63 HA ALA 63 10.430 -4.992 12.927 460 HB1 ALA 63 HB1 ALA 63 10.016 -6.193 15.615 461 HB2 ALA 63 HB2 ALA 63 10.566 -4.519 15.522 462 HB3 ALA 63 HB3 ALA 63 9.054 -4.994 14.749 463 HA PRO 64 HA PRO 64 14.722 -4.159 13.305 464 HB2 PRO 64 HB3 PRO 64 14.739 -1.617 14.256 465 HB3 PRO 64 HB2 PRO 64 14.270 -2.020 12.600 466 HG2 PRO 64 HG2 PRO 64 12.538 -1.462 14.978 467 HG3 PRO 64 HG3 PRO 64 12.355 -0.904 13.304 468 HD2 PRO 64 HD2 PRO 64 10.930 -2.974 14.314 469 HD3 PRO 64 HD3 PRO 64 11.422 -2.894 12.610 470 H ARG 65 H ARG 65 15.816 -5.291 14.806 471 HA ARG 65 HA ARG 65 15.579 -4.442 17.618 472 HB2 ARG 65 HB2 ARG 65 16.532 -6.803 18.058 473 HB3 ARG 65 HB3 ARG 65 14.838 -6.653 17.610 474 HG2 ARG 65 HG2 ARG 65 15.128 -7.692 15.626 475 HG3 ARG 65 HG3 ARG 65 16.750 -7.037 15.395 476 HD2 ARG 65 HD2 ARG 65 17.491 -9.074 15.925 477 HD3 ARG 65 HD3 ARG 65 17.041 -8.680 17.584 478 HE ARG 65 HE ARG 65 14.801 -9.692 16.208 479 HH11 ARG 65 HH11 ARG 65 17.849 -10.714 17.544 480 HH12 ARG 65 HH12 ARG 65 17.321 -12.336 17.848 481 HH21 ARG 65 HH22 ARG 65 14.093 -11.825 16.605 482 HH22 ARG 65 HH21 ARG 65 15.185 -12.967 17.313 483 HA PRO 66 HA PRO 66 19.832 -3.369 17.701 484 HB2 PRO 66 HB3 PRO 66 20.555 -4.137 20.202 485 HB3 PRO 66 HB2 PRO 66 19.521 -2.738 19.888 486 HG2 PRO 66 HG2 PRO 66 18.755 -5.511 20.716 487 HG3 PRO 66 HG3 PRO 66 18.135 -3.956 21.302 488 HD2 PRO 66 HD2 PRO 66 16.802 -5.467 19.493 489 HD3 PRO 66 HD3 PRO 66 16.727 -3.694 19.496 Start of MODEL 3 1 H1 VAL 1 H1 VAL 1 -7.444 -10.672 2.307 2 HA VAL 1 HA VAL 1 -4.756 -10.370 3.454 3 HB VAL 1 HB VAL 1 -4.920 -7.904 2.764 4 HG11 VAL 1 HG11 VAL 1 -3.467 -9.807 1.783 5 HG12 VAL 1 HG12 VAL 1 -4.571 -9.717 0.408 6 HG13 VAL 1 HG13 VAL 1 -3.629 -8.301 0.880 7 HG21 VAL 1 HG21 VAL 1 -6.635 -8.926 0.533 8 HG22 VAL 1 HG22 VAL 1 -7.364 -8.300 2.012 9 HG23 VAL 1 HG23 VAL 1 -6.328 -7.263 1.032 10 HA PRO 2 HA PRO 2 -6.777 -8.846 7.041 11 HB2 PRO 2 HB3 PRO 2 -4.975 -7.030 7.949 12 HB3 PRO 2 HB2 PRO 2 -4.708 -8.775 8.038 13 HG2 PRO 2 HG2 PRO 2 -3.669 -6.800 6.043 14 HG3 PRO 2 HG3 PRO 2 -2.820 -8.137 6.840 15 HD2 PRO 2 HD2 PRO 2 -3.768 -8.314 4.309 16 HD3 PRO 2 HD3 PRO 2 -3.690 -9.713 5.400 17 H VAL 3 H VAL 3 -7.846 -7.028 7.972 18 HA VAL 3 HA VAL 3 -9.217 -5.210 7.817 19 HB VAL 3 HB VAL 3 -6.955 -3.861 6.358 20 HG11 VAL 3 HG11 VAL 3 -7.858 -2.061 8.112 21 HG12 VAL 3 HG12 VAL 3 -8.560 -2.263 6.505 22 HG13 VAL 3 HG13 VAL 3 -9.330 -3.009 7.906 23 HG21 VAL 3 HG21 VAL 3 -6.130 -3.280 8.684 24 HG22 VAL 3 HG22 VAL 3 -7.162 -4.585 9.269 25 HG23 VAL 3 HG23 VAL 3 -5.848 -4.936 8.146 26 H GLY 4 H GLY 4 -9.653 -7.058 5.775 27 HA2 GLY 4 HA2 GLY 4 -9.625 -6.090 3.167 28 HA3 GLY 4 HA3 GLY 4 -10.794 -7.243 3.793 29 H SER 5 H SER 5 -12.391 -5.989 5.421 30 HA SER 5 HA SER 5 -13.206 -3.451 4.217 31 HB2 SER 5 HB2 SER 5 -14.409 -5.375 3.080 32 HB3 SER 5 HB3 SER 5 -15.187 -5.696 4.630 33 HG SER 5 HG SER 5 -16.412 -3.991 4.375 34 H ASP 6 H ASP 6 -12.068 -4.362 6.806 35 HA ASP 6 HA ASP 6 -14.258 -3.832 8.667 36 HB2 ASP 6 HB2 ASP 6 -12.516 -5.683 9.005 37 HB3 ASP 6 HB3 ASP 6 -11.391 -4.390 9.409 38 H CYS 7 H CYS 7 -11.664 -2.235 7.121 39 HA CYS 7 HA CYS 7 -12.344 0.256 8.370 40 HB2 CYS 7 HB2 CYS 7 -10.835 -0.610 10.077 41 HB3 CYS 7 HB3 CYS 7 -9.605 -0.931 8.859 42 H GLU 8 H GLU 8 -11.634 2.035 7.200 43 HA GLU 8 HA GLU 8 -10.123 1.430 4.744 44 HB2 GLU 8 HB2 GLU 8 -12.440 1.744 4.139 45 HB3 GLU 8 HB3 GLU 8 -12.524 3.234 5.069 46 HG2 GLU 8 HG2 GLU 8 -10.802 4.189 3.525 47 HG3 GLU 8 HG3 GLU 8 -10.986 2.742 2.534 48 HA PRO 9 HA PRO 9 -7.396 4.621 6.104 49 HB2 PRO 9 HB3 PRO 9 -6.110 5.048 3.752 50 HB3 PRO 9 HB2 PRO 9 -5.821 3.625 4.760 51 HG2 PRO 9 HG2 PRO 9 -7.536 3.903 2.322 52 HG3 PRO 9 HG3 PRO 9 -6.426 2.593 2.766 53 HD2 PRO 9 HD2 PRO 9 -9.106 2.410 3.107 54 HD3 PRO 9 HD3 PRO 9 -7.948 1.617 4.195 55 H LYS 10 H LYS 10 -6.649 6.840 5.310 56 HA LYS 10 HA LYS 10 -8.103 8.339 3.453 57 HB2 LYS 10 HB2 LYS 10 -10.049 8.078 4.807 58 HB3 LYS 10 HB3 LYS 10 -9.156 8.438 6.278 59 HG2 LYS 10 HG2 LYS 10 -9.001 10.724 5.753 60 HG3 LYS 10 HG3 LYS 10 -9.486 10.452 4.078 61 HD2 LYS 10 HD2 LYS 10 -11.708 9.675 4.945 62 HD3 LYS 10 HD3 LYS 10 -11.198 10.211 6.548 63 HE2 LYS 10 HE2 LYS 10 -10.676 12.446 5.223 64 HE3 LYS 10 HE3 LYS 10 -11.909 11.803 4.140 65 HZ1 LYS 10 HZ1 LYS 10 -12.307 13.172 6.509 66 HZ2 LYS 10 HZ2 LYS 10 -12.752 11.571 6.830 67 HZ3 LYS 10 HZ3 LYS 10 -13.480 12.412 5.556 68 H LEU 11 H LEU 11 -6.342 8.270 6.484 69 HA LEU 11 HA LEU 11 -4.584 10.353 5.542 70 HB2 LEU 11 HB2 LEU 11 -6.749 11.167 7.011 71 HB3 LEU 11 HB3 LEU 11 -5.505 10.979 8.245 72 HG LEU 11 HG LEU 11 -5.524 13.260 7.545 73 HD11 LEU 11 HD11 LEU 11 -3.184 12.223 6.020 74 HD12 LEU 11 HD12 LEU 11 -3.307 11.878 7.745 75 HD13 LEU 11 HD13 LEU 11 -3.279 13.548 7.180 76 HD21 LEU 11 HD21 LEU 11 -6.619 12.725 5.318 77 HD22 LEU 11 HD22 LEU 11 -4.994 12.402 4.714 78 HD23 LEU 11 HD23 LEU 11 -5.407 14.007 5.316 79 H CYS 12 H CYS 12 -2.583 9.822 6.106 80 HA CYS 12 HA CYS 12 -1.965 8.757 8.708 81 HB2 CYS 12 HB2 CYS 12 -1.155 6.631 8.076 82 HB3 CYS 12 HB3 CYS 12 -2.722 6.772 7.286 83 H THR 13 H THR 13 0.403 8.396 8.962 84 HA THR 13 HA THR 13 1.952 10.075 7.098 85 HB THR 13 HB THR 13 3.266 10.266 9.542 86 HG1 THR 13 HG1 THR 13 1.787 10.479 11.075 87 HG21 THR 13 HG21 THR 13 1.344 12.197 8.239 88 HG22 THR 13 HG22 THR 13 3.066 12.045 7.893 89 HG23 THR 13 HG23 THR 13 2.531 12.618 9.473 90 H MET 14 H MET 14 3.646 9.082 6.228 91 HA MET 14 HA MET 14 4.317 6.438 6.622 92 HB2 MET 14 HB2 MET 14 6.559 7.105 5.580 93 HB3 MET 14 HB3 MET 14 5.105 7.440 4.648 94 HG2 MET 14 HG2 MET 14 5.289 9.702 4.906 95 HG3 MET 14 HG3 MET 14 6.166 9.567 6.429 96 HE1 MET 14 HE1 MET 14 6.597 10.653 2.813 97 HE2 MET 14 HE2 MET 14 7.856 9.585 2.192 98 HE3 MET 14 HE3 MET 14 6.283 8.925 2.641 99 H ASP 15 H ASP 15 5.906 5.344 7.766 100 HA ASP 15 HA ASP 15 7.849 6.558 9.400 101 HB2 ASP 15 HB2 ASP 15 5.176 6.224 10.577 102 HB3 ASP 15 HB3 ASP 15 6.478 5.528 11.537 103 H LEU 16 H LEU 16 8.698 4.908 11.082 104 HA LEU 16 HA LEU 16 8.505 2.216 9.899 105 HB2 LEU 16 HB2 LEU 16 10.842 3.758 10.955 106 HB3 LEU 16 HB3 LEU 16 10.869 1.996 10.944 107 HG LEU 16 HG LEU 16 12.038 2.857 9.014 108 HD11 LEU 16 HD11 LEU 16 10.186 0.899 8.966 109 HD12 LEU 16 HD12 LEU 16 11.212 1.318 7.594 110 HD13 LEU 16 HD13 LEU 16 9.569 1.951 7.692 111 HD21 LEU 16 HD21 LEU 16 10.412 4.962 9.055 112 HD22 LEU 16 HD22 LEU 16 9.584 4.013 7.820 113 HD23 LEU 16 HD23 LEU 16 11.275 4.463 7.599 114 H VAL 17 H VAL 17 6.674 2.752 11.774 115 HA VAL 17 HA VAL 17 7.734 1.598 14.268 116 HB VAL 17 HB VAL 17 5.182 3.160 13.845 117 HG11 VAL 17 HG11 VAL 17 5.935 1.346 15.898 118 HG12 VAL 17 HG12 VAL 17 5.930 2.976 16.574 119 HG13 VAL 17 HG13 VAL 17 4.485 2.343 15.786 120 HG21 VAL 17 HG21 VAL 17 7.913 3.902 14.762 121 HG22 VAL 17 HG22 VAL 17 6.760 4.813 13.786 122 HG23 VAL 17 HG23 VAL 17 6.530 4.682 15.530 123 HA PRO 18 HA PRO 18 5.306 -1.824 12.369 124 HB2 PRO 18 HB3 PRO 18 6.947 -3.781 13.289 125 HB3 PRO 18 HB2 PRO 18 7.252 -2.898 11.789 126 HG2 PRO 18 HG2 PRO 18 8.443 -2.487 14.504 127 HG3 PRO 18 HG3 PRO 18 9.239 -2.474 12.919 128 HD2 PRO 18 HD2 PRO 18 8.575 -0.202 14.234 129 HD3 PRO 18 HD3 PRO 18 8.575 -0.315 12.462 130 H HIS 19 H HIS 19 3.522 -2.238 13.510 131 HA HIS 19 HA HIS 19 3.823 -3.087 16.316 132 HB2 HIS 19 HB2 HIS 19 1.988 -1.115 15.076 133 HB3 HIS 19 HB3 HIS 19 1.290 -2.171 16.300 134 HD1 HIS 19 HD1 HIS 19 2.598 1.036 16.103 135 HD2 HIS 19 HD2 HIS 19 3.335 -2.151 18.665 136 HE1 HIS 19 HE1 HIS 19 3.602 2.055 18.172 137 H CYS 20 H CYS 20 2.093 -4.512 17.100 138 HA CYS 20 HA CYS 20 1.246 -6.353 14.974 139 HB2 CYS 20 HB2 CYS 20 1.583 -6.795 17.947 140 HB3 CYS 20 HB3 CYS 20 1.003 -8.013 16.816 141 H PHE 21 H PHE 21 -0.864 -7.112 14.852 142 HA PHE 21 HA PHE 21 -2.875 -6.280 16.721 143 HB2 PHE 21 HB2 PHE 21 -2.268 -4.437 14.746 144 HB3 PHE 21 HB3 PHE 21 -3.663 -5.288 14.090 145 HD1 PHE 21 HD1 PHE 21 -5.801 -5.287 15.318 146 HD2 PHE 21 HD2 PHE 21 -2.474 -2.957 16.589 147 HE1 PHE 21 HE1 PHE 21 -7.293 -3.934 16.732 148 HE2 PHE 21 HE2 PHE 21 -3.960 -1.601 18.005 149 HZ PHE 21 HZ PHE 21 -6.372 -2.089 18.079 150 H LEU 22 H LEU 22 -5.035 -7.076 16.113 151 HA LEU 22 HA LEU 22 -4.794 -9.544 14.547 152 HB2 LEU 22 HB2 LEU 22 -6.016 -8.895 17.023 153 HB3 LEU 22 HB3 LEU 22 -7.292 -9.359 15.900 154 HG LEU 22 HG LEU 22 -5.253 -11.290 15.648 155 HD11 LEU 22 HD11 LEU 22 -4.614 -11.938 17.733 156 HD12 LEU 22 HD12 LEU 22 -6.046 -11.261 18.507 157 HD13 LEU 22 HD13 LEU 22 -4.731 -10.199 18.005 158 HD21 LEU 22 HD21 LEU 22 -7.854 -11.515 17.151 159 HD22 LEU 22 HD22 LEU 22 -6.966 -12.800 16.331 160 HD23 LEU 22 HD23 LEU 22 -7.733 -11.520 15.391 161 H ASN 23 H ASN 23 -5.907 -9.863 12.715 162 HA ASN 23 HA ASN 23 -7.764 -7.741 11.873 163 HB2 ASN 23 HB2 ASN 23 -6.192 -9.678 10.159 164 HB3 ASN 23 HB3 ASN 23 -7.236 -8.389 9.568 165 HD21 ASN 23 HD22 ASN 23 -4.121 -9.238 10.356 166 HD22 ASN 23 HD21 ASN 23 -3.421 -7.660 10.429 167 HA PRO 24 HA PRO 24 -11.094 -10.619 11.956 168 HB2 PRO 24 HB3 PRO 24 -12.761 -9.394 10.197 169 HB3 PRO 24 HB2 PRO 24 -12.479 -8.789 11.834 170 HG2 PRO 24 HG2 PRO 24 -11.275 -7.886 9.246 171 HG3 PRO 24 HG3 PRO 24 -11.880 -6.912 10.598 172 HD2 PRO 24 HD2 PRO 24 -9.244 -7.400 10.220 173 HD3 PRO 24 HD3 PRO 24 -9.956 -7.204 11.834 174 H GLU 25 H GLU 25 -9.133 -10.083 9.255 175 HA GLU 25 HA GLU 25 -10.548 -12.052 7.610 176 HB2 GLU 25 HB2 GLU 25 -8.254 -10.189 6.982 177 HB3 GLU 25 HB3 GLU 25 -8.880 -11.385 5.856 178 HG2 GLU 25 HG2 GLU 25 -10.303 -8.983 6.962 179 HG3 GLU 25 HG3 GLU 25 -9.838 -9.292 5.290 180 H LYS 26 H LYS 26 -7.496 -11.490 9.264 181 HA LYS 26 HA LYS 26 -6.834 -14.330 8.858 182 HB2 LYS 26 HB2 LYS 26 -4.603 -12.413 9.245 183 HB3 LYS 26 HB3 LYS 26 -4.668 -13.885 8.285 184 HG2 LYS 26 HG2 LYS 26 -5.927 -11.253 7.538 185 HG3 LYS 26 HG3 LYS 26 -4.412 -11.892 6.896 186 HD2 LYS 26 HD2 LYS 26 -6.575 -13.808 6.669 187 HD3 LYS 26 HD3 LYS 26 -6.957 -12.288 5.856 188 HE2 LYS 26 HE2 LYS 26 -5.814 -13.977 4.414 189 HE3 LYS 26 HE3 LYS 26 -4.983 -12.426 4.520 190 HZ1 LYS 26 HZ1 LYS 26 -4.273 -14.769 6.193 191 HZ2 LYS 26 HZ2 LYS 26 -3.399 -13.332 6.007 192 HZ3 LYS 26 HZ3 LYS 26 -3.523 -14.419 4.717 193 H GLY 27 H GLY 27 -5.507 -11.628 10.774 194 HA2 GLY 27 HA2 GLY 27 -6.378 -11.938 13.240 195 HA3 GLY 27 HA3 GLY 27 -5.415 -13.401 13.100 196 H ILE 28 H ILE 28 -3.708 -13.046 14.384 197 HA ILE 28 HA ILE 28 -2.517 -10.594 14.948 198 HB ILE 28 HB ILE 28 -2.053 -12.455 16.371 199 HG12 ILE 28 HG12 ILE 28 -0.159 -10.707 15.582 200 HG13 ILE 28 HG13 ILE 28 0.115 -11.928 16.821 201 HG21 ILE 28 HG21 ILE 28 -0.850 -13.753 13.934 202 HG22 ILE 28 HG22 ILE 28 -0.663 -14.369 15.575 203 HG23 ILE 28 HG23 ILE 28 -2.265 -14.282 14.843 204 HD11 ILE 28 HD11 ILE 28 1.311 -13.299 15.367 205 HD12 ILE 28 HD12 ILE 28 0.696 -12.473 13.936 206 HD13 ILE 28 HD13 ILE 28 1.863 -11.669 14.986 207 H VAL 29 H VAL 29 -1.279 -9.271 13.802 208 HA VAL 29 HA VAL 29 0.580 -10.306 11.827 209 HB VAL 29 HB VAL 29 -1.617 -8.383 11.049 210 HG11 VAL 29 HG11 VAL 29 0.972 -9.109 9.766 211 HG12 VAL 29 HG12 VAL 29 -0.431 -8.800 8.741 212 HG13 VAL 29 HG13 VAL 29 0.148 -7.552 9.844 213 HG21 VAL 29 HG21 VAL 29 -2.191 -10.130 9.398 214 HG22 VAL 29 HG22 VAL 29 -0.972 -11.180 10.121 215 HG23 VAL 29 HG23 VAL 29 -2.377 -10.680 11.063 216 H VAL 30 H VAL 30 2.298 -8.947 11.432 217 HA VAL 30 HA VAL 30 2.344 -6.456 13.009 218 HB VAL 30 HB VAL 30 3.889 -8.124 13.898 219 HG11 VAL 30 HG11 VAL 30 4.241 -8.886 11.286 220 HG12 VAL 30 HG12 VAL 30 5.762 -8.073 11.662 221 HG13 VAL 30 HG13 VAL 30 5.215 -9.426 12.654 222 HG21 VAL 30 HG21 VAL 30 4.610 -5.509 12.976 223 HG22 VAL 30 HG22 VAL 30 5.113 -6.352 14.441 224 HG23 VAL 30 HG23 VAL 30 6.025 -6.561 12.946 225 H VAL 31 H VAL 31 2.642 -4.616 11.937 226 HA VAL 31 HA VAL 31 4.135 -4.577 9.441 227 HB VAL 31 HB VAL 31 2.324 -3.249 8.308 228 HG11 VAL 31 HG11 VAL 31 1.364 -5.129 7.361 229 HG12 VAL 31 HG12 VAL 31 2.844 -5.782 8.065 230 HG13 VAL 31 HG13 VAL 31 1.302 -5.998 8.894 231 HG21 VAL 31 HG21 VAL 31 0.586 -4.410 10.484 232 HG22 VAL 31 HG22 VAL 31 1.050 -2.714 10.352 233 HG23 VAL 31 HG23 VAL 31 0.047 -3.453 9.105 234 H HIS 32 H HIS 32 4.919 -2.530 8.876 235 HA HIS 32 HA HIS 32 4.713 -0.531 11.027 236 HB2 HIS 32 HB2 HIS 32 6.888 0.337 9.969 237 HB3 HIS 32 HB3 HIS 32 6.970 -1.176 10.868 238 HD1 HIS 32 HD1 HIS 32 7.612 -3.273 9.583 239 HD2 HIS 32 HD2 HIS 32 7.135 0.060 7.150 240 HE1 HIS 32 HE1 HIS 32 8.514 -3.948 7.335 241 H GLY 33 H GLY 33 4.525 1.683 10.494 242 HA2 GLY 33 HA2 GLY 33 4.476 3.327 8.611 243 HA3 GLY 33 HA3 GLY 33 3.475 2.152 7.771 244 H GLY 34 H GLY 34 3.204 5.021 9.033 245 HA2 GLY 34 HA2 GLY 34 1.287 5.030 11.020 246 HA3 GLY 34 HA3 GLY 34 1.415 6.260 9.771 247 H CYS 35 H CYS 35 0.878 4.370 7.603 248 HA CYS 35 HA CYS 35 -1.960 4.586 7.588 249 HB2 CYS 35 HB2 CYS 35 0.145 3.853 5.710 250 HB3 CYS 35 HB3 CYS 35 -1.292 2.853 5.523 251 H ALA 36 H ALA 36 0.303 1.910 8.019 252 HA ALA 36 HA ALA 36 -1.653 -0.144 8.052 253 HB1 ALA 36 HB1 ALA 36 0.112 -1.500 8.158 254 HB2 ALA 36 HB2 ALA 36 1.105 -0.047 8.043 255 HB3 ALA 36 HB3 ALA 36 0.718 -0.728 9.623 256 H LEU 37 H LEU 37 -0.178 1.848 10.561 257 HA LEU 37 HA LEU 37 -1.444 0.437 12.718 258 HB2 LEU 37 HB2 LEU 37 0.733 1.772 12.793 259 HB3 LEU 37 HB3 LEU 37 -0.288 3.206 12.855 260 HG LEU 37 HG LEU 37 -1.258 2.433 14.959 261 HD11 LEU 37 HD11 LEU 37 -1.258 0.144 15.006 262 HD12 LEU 37 HD12 LEU 37 0.129 0.486 16.040 263 HD13 LEU 37 HD13 LEU 37 0.378 0.019 14.358 264 HD21 LEU 37 HD21 LEU 37 1.658 2.853 14.632 265 HD22 LEU 37 HD22 LEU 37 1.085 2.322 16.213 266 HD23 LEU 37 HD23 LEU 37 0.462 3.813 15.505 267 H SER 38 H SER 38 -1.961 3.545 11.083 268 HA SER 38 HA SER 38 -4.022 4.557 12.609 269 HB2 SER 38 HB2 SER 38 -3.212 5.999 10.953 270 HB3 SER 38 HB3 SER 38 -3.369 4.785 9.684 271 HG SER 38 HG SER 38 -5.000 6.512 9.731 272 H LYS 39 H LYS 39 -4.311 2.456 9.748 273 HA LYS 39 HA LYS 39 -7.126 2.181 9.929 274 HB2 LYS 39 HB2 LYS 39 -5.106 0.376 8.585 275 HB3 LYS 39 HB3 LYS 39 -6.844 0.346 8.314 276 HG2 LYS 39 HG2 LYS 39 -6.768 2.580 7.382 277 HG3 LYS 39 HG3 LYS 39 -5.039 2.683 7.721 278 HD2 LYS 39 HD2 LYS 39 -5.570 0.297 6.236 279 HD3 LYS 39 HD3 LYS 39 -6.304 1.673 5.409 280 HE2 LYS 39 HE2 LYS 39 -4.010 2.816 5.854 281 HE3 LYS 39 HE3 LYS 39 -3.431 1.165 6.066 282 HZ1 LYS 39 HZ1 LYS 39 -3.114 1.367 3.851 283 HZ2 LYS 39 HZ2 LYS 39 -4.336 2.521 3.649 284 HZ3 LYS 39 HZ3 LYS 39 -4.735 0.884 3.795 285 H TYR 40 H TYR 40 -4.454 0.037 10.887 286 HA TYR 40 HA TYR 40 -5.947 -2.084 11.865 287 HB2 TYR 40 HB2 TYR 40 -3.227 -1.005 12.490 288 HB3 TYR 40 HB3 TYR 40 -3.888 -2.288 13.497 289 HD1 TYR 40 HD1 TYR 40 -4.662 -2.046 9.918 290 HD2 TYR 40 HD2 TYR 40 -2.203 -3.896 12.856 291 HE1 TYR 40 HE1 TYR 40 -3.943 -3.713 8.258 292 HE2 TYR 40 HE2 TYR 40 -1.477 -5.567 11.204 293 HH TYR 40 HH TYR 40 -1.401 -5.431 8.359 294 H LYS 41 H LYS 41 -5.330 1.040 13.260 295 HA LYS 41 HA LYS 41 -6.287 0.281 15.886 296 HB2 LYS 41 HB2 LYS 41 -5.140 2.727 14.647 297 HB3 LYS 41 HB3 LYS 41 -6.198 2.953 16.034 298 HG2 LYS 41 HG2 LYS 41 -4.754 1.315 17.273 299 HG3 LYS 41 HG3 LYS 41 -3.632 1.391 15.912 300 HD2 LYS 41 HD2 LYS 41 -2.752 2.978 17.342 301 HD3 LYS 41 HD3 LYS 41 -3.774 3.965 16.294 302 HE2 LYS 41 HE2 LYS 41 -5.227 2.905 18.573 303 HE3 LYS 41 HE3 LYS 41 -3.840 3.878 19.061 304 HZ1 LYS 41 HZ1 LYS 41 -6.203 4.921 18.504 305 HZ2 LYS 41 HZ2 LYS 41 -5.524 4.976 16.955 306 HZ3 LYS 41 HZ3 LYS 41 -4.755 5.756 18.243 307 H CYS 42 H CYS 42 -7.554 1.614 12.958 308 HA CYS 42 HA CYS 42 -9.934 2.702 14.167 309 HB2 CYS 42 HB2 CYS 42 -9.810 3.867 12.254 310 HB3 CYS 42 HB3 CYS 42 -8.689 2.710 11.543 311 H GLN 43 H GLN 43 -9.104 -0.160 12.249 312 HA GLN 43 HA GLN 43 -11.648 -1.232 11.941 313 HB2 GLN 43 HB2 GLN 43 -10.381 -3.473 11.914 314 HB3 GLN 43 HB3 GLN 43 -9.961 -2.271 10.701 315 HG2 GLN 43 HG2 GLN 43 -7.857 -2.254 11.371 316 HG3 GLN 43 HG3 GLN 43 -8.341 -1.894 13.027 317 HE21 GLN 43 HE22 GLN 43 -8.968 -4.743 11.033 318 HE22 GLN 43 HE21 GLN 43 -8.186 -5.870 12.083 319 H ASN 44 H ASN 44 -9.352 -1.605 14.612 320 HA ASN 44 HA ASN 44 -11.546 -2.280 16.387 321 HB2 ASN 44 HB2 ASN 44 -9.193 -4.143 15.995 322 HB3 ASN 44 HB3 ASN 44 -10.408 -4.299 17.260 323 HD21 ASN 44 HD22 ASN 44 -9.501 -5.373 14.301 324 HD22 ASN 44 HD21 ASN 44 -11.021 -5.959 13.724 325 HA PRO 45 HA PRO 45 -8.350 0.472 18.268 326 HB2 PRO 45 HB3 PRO 45 -10.155 2.134 19.430 327 HB3 PRO 45 HB2 PRO 45 -9.606 2.328 17.761 328 HG2 PRO 45 HG2 PRO 45 -12.119 1.071 18.796 329 HG3 PRO 45 HG3 PRO 45 -11.900 2.166 17.418 330 HD2 PRO 45 HD2 PRO 45 -12.160 -0.513 17.123 331 HD3 PRO 45 HD3 PRO 45 -11.172 0.477 16.029 332 H ASN 46 H ASN 46 -10.989 -1.418 19.420 333 HA ASN 46 HA ASN 46 -10.231 -1.075 22.217 334 HB2 ASN 46 HB2 ASN 46 -12.228 -2.223 22.777 335 HB3 ASN 46 HB3 ASN 46 -12.652 -1.175 21.427 336 HD21 ASN 46 HD22 ASN 46 -12.667 -4.313 22.624 337 HD22 ASN 46 HD21 ASN 46 -13.153 -5.132 21.183 338 H HIS 47 H HIS 47 -9.646 -3.167 19.585 339 HA HIS 47 HA HIS 47 -9.268 -5.636 20.794 340 HB2 HIS 47 HB2 HIS 47 -8.693 -4.460 18.285 341 HB3 HIS 47 HB3 HIS 47 -7.199 -5.200 18.851 342 HD1 HIS 47 HD1 HIS 47 -9.051 -6.214 16.449 343 HD2 HIS 47 HD2 HIS 47 -8.847 -7.815 20.278 344 HE1 HIS 47 HE1 HIS 47 -9.836 -8.593 16.226 345 H GLU 48 H GLU 48 -7.122 -6.718 21.171 346 HA GLU 48 HA GLU 48 -5.589 -5.081 23.020 347 HB2 GLU 48 HB2 GLU 48 -6.444 -7.518 23.393 348 HB3 GLU 48 HB3 GLU 48 -5.026 -7.972 22.459 349 HG2 GLU 48 HG2 GLU 48 -3.597 -6.814 24.071 350 HG3 GLU 48 HG3 GLU 48 -5.022 -6.377 25.011 351 H LYS 49 H LYS 49 -4.101 -3.838 22.054 352 HA LYS 49 HA LYS 49 -2.769 -4.426 19.653 353 HB2 LYS 49 HB2 LYS 49 -2.974 -2.153 20.585 354 HB3 LYS 49 HB3 LYS 49 -1.890 -2.597 21.897 355 HG2 LYS 49 HG2 LYS 49 -0.158 -3.101 20.132 356 HG3 LYS 49 HG3 LYS 49 -1.244 -2.326 18.976 357 HD2 LYS 49 HD2 LYS 49 -0.902 -0.691 21.329 358 HD3 LYS 49 HD3 LYS 49 0.658 -1.086 20.603 359 HE2 LYS 49 HE2 LYS 49 0.203 0.702 19.307 360 HE3 LYS 49 HE3 LYS 49 -0.751 -0.465 18.393 361 HZ1 LYS 49 HZ1 LYS 49 -1.825 1.267 20.553 362 HZ2 LYS 49 HZ2 LYS 49 -2.715 0.224 19.561 363 HZ3 LYS 49 HZ3 LYS 49 -1.970 1.591 18.899 364 H LEU 50 H LEU 50 -1.577 -6.217 19.422 365 HA LEU 50 HA LEU 50 -0.126 -7.466 21.504 366 HB2 LEU 50 HB2 LEU 50 -0.298 -7.774 18.548 367 HB3 LEU 50 HB3 LEU 50 1.038 -8.548 19.399 368 HG LEU 50 HG LEU 50 -1.000 -9.447 20.887 369 HD11 LEU 50 HD11 LEU 50 -2.144 -8.855 18.175 370 HD12 LEU 50 HD12 LEU 50 -2.805 -8.457 19.761 371 HD13 LEU 50 HD13 LEU 50 -2.783 -10.132 19.210 372 HD21 LEU 50 HD21 LEU 50 -0.110 -11.345 20.164 373 HD22 LEU 50 HD22 LEU 50 0.722 -10.456 18.888 374 HD23 LEU 50 HD23 LEU 50 -0.879 -11.132 18.590 375 H GLY 51 H GLY 51 2.102 -7.582 21.881 376 HA2 GLY 51 HA2 GLY 51 3.958 -5.998 20.361 377 HA3 GLY 51 HA3 GLY 51 3.560 -5.276 21.914 378 H TYR 52 H TYR 52 5.673 -7.282 20.340 379 HA TYR 52 HA TYR 52 7.271 -8.773 20.987 380 HB2 TYR 52 HB2 TYR 52 7.843 -6.684 22.316 381 HB3 TYR 52 HB3 TYR 52 7.065 -7.454 23.694 382 HD1 TYR 52 HD2 TYR 52 9.665 -8.210 21.114 383 HD2 TYR 52 HD1 TYR 52 8.399 -8.644 25.153 384 HE1 TYR 52 HE2 TYR 52 11.766 -9.373 21.642 385 HE2 TYR 52 HE1 TYR 52 10.497 -9.807 25.692 386 HH TYR 52 HH TYR 52 12.290 -11.260 23.973 387 H THR 53 H THR 53 4.485 -9.571 21.335 388 HA THR 53 HA THR 53 4.493 -11.207 23.744 389 HB THR 53 HB THR 53 2.340 -11.389 21.674 390 HG1 THR 53 HG1 THR 53 2.917 -9.174 23.332 391 HG21 THR 53 HG21 THR 53 1.602 -12.697 23.348 392 HG22 THR 53 HG22 THR 53 1.187 -11.179 24.143 393 HG23 THR 53 HG23 THR 53 2.709 -11.985 24.521 394 H HIS 54 H HIS 54 4.041 -13.510 23.642 395 HA HIS 54 HA HIS 54 5.813 -14.918 22.022 396 HB2 HIS 54 HB2 HIS 54 3.523 -15.683 23.777 397 HB3 HIS 54 HB3 HIS 54 4.193 -16.905 22.700 398 HD1 HIS 54 HD1 HIS 54 7.158 -16.420 22.931 399 HD2 HIS 54 HD2 HIS 54 4.587 -16.272 26.192 400 HE1 HIS 54 HE1 HIS 54 8.603 -16.837 24.947 401 H GLU 55 H GLU 55 2.634 -13.788 21.362 402 HA GLU 55 HA GLU 55 2.082 -15.645 19.236 403 HB2 GLU 55 HB2 GLU 55 0.754 -13.145 20.243 404 HB3 GLU 55 HB3 GLU 55 0.247 -13.888 18.733 405 HG2 GLU 55 HG2 GLU 55 0.288 -16.009 20.475 406 HG3 GLU 55 HG3 GLU 55 -0.287 -14.679 21.478 407 H CYS 56 H CYS 56 3.535 -12.490 19.550 408 HA CYS 56 HA CYS 56 3.740 -12.264 16.627 409 HB2 CYS 56 HB2 CYS 56 3.106 -10.373 18.585 410 HB3 CYS 56 HB3 CYS 56 4.757 -9.986 18.110 411 H GLU 57 H GLU 57 5.355 -14.103 18.187 412 HA GLU 57 HA GLU 57 7.896 -13.243 18.815 413 HB2 GLU 57 HB2 GLU 57 6.614 -15.732 18.379 414 HB3 GLU 57 HB3 GLU 57 8.102 -15.749 17.444 415 HG2 GLU 57 HG2 GLU 57 9.439 -15.541 19.316 416 HG3 GLU 57 HG3 GLU 57 8.137 -14.871 20.297 417 H GLU 58 H GLU 58 6.457 -13.725 15.674 418 HA GLU 58 HA GLU 58 8.882 -13.686 14.184 419 HB2 GLU 58 HB2 GLU 58 6.018 -13.155 13.387 420 HB3 GLU 58 HB3 GLU 58 7.353 -13.197 12.244 421 HG2 GLU 58 HG2 GLU 58 7.807 -15.544 13.217 422 HG3 GLU 58 HG3 GLU 58 6.158 -15.430 13.829 423 H ALA 59 H ALA 59 6.585 -11.227 15.219 424 HA ALA 59 HA ALA 59 7.470 -9.077 13.689 425 HB1 ALA 59 HB1 ALA 59 5.466 -8.803 14.892 426 HB2 ALA 59 HB2 ALA 59 6.238 -9.201 16.428 427 HB3 ALA 59 HB3 ALA 59 6.610 -7.677 15.623 428 H ILE 60 H ILE 60 8.906 -10.609 16.454 429 HA ILE 60 HA ILE 60 10.538 -8.631 17.474 430 HB ILE 60 HB ILE 60 11.272 -11.538 17.103 431 HG12 ILE 60 HG12 ILE 60 9.958 -10.139 19.443 432 HG13 ILE 60 HG13 ILE 60 9.134 -11.195 18.301 433 HG21 ILE 60 HG21 ILE 60 12.770 -9.348 18.103 434 HG22 ILE 60 HG22 ILE 60 12.358 -10.392 19.462 435 HG23 ILE 60 HG23 ILE 60 13.210 -11.055 18.068 436 HD11 ILE 60 HD11 ILE 60 11.416 -12.067 20.051 437 HD12 ILE 60 HD12 ILE 60 9.713 -12.264 20.463 438 HD13 ILE 60 HD13 ILE 60 10.380 -13.085 19.051 439 H LYS 61 H LYS 61 11.174 -10.789 14.727 440 HA LYS 61 HA LYS 61 13.691 -9.479 14.153 441 HB2 LYS 61 HB2 LYS 61 13.740 -11.043 12.201 442 HB3 LYS 61 HB3 LYS 61 13.601 -11.843 13.761 443 HG2 LYS 61 HG2 LYS 61 11.282 -12.275 13.417 444 HG3 LYS 61 HG3 LYS 61 11.256 -11.270 11.966 445 HD2 LYS 61 HD2 LYS 61 11.656 -13.124 10.796 446 HD3 LYS 61 HD3 LYS 61 13.275 -13.126 11.498 447 HE2 LYS 61 HE2 LYS 61 11.913 -14.272 13.505 448 HE3 LYS 61 HE3 LYS 61 10.915 -14.786 12.146 449 HZ1 LYS 61 HZ1 LYS 61 13.269 -15.932 12.999 450 HZ2 LYS 61 HZ2 LYS 61 13.671 -15.130 11.564 451 HZ3 LYS 61 HZ3 LYS 61 12.430 -16.279 11.572 452 H ASN 62 H ASN 62 10.405 -9.507 12.919 453 HA ASN 62 HA ASN 62 10.836 -8.172 10.495 454 HB2 ASN 62 HB2 ASN 62 8.689 -9.306 11.479 455 HB3 ASN 62 HB3 ASN 62 8.354 -7.697 12.110 456 HD21 ASN 62 HD22 ASN 62 7.507 -9.645 9.753 457 HD22 ASN 62 HD21 ASN 62 7.241 -8.526 8.463 458 H ALA 63 H ALA 63 10.353 -6.958 13.768 459 HA ALA 63 HA ALA 63 10.375 -4.196 12.892 460 HB1 ALA 63 HB1 ALA 63 9.996 -5.588 15.498 461 HB2 ALA 63 HB2 ALA 63 10.463 -3.887 15.496 462 HB3 ALA 63 HB3 ALA 63 8.975 -4.394 14.697 463 HA PRO 64 HA PRO 64 14.655 -3.347 13.356 464 HB2 PRO 64 HB3 PRO 64 14.634 -0.871 14.470 465 HB3 PRO 64 HB2 PRO 64 14.184 -1.171 12.787 466 HG2 PRO 64 HG2 PRO 64 12.424 -0.790 15.179 467 HG3 PRO 64 HG3 PRO 64 12.249 -0.126 13.544 468 HD2 PRO 64 HD2 PRO 64 10.841 -2.273 14.404 469 HD3 PRO 64 HD3 PRO 64 11.347 -2.077 12.713 470 H ARG 65 H ARG 65 16.335 -3.528 14.790 471 HA ARG 65 HA ARG 65 15.600 -3.756 17.635 472 HB2 ARG 65 HB2 ARG 65 17.861 -5.171 16.214 473 HB3 ARG 65 HB3 ARG 65 17.345 -5.417 17.877 474 HG2 ARG 65 HG2 ARG 65 15.105 -6.133 16.910 475 HG3 ARG 65 HG3 ARG 65 15.929 -6.197 15.351 476 HD2 ARG 65 HD2 ARG 65 17.661 -7.589 16.895 477 HD3 ARG 65 HD3 ARG 65 16.133 -7.983 17.683 478 HE ARG 65 HE ARG 65 15.622 -9.307 15.899 479 HH11 ARG 65 HH11 ARG 65 18.072 -7.033 14.927 480 HH12 ARG 65 HH12 ARG 65 18.284 -7.734 13.357 481 HH21 ARG 65 HH22 ARG 65 15.892 -10.238 13.835 482 HH22 ARG 65 HH21 ARG 65 17.043 -9.556 12.737 483 HA PRO 66 HA PRO 66 18.466 -0.189 17.489 484 HB2 PRO 66 HB3 PRO 66 17.370 1.040 19.647 485 HB3 PRO 66 HB2 PRO 66 16.716 1.203 18.014 486 HG2 PRO 66 HG2 PRO 66 15.807 -0.567 20.250 487 HG3 PRO 66 HG3 PRO 66 14.837 0.401 19.125 488 HD2 PRO 66 HD2 PRO 66 15.193 -2.266 18.819 489 HD3 PRO 66 HD3 PRO 66 15.000 -1.164 17.441 Start of MODEL 4 1 H1 VAL 1 H1 VAL 1 -3.211 -6.980 2.421 2 HA VAL 1 HA VAL 1 -1.993 -6.275 5.001 3 HB VAL 1 HB VAL 1 -2.804 -3.884 4.535 4 HG11 VAL 1 HG11 VAL 1 -0.553 -4.426 2.706 5 HG12 VAL 1 HG12 VAL 1 -0.665 -3.318 4.075 6 HG13 VAL 1 HG13 VAL 1 -0.383 -5.038 4.350 7 HG21 VAL 1 HG21 VAL 1 -2.405 -4.579 1.655 8 HG22 VAL 1 HG22 VAL 1 -3.995 -4.758 2.396 9 HG23 VAL 1 HG23 VAL 1 -3.207 -3.181 2.369 10 HA PRO 2 HA PRO 2 -6.033 -6.640 6.678 11 HB2 PRO 2 HB3 PRO 2 -5.981 -4.757 8.633 12 HB3 PRO 2 HB2 PRO 2 -5.087 -6.278 8.740 13 HG2 PRO 2 HG2 PRO 2 -4.111 -3.558 7.960 14 HG3 PRO 2 HG3 PRO 2 -3.344 -4.763 9.011 15 HD2 PRO 2 HD2 PRO 2 -2.609 -4.401 6.430 16 HD3 PRO 2 HD3 PRO 2 -2.535 -5.984 7.231 17 H VAL 3 H VAL 3 -7.896 -6.004 5.810 18 HA VAL 3 HA VAL 3 -8.920 -3.402 5.959 19 HB VAL 3 HB VAL 3 -7.311 -2.793 4.262 20 HG11 VAL 3 HG11 VAL 3 -6.929 -5.052 3.361 21 HG12 VAL 3 HG12 VAL 3 -8.501 -4.983 2.563 22 HG13 VAL 3 HG13 VAL 3 -7.222 -3.864 2.090 23 HG21 VAL 3 HG21 VAL 3 -9.821 -2.084 4.181 24 HG22 VAL 3 HG22 VAL 3 -8.747 -1.680 2.841 25 HG23 VAL 3 HG23 VAL 3 -9.849 -3.051 2.707 26 H GLY 4 H GLY 4 -11.076 -3.298 5.337 27 HA2 GLY 4 HA2 GLY 4 -12.774 -4.356 3.781 28 HA3 GLY 4 HA3 GLY 4 -12.214 -5.877 4.458 29 H SER 5 H SER 5 -13.720 -6.673 5.758 30 HA SER 5 HA SER 5 -15.759 -5.176 6.973 31 HB2 SER 5 HB2 SER 5 -15.031 -7.923 6.762 32 HB3 SER 5 HB3 SER 5 -15.335 -7.573 8.464 33 HG SER 5 HG SER 5 -17.329 -7.912 7.795 34 H ASP 6 H ASP 6 -12.506 -5.658 7.867 35 HA ASP 6 HA ASP 6 -12.868 -5.241 10.693 36 HB2 ASP 6 HB2 ASP 6 -10.331 -4.962 10.625 37 HB3 ASP 6 HB3 ASP 6 -10.967 -6.526 10.120 38 H CYS 7 H CYS 7 -11.447 -3.317 8.049 39 HA CYS 7 HA CYS 7 -12.539 -0.887 9.107 40 HB2 CYS 7 HB2 CYS 7 -10.604 -1.150 10.598 41 HB3 CYS 7 HB3 CYS 7 -9.540 -1.276 9.201 42 H GLU 8 H GLU 8 -12.443 0.822 7.642 43 HA GLU 8 HA GLU 8 -11.496 0.065 4.962 44 HB2 GLU 8 HB2 GLU 8 -13.104 1.821 4.164 45 HB3 GLU 8 HB3 GLU 8 -13.854 0.440 4.953 46 HG2 GLU 8 HG2 GLU 8 -13.242 2.589 6.808 47 HG3 GLU 8 HG3 GLU 8 -14.324 3.091 5.510 48 HA PRO 9 HA PRO 9 -8.452 3.269 5.992 49 HB2 PRO 9 HB3 PRO 9 -6.662 2.459 4.118 50 HB3 PRO 9 HB2 PRO 9 -6.809 1.689 5.702 51 HG2 PRO 9 HG2 PRO 9 -7.926 0.822 3.063 52 HG3 PRO 9 HG3 PRO 9 -7.146 -0.153 4.323 53 HD2 PRO 9 HD2 PRO 9 -9.835 -0.046 4.018 54 HD3 PRO 9 HD3 PRO 9 -9.061 -0.259 5.602 55 H LYS 10 H LYS 10 -9.023 5.220 5.254 56 HA LYS 10 HA LYS 10 -8.943 5.687 2.360 57 HB2 LYS 10 HB2 LYS 10 -11.248 6.039 4.161 58 HB3 LYS 10 HB3 LYS 10 -10.908 7.418 3.123 59 HG2 LYS 10 HG2 LYS 10 -11.961 6.400 1.468 60 HG3 LYS 10 HG3 LYS 10 -10.748 5.118 1.503 61 HD2 LYS 10 HD2 LYS 10 -12.084 3.698 2.676 62 HD3 LYS 10 HD3 LYS 10 -12.889 5.005 3.549 63 HE2 LYS 10 HE2 LYS 10 -14.604 4.894 2.144 64 HE3 LYS 10 HE3 LYS 10 -13.530 5.257 0.794 65 HZ1 LYS 10 HZ1 LYS 10 -13.902 3.215 0.062 66 HZ2 LYS 10 HZ2 LYS 10 -14.802 2.819 1.439 67 HZ3 LYS 10 HZ3 LYS 10 -13.126 2.593 1.431 68 H LEU 11 H LEU 11 -7.493 6.332 5.093 69 HA LEU 11 HA LEU 11 -6.258 8.696 4.231 70 HB2 LEU 11 HB2 LEU 11 -8.734 9.114 5.543 71 HB3 LEU 11 HB3 LEU 11 -7.457 9.632 6.640 72 HG LEU 11 HG LEU 11 -7.392 10.602 3.824 73 HD11 LEU 11 HD11 LEU 11 -8.788 12.574 4.707 74 HD12 LEU 11 HD12 LEU 11 -9.368 11.430 5.917 75 HD13 LEU 11 HD13 LEU 11 -9.628 11.107 4.202 76 HD21 LEU 11 HD21 LEU 11 -6.069 11.142 6.296 77 HD22 LEU 11 HD22 LEU 11 -6.905 12.599 5.757 78 HD23 LEU 11 HD23 LEU 11 -5.743 11.805 4.693 79 H CYS 12 H CYS 12 -4.288 8.183 4.913 80 HA CYS 12 HA CYS 12 -3.719 8.009 7.718 81 HB2 CYS 12 HB2 CYS 12 -2.713 5.778 7.690 82 HB3 CYS 12 HB3 CYS 12 -4.425 5.693 7.290 83 H THR 13 H THR 13 -1.242 7.216 7.883 84 HA THR 13 HA THR 13 0.229 8.657 5.773 85 HB THR 13 HB THR 13 1.565 8.613 8.370 86 HG1 THR 13 HG1 THR 13 0.156 10.068 9.373 87 HG21 THR 13 HG21 THR 13 0.938 10.596 6.217 88 HG22 THR 13 HG22 THR 13 2.506 10.046 6.809 89 HG23 THR 13 HG23 THR 13 1.534 11.152 7.781 90 H MET 14 H MET 14 2.170 7.806 5.094 91 HA MET 14 HA MET 14 2.569 4.998 5.653 92 HB2 MET 14 HB2 MET 14 4.297 6.735 3.900 93 HB3 MET 14 HB3 MET 14 4.072 4.993 3.816 94 HG2 MET 14 HG2 MET 14 1.760 5.328 3.099 95 HG3 MET 14 HG3 MET 14 1.993 7.073 3.176 96 HE1 MET 14 HE1 MET 14 3.774 8.308 1.930 97 HE2 MET 14 HE2 MET 14 5.153 7.220 1.767 98 HE3 MET 14 HE3 MET 14 4.373 7.876 0.328 99 H ASP 15 H ASP 15 4.641 4.099 6.250 100 HA ASP 15 HA ASP 15 6.798 5.622 7.207 101 HB2 ASP 15 HB2 ASP 15 4.818 6.026 8.916 102 HB3 ASP 15 HB3 ASP 15 5.336 4.462 9.540 103 H LEU 16 H LEU 16 8.136 4.190 8.857 104 HA LEU 16 HA LEU 16 8.043 1.436 7.817 105 HB2 LEU 16 HB2 LEU 16 10.034 3.086 7.367 106 HB3 LEU 16 HB3 LEU 16 10.511 2.622 8.999 107 HG LEU 16 HG LEU 16 10.123 0.188 7.858 108 HD11 LEU 16 HD11 LEU 16 11.527 0.524 5.672 109 HD12 LEU 16 HD12 LEU 16 10.800 2.130 5.703 110 HD13 LEU 16 HD13 LEU 16 9.772 0.699 5.651 111 HD21 LEU 16 HD21 LEU 16 12.071 0.378 9.020 112 HD22 LEU 16 HD22 LEU 16 12.470 1.945 8.315 113 HD23 LEU 16 HD23 LEU 16 12.719 0.470 7.381 114 H VAL 17 H VAL 17 6.418 1.883 9.911 115 HA VAL 17 HA VAL 17 7.894 0.903 12.263 116 HB VAL 17 HB VAL 17 5.133 2.122 12.237 117 HG11 VAL 17 HG11 VAL 17 5.407 2.277 14.632 118 HG12 VAL 17 HG12 VAL 17 5.657 0.607 14.118 119 HG13 VAL 17 HG13 VAL 17 7.041 1.624 14.518 120 HG21 VAL 17 HG21 VAL 17 7.814 3.389 12.766 121 HG22 VAL 17 HG22 VAL 17 6.633 3.836 11.535 122 HG23 VAL 17 HG23 VAL 17 6.279 4.115 13.241 123 HA PRO 18 HA PRO 18 5.545 -2.769 10.775 124 HB2 PRO 18 HB3 PRO 18 7.460 -4.551 11.500 125 HB3 PRO 18 HB2 PRO 18 7.483 -3.692 9.956 126 HG2 PRO 18 HG2 PRO 18 8.986 -3.099 12.476 127 HG3 PRO 18 HG3 PRO 18 9.559 -3.068 10.798 128 HD2 PRO 18 HD2 PRO 18 8.879 -0.820 12.147 129 HD3 PRO 18 HD3 PRO 18 8.652 -0.987 10.394 130 H HIS 19 H HIS 19 3.960 -3.208 12.182 131 HA HIS 19 HA HIS 19 4.698 -4.267 14.814 132 HB2 HIS 19 HB2 HIS 19 3.113 -1.846 14.259 133 HB3 HIS 19 HB3 HIS 19 2.382 -2.957 15.414 134 HD1 HIS 19 HD1 HIS 19 4.384 -0.094 15.425 135 HD2 HIS 19 HD2 HIS 19 4.620 -3.736 17.410 136 HE1 HIS 19 HE1 HIS 19 5.846 0.326 17.428 137 H CYS 20 H CYS 20 2.825 -5.391 15.870 138 HA CYS 20 HA CYS 20 1.370 -6.911 13.830 139 HB2 CYS 20 HB2 CYS 20 2.672 -8.304 15.282 140 HB3 CYS 20 HB3 CYS 20 2.032 -7.507 16.715 141 H PHE 21 H PHE 21 -0.836 -7.136 13.841 142 HA PHE 21 HA PHE 21 -2.350 -5.690 15.895 143 HB2 PHE 21 HB2 PHE 21 -3.175 -5.464 13.021 144 HB3 PHE 21 HB3 PHE 21 -3.576 -4.415 14.378 145 HD1 PHE 21 HD1 PHE 21 -2.004 -2.729 15.155 146 HD2 PHE 21 HD2 PHE 21 -1.129 -5.193 11.796 147 HE1 PHE 21 HE1 PHE 21 -0.195 -1.193 14.504 148 HE2 PHE 21 HE2 PHE 21 0.681 -3.662 11.140 149 HZ PHE 21 HZ PHE 21 1.151 -1.659 12.495 150 H LEU 22 H LEU 22 -4.620 -6.297 15.991 151 HA LEU 22 HA LEU 22 -4.965 -9.122 15.339 152 HB2 LEU 22 HB2 LEU 22 -5.448 -8.696 17.586 153 HB3 LEU 22 HB3 LEU 22 -6.335 -7.221 17.208 154 HG LEU 22 HG LEU 22 -8.131 -8.628 16.214 155 HD11 LEU 22 HD11 LEU 22 -7.282 -11.049 17.592 156 HD12 LEU 22 HD12 LEU 22 -6.243 -10.617 16.235 157 HD13 LEU 22 HD13 LEU 22 -7.974 -10.841 15.984 158 HD21 LEU 22 HD21 LEU 22 -8.071 -7.792 18.610 159 HD22 LEU 22 HD22 LEU 22 -7.581 -9.426 19.059 160 HD23 LEU 22 HD23 LEU 22 -9.139 -9.156 18.276 161 H ASN 23 H ASN 23 -6.011 -9.682 13.558 162 HA ASN 23 HA ASN 23 -8.067 -7.856 12.499 163 HB2 ASN 23 HB2 ASN 23 -5.797 -8.651 11.214 164 HB3 ASN 23 HB3 ASN 23 -6.941 -9.871 10.663 165 HD21 ASN 23 HD22 ASN 23 -8.655 -9.275 9.369 166 HD22 ASN 23 HD21 ASN 23 -8.750 -7.729 8.604 167 HA PRO 24 HA PRO 24 -10.614 -11.388 13.703 168 HB2 PRO 24 HB3 PRO 24 -12.956 -10.021 13.550 169 HB3 PRO 24 HB2 PRO 24 -11.875 -9.923 14.946 170 HG2 PRO 24 HG2 PRO 24 -12.178 -8.029 12.648 171 HG3 PRO 24 HG3 PRO 24 -12.008 -7.672 14.376 172 HD2 PRO 24 HD2 PRO 24 -9.938 -7.487 12.640 173 HD3 PRO 24 HD3 PRO 24 -9.721 -7.957 14.339 174 H GLU 25 H GLU 25 -10.319 -9.653 10.818 175 HA GLU 25 HA GLU 25 -12.479 -10.955 9.409 176 HB2 GLU 25 HB2 GLU 25 -11.490 -8.615 8.938 177 HB3 GLU 25 HB3 GLU 25 -10.202 -9.481 8.112 178 HG2 GLU 25 HG2 GLU 25 -11.991 -8.679 6.608 179 HG3 GLU 25 HG3 GLU 25 -11.745 -10.424 6.550 180 H LYS 26 H LYS 26 -8.937 -11.150 9.466 181 HA LYS 26 HA LYS 26 -9.151 -13.787 8.170 182 HB2 LYS 26 HB2 LYS 26 -6.832 -13.297 7.257 183 HB3 LYS 26 HB3 LYS 26 -8.157 -12.391 6.539 184 HG2 LYS 26 HG2 LYS 26 -7.586 -10.504 8.080 185 HG3 LYS 26 HG3 LYS 26 -6.147 -11.412 8.550 186 HD2 LYS 26 HD2 LYS 26 -5.060 -10.781 6.709 187 HD3 LYS 26 HD3 LYS 26 -6.403 -11.271 5.675 188 HE2 LYS 26 HE2 LYS 26 -7.485 -9.056 6.587 189 HE3 LYS 26 HE3 LYS 26 -5.805 -8.616 6.893 190 HZ1 LYS 26 HZ1 LYS 26 -7.099 -8.278 4.548 191 HZ2 LYS 26 HZ2 LYS 26 -6.254 -9.718 4.273 192 HZ3 LYS 26 HZ3 LYS 26 -5.417 -8.320 4.730 193 H GLY 27 H GLY 27 -7.078 -11.747 10.228 194 HA2 GLY 27 HA2 GLY 27 -6.834 -13.208 12.445 195 HA3 GLY 27 HA3 GLY 27 -5.803 -14.113 11.347 196 H ILE 28 H ILE 28 -4.259 -13.491 13.142 197 HA ILE 28 HA ILE 28 -3.366 -10.952 13.683 198 HB ILE 28 HB ILE 28 -2.440 -12.770 14.909 199 HG12 ILE 28 HG12 ILE 28 -0.944 -10.713 14.052 200 HG13 ILE 28 HG13 ILE 28 -0.319 -11.958 15.128 201 HG21 ILE 28 HG21 ILE 28 -1.416 -13.754 12.256 202 HG22 ILE 28 HG22 ILE 28 -0.860 -14.384 13.806 203 HG23 ILE 28 HG23 ILE 28 -2.554 -14.551 13.343 204 HD11 ILE 28 HD11 ILE 28 -0.078 -12.231 12.161 205 HD12 ILE 28 HD12 ILE 28 1.074 -11.271 13.088 206 HD13 ILE 28 HD13 ILE 28 0.879 -12.990 13.432 207 H VAL 29 H VAL 29 -2.292 -9.402 12.627 208 HA VAL 29 HA VAL 29 -0.866 -10.076 10.154 209 HB VAL 29 HB VAL 29 -2.799 -7.764 10.364 210 HG11 VAL 29 HG11 VAL 29 -1.383 -6.981 8.786 211 HG12 VAL 29 HG12 VAL 29 -0.763 -8.585 8.390 212 HG13 VAL 29 HG13 VAL 29 -2.314 -8.053 7.740 213 HG21 VAL 29 HG21 VAL 29 -3.695 -9.389 8.346 214 HG22 VAL 29 HG22 VAL 29 -3.168 -10.548 9.567 215 HG23 VAL 29 HG23 VAL 29 -4.365 -9.318 9.975 216 H VAL 30 H VAL 30 1.086 -9.176 10.082 217 HA VAL 30 HA VAL 30 1.601 -6.812 11.767 218 HB VAL 30 HB VAL 30 2.733 -8.659 12.781 219 HG11 VAL 30 HG11 VAL 30 3.255 -10.436 11.554 220 HG12 VAL 30 HG12 VAL 30 3.080 -9.517 10.058 221 HG13 VAL 30 HG13 VAL 30 4.624 -9.530 10.911 222 HG21 VAL 30 HG21 VAL 30 4.581 -7.464 13.138 223 HG22 VAL 30 HG22 VAL 30 5.136 -7.702 11.481 224 HG23 VAL 30 HG23 VAL 30 4.028 -6.383 11.859 225 H VAL 31 H VAL 31 2.179 -5.071 10.661 226 HA VAL 31 HA VAL 31 3.926 -5.295 8.353 227 HB VAL 31 HB VAL 31 2.437 -3.833 6.963 228 HG11 VAL 31 HG11 VAL 31 2.665 -6.358 6.764 229 HG12 VAL 31 HG12 VAL 31 1.108 -6.455 7.590 230 HG13 VAL 31 HG13 VAL 31 1.234 -5.629 6.036 231 HG21 VAL 31 HG21 VAL 31 0.092 -4.731 8.547 232 HG22 VAL 31 HG22 VAL 31 1.022 -3.363 9.160 233 HG23 VAL 31 HG23 VAL 31 0.302 -3.290 7.551 234 H HIS 32 H HIS 32 4.580 -3.110 7.544 235 HA HIS 32 HA HIS 32 4.803 -1.266 9.821 236 HB2 HIS 32 HB2 HIS 32 6.743 -0.320 8.499 237 HB3 HIS 32 HB3 HIS 32 6.957 -1.967 9.084 238 HD1 HIS 32 HD1 HIS 32 6.255 -0.051 5.913 239 HD2 HIS 32 HD2 HIS 32 7.370 -3.864 7.131 240 HE1 HIS 32 HE1 HIS 32 6.888 -1.272 3.807 241 H GLY 33 H GLY 33 4.533 0.982 9.523 242 HA2 GLY 33 HA2 GLY 33 4.111 2.788 7.859 243 HA3 GLY 33 HA3 GLY 33 2.972 1.678 7.111 244 H GLY 34 H GLY 34 2.820 4.420 8.516 245 HA2 GLY 34 HA2 GLY 34 1.403 4.295 10.880 246 HA3 GLY 34 HA3 GLY 34 1.171 5.538 9.660 247 H CYS 35 H CYS 35 0.245 3.704 7.615 248 HA CYS 35 HA CYS 35 -2.487 3.843 7.989 249 HB2 CYS 35 HB2 CYS 35 -0.812 3.022 5.953 250 HB3 CYS 35 HB3 CYS 35 -1.687 1.549 6.359 251 H ALA 36 H ALA 36 -0.352 1.052 8.525 252 HA ALA 36 HA ALA 36 -2.333 -0.758 9.336 253 HB1 ALA 36 HB1 ALA 36 0.239 -1.048 8.801 254 HB2 ALA 36 HB2 ALA 36 0.370 -0.931 10.557 255 HB3 ALA 36 HB3 ALA 36 -0.628 -2.190 9.829 256 H LEU 37 H LEU 37 -0.672 1.784 11.057 257 HA LEU 37 HA LEU 37 -1.492 0.905 13.666 258 HB2 LEU 37 HB2 LEU 37 0.550 2.290 13.146 259 HB3 LEU 37 HB3 LEU 37 -0.539 3.648 12.873 260 HG LEU 37 HG LEU 37 -1.325 2.981 15.336 261 HD11 LEU 37 HD11 LEU 37 0.686 1.203 15.072 262 HD12 LEU 37 HD12 LEU 37 0.163 1.881 16.613 263 HD13 LEU 37 HD13 LEU 37 1.554 2.568 15.774 264 HD21 LEU 37 HD21 LEU 37 0.011 4.789 16.142 265 HD22 LEU 37 HD22 LEU 37 -0.465 5.167 14.486 266 HD23 LEU 37 HD23 LEU 37 1.168 4.594 14.824 267 H SER 38 H SER 38 -2.497 3.477 11.432 268 HA SER 38 HA SER 38 -4.542 4.512 13.088 269 HB2 SER 38 HB2 SER 38 -3.539 5.754 11.185 270 HB3 SER 38 HB3 SER 38 -4.335 4.644 10.070 271 HG SER 38 HG SER 38 -6.313 5.404 10.748 272 H LYS 39 H LYS 39 -4.451 1.947 10.701 273 HA LYS 39 HA LYS 39 -7.284 1.595 10.557 274 HB2 LYS 39 HB2 LYS 39 -5.856 0.882 8.720 275 HB3 LYS 39 HB3 LYS 39 -5.010 -0.239 9.778 276 HG2 LYS 39 HG2 LYS 39 -7.680 -0.951 10.018 277 HG3 LYS 39 HG3 LYS 39 -7.469 -0.586 8.304 278 HD2 LYS 39 HD2 LYS 39 -7.000 -2.915 8.653 279 HD3 LYS 39 HD3 LYS 39 -5.483 -2.087 8.292 280 HE2 LYS 39 HE2 LYS 39 -6.141 -2.200 11.143 281 HE3 LYS 39 HE3 LYS 39 -5.901 -3.779 10.398 282 HZ1 LYS 39 HZ1 LYS 39 -3.865 -2.142 9.472 283 HZ2 LYS 39 HZ2 LYS 39 -3.734 -3.434 10.557 284 HZ3 LYS 39 HZ3 LYS 39 -3.967 -1.862 11.137 285 H TYR 40 H TYR 40 -4.658 -0.079 12.261 286 HA TYR 40 HA TYR 40 -6.088 -2.139 13.419 287 HB2 TYR 40 HB2 TYR 40 -3.960 -2.490 14.048 288 HB3 TYR 40 HB3 TYR 40 -3.559 -0.780 13.924 289 HD1 TYR 40 HD1 TYR 40 -4.985 -3.357 16.165 290 HD2 TYR 40 HD2 TYR 40 -3.413 0.584 15.856 291 HE1 TYR 40 HE1 TYR 40 -4.893 -3.208 18.618 292 HE2 TYR 40 HE2 TYR 40 -3.315 0.744 18.308 293 HH TYR 40 HH TYR 40 -4.568 -0.386 20.277 294 H LYS 41 H LYS 41 -5.599 1.154 14.655 295 HA LYS 41 HA LYS 41 -7.064 0.804 17.043 296 HB2 LYS 41 HB2 LYS 41 -5.501 2.792 16.004 297 HB3 LYS 41 HB3 LYS 41 -7.104 3.502 15.870 298 HG2 LYS 41 HG2 LYS 41 -7.443 3.488 18.165 299 HG3 LYS 41 HG3 LYS 41 -6.195 2.269 18.439 300 HD2 LYS 41 HD2 LYS 41 -4.636 4.145 17.425 301 HD3 LYS 41 HD3 LYS 41 -5.931 5.202 17.993 302 HE2 LYS 41 HE2 LYS 41 -5.669 4.450 20.234 303 HE3 LYS 41 HE3 LYS 41 -4.599 3.140 19.737 304 HZ1 LYS 41 HZ1 LYS 41 -2.838 4.502 19.649 305 HZ2 LYS 41 HZ2 LYS 41 -3.753 5.500 20.663 306 HZ3 LYS 41 HZ3 LYS 41 -3.714 5.794 18.998 307 H CYS 42 H CYS 42 -8.024 1.341 13.771 308 HA CYS 42 HA CYS 42 -10.673 2.280 14.434 309 HB2 CYS 42 HB2 CYS 42 -10.132 3.155 12.393 310 HB3 CYS 42 HB3 CYS 42 -9.132 1.776 11.948 311 H GLN 43 H GLN 43 -9.335 -0.657 12.921 312 HA GLN 43 HA GLN 43 -11.781 -2.065 12.874 313 HB2 GLN 43 HB2 GLN 43 -10.209 -4.097 12.686 314 HB3 GLN 43 HB3 GLN 43 -10.153 -2.886 11.412 315 HG2 GLN 43 HG2 GLN 43 -8.007 -2.506 11.778 316 HG3 GLN 43 HG3 GLN 43 -8.293 -2.225 13.494 317 HE21 GLN 43 HE22 GLN 43 -8.342 -4.992 11.266 318 HE22 GLN 43 HE21 GLN 43 -7.408 -6.038 12.276 319 H ASN 44 H ASN 44 -9.094 -2.036 15.183 320 HA ASN 44 HA ASN 44 -10.885 -3.291 17.149 321 HB2 ASN 44 HB2 ASN 44 -7.949 -3.920 16.764 322 HB3 ASN 44 HB3 ASN 44 -8.966 -4.553 18.055 323 HD21 ASN 44 HD22 ASN 44 -9.397 -6.597 17.688 324 HD22 ASN 44 HD21 ASN 44 -9.822 -7.293 16.165 325 HA PRO 45 HA PRO 45 -9.165 0.701 18.755 326 HB2 PRO 45 HB3 PRO 45 -11.523 1.561 19.790 327 HB3 PRO 45 HB2 PRO 45 -11.053 1.840 18.109 328 HG2 PRO 45 HG2 PRO 45 -12.865 -0.254 19.247 329 HG3 PRO 45 HG3 PRO 45 -13.071 0.732 17.787 330 HD2 PRO 45 HD2 PRO 45 -12.209 -1.834 17.703 331 HD3 PRO 45 HD3 PRO 45 -11.678 -0.609 16.533 332 H ASN 46 H ASN 46 -10.548 -2.118 20.006 333 HA ASN 46 HA ASN 46 -10.112 -1.262 22.784 334 HB2 ASN 46 HB2 ASN 46 -11.539 -3.730 21.767 335 HB3 ASN 46 HB3 ASN 46 -11.450 -3.192 23.441 336 HD21 ASN 46 HD22 ASN 46 -12.908 -2.707 20.348 337 HD22 ASN 46 HD21 ASN 46 -14.121 -1.589 20.860 338 H HIS 47 H HIS 47 -8.849 -3.210 20.271 339 HA HIS 47 HA HIS 47 -7.398 -5.026 21.971 340 HB2 HIS 47 HB2 HIS 47 -8.191 -5.511 19.596 341 HB3 HIS 47 HB3 HIS 47 -6.863 -4.492 19.050 342 HD1 HIS 47 HD1 HIS 47 -7.386 -7.622 21.141 343 HD2 HIS 47 HD2 HIS 47 -4.518 -5.819 18.736 344 HE1 HIS 47 HE1 HIS 47 -5.518 -9.295 20.954 345 H GLU 48 H GLU 48 -4.982 -5.210 21.742 346 HA GLU 48 HA GLU 48 -3.776 -2.522 21.785 347 HB2 GLU 48 HB2 GLU 48 -3.938 -4.105 23.921 348 HB3 GLU 48 HB3 GLU 48 -2.481 -4.790 23.215 349 HG2 GLU 48 HG2 GLU 48 -1.807 -2.226 23.083 350 HG3 GLU 48 HG3 GLU 48 -2.935 -2.133 24.435 351 H LYS 49 H LYS 49 -2.343 -2.133 20.245 352 HA LYS 49 HA LYS 49 -1.540 -4.034 18.343 353 HB2 LYS 49 HB2 LYS 49 -1.578 -1.681 17.798 354 HB3 LYS 49 HB3 LYS 49 -0.378 -1.332 19.035 355 HG2 LYS 49 HG2 LYS 49 1.202 -2.821 17.742 356 HG3 LYS 49 HG3 LYS 49 0.008 -2.797 16.442 357 HD2 LYS 49 HD2 LYS 49 1.455 -1.069 15.864 358 HD3 LYS 49 HD3 LYS 49 0.134 -0.229 16.680 359 HE2 LYS 49 HE2 LYS 49 2.440 -1.148 18.316 360 HE3 LYS 49 HE3 LYS 49 2.673 0.248 17.265 361 HZ1 LYS 49 HZ1 LYS 49 1.429 0.157 19.768 362 HZ2 LYS 49 HZ2 LYS 49 0.249 0.566 18.625 363 HZ3 LYS 49 HZ3 LYS 49 1.655 1.497 18.760 364 H LEU 50 H LEU 50 0.265 -5.269 18.101 365 HA LEU 50 HA LEU 50 2.125 -6.449 18.662 366 HB2 LEU 50 HB2 LEU 50 3.086 -4.129 18.641 367 HB3 LEU 50 HB3 LEU 50 2.848 -4.088 20.386 368 HG LEU 50 HG LEU 50 4.438 -5.890 20.680 369 HD11 LEU 50 HD11 LEU 50 4.006 -6.234 17.834 370 HD12 LEU 50 HD12 LEU 50 4.656 -7.360 19.025 371 HD13 LEU 50 HD13 LEU 50 5.719 -6.186 18.251 372 HD21 LEU 50 HD21 LEU 50 6.132 -4.446 20.654 373 HD22 LEU 50 HD22 LEU 50 5.036 -3.311 19.866 374 HD23 LEU 50 HD23 LEU 50 6.100 -4.327 18.894 375 H GLY 51 H GLY 51 3.262 -7.519 20.503 376 HA2 GLY 51 HA2 GLY 51 2.648 -7.396 23.157 377 HA3 GLY 51 HA3 GLY 51 1.319 -8.318 22.469 378 H TYR 52 H TYR 52 3.283 -9.215 24.387 379 HA TYR 52 HA TYR 52 5.153 -10.908 23.017 380 HB2 TYR 52 HB2 TYR 52 4.376 -10.458 25.868 381 HB3 TYR 52 HB3 TYR 52 5.267 -11.917 25.452 382 HD1 TYR 52 HD1 TYR 52 5.395 -8.210 25.229 383 HD2 TYR 52 HD2 TYR 52 7.594 -11.851 25.164 384 HE1 TYR 52 HE1 TYR 52 7.497 -6.934 25.293 385 HE2 TYR 52 HE2 TYR 52 9.702 -10.586 25.229 386 HH TYR 52 HH TYR 52 10.619 -8.552 25.574 387 H THR 53 H THR 53 3.071 -11.660 21.747 388 HA THR 53 HA THR 53 2.114 -14.132 23.038 389 HB THR 53 HB THR 53 0.247 -12.623 22.725 390 HG1 THR 53 HG1 THR 53 -0.896 -14.277 22.077 391 HG21 THR 53 HG21 THR 53 -0.046 -12.483 19.927 392 HG22 THR 53 HG22 THR 53 1.608 -11.986 20.281 393 HG23 THR 53 HG23 THR 53 0.255 -11.156 21.048 394 H HIS 54 H HIS 54 1.882 -15.987 21.717 395 HA HIS 54 HA HIS 54 3.956 -16.440 19.904 396 HB2 HIS 54 HB2 HIS 54 1.712 -17.930 20.977 397 HB3 HIS 54 HB3 HIS 54 1.983 -18.320 19.281 398 HD1 HIS 54 HD1 HIS 54 4.170 -17.955 22.384 399 HD2 HIS 54 HD2 HIS 54 3.738 -20.345 19.013 400 HE1 HIS 54 HE1 HIS 54 5.938 -19.732 22.588 401 H GLU 55 H GLU 55 0.859 -15.023 19.444 402 HA GLU 55 HA GLU 55 0.702 -15.528 16.617 403 HB2 GLU 55 HB2 GLU 55 -0.845 -13.726 18.476 404 HB3 GLU 55 HB3 GLU 55 -1.149 -13.790 16.746 405 HG2 GLU 55 HG2 GLU 55 -1.152 -16.449 17.636 406 HG3 GLU 55 HG3 GLU 55 -2.080 -15.528 18.818 407 H CYS 56 H CYS 56 1.988 -13.039 18.686 408 HA CYS 56 HA CYS 56 2.755 -11.488 16.299 409 HB2 CYS 56 HB2 CYS 56 2.302 -10.516 19.128 410 HB3 CYS 56 HB3 CYS 56 2.882 -9.517 17.800 411 H GLU 57 H GLU 57 4.104 -13.782 17.692 412 HA GLU 57 HA GLU 57 6.391 -12.734 19.033 413 HB2 GLU 57 HB2 GLU 57 5.312 -15.324 18.403 414 HB3 GLU 57 HB3 GLU 57 7.020 -15.279 17.989 415 HG2 GLU 57 HG2 GLU 57 7.473 -14.418 20.287 416 HG3 GLU 57 HG3 GLU 57 5.777 -14.711 20.666 417 H GLU 58 H GLU 58 5.915 -14.135 15.792 418 HA GLU 58 HA GLU 58 8.520 -13.753 14.858 419 HB2 GLU 58 HB2 GLU 58 6.269 -14.879 13.836 420 HB3 GLU 58 HB3 GLU 58 6.362 -13.411 12.873 421 HG2 GLU 58 HG2 GLU 58 8.814 -14.094 12.476 422 HG3 GLU 58 HG3 GLU 58 8.296 -15.684 13.033 423 H ALA 59 H ALA 59 5.890 -11.524 15.238 424 HA ALA 59 HA ALA 59 6.631 -9.513 13.449 425 HB1 ALA 59 HB1 ALA 59 4.514 -9.324 14.445 426 HB2 ALA 59 HB2 ALA 59 5.177 -9.432 16.076 427 HB3 ALA 59 HB3 ALA 59 5.451 -7.984 15.108 428 H ILE 60 H ILE 60 8.056 -10.498 16.437 429 HA ILE 60 HA ILE 60 9.373 -8.110 17.145 430 HB ILE 60 HB ILE 60 10.222 -10.958 17.688 431 HG12 ILE 60 HG12 ILE 60 8.705 -9.047 19.473 432 HG13 ILE 60 HG13 ILE 60 7.934 -10.293 18.497 433 HG21 ILE 60 HG21 ILE 60 12.115 -9.675 18.121 434 HG22 ILE 60 HG22 ILE 60 11.173 -8.316 18.730 435 HG23 ILE 60 HG23 ILE 60 11.327 -9.784 19.695 436 HD11 ILE 60 HD11 ILE 60 9.757 -10.623 20.849 437 HD12 ILE 60 HD12 ILE 60 8.108 -11.209 20.635 438 HD13 ILE 60 HD13 ILE 60 9.430 -11.942 19.726 439 H LYS 61 H LYS 61 10.654 -10.997 15.483 440 HA LYS 61 HA LYS 61 13.142 -9.847 14.834 441 HB2 LYS 61 HB2 LYS 61 13.293 -11.718 13.169 442 HB3 LYS 61 HB3 LYS 61 12.928 -12.229 14.811 443 HG2 LYS 61 HG2 LYS 61 10.593 -12.502 14.245 444 HG3 LYS 61 HG3 LYS 61 10.893 -11.892 12.616 445 HD2 LYS 61 HD2 LYS 61 11.176 -14.033 12.036 446 HD3 LYS 61 HD3 LYS 61 12.732 -13.925 12.864 447 HE2 LYS 61 HE2 LYS 61 11.779 -14.789 14.889 448 HE3 LYS 61 HE3 LYS 61 10.154 -14.719 14.209 449 HZ1 LYS 61 HZ1 LYS 61 10.824 -16.385 12.574 450 HZ2 LYS 61 HZ2 LYS 61 11.002 -16.965 14.153 451 HZ3 LYS 61 HZ3 LYS 61 12.361 -16.473 13.275 452 H ASN 62 H ASN 62 10.070 -9.985 13.113 453 HA ASN 62 HA ASN 62 10.960 -9.018 10.633 454 HB2 ASN 62 HB2 ASN 62 8.541 -9.844 11.680 455 HB3 ASN 62 HB3 ASN 62 8.272 -8.131 11.375 456 HD21 ASN 62 HD22 ASN 62 8.195 -11.168 10.057 457 HD22 ASN 62 HD21 ASN 62 8.174 -10.742 8.383 458 H ALA 63 H ALA 63 10.093 -7.386 13.607 459 HA ALA 63 HA ALA 63 10.348 -4.766 12.340 460 HB1 ALA 63 HB1 ALA 63 9.841 -4.106 14.854 461 HB2 ALA 63 HB2 ALA 63 8.562 -4.603 13.745 462 HB3 ALA 63 HB3 ALA 63 9.223 -5.758 14.902 463 HA PRO 64 HA PRO 64 14.419 -3.919 13.739 464 HB2 PRO 64 HB3 PRO 64 14.251 -1.314 14.485 465 HB3 PRO 64 HB2 PRO 64 14.207 -1.834 12.796 466 HG2 PRO 64 HG2 PRO 64 11.943 -1.100 14.611 467 HG3 PRO 64 HG3 PRO 64 12.201 -0.664 12.912 468 HD2 PRO 64 HD2 PRO 64 10.523 -2.650 13.667 469 HD3 PRO 64 HD3 PRO 64 11.431 -2.696 12.143 470 H ARG 65 H ARG 65 15.141 -4.879 15.542 471 HA ARG 65 HA ARG 65 14.171 -3.873 18.137 472 HB2 ARG 65 HB2 ARG 65 15.013 -6.172 18.962 473 HB3 ARG 65 HB3 ARG 65 13.489 -6.103 18.088 474 HG2 ARG 65 HG2 ARG 65 14.282 -7.281 16.342 475 HG3 ARG 65 HG3 ARG 65 15.884 -6.548 16.437 476 HD2 ARG 65 HD2 ARG 65 16.576 -8.015 18.131 477 HD3 ARG 65 HD3 ARG 65 14.923 -8.505 18.499 478 HE ARG 65 HE ARG 65 15.022 -10.035 16.789 479 HH11 ARG 65 HH11 ARG 65 17.725 -7.853 16.561 480 HH12 ARG 65 HH12 ARG 65 18.535 -8.776 15.339 481 HH21 ARG 65 HH22 ARG 65 16.078 -11.259 15.180 482 HH22 ARG 65 HH21 ARG 65 17.596 -10.713 14.553 483 HA PRO 66 HA PRO 66 18.245 -2.666 19.232 484 HB2 PRO 66 HB3 PRO 66 18.311 -3.258 21.880 485 HB3 PRO 66 HB2 PRO 66 17.373 -1.913 21.220 486 HG2 PRO 66 HG2 PRO 66 16.460 -4.653 22.007 487 HG3 PRO 66 HG3 PRO 66 15.687 -3.086 22.311 488 HD2 PRO 66 HD2 PRO 66 14.886 -4.745 20.326 489 HD3 PRO 66 HD3 PRO 66 14.787 -2.977 20.191 Start of MODEL 5 1 H1 VAL 1 H1 VAL 1 -5.139 -7.887 2.000 2 HA VAL 1 HA VAL 1 -2.537 -8.331 3.294 3 HB VAL 1 HB VAL 1 -2.491 -5.798 3.679 4 HG11 VAL 1 HG11 VAL 1 -1.311 -5.405 1.596 5 HG12 VAL 1 HG12 VAL 1 -0.936 -7.015 2.212 6 HG13 VAL 1 HG13 VAL 1 -2.069 -6.824 0.874 7 HG21 VAL 1 HG21 VAL 1 -4.935 -5.887 2.433 8 HG22 VAL 1 HG22 VAL 1 -3.951 -4.441 2.662 9 HG23 VAL 1 HG23 VAL 1 -3.863 -5.336 1.145 10 HA PRO 2 HA PRO 2 -4.720 -8.245 7.101 11 HB2 PRO 2 HB3 PRO 2 -2.878 -7.131 8.756 12 HB3 PRO 2 HB2 PRO 2 -2.731 -8.774 8.123 13 HG2 PRO 2 HG2 PRO 2 -1.422 -6.255 7.174 14 HG3 PRO 2 HG3 PRO 2 -0.722 -7.871 7.377 15 HD2 PRO 2 HD2 PRO 2 -1.488 -6.908 4.965 16 HD3 PRO 2 HD3 PRO 2 -1.581 -8.632 5.378 17 H VAL 3 H VAL 3 -5.911 -6.924 8.476 18 HA VAL 3 HA VAL 3 -7.166 -5.086 8.984 19 HB VAL 3 HB VAL 3 -4.641 -3.478 8.680 20 HG11 VAL 3 HG11 VAL 3 -7.106 -2.692 9.408 21 HG12 VAL 3 HG12 VAL 3 -6.461 -3.167 10.981 22 HG13 VAL 3 HG13 VAL 3 -5.628 -1.947 10.016 23 HG21 VAL 3 HG21 VAL 3 -3.914 -5.409 9.859 24 HG22 VAL 3 HG22 VAL 3 -4.168 -4.144 11.061 25 HG23 VAL 3 HG23 VAL 3 -5.365 -5.424 10.862 26 H GLY 4 H GLY 4 -7.078 -5.759 6.202 27 HA2 GLY 4 HA2 GLY 4 -7.412 -3.068 5.024 28 HA3 GLY 4 HA3 GLY 4 -6.781 -4.432 4.112 29 H SER 5 H SER 5 -8.914 -5.997 5.818 30 HA SER 5 HA SER 5 -11.028 -5.636 3.822 31 HB2 SER 5 HB2 SER 5 -9.821 -7.919 4.723 32 HB3 SER 5 HB3 SER 5 -11.275 -7.874 5.720 33 HG SER 5 HG SER 5 -11.286 -8.889 3.469 34 H ASP 6 H ASP 6 -10.499 -5.759 7.311 35 HA ASP 6 HA ASP 6 -13.257 -5.306 7.958 36 HB2 ASP 6 HB2 ASP 6 -11.430 -6.443 9.403 37 HB3 ASP 6 HB3 ASP 6 -10.968 -4.801 9.840 38 H CYS 7 H CYS 7 -10.540 -3.328 7.195 39 HA CYS 7 HA CYS 7 -12.192 -0.943 7.579 40 HB2 CYS 7 HB2 CYS 7 -10.758 -1.135 9.582 41 HB3 CYS 7 HB3 CYS 7 -9.333 -1.164 8.547 42 H GLU 8 H GLU 8 -11.691 0.785 6.200 43 HA GLU 8 HA GLU 8 -9.926 0.059 3.956 44 HB2 GLU 8 HB2 GLU 8 -12.173 0.206 3.173 45 HB3 GLU 8 HB3 GLU 8 -12.448 1.709 4.042 46 HG2 GLU 8 HG2 GLU 8 -11.749 2.909 2.322 47 HG3 GLU 8 HG3 GLU 8 -10.243 1.998 2.227 48 HA PRO 9 HA PRO 9 -7.389 3.474 5.177 49 HB2 PRO 9 HB3 PRO 9 -5.838 3.552 2.950 50 HB3 PRO 9 HB2 PRO 9 -5.656 2.320 4.205 51 HG2 PRO 9 HG2 PRO 9 -7.072 2.148 1.573 52 HG3 PRO 9 HG3 PRO 9 -6.009 0.961 2.352 53 HD2 PRO 9 HD2 PRO 9 -8.708 0.756 2.407 54 HD3 PRO 9 HD3 PRO 9 -7.680 0.186 3.737 55 H LYS 10 H LYS 10 -6.749 5.616 4.352 56 HA LYS 10 HA LYS 10 -7.806 6.782 2.038 57 HB2 LYS 10 HB2 LYS 10 -9.994 6.497 2.954 58 HB3 LYS 10 HB3 LYS 10 -9.486 7.106 4.524 59 HG2 LYS 10 HG2 LYS 10 -9.374 9.316 3.757 60 HG3 LYS 10 HG3 LYS 10 -9.400 8.819 2.063 61 HD2 LYS 10 HD2 LYS 10 -11.699 8.091 2.277 62 HD3 LYS 10 HD3 LYS 10 -11.684 8.457 4.004 63 HE2 LYS 10 HE2 LYS 10 -11.457 10.797 3.574 64 HE3 LYS 10 HE3 LYS 10 -11.199 10.512 1.854 65 HZ1 LYS 10 HZ1 LYS 10 -13.605 10.986 3.132 66 HZ2 LYS 10 HZ2 LYS 10 -13.644 9.356 2.678 67 HZ3 LYS 10 HZ3 LYS 10 -13.373 10.552 1.513 68 H LEU 11 H LEU 11 -6.819 7.196 5.380 69 HA LEU 11 HA LEU 11 -5.076 9.377 4.580 70 HB2 LEU 11 HB2 LEU 11 -7.426 10.185 5.428 71 HB3 LEU 11 HB3 LEU 11 -6.739 9.835 7.013 72 HG LEU 11 HG LEU 11 -5.417 11.687 5.043 73 HD11 LEU 11 HD11 LEU 11 -7.357 12.381 7.243 74 HD12 LEU 11 HD12 LEU 11 -7.639 12.555 5.511 75 HD13 LEU 11 HD13 LEU 11 -6.406 13.534 6.307 76 HD21 LEU 11 HD21 LEU 11 -4.889 10.749 7.773 77 HD22 LEU 11 HD22 LEU 11 -4.757 12.493 7.550 78 HD23 LEU 11 HD23 LEU 11 -3.787 11.402 6.560 79 H CYS 12 H CYS 12 -3.169 8.656 5.252 80 HA CYS 12 HA CYS 12 -2.696 8.162 8.036 81 HB2 CYS 12 HB2 CYS 12 -2.009 5.886 7.932 82 HB3 CYS 12 HB3 CYS 12 -3.592 5.958 7.166 83 H THR 13 H THR 13 -0.427 7.933 8.531 84 HA THR 13 HA THR 13 1.340 8.778 6.329 85 HB THR 13 HB THR 13 2.528 9.790 8.615 86 HG1 THR 13 HG1 THR 13 0.470 9.428 9.693 87 HG21 THR 13 HG21 THR 13 1.686 12.007 7.708 88 HG22 THR 13 HG22 THR 13 0.806 11.071 6.500 89 HG23 THR 13 HG23 THR 13 2.567 10.986 6.570 90 H MET 14 H MET 14 3.010 7.469 6.001 91 HA MET 14 HA MET 14 3.482 5.142 7.454 92 HB2 MET 14 HB2 MET 14 5.725 5.153 6.253 93 HB3 MET 14 HB3 MET 14 4.292 5.220 5.236 94 HG2 MET 14 HG2 MET 14 4.958 7.116 4.318 95 HG3 MET 14 HG3 MET 14 5.146 7.873 5.898 96 HE1 MET 14 HE1 MET 14 8.387 6.179 3.192 97 HE2 MET 14 HE2 MET 14 6.777 5.467 3.316 98 HE3 MET 14 HE3 MET 14 6.968 7.118 2.725 99 H ASP 15 H ASP 15 4.670 4.642 9.202 100 HA ASP 15 HA ASP 15 6.290 6.790 10.407 101 HB2 ASP 15 HB2 ASP 15 4.200 5.068 11.532 102 HB3 ASP 15 HB3 ASP 15 5.675 5.105 12.494 103 H LEU 16 H LEU 16 6.244 3.622 9.183 104 HA LEU 16 HA LEU 16 7.861 2.042 8.929 105 HB2 LEU 16 HB2 LEU 16 9.219 4.455 9.026 106 HB3 LEU 16 HB3 LEU 16 10.060 3.445 10.200 107 HG LEU 16 HG LEU 16 11.142 3.338 8.028 108 HD11 LEU 16 HD11 LEU 16 11.189 1.359 9.456 109 HD12 LEU 16 HD12 LEU 16 11.175 0.918 7.749 110 HD13 LEU 16 HD13 LEU 16 9.702 0.778 8.708 111 HD21 LEU 16 HD21 LEU 16 8.959 1.854 6.735 112 HD22 LEU 16 HD22 LEU 16 10.090 3.030 6.065 113 HD23 LEU 16 HD23 LEU 16 8.669 3.580 6.953 114 H VAL 17 H VAL 17 6.301 2.286 11.394 115 HA VAL 17 HA VAL 17 8.157 0.983 13.279 116 HB VAL 17 HB VAL 17 5.589 2.446 13.908 117 HG11 VAL 17 HG11 VAL 17 6.977 0.450 15.358 118 HG12 VAL 17 HG12 VAL 17 7.228 1.987 16.188 119 HG13 VAL 17 HG13 VAL 17 5.591 1.412 15.870 120 HG21 VAL 17 HG21 VAL 17 7.162 4.104 13.410 121 HG22 VAL 17 HG22 VAL 17 7.248 3.944 15.164 122 HG23 VAL 17 HG23 VAL 17 8.484 3.201 14.150 123 HA PRO 18 HA PRO 18 5.465 -2.455 11.999 124 HB2 PRO 18 HB3 PRO 18 7.258 -4.378 12.675 125 HB3 PRO 18 HB2 PRO 18 7.321 -3.503 11.141 126 HG2 PRO 18 HG2 PRO 18 8.896 -3.050 13.646 127 HG3 PRO 18 HG3 PRO 18 9.447 -3.038 11.961 128 HD2 PRO 18 HD2 PRO 18 8.947 -0.766 13.347 129 HD3 PRO 18 HD3 PRO 18 8.685 -0.893 11.595 130 H HIS 19 H HIS 19 3.871 -2.798 13.422 131 HA HIS 19 HA HIS 19 4.599 -3.775 16.103 132 HB2 HIS 19 HB2 HIS 19 2.837 -1.538 15.331 133 HB3 HIS 19 HB3 HIS 19 2.167 -2.630 16.539 134 HD1 HIS 19 HD1 HIS 19 4.650 -3.229 18.208 135 HD2 HIS 19 HD2 HIS 19 3.655 0.565 16.839 136 HE1 HIS 19 HE1 HIS 19 5.814 -1.628 19.759 137 H CYS 20 H CYS 20 2.611 -4.845 17.169 138 HA CYS 20 HA CYS 20 1.497 -6.714 15.203 139 HB2 CYS 20 HB2 CYS 20 1.621 -6.951 18.217 140 HB3 CYS 20 HB3 CYS 20 1.096 -8.204 17.097 141 H PHE 21 H PHE 21 -0.631 -6.860 14.806 142 HA PHE 21 HA PHE 21 -2.503 -5.484 16.598 143 HB2 PHE 21 HB2 PHE 21 -2.745 -5.261 13.603 144 HB3 PHE 21 HB3 PHE 21 -3.583 -4.327 14.839 145 HD1 PHE 21 HD1 PHE 21 -1.894 -3.026 16.471 146 HD2 PHE 21 HD2 PHE 21 -1.071 -4.200 12.463 147 HE1 PHE 21 HE1 PHE 21 -0.174 -1.274 16.314 148 HE2 PHE 21 HE2 PHE 21 0.650 -2.450 12.300 149 HZ PHE 21 HZ PHE 21 1.101 -0.984 14.228 150 H LEU 22 H LEU 22 -4.765 -6.131 16.247 151 HA LEU 22 HA LEU 22 -4.899 -8.973 15.558 152 HB2 LEU 22 HB2 LEU 22 -6.016 -7.372 17.614 153 HB3 LEU 22 HB3 LEU 22 -7.345 -7.997 16.642 154 HG LEU 22 HG LEU 22 -5.389 -10.042 17.349 155 HD11 LEU 22 HD11 LEU 22 -5.415 -8.395 19.338 156 HD12 LEU 22 HD12 LEU 22 -5.649 -10.114 19.649 157 HD13 LEU 22 HD13 LEU 22 -7.036 -9.025 19.630 158 HD21 LEU 22 HD21 LEU 22 -7.910 -10.044 16.473 159 HD22 LEU 22 HD22 LEU 22 -8.220 -10.129 18.207 160 HD23 LEU 22 HD23 LEU 22 -7.230 -11.363 17.428 161 H ASN 23 H ASN 23 -5.979 -9.706 13.839 162 HA ASN 23 HA ASN 23 -7.642 -7.789 12.341 163 HB2 ASN 23 HB2 ASN 23 -5.521 -8.516 11.214 164 HB3 ASN 23 HB3 ASN 23 -6.148 -10.162 11.207 165 HD21 ASN 23 HD22 ASN 23 -5.443 -8.898 8.883 166 HD22 ASN 23 HD21 ASN 23 -6.858 -8.578 7.946 167 HA PRO 24 HA PRO 24 -10.921 -10.631 13.373 168 HB2 PRO 24 HB3 PRO 24 -12.878 -9.263 12.081 169 HB3 PRO 24 HB2 PRO 24 -12.238 -8.769 13.653 170 HG2 PRO 24 HG2 PRO 24 -11.574 -7.728 10.926 171 HG3 PRO 24 HG3 PRO 24 -11.849 -6.830 12.430 172 HD2 PRO 24 HD2 PRO 24 -9.369 -7.346 11.475 173 HD3 PRO 24 HD3 PRO 24 -9.720 -7.239 13.212 174 H GLU 25 H GLU 25 -9.812 -9.716 10.229 175 HA GLU 25 HA GLU 25 -11.549 -11.538 8.809 176 HB2 GLU 25 HB2 GLU 25 -10.616 -9.345 7.892 177 HB3 GLU 25 HB3 GLU 25 -9.085 -10.191 7.717 178 HG2 GLU 25 HG2 GLU 25 -9.987 -10.420 5.623 179 HG3 GLU 25 HG3 GLU 25 -10.490 -11.924 6.393 180 H LYS 26 H LYS 26 -8.427 -11.604 10.284 181 HA LYS 26 HA LYS 26 -8.137 -14.407 9.493 182 HB2 LYS 26 HB2 LYS 26 -5.538 -13.664 9.445 183 HB3 LYS 26 HB3 LYS 26 -6.552 -13.765 8.012 184 HG2 LYS 26 HG2 LYS 26 -6.755 -11.487 7.825 185 HG3 LYS 26 HG3 LYS 26 -6.454 -11.211 9.542 186 HD2 LYS 26 HD2 LYS 26 -4.416 -10.572 8.813 187 HD3 LYS 26 HD3 LYS 26 -4.099 -12.308 8.804 188 HE2 LYS 26 HE2 LYS 26 -4.892 -12.323 6.412 189 HE3 LYS 26 HE3 LYS 26 -4.887 -10.561 6.481 190 HZ1 LYS 26 HZ1 LYS 26 -2.793 -10.835 5.751 191 HZ2 LYS 26 HZ2 LYS 26 -2.660 -12.416 6.338 192 HZ3 LYS 26 HZ3 LYS 26 -2.443 -11.105 7.384 193 H GLY 27 H GLY 27 -6.013 -12.115 11.197 194 HA2 GLY 27 HA2 GLY 27 -6.650 -12.696 13.810 195 HA3 GLY 27 HA3 GLY 27 -5.547 -13.974 13.319 196 H ILE 28 H ILE 28 -3.935 -13.327 14.750 197 HA ILE 28 HA ILE 28 -2.951 -10.730 15.053 198 HB ILE 28 HB ILE 28 -2.326 -12.371 16.663 199 HG12 ILE 28 HG12 ILE 28 -0.575 -10.601 15.662 200 HG13 ILE 28 HG13 ILE 28 -0.176 -11.683 16.992 201 HG21 ILE 28 HG21 ILE 28 -2.435 -14.382 15.401 202 HG22 ILE 28 HG22 ILE 28 -1.119 -13.867 14.348 203 HG23 ILE 28 HG23 ILE 28 -0.794 -14.260 16.036 204 HD11 ILE 28 HD11 ILE 28 0.342 -12.494 14.164 205 HD12 ILE 28 HD12 ILE 28 1.469 -11.450 15.031 206 HD13 ILE 28 HD13 ILE 28 1.106 -13.062 15.648 207 H VAL 29 H VAL 29 -1.665 -9.468 13.864 208 HA VAL 29 HA VAL 29 0.119 -10.611 11.875 209 HB VAL 29 HB VAL 29 -2.074 -8.683 11.100 210 HG11 VAL 29 HG11 VAL 29 -0.594 -7.926 9.607 211 HG12 VAL 29 HG12 VAL 29 0.531 -9.250 9.922 212 HG13 VAL 29 HG13 VAL 29 -0.807 -9.477 8.794 213 HG21 VAL 29 HG21 VAL 29 -2.513 -10.589 9.421 214 HG22 VAL 29 HG22 VAL 29 -1.563 -11.580 10.528 215 HG23 VAL 29 HG23 VAL 29 -3.043 -10.803 11.090 216 H VAL 30 H VAL 30 1.945 -9.456 11.690 217 HA VAL 30 HA VAL 30 2.046 -6.853 13.052 218 HB VAL 30 HB VAL 30 3.561 -8.556 13.955 219 HG11 VAL 30 HG11 VAL 30 5.376 -9.468 12.668 220 HG12 VAL 30 HG12 VAL 30 3.859 -9.807 11.831 221 HG13 VAL 30 HG13 VAL 30 4.912 -8.512 11.260 222 HG21 VAL 30 HG21 VAL 30 5.723 -7.056 13.012 223 HG22 VAL 30 HG22 VAL 30 4.335 -5.968 12.958 224 HG23 VAL 30 HG23 VAL 30 4.774 -6.763 14.470 225 H VAL 31 H VAL 31 2.464 -5.047 11.946 226 HA VAL 31 HA VAL 31 3.858 -5.151 9.398 227 HB VAL 31 HB VAL 31 2.045 -3.685 8.355 228 HG11 VAL 31 HG11 VAL 31 0.955 -6.419 8.767 229 HG12 VAL 31 HG12 VAL 31 1.185 -5.504 7.276 230 HG13 VAL 31 HG13 VAL 31 2.567 -6.262 8.068 231 HG21 VAL 31 HG21 VAL 31 0.319 -5.003 10.445 232 HG22 VAL 31 HG22 VAL 31 0.844 -3.321 10.515 233 HG23 VAL 31 HG23 VAL 31 -0.188 -3.868 9.194 234 H HIS 32 H HIS 32 4.536 -3.060 8.642 235 HA HIS 32 HA HIS 32 4.705 -1.096 10.825 236 HB2 HIS 32 HB2 HIS 32 6.688 -0.231 9.457 237 HB3 HIS 32 HB3 HIS 32 6.892 -1.781 10.267 238 HD1 HIS 32 HD1 HIS 32 7.675 -3.656 8.842 239 HD2 HIS 32 HD2 HIS 32 6.048 -0.563 6.595 240 HE1 HIS 32 HE1 HIS 32 8.071 -4.289 6.440 241 H GLY 33 H GLY 33 4.460 1.130 10.373 242 HA2 GLY 33 HA2 GLY 33 4.093 2.862 8.654 243 HA3 GLY 33 HA3 GLY 33 3.074 1.695 7.824 244 H GLY 34 H GLY 34 2.781 4.462 9.279 245 HA2 GLY 34 HA2 GLY 34 1.059 4.265 11.427 246 HA3 GLY 34 HA3 GLY 34 1.007 5.561 10.241 247 H CYS 35 H CYS 35 0.399 3.631 8.063 248 HA CYS 35 HA CYS 35 -2.369 3.875 8.016 249 HB2 CYS 35 HB2 CYS 35 -0.342 2.773 6.337 250 HB3 CYS 35 HB3 CYS 35 -1.650 1.600 6.459 251 H ALA 36 H ALA 36 -0.391 1.048 8.866 252 HA ALA 36 HA ALA 36 -2.519 -0.714 9.375 253 HB1 ALA 36 HB1 ALA 36 0.343 -0.634 10.260 254 HB2 ALA 36 HB2 ALA 36 -0.759 -1.882 10.845 255 HB3 ALA 36 HB3 ALA 36 -0.439 -1.727 9.118 256 H LEU 37 H LEU 37 -1.015 1.762 11.330 257 HA LEU 37 HA LEU 37 -2.219 0.905 13.793 258 HB2 LEU 37 HB2 LEU 37 -0.072 2.228 13.540 259 HB3 LEU 37 HB3 LEU 37 -1.088 3.624 13.186 260 HG LEU 37 HG LEU 37 -2.071 3.498 15.407 261 HD11 LEU 37 HD11 LEU 37 -1.086 1.930 17.072 262 HD12 LEU 37 HD12 LEU 37 -0.277 1.102 15.742 263 HD13 LEU 37 HD13 LEU 37 -2.039 1.142 15.815 264 HD21 LEU 37 HD21 LEU 37 0.867 3.713 15.039 265 HD22 LEU 37 HD22 LEU 37 0.241 3.694 16.688 266 HD23 LEU 37 HD23 LEU 37 -0.305 4.928 15.552 267 H SER 38 H SER 38 -2.874 3.401 11.373 268 HA SER 38 HA SER 38 -5.039 4.596 12.754 269 HB2 SER 38 HB2 SER 38 -3.610 5.380 10.648 270 HB3 SER 38 HB3 SER 38 -4.957 4.652 9.773 271 HG SER 38 HG SER 38 -6.360 6.024 10.922 272 H LYS 39 H LYS 39 -4.831 2.033 10.336 273 HA LYS 39 HA LYS 39 -7.659 1.733 10.054 274 HB2 LYS 39 HB2 LYS 39 -5.333 -0.027 9.277 275 HB3 LYS 39 HB3 LYS 39 -7.007 -0.437 8.926 276 HG2 LYS 39 HG2 LYS 39 -7.173 1.074 7.262 277 HG3 LYS 39 HG3 LYS 39 -6.122 2.241 8.068 278 HD2 LYS 39 HD2 LYS 39 -4.637 1.642 6.486 279 HD3 LYS 39 HD3 LYS 39 -4.365 0.244 7.529 280 HE2 LYS 39 HE2 LYS 39 -6.526 -0.556 6.069 281 HE3 LYS 39 HE3 LYS 39 -5.642 0.420 4.896 282 HZ1 LYS 39 HZ1 LYS 39 -4.236 -1.618 6.495 283 HZ2 LYS 39 HZ2 LYS 39 -3.817 -0.968 4.990 284 HZ3 LYS 39 HZ3 LYS 39 -5.096 -2.068 5.109 285 H TYR 40 H TYR 40 -5.144 0.038 11.880 286 HA TYR 40 HA TYR 40 -6.608 -2.082 12.876 287 HB2 TYR 40 HB2 TYR 40 -4.256 -2.006 13.277 288 HB3 TYR 40 HB3 TYR 40 -4.384 -0.476 14.137 289 HD1 TYR 40 HD2 TYR 40 -6.471 -3.529 14.536 290 HD2 TYR 40 HD1 TYR 40 -3.537 -0.975 16.259 291 HE1 TYR 40 HE2 TYR 40 -6.668 -4.748 16.664 292 HE2 TYR 40 HE1 TYR 40 -3.725 -2.187 18.391 293 HH TYR 40 HH TYR 40 -5.772 -3.673 19.489 294 H LYS 41 H LYS 41 -6.419 1.238 14.074 295 HA LYS 41 HA LYS 41 -8.044 0.765 16.372 296 HB2 LYS 41 HB2 LYS 41 -6.355 2.702 15.852 297 HB3 LYS 41 HB3 LYS 41 -7.756 3.470 15.117 298 HG2 LYS 41 HG2 LYS 41 -8.936 3.477 17.182 299 HG3 LYS 41 HG3 LYS 41 -7.716 2.456 17.948 300 HD2 LYS 41 HD2 LYS 41 -6.062 4.250 17.677 301 HD3 LYS 41 HD3 LYS 41 -7.298 5.270 16.935 302 HE2 LYS 41 HE2 LYS 41 -8.627 4.919 19.087 303 HE3 LYS 41 HE3 LYS 41 -7.129 4.293 19.773 304 HZ1 LYS 41 HZ1 LYS 41 -7.288 6.594 20.297 305 HZ2 LYS 41 HZ2 LYS 41 -7.598 7.015 18.688 306 HZ3 LYS 41 HZ3 LYS 41 -6.074 6.429 19.131 307 H CYS 42 H CYS 42 -8.668 1.466 13.044 308 HA CYS 42 HA CYS 42 -11.360 2.397 13.452 309 HB2 CYS 42 HB2 CYS 42 -10.693 3.267 11.465 310 HB3 CYS 42 HB3 CYS 42 -9.561 1.955 11.156 311 H GLN 43 H GLN 43 -9.903 -0.568 12.123 312 HA GLN 43 HA GLN 43 -12.333 -1.944 11.756 313 HB2 GLN 43 HB2 GLN 43 -10.798 -4.002 11.827 314 HB3 GLN 43 HB3 GLN 43 -10.507 -2.807 10.570 315 HG2 GLN 43 HG2 GLN 43 -8.433 -2.497 11.266 316 HG3 GLN 43 HG3 GLN 43 -8.984 -2.153 12.905 317 HE21 GLN 43 HE22 GLN 43 -8.028 -4.693 10.687 318 HE22 GLN 43 HE21 GLN 43 -7.590 -5.846 11.896 319 H ASN 44 H ASN 44 -10.032 -1.878 14.445 320 HA ASN 44 HA ASN 44 -12.124 -3.016 16.162 321 HB2 ASN 44 HB2 ASN 44 -9.268 -3.946 15.919 322 HB3 ASN 44 HB3 ASN 44 -10.216 -4.242 17.373 323 HD21 ASN 44 HD22 ASN 44 -11.796 -5.772 17.358 324 HD22 ASN 44 HD21 ASN 44 -12.077 -6.841 16.029 325 HA PRO 45 HA PRO 45 -10.359 0.877 17.938 326 HB2 PRO 45 HB3 PRO 45 -12.764 1.890 18.685 327 HB3 PRO 45 HB2 PRO 45 -12.087 2.116 17.067 328 HG2 PRO 45 HG2 PRO 45 -14.141 0.150 18.004 329 HG3 PRO 45 HG3 PRO 45 -14.118 1.123 16.522 330 HD2 PRO 45 HD2 PRO 45 -13.408 -1.489 16.560 331 HD3 PRO 45 HD3 PRO 45 -12.672 -0.316 15.449 332 H ASN 46 H ASN 46 -12.055 -1.832 19.043 333 HA ASN 46 HA ASN 46 -11.793 -0.978 21.848 334 HB2 ASN 46 HB2 ASN 46 -13.343 -2.984 22.261 335 HB3 ASN 46 HB3 ASN 46 -14.049 -1.560 21.501 336 HD21 ASN 46 HD22 ASN 46 -12.727 -4.756 20.867 337 HD22 ASN 46 HD21 ASN 46 -13.616 -5.036 19.413 338 H HIS 47 H HIS 47 -9.758 -2.157 19.936 339 HA HIS 47 HA HIS 47 -9.050 -4.538 21.519 340 HB2 HIS 47 HB2 HIS 47 -8.716 -3.860 18.638 341 HB3 HIS 47 HB3 HIS 47 -7.454 -4.824 19.401 342 HD1 HIS 47 HD1 HIS 47 -8.364 -6.658 17.625 343 HD2 HIS 47 HD2 HIS 47 -10.876 -5.728 20.800 344 HE1 HIS 47 HE1 HIS 47 -10.033 -8.536 17.734 345 H GLU 48 H GLU 48 -6.645 -4.909 21.678 346 HA GLU 48 HA GLU 48 -5.259 -2.340 22.086 347 HB2 GLU 48 HB2 GLU 48 -5.929 -4.226 24.017 348 HB3 GLU 48 HB3 GLU 48 -4.231 -4.538 23.691 349 HG2 GLU 48 HG2 GLU 48 -3.715 -2.190 24.140 350 HG3 GLU 48 HG3 GLU 48 -5.418 -1.888 24.483 351 H LYS 49 H LYS 49 -3.354 -2.082 21.106 352 HA LYS 49 HA LYS 49 -2.424 -3.898 19.181 353 HB2 LYS 49 HB2 LYS 49 -1.929 -1.545 18.989 354 HB3 LYS 49 HB3 LYS 49 -1.049 -1.560 20.511 355 HG2 LYS 49 HG2 LYS 49 0.564 -3.163 19.444 356 HG3 LYS 49 HG3 LYS 49 -0.250 -2.840 17.911 357 HD2 LYS 49 HD2 LYS 49 1.371 -1.254 17.765 358 HD3 LYS 49 HD3 LYS 49 0.186 -0.322 18.684 359 HE2 LYS 49 HE2 LYS 49 1.377 -1.315 20.757 360 HE3 LYS 49 HE3 LYS 49 2.690 -1.664 19.635 361 HZ1 LYS 49 HZ1 LYS 49 2.378 0.824 19.009 362 HZ2 LYS 49 HZ2 LYS 49 3.262 0.406 20.389 363 HZ3 LYS 49 HZ3 LYS 49 1.663 0.935 20.538 364 H LEU 50 H LEU 50 -1.016 -5.549 19.240 365 HA LEU 50 HA LEU 50 -0.077 -6.455 21.821 366 HB2 LEU 50 HB2 LEU 50 -0.073 -7.606 19.054 367 HB3 LEU 50 HB3 LEU 50 0.869 -8.348 20.346 368 HG LEU 50 HG LEU 50 -2.110 -7.911 20.494 369 HD11 LEU 50 HD11 LEU 50 -0.562 -9.927 19.075 370 HD12 LEU 50 HD12 LEU 50 -2.278 -9.537 18.977 371 HD13 LEU 50 HD13 LEU 50 -1.690 -10.613 20.244 372 HD21 LEU 50 HD21 LEU 50 -0.731 -10.015 22.033 373 HD22 LEU 50 HD22 LEU 50 -2.052 -8.944 22.499 374 HD23 LEU 50 HD23 LEU 50 -0.391 -8.352 22.517 375 H GLY 51 H GLY 51 2.190 -7.280 22.034 376 HA2 GLY 51 HA2 GLY 51 4.075 -5.482 20.637 377 HA3 GLY 51 HA3 GLY 51 4.204 -5.835 22.354 378 H TYR 52 H TYR 52 5.492 -7.454 22.956 379 HA TYR 52 HA TYR 52 6.624 -9.147 20.852 380 HB2 TYR 52 HB2 TYR 52 8.308 -9.721 22.670 381 HB3 TYR 52 HB3 TYR 52 8.321 -8.056 22.098 382 HD1 TYR 52 HD1 TYR 52 7.463 -10.266 24.902 383 HD2 TYR 52 HD2 TYR 52 7.652 -6.240 23.540 384 HE1 TYR 52 HE1 TYR 52 7.184 -9.477 27.215 385 HE2 TYR 52 HE2 TYR 52 7.374 -5.439 25.849 386 HH TYR 52 HH TYR 52 6.302 -7.338 28.336 387 H THR 53 H THR 53 4.026 -9.782 21.616 388 HA THR 53 HA THR 53 3.870 -11.752 23.634 389 HB THR 53 HB THR 53 2.059 -11.823 21.249 390 HG1 THR 53 HG1 THR 53 1.720 -9.940 23.343 391 HG21 THR 53 HG21 THR 53 1.964 -12.546 24.117 392 HG22 THR 53 HG22 THR 53 1.225 -13.335 22.725 393 HG23 THR 53 HG23 THR 53 0.480 -11.895 23.420 394 H HIS 54 H HIS 54 3.659 -14.033 23.426 395 HA HIS 54 HA HIS 54 5.626 -15.273 21.889 396 HB2 HIS 54 HB2 HIS 54 3.349 -16.190 23.555 397 HB3 HIS 54 HB3 HIS 54 4.003 -17.358 22.409 398 HD1 HIS 54 HD1 HIS 54 4.870 -18.779 24.422 399 HD2 HIS 54 HD2 HIS 54 6.560 -14.996 24.112 400 HE1 HIS 54 HE1 HIS 54 6.879 -18.814 25.935 401 H GLU 55 H GLU 55 2.416 -14.347 21.067 402 HA GLU 55 HA GLU 55 2.127 -16.170 18.862 403 HB2 GLU 55 HB2 GLU 55 0.564 -13.651 19.450 404 HB3 GLU 55 HB3 GLU 55 0.092 -14.946 18.360 405 HG2 GLU 55 HG2 GLU 55 0.541 -16.197 20.804 406 HG3 GLU 55 HG3 GLU 55 -0.300 -14.699 21.200 407 H CYS 56 H CYS 56 3.388 -12.969 19.358 408 HA CYS 56 HA CYS 56 3.612 -12.517 16.474 409 HB2 CYS 56 HB2 CYS 56 3.065 -10.807 18.595 410 HB3 CYS 56 HB3 CYS 56 4.739 -10.447 18.186 411 H GLU 57 H GLU 57 5.216 -14.498 18.027 412 HA GLU 57 HA GLU 57 7.815 -13.707 18.510 413 HB2 GLU 57 HB2 GLU 57 6.600 -16.047 18.697 414 HB3 GLU 57 HB3 GLU 57 7.347 -16.313 17.128 415 HG2 GLU 57 HG2 GLU 57 9.322 -16.712 18.046 416 HG3 GLU 57 HG3 GLU 57 9.248 -15.235 19.005 417 H GLU 58 H GLU 58 6.192 -14.186 15.466 418 HA GLU 58 HA GLU 58 8.536 -14.292 13.848 419 HB2 GLU 58 HB2 GLU 58 5.692 -14.418 13.458 420 HB3 GLU 58 HB3 GLU 58 6.392 -13.286 12.309 421 HG2 GLU 58 HG2 GLU 58 7.825 -14.946 11.412 422 HG3 GLU 58 HG3 GLU 58 7.443 -16.071 12.714 423 H ALA 59 H ALA 59 6.421 -11.719 14.975 424 HA ALA 59 HA ALA 59 7.278 -9.637 13.339 425 HB1 ALA 59 HB1 ALA 59 6.281 -9.634 16.178 426 HB2 ALA 59 HB2 ALA 59 6.603 -8.158 15.267 427 HB3 ALA 59 HB3 ALA 59 5.375 -9.291 14.704 428 H ILE 60 H ILE 60 8.834 -11.153 16.057 429 HA ILE 60 HA ILE 60 10.624 -9.232 16.891 430 HB ILE 60 HB ILE 60 11.197 -12.179 16.557 431 HG12 ILE 60 HG12 ILE 60 9.189 -11.763 17.901 432 HG13 ILE 60 HG13 ILE 60 10.502 -12.360 18.909 433 HG21 ILE 60 HG21 ILE 60 13.277 -11.356 17.006 434 HG22 ILE 60 HG22 ILE 60 12.656 -9.947 17.865 435 HG23 ILE 60 HG23 ILE 60 12.668 -11.524 18.653 436 HD11 ILE 60 HD11 ILE 60 10.267 -10.613 20.235 437 HD12 ILE 60 HD12 ILE 60 10.637 -9.533 18.892 438 HD13 ILE 60 HD13 ILE 60 8.968 -10.004 19.211 439 H LYS 61 H LYS 61 10.969 -11.492 14.174 440 HA LYS 61 HA LYS 61 13.492 -10.313 13.383 441 HB2 LYS 61 HB2 LYS 61 13.363 -11.937 11.502 442 HB3 LYS 61 HB3 LYS 61 13.242 -12.692 13.085 443 HG2 LYS 61 HG2 LYS 61 10.907 -13.027 12.844 444 HG3 LYS 61 HG3 LYS 61 10.846 -12.009 11.403 445 HD2 LYS 61 HD2 LYS 61 11.130 -13.844 10.177 446 HD3 LYS 61 HD3 LYS 61 12.754 -13.984 10.853 447 HE2 LYS 61 HE2 LYS 61 11.908 -15.344 12.674 448 HE3 LYS 61 HE3 LYS 61 10.257 -15.141 12.089 449 HZ1 LYS 61 HZ1 LYS 61 11.894 -17.192 11.451 450 HZ2 LYS 61 HZ2 LYS 61 12.067 -16.178 10.108 451 HZ3 LYS 61 HZ3 LYS 61 10.533 -16.725 10.561 452 H ASN 62 H ASN 62 10.126 -10.175 12.436 453 HA ASN 62 HA ASN 62 10.429 -8.951 9.928 454 HB2 ASN 62 HB2 ASN 62 8.293 -9.738 11.564 455 HB3 ASN 62 HB3 ASN 62 8.073 -8.007 11.320 456 HD21 ASN 62 HD22 ASN 62 7.187 -10.883 10.172 457 HD22 ASN 62 HD21 ASN 62 6.914 -10.493 8.511 458 H ALA 63 H ALA 63 10.329 -7.632 13.187 459 HA ALA 63 HA ALA 63 10.387 -4.895 12.231 460 HB1 ALA 63 HB1 ALA 63 9.175 -4.954 14.168 461 HB2 ALA 63 HB2 ALA 63 10.183 -6.207 14.893 462 HB3 ALA 63 HB3 ALA 63 10.765 -4.544 14.813 463 HA PRO 64 HA PRO 64 14.726 -4.245 12.248 464 HB2 PRO 64 HB3 PRO 64 14.934 -1.751 13.300 465 HB3 PRO 64 HB2 PRO 64 14.303 -2.059 11.678 466 HG2 PRO 64 HG2 PRO 64 12.815 -1.547 14.225 467 HG3 PRO 64 HG3 PRO 64 12.506 -0.906 12.600 468 HD2 PRO 64 HD2 PRO 64 11.093 -2.965 13.647 469 HD3 PRO 64 HD3 PRO 64 11.433 -2.826 11.910 470 H ARG 65 H ARG 65 15.174 -5.906 13.844 471 HA ARG 65 HA ARG 65 15.128 -5.585 16.598 472 HB2 ARG 65 HB2 ARG 65 17.045 -7.275 16.566 473 HB3 ARG 65 HB3 ARG 65 15.541 -7.756 15.793 474 HG2 ARG 65 HG2 ARG 65 17.328 -6.458 13.927 475 HG3 ARG 65 HG3 ARG 65 18.080 -7.857 14.697 476 HD2 ARG 65 HD2 ARG 65 15.420 -7.826 13.276 477 HD3 ARG 65 HD3 ARG 65 16.924 -8.492 12.643 478 HE ARG 65 HE ARG 65 15.134 -9.740 14.486 479 HH11 ARG 65 HH11 ARG 65 18.470 -9.511 13.517 480 HH12 ARG 65 HH12 ARG 65 18.885 -11.087 14.105 481 HH21 ARG 65 HH22 ARG 65 15.668 -11.817 15.264 482 HH22 ARG 65 HH21 ARG 65 17.290 -12.398 15.098 483 HA PRO 66 HA PRO 66 18.321 -2.767 17.656 484 HB2 PRO 66 HB3 PRO 66 19.266 -3.848 19.960 485 HB3 PRO 66 HB2 PRO 66 17.693 -3.051 19.848 486 HG2 PRO 66 HG2 PRO 66 18.344 -5.972 19.794 487 HG3 PRO 66 HG3 PRO 66 17.036 -5.133 20.648 488 HD2 PRO 66 HD2 PRO 66 16.643 -6.448 18.314 489 HD3 PRO 66 HD3 PRO 66 15.719 -4.999 18.761 Start of MODEL 6 1 H1 VAL 1 H1 VAL 1 -3.213 -6.762 0.727 2 HA VAL 1 HA VAL 1 -1.764 -5.489 2.947 3 HB VAL 1 HB VAL 1 -3.853 -4.117 1.247 4 HG11 VAL 1 HG11 VAL 1 -4.129 -3.191 3.346 5 HG12 VAL 1 HG12 VAL 1 -2.423 -3.368 3.763 6 HG13 VAL 1 HG13 VAL 1 -2.930 -2.117 2.627 7 HG21 VAL 1 HG21 VAL 1 -0.860 -3.912 1.336 8 HG22 VAL 1 HG22 VAL 1 -1.916 -4.126 -0.061 9 HG23 VAL 1 HG23 VAL 1 -1.859 -2.573 0.772 10 HA PRO 2 HA PRO 2 -5.234 -7.685 4.856 11 HB2 PRO 2 HB3 PRO 2 -4.124 -7.711 7.334 12 HB3 PRO 2 HB2 PRO 2 -3.691 -8.874 6.075 13 HG2 PRO 2 HG2 PRO 2 -2.259 -6.389 6.932 14 HG3 PRO 2 HG3 PRO 2 -1.594 -7.987 6.546 15 HD2 PRO 2 HD2 PRO 2 -1.534 -5.923 4.795 16 HD3 PRO 2 HD3 PRO 2 -1.681 -7.614 4.273 17 H VAL 3 H VAL 3 -7.013 -6.619 5.426 18 HA VAL 3 HA VAL 3 -6.793 -4.355 7.280 19 HB VAL 3 HB VAL 3 -7.013 -3.569 4.873 20 HG11 VAL 3 HG11 VAL 3 -9.067 -3.777 3.738 21 HG12 VAL 3 HG12 VAL 3 -8.686 -5.399 4.321 22 HG13 VAL 3 HG13 VAL 3 -9.882 -4.414 5.166 23 HG21 VAL 3 HG21 VAL 3 -9.404 -2.571 6.290 24 HG22 VAL 3 HG22 VAL 3 -7.879 -2.486 7.172 25 HG23 VAL 3 HG23 VAL 3 -8.038 -1.689 5.607 26 H GLY 4 H GLY 4 -7.949 -7.312 6.870 27 HA2 GLY 4 HA2 GLY 4 -9.572 -8.513 7.971 28 HA3 GLY 4 HA3 GLY 4 -9.939 -7.056 8.882 29 H SER 5 H SER 5 -10.092 -6.457 5.586 30 HA SER 5 HA SER 5 -11.841 -5.874 4.241 31 HB2 SER 5 HB2 SER 5 -11.823 -8.378 4.055 32 HB3 SER 5 HB3 SER 5 -13.076 -8.427 5.295 33 HG SER 5 HG SER 5 -13.214 -7.410 2.670 34 H ASP 6 H ASP 6 -11.912 -4.839 6.946 35 HA ASP 6 HA ASP 6 -14.810 -4.373 7.156 36 HB2 ASP 6 HB2 ASP 6 -13.627 -5.868 8.990 37 HB3 ASP 6 HB3 ASP 6 -13.129 -4.303 9.625 38 H CYS 7 H CYS 7 -11.548 -3.172 7.757 39 HA CYS 7 HA CYS 7 -12.540 -0.476 8.231 40 HB2 CYS 7 HB2 CYS 7 -10.659 -1.425 9.576 41 HB3 CYS 7 HB3 CYS 7 -9.681 -1.456 8.113 42 H GLU 8 H GLU 8 -11.965 1.323 6.956 43 HA GLU 8 HA GLU 8 -11.157 0.646 4.204 44 HB2 GLU 8 HB2 GLU 8 -12.543 2.621 3.509 45 HB3 GLU 8 HB3 GLU 8 -13.461 1.268 4.154 46 HG2 GLU 8 HG2 GLU 8 -12.705 3.182 6.202 47 HG3 GLU 8 HG3 GLU 8 -13.679 3.899 4.920 48 HA PRO 9 HA PRO 9 -7.840 3.415 5.587 49 HB2 PRO 9 HB3 PRO 9 -6.076 2.580 3.700 50 HB3 PRO 9 HB2 PRO 9 -6.359 1.700 5.206 51 HG2 PRO 9 HG2 PRO 9 -7.463 1.179 2.473 52 HG3 PRO 9 HG3 PRO 9 -6.834 0.026 3.664 53 HD2 PRO 9 HD2 PRO 9 -9.484 0.441 3.296 54 HD3 PRO 9 HD3 PRO 9 -8.794 0.016 4.876 55 H LYS 10 H LYS 10 -8.156 5.472 5.007 56 HA LYS 10 HA LYS 10 -7.764 6.226 2.224 57 HB2 LYS 10 HB2 LYS 10 -9.796 7.766 2.392 58 HB3 LYS 10 HB3 LYS 10 -10.111 6.052 2.150 59 HG2 LYS 10 HG2 LYS 10 -10.818 5.753 4.361 60 HG3 LYS 10 HG3 LYS 10 -10.111 7.283 4.884 61 HD2 LYS 10 HD2 LYS 10 -11.936 7.886 2.819 62 HD3 LYS 10 HD3 LYS 10 -12.747 6.755 3.905 63 HE2 LYS 10 HE2 LYS 10 -11.274 9.173 4.914 64 HE3 LYS 10 HE3 LYS 10 -12.967 9.243 4.426 65 HZ1 LYS 10 HZ1 LYS 10 -11.825 7.520 6.559 66 HZ2 LYS 10 HZ2 LYS 10 -13.441 7.496 6.058 67 HZ3 LYS 10 HZ3 LYS 10 -12.802 8.883 6.786 68 H LEU 11 H LEU 11 -6.592 6.542 5.047 69 HA LEU 11 HA LEU 11 -5.427 9.053 4.684 70 HB2 LEU 11 HB2 LEU 11 -7.445 10.120 5.211 71 HB3 LEU 11 HB3 LEU 11 -7.809 8.979 6.505 72 HG LEU 11 HG LEU 11 -5.375 10.506 6.994 73 HD11 LEU 11 HD11 LEU 11 -6.232 12.396 6.034 74 HD12 LEU 11 HD12 LEU 11 -6.924 12.523 7.650 75 HD13 LEU 11 HD13 LEU 11 -7.906 11.917 6.316 76 HD21 LEU 11 HD21 LEU 11 -6.142 9.432 8.858 77 HD22 LEU 11 HD22 LEU 11 -7.838 9.654 8.426 78 HD23 LEU 11 HD23 LEU 11 -6.911 11.005 9.082 79 H CYS 12 H CYS 12 -3.498 8.501 5.451 80 HA CYS 12 HA CYS 12 -3.153 7.925 8.238 81 HB2 CYS 12 HB2 CYS 12 -2.148 5.748 8.044 82 HB3 CYS 12 HB3 CYS 12 -3.742 5.682 7.300 83 H THR 13 H THR 13 -0.693 7.283 8.572 84 HA THR 13 HA THR 13 0.919 8.947 6.749 85 HB THR 13 HB THR 13 2.097 8.935 9.351 86 HG1 THR 13 HG1 THR 13 0.334 8.952 10.531 87 HG21 THR 13 HG21 THR 13 2.365 10.615 7.520 88 HG22 THR 13 HG22 THR 13 2.016 11.323 9.097 89 HG23 THR 13 HG23 THR 13 0.741 11.198 7.885 90 H MET 14 H MET 14 2.983 8.248 6.284 91 HA MET 14 HA MET 14 3.468 5.443 6.621 92 HB2 MET 14 HB2 MET 14 5.306 5.734 5.156 93 HB3 MET 14 HB3 MET 14 4.051 6.818 4.572 94 HG2 MET 14 HG2 MET 14 5.736 8.294 4.498 95 HG3 MET 14 HG3 MET 14 5.370 8.484 6.211 96 HE1 MET 14 HE1 MET 14 8.499 8.696 7.425 97 HE2 MET 14 HE2 MET 14 8.888 9.124 5.759 98 HE3 MET 14 HE3 MET 14 7.330 9.584 6.446 99 H ASP 15 H ASP 15 5.285 4.479 7.630 100 HA ASP 15 HA ASP 15 7.185 5.888 9.158 101 HB2 ASP 15 HB2 ASP 15 4.730 5.917 10.397 102 HB3 ASP 15 HB3 ASP 15 5.505 4.516 11.131 103 H LEU 16 H LEU 16 8.121 4.280 10.938 104 HA LEU 16 HA LEU 16 8.157 1.583 9.753 105 HB2 LEU 16 HB2 LEU 16 10.527 1.436 10.218 106 HB3 LEU 16 HB3 LEU 16 10.185 2.810 9.169 107 HG LEU 16 HG LEU 16 10.475 3.223 12.117 108 HD11 LEU 16 HD11 LEU 16 12.748 3.153 12.113 109 HD12 LEU 16 HD12 LEU 16 12.871 3.503 10.389 110 HD13 LEU 16 HD13 LEU 16 12.430 1.884 10.931 111 HD21 LEU 16 HD21 LEU 16 10.503 4.841 9.642 112 HD22 LEU 16 HD22 LEU 16 11.618 5.325 10.920 113 HD23 LEU 16 HD23 LEU 16 9.888 5.229 11.249 114 H VAL 17 H VAL 17 6.436 2.140 11.791 115 HA VAL 17 HA VAL 17 7.748 1.054 14.193 116 HB VAL 17 HB VAL 17 5.057 2.415 14.046 117 HG11 VAL 17 HG11 VAL 17 6.289 0.850 16.042 118 HG12 VAL 17 HG12 VAL 17 6.331 2.524 16.599 119 HG13 VAL 17 HG13 VAL 17 4.795 1.779 16.156 120 HG21 VAL 17 HG21 VAL 17 7.787 3.515 14.660 121 HG22 VAL 17 HG22 VAL 17 6.616 4.089 13.473 122 HG23 VAL 17 HG23 VAL 17 6.303 4.304 15.196 123 HA PRO 18 HA PRO 18 5.341 -2.518 12.606 124 HB2 PRO 18 HB3 PRO 18 7.078 -4.375 13.559 125 HB3 PRO 18 HB2 PRO 18 7.301 -3.558 12.008 126 HG2 PRO 18 HG2 PRO 18 8.571 -2.975 14.655 127 HG3 PRO 18 HG3 PRO 18 9.311 -3.016 13.043 128 HD2 PRO 18 HD2 PRO 18 8.618 -0.704 14.269 129 HD3 PRO 18 HD3 PRO 18 8.559 -0.905 12.507 130 H HIS 19 H HIS 19 3.605 -2.869 13.845 131 HA HIS 19 HA HIS 19 4.038 -3.697 16.638 132 HB2 HIS 19 HB2 HIS 19 2.317 -1.563 15.555 133 HB3 HIS 19 HB3 HIS 19 1.529 -2.629 16.714 134 HD1 HIS 19 HD1 HIS 19 3.630 -3.066 18.797 135 HD2 HIS 19 HD2 HIS 19 3.035 0.619 16.973 136 HE1 HIS 19 HE1 HIS 19 4.578 -1.366 20.390 137 H CYS 20 H CYS 20 2.051 -4.854 17.524 138 HA CYS 20 HA CYS 20 1.188 -6.806 15.514 139 HB2 CYS 20 HB2 CYS 20 0.849 -7.090 18.492 140 HB3 CYS 20 HB3 CYS 20 0.893 -8.356 17.270 141 H PHE 21 H PHE 21 -0.991 -7.498 15.399 142 HA PHE 21 HA PHE 21 -3.037 -6.127 16.881 143 HB2 PHE 21 HB2 PHE 21 -2.182 -5.089 14.325 144 HB3 PHE 21 HB3 PHE 21 -3.859 -5.618 14.244 145 HD1 PHE 21 HD2 PHE 21 -5.217 -4.903 16.494 146 HD2 PHE 21 HD1 PHE 21 -1.874 -2.880 14.806 147 HE1 PHE 21 HE2 PHE 21 -5.928 -2.819 17.593 148 HE2 PHE 21 HE1 PHE 21 -2.579 -0.793 15.904 149 HZ PHE 21 HZ PHE 21 -4.608 -0.761 17.298 150 H LEU 22 H LEU 22 -5.220 -6.874 16.275 151 HA LEU 22 HA LEU 22 -5.106 -9.614 15.207 152 HB2 LEU 22 HB2 LEU 22 -6.243 -8.519 17.572 153 HB3 LEU 22 HB3 LEU 22 -7.553 -9.125 16.560 154 HG LEU 22 HG LEU 22 -5.687 -11.175 16.539 155 HD11 LEU 22 HD11 LEU 22 -4.847 -11.517 18.652 156 HD12 LEU 22 HD12 LEU 22 -6.030 -10.454 19.413 157 HD13 LEU 22 HD13 LEU 22 -4.689 -9.767 18.496 158 HD21 LEU 22 HD21 LEU 22 -8.305 -10.637 17.831 159 HD22 LEU 22 HD22 LEU 22 -7.411 -12.070 18.342 160 HD23 LEU 22 HD23 LEU 22 -7.854 -11.865 16.647 161 H ASN 23 H ASN 23 -6.029 -9.966 13.307 162 HA ASN 23 HA ASN 23 -8.018 -8.030 12.330 163 HB2 ASN 23 HB2 ASN 23 -5.727 -9.294 11.101 164 HB3 ASN 23 HB3 ASN 23 -7.190 -9.642 10.184 165 HD21 ASN 23 HD22 ASN 23 -6.364 -8.377 8.479 166 HD22 ASN 23 HD21 ASN 23 -6.421 -6.651 8.540 167 HA PRO 24 HA PRO 24 -11.143 -11.127 12.505 168 HB2 PRO 24 HB3 PRO 24 -12.860 -10.103 10.667 169 HB3 PRO 24 HB2 PRO 24 -12.648 -9.406 12.278 170 HG2 PRO 24 HG2 PRO 24 -11.464 -8.541 9.668 171 HG3 PRO 24 HG3 PRO 24 -12.158 -7.550 10.964 172 HD2 PRO 24 HD2 PRO 24 -9.488 -7.870 10.647 173 HD3 PRO 24 HD3 PRO 24 -10.241 -7.650 12.240 174 H GLU 25 H GLU 25 -9.479 -10.335 9.563 175 HA GLU 25 HA GLU 25 -10.463 -12.805 8.304 176 HB2 GLU 25 HB2 GLU 25 -10.412 -10.323 7.233 177 HB3 GLU 25 HB3 GLU 25 -8.836 -10.909 6.720 178 HG2 GLU 25 HG2 GLU 25 -10.867 -12.896 6.257 179 HG3 GLU 25 HG3 GLU 25 -11.292 -11.364 5.494 180 H LYS 26 H LYS 26 -7.888 -11.601 10.018 181 HA LYS 26 HA LYS 26 -6.126 -13.709 8.975 182 HB2 LYS 26 HB2 LYS 26 -5.095 -11.023 9.876 183 HB3 LYS 26 HB3 LYS 26 -4.205 -12.303 9.064 184 HG2 LYS 26 HG2 LYS 26 -6.320 -11.660 7.353 185 HG3 LYS 26 HG3 LYS 26 -5.692 -10.120 7.944 186 HD2 LYS 26 HD2 LYS 26 -4.503 -10.715 5.945 187 HD3 LYS 26 HD3 LYS 26 -3.407 -10.881 7.319 188 HE2 LYS 26 HE2 LYS 26 -3.623 -13.249 7.306 189 HE3 LYS 26 HE3 LYS 26 -4.961 -13.185 6.160 190 HZ1 LYS 26 HZ1 LYS 26 -2.313 -12.121 5.422 191 HZ2 LYS 26 HZ2 LYS 26 -3.554 -12.679 4.417 192 HZ3 LYS 26 HZ3 LYS 26 -2.628 -13.779 5.308 193 H GLY 27 H GLY 27 -5.924 -11.269 11.569 194 HA2 GLY 27 HA2 GLY 27 -6.441 -11.983 13.876 195 HA3 GLY 27 HA3 GLY 27 -5.652 -13.504 13.485 196 H ILE 28 H ILE 28 -3.879 -13.607 14.703 197 HA ILE 28 HA ILE 28 -2.425 -11.399 15.653 198 HB ILE 28 HB ILE 28 -2.206 -13.437 16.843 199 HG12 ILE 28 HG12 ILE 28 0.187 -13.708 16.999 200 HG13 ILE 28 HG13 ILE 28 0.410 -13.083 15.369 201 HG21 ILE 28 HG21 ILE 28 -1.994 -14.579 14.199 202 HG22 ILE 28 HG22 ILE 28 -0.736 -15.195 15.268 203 HG23 ILE 28 HG23 ILE 28 -2.432 -15.347 15.724 204 HD11 ILE 28 HD11 ILE 28 0.482 -10.996 16.100 205 HD12 ILE 28 HD12 ILE 28 -0.999 -11.197 17.035 206 HD13 ILE 28 HD13 ILE 28 0.554 -11.657 17.734 207 H VAL 29 H VAL 29 -1.764 -9.993 14.077 208 HA VAL 29 HA VAL 29 0.374 -10.973 12.317 209 HB VAL 29 HB VAL 29 -1.767 -9.029 11.443 210 HG11 VAL 29 HG11 VAL 29 0.169 -8.447 10.279 211 HG12 VAL 29 HG12 VAL 29 0.697 -10.125 10.131 212 HG13 VAL 29 HG13 VAL 29 -0.667 -9.541 9.177 213 HG21 VAL 29 HG21 VAL 29 -1.845 -11.231 9.773 214 HG22 VAL 29 HG22 VAL 29 -1.648 -11.929 11.380 215 HG23 VAL 29 HG23 VAL 29 -3.001 -10.847 11.048 216 H VAL 30 H VAL 30 2.020 -9.503 11.876 217 HA VAL 30 HA VAL 30 1.921 -6.980 13.398 218 HB VAL 30 HB VAL 30 4.408 -8.646 13.018 219 HG11 VAL 30 HG11 VAL 30 4.206 -6.731 15.230 220 HG12 VAL 30 HG12 VAL 30 5.529 -7.028 14.100 221 HG13 VAL 30 HG13 VAL 30 4.173 -6.005 13.623 222 HG21 VAL 30 HG21 VAL 30 3.027 -9.978 14.393 223 HG22 VAL 30 HG22 VAL 30 4.111 -9.124 15.491 224 HG23 VAL 30 HG23 VAL 30 2.445 -8.579 15.296 225 H VAL 31 H VAL 31 2.441 -5.191 12.301 226 HA VAL 31 HA VAL 31 4.134 -5.328 9.943 227 HB VAL 31 HB VAL 31 2.419 -3.944 8.644 228 HG11 VAL 31 HG11 VAL 31 1.623 -5.838 7.569 229 HG12 VAL 31 HG12 VAL 31 3.073 -6.437 8.377 230 HG13 VAL 31 HG13 VAL 31 1.481 -6.754 9.068 231 HG21 VAL 31 HG21 VAL 31 0.973 -3.646 10.717 232 HG22 VAL 31 HG22 VAL 31 0.141 -4.075 9.222 233 HG23 VAL 31 HG23 VAL 31 0.437 -5.305 10.450 234 H HIS 32 H HIS 32 4.839 -3.238 9.204 235 HA HIS 32 HA HIS 32 4.710 -1.216 11.334 236 HB2 HIS 32 HB2 HIS 32 6.795 -0.313 10.186 237 HB3 HIS 32 HB3 HIS 32 6.963 -1.869 10.995 238 HD1 HIS 32 HD1 HIS 32 6.326 -0.555 7.483 239 HD2 HIS 32 HD2 HIS 32 8.070 -3.782 9.432 240 HE1 HIS 32 HE1 HIS 32 7.385 -1.941 5.672 241 H GLY 33 H GLY 33 4.436 0.989 10.806 242 HA2 GLY 33 HA2 GLY 33 4.211 2.644 8.964 243 HA3 GLY 33 HA3 GLY 33 3.242 1.433 8.138 244 H GLY 34 H GLY 34 2.913 4.266 9.528 245 HA2 GLY 34 HA2 GLY 34 1.039 4.134 11.544 246 HA3 GLY 34 HA3 GLY 34 1.089 5.409 10.335 247 H CYS 35 H CYS 35 0.590 3.496 8.139 248 HA CYS 35 HA CYS 35 -2.210 3.717 8.030 249 HB2 CYS 35 HB2 CYS 35 -0.140 3.002 6.265 250 HB3 CYS 35 HB3 CYS 35 -1.238 1.625 6.295 251 H ALA 36 H ALA 36 -0.116 0.915 8.649 252 HA ALA 36 HA ALA 36 -2.176 -0.982 8.927 253 HB1 ALA 36 HB1 ALA 36 -0.279 -2.161 8.775 254 HB2 ALA 36 HB2 ALA 36 0.698 -0.862 9.460 255 HB3 ALA 36 HB3 ALA 36 -0.189 -1.955 10.524 256 H LEU 37 H LEU 37 -0.745 1.290 11.180 257 HA LEU 37 HA LEU 37 -1.985 0.147 13.502 258 HB2 LEU 37 HB2 LEU 37 0.138 1.490 13.491 259 HB3 LEU 37 HB3 LEU 37 -0.850 2.918 13.192 260 HG LEU 37 HG LEU 37 -2.055 2.311 15.371 261 HD11 LEU 37 HD11 LEU 37 -1.305 0.667 16.691 262 HD12 LEU 37 HD12 LEU 37 0.387 1.027 16.347 263 HD13 LEU 37 HD13 LEU 37 -0.551 0.042 15.223 264 HD21 LEU 37 HD21 LEU 37 -0.542 4.218 15.117 265 HD22 LEU 37 HD22 LEU 37 0.836 3.171 15.460 266 HD23 LEU 37 HD23 LEU 37 -0.377 3.468 16.706 267 H SER 38 H SER 38 -2.662 2.845 11.328 268 HA SER 38 HA SER 38 -4.889 3.825 12.814 269 HB2 SER 38 HB2 SER 38 -3.963 5.443 11.416 270 HB3 SER 38 HB3 SER 38 -3.794 4.323 10.065 271 HG SER 38 HG SER 38 -6.031 5.754 10.932 272 H LYS 39 H LYS 39 -4.470 1.491 10.240 273 HA LYS 39 HA LYS 39 -7.222 1.251 9.559 274 HB2 LYS 39 HB2 LYS 39 -4.791 -0.450 9.075 275 HB3 LYS 39 HB3 LYS 39 -6.393 -1.011 8.612 276 HG2 LYS 39 HG2 LYS 39 -6.675 0.920 7.167 277 HG3 LYS 39 HG3 LYS 39 -5.097 1.536 7.661 278 HD2 LYS 39 HD2 LYS 39 -4.579 -1.059 6.838 279 HD3 LYS 39 HD3 LYS 39 -5.771 -0.472 5.675 280 HE2 LYS 39 HE2 LYS 39 -4.327 1.582 5.420 281 HE3 LYS 39 HE3 LYS 39 -3.098 0.735 6.357 282 HZ1 LYS 39 HZ1 LYS 39 -2.598 0.375 4.096 283 HZ2 LYS 39 HZ2 LYS 39 -4.198 -0.019 3.711 284 HZ3 LYS 39 HZ3 LYS 39 -3.269 -1.076 4.650 285 H TYR 40 H TYR 40 -5.063 -0.913 11.402 286 HA TYR 40 HA TYR 40 -7.085 -2.656 12.273 287 HB2 TYR 40 HB2 TYR 40 -4.412 -2.025 13.540 288 HB3 TYR 40 HB3 TYR 40 -5.433 -3.391 13.972 289 HD1 TYR 40 HD1 TYR 40 -6.311 -3.945 11.045 290 HD2 TYR 40 HD2 TYR 40 -2.521 -3.359 12.888 291 HE1 TYR 40 HE1 TYR 40 -5.252 -5.296 9.284 292 HE2 TYR 40 HE2 TYR 40 -1.451 -4.707 11.131 293 HH TYR 40 HH TYR 40 -1.987 -6.365 9.501 294 H LYS 41 H LYS 41 -6.162 0.482 13.337 295 HA LYS 41 HA LYS 41 -7.343 0.250 15.959 296 HB2 LYS 41 HB2 LYS 41 -5.475 1.755 15.682 297 HB3 LYS 41 HB3 LYS 41 -6.310 2.624 14.402 298 HG2 LYS 41 HG2 LYS 41 -7.920 3.486 15.956 299 HG3 LYS 41 HG3 LYS 41 -7.260 2.490 17.255 300 HD2 LYS 41 HD2 LYS 41 -5.108 3.707 17.023 301 HD3 LYS 41 HD3 LYS 41 -5.871 4.757 15.827 302 HE2 LYS 41 HE2 LYS 41 -7.293 5.720 17.410 303 HE3 LYS 41 HE3 LYS 41 -7.051 4.408 18.562 304 HZ1 LYS 41 HZ1 LYS 41 -5.873 6.390 19.250 305 HZ2 LYS 41 HZ2 LYS 41 -5.023 6.436 17.788 306 HZ3 LYS 41 HZ3 LYS 41 -4.770 5.164 18.873 307 H CYS 42 H CYS 42 -8.359 1.153 12.778 308 HA CYS 42 HA CYS 42 -10.708 2.582 13.635 309 HB2 CYS 42 HB2 CYS 42 -10.561 3.348 11.541 310 HB3 CYS 42 HB3 CYS 42 -9.296 2.178 11.180 311 H GLN 43 H GLN 43 -9.978 -0.643 12.380 312 HA GLN 43 HA GLN 43 -12.676 -1.514 12.248 313 HB2 GLN 43 HB2 GLN 43 -11.571 -3.827 12.250 314 HB3 GLN 43 HB3 GLN 43 -11.171 -2.738 10.929 315 HG2 GLN 43 HG2 GLN 43 -9.024 -2.901 11.408 316 HG3 GLN 43 HG3 GLN 43 -9.319 -2.313 13.043 317 HE21 GLN 43 HE22 GLN 43 -9.179 -5.179 11.025 318 HE22 GLN 43 HE21 GLN 43 -8.861 -6.295 12.305 319 H ASN 44 H ASN 44 -10.127 -1.865 14.684 320 HA ASN 44 HA ASN 44 -12.202 -2.445 16.670 321 HB2 ASN 44 HB2 ASN 44 -9.687 -4.062 16.230 322 HB3 ASN 44 HB3 ASN 44 -10.658 -4.158 17.697 323 HD21 ASN 44 HD22 ASN 44 -12.277 -5.552 17.740 324 HD22 ASN 44 HD21 ASN 44 -12.940 -6.368 16.369 325 HA PRO 45 HA PRO 45 -9.275 0.860 18.064 326 HB2 PRO 45 HB3 PRO 45 -11.220 2.479 19.046 327 HB3 PRO 45 HB2 PRO 45 -10.714 2.504 17.353 328 HG2 PRO 45 HG2 PRO 45 -13.077 1.158 18.604 329 HG3 PRO 45 HG3 PRO 45 -12.985 2.079 17.091 330 HD2 PRO 45 HD2 PRO 45 -12.983 -0.628 17.152 331 HD3 PRO 45 HD3 PRO 45 -12.110 0.300 15.915 332 H ASN 46 H ASN 46 -11.442 -1.314 19.467 333 HA ASN 46 HA ASN 46 -10.712 -0.492 22.193 334 HB2 ASN 46 HB2 ASN 46 -12.557 -2.097 22.866 335 HB3 ASN 46 HB3 ASN 46 -13.080 -0.662 21.989 336 HD21 ASN 46 HD22 ASN 46 -12.895 -4.075 22.010 337 HD22 ASN 46 HD21 ASN 46 -13.714 -4.355 20.515 338 H HIS 47 H HIS 47 -10.096 -2.809 19.785 339 HA HIS 47 HA HIS 47 -9.565 -5.127 21.214 340 HB2 HIS 47 HB2 HIS 47 -8.880 -4.046 18.605 341 HB3 HIS 47 HB3 HIS 47 -7.576 -5.028 19.265 342 HD1 HIS 47 HD1 HIS 47 -11.162 -5.860 19.965 343 HD2 HIS 47 HD2 HIS 47 -8.059 -7.145 17.520 344 HE1 HIS 47 HE1 HIS 47 -11.944 -8.035 18.975 345 H GLU 48 H GLU 48 -7.348 -6.059 21.620 346 HA GLU 48 HA GLU 48 -5.757 -4.068 23.077 347 HB2 GLU 48 HB2 GLU 48 -6.784 -6.433 23.952 348 HB3 GLU 48 HB3 GLU 48 -5.165 -6.927 23.478 349 HG2 GLU 48 HG2 GLU 48 -4.807 -6.366 25.655 350 HG3 GLU 48 HG3 GLU 48 -4.448 -4.829 24.869 351 H LYS 49 H LYS 49 -4.280 -3.274 21.680 352 HA LYS 49 HA LYS 49 -2.975 -4.850 19.695 353 HB2 LYS 49 HB2 LYS 49 -3.320 -2.431 19.432 354 HB3 LYS 49 HB3 LYS 49 -2.253 -2.128 20.797 355 HG2 LYS 49 HG2 LYS 49 -0.566 -3.532 19.318 356 HG3 LYS 49 HG3 LYS 49 -1.605 -2.940 18.020 357 HD2 LYS 49 HD2 LYS 49 0.136 -1.353 18.247 358 HD3 LYS 49 HD3 LYS 49 -1.288 -0.627 18.995 359 HE2 LYS 49 HE2 LYS 49 -0.078 -2.012 21.064 360 HE3 LYS 49 HE3 LYS 49 1.277 -1.335 20.162 361 HZ1 LYS 49 HZ1 LYS 49 0.109 0.845 20.290 362 HZ2 LYS 49 HZ2 LYS 49 0.626 0.245 21.785 363 HZ3 LYS 49 HZ3 LYS 49 -1.005 0.140 21.350 364 H LEU 50 H LEU 50 -1.682 -6.469 20.323 365 HA LEU 50 HA LEU 50 -0.211 -6.549 22.720 366 HB2 LEU 50 HB2 LEU 50 0.353 -8.068 20.180 367 HB3 LEU 50 HB3 LEU 50 0.870 -8.503 21.808 368 HG LEU 50 HG LEU 50 -1.855 -8.409 22.072 369 HD11 LEU 50 HD11 LEU 50 -2.927 -8.808 20.170 370 HD12 LEU 50 HD12 LEU 50 -1.817 -10.110 19.745 371 HD13 LEU 50 HD13 LEU 50 -1.425 -8.444 19.320 372 HD21 LEU 50 HD21 LEU 50 -1.001 -10.244 23.055 373 HD22 LEU 50 HD22 LEU 50 0.219 -10.477 21.802 374 HD23 LEU 50 HD23 LEU 50 -1.435 -11.027 21.534 375 H GLY 51 H GLY 51 1.775 -5.855 23.266 376 HA2 GLY 51 HA2 GLY 51 3.553 -4.891 21.124 377 HA3 GLY 51 HA3 GLY 51 3.176 -3.846 22.485 378 H TYR 52 H TYR 52 3.260 -6.994 23.551 379 HA TYR 52 HA TYR 52 6.030 -7.477 23.779 380 HB2 TYR 52 HB2 TYR 52 5.244 -5.427 25.435 381 HB3 TYR 52 HB3 TYR 52 5.139 -6.827 26.496 382 HD1 TYR 52 HD1 TYR 52 7.193 -8.305 26.738 383 HD2 TYR 52 HD2 TYR 52 7.322 -4.455 24.933 384 HE1 TYR 52 HE1 TYR 52 9.627 -8.229 27.088 385 HE2 TYR 52 HE2 TYR 52 9.756 -4.368 25.278 386 HH TYR 52 HH TYR 52 11.583 -5.581 25.824 387 H THR 53 H THR 53 3.528 -8.851 23.262 388 HA THR 53 HA THR 53 3.393 -10.729 25.519 389 HB THR 53 HB THR 53 1.486 -11.042 23.280 390 HG1 THR 53 HG1 THR 53 1.548 -8.750 24.960 391 HG21 THR 53 HG21 THR 53 0.921 -12.420 25.015 392 HG22 THR 53 HG22 THR 53 -0.013 -10.996 25.470 393 HG23 THR 53 HG23 THR 53 1.541 -11.314 26.241 394 H HIS 54 H HIS 54 3.178 -13.042 24.980 395 HA HIS 54 HA HIS 54 5.318 -13.966 23.447 396 HB2 HIS 54 HB2 HIS 54 3.186 -15.122 25.021 397 HB3 HIS 54 HB3 HIS 54 3.479 -16.082 23.573 398 HD1 HIS 54 HD1 HIS 54 4.974 -15.144 26.839 399 HD2 HIS 54 HD2 HIS 54 6.042 -17.282 23.441 400 HE1 HIS 54 HE1 HIS 54 7.031 -16.440 27.479 401 H GLU 55 H GLU 55 2.140 -13.056 22.510 402 HA GLU 55 HA GLU 55 2.083 -14.578 20.071 403 HB2 GLU 55 HB2 GLU 55 0.389 -12.168 20.707 404 HB3 GLU 55 HB3 GLU 55 0.016 -13.497 19.619 405 HG2 GLU 55 HG2 GLU 55 0.396 -14.741 22.050 406 HG3 GLU 55 HG3 GLU 55 -0.432 -13.243 22.471 407 H CYS 56 H CYS 56 3.540 -11.682 21.081 408 HA CYS 56 HA CYS 56 3.597 -10.468 18.447 409 HB2 CYS 56 HB2 CYS 56 4.334 -9.665 21.190 410 HB3 CYS 56 HB3 CYS 56 5.366 -9.016 19.920 411 H GLU 57 H GLU 57 5.078 -13.056 19.595 412 HA GLU 57 HA GLU 57 7.813 -12.717 19.326 413 HB2 GLU 57 HB2 GLU 57 6.309 -14.817 19.933 414 HB3 GLU 57 HB3 GLU 57 6.575 -15.203 18.239 415 HG2 GLU 57 HG2 GLU 57 8.906 -14.515 19.959 416 HG3 GLU 57 HG3 GLU 57 8.177 -16.115 20.083 417 H GLU 58 H GLU 58 5.345 -13.027 16.862 418 HA GLU 58 HA GLU 58 7.101 -13.478 14.676 419 HB2 GLU 58 HB2 GLU 58 4.284 -12.391 14.781 420 HB3 GLU 58 HB3 GLU 58 5.135 -12.770 13.290 421 HG2 GLU 58 HG2 GLU 58 5.094 -15.052 13.693 422 HG3 GLU 58 HG3 GLU 58 4.808 -14.841 15.420 423 H ALA 59 H ALA 59 6.063 -10.646 16.387 424 HA ALA 59 HA ALA 59 6.576 -8.685 14.444 425 HB1 ALA 59 HB1 ALA 59 5.509 -8.584 16.872 426 HB2 ALA 59 HB2 ALA 59 7.141 -8.058 17.288 427 HB3 ALA 59 HB3 ALA 59 6.204 -7.162 16.092 428 H ILE 60 H ILE 60 8.693 -10.418 16.632 429 HA ILE 60 HA ILE 60 10.953 -8.841 16.618 430 HB ILE 60 HB ILE 60 10.869 -11.857 16.462 431 HG12 ILE 60 HG12 ILE 60 11.017 -10.047 18.881 432 HG13 ILE 60 HG13 ILE 60 9.555 -10.858 18.330 433 HG21 ILE 60 HG21 ILE 60 13.071 -11.627 17.692 434 HG22 ILE 60 HG22 ILE 60 13.081 -11.192 15.984 435 HG23 ILE 60 HG23 ILE 60 13.050 -9.930 17.215 436 HD11 ILE 60 HD11 ILE 60 10.140 -12.471 19.743 437 HD12 ILE 60 HD12 ILE 60 11.336 -12.923 18.528 438 HD13 ILE 60 HD13 ILE 60 11.796 -11.880 19.875 439 H LYS 61 H LYS 61 9.951 -11.240 14.203 440 HA LYS 61 HA LYS 61 12.224 -10.646 12.514 441 HB2 LYS 61 HB2 LYS 61 11.190 -12.285 10.968 442 HB3 LYS 61 HB3 LYS 61 11.432 -12.931 12.586 443 HG2 LYS 61 HG2 LYS 61 9.103 -12.678 13.099 444 HG3 LYS 61 HG3 LYS 61 8.816 -11.840 11.572 445 HD2 LYS 61 HD2 LYS 61 8.094 -14.006 11.129 446 HD3 LYS 61 HD3 LYS 61 9.736 -13.993 10.481 447 HE2 LYS 61 HE2 LYS 61 9.453 -16.018 11.713 448 HE3 LYS 61 HE3 LYS 61 10.513 -14.964 12.647 449 HZ1 LYS 61 HZ1 LYS 61 7.619 -14.943 13.171 450 HZ2 LYS 61 HZ2 LYS 61 8.900 -14.581 14.216 451 HZ3 LYS 61 HZ3 LYS 61 8.570 -16.189 13.808 452 H ASN 62 H ASN 62 8.804 -9.884 12.667 453 HA ASN 62 HA ASN 62 8.469 -8.833 10.093 454 HB2 ASN 62 HB2 ASN 62 6.953 -8.979 12.510 455 HB3 ASN 62 HB3 ASN 62 6.879 -7.325 11.909 456 HD21 ASN 62 HD22 ASN 62 5.392 -10.222 11.811 457 HD22 ASN 62 HD21 ASN 62 4.583 -10.094 10.290 458 H ALA 63 H ALA 63 9.651 -7.363 13.072 459 HA ALA 63 HA ALA 63 9.744 -4.700 12.126 460 HB1 ALA 63 HB1 ALA 63 11.764 -5.431 14.120 461 HB2 ALA 63 HB2 ALA 63 10.498 -4.204 14.179 462 HB3 ALA 63 HB3 ALA 63 10.114 -5.885 14.547 463 HA PRO 64 HA PRO 64 13.354 -4.519 9.638 464 HB2 PRO 64 HB3 PRO 64 14.460 -2.155 10.384 465 HB3 PRO 64 HB2 PRO 64 12.979 -2.263 9.425 466 HG2 PRO 64 HG2 PRO 64 13.302 -1.798 12.365 467 HG3 PRO 64 HG3 PRO 64 12.209 -1.000 11.220 468 HD2 PRO 64 HD2 PRO 64 11.388 -2.972 12.885 469 HD3 PRO 64 HD3 PRO 64 10.688 -2.732 11.271 470 H ARG 65 H ARG 65 14.634 -6.221 10.370 471 HA ARG 65 HA ARG 65 16.645 -5.518 12.406 472 HB2 ARG 65 HB2 ARG 65 16.861 -8.085 12.598 473 HB3 ARG 65 HB3 ARG 65 15.474 -7.303 13.344 474 HG2 ARG 65 HG2 ARG 65 14.006 -8.309 11.977 475 HG3 ARG 65 HG3 ARG 65 15.065 -8.175 10.571 476 HD2 ARG 65 HD2 ARG 65 16.457 -10.011 11.585 477 HD3 ARG 65 HD3 ARG 65 15.174 -10.223 12.775 478 HE ARG 65 HE ARG 65 13.921 -11.287 11.183 479 HH11 ARG 65 HH11 ARG 65 16.520 -9.569 9.629 480 HH12 ARG 65 HH12 ARG 65 16.211 -10.251 8.067 481 HH21 ARG 65 HH22 ARG 65 13.504 -12.192 9.131 482 HH22 ARG 65 HH21 ARG 65 14.495 -11.742 7.785 483 HA PRO 66 HA PRO 66 19.856 -6.074 9.469 484 HB2 PRO 66 HB3 PRO 66 21.809 -7.200 10.981 485 HB3 PRO 66 HB2 PRO 66 21.333 -5.505 11.134 486 HG2 PRO 66 HG2 PRO 66 20.545 -7.852 12.816 487 HG3 PRO 66 HG3 PRO 66 21.005 -6.216 13.323 488 HD2 PRO 66 HD2 PRO 66 18.425 -7.028 13.189 489 HD3 PRO 66 HD3 PRO 66 18.917 -5.352 12.870 Start of MODEL 7 1 H1 VAL 1 H1 VAL 1 -8.293 -10.880 1.329 2 HA VAL 1 HA VAL 1 -6.157 -8.937 0.751 3 HB VAL 1 HB VAL 1 -9.101 -8.486 0.243 4 HG11 VAL 1 HG11 VAL 1 -7.736 -6.510 -1.051 5 HG12 VAL 1 HG12 VAL 1 -8.498 -6.345 0.532 6 HG13 VAL 1 HG13 VAL 1 -6.777 -6.713 0.414 7 HG21 VAL 1 HG21 VAL 1 -8.426 -8.388 -2.142 8 HG22 VAL 1 HG22 VAL 1 -6.815 -8.932 -1.673 9 HG23 VAL 1 HG23 VAL 1 -8.209 -9.983 -1.423 10 HA PRO 2 HA PRO 2 -7.162 -8.298 5.120 11 HB2 PRO 2 HB3 PRO 2 -4.838 -7.012 5.682 12 HB3 PRO 2 HB2 PRO 2 -4.966 -8.773 5.600 13 HG2 PRO 2 HG2 PRO 2 -3.963 -6.849 3.538 14 HG3 PRO 2 HG3 PRO 2 -3.290 -8.415 4.028 15 HD2 PRO 2 HD2 PRO 2 -4.782 -8.107 1.789 16 HD3 PRO 2 HD3 PRO 2 -4.791 -9.603 2.745 17 H VAL 3 H VAL 3 -7.608 -6.428 6.367 18 HA VAL 3 HA VAL 3 -8.536 -4.360 6.641 19 HB VAL 3 HB VAL 3 -6.363 -3.319 4.840 20 HG11 VAL 3 HG11 VAL 3 -6.409 -1.586 6.800 21 HG12 VAL 3 HG12 VAL 3 -7.624 -1.520 5.523 22 HG13 VAL 3 HG13 VAL 3 -8.019 -2.250 7.080 23 HG21 VAL 3 HG21 VAL 3 -5.312 -4.950 6.297 24 HG22 VAL 3 HG22 VAL 3 -4.870 -3.318 6.797 25 HG23 VAL 3 HG23 VAL 3 -6.082 -4.221 7.707 26 H GLY 4 H GLY 4 -9.488 -5.927 4.367 27 HA2 GLY 4 HA2 GLY 4 -10.195 -3.773 2.480 28 HA3 GLY 4 HA3 GLY 4 -10.225 -5.489 2.101 29 H SER 5 H SER 5 -11.462 -4.348 5.138 30 HA SER 5 HA SER 5 -14.140 -3.906 4.388 31 HB2 SER 5 HB2 SER 5 -13.351 -6.687 4.610 32 HB3 SER 5 HB3 SER 5 -14.602 -6.287 5.787 33 HG SER 5 HG SER 5 -15.144 -6.924 3.448 34 H ASP 6 H ASP 6 -11.899 -5.044 6.847 35 HA ASP 6 HA ASP 6 -13.534 -4.383 9.080 36 HB2 ASP 6 HB2 ASP 6 -11.419 -4.608 10.382 37 HB3 ASP 6 HB3 ASP 6 -11.750 -5.991 9.343 38 H CYS 7 H CYS 7 -11.239 -2.620 7.124 39 HA CYS 7 HA CYS 7 -12.156 -0.118 8.179 40 HB2 CYS 7 HB2 CYS 7 -10.569 -0.620 9.932 41 HB3 CYS 7 HB3 CYS 7 -9.325 -1.011 8.750 42 H GLU 8 H GLU 8 -11.729 1.585 6.813 43 HA GLU 8 HA GLU 8 -10.309 0.886 4.330 44 HB2 GLU 8 HB2 GLU 8 -12.728 1.306 4.058 45 HB3 GLU 8 HB3 GLU 8 -12.514 2.914 4.735 46 HG2 GLU 8 HG2 GLU 8 -11.457 3.715 2.862 47 HG3 GLU 8 HG3 GLU 8 -10.916 2.117 2.353 48 HA PRO 9 HA PRO 9 -7.551 4.043 6.073 49 HB2 PRO 9 HB3 PRO 9 -5.405 3.275 4.598 50 HB3 PRO 9 HB2 PRO 9 -5.882 2.464 6.094 51 HG2 PRO 9 HG2 PRO 9 -6.416 1.672 3.257 52 HG3 PRO 9 HG3 PRO 9 -5.918 0.661 4.626 53 HD2 PRO 9 HD2 PRO 9 -8.482 0.787 3.764 54 HD3 PRO 9 HD3 PRO 9 -8.059 0.529 5.469 55 H LYS 10 H LYS 10 -7.527 6.059 5.321 56 HA LYS 10 HA LYS 10 -6.918 6.607 2.544 57 HB2 LYS 10 HB2 LYS 10 -9.606 6.465 3.354 58 HB3 LYS 10 HB3 LYS 10 -9.236 8.181 3.240 59 HG2 LYS 10 HG2 LYS 10 -9.107 8.134 1.005 60 HG3 LYS 10 HG3 LYS 10 -8.274 6.577 0.984 61 HD2 LYS 10 HD2 LYS 10 -10.353 6.171 -0.036 62 HD3 LYS 10 HD3 LYS 10 -10.523 5.551 1.608 63 HE2 LYS 10 HE2 LYS 10 -12.393 6.778 1.683 64 HE3 LYS 10 HE3 LYS 10 -11.312 8.156 1.883 65 HZ1 LYS 10 HZ1 LYS 10 -11.974 7.242 -0.828 66 HZ2 LYS 10 HZ2 LYS 10 -11.574 8.794 -0.286 67 HZ3 LYS 10 HZ3 LYS 10 -13.110 8.159 0.026 68 H LEU 11 H LEU 11 -5.975 7.129 5.387 69 HA LEU 11 HA LEU 11 -4.831 9.635 4.973 70 HB2 LEU 11 HB2 LEU 11 -6.084 10.820 6.883 71 HB3 LEU 11 HB3 LEU 11 -6.820 10.769 5.283 72 HG LEU 11 HG LEU 11 -7.691 8.529 6.878 73 HD11 LEU 11 HD11 LEU 11 -9.143 10.337 8.254 74 HD12 LEU 11 HD12 LEU 11 -7.585 11.159 8.192 75 HD13 LEU 11 HD13 LEU 11 -7.701 9.543 8.886 76 HD21 LEU 11 HD21 LEU 11 -9.902 9.923 6.411 77 HD22 LEU 11 HD22 LEU 11 -9.097 8.987 5.151 78 HD23 LEU 11 HD23 LEU 11 -8.841 10.729 5.254 79 H CYS 12 H CYS 12 -2.964 9.141 5.917 80 HA CYS 12 HA CYS 12 -2.832 8.766 8.755 81 HB2 CYS 12 HB2 CYS 12 -1.815 6.587 8.797 82 HB3 CYS 12 HB3 CYS 12 -3.345 6.457 7.935 83 H THR 13 H THR 13 -0.374 8.073 9.262 84 HA THR 13 HA THR 13 1.343 9.696 7.500 85 HB THR 13 HB THR 13 2.458 9.786 10.084 86 HG1 THR 13 HG1 THR 13 0.832 10.248 11.414 87 HG21 THR 13 HG21 THR 13 2.449 11.490 8.199 88 HG22 THR 13 HG22 THR 13 2.268 12.131 9.831 89 HG23 THR 13 HG23 THR 13 0.859 11.980 8.782 90 H MET 14 H MET 14 3.416 8.973 7.142 91 HA MET 14 HA MET 14 3.869 6.177 7.507 92 HB2 MET 14 HB2 MET 14 5.827 6.473 6.206 93 HB3 MET 14 HB3 MET 14 4.631 7.575 5.535 94 HG2 MET 14 HG2 MET 14 6.291 9.066 5.634 95 HG3 MET 14 HG3 MET 14 5.841 9.186 7.334 96 HE1 MET 14 HE1 MET 14 7.905 10.184 7.950 97 HE2 MET 14 HE2 MET 14 9.461 9.375 8.145 98 HE3 MET 14 HE3 MET 14 8.998 10.030 6.574 99 H ASP 15 H ASP 15 5.876 5.295 8.458 100 HA ASP 15 HA ASP 15 7.453 6.725 10.291 101 HB2 ASP 15 HB2 ASP 15 5.061 6.593 11.386 102 HB3 ASP 15 HB3 ASP 15 5.563 4.953 11.788 103 H LEU 16 H LEU 16 8.522 5.091 11.917 104 HA LEU 16 HA LEU 16 8.938 2.541 10.501 105 HB2 LEU 16 HB2 LEU 16 10.974 4.326 11.818 106 HB3 LEU 16 HB3 LEU 16 11.305 2.670 11.316 107 HG LEU 16 HG LEU 16 10.450 3.629 8.982 108 HD11 LEU 16 HD11 LEU 16 11.409 6.012 10.532 109 HD12 LEU 16 HD12 LEU 16 9.953 5.842 9.552 110 HD13 LEU 16 HD13 LEU 16 11.533 5.932 8.774 111 HD21 LEU 16 HD21 LEU 16 12.698 3.722 8.311 112 HD22 LEU 16 HD22 LEU 16 12.671 2.586 9.660 113 HD23 LEU 16 HD23 LEU 16 13.243 4.236 9.909 114 H VAL 17 H VAL 17 7.067 2.644 12.457 115 HA VAL 17 HA VAL 17 8.401 1.399 14.774 116 HB VAL 17 HB VAL 17 5.672 2.688 14.788 117 HG11 VAL 17 HG11 VAL 17 6.495 0.856 16.488 118 HG12 VAL 17 HG12 VAL 17 7.341 2.226 17.210 119 HG13 VAL 17 HG13 VAL 17 5.586 2.264 17.037 120 HG21 VAL 17 HG21 VAL 17 8.383 3.828 15.256 121 HG22 VAL 17 HG22 VAL 17 6.966 4.557 14.500 122 HG23 VAL 17 HG23 VAL 17 7.043 4.392 16.254 123 HA PRO 18 HA PRO 18 6.063 -1.985 12.721 124 HB2 PRO 18 HB3 PRO 18 7.857 -3.910 13.390 125 HB3 PRO 18 HB2 PRO 18 8.036 -2.884 11.961 126 HG2 PRO 18 HG2 PRO 18 9.336 -2.636 14.647 127 HG3 PRO 18 HG3 PRO 18 10.050 -2.438 13.036 128 HD2 PRO 18 HD2 PRO 18 9.323 -0.332 14.575 129 HD3 PRO 18 HD3 PRO 18 9.241 -0.292 12.802 130 H HIS 19 H HIS 19 4.351 -2.511 13.937 131 HA HIS 19 HA HIS 19 4.845 -3.800 16.533 132 HB2 HIS 19 HB2 HIS 19 3.232 -1.409 15.956 133 HB3 HIS 19 HB3 HIS 19 2.398 -2.632 16.909 134 HD1 HIS 19 HD1 HIS 19 3.916 -3.473 19.081 135 HD2 HIS 19 HD2 HIS 19 4.718 0.268 17.462 136 HE1 HIS 19 HE1 HIS 19 5.160 -2.218 20.871 137 H CYS 20 H CYS 20 2.743 -4.922 17.299 138 HA CYS 20 HA CYS 20 1.756 -6.494 15.029 139 HB2 CYS 20 HB2 CYS 20 1.412 -7.169 17.947 140 HB3 CYS 20 HB3 CYS 20 1.312 -8.250 16.561 141 H PHE 21 H PHE 21 -0.316 -6.463 14.411 142 HA PHE 21 HA PHE 21 -2.279 -5.162 16.177 143 HB2 PHE 21 HB2 PHE 21 -2.337 -4.872 13.179 144 HB3 PHE 21 HB3 PHE 21 -3.217 -3.937 14.384 145 HD1 PHE 21 HD2 PHE 21 0.044 -4.477 12.789 146 HD2 PHE 21 HD1 PHE 21 -2.199 -2.090 15.508 147 HE1 PHE 21 HE2 PHE 21 1.826 -2.781 12.764 148 HE2 PHE 21 HE1 PHE 21 -0.420 -0.389 15.486 149 HZ PHE 21 HZ PHE 21 1.596 -0.734 14.114 150 H LEU 22 H LEU 22 -4.505 -5.783 15.792 151 HA LEU 22 HA LEU 22 -4.693 -8.596 15.059 152 HB2 LEU 22 HB2 LEU 22 -5.832 -7.057 17.054 153 HB3 LEU 22 HB3 LEU 22 -7.156 -7.314 15.919 154 HG LEU 22 HG LEU 22 -5.634 -9.728 16.651 155 HD11 LEU 22 HD11 LEU 22 -6.635 -7.941 18.689 156 HD12 LEU 22 HD12 LEU 22 -5.694 -9.423 18.850 157 HD13 LEU 22 HD13 LEU 22 -7.452 -9.504 18.735 158 HD21 LEU 22 HD21 LEU 22 -8.536 -9.601 17.012 159 HD22 LEU 22 HD22 LEU 22 -7.552 -10.740 16.091 160 HD23 LEU 22 HD23 LEU 22 -7.989 -9.183 15.387 161 H ASN 23 H ASN 23 -5.352 -9.217 13.119 162 HA ASN 23 HA ASN 23 -7.019 -7.368 11.542 163 HB2 ASN 23 HB2 ASN 23 -5.236 -9.522 10.405 164 HB3 ASN 23 HB3 ASN 23 -5.999 -8.186 9.548 165 HD21 ASN 23 HD22 ASN 23 -3.530 -9.032 11.892 166 HD22 ASN 23 HD21 ASN 23 -2.556 -7.626 11.653 167 HA PRO 24 HA PRO 24 -9.942 -10.743 12.206 168 HB2 PRO 24 HB3 PRO 24 -12.105 -9.314 11.402 169 HB3 PRO 24 HB2 PRO 24 -11.406 -9.171 13.019 170 HG2 PRO 24 HG2 PRO 24 -11.037 -7.402 10.633 171 HG3 PRO 24 HG3 PRO 24 -11.290 -6.953 12.329 172 HD2 PRO 24 HD2 PRO 24 -8.845 -6.933 11.166 173 HD3 PRO 24 HD3 PRO 24 -9.082 -7.312 12.885 174 H GLU 25 H GLU 25 -8.876 -9.164 9.406 175 HA GLU 25 HA GLU 25 -10.641 -10.592 7.593 176 HB2 GLU 25 HB2 GLU 25 -9.902 -8.251 7.138 177 HB3 GLU 25 HB3 GLU 25 -8.259 -8.847 6.950 178 HG2 GLU 25 HG2 GLU 25 -9.604 -8.452 4.837 179 HG3 GLU 25 HG3 GLU 25 -8.774 -10.000 4.987 180 H LYS 26 H LYS 26 -7.872 -11.295 9.285 181 HA LYS 26 HA LYS 26 -7.431 -13.714 7.825 182 HB2 LYS 26 HB2 LYS 26 -4.850 -12.964 7.699 183 HB3 LYS 26 HB3 LYS 26 -5.974 -12.778 6.360 184 HG2 LYS 26 HG2 LYS 26 -6.086 -10.517 6.581 185 HG3 LYS 26 HG3 LYS 26 -5.789 -10.560 8.320 186 HD2 LYS 26 HD2 LYS 26 -3.881 -9.589 7.203 187 HD3 LYS 26 HD3 LYS 26 -3.433 -11.163 7.864 188 HE2 LYS 26 HE2 LYS 26 -3.619 -12.184 5.697 189 HE3 LYS 26 HE3 LYS 26 -4.264 -10.697 5.004 190 HZ1 LYS 26 HZ1 LYS 26 -1.950 -10.920 4.451 191 HZ2 LYS 26 HZ2 LYS 26 -1.525 -11.093 6.080 192 HZ3 LYS 26 HZ3 LYS 26 -2.135 -9.619 5.517 193 H GLY 27 H GLY 27 -5.347 -11.625 9.833 194 HA2 GLY 27 HA2 GLY 27 -5.778 -12.850 12.282 195 HA3 GLY 27 HA3 GLY 27 -4.519 -13.784 11.488 196 H ILE 28 H ILE 28 -3.752 -12.729 13.758 197 HA ILE 28 HA ILE 28 -2.924 -10.122 13.967 198 HB ILE 28 HB ILE 28 -2.628 -11.582 15.830 199 HG12 ILE 28 HG12 ILE 28 -0.802 -9.742 15.128 200 HG13 ILE 28 HG13 ILE 28 -0.687 -10.677 16.615 201 HG21 ILE 28 HG21 ILE 28 -2.273 -13.681 14.761 202 HG22 ILE 28 HG22 ILE 28 -0.760 -13.127 14.046 203 HG23 ILE 28 HG23 ILE 28 -0.873 -13.371 15.789 204 HD11 ILE 28 HD11 ILE 28 1.391 -10.454 15.131 205 HD12 ILE 28 HD12 ILE 28 0.980 -12.046 15.769 206 HD13 ILE 28 HD13 ILE 28 0.598 -11.641 14.095 207 H VAL 29 H VAL 29 -1.490 -8.857 12.975 208 HA VAL 29 HA VAL 29 0.704 -10.081 11.461 209 HB VAL 29 HB VAL 29 -1.082 -7.917 10.341 210 HG11 VAL 29 HG11 VAL 29 0.287 -8.631 8.233 211 HG12 VAL 29 HG12 VAL 29 0.970 -7.487 9.389 212 HG13 VAL 29 HG13 VAL 29 1.462 -9.180 9.427 213 HG21 VAL 29 HG21 VAL 29 -1.159 -10.081 8.630 214 HG22 VAL 29 HG22 VAL 29 -1.232 -10.817 10.231 215 HG23 VAL 29 HG23 VAL 29 -2.425 -9.606 9.763 216 H VAL 30 H VAL 30 2.549 -8.806 11.251 217 HA VAL 30 HA VAL 30 2.595 -6.424 12.984 218 HB VAL 30 HB VAL 30 4.983 -8.095 12.210 219 HG11 VAL 30 HG11 VAL 30 6.211 -6.774 13.573 220 HG12 VAL 30 HG12 VAL 30 4.941 -5.602 13.214 221 HG13 VAL 30 HG13 VAL 30 4.887 -6.532 14.712 222 HG21 VAL 30 HG21 VAL 30 4.744 -8.923 14.635 223 HG22 VAL 30 HG22 VAL 30 3.066 -8.399 14.495 224 HG23 VAL 30 HG23 VAL 30 3.697 -9.633 13.405 225 H VAL 31 H VAL 31 3.090 -4.513 12.119 226 HA VAL 31 HA VAL 31 4.693 -4.342 9.701 227 HB VAL 31 HB VAL 31 2.986 -2.775 8.656 228 HG11 VAL 31 HG11 VAL 31 1.824 -4.563 7.545 229 HG12 VAL 31 HG12 VAL 31 3.482 -5.077 7.863 230 HG13 VAL 31 HG13 VAL 31 2.165 -5.668 8.876 231 HG21 VAL 31 HG21 VAL 31 1.632 -2.614 10.781 232 HG22 VAL 31 HG22 VAL 31 0.711 -2.912 9.307 233 HG23 VAL 31 HG23 VAL 31 1.037 -4.235 10.427 234 H HIS 32 H HIS 32 5.449 -2.197 9.255 235 HA HIS 32 HA HIS 32 5.445 -0.498 11.653 236 HB2 HIS 32 HB2 HIS 32 7.576 0.300 11.014 237 HB3 HIS 32 HB3 HIS 32 7.626 -1.433 10.708 238 HD1 HIS 32 HD1 HIS 32 9.224 1.061 9.274 239 HD2 HIS 32 HD2 HIS 32 6.228 -1.351 7.703 240 HE1 HIS 32 HE1 HIS 32 9.503 1.182 6.778 241 H GLY 33 H GLY 33 5.219 1.769 11.459 242 HA2 GLY 33 HA2 GLY 33 4.934 3.701 9.963 243 HA3 GLY 33 HA3 GLY 33 3.997 2.647 8.916 244 H GLY 34 H GLY 34 3.523 5.208 10.629 245 HA2 GLY 34 HA2 GLY 34 1.678 4.746 12.630 246 HA3 GLY 34 HA3 GLY 34 1.661 6.157 11.583 247 H CYS 35 H CYS 35 1.249 4.449 9.184 248 HA CYS 35 HA CYS 35 -1.493 4.655 8.928 249 HB2 CYS 35 HB2 CYS 35 0.603 3.863 7.297 250 HB3 CYS 35 HB3 CYS 35 -0.408 2.425 7.389 251 H ALA 36 H ALA 36 0.422 1.829 9.885 252 HA ALA 36 HA ALA 36 -1.752 0.036 10.095 253 HB1 ALA 36 HB1 ALA 36 -0.231 -1.417 11.275 254 HB2 ALA 36 HB2 ALA 36 0.613 -0.661 9.924 255 HB3 ALA 36 HB3 ALA 36 0.877 -0.076 11.566 256 H LEU 37 H LEU 37 -0.423 2.426 12.258 257 HA LEU 37 HA LEU 37 -1.779 1.446 14.594 258 HB2 LEU 37 HB2 LEU 37 0.359 2.805 14.550 259 HB3 LEU 37 HB3 LEU 37 -0.649 4.203 14.181 260 HG LEU 37 HG LEU 37 -1.807 3.926 16.324 261 HD11 LEU 37 HD11 LEU 37 -0.202 1.449 16.386 262 HD12 LEU 37 HD12 LEU 37 -1.803 1.785 17.045 263 HD13 LEU 37 HD13 LEU 37 -0.363 2.324 17.909 264 HD21 LEU 37 HD21 LEU 37 1.174 4.212 16.278 265 HD22 LEU 37 HD22 LEU 37 0.274 4.338 17.790 266 HD23 LEU 37 HD23 LEU 37 -0.063 5.455 16.467 267 H SER 38 H SER 38 -2.295 4.055 12.257 268 HA SER 38 HA SER 38 -4.648 5.041 13.555 269 HB2 SER 38 HB2 SER 38 -3.070 6.328 11.981 270 HB3 SER 38 HB3 SER 38 -3.930 5.526 10.667 271 HG SER 38 HG SER 38 -5.343 7.055 10.892 272 H LYS 39 H LYS 39 -3.961 2.671 11.094 273 HA LYS 39 HA LYS 39 -6.696 2.438 10.216 274 HB2 LYS 39 HB2 LYS 39 -5.007 1.945 8.600 275 HB3 LYS 39 HB3 LYS 39 -4.213 0.809 9.683 276 HG2 LYS 39 HG2 LYS 39 -7.001 0.148 9.096 277 HG3 LYS 39 HG3 LYS 39 -5.936 0.136 7.688 278 HD2 LYS 39 HD2 LYS 39 -5.322 -1.304 10.264 279 HD3 LYS 39 HD3 LYS 39 -6.130 -2.059 8.888 280 HE2 LYS 39 HE2 LYS 39 -4.183 -1.516 7.481 281 HE3 LYS 39 HE3 LYS 39 -3.377 -0.824 8.887 282 HZ1 LYS 39 HZ1 LYS 39 -3.369 -3.474 8.064 283 HZ2 LYS 39 HZ2 LYS 39 -4.268 -3.427 9.496 284 HZ3 LYS 39 HZ3 LYS 39 -2.686 -2.829 9.470 285 H TYR 40 H TYR 40 -4.525 0.692 12.376 286 HA TYR 40 HA TYR 40 -6.149 -1.543 12.858 287 HB2 TYR 40 HB2 TYR 40 -3.896 -1.677 13.567 288 HB3 TYR 40 HB3 TYR 40 -4.014 -0.185 14.494 289 HD1 TYR 40 HD1 TYR 40 -5.939 -3.395 14.397 290 HD2 TYR 40 HD2 TYR 40 -3.849 -0.541 16.760 291 HE1 TYR 40 HE1 TYR 40 -6.455 -4.699 16.418 292 HE2 TYR 40 HE2 TYR 40 -4.358 -1.837 18.787 293 HH TYR 40 HH TYR 40 -5.470 -4.989 18.722 294 H LYS 41 H LYS 41 -5.770 1.422 14.804 295 HA LYS 41 HA LYS 41 -7.686 0.877 16.731 296 HB2 LYS 41 HB2 LYS 41 -6.316 3.266 15.718 297 HB3 LYS 41 HB3 LYS 41 -7.893 3.599 16.423 298 HG2 LYS 41 HG2 LYS 41 -7.200 2.458 18.481 299 HG3 LYS 41 HG3 LYS 41 -5.609 2.172 17.772 300 HD2 LYS 41 HD2 LYS 41 -5.184 4.537 17.646 301 HD3 LYS 41 HD3 LYS 41 -6.829 4.902 18.172 302 HE2 LYS 41 HE2 LYS 41 -5.322 3.153 19.983 303 HE3 LYS 41 HE3 LYS 41 -4.654 4.775 19.809 304 HZ1 LYS 41 HZ1 LYS 41 -6.639 5.737 20.565 305 HZ2 LYS 41 HZ2 LYS 41 -6.358 4.444 21.619 306 HZ3 LYS 41 HZ3 LYS 41 -7.516 4.300 20.396 307 H CYS 42 H CYS 42 -8.088 1.769 13.422 308 HA CYS 42 HA CYS 42 -10.803 2.681 13.688 309 HB2 CYS 42 HB2 CYS 42 -9.897 3.642 11.817 310 HB3 CYS 42 HB3 CYS 42 -8.891 2.243 11.454 311 H GLN 43 H GLN 43 -9.269 -0.219 12.298 312 HA GLN 43 HA GLN 43 -11.688 -1.566 11.751 313 HB2 GLN 43 HB2 GLN 43 -10.228 -3.604 11.618 314 HB3 GLN 43 HB3 GLN 43 -9.708 -2.261 10.609 315 HG2 GLN 43 HG2 GLN 43 -8.050 -1.651 12.327 316 HG3 GLN 43 HG3 GLN 43 -8.538 -3.064 13.262 317 HE21 GLN 43 HE22 GLN 43 -8.853 -4.915 11.241 318 HE22 GLN 43 HE21 GLN 43 -7.314 -5.248 10.530 319 H ASN 44 H ASN 44 -9.425 -1.774 14.480 320 HA ASN 44 HA ASN 44 -11.577 -3.026 16.049 321 HB2 ASN 44 HB2 ASN 44 -8.655 -3.705 16.388 322 HB3 ASN 44 HB3 ASN 44 -10.044 -4.522 17.099 323 HD21 ASN 44 HD22 ASN 44 -11.596 -5.453 15.480 324 HD22 ASN 44 HD21 ASN 44 -10.909 -6.239 14.103 325 HA PRO 45 HA PRO 45 -10.068 0.833 18.123 326 HB2 PRO 45 HB3 PRO 45 -12.549 1.722 18.776 327 HB3 PRO 45 HB2 PRO 45 -11.786 2.059 17.217 328 HG2 PRO 45 HG2 PRO 45 -13.818 -0.023 17.920 329 HG3 PRO 45 HG3 PRO 45 -13.744 1.032 16.497 330 HD2 PRO 45 HD2 PRO 45 -12.941 -1.554 16.437 331 HD3 PRO 45 HD3 PRO 45 -12.185 -0.296 15.438 332 H ASN 46 H ASN 46 -11.708 -1.995 18.976 333 HA ASN 46 HA ASN 46 -11.760 -1.276 21.825 334 HB2 ASN 46 HB2 ASN 46 -13.255 -3.135 22.158 335 HB3 ASN 46 HB3 ASN 46 -13.851 -2.192 20.794 336 HD21 ASN 46 HD22 ASN 46 -13.212 -5.235 21.880 337 HD22 ASN 46 HD21 ASN 46 -13.119 -6.063 20.367 338 H HIS 47 H HIS 47 -10.080 -3.124 19.490 339 HA HIS 47 HA HIS 47 -8.974 -5.037 21.341 340 HB2 HIS 47 HB2 HIS 47 -8.440 -4.379 18.451 341 HB3 HIS 47 HB3 HIS 47 -7.436 -5.521 19.340 342 HD1 HIS 47 HD1 HIS 47 -10.978 -5.647 20.275 343 HD2 HIS 47 HD2 HIS 47 -8.501 -7.456 17.473 344 HE1 HIS 47 HE1 HIS 47 -12.255 -7.646 19.440 345 H GLU 48 H GLU 48 -6.546 -5.257 21.498 346 HA GLU 48 HA GLU 48 -5.327 -2.594 21.832 347 HB2 GLU 48 HB2 GLU 48 -5.919 -4.146 23.893 348 HB3 GLU 48 HB3 GLU 48 -4.407 -4.927 23.452 349 HG2 GLU 48 HG2 GLU 48 -3.168 -2.948 23.816 350 HG3 GLU 48 HG3 GLU 48 -4.631 -1.971 23.927 351 H LYS 49 H LYS 49 -3.538 -2.221 20.708 352 HA LYS 49 HA LYS 49 -2.474 -4.068 18.882 353 HB2 LYS 49 HB2 LYS 49 -2.278 -1.653 18.569 354 HB3 LYS 49 HB3 LYS 49 -1.247 -1.535 19.989 355 HG2 LYS 49 HG2 LYS 49 0.360 -3.074 18.793 356 HG3 LYS 49 HG3 LYS 49 -0.620 -2.819 17.347 357 HD2 LYS 49 HD2 LYS 49 1.022 -1.202 17.122 358 HD3 LYS 49 HD3 LYS 49 -0.290 -0.298 17.881 359 HE2 LYS 49 HE2 LYS 49 1.724 -1.632 19.622 360 HE3 LYS 49 HE3 LYS 49 2.183 -0.151 18.784 361 HZ1 LYS 49 HZ1 LYS 49 -0.345 0.215 19.945 362 HZ2 LYS 49 HZ2 LYS 49 1.103 1.012 20.306 363 HZ3 LYS 49 HZ3 LYS 49 0.692 -0.408 21.128 364 H LEU 50 H LEU 50 -1.564 -5.919 19.536 365 HA LEU 50 HA LEU 50 -0.275 -6.405 21.947 366 HB2 LEU 50 HB2 LEU 50 0.015 -7.731 19.261 367 HB3 LEU 50 HB3 LEU 50 0.783 -8.341 20.726 368 HG LEU 50 HG LEU 50 -2.196 -7.996 20.448 369 HD11 LEU 50 HD11 LEU 50 -2.044 -9.661 18.946 370 HD12 LEU 50 HD12 LEU 50 -1.801 -10.668 20.373 371 HD13 LEU 50 HD13 LEU 50 -0.411 -10.106 19.445 372 HD21 LEU 50 HD21 LEU 50 -1.255 -10.043 22.239 373 HD22 LEU 50 HD22 LEU 50 -2.294 -8.656 22.566 374 HD23 LEU 50 HD23 LEU 50 -0.541 -8.483 22.647 375 H GLY 51 H GLY 51 1.742 -6.108 22.713 376 HA2 GLY 51 HA2 GLY 51 3.828 -5.225 20.831 377 HA3 GLY 51 HA3 GLY 51 3.488 -4.272 22.268 378 H TYR 52 H TYR 52 3.011 -7.490 22.971 379 HA TYR 52 HA TYR 52 5.681 -8.358 23.388 380 HB2 TYR 52 HB2 TYR 52 5.248 -6.485 25.155 381 HB3 TYR 52 HB3 TYR 52 4.295 -7.719 25.971 382 HD1 TYR 52 HD2 TYR 52 5.375 -9.714 26.897 383 HD2 TYR 52 HD1 TYR 52 7.654 -6.626 25.062 384 HE1 TYR 52 HE2 TYR 52 7.419 -10.625 27.917 385 HE2 TYR 52 HE1 TYR 52 9.705 -7.529 26.075 386 HH TYR 52 HH TYR 52 10.564 -9.539 27.013 387 H THR 53 H THR 53 4.156 -9.908 22.191 388 HA THR 53 HA THR 53 3.170 -11.857 24.154 389 HB THR 53 HB THR 53 1.658 -11.730 21.614 390 HG1 THR 53 HG1 THR 53 1.965 -9.475 22.522 391 HG21 THR 53 HG21 THR 53 0.958 -13.363 23.161 392 HG22 THR 53 HG22 THR 53 -0.225 -12.064 23.308 393 HG23 THR 53 HG23 THR 53 1.048 -12.238 24.516 394 H HIS 54 H HIS 54 3.066 -14.054 23.337 395 HA HIS 54 HA HIS 54 5.367 -14.836 21.965 396 HB2 HIS 54 HB2 HIS 54 2.880 -16.186 22.869 397 HB3 HIS 54 HB3 HIS 54 3.836 -17.018 21.646 398 HD1 HIS 54 HD1 HIS 54 4.879 -18.841 23.001 399 HD2 HIS 54 HD2 HIS 54 5.328 -15.104 24.761 400 HE1 HIS 54 HE1 HIS 54 6.422 -19.199 24.955 401 H GLU 55 H GLU 55 2.317 -13.780 20.783 402 HA GLU 55 HA GLU 55 2.544 -15.009 18.193 403 HB2 GLU 55 HB2 GLU 55 0.739 -12.807 19.207 404 HB3 GLU 55 HB3 GLU 55 0.614 -13.543 17.615 405 HG2 GLU 55 HG2 GLU 55 0.615 -15.655 19.467 406 HG3 GLU 55 HG3 GLU 55 -0.471 -14.423 20.106 407 H CYS 56 H CYS 56 3.876 -12.274 19.693 408 HA CYS 56 HA CYS 56 4.225 -10.757 17.245 409 HB2 CYS 56 HB2 CYS 56 4.892 -10.315 20.131 410 HB3 CYS 56 HB3 CYS 56 5.709 -9.358 18.900 411 H GLU 57 H GLU 57 5.575 -13.477 18.247 412 HA GLU 57 HA GLU 57 8.312 -13.171 18.351 413 HB2 GLU 57 HB2 GLU 57 6.762 -15.302 18.463 414 HB3 GLU 57 HB3 GLU 57 7.179 -15.433 16.760 415 HG2 GLU 57 HG2 GLU 57 9.341 -15.968 17.182 416 HG3 GLU 57 HG3 GLU 57 9.401 -15.028 18.671 417 H GLU 58 H GLU 58 6.220 -13.315 15.506 418 HA GLU 58 HA GLU 58 8.270 -13.357 13.572 419 HB2 GLU 58 HB2 GLU 58 5.378 -12.538 13.503 420 HB3 GLU 58 HB3 GLU 58 6.406 -12.355 12.089 421 HG2 GLU 58 HG2 GLU 58 6.959 -14.860 12.496 422 HG3 GLU 58 HG3 GLU 58 5.467 -14.844 13.434 423 H ALA 59 H ALA 59 6.760 -10.771 15.368 424 HA ALA 59 HA ALA 59 7.484 -8.574 13.815 425 HB1 ALA 59 HB1 ALA 59 6.113 -8.846 16.089 426 HB2 ALA 59 HB2 ALA 59 7.641 -8.266 16.754 427 HB3 ALA 59 HB3 ALA 59 6.779 -7.303 15.554 428 H ILE 60 H ILE 60 9.417 -10.653 15.782 429 HA ILE 60 HA ILE 60 11.566 -9.009 16.426 430 HB ILE 60 HB ILE 60 11.655 -11.936 15.687 431 HG12 ILE 60 HG12 ILE 60 11.455 -10.647 18.416 432 HG13 ILE 60 HG13 ILE 60 10.086 -11.323 17.541 433 HG21 ILE 60 HG21 ILE 60 13.870 -11.062 15.617 434 HG22 ILE 60 HG22 ILE 60 13.627 -10.169 17.118 435 HG23 ILE 60 HG23 ILE 60 13.695 -11.931 17.141 436 HD11 ILE 60 HD11 ILE 60 11.815 -13.409 17.506 437 HD12 ILE 60 HD12 ILE 60 12.204 -12.657 19.052 438 HD13 ILE 60 HD13 ILE 60 10.550 -13.167 18.711 439 H LYS 61 H LYS 61 10.989 -10.912 13.487 440 HA LYS 61 HA LYS 61 13.416 -9.937 12.249 441 HB2 LYS 61 HB2 LYS 61 12.601 -11.243 10.275 442 HB3 LYS 61 HB3 LYS 61 12.790 -12.194 11.743 443 HG2 LYS 61 HG2 LYS 61 10.434 -12.223 12.114 444 HG3 LYS 61 HG3 LYS 61 10.162 -11.065 10.810 445 HD2 LYS 61 HD2 LYS 61 9.630 -13.091 9.812 446 HD3 LYS 61 HD3 LYS 61 11.307 -12.847 9.318 447 HE2 LYS 61 HE2 LYS 61 10.775 -14.332 11.841 448 HE3 LYS 61 HE3 LYS 61 10.469 -15.150 10.310 449 HZ1 LYS 61 HZ1 LYS 61 12.651 -15.676 10.689 450 HZ2 LYS 61 HZ2 LYS 61 13.012 -14.198 11.429 451 HZ3 LYS 61 HZ3 LYS 61 12.837 -14.282 9.749 452 H ASN 62 H ASN 62 9.962 -9.324 12.087 453 HA ASN 62 HA ASN 62 9.965 -7.740 9.754 454 HB2 ASN 62 HB2 ASN 62 7.968 -8.769 11.030 455 HB3 ASN 62 HB3 ASN 62 8.050 -7.328 12.039 456 HD21 ASN 62 HD22 ASN 62 7.904 -8.326 8.646 457 HD22 ASN 62 HD21 ASN 62 6.910 -7.013 8.123 458 H ALA 63 H ALA 63 10.777 -7.064 13.067 459 HA ALA 63 HA ALA 63 10.871 -4.186 12.569 460 HB1 ALA 63 HB1 ALA 63 9.930 -4.533 14.647 461 HB2 ALA 63 HB2 ALA 63 11.000 -5.884 15.024 462 HB3 ALA 63 HB3 ALA 63 11.618 -4.233 15.060 463 HA PRO 64 HA PRO 64 15.208 -3.939 11.949 464 HB2 PRO 64 HB3 PRO 64 15.840 -1.649 13.262 465 HB3 PRO 64 HB2 PRO 64 14.945 -1.667 11.738 466 HG2 PRO 64 HG2 PRO 64 13.915 -1.394 14.536 467 HG3 PRO 64 HG3 PRO 64 13.441 -0.504 13.077 468 HD2 PRO 64 HD2 PRO 64 11.983 -2.559 14.068 469 HD3 PRO 64 HD3 PRO 64 12.075 -2.204 12.331 470 H ARG 65 H ARG 65 16.633 -5.270 12.866 471 HA ARG 65 HA ARG 65 16.671 -5.957 15.592 472 HB2 ARG 65 HB2 ARG 65 18.541 -6.395 13.294 473 HB3 ARG 65 HB3 ARG 65 19.056 -6.814 14.922 474 HG2 ARG 65 HG2 ARG 65 16.555 -7.858 13.612 475 HG3 ARG 65 HG3 ARG 65 18.101 -8.709 13.642 476 HD2 ARG 65 HD2 ARG 65 18.039 -8.658 16.111 477 HD3 ARG 65 HD3 ARG 65 16.452 -7.895 16.032 478 HE ARG 65 HE ARG 65 15.529 -9.934 15.534 479 HH11 ARG 65 HH11 ARG 65 18.987 -10.111 15.171 480 HH12 ARG 65 HH12 ARG 65 19.009 -11.831 14.966 481 HH21 ARG 65 HH22 ARG 65 15.544 -12.200 15.266 482 HH22 ARG 65 HH21 ARG 65 17.050 -13.018 15.020 483 HA PRO 66 HA PRO 66 19.106 -2.883 17.558 484 HB2 PRO 66 HB3 PRO 66 20.598 -4.351 19.287 485 HB3 PRO 66 HB2 PRO 66 18.865 -4.079 19.505 486 HG2 PRO 66 HG2 PRO 66 20.281 -6.460 18.372 487 HG3 PRO 66 HG3 PRO 66 18.913 -6.404 19.498 488 HD2 PRO 66 HD2 PRO 66 18.602 -6.889 16.852 489 HD3 PRO 66 HD3 PRO 66 17.381 -6.034 17.816 Start of MODEL 8 1 H1 VAL 1 H1 VAL 1 -2.287 -6.290 3.084 2 HA VAL 1 HA VAL 1 -2.325 -7.933 5.531 3 HB VAL 1 HB VAL 1 -3.209 -5.805 6.653 4 HG11 VAL 1 HG11 VAL 1 -1.153 -6.415 7.445 5 HG12 VAL 1 HG12 VAL 1 -0.405 -6.384 5.847 6 HG13 VAL 1 HG13 VAL 1 -0.741 -4.874 6.695 7 HG21 VAL 1 HG21 VAL 1 -1.686 -4.318 4.564 8 HG22 VAL 1 HG22 VAL 1 -3.377 -4.725 4.272 9 HG23 VAL 1 HG23 VAL 1 -2.934 -3.744 5.669 10 HA PRO 2 HA PRO 2 -6.611 -8.623 4.881 11 HB2 PRO 2 HB3 PRO 2 -7.542 -8.689 7.431 12 HB3 PRO 2 HB2 PRO 2 -6.557 -9.981 6.734 13 HG2 PRO 2 HG2 PRO 2 -5.733 -7.727 8.524 14 HG3 PRO 2 HG3 PRO 2 -5.259 -9.435 8.584 15 HD2 PRO 2 HD2 PRO 2 -3.672 -7.519 7.515 16 HD3 PRO 2 HD3 PRO 2 -3.691 -9.188 6.912 17 H VAL 3 H VAL 3 -8.152 -7.284 4.198 18 HA VAL 3 HA VAL 3 -8.996 -5.048 5.864 19 HB VAL 3 HB VAL 3 -9.007 -3.645 3.641 20 HG11 VAL 3 HG11 VAL 3 -6.424 -4.043 5.141 21 HG12 VAL 3 HG12 VAL 3 -6.980 -2.579 4.327 22 HG13 VAL 3 HG13 VAL 3 -7.807 -3.151 5.777 23 HG21 VAL 3 HG21 VAL 3 -7.394 -4.135 2.051 24 HG22 VAL 3 HG22 VAL 3 -6.499 -5.196 3.138 25 HG23 VAL 3 HG23 VAL 3 -8.030 -5.732 2.446 26 H GLY 4 H GLY 4 -9.983 -7.676 4.604 27 HA2 GLY 4 HA2 GLY 4 -12.009 -7.007 2.736 28 HA3 GLY 4 HA3 GLY 4 -11.919 -8.491 3.672 29 H SER 5 H SER 5 -12.924 -8.586 5.721 30 HA SER 5 HA SER 5 -15.139 -6.689 5.977 31 HB2 SER 5 HB2 SER 5 -15.523 -9.202 5.896 32 HB3 SER 5 HB3 SER 5 -14.782 -9.277 7.494 33 HG SER 5 HG SER 5 -17.205 -8.083 6.707 34 H ASP 6 H ASP 6 -12.658 -5.699 6.740 35 HA ASP 6 HA ASP 6 -13.019 -5.457 9.652 36 HB2 ASP 6 HB2 ASP 6 -10.529 -5.971 8.086 37 HB3 ASP 6 HB3 ASP 6 -10.419 -4.971 9.532 38 H CYS 7 H CYS 7 -10.848 -3.875 7.327 39 HA CYS 7 HA CYS 7 -12.332 -1.401 7.452 40 HB2 CYS 7 HB2 CYS 7 -10.823 -1.554 9.543 41 HB3 CYS 7 HB3 CYS 7 -9.486 -1.307 8.425 42 H GLU 8 H GLU 8 -11.396 0.271 6.056 43 HA GLU 8 HA GLU 8 -9.619 -0.857 3.995 44 HB2 GLU 8 HB2 GLU 8 -11.926 -0.770 3.170 45 HB3 GLU 8 HB3 GLU 8 -12.009 0.942 3.560 46 HG2 GLU 8 HG2 GLU 8 -11.555 1.078 1.342 47 HG3 GLU 8 HG3 GLU 8 -9.911 1.059 1.976 48 HA PRO 9 HA PRO 9 -7.112 2.683 4.816 49 HB2 PRO 9 HB3 PRO 9 -5.542 2.546 2.605 50 HB3 PRO 9 HB2 PRO 9 -5.370 1.443 3.975 51 HG2 PRO 9 HG2 PRO 9 -6.765 1.013 1.361 52 HG3 PRO 9 HG3 PRO 9 -5.707 -0.091 2.260 53 HD2 PRO 9 HD2 PRO 9 -8.407 -0.293 2.313 54 HD3 PRO 9 HD3 PRO 9 -7.390 -0.730 3.701 55 H LYS 10 H LYS 10 -8.100 4.610 4.633 56 HA LYS 10 HA LYS 10 -8.741 5.583 1.925 57 HB2 LYS 10 HB2 LYS 10 -10.618 5.213 3.707 58 HB3 LYS 10 HB3 LYS 10 -10.008 6.712 4.397 59 HG2 LYS 10 HG2 LYS 10 -10.299 7.676 2.033 60 HG3 LYS 10 HG3 LYS 10 -11.306 6.257 1.739 61 HD2 LYS 10 HD2 LYS 10 -12.901 6.910 3.297 62 HD3 LYS 10 HD3 LYS 10 -11.779 7.977 4.144 63 HE2 LYS 10 HE2 LYS 10 -11.966 9.650 2.546 64 HE3 LYS 10 HE3 LYS 10 -12.548 8.538 1.308 65 HZ1 LYS 10 HZ1 LYS 10 -14.036 10.077 3.169 66 HZ2 LYS 10 HZ2 LYS 10 -14.408 8.435 3.335 67 HZ3 LYS 10 HZ3 LYS 10 -14.583 9.194 1.834 68 H LEU 11 H LEU 11 -7.045 6.157 4.873 69 HA LEU 11 HA LEU 11 -5.352 8.091 3.784 70 HB2 LEU 11 HB2 LEU 11 -7.791 9.201 4.351 71 HB3 LEU 11 HB3 LEU 11 -6.872 9.547 5.814 72 HG LEU 11 HG LEU 11 -6.764 11.420 4.285 73 HD11 LEU 11 HD11 LEU 11 -4.647 11.836 4.840 74 HD12 LEU 11 HD12 LEU 11 -4.040 10.500 3.863 75 HD13 LEU 11 HD13 LEU 11 -4.615 10.202 5.503 76 HD21 LEU 11 HD21 LEU 11 -5.754 11.240 2.093 77 HD22 LEU 11 HD22 LEU 11 -7.138 10.152 2.206 78 HD23 LEU 11 HD23 LEU 11 -5.499 9.509 2.323 79 H CYS 12 H CYS 12 -3.545 7.809 4.896 80 HA CYS 12 HA CYS 12 -3.482 7.912 7.760 81 HB2 CYS 12 HB2 CYS 12 -2.413 5.648 8.008 82 HB3 CYS 12 HB3 CYS 12 -4.130 5.612 7.620 83 H THR 13 H THR 13 -1.114 7.188 8.471 84 HA THR 13 HA THR 13 0.761 8.327 6.501 85 HB THR 13 HB THR 13 1.895 8.786 9.005 86 HG1 THR 13 HG1 THR 13 -0.867 9.504 9.015 87 HG21 THR 13 HG21 THR 13 2.110 10.290 7.143 88 HG22 THR 13 HG22 THR 13 1.388 11.175 8.486 89 HG23 THR 13 HG23 THR 13 0.378 10.621 7.150 90 H MET 14 H MET 14 2.776 7.397 6.325 91 HA MET 14 HA MET 14 2.992 4.684 7.272 92 HB2 MET 14 HB2 MET 14 5.107 6.232 5.783 93 HB3 MET 14 HB3 MET 14 4.874 4.489 5.835 94 HG2 MET 14 HG2 MET 14 2.814 4.709 4.566 95 HG3 MET 14 HG3 MET 14 3.000 6.461 4.548 96 HE1 MET 14 HE1 MET 14 3.248 6.133 1.182 97 HE2 MET 14 HE2 MET 14 2.974 7.148 2.598 98 HE3 MET 14 HE3 MET 14 4.458 7.325 1.662 99 H ASP 15 H ASP 15 5.256 3.981 8.070 100 HA ASP 15 HA ASP 15 6.915 5.703 9.509 101 HB2 ASP 15 HB2 ASP 15 4.506 5.551 10.788 102 HB3 ASP 15 HB3 ASP 15 5.403 4.259 11.582 103 H LEU 16 H LEU 16 7.800 4.214 11.587 104 HA LEU 16 HA LEU 16 8.345 1.559 10.441 105 HB2 LEU 16 HB2 LEU 16 10.166 3.575 10.483 106 HB3 LEU 16 HB3 LEU 16 10.506 2.776 12.016 107 HG LEU 16 HG LEU 16 10.670 0.621 10.627 108 HD11 LEU 16 HD11 LEU 16 11.288 0.915 8.301 109 HD12 LEU 16 HD12 LEU 16 11.025 2.654 8.429 110 HD13 LEU 16 HD13 LEU 16 9.665 1.542 8.588 111 HD21 LEU 16 HD21 LEU 16 13.024 1.191 9.970 112 HD22 LEU 16 HD22 LEU 16 12.608 1.549 11.646 113 HD23 LEU 16 HD23 LEU 16 12.686 2.852 10.460 114 H VAL 17 H VAL 17 6.391 2.099 12.377 115 HA VAL 17 HA VAL 17 7.597 1.040 14.846 116 HB VAL 17 HB VAL 17 4.882 2.330 14.559 117 HG11 VAL 17 HG11 VAL 17 6.008 2.477 17.174 118 HG12 VAL 17 HG12 VAL 17 4.531 1.667 16.648 119 HG13 VAL 17 HG13 VAL 17 6.069 0.804 16.620 120 HG21 VAL 17 HG21 VAL 17 7.573 3.491 15.143 121 HG22 VAL 17 HG22 VAL 17 6.276 4.120 14.127 122 HG23 VAL 17 HG23 VAL 17 6.135 4.193 15.884 123 HA PRO 18 HA PRO 18 5.344 -2.563 13.084 124 HB2 PRO 18 HB3 PRO 18 7.112 -4.395 14.028 125 HB3 PRO 18 HB2 PRO 18 7.344 -3.533 12.502 126 HG2 PRO 18 HG2 PRO 18 8.543 -2.983 15.189 127 HG3 PRO 18 HG3 PRO 18 9.316 -2.963 13.594 128 HD2 PRO 18 HD2 PRO 18 8.533 -0.702 14.862 129 HD3 PRO 18 HD3 PRO 18 8.517 -0.860 13.094 130 H HIS 19 H HIS 19 3.589 -2.967 14.284 131 HA HIS 19 HA HIS 19 3.982 -3.995 17.007 132 HB2 HIS 19 HB2 HIS 19 2.406 -1.642 16.165 133 HB3 HIS 19 HB3 HIS 19 1.591 -2.739 17.277 134 HD1 HIS 19 HD1 HIS 19 2.935 0.261 17.705 135 HD2 HIS 19 HD2 HIS 19 4.156 -3.407 19.228 136 HE1 HIS 19 HE1 HIS 19 4.280 0.801 19.759 137 H CYS 20 H CYS 20 2.092 -5.219 17.811 138 HA CYS 20 HA CYS 20 0.906 -6.758 15.617 139 HB2 CYS 20 HB2 CYS 20 0.885 -7.485 18.545 140 HB3 CYS 20 HB3 CYS 20 0.619 -8.544 17.164 141 H PHE 21 H PHE 21 -1.294 -7.145 15.468 142 HA PHE 21 HA PHE 21 -3.067 -5.804 17.364 143 HB2 PHE 21 HB2 PHE 21 -2.959 -5.242 14.403 144 HB3 PHE 21 HB3 PHE 21 -4.382 -4.891 15.378 145 HD1 PHE 21 HD2 PHE 21 -3.748 -3.570 17.647 146 HD2 PHE 21 HD1 PHE 21 -1.546 -3.493 14.005 147 HE1 PHE 21 HE2 PHE 21 -2.774 -1.403 18.286 148 HE2 PHE 21 HE1 PHE 21 -0.569 -1.325 14.638 149 HZ PHE 21 HZ PHE 21 -1.183 -0.277 16.780 150 H LEU 22 H LEU 22 -5.342 -6.437 17.081 151 HA LEU 22 HA LEU 22 -5.505 -9.248 16.323 152 HB2 LEU 22 HB2 LEU 22 -6.650 -7.640 18.355 153 HB3 LEU 22 HB3 LEU 22 -7.966 -8.248 17.353 154 HG LEU 22 HG LEU 22 -6.060 -10.324 18.084 155 HD11 LEU 22 HD11 LEU 22 -7.062 -10.383 20.462 156 HD12 LEU 22 HD12 LEU 22 -7.338 -8.659 20.216 157 HD13 LEU 22 HD13 LEU 22 -5.701 -9.309 20.136 158 HD21 LEU 22 HD21 LEU 22 -8.527 -10.336 17.158 159 HD22 LEU 22 HD22 LEU 22 -8.927 -10.293 18.875 160 HD23 LEU 22 HD23 LEU 22 -7.945 -11.609 18.232 161 H ASN 23 H ASN 23 -6.208 -9.793 14.376 162 HA ASN 23 HA ASN 23 -8.124 -8.010 13.021 163 HB2 ASN 23 HB2 ASN 23 -5.720 -8.414 12.060 164 HB3 ASN 23 HB3 ASN 23 -6.395 -9.951 11.526 165 HD21 ASN 23 HD22 ASN 23 -6.742 -6.464 11.324 166 HD22 ASN 23 HD21 ASN 23 -7.561 -6.448 9.802 167 HA PRO 24 HA PRO 24 -10.725 -11.634 13.641 168 HB2 PRO 24 HB3 PRO 24 -13.029 -10.371 12.958 169 HB3 PRO 24 HB2 PRO 24 -12.284 -10.214 14.553 170 HG2 PRO 24 HG2 PRO 24 -12.153 -8.354 12.210 171 HG3 PRO 24 HG3 PRO 24 -12.379 -7.976 13.928 172 HD2 PRO 24 HD2 PRO 24 -9.989 -7.718 12.680 173 HD3 PRO 24 HD3 PRO 24 -10.129 -8.163 14.394 174 H GLU 25 H GLU 25 -9.856 -9.932 10.861 175 HA GLU 25 HA GLU 25 -11.628 -11.236 9.014 176 HB2 GLU 25 HB2 GLU 25 -9.921 -9.032 8.918 177 HB3 GLU 25 HB3 GLU 25 -9.185 -10.203 7.833 178 HG2 GLU 25 HG2 GLU 25 -12.069 -9.368 7.683 179 HG3 GLU 25 HG3 GLU 25 -10.774 -8.617 6.752 180 H LYS 26 H LYS 26 -8.184 -11.548 9.840 181 HA LYS 26 HA LYS 26 -8.265 -14.282 8.750 182 HB2 LYS 26 HB2 LYS 26 -6.014 -14.031 7.898 183 HB3 LYS 26 HB3 LYS 26 -7.033 -12.763 7.229 184 HG2 LYS 26 HG2 LYS 26 -6.136 -11.198 8.911 185 HG3 LYS 26 HG3 LYS 26 -5.062 -12.474 9.488 186 HD2 LYS 26 HD2 LYS 26 -5.104 -11.412 6.664 187 HD3 LYS 26 HD3 LYS 26 -3.970 -10.894 7.914 188 HE2 LYS 26 HE2 LYS 26 -3.592 -13.528 8.082 189 HE3 LYS 26 HE3 LYS 26 -4.110 -13.440 6.399 190 HZ1 LYS 26 HZ1 LYS 26 -1.598 -13.139 7.121 191 HZ2 LYS 26 HZ2 LYS 26 -2.087 -11.526 7.268 192 HZ3 LYS 26 HZ3 LYS 26 -2.253 -12.328 5.788 193 H GLY 27 H GLY 27 -6.767 -12.034 11.029 194 HA2 GLY 27 HA2 GLY 27 -6.798 -13.341 13.316 195 HA3 GLY 27 HA3 GLY 27 -5.553 -14.262 12.485 196 H ILE 28 H ILE 28 -4.649 -13.266 14.683 197 HA ILE 28 HA ILE 28 -3.872 -10.644 14.936 198 HB ILE 28 HB ILE 28 -3.428 -12.157 16.725 199 HG12 ILE 28 HG12 ILE 28 -1.691 -10.253 15.980 200 HG13 ILE 28 HG13 ILE 28 -1.457 -11.239 17.419 201 HG21 ILE 28 HG21 ILE 28 -1.637 -13.901 16.511 202 HG22 ILE 28 HG22 ILE 28 -3.098 -14.212 15.575 203 HG23 ILE 28 HG23 ILE 28 -1.650 -13.602 14.773 204 HD11 ILE 28 HD11 ILE 28 0.182 -12.531 16.417 205 HD12 ILE 28 HD12 ILE 28 -0.323 -12.086 14.787 206 HD13 ILE 28 HD13 ILE 28 0.510 -10.910 15.805 207 H VAL 29 H VAL 29 -2.503 -9.314 13.928 208 HA VAL 29 HA VAL 29 -0.400 -10.439 12.221 209 HB VAL 29 HB VAL 29 -2.259 -8.238 11.312 210 HG11 VAL 29 HG11 VAL 29 -0.270 -7.791 10.238 211 HG12 VAL 29 HG12 VAL 29 0.199 -9.491 10.170 212 HG13 VAL 29 HG13 VAL 29 -1.052 -8.876 9.089 213 HG21 VAL 29 HG21 VAL 29 -3.653 -9.908 10.794 214 HG22 VAL 29 HG22 VAL 29 -2.493 -10.320 9.531 215 HG23 VAL 29 HG23 VAL 29 -2.426 -11.140 11.091 216 H VAL 30 H VAL 30 1.407 -9.116 11.933 217 HA VAL 30 HA VAL 30 1.475 -6.685 13.599 218 HB VAL 30 HB VAL 30 2.712 -8.416 14.750 219 HG11 VAL 30 HG11 VAL 30 4.512 -8.660 12.353 220 HG12 VAL 30 HG12 VAL 30 4.476 -9.669 13.800 221 HG13 VAL 30 HG13 VAL 30 3.150 -9.743 12.639 222 HG21 VAL 30 HG21 VAL 30 3.803 -5.950 13.889 223 HG22 VAL 30 HG22 VAL 30 4.155 -6.846 15.367 224 HG23 VAL 30 HG23 VAL 30 5.113 -7.131 13.913 225 H VAL 31 H VAL 31 2.121 -4.897 12.590 226 HA VAL 31 HA VAL 31 3.951 -5.049 10.332 227 HB VAL 31 HB VAL 31 1.358 -3.555 9.994 228 HG11 VAL 31 HG11 VAL 31 3.781 -4.035 8.380 229 HG12 VAL 31 HG12 VAL 31 2.244 -4.110 7.518 230 HG13 VAL 31 HG13 VAL 31 2.688 -2.652 8.406 231 HG21 VAL 31 HG21 VAL 31 2.033 -6.333 9.029 232 HG22 VAL 31 HG22 VAL 31 0.795 -5.902 10.209 233 HG23 VAL 31 HG23 VAL 31 0.625 -5.397 8.528 234 H HIS 32 H HIS 32 4.799 -2.953 9.705 235 HA HIS 32 HA HIS 32 4.774 -1.073 11.963 236 HB2 HIS 32 HB2 HIS 32 6.908 -0.215 10.862 237 HB3 HIS 32 HB3 HIS 32 6.985 -1.823 11.577 238 HD1 HIS 32 HD1 HIS 32 7.251 -3.825 9.969 239 HD2 HIS 32 HD2 HIS 32 7.147 -0.130 8.072 240 HE1 HIS 32 HE1 HIS 32 8.017 -4.257 7.613 241 H GLY 33 H GLY 33 4.627 1.175 11.595 242 HA2 GLY 33 HA2 GLY 33 4.442 3.025 10.016 243 HA3 GLY 33 HA3 GLY 33 3.615 1.924 8.924 244 H GLY 34 H GLY 34 2.875 4.559 10.239 245 HA2 GLY 34 HA2 GLY 34 0.877 4.210 12.149 246 HA3 GLY 34 HA3 GLY 34 0.945 5.539 11.001 247 H CYS 35 H CYS 35 0.788 3.675 8.702 248 HA CYS 35 HA CYS 35 -1.974 3.751 8.280 249 HB2 CYS 35 HB2 CYS 35 0.349 2.509 6.906 250 HB3 CYS 35 HB3 CYS 35 -1.245 1.886 6.493 251 H ALA 36 H ALA 36 0.120 1.009 9.138 252 HA ALA 36 HA ALA 36 -1.920 -0.929 9.236 253 HB1 ALA 36 HB1 ALA 36 0.889 -0.746 10.063 254 HB2 ALA 36 HB2 ALA 36 -0.085 -1.886 10.992 255 HB3 ALA 36 HB3 ALA 36 0.028 -2.046 9.239 256 H LEU 37 H LEU 37 -0.876 1.484 11.511 257 HA LEU 37 HA LEU 37 -2.180 0.302 13.781 258 HB2 LEU 37 HB2 LEU 37 -0.212 1.787 13.969 259 HB3 LEU 37 HB3 LEU 37 -1.199 3.125 13.385 260 HG LEU 37 HG LEU 37 -2.473 1.940 15.656 261 HD11 LEU 37 HD11 LEU 37 0.209 3.009 16.403 262 HD12 LEU 37 HD12 LEU 37 0.033 1.303 15.992 263 HD13 LEU 37 HD13 LEU 37 -0.894 1.988 17.327 264 HD21 LEU 37 HD21 LEU 37 -2.931 4.173 15.020 265 HD22 LEU 37 HD22 LEU 37 -1.222 4.608 15.047 266 HD23 LEU 37 HD23 LEU 37 -2.067 4.263 16.556 267 H SER 38 H SER 38 -2.829 3.150 11.741 268 HA SER 38 HA SER 38 -5.263 3.865 12.921 269 HB2 SER 38 HB2 SER 38 -3.832 4.503 10.428 270 HB3 SER 38 HB3 SER 38 -5.584 4.674 10.327 271 HG SER 38 HG SER 38 -5.072 6.568 11.159 272 H LYS 39 H LYS 39 -4.660 1.925 9.995 273 HA LYS 39 HA LYS 39 -7.267 1.331 9.312 274 HB2 LYS 39 HB2 LYS 39 -4.706 -0.214 9.014 275 HB3 LYS 39 HB3 LYS 39 -6.232 -0.878 8.444 276 HG2 LYS 39 HG2 LYS 39 -6.451 0.694 6.777 277 HG3 LYS 39 HG3 LYS 39 -5.409 1.861 7.595 278 HD2 LYS 39 HD2 LYS 39 -3.986 1.146 5.952 279 HD3 LYS 39 HD3 LYS 39 -3.594 -0.020 7.218 280 HE2 LYS 39 HE2 LYS 39 -5.230 -1.587 6.198 281 HE3 LYS 39 HE3 LYS 39 -5.460 -0.434 4.884 282 HZ1 LYS 39 HZ1 LYS 39 -2.876 -1.713 5.597 283 HZ2 LYS 39 HZ2 LYS 39 -3.144 -0.659 4.301 284 HZ3 LYS 39 HZ3 LYS 39 -3.874 -2.184 4.315 285 H TYR 40 H TYR 40 -5.118 -0.664 11.344 286 HA TYR 40 HA TYR 40 -7.122 -2.511 12.083 287 HB2 TYR 40 HB2 TYR 40 -4.417 -1.821 13.194 288 HB3 TYR 40 HB3 TYR 40 -5.458 -2.978 14.016 289 HD1 TYR 40 HD2 TYR 40 -4.242 -2.299 10.541 290 HD2 TYR 40 HD1 TYR 40 -5.101 -5.200 13.534 291 HE1 TYR 40 HE2 TYR 40 -3.442 -4.076 9.041 292 HE2 TYR 40 HE1 TYR 40 -4.302 -6.984 12.042 293 HH TYR 40 HH TYR 40 -2.879 -6.244 8.890 294 H LYS 41 H LYS 41 -6.358 0.650 13.186 295 HA LYS 41 HA LYS 41 -7.621 0.372 15.765 296 HB2 LYS 41 HB2 LYS 41 -6.312 2.574 14.243 297 HB3 LYS 41 HB3 LYS 41 -7.446 3.018 15.512 298 HG2 LYS 41 HG2 LYS 41 -5.448 0.994 16.259 299 HG3 LYS 41 HG3 LYS 41 -4.815 2.604 15.908 300 HD2 LYS 41 HD2 LYS 41 -6.974 3.195 17.457 301 HD3 LYS 41 HD3 LYS 41 -6.448 1.663 18.159 302 HE2 LYS 41 HE2 LYS 41 -4.798 4.159 17.785 303 HE3 LYS 41 HE3 LYS 41 -5.354 3.470 19.310 304 HZ1 LYS 41 HZ1 LYS 41 -3.395 2.444 19.350 305 HZ2 LYS 41 HZ2 LYS 41 -3.070 2.778 17.723 306 HZ3 LYS 41 HZ3 LYS 41 -3.999 1.428 18.140 307 H CYS 42 H CYS 42 -8.568 1.218 12.548 308 HA CYS 42 HA CYS 42 -10.969 2.604 13.268 309 HB2 CYS 42 HB2 CYS 42 -10.623 3.241 11.141 310 HB3 CYS 42 HB3 CYS 42 -9.576 1.863 10.818 311 H GLN 43 H GLN 43 -10.252 -0.661 12.056 312 HA GLN 43 HA GLN 43 -12.893 -1.598 12.009 313 HB2 GLN 43 HB2 GLN 43 -11.742 -3.888 12.269 314 HB3 GLN 43 HB3 GLN 43 -11.351 -2.920 10.854 315 HG2 GLN 43 HG2 GLN 43 -9.207 -2.967 11.374 316 HG3 GLN 43 HG3 GLN 43 -9.545 -2.247 12.947 317 HE21 GLN 43 HE22 GLN 43 -8.979 -5.183 11.197 318 HE22 GLN 43 HE21 GLN 43 -8.770 -6.207 12.573 319 H ASN 44 H ASN 44 -10.427 -1.738 14.555 320 HA ASN 44 HA ASN 44 -12.566 -2.128 16.515 321 HB2 ASN 44 HB2 ASN 44 -10.078 -3.835 16.305 322 HB3 ASN 44 HB3 ASN 44 -11.141 -3.814 17.709 323 HD21 ASN 44 HD22 ASN 44 -13.607 -3.771 16.633 324 HD22 ASN 44 HD21 ASN 44 -13.889 -5.201 15.705 325 HA PRO 45 HA PRO 45 -9.605 1.196 17.755 326 HB2 PRO 45 HB3 PRO 45 -11.537 2.894 18.626 327 HB3 PRO 45 HB2 PRO 45 -11.019 2.812 16.937 328 HG2 PRO 45 HG2 PRO 45 -13.407 1.571 18.249 329 HG3 PRO 45 HG3 PRO 45 -13.294 2.399 16.685 330 HD2 PRO 45 HD2 PRO 45 -13.325 -0.300 16.906 331 HD3 PRO 45 HD3 PRO 45 -12.433 0.543 15.623 332 H ASN 46 H ASN 46 -11.825 -0.852 19.271 333 HA ASN 46 HA ASN 46 -11.037 0.090 21.945 334 HB2 ASN 46 HB2 ASN 46 -12.985 -1.380 22.701 335 HB3 ASN 46 HB3 ASN 46 -13.400 0.088 21.822 336 HD21 ASN 46 HD22 ASN 46 -14.322 -0.054 19.817 337 HD22 ASN 46 HD21 ASN 46 -14.877 -1.541 19.136 338 H HIS 47 H HIS 47 -9.586 -1.707 19.982 339 HA HIS 47 HA HIS 47 -9.526 -4.243 21.411 340 HB2 HIS 47 HB2 HIS 47 -8.133 -5.046 19.633 341 HB3 HIS 47 HB3 HIS 47 -9.445 -4.125 18.901 342 HD1 HIS 47 HD1 HIS 47 -7.735 -1.394 19.826 343 HD2 HIS 47 HD2 HIS 47 -6.676 -4.458 17.228 344 HE1 HIS 47 HE1 HIS 47 -5.979 -0.417 18.314 345 H GLU 48 H GLU 48 -7.334 -5.178 21.918 346 HA GLU 48 HA GLU 48 -5.683 -3.103 23.195 347 HB2 GLU 48 HB2 GLU 48 -6.894 -5.310 24.325 348 HB3 GLU 48 HB3 GLU 48 -5.241 -5.856 24.077 349 HG2 GLU 48 HG2 GLU 48 -4.389 -4.005 25.361 350 HG3 GLU 48 HG3 GLU 48 -6.011 -3.335 25.527 351 H LYS 49 H LYS 49 -3.912 -2.664 22.067 352 HA LYS 49 HA LYS 49 -2.806 -4.302 20.074 353 HB2 LYS 49 HB2 LYS 49 -2.465 -1.859 20.202 354 HB3 LYS 49 HB3 LYS 49 -1.468 -2.082 21.634 355 HG2 LYS 49 HG2 LYS 49 0.146 -3.355 20.322 356 HG3 LYS 49 HG3 LYS 49 -0.857 -3.150 18.884 357 HD2 LYS 49 HD2 LYS 49 0.736 -1.472 18.657 358 HD3 LYS 49 HD3 LYS 49 -0.635 -0.621 19.373 359 HE2 LYS 49 HE2 LYS 49 0.553 -1.278 21.623 360 HE3 LYS 49 HE3 LYS 49 1.976 -1.394 20.589 361 HZ1 LYS 49 HZ1 LYS 49 0.335 0.972 21.217 362 HZ2 LYS 49 HZ2 LYS 49 1.248 0.925 19.793 363 HZ3 LYS 49 HZ3 LYS 49 2.015 0.789 21.294 364 H LEU 50 H LEU 50 -1.941 -6.240 20.420 365 HA LEU 50 HA LEU 50 -0.938 -7.177 22.858 366 HB2 LEU 50 HB2 LEU 50 -0.776 -8.087 20.027 367 HB3 LEU 50 HB3 LEU 50 0.266 -8.855 21.223 368 HG LEU 50 HG LEU 50 -1.749 -10.162 20.854 369 HD11 LEU 50 HD11 LEU 50 -1.936 -10.729 23.018 370 HD12 LEU 50 HD12 LEU 50 -2.357 -9.092 23.520 371 HD13 LEU 50 HD13 LEU 50 -0.669 -9.525 23.254 372 HD21 LEU 50 HD21 LEU 50 -3.888 -9.367 20.981 373 HD22 LEU 50 HD22 LEU 50 -3.068 -7.933 20.366 374 HD23 LEU 50 HD23 LEU 50 -3.457 -8.058 22.082 375 H GLY 51 H GLY 51 1.105 -7.372 23.706 376 HA2 GLY 51 HA2 GLY 51 3.191 -5.785 22.343 377 HA3 GLY 51 HA3 GLY 51 3.029 -5.906 24.089 378 H TYR 52 H TYR 52 4.347 -7.276 25.079 379 HA TYR 52 HA TYR 52 6.073 -8.982 23.551 380 HB2 TYR 52 HB2 TYR 52 5.795 -8.279 26.447 381 HB3 TYR 52 HB3 TYR 52 6.751 -9.685 25.993 382 HD1 TYR 52 HD2 TYR 52 8.599 -9.289 24.208 383 HD2 TYR 52 HD1 TYR 52 6.779 -6.173 26.462 384 HE1 TYR 52 HE2 TYR 52 10.525 -7.834 23.741 385 HE2 TYR 52 HE1 TYR 52 8.700 -4.709 26.000 386 HH TYR 52 HH TYR 52 11.424 -5.408 25.314 387 H THR 53 H THR 53 4.048 -10.135 22.708 388 HA THR 53 HA THR 53 3.329 -12.349 24.515 389 HB THR 53 HB THR 53 1.528 -12.568 22.490 390 HG1 THR 53 HG1 THR 53 1.333 -10.723 21.487 391 HG21 THR 53 HG21 THR 53 -0.072 -11.893 24.043 392 HG22 THR 53 HG22 THR 53 0.986 -10.673 24.751 393 HG23 THR 53 HG23 THR 53 1.280 -12.384 25.061 394 H HIS 54 H HIS 54 3.293 -14.476 23.696 395 HA HIS 54 HA HIS 54 5.422 -15.178 22.031 396 HB2 HIS 54 HB2 HIS 54 3.191 -16.577 23.342 397 HB3 HIS 54 HB3 HIS 54 3.790 -17.370 21.888 398 HD1 HIS 54 HD1 HIS 54 5.691 -15.615 24.682 399 HD2 HIS 54 HD2 HIS 54 5.446 -19.306 22.790 400 HE1 HIS 54 HE1 HIS 54 7.501 -17.022 25.717 401 H GLU 55 H GLU 55 2.214 -14.205 21.269 402 HA GLU 55 HA GLU 55 2.131 -15.405 18.659 403 HB2 GLU 55 HB2 GLU 55 0.043 -14.312 18.383 404 HB3 GLU 55 HB3 GLU 55 0.111 -14.820 20.065 405 HG2 GLU 55 HG2 GLU 55 1.072 -12.387 20.397 406 HG3 GLU 55 HG3 GLU 55 0.189 -12.094 18.899 407 H CYS 56 H CYS 56 3.622 -12.676 19.991 408 HA CYS 56 HA CYS 56 3.617 -11.143 17.519 409 HB2 CYS 56 HB2 CYS 56 4.557 -10.661 20.317 410 HB3 CYS 56 HB3 CYS 56 5.254 -9.707 19.012 411 H GLU 57 H GLU 57 5.130 -13.822 18.322 412 HA GLU 57 HA GLU 57 7.862 -13.427 18.128 413 HB2 GLU 57 HB2 GLU 57 6.124 -15.622 18.102 414 HB3 GLU 57 HB3 GLU 57 7.052 -15.758 16.615 415 HG2 GLU 57 HG2 GLU 57 9.105 -15.811 17.796 416 HG3 GLU 57 HG3 GLU 57 8.320 -15.359 19.308 417 H GLU 58 H GLU 58 5.432 -13.515 15.588 418 HA GLU 58 HA GLU 58 7.239 -13.574 13.404 419 HB2 GLU 58 HB2 GLU 58 4.408 -12.517 13.493 420 HB3 GLU 58 HB3 GLU 58 5.312 -12.925 12.041 421 HG2 GLU 58 HG2 GLU 58 4.994 -15.039 14.089 422 HG3 GLU 58 HG3 GLU 58 3.572 -14.585 13.153 423 H ALA 59 H ALA 59 6.017 -11.040 15.440 424 HA ALA 59 HA ALA 59 6.441 -8.811 13.810 425 HB1 ALA 59 HB1 ALA 59 6.321 -7.502 15.767 426 HB2 ALA 59 HB2 ALA 59 5.284 -8.899 16.062 427 HB3 ALA 59 HB3 ALA 59 6.892 -8.827 16.782 428 H ILE 60 H ILE 60 8.679 -10.775 15.635 429 HA ILE 60 HA ILE 60 10.871 -9.119 15.864 430 HB ILE 60 HB ILE 60 10.904 -12.060 15.175 431 HG12 ILE 60 HG12 ILE 60 9.617 -11.584 17.204 432 HG13 ILE 60 HG13 ILE 60 11.129 -12.392 17.605 433 HG21 ILE 60 HG21 ILE 60 13.024 -10.136 16.008 434 HG22 ILE 60 HG22 ILE 60 13.125 -11.816 16.533 435 HG23 ILE 60 HG23 ILE 60 13.086 -11.431 14.813 436 HD11 ILE 60 HD11 ILE 60 11.782 -9.727 17.751 437 HD12 ILE 60 HD12 ILE 60 10.142 -9.784 18.395 438 HD13 ILE 60 HD13 ILE 60 11.406 -10.786 19.110 439 H LYS 61 H LYS 61 9.921 -11.105 13.079 440 HA LYS 61 HA LYS 61 12.119 -10.106 11.484 441 HB2 LYS 61 HB2 LYS 61 11.158 -11.511 9.699 442 HB3 LYS 61 HB3 LYS 61 11.416 -12.414 11.186 443 HG2 LYS 61 HG2 LYS 61 9.108 -12.437 11.686 444 HG3 LYS 61 HG3 LYS 61 8.755 -11.232 10.445 445 HD2 LYS 61 HD2 LYS 61 8.122 -13.142 9.348 446 HD3 LYS 61 HD3 LYS 61 9.814 -13.049 8.857 447 HE2 LYS 61 HE2 LYS 61 9.198 -14.507 11.364 448 HE3 LYS 61 HE3 LYS 61 8.720 -15.270 9.848 449 HZ1 LYS 61 HZ1 LYS 61 11.259 -15.186 11.006 450 HZ2 LYS 61 HZ2 LYS 61 11.332 -14.288 9.574 451 HZ3 LYS 61 HZ3 LYS 61 10.805 -15.895 9.539 452 H ASN 62 H ASN 62 8.720 -9.469 11.927 453 HA ASN 62 HA ASN 62 8.232 -8.041 9.551 454 HB2 ASN 62 HB2 ASN 62 6.765 -8.760 11.824 455 HB3 ASN 62 HB3 ASN 62 6.731 -6.999 11.802 456 HD21 ASN 62 HD22 ASN 62 6.211 -6.037 9.629 457 HD22 ASN 62 HD21 ASN 62 4.955 -6.801 8.722 458 H ALA 63 H ALA 63 9.732 -7.145 12.569 459 HA ALA 63 HA ALA 63 9.602 -4.326 12.197 460 HB1 ALA 63 HB1 ALA 63 9.984 -4.779 14.392 461 HB2 ALA 63 HB2 ALA 63 11.011 -6.170 14.043 462 HB3 ALA 63 HB3 ALA 63 11.652 -4.536 13.872 463 HA PRO 64 HA PRO 64 12.927 -3.492 9.459 464 HB2 PRO 64 HB3 PRO 64 14.055 -1.282 10.559 465 HB3 PRO 64 HB2 PRO 64 12.484 -1.257 9.750 466 HG2 PRO 64 HG2 PRO 64 13.107 -1.380 12.675 467 HG3 PRO 64 HG3 PRO 64 11.881 -0.415 11.832 468 HD2 PRO 64 HD2 PRO 64 11.284 -2.714 13.132 469 HD3 PRO 64 HD3 PRO 64 10.412 -2.184 11.679 470 H ARG 65 H ARG 65 14.315 -5.248 9.692 471 HA ARG 65 HA ARG 65 16.199 -5.365 11.874 472 HB2 ARG 65 HB2 ARG 65 15.505 -7.081 9.544 473 HB3 ARG 65 HB3 ARG 65 17.119 -7.249 10.222 474 HG2 ARG 65 HG2 ARG 65 15.760 -7.398 12.485 475 HG3 ARG 65 HG3 ARG 65 14.484 -7.940 11.392 476 HD2 ARG 65 HD2 ARG 65 16.944 -9.236 10.711 477 HD3 ARG 65 HD3 ARG 65 16.635 -9.434 12.436 478 HE ARG 65 HE ARG 65 14.848 -10.786 11.934 479 HH11 ARG 65 HH11 ARG 65 15.902 -9.132 9.057 480 HH12 ARG 65 HH12 ARG 65 14.900 -10.065 7.996 481 HH21 ARG 65 HH22 ARG 65 13.524 -12.021 10.547 482 HH22 ARG 65 HH21 ARG 65 13.547 -11.708 8.844 483 HA PRO 66 HA PRO 66 19.617 -3.276 10.087 484 HB2 PRO 66 HB3 PRO 66 21.712 -4.837 10.825 485 HB3 PRO 66 HB2 PRO 66 20.817 -3.827 11.967 486 HG2 PRO 66 HG2 PRO 66 20.562 -6.761 11.429 487 HG3 PRO 66 HG3 PRO 66 20.570 -5.905 12.982 488 HD2 PRO 66 HD2 PRO 66 18.288 -6.755 11.798 489 HD3 PRO 66 HD3 PRO 66 18.357 -5.288 12.796 Start of MODEL 9 1 H1 VAL 1 H1 VAL 1 -3.103 -7.092 1.968 2 HA VAL 1 HA VAL 1 -3.236 -4.195 2.504 3 HB VAL 1 HB VAL 1 -5.388 -5.871 1.203 4 HG11 VAL 1 HG11 VAL 1 -6.051 -3.296 0.724 5 HG12 VAL 1 HG12 VAL 1 -6.671 -4.239 2.081 6 HG13 VAL 1 HG13 VAL 1 -5.305 -3.146 2.315 7 HG21 VAL 1 HG21 VAL 1 -4.127 -5.610 -0.634 8 HG22 VAL 1 HG22 VAL 1 -4.688 -3.939 -0.596 9 HG23 VAL 1 HG23 VAL 1 -3.129 -4.362 0.111 10 HA PRO 2 HA PRO 2 -4.635 -6.041 6.396 11 HB2 PRO 2 HB3 PRO 2 -4.230 -3.786 7.852 12 HB3 PRO 2 HB2 PRO 2 -2.930 -4.909 7.440 13 HG2 PRO 2 HG2 PRO 2 -3.678 -2.318 6.140 14 HG3 PRO 2 HG3 PRO 2 -2.068 -2.944 6.542 15 HD2 PRO 2 HD2 PRO 2 -3.094 -3.063 4.039 16 HD3 PRO 2 HD3 PRO 2 -1.992 -4.299 4.679 17 H VAL 3 H VAL 3 -6.734 -6.201 6.840 18 HA VAL 3 HA VAL 3 -8.398 -4.029 7.469 19 HB VAL 3 HB VAL 3 -8.374 -3.550 5.083 20 HG11 VAL 3 HG11 VAL 3 -9.604 -6.257 4.619 21 HG12 VAL 3 HG12 VAL 3 -9.061 -5.087 3.415 22 HG13 VAL 3 HG13 VAL 3 -7.883 -5.934 4.418 23 HG21 VAL 3 HG21 VAL 3 -11.066 -4.673 5.215 24 HG22 VAL 3 HG22 VAL 3 -10.598 -3.786 6.666 25 HG23 VAL 3 HG23 VAL 3 -10.543 -2.993 5.091 26 H GLY 4 H GLY 4 -9.900 -4.811 8.798 27 HA2 GLY 4 HA2 GLY 4 -10.396 -7.692 8.801 28 HA3 GLY 4 HA3 GLY 4 -10.811 -6.566 10.084 29 H SER 5 H SER 5 -11.609 -5.836 6.783 30 HA SER 5 HA SER 5 -13.595 -5.581 5.703 31 HB2 SER 5 HB2 SER 5 -13.588 -8.134 6.333 32 HB3 SER 5 HB3 SER 5 -14.874 -7.658 7.443 33 HG SER 5 HG SER 5 -16.000 -6.804 5.646 34 H ASP 6 H ASP 6 -13.023 -4.337 8.438 35 HA ASP 6 HA ASP 6 -15.730 -3.278 8.817 36 HB2 ASP 6 HB2 ASP 6 -14.962 -5.064 10.575 37 HB3 ASP 6 HB3 ASP 6 -14.001 -3.737 11.221 38 H CYS 7 H CYS 7 -12.822 -2.557 7.826 39 HA CYS 7 HA CYS 7 -13.010 0.207 8.695 40 HB2 CYS 7 HB2 CYS 7 -11.550 -0.821 10.390 41 HB3 CYS 7 HB3 CYS 7 -10.487 -1.410 9.116 42 H GLU 8 H GLU 8 -12.346 1.621 7.160 43 HA GLU 8 HA GLU 8 -10.960 0.513 4.809 44 HB2 GLU 8 HB2 GLU 8 -13.278 0.836 4.214 45 HB3 GLU 8 HB3 GLU 8 -13.260 2.469 4.864 46 HG2 GLU 8 HG2 GLU 8 -11.550 3.048 3.135 47 HG3 GLU 8 HG3 GLU 8 -11.825 1.458 2.425 48 HA PRO 9 HA PRO 9 -8.042 3.746 5.524 49 HB2 PRO 9 HB3 PRO 9 -6.806 3.679 3.108 50 HB3 PRO 9 HB2 PRO 9 -6.557 2.445 4.348 51 HG2 PRO 9 HG2 PRO 9 -8.327 2.375 1.935 52 HG3 PRO 9 HG3 PRO 9 -7.269 1.108 2.584 53 HD2 PRO 9 HD2 PRO 9 -9.943 1.129 3.006 54 HD3 PRO 9 HD3 PRO 9 -8.794 0.484 4.195 55 H LYS 10 H LYS 10 -8.783 5.778 5.620 56 HA LYS 10 HA LYS 10 -9.736 7.031 3.128 57 HB2 LYS 10 HB2 LYS 10 -11.363 6.700 5.126 58 HB3 LYS 10 HB3 LYS 10 -10.476 8.028 5.863 59 HG2 LYS 10 HG2 LYS 10 -11.398 9.568 4.514 60 HG3 LYS 10 HG3 LYS 10 -11.380 8.502 3.107 61 HD2 LYS 10 HD2 LYS 10 -13.240 7.249 4.564 62 HD3 LYS 10 HD3 LYS 10 -13.463 8.888 5.180 63 HE2 LYS 10 HE2 LYS 10 -13.209 8.895 2.309 64 HE3 LYS 10 HE3 LYS 10 -14.495 7.802 2.819 65 HZ1 LYS 10 HZ1 LYS 10 -14.557 10.592 2.681 66 HZ2 LYS 10 HZ2 LYS 10 -14.690 10.164 4.313 67 HZ3 LYS 10 HZ3 LYS 10 -15.786 9.544 3.184 68 H LEU 11 H LEU 11 -7.476 7.123 5.699 69 HA LEU 11 HA LEU 11 -5.840 9.037 4.495 70 HB2 LEU 11 HB2 LEU 11 -7.995 10.227 5.773 71 HB3 LEU 11 HB3 LEU 11 -6.672 10.380 6.927 72 HG LEU 11 HG LEU 11 -6.036 11.171 4.160 73 HD11 LEU 11 HD11 LEU 11 -8.419 11.954 4.580 74 HD12 LEU 11 HD12 LEU 11 -7.238 13.185 4.136 75 HD13 LEU 11 HD13 LEU 11 -7.736 13.008 5.818 76 HD21 LEU 11 HD21 LEU 11 -4.320 11.802 5.470 77 HD22 LEU 11 HD22 LEU 11 -5.312 11.852 6.927 78 HD23 LEU 11 HD23 LEU 11 -5.335 13.207 5.799 79 H CYS 12 H CYS 12 -3.892 8.441 5.151 80 HA CYS 12 HA CYS 12 -3.238 8.182 7.931 81 HB2 CYS 12 HB2 CYS 12 -2.355 5.802 7.611 82 HB3 CYS 12 HB3 CYS 12 -4.097 5.989 7.786 83 H THR 13 H THR 13 -0.872 7.125 8.015 84 HA THR 13 HA THR 13 0.679 8.500 5.920 85 HB THR 13 HB THR 13 2.524 8.489 7.721 86 HG1 THR 13 HG1 THR 13 1.968 7.832 9.656 87 HG21 THR 13 HG21 THR 13 0.930 10.414 6.915 88 HG22 THR 13 HG22 THR 13 1.954 10.637 8.332 89 HG23 THR 13 HG23 THR 13 0.247 10.242 8.531 90 H MET 14 H MET 14 2.434 7.478 4.998 91 HA MET 14 HA MET 14 2.407 4.591 5.145 92 HB2 MET 14 HB2 MET 14 4.043 4.717 3.299 93 HB3 MET 14 HB3 MET 14 2.583 5.638 2.964 94 HG2 MET 14 HG2 MET 14 3.734 7.509 2.700 95 HG3 MET 14 HG3 MET 14 4.560 7.291 4.240 96 HE1 MET 14 HE1 MET 14 6.625 8.557 3.170 97 HE2 MET 14 HE2 MET 14 7.073 7.264 4.284 98 HE3 MET 14 HE3 MET 14 7.956 7.469 2.771 99 H ASP 15 H ASP 15 3.141 5.247 7.565 100 HA ASP 15 HA ASP 15 5.842 5.814 8.056 101 HB2 ASP 15 HB2 ASP 15 3.657 5.496 9.628 102 HB3 ASP 15 HB3 ASP 15 4.500 3.983 9.951 103 H LEU 16 H LEU 16 6.894 3.859 9.626 104 HA LEU 16 HA LEU 16 6.987 1.409 8.040 105 HB2 LEU 16 HB2 LEU 16 8.808 3.286 7.494 106 HB3 LEU 16 HB3 LEU 16 9.608 2.518 8.863 107 HG LEU 16 HG LEU 16 9.084 0.331 7.438 108 HD11 LEU 16 HD11 LEU 16 9.484 2.426 5.313 109 HD12 LEU 16 HD12 LEU 16 7.931 1.677 5.681 110 HD13 LEU 16 HD13 LEU 16 9.267 0.691 5.087 111 HD21 LEU 16 HD21 LEU 16 11.389 1.224 6.209 112 HD22 LEU 16 HD22 LEU 16 11.289 0.386 7.758 113 HD23 LEU 16 HD23 LEU 16 11.333 2.149 7.711 114 H VAL 17 H VAL 17 5.850 1.839 10.564 115 HA VAL 17 HA VAL 17 7.764 0.608 12.423 116 HB VAL 17 HB VAL 17 5.060 1.781 13.078 117 HG11 VAL 17 HG11 VAL 17 5.463 1.298 15.245 118 HG12 VAL 17 HG12 VAL 17 6.514 0.058 14.558 119 HG13 VAL 17 HG13 VAL 17 7.195 1.592 15.100 120 HG21 VAL 17 HG21 VAL 17 7.510 3.105 12.417 121 HG22 VAL 17 HG22 VAL 17 5.954 3.802 12.864 122 HG23 VAL 17 HG23 VAL 17 7.127 3.388 14.114 123 HA PRO 18 HA PRO 18 5.398 -3.103 11.321 124 HB2 PRO 18 HB3 PRO 18 7.296 -4.827 12.212 125 HB3 PRO 18 HB2 PRO 18 7.371 -4.053 10.625 126 HG2 PRO 18 HG2 PRO 18 8.776 -3.312 13.162 127 HG3 PRO 18 HG3 PRO 18 9.410 -3.367 11.507 128 HD2 PRO 18 HD2 PRO 18 8.667 -1.055 12.706 129 HD3 PRO 18 HD3 PRO 18 8.506 -1.319 10.958 130 H HIS 19 H HIS 19 3.789 -3.620 12.659 131 HA HIS 19 HA HIS 19 4.438 -4.414 15.405 132 HB2 HIS 19 HB2 HIS 19 2.776 -2.141 14.581 133 HB3 HIS 19 HB3 HIS 19 1.981 -3.225 15.719 134 HD1 HIS 19 HD1 HIS 19 3.459 -0.212 15.988 135 HD2 HIS 19 HD2 HIS 19 4.423 -3.850 17.748 136 HE1 HIS 19 HE1 HIS 19 4.787 0.367 18.044 137 H CYS 20 H CYS 20 2.615 -5.612 16.442 138 HA CYS 20 HA CYS 20 1.368 -7.364 14.449 139 HB2 CYS 20 HB2 CYS 20 2.863 -8.147 16.465 140 HB3 CYS 20 HB3 CYS 20 1.374 -7.953 17.385 141 H PHE 21 H PHE 21 -0.800 -7.631 14.290 142 HA PHE 21 HA PHE 21 -2.534 -6.353 16.272 143 HB2 PHE 21 HB2 PHE 21 -3.009 -5.945 13.324 144 HB3 PHE 21 HB3 PHE 21 -3.769 -5.112 14.676 145 HD1 PHE 21 HD1 PHE 21 -0.700 -5.418 12.679 146 HD2 PHE 21 HD2 PHE 21 -2.729 -3.240 15.722 147 HE1 PHE 21 HE1 PHE 21 0.975 -3.625 12.507 148 HE2 PHE 21 HE2 PHE 21 -1.057 -1.443 15.555 149 HZ PHE 21 HZ PHE 21 0.798 -1.633 13.945 150 H LEU 22 H LEU 22 -4.823 -6.999 16.022 151 HA LEU 22 HA LEU 22 -4.984 -9.775 15.070 152 HB2 LEU 22 HB2 LEU 22 -5.750 -8.532 17.483 153 HB3 LEU 22 HB3 LEU 22 -7.236 -8.995 16.655 154 HG LEU 22 HG LEU 22 -6.380 -11.319 16.520 155 HD11 LEU 22 HD11 LEU 22 -4.152 -10.215 18.223 156 HD12 LEU 22 HD12 LEU 22 -4.008 -10.906 16.607 157 HD13 LEU 22 HD13 LEU 22 -4.474 -11.930 17.965 158 HD21 LEU 22 HD21 LEU 22 -6.783 -11.862 18.844 159 HD22 LEU 22 HD22 LEU 22 -7.881 -10.582 18.328 160 HD23 LEU 22 HD23 LEU 22 -6.473 -10.191 19.316 161 H ASN 23 H ASN 23 -6.141 -10.194 13.316 162 HA ASN 23 HA ASN 23 -8.146 -8.217 12.453 163 HB2 ASN 23 HB2 ASN 23 -5.957 -9.243 11.063 164 HB3 ASN 23 HB3 ASN 23 -7.339 -10.113 10.402 165 HD21 ASN 23 HD22 ASN 23 -6.842 -8.984 8.432 166 HD22 ASN 23 HD21 ASN 23 -7.413 -7.370 8.202 167 HA PRO 24 HA PRO 24 -11.267 -11.266 13.089 168 HB2 PRO 24 HB3 PRO 24 -13.204 -10.183 11.525 169 HB3 PRO 24 HB2 PRO 24 -12.754 -9.514 13.098 170 HG2 PRO 24 HG2 PRO 24 -11.931 -8.630 10.359 171 HG3 PRO 24 HG3 PRO 24 -12.416 -7.647 11.752 172 HD2 PRO 24 HD2 PRO 24 -9.825 -8.011 11.058 173 HD3 PRO 24 HD3 PRO 24 -10.341 -7.802 12.743 174 H GLU 25 H GLU 25 -9.855 -10.570 10.039 175 HA GLU 25 HA GLU 25 -11.175 -12.898 8.818 176 HB2 GLU 25 HB2 GLU 25 -10.332 -11.976 6.660 177 HB3 GLU 25 HB3 GLU 25 -11.462 -10.916 7.491 178 HG2 GLU 25 HG2 GLU 25 -9.978 -9.276 7.599 179 HG3 GLU 25 HG3 GLU 25 -8.739 -10.345 8.253 180 H LYS 26 H LYS 26 -8.374 -12.001 10.356 181 HA LYS 26 HA LYS 26 -6.963 -14.324 9.274 182 HB2 LYS 26 HB2 LYS 26 -5.431 -11.792 9.773 183 HB3 LYS 26 HB3 LYS 26 -4.965 -13.197 8.823 184 HG2 LYS 26 HG2 LYS 26 -7.031 -12.456 7.359 185 HG3 LYS 26 HG3 LYS 26 -6.679 -10.888 8.088 186 HD2 LYS 26 HD2 LYS 26 -5.093 -10.605 6.553 187 HD3 LYS 26 HD3 LYS 26 -4.201 -11.932 7.302 188 HE2 LYS 26 HE2 LYS 26 -6.389 -12.609 5.408 189 HE3 LYS 26 HE3 LYS 26 -4.889 -11.966 4.741 190 HZ1 LYS 26 HZ1 LYS 26 -3.805 -13.756 6.229 191 HZ2 LYS 26 HZ2 LYS 26 -4.505 -14.220 4.760 192 HZ3 LYS 26 HZ3 LYS 26 -5.336 -14.476 6.211 193 H GLY 27 H GLY 27 -6.195 -11.668 11.532 194 HA2 GLY 27 HA2 GLY 27 -6.474 -12.116 13.951 195 HA3 GLY 27 HA3 GLY 27 -5.835 -13.721 13.628 196 H ILE 28 H ILE 28 -3.815 -13.974 14.275 197 HA ILE 28 HA ILE 28 -2.150 -11.862 15.089 198 HB ILE 28 HB ILE 28 -1.802 -14.030 16.036 199 HG12 ILE 28 HG12 ILE 28 0.522 -13.284 14.248 200 HG13 ILE 28 HG13 ILE 28 0.195 -12.635 15.851 201 HG21 ILE 28 HG21 ILE 28 -2.149 -14.924 13.374 202 HG22 ILE 28 HG22 ILE 28 -0.567 -15.478 13.921 203 HG23 ILE 28 HG23 ILE 28 -2.012 -15.889 14.844 204 HD11 ILE 28 HD11 ILE 28 0.404 -15.022 16.686 205 HD12 ILE 28 HD12 ILE 28 1.085 -15.396 15.103 206 HD13 ILE 28 HD13 ILE 28 1.883 -14.223 16.152 207 H VAL 29 H VAL 29 -1.828 -10.351 13.486 208 HA VAL 29 HA VAL 29 -0.099 -11.223 11.270 209 HB VAL 29 HB VAL 29 -2.302 -9.165 11.053 210 HG11 VAL 29 HG11 VAL 29 -0.271 -10.163 9.063 211 HG12 VAL 29 HG12 VAL 29 -1.704 -9.230 8.624 212 HG13 VAL 29 HG13 VAL 29 -0.470 -8.517 9.665 213 HG21 VAL 29 HG21 VAL 29 -3.267 -10.798 9.422 214 HG22 VAL 29 HG22 VAL 29 -2.068 -11.969 9.973 215 HG23 VAL 29 HG23 VAL 29 -3.277 -11.349 11.097 216 H VAL 30 H VAL 30 1.738 -10.110 11.099 217 HA VAL 30 HA VAL 30 1.934 -7.524 12.504 218 HB VAL 30 HB VAL 30 3.268 -9.127 13.690 219 HG11 VAL 30 HG11 VAL 30 5.274 -9.854 11.831 220 HG12 VAL 30 HG12 VAL 30 4.124 -10.901 12.666 221 HG13 VAL 30 HG13 VAL 30 3.712 -10.212 11.095 222 HG21 VAL 30 HG21 VAL 30 5.487 -8.121 13.500 223 HG22 VAL 30 HG22 VAL 30 5.039 -7.415 11.948 224 HG23 VAL 30 HG23 VAL 30 4.224 -6.893 13.422 225 H VAL 31 H VAL 31 2.363 -5.837 11.254 226 HA VAL 31 HA VAL 31 4.105 -6.104 8.946 227 HB VAL 31 HB VAL 31 2.471 -4.899 7.467 228 HG11 VAL 31 HG11 VAL 31 1.536 -6.863 6.658 229 HG12 VAL 31 HG12 VAL 31 2.934 -7.443 7.566 230 HG13 VAL 31 HG13 VAL 31 1.320 -7.544 8.271 231 HG21 VAL 31 HG21 VAL 31 0.502 -5.714 9.604 232 HG22 VAL 31 HG22 VAL 31 0.982 -4.063 9.211 233 HG23 VAL 31 HG23 VAL 31 0.094 -5.027 8.032 234 H HIS 32 H HIS 32 4.633 -3.981 7.982 235 HA HIS 32 HA HIS 32 4.587 -1.889 10.050 236 HB2 HIS 32 HB2 HIS 32 6.558 -0.969 8.694 237 HB3 HIS 32 HB3 HIS 32 6.835 -2.445 9.614 238 HD1 HIS 32 HD1 HIS 32 7.427 -4.544 8.315 239 HD2 HIS 32 HD2 HIS 32 6.429 -1.335 5.873 240 HE1 HIS 32 HE1 HIS 32 8.054 -5.252 5.984 241 H GLY 33 H GLY 33 4.207 0.284 9.461 242 HA2 GLY 33 HA2 GLY 33 3.857 1.751 7.402 243 HA3 GLY 33 HA3 GLY 33 2.657 0.544 6.965 244 H GLY 34 H GLY 34 3.036 3.523 8.282 245 HA2 GLY 34 HA2 GLY 34 1.451 3.687 10.524 246 HA3 GLY 34 HA3 GLY 34 1.540 4.944 9.299 247 H CYS 35 H CYS 35 0.431 3.233 7.201 248 HA CYS 35 HA CYS 35 -2.315 3.815 7.616 249 HB2 CYS 35 HB2 CYS 35 -0.736 2.442 5.476 250 HB3 CYS 35 HB3 CYS 35 -2.490 2.295 5.473 251 H ALA 36 H ALA 36 -0.440 0.811 7.641 252 HA ALA 36 HA ALA 36 -2.633 -0.932 8.016 253 HB1 ALA 36 HB1 ALA 36 -0.948 -2.584 8.692 254 HB2 ALA 36 HB2 ALA 36 -0.489 -1.738 7.214 255 HB3 ALA 36 HB3 ALA 36 0.268 -1.308 8.748 256 H LEU 37 H LEU 37 -0.683 0.961 10.217 257 HA LEU 37 HA LEU 37 -1.608 -0.359 12.589 258 HB2 LEU 37 HB2 LEU 37 0.561 0.789 12.472 259 HB3 LEU 37 HB3 LEU 37 -0.276 2.325 12.254 260 HG LEU 37 HG LEU 37 -1.273 1.165 14.632 261 HD11 LEU 37 HD11 LEU 37 1.587 0.641 14.168 262 HD12 LEU 37 HD12 LEU 37 0.442 -0.160 15.243 263 HD13 LEU 37 HD13 LEU 37 1.180 1.369 15.722 264 HD21 LEU 37 HD21 LEU 37 -1.020 3.572 14.013 265 HD22 LEU 37 HD22 LEU 37 0.709 3.413 14.323 266 HD23 LEU 37 HD23 LEU 37 -0.448 3.171 15.633 267 H SER 38 H SER 38 -2.335 2.725 10.986 268 HA SER 38 HA SER 38 -4.204 3.667 12.846 269 HB2 SER 38 HB2 SER 38 -3.216 4.469 10.298 270 HB3 SER 38 HB3 SER 38 -4.978 4.512 10.230 271 HG SER 38 HG SER 38 -3.742 5.588 12.487 272 H LYS 39 H LYS 39 -4.672 1.780 9.874 273 HA LYS 39 HA LYS 39 -7.467 1.626 9.981 274 HB2 LYS 39 HB2 LYS 39 -5.300 0.159 8.601 275 HB3 LYS 39 HB3 LYS 39 -6.824 -0.703 8.761 276 HG2 LYS 39 HG2 LYS 39 -6.644 0.517 6.640 277 HG3 LYS 39 HG3 LYS 39 -7.998 1.074 7.627 278 HD2 LYS 39 HD2 LYS 39 -5.477 2.510 8.080 279 HD3 LYS 39 HD3 LYS 39 -6.151 2.700 6.460 280 HE2 LYS 39 HE2 LYS 39 -8.368 3.186 7.676 281 HE3 LYS 39 HE3 LYS 39 -7.365 3.422 9.107 282 HZ1 LYS 39 HZ1 LYS 39 -6.463 4.824 6.743 283 HZ2 LYS 39 HZ2 LYS 39 -6.590 5.363 8.341 284 HZ3 LYS 39 HZ3 LYS 39 -7.955 5.347 7.344 285 H TYR 40 H TYR 40 -5.020 -0.693 11.132 286 HA TYR 40 HA TYR 40 -6.745 -2.602 12.177 287 HB2 TYR 40 HB2 TYR 40 -3.920 -1.909 12.468 288 HB3 TYR 40 HB3 TYR 40 -4.598 -2.641 13.918 289 HD1 TYR 40 HD1 TYR 40 -6.331 -4.692 13.139 290 HD2 TYR 40 HD2 TYR 40 -2.783 -3.423 11.164 291 HE1 TYR 40 HE1 TYR 40 -6.107 -6.921 12.122 292 HE2 TYR 40 HE2 TYR 40 -2.549 -5.647 10.141 293 HH TYR 40 HH TYR 40 -4.104 -7.573 9.548 294 H LYS 41 H LYS 41 -5.838 0.510 13.418 295 HA LYS 41 HA LYS 41 -6.828 -0.003 16.082 296 HB2 LYS 41 HB2 LYS 41 -5.200 1.968 14.840 297 HB3 LYS 41 HB3 LYS 41 -6.583 2.795 15.546 298 HG2 LYS 41 HG2 LYS 41 -6.084 1.959 17.711 299 HG3 LYS 41 HG3 LYS 41 -4.870 0.849 17.070 300 HD2 LYS 41 HD2 LYS 41 -3.406 2.635 16.516 301 HD3 LYS 41 HD3 LYS 41 -4.663 3.842 16.801 302 HE2 LYS 41 HE2 LYS 41 -4.006 2.070 19.072 303 HE3 LYS 41 HE3 LYS 41 -2.757 3.220 18.595 304 HZ1 LYS 41 HZ1 LYS 41 -3.866 4.709 19.786 305 HZ2 LYS 41 HZ2 LYS 41 -5.198 3.685 19.986 306 HZ3 LYS 41 HZ3 LYS 41 -5.085 4.668 18.614 307 H CYS 42 H CYS 42 -8.063 1.195 13.083 308 HA CYS 42 HA CYS 42 -10.362 2.493 14.243 309 HB2 CYS 42 HB2 CYS 42 -10.199 3.524 12.258 310 HB3 CYS 42 HB3 CYS 42 -9.154 2.263 11.611 311 H GLN 43 H GLN 43 -9.736 -0.510 12.459 312 HA GLN 43 HA GLN 43 -12.368 -1.439 12.335 313 HB2 GLN 43 HB2 GLN 43 -11.246 -3.736 12.218 314 HB3 GLN 43 HB3 GLN 43 -10.806 -2.561 10.986 315 HG2 GLN 43 HG2 GLN 43 -8.680 -2.823 11.511 316 HG3 GLN 43 HG3 GLN 43 -9.012 -2.220 13.134 317 HE21 GLN 43 HE22 GLN 43 -9.767 -5.208 11.371 318 HE22 GLN 43 HE21 GLN 43 -9.144 -6.278 12.575 319 H ASN 44 H ASN 44 -9.873 -1.948 14.803 320 HA ASN 44 HA ASN 44 -11.979 -2.558 16.732 321 HB2 ASN 44 HB2 ASN 44 -9.578 -4.335 16.247 322 HB3 ASN 44 HB3 ASN 44 -10.681 -4.492 17.611 323 HD21 ASN 44 HD22 ASN 44 -9.948 -6.094 15.077 324 HD22 ASN 44 HD21 ASN 44 -11.490 -6.585 14.471 325 HA PRO 45 HA PRO 45 -8.830 0.385 18.382 326 HB2 PRO 45 HB3 PRO 45 -10.653 1.986 19.601 327 HB3 PRO 45 HB2 PRO 45 -10.202 2.164 17.901 328 HG2 PRO 45 HG2 PRO 45 -12.592 0.813 19.097 329 HG3 PRO 45 HG3 PRO 45 -12.501 1.882 17.685 330 HD2 PRO 45 HD2 PRO 45 -12.641 -0.813 17.465 331 HD3 PRO 45 HD3 PRO 45 -11.762 0.196 16.298 332 H ASN 46 H ASN 46 -11.051 -1.823 19.631 333 HA ASN 46 HA ASN 46 -10.299 -1.286 22.413 334 HB2 ASN 46 HB2 ASN 46 -12.140 -2.636 23.072 335 HB3 ASN 46 HB3 ASN 46 -12.725 -1.641 21.743 336 HD21 ASN 46 HD22 ASN 46 -13.349 -2.588 19.861 337 HD22 ASN 46 HD21 ASN 46 -13.440 -4.299 19.636 338 H HIS 47 H HIS 47 -8.685 -2.623 20.170 339 HA HIS 47 HA HIS 47 -8.205 -5.228 21.428 340 HB2 HIS 47 HB2 HIS 47 -7.288 -5.959 19.425 341 HB3 HIS 47 HB3 HIS 47 -8.531 -4.844 18.864 342 HD1 HIS 47 HD1 HIS 47 -6.965 -2.191 19.285 343 HD2 HIS 47 HD2 HIS 47 -5.428 -5.591 17.456 344 HE1 HIS 47 HE1 HIS 47 -5.092 -1.377 17.819 345 H GLU 48 H GLU 48 -5.864 -5.913 21.525 346 HA GLU 48 HA GLU 48 -4.264 -3.676 22.572 347 HB2 GLU 48 HB2 GLU 48 -4.376 -6.593 23.305 348 HB3 GLU 48 HB3 GLU 48 -3.012 -5.582 23.762 349 HG2 GLU 48 HG2 GLU 48 -5.273 -4.144 24.528 350 HG3 GLU 48 HG3 GLU 48 -5.610 -5.816 24.971 351 H LYS 49 H LYS 49 -3.031 -3.014 20.898 352 HA LYS 49 HA LYS 49 -1.973 -4.649 18.877 353 HB2 LYS 49 HB2 LYS 49 -2.154 -2.279 18.528 354 HB3 LYS 49 HB3 LYS 49 -1.107 -1.943 19.901 355 HG2 LYS 49 HG2 LYS 49 0.743 -3.078 18.679 356 HG3 LYS 49 HG3 LYS 49 -0.325 -3.195 17.279 357 HD2 LYS 49 HD2 LYS 49 1.046 -1.262 16.985 358 HD3 LYS 49 HD3 LYS 49 -0.583 -0.706 17.376 359 HE2 LYS 49 HE2 LYS 49 0.755 -1.020 19.827 360 HE3 LYS 49 HE3 LYS 49 1.891 -0.212 18.748 361 HZ1 LYS 49 HZ1 LYS 49 0.800 1.643 19.241 362 HZ2 LYS 49 HZ2 LYS 49 -0.472 0.809 19.983 363 HZ3 LYS 49 HZ3 LYS 49 -0.487 1.059 18.311 364 H LEU 50 H LEU 50 -0.710 -6.347 19.335 365 HA LEU 50 HA LEU 50 1.223 -6.264 21.477 366 HB2 LEU 50 HB2 LEU 50 0.936 -8.420 19.404 367 HB3 LEU 50 HB3 LEU 50 1.608 -8.553 21.027 368 HG LEU 50 HG LEU 50 -1.137 -7.712 21.164 369 HD11 LEU 50 HD11 LEU 50 -0.775 -10.386 19.846 370 HD12 LEU 50 HD12 LEU 50 -1.138 -8.924 18.931 371 HD13 LEU 50 HD13 LEU 50 -2.270 -9.503 20.153 372 HD21 LEU 50 HD21 LEU 50 0.290 -10.220 22.045 373 HD22 LEU 50 HD22 LEU 50 -1.308 -9.701 22.581 374 HD23 LEU 50 HD23 LEU 50 0.113 -8.737 22.985 375 H GLY 51 H GLY 51 3.427 -6.178 21.305 376 HA2 GLY 51 HA2 GLY 51 4.567 -5.929 18.601 377 HA3 GLY 51 HA3 GLY 51 4.884 -4.684 19.801 378 H TYR 52 H TYR 52 4.647 -7.622 21.344 379 HA TYR 52 HA TYR 52 7.115 -8.841 20.843 380 HB2 TYR 52 HB2 TYR 52 7.593 -6.443 22.004 381 HB3 TYR 52 HB3 TYR 52 7.422 -7.451 23.437 382 HD1 TYR 52 HD2 TYR 52 8.956 -9.380 23.774 383 HD2 TYR 52 HD1 TYR 52 9.519 -6.593 20.610 384 HE1 TYR 52 HE2 TYR 52 11.273 -10.162 23.506 385 HE2 TYR 52 HE1 TYR 52 11.837 -7.367 20.331 386 HH TYR 52 HH TYR 52 13.247 -9.764 22.516 387 H THR 53 H THR 53 4.390 -9.497 21.476 388 HA THR 53 HA THR 53 4.511 -10.689 24.137 389 HB THR 53 HB THR 53 2.232 -10.875 22.165 390 HG1 THR 53 HG1 THR 53 2.976 -8.827 23.958 391 HG21 THR 53 HG21 THR 53 1.526 -12.306 23.752 392 HG22 THR 53 HG22 THR 53 1.180 -10.849 24.682 393 HG23 THR 53 HG23 THR 53 2.692 -11.719 24.937 394 H HIS 54 H HIS 54 4.161 -12.930 24.499 395 HA HIS 54 HA HIS 54 5.662 -14.647 22.900 396 HB2 HIS 54 HB2 HIS 54 3.797 -14.965 25.180 397 HB3 HIS 54 HB3 HIS 54 4.085 -16.405 24.208 398 HD1 HIS 54 HD1 HIS 54 6.369 -13.702 25.635 399 HD2 HIS 54 HD2 HIS 54 6.062 -17.835 25.343 400 HE1 HIS 54 HE1 HIS 54 8.411 -14.611 26.788 401 H GLU 55 H GLU 55 2.387 -13.624 22.602 402 HA GLU 55 HA GLU 55 1.544 -15.827 20.950 403 HB2 GLU 55 HB2 GLU 55 -0.540 -14.712 20.775 404 HB3 GLU 55 HB3 GLU 55 0.021 -14.434 22.418 405 HG2 GLU 55 HG2 GLU 55 0.773 -12.207 21.804 406 HG3 GLU 55 HG3 GLU 55 0.261 -12.482 20.140 407 H CYS 56 H CYS 56 2.942 -12.674 20.480 408 HA CYS 56 HA CYS 56 2.703 -13.008 17.563 409 HB2 CYS 56 HB2 CYS 56 2.799 -10.589 19.325 410 HB3 CYS 56 HB3 CYS 56 3.393 -10.472 17.672 411 H GLU 57 H GLU 57 4.660 -14.409 19.053 412 HA GLU 57 HA GLU 57 7.148 -13.246 19.289 413 HB2 GLU 57 HB2 GLU 57 6.320 -15.681 19.777 414 HB3 GLU 57 HB3 GLU 57 6.902 -16.006 18.150 415 HG2 GLU 57 HG2 GLU 57 9.117 -15.097 18.837 416 HG3 GLU 57 HG3 GLU 57 8.503 -14.996 20.486 417 H GLU 58 H GLU 58 5.615 -14.587 16.396 418 HA GLU 58 HA GLU 58 7.798 -14.372 14.657 419 HB2 GLU 58 HB2 GLU 58 6.145 -14.443 12.848 420 HB3 GLU 58 HB3 GLU 58 5.785 -15.634 14.089 421 HG2 GLU 58 HG2 GLU 58 4.002 -14.327 14.949 422 HG3 GLU 58 HG3 GLU 58 4.462 -12.940 13.963 423 H ALA 59 H ALA 59 5.552 -11.989 15.841 424 HA ALA 59 HA ALA 59 6.080 -9.992 13.887 425 HB1 ALA 59 HB1 ALA 59 4.060 -10.006 15.297 426 HB2 ALA 59 HB2 ALA 59 5.059 -9.638 16.703 427 HB3 ALA 59 HB3 ALA 59 4.932 -8.476 15.383 428 H ILE 60 H ILE 60 7.668 -11.001 16.810 429 HA ILE 60 HA ILE 60 9.148 -8.680 17.367 430 HB ILE 60 HB ILE 60 9.918 -11.556 17.878 431 HG12 ILE 60 HG12 ILE 60 8.632 -9.572 19.761 432 HG13 ILE 60 HG13 ILE 60 7.725 -10.772 18.848 433 HG21 ILE 60 HG21 ILE 60 11.895 -10.404 18.189 434 HG22 ILE 60 HG22 ILE 60 11.079 -8.948 18.755 435 HG23 ILE 60 HG23 ILE 60 11.189 -10.361 19.804 436 HD11 ILE 60 HD11 ILE 60 9.747 -11.239 21.014 437 HD12 ILE 60 HD12 ILE 60 8.034 -11.653 21.009 438 HD13 ILE 60 HD13 ILE 60 9.154 -12.520 19.958 439 H LYS 61 H LYS 61 10.131 -11.617 15.596 440 HA LYS 61 HA LYS 61 12.624 -10.575 14.760 441 HB2 LYS 61 HB2 LYS 61 12.830 -12.520 13.425 442 HB3 LYS 61 HB3 LYS 61 11.937 -13.015 14.857 443 HG2 LYS 61 HG2 LYS 61 10.487 -13.936 13.448 444 HG3 LYS 61 HG3 LYS 61 9.943 -12.291 13.111 445 HD2 LYS 61 HD2 LYS 61 11.424 -12.134 11.220 446 HD3 LYS 61 HD3 LYS 61 12.152 -13.694 11.609 447 HE2 LYS 61 HE2 LYS 61 9.244 -13.784 11.310 448 HE3 LYS 61 HE3 LYS 61 10.094 -13.289 9.846 449 HZ1 LYS 61 HZ1 LYS 61 10.677 -15.746 11.410 450 HZ2 LYS 61 HZ2 LYS 61 11.431 -15.280 9.969 451 HZ3 LYS 61 HZ3 LYS 61 9.791 -15.695 9.969 452 H ASN 62 H ASN 62 9.409 -10.191 13.583 453 HA ASN 62 HA ASN 62 10.086 -9.461 10.906 454 HB2 ASN 62 HB2 ASN 62 7.659 -9.616 12.544 455 HB3 ASN 62 HB3 ASN 62 7.644 -8.286 11.390 456 HD21 ASN 62 HD22 ASN 62 6.823 -11.416 11.814 457 HD22 ASN 62 HD21 ASN 62 6.805 -11.945 10.170 458 H ALA 63 H ALA 63 9.875 -7.785 13.944 459 HA ALA 63 HA ALA 63 10.080 -5.176 12.644 460 HB1 ALA 63 HB1 ALA 63 9.399 -6.111 15.379 461 HB2 ALA 63 HB2 ALA 63 10.117 -4.509 15.206 462 HB3 ALA 63 HB3 ALA 63 8.615 -4.897 14.367 463 HA PRO 64 HA PRO 64 14.398 -4.660 13.228 464 HB2 PRO 64 HB3 PRO 64 14.579 -2.059 13.984 465 HB3 PRO 64 HB2 PRO 64 14.171 -2.555 12.337 466 HG2 PRO 64 HG2 PRO 64 12.362 -1.670 14.552 467 HG3 PRO 64 HG3 PRO 64 12.321 -1.236 12.834 468 HD2 PRO 64 HD2 PRO 64 10.671 -3.096 13.905 469 HD3 PRO 64 HD3 PRO 64 11.263 -3.193 12.234 470 H ARG 65 H ARG 65 15.181 -5.841 14.904 471 HA ARG 65 HA ARG 65 14.524 -5.436 17.620 472 HB2 ARG 65 HB2 ARG 65 16.571 -7.015 16.137 473 HB3 ARG 65 HB3 ARG 65 16.819 -6.758 17.859 474 HG2 ARG 65 HG2 ARG 65 14.508 -7.672 18.224 475 HG3 ARG 65 HG3 ARG 65 14.504 -8.126 16.519 476 HD2 ARG 65 HD2 ARG 65 16.935 -9.058 17.552 477 HD3 ARG 65 HD3 ARG 65 15.718 -9.453 18.766 478 HE ARG 65 HE ARG 65 14.829 -10.998 17.326 479 HH11 ARG 65 HH11 ARG 65 16.983 -8.898 15.573 480 HH12 ARG 65 HH12 ARG 65 16.931 -9.842 14.121 481 HH21 ARG 65 HH22 ARG 65 14.753 -12.248 15.420 482 HH22 ARG 65 HH21 ARG 65 15.661 -11.747 14.035 483 HA PRO 66 HA PRO 66 17.167 -2.203 18.963 484 HB2 PRO 66 HB3 PRO 66 18.005 -3.096 21.386 485 HB3 PRO 66 HB2 PRO 66 16.353 -2.545 21.084 486 HG2 PRO 66 HG2 PRO 66 17.429 -5.336 21.189 487 HG3 PRO 66 HG3 PRO 66 15.926 -4.690 21.874 488 HD2 PRO 66 HD2 PRO 66 15.988 -6.083 19.553 489 HD3 PRO 66 HD3 PRO 66 14.818 -4.783 19.856 Start of MODEL 10 1 H1 VAL 1 H1 VAL 1 -2.391 -5.332 3.929 2 HA VAL 1 HA VAL 1 -2.021 -3.972 6.508 3 HB VAL 1 HB VAL 1 -3.869 -2.372 5.751 4 HG11 VAL 1 HG11 VAL 1 -2.144 -0.986 4.418 5 HG12 VAL 1 HG12 VAL 1 -1.782 -1.409 6.092 6 HG13 VAL 1 HG13 VAL 1 -1.039 -2.314 4.772 7 HG21 VAL 1 HG21 VAL 1 -2.927 -3.292 3.036 8 HG22 VAL 1 HG22 VAL 1 -4.511 -3.622 3.738 9 HG23 VAL 1 HG23 VAL 1 -4.042 -1.965 3.359 10 HA PRO 2 HA PRO 2 -5.461 -6.312 7.909 11 HB2 PRO 2 HB3 PRO 2 -6.604 -4.590 9.669 12 HB3 PRO 2 HB2 PRO 2 -5.075 -5.418 9.990 13 HG2 PRO 2 HG2 PRO 2 -5.550 -2.626 9.022 14 HG3 PRO 2 HG3 PRO 2 -4.399 -3.208 10.239 15 HD2 PRO 2 HD2 PRO 2 -3.665 -2.634 7.697 16 HD3 PRO 2 HD3 PRO 2 -2.882 -3.910 8.652 17 H VAL 3 H VAL 3 -7.269 -6.777 6.841 18 HA VAL 3 HA VAL 3 -9.251 -4.694 6.359 19 HB VAL 3 HB VAL 3 -9.516 -5.763 3.975 20 HG11 VAL 3 HG11 VAL 3 -7.187 -3.928 4.127 21 HG12 VAL 3 HG12 VAL 3 -8.638 -3.838 3.127 22 HG13 VAL 3 HG13 VAL 3 -8.710 -3.386 4.830 23 HG21 VAL 3 HG21 VAL 3 -7.727 -6.800 3.031 24 HG22 VAL 3 HG22 VAL 3 -6.558 -5.925 4.020 25 HG23 VAL 3 HG23 VAL 3 -7.451 -7.283 4.705 26 H GLY 4 H GLY 4 -11.209 -5.825 5.141 27 HA2 GLY 4 HA2 GLY 4 -12.286 -8.056 4.905 28 HA3 GLY 4 HA3 GLY 4 -11.655 -8.408 6.507 29 H SER 5 H SER 5 -13.503 -5.753 5.000 30 HA SER 5 HA SER 5 -15.367 -4.635 5.673 31 HB2 SER 5 HB2 SER 5 -16.303 -6.964 7.289 32 HB3 SER 5 HB3 SER 5 -17.202 -5.938 6.171 33 HG SER 5 HG SER 5 -15.996 -6.984 4.467 34 H ASP 6 H ASP 6 -12.940 -4.774 7.430 35 HA ASP 6 HA ASP 6 -14.220 -4.088 9.993 36 HB2 ASP 6 HB2 ASP 6 -12.075 -5.825 9.451 37 HB3 ASP 6 HB3 ASP 6 -11.358 -4.396 10.190 38 H CYS 7 H CYS 7 -11.756 -3.121 7.653 39 HA CYS 7 HA CYS 7 -12.214 -0.346 8.232 40 HB2 CYS 7 HB2 CYS 7 -10.620 -1.025 10.035 41 HB3 CYS 7 HB3 CYS 7 -9.459 -1.463 8.786 42 H GLU 8 H GLU 8 -11.452 1.019 6.618 43 HA GLU 8 HA GLU 8 -10.120 -0.301 4.347 44 HB2 GLU 8 HB2 GLU 8 -11.486 1.306 2.902 45 HB3 GLU 8 HB3 GLU 8 -12.337 -0.061 3.606 46 HG2 GLU 8 HG2 GLU 8 -13.168 1.402 5.397 47 HG3 GLU 8 HG3 GLU 8 -12.360 2.768 4.630 48 HA PRO 9 HA PRO 9 -7.177 2.966 4.715 49 HB2 PRO 9 HB3 PRO 9 -5.993 2.685 2.288 50 HB3 PRO 9 HB2 PRO 9 -5.722 1.561 3.626 51 HG2 PRO 9 HG2 PRO 9 -7.543 1.292 1.265 52 HG3 PRO 9 HG3 PRO 9 -6.476 0.081 1.999 53 HD2 PRO 9 HD2 PRO 9 -9.141 0.153 2.473 54 HD3 PRO 9 HD3 PRO 9 -7.969 -0.394 3.689 55 H LYS 10 H LYS 10 -8.213 4.913 4.714 56 HA LYS 10 HA LYS 10 -8.572 6.193 2.108 57 HB2 LYS 10 HB2 LYS 10 -10.667 6.080 4.280 58 HB3 LYS 10 HB3 LYS 10 -10.713 7.227 2.948 59 HG2 LYS 10 HG2 LYS 10 -10.538 5.092 1.467 60 HG3 LYS 10 HG3 LYS 10 -11.117 4.273 2.920 61 HD2 LYS 10 HD2 LYS 10 -12.484 6.617 1.599 62 HD3 LYS 10 HD3 LYS 10 -12.940 4.926 1.375 63 HE2 LYS 10 HE2 LYS 10 -14.288 5.171 3.130 64 HE3 LYS 10 HE3 LYS 10 -12.837 5.250 4.128 65 HZ1 LYS 10 HZ1 LYS 10 -14.369 7.129 4.476 66 HZ2 LYS 10 HZ2 LYS 10 -14.136 7.604 2.869 67 HZ3 LYS 10 HZ3 LYS 10 -12.838 7.626 3.954 68 H LEU 11 H LEU 11 -6.898 6.254 4.758 69 HA LEU 11 HA LEU 11 -6.112 8.920 4.612 70 HB2 LEU 11 HB2 LEU 11 -8.444 8.447 6.267 71 HB3 LEU 11 HB3 LEU 11 -7.113 9.140 7.193 72 HG LEU 11 HG LEU 11 -7.859 10.436 4.620 73 HD11 LEU 11 HD11 LEU 11 -10.020 10.441 5.330 74 HD12 LEU 11 HD12 LEU 11 -9.428 11.840 6.225 75 HD13 LEU 11 HD13 LEU 11 -9.582 10.279 7.031 76 HD21 LEU 11 HD21 LEU 11 -7.476 12.186 6.833 77 HD22 LEU 11 HD22 LEU 11 -6.464 11.969 5.405 78 HD23 LEU 11 HD23 LEU 11 -6.189 10.979 6.839 79 H CYS 12 H CYS 12 -4.101 7.932 4.735 80 HA CYS 12 HA CYS 12 -3.076 7.570 7.385 81 HB2 CYS 12 HB2 CYS 12 -2.355 5.284 7.201 82 HB3 CYS 12 HB3 CYS 12 -4.087 5.331 6.890 83 H THR 13 H THR 13 -0.690 6.919 7.273 84 HA THR 13 HA THR 13 0.528 8.021 4.826 85 HB THR 13 HB THR 13 2.307 8.502 6.961 86 HG1 THR 13 HG1 THR 13 1.115 9.256 8.558 87 HG21 THR 13 HG21 THR 13 1.708 10.914 6.422 88 HG22 THR 13 HG22 THR 13 0.545 10.262 5.269 89 HG23 THR 13 HG23 THR 13 2.265 9.926 5.073 90 H MET 14 H MET 14 2.403 7.067 4.099 91 HA MET 14 HA MET 14 2.849 4.364 4.909 92 HB2 MET 14 HB2 MET 14 4.443 4.261 3.126 93 HB3 MET 14 HB3 MET 14 3.074 5.208 2.559 94 HG2 MET 14 HG2 MET 14 4.290 7.254 2.877 95 HG3 MET 14 HG3 MET 14 5.631 6.384 3.618 96 HE1 MET 14 HE1 MET 14 5.589 7.766 -0.457 97 HE2 MET 14 HE2 MET 14 3.954 7.319 0.032 98 HE3 MET 14 HE3 MET 14 4.920 8.383 1.055 99 H ASP 15 H ASP 15 4.717 3.459 5.819 100 HA ASP 15 HA ASP 15 6.973 4.949 6.630 101 HB2 ASP 15 HB2 ASP 15 4.687 5.141 8.358 102 HB3 ASP 15 HB3 ASP 15 5.973 4.268 9.187 103 H LEU 16 H LEU 16 8.201 3.656 8.436 104 HA LEU 16 HA LEU 16 7.944 0.805 7.747 105 HB2 LEU 16 HB2 LEU 16 10.342 2.464 8.485 106 HB3 LEU 16 HB3 LEU 16 10.373 0.702 8.437 107 HG LEU 16 HG LEU 16 9.492 2.177 6.003 108 HD11 LEU 16 HD11 LEU 16 12.399 1.670 6.379 109 HD12 LEU 16 HD12 LEU 16 11.696 3.133 7.069 110 HD13 LEU 16 HD13 LEU 16 11.578 2.831 5.336 111 HD21 LEU 16 HD21 LEU 16 9.345 -0.096 5.678 112 HD22 LEU 16 HD22 LEU 16 10.745 -0.442 6.693 113 HD23 LEU 16 HD23 LEU 16 10.972 0.231 5.079 114 H VAL 17 H VAL 17 6.264 1.479 9.675 115 HA VAL 17 HA VAL 17 7.601 0.805 12.212 116 HB VAL 17 HB VAL 17 4.890 2.073 11.791 117 HG11 VAL 17 HG11 VAL 17 5.125 2.502 14.285 118 HG12 VAL 17 HG12 VAL 17 4.777 0.843 13.797 119 HG13 VAL 17 HG13 VAL 17 6.415 1.300 14.264 120 HG21 VAL 17 HG21 VAL 17 6.080 3.940 11.478 121 HG22 VAL 17 HG22 VAL 17 6.460 3.841 13.198 122 HG23 VAL 17 HG23 VAL 17 7.579 3.175 12.008 123 HA PRO 18 HA PRO 18 5.355 -3.048 11.073 124 HB2 PRO 18 HB3 PRO 18 7.217 -4.702 12.155 125 HB3 PRO 18 HB2 PRO 18 7.345 -4.053 10.516 126 HG2 PRO 18 HG2 PRO 18 8.671 -3.120 13.032 127 HG3 PRO 18 HG3 PRO 18 9.358 -3.304 11.407 128 HD2 PRO 18 HD2 PRO 18 8.587 -0.905 12.400 129 HD3 PRO 18 HD3 PRO 18 8.480 -1.303 10.673 130 H HIS 19 H HIS 19 3.668 -3.233 12.427 131 HA HIS 19 HA HIS 19 4.233 -3.909 15.231 132 HB2 HIS 19 HB2 HIS 19 2.554 -1.714 14.172 133 HB3 HIS 19 HB3 HIS 19 1.855 -2.648 15.491 134 HD1 HIS 19 HD1 HIS 19 4.409 -3.107 17.167 135 HD2 HIS 19 HD2 HIS 19 3.310 0.539 15.506 136 HE1 HIS 19 HE1 HIS 19 5.571 -1.359 18.553 137 H CYS 20 H CYS 20 2.461 -5.071 16.295 138 HA CYS 20 HA CYS 20 1.127 -6.855 14.389 139 HB2 CYS 20 HB2 CYS 20 2.666 -7.592 16.403 140 HB3 CYS 20 HB3 CYS 20 1.186 -7.378 17.333 141 H PHE 21 H PHE 21 -1.064 -7.237 14.432 142 HA PHE 21 HA PHE 21 -2.711 -5.836 16.386 143 HB2 PHE 21 HB2 PHE 21 -4.155 -4.959 14.468 144 HB3 PHE 21 HB3 PHE 21 -2.624 -4.135 14.749 145 HD1 PHE 21 HD1 PHE 21 -4.027 -6.938 12.729 146 HD2 PHE 21 HD2 PHE 21 -1.276 -3.697 12.943 147 HE1 PHE 21 HE1 PHE 21 -3.396 -7.323 10.382 148 HE2 PHE 21 HE2 PHE 21 -0.641 -4.076 10.597 149 HZ PHE 21 HZ PHE 21 -1.702 -5.890 9.313 150 H LEU 22 H LEU 22 -5.001 -6.473 16.252 151 HA LEU 22 HA LEU 22 -5.207 -9.290 15.510 152 HB2 LEU 22 HB2 LEU 22 -5.827 -8.369 17.802 153 HB3 LEU 22 HB3 LEU 22 -7.242 -7.672 17.016 154 HG LEU 22 HG LEU 22 -7.400 -10.295 16.256 155 HD11 LEU 22 HD11 LEU 22 -5.858 -10.120 18.758 156 HD12 LEU 22 HD12 LEU 22 -5.938 -11.409 17.557 157 HD13 LEU 22 HD13 LEU 22 -7.213 -11.250 18.766 158 HD21 LEU 22 HD21 LEU 22 -8.756 -8.469 18.032 159 HD22 LEU 22 HD22 LEU 22 -8.853 -10.128 18.625 160 HD23 LEU 22 HD23 LEU 22 -9.419 -9.738 17.001 161 H ASN 23 H ASN 23 -6.297 -9.956 13.782 162 HA ASN 23 HA ASN 23 -8.142 -8.060 12.485 163 HB2 ASN 23 HB2 ASN 23 -5.869 -9.347 11.435 164 HB3 ASN 23 HB3 ASN 23 -7.256 -10.162 10.718 165 HD21 ASN 23 HD22 ASN 23 -9.069 -8.252 10.362 166 HD22 ASN 23 HD21 ASN 23 -8.479 -7.014 9.311 167 HA PRO 24 HA PRO 24 -11.137 -11.190 13.622 168 HB2 PRO 24 HB3 PRO 24 -13.296 -9.783 12.767 169 HB3 PRO 24 HB2 PRO 24 -12.482 -9.456 14.302 170 HG2 PRO 24 HG2 PRO 24 -12.212 -8.043 11.678 171 HG3 PRO 24 HG3 PRO 24 -12.330 -7.359 13.310 172 HD2 PRO 24 HD2 PRO 24 -9.972 -7.610 12.003 173 HD3 PRO 24 HD3 PRO 24 -10.104 -7.743 13.769 174 H GLU 25 H GLU 25 -10.176 -10.085 10.580 175 HA GLU 25 HA GLU 25 -12.122 -11.656 9.093 176 HB2 GLU 25 HB2 GLU 25 -11.493 -9.512 8.157 177 HB3 GLU 25 HB3 GLU 25 -9.792 -9.957 8.190 178 HG2 GLU 25 HG2 GLU 25 -10.707 -10.105 5.944 179 HG3 GLU 25 HG3 GLU 25 -10.189 -11.685 6.531 180 H LYS 26 H LYS 26 -8.648 -11.647 9.776 181 HA LYS 26 HA LYS 26 -8.543 -14.440 8.841 182 HB2 LYS 26 HB2 LYS 26 -6.093 -13.952 8.360 183 HB3 LYS 26 HB3 LYS 26 -7.265 -13.223 7.270 184 HG2 LYS 26 HG2 LYS 26 -7.078 -11.126 8.642 185 HG3 LYS 26 HG3 LYS 26 -5.720 -11.885 9.474 186 HD2 LYS 26 HD2 LYS 26 -5.901 -11.407 6.500 187 HD3 LYS 26 HD3 LYS 26 -4.988 -10.416 7.640 188 HE2 LYS 26 HE2 LYS 26 -3.257 -11.768 7.280 189 HE3 LYS 26 HE3 LYS 26 -4.151 -13.021 8.140 190 HZ1 LYS 26 HZ1 LYS 26 -5.027 -13.833 6.096 191 HZ2 LYS 26 HZ2 LYS 26 -3.352 -13.689 5.907 192 HZ3 LYS 26 HZ3 LYS 26 -4.382 -12.535 5.222 193 H GLY 27 H GLY 27 -6.944 -12.067 10.968 194 HA2 GLY 27 HA2 GLY 27 -7.105 -13.074 13.384 195 HA3 GLY 27 HA3 GLY 27 -6.020 -14.261 12.675 196 H ILE 28 H ILE 28 -4.539 -13.564 14.371 197 HA ILE 28 HA ILE 28 -3.520 -10.984 14.633 198 HB ILE 28 HB ILE 28 -2.981 -12.575 16.314 199 HG12 ILE 28 HG12 ILE 28 -1.147 -10.888 15.309 200 HG13 ILE 28 HG13 ILE 28 -0.832 -11.919 16.700 201 HG21 ILE 28 HG21 ILE 28 -1.470 -14.519 15.806 202 HG22 ILE 28 HG22 ILE 28 -3.095 -14.628 15.130 203 HG23 ILE 28 HG23 ILE 28 -1.738 -14.182 14.095 204 HD11 ILE 28 HD11 ILE 28 -0.216 -12.844 13.923 205 HD12 ILE 28 HD12 ILE 28 0.906 -11.823 14.822 206 HD13 ILE 28 HD13 ILE 28 0.449 -13.404 15.458 207 H VAL 29 H VAL 29 -2.162 -9.772 13.471 208 HA VAL 29 HA VAL 29 -0.313 -10.991 11.590 209 HB VAL 29 HB VAL 29 -2.454 -9.065 10.678 210 HG11 VAL 29 HG11 VAL 29 -1.225 -9.681 8.412 211 HG12 VAL 29 HG12 VAL 29 -0.706 -8.324 9.414 212 HG13 VAL 29 HG13 VAL 29 0.151 -9.864 9.498 213 HG21 VAL 29 HG21 VAL 29 -3.232 -11.363 10.824 214 HG22 VAL 29 HG22 VAL 29 -3.068 -10.877 9.136 215 HG23 VAL 29 HG23 VAL 29 -1.848 -11.911 9.879 216 H VAL 30 H VAL 30 1.459 -9.728 11.149 217 HA VAL 30 HA VAL 30 1.521 -7.062 12.405 218 HB VAL 30 HB VAL 30 2.797 -8.645 13.766 219 HG11 VAL 30 HG11 VAL 30 3.481 -9.799 11.350 220 HG12 VAL 30 HG12 VAL 30 4.984 -9.058 11.903 221 HG13 VAL 30 HG13 VAL 30 4.140 -10.217 12.931 222 HG21 VAL 30 HG21 VAL 30 3.977 -6.800 14.180 223 HG22 VAL 30 HG22 VAL 30 5.157 -7.393 13.012 224 HG23 VAL 30 HG23 VAL 30 3.888 -6.282 12.497 225 H VAL 31 H VAL 31 2.144 -5.449 11.121 226 HA VAL 31 HA VAL 31 3.940 -5.931 8.888 227 HB VAL 31 HB VAL 31 2.489 -4.896 7.227 228 HG11 VAL 31 HG11 VAL 31 0.985 -7.145 8.548 229 HG12 VAL 31 HG12 VAL 31 1.038 -6.737 6.832 230 HG13 VAL 31 HG13 VAL 31 2.473 -7.378 7.632 231 HG21 VAL 31 HG21 VAL 31 -0.044 -5.100 8.534 232 HG22 VAL 31 HG22 VAL 31 1.019 -4.062 9.485 233 HG23 VAL 31 HG23 VAL 31 0.710 -3.690 7.789 234 H HIS 32 H HIS 32 4.641 -3.908 7.852 235 HA HIS 32 HA HIS 32 4.746 -1.746 9.828 236 HB2 HIS 32 HB2 HIS 32 6.664 -0.926 8.414 237 HB3 HIS 32 HB3 HIS 32 6.920 -2.496 9.169 238 HD1 HIS 32 HD1 HIS 32 7.022 -4.558 7.611 239 HD2 HIS 32 HD2 HIS 32 6.516 -0.947 5.621 240 HE1 HIS 32 HE1 HIS 32 7.464 -5.059 5.187 241 H GLY 33 H GLY 33 4.400 0.430 9.239 242 HA2 GLY 33 HA2 GLY 33 3.938 1.938 7.270 243 HA3 GLY 33 HA3 GLY 33 2.744 0.732 6.811 244 H GLY 34 H GLY 34 2.802 3.695 7.822 245 HA2 GLY 34 HA2 GLY 34 1.421 3.865 10.238 246 HA3 GLY 34 HA3 GLY 34 1.329 5.051 8.944 247 H CYS 35 H CYS 35 0.317 2.753 7.179 248 HA CYS 35 HA CYS 35 -2.442 3.335 7.482 249 HB2 CYS 35 HB2 CYS 35 -0.798 2.171 5.516 250 HB3 CYS 35 HB3 CYS 35 -1.990 0.945 5.932 251 H ALA 36 H ALA 36 -0.523 0.411 8.116 252 HA ALA 36 HA ALA 36 -2.661 -1.172 9.042 253 HB1 ALA 36 HB1 ALA 36 -0.190 -1.885 10.322 254 HB2 ALA 36 HB2 ALA 36 -1.092 -2.742 9.072 255 HB3 ALA 36 HB3 ALA 36 0.086 -1.510 8.620 256 H LEU 37 H LEU 37 -0.562 1.143 10.634 257 HA LEU 37 HA LEU 37 -1.415 0.447 13.288 258 HB2 LEU 37 HB2 LEU 37 0.795 1.536 12.561 259 HB3 LEU 37 HB3 LEU 37 -0.125 3.038 12.501 260 HG LEU 37 HG LEU 37 -0.624 2.832 14.885 261 HD11 LEU 37 HD11 LEU 37 0.904 0.265 14.605 262 HD12 LEU 37 HD12 LEU 37 -0.694 0.530 15.301 263 HD13 LEU 37 HD13 LEU 37 0.742 1.092 16.155 264 HD21 LEU 37 HD21 LEU 37 1.397 4.025 14.134 265 HD22 LEU 37 HD22 LEU 37 2.322 2.533 14.312 266 HD23 LEU 37 HD23 LEU 37 1.596 3.295 15.728 267 H SER 38 H SER 38 -2.067 3.128 11.049 268 HA SER 38 HA SER 38 -3.869 4.486 12.756 269 HB2 SER 38 HB2 SER 38 -2.997 5.813 11.037 270 HB3 SER 38 HB3 SER 38 -3.300 4.587 9.806 271 HG SER 38 HG SER 38 -4.794 6.346 9.730 272 H LYS 39 H LYS 39 -4.248 1.903 10.429 273 HA LYS 39 HA LYS 39 -7.139 2.013 10.507 274 HB2 LYS 39 HB2 LYS 39 -5.202 0.088 9.219 275 HB3 LYS 39 HB3 LYS 39 -6.949 -0.086 9.121 276 HG2 LYS 39 HG2 LYS 39 -7.191 1.787 7.780 277 HG3 LYS 39 HG3 LYS 39 -5.631 2.456 8.263 278 HD2 LYS 39 HD2 LYS 39 -5.228 1.678 6.109 279 HD3 LYS 39 HD3 LYS 39 -4.637 0.361 7.125 280 HE2 LYS 39 HE2 LYS 39 -6.906 -0.706 6.849 281 HE3 LYS 39 HE3 LYS 39 -7.243 0.516 5.624 282 HZ1 LYS 39 HZ1 LYS 39 -5.969 -1.894 5.248 283 HZ2 LYS 39 HZ2 LYS 39 -4.739 -0.736 5.151 284 HZ3 LYS 39 HZ3 LYS 39 -6.086 -0.625 4.135 285 H TYR 40 H TYR 40 -4.561 0.282 12.072 286 HA TYR 40 HA TYR 40 -5.826 -1.983 13.001 287 HB2 TYR 40 HB2 TYR 40 -3.752 -2.168 13.828 288 HB3 TYR 40 HB3 TYR 40 -3.493 -0.430 13.733 289 HD1 TYR 40 HD2 TYR 40 -4.897 -3.117 15.867 290 HD2 TYR 40 HD1 TYR 40 -3.528 0.908 15.676 291 HE1 TYR 40 HE2 TYR 40 -4.981 -2.978 18.321 292 HE2 TYR 40 HE1 TYR 40 -3.607 1.057 18.130 293 HH TYR 40 HH TYR 40 -5.112 -0.360 20.012 294 H LYS 41 H LYS 41 -5.880 1.279 14.381 295 HA LYS 41 HA LYS 41 -7.533 0.539 16.598 296 HB2 LYS 41 HB2 LYS 41 -6.113 2.876 15.708 297 HB3 LYS 41 HB3 LYS 41 -7.760 3.317 16.141 298 HG2 LYS 41 HG2 LYS 41 -7.465 2.822 18.344 299 HG3 LYS 41 HG3 LYS 41 -6.248 1.585 18.018 300 HD2 LYS 41 HD2 LYS 41 -4.550 3.063 18.095 301 HD3 LYS 41 HD3 LYS 41 -5.470 4.314 17.256 302 HE2 LYS 41 HE2 LYS 41 -6.672 4.819 19.320 303 HE3 LYS 41 HE3 LYS 41 -5.780 3.551 20.159 304 HZ1 LYS 41 HZ1 LYS 41 -3.771 4.752 19.921 305 HZ2 LYS 41 HZ2 LYS 41 -4.920 5.854 20.492 306 HZ3 LYS 41 HZ3 LYS 41 -4.469 5.872 18.862 307 H CYS 42 H CYS 42 -8.085 1.481 13.324 308 HA CYS 42 HA CYS 42 -10.799 2.339 13.696 309 HB2 CYS 42 HB2 CYS 42 -10.017 3.301 11.780 310 HB3 CYS 42 HB3 CYS 42 -8.961 1.944 11.402 311 H GLN 43 H GLN 43 -9.259 -0.572 12.348 312 HA GLN 43 HA GLN 43 -11.682 -1.949 11.859 313 HB2 GLN 43 HB2 GLN 43 -10.127 -3.989 11.842 314 HB3 GLN 43 HB3 GLN 43 -9.830 -2.730 10.651 315 HG2 GLN 43 HG2 GLN 43 -7.761 -2.474 11.377 316 HG3 GLN 43 HG3 GLN 43 -8.337 -2.153 13.012 317 HE21 GLN 43 HE22 GLN 43 -8.512 -5.075 11.025 318 HE22 GLN 43 HE21 GLN 43 -7.648 -6.088 12.126 319 H ASN 44 H ASN 44 -9.385 -2.011 14.557 320 HA ASN 44 HA ASN 44 -11.470 -3.294 16.187 321 HB2 ASN 44 HB2 ASN 44 -8.716 -4.206 15.661 322 HB3 ASN 44 HB3 ASN 44 -9.182 -4.210 17.360 323 HD21 ASN 44 HD22 ASN 44 -10.737 -5.008 14.267 324 HD22 ASN 44 HD21 ASN 44 -11.340 -6.546 14.776 325 HA PRO 45 HA PRO 45 -9.963 0.637 18.139 326 HB2 PRO 45 HB3 PRO 45 -12.443 1.543 18.773 327 HB3 PRO 45 HB2 PRO 45 -11.684 1.839 17.204 328 HG2 PRO 45 HG2 PRO 45 -13.714 -0.224 17.965 329 HG3 PRO 45 HG3 PRO 45 -13.642 0.793 16.515 330 HD2 PRO 45 HD2 PRO 45 -12.840 -1.793 16.522 331 HD3 PRO 45 HD3 PRO 45 -12.086 -0.562 15.488 332 H ASN 46 H ASN 46 -11.625 -2.160 19.069 333 HA ASN 46 HA ASN 46 -11.712 -1.366 21.892 334 HB2 ASN 46 HB2 ASN 46 -12.769 -3.942 20.732 335 HB3 ASN 46 HB3 ASN 46 -13.191 -3.187 22.266 336 HD21 ASN 46 HD22 ASN 46 -13.874 -3.418 18.942 337 HD22 ASN 46 HD21 ASN 46 -15.149 -2.254 18.883 338 H HIS 47 H HIS 47 -9.914 -3.218 19.648 339 HA HIS 47 HA HIS 47 -8.733 -4.961 21.639 340 HB2 HIS 47 HB2 HIS 47 -9.183 -5.429 19.084 341 HB3 HIS 47 HB3 HIS 47 -7.615 -4.654 18.881 342 HD1 HIS 47 HD1 HIS 47 -9.215 -7.679 20.452 343 HD2 HIS 47 HD2 HIS 47 -5.434 -6.203 19.564 344 HE1 HIS 47 HE1 HIS 47 -7.633 -9.589 20.868 345 H GLU 48 H GLU 48 -6.292 -5.101 21.718 346 HA GLU 48 HA GLU 48 -5.109 -2.404 21.645 347 HB2 GLU 48 HB2 GLU 48 -5.692 -3.273 23.960 348 HB3 GLU 48 HB3 GLU 48 -4.455 -4.498 23.715 349 HG2 GLU 48 HG2 GLU 48 -2.788 -2.712 23.403 350 HG3 GLU 48 HG3 GLU 48 -4.039 -1.518 23.741 351 H LYS 49 H LYS 49 -3.353 -2.258 20.426 352 HA LYS 49 HA LYS 49 -2.252 -4.438 19.042 353 HB2 LYS 49 HB2 LYS 49 -2.036 -2.285 18.067 354 HB3 LYS 49 HB3 LYS 49 -1.279 -1.625 19.511 355 HG2 LYS 49 HG2 LYS 49 0.229 -3.843 18.420 356 HG3 LYS 49 HG3 LYS 49 0.004 -2.546 17.244 357 HD2 LYS 49 HD2 LYS 49 1.464 -1.232 18.300 358 HD3 LYS 49 HD3 LYS 49 0.676 -1.501 19.857 359 HE2 LYS 49 HE2 LYS 49 1.881 -3.655 20.044 360 HE3 LYS 49 HE3 LYS 49 2.720 -3.286 18.538 361 HZ1 LYS 49 HZ1 LYS 49 3.033 -2.062 21.186 362 HZ2 LYS 49 HZ2 LYS 49 3.341 -1.120 19.815 363 HZ3 LYS 49 HZ3 LYS 49 4.216 -2.543 20.077 364 H LEU 50 H LEU 50 -0.726 -5.875 19.552 365 HA LEU 50 HA LEU 50 0.799 -5.443 22.033 366 HB2 LEU 50 HB2 LEU 50 -0.498 -7.804 20.830 367 HB3 LEU 50 HB3 LEU 50 1.075 -8.085 21.574 368 HG LEU 50 HG LEU 50 -0.812 -8.568 23.086 369 HD11 LEU 50 HD11 LEU 50 0.548 -6.167 24.212 370 HD12 LEU 50 HD12 LEU 50 1.511 -7.572 23.754 371 HD13 LEU 50 HD13 LEU 50 0.228 -7.735 24.954 372 HD21 LEU 50 HD21 LEU 50 -1.374 -5.626 22.749 373 HD22 LEU 50 HD22 LEU 50 -2.061 -6.630 24.026 374 HD23 LEU 50 HD23 LEU 50 -2.436 -6.973 22.336 375 H GLY 51 H GLY 51 3.005 -6.000 22.094 376 HA2 GLY 51 HA2 GLY 51 4.262 -6.425 19.457 377 HA3 GLY 51 HA3 GLY 51 4.855 -5.188 20.555 378 H TYR 52 H TYR 52 3.809 -7.746 22.381 379 HA TYR 52 HA TYR 52 6.343 -9.203 22.233 380 HB2 TYR 52 HB2 TYR 52 6.036 -7.256 24.111 381 HB3 TYR 52 HB3 TYR 52 5.422 -8.657 24.981 382 HD1 TYR 52 HD2 TYR 52 8.346 -7.605 22.912 383 HD2 TYR 52 HD1 TYR 52 6.918 -10.015 26.114 384 HE1 TYR 52 HE2 TYR 52 10.653 -8.298 23.411 385 HE2 TYR 52 HE1 TYR 52 9.220 -10.714 26.623 386 HH TYR 52 HH TYR 52 11.963 -9.552 24.685 387 H THR 53 H THR 53 3.553 -9.786 21.514 388 HA THR 53 HA THR 53 2.652 -11.703 23.495 389 HB THR 53 HB THR 53 1.061 -12.161 21.330 390 HG1 THR 53 HG1 THR 53 0.633 -10.002 20.502 391 HG21 THR 53 HG21 THR 53 0.777 -10.016 23.435 392 HG22 THR 53 HG22 THR 53 0.238 -11.690 23.551 393 HG23 THR 53 HG23 THR 53 -0.537 -10.591 22.410 394 H HIS 54 H HIS 54 2.591 -13.923 23.242 395 HA HIS 54 HA HIS 54 4.716 -15.132 21.876 396 HB2 HIS 54 HB2 HIS 54 2.449 -16.011 23.504 397 HB3 HIS 54 HB3 HIS 54 2.915 -17.184 22.276 398 HD1 HIS 54 HD1 HIS 54 4.667 -15.109 24.948 399 HD2 HIS 54 HD2 HIS 54 4.871 -18.837 23.125 400 HE1 HIS 54 HE1 HIS 54 6.516 -16.336 26.132 401 H GLU 55 H GLU 55 1.518 -14.315 20.854 402 HA GLU 55 HA GLU 55 1.474 -16.112 18.606 403 HB2 GLU 55 HB2 GLU 55 -0.274 -13.702 19.124 404 HB3 GLU 55 HB3 GLU 55 -0.599 -15.016 18.003 405 HG2 GLU 55 HG2 GLU 55 -0.309 -16.388 20.313 406 HG3 GLU 55 HG3 GLU 55 -0.979 -14.870 20.908 407 H CYS 56 H CYS 56 2.503 -12.852 19.238 408 HA CYS 56 HA CYS 56 2.839 -12.290 16.391 409 HB2 CYS 56 HB2 CYS 56 3.273 -10.557 18.833 410 HB3 CYS 56 HB3 CYS 56 3.509 -10.022 17.172 411 H GLU 57 H GLU 57 4.461 -14.251 18.038 412 HA GLU 57 HA GLU 57 7.028 -13.362 18.542 413 HB2 GLU 57 HB2 GLU 57 5.832 -15.755 18.711 414 HB3 GLU 57 HB3 GLU 57 6.758 -16.018 17.241 415 HG2 GLU 57 HG2 GLU 57 8.806 -15.380 18.448 416 HG3 GLU 57 HG3 GLU 57 7.856 -15.210 19.923 417 H GLU 58 H GLU 58 5.541 -14.241 15.477 418 HA GLU 58 HA GLU 58 7.886 -14.257 13.913 419 HB2 GLU 58 HB2 GLU 58 5.232 -14.806 13.465 420 HB3 GLU 58 HB3 GLU 58 5.465 -13.326 12.545 421 HG2 GLU 58 HG2 GLU 58 6.254 -14.580 10.904 422 HG3 GLU 58 HG3 GLU 58 7.669 -14.882 11.910 423 H ALA 59 H ALA 59 5.810 -11.687 15.038 424 HA ALA 59 HA ALA 59 6.613 -9.653 13.275 425 HB1 ALA 59 HB1 ALA 59 4.654 -9.477 14.737 426 HB2 ALA 59 HB2 ALA 59 5.716 -9.385 16.142 427 HB3 ALA 59 HB3 ALA 59 5.742 -8.102 14.932 428 H ILE 60 H ILE 60 8.055 -10.914 16.215 429 HA ILE 60 HA ILE 60 9.843 -8.917 16.864 430 HB ILE 60 HB ILE 60 10.362 -11.891 16.977 431 HG12 ILE 60 HG12 ILE 60 8.317 -11.294 18.159 432 HG13 ILE 60 HG13 ILE 60 9.582 -11.691 19.317 433 HG21 ILE 60 HG21 ILE 60 12.440 -10.918 17.325 434 HG22 ILE 60 HG22 ILE 60 11.758 -9.525 18.163 435 HG23 ILE 60 HG23 ILE 60 11.810 -11.096 18.963 436 HD11 ILE 60 HD11 ILE 60 8.042 -9.300 19.064 437 HD12 ILE 60 HD12 ILE 60 9.182 -9.768 20.325 438 HD13 ILE 60 HD13 ILE 60 9.756 -8.927 18.884 439 H LYS 61 H LYS 61 10.217 -11.503 14.468 440 HA LYS 61 HA LYS 61 12.827 -10.541 13.670 441 HB2 LYS 61 HB2 LYS 61 12.812 -12.382 12.086 442 HB3 LYS 61 HB3 LYS 61 12.307 -12.955 13.671 443 HG2 LYS 61 HG2 LYS 61 10.076 -13.175 13.010 444 HG3 LYS 61 HG3 LYS 61 10.310 -12.171 11.577 445 HD2 LYS 61 HD2 LYS 61 11.837 -14.726 11.881 446 HD3 LYS 61 HD3 LYS 61 10.159 -14.760 11.334 447 HE2 LYS 61 HE2 LYS 61 11.386 -12.741 9.842 448 HE3 LYS 61 HE3 LYS 61 12.553 -14.062 9.884 449 HZ1 LYS 61 HZ1 LYS 61 9.967 -13.920 8.584 450 HZ2 LYS 61 HZ2 LYS 61 10.299 -15.386 9.361 451 HZ3 LYS 61 HZ3 LYS 61 11.344 -14.807 8.163 452 H ASN 62 H ASN 62 9.527 -10.161 12.693 453 HA ASN 62 HA ASN 62 10.015 -9.281 10.034 454 HB2 ASN 62 HB2 ASN 62 7.755 -9.803 11.642 455 HB3 ASN 62 HB3 ASN 62 7.620 -8.123 11.133 456 HD21 ASN 62 HD22 ASN 62 8.107 -7.784 8.751 457 HD22 ASN 62 HD21 ASN 62 7.405 -8.925 7.661 458 H ALA 63 H ALA 63 10.128 -7.756 13.143 459 HA ALA 63 HA ALA 63 10.202 -5.081 11.973 460 HB1 ALA 63 HB1 ALA 63 9.865 -6.166 14.718 461 HB2 ALA 63 HB2 ALA 63 10.559 -4.554 14.540 462 HB3 ALA 63 HB3 ALA 63 8.962 -4.905 13.879 463 HA PRO 64 HA PRO 64 14.563 -4.604 12.041 464 HB2 PRO 64 HB3 PRO 64 14.856 -2.048 12.907 465 HB3 PRO 64 HB2 PRO 64 14.243 -2.453 11.300 466 HG2 PRO 64 HG2 PRO 64 12.730 -1.688 13.767 467 HG3 PRO 64 HG3 PRO 64 12.480 -1.161 12.093 468 HD2 PRO 64 HD2 PRO 64 10.961 -3.075 13.260 469 HD3 PRO 64 HD3 PRO 64 11.340 -3.082 11.525 470 H ARG 65 H ARG 65 15.802 -5.659 13.461 471 HA ARG 65 HA ARG 65 15.685 -4.859 16.294 472 HB2 ARG 65 HB2 ARG 65 16.758 -7.184 16.633 473 HB3 ARG 65 HB3 ARG 65 15.041 -7.101 16.261 474 HG2 ARG 65 HG2 ARG 65 15.319 -7.941 14.139 475 HG3 ARG 65 HG3 ARG 65 17.004 -7.425 14.042 476 HD2 ARG 65 HD2 ARG 65 17.469 -9.579 14.457 477 HD3 ARG 65 HD3 ARG 65 17.088 -9.168 16.129 478 HE ARG 65 HE ARG 65 14.804 -9.973 14.576 479 HH11 ARG 65 HH11 ARG 65 17.454 -11.056 16.558 480 HH12 ARG 65 HH12 ARG 65 16.681 -12.540 17.009 481 HH21 ARG 65 HH22 ARG 65 13.776 -11.923 15.163 482 HH22 ARG 65 HH21 ARG 65 14.590 -13.033 16.214 483 HA PRO 66 HA PRO 66 19.887 -3.599 16.208 484 HB2 PRO 66 HB3 PRO 66 20.757 -4.389 18.655 485 HB3 PRO 66 HB2 PRO 66 19.651 -3.031 18.422 486 HG2 PRO 66 HG2 PRO 66 19.045 -5.853 19.217 487 HG3 PRO 66 HG3 PRO 66 18.386 -4.341 19.868 488 HD2 PRO 66 HD2 PRO 66 17.038 -5.870 18.085 489 HD3 PRO 66 HD3 PRO 66 16.886 -4.102 18.134 Start of MODEL 11 1 H1 VAL 1 H1 VAL 1 -6.241 -7.687 2.594 2 HA VAL 1 HA VAL 1 -3.322 -7.874 2.883 3 HB VAL 1 HB VAL 1 -3.330 -5.310 2.876 4 HG11 VAL 1 HG11 VAL 1 -3.183 -5.245 0.381 5 HG12 VAL 1 HG12 VAL 1 -2.236 -6.530 1.135 6 HG13 VAL 1 HG13 VAL 1 -3.775 -6.906 0.359 7 HG21 VAL 1 HG21 VAL 1 -5.082 -4.139 1.925 8 HG22 VAL 1 HG22 VAL 1 -5.736 -5.566 1.120 9 HG23 VAL 1 HG23 VAL 1 -5.932 -5.368 2.861 10 HA PRO 2 HA PRO 2 -3.983 -7.242 7.176 11 HB2 PRO 2 HB3 PRO 2 -1.757 -5.850 7.868 12 HB3 PRO 2 HB2 PRO 2 -1.726 -7.569 7.455 13 HG2 PRO 2 HG2 PRO 2 -1.040 -5.201 5.757 14 HG3 PRO 2 HG3 PRO 2 -0.195 -6.753 5.907 15 HD2 PRO 2 HD2 PRO 2 -1.849 -6.189 3.839 16 HD3 PRO 2 HD3 PRO 2 -1.658 -7.830 4.489 17 H VAL 3 H VAL 3 -5.370 -5.908 8.137 18 HA VAL 3 HA VAL 3 -6.577 -4.038 8.646 19 HB VAL 3 HB VAL 3 -3.979 -2.527 8.484 20 HG11 VAL 3 HG11 VAL 3 -5.884 -2.194 10.713 21 HG12 VAL 3 HG12 VAL 3 -4.956 -0.988 9.820 22 HG13 VAL 3 HG13 VAL 3 -6.437 -1.652 9.129 23 HG21 VAL 3 HG21 VAL 3 -3.628 -3.269 10.861 24 HG22 VAL 3 HG22 VAL 3 -4.876 -4.485 10.588 25 HG23 VAL 3 HG23 VAL 3 -3.389 -4.520 9.641 26 H GLY 4 H GLY 4 -6.552 -4.622 5.899 27 HA2 GLY 4 HA2 GLY 4 -6.665 -1.896 4.764 28 HA3 GLY 4 HA3 GLY 4 -6.095 -3.273 3.833 29 H SER 5 H SER 5 -7.998 -5.175 4.624 30 HA SER 5 HA SER 5 -10.239 -4.288 3.014 31 HB2 SER 5 HB2 SER 5 -9.168 -6.540 2.717 32 HB3 SER 5 HB3 SER 5 -9.806 -6.994 4.297 33 HG SER 5 HG SER 5 -11.567 -5.951 2.388 34 H ASP 6 H ASP 6 -9.512 -4.951 6.348 35 HA ASP 6 HA ASP 6 -12.254 -5.068 7.204 36 HB2 ASP 6 HB2 ASP 6 -10.010 -4.462 9.086 37 HB3 ASP 6 HB3 ASP 6 -11.433 -5.471 9.331 38 H CYS 7 H CYS 7 -9.973 -2.590 6.557 39 HA CYS 7 HA CYS 7 -11.917 -0.577 7.353 40 HB2 CYS 7 HB2 CYS 7 -10.663 -0.633 9.363 41 HB3 CYS 7 HB3 CYS 7 -9.135 -0.767 8.497 42 H GLU 8 H GLU 8 -11.865 1.234 6.096 43 HA GLU 8 HA GLU 8 -10.095 1.131 3.781 44 HB2 GLU 8 HB2 GLU 8 -12.516 1.421 3.426 45 HB3 GLU 8 HB3 GLU 8 -12.467 2.918 4.346 46 HG2 GLU 8 HG2 GLU 8 -12.394 3.720 2.211 47 HG3 GLU 8 HG3 GLU 8 -10.674 3.606 2.580 48 HA PRO 9 HA PRO 9 -7.459 4.196 5.642 49 HB2 PRO 9 HB3 PRO 9 -5.796 4.466 3.514 50 HB3 PRO 9 HB2 PRO 9 -5.721 3.092 4.623 51 HG2 PRO 9 HG2 PRO 9 -7.009 3.283 1.927 52 HG3 PRO 9 HG3 PRO 9 -6.029 1.971 2.609 53 HD2 PRO 9 HD2 PRO 9 -8.733 1.872 2.516 54 HD3 PRO 9 HD3 PRO 9 -7.794 1.110 3.816 55 H LYS 10 H LYS 10 -7.829 6.311 5.780 56 HA LYS 10 HA LYS 10 -8.767 7.737 3.376 57 HB2 LYS 10 HB2 LYS 10 -9.887 7.557 6.021 58 HB3 LYS 10 HB3 LYS 10 -9.464 9.227 5.669 59 HG2 LYS 10 HG2 LYS 10 -10.704 8.409 3.358 60 HG3 LYS 10 HG3 LYS 10 -11.621 7.585 4.621 61 HD2 LYS 10 HD2 LYS 10 -12.243 9.590 5.643 62 HD3 LYS 10 HD3 LYS 10 -10.959 10.502 4.845 63 HE2 LYS 10 HE2 LYS 10 -12.298 10.999 3.141 64 HE3 LYS 10 HE3 LYS 10 -12.688 9.298 2.891 65 HZ1 LYS 10 HZ1 LYS 10 -14.361 11.281 3.851 66 HZ2 LYS 10 HZ2 LYS 10 -14.033 10.279 5.175 67 HZ3 LYS 10 HZ3 LYS 10 -14.684 9.623 3.759 68 H LEU 11 H LEU 11 -6.489 7.625 5.963 69 HA LEU 11 HA LEU 11 -4.740 9.460 4.754 70 HB2 LEU 11 HB2 LEU 11 -6.781 10.666 6.294 71 HB3 LEU 11 HB3 LEU 11 -5.284 10.809 7.212 72 HG LEU 11 HG LEU 11 -5.350 11.629 4.337 73 HD11 LEU 11 HD11 LEU 11 -5.715 13.952 5.799 74 HD12 LEU 11 HD12 LEU 11 -6.893 12.827 6.473 75 HD13 LEU 11 HD13 LEU 11 -6.896 13.174 4.744 76 HD21 LEU 11 HD21 LEU 11 -3.340 12.489 4.784 77 HD22 LEU 11 HD22 LEU 11 -3.391 11.542 6.272 78 HD23 LEU 11 HD23 LEU 11 -3.898 13.231 6.284 79 H CYS 12 H CYS 12 -2.753 8.981 5.437 80 HA CYS 12 HA CYS 12 -2.160 8.367 8.174 81 HB2 CYS 12 HB2 CYS 12 -1.495 6.091 7.939 82 HB3 CYS 12 HB3 CYS 12 -3.116 6.209 7.263 83 H THR 13 H THR 13 0.157 7.957 8.509 84 HA THR 13 HA THR 13 1.803 8.999 6.297 85 HB THR 13 HB THR 13 3.210 9.755 8.514 86 HG1 THR 13 HG1 THR 13 1.501 10.876 9.771 87 HG21 THR 13 HG21 THR 13 1.260 11.187 6.748 88 HG22 THR 13 HG22 THR 13 3.020 11.292 6.782 89 HG23 THR 13 HG23 THR 13 2.067 12.046 8.060 90 H MET 14 H MET 14 3.344 7.638 5.686 91 HA MET 14 HA MET 14 3.843 5.159 6.765 92 HB2 MET 14 HB2 MET 14 5.905 6.832 5.327 93 HB3 MET 14 HB3 MET 14 5.830 5.077 5.405 94 HG2 MET 14 HG2 MET 14 3.367 5.908 4.362 95 HG3 MET 14 HG3 MET 14 4.597 6.872 3.547 96 HE1 MET 14 HE1 MET 14 5.541 6.327 1.623 97 HE2 MET 14 HE2 MET 14 5.659 4.760 0.821 98 HE3 MET 14 HE3 MET 14 4.090 5.547 0.992 99 H ASP 15 H ASP 15 4.746 4.487 8.587 100 HA ASP 15 HA ASP 15 6.574 6.311 10.004 101 HB2 ASP 15 HB2 ASP 15 4.243 5.096 10.909 102 HB3 ASP 15 HB3 ASP 15 5.530 4.110 11.598 103 H LEU 16 H LEU 16 7.701 4.597 11.801 104 HA LEU 16 HA LEU 16 8.942 2.455 10.234 105 HB2 LEU 16 HB2 LEU 16 10.452 4.575 11.755 106 HB3 LEU 16 HB3 LEU 16 11.172 3.131 11.046 107 HG LEU 16 HG LEU 16 9.784 4.463 8.976 108 HD11 LEU 16 HD11 LEU 16 9.977 6.413 10.622 109 HD12 LEU 16 HD12 LEU 16 10.570 6.661 8.980 110 HD13 LEU 16 HD13 LEU 16 11.708 6.351 10.290 111 HD21 LEU 16 HD21 LEU 16 11.630 3.262 8.335 112 HD22 LEU 16 HD22 LEU 16 12.609 3.833 9.687 113 HD23 LEU 16 HD23 LEU 16 12.287 4.900 8.320 114 H VAL 17 H VAL 17 7.001 2.344 12.328 115 HA VAL 17 HA VAL 17 8.533 0.771 14.273 116 HB VAL 17 HB VAL 17 6.372 2.742 15.033 117 HG11 VAL 17 HG11 VAL 17 6.036 1.333 16.737 118 HG12 VAL 17 HG12 VAL 17 7.503 0.418 16.386 119 HG13 VAL 17 HG13 VAL 17 7.593 1.898 17.341 120 HG21 VAL 17 HG21 VAL 17 8.478 3.508 16.474 121 HG22 VAL 17 HG22 VAL 17 9.333 2.833 15.087 122 HG23 VAL 17 HG23 VAL 17 8.163 4.132 14.855 123 HA PRO 18 HA PRO 18 5.060 -1.731 12.651 124 HB2 PRO 18 HB3 PRO 18 6.389 -4.087 12.870 125 HB3 PRO 18 HB2 PRO 18 6.568 -3.009 11.480 126 HG2 PRO 18 HG2 PRO 18 8.345 -3.333 13.867 127 HG3 PRO 18 HG3 PRO 18 8.787 -3.168 12.158 128 HD2 PRO 18 HD2 PRO 18 8.912 -1.099 13.900 129 HD3 PRO 18 HD3 PRO 18 8.527 -0.878 12.181 130 H HIS 19 H HIS 19 3.913 -3.580 13.639 131 HA HIS 19 HA HIS 19 4.490 -4.314 16.347 132 HB2 HIS 19 HB2 HIS 19 2.504 -2.184 15.758 133 HB3 HIS 19 HB3 HIS 19 2.044 -3.395 16.951 134 HD1 HIS 19 HD1 HIS 19 4.922 -3.718 18.209 135 HD2 HIS 19 HD2 HIS 19 2.950 -0.125 17.530 136 HE1 HIS 19 HE1 HIS 19 5.946 -2.076 19.815 137 H CYS 20 H CYS 20 2.411 -5.491 17.272 138 HA CYS 20 HA CYS 20 1.566 -7.331 15.152 139 HB2 CYS 20 HB2 CYS 20 1.191 -7.765 18.109 140 HB3 CYS 20 HB3 CYS 20 1.245 -8.968 16.824 141 H PHE 21 H PHE 21 -0.400 -7.137 14.334 142 HA PHE 21 HA PHE 21 -2.504 -5.919 15.999 143 HB2 PHE 21 HB2 PHE 21 -3.422 -4.882 14.112 144 HB3 PHE 21 HB3 PHE 21 -1.687 -4.712 13.862 145 HD1 PHE 21 HD1 PHE 21 -4.742 -6.374 12.743 146 HD2 PHE 21 HD2 PHE 21 -0.553 -5.942 12.121 147 HE1 PHE 21 HE1 PHE 21 -4.958 -7.470 10.550 148 HE2 PHE 21 HE2 PHE 21 -0.763 -7.035 9.927 149 HZ PHE 21 HZ PHE 21 -2.967 -7.800 9.139 150 H LEU 22 H LEU 22 -4.723 -6.648 15.509 151 HA LEU 22 HA LEU 22 -4.749 -9.510 14.812 152 HB2 LEU 22 HB2 LEU 22 -5.654 -8.159 17.118 153 HB3 LEU 22 HB3 LEU 22 -7.087 -8.706 16.250 154 HG LEU 22 HG LEU 22 -5.055 -10.780 16.502 155 HD11 LEU 22 HD11 LEU 22 -6.384 -9.919 19.053 156 HD12 LEU 22 HD12 LEU 22 -4.753 -9.408 18.621 157 HD13 LEU 22 HD13 LEU 22 -5.115 -11.122 18.823 158 HD21 LEU 22 HD21 LEU 22 -6.884 -12.141 16.827 159 HD22 LEU 22 HD22 LEU 22 -7.588 -10.833 15.877 160 HD23 LEU 22 HD23 LEU 22 -7.820 -10.876 17.624 161 H ASN 23 H ASN 23 -6.018 -10.177 13.192 162 HA ASN 23 HA ASN 23 -7.895 -8.224 12.033 163 HB2 ASN 23 HB2 ASN 23 -5.722 -9.295 10.792 164 HB3 ASN 23 HB3 ASN 23 -6.971 -10.444 10.321 165 HD21 ASN 23 HD22 ASN 23 -6.993 -6.935 10.828 166 HD22 ASN 23 HD21 ASN 23 -7.597 -6.541 9.258 167 HA PRO 24 HA PRO 24 -11.126 -11.081 12.968 168 HB2 PRO 24 HB3 PRO 24 -13.022 -10.070 11.309 169 HB3 PRO 24 HB2 PRO 24 -12.544 -9.279 12.816 170 HG2 PRO 24 HG2 PRO 24 -11.692 -8.679 10.010 171 HG3 PRO 24 HG3 PRO 24 -12.137 -7.556 11.309 172 HD2 PRO 24 HD2 PRO 24 -9.562 -8.081 10.655 173 HD3 PRO 24 HD3 PRO 24 -10.068 -7.701 12.314 174 H GLU 25 H GLU 25 -9.777 -10.657 9.817 175 HA GLU 25 HA GLU 25 -11.128 -13.088 8.858 176 HB2 GLU 25 HB2 GLU 25 -10.583 -12.379 6.613 177 HB3 GLU 25 HB3 GLU 25 -11.383 -11.060 7.457 178 HG2 GLU 25 HG2 GLU 25 -9.666 -9.710 7.114 179 HG3 GLU 25 HG3 GLU 25 -8.538 -10.880 7.797 180 H LYS 26 H LYS 26 -8.277 -12.053 10.205 181 HA LYS 26 HA LYS 26 -6.865 -14.416 9.186 182 HB2 LYS 26 HB2 LYS 26 -5.377 -11.860 9.702 183 HB3 LYS 26 HB3 LYS 26 -4.868 -13.264 8.773 184 HG2 LYS 26 HG2 LYS 26 -7.030 -12.484 7.352 185 HG3 LYS 26 HG3 LYS 26 -6.455 -10.931 7.962 186 HD2 LYS 26 HD2 LYS 26 -5.132 -11.009 6.133 187 HD3 LYS 26 HD3 LYS 26 -4.122 -12.023 7.166 188 HE2 LYS 26 HE2 LYS 26 -5.862 -13.851 6.158 189 HE3 LYS 26 HE3 LYS 26 -5.728 -12.725 4.808 190 HZ1 LYS 26 HZ1 LYS 26 -4.080 -14.529 4.729 191 HZ2 LYS 26 HZ2 LYS 26 -3.418 -13.981 6.187 192 HZ3 LYS 26 HZ3 LYS 26 -3.358 -13.001 4.809 193 H GLY 27 H GLY 27 -6.122 -11.761 11.452 194 HA2 GLY 27 HA2 GLY 27 -6.530 -12.396 13.881 195 HA3 GLY 27 HA3 GLY 27 -5.573 -13.819 13.495 196 H ILE 28 H ILE 28 -3.866 -13.467 14.839 197 HA ILE 28 HA ILE 28 -2.607 -10.969 15.224 198 HB ILE 28 HB ILE 28 -2.311 -12.671 16.882 199 HG12 ILE 28 HG12 ILE 28 -0.303 -11.113 15.986 200 HG13 ILE 28 HG13 ILE 28 -0.141 -12.188 17.370 201 HG21 ILE 28 HG21 ILE 28 -0.980 -14.724 16.383 202 HG22 ILE 28 HG22 ILE 28 -2.547 -14.657 15.578 203 HG23 ILE 28 HG23 ILE 28 -1.075 -14.302 14.673 204 HD11 ILE 28 HD11 ILE 28 0.958 -13.833 16.061 205 HD12 ILE 28 HD12 ILE 28 0.589 -12.977 14.565 206 HD13 ILE 28 HD13 ILE 28 1.727 -12.283 15.720 207 H VAL 29 H VAL 29 -1.282 -9.873 13.945 208 HA VAL 29 HA VAL 29 0.595 -11.248 12.213 209 HB VAL 29 HB VAL 29 -1.517 -9.406 11.088 210 HG11 VAL 29 HG11 VAL 29 1.018 -10.479 9.874 211 HG12 VAL 29 HG12 VAL 29 -0.330 -9.878 8.907 212 HG13 VAL 29 HG13 VAL 29 0.506 -8.798 10.023 213 HG21 VAL 29 HG21 VAL 29 -2.392 -11.600 11.271 214 HG22 VAL 29 HG22 VAL 29 -1.910 -11.399 9.586 215 HG23 VAL 29 HG23 VAL 29 -0.892 -12.324 10.691 216 H VAL 30 H VAL 30 2.433 -10.102 11.897 217 HA VAL 30 HA VAL 30 2.613 -7.511 13.237 218 HB VAL 30 HB VAL 30 4.885 -9.139 12.103 219 HG11 VAL 30 HG11 VAL 30 5.009 -6.604 12.802 220 HG12 VAL 30 HG12 VAL 30 5.114 -7.290 14.424 221 HG13 VAL 30 HG13 VAL 30 6.310 -7.724 13.202 222 HG21 VAL 30 HG21 VAL 30 5.223 -9.962 14.411 223 HG22 VAL 30 HG22 VAL 30 3.693 -9.216 14.872 224 HG23 VAL 30 HG23 VAL 30 3.714 -10.529 13.695 225 H VAL 31 H VAL 31 2.895 -5.636 12.196 226 HA VAL 31 HA VAL 31 3.907 -5.591 9.469 227 HB VAL 31 HB VAL 31 2.023 -4.175 8.674 228 HG11 VAL 31 HG11 VAL 31 1.266 -6.954 9.570 229 HG12 VAL 31 HG12 VAL 31 0.458 -6.024 8.307 230 HG13 VAL 31 HG13 VAL 31 2.132 -6.538 8.092 231 HG21 VAL 31 HG21 VAL 31 -0.149 -4.556 10.038 232 HG22 VAL 31 HG22 VAL 31 0.951 -4.869 11.380 233 HG23 VAL 31 HG23 VAL 31 0.984 -3.309 10.558 234 H HIS 32 H HIS 32 3.953 -3.214 8.679 235 HA HIS 32 HA HIS 32 5.310 -1.695 10.724 236 HB2 HIS 32 HB2 HIS 32 5.982 -0.219 8.950 237 HB3 HIS 32 HB3 HIS 32 6.142 -1.873 8.367 238 HD1 HIS 32 HD1 HIS 32 4.504 -2.640 6.512 239 HD2 HIS 32 HD2 HIS 32 4.064 1.333 7.643 240 HE1 HIS 32 HE1 HIS 32 3.060 -1.593 4.739 241 H GLY 33 H GLY 33 4.720 0.305 11.538 242 HA2 GLY 33 HA2 GLY 33 1.944 0.776 11.843 243 HA3 GLY 33 HA3 GLY 33 3.234 1.850 12.364 244 H GLY 34 H GLY 34 2.262 3.745 11.714 245 HA2 GLY 34 HA2 GLY 34 2.019 5.477 10.199 246 HA3 GLY 34 HA3 GLY 34 2.549 4.388 8.926 247 H CYS 35 H CYS 35 0.966 2.855 8.076 248 HA CYS 35 HA CYS 35 -1.691 4.086 7.995 249 HB2 CYS 35 HB2 CYS 35 -0.022 3.105 5.995 250 HB3 CYS 35 HB3 CYS 35 -1.265 1.869 6.158 251 H ALA 36 H ALA 36 -0.112 0.955 8.490 252 HA ALA 36 HA ALA 36 -2.459 -0.549 8.904 253 HB1 ALA 36 HB1 ALA 36 0.035 -1.278 8.534 254 HB2 ALA 36 HB2 ALA 36 0.071 -1.279 10.297 255 HB3 ALA 36 HB3 ALA 36 -1.081 -2.301 9.438 256 H LEU 37 H LEU 37 -0.512 1.438 11.033 257 HA LEU 37 HA LEU 37 -1.774 0.526 13.444 258 HB2 LEU 37 HB2 LEU 37 0.551 1.508 13.236 259 HB3 LEU 37 HB3 LEU 37 -0.229 3.079 13.065 260 HG LEU 37 HG LEU 37 -1.226 2.784 15.312 261 HD11 LEU 37 HD11 LEU 37 -0.468 0.117 14.950 262 HD12 LEU 37 HD12 LEU 37 -1.189 0.844 16.385 263 HD13 LEU 37 HD13 LEU 37 0.565 0.737 16.238 264 HD21 LEU 37 HD21 LEU 37 0.984 2.950 16.555 265 HD22 LEU 37 HD22 LEU 37 0.724 4.097 15.240 266 HD23 LEU 37 HD23 LEU 37 1.761 2.692 14.992 267 H SER 38 H SER 38 -2.070 3.357 11.340 268 HA SER 38 HA SER 38 -3.970 4.724 12.927 269 HB2 SER 38 HB2 SER 38 -2.556 5.250 10.575 270 HB3 SER 38 HB3 SER 38 -4.251 5.270 10.090 271 HG SER 38 HG SER 38 -3.516 7.319 10.830 272 H LYS 39 H LYS 39 -4.256 2.383 10.308 273 HA LYS 39 HA LYS 39 -7.119 2.579 10.167 274 HB2 LYS 39 HB2 LYS 39 -5.021 0.892 8.881 275 HB3 LYS 39 HB3 LYS 39 -6.681 0.310 8.865 276 HG2 LYS 39 HG2 LYS 39 -7.305 2.569 7.890 277 HG3 LYS 39 HG3 LYS 39 -5.575 2.818 7.642 278 HD2 LYS 39 HD2 LYS 39 -6.954 0.349 6.638 279 HD3 LYS 39 HD3 LYS 39 -6.959 1.845 5.702 280 HE2 LYS 39 HE2 LYS 39 -4.479 1.861 5.820 281 HE3 LYS 39 HE3 LYS 39 -4.542 0.295 6.627 282 HZ1 LYS 39 HZ1 LYS 39 -6.075 0.233 4.251 283 HZ2 LYS 39 HZ2 LYS 39 -4.736 -0.709 4.678 284 HZ3 LYS 39 HZ3 LYS 39 -4.512 0.778 3.905 285 H TYR 40 H TYR 40 -4.790 0.588 11.843 286 HA TYR 40 HA TYR 40 -6.340 -1.590 12.563 287 HB2 TYR 40 HB2 TYR 40 -4.009 -1.606 13.075 288 HB3 TYR 40 HB3 TYR 40 -4.149 -0.157 14.065 289 HD1 TYR 40 HD1 TYR 40 -5.440 -3.658 13.894 290 HD2 TYR 40 HD2 TYR 40 -4.289 -0.390 16.363 291 HE1 TYR 40 HE1 TYR 40 -5.759 -5.061 15.889 292 HE2 TYR 40 HE2 TYR 40 -4.605 -1.784 18.365 293 HH TYR 40 HH TYR 40 -5.694 -3.743 19.091 294 H LYS 41 H LYS 41 -6.193 1.626 14.000 295 HA LYS 41 HA LYS 41 -7.869 1.017 16.222 296 HB2 LYS 41 HB2 LYS 41 -7.022 3.611 14.938 297 HB3 LYS 41 HB3 LYS 41 -8.082 3.553 16.340 298 HG2 LYS 41 HG2 LYS 41 -6.010 1.960 17.129 299 HG3 LYS 41 HG3 LYS 41 -5.193 3.180 16.150 300 HD2 LYS 41 HD2 LYS 41 -6.429 4.922 17.480 301 HD3 LYS 41 HD3 LYS 41 -6.965 3.623 18.548 302 HE2 LYS 41 HE2 LYS 41 -4.909 3.353 19.473 303 HE3 LYS 41 HE3 LYS 41 -4.064 3.777 17.985 304 HZ1 LYS 41 HZ1 LYS 41 -3.630 5.561 19.359 305 HZ2 LYS 41 HZ2 LYS 41 -5.173 5.557 20.054 306 HZ3 LYS 41 HZ3 LYS 41 -4.958 6.124 18.475 307 H CYS 42 H CYS 42 -8.440 1.833 12.915 308 HA CYS 42 HA CYS 42 -11.172 2.671 13.322 309 HB2 CYS 42 HB2 CYS 42 -10.491 3.706 11.422 310 HB3 CYS 42 HB3 CYS 42 -9.306 2.460 11.046 311 H GLN 43 H GLN 43 -9.567 -0.140 11.839 312 HA GLN 43 HA GLN 43 -11.924 -1.575 11.287 313 HB2 GLN 43 HB2 GLN 43 -10.342 -3.577 11.265 314 HB3 GLN 43 HB3 GLN 43 -9.985 -2.270 10.145 315 HG2 GLN 43 HG2 GLN 43 -7.939 -2.166 10.963 316 HG3 GLN 43 HG3 GLN 43 -8.607 -1.678 12.520 317 HE21 GLN 43 HE22 GLN 43 -8.458 -4.699 10.655 318 HE22 GLN 43 HE21 GLN 43 -7.839 -5.664 11.948 319 H ASN 44 H ASN 44 -9.698 -1.696 14.050 320 HA ASN 44 HA ASN 44 -11.841 -2.963 15.611 321 HB2 ASN 44 HB2 ASN 44 -8.919 -3.742 15.733 322 HB3 ASN 44 HB3 ASN 44 -10.215 -4.419 16.715 323 HD21 ASN 44 HD22 ASN 44 -8.438 -5.830 14.978 324 HD22 ASN 44 HD21 ASN 44 -9.407 -6.588 13.765 325 HA PRO 45 HA PRO 45 -10.231 0.828 17.721 326 HB2 PRO 45 HB3 PRO 45 -12.683 1.730 18.456 327 HB3 PRO 45 HB2 PRO 45 -11.961 2.086 16.883 328 HG2 PRO 45 HG2 PRO 45 -13.994 0.011 17.608 329 HG3 PRO 45 HG3 PRO 45 -13.948 1.089 16.200 330 HD2 PRO 45 HD2 PRO 45 -13.174 -1.503 16.077 331 HD3 PRO 45 HD3 PRO 45 -12.433 -0.236 15.077 332 H ASN 46 H ASN 46 -11.856 -2.003 18.572 333 HA ASN 46 HA ASN 46 -11.841 -1.328 21.432 334 HB2 ASN 46 HB2 ASN 46 -13.441 -2.995 21.786 335 HB3 ASN 46 HB3 ASN 46 -13.911 -2.324 20.227 336 HD21 ASN 46 HD22 ASN 46 -13.910 -3.599 18.465 337 HD22 ASN 46 HD21 ASN 46 -13.469 -5.269 18.471 338 H HIS 47 H HIS 47 -10.217 -3.144 19.029 339 HA HIS 47 HA HIS 47 -9.104 -5.144 20.745 340 HB2 HIS 47 HB2 HIS 47 -8.611 -4.236 17.936 341 HB3 HIS 47 HB3 HIS 47 -7.424 -5.271 18.724 342 HD1 HIS 47 HD1 HIS 47 -11.231 -5.432 18.672 343 HD2 HIS 47 HD2 HIS 47 -7.902 -7.765 17.813 344 HE1 HIS 47 HE1 HIS 47 -12.140 -7.678 18.000 345 H GLU 48 H GLU 48 -6.693 -5.353 21.010 346 HA GLU 48 HA GLU 48 -5.448 -2.728 21.486 347 HB2 GLU 48 HB2 GLU 48 -6.285 -4.496 23.465 348 HB3 GLU 48 HB3 GLU 48 -4.556 -4.788 23.335 349 HG2 GLU 48 HG2 GLU 48 -4.641 -2.073 23.349 350 HG3 GLU 48 HG3 GLU 48 -6.006 -2.476 24.390 351 H LYS 49 H LYS 49 -3.770 -2.555 20.165 352 HA LYS 49 HA LYS 49 -2.505 -4.696 18.862 353 HB2 LYS 49 HB2 LYS 49 -2.298 -2.627 17.794 354 HB3 LYS 49 HB3 LYS 49 -1.811 -1.806 19.270 355 HG2 LYS 49 HG2 LYS 49 -0.006 -3.923 18.278 356 HG3 LYS 49 HG3 LYS 49 -0.105 -2.443 17.321 357 HD2 LYS 49 HD2 LYS 49 0.348 -2.404 20.293 358 HD3 LYS 49 HD3 LYS 49 1.679 -2.534 19.141 359 HE2 LYS 49 HE2 LYS 49 0.973 -0.438 18.094 360 HE3 LYS 49 HE3 LYS 49 -0.361 -0.312 19.240 361 HZ1 LYS 49 HZ1 LYS 49 0.993 0.393 20.866 362 HZ2 LYS 49 HZ2 LYS 49 2.028 0.822 19.598 363 HZ3 LYS 49 HZ3 LYS 49 2.262 -0.635 20.425 364 H LEU 50 H LEU 50 -0.684 -5.859 19.277 365 HA LEU 50 HA LEU 50 0.893 -6.914 20.534 366 HB2 LEU 50 HB2 LEU 50 1.715 -4.389 20.191 367 HB3 LEU 50 HB3 LEU 50 1.617 -4.418 21.951 368 HG LEU 50 HG LEU 50 3.022 -6.736 21.211 369 HD11 LEU 50 HD11 LEU 50 4.588 -4.541 20.037 370 HD12 LEU 50 HD12 LEU 50 3.232 -5.113 19.065 371 HD13 LEU 50 HD13 LEU 50 4.486 -6.241 19.578 372 HD21 LEU 50 HD21 LEU 50 4.803 -5.737 22.463 373 HD22 LEU 50 HD22 LEU 50 3.277 -5.305 23.233 374 HD23 LEU 50 HD23 LEU 50 4.125 -4.124 22.234 375 H GLY 51 H GLY 51 1.872 -6.773 23.009 376 HA2 GLY 51 HA2 GLY 51 0.533 -6.076 25.214 377 HA3 GLY 51 HA3 GLY 51 -0.458 -7.404 24.630 378 H TYR 52 H TYR 52 0.078 -9.410 25.215 379 HA TYR 52 HA TYR 52 2.825 -9.939 26.102 380 HB2 TYR 52 HB2 TYR 52 1.086 -9.462 27.999 381 HB3 TYR 52 HB3 TYR 52 0.526 -11.092 27.644 382 HD1 TYR 52 HD1 TYR 52 3.533 -9.146 28.631 383 HD2 TYR 52 HD2 TYR 52 1.647 -12.958 28.521 384 HE1 TYR 52 HE1 TYR 52 5.313 -10.060 30.061 385 HE2 TYR 52 HE2 TYR 52 3.421 -13.883 29.952 386 HH TYR 52 HH TYR 52 6.089 -13.038 30.353 387 H THR 53 H THR 53 1.592 -10.611 23.639 388 HA THR 53 HA THR 53 0.897 -13.431 23.816 389 HB THR 53 HB THR 53 -0.408 -12.124 22.264 390 HG1 THR 53 HG1 THR 53 -0.186 -13.478 20.523 391 HG21 THR 53 HG21 THR 53 0.441 -10.476 21.027 392 HG22 THR 53 HG22 THR 53 1.564 -11.584 20.240 393 HG23 THR 53 HG23 THR 53 2.014 -10.802 21.755 394 H HIS 54 H HIS 54 2.131 -15.108 23.077 395 HA HIS 54 HA HIS 54 4.959 -14.678 22.934 396 HB2 HIS 54 HB2 HIS 54 3.150 -17.051 22.892 397 HB3 HIS 54 HB3 HIS 54 4.791 -17.247 22.286 398 HD1 HIS 54 HD1 HIS 54 6.590 -17.579 23.988 399 HD2 HIS 54 HD2 HIS 54 3.056 -16.184 25.670 400 HE1 HIS 54 HE1 HIS 54 6.948 -17.669 26.476 401 H GLU 55 H GLU 55 2.404 -14.877 20.649 402 HA GLU 55 HA GLU 55 3.923 -15.751 18.407 403 HB2 GLU 55 HB2 GLU 55 1.430 -14.059 18.295 404 HB3 GLU 55 HB3 GLU 55 2.022 -15.192 17.089 405 HG2 GLU 55 HG2 GLU 55 1.732 -16.876 19.138 406 HG3 GLU 55 HG3 GLU 55 0.510 -15.684 19.576 407 H CYS 56 H CYS 56 3.550 -12.730 20.021 408 HA CYS 56 HA CYS 56 4.162 -10.963 17.920 409 HB2 CYS 56 HB2 CYS 56 3.714 -10.790 20.713 410 HB3 CYS 56 HB3 CYS 56 5.252 -9.998 20.389 411 H GLU 57 H GLU 57 6.084 -13.249 19.550 412 HA GLU 57 HA GLU 57 8.607 -12.118 19.587 413 HB2 GLU 57 HB2 GLU 57 8.164 -14.304 20.546 414 HB3 GLU 57 HB3 GLU 57 7.820 -14.966 18.954 415 HG2 GLU 57 HG2 GLU 57 9.970 -15.322 18.517 416 HG3 GLU 57 HG3 GLU 57 10.444 -13.731 19.110 417 H GLU 58 H GLU 58 6.866 -13.588 16.891 418 HA GLU 58 HA GLU 58 8.954 -13.631 15.028 419 HB2 GLU 58 HB2 GLU 58 5.985 -13.279 14.578 420 HB3 GLU 58 HB3 GLU 58 7.153 -13.640 13.314 421 HG2 GLU 58 HG2 GLU 58 7.746 -15.682 14.791 422 HG3 GLU 58 HG3 GLU 58 6.177 -15.377 15.535 423 H ALA 59 H ALA 59 6.994 -11.027 16.209 424 HA ALA 59 HA ALA 59 7.296 -9.182 14.121 425 HB1 ALA 59 HB1 ALA 59 5.740 -8.970 16.065 426 HB2 ALA 59 HB2 ALA 59 7.128 -8.509 17.052 427 HB3 ALA 59 HB3 ALA 59 6.644 -7.504 15.686 428 H ILE 60 H ILE 60 9.415 -10.054 16.784 429 HA ILE 60 HA ILE 60 11.205 -7.962 16.792 430 HB ILE 60 HB ILE 60 11.908 -10.886 17.072 431 HG12 ILE 60 HG12 ILE 60 10.109 -10.248 18.598 432 HG13 ILE 60 HG13 ILE 60 11.604 -10.504 19.490 433 HG21 ILE 60 HG21 ILE 60 13.596 -9.610 18.717 434 HG22 ILE 60 HG22 ILE 60 13.980 -9.982 17.038 435 HG23 ILE 60 HG23 ILE 60 13.405 -8.373 17.475 436 HD11 ILE 60 HD11 ILE 60 11.574 -7.790 18.829 437 HD12 ILE 60 HD12 ILE 60 9.937 -8.180 19.356 438 HD13 ILE 60 HD13 ILE 60 11.308 -8.519 20.413 439 H LYS 61 H LYS 61 11.206 -10.814 14.679 440 HA LYS 61 HA LYS 61 13.491 -9.841 13.193 441 HB2 LYS 61 HB2 LYS 61 13.155 -11.873 11.818 442 HB3 LYS 61 HB3 LYS 61 13.288 -12.230 13.535 443 HG2 LYS 61 HG2 LYS 61 10.906 -12.527 13.708 444 HG3 LYS 61 HG3 LYS 61 10.688 -12.025 12.030 445 HD2 LYS 61 HD2 LYS 61 10.726 -14.242 11.625 446 HD3 LYS 61 HD3 LYS 61 12.476 -14.035 11.726 447 HE2 LYS 61 HE2 LYS 61 12.618 -15.087 13.726 448 HE3 LYS 61 HE3 LYS 61 11.064 -14.468 14.282 449 HZ1 LYS 61 HZ1 LYS 61 10.537 -16.643 13.989 450 HZ2 LYS 61 HZ2 LYS 61 11.660 -16.883 12.746 451 HZ3 LYS 61 HZ3 LYS 61 10.200 -16.094 12.425 452 H ASN 62 H ASN 62 10.006 -10.035 12.815 453 HA ASN 62 HA ASN 62 9.858 -9.390 10.082 454 HB2 ASN 62 HB2 ASN 62 8.027 -9.684 12.296 455 HB3 ASN 62 HB3 ASN 62 7.588 -8.284 11.322 456 HD21 ASN 62 HD22 ASN 62 6.909 -11.388 11.729 457 HD22 ASN 62 HD21 ASN 62 6.485 -11.845 10.118 458 H ALA 63 H ALA 63 10.513 -7.469 12.874 459 HA ALA 63 HA ALA 63 9.875 -4.949 11.617 460 HB1 ALA 63 HB1 ALA 63 11.089 -4.054 13.701 461 HB2 ALA 63 HB2 ALA 63 9.558 -4.901 13.923 462 HB3 ALA 63 HB3 ALA 63 11.080 -5.731 14.247 463 HA PRO 64 HA PRO 64 13.722 -4.064 9.698 464 HB2 PRO 64 HB3 PRO 64 13.959 -1.395 10.135 465 HB3 PRO 64 HB2 PRO 64 12.793 -2.082 8.998 466 HG2 PRO 64 HG2 PRO 64 12.369 -1.138 11.807 467 HG3 PRO 64 HG3 PRO 64 11.356 -0.879 10.374 468 HD2 PRO 64 HD2 PRO 64 10.786 -2.755 12.241 469 HD3 PRO 64 HD3 PRO 64 10.392 -2.967 10.523 470 H ARG 65 H ARG 65 15.484 -4.931 10.642 471 HA ARG 65 HA ARG 65 16.333 -4.476 13.277 472 HB2 ARG 65 HB2 ARG 65 17.393 -5.815 10.888 473 HB3 ARG 65 HB3 ARG 65 18.632 -5.204 11.976 474 HG2 ARG 65 HG2 ARG 65 18.319 -7.316 12.799 475 HG3 ARG 65 HG3 ARG 65 17.200 -6.396 13.806 476 HD2 ARG 65 HD2 ARG 65 15.368 -7.004 12.266 477 HD3 ARG 65 HD3 ARG 65 16.503 -7.982 11.338 478 HE ARG 65 HE ARG 65 15.257 -8.675 13.825 479 HH11 ARG 65 HH11 ARG 65 18.039 -9.192 11.797 480 HH12 ARG 65 HH12 ARG 65 18.392 -10.755 12.457 481 HH21 ARG 65 HH22 ARG 65 15.711 -10.731 14.701 482 HH22 ARG 65 HH21 ARG 65 17.067 -11.629 14.108 483 HA PRO 66 HA PRO 66 18.554 -0.693 13.213 484 HB2 PRO 66 HB3 PRO 66 20.713 -1.253 14.761 485 HB3 PRO 66 HB2 PRO 66 19.081 -1.074 15.417 486 HG2 PRO 66 HG2 PRO 66 20.595 -3.571 14.760 487 HG3 PRO 66 HG3 PRO 66 19.591 -3.211 16.177 488 HD2 PRO 66 HD2 PRO 66 18.695 -4.693 14.095 489 HD3 PRO 66 HD3 PRO 66 17.626 -3.648 15.052 Start of MODEL 12 1 H1 VAL 1 H1 VAL 1 -3.774 -5.257 1.515 2 HA VAL 1 HA VAL 1 -2.141 -5.708 3.927 3 HB VAL 1 HB VAL 1 -3.781 -3.246 3.314 4 HG11 VAL 1 HG11 VAL 1 -1.986 -3.830 5.666 5 HG12 VAL 1 HG12 VAL 1 -2.919 -2.357 5.390 6 HG13 VAL 1 HG13 VAL 1 -3.748 -3.883 5.700 7 HG21 VAL 1 HG21 VAL 1 -1.623 -2.082 3.244 8 HG22 VAL 1 HG22 VAL 1 -0.791 -3.623 3.453 9 HG23 VAL 1 HG23 VAL 1 -1.735 -3.322 1.994 10 HA PRO 2 HA PRO 2 -5.800 -7.659 5.469 11 HB2 PRO 2 HB3 PRO 2 -5.034 -7.827 8.068 12 HB3 PRO 2 HB2 PRO 2 -4.387 -8.882 6.806 13 HG2 PRO 2 HG2 PRO 2 -3.188 -6.420 8.015 14 HG3 PRO 2 HG3 PRO 2 -2.411 -7.964 7.619 15 HD2 PRO 2 HD2 PRO 2 -2.202 -5.778 6.034 16 HD3 PRO 2 HD3 PRO 2 -2.206 -7.431 5.386 17 H VAL 3 H VAL 3 -7.680 -6.684 5.845 18 HA VAL 3 HA VAL 3 -7.865 -4.656 7.939 19 HB VAL 3 HB VAL 3 -7.532 -3.530 5.677 20 HG11 VAL 3 HG11 VAL 3 -10.414 -4.065 5.156 21 HG12 VAL 3 HG12 VAL 3 -9.126 -3.625 4.033 22 HG13 VAL 3 HG13 VAL 3 -9.224 -5.269 4.664 23 HG21 VAL 3 HG21 VAL 3 -8.880 -2.755 7.876 24 HG22 VAL 3 HG22 VAL 3 -8.657 -1.733 6.456 25 HG23 VAL 3 HG23 VAL 3 -10.160 -2.630 6.670 26 H GLY 4 H GLY 4 -8.863 -7.494 6.972 27 HA2 GLY 4 HA2 GLY 4 -10.768 -8.759 7.208 28 HA3 GLY 4 HA3 GLY 4 -11.138 -7.654 8.524 29 H SER 5 H SER 5 -12.925 -6.471 8.351 30 HA SER 5 HA SER 5 -13.866 -5.405 5.881 31 HB2 SER 5 HB2 SER 5 -14.546 -7.903 5.859 32 HB3 SER 5 HB3 SER 5 -15.724 -7.442 7.087 33 HG SER 5 HG SER 5 -15.860 -7.123 4.436 34 H ASP 6 H ASP 6 -13.249 -4.654 8.672 35 HA ASP 6 HA ASP 6 -15.856 -3.483 9.396 36 HB2 ASP 6 HB2 ASP 6 -14.397 -5.155 10.971 37 HB3 ASP 6 HB3 ASP 6 -13.776 -3.589 11.486 38 H CYS 7 H CYS 7 -12.619 -2.908 8.489 39 HA CYS 7 HA CYS 7 -12.886 -0.059 9.194 40 HB2 CYS 7 HB2 CYS 7 -11.000 -1.003 10.349 41 HB3 CYS 7 HB3 CYS 7 -10.410 -1.761 8.873 42 H GLU 8 H GLU 8 -12.546 1.479 7.636 43 HA GLU 8 HA GLU 8 -12.336 0.469 4.880 44 HB2 GLU 8 HB2 GLU 8 -14.439 1.601 5.327 45 HB3 GLU 8 HB3 GLU 8 -13.584 3.009 5.941 46 HG2 GLU 8 HG2 GLU 8 -13.455 3.872 3.912 47 HG3 GLU 8 HG3 GLU 8 -12.663 2.421 3.302 48 HA PRO 9 HA PRO 9 -8.316 2.531 5.286 49 HB2 PRO 9 HB3 PRO 9 -7.197 1.211 3.195 50 HB3 PRO 9 HB2 PRO 9 -7.324 0.513 4.813 51 HG2 PRO 9 HG2 PRO 9 -9.064 0.071 2.418 52 HG3 PRO 9 HG3 PRO 9 -8.441 -1.113 3.582 53 HD2 PRO 9 HD2 PRO 9 -10.971 -0.153 3.692 54 HD3 PRO 9 HD3 PRO 9 -10.061 -0.616 5.145 55 H LYS 10 H LYS 10 -8.209 4.544 4.529 56 HA LYS 10 HA LYS 10 -8.053 5.092 1.740 57 HB2 LYS 10 HB2 LYS 10 -10.593 4.884 2.342 58 HB3 LYS 10 HB3 LYS 10 -10.368 6.480 3.045 59 HG2 LYS 10 HG2 LYS 10 -9.244 6.880 0.640 60 HG3 LYS 10 HG3 LYS 10 -10.428 5.640 0.222 61 HD2 LYS 10 HD2 LYS 10 -12.148 7.057 0.454 62 HD3 LYS 10 HD3 LYS 10 -11.506 7.723 1.958 63 HE2 LYS 10 HE2 LYS 10 -10.163 9.278 0.818 64 HE3 LYS 10 HE3 LYS 10 -10.339 8.430 -0.718 65 HZ1 LYS 10 HZ1 LYS 10 -11.913 10.510 0.314 66 HZ2 LYS 10 HZ2 LYS 10 -12.889 9.137 0.165 67 HZ3 LYS 10 HZ3 LYS 10 -12.052 9.729 -1.180 68 H LEU 11 H LEU 11 -6.626 5.528 4.286 69 HA LEU 11 HA LEU 11 -5.555 8.048 3.791 70 HB2 LEU 11 HB2 LEU 11 -7.999 8.157 5.227 71 HB3 LEU 11 HB3 LEU 11 -6.701 8.581 6.342 72 HG LEU 11 HG LEU 11 -6.794 9.932 3.689 73 HD11 LEU 11 HD11 LEU 11 -8.979 9.959 5.529 74 HD12 LEU 11 HD12 LEU 11 -8.796 10.827 4.005 75 HD13 LEU 11 HD13 LEU 11 -8.212 11.547 5.505 76 HD21 LEU 11 HD21 LEU 11 -5.566 11.562 4.731 77 HD22 LEU 11 HD22 LEU 11 -5.049 10.142 5.641 78 HD23 LEU 11 HD23 LEU 11 -6.262 11.229 6.318 79 H CYS 12 H CYS 12 -3.546 7.794 4.480 80 HA CYS 12 HA CYS 12 -2.953 7.023 7.177 81 HB2 CYS 12 HB2 CYS 12 -1.583 5.045 6.586 82 HB3 CYS 12 HB3 CYS 12 -3.296 4.799 6.260 83 H THR 13 H THR 13 -0.583 7.018 7.585 84 HA THR 13 HA THR 13 0.853 8.696 5.633 85 HB THR 13 HB THR 13 2.012 9.730 7.644 86 HG1 THR 13 HG1 THR 13 0.468 9.635 9.542 87 HG21 THR 13 HG21 THR 13 -0.939 10.206 7.224 88 HG22 THR 13 HG22 THR 13 0.392 10.998 6.381 89 HG23 THR 13 HG23 THR 13 0.135 11.296 8.101 90 H MET 14 H MET 14 2.738 7.889 4.984 91 HA MET 14 HA MET 14 3.716 5.409 5.626 92 HB2 MET 14 HB2 MET 14 5.955 6.326 4.776 93 HB3 MET 14 HB3 MET 14 4.580 6.403 3.683 94 HG2 MET 14 HG2 MET 14 4.674 8.618 3.563 95 HG3 MET 14 HG3 MET 14 4.815 8.786 5.311 96 HE1 MET 14 HE1 MET 14 6.392 10.257 5.986 97 HE2 MET 14 HE2 MET 14 8.007 10.554 5.344 98 HE3 MET 14 HE3 MET 14 6.588 11.067 4.431 99 H ASP 15 H ASP 15 4.471 4.592 7.454 100 HA ASP 15 HA ASP 15 6.081 6.318 9.214 101 HB2 ASP 15 HB2 ASP 15 3.610 4.891 9.807 102 HB3 ASP 15 HB3 ASP 15 4.917 4.442 10.900 103 H LEU 16 H LEU 16 7.122 4.750 10.986 104 HA LEU 16 HA LEU 16 8.102 2.313 9.692 105 HB2 LEU 16 HB2 LEU 16 10.422 2.910 10.406 106 HB3 LEU 16 HB3 LEU 16 9.769 3.883 9.090 107 HG LEU 16 HG LEU 16 9.494 4.967 11.836 108 HD11 LEU 16 HD11 LEU 16 11.755 4.126 11.925 109 HD12 LEU 16 HD12 LEU 16 11.781 5.881 11.759 110 HD13 LEU 16 HD13 LEU 16 12.122 4.858 10.363 111 HD21 LEU 16 HD21 LEU 16 10.581 6.749 9.899 112 HD22 LEU 16 HD22 LEU 16 8.989 6.776 10.658 113 HD23 LEU 16 HD23 LEU 16 9.240 5.867 9.167 114 H VAL 17 H VAL 17 6.252 2.429 11.739 115 HA VAL 17 HA VAL 17 7.809 1.335 13.985 116 HB VAL 17 HB VAL 17 5.260 2.924 14.295 117 HG11 VAL 17 HG11 VAL 17 6.275 2.917 16.728 118 HG12 VAL 17 HG12 VAL 17 5.288 1.576 16.144 119 HG13 VAL 17 HG13 VAL 17 7.047 1.439 16.154 120 HG21 VAL 17 HG21 VAL 17 7.319 4.274 15.579 121 HG22 VAL 17 HG22 VAL 17 8.008 3.792 14.029 122 HG23 VAL 17 HG23 VAL 17 6.526 4.746 14.077 123 HA PRO 18 HA PRO 18 4.892 -1.889 12.501 124 HB2 PRO 18 HB3 PRO 18 6.573 -3.951 13.039 125 HB3 PRO 18 HB2 PRO 18 6.643 -3.022 11.537 126 HG2 PRO 18 HG2 PRO 18 8.329 -2.774 13.998 127 HG3 PRO 18 HG3 PRO 18 8.822 -2.731 12.295 128 HD2 PRO 18 HD2 PRO 18 8.524 -0.488 13.782 129 HD3 PRO 18 HD3 PRO 18 8.194 -0.528 12.038 130 H HIS 19 H HIS 19 3.709 -3.429 13.677 131 HA HIS 19 HA HIS 19 4.360 -4.082 16.390 132 HB2 HIS 19 HB2 HIS 19 2.597 -1.812 15.818 133 HB3 HIS 19 HB3 HIS 19 1.873 -3.011 16.886 134 HD1 HIS 19 HD1 HIS 19 4.319 -3.806 18.550 135 HD2 HIS 19 HD2 HIS 19 3.351 0.116 17.579 136 HE1 HIS 19 HE1 HIS 19 5.434 -2.385 20.300 137 H CYS 20 H CYS 20 2.312 -5.174 17.435 138 HA CYS 20 HA CYS 20 1.284 -7.025 15.407 139 HB2 CYS 20 HB2 CYS 20 1.136 -7.383 18.398 140 HB3 CYS 20 HB3 CYS 20 0.988 -8.615 17.149 141 H PHE 21 H PHE 21 -0.908 -7.577 15.299 142 HA PHE 21 HA PHE 21 -2.813 -6.115 16.932 143 HB2 PHE 21 HB2 PHE 21 -2.583 -5.736 13.945 144 HB3 PHE 21 HB3 PHE 21 -4.032 -5.324 14.855 145 HD1 PHE 21 HD1 PHE 21 -3.822 -3.624 16.727 146 HD2 PHE 21 HD2 PHE 21 -0.802 -4.242 13.792 147 HE1 PHE 21 HE1 PHE 21 -2.871 -1.415 17.247 148 HE2 PHE 21 HE2 PHE 21 0.155 -2.035 14.307 149 HZ PHE 21 HZ PHE 21 -0.879 -0.618 16.037 150 H LEU 22 H LEU 22 -5.058 -6.821 16.525 151 HA LEU 22 HA LEU 22 -5.115 -9.612 15.585 152 HB2 LEU 22 HB2 LEU 22 -5.950 -8.413 18.035 153 HB3 LEU 22 HB3 LEU 22 -7.367 -9.054 17.206 154 HG LEU 22 HG LEU 22 -6.320 -10.608 18.858 155 HD11 LEU 22 HD11 LEU 22 -5.953 -12.282 16.614 156 HD12 LEU 22 HD12 LEU 22 -7.213 -11.119 16.201 157 HD13 LEU 22 HD13 LEU 22 -7.380 -12.124 17.640 158 HD21 LEU 22 HD21 LEU 22 -4.168 -11.169 16.880 159 HD22 LEU 22 HD22 LEU 22 -4.212 -11.463 18.618 160 HD23 LEU 22 HD23 LEU 22 -3.955 -9.829 18.007 161 H ASN 23 H ASN 23 -6.179 -9.903 13.752 162 HA ASN 23 HA ASN 23 -8.265 -7.977 12.998 163 HB2 ASN 23 HB2 ASN 23 -6.106 -8.927 11.559 164 HB3 ASN 23 HB3 ASN 23 -7.446 -9.891 10.944 165 HD21 ASN 23 HD22 ASN 23 -8.152 -9.055 9.127 166 HD22 ASN 23 HD21 ASN 23 -8.397 -7.375 8.803 167 HA PRO 24 HA PRO 24 -11.411 -10.997 13.606 168 HB2 PRO 24 HB3 PRO 24 -13.309 -9.972 11.957 169 HB3 PRO 24 HB2 PRO 24 -12.897 -9.246 13.516 170 HG2 PRO 24 HG2 PRO 24 -12.008 -8.462 10.767 171 HG3 PRO 24 HG3 PRO 24 -12.526 -7.430 12.112 172 HD2 PRO 24 HD2 PRO 24 -9.918 -7.817 11.494 173 HD3 PRO 24 HD3 PRO 24 -10.475 -7.548 13.158 174 H GLU 25 H GLU 25 -10.083 -10.305 10.475 175 HA GLU 25 HA GLU 25 -11.256 -12.778 9.396 176 HB2 GLU 25 HB2 GLU 25 -11.348 -10.357 8.259 177 HB3 GLU 25 HB3 GLU 25 -9.797 -10.889 7.626 178 HG2 GLU 25 HG2 GLU 25 -12.237 -12.607 7.398 179 HG3 GLU 25 HG3 GLU 25 -11.902 -11.326 6.235 180 H LYS 26 H LYS 26 -8.478 -11.598 10.772 181 HA LYS 26 HA LYS 26 -6.891 -13.764 9.580 182 HB2 LYS 26 HB2 LYS 26 -5.694 -11.090 10.286 183 HB3 LYS 26 HB3 LYS 26 -4.954 -12.403 9.380 184 HG2 LYS 26 HG2 LYS 26 -7.221 -11.765 7.920 185 HG3 LYS 26 HG3 LYS 26 -6.588 -10.206 8.455 186 HD2 LYS 26 HD2 LYS 26 -5.453 -10.546 6.465 187 HD3 LYS 26 HD3 LYS 26 -4.303 -11.152 7.659 188 HE2 LYS 26 HE2 LYS 26 -5.489 -13.432 7.232 189 HE3 LYS 26 HE3 LYS 26 -6.024 -12.666 5.737 190 HZ1 LYS 26 HZ1 LYS 26 -3.877 -12.504 4.951 191 HZ2 LYS 26 HZ2 LYS 26 -3.833 -13.992 5.755 192 HZ3 LYS 26 HZ3 LYS 26 -3.176 -12.616 6.486 193 H GLY 27 H GLY 27 -6.338 -11.264 12.064 194 HA2 GLY 27 HA2 GLY 27 -6.566 -11.879 14.433 195 HA3 GLY 27 HA3 GLY 27 -5.912 -13.453 14.003 196 H ILE 28 H ILE 28 -4.147 -13.427 15.333 197 HA ILE 28 HA ILE 28 -2.443 -11.331 15.884 198 HB ILE 28 HB ILE 28 -2.155 -13.281 17.167 199 HG12 ILE 28 HG12 ILE 28 0.203 -13.734 17.020 200 HG13 ILE 28 HG13 ILE 28 0.237 -13.283 15.319 201 HG21 ILE 28 HG21 ILE 28 -1.115 -15.322 15.703 202 HG22 ILE 28 HG22 ILE 28 -2.814 -15.167 16.147 203 HG23 ILE 28 HG23 ILE 28 -2.264 -14.622 14.563 204 HD11 ILE 28 HD11 ILE 28 0.554 -11.145 15.806 205 HD12 ILE 28 HD12 ILE 28 -0.758 -11.139 16.985 206 HD13 ILE 28 HD13 ILE 28 0.856 -11.667 17.463 207 H VAL 29 H VAL 29 -1.693 -10.023 14.315 208 HA VAL 29 HA VAL 29 0.195 -11.165 12.408 209 HB VAL 29 HB VAL 29 -2.094 -9.392 11.542 210 HG11 VAL 29 HG11 VAL 29 -1.059 -9.945 9.240 211 HG12 VAL 29 HG12 VAL 29 -0.308 -8.692 10.231 212 HG13 VAL 29 HG13 VAL 29 0.401 -10.306 10.161 213 HG21 VAL 29 HG21 VAL 29 -2.722 -11.745 11.888 214 HG22 VAL 29 HG22 VAL 29 -2.795 -11.283 10.188 215 HG23 VAL 29 HG23 VAL 29 -1.439 -12.240 10.785 216 H VAL 30 H VAL 30 1.855 -9.803 11.865 217 HA VAL 30 HA VAL 30 1.915 -7.235 13.297 218 HB VAL 30 HB VAL 30 3.703 -8.625 14.022 219 HG11 VAL 30 HG11 VAL 30 3.718 -10.256 12.245 220 HG12 VAL 30 HG12 VAL 30 4.333 -9.058 11.105 221 HG13 VAL 30 HG13 VAL 30 5.342 -9.600 12.447 222 HG21 VAL 30 HG21 VAL 30 5.499 -7.206 13.706 223 HG22 VAL 30 HG22 VAL 30 5.108 -6.920 12.010 224 HG23 VAL 30 HG23 VAL 30 4.139 -6.168 13.277 225 H VAL 31 H VAL 31 2.317 -5.346 12.253 226 HA VAL 31 HA VAL 31 3.005 -5.415 9.408 227 HB VAL 31 HB VAL 31 1.260 -3.659 8.961 228 HG11 VAL 31 HG11 VAL 31 0.338 -6.412 9.775 229 HG12 VAL 31 HG12 VAL 31 -0.600 -5.287 8.792 230 HG13 VAL 31 HG13 VAL 31 0.933 -5.918 8.190 231 HG21 VAL 31 HG21 VAL 31 0.968 -3.261 11.497 232 HG22 VAL 31 HG22 VAL 31 -0.458 -3.206 10.460 233 HG23 VAL 31 HG23 VAL 31 -0.126 -4.642 11.429 234 H HIS 32 H HIS 32 3.957 -3.508 8.617 235 HA HIS 32 HA HIS 32 5.341 -1.977 10.631 236 HB2 HIS 32 HB2 HIS 32 6.648 -1.091 8.838 237 HB3 HIS 32 HB3 HIS 32 6.398 -2.800 8.492 238 HD1 HIS 32 HD1 HIS 32 4.676 -3.363 6.569 239 HD2 HIS 32 HD2 HIS 32 5.664 0.655 6.948 240 HE1 HIS 32 HE1 HIS 32 3.907 -2.277 4.435 241 H GLY 33 H GLY 33 5.296 0.296 10.853 242 HA2 GLY 33 HA2 GLY 33 2.818 1.493 10.981 243 HA3 GLY 33 HA3 GLY 33 4.332 2.383 10.899 244 H GLY 34 H GLY 34 1.603 2.847 9.713 245 HA2 GLY 34 HA2 GLY 34 1.949 4.329 7.595 246 HA3 GLY 34 HA3 GLY 34 2.249 2.765 6.851 247 H CYS 35 H CYS 35 0.565 1.796 5.944 248 HA CYS 35 HA CYS 35 -2.106 2.842 6.481 249 HB2 CYS 35 HB2 CYS 35 -0.754 1.788 4.180 250 HB3 CYS 35 HB3 CYS 35 -2.195 0.826 4.492 251 H ALA 36 H ALA 36 -0.323 -0.211 6.532 252 HA ALA 36 HA ALA 36 -2.493 -1.858 7.271 253 HB1 ALA 36 HB1 ALA 36 -0.795 -3.500 7.894 254 HB2 ALA 36 HB2 ALA 36 -0.429 -2.758 6.336 255 HB3 ALA 36 HB3 ALA 36 0.452 -2.258 7.780 256 H LEU 37 H LEU 37 -0.311 0.165 9.106 257 HA LEU 37 HA LEU 37 -1.021 -0.932 11.660 258 HB2 LEU 37 HB2 LEU 37 1.147 0.170 11.198 259 HB3 LEU 37 HB3 LEU 37 0.295 1.701 11.008 260 HG LEU 37 HG LEU 37 -0.482 0.833 13.515 261 HD11 LEU 37 HD11 LEU 37 2.410 0.655 13.807 262 HD12 LEU 37 HD12 LEU 37 1.713 -0.706 12.929 263 HD13 LEU 37 HD13 LEU 37 1.132 -0.310 14.546 264 HD21 LEU 37 HD21 LEU 37 1.810 2.673 12.843 265 HD22 LEU 37 HD22 LEU 37 0.840 2.680 14.316 266 HD23 LEU 37 HD23 LEU 37 0.105 3.120 12.775 267 H SER 38 H SER 38 -1.881 1.990 9.842 268 HA SER 38 HA SER 38 -3.514 3.174 11.782 269 HB2 SER 38 HB2 SER 38 -2.832 3.653 9.056 270 HB3 SER 38 HB3 SER 38 -4.588 3.733 9.197 271 HG SER 38 HG SER 38 -4.180 5.678 9.896 272 H LYS 39 H LYS 39 -4.389 1.043 9.070 273 HA LYS 39 HA LYS 39 -7.121 0.937 9.438 274 HB2 LYS 39 HB2 LYS 39 -5.248 -1.261 8.548 275 HB3 LYS 39 HB3 LYS 39 -6.998 -1.329 8.391 276 HG2 LYS 39 HG2 LYS 39 -7.039 0.359 6.782 277 HG3 LYS 39 HG3 LYS 39 -5.414 0.913 7.191 278 HD2 LYS 39 HD2 LYS 39 -4.902 -1.644 6.473 279 HD3 LYS 39 HD3 LYS 39 -6.284 -1.287 5.434 280 HE2 LYS 39 HE2 LYS 39 -4.568 0.956 5.345 281 HE3 LYS 39 HE3 LYS 39 -3.558 -0.476 5.152 282 HZ1 LYS 39 HZ1 LYS 39 -5.218 0.736 3.256 283 HZ2 LYS 39 HZ2 LYS 39 -5.853 -0.798 3.583 284 HZ3 LYS 39 HZ3 LYS 39 -4.248 -0.638 3.071 285 H TYR 40 H TYR 40 -4.669 -1.201 10.884 286 HA TYR 40 HA TYR 40 -6.353 -2.831 12.359 287 HB2 TYR 40 HB2 TYR 40 -3.509 -1.999 12.591 288 HB3 TYR 40 HB3 TYR 40 -4.237 -2.760 14.002 289 HD1 TYR 40 HD1 TYR 40 -5.900 -4.842 13.026 290 HD2 TYR 40 HD2 TYR 40 -2.179 -3.500 11.458 291 HE1 TYR 40 HE1 TYR 40 -5.529 -7.058 12.026 292 HE2 TYR 40 HE2 TYR 40 -1.799 -5.713 10.453 293 HH TYR 40 HH TYR 40 -3.952 -8.414 11.088 294 H LYS 41 H LYS 41 -5.259 0.423 13.009 295 HA LYS 41 HA LYS 41 -6.249 0.441 15.720 296 HB2 LYS 41 HB2 LYS 41 -4.493 2.036 14.188 297 HB3 LYS 41 HB3 LYS 41 -5.831 3.078 14.653 298 HG2 LYS 41 HG2 LYS 41 -5.482 2.389 17.009 299 HG3 LYS 41 HG3 LYS 41 -4.058 1.484 16.491 300 HD2 LYS 41 HD2 LYS 41 -2.810 3.347 16.239 301 HD3 LYS 41 HD3 LYS 41 -4.159 4.286 15.595 302 HE2 LYS 41 HE2 LYS 41 -5.018 4.096 18.084 303 HE3 LYS 41 HE3 LYS 41 -3.302 3.863 18.415 304 HZ1 LYS 41 HZ1 LYS 41 -3.655 6.034 16.644 305 HZ2 LYS 41 HZ2 LYS 41 -2.964 6.025 18.188 306 HZ3 LYS 41 HZ3 LYS 41 -4.629 6.260 18.008 307 H CYS 42 H CYS 42 -7.452 1.177 12.563 308 HA CYS 42 HA CYS 42 -9.649 2.799 13.483 309 HB2 CYS 42 HB2 CYS 42 -9.370 3.443 11.342 310 HB3 CYS 42 HB3 CYS 42 -8.545 1.949 10.909 311 H GLN 43 H GLN 43 -9.249 -0.506 12.251 312 HA GLN 43 HA GLN 43 -11.940 -1.263 12.338 313 HB2 GLN 43 HB2 GLN 43 -10.948 -3.619 12.602 314 HB3 GLN 43 HB3 GLN 43 -10.525 -2.707 11.160 315 HG2 GLN 43 HG2 GLN 43 -8.375 -2.882 11.629 316 HG3 GLN 43 HG3 GLN 43 -8.624 -2.148 13.213 317 HE21 GLN 43 HE22 GLN 43 -9.815 -5.208 11.905 318 HE22 GLN 43 HE21 GLN 43 -9.060 -6.212 13.090 319 H ASN 44 H ASN 44 -9.399 -1.492 14.798 320 HA ASN 44 HA ASN 44 -11.471 -1.650 16.851 321 HB2 ASN 44 HB2 ASN 44 -9.133 -3.568 16.805 322 HB3 ASN 44 HB3 ASN 44 -10.446 -3.527 17.977 323 HD21 ASN 44 HD22 ASN 44 -9.319 -5.280 15.572 324 HD22 ASN 44 HD21 ASN 44 -10.782 -5.889 14.883 325 HA PRO 45 HA PRO 45 -8.098 1.329 17.896 326 HB2 PRO 45 HB3 PRO 45 -9.782 3.241 18.833 327 HB3 PRO 45 HB2 PRO 45 -9.364 3.084 17.123 328 HG2 PRO 45 HG2 PRO 45 -11.805 2.132 18.571 329 HG3 PRO 45 HG3 PRO 45 -11.680 2.925 16.990 330 HD2 PRO 45 HD2 PRO 45 -12.000 0.250 17.256 331 HD3 PRO 45 HD3 PRO 45 -11.087 0.973 15.917 332 H ASN 46 H ASN 46 -10.447 -0.447 19.551 333 HA ASN 46 HA ASN 46 -9.442 0.441 22.170 334 HB2 ASN 46 HB2 ASN 46 -11.818 0.655 22.090 335 HB3 ASN 46 HB3 ASN 46 -12.004 -0.944 21.376 336 HD21 ASN 46 HD22 ASN 46 -11.845 -2.759 22.670 337 HD22 ASN 46 HD21 ASN 46 -11.901 -2.673 24.395 338 H HIS 47 H HIS 47 -9.331 -2.082 19.910 339 HA HIS 47 HA HIS 47 -9.113 -4.370 21.464 340 HB2 HIS 47 HB2 HIS 47 -8.358 -3.560 18.770 341 HB3 HIS 47 HB3 HIS 47 -7.231 -4.729 19.451 342 HD1 HIS 47 HD1 HIS 47 -8.049 -6.556 17.810 343 HD2 HIS 47 HD2 HIS 47 -11.000 -5.096 20.343 344 HE1 HIS 47 HE1 HIS 47 -9.969 -8.166 17.603 345 H GLU 48 H GLU 48 -7.061 -5.625 21.856 346 HA GLU 48 HA GLU 48 -5.153 -3.864 23.204 347 HB2 GLU 48 HB2 GLU 48 -6.389 -5.953 24.237 348 HB3 GLU 48 HB3 GLU 48 -5.083 -6.840 23.464 349 HG2 GLU 48 HG2 GLU 48 -3.466 -5.399 24.681 350 HG3 GLU 48 HG3 GLU 48 -4.826 -4.682 25.542 351 H LYS 49 H LYS 49 -3.649 -3.215 21.762 352 HA LYS 49 HA LYS 49 -2.662 -4.728 19.613 353 HB2 LYS 49 HB2 LYS 49 -2.449 -2.295 19.714 354 HB3 LYS 49 HB3 LYS 49 -1.373 -2.430 21.098 355 HG2 LYS 49 HG2 LYS 49 0.127 -3.815 19.545 356 HG3 LYS 49 HG3 LYS 49 -0.852 -3.145 18.238 357 HD2 LYS 49 HD2 LYS 49 0.678 -1.549 20.293 358 HD3 LYS 49 HD3 LYS 49 1.173 -1.819 18.620 359 HE2 LYS 49 HE2 LYS 49 -0.047 -0.085 17.961 360 HE3 LYS 49 HE3 LYS 49 -1.498 -0.829 18.631 361 HZ1 LYS 49 HZ1 LYS 49 0.000 1.379 19.609 362 HZ2 LYS 49 HZ2 LYS 49 -0.131 0.177 20.792 363 HZ3 LYS 49 HZ3 LYS 49 -1.525 0.825 20.087 364 H LEU 50 H LEU 50 -1.755 -6.670 19.915 365 HA LEU 50 HA LEU 50 -0.439 -7.614 22.148 366 HB2 LEU 50 HB2 LEU 50 -0.383 -8.343 19.260 367 HB3 LEU 50 HB3 LEU 50 0.781 -9.094 20.348 368 HG LEU 50 HG LEU 50 -1.148 -10.532 20.008 369 HD11 LEU 50 HD11 LEU 50 -1.900 -10.042 22.672 370 HD12 LEU 50 HD12 LEU 50 -0.199 -9.598 22.539 371 HD13 LEU 50 HD13 LEU 50 -0.727 -11.215 22.073 372 HD21 LEU 50 HD21 LEU 50 -2.705 -8.536 19.619 373 HD22 LEU 50 HD22 LEU 50 -2.863 -8.484 21.375 374 HD23 LEU 50 HD23 LEU 50 -3.354 -9.927 20.488 375 H GLY 51 H GLY 51 1.653 -7.657 22.873 376 HA2 GLY 51 HA2 GLY 51 3.851 -6.688 21.314 377 HA3 GLY 51 HA3 GLY 51 3.315 -5.505 22.497 378 H TYR 52 H TYR 52 5.791 -7.250 22.168 379 HA TYR 52 HA TYR 52 7.237 -8.439 23.468 380 HB2 TYR 52 HB2 TYR 52 6.938 -6.299 24.776 381 HB3 TYR 52 HB3 TYR 52 5.775 -7.157 25.780 382 HD1 TYR 52 HD2 TYR 52 9.156 -8.007 24.417 383 HD2 TYR 52 HD1 TYR 52 6.662 -7.650 27.846 384 HE1 TYR 52 HE2 TYR 52 10.992 -8.830 25.832 385 HE2 TYR 52 HE1 TYR 52 8.492 -8.470 29.270 386 HH TYR 52 HH TYR 52 11.251 -8.426 28.928 387 H THR 53 H THR 53 5.135 -9.983 22.650 388 HA THR 53 HA THR 53 4.811 -11.790 24.942 389 HB THR 53 HB THR 53 2.676 -10.673 24.753 390 HG1 THR 53 HG1 THR 53 2.414 -12.826 25.207 391 HG21 THR 53 HG21 THR 53 3.123 -11.110 21.864 392 HG22 THR 53 HG22 THR 53 2.319 -9.781 22.698 393 HG23 THR 53 HG23 THR 53 1.465 -11.301 22.435 394 H HIS 54 H HIS 54 4.321 -14.020 24.311 395 HA HIS 54 HA HIS 54 6.059 -14.991 22.359 396 HB2 HIS 54 HB2 HIS 54 3.753 -16.214 23.847 397 HB3 HIS 54 HB3 HIS 54 4.605 -17.130 22.607 398 HD1 HIS 54 HD1 HIS 54 4.555 -17.648 25.793 399 HD2 HIS 54 HD2 HIS 54 7.653 -16.026 23.551 400 HE1 HIS 54 HE1 HIS 54 6.642 -18.061 27.133 401 H GLU 55 H GLU 55 2.857 -13.772 22.077 402 HA GLU 55 HA GLU 55 2.244 -15.088 19.594 403 HB2 GLU 55 HB2 GLU 55 0.922 -12.690 20.875 404 HB3 GLU 55 HB3 GLU 55 0.270 -13.649 19.554 405 HG2 GLU 55 HG2 GLU 55 0.925 -15.323 21.800 406 HG3 GLU 55 HG3 GLU 55 -0.152 -14.013 22.281 407 H CYS 56 H CYS 56 4.000 -12.310 20.542 408 HA CYS 56 HA CYS 56 3.763 -11.015 17.946 409 HB2 CYS 56 HB2 CYS 56 4.822 -10.267 20.612 410 HB3 CYS 56 HB3 CYS 56 5.634 -9.552 19.223 411 H GLU 57 H GLU 57 5.245 -13.661 18.721 412 HA GLU 57 HA GLU 57 7.968 -13.406 18.344 413 HB2 GLU 57 HB2 GLU 57 6.020 -15.526 18.204 414 HB3 GLU 57 HB3 GLU 57 7.220 -15.723 16.935 415 HG2 GLU 57 HG2 GLU 57 8.356 -15.070 19.545 416 HG3 GLU 57 HG3 GLU 57 7.473 -16.595 19.504 417 H GLU 58 H GLU 58 5.410 -13.599 15.906 418 HA GLU 58 HA GLU 58 7.103 -13.676 13.652 419 HB2 GLU 58 HB2 GLU 58 4.233 -12.873 14.055 420 HB3 GLU 58 HB3 GLU 58 5.006 -12.726 12.483 421 HG2 GLU 58 HG2 GLU 58 5.564 -15.157 12.623 422 HG3 GLU 58 HG3 GLU 58 4.572 -15.237 14.077 423 H ALA 59 H ALA 59 6.032 -11.090 15.698 424 HA ALA 59 HA ALA 59 6.482 -8.928 13.933 425 HB1 ALA 59 HB1 ALA 59 6.987 -8.192 16.661 426 HB2 ALA 59 HB2 ALA 59 5.628 -7.766 15.620 427 HB3 ALA 59 HB3 ALA 59 5.581 -9.253 16.567 428 H ILE 60 H ILE 60 8.604 -10.932 15.776 429 HA ILE 60 HA ILE 60 10.800 -9.219 16.090 430 HB ILE 60 HB ILE 60 10.821 -12.211 15.672 431 HG12 ILE 60 HG12 ILE 60 10.844 -10.616 18.243 432 HG13 ILE 60 HG13 ILE 60 9.423 -11.414 17.578 433 HG21 ILE 60 HG21 ILE 60 13.017 -11.301 15.304 434 HG22 ILE 60 HG22 ILE 60 12.911 -10.345 16.781 435 HG23 ILE 60 HG23 ILE 60 12.988 -12.104 16.874 436 HD11 ILE 60 HD11 ILE 60 11.953 -12.743 18.517 437 HD12 ILE 60 HD12 ILE 60 10.384 -12.761 19.322 438 HD13 ILE 60 HD13 ILE 60 10.589 -13.573 17.770 439 H LYS 61 H LYS 61 9.857 -11.326 13.411 440 HA LYS 61 HA LYS 61 12.198 -10.613 11.864 441 HB2 LYS 61 HB2 LYS 61 11.123 -12.020 10.101 442 HB3 LYS 61 HB3 LYS 61 11.393 -12.861 11.622 443 HG2 LYS 61 HG2 LYS 61 9.068 -12.635 12.212 444 HG3 LYS 61 HG3 LYS 61 8.766 -11.660 10.772 445 HD2 LYS 61 HD2 LYS 61 9.824 -14.475 10.642 446 HD3 LYS 61 HD3 LYS 61 8.099 -14.103 10.639 447 HE2 LYS 61 HE2 LYS 61 8.348 -14.018 8.409 448 HE3 LYS 61 HE3 LYS 61 9.012 -12.414 8.716 449 HZ1 LYS 61 HZ1 LYS 61 10.289 -14.389 7.402 450 HZ2 LYS 61 HZ2 LYS 61 10.935 -14.545 8.958 451 HZ3 LYS 61 HZ3 LYS 61 11.052 -13.070 8.138 452 H ASN 62 H ASN 62 8.761 -9.853 11.932 453 HA ASN 62 HA ASN 62 8.649 -8.427 9.504 454 HB2 ASN 62 HB2 ASN 62 6.730 -9.279 11.044 455 HB3 ASN 62 HB3 ASN 62 6.924 -7.732 11.863 456 HD21 ASN 62 HD22 ASN 62 6.812 -5.797 10.472 457 HD22 ASN 62 HD21 ASN 62 5.695 -5.809 9.154 458 H ALA 63 H ALA 63 9.116 -7.325 12.852 459 HA ALA 63 HA ALA 63 9.575 -4.600 12.001 460 HB1 ALA 63 HB1 ALA 63 8.467 -4.766 14.060 461 HB2 ALA 63 HB2 ALA 63 9.598 -5.973 14.671 462 HB3 ALA 63 HB3 ALA 63 10.117 -4.299 14.475 463 HA PRO 64 HA PRO 64 13.942 -4.699 11.575 464 HB2 PRO 64 HB3 PRO 64 14.644 -2.271 12.564 465 HB3 PRO 64 HB2 PRO 64 13.826 -2.475 11.011 466 HG2 PRO 64 HG2 PRO 64 12.678 -1.726 13.672 467 HG3 PRO 64 HG3 PRO 64 12.330 -1.045 12.072 468 HD2 PRO 64 HD2 PRO 64 10.705 -2.847 13.274 469 HD3 PRO 64 HD3 PRO 64 10.904 -2.767 11.512 470 H ARG 65 H ARG 65 15.587 -5.566 12.685 471 HA ARG 65 HA ARG 65 15.412 -5.614 15.606 472 HB2 ARG 65 HB2 ARG 65 16.545 -7.400 13.538 473 HB3 ARG 65 HB3 ARG 65 17.455 -7.292 15.039 474 HG2 ARG 65 HG2 ARG 65 15.154 -7.724 16.161 475 HG3 ARG 65 HG3 ARG 65 14.699 -8.332 14.568 476 HD2 ARG 65 HD2 ARG 65 17.192 -9.466 15.102 477 HD3 ARG 65 HD3 ARG 65 16.305 -9.568 16.622 478 HE ARG 65 HE ARG 65 14.643 -10.426 14.527 479 HH11 ARG 65 HH11 ARG 65 17.481 -11.419 16.281 480 HH12 ARG 65 HH12 ARG 65 17.198 -13.111 16.040 481 HH21 ARG 65 HH22 ARG 65 14.259 -12.651 14.203 482 HH22 ARG 65 HH21 ARG 65 15.365 -13.811 14.857 483 HA PRO 66 HA PRO 66 18.873 -3.012 16.305 484 HB2 PRO 66 HB3 PRO 66 20.139 -4.257 18.359 485 HB3 PRO 66 HB2 PRO 66 18.600 -3.410 18.552 486 HG2 PRO 66 HG2 PRO 66 19.122 -6.340 18.230 487 HG3 PRO 66 HG3 PRO 66 18.003 -5.517 19.333 488 HD2 PRO 66 HD2 PRO 66 17.186 -6.677 17.027 489 HD3 PRO 66 HD3 PRO 66 16.403 -5.232 17.699 Start of MODEL 13 1 H1 VAL 1 H1 VAL 1 -8.441 -10.865 2.156 2 HA VAL 1 HA VAL 1 -5.654 -10.208 1.500 3 HB VAL 1 HB VAL 1 -7.013 -9.104 -0.188 4 HG11 VAL 1 HG11 VAL 1 -8.383 -7.165 1.399 5 HG12 VAL 1 HG12 VAL 1 -9.045 -8.323 0.244 6 HG13 VAL 1 HG13 VAL 1 -8.842 -8.781 1.935 7 HG21 VAL 1 HG21 VAL 1 -6.354 -6.748 0.278 8 HG22 VAL 1 HG22 VAL 1 -5.915 -7.242 1.913 9 HG23 VAL 1 HG23 VAL 1 -5.055 -7.914 0.528 10 HA PRO 2 HA PRO 2 -5.580 -9.099 5.782 11 HB2 PRO 2 HB3 PRO 2 -3.172 -7.845 5.775 12 HB3 PRO 2 HB2 PRO 2 -3.340 -9.603 5.706 13 HG2 PRO 2 HG2 PRO 2 -2.844 -7.659 3.484 14 HG3 PRO 2 HG3 PRO 2 -2.093 -9.239 3.776 15 HD2 PRO 2 HD2 PRO 2 -4.082 -8.882 1.973 16 HD3 PRO 2 HD3 PRO 2 -3.878 -10.392 2.884 17 H VAL 3 H VAL 3 -6.283 -7.394 6.940 18 HA VAL 3 HA VAL 3 -7.179 -5.340 7.372 19 HB VAL 3 HB VAL 3 -4.870 -4.195 5.818 20 HG11 VAL 3 HG11 VAL 3 -5.050 -2.685 7.994 21 HG12 VAL 3 HG12 VAL 3 -6.045 -2.393 6.566 22 HG13 VAL 3 HG13 VAL 3 -6.716 -3.262 7.946 23 HG21 VAL 3 HG21 VAL 3 -4.853 -5.747 8.352 24 HG22 VAL 3 HG22 VAL 3 -3.640 -5.649 7.076 25 HG23 VAL 3 HG23 VAL 3 -3.805 -4.333 8.238 26 H GLY 4 H GLY 4 -8.270 -6.568 5.097 27 HA2 GLY 4 HA2 GLY 4 -8.496 -4.451 3.088 28 HA3 GLY 4 HA3 GLY 4 -9.103 -6.093 2.936 29 H SER 5 H SER 5 -11.017 -6.670 4.176 30 HA SER 5 HA SER 5 -13.035 -4.692 3.951 31 HB2 SER 5 HB2 SER 5 -12.906 -7.515 4.394 32 HB3 SER 5 HB3 SER 5 -13.960 -6.803 5.616 33 HG SER 5 HG SER 5 -14.402 -7.175 2.971 34 H ASP 6 H ASP 6 -10.927 -5.644 6.507 35 HA ASP 6 HA ASP 6 -12.432 -4.815 8.732 36 HB2 ASP 6 HB2 ASP 6 -9.433 -4.862 8.339 37 HB3 ASP 6 HB3 ASP 6 -10.242 -4.658 9.891 38 H CYS 7 H CYS 7 -9.556 -3.082 7.568 39 HA CYS 7 HA CYS 7 -11.041 -0.559 7.879 40 HB2 CYS 7 HB2 CYS 7 -9.414 -1.085 9.773 41 HB3 CYS 7 HB3 CYS 7 -8.127 -0.875 8.590 42 H GLU 8 H GLU 8 -10.202 1.234 6.627 43 HA GLU 8 HA GLU 8 -8.629 0.381 4.288 44 HB2 GLU 8 HB2 GLU 8 -10.030 1.611 2.819 45 HB3 GLU 8 HB3 GLU 8 -11.101 0.657 3.837 46 HG2 GLU 8 HG2 GLU 8 -11.541 2.617 5.221 47 HG3 GLU 8 HG3 GLU 8 -10.464 3.575 4.206 48 HA PRO 9 HA PRO 9 -6.006 3.820 5.037 49 HB2 PRO 9 HB3 PRO 9 -5.210 4.414 2.511 50 HB3 PRO 9 HB2 PRO 9 -4.648 2.984 3.384 51 HG2 PRO 9 HG2 PRO 9 -6.801 3.217 1.317 52 HG3 PRO 9 HG3 PRO 9 -5.546 1.976 1.490 53 HD2 PRO 9 HD2 PRO 9 -8.098 1.591 2.308 54 HD3 PRO 9 HD3 PRO 9 -6.710 0.848 3.129 55 H LYS 10 H LYS 10 -5.584 6.115 4.292 56 HA LYS 10 HA LYS 10 -7.407 7.582 2.767 57 HB2 LYS 10 HB2 LYS 10 -8.538 6.796 5.191 58 HB3 LYS 10 HB3 LYS 10 -8.043 8.462 5.462 59 HG2 LYS 10 HG2 LYS 10 -9.553 7.781 2.986 60 HG3 LYS 10 HG3 LYS 10 -10.414 7.912 4.522 61 HD2 LYS 10 HD2 LYS 10 -10.552 10.093 3.973 62 HD3 LYS 10 HD3 LYS 10 -8.902 10.157 4.599 63 HE2 LYS 10 HE2 LYS 10 -8.513 11.107 2.578 64 HE3 LYS 10 HE3 LYS 10 -8.372 9.420 2.087 65 HZ1 LYS 10 HZ1 LYS 10 -10.115 9.639 0.758 66 HZ2 LYS 10 HZ2 LYS 10 -10.103 11.302 1.068 67 HZ3 LYS 10 HZ3 LYS 10 -11.075 10.277 1.996 68 H LEU 11 H LEU 11 -5.384 7.629 5.668 69 HA LEU 11 HA LEU 11 -3.574 9.504 4.617 70 HB2 LEU 11 HB2 LEU 11 -5.334 11.116 4.905 71 HB3 LEU 11 HB3 LEU 11 -5.603 10.586 6.564 72 HG LEU 11 HG LEU 11 -2.984 11.359 6.641 73 HD11 LEU 11 HD11 LEU 11 -2.819 12.317 4.518 74 HD12 LEU 11 HD12 LEU 11 -3.115 13.686 5.588 75 HD13 LEU 11 HD13 LEU 11 -4.429 13.030 4.612 76 HD21 LEU 11 HD21 LEU 11 -3.829 13.359 7.790 77 HD22 LEU 11 HD22 LEU 11 -4.685 11.898 8.286 78 HD23 LEU 11 HD23 LEU 11 -5.444 13.026 7.162 79 H CYS 12 H CYS 12 -1.709 9.186 5.640 80 HA CYS 12 HA CYS 12 -1.541 8.854 8.482 81 HB2 CYS 12 HB2 CYS 12 -0.733 6.611 8.573 82 HB3 CYS 12 HB3 CYS 12 -2.237 6.570 7.659 83 H THR 13 H THR 13 0.789 8.331 9.125 84 HA THR 13 HA THR 13 2.651 9.513 7.169 85 HB THR 13 HB THR 13 3.819 10.656 8.969 86 HG1 THR 13 HG1 THR 13 3.190 10.469 11.071 87 HG21 THR 13 HG21 THR 13 1.976 11.843 7.875 88 HG22 THR 13 HG22 THR 13 2.121 12.314 9.567 89 HG23 THR 13 HG23 THR 13 0.849 11.199 9.068 90 H MET 14 H MET 14 4.126 8.067 6.594 91 HA MET 14 HA MET 14 4.591 5.603 7.707 92 HB2 MET 14 HB2 MET 14 6.895 5.793 6.603 93 HB3 MET 14 HB3 MET 14 5.485 5.972 5.567 94 HG2 MET 14 HG2 MET 14 5.969 8.095 5.057 95 HG3 MET 14 HG3 MET 14 6.483 8.479 6.698 96 HE1 MET 14 HE1 MET 14 9.172 9.209 6.979 97 HE2 MET 14 HE2 MET 14 9.745 9.582 5.353 98 HE3 MET 14 HE3 MET 14 8.106 10.021 5.832 99 H ASP 15 H ASP 15 5.165 5.113 9.715 100 HA ASP 15 HA ASP 15 7.051 6.868 11.127 101 HB2 ASP 15 HB2 ASP 15 4.641 5.995 11.979 102 HB3 ASP 15 HB3 ASP 15 5.667 4.709 12.607 103 H LEU 16 H LEU 16 8.013 5.201 13.048 104 HA LEU 16 HA LEU 16 9.296 2.988 11.605 105 HB2 LEU 16 HB2 LEU 16 10.635 5.245 11.906 106 HB3 LEU 16 HB3 LEU 16 10.916 4.592 13.518 107 HG LEU 16 HG LEU 16 11.606 2.473 11.955 108 HD11 LEU 16 HD11 LEU 16 12.555 4.934 10.497 109 HD12 LEU 16 HD12 LEU 16 11.294 3.846 9.919 110 HD13 LEU 16 HD13 LEU 16 12.943 3.255 10.118 111 HD21 LEU 16 HD21 LEU 16 12.848 3.439 13.855 112 HD22 LEU 16 HD22 LEU 16 13.426 4.727 12.797 113 HD23 LEU 16 HD23 LEU 16 13.893 3.055 12.487 114 H VAL 17 H VAL 17 7.141 2.867 13.445 115 HA VAL 17 HA VAL 17 8.419 1.295 15.571 116 HB VAL 17 HB VAL 17 6.112 3.198 16.006 117 HG11 VAL 17 HG11 VAL 17 7.209 2.222 18.429 118 HG12 VAL 17 HG12 VAL 17 5.584 1.981 17.785 119 HG13 VAL 17 HG13 VAL 17 6.868 0.835 17.396 120 HG21 VAL 17 HG21 VAL 17 8.908 3.282 17.134 121 HG22 VAL 17 HG22 VAL 17 8.327 4.286 15.805 122 HG23 VAL 17 HG23 VAL 17 7.620 4.453 17.412 123 HA PRO 18 HA PRO 18 5.217 -1.195 13.380 124 HB2 PRO 18 HB3 PRO 18 6.654 -3.497 13.453 125 HB3 PRO 18 HB2 PRO 18 6.853 -2.280 12.187 126 HG2 PRO 18 HG2 PRO 18 8.509 -2.754 14.636 127 HG3 PRO 18 HG3 PRO 18 9.036 -2.401 12.980 128 HD2 PRO 18 HD2 PRO 18 8.954 -0.511 14.917 129 HD3 PRO 18 HD3 PRO 18 8.656 -0.139 13.207 130 H HIS 19 H HIS 19 3.988 -3.023 14.147 131 HA HIS 19 HA HIS 19 4.486 -4.136 16.739 132 HB2 HIS 19 HB2 HIS 19 2.732 -1.798 16.461 133 HB3 HIS 19 HB3 HIS 19 1.982 -3.158 17.291 134 HD1 HIS 19 HD1 HIS 19 3.162 -0.272 18.402 135 HD2 HIS 19 HD2 HIS 19 4.602 -4.115 19.046 136 HE1 HIS 19 HE1 HIS 19 4.495 -0.142 20.530 137 H CYS 20 H CYS 20 2.406 -5.394 17.464 138 HA CYS 20 HA CYS 20 1.480 -6.844 15.089 139 HB2 CYS 20 HB2 CYS 20 1.186 -7.751 17.948 140 HB3 CYS 20 HB3 CYS 20 1.139 -8.728 16.484 141 H PHE 21 H PHE 21 -0.606 -6.899 14.502 142 HA PHE 21 HA PHE 21 -2.587 -5.727 16.341 143 HB2 PHE 21 HB2 PHE 21 -3.593 -4.512 14.615 144 HB3 PHE 21 HB3 PHE 21 -1.874 -4.328 14.281 145 HD1 PHE 21 HD2 PHE 21 -0.852 -5.418 12.378 146 HD2 PHE 21 HD1 PHE 21 -5.009 -5.844 13.185 147 HE1 PHE 21 HE2 PHE 21 -1.198 -6.302 10.109 148 HE2 PHE 21 HE1 PHE 21 -5.362 -6.730 10.917 149 HZ PHE 21 HZ PHE 21 -3.456 -6.959 9.375 150 H LEU 22 H LEU 22 -4.824 -6.418 15.929 151 HA LEU 22 HA LEU 22 -4.898 -9.271 15.397 152 HB2 LEU 22 HB2 LEU 22 -6.166 -7.657 17.210 153 HB3 LEU 22 HB3 LEU 22 -7.425 -7.933 16.009 154 HG LEU 22 HG LEU 22 -6.116 -10.405 16.752 155 HD11 LEU 22 HD11 LEU 22 -7.499 -10.180 19.053 156 HD12 LEU 22 HD12 LEU 22 -6.869 -8.540 18.902 157 HD13 LEU 22 HD13 LEU 22 -5.761 -9.911 18.919 158 HD21 LEU 22 HD21 LEU 22 -8.912 -9.988 17.488 159 HD22 LEU 22 HD22 LEU 22 -8.184 -11.192 16.425 160 HD23 LEU 22 HD23 LEU 22 -8.551 -9.581 15.810 161 H ASN 23 H ASN 23 -5.446 -10.098 13.499 162 HA ASN 23 HA ASN 23 -7.040 -8.444 11.654 163 HB2 ASN 23 HB2 ASN 23 -4.525 -9.353 11.199 164 HB3 ASN 23 HB3 ASN 23 -5.468 -10.685 10.536 165 HD21 ASN 23 HD22 ASN 23 -3.966 -9.419 8.799 166 HD22 ASN 23 HD21 ASN 23 -4.891 -8.371 7.782 167 HA PRO 24 HA PRO 24 -9.918 -11.828 12.530 168 HB2 PRO 24 HB3 PRO 24 -12.098 -10.485 11.629 169 HB3 PRO 24 HB2 PRO 24 -11.421 -10.244 13.244 170 HG2 PRO 24 HG2 PRO 24 -11.056 -8.595 10.772 171 HG3 PRO 24 HG3 PRO 24 -11.337 -8.063 12.440 172 HD2 PRO 24 HD2 PRO 24 -8.880 -8.058 11.304 173 HD3 PRO 24 HD3 PRO 24 -9.130 -8.351 13.037 174 H GLU 25 H GLU 25 -8.835 -10.391 9.667 175 HA GLU 25 HA GLU 25 -10.552 -11.954 7.915 176 HB2 GLU 25 HB2 GLU 25 -8.455 -9.855 7.489 177 HB3 GLU 25 HB3 GLU 25 -8.948 -10.886 6.153 178 HG2 GLU 25 HG2 GLU 25 -10.931 -9.336 7.782 179 HG3 GLU 25 HG3 GLU 25 -10.107 -8.640 6.388 180 H LYS 26 H LYS 26 -7.752 -12.452 9.644 181 HA LYS 26 HA LYS 26 -7.230 -14.942 8.335 182 HB2 LYS 26 HB2 LYS 26 -4.675 -14.090 8.158 183 HB3 LYS 26 HB3 LYS 26 -5.804 -14.066 6.809 184 HG2 LYS 26 HG2 LYS 26 -6.070 -11.795 6.890 185 HG3 LYS 26 HG3 LYS 26 -5.679 -11.700 8.609 186 HD2 LYS 26 HD2 LYS 26 -3.897 -10.727 7.261 187 HD3 LYS 26 HD3 LYS 26 -3.330 -12.175 8.096 188 HE2 LYS 26 HE2 LYS 26 -3.596 -13.478 6.067 189 HE3 LYS 26 HE3 LYS 26 -4.259 -12.077 5.227 190 HZ1 LYS 26 HZ1 LYS 26 -1.502 -12.713 5.879 191 HZ2 LYS 26 HZ2 LYS 26 -1.941 -11.090 6.069 192 HZ3 LYS 26 HZ3 LYS 26 -2.135 -11.848 4.570 193 H GLY 27 H GLY 27 -5.324 -12.606 10.253 194 HA2 GLY 27 HA2 GLY 27 -5.667 -13.737 12.748 195 HA3 GLY 27 HA3 GLY 27 -4.346 -14.629 12.009 196 H ILE 28 H ILE 28 -3.640 -13.427 14.211 197 HA ILE 28 HA ILE 28 -2.989 -10.762 14.301 198 HB ILE 28 HB ILE 28 -2.593 -12.112 16.227 199 HG12 ILE 28 HG12 ILE 28 -0.895 -10.190 15.436 200 HG13 ILE 28 HG13 ILE 28 -0.710 -11.052 16.960 201 HG21 ILE 28 HG21 ILE 28 -0.636 -13.615 14.501 202 HG22 ILE 28 HG22 ILE 28 -0.719 -13.780 16.254 203 HG23 ILE 28 HG23 ILE 28 -2.104 -14.231 15.260 204 HD11 ILE 28 HD11 ILE 28 1.041 -12.339 16.161 205 HD12 ILE 28 HD12 ILE 28 0.621 -12.041 14.474 206 HD13 ILE 28 HD13 ILE 28 1.339 -10.755 15.445 207 H VAL 29 H VAL 29 -1.617 -9.448 13.277 208 HA VAL 29 HA VAL 29 0.647 -10.589 11.807 209 HB VAL 29 HB VAL 29 -1.377 -8.699 10.599 210 HG11 VAL 29 HG11 VAL 29 0.211 -9.270 8.546 211 HG12 VAL 29 HG12 VAL 29 0.514 -7.900 9.616 212 HG13 VAL 29 HG13 VAL 29 1.401 -9.409 9.839 213 HG21 VAL 29 HG21 VAL 29 -2.379 -10.620 10.039 214 HG22 VAL 29 HG22 VAL 29 -1.051 -10.827 8.898 215 HG23 VAL 29 HG23 VAL 29 -0.975 -11.587 10.487 216 H VAL 30 H VAL 30 2.424 -9.260 11.648 217 HA VAL 30 HA VAL 30 2.315 -6.822 13.280 218 HB VAL 30 HB VAL 30 3.949 -8.385 14.079 219 HG11 VAL 30 HG11 VAL 30 5.826 -9.138 12.655 220 HG12 VAL 30 HG12 VAL 30 4.259 -9.730 12.098 221 HG13 VAL 30 HG13 VAL 30 5.040 -8.384 11.268 222 HG21 VAL 30 HG21 VAL 30 5.897 -6.660 12.770 223 HG22 VAL 30 HG22 VAL 30 4.511 -5.776 13.410 224 HG23 VAL 30 HG23 VAL 30 5.473 -6.798 14.477 225 H VAL 31 H VAL 31 2.740 -4.858 12.451 226 HA VAL 31 HA VAL 31 3.978 -4.637 9.812 227 HB VAL 31 HB VAL 31 1.606 -2.908 10.237 228 HG11 VAL 31 HG11 VAL 31 2.536 -2.432 8.216 229 HG12 VAL 31 HG12 VAL 31 3.157 -4.069 7.991 230 HG13 VAL 31 HG13 VAL 31 1.449 -3.726 7.712 231 HG21 VAL 31 HG21 VAL 31 0.146 -4.695 9.223 232 HG22 VAL 31 HG22 VAL 31 1.421 -5.848 9.617 233 HG23 VAL 31 HG23 VAL 31 0.608 -4.957 10.904 234 H HIS 32 H HIS 32 4.236 -2.205 9.260 235 HA HIS 32 HA HIS 32 5.614 -1.001 11.488 236 HB2 HIS 32 HB2 HIS 32 5.234 -0.042 8.644 237 HB3 HIS 32 HB3 HIS 32 6.289 0.715 9.834 238 HD1 HIS 32 HD1 HIS 32 8.444 -0.618 10.513 239 HD2 HIS 32 HD2 HIS 32 6.265 -2.285 7.393 240 HE1 HIS 32 HE1 HIS 32 9.975 -2.307 9.451 241 H GLY 33 H GLY 33 5.213 1.075 12.350 242 HA2 GLY 33 HA2 GLY 33 2.503 1.660 12.840 243 HA3 GLY 33 HA3 GLY 33 3.860 2.704 13.236 244 H GLY 34 H GLY 34 2.464 4.489 12.690 245 HA2 GLY 34 HA2 GLY 34 2.070 6.241 11.230 246 HA3 GLY 34 HA3 GLY 34 2.808 5.291 9.949 247 H CYS 35 H CYS 35 1.486 3.562 8.992 248 HA CYS 35 HA CYS 35 -1.242 4.507 8.627 249 HB2 CYS 35 HB2 CYS 35 0.705 3.159 7.004 250 HB3 CYS 35 HB3 CYS 35 -0.769 2.198 7.059 251 H ALA 36 H ALA 36 0.475 1.637 9.751 252 HA ALA 36 HA ALA 36 -1.799 -0.005 10.099 253 HB1 ALA 36 HB1 ALA 36 -0.384 -1.519 11.173 254 HB2 ALA 36 HB2 ALA 36 0.673 -0.677 10.040 255 HB3 ALA 36 HB3 ALA 36 0.693 -0.247 11.750 256 H LEU 37 H LEU 37 -0.195 2.344 12.166 257 HA LEU 37 HA LEU 37 -1.727 1.677 14.500 258 HB2 LEU 37 HB2 LEU 37 0.597 2.765 14.374 259 HB3 LEU 37 HB3 LEU 37 -0.275 4.264 14.060 260 HG LEU 37 HG LEU 37 -1.390 4.074 16.228 261 HD11 LEU 37 HD11 LEU 37 -1.528 1.736 16.566 262 HD12 LEU 37 HD12 LEU 37 -0.481 2.363 17.839 263 HD13 LEU 37 HD13 LEU 37 0.221 1.543 16.444 264 HD21 LEU 37 HD21 LEU 37 0.563 5.378 16.280 265 HD22 LEU 37 HD22 LEU 37 1.612 3.964 16.173 266 HD23 LEU 37 HD23 LEU 37 0.708 4.281 17.654 267 H SER 38 H SER 38 -1.753 4.346 12.153 268 HA SER 38 HA SER 38 -3.897 5.764 13.284 269 HB2 SER 38 HB2 SER 38 -2.721 7.023 11.734 270 HB3 SER 38 HB3 SER 38 -2.615 5.694 10.580 271 HG SER 38 HG SER 38 -4.183 7.571 10.243 272 H LYS 39 H LYS 39 -3.789 3.081 11.024 273 HA LYS 39 HA LYS 39 -6.637 3.179 10.518 274 HB2 LYS 39 HB2 LYS 39 -4.449 1.280 9.679 275 HB3 LYS 39 HB3 LYS 39 -6.142 1.001 9.293 276 HG2 LYS 39 HG2 LYS 39 -6.250 2.862 7.887 277 HG3 LYS 39 HG3 LYS 39 -4.770 3.560 8.550 278 HD2 LYS 39 HD2 LYS 39 -4.115 2.702 6.476 279 HD3 LYS 39 HD3 LYS 39 -3.605 1.466 7.629 280 HE2 LYS 39 HE2 LYS 39 -5.644 0.190 7.141 281 HE3 LYS 39 HE3 LYS 39 -6.129 1.420 5.976 282 HZ1 LYS 39 HZ1 LYS 39 -3.636 -0.181 5.788 283 HZ2 LYS 39 HZ2 LYS 39 -4.223 0.911 4.637 284 HZ3 LYS 39 HZ3 LYS 39 -5.062 -0.524 4.946 285 H TYR 40 H TYR 40 -4.424 1.499 12.613 286 HA TYR 40 HA TYR 40 -5.863 -0.742 13.331 287 HB2 TYR 40 HB2 TYR 40 -3.710 -0.595 14.234 288 HB3 TYR 40 HB3 TYR 40 -3.977 1.029 14.858 289 HD1 TYR 40 HD2 TYR 40 -5.207 -2.469 15.307 290 HD2 TYR 40 HD1 TYR 40 -4.414 1.300 17.116 291 HE1 TYR 40 HE2 TYR 40 -5.767 -3.414 17.507 292 HE2 TYR 40 HE1 TYR 40 -4.971 0.365 19.321 293 HH TYR 40 HH TYR 40 -6.082 -1.419 20.338 294 H LYS 41 H LYS 41 -6.174 2.564 14.556 295 HA LYS 41 HA LYS 41 -7.963 2.150 16.624 296 HB2 LYS 41 HB2 LYS 41 -6.808 4.327 15.725 297 HB3 LYS 41 HB3 LYS 41 -8.298 4.510 14.810 298 HG2 LYS 41 HG2 LYS 41 -9.442 4.157 17.119 299 HG3 LYS 41 HG3 LYS 41 -7.861 4.615 17.758 300 HD2 LYS 41 HD2 LYS 41 -8.016 6.762 16.976 301 HD3 LYS 41 HD3 LYS 41 -9.066 6.311 15.631 302 HE2 LYS 41 HE2 LYS 41 -10.881 6.821 16.809 303 HE3 LYS 41 HE3 LYS 41 -10.373 5.770 18.130 304 HZ1 LYS 41 HZ1 LYS 41 -10.626 8.399 18.373 305 HZ2 LYS 41 HZ2 LYS 41 -8.996 8.320 17.927 306 HZ3 LYS 41 HZ3 LYS 41 -9.540 7.488 19.296 307 H CYS 42 H CYS 42 -8.481 1.974 13.205 308 HA CYS 42 HA CYS 42 -11.388 1.874 13.570 309 HB2 CYS 42 HB2 CYS 42 -11.317 3.077 11.676 310 HB3 CYS 42 HB3 CYS 42 -9.621 2.690 11.408 311 H GLN 43 H GLN 43 -8.670 -0.022 12.341 312 HA GLN 43 HA GLN 43 -9.980 -2.210 11.308 313 HB2 GLN 43 HB2 GLN 43 -7.321 -1.645 12.339 314 HB3 GLN 43 HB3 GLN 43 -7.798 -3.311 12.637 315 HG2 GLN 43 HG2 GLN 43 -8.542 -2.834 10.006 316 HG3 GLN 43 HG3 GLN 43 -6.982 -2.033 10.183 317 HE21 GLN 43 HE22 GLN 43 -8.534 -5.066 11.188 318 HE22 GLN 43 HE21 GLN 43 -7.195 -6.082 10.788 319 H ASN 44 H ASN 44 -9.044 -1.649 14.689 320 HA ASN 44 HA ASN 44 -11.249 -3.294 15.585 321 HB2 ASN 44 HB2 ASN 44 -8.405 -4.031 16.313 322 HB3 ASN 44 HB3 ASN 44 -9.862 -4.784 16.955 323 HD21 ASN 44 HD22 ASN 44 -11.264 -5.880 15.417 324 HD22 ASN 44 HD21 ASN 44 -10.555 -6.654 14.045 325 HA PRO 45 HA PRO 45 -10.360 0.359 18.258 326 HB2 PRO 45 HB3 PRO 45 -12.969 1.048 18.552 327 HB3 PRO 45 HB2 PRO 45 -11.986 1.573 17.180 328 HG2 PRO 45 HG2 PRO 45 -13.958 -0.673 17.347 329 HG3 PRO 45 HG3 PRO 45 -13.723 0.516 16.052 330 HD2 PRO 45 HD2 PRO 45 -12.746 -2.006 15.911 331 HD3 PRO 45 HD3 PRO 45 -11.924 -0.620 15.165 332 H ASN 46 H ASN 46 -11.934 -2.617 18.574 333 HA ASN 46 HA ASN 46 -12.492 -2.178 21.425 334 HB2 ASN 46 HB2 ASN 46 -13.634 -4.484 21.164 335 HB3 ASN 46 HB3 ASN 46 -14.422 -3.080 20.450 336 HD21 ASN 46 HD22 ASN 46 -15.297 -3.580 18.586 337 HD22 ASN 46 HD21 ASN 46 -14.610 -4.604 17.376 338 H HIS 47 H HIS 47 -10.340 -3.710 19.254 339 HA HIS 47 HA HIS 47 -9.395 -5.649 21.201 340 HB2 HIS 47 HB2 HIS 47 -8.488 -5.001 18.391 341 HB3 HIS 47 HB3 HIS 47 -7.764 -6.253 19.397 342 HD1 HIS 47 HD1 HIS 47 -10.938 -6.828 20.407 343 HD2 HIS 47 HD2 HIS 47 -9.174 -7.224 16.666 344 HE1 HIS 47 HE1 HIS 47 -12.379 -8.465 19.154 345 H GLU 48 H GLU 48 -6.984 -5.784 21.562 346 HA GLU 48 HA GLU 48 -5.859 -3.080 21.891 347 HB2 GLU 48 HB2 GLU 48 -6.640 -4.552 23.967 348 HB3 GLU 48 HB3 GLU 48 -5.053 -5.272 23.741 349 HG2 GLU 48 HG2 GLU 48 -4.082 -2.975 23.863 350 HG3 GLU 48 HG3 GLU 48 -5.685 -2.387 24.302 351 H LYS 49 H LYS 49 -4.018 -2.753 20.848 352 HA LYS 49 HA LYS 49 -2.727 -4.725 19.326 353 HB2 LYS 49 HB2 LYS 49 -2.648 -1.997 19.426 354 HB3 LYS 49 HB3 LYS 49 -1.079 -2.413 20.103 355 HG2 LYS 49 HG2 LYS 49 -0.325 -3.343 18.149 356 HG3 LYS 49 HG3 LYS 49 -1.950 -3.727 17.578 357 HD2 LYS 49 HD2 LYS 49 -2.198 -1.727 16.586 358 HD3 LYS 49 HD3 LYS 49 -1.451 -0.862 17.931 359 HE2 LYS 49 HE2 LYS 49 0.619 -0.948 17.011 360 HE3 LYS 49 HE3 LYS 49 0.344 -2.526 16.274 361 HZ1 LYS 49 HZ1 LYS 49 0.551 -0.806 14.599 362 HZ2 LYS 49 HZ2 LYS 49 -0.729 0.062 15.285 363 HZ3 LYS 49 HZ3 LYS 49 -1.013 -1.450 14.582 364 H LEU 50 H LEU 50 -1.112 -6.112 19.744 365 HA LEU 50 HA LEU 50 -0.101 -6.227 22.481 366 HB2 LEU 50 HB2 LEU 50 0.429 -8.232 20.312 367 HB3 LEU 50 HB3 LEU 50 0.487 -8.463 22.058 368 HG LEU 50 HG LEU 50 -1.974 -8.151 20.345 369 HD11 LEU 50 HD11 LEU 50 -1.801 -10.357 20.171 370 HD12 LEU 50 HD12 LEU 50 -2.103 -10.450 21.906 371 HD13 LEU 50 HD13 LEU 50 -0.447 -10.404 21.301 372 HD21 LEU 50 HD21 LEU 50 -1.761 -8.436 23.341 373 HD22 LEU 50 HD22 LEU 50 -3.252 -8.435 22.399 374 HD23 LEU 50 HD23 LEU 50 -2.257 -6.981 22.475 375 H GLY 51 H GLY 51 1.984 -5.894 23.039 376 HA2 GLY 51 HA2 GLY 51 3.908 -5.405 20.851 377 HA3 GLY 51 HA3 GLY 51 3.793 -4.330 22.236 378 H TYR 52 H TYR 52 3.214 -7.259 23.503 379 HA TYR 52 HA TYR 52 5.957 -8.194 23.659 380 HB2 TYR 52 HB2 TYR 52 5.652 -6.368 25.408 381 HB3 TYR 52 HB3 TYR 52 4.526 -7.457 26.212 382 HD1 TYR 52 HD2 TYR 52 7.773 -8.193 24.533 383 HD2 TYR 52 HD1 TYR 52 5.583 -8.103 28.180 384 HE1 TYR 52 HE2 TYR 52 9.655 -9.282 25.683 385 HE2 TYR 52 HE1 TYR 52 7.460 -9.190 29.340 386 HH TYR 52 HH TYR 52 9.390 -10.421 28.969 387 H THR 53 H THR 53 4.531 -9.823 22.495 388 HA THR 53 HA THR 53 3.584 -11.776 24.473 389 HB THR 53 HB THR 53 1.917 -12.347 22.419 390 HG1 THR 53 HG1 THR 53 2.291 -9.522 22.439 391 HG21 THR 53 HG21 THR 53 0.169 -11.546 23.779 392 HG22 THR 53 HG22 THR 53 1.172 -10.265 24.459 393 HG23 THR 53 HG23 THR 53 1.467 -11.947 24.903 394 H HIS 54 H HIS 54 3.700 -13.973 23.791 395 HA HIS 54 HA HIS 54 6.007 -14.644 22.369 396 HB2 HIS 54 HB2 HIS 54 4.175 -16.002 23.939 397 HB3 HIS 54 HB3 HIS 54 3.985 -16.752 22.357 398 HD1 HIS 54 HD1 HIS 54 5.482 -17.731 25.173 399 HD2 HIS 54 HD2 HIS 54 7.125 -16.861 21.458 400 HE1 HIS 54 HE1 HIS 54 7.673 -18.963 25.103 401 H GLU 55 H GLU 55 2.830 -13.923 21.264 402 HA GLU 55 HA GLU 55 3.068 -15.273 18.736 403 HB2 GLU 55 HB2 GLU 55 1.000 -13.983 18.165 404 HB3 GLU 55 HB3 GLU 55 0.862 -14.971 19.612 405 HG2 GLU 55 HG2 GLU 55 0.369 -13.211 20.860 406 HG3 GLU 55 HG3 GLU 55 1.771 -12.321 20.269 407 H CYS 56 H CYS 56 4.230 -12.366 20.027 408 HA CYS 56 HA CYS 56 4.358 -10.979 17.476 409 HB2 CYS 56 HB2 CYS 56 4.991 -10.278 20.312 410 HB3 CYS 56 HB3 CYS 56 5.754 -9.353 19.023 411 H GLU 57 H GLU 57 5.965 -13.495 18.565 412 HA GLU 57 HA GLU 57 8.666 -12.941 18.616 413 HB2 GLU 57 HB2 GLU 57 7.748 -15.158 19.088 414 HB3 GLU 57 HB3 GLU 57 7.296 -15.346 17.400 415 HG2 GLU 57 HG2 GLU 57 9.275 -16.215 16.962 416 HG3 GLU 57 HG3 GLU 57 10.054 -14.723 17.484 417 H GLU 58 H GLU 58 6.573 -13.435 15.806 418 HA GLU 58 HA GLU 58 8.607 -13.344 13.854 419 HB2 GLU 58 HB2 GLU 58 5.770 -13.569 13.906 420 HB3 GLU 58 HB3 GLU 58 6.185 -12.276 12.789 421 HG2 GLU 58 HG2 GLU 58 6.358 -13.947 11.312 422 HG3 GLU 58 HG3 GLU 58 7.957 -14.154 12.024 423 H ALA 59 H ALA 59 6.885 -10.868 15.588 424 HA ALA 59 HA ALA 59 7.297 -8.673 13.918 425 HB1 ALA 59 HB1 ALA 59 6.870 -7.301 15.814 426 HB2 ALA 59 HB2 ALA 59 5.870 -8.745 15.979 427 HB3 ALA 59 HB3 ALA 59 7.348 -8.583 16.927 428 H ILE 60 H ILE 60 9.505 -10.403 15.956 429 HA ILE 60 HA ILE 60 11.480 -8.505 16.407 430 HB ILE 60 HB ILE 60 11.849 -11.452 15.859 431 HG12 ILE 60 HG12 ILE 60 11.650 -9.988 18.498 432 HG13 ILE 60 HG13 ILE 60 10.316 -10.859 17.749 433 HG21 ILE 60 HG21 ILE 60 13.920 -11.040 17.321 434 HG22 ILE 60 HG22 ILE 60 13.980 -10.536 15.633 435 HG23 ILE 60 HG23 ILE 60 13.704 -9.341 16.901 436 HD11 ILE 60 HD11 ILE 60 12.419 -11.847 19.403 437 HD12 ILE 60 HD12 ILE 60 10.996 -12.685 18.785 438 HD13 ILE 60 HD13 ILE 60 12.479 -12.644 17.831 439 H LYS 61 H LYS 61 11.042 -10.655 13.617 440 HA LYS 61 HA LYS 61 13.303 -9.493 12.234 441 HB2 LYS 61 HB2 LYS 61 12.601 -11.021 10.382 442 HB3 LYS 61 HB3 LYS 61 12.936 -11.839 11.903 443 HG2 LYS 61 HG2 LYS 61 10.591 -12.079 12.356 444 HG3 LYS 61 HG3 LYS 61 10.179 -11.103 10.944 445 HD2 LYS 61 HD2 LYS 61 11.897 -13.267 10.168 446 HD3 LYS 61 HD3 LYS 61 10.516 -13.892 11.074 447 HE2 LYS 61 HE2 LYS 61 9.072 -13.404 9.429 448 HE3 LYS 61 HE3 LYS 61 9.818 -11.838 9.112 449 HZ1 LYS 61 HZ1 LYS 61 9.953 -13.513 7.267 450 HZ2 LYS 61 HZ2 LYS 61 11.028 -14.394 8.231 451 HZ3 LYS 61 HZ3 LYS 61 11.429 -12.828 7.732 452 H ASN 62 H ASN 62 9.792 -9.328 12.126 453 HA ASN 62 HA ASN 62 9.554 -7.907 9.703 454 HB2 ASN 62 HB2 ASN 62 7.793 -9.000 11.508 455 HB3 ASN 62 HB3 ASN 62 7.536 -7.273 11.739 456 HD21 ASN 62 HD22 ASN 62 7.237 -9.953 9.579 457 HD22 ASN 62 HD21 ASN 62 6.285 -9.151 8.381 458 H ALA 63 H ALA 63 10.462 -6.940 12.892 459 HA ALA 63 HA ALA 63 10.065 -4.108 12.315 460 HB1 ALA 63 HB1 ALA 63 10.743 -5.675 14.763 461 HB2 ALA 63 HB2 ALA 63 11.121 -3.953 14.696 462 HB3 ALA 63 HB3 ALA 63 9.455 -4.498 14.500 463 HA PRO 64 HA PRO 64 14.200 -3.205 11.154 464 HB2 PRO 64 HB3 PRO 64 14.614 -0.801 12.345 465 HB3 PRO 64 HB2 PRO 64 13.554 -1.010 10.946 466 HG2 PRO 64 HG2 PRO 64 12.843 -0.807 13.846 467 HG3 PRO 64 HG3 PRO 64 12.059 -0.052 12.447 468 HD2 PRO 64 HD2 PRO 64 11.079 -2.275 13.643 469 HD3 PRO 64 HD3 PRO 64 10.901 -1.969 11.903 470 H ARG 65 H ARG 65 15.800 -4.426 11.961 471 HA ARG 65 HA ARG 65 16.416 -4.326 14.812 472 HB2 ARG 65 HB2 ARG 65 16.981 -6.211 12.586 473 HB3 ARG 65 HB3 ARG 65 18.173 -6.118 13.876 474 HG2 ARG 65 HG2 ARG 65 16.009 -6.366 15.385 475 HG3 ARG 65 HG3 ARG 65 15.396 -7.145 13.925 476 HD2 ARG 65 HD2 ARG 65 18.013 -8.121 14.375 477 HD3 ARG 65 HD3 ARG 65 17.154 -8.188 15.914 478 HE ARG 65 HE ARG 65 15.800 -9.834 15.058 479 HH11 ARG 65 HH11 ARG 65 17.608 -8.351 12.479 480 HH12 ARG 65 HH12 ARG 65 17.141 -9.530 11.298 481 HH21 ARG 65 HH22 ARG 65 15.178 -11.392 13.512 482 HH22 ARG 65 HH21 ARG 65 15.758 -11.259 11.887 483 HA PRO 66 HA PRO 66 20.022 -1.850 14.486 484 HB2 PRO 66 HB3 PRO 66 21.736 -3.079 16.197 485 HB3 PRO 66 HB2 PRO 66 20.327 -2.161 16.742 486 HG2 PRO 66 HG2 PRO 66 20.654 -5.120 16.423 487 HG3 PRO 66 HG3 PRO 66 19.885 -4.215 17.740 488 HD2 PRO 66 HD2 PRO 66 18.462 -5.415 15.774 489 HD3 PRO 66 HD3 PRO 66 17.927 -3.917 16.562 Start of MODEL 14 1 H1 VAL 1 H1 VAL 1 -6.649 -7.218 0.749 2 HA VAL 1 HA VAL 1 -3.983 -7.785 1.861 3 HB VAL 1 HB VAL 1 -3.865 -5.260 2.322 4 HG11 VAL 1 HG11 VAL 1 -2.606 -6.698 0.571 5 HG12 VAL 1 HG12 VAL 1 -3.652 -5.887 -0.595 6 HG13 VAL 1 HG13 VAL 1 -2.571 -4.940 0.428 7 HG21 VAL 1 HG21 VAL 1 -6.241 -4.855 1.663 8 HG22 VAL 1 HG22 VAL 1 -5.075 -3.806 0.858 9 HG23 VAL 1 HG23 VAL 1 -5.776 -5.173 -0.008 10 HA PRO 2 HA PRO 2 -5.881 -7.767 5.818 11 HB2 PRO 2 HB3 PRO 2 -3.904 -6.735 7.366 12 HB3 PRO 2 HB2 PRO 2 -3.835 -8.362 6.678 13 HG2 PRO 2 HG2 PRO 2 -2.548 -5.839 5.707 14 HG3 PRO 2 HG3 PRO 2 -1.867 -7.473 5.814 15 HD2 PRO 2 HD2 PRO 2 -2.785 -6.426 3.492 16 HD3 PRO 2 HD3 PRO 2 -2.883 -8.160 3.862 17 H VAL 3 H VAL 3 -6.568 -6.393 7.620 18 HA VAL 3 HA VAL 3 -7.694 -4.553 8.363 19 HB VAL 3 HB VAL 3 -5.429 -2.929 7.224 20 HG11 VAL 3 HG11 VAL 3 -7.412 -2.604 9.436 21 HG12 VAL 3 HG12 VAL 3 -5.855 -1.777 9.516 22 HG13 VAL 3 HG13 VAL 3 -6.951 -1.469 8.169 23 HG21 VAL 3 HG21 VAL 3 -4.206 -3.391 9.319 24 HG22 VAL 3 HG22 VAL 3 -5.434 -4.583 9.746 25 HG23 VAL 3 HG23 VAL 3 -4.419 -4.832 8.325 26 H GLY 4 H GLY 4 -8.631 -5.395 5.911 27 HA2 GLY 4 HA2 GLY 4 -9.337 -2.819 4.655 28 HA3 GLY 4 HA3 GLY 4 -8.950 -4.227 3.678 29 H SER 5 H SER 5 -10.513 -5.253 6.423 30 HA SER 5 HA SER 5 -13.050 -5.455 4.956 31 HB2 SER 5 HB2 SER 5 -11.932 -7.109 7.230 32 HB3 SER 5 HB3 SER 5 -13.547 -7.320 6.553 33 HG SER 5 HG SER 5 -11.060 -7.952 5.470 34 H ASP 6 H ASP 6 -11.995 -5.216 8.357 35 HA ASP 6 HA ASP 6 -14.494 -4.065 9.168 36 HB2 ASP 6 HB2 ASP 6 -12.972 -5.526 10.597 37 HB3 ASP 6 HB3 ASP 6 -11.941 -4.109 10.776 38 H CYS 7 H CYS 7 -11.473 -2.860 8.033 39 HA CYS 7 HA CYS 7 -12.459 -0.123 8.375 40 HB2 CYS 7 HB2 CYS 7 -10.844 -0.647 10.219 41 HB3 CYS 7 HB3 CYS 7 -9.609 -0.920 8.994 42 H GLU 8 H GLU 8 -11.633 1.381 6.856 43 HA GLU 8 HA GLU 8 -10.243 0.164 4.562 44 HB2 GLU 8 HB2 GLU 8 -11.615 1.474 3.046 45 HB3 GLU 8 HB3 GLU 8 -12.639 0.478 4.070 46 HG2 GLU 8 HG2 GLU 8 -12.226 3.038 5.291 47 HG3 GLU 8 HG3 GLU 8 -12.806 3.236 3.638 48 HA PRO 9 HA PRO 9 -7.375 3.481 4.780 49 HB2 PRO 9 HB3 PRO 9 -6.692 3.740 2.165 50 HB3 PRO 9 HB2 PRO 9 -6.169 2.379 3.164 51 HG2 PRO 9 HG2 PRO 9 -8.420 2.530 1.196 52 HG3 PRO 9 HG3 PRO 9 -7.236 1.234 1.444 53 HD2 PRO 9 HD2 PRO 9 -9.755 1.114 2.428 54 HD3 PRO 9 HD3 PRO 9 -8.370 0.373 3.256 55 H LYS 10 H LYS 10 -7.141 5.696 4.440 56 HA LYS 10 HA LYS 10 -8.780 7.148 2.601 57 HB2 LYS 10 HB2 LYS 10 -10.299 6.516 4.598 58 HB3 LYS 10 HB3 LYS 10 -9.371 7.711 5.495 59 HG2 LYS 10 HG2 LYS 10 -10.237 9.471 4.322 60 HG3 LYS 10 HG3 LYS 10 -10.552 8.499 2.882 61 HD2 LYS 10 HD2 LYS 10 -12.681 8.904 3.737 62 HD3 LYS 10 HD3 LYS 10 -12.297 7.293 4.348 63 HE2 LYS 10 HE2 LYS 10 -12.238 7.986 6.490 64 HE3 LYS 10 HE3 LYS 10 -11.455 9.511 6.081 65 HZ1 LYS 10 HZ1 LYS 10 -13.479 10.283 6.700 66 HZ2 LYS 10 HZ2 LYS 10 -14.298 8.870 6.258 67 HZ3 LYS 10 HZ3 LYS 10 -13.831 9.982 5.073 68 H LEU 11 H LEU 11 -6.769 7.214 5.500 69 HA LEU 11 HA LEU 11 -4.993 9.123 4.367 70 HB2 LEU 11 HB2 LEU 11 -7.234 10.182 5.693 71 HB3 LEU 11 HB3 LEU 11 -5.871 10.383 6.792 72 HG LEU 11 HG LEU 11 -5.390 11.229 4.010 73 HD11 LEU 11 HD11 LEU 11 -6.560 13.399 4.422 74 HD12 LEU 11 HD12 LEU 11 -7.370 12.636 5.790 75 HD13 LEU 11 HD13 LEU 11 -7.632 12.024 4.157 76 HD21 LEU 11 HD21 LEU 11 -4.157 11.536 6.443 77 HD22 LEU 11 HD22 LEU 11 -4.950 13.093 6.208 78 HD23 LEU 11 HD23 LEU 11 -3.826 12.485 4.993 79 H CYS 12 H CYS 12 -3.060 8.593 5.121 80 HA CYS 12 HA CYS 12 -2.576 8.140 7.911 81 HB2 CYS 12 HB2 CYS 12 -1.828 5.855 7.784 82 HB3 CYS 12 HB3 CYS 12 -3.472 5.930 7.158 83 H THR 13 H THR 13 -0.179 7.213 8.101 84 HA THR 13 HA THR 13 1.463 8.614 6.093 85 HB THR 13 HB THR 13 2.802 8.529 8.632 86 HG1 THR 13 HG1 THR 13 0.340 9.960 8.667 87 HG21 THR 13 HG21 THR 13 2.975 10.934 8.269 88 HG22 THR 13 HG22 THR 13 1.745 10.847 7.009 89 HG23 THR 13 HG23 THR 13 3.305 10.059 6.774 90 H MET 14 H MET 14 3.382 7.659 5.495 91 HA MET 14 HA MET 14 3.598 4.829 6.053 92 HB2 MET 14 HB2 MET 14 5.475 6.476 4.366 93 HB3 MET 14 HB3 MET 14 5.174 4.746 4.276 94 HG2 MET 14 HG2 MET 14 2.730 5.527 3.728 95 HG3 MET 14 HG3 MET 14 3.549 7.012 3.251 96 HE1 MET 14 HE1 MET 14 2.961 6.891 0.579 97 HE2 MET 14 HE2 MET 14 2.786 5.307 -0.176 98 HE3 MET 14 HE3 MET 14 1.839 5.710 1.256 99 H ASP 15 H ASP 15 5.630 3.826 6.681 100 HA ASP 15 HA ASP 15 7.824 5.212 7.723 101 HB2 ASP 15 HB2 ASP 15 5.520 5.006 9.518 102 HB3 ASP 15 HB3 ASP 15 7.001 4.348 10.210 103 H LEU 16 H LEU 16 9.083 3.738 9.335 104 HA LEU 16 HA LEU 16 8.803 0.970 8.372 105 HB2 LEU 16 HB2 LEU 16 10.880 2.387 7.814 106 HB3 LEU 16 HB3 LEU 16 11.322 2.139 9.502 107 HG LEU 16 HG LEU 16 11.033 -0.389 8.908 108 HD11 LEU 16 HD11 LEU 16 11.813 -0.762 6.531 109 HD12 LEU 16 HD12 LEU 16 11.352 0.911 6.217 110 HD13 LEU 16 HD13 LEU 16 10.135 -0.257 6.733 111 HD21 LEU 16 HD21 LEU 16 13.472 0.034 7.705 112 HD22 LEU 16 HD22 LEU 16 13.181 -0.105 9.439 113 HD23 LEU 16 HD23 LEU 16 13.246 1.486 8.681 114 H VAL 17 H VAL 17 7.192 1.512 10.428 115 HA VAL 17 HA VAL 17 8.598 0.522 12.821 116 HB VAL 17 HB VAL 17 5.944 1.958 12.661 117 HG11 VAL 17 HG11 VAL 17 6.287 2.100 15.170 118 HG12 VAL 17 HG12 VAL 17 5.852 0.516 14.526 119 HG13 VAL 17 HG13 VAL 17 7.524 0.859 14.971 120 HG21 VAL 17 HG21 VAL 17 8.565 2.981 12.573 121 HG22 VAL 17 HG22 VAL 17 7.059 3.875 12.778 122 HG23 VAL 17 HG23 VAL 17 7.950 3.312 14.192 123 HA PRO 18 HA PRO 18 6.085 -3.061 11.371 124 HB2 PRO 18 HB3 PRO 18 7.919 -4.920 12.114 125 HB3 PRO 18 HB2 PRO 18 7.976 -4.083 10.559 126 HG2 PRO 18 HG2 PRO 18 9.513 -3.526 13.067 127 HG3 PRO 18 HG3 PRO 18 10.081 -3.543 11.387 128 HD2 PRO 18 HD2 PRO 18 9.510 -1.250 12.709 129 HD3 PRO 18 HD3 PRO 18 9.269 -1.428 10.959 130 H HIS 19 H HIS 19 4.496 -3.507 12.760 131 HA HIS 19 HA HIS 19 5.216 -4.389 15.471 132 HB2 HIS 19 HB2 HIS 19 3.496 -2.144 14.682 133 HB3 HIS 19 HB3 HIS 19 2.747 -3.244 15.835 134 HD1 HIS 19 HD1 HIS 19 4.132 -0.201 16.101 135 HD2 HIS 19 HD2 HIS 19 5.281 -3.821 17.786 136 HE1 HIS 19 HE1 HIS 19 5.501 0.403 18.122 137 H CYS 20 H CYS 20 3.338 -5.548 16.540 138 HA CYS 20 HA CYS 20 2.158 -7.371 14.570 139 HB2 CYS 20 HB2 CYS 20 3.470 -8.504 16.228 140 HB3 CYS 20 HB3 CYS 20 2.660 -7.647 17.536 141 H PHE 21 H PHE 21 0.091 -7.153 14.062 142 HA PHE 21 HA PHE 21 -1.752 -6.057 16.079 143 HB2 PHE 21 HB2 PHE 21 -3.010 -5.040 14.127 144 HB3 PHE 21 HB3 PHE 21 -1.459 -4.297 14.504 145 HD1 PHE 21 HD1 PHE 21 0.485 -4.680 13.050 146 HD2 PHE 21 HD2 PHE 21 -3.382 -6.157 12.060 147 HE1 PHE 21 HE1 PHE 21 1.213 -5.018 10.725 148 HE2 PHE 21 HE2 PHE 21 -2.659 -6.499 9.733 149 HZ PHE 21 HZ PHE 21 -0.359 -5.929 9.063 150 H LEU 22 H LEU 22 -4.033 -6.647 15.708 151 HA LEU 22 HA LEU 22 -4.217 -9.372 14.616 152 HB2 LEU 22 HB2 LEU 22 -5.316 -8.041 16.983 153 HB3 LEU 22 HB3 LEU 22 -6.483 -9.021 16.098 154 HG LEU 22 HG LEU 22 -3.891 -10.307 16.701 155 HD11 LEU 22 HD11 LEU 22 -5.929 -10.008 18.887 156 HD12 LEU 22 HD12 LEU 22 -4.518 -8.958 18.758 157 HD13 LEU 22 HD13 LEU 22 -4.307 -10.694 18.981 158 HD21 LEU 22 HD21 LEU 22 -5.599 -11.557 15.576 159 HD22 LEU 22 HD22 LEU 22 -6.788 -11.134 16.807 160 HD23 LEU 22 HD23 LEU 22 -5.436 -12.191 17.214 161 H ASN 23 H ASN 23 -5.587 -9.823 12.996 162 HA ASN 23 HA ASN 23 -7.318 -7.641 12.043 163 HB2 ASN 23 HB2 ASN 23 -5.338 -8.904 10.664 164 HB3 ASN 23 HB3 ASN 23 -6.736 -9.871 10.201 165 HD21 ASN 23 HD22 ASN 23 -8.140 -9.084 8.753 166 HD22 ASN 23 HD21 ASN 23 -8.043 -7.512 8.044 167 HA PRO 24 HA PRO 24 -10.822 -10.142 13.008 168 HB2 PRO 24 HB3 PRO 24 -12.650 -8.850 11.471 169 HB3 PRO 24 HB2 PRO 24 -12.025 -8.184 12.985 170 HG2 PRO 24 HG2 PRO 24 -11.218 -7.569 10.168 171 HG3 PRO 24 HG3 PRO 24 -11.478 -6.458 11.526 172 HD2 PRO 24 HD2 PRO 24 -9.010 -7.248 10.742 173 HD3 PRO 24 HD3 PRO 24 -9.402 -6.882 12.434 174 H GLU 25 H GLU 25 -9.371 -9.929 9.944 175 HA GLU 25 HA GLU 25 -11.167 -11.976 8.832 176 HB2 GLU 25 HB2 GLU 25 -9.683 -9.734 7.672 177 HB3 GLU 25 HB3 GLU 25 -9.483 -11.237 6.782 178 HG2 GLU 25 HG2 GLU 25 -12.078 -9.865 7.440 179 HG3 GLU 25 HG3 GLU 25 -11.310 -9.980 5.858 180 H LYS 26 H LYS 26 -7.987 -11.385 9.993 181 HA LYS 26 HA LYS 26 -7.229 -14.132 9.261 182 HB2 LYS 26 HB2 LYS 26 -5.122 -12.024 9.469 183 HB3 LYS 26 HB3 LYS 26 -5.116 -13.522 8.549 184 HG2 LYS 26 HG2 LYS 26 -7.092 -12.228 7.280 185 HG3 LYS 26 HG3 LYS 26 -6.127 -10.852 7.820 186 HD2 LYS 26 HD2 LYS 26 -4.121 -12.078 6.843 187 HD3 LYS 26 HD3 LYS 26 -5.291 -13.145 6.062 188 HE2 LYS 26 HE2 LYS 26 -5.970 -10.359 5.681 189 HE3 LYS 26 HE3 LYS 26 -4.341 -10.709 5.107 190 HZ1 LYS 26 HZ1 LYS 26 -5.677 -12.780 4.105 191 HZ2 LYS 26 HZ2 LYS 26 -5.443 -11.330 3.266 192 HZ3 LYS 26 HZ3 LYS 26 -6.899 -11.611 4.078 193 H GLY 27 H GLY 27 -5.828 -11.478 11.196 194 HA2 GLY 27 HA2 GLY 27 -6.254 -11.833 13.700 195 HA3 GLY 27 HA3 GLY 27 -5.518 -13.401 13.407 196 H ILE 28 H ILE 28 -3.644 -13.291 14.496 197 HA ILE 28 HA ILE 28 -2.075 -11.030 14.909 198 HB ILE 28 HB ILE 28 -1.673 -12.927 16.279 199 HG12 ILE 28 HG12 ILE 28 0.345 -11.517 15.134 200 HG13 ILE 28 HG13 ILE 28 0.578 -12.702 16.414 201 HG21 ILE 28 HG21 ILE 28 -2.383 -14.710 14.872 202 HG22 ILE 28 HG22 ILE 28 -1.088 -14.397 13.719 203 HG23 ILE 28 HG23 ILE 28 -0.708 -15.034 15.319 204 HD11 ILE 28 HD11 ILE 28 0.705 -13.431 13.508 205 HD12 ILE 28 HD12 ILE 28 2.109 -12.863 14.412 206 HD13 ILE 28 HD13 ILE 28 1.289 -14.347 14.898 207 H VAL 29 H VAL 29 -0.852 -9.854 13.600 208 HA VAL 29 HA VAL 29 0.631 -11.096 11.437 209 HB VAL 29 HB VAL 29 -1.409 -8.935 10.892 210 HG11 VAL 29 HG11 VAL 29 1.052 -9.613 9.545 211 HG12 VAL 29 HG12 VAL 29 -0.340 -9.845 8.485 212 HG13 VAL 29 HG13 VAL 29 -0.061 -8.279 9.248 213 HG21 VAL 29 HG21 VAL 29 -2.313 -10.632 9.297 214 HG22 VAL 29 HG22 VAL 29 -1.198 -11.806 9.998 215 HG23 VAL 29 HG23 VAL 29 -2.461 -11.084 10.996 216 H VAL 30 H VAL 30 2.569 -10.169 11.231 217 HA VAL 30 HA VAL 30 3.024 -7.611 12.603 218 HB VAL 30 HB VAL 30 4.430 -9.361 13.452 219 HG11 VAL 30 HG11 VAL 30 6.123 -9.999 11.281 220 HG12 VAL 30 HG12 VAL 30 5.039 -11.069 12.172 221 HG13 VAL 30 HG13 VAL 30 4.462 -10.223 10.735 222 HG21 VAL 30 HG21 VAL 30 6.039 -7.584 11.620 223 HG22 VAL 30 HG22 VAL 30 5.436 -7.137 13.216 224 HG23 VAL 30 HG23 VAL 30 6.639 -8.417 13.054 225 H VAL 31 H VAL 31 3.144 -5.867 11.366 226 HA VAL 31 HA VAL 31 4.642 -5.958 8.871 227 HB VAL 31 HB VAL 31 1.887 -4.742 8.868 228 HG11 VAL 31 HG11 VAL 31 3.051 -3.791 7.124 229 HG12 VAL 31 HG12 VAL 31 4.024 -5.236 6.844 230 HG13 VAL 31 HG13 VAL 31 2.336 -5.196 6.334 231 HG21 VAL 31 HG21 VAL 31 1.137 -6.721 7.610 232 HG22 VAL 31 HG22 VAL 31 2.695 -7.489 7.917 233 HG23 VAL 31 HG23 VAL 31 1.612 -7.122 9.260 234 H HIS 32 H HIS 32 5.158 -3.822 8.040 235 HA HIS 32 HA HIS 32 5.218 -1.818 10.193 236 HB2 HIS 32 HB2 HIS 32 7.147 -0.858 8.824 237 HB3 HIS 32 HB3 HIS 32 7.442 -2.394 9.634 238 HD1 HIS 32 HD1 HIS 32 7.571 -4.522 8.112 239 HD2 HIS 32 HD2 HIS 32 7.282 -0.922 6.058 240 HE1 HIS 32 HE1 HIS 32 8.190 -5.054 5.733 241 H GLY 33 H GLY 33 4.828 0.378 9.708 242 HA2 GLY 33 HA2 GLY 33 4.406 1.954 7.764 243 HA3 GLY 33 HA3 GLY 33 3.225 0.755 7.258 244 H GLY 34 H GLY 34 3.504 3.667 8.681 245 HA2 GLY 34 HA2 GLY 34 1.946 3.654 10.966 246 HA3 GLY 34 HA3 GLY 34 2.010 4.987 9.822 247 H CYS 35 H CYS 35 0.950 3.210 7.663 248 HA CYS 35 HA CYS 35 -1.761 3.878 7.891 249 HB2 CYS 35 HB2 CYS 35 -0.116 2.934 5.883 250 HB3 CYS 35 HB3 CYS 35 -1.235 1.599 6.135 251 H ALA 36 H ALA 36 -0.134 0.741 8.293 252 HA ALA 36 HA ALA 36 -2.426 -0.761 8.891 253 HB1 ALA 36 HB1 ALA 36 -1.009 -2.489 9.207 254 HB2 ALA 36 HB2 ALA 36 0.154 -1.383 8.475 255 HB3 ALA 36 HB3 ALA 36 0.080 -1.551 10.229 256 H LEU 37 H LEU 37 -0.420 1.307 10.869 257 HA LEU 37 HA LEU 37 -1.505 0.398 13.368 258 HB2 LEU 37 HB2 LEU 37 0.773 1.448 12.997 259 HB3 LEU 37 HB3 LEU 37 -0.068 2.991 12.865 260 HG LEU 37 HG LEU 37 -0.998 2.438 15.205 261 HD11 LEU 37 HD11 LEU 37 0.073 0.041 14.893 262 HD12 LEU 37 HD12 LEU 37 -0.032 0.812 16.475 263 HD13 LEU 37 HD13 LEU 37 1.484 0.850 15.575 264 HD21 LEU 37 HD21 LEU 37 0.845 4.102 14.474 265 HD22 LEU 37 HD22 LEU 37 1.954 2.926 15.180 266 HD23 LEU 37 HD23 LEU 37 0.706 3.671 16.179 267 H SER 38 H SER 38 -1.958 3.243 11.297 268 HA SER 38 HA SER 38 -3.794 4.585 12.944 269 HB2 SER 38 HB2 SER 38 -3.473 4.662 9.934 270 HB3 SER 38 HB3 SER 38 -4.439 5.803 10.869 271 HG SER 38 HG SER 38 -1.874 5.949 10.345 272 H LYS 39 H LYS 39 -4.279 2.259 10.316 273 HA LYS 39 HA LYS 39 -7.131 2.344 10.463 274 HB2 LYS 39 HB2 LYS 39 -5.275 0.311 9.213 275 HB3 LYS 39 HB3 LYS 39 -7.020 0.338 9.000 276 HG2 LYS 39 HG2 LYS 39 -6.514 2.817 8.217 277 HG3 LYS 39 HG3 LYS 39 -4.938 2.110 7.856 278 HD2 LYS 39 HD2 LYS 39 -7.555 0.955 6.905 279 HD3 LYS 39 HD3 LYS 39 -6.567 2.066 5.954 280 HE2 LYS 39 HE2 LYS 39 -5.553 -0.549 7.055 281 HE3 LYS 39 HE3 LYS 39 -6.240 -0.372 5.441 282 HZ1 LYS 39 HZ1 LYS 39 -4.277 0.307 4.720 283 HZ2 LYS 39 HZ2 LYS 39 -3.619 0.140 6.270 284 HZ3 LYS 39 HZ3 LYS 39 -4.300 1.613 5.795 285 H TYR 40 H TYR 40 -4.619 0.370 11.911 286 HA TYR 40 HA TYR 40 -6.090 -1.781 12.836 287 HB2 TYR 40 HB2 TYR 40 -3.742 -1.863 13.113 288 HB3 TYR 40 HB3 TYR 40 -3.711 -0.342 14.000 289 HD1 TYR 40 HD2 TYR 40 -4.913 -3.857 14.233 290 HD2 TYR 40 HD1 TYR 40 -3.761 -0.342 16.335 291 HE1 TYR 40 HE2 TYR 40 -5.015 -5.098 16.354 292 HE2 TYR 40 HE1 TYR 40 -3.858 -1.574 18.461 293 HH TYR 40 HH TYR 40 -4.217 -5.010 18.578 294 H LYS 41 H LYS 41 -5.719 1.435 14.251 295 HA LYS 41 HA LYS 41 -7.172 0.861 16.629 296 HB2 LYS 41 HB2 LYS 41 -5.555 2.738 16.399 297 HB3 LYS 41 HB3 LYS 41 -6.685 3.542 15.318 298 HG2 LYS 41 HG2 LYS 41 -8.326 3.673 17.116 299 HG3 LYS 41 HG3 LYS 41 -7.207 2.847 18.202 300 HD2 LYS 41 HD2 LYS 41 -5.582 4.773 17.577 301 HD3 LYS 41 HD3 LYS 41 -7.046 5.609 17.056 302 HE2 LYS 41 HE2 LYS 41 -8.007 5.323 19.281 303 HE3 LYS 41 HE3 LYS 41 -6.565 4.454 19.802 304 HZ1 LYS 41 HZ1 LYS 41 -6.922 7.317 19.282 305 HZ2 LYS 41 HZ2 LYS 41 -5.399 6.634 19.005 306 HZ3 LYS 41 HZ3 LYS 41 -6.098 6.545 20.542 307 H CYS 42 H CYS 42 -8.072 1.695 13.401 308 HA CYS 42 HA CYS 42 -10.730 2.581 14.098 309 HB2 CYS 42 HB2 CYS 42 -10.178 3.628 12.150 310 HB3 CYS 42 HB3 CYS 42 -9.136 2.313 11.615 311 H GLN 43 H GLN 43 -9.360 -0.228 12.386 312 HA GLN 43 HA GLN 43 -11.778 -1.621 12.089 313 HB2 GLN 43 HB2 GLN 43 -10.218 -3.655 11.920 314 HB3 GLN 43 HB3 GLN 43 -10.015 -2.366 10.740 315 HG2 GLN 43 HG2 GLN 43 -7.897 -2.132 11.316 316 HG3 GLN 43 HG3 GLN 43 -8.359 -1.813 12.988 317 HE21 GLN 43 HE22 GLN 43 -8.662 -4.731 11.009 318 HE22 GLN 43 HE21 GLN 43 -7.725 -5.745 12.048 319 H ASN 44 H ASN 44 -9.301 -1.768 14.621 320 HA ASN 44 HA ASN 44 -11.291 -3.005 16.388 321 HB2 ASN 44 HB2 ASN 44 -8.403 -3.893 16.256 322 HB3 ASN 44 HB3 ASN 44 -9.677 -4.581 17.258 323 HD21 ASN 44 HD22 ASN 44 -11.744 -4.895 15.609 324 HD22 ASN 44 HD21 ASN 44 -11.350 -5.966 14.311 325 HA PRO 45 HA PRO 45 -9.322 0.688 18.349 326 HB2 PRO 45 HB3 PRO 45 -11.637 1.636 19.402 327 HB3 PRO 45 HB2 PRO 45 -11.109 2.004 17.755 328 HG2 PRO 45 HG2 PRO 45 -13.089 -0.034 18.699 329 HG3 PRO 45 HG3 PRO 45 -13.192 1.069 17.314 330 HD2 PRO 45 HD2 PRO 45 -12.509 -1.539 17.053 331 HD3 PRO 45 HD3 PRO 45 -11.866 -0.272 15.988 332 H ASN 46 H ASN 46 -10.915 -2.113 19.357 333 HA ASN 46 HA ASN 46 -10.510 -1.495 22.201 334 HB2 ASN 46 HB2 ASN 46 -11.955 -3.411 22.667 335 HB3 ASN 46 HB3 ASN 46 -12.760 -2.286 21.577 336 HD21 ASN 46 HD22 ASN 46 -13.474 -3.003 19.674 337 HD22 ASN 46 HD21 ASN 46 -13.191 -4.585 19.041 338 H HIS 47 H HIS 47 -9.266 -3.308 19.582 339 HA HIS 47 HA HIS 47 -8.065 -5.438 21.011 340 HB2 HIS 47 HB2 HIS 47 -7.796 -4.266 18.292 341 HB3 HIS 47 HB3 HIS 47 -6.464 -5.261 18.872 342 HD1 HIS 47 HD1 HIS 47 -9.784 -6.301 20.066 343 HD2 HIS 47 HD2 HIS 47 -7.289 -7.132 16.849 344 HE1 HIS 47 HE1 HIS 47 -10.694 -8.407 19.036 345 H GLU 48 H GLU 48 -5.664 -5.739 21.153 346 HA GLU 48 HA GLU 48 -4.334 -3.216 21.895 347 HB2 GLU 48 HB2 GLU 48 -5.099 -5.149 23.673 348 HB3 GLU 48 HB3 GLU 48 -3.444 -5.628 23.320 349 HG2 GLU 48 HG2 GLU 48 -2.673 -3.386 23.929 350 HG3 GLU 48 HG3 GLU 48 -4.332 -2.928 24.311 351 H LYS 49 H LYS 49 -2.680 -2.837 20.593 352 HA LYS 49 HA LYS 49 -1.505 -4.868 18.963 353 HB2 LYS 49 HB2 LYS 49 -1.628 -2.680 18.037 354 HB3 LYS 49 HB3 LYS 49 -0.845 -1.965 19.440 355 HG2 LYS 49 HG2 LYS 49 1.235 -3.143 18.846 356 HG3 LYS 49 HG3 LYS 49 0.439 -3.773 17.402 357 HD2 LYS 49 HD2 LYS 49 1.371 -1.940 16.454 358 HD3 LYS 49 HD3 LYS 49 -0.077 -1.157 17.092 359 HE2 LYS 49 HE2 LYS 49 2.356 -1.366 18.809 360 HE3 LYS 49 HE3 LYS 49 2.300 -0.145 17.538 361 HZ1 LYS 49 HZ1 LYS 49 -0.121 -0.090 18.960 362 HZ2 LYS 49 HZ2 LYS 49 1.057 1.118 18.839 363 HZ3 LYS 49 HZ3 LYS 49 1.151 -0.032 20.074 364 H LEU 50 H LEU 50 0.383 -5.951 19.197 365 HA LEU 50 HA LEU 50 2.100 -6.960 20.305 366 HB2 LEU 50 HB2 LEU 50 2.773 -4.380 19.816 367 HB3 LEU 50 HB3 LEU 50 2.999 -4.457 21.563 368 HG LEU 50 HG LEU 50 4.433 -6.557 21.026 369 HD11 LEU 50 HD11 LEU 50 4.048 -5.303 18.356 370 HD12 LEU 50 HD12 LEU 50 4.180 -7.004 18.798 371 HD13 LEU 50 HD13 LEU 50 5.622 -5.991 18.753 372 HD21 LEU 50 HD21 LEU 50 5.237 -3.701 20.539 373 HD22 LEU 50 HD22 LEU 50 6.401 -5.026 20.551 374 HD23 LEU 50 HD23 LEU 50 5.455 -4.670 21.997 375 H GLY 51 H GLY 51 3.415 -6.419 22.682 376 HA2 GLY 51 HA2 GLY 51 2.663 -5.841 25.015 377 HA3 GLY 51 HA3 GLY 51 1.237 -6.799 24.642 378 H TYR 52 H TYR 52 4.230 -7.903 23.365 379 HA TYR 52 HA TYR 52 5.495 -9.748 23.773 380 HB2 TYR 52 HB2 TYR 52 6.117 -8.510 25.806 381 HB3 TYR 52 HB3 TYR 52 4.739 -9.203 26.652 382 HD1 TYR 52 HD2 TYR 52 7.218 -10.813 24.378 383 HD2 TYR 52 HD1 TYR 52 5.627 -10.560 28.316 384 HE1 TYR 52 HE2 TYR 52 8.603 -12.729 25.054 385 HE2 TYR 52 HE1 TYR 52 7.008 -12.475 29.004 386 HH TYR 52 HH TYR 52 9.099 -14.160 26.680 387 H THR 53 H THR 53 3.836 -10.961 22.634 388 HA THR 53 HA THR 53 2.546 -12.925 24.405 389 HB THR 53 HB THR 53 0.681 -11.688 23.728 390 HG1 THR 53 HG1 THR 53 -0.406 -13.115 22.356 391 HG21 THR 53 HG21 THR 53 0.295 -10.894 21.450 392 HG22 THR 53 HG22 THR 53 1.818 -11.613 20.930 393 HG23 THR 53 HG23 THR 53 1.822 -10.274 22.077 394 H HIS 54 H HIS 54 2.439 -15.036 23.630 395 HA HIS 54 HA HIS 54 4.544 -15.970 22.102 396 HB2 HIS 54 HB2 HIS 54 3.440 -18.107 22.087 397 HB3 HIS 54 HB3 HIS 54 3.115 -17.338 23.637 398 HD1 HIS 54 HD1 HIS 54 1.442 -19.242 21.212 399 HD2 HIS 54 HD2 HIS 54 0.445 -15.825 23.355 400 HE1 HIS 54 HE1 HIS 54 -1.068 -19.106 21.131 401 H GLU 55 H GLU 55 1.353 -14.933 21.090 402 HA GLU 55 HA GLU 55 1.487 -15.955 18.446 403 HB2 GLU 55 HB2 GLU 55 -0.159 -13.728 19.652 404 HB3 GLU 55 HB3 GLU 55 -0.359 -14.305 18.004 405 HG2 GLU 55 HG2 GLU 55 -0.494 -16.620 19.456 406 HG3 GLU 55 HG3 GLU 55 -1.279 -15.452 20.518 407 H CYS 56 H CYS 56 2.667 -13.064 19.982 408 HA CYS 56 HA CYS 56 3.532 -12.021 17.369 409 HB2 CYS 56 HB2 CYS 56 3.237 -10.572 20.009 410 HB3 CYS 56 HB3 CYS 56 3.772 -9.842 18.498 411 H GLU 57 H GLU 57 4.817 -14.143 19.015 412 HA GLU 57 HA GLU 57 7.170 -13.039 20.186 413 HB2 GLU 57 HB2 GLU 57 6.046 -15.351 20.585 414 HB3 GLU 57 HB3 GLU 57 6.981 -15.863 19.187 415 HG2 GLU 57 HG2 GLU 57 9.041 -15.214 20.315 416 HG3 GLU 57 HG3 GLU 57 8.110 -14.682 21.715 417 H GLU 58 H GLU 58 6.276 -14.081 16.988 418 HA GLU 58 HA GLU 58 8.979 -14.174 15.998 419 HB2 GLU 58 HB2 GLU 58 7.157 -15.576 15.054 420 HB3 GLU 58 HB3 GLU 58 6.380 -14.116 14.457 421 HG2 GLU 58 HG2 GLU 58 7.639 -14.110 12.640 422 HG3 GLU 58 HG3 GLU 58 9.116 -14.204 13.597 423 H ALA 59 H ALA 59 6.458 -11.811 16.284 424 HA ALA 59 HA ALA 59 7.255 -9.984 14.314 425 HB1 ALA 59 HB1 ALA 59 5.871 -9.532 16.953 426 HB2 ALA 59 HB2 ALA 59 6.064 -8.297 15.708 427 HB3 ALA 59 HB3 ALA 59 5.121 -9.748 15.371 428 H ILE 60 H ILE 60 8.626 -10.764 17.389 429 HA ILE 60 HA ILE 60 10.000 -8.394 17.967 430 HB ILE 60 HB ILE 60 10.896 -11.214 18.572 431 HG12 ILE 60 HG12 ILE 60 9.264 -9.326 20.281 432 HG13 ILE 60 HG13 ILE 60 8.585 -10.659 19.353 433 HG21 ILE 60 HG21 ILE 60 11.642 -9.445 20.613 434 HG22 ILE 60 HG22 ILE 60 12.694 -10.256 19.454 435 HG23 ILE 60 HG23 ILE 60 12.066 -8.647 19.099 436 HD11 ILE 60 HD11 ILE 60 8.775 -11.523 21.489 437 HD12 ILE 60 HD12 ILE 60 10.220 -12.130 20.681 438 HD13 ILE 60 HD13 ILE 60 10.334 -10.748 21.772 439 H LYS 61 H LYS 61 11.237 -11.336 16.369 440 HA LYS 61 HA LYS 61 13.720 -10.216 15.643 441 HB2 LYS 61 HB2 LYS 61 13.850 -12.140 14.049 442 HB3 LYS 61 HB3 LYS 61 13.481 -12.601 15.706 443 HG2 LYS 61 HG2 LYS 61 11.166 -12.920 15.163 444 HG3 LYS 61 HG3 LYS 61 11.418 -12.284 13.536 445 HD2 LYS 61 HD2 LYS 61 12.806 -14.736 14.608 446 HD3 LYS 61 HD3 LYS 61 11.298 -14.786 13.692 447 HE2 LYS 61 HE2 LYS 61 12.667 -13.347 11.976 448 HE3 LYS 61 HE3 LYS 61 14.051 -14.072 12.793 449 HZ1 LYS 61 HZ1 LYS 61 12.144 -15.269 10.988 450 HZ2 LYS 61 HZ2 LYS 61 12.470 -16.201 12.362 451 HZ3 LYS 61 HZ3 LYS 61 13.734 -15.726 11.344 452 H ASN 62 H ASN 62 10.602 -10.333 14.025 453 HA ASN 62 HA ASN 62 11.464 -9.459 11.486 454 HB2 ASN 62 HB2 ASN 62 9.113 -10.370 12.448 455 HB3 ASN 62 HB3 ASN 62 8.762 -8.646 12.394 456 HD21 ASN 62 HD22 ASN 62 9.897 -7.721 10.217 457 HD22 ASN 62 HD21 ASN 62 9.330 -8.526 8.797 458 H ALA 63 H ALA 63 10.543 -7.747 14.411 459 HA ALA 63 HA ALA 63 10.827 -5.165 13.074 460 HB1 ALA 63 HB1 ALA 63 9.640 -6.085 15.634 461 HB2 ALA 63 HB2 ALA 63 10.257 -4.435 15.556 462 HB3 ALA 63 HB3 ALA 63 9.007 -4.963 14.429 463 HA PRO 64 HA PRO 64 14.861 -4.266 14.546 464 HB2 PRO 64 HB3 PRO 64 14.669 -1.641 15.210 465 HB3 PRO 64 HB2 PRO 64 14.668 -2.211 13.537 466 HG2 PRO 64 HG2 PRO 64 12.358 -1.429 15.274 467 HG3 PRO 64 HG3 PRO 64 12.657 -1.043 13.569 468 HD2 PRO 64 HD2 PRO 64 10.965 -3.010 14.342 469 HD3 PRO 64 HD3 PRO 64 11.910 -3.099 12.842 470 H ARG 65 H ARG 65 16.088 -4.216 16.391 471 HA ARG 65 HA ARG 65 14.611 -3.989 18.930 472 HB2 ARG 65 HB2 ARG 65 17.113 -5.596 18.383 473 HB3 ARG 65 HB3 ARG 65 16.203 -5.558 19.888 474 HG2 ARG 65 HG2 ARG 65 14.301 -6.595 18.789 475 HG3 ARG 65 HG3 ARG 65 15.172 -6.590 17.254 476 HD2 ARG 65 HD2 ARG 65 16.919 -7.826 19.009 477 HD3 ARG 65 HD3 ARG 65 15.337 -8.441 19.486 478 HE ARG 65 HE ARG 65 15.295 -9.668 17.565 479 HH11 ARG 65 HH11 ARG 65 17.615 -7.098 17.195 480 HH12 ARG 65 HH12 ARG 65 18.185 -7.658 15.658 481 HH21 ARG 65 HH22 ARG 65 16.037 -10.414 15.541 482 HH22 ARG 65 HH21 ARG 65 17.286 -9.543 14.717 483 HA PRO 66 HA PRO 66 17.521 -0.456 19.019 484 HB2 PRO 66 HB3 PRO 66 15.923 1.084 20.583 485 HB3 PRO 66 HB2 PRO 66 15.738 0.981 18.828 486 HG2 PRO 66 HG2 PRO 66 14.205 -0.427 20.979 487 HG3 PRO 66 HG3 PRO 66 13.605 0.342 19.498 488 HD2 PRO 66 HD2 PRO 66 13.946 -2.336 19.715 489 HD3 PRO 66 HD3 PRO 66 14.167 -1.466 18.183 Start of MODEL 15 1 H1 VAL 1 H1 VAL 1 -8.030 -8.644 0.954 2 HA VAL 1 HA VAL 1 -5.138 -9.014 1.359 3 HB VAL 1 HB VAL 1 -5.024 -6.454 1.434 4 HG11 VAL 1 HG11 VAL 1 -5.440 -7.996 -1.116 5 HG12 VAL 1 HG12 VAL 1 -4.857 -6.331 -1.082 6 HG13 VAL 1 HG13 VAL 1 -3.918 -7.612 -0.312 7 HG21 VAL 1 HG21 VAL 1 -6.781 -5.199 0.850 8 HG22 VAL 1 HG22 VAL 1 -7.176 -6.240 -0.518 9 HG23 VAL 1 HG23 VAL 1 -7.746 -6.654 1.099 10 HA PRO 2 HA PRO 2 -5.890 -8.484 5.651 11 HB2 PRO 2 HB3 PRO 2 -3.621 -7.224 6.447 12 HB3 PRO 2 HB2 PRO 2 -3.660 -8.928 5.981 13 HG2 PRO 2 HG2 PRO 2 -2.814 -6.545 4.378 14 HG3 PRO 2 HG3 PRO 2 -2.048 -8.140 4.501 15 HD2 PRO 2 HD2 PRO 2 -3.614 -7.433 2.408 16 HD3 PRO 2 HD3 PRO 2 -3.520 -9.100 3.010 17 H VAL 3 H VAL 3 -7.018 -7.091 6.867 18 HA VAL 3 HA VAL 3 -8.129 -5.189 7.468 19 HB VAL 3 HB VAL 3 -5.549 -3.730 6.944 20 HG11 VAL 3 HG11 VAL 3 -7.092 -3.262 9.395 21 HG12 VAL 3 HG12 VAL 3 -6.369 -2.111 8.269 22 HG13 VAL 3 HG13 VAL 3 -7.932 -2.842 7.903 23 HG21 VAL 3 HG21 VAL 3 -4.524 -5.244 8.237 24 HG22 VAL 3 HG22 VAL 3 -5.422 -4.514 9.568 25 HG23 VAL 3 HG23 VAL 3 -6.048 -5.955 8.768 26 H GLY 4 H GLY 4 -8.468 -5.843 4.764 27 HA2 GLY 4 HA2 GLY 4 -8.277 -3.291 3.331 28 HA3 GLY 4 HA3 GLY 4 -8.643 -4.852 2.612 29 H SER 5 H SER 5 -10.737 -5.819 3.870 30 HA SER 5 HA SER 5 -12.825 -3.867 3.273 31 HB2 SER 5 HB2 SER 5 -12.648 -6.400 2.468 32 HB3 SER 5 HB3 SER 5 -13.476 -6.686 3.998 33 HG SER 5 HG SER 5 -15.230 -5.797 3.221 34 H ASP 6 H ASP 6 -11.147 -4.076 5.822 35 HA ASP 6 HA ASP 6 -13.401 -4.215 7.716 36 HB2 ASP 6 HB2 ASP 6 -10.516 -4.502 8.521 37 HB3 ASP 6 HB3 ASP 6 -11.958 -5.000 9.401 38 H CYS 7 H CYS 7 -11.026 -2.243 6.292 39 HA CYS 7 HA CYS 7 -11.934 0.049 7.775 40 HB2 CYS 7 HB2 CYS 7 -10.279 -0.618 9.354 41 HB3 CYS 7 HB3 CYS 7 -9.110 -0.968 8.085 42 H GLU 8 H GLU 8 -11.622 1.949 6.674 43 HA GLU 8 HA GLU 8 -10.448 1.674 3.996 44 HB2 GLU 8 HB2 GLU 8 -12.792 2.330 4.016 45 HB3 GLU 8 HB3 GLU 8 -12.429 3.683 5.079 46 HG2 GLU 8 HG2 GLU 8 -11.724 4.979 3.399 47 HG3 GLU 8 HG3 GLU 8 -10.882 3.655 2.596 48 HA PRO 9 HA PRO 9 -7.191 4.181 5.907 49 HB2 PRO 9 HB3 PRO 9 -5.345 3.607 4.002 50 HB3 PRO 9 HB2 PRO 9 -5.705 2.520 5.349 51 HG2 PRO 9 HG2 PRO 9 -6.680 2.418 2.521 52 HG3 PRO 9 HG3 PRO 9 -6.116 1.095 3.558 53 HD2 PRO 9 HD2 PRO 9 -8.743 1.594 3.133 54 HD3 PRO 9 HD3 PRO 9 -8.132 0.935 4.664 55 H LYS 10 H LYS 10 -7.252 6.311 5.617 56 HA LYS 10 HA LYS 10 -6.715 7.478 3.044 57 HB2 LYS 10 HB2 LYS 10 -9.453 7.530 4.233 58 HB3 LYS 10 HB3 LYS 10 -8.875 8.968 3.403 59 HG2 LYS 10 HG2 LYS 10 -8.332 7.413 1.453 60 HG3 LYS 10 HG3 LYS 10 -9.334 6.224 2.289 61 HD2 LYS 10 HD2 LYS 10 -11.104 7.154 1.309 62 HD3 LYS 10 HD3 LYS 10 -10.831 8.579 2.314 63 HE2 LYS 10 HE2 LYS 10 -10.982 9.214 -0.022 64 HE3 LYS 10 HE3 LYS 10 -9.350 9.496 0.582 65 HZ1 LYS 10 HZ1 LYS 10 -9.857 6.910 -0.659 66 HZ2 LYS 10 HZ2 LYS 10 -8.486 7.898 -0.736 67 HZ3 LYS 10 HZ3 LYS 10 -9.836 8.250 -1.692 68 H LEU 11 H LEU 11 -5.751 7.403 5.888 69 HA LEU 11 HA LEU 11 -4.780 10.009 6.072 70 HB2 LEU 11 HB2 LEU 11 -7.407 9.944 6.855 71 HB3 LEU 11 HB3 LEU 11 -6.549 9.773 8.385 72 HG LEU 11 HG LEU 11 -7.101 12.098 7.959 73 HD11 LEU 11 HD11 LEU 11 -4.763 11.204 8.868 74 HD12 LEU 11 HD12 LEU 11 -5.123 12.922 8.699 75 HD13 LEU 11 HD13 LEU 11 -4.183 12.092 7.459 76 HD21 LEU 11 HD21 LEU 11 -5.440 11.795 5.459 77 HD22 LEU 11 HD22 LEU 11 -6.111 13.304 6.077 78 HD23 LEU 11 HD23 LEU 11 -7.189 12.022 5.524 79 H CYS 12 H CYS 12 -2.914 9.740 7.087 80 HA CYS 12 HA CYS 12 -2.734 8.425 9.626 81 HB2 CYS 12 HB2 CYS 12 -1.211 6.647 8.981 82 HB3 CYS 12 HB3 CYS 12 -2.721 6.480 8.091 83 H THR 13 H THR 13 -0.238 8.162 10.159 84 HA THR 13 HA THR 13 1.146 10.558 9.145 85 HB THR 13 HB THR 13 2.135 10.152 11.715 86 HG1 THR 13 HG1 THR 13 0.538 9.458 12.911 87 HG21 THR 13 HG21 THR 13 0.865 12.256 12.223 88 HG22 THR 13 HG22 THR 13 0.097 12.101 10.643 89 HG23 THR 13 HG23 THR 13 1.843 12.325 10.757 90 H MET 14 H MET 14 3.287 10.364 8.688 91 HA MET 14 HA MET 14 4.392 7.922 8.049 92 HB2 MET 14 HB2 MET 14 6.624 9.170 8.185 93 HB3 MET 14 HB3 MET 14 5.404 9.814 7.094 94 HG2 MET 14 HG2 MET 14 4.877 11.579 8.568 95 HG3 MET 14 HG3 MET 14 5.775 10.837 9.890 96 HE1 MET 14 HE1 MET 14 5.770 13.197 6.951 97 HE2 MET 14 HE2 MET 14 7.447 13.295 6.410 98 HE3 MET 14 HE3 MET 14 6.496 11.847 6.077 99 H ASP 15 H ASP 15 5.259 6.301 9.166 100 HA ASP 15 HA ASP 15 6.589 6.771 11.697 101 HB2 ASP 15 HB2 ASP 15 3.877 6.056 11.701 102 HB3 ASP 15 HB3 ASP 15 4.748 4.570 12.069 103 H LEU 16 H LEU 16 7.034 4.344 12.635 104 HA LEU 16 HA LEU 16 7.499 2.319 10.712 105 HB2 LEU 16 HB2 LEU 16 9.220 4.141 10.154 106 HB3 LEU 16 HB3 LEU 16 10.020 3.651 11.646 107 HG LEU 16 HG LEU 16 9.786 1.259 10.409 108 HD11 LEU 16 HD11 LEU 16 9.052 1.664 8.316 109 HD12 LEU 16 HD12 LEU 16 10.747 2.057 8.030 110 HD13 LEU 16 HD13 LEU 16 9.583 3.346 8.336 111 HD21 LEU 16 HD21 LEU 16 11.812 2.134 11.397 112 HD22 LEU 16 HD22 LEU 16 11.990 3.291 10.077 113 HD23 LEU 16 HD23 LEU 16 12.145 1.563 9.761 114 H VAL 17 H VAL 17 6.355 2.420 13.257 115 HA VAL 17 HA VAL 17 8.309 1.029 14.960 116 HB VAL 17 HB VAL 17 5.628 2.199 15.721 117 HG11 VAL 17 HG11 VAL 17 5.942 0.538 17.283 118 HG12 VAL 17 HG12 VAL 17 7.701 0.660 17.219 119 HG13 VAL 17 HG13 VAL 17 6.760 1.893 18.058 120 HG21 VAL 17 HG21 VAL 17 8.378 3.213 16.423 121 HG22 VAL 17 HG22 VAL 17 7.399 3.856 15.104 122 HG23 VAL 17 HG23 VAL 17 6.828 3.980 16.768 123 HA PRO 18 HA PRO 18 6.140 -2.682 13.712 124 HB2 PRO 18 HB3 PRO 18 7.765 -4.385 15.065 125 HB3 PRO 18 HB2 PRO 18 8.212 -3.656 13.519 126 HG2 PRO 18 HG2 PRO 18 8.997 -2.845 16.291 127 HG3 PRO 18 HG3 PRO 18 9.997 -2.949 14.831 128 HD2 PRO 18 HD2 PRO 18 9.016 -0.603 15.762 129 HD3 PRO 18 HD3 PRO 18 9.262 -0.915 14.032 130 H HIS 19 H HIS 19 4.246 -3.093 14.663 131 HA HIS 19 HA HIS 19 4.239 -3.818 17.507 132 HB2 HIS 19 HB2 HIS 19 3.169 -1.436 16.527 133 HB3 HIS 19 HB3 HIS 19 1.775 -2.494 16.723 134 HD1 HIS 19 HD1 HIS 19 1.418 -3.477 19.184 135 HD2 HIS 19 HD2 HIS 19 4.153 -0.368 18.847 136 HE1 HIS 19 HE1 HIS 19 1.751 -2.617 21.524 137 H CYS 20 H CYS 20 2.208 -4.981 18.129 138 HA CYS 20 HA CYS 20 1.457 -6.809 15.960 139 HB2 CYS 20 HB2 CYS 20 0.756 -7.368 18.804 140 HB3 CYS 20 HB3 CYS 20 1.223 -8.482 17.523 141 H PHE 21 H PHE 21 -0.642 -7.167 15.386 142 HA PHE 21 HA PHE 21 -2.773 -5.857 16.890 143 HB2 PHE 21 HB2 PHE 21 -3.457 -4.425 15.247 144 HB3 PHE 21 HB3 PHE 21 -1.743 -4.469 14.848 145 HD1 PHE 21 HD2 PHE 21 -0.955 -5.920 12.986 146 HD2 PHE 21 HD1 PHE 21 -5.088 -5.260 13.764 147 HE1 PHE 21 HE2 PHE 21 -1.504 -6.709 10.722 148 HE2 PHE 21 HE1 PHE 21 -5.643 -6.049 11.500 149 HZ PHE 21 HZ PHE 21 -3.850 -6.774 9.975 150 H LEU 22 H LEU 22 -4.939 -6.532 16.157 151 HA LEU 22 HA LEU 22 -4.874 -9.335 15.316 152 HB2 LEU 22 HB2 LEU 22 -6.291 -7.934 17.289 153 HB3 LEU 22 HB3 LEU 22 -7.482 -8.380 16.068 154 HG LEU 22 HG LEU 22 -7.424 -10.049 17.809 155 HD11 LEU 22 HD11 LEU 22 -7.655 -10.667 15.344 156 HD12 LEU 22 HD12 LEU 22 -7.267 -11.964 16.474 157 HD13 LEU 22 HD13 LEU 22 -6.001 -11.266 15.464 158 HD21 LEU 22 HD21 LEU 22 -4.554 -10.612 17.117 159 HD22 LEU 22 HD22 LEU 22 -5.499 -11.228 18.472 160 HD23 LEU 22 HD23 LEU 22 -5.015 -9.533 18.434 161 H ASN 23 H ASN 23 -5.588 -9.976 13.389 162 HA ASN 23 HA ASN 23 -7.102 -8.043 11.760 163 HB2 ASN 23 HB2 ASN 23 -4.704 -8.771 11.068 164 HB3 ASN 23 HB3 ASN 23 -5.475 -10.278 10.583 165 HD21 ASN 23 HD22 ASN 23 -4.156 -8.597 8.808 166 HD22 ASN 23 HD21 ASN 23 -5.310 -7.941 7.703 167 HA PRO 24 HA PRO 24 -10.305 -11.140 12.107 168 HB2 PRO 24 HB3 PRO 24 -12.167 -9.738 10.716 169 HB3 PRO 24 HB2 PRO 24 -11.763 -9.388 12.401 170 HG2 PRO 24 HG2 PRO 24 -10.829 -8.022 9.907 171 HG3 PRO 24 HG3 PRO 24 -11.347 -7.310 11.445 172 HD2 PRO 24 HD2 PRO 24 -8.739 -7.594 10.777 173 HD3 PRO 24 HD3 PRO 24 -9.312 -7.696 12.455 174 H GLU 25 H GLU 25 -9.084 -9.683 9.168 175 HA GLU 25 HA GLU 25 -10.446 -11.444 7.376 176 HB2 GLU 25 HB2 GLU 25 -8.744 -9.157 7.174 177 HB3 GLU 25 HB3 GLU 25 -8.084 -10.434 6.163 178 HG2 GLU 25 HG2 GLU 25 -9.983 -10.531 4.827 179 HG3 GLU 25 HG3 GLU 25 -10.982 -9.709 6.024 180 H LYS 26 H LYS 26 -7.613 -11.664 9.301 181 HA LYS 26 HA LYS 26 -7.104 -14.337 8.252 182 HB2 LYS 26 HB2 LYS 26 -4.541 -13.547 8.555 183 HB3 LYS 26 HB3 LYS 26 -5.392 -13.519 7.017 184 HG2 LYS 26 HG2 LYS 26 -5.620 -11.240 7.024 185 HG3 LYS 26 HG3 LYS 26 -5.541 -11.128 8.784 186 HD2 LYS 26 HD2 LYS 26 -3.520 -10.217 7.809 187 HD3 LYS 26 HD3 LYS 26 -3.144 -11.702 8.686 188 HE2 LYS 26 HE2 LYS 26 -3.162 -12.942 6.570 189 HE3 LYS 26 HE3 LYS 26 -3.520 -11.450 5.702 190 HZ1 LYS 26 HZ1 LYS 26 -1.332 -11.206 5.532 191 HZ2 LYS 26 HZ2 LYS 26 -1.013 -12.438 6.647 192 HZ3 LYS 26 HZ3 LYS 26 -1.304 -10.862 7.188 193 H GLY 27 H GLY 27 -5.227 -12.186 10.374 194 HA2 GLY 27 HA2 GLY 27 -6.152 -13.101 12.831 195 HA3 GLY 27 HA3 GLY 27 -4.864 -14.193 12.344 196 H ILE 28 H ILE 28 -3.825 -13.387 14.316 197 HA ILE 28 HA ILE 28 -3.051 -10.726 14.694 198 HB ILE 28 HB ILE 28 -2.862 -12.325 16.494 199 HG12 ILE 28 HG12 ILE 28 -1.101 -10.362 16.019 200 HG13 ILE 28 HG13 ILE 28 -1.003 -11.395 17.441 201 HG21 ILE 28 HG21 ILE 28 -0.840 -13.677 14.722 202 HG22 ILE 28 HG22 ILE 28 -1.007 -14.019 16.443 203 HG23 ILE 28 HG23 ILE 28 -2.350 -14.341 15.346 204 HD11 ILE 28 HD11 ILE 28 0.438 -12.132 14.931 205 HD12 ILE 28 HD12 ILE 28 1.120 -10.956 16.055 206 HD13 ILE 28 HD13 ILE 28 0.780 -12.600 16.597 207 H VAL 29 H VAL 29 -1.353 -9.515 14.014 208 HA VAL 29 HA VAL 29 0.804 -10.728 12.491 209 HB VAL 29 HB VAL 29 -0.995 -8.632 11.267 210 HG11 VAL 29 HG11 VAL 29 1.732 -9.590 10.605 211 HG12 VAL 29 HG12 VAL 29 0.622 -9.299 9.264 212 HG13 VAL 29 HG13 VAL 29 1.006 -7.997 10.390 213 HG21 VAL 29 HG21 VAL 29 -0.576 -11.554 10.735 214 HG22 VAL 29 HG22 VAL 29 -2.086 -10.674 10.971 215 HG23 VAL 29 HG23 VAL 29 -1.171 -10.470 9.478 216 H VAL 30 H VAL 30 2.667 -9.495 12.437 217 HA VAL 30 HA VAL 30 2.578 -6.990 13.991 218 HB VAL 30 HB VAL 30 4.860 -7.465 14.741 219 HG11 VAL 30 HG11 VAL 30 4.270 -8.916 16.434 220 HG12 VAL 30 HG12 VAL 30 2.690 -8.378 15.863 221 HG13 VAL 30 HG13 VAL 30 3.322 -9.947 15.364 222 HG21 VAL 30 HG21 VAL 30 5.359 -10.100 14.315 223 HG22 VAL 30 HG22 VAL 30 4.610 -9.640 12.786 224 HG23 VAL 30 HG23 VAL 30 6.043 -8.786 13.358 225 H VAL 31 H VAL 31 3.232 -5.214 12.975 226 HA VAL 31 HA VAL 31 5.281 -5.342 10.920 227 HB VAL 31 HB VAL 31 3.956 -4.111 9.262 228 HG11 VAL 31 HG11 VAL 31 4.116 -6.562 9.145 229 HG12 VAL 31 HG12 VAL 31 2.635 -6.692 10.096 230 HG13 VAL 31 HG13 VAL 31 2.592 -5.964 8.490 231 HG21 VAL 31 HG21 VAL 31 2.253 -3.578 11.357 232 HG22 VAL 31 HG22 VAL 31 1.929 -3.257 9.653 233 HG23 VAL 31 HG23 VAL 31 1.349 -4.748 10.395 234 H HIS 32 H HIS 32 6.129 -3.255 10.347 235 HA HIS 32 HA HIS 32 5.695 -1.270 12.471 236 HB2 HIS 32 HB2 HIS 32 7.930 -0.381 11.761 237 HB3 HIS 32 HB3 HIS 32 7.975 -2.024 12.395 238 HD1 HIS 32 HD1 HIS 32 9.369 -3.547 11.051 239 HD2 HIS 32 HD2 HIS 32 7.755 -0.499 8.734 240 HE1 HIS 32 HE1 HIS 32 10.281 -3.908 8.736 241 H GLY 33 H GLY 33 5.518 0.947 11.961 242 HA2 GLY 33 HA2 GLY 33 5.656 2.551 9.985 243 HA3 GLY 33 HA3 GLY 33 4.548 1.424 9.216 244 H GLY 34 H GLY 34 3.710 3.939 9.310 245 HA2 GLY 34 HA2 GLY 34 2.069 4.286 11.710 246 HA3 GLY 34 HA3 GLY 34 2.327 5.483 10.449 247 H CYS 35 H CYS 35 1.504 4.587 8.199 248 HA CYS 35 HA CYS 35 -1.251 4.577 8.255 249 HB2 CYS 35 HB2 CYS 35 0.801 4.245 6.272 250 HB3 CYS 35 HB3 CYS 35 -0.502 3.102 5.960 251 H ALA 36 H ALA 36 0.959 1.893 8.565 252 HA ALA 36 HA ALA 36 -0.984 -0.161 8.166 253 HB1 ALA 36 HB1 ALA 36 0.787 -1.506 8.182 254 HB2 ALA 36 HB2 ALA 36 1.780 -0.059 8.367 255 HB3 ALA 36 HB3 ALA 36 1.271 -0.967 9.790 256 H LEU 37 H LEU 37 0.525 1.279 11.046 257 HA LEU 37 HA LEU 37 -0.890 -0.303 12.917 258 HB2 LEU 37 HB2 LEU 37 1.227 1.000 13.320 259 HB3 LEU 37 HB3 LEU 37 0.231 2.452 13.380 260 HG LEU 37 HG LEU 37 -1.018 1.342 15.292 261 HD11 LEU 37 HD11 LEU 37 1.148 -0.634 14.814 262 HD12 LEU 37 HD12 LEU 37 -0.520 -0.883 15.328 263 HD13 LEU 37 HD13 LEU 37 0.678 -0.294 16.480 264 HD21 LEU 37 HD21 LEU 37 1.428 2.776 15.210 265 HD22 LEU 37 HD22 LEU 37 1.528 1.601 16.522 266 HD23 LEU 37 HD23 LEU 37 0.201 2.763 16.478 267 H SER 38 H SER 38 -1.397 3.019 11.749 268 HA SER 38 HA SER 38 -3.599 3.707 13.260 269 HB2 SER 38 HB2 SER 38 -2.479 4.555 10.668 270 HB3 SER 38 HB3 SER 38 -4.196 4.896 10.877 271 HG SER 38 HG SER 38 -3.755 6.205 12.543 272 H LYS 39 H LYS 39 -3.578 2.085 10.094 273 HA LYS 39 HA LYS 39 -6.298 1.826 9.699 274 HB2 LYS 39 HB2 LYS 39 -3.894 0.599 8.662 275 HB3 LYS 39 HB3 LYS 39 -5.188 -0.585 8.790 276 HG2 LYS 39 HG2 LYS 39 -6.596 1.291 7.619 277 HG3 LYS 39 HG3 LYS 39 -5.007 1.855 7.098 278 HD2 LYS 39 HD2 LYS 39 -5.567 -1.036 6.788 279 HD3 LYS 39 HD3 LYS 39 -6.445 0.064 5.721 280 HE2 LYS 39 HE2 LYS 39 -4.500 0.847 4.724 281 HE3 LYS 39 HE3 LYS 39 -3.486 0.339 6.073 282 HZ1 LYS 39 HZ1 LYS 39 -4.399 -2.010 5.277 283 HZ2 LYS 39 HZ2 LYS 39 -2.992 -1.316 4.643 284 HZ3 LYS 39 HZ3 LYS 39 -4.450 -1.195 3.796 285 H TYR 40 H TYR 40 -4.127 -0.299 11.526 286 HA TYR 40 HA TYR 40 -6.014 -2.279 12.158 287 HB2 TYR 40 HB2 TYR 40 -3.662 -1.442 13.861 288 HB3 TYR 40 HB3 TYR 40 -4.459 -3.012 13.848 289 HD1 TYR 40 HD2 TYR 40 -4.704 -3.062 10.737 290 HD2 TYR 40 HD1 TYR 40 -1.470 -2.343 13.407 291 HE1 TYR 40 HE2 TYR 40 -3.123 -3.851 9.026 292 HE2 TYR 40 HE1 TYR 40 0.119 -3.130 11.703 293 HH TYR 40 HH TYR 40 -0.777 -4.855 9.010 294 H LYS 41 H LYS 41 -5.416 0.868 13.498 295 HA LYS 41 HA LYS 41 -6.940 0.397 15.904 296 HB2 LYS 41 HB2 LYS 41 -5.020 2.231 15.179 297 HB3 LYS 41 HB3 LYS 41 -6.495 3.189 15.128 298 HG2 LYS 41 HG2 LYS 41 -7.000 2.447 17.437 299 HG3 LYS 41 HG3 LYS 41 -5.438 1.625 17.473 300 HD2 LYS 41 HD2 LYS 41 -4.253 3.661 17.312 301 HD3 LYS 41 HD3 LYS 41 -5.703 4.557 16.855 302 HE2 LYS 41 HE2 LYS 41 -5.826 3.162 19.447 303 HE3 LYS 41 HE3 LYS 41 -4.679 4.498 19.355 304 HZ1 LYS 41 HZ1 LYS 41 -6.380 6.002 18.833 305 HZ2 LYS 41 HZ2 LYS 41 -7.017 5.056 20.082 306 HZ3 LYS 41 HZ3 LYS 41 -7.493 4.778 18.484 307 H CYS 42 H CYS 42 -7.542 1.492 12.681 308 HA CYS 42 HA CYS 42 -10.052 2.771 13.305 309 HB2 CYS 42 HB2 CYS 42 -9.366 3.772 11.399 310 HB3 CYS 42 HB3 CYS 42 -8.363 2.404 10.929 311 H GLN 43 H GLN 43 -9.035 -0.234 11.704 312 HA GLN 43 HA GLN 43 -11.568 -1.221 11.085 313 HB2 GLN 43 HB2 GLN 43 -10.387 -3.503 11.271 314 HB3 GLN 43 HB3 GLN 43 -9.784 -2.352 10.086 315 HG2 GLN 43 HG2 GLN 43 -7.780 -2.324 11.021 316 HG3 GLN 43 HG3 GLN 43 -8.459 -1.997 12.614 317 HE21 GLN 43 HE22 GLN 43 -8.623 -4.757 10.388 318 HE22 GLN 43 HE21 GLN 43 -8.083 -5.932 11.534 319 H ASN 44 H ASN 44 -9.634 -1.577 14.029 320 HA ASN 44 HA ASN 44 -12.064 -2.212 15.506 321 HB2 ASN 44 HB2 ASN 44 -9.625 -4.000 15.472 322 HB3 ASN 44 HB3 ASN 44 -10.915 -4.118 16.664 323 HD21 ASN 44 HD22 ASN 44 -9.787 -5.588 14.079 324 HD22 ASN 44 HD21 ASN 44 -11.245 -6.166 13.355 325 HA PRO 45 HA PRO 45 -9.299 0.760 17.701 326 HB2 PRO 45 HB3 PRO 45 -11.325 2.369 18.523 327 HB3 PRO 45 HB2 PRO 45 -10.553 2.528 16.941 328 HG2 PRO 45 HG2 PRO 45 -13.128 1.184 17.665 329 HG3 PRO 45 HG3 PRO 45 -12.765 2.236 16.285 330 HD2 PRO 45 HD2 PRO 45 -12.857 -0.462 16.075 331 HD3 PRO 45 HD3 PRO 45 -11.769 0.536 15.089 332 H ASN 46 H ASN 46 -11.744 -1.422 18.524 333 HA ASN 46 HA ASN 46 -11.409 -0.907 21.400 334 HB2 ASN 46 HB2 ASN 46 -13.435 -2.312 21.692 335 HB3 ASN 46 HB3 ASN 46 -13.733 -0.893 20.692 336 HD21 ASN 46 HD22 ASN 46 -13.971 -4.236 20.921 337 HD22 ASN 46 HD21 ASN 46 -14.424 -4.570 19.288 338 H HIS 47 H HIS 47 -9.607 -2.389 19.463 339 HA HIS 47 HA HIS 47 -9.705 -5.098 20.544 340 HB2 HIS 47 HB2 HIS 47 -8.207 -5.719 18.835 341 HB3 HIS 47 HB3 HIS 47 -9.284 -4.552 18.074 342 HD1 HIS 47 HD1 HIS 47 -6.277 -5.254 17.218 343 HD2 HIS 47 HD2 HIS 47 -7.556 -1.895 19.302 344 HE1 HIS 47 HE1 HIS 47 -4.522 -3.500 16.809 345 H GLU 48 H GLU 48 -7.579 -6.083 21.208 346 HA GLU 48 HA GLU 48 -6.160 -4.187 22.951 347 HB2 GLU 48 HB2 GLU 48 -7.440 -6.290 23.830 348 HB3 GLU 48 HB3 GLU 48 -6.019 -7.163 23.275 349 HG2 GLU 48 HG2 GLU 48 -5.428 -4.808 24.909 350 HG3 GLU 48 HG3 GLU 48 -6.321 -6.078 25.744 351 H LYS 49 H LYS 49 -4.458 -3.464 21.789 352 HA LYS 49 HA LYS 49 -2.991 -4.945 19.911 353 HB2 LYS 49 HB2 LYS 49 -3.040 -2.324 20.744 354 HB3 LYS 49 HB3 LYS 49 -1.467 -2.868 21.311 355 HG2 LYS 49 HG2 LYS 49 -0.697 -3.293 19.169 356 HG3 LYS 49 HG3 LYS 49 -2.326 -3.402 18.498 357 HD2 LYS 49 HD2 LYS 49 -1.286 -1.338 17.785 358 HD3 LYS 49 HD3 LYS 49 -2.616 -0.981 18.890 359 HE2 LYS 49 HE2 LYS 49 -0.357 -1.278 20.509 360 HE3 LYS 49 HE3 LYS 49 0.187 -0.342 19.118 361 HZ1 LYS 49 HZ1 LYS 49 -1.977 0.991 19.583 362 HZ2 LYS 49 HZ2 LYS 49 -0.588 1.291 20.501 363 HZ3 LYS 49 HZ3 LYS 49 -1.833 0.340 21.138 364 H LEU 50 H LEU 50 -2.034 -6.815 20.429 365 HA LEU 50 HA LEU 50 -1.081 -7.585 22.922 366 HB2 LEU 50 HB2 LEU 50 -0.015 -8.496 20.255 367 HB3 LEU 50 HB3 LEU 50 0.082 -9.366 21.785 368 HG LEU 50 HG LEU 50 -2.657 -8.754 20.985 369 HD11 LEU 50 HD11 LEU 50 -2.834 -9.869 19.015 370 HD12 LEU 50 HD12 LEU 50 -1.437 -10.895 19.338 371 HD13 LEU 50 HD13 LEU 50 -1.204 -9.227 18.814 372 HD21 LEU 50 HD21 LEU 50 -1.948 -10.287 22.807 373 HD22 LEU 50 HD22 LEU 50 -1.272 -11.364 21.585 374 HD23 LEU 50 HD23 LEU 50 -3.006 -11.045 21.616 375 H GLY 51 H GLY 51 0.647 -7.046 24.085 376 HA2 GLY 51 HA2 GLY 51 2.747 -5.453 22.780 377 HA3 GLY 51 HA3 GLY 51 2.384 -5.449 24.499 378 H TYR 52 H TYR 52 3.661 -6.608 25.785 379 HA TYR 52 HA TYR 52 5.802 -8.143 24.646 380 HB2 TYR 52 HB2 TYR 52 5.901 -6.662 26.740 381 HB3 TYR 52 HB3 TYR 52 5.118 -7.997 27.576 382 HD1 TYR 52 HD2 TYR 52 8.120 -7.148 25.549 383 HD2 TYR 52 HD1 TYR 52 6.390 -9.769 28.420 384 HE1 TYR 52 HE2 TYR 52 10.312 -8.208 25.894 385 HE2 TYR 52 HE1 TYR 52 8.578 -10.836 28.774 386 HH TYR 52 HH TYR 52 11.485 -9.505 27.573 387 H THR 53 H THR 53 3.884 -9.523 23.678 388 HA THR 53 HA THR 53 3.309 -11.751 25.515 389 HB THR 53 HB THR 53 1.924 -11.620 22.895 390 HG1 THR 53 HG1 THR 53 0.369 -10.138 24.050 391 HG21 THR 53 HG21 THR 53 1.616 -13.310 24.829 392 HG22 THR 53 HG22 THR 53 0.178 -12.651 24.049 393 HG23 THR 53 HG23 THR 53 0.706 -12.016 25.608 394 H HIS 54 H HIS 54 3.632 -13.891 24.830 395 HA HIS 54 HA HIS 54 5.963 -14.388 23.378 396 HB2 HIS 54 HB2 HIS 54 4.007 -15.925 24.798 397 HB3 HIS 54 HB3 HIS 54 4.352 -16.721 23.265 398 HD1 HIS 54 HD1 HIS 54 6.475 -18.035 23.127 399 HD2 HIS 54 HD2 HIS 54 6.375 -15.528 26.439 400 HE1 HIS 54 HE1 HIS 54 8.504 -18.635 24.486 401 H GLU 55 H GLU 55 2.725 -13.900 22.313 402 HA GLU 55 HA GLU 55 3.046 -15.202 19.768 403 HB2 GLU 55 HB2 GLU 55 0.935 -13.232 20.666 404 HB3 GLU 55 HB3 GLU 55 0.860 -14.250 19.235 405 HG2 GLU 55 HG2 GLU 55 1.220 -16.142 21.087 406 HG3 GLU 55 HG3 GLU 55 0.410 -14.924 22.071 407 H CYS 56 H CYS 56 3.891 -12.177 21.088 408 HA CYS 56 HA CYS 56 3.901 -10.775 18.548 409 HB2 CYS 56 HB2 CYS 56 4.521 -10.042 21.384 410 HB3 CYS 56 HB3 CYS 56 5.131 -9.028 20.080 411 H GLU 57 H GLU 57 5.756 -13.130 19.656 412 HA GLU 57 HA GLU 57 8.392 -12.280 19.633 413 HB2 GLU 57 HB2 GLU 57 7.595 -14.579 20.202 414 HB3 GLU 57 HB3 GLU 57 7.366 -14.881 18.485 415 HG2 GLU 57 HG2 GLU 57 10.006 -13.904 18.884 416 HG3 GLU 57 HG3 GLU 57 9.704 -15.205 20.034 417 H GLU 58 H GLU 58 6.205 -12.856 16.958 418 HA GLU 58 HA GLU 58 8.110 -12.875 14.881 419 HB2 GLU 58 HB2 GLU 58 5.180 -12.161 14.925 420 HB3 GLU 58 HB3 GLU 58 6.130 -12.190 13.447 421 HG2 GLU 58 HG2 GLU 58 5.897 -14.380 13.267 422 HG3 GLU 58 HG3 GLU 58 6.508 -14.630 14.901 423 H ALA 59 H ALA 59 6.623 -10.303 16.690 424 HA ALA 59 HA ALA 59 7.143 -8.174 14.909 425 HB1 ALA 59 HB1 ALA 59 6.027 -7.014 16.437 426 HB2 ALA 59 HB2 ALA 59 5.951 -8.475 17.423 427 HB3 ALA 59 HB3 ALA 59 7.268 -7.325 17.651 428 H ILE 60 H ILE 60 9.068 -9.725 17.412 429 HA ILE 60 HA ILE 60 11.117 -7.872 17.688 430 HB ILE 60 HB ILE 60 11.373 -10.882 17.747 431 HG12 ILE 60 HG12 ILE 60 10.947 -8.973 20.052 432 HG13 ILE 60 HG13 ILE 60 9.644 -9.870 19.279 433 HG21 ILE 60 HG21 ILE 60 13.534 -9.792 17.559 434 HG22 ILE 60 HG22 ILE 60 13.137 -8.731 18.910 435 HG23 ILE 60 HG23 ILE 60 13.326 -10.463 19.177 436 HD11 ILE 60 HD11 ILE 60 10.235 -11.067 21.217 437 HD12 ILE 60 HD12 ILE 60 10.907 -11.967 19.857 438 HD13 ILE 60 HD13 ILE 60 11.957 -10.956 20.851 439 H LYS 61 H LYS 61 10.734 -10.457 15.297 440 HA LYS 61 HA LYS 61 13.219 -9.777 13.983 441 HB2 LYS 61 HB2 LYS 61 12.571 -11.546 12.377 442 HB3 LYS 61 HB3 LYS 61 12.558 -12.106 14.044 443 HG2 LYS 61 HG2 LYS 61 10.134 -11.886 14.112 444 HG3 LYS 61 HG3 LYS 61 10.135 -11.293 12.449 445 HD2 LYS 61 HD2 LYS 61 11.512 -13.599 12.150 446 HD3 LYS 61 HD3 LYS 61 10.449 -14.034 13.490 447 HE2 LYS 61 HE2 LYS 61 9.320 -14.625 11.484 448 HE3 LYS 61 HE3 LYS 61 8.531 -13.180 12.114 449 HZ1 LYS 61 HZ1 LYS 61 9.152 -13.338 9.614 450 HZ2 LYS 61 HZ2 LYS 61 10.695 -12.895 10.147 451 HZ3 LYS 61 HZ3 LYS 61 9.375 -11.880 10.443 452 H ASN 62 H ASN 62 9.766 -9.334 13.448 453 HA ASN 62 HA ASN 62 9.879 -8.351 10.825 454 HB2 ASN 62 HB2 ASN 62 7.925 -8.174 13.070 455 HB3 ASN 62 HB3 ASN 62 7.723 -7.066 11.716 456 HD21 ASN 62 HD22 ASN 62 7.156 -7.861 9.711 457 HD22 ASN 62 HD21 ASN 62 6.583 -9.474 9.479 458 H ALA 63 H ALA 63 10.714 -6.903 13.844 459 HA ALA 63 HA ALA 63 10.406 -4.195 13.318 460 HB1 ALA 63 HB1 ALA 63 11.016 -4.544 15.485 461 HB2 ALA 63 HB2 ALA 63 12.197 -5.787 15.071 462 HB3 ALA 63 HB3 ALA 63 12.584 -4.084 14.820 463 HA PRO 64 HA PRO 64 13.362 -3.058 10.281 464 HB2 PRO 64 HB3 PRO 64 14.280 -0.683 11.221 465 HB3 PRO 64 HB2 PRO 64 12.659 -0.887 10.547 466 HG2 PRO 64 HG2 PRO 64 13.526 -0.819 13.412 467 HG3 PRO 64 HG3 PRO 64 12.122 -0.049 12.649 468 HD2 PRO 64 HD2 PRO 64 11.932 -2.354 14.057 469 HD3 PRO 64 HD3 PRO 64 10.885 -1.994 12.670 470 H ARG 65 H ARG 65 15.069 -4.452 10.269 471 HA ARG 65 HA ARG 65 17.162 -4.135 12.294 472 HB2 ARG 65 HB2 ARG 65 16.200 -6.347 10.623 473 HB3 ARG 65 HB3 ARG 65 17.953 -6.230 10.707 474 HG2 ARG 65 HG2 ARG 65 18.001 -7.025 12.782 475 HG3 ARG 65 HG3 ARG 65 16.710 -5.945 13.311 476 HD2 ARG 65 HD2 ARG 65 15.210 -7.603 11.924 477 HD3 ARG 65 HD3 ARG 65 16.552 -8.710 12.213 478 HE ARG 65 HE ARG 65 14.596 -7.864 14.103 479 HH11 ARG 65 HH11 ARG 65 17.929 -8.812 13.765 480 HH12 ARG 65 HH12 ARG 65 18.068 -9.380 15.396 481 HH21 ARG 65 HH22 ARG 65 14.767 -8.608 16.252 482 HH22 ARG 65 HH21 ARG 65 16.269 -9.264 16.809 483 HA PRO 66 HA PRO 66 20.041 -2.189 9.616 484 HB2 PRO 66 HB3 PRO 66 22.376 -3.406 10.277 485 HB3 PRO 66 HB2 PRO 66 21.554 -2.260 11.343 486 HG2 PRO 66 HG2 PRO 66 21.539 -5.253 11.407 487 HG3 PRO 66 HG3 PRO 66 21.681 -4.106 12.752 488 HD2 PRO 66 HD2 PRO 66 19.355 -5.348 12.136 489 HD3 PRO 66 HD3 PRO 66 19.411 -3.710 12.819 Start of MODEL 16 1 H1 VAL 1 H1 VAL 1 -2.346 -5.910 2.989 2 HA VAL 1 HA VAL 1 -1.772 -5.101 5.761 3 HB VAL 1 HB VAL 1 -2.950 -2.907 5.157 4 HG11 VAL 1 HG11 VAL 1 -0.179 -3.679 4.336 5 HG12 VAL 1 HG12 VAL 1 -0.761 -2.034 4.074 6 HG13 VAL 1 HG13 VAL 1 -0.709 -2.703 5.705 7 HG21 VAL 1 HG21 VAL 1 -3.353 -2.332 3.009 8 HG22 VAL 1 HG22 VAL 1 -1.938 -3.194 2.402 9 HG23 VAL 1 HG23 VAL 1 -3.417 -4.079 2.776 10 HA PRO 2 HA PRO 2 -5.878 -6.315 6.731 11 HB2 PRO 2 HB3 PRO 2 -6.531 -4.520 8.660 12 HB3 PRO 2 HB2 PRO 2 -5.380 -5.836 8.922 13 HG2 PRO 2 HG2 PRO 2 -4.854 -2.953 8.309 14 HG3 PRO 2 HG3 PRO 2 -4.046 -4.014 9.478 15 HD2 PRO 2 HD2 PRO 2 -2.980 -3.435 7.058 16 HD3 PRO 2 HD3 PRO 2 -2.725 -4.995 7.865 17 H VAL 3 H VAL 3 -7.665 -6.034 5.567 18 HA VAL 3 HA VAL 3 -9.167 -3.658 5.517 19 HB VAL 3 HB VAL 3 -7.346 -2.893 4.023 20 HG11 VAL 3 HG11 VAL 3 -7.564 -5.475 2.959 21 HG12 VAL 3 HG12 VAL 3 -8.099 -4.379 1.683 22 HG13 VAL 3 HG13 VAL 3 -6.507 -4.174 2.413 23 HG21 VAL 3 HG21 VAL 3 -9.605 -3.124 2.150 24 HG22 VAL 3 HG22 VAL 3 -10.007 -2.509 3.753 25 HG23 VAL 3 HG23 VAL 3 -8.789 -1.691 2.775 26 H GLY 4 H GLY 4 -11.171 -3.903 4.460 27 HA2 GLY 4 HA2 GLY 4 -12.475 -5.224 2.809 28 HA3 GLY 4 HA3 GLY 4 -11.681 -6.643 3.475 29 H SER 5 H SER 5 -12.378 -7.504 5.420 30 HA SER 5 HA SER 5 -15.052 -6.638 6.223 31 HB2 SER 5 HB2 SER 5 -13.662 -9.103 7.244 32 HB3 SER 5 HB3 SER 5 -15.391 -8.798 7.078 33 HG SER 5 HG SER 5 -13.585 -9.031 4.901 34 H ASP 6 H ASP 6 -12.488 -5.289 7.005 35 HA ASP 6 HA ASP 6 -12.941 -5.358 9.911 36 HB2 ASP 6 HB2 ASP 6 -10.223 -4.606 9.086 37 HB3 ASP 6 HB3 ASP 6 -10.754 -5.654 10.398 38 H CYS 7 H CYS 7 -11.080 -3.433 7.552 39 HA CYS 7 HA CYS 7 -12.674 -1.089 8.088 40 HB2 CYS 7 HB2 CYS 7 -10.947 -1.256 9.968 41 HB3 CYS 7 HB3 CYS 7 -9.734 -0.922 8.737 42 H GLU 8 H GLU 8 -12.088 0.727 6.713 43 HA GLU 8 HA GLU 8 -10.567 -0.124 4.336 44 HB2 GLU 8 HB2 GLU 8 -12.091 1.022 2.930 45 HB3 GLU 8 HB3 GLU 8 -13.075 0.095 4.053 46 HG2 GLU 8 HG2 GLU 8 -13.389 2.129 5.410 47 HG3 GLU 8 HG3 GLU 8 -12.479 3.040 4.206 48 HA PRO 9 HA PRO 9 -7.978 3.387 4.817 49 HB2 PRO 9 HB3 PRO 9 -7.367 3.929 2.228 50 HB3 PRO 9 HB2 PRO 9 -6.716 2.535 3.097 51 HG2 PRO 9 HG2 PRO 9 -9.007 2.668 1.175 52 HG3 PRO 9 HG3 PRO 9 -7.716 1.459 1.294 53 HD2 PRO 9 HD2 PRO 9 -10.198 1.043 2.293 54 HD3 PRO 9 HD3 PRO 9 -8.742 0.352 3.036 55 H LYS 10 H LYS 10 -7.735 5.673 4.253 56 HA LYS 10 HA LYS 10 -9.543 7.124 2.695 57 HB2 LYS 10 HB2 LYS 10 -10.835 8.191 4.627 58 HB3 LYS 10 HB3 LYS 10 -11.326 6.578 4.128 59 HG2 LYS 10 HG2 LYS 10 -10.010 5.636 5.990 60 HG3 LYS 10 HG3 LYS 10 -9.625 7.278 6.512 61 HD2 LYS 10 HD2 LYS 10 -12.432 6.214 6.226 62 HD3 LYS 10 HD3 LYS 10 -11.527 6.213 7.741 63 HE2 LYS 10 HE2 LYS 10 -11.292 8.672 7.547 64 HE3 LYS 10 HE3 LYS 10 -12.301 8.625 6.102 65 HZ1 LYS 10 HZ1 LYS 10 -13.719 9.175 7.873 66 HZ2 LYS 10 HZ2 LYS 10 -13.079 7.979 8.885 67 HZ3 LYS 10 HZ3 LYS 10 -14.029 7.543 7.555 68 H LEU 11 H LEU 11 -7.508 7.038 5.553 69 HA LEU 11 HA LEU 11 -5.899 9.180 4.671 70 HB2 LEU 11 HB2 LEU 11 -8.236 9.896 6.175 71 HB3 LEU 11 HB3 LEU 11 -6.786 10.297 7.093 72 HG LEU 11 HG LEU 11 -6.583 11.182 4.342 73 HD11 LEU 11 HD11 LEU 11 -8.752 12.506 5.943 74 HD12 LEU 11 HD12 LEU 11 -9.088 11.276 4.725 75 HD13 LEU 11 HD13 LEU 11 -8.301 12.785 4.261 76 HD21 LEU 11 HD21 LEU 11 -6.719 13.105 6.567 77 HD22 LEU 11 HD22 LEU 11 -5.502 12.907 5.306 78 HD23 LEU 11 HD23 LEU 11 -5.491 11.848 6.717 79 H CYS 12 H CYS 12 -4.015 8.358 5.289 80 HA CYS 12 HA CYS 12 -3.423 8.006 8.073 81 HB2 CYS 12 HB2 CYS 12 -2.595 5.614 7.701 82 HB3 CYS 12 HB3 CYS 12 -4.335 5.842 7.849 83 H THR 13 H THR 13 -1.087 6.862 8.158 84 HA THR 13 HA THR 13 0.542 8.274 6.148 85 HB THR 13 HB THR 13 2.025 7.559 8.524 86 HG1 THR 13 HG1 THR 13 0.785 9.304 9.749 87 HG21 THR 13 HG21 THR 13 1.431 10.006 6.919 88 HG22 THR 13 HG22 THR 13 2.979 9.231 7.255 89 HG23 THR 13 HG23 THR 13 2.177 10.180 8.507 90 H MET 14 H MET 14 2.255 7.230 5.190 91 HA MET 14 HA MET 14 2.090 4.440 4.889 92 HB2 MET 14 HB2 MET 14 4.046 4.617 3.515 93 HB3 MET 14 HB3 MET 14 3.052 6.037 3.219 94 HG2 MET 14 HG2 MET 14 4.486 7.395 4.578 95 HG3 MET 14 HG3 MET 14 5.418 5.984 5.074 96 HE1 MET 14 HE1 MET 14 5.219 8.916 3.046 97 HE2 MET 14 HE2 MET 14 6.098 8.639 1.541 98 HE3 MET 14 HE3 MET 14 4.432 8.083 1.704 99 H ASP 15 H ASP 15 3.969 6.463 7.028 100 HA ASP 15 HA ASP 15 5.467 6.000 8.686 101 HB2 ASP 15 HB2 ASP 15 3.188 4.648 9.210 102 HB3 ASP 15 HB3 ASP 15 4.329 3.307 9.159 103 H LEU 16 H LEU 16 6.646 3.721 9.638 104 HA LEU 16 HA LEU 16 7.671 2.048 7.573 105 HB2 LEU 16 HB2 LEU 16 8.799 4.368 7.298 106 HB3 LEU 16 HB3 LEU 16 9.724 3.897 8.723 107 HG LEU 16 HG LEU 16 10.367 1.809 7.378 108 HD11 LEU 16 HD11 LEU 16 10.138 3.267 4.881 109 HD12 LEU 16 HD12 LEU 16 8.566 2.861 5.569 110 HD13 LEU 16 HD13 LEU 16 9.745 1.588 5.254 111 HD21 LEU 16 HD21 LEU 16 12.068 3.221 6.047 112 HD22 LEU 16 HD22 LEU 16 12.079 3.320 7.808 113 HD23 LEU 16 HD23 LEU 16 11.324 4.600 6.858 114 H VAL 17 H VAL 17 6.511 1.726 10.158 115 HA VAL 17 HA VAL 17 8.726 0.336 11.510 116 HB VAL 17 HB VAL 17 6.452 1.693 12.959 117 HG11 VAL 17 HG11 VAL 17 8.973 0.976 14.315 118 HG12 VAL 17 HG12 VAL 17 7.306 0.881 14.888 119 HG13 VAL 17 HG13 VAL 17 7.946 -0.369 13.820 120 HG21 VAL 17 HG21 VAL 17 8.495 3.151 13.746 121 HG22 VAL 17 HG22 VAL 17 9.156 2.670 12.183 122 HG23 VAL 17 HG23 VAL 17 7.623 3.538 12.262 123 HA PRO 18 HA PRO 18 5.973 -3.106 10.914 124 HB2 PRO 18 HB3 PRO 18 7.516 -4.935 12.196 125 HB3 PRO 18 HB2 PRO 18 7.869 -4.356 10.564 126 HG2 PRO 18 HG2 PRO 18 9.066 -3.511 13.174 127 HG3 PRO 18 HG3 PRO 18 9.869 -3.824 11.624 128 HD2 PRO 18 HD2 PRO 18 9.308 -1.323 12.495 129 HD3 PRO 18 HD3 PRO 18 9.309 -1.757 10.773 130 H HIS 19 H HIS 19 4.162 -3.138 12.098 131 HA HIS 19 HA HIS 19 4.410 -3.593 14.997 132 HB2 HIS 19 HB2 HIS 19 2.745 -1.630 13.499 133 HB3 HIS 19 HB3 HIS 19 2.035 -2.381 14.925 134 HD1 HIS 19 HD1 HIS 19 5.663 -1.850 15.150 135 HD2 HIS 19 HD2 HIS 19 2.204 0.254 16.081 136 HE1 HIS 19 HE1 HIS 19 6.396 0.003 16.684 137 H CYS 20 H CYS 20 2.718 -4.828 15.974 138 HA CYS 20 HA CYS 20 1.520 -6.736 14.098 139 HB2 CYS 20 HB2 CYS 20 2.895 -7.755 15.803 140 HB3 CYS 20 HB3 CYS 20 2.028 -6.899 17.074 141 H PHE 21 H PHE 21 -0.654 -7.181 14.061 142 HA PHE 21 HA PHE 21 -2.417 -5.741 15.890 143 HB2 PHE 21 HB2 PHE 21 -3.838 -5.088 13.856 144 HB3 PHE 21 HB3 PHE 21 -2.372 -4.157 14.147 145 HD1 PHE 21 HD2 PHE 21 -0.399 -4.473 12.721 146 HD2 PHE 21 HD1 PHE 21 -4.082 -6.451 11.919 147 HE1 PHE 21 HE2 PHE 21 0.368 -4.967 10.437 148 HE2 PHE 21 HE1 PHE 21 -3.320 -6.949 9.633 149 HZ PHE 21 HZ PHE 21 -1.093 -6.206 8.889 150 H LEU 22 H LEU 22 -4.677 -6.482 15.737 151 HA LEU 22 HA LEU 22 -4.776 -9.319 14.965 152 HB2 LEU 22 HB2 LEU 22 -5.500 -7.946 17.346 153 HB3 LEU 22 HB3 LEU 22 -6.966 -8.609 16.627 154 HG LEU 22 HG LEU 22 -5.139 -10.704 16.539 155 HD11 LEU 22 HD11 LEU 22 -3.562 -9.977 18.019 156 HD12 LEU 22 HD12 LEU 22 -4.702 -10.722 19.139 157 HD13 LEU 22 HD13 LEU 22 -4.701 -8.972 18.915 158 HD21 LEU 22 HD21 LEU 22 -7.592 -10.719 17.025 159 HD22 LEU 22 HD22 LEU 22 -7.211 -10.203 18.668 160 HD23 LEU 22 HD23 LEU 22 -6.629 -11.759 18.076 161 H ASN 23 H ASN 23 -6.003 -9.846 13.289 162 HA ASN 23 HA ASN 23 -8.173 -8.013 12.507 163 HB2 ASN 23 HB2 ASN 23 -6.060 -9.345 10.962 164 HB3 ASN 23 HB3 ASN 23 -7.668 -9.511 10.263 165 HD21 ASN 23 HD22 ASN 23 -8.254 -7.969 8.931 166 HD22 ASN 23 HD21 ASN 23 -7.646 -6.352 8.910 167 HA PRO 24 HA PRO 24 -10.991 -11.314 13.291 168 HB2 PRO 24 HB3 PRO 24 -13.096 -10.381 11.854 169 HB3 PRO 24 HB2 PRO 24 -12.612 -9.691 13.407 170 HG2 PRO 24 HG2 PRO 24 -12.024 -8.720 10.637 171 HG3 PRO 24 HG3 PRO 24 -12.507 -7.792 12.070 172 HD2 PRO 24 HD2 PRO 24 -9.938 -7.935 11.224 173 HD3 PRO 24 HD3 PRO 24 -10.372 -7.784 12.939 174 H GLU 25 H GLU 25 -9.990 -10.383 10.101 175 HA GLU 25 HA GLU 25 -11.063 -12.888 8.993 176 HB2 GLU 25 HB2 GLU 25 -10.849 -11.893 6.806 177 HB3 GLU 25 HB3 GLU 25 -11.724 -10.784 7.852 178 HG2 GLU 25 HG2 GLU 25 -9.501 -9.625 8.236 179 HG3 GLU 25 HG3 GLU 25 -8.890 -10.587 6.890 180 H LYS 26 H LYS 26 -8.214 -11.358 10.011 181 HA LYS 26 HA LYS 26 -6.579 -13.351 8.581 182 HB2 LYS 26 HB2 LYS 26 -5.525 -10.744 9.658 183 HB3 LYS 26 HB3 LYS 26 -4.769 -11.827 8.497 184 HG2 LYS 26 HG2 LYS 26 -7.263 -10.217 7.991 185 HG3 LYS 26 HG3 LYS 26 -5.637 -9.778 7.460 186 HD2 LYS 26 HD2 LYS 26 -5.654 -12.137 6.358 187 HD3 LYS 26 HD3 LYS 26 -7.407 -12.001 6.520 188 HE2 LYS 26 HE2 LYS 26 -7.556 -10.329 4.979 189 HE3 LYS 26 HE3 LYS 26 -5.958 -9.688 5.360 190 HZ1 LYS 26 HZ1 LYS 26 -4.984 -10.989 3.836 191 HZ2 LYS 26 HZ2 LYS 26 -6.530 -11.092 3.157 192 HZ3 LYS 26 HZ3 LYS 26 -5.966 -12.325 4.169 193 H GLY 27 H GLY 27 -6.143 -11.231 11.420 194 HA2 GLY 27 HA2 GLY 27 -5.867 -11.868 13.653 195 HA3 GLY 27 HA3 GLY 27 -5.872 -13.552 13.150 196 H ILE 28 H ILE 28 -4.038 -11.875 14.880 197 HA ILE 28 HA ILE 28 -1.785 -11.414 15.122 198 HB ILE 28 HB ILE 28 -1.855 -13.656 15.906 199 HG12 ILE 28 HG12 ILE 28 0.386 -13.797 13.911 200 HG13 ILE 28 HG13 ILE 28 0.404 -12.580 15.182 201 HG21 ILE 28 HG21 ILE 28 -1.750 -14.516 13.018 202 HG22 ILE 28 HG22 ILE 28 -1.666 -15.599 14.406 203 HG23 ILE 28 HG23 ILE 28 -3.129 -14.661 14.108 204 HD11 ILE 28 HD11 ILE 28 1.619 -14.274 16.131 205 HD12 ILE 28 HD12 ILE 28 0.004 -14.613 16.752 206 HD13 ILE 28 HD13 ILE 28 0.638 -15.539 15.392 207 H VAL 29 H VAL 29 -1.541 -9.865 13.425 208 HA VAL 29 HA VAL 29 0.155 -10.862 11.247 209 HB VAL 29 HB VAL 29 -2.088 -8.872 10.881 210 HG11 VAL 29 HG11 VAL 29 -0.136 -8.287 9.549 211 HG12 VAL 29 HG12 VAL 29 -0.071 -9.927 8.901 212 HG13 VAL 29 HG13 VAL 29 -1.438 -8.880 8.519 213 HG21 VAL 29 HG21 VAL 29 -2.790 -10.689 9.180 214 HG22 VAL 29 HG22 VAL 29 -1.751 -11.751 10.131 215 HG23 VAL 29 HG23 VAL 29 -3.127 -10.952 10.891 216 H VAL 30 H VAL 30 1.992 -9.756 11.065 217 HA VAL 30 HA VAL 30 2.115 -7.045 12.218 218 HB VAL 30 HB VAL 30 3.322 -8.581 13.664 219 HG11 VAL 30 HG11 VAL 30 5.464 -9.230 11.797 220 HG12 VAL 30 HG12 VAL 30 4.615 -10.260 12.951 221 HG13 VAL 30 HG13 VAL 30 3.917 -9.954 11.361 222 HG21 VAL 30 HG21 VAL 30 5.739 -7.476 12.693 223 HG22 VAL 30 HG22 VAL 30 4.453 -6.315 12.363 224 HG23 VAL 30 HG23 VAL 30 4.720 -6.890 14.008 225 H VAL 31 H VAL 31 2.692 -5.512 10.832 226 HA VAL 31 HA VAL 31 4.583 -6.076 8.699 227 HB VAL 31 HB VAL 31 3.181 -5.191 6.924 228 HG11 VAL 31 HG11 VAL 31 3.163 -7.613 7.367 229 HG12 VAL 31 HG12 VAL 31 1.754 -7.397 8.408 230 HG13 VAL 31 HG13 VAL 31 1.639 -7.046 6.683 231 HG21 VAL 31 HG21 VAL 31 1.372 -3.967 7.330 232 HG22 VAL 31 HG22 VAL 31 0.604 -5.323 8.154 233 HG23 VAL 31 HG23 VAL 31 1.625 -4.205 9.059 234 H HIS 32 H HIS 32 5.412 -4.152 7.682 235 HA HIS 32 HA HIS 32 5.527 -1.930 9.530 236 HB2 HIS 32 HB2 HIS 32 7.247 -1.046 7.969 237 HB3 HIS 32 HB3 HIS 32 7.602 -2.678 8.528 238 HD1 HIS 32 HD1 HIS 32 6.815 -0.715 5.476 239 HD2 HIS 32 HD2 HIS 32 7.389 -4.688 6.546 240 HE1 HIS 32 HE1 HIS 32 7.089 -1.962 3.309 241 H GLY 33 H GLY 33 4.138 -0.298 9.454 242 HA2 GLY 33 HA2 GLY 33 3.642 1.400 7.389 243 HA3 GLY 33 HA3 GLY 33 2.455 0.125 7.153 244 H GLY 34 H GLY 34 2.241 3.032 7.919 245 HA2 GLY 34 HA2 GLY 34 1.215 2.968 10.625 246 HA3 GLY 34 HA3 GLY 34 1.221 4.351 9.541 247 H CYS 35 H CYS 35 -0.105 3.012 7.362 248 HA CYS 35 HA CYS 35 -2.741 3.642 7.863 249 HB2 CYS 35 HB2 CYS 35 -1.404 1.887 5.838 250 HB3 CYS 35 HB3 CYS 35 -3.163 1.927 5.916 251 H ALA 36 H ALA 36 -1.177 0.466 8.090 252 HA ALA 36 HA ALA 36 -3.501 -0.977 8.790 253 HB1 ALA 36 HB1 ALA 36 -0.696 -1.711 9.591 254 HB2 ALA 36 HB2 ALA 36 -2.064 -2.785 9.295 255 HB3 ALA 36 HB3 ALA 36 -1.313 -1.922 7.952 256 H LEU 37 H LEU 37 -1.278 0.967 10.632 257 HA LEU 37 HA LEU 37 -2.098 -0.035 13.195 258 HB2 LEU 37 HB2 LEU 37 0.134 1.005 12.664 259 HB3 LEU 37 HB3 LEU 37 -0.692 2.560 12.601 260 HG LEU 37 HG LEU 37 -1.311 2.317 14.963 261 HD11 LEU 37 HD11 LEU 37 0.045 0.477 16.191 262 HD12 LEU 37 HD12 LEU 37 0.040 -0.325 14.621 263 HD13 LEU 37 HD13 LEU 37 -1.485 0.061 15.419 264 HD21 LEU 37 HD21 LEU 37 0.562 3.510 15.155 265 HD22 LEU 37 HD22 LEU 37 1.395 2.547 13.934 266 HD23 LEU 37 HD23 LEU 37 1.354 2.001 15.611 267 H SER 38 H SER 38 -2.879 2.757 11.183 268 HA SER 38 HA SER 38 -4.515 4.055 13.111 269 HB2 SER 38 HB2 SER 38 -3.720 4.484 10.349 270 HB3 SER 38 HB3 SER 38 -5.422 4.871 10.601 271 HG SER 38 HG SER 38 -4.695 6.664 11.408 272 H LYS 39 H LYS 39 -5.298 2.098 10.241 273 HA LYS 39 HA LYS 39 -8.085 2.098 10.628 274 HB2 LYS 39 HB2 LYS 39 -6.360 0.040 9.237 275 HB3 LYS 39 HB3 LYS 39 -8.105 0.186 9.074 276 HG2 LYS 39 HG2 LYS 39 -7.274 2.703 8.437 277 HG3 LYS 39 HG3 LYS 39 -5.960 1.710 7.802 278 HD2 LYS 39 HD2 LYS 39 -8.692 0.748 7.238 279 HD3 LYS 39 HD3 LYS 39 -8.225 2.253 6.442 280 HE2 LYS 39 HE2 LYS 39 -6.854 1.194 5.031 281 HE3 LYS 39 HE3 LYS 39 -6.142 0.228 6.322 282 HZ1 LYS 39 HZ1 LYS 39 -7.571 -0.849 4.407 283 HZ2 LYS 39 HZ2 LYS 39 -8.844 -0.462 5.452 284 HZ3 LYS 39 HZ3 LYS 39 -7.591 -1.466 5.982 285 H TYR 40 H TYR 40 -5.530 0.186 12.014 286 HA TYR 40 HA TYR 40 -6.889 -2.059 12.885 287 HB2 TYR 40 HB2 TYR 40 -4.541 -2.004 13.193 288 HB3 TYR 40 HB3 TYR 40 -4.616 -0.507 14.114 289 HD1 TYR 40 HD2 TYR 40 -5.996 -3.980 14.304 290 HD2 TYR 40 HD1 TYR 40 -4.313 -0.676 16.390 291 HE1 TYR 40 HE2 TYR 40 -6.057 -5.276 16.393 292 HE2 TYR 40 HE1 TYR 40 -4.368 -1.963 18.485 293 HH TYR 40 HH TYR 40 -4.844 -5.280 18.592 294 H LYS 41 H LYS 41 -6.741 1.156 14.335 295 HA LYS 41 HA LYS 41 -8.169 0.471 16.697 296 HB2 LYS 41 HB2 LYS 41 -7.106 2.901 15.453 297 HB3 LYS 41 HB3 LYS 41 -8.596 3.169 16.347 298 HG2 LYS 41 HG2 LYS 41 -7.375 3.293 18.188 299 HG3 LYS 41 HG3 LYS 41 -7.037 1.570 18.012 300 HD2 LYS 41 HD2 LYS 41 -5.188 2.428 16.355 301 HD3 LYS 41 HD3 LYS 41 -5.360 3.925 17.273 302 HE2 LYS 41 HE2 LYS 41 -5.054 1.357 18.752 303 HE3 LYS 41 HE3 LYS 41 -3.633 2.071 17.991 304 HZ1 LYS 41 HZ1 LYS 41 -4.171 4.152 19.206 305 HZ2 LYS 41 HZ2 LYS 41 -3.756 2.859 20.215 306 HZ3 LYS 41 HZ3 LYS 41 -5.376 3.313 20.044 307 H CYS 42 H CYS 42 -9.103 1.277 13.466 308 HA CYS 42 HA CYS 42 -11.815 1.981 14.130 309 HB2 CYS 42 HB2 CYS 42 -11.383 3.004 12.154 310 HB3 CYS 42 HB3 CYS 42 -10.174 1.813 11.687 311 H GLN 43 H GLN 43 -10.252 -0.788 12.528 312 HA GLN 43 HA GLN 43 -12.606 -2.325 12.277 313 HB2 GLN 43 HB2 GLN 43 -10.934 -4.255 12.059 314 HB3 GLN 43 HB3 GLN 43 -10.833 -2.957 10.876 315 HG2 GLN 43 HG2 GLN 43 -8.710 -2.643 11.387 316 HG3 GLN 43 HG3 GLN 43 -9.154 -2.280 13.054 317 HE21 GLN 43 HE22 GLN 43 -8.668 -5.035 10.878 318 HE22 GLN 43 HE21 GLN 43 -7.932 -6.059 12.059 319 H ASN 44 H ASN 44 -10.030 -2.308 14.716 320 HA ASN 44 HA ASN 44 -11.863 -3.721 16.532 321 HB2 ASN 44 HB2 ASN 44 -8.929 -4.275 16.074 322 HB3 ASN 44 HB3 ASN 44 -9.797 -4.839 17.499 323 HD21 ASN 44 HD22 ASN 44 -12.166 -5.645 16.547 324 HD22 ASN 44 HD21 ASN 44 -11.967 -6.938 15.419 325 HA PRO 45 HA PRO 45 -10.370 0.241 18.415 326 HB2 PRO 45 HB3 PRO 45 -12.803 0.962 19.379 327 HB3 PRO 45 HB2 PRO 45 -12.268 1.344 17.738 328 HG2 PRO 45 HG2 PRO 45 -14.049 -0.869 18.683 329 HG3 PRO 45 HG3 PRO 45 -14.227 0.183 17.266 330 HD2 PRO 45 HD2 PRO 45 -13.264 -2.343 17.095 331 HD3 PRO 45 HD3 PRO 45 -12.728 -1.041 16.013 332 H ASN 46 H ASN 46 -11.698 -2.686 19.456 333 HA ASN 46 HA ASN 46 -11.504 -1.962 22.292 334 HB2 ASN 46 HB2 ASN 46 -12.713 -3.989 22.766 335 HB3 ASN 46 HB3 ASN 46 -13.553 -3.146 21.468 336 HD21 ASN 46 HD22 ASN 46 -13.254 -3.913 19.301 337 HD22 ASN 46 HD21 ASN 46 -12.886 -5.577 19.020 338 H HIS 47 H HIS 47 -9.846 -3.614 19.797 339 HA HIS 47 HA HIS 47 -8.321 -5.336 21.540 340 HB2 HIS 47 HB2 HIS 47 -8.141 -4.685 18.600 341 HB3 HIS 47 HB3 HIS 47 -6.977 -5.731 19.409 342 HD1 HIS 47 HD1 HIS 47 -8.515 -7.005 17.208 343 HD2 HIS 47 HD2 HIS 47 -9.940 -6.882 21.109 344 HE1 HIS 47 HE1 HIS 47 -10.176 -8.886 17.378 345 H GLU 48 H GLU 48 -5.884 -5.252 21.433 346 HA GLU 48 HA GLU 48 -4.930 -2.466 21.437 347 HB2 GLU 48 HB2 GLU 48 -5.328 -3.697 23.732 348 HB3 GLU 48 HB3 GLU 48 -3.790 -4.460 23.351 349 HG2 GLU 48 HG2 GLU 48 -2.892 -2.099 23.021 350 HG3 GLU 48 HG3 GLU 48 -4.368 -1.557 23.817 351 H LYS 49 H LYS 49 -3.261 -2.143 20.133 352 HA LYS 49 HA LYS 49 -2.051 -4.228 18.661 353 HB2 LYS 49 HB2 LYS 49 -2.161 -2.074 17.655 354 HB3 LYS 49 HB3 LYS 49 -1.357 -1.316 19.023 355 HG2 LYS 49 HG2 LYS 49 0.269 -3.388 17.812 356 HG3 LYS 49 HG3 LYS 49 -0.179 -2.124 16.664 357 HD2 LYS 49 HD2 LYS 49 1.236 -0.676 17.596 358 HD3 LYS 49 HD3 LYS 49 0.599 -0.999 19.210 359 HE2 LYS 49 HE2 LYS 49 2.088 -2.793 19.548 360 HE3 LYS 49 HE3 LYS 49 2.504 -2.874 17.837 361 HZ1 LYS 49 HZ1 LYS 49 3.119 -0.308 18.757 362 HZ2 LYS 49 HZ2 LYS 49 4.185 -1.512 18.229 363 HZ3 LYS 49 HZ3 LYS 49 3.767 -1.410 19.865 364 H LEU 50 H LEU 50 -0.179 -5.327 18.925 365 HA LEU 50 HA LEU 50 1.385 -4.740 21.353 366 HB2 LEU 50 HB2 LEU 50 0.408 -7.275 20.169 367 HB3 LEU 50 HB3 LEU 50 2.008 -7.296 20.907 368 HG LEU 50 HG LEU 50 0.245 -8.066 22.438 369 HD11 LEU 50 HD11 LEU 50 1.279 -5.427 23.422 370 HD12 LEU 50 HD12 LEU 50 2.345 -6.807 23.159 371 HD13 LEU 50 HD13 LEU 50 1.025 -6.923 24.322 372 HD21 LEU 50 HD21 LEU 50 -1.379 -6.468 23.322 373 HD22 LEU 50 HD22 LEU 50 -1.595 -6.709 21.588 374 HD23 LEU 50 HD23 LEU 50 -0.805 -5.249 22.183 375 H GLY 51 H GLY 51 3.677 -5.444 21.250 376 HA2 GLY 51 HA2 GLY 51 4.797 -5.577 18.551 377 HA3 GLY 51 HA3 GLY 51 5.265 -4.208 19.550 378 H TYR 52 H TYR 52 4.683 -7.015 21.350 379 HA TYR 52 HA TYR 52 7.117 -8.387 21.080 380 HB2 TYR 52 HB2 TYR 52 7.720 -6.019 22.115 381 HB3 TYR 52 HB3 TYR 52 7.209 -6.801 23.606 382 HD1 TYR 52 HD2 TYR 52 8.480 -8.666 24.533 383 HD2 TYR 52 HD1 TYR 52 9.739 -6.710 20.970 384 HE1 TYR 52 HE2 TYR 52 10.694 -9.716 24.745 385 HE2 TYR 52 HE1 TYR 52 11.956 -7.756 21.172 386 HH TYR 52 HH TYR 52 12.768 -9.820 23.941 387 H THR 53 H THR 53 4.800 -9.508 21.242 388 HA THR 53 HA THR 53 4.704 -10.662 23.941 389 HB THR 53 HB THR 53 2.105 -10.875 23.314 390 HG1 THR 53 HG1 THR 53 2.547 -9.548 21.374 391 HG21 THR 53 HG21 THR 53 1.676 -9.128 24.877 392 HG22 THR 53 HG22 THR 53 3.216 -8.346 24.523 393 HG23 THR 53 HG23 THR 53 3.186 -9.894 25.369 394 H HIS 54 H HIS 54 3.722 -12.799 24.018 395 HA HIS 54 HA HIS 54 4.695 -14.525 22.052 396 HB2 HIS 54 HB2 HIS 54 3.425 -14.772 24.559 397 HB3 HIS 54 HB3 HIS 54 2.471 -15.726 23.428 398 HD1 HIS 54 HD1 HIS 54 3.197 -18.013 24.220 399 HD2 HIS 54 HD2 HIS 54 6.393 -15.544 23.245 400 HE1 HIS 54 HE1 HIS 54 5.226 -19.498 24.246 401 H GLU 55 H GLU 55 1.782 -12.707 22.179 402 HA GLU 55 HA GLU 55 0.314 -14.349 20.327 403 HB2 GLU 55 HB2 GLU 55 -1.386 -12.670 20.430 404 HB3 GLU 55 HB3 GLU 55 -0.760 -12.889 22.057 405 HG2 GLU 55 HG2 GLU 55 0.819 -10.890 21.275 406 HG3 GLU 55 HG3 GLU 55 -0.576 -10.562 20.248 407 H CYS 56 H CYS 56 2.756 -12.008 20.077 408 HA CYS 56 HA CYS 56 2.227 -11.735 17.192 409 HB2 CYS 56 HB2 CYS 56 3.334 -9.635 19.067 410 HB3 CYS 56 HB3 CYS 56 3.274 -9.478 17.315 411 H GLU 57 H GLU 57 3.770 -13.782 18.303 412 HA GLU 57 HA GLU 57 6.480 -13.363 18.581 413 HB2 GLU 57 HB2 GLU 57 4.819 -15.573 18.378 414 HB3 GLU 57 HB3 GLU 57 5.903 -15.747 17.005 415 HG2 GLU 57 HG2 GLU 57 6.829 -15.307 19.832 416 HG3 GLU 57 HG3 GLU 57 6.659 -16.891 19.080 417 H GLU 58 H GLU 58 4.652 -13.892 15.583 418 HA GLU 58 HA GLU 58 6.745 -13.949 13.776 419 HB2 GLU 58 HB2 GLU 58 3.877 -13.449 13.672 420 HB3 GLU 58 HB3 GLU 58 4.755 -12.542 12.448 421 HG2 GLU 58 HG2 GLU 58 5.498 -14.441 11.378 422 HG3 GLU 58 HG3 GLU 58 5.305 -15.450 12.810 423 H ALA 59 H ALA 59 5.340 -11.237 15.457 424 HA ALA 59 HA ALA 59 6.462 -9.193 13.827 425 HB1 ALA 59 HB1 ALA 59 5.640 -8.969 16.717 426 HB2 ALA 59 HB2 ALA 59 5.768 -7.668 15.532 427 HB3 ALA 59 HB3 ALA 59 4.515 -8.896 15.360 428 H ILE 60 H ILE 60 7.561 -10.951 16.665 429 HA ILE 60 HA ILE 60 9.694 -9.361 17.454 430 HB ILE 60 HB ILE 60 9.555 -12.379 17.484 431 HG12 ILE 60 HG12 ILE 60 7.673 -11.342 18.655 432 HG13 ILE 60 HG13 ILE 60 8.779 -12.088 19.804 433 HG21 ILE 60 HG21 ILE 60 11.067 -11.753 19.606 434 HG22 ILE 60 HG22 ILE 60 11.736 -12.108 18.014 435 HG23 ILE 60 HG23 ILE 60 11.518 -10.434 18.525 436 HD11 ILE 60 HD11 ILE 60 9.713 -9.515 19.639 437 HD12 ILE 60 HD12 ILE 60 7.964 -9.315 19.523 438 HD13 ILE 60 HD13 ILE 60 8.667 -10.161 20.903 439 H LYS 61 H LYS 61 9.632 -11.964 15.037 440 HA LYS 61 HA LYS 61 12.391 -11.484 14.304 441 HB2 LYS 61 HB2 LYS 61 12.100 -13.308 12.738 442 HB3 LYS 61 HB3 LYS 61 11.433 -13.768 14.299 443 HG2 LYS 61 HG2 LYS 61 9.182 -13.272 13.478 444 HG3 LYS 61 HG3 LYS 61 9.858 -12.831 11.908 445 HD2 LYS 61 HD2 LYS 61 9.102 -15.055 11.677 446 HD3 LYS 61 HD3 LYS 61 10.856 -15.164 11.844 447 HE2 LYS 61 HE2 LYS 61 10.634 -15.766 14.172 448 HE3 LYS 61 HE3 LYS 61 8.888 -15.530 14.101 449 HZ1 LYS 61 HZ1 LYS 61 8.745 -17.667 13.583 450 HZ2 LYS 61 HZ2 LYS 61 10.420 -17.817 13.395 451 HZ3 LYS 61 HZ3 LYS 61 9.464 -17.315 12.093 452 H ASN 62 H ASN 62 9.183 -10.810 13.032 453 HA ASN 62 HA ASN 62 9.901 -9.968 10.462 454 HB2 ASN 62 HB2 ASN 62 7.574 -10.390 11.152 455 HB3 ASN 62 HB3 ASN 62 7.627 -8.971 12.194 456 HD21 ASN 62 HD22 ASN 62 7.600 -6.925 11.279 457 HD22 ASN 62 HD21 ASN 62 7.141 -6.659 9.634 458 H ALA 63 H ALA 63 9.697 -8.179 13.510 459 HA ALA 63 HA ALA 63 10.422 -5.674 12.302 460 HB1 ALA 63 HB1 ALA 63 9.831 -6.628 15.048 461 HB2 ALA 63 HB2 ALA 63 10.791 -5.158 14.878 462 HB3 ALA 63 HB3 ALA 63 9.182 -5.248 14.162 463 HA PRO 64 HA PRO 64 14.802 -5.847 12.498 464 HB2 PRO 64 HB3 PRO 64 15.450 -3.344 13.327 465 HB3 PRO 64 HB2 PRO 64 14.828 -3.689 11.709 466 HG2 PRO 64 HG2 PRO 64 13.378 -2.653 14.115 467 HG3 PRO 64 HG3 PRO 64 13.256 -2.132 12.424 468 HD2 PRO 64 HD2 PRO 64 11.436 -3.772 13.578 469 HD3 PRO 64 HD3 PRO 64 11.858 -3.874 11.856 470 H ARG 65 H ARG 65 16.465 -6.325 13.873 471 HA ARG 65 HA ARG 65 15.918 -6.032 16.754 472 HB2 ARG 65 HB2 ARG 65 17.408 -8.219 15.295 473 HB3 ARG 65 HB3 ARG 65 17.347 -8.062 17.045 474 HG2 ARG 65 HG2 ARG 65 14.711 -8.019 16.449 475 HG3 ARG 65 HG3 ARG 65 15.328 -9.059 15.164 476 HD2 ARG 65 HD2 ARG 65 16.639 -10.006 17.378 477 HD3 ARG 65 HD3 ARG 65 15.061 -9.565 18.029 478 HE ARG 65 HE ARG 65 14.462 -10.974 15.787 479 HH11 ARG 65 HH11 ARG 65 16.430 -11.601 18.590 480 HH12 ARG 65 HH12 ARG 65 16.170 -13.314 18.550 481 HH21 ARG 65 HH22 ARG 65 14.113 -13.227 15.724 482 HH22 ARG 65 HH21 ARG 65 14.853 -14.238 16.919 483 HA PRO 66 HA PRO 66 19.639 -3.470 16.010 484 HB2 PRO 66 HB3 PRO 66 19.103 -1.743 18.035 485 HB3 PRO 66 HB2 PRO 66 18.390 -1.586 16.425 486 HG2 PRO 66 HG2 PRO 66 17.210 -2.758 18.914 487 HG3 PRO 66 HG3 PRO 66 16.459 -1.687 17.716 488 HD2 PRO 66 HD2 PRO 66 16.036 -4.362 17.748 489 HD3 PRO 66 HD3 PRO 66 16.045 -3.415 16.247 Start of MODEL 17 1 H1 VAL 1 H1 VAL 1 -4.492 -5.046 1.480 2 HA VAL 1 HA VAL 1 -2.243 -4.564 3.320 3 HB VAL 1 HB VAL 1 -3.684 -2.656 4.244 4 HG11 VAL 1 HG11 VAL 1 -2.955 -1.245 2.069 5 HG12 VAL 1 HG12 VAL 1 -1.822 -1.783 3.311 6 HG13 VAL 1 HG13 VAL 1 -2.005 -2.709 1.821 7 HG21 VAL 1 HG21 VAL 1 -4.812 -2.179 1.589 8 HG22 VAL 1 HG22 VAL 1 -5.511 -3.567 2.423 9 HG23 VAL 1 HG23 VAL 1 -5.537 -1.976 3.184 10 HA PRO 2 HA PRO 2 -4.458 -6.863 6.334 11 HB2 PRO 2 HB3 PRO 2 -3.752 -5.579 8.619 12 HB3 PRO 2 HB2 PRO 2 -2.635 -6.601 7.707 13 HG2 PRO 2 HG2 PRO 2 -2.901 -3.620 7.711 14 HG3 PRO 2 HG3 PRO 2 -1.431 -4.612 7.738 15 HD2 PRO 2 HD2 PRO 2 -2.362 -3.446 5.478 16 HD3 PRO 2 HD3 PRO 2 -1.501 -4.999 5.467 17 H VAL 3 H VAL 3 -6.551 -6.878 6.836 18 HA VAL 3 HA VAL 3 -7.795 -4.554 8.061 19 HB VAL 3 HB VAL 3 -8.867 -5.730 5.492 20 HG11 VAL 3 HG11 VAL 3 -10.854 -5.077 6.261 21 HG12 VAL 3 HG12 VAL 3 -10.130 -4.245 7.639 22 HG13 VAL 3 HG13 VAL 3 -10.273 -3.422 6.086 23 HG21 VAL 3 HG21 VAL 3 -8.556 -3.357 4.686 24 HG22 VAL 3 HG22 VAL 3 -7.595 -3.080 6.138 25 HG23 VAL 3 HG23 VAL 3 -7.074 -4.276 4.951 26 H GLY 4 H GLY 4 -9.389 -5.091 9.464 27 HA2 GLY 4 HA2 GLY 4 -9.886 -7.948 9.838 28 HA3 GLY 4 HA3 GLY 4 -10.243 -6.671 10.992 29 H SER 5 H SER 5 -11.181 -6.410 7.646 30 HA SER 5 HA SER 5 -13.222 -6.177 6.664 31 HB2 SER 5 HB2 SER 5 -13.159 -8.695 7.938 32 HB3 SER 5 HB3 SER 5 -14.758 -8.022 8.255 33 HG SER 5 HG SER 5 -13.686 -7.908 5.661 34 H ASP 6 H ASP 6 -12.606 -4.578 9.066 35 HA ASP 6 HA ASP 6 -15.340 -3.705 9.616 36 HB2 ASP 6 HB2 ASP 6 -13.393 -4.709 11.631 37 HB3 ASP 6 HB3 ASP 6 -14.360 -3.304 12.069 38 H CYS 7 H CYS 7 -12.889 -2.792 8.100 39 HA CYS 7 HA CYS 7 -13.051 -0.023 8.923 40 HB2 CYS 7 HB2 CYS 7 -11.175 -1.028 10.275 41 HB3 CYS 7 HB3 CYS 7 -10.336 -1.338 8.759 42 H GLU 8 H GLU 8 -12.330 1.443 7.316 43 HA GLU 8 HA GLU 8 -11.950 0.199 4.671 44 HB2 GLU 8 HB2 GLU 8 -14.093 1.281 4.747 45 HB3 GLU 8 HB3 GLU 8 -13.392 2.738 5.438 46 HG2 GLU 8 HG2 GLU 8 -12.607 3.480 3.445 47 HG3 GLU 8 HG3 GLU 8 -12.361 1.854 2.808 48 HA PRO 9 HA PRO 9 -8.027 2.397 5.262 49 HB2 PRO 9 HB3 PRO 9 -6.693 0.940 3.400 50 HB3 PRO 9 HB2 PRO 9 -6.956 0.375 5.054 51 HG2 PRO 9 HG2 PRO 9 -8.458 -0.311 2.557 52 HG3 PRO 9 HG3 PRO 9 -7.923 -1.377 3.869 53 HD2 PRO 9 HD2 PRO 9 -10.470 -0.481 3.668 54 HD3 PRO 9 HD3 PRO 9 -9.689 -0.797 5.231 55 H LYS 10 H LYS 10 -8.261 4.386 4.387 56 HA LYS 10 HA LYS 10 -7.714 4.715 1.580 57 HB2 LYS 10 HB2 LYS 10 -10.378 4.536 2.260 58 HB3 LYS 10 HB3 LYS 10 -10.096 6.272 2.272 59 HG2 LYS 10 HG2 LYS 10 -9.157 6.080 -0.017 60 HG3 LYS 10 HG3 LYS 10 -9.614 4.375 -0.015 61 HD2 LYS 10 HD2 LYS 10 -11.895 4.863 -0.003 62 HD3 LYS 10 HD3 LYS 10 -11.634 6.512 0.571 63 HE2 LYS 10 HE2 LYS 10 -10.669 7.128 -1.571 64 HE3 LYS 10 HE3 LYS 10 -10.839 5.470 -2.147 65 HZ1 LYS 10 HZ1 LYS 10 -12.813 6.096 -2.910 66 HZ2 LYS 10 HZ2 LYS 10 -12.774 7.565 -2.071 67 HZ3 LYS 10 HZ3 LYS 10 -13.345 6.169 -1.305 68 H LEU 11 H LEU 11 -6.688 5.445 4.301 69 HA LEU 11 HA LEU 11 -5.645 7.963 3.692 70 HB2 LEU 11 HB2 LEU 11 -8.243 8.204 4.536 71 HB3 LEU 11 HB3 LEU 11 -7.335 8.452 6.025 72 HG LEU 11 HG LEU 11 -7.857 10.572 4.960 73 HD11 LEU 11 HD11 LEU 11 -5.825 11.528 5.342 74 HD12 LEU 11 HD12 LEU 11 -4.947 10.293 4.439 75 HD13 LEU 11 HD13 LEU 11 -5.538 9.944 6.064 76 HD21 LEU 11 HD21 LEU 11 -8.007 9.779 2.650 77 HD22 LEU 11 HD22 LEU 11 -6.260 9.536 2.620 78 HD23 LEU 11 HD23 LEU 11 -6.921 11.162 2.789 79 H CYS 12 H CYS 12 -3.705 7.440 4.489 80 HA CYS 12 HA CYS 12 -3.343 7.296 7.329 81 HB2 CYS 12 HB2 CYS 12 -2.355 5.106 7.465 82 HB3 CYS 12 HB3 CYS 12 -3.956 4.940 6.749 83 H THR 13 H THR 13 -0.860 6.590 7.686 84 HA THR 13 HA THR 13 0.725 8.037 5.665 85 HB THR 13 HB THR 13 2.098 8.335 8.073 86 HG1 THR 13 HG1 THR 13 -0.684 8.409 8.436 87 HG21 THR 13 HG21 THR 13 0.780 10.725 7.714 88 HG22 THR 13 HG22 THR 13 0.727 10.002 6.107 89 HG23 THR 13 HG23 THR 13 2.276 10.247 6.914 90 H MET 14 H MET 14 2.743 7.239 5.183 91 HA MET 14 HA MET 14 3.206 4.478 5.903 92 HB2 MET 14 HB2 MET 14 4.846 4.454 4.192 93 HB3 MET 14 HB3 MET 14 3.521 5.434 3.578 94 HG2 MET 14 HG2 MET 14 5.131 6.880 3.036 95 HG3 MET 14 HG3 MET 14 5.069 7.327 4.739 96 HE1 MET 14 HE1 MET 14 8.746 7.299 3.222 97 HE2 MET 14 HE2 MET 14 7.868 6.331 2.038 98 HE3 MET 14 HE3 MET 14 7.154 7.816 2.665 99 H ASP 15 H ASP 15 5.184 3.679 6.784 100 HA ASP 15 HA ASP 15 7.241 5.305 7.795 101 HB2 ASP 15 HB2 ASP 15 5.136 5.836 9.287 102 HB3 ASP 15 HB3 ASP 15 5.563 4.314 10.065 103 H LEU 16 H LEU 16 8.477 4.038 9.619 104 HA LEU 16 HA LEU 16 8.514 1.216 8.785 105 HB2 LEU 16 HB2 LEU 16 10.744 2.833 10.006 106 HB3 LEU 16 HB3 LEU 16 10.854 1.185 9.393 107 HG LEU 16 HG LEU 16 9.937 3.086 7.382 108 HD11 LEU 16 HD11 LEU 16 11.320 4.687 8.438 109 HD12 LEU 16 HD12 LEU 16 12.250 4.043 7.085 110 HD13 LEU 16 HD13 LEU 16 12.594 3.503 8.728 111 HD21 LEU 16 HD21 LEU 16 10.945 0.626 7.327 112 HD22 LEU 16 HD22 LEU 16 12.450 1.530 7.158 113 HD23 LEU 16 HD23 LEU 16 11.148 1.759 5.990 114 H VAL 17 H VAL 17 6.640 1.694 10.623 115 HA VAL 17 HA VAL 17 7.841 0.907 13.197 116 HB VAL 17 HB VAL 17 5.077 2.043 12.767 117 HG11 VAL 17 HG11 VAL 17 6.059 0.632 14.890 118 HG12 VAL 17 HG12 VAL 17 6.372 2.299 15.377 119 HG13 VAL 17 HG13 VAL 17 4.733 1.792 14.966 120 HG21 VAL 17 HG21 VAL 17 7.675 3.396 13.438 121 HG22 VAL 17 HG22 VAL 17 6.520 3.799 12.168 122 HG23 VAL 17 HG23 VAL 17 6.114 4.100 13.858 123 HA PRO 18 HA PRO 18 5.733 -2.888 11.618 124 HB2 PRO 18 HB3 PRO 18 7.629 -4.591 12.552 125 HB3 PRO 18 HB2 PRO 18 7.752 -3.783 10.985 126 HG2 PRO 18 HG2 PRO 18 9.036 -3.065 13.592 127 HG3 PRO 18 HG3 PRO 18 9.739 -3.074 11.964 128 HD2 PRO 18 HD2 PRO 18 8.899 -0.803 13.176 129 HD3 PRO 18 HD3 PRO 18 8.815 -1.034 11.418 130 H HIS 19 H HIS 19 4.051 -3.308 12.915 131 HA HIS 19 HA HIS 19 4.602 -4.290 15.620 132 HB2 HIS 19 HB2 HIS 19 2.998 -1.911 14.888 133 HB3 HIS 19 HB3 HIS 19 2.277 -2.989 16.081 134 HD1 HIS 19 HD1 HIS 19 4.550 -3.739 17.849 135 HD2 HIS 19 HD2 HIS 19 4.131 0.092 16.294 136 HE1 HIS 19 HE1 HIS 19 5.861 -2.242 19.386 137 H CYS 20 H CYS 20 2.754 -5.482 16.550 138 HA CYS 20 HA CYS 20 1.377 -6.979 14.440 139 HB2 CYS 20 HB2 CYS 20 1.005 -8.688 16.192 140 HB3 CYS 20 HB3 CYS 20 2.713 -8.324 15.961 141 H PHE 21 H PHE 21 -0.852 -7.535 14.662 142 HA PHE 21 HA PHE 21 -2.438 -6.115 16.632 143 HB2 PHE 21 HB2 PHE 21 -3.909 -5.180 14.749 144 HB3 PHE 21 HB3 PHE 21 -2.380 -4.364 15.058 145 HD1 PHE 21 HD2 PHE 21 -0.489 -4.651 13.512 146 HD2 PHE 21 HD1 PHE 21 -4.325 -6.306 12.696 147 HE1 PHE 21 HE2 PHE 21 0.144 -4.946 11.153 148 HE2 PHE 21 HE1 PHE 21 -3.697 -6.605 10.335 149 HZ PHE 21 HZ PHE 21 -1.460 -5.923 9.561 150 H LEU 22 H LEU 22 -4.730 -6.728 16.544 151 HA LEU 22 HA LEU 22 -4.987 -9.531 15.834 152 HB2 LEU 22 HB2 LEU 22 -6.112 -7.775 17.793 153 HB3 LEU 22 HB3 LEU 22 -7.410 -8.546 16.884 154 HG LEU 22 HG LEU 22 -5.352 -10.419 17.767 155 HD11 LEU 22 HD11 LEU 22 -6.475 -8.495 19.673 156 HD12 LEU 22 HD12 LEU 22 -5.057 -9.535 19.806 157 HD13 LEU 22 HD13 LEU 22 -6.662 -10.188 20.133 158 HD21 LEU 22 HD21 LEU 22 -8.308 -10.208 17.611 159 HD22 LEU 22 HD22 LEU 22 -7.624 -11.348 18.771 160 HD23 LEU 22 HD23 LEU 22 -7.230 -11.491 17.058 161 H ASN 23 H ASN 23 -5.801 -10.164 13.959 162 HA ASN 23 HA ASN 23 -7.667 -8.366 12.556 163 HB2 ASN 23 HB2 ASN 23 -5.244 -9.345 11.650 164 HB3 ASN 23 HB3 ASN 23 -6.415 -10.434 10.912 165 HD21 ASN 23 HD22 ASN 23 -5.986 -9.648 8.858 166 HD22 ASN 23 HD21 ASN 23 -6.532 -8.095 8.334 167 HA PRO 24 HA PRO 24 -10.378 -11.850 13.566 168 HB2 PRO 24 HB3 PRO 24 -12.670 -10.453 13.161 169 HB3 PRO 24 HB2 PRO 24 -11.739 -10.357 14.661 170 HG2 PRO 24 HG2 PRO 24 -11.774 -8.480 12.329 171 HG3 PRO 24 HG3 PRO 24 -11.778 -8.110 14.063 172 HD2 PRO 24 HD2 PRO 24 -9.538 -7.970 12.549 173 HD3 PRO 24 HD3 PRO 24 -9.504 -8.427 14.264 174 H GLU 25 H GLU 25 -9.747 -10.160 10.714 175 HA GLU 25 HA GLU 25 -11.778 -11.417 9.094 176 HB2 GLU 25 HB2 GLU 25 -11.045 -9.222 8.441 177 HB3 GLU 25 HB3 GLU 25 -9.365 -9.740 8.400 178 HG2 GLU 25 HG2 GLU 25 -10.501 -9.478 6.173 179 HG3 GLU 25 HG3 GLU 25 -9.699 -11.021 6.456 180 H LYS 26 H LYS 26 -8.390 -11.914 9.854 181 HA LYS 26 HA LYS 26 -8.536 -14.539 8.567 182 HB2 LYS 26 HB2 LYS 26 -6.168 -14.168 7.725 183 HB3 LYS 26 HB3 LYS 26 -7.440 -13.301 6.874 184 HG2 LYS 26 HG2 LYS 26 -6.896 -11.306 8.291 185 HG3 LYS 26 HG3 LYS 26 -5.492 -12.198 8.881 186 HD2 LYS 26 HD2 LYS 26 -4.428 -11.248 7.145 187 HD3 LYS 26 HD3 LYS 26 -5.233 -12.492 6.185 188 HE2 LYS 26 HE2 LYS 26 -7.116 -10.903 5.827 189 HE3 LYS 26 HE3 LYS 26 -6.173 -9.665 6.656 190 HZ1 LYS 26 HZ1 LYS 26 -5.478 -11.037 4.118 191 HZ2 LYS 26 HZ2 LYS 26 -4.426 -10.007 4.952 192 HZ3 LYS 26 HZ3 LYS 26 -5.876 -9.405 4.321 193 H GLY 27 H GLY 27 -6.498 -12.375 10.534 194 HA2 GLY 27 HA2 GLY 27 -6.408 -13.756 12.856 195 HA3 GLY 27 HA3 GLY 27 -5.240 -14.613 11.862 196 H ILE 28 H ILE 28 -4.229 -13.600 14.067 197 HA ILE 28 HA ILE 28 -3.453 -10.975 14.252 198 HB ILE 28 HB ILE 28 -2.890 -12.484 16.016 199 HG12 ILE 28 HG12 ILE 28 -1.232 -10.551 15.170 200 HG13 ILE 28 HG13 ILE 28 -0.900 -11.530 16.595 201 HG21 ILE 28 HG21 ILE 28 -1.087 -14.197 15.700 202 HG22 ILE 28 HG22 ILE 28 -2.591 -14.534 14.845 203 HG23 ILE 28 HG23 ILE 28 -1.201 -13.899 13.965 204 HD11 ILE 28 HD11 ILE 28 0.699 -12.799 15.500 205 HD12 ILE 28 HD12 ILE 28 0.098 -12.358 13.902 206 HD13 ILE 28 HD13 ILE 28 0.968 -11.172 14.875 207 H VAL 29 H VAL 29 -2.133 -9.642 13.177 208 HA VAL 29 HA VAL 29 -0.154 -10.766 11.328 209 HB VAL 29 HB VAL 29 -2.057 -8.550 10.560 210 HG11 VAL 29 HG11 VAL 29 -1.042 -8.923 8.296 211 HG12 VAL 29 HG12 VAL 29 0.047 -8.221 9.493 212 HG13 VAL 29 HG13 VAL 29 0.173 -9.931 9.081 213 HG21 VAL 29 HG21 VAL 29 -2.237 -11.453 10.309 214 HG22 VAL 29 HG22 VAL 29 -3.486 -10.220 10.138 215 HG23 VAL 29 HG23 VAL 29 -2.431 -10.601 8.777 216 H VAL 30 H VAL 30 1.640 -9.455 10.935 217 HA VAL 30 HA VAL 30 1.810 -6.982 12.523 218 HB VAL 30 HB VAL 30 2.975 -8.731 13.757 219 HG11 VAL 30 HG11 VAL 30 4.825 -9.038 11.404 220 HG12 VAL 30 HG12 VAL 30 4.760 -10.009 12.877 221 HG13 VAL 30 HG13 VAL 30 3.456 -10.111 11.693 222 HG21 VAL 30 HG21 VAL 30 4.198 -6.328 12.748 223 HG22 VAL 30 HG22 VAL 30 4.298 -7.047 14.355 224 HG23 VAL 30 HG23 VAL 30 5.422 -7.549 13.093 225 H VAL 31 H VAL 31 2.474 -5.282 11.389 226 HA VAL 31 HA VAL 31 4.367 -5.591 9.209 227 HB VAL 31 HB VAL 31 2.929 -4.265 7.642 228 HG11 VAL 31 HG11 VAL 31 1.765 -6.156 6.795 229 HG12 VAL 31 HG12 VAL 31 3.240 -6.760 7.552 230 HG13 VAL 31 HG13 VAL 31 1.693 -6.907 8.388 231 HG21 VAL 31 HG21 VAL 31 0.472 -5.129 9.012 232 HG22 VAL 31 HG22 VAL 31 1.348 -3.809 9.788 233 HG23 VAL 31 HG23 VAL 31 0.812 -3.649 8.115 234 H HIS 32 H HIS 32 5.045 -3.457 8.327 235 HA HIS 32 HA HIS 32 5.073 -1.471 10.488 236 HB2 HIS 32 HB2 HIS 32 7.122 -0.642 9.551 237 HB3 HIS 32 HB3 HIS 32 7.249 -2.395 9.650 238 HD1 HIS 32 HD1 HIS 32 6.621 -3.638 7.261 239 HD2 HIS 32 HD2 HIS 32 7.789 0.346 7.124 240 HE1 HIS 32 HE1 HIS 32 7.320 -3.224 4.881 241 H GLY 33 H GLY 33 4.747 0.744 10.052 242 HA2 GLY 33 HA2 GLY 33 4.352 2.462 8.310 243 HA3 GLY 33 HA3 GLY 33 3.343 1.270 7.504 244 H GLY 34 H GLY 34 2.957 4.043 8.842 245 HA2 GLY 34 HA2 GLY 34 1.315 3.884 11.055 246 HA3 GLY 34 HA3 GLY 34 1.164 5.110 9.805 247 H CYS 35 H CYS 35 0.579 3.043 7.752 248 HA CYS 35 HA CYS 35 -2.193 3.158 7.775 249 HB2 CYS 35 HB2 CYS 35 -0.215 2.174 6.052 250 HB3 CYS 35 HB3 CYS 35 -1.265 0.799 6.377 251 H ALA 36 H ALA 36 -0.071 0.483 8.755 252 HA ALA 36 HA ALA 36 -2.110 -1.329 9.435 253 HB1 ALA 36 HB1 ALA 36 0.283 -1.914 9.093 254 HB2 ALA 36 HB2 ALA 36 0.641 -1.181 10.657 255 HB3 ALA 36 HB3 ALA 36 -0.414 -2.591 10.565 256 H LEU 37 H LEU 37 -0.668 1.334 11.172 257 HA LEU 37 HA LEU 37 -1.747 0.589 13.728 258 HB2 LEU 37 HB2 LEU 37 0.320 1.994 13.315 259 HB3 LEU 37 HB3 LEU 37 -0.774 3.312 12.899 260 HG LEU 37 HG LEU 37 -1.683 3.296 15.155 261 HD11 LEU 37 HD11 LEU 37 -0.271 0.753 15.284 262 HD12 LEU 37 HD12 LEU 37 -1.620 1.354 16.249 263 HD13 LEU 37 HD13 LEU 37 0.034 1.789 16.679 264 HD21 LEU 37 HD21 LEU 37 0.240 4.707 14.721 265 HD22 LEU 37 HD22 LEU 37 1.332 3.369 15.082 266 HD23 LEU 37 HD23 LEU 37 0.324 4.053 16.358 267 H SER 38 H SER 38 -2.606 2.881 11.173 268 HA SER 38 HA SER 38 -4.797 4.039 12.558 269 HB2 SER 38 HB2 SER 38 -4.307 3.911 9.573 270 HB3 SER 38 HB3 SER 38 -5.396 5.021 10.404 271 HG SER 38 HG SER 38 -2.979 5.543 9.827 272 H LYS 39 H LYS 39 -4.635 1.610 9.959 273 HA LYS 39 HA LYS 39 -7.381 1.088 9.807 274 HB2 LYS 39 HB2 LYS 39 -4.902 -0.334 8.987 275 HB3 LYS 39 HB3 LYS 39 -6.383 -1.280 9.055 276 HG2 LYS 39 HG2 LYS 39 -5.941 -0.378 6.818 277 HG3 LYS 39 HG3 LYS 39 -7.458 0.217 7.495 278 HD2 LYS 39 HD2 LYS 39 -5.057 1.860 8.014 279 HD3 LYS 39 HD3 LYS 39 -5.624 1.808 6.343 280 HE2 LYS 39 HE2 LYS 39 -7.962 2.218 7.542 281 HE3 LYS 39 HE3 LYS 39 -6.917 2.942 8.763 282 HZ1 LYS 39 HZ1 LYS 39 -7.843 4.322 6.741 283 HZ2 LYS 39 HZ2 LYS 39 -6.472 3.695 5.973 284 HZ3 LYS 39 HZ3 LYS 39 -6.305 4.618 7.380 285 H TYR 40 H TYR 40 -4.908 -0.133 11.965 286 HA TYR 40 HA TYR 40 -6.517 -2.234 13.057 287 HB2 TYR 40 HB2 TYR 40 -4.109 -2.431 13.142 288 HB3 TYR 40 HB3 TYR 40 -3.977 -0.927 14.047 289 HD1 TYR 40 HD2 TYR 40 -6.472 -3.592 14.655 290 HD2 TYR 40 HD1 TYR 40 -2.883 -1.735 15.985 291 HE1 TYR 40 HE2 TYR 40 -6.608 -4.852 16.762 292 HE2 TYR 40 HE1 TYR 40 -3.009 -2.991 18.096 293 HH TYR 40 HH TYR 40 -5.071 -4.097 19.459 294 H LYS 41 H LYS 41 -5.849 1.112 13.882 295 HA LYS 41 HA LYS 41 -7.111 1.023 16.444 296 HB2 LYS 41 HB2 LYS 41 -5.745 2.989 14.800 297 HB3 LYS 41 HB3 LYS 41 -7.167 3.674 15.576 298 HG2 LYS 41 HG2 LYS 41 -6.337 2.955 17.752 299 HG3 LYS 41 HG3 LYS 41 -4.919 2.243 16.980 300 HD2 LYS 41 HD2 LYS 41 -3.990 4.294 16.491 301 HD3 LYS 41 HD3 LYS 41 -5.550 5.119 16.492 302 HE2 LYS 41 HE2 LYS 41 -5.571 5.364 18.767 303 HE3 LYS 41 HE3 LYS 41 -4.589 3.925 19.041 304 HZ1 LYS 41 HZ1 LYS 41 -3.759 6.598 18.929 305 HZ2 LYS 41 HZ2 LYS 41 -3.041 5.778 17.635 306 HZ3 LYS 41 HZ3 LYS 41 -2.821 5.220 19.216 307 H CYS 42 H CYS 42 -8.205 1.419 13.194 308 HA CYS 42 HA CYS 42 -10.792 2.472 14.042 309 HB2 CYS 42 HB2 CYS 42 -10.390 3.569 12.098 310 HB3 CYS 42 HB3 CYS 42 -9.302 2.320 11.500 311 H GLN 43 H GLN 43 -9.424 -0.362 12.407 312 HA GLN 43 HA GLN 43 -11.869 -1.727 12.054 313 HB2 GLN 43 HB2 GLN 43 -10.585 -3.584 11.398 314 HB3 GLN 43 HB3 GLN 43 -9.620 -2.191 10.929 315 HG2 GLN 43 HG2 GLN 43 -7.930 -3.134 12.001 316 HG3 GLN 43 HG3 GLN 43 -8.774 -2.755 13.501 317 HE21 GLN 43 HE22 GLN 43 -10.946 -4.598 12.974 318 HE22 GLN 43 HE21 GLN 43 -10.316 -6.185 13.238 319 H ASN 44 H ASN 44 -9.687 -1.435 14.749 320 HA ASN 44 HA ASN 44 -11.613 -2.726 16.474 321 HB2 ASN 44 HB2 ASN 44 -9.008 -3.980 15.757 322 HB3 ASN 44 HB3 ASN 44 -9.528 -4.086 17.436 323 HD21 ASN 44 HD22 ASN 44 -9.206 -6.291 15.752 324 HD22 ASN 44 HD21 ASN 44 -10.753 -7.019 15.504 325 HA PRO 45 HA PRO 45 -9.344 0.865 18.323 326 HB2 PRO 45 HB3 PRO 45 -11.579 2.073 19.280 327 HB3 PRO 45 HB2 PRO 45 -10.981 2.324 17.636 328 HG2 PRO 45 HG2 PRO 45 -13.171 0.526 18.601 329 HG3 PRO 45 HG3 PRO 45 -13.135 1.579 17.175 330 HD2 PRO 45 HD2 PRO 45 -12.705 -1.090 17.027 331 HD3 PRO 45 HD3 PRO 45 -11.917 0.066 15.934 332 H ASN 46 H ASN 46 -11.266 -1.708 19.396 333 HA ASN 46 HA ASN 46 -10.989 -1.009 22.221 334 HB2 ASN 46 HB2 ASN 46 -12.273 -3.509 21.133 335 HB3 ASN 46 HB3 ASN 46 -12.542 -2.731 22.690 336 HD21 ASN 46 HD22 ASN 46 -13.389 -2.839 19.370 337 HD22 ASN 46 HD21 ASN 46 -14.635 -1.643 19.420 338 H HIS 47 H HIS 47 -9.493 -2.899 19.796 339 HA HIS 47 HA HIS 47 -8.269 -4.784 21.613 340 HB2 HIS 47 HB2 HIS 47 -7.975 -4.244 18.662 341 HB3 HIS 47 HB3 HIS 47 -6.936 -5.387 19.509 342 HD1 HIS 47 HD1 HIS 47 -8.237 -6.941 17.598 343 HD2 HIS 47 HD2 HIS 47 -10.376 -5.761 20.958 344 HE1 HIS 47 HE1 HIS 47 -10.187 -8.522 17.743 345 H GLU 48 H GLU 48 -5.894 -5.016 21.722 346 HA GLU 48 HA GLU 48 -4.507 -2.426 21.538 347 HB2 GLU 48 HB2 GLU 48 -3.279 -3.106 23.639 348 HB3 GLU 48 HB3 GLU 48 -4.971 -2.678 23.852 349 HG2 GLU 48 HG2 GLU 48 -4.496 -5.524 23.361 350 HG3 GLU 48 HG3 GLU 48 -3.784 -4.905 24.850 351 H LYS 49 H LYS 49 -2.536 -2.473 20.630 352 HA LYS 49 HA LYS 49 -1.652 -4.732 19.221 353 HB2 LYS 49 HB2 LYS 49 -0.988 -2.615 18.401 354 HB3 LYS 49 HB3 LYS 49 -0.322 -2.132 19.955 355 HG2 LYS 49 HG2 LYS 49 0.938 -4.515 18.837 356 HG3 LYS 49 HG3 LYS 49 1.112 -3.075 17.831 357 HD2 LYS 49 HD2 LYS 49 1.742 -3.148 20.778 358 HD3 LYS 49 HD3 LYS 49 2.942 -3.416 19.511 359 HE2 LYS 49 HE2 LYS 49 2.498 -1.198 18.607 360 HE3 LYS 49 HE3 LYS 49 1.258 -0.932 19.831 361 HZ1 LYS 49 HZ1 LYS 49 2.808 -0.692 21.481 362 HZ2 LYS 49 HZ2 LYS 49 3.656 -0.029 20.175 363 HZ3 LYS 49 HZ3 LYS 49 3.986 -1.608 20.684 364 H LEU 50 H LEU 50 -0.180 -6.302 19.648 365 HA LEU 50 HA LEU 50 0.648 -6.594 22.425 366 HB2 LEU 50 HB2 LEU 50 0.192 -8.379 20.142 367 HB3 LEU 50 HB3 LEU 50 1.576 -8.812 21.144 368 HG LEU 50 HG LEU 50 0.153 -9.011 23.090 369 HD11 LEU 50 HD11 LEU 50 -1.522 -7.442 22.932 370 HD12 LEU 50 HD12 LEU 50 -2.397 -8.927 22.561 371 HD13 LEU 50 HD13 LEU 50 -1.897 -7.850 21.258 372 HD21 LEU 50 HD21 LEU 50 -0.553 -11.077 22.556 373 HD22 LEU 50 HD22 LEU 50 0.243 -10.752 21.016 374 HD23 LEU 50 HD23 LEU 50 -1.497 -10.513 21.177 375 H GLY 51 H GLY 51 2.904 -7.870 22.532 376 HA2 GLY 51 HA2 GLY 51 4.932 -7.075 20.714 377 HA3 GLY 51 HA3 GLY 51 4.904 -5.992 22.098 378 H TYR 52 H TYR 52 4.081 -8.047 23.980 379 HA TYR 52 HA TYR 52 6.607 -9.559 24.122 380 HB2 TYR 52 HB2 TYR 52 5.879 -7.676 25.879 381 HB3 TYR 52 HB3 TYR 52 5.035 -9.045 26.594 382 HD1 TYR 52 HD2 TYR 52 8.397 -8.511 25.035 383 HD2 TYR 52 HD1 TYR 52 6.178 -9.986 28.352 384 HE1 TYR 52 HE2 TYR 52 10.490 -9.235 26.105 385 HE2 TYR 52 HE1 TYR 52 8.265 -10.713 29.432 386 HH TYR 52 HH TYR 52 11.107 -11.077 27.883 387 H THR 53 H THR 53 4.069 -10.358 22.859 388 HA THR 53 HA THR 53 3.351 -12.638 24.581 389 HB THR 53 HB THR 53 1.706 -11.683 22.246 390 HG1 THR 53 HG1 THR 53 1.972 -9.971 23.809 391 HG21 THR 53 HG21 THR 53 -0.104 -12.808 23.467 392 HG22 THR 53 HG22 THR 53 1.036 -13.263 24.733 393 HG23 THR 53 HG23 THR 53 1.219 -13.917 23.105 394 H HIS 54 H HIS 54 3.166 -14.709 23.652 395 HA HIS 54 HA HIS 54 5.148 -15.417 21.824 396 HB2 HIS 54 HB2 HIS 54 2.967 -16.765 23.227 397 HB3 HIS 54 HB3 HIS 54 3.312 -17.478 21.654 398 HD1 HIS 54 HD1 HIS 54 5.366 -16.348 24.662 399 HD2 HIS 54 HD2 HIS 54 5.205 -19.386 21.832 400 HE1 HIS 54 HE1 HIS 54 7.235 -17.922 25.258 401 H GLU 55 H GLU 55 1.950 -14.248 21.306 402 HA GLU 55 HA GLU 55 1.698 -15.254 18.622 403 HB2 GLU 55 HB2 GLU 55 0.104 -13.019 19.870 404 HB3 GLU 55 HB3 GLU 55 -0.363 -14.056 18.530 405 HG2 GLU 55 HG2 GLU 55 0.082 -15.867 20.522 406 HG3 GLU 55 HG3 GLU 55 -0.575 -14.492 21.407 407 H CYS 56 H CYS 56 3.077 -12.486 20.142 408 HA CYS 56 HA CYS 56 3.268 -11.060 17.587 409 HB2 CYS 56 HB2 CYS 56 2.488 -9.935 19.767 410 HB3 CYS 56 HB3 CYS 56 4.178 -10.005 20.256 411 H GLU 57 H GLU 57 4.837 -13.484 18.412 412 HA GLU 57 HA GLU 57 7.515 -12.663 18.907 413 HB2 GLU 57 HB2 GLU 57 6.409 -14.979 19.271 414 HB3 GLU 57 HB3 GLU 57 6.780 -15.253 17.575 415 HG2 GLU 57 HG2 GLU 57 8.926 -15.642 17.999 416 HG3 GLU 57 HG3 GLU 57 9.059 -14.237 19.055 417 H GLU 58 H GLU 58 5.808 -13.718 15.971 418 HA GLU 58 HA GLU 58 7.919 -13.582 14.179 419 HB2 GLU 58 HB2 GLU 58 5.846 -14.549 13.485 420 HB3 GLU 58 HB3 GLU 58 4.975 -13.053 13.788 421 HG2 GLU 58 HG2 GLU 58 6.177 -11.977 11.957 422 HG3 GLU 58 HG3 GLU 58 7.056 -13.475 11.654 423 H ALA 59 H ALA 59 6.085 -11.029 15.651 424 HA ALA 59 HA ALA 59 6.647 -8.948 13.843 425 HB1 ALA 59 HB1 ALA 59 6.266 -8.657 16.817 426 HB2 ALA 59 HB2 ALA 59 5.958 -7.451 15.567 427 HB3 ALA 59 HB3 ALA 59 4.943 -8.889 15.673 428 H ILE 60 H ILE 60 8.498 -10.358 16.460 429 HA ILE 60 HA ILE 60 10.411 -8.352 16.818 430 HB ILE 60 HB ILE 60 10.792 -11.338 17.069 431 HG12 ILE 60 HG12 ILE 60 8.964 -10.547 18.469 432 HG13 ILE 60 HG13 ILE 60 10.355 -10.937 19.475 433 HG21 ILE 60 HG21 ILE 60 12.511 -10.422 18.827 434 HG22 ILE 60 HG22 ILE 60 12.949 -10.563 17.125 435 HG23 ILE 60 HG23 ILE 60 12.487 -8.996 17.788 436 HD11 ILE 60 HD11 ILE 60 8.948 -8.434 19.142 437 HD12 ILE 60 HD12 ILE 60 10.068 -8.945 20.404 438 HD13 ILE 60 HD13 ILE 60 10.686 -8.258 18.901 439 H LYS 61 H LYS 61 10.666 -11.303 14.827 440 HA LYS 61 HA LYS 61 13.108 -10.614 13.616 441 HB2 LYS 61 HB2 LYS 61 12.483 -12.331 11.912 442 HB3 LYS 61 HB3 LYS 61 12.359 -12.896 13.573 443 HG2 LYS 61 HG2 LYS 61 9.936 -12.537 13.505 444 HG3 LYS 61 HG3 LYS 61 10.072 -12.002 11.828 445 HD2 LYS 61 HD2 LYS 61 11.171 -14.665 12.617 446 HD3 LYS 61 HD3 LYS 61 9.432 -14.479 12.379 447 HE2 LYS 61 HE2 LYS 61 9.875 -13.572 10.124 448 HE3 LYS 61 HE3 LYS 61 11.597 -13.861 10.371 449 HZ1 LYS 61 HZ1 LYS 61 9.439 -15.780 9.898 450 HZ2 LYS 61 HZ2 LYS 61 10.726 -16.268 10.883 451 HZ3 LYS 61 HZ3 LYS 61 11.020 -15.763 9.296 452 H ASN 62 H ASN 62 9.758 -10.028 12.663 453 HA ASN 62 HA ASN 62 10.340 -8.956 10.107 454 HB2 ASN 62 HB2 ASN 62 8.111 -9.746 10.600 455 HB3 ASN 62 HB3 ASN 62 7.948 -8.593 11.921 456 HD21 ASN 62 HD22 ASN 62 8.300 -8.884 8.435 457 HD22 ASN 62 HD21 ASN 62 7.515 -7.395 8.047 458 H ALA 63 H ALA 63 10.469 -7.657 13.305 459 HA ALA 63 HA ALA 63 10.571 -4.903 12.349 460 HB1 ALA 63 HB1 ALA 63 10.990 -4.560 14.921 461 HB2 ALA 63 HB2 ALA 63 9.374 -4.901 14.300 462 HB3 ALA 63 HB3 ALA 63 10.333 -6.194 15.020 463 HA PRO 64 HA PRO 64 14.940 -4.494 12.318 464 HB2 PRO 64 HB3 PRO 64 15.296 -2.011 13.354 465 HB3 PRO 64 HB2 PRO 64 14.632 -2.292 11.740 466 HG2 PRO 64 HG2 PRO 64 13.200 -1.686 14.298 467 HG3 PRO 64 HG3 PRO 64 12.911 -1.037 12.673 468 HD2 PRO 64 HD2 PRO 64 11.397 -3.010 13.745 469 HD3 PRO 64 HD3 PRO 64 11.727 -2.898 12.004 470 H ARG 65 H ARG 65 16.173 -5.692 13.629 471 HA ARG 65 HA ARG 65 16.012 -5.291 16.526 472 HB2 ARG 65 HB2 ARG 65 16.723 -7.540 14.759 473 HB3 ARG 65 HB3 ARG 65 17.725 -7.382 16.195 474 HG2 ARG 65 HG2 ARG 65 15.360 -7.146 17.364 475 HG3 ARG 65 HG3 ARG 65 14.853 -8.066 15.946 476 HD2 ARG 65 HD2 ARG 65 17.269 -9.157 17.085 477 HD3 ARG 65 HD3 ARG 65 15.988 -9.061 18.293 478 HE ARG 65 HE ARG 65 15.148 -10.205 15.791 479 HH11 ARG 65 HH11 ARG 65 16.579 -10.839 18.901 480 HH12 ARG 65 HH12 ARG 65 16.123 -12.511 18.915 481 HH21 ARG 65 HH22 ARG 65 14.542 -12.404 15.798 482 HH22 ARG 65 HH21 ARG 65 14.965 -13.400 17.150 483 HA PRO 66 HA PRO 66 19.904 -3.303 16.904 484 HB2 PRO 66 HB3 PRO 66 20.939 -4.453 19.134 485 HB3 PRO 66 HB2 PRO 66 19.586 -3.317 19.179 486 HG2 PRO 66 HG2 PRO 66 19.552 -6.308 19.287 487 HG3 PRO 66 HG3 PRO 66 18.617 -5.144 20.243 488 HD2 PRO 66 HD2 PRO 66 17.574 -6.450 18.113 489 HD3 PRO 66 HD3 PRO 66 17.080 -4.804 18.559 Start of MODEL 18 1 H1 VAL 1 H1 VAL 1 -4.438 -6.472 0.463 2 HA VAL 1 HA VAL 1 -2.213 -5.099 1.816 3 HB VAL 1 HB VAL 1 -3.934 -3.291 2.394 4 HG11 VAL 1 HG11 VAL 1 -2.399 -3.707 -0.068 5 HG12 VAL 1 HG12 VAL 1 -3.662 -2.480 -0.191 6 HG13 VAL 1 HG13 VAL 1 -2.412 -2.340 1.046 7 HG21 VAL 1 HG21 VAL 1 -5.285 -4.193 -0.129 8 HG22 VAL 1 HG22 VAL 1 -5.823 -4.751 1.455 9 HG23 VAL 1 HG23 VAL 1 -5.845 -3.030 1.072 10 HA PRO 2 HA PRO 2 -3.707 -6.843 5.557 11 HB2 PRO 2 HB3 PRO 2 -3.110 -4.886 7.342 12 HB3 PRO 2 HB2 PRO 2 -1.880 -5.908 6.589 13 HG2 PRO 2 HG2 PRO 2 -2.732 -3.129 5.872 14 HG3 PRO 2 HG3 PRO 2 -1.097 -3.808 5.970 15 HD2 PRO 2 HD2 PRO 2 -2.398 -3.477 3.619 16 HD3 PRO 2 HD3 PRO 2 -1.249 -4.802 3.896 17 H VAL 3 H VAL 3 -5.672 -7.060 6.425 18 HA VAL 3 HA VAL 3 -7.249 -4.835 7.287 19 HB VAL 3 HB VAL 3 -7.789 -4.652 4.940 20 HG11 VAL 3 HG11 VAL 3 -8.723 -7.516 5.031 21 HG12 VAL 3 HG12 VAL 3 -8.677 -6.446 3.629 22 HG13 VAL 3 HG13 VAL 3 -7.173 -7.002 4.365 23 HG21 VAL 3 HG21 VAL 3 -10.114 -4.621 5.109 24 HG22 VAL 3 HG22 VAL 3 -10.152 -6.049 6.143 25 HG23 VAL 3 HG23 VAL 3 -9.580 -4.510 6.786 26 H GLY 4 H GLY 4 -8.323 -5.500 9.026 27 HA2 GLY 4 HA2 GLY 4 -8.605 -8.359 9.511 28 HA3 GLY 4 HA3 GLY 4 -8.870 -7.072 10.678 29 H SER 5 H SER 5 -10.887 -6.115 10.846 30 HA SER 5 HA SER 5 -13.097 -7.741 10.176 31 HB2 SER 5 HB2 SER 5 -13.315 -6.406 12.122 32 HB3 SER 5 HB3 SER 5 -12.867 -4.935 11.259 33 HG SER 5 HG SER 5 -15.135 -5.104 11.636 34 H ASP 6 H ASP 6 -12.434 -4.395 9.127 35 HA ASP 6 HA ASP 6 -12.785 -4.849 6.392 36 HB2 ASP 6 HB2 ASP 6 -15.197 -5.134 7.605 37 HB3 ASP 6 HB3 ASP 6 -15.216 -3.408 7.251 38 H CYS 7 H CYS 7 -11.029 -3.373 7.918 39 HA CYS 7 HA CYS 7 -11.799 -0.575 7.709 40 HB2 CYS 7 HB2 CYS 7 -10.559 -1.329 9.694 41 HB3 CYS 7 HB3 CYS 7 -9.221 -1.837 8.668 42 H GLU 8 H GLU 8 -11.043 0.849 6.227 43 HA GLU 8 HA GLU 8 -9.130 -0.164 4.230 44 HB2 GLU 8 HB2 GLU 8 -11.319 -0.171 3.215 45 HB3 GLU 8 HB3 GLU 8 -11.625 1.472 3.760 46 HG2 GLU 8 HG2 GLU 8 -9.709 2.208 2.328 47 HG3 GLU 8 HG3 GLU 8 -9.659 0.572 1.673 48 HA PRO 9 HA PRO 9 -6.802 3.448 5.232 49 HB2 PRO 9 HB3 PRO 9 -5.158 3.451 3.072 50 HB3 PRO 9 HB2 PRO 9 -4.985 2.309 4.409 51 HG2 PRO 9 HG2 PRO 9 -6.276 1.915 1.737 52 HG3 PRO 9 HG3 PRO 9 -5.203 0.824 2.633 53 HD2 PRO 9 HD2 PRO 9 -7.893 0.512 2.589 54 HD3 PRO 9 HD3 PRO 9 -6.903 0.068 3.994 55 H LYS 10 H LYS 10 -5.983 5.472 4.022 56 HA LYS 10 HA LYS 10 -7.201 6.410 1.692 57 HB2 LYS 10 HB2 LYS 10 -8.954 6.402 3.944 58 HB3 LYS 10 HB3 LYS 10 -8.569 8.073 3.556 59 HG2 LYS 10 HG2 LYS 10 -9.713 8.029 1.618 60 HG3 LYS 10 HG3 LYS 10 -9.262 6.359 1.264 61 HD2 LYS 10 HD2 LYS 10 -11.460 6.013 1.714 62 HD3 LYS 10 HD3 LYS 10 -10.851 5.928 3.368 63 HE2 LYS 10 HE2 LYS 10 -11.249 8.531 3.286 64 HE3 LYS 10 HE3 LYS 10 -12.382 8.092 2.008 65 HZ1 LYS 10 HZ1 LYS 10 -12.419 6.856 4.703 66 HZ2 LYS 10 HZ2 LYS 10 -13.599 6.737 3.496 67 HZ3 LYS 10 HZ3 LYS 10 -13.348 8.208 4.291 68 H LEU 11 H LEU 11 -5.910 7.158 4.866 69 HA LEU 11 HA LEU 11 -4.006 8.975 3.759 70 HB2 LEU 11 HB2 LEU 11 -6.474 10.072 4.490 71 HB3 LEU 11 HB3 LEU 11 -5.370 10.482 5.800 72 HG LEU 11 HG LEU 11 -5.047 11.181 2.884 73 HD11 LEU 11 HD11 LEU 11 -5.170 13.176 5.079 74 HD12 LEU 11 HD12 LEU 11 -6.673 12.414 4.560 75 HD13 LEU 11 HD13 LEU 11 -5.690 13.305 3.398 76 HD21 LEU 11 HD21 LEU 11 -2.857 11.150 3.359 77 HD22 LEU 11 HD22 LEU 11 -3.135 11.081 5.099 78 HD23 LEU 11 HD23 LEU 11 -3.191 12.631 4.258 79 H CYS 12 H CYS 12 -2.259 8.321 4.816 80 HA CYS 12 HA CYS 12 -2.107 8.536 7.672 81 HB2 CYS 12 HB2 CYS 12 -1.333 6.138 7.959 82 HB3 CYS 12 HB3 CYS 12 -3.059 6.358 7.692 83 H THR 13 H THR 13 0.146 7.580 8.390 84 HA THR 13 HA THR 13 2.122 8.258 6.310 85 HB THR 13 HB THR 13 2.707 8.823 9.188 86 HG1 THR 13 HG1 THR 13 1.286 10.579 7.445 87 HG21 THR 13 HG21 THR 13 4.482 8.999 7.499 88 HG22 THR 13 HG22 THR 13 4.116 10.566 8.221 89 HG23 THR 13 HG23 THR 13 3.514 10.174 6.610 90 H MET 14 H MET 14 4.000 7.062 6.252 91 HA MET 14 HA MET 14 3.870 4.453 7.431 92 HB2 MET 14 HB2 MET 14 5.769 3.925 6.117 93 HB3 MET 14 HB3 MET 14 4.788 5.002 5.133 94 HG2 MET 14 HG2 MET 14 6.670 6.133 4.796 95 HG3 MET 14 HG3 MET 14 6.437 6.748 6.431 96 HE1 MET 14 HE1 MET 14 9.203 6.487 4.729 97 HE2 MET 14 HE2 MET 14 9.160 7.250 6.319 98 HE3 MET 14 HE3 MET 14 10.331 5.974 5.985 99 H ASP 15 H ASP 15 6.009 3.554 8.391 100 HA ASP 15 HA ASP 15 7.773 5.178 9.820 101 HB2 ASP 15 HB2 ASP 15 5.297 5.360 10.966 102 HB3 ASP 15 HB3 ASP 15 6.014 4.040 11.886 103 H LEU 16 H LEU 16 8.412 3.750 12.011 104 HA LEU 16 HA LEU 16 8.734 0.988 11.042 105 HB2 LEU 16 HB2 LEU 16 10.853 2.302 12.679 106 HB3 LEU 16 HB3 LEU 16 10.983 0.953 11.552 107 HG LEU 16 HG LEU 16 10.363 2.904 9.822 108 HD11 LEU 16 HD11 LEU 16 12.230 4.479 11.444 109 HD12 LEU 16 HD12 LEU 16 10.591 4.381 12.086 110 HD13 LEU 16 HD13 LEU 16 10.863 4.995 10.456 111 HD21 LEU 16 HD21 LEU 16 12.747 3.054 9.335 112 HD22 LEU 16 HD22 LEU 16 12.280 1.392 9.695 113 HD23 LEU 16 HD23 LEU 16 13.123 2.353 10.910 114 H VAL 17 H VAL 17 6.688 1.724 12.755 115 HA VAL 17 HA VAL 17 7.595 0.734 15.377 116 HB VAL 17 HB VAL 17 5.093 2.289 14.705 117 HG11 VAL 17 HG11 VAL 17 6.146 1.241 17.328 118 HG12 VAL 17 HG12 VAL 17 4.844 2.424 17.182 119 HG13 VAL 17 HG13 VAL 17 4.638 0.800 16.526 120 HG21 VAL 17 HG21 VAL 17 6.987 3.738 14.576 121 HG22 VAL 17 HG22 VAL 17 6.183 4.048 16.115 122 HG23 VAL 17 HG23 VAL 17 7.660 3.085 16.070 123 HA PRO 18 HA PRO 18 5.284 -2.827 13.643 124 HB2 PRO 18 HB3 PRO 18 6.754 -4.687 14.965 125 HB3 PRO 18 HB2 PRO 18 7.259 -3.981 13.426 126 HG2 PRO 18 HG2 PRO 18 8.125 -3.282 16.205 127 HG3 PRO 18 HG3 PRO 18 9.106 -3.455 14.737 128 HD2 PRO 18 HD2 PRO 18 8.344 -1.043 15.705 129 HD3 PRO 18 HD3 PRO 18 8.553 -1.353 13.969 130 H HIS 19 H HIS 19 3.414 -3.360 14.565 131 HA HIS 19 HA HIS 19 3.346 -3.902 17.449 132 HB2 HIS 19 HB2 HIS 19 1.227 -2.686 17.668 133 HB3 HIS 19 HB3 HIS 19 2.517 -1.615 17.131 134 HD1 HIS 19 HD1 HIS 19 2.439 -0.873 14.595 135 HD2 HIS 19 HD2 HIS 19 -0.922 -2.899 15.958 136 HE1 HIS 19 HE1 HIS 19 0.655 -0.448 12.875 137 H CYS 20 H CYS 20 1.860 -5.450 18.104 138 HA CYS 20 HA CYS 20 0.805 -7.110 15.933 139 HB2 CYS 20 HB2 CYS 20 0.872 -7.907 18.831 140 HB3 CYS 20 HB3 CYS 20 0.882 -8.937 17.403 141 H PHE 21 H PHE 21 -1.314 -7.376 15.586 142 HA PHE 21 HA PHE 21 -3.213 -6.551 17.661 143 HB2 PHE 21 HB2 PHE 21 -2.674 -4.847 15.650 144 HB3 PHE 21 HB3 PHE 21 -3.919 -5.820 14.874 145 HD1 PHE 21 HD1 PHE 21 -6.201 -5.794 15.675 146 HD2 PHE 21 HD2 PHE 21 -3.188 -3.434 17.538 147 HE1 PHE 21 HE1 PHE 21 -7.940 -4.491 16.830 148 HE2 PHE 21 HE2 PHE 21 -4.922 -2.128 18.696 149 HZ PHE 21 HZ PHE 21 -7.301 -2.657 18.343 150 H LEU 22 H LEU 22 -5.430 -7.323 17.232 151 HA LEU 22 HA LEU 22 -5.334 -10.011 16.109 152 HB2 LEU 22 HB2 LEU 22 -6.610 -8.830 18.315 153 HB3 LEU 22 HB3 LEU 22 -7.892 -9.286 17.195 154 HG LEU 22 HG LEU 22 -7.456 -11.017 18.880 155 HD11 LEU 22 HD11 LEU 22 -8.025 -11.398 16.321 156 HD12 LEU 22 HD12 LEU 22 -7.773 -12.743 17.433 157 HD13 LEU 22 HD13 LEU 22 -6.472 -12.232 16.359 158 HD21 LEU 22 HD21 LEU 22 -5.429 -12.020 19.225 159 HD22 LEU 22 HD22 LEU 22 -4.900 -10.389 18.813 160 HD23 LEU 22 HD23 LEU 22 -4.849 -11.665 17.597 161 H ASN 23 H ASN 23 -6.137 -10.506 14.181 162 HA ASN 23 HA ASN 23 -7.996 -8.604 12.913 163 HB2 ASN 23 HB2 ASN 23 -5.969 -10.431 11.603 164 HB3 ASN 23 HB3 ASN 23 -7.098 -9.386 10.744 165 HD21 ASN 23 HD22 ASN 23 -6.368 -7.477 10.166 166 HD22 ASN 23 HD21 ASN 23 -5.024 -6.647 10.865 167 HA PRO 24 HA PRO 24 -10.834 -12.035 13.170 168 HB2 PRO 24 HB3 PRO 24 -12.916 -10.749 11.994 169 HB3 PRO 24 HB2 PRO 24 -12.440 -10.471 13.674 170 HG2 PRO 24 HG2 PRO 24 -11.815 -8.852 11.234 171 HG3 PRO 24 HG3 PRO 24 -12.302 -8.301 12.848 172 HD2 PRO 24 HD2 PRO 24 -9.727 -8.263 12.011 173 HD3 PRO 24 HD3 PRO 24 -10.176 -8.535 13.707 174 H GLU 25 H GLU 25 -9.432 -10.631 10.437 175 HA GLU 25 HA GLU 25 -10.911 -12.227 8.509 176 HB2 GLU 25 HB2 GLU 25 -9.353 -9.848 8.408 177 HB3 GLU 25 HB3 GLU 25 -8.588 -11.032 7.358 178 HG2 GLU 25 HG2 GLU 25 -11.528 -10.632 7.160 179 HG3 GLU 25 HG3 GLU 25 -10.451 -9.422 6.464 180 H LYS 26 H LYS 26 -7.653 -12.049 9.880 181 HA LYS 26 HA LYS 26 -7.178 -14.781 8.889 182 HB2 LYS 26 HB2 LYS 26 -4.731 -14.116 8.766 183 HB3 LYS 26 HB3 LYS 26 -5.783 -13.426 7.537 184 HG2 LYS 26 HG2 LYS 26 -5.928 -11.362 8.948 185 HG3 LYS 26 HG3 LYS 26 -4.679 -12.063 9.981 186 HD2 LYS 26 HD2 LYS 26 -3.071 -11.987 8.276 187 HD3 LYS 26 HD3 LYS 26 -4.289 -11.772 7.017 188 HE2 LYS 26 HE2 LYS 26 -4.709 -9.537 7.682 189 HE3 LYS 26 HE3 LYS 26 -3.805 -9.739 9.182 190 HZ1 LYS 26 HZ1 LYS 26 -2.837 -9.231 6.486 191 HZ2 LYS 26 HZ2 LYS 26 -1.913 -10.297 7.419 192 HZ3 LYS 26 HZ3 LYS 26 -2.211 -8.728 7.975 193 H GLY 27 H GLY 27 -6.120 -12.341 11.262 194 HA2 GLY 27 HA2 GLY 27 -6.541 -13.379 13.616 195 HA3 GLY 27 HA3 GLY 27 -5.312 -14.509 13.068 196 H ILE 28 H ILE 28 -4.177 -13.723 15.006 197 HA ILE 28 HA ILE 28 -3.311 -11.117 15.402 198 HB ILE 28 HB ILE 28 -2.953 -12.722 17.130 199 HG12 ILE 28 HG12 ILE 28 -1.112 -10.888 16.454 200 HG13 ILE 28 HG13 ILE 28 -0.937 -11.939 17.856 201 HG21 ILE 28 HG21 ILE 28 -1.252 -14.183 15.121 202 HG22 ILE 28 HG22 ILE 28 -1.264 -14.552 16.845 203 HG23 ILE 28 HG23 ILE 28 -2.735 -14.744 15.892 204 HD11 ILE 28 HD11 ILE 28 1.050 -11.660 16.258 205 HD12 ILE 28 HD12 ILE 28 0.630 -13.283 16.807 206 HD13 ILE 28 HD13 ILE 28 0.156 -12.746 15.195 207 H VAL 29 H VAL 29 -1.893 -9.823 14.423 208 HA VAL 29 HA VAL 29 0.294 -10.919 12.857 209 HB VAL 29 HB VAL 29 -1.839 -9.184 11.608 210 HG11 VAL 29 HG11 VAL 29 0.993 -9.643 10.893 211 HG12 VAL 29 HG12 VAL 29 -0.177 -9.696 9.573 212 HG13 VAL 29 HG13 VAL 29 -0.047 -8.254 10.580 213 HG21 VAL 29 HG21 VAL 29 -0.827 -11.941 10.915 214 HG22 VAL 29 HG22 VAL 29 -2.386 -11.553 11.643 215 HG23 VAL 29 HG23 VAL 29 -2.026 -11.029 9.998 216 H VAL 30 H VAL 30 2.023 -9.542 12.677 217 HA VAL 30 HA VAL 30 1.766 -6.979 14.105 218 HB VAL 30 HB VAL 30 3.296 -8.553 15.183 219 HG11 VAL 30 HG11 VAL 30 5.375 -8.415 13.135 220 HG12 VAL 30 HG12 VAL 30 4.830 -9.781 14.110 221 HG13 VAL 30 HG13 VAL 30 3.955 -9.338 12.644 222 HG21 VAL 30 HG21 VAL 30 5.328 -6.736 14.198 223 HG22 VAL 30 HG22 VAL 30 3.809 -5.908 14.539 224 HG23 VAL 30 HG23 VAL 30 4.600 -6.853 15.800 225 H VAL 31 H VAL 31 2.472 -5.108 13.185 226 HA VAL 31 HA VAL 31 3.951 -5.166 10.685 227 HB VAL 31 HB VAL 31 2.276 -3.583 9.622 228 HG11 VAL 31 HG11 VAL 31 1.126 -6.323 10.038 229 HG12 VAL 31 HG12 VAL 31 1.123 -5.329 8.579 230 HG13 VAL 31 HG13 VAL 31 2.621 -6.076 9.136 231 HG21 VAL 31 HG21 VAL 31 0.521 -4.706 11.804 232 HG22 VAL 31 HG22 VAL 31 0.976 -3.018 11.577 233 HG23 VAL 31 HG23 VAL 31 -0.063 -3.817 10.397 234 H HIS 32 H HIS 32 5.123 -3.326 10.319 235 HA HIS 32 HA HIS 32 5.049 -1.322 12.463 236 HB2 HIS 32 HB2 HIS 32 7.335 -0.786 11.857 237 HB3 HIS 32 HB3 HIS 32 7.188 -2.525 12.090 238 HD1 HIS 32 HD1 HIS 32 7.140 -3.989 9.865 239 HD2 HIS 32 HD2 HIS 32 8.231 -0.009 9.383 240 HE1 HIS 32 HE1 HIS 32 8.218 -3.857 7.597 241 H GLY 33 H GLY 33 4.986 0.880 12.021 242 HA2 GLY 33 HA2 GLY 33 5.184 2.645 10.291 243 HA3 GLY 33 HA3 GLY 33 4.281 1.570 9.234 244 H GLY 34 H GLY 34 3.763 4.348 10.269 245 HA2 GLY 34 HA2 GLY 34 1.690 4.386 12.132 246 HA3 GLY 34 HA3 GLY 34 1.924 5.582 10.866 247 H CYS 35 H CYS 35 1.491 4.120 8.592 248 HA CYS 35 HA CYS 35 -1.251 4.172 8.291 249 HB2 CYS 35 HB2 CYS 35 0.930 2.780 6.767 250 HB3 CYS 35 HB3 CYS 35 -0.755 2.560 6.308 251 H ALA 36 H ALA 36 0.824 1.429 9.115 252 HA ALA 36 HA ALA 36 -1.185 -0.551 9.051 253 HB1 ALA 36 HB1 ALA 36 1.556 -0.488 9.501 254 HB2 ALA 36 HB2 ALA 36 0.871 -1.105 11.005 255 HB3 ALA 36 HB3 ALA 36 0.519 -1.915 9.478 256 H LEU 37 H LEU 37 -0.163 1.718 11.517 257 HA LEU 37 HA LEU 37 -1.662 0.472 13.626 258 HB2 LEU 37 HB2 LEU 37 0.398 1.883 13.929 259 HB3 LEU 37 HB3 LEU 37 -0.596 3.286 13.538 260 HG LEU 37 HG LEU 37 -2.049 2.594 15.521 261 HD11 LEU 37 HD11 LEU 37 0.244 0.715 15.790 262 HD12 LEU 37 HD12 LEU 37 -1.469 0.462 16.120 263 HD13 LEU 37 HD13 LEU 37 -0.482 1.392 17.248 264 HD21 LEU 37 HD21 LEU 37 0.659 3.799 15.568 265 HD22 LEU 37 HD22 LEU 37 -0.095 3.430 17.119 266 HD23 LEU 37 HD23 LEU 37 -0.906 4.504 15.979 267 H SER 38 H SER 38 -2.056 3.410 11.662 268 HA SER 38 HA SER 38 -4.399 4.381 12.744 269 HB2 SER 38 HB2 SER 38 -2.865 5.251 10.775 270 HB3 SER 38 HB3 SER 38 -4.072 4.447 9.771 271 HG SER 38 HG SER 38 -4.249 6.777 11.177 272 H LYS 39 H LYS 39 -4.086 2.103 10.024 273 HA LYS 39 HA LYS 39 -6.854 1.667 9.702 274 HB2 LYS 39 HB2 LYS 39 -4.483 -0.051 8.952 275 HB3 LYS 39 HB3 LYS 39 -6.136 -0.381 8.450 276 HG2 LYS 39 HG2 LYS 39 -6.218 1.693 7.218 277 HG3 LYS 39 HG3 LYS 39 -4.609 2.131 7.796 278 HD2 LYS 39 HD2 LYS 39 -4.515 -0.471 6.609 279 HD3 LYS 39 HD3 LYS 39 -5.290 0.653 5.490 280 HE2 LYS 39 HE2 LYS 39 -3.294 2.211 6.133 281 HE3 LYS 39 HE3 LYS 39 -2.527 0.702 6.628 282 HZ1 LYS 39 HZ1 LYS 39 -3.077 1.705 3.979 283 HZ2 LYS 39 HZ2 LYS 39 -3.493 0.079 4.197 284 HZ3 LYS 39 HZ3 LYS 39 -1.910 0.595 4.496 285 H TYR 40 H TYR 40 -4.363 -0.235 11.387 286 HA TYR 40 HA TYR 40 -5.996 -2.306 12.280 287 HB2 TYR 40 HB2 TYR 40 -3.426 -1.119 13.246 288 HB3 TYR 40 HB3 TYR 40 -4.244 -2.313 14.247 289 HD1 TYR 40 HD1 TYR 40 -4.543 -2.540 10.624 290 HD2 TYR 40 HD2 TYR 40 -2.324 -3.829 14.018 291 HE1 TYR 40 HE1 TYR 40 -3.547 -4.343 9.280 292 HE2 TYR 40 HE2 TYR 40 -1.321 -5.635 12.683 293 HH TYR 40 HH TYR 40 -2.154 -6.955 10.453 294 H LYS 41 H LYS 41 -5.701 0.960 13.390 295 HA LYS 41 HA LYS 41 -7.027 0.456 15.914 296 HB2 LYS 41 HB2 LYS 41 -5.284 2.211 15.677 297 HB3 LYS 41 HB3 LYS 41 -6.350 3.088 14.587 298 HG2 LYS 41 HG2 LYS 41 -7.892 3.555 16.308 299 HG3 LYS 41 HG3 LYS 41 -7.138 2.390 17.400 300 HD2 LYS 41 HD2 LYS 41 -5.299 4.446 16.440 301 HD3 LYS 41 HD3 LYS 41 -6.658 5.094 17.361 302 HE2 LYS 41 HE2 LYS 41 -6.056 3.978 19.286 303 HE3 LYS 41 HE3 LYS 41 -5.172 2.729 18.411 304 HZ1 LYS 41 HZ1 LYS 41 -4.141 5.007 19.617 305 HZ2 LYS 41 HZ2 LYS 41 -3.971 5.236 17.950 306 HZ3 LYS 41 HZ3 LYS 41 -3.309 3.865 18.687 307 H CYS 42 H CYS 42 -7.876 1.358 12.686 308 HA CYS 42 HA CYS 42 -10.453 2.447 13.377 309 HB2 CYS 42 HB2 CYS 42 -10.127 3.358 11.358 310 HB3 CYS 42 HB3 CYS 42 -8.810 2.243 11.007 311 H GLN 43 H GLN 43 -9.220 -0.588 12.033 312 HA GLN 43 HA GLN 43 -11.667 -1.824 11.505 313 HB2 GLN 43 HB2 GLN 43 -10.326 -3.977 11.877 314 HB3 GLN 43 HB3 GLN 43 -9.770 -2.881 10.619 315 HG2 GLN 43 HG2 GLN 43 -7.778 -2.797 11.562 316 HG3 GLN 43 HG3 GLN 43 -8.492 -2.140 13.033 317 HE21 GLN 43 HE22 GLN 43 -8.787 -5.324 11.517 318 HE22 GLN 43 HE21 GLN 43 -8.199 -6.218 12.873 319 H ASN 44 H ASN 44 -9.704 -1.805 14.458 320 HA ASN 44 HA ASN 44 -12.090 -2.435 16.006 321 HB2 ASN 44 HB2 ASN 44 -9.649 -4.173 15.851 322 HB3 ASN 44 HB3 ASN 44 -10.586 -4.103 17.340 323 HD21 ASN 44 HD22 ASN 44 -13.055 -4.254 16.854 324 HD22 ASN 44 HD21 ASN 44 -13.502 -5.563 15.818 325 HA PRO 45 HA PRO 45 -9.434 0.833 17.910 326 HB2 PRO 45 HB3 PRO 45 -11.514 2.453 18.559 327 HB3 PRO 45 HB2 PRO 45 -10.729 2.484 16.975 328 HG2 PRO 45 HG2 PRO 45 -13.273 1.140 17.803 329 HG3 PRO 45 HG3 PRO 45 -12.925 2.067 16.332 330 HD2 PRO 45 HD2 PRO 45 -12.938 -0.641 16.379 331 HD3 PRO 45 HD3 PRO 45 -11.868 0.290 15.312 332 H ASN 46 H ASN 46 -11.856 -1.310 18.917 333 HA ASN 46 HA ASN 46 -11.662 -0.482 21.722 334 HB2 ASN 46 HB2 ASN 46 -13.538 -1.994 22.124 335 HB3 ASN 46 HB3 ASN 46 -13.921 -0.882 20.813 336 HD21 ASN 46 HD22 ASN 46 -14.300 -1.662 18.800 337 HD22 ASN 46 HD21 ASN 46 -14.355 -3.346 18.416 338 H HIS 47 H HIS 47 -10.485 -2.808 19.510 339 HA HIS 47 HA HIS 47 -10.018 -4.997 21.199 340 HB2 HIS 47 HB2 HIS 47 -9.024 -4.067 18.583 341 HB3 HIS 47 HB3 HIS 47 -7.927 -5.131 19.458 342 HD1 HIS 47 HD1 HIS 47 -11.629 -5.598 19.733 343 HD2 HIS 47 HD2 HIS 47 -8.402 -7.261 17.712 344 HE1 HIS 47 HE1 HIS 47 -12.494 -7.735 18.727 345 H GLU 48 H GLU 48 -7.795 -5.751 21.860 346 HA GLU 48 HA GLU 48 -6.296 -3.496 23.025 347 HB2 GLU 48 HB2 GLU 48 -5.618 -5.191 24.792 348 HB3 GLU 48 HB3 GLU 48 -7.293 -4.658 24.825 349 HG2 GLU 48 HG2 GLU 48 -8.037 -6.725 24.557 350 HG3 GLU 48 HG3 GLU 48 -6.993 -6.988 23.162 351 H LYS 49 H LYS 49 -4.350 -3.229 22.182 352 HA LYS 49 HA LYS 49 -3.134 -5.021 20.396 353 HB2 LYS 49 HB2 LYS 49 -2.756 -2.439 20.897 354 HB3 LYS 49 HB3 LYS 49 -1.457 -3.068 21.902 355 HG2 LYS 49 HG2 LYS 49 -0.354 -4.028 20.059 356 HG3 LYS 49 HG3 LYS 49 -1.765 -3.836 19.016 357 HD2 LYS 49 HD2 LYS 49 -0.558 -2.045 18.298 358 HD3 LYS 49 HD3 LYS 49 -1.392 -1.278 19.652 359 HE2 LYS 49 HE2 LYS 49 1.379 -2.471 19.722 360 HE3 LYS 49 HE3 LYS 49 0.997 -0.752 19.653 361 HZ1 LYS 49 HZ1 LYS 49 0.453 -2.637 21.874 362 HZ2 LYS 49 HZ2 LYS 49 -0.234 -1.093 21.791 363 HZ3 LYS 49 HZ3 LYS 49 1.445 -1.266 21.897 364 H LEU 50 H LEU 50 -1.027 -6.077 20.648 365 HA LEU 50 HA LEU 50 -0.706 -7.187 23.359 366 HB2 LEU 50 HB2 LEU 50 0.219 -8.556 20.860 367 HB3 LEU 50 HB3 LEU 50 -0.103 -9.251 22.447 368 HG LEU 50 HG LEU 50 -2.242 -8.184 20.609 369 HD11 LEU 50 HD11 LEU 50 -1.817 -11.090 21.093 370 HD12 LEU 50 HD12 LEU 50 -0.814 -10.269 19.897 371 HD13 LEU 50 HD13 LEU 50 -2.569 -10.269 19.725 372 HD21 LEU 50 HD21 LEU 50 -2.878 -10.186 22.649 373 HD22 LEU 50 HD22 LEU 50 -3.729 -8.708 22.200 374 HD23 LEU 50 HD23 LEU 50 -2.349 -8.632 23.295 375 H GLY 51 H GLY 51 1.116 -6.679 24.369 376 HA2 GLY 51 HA2 GLY 51 3.281 -5.427 22.884 377 HA3 GLY 51 HA3 GLY 51 3.140 -5.535 24.633 378 H TYR 52 H TYR 52 4.476 -6.889 25.625 379 HA TYR 52 HA TYR 52 6.212 -8.581 24.088 380 HB2 TYR 52 HB2 TYR 52 6.646 -7.240 26.329 381 HB3 TYR 52 HB3 TYR 52 6.092 -8.738 27.068 382 HD1 TYR 52 HD1 TYR 52 7.214 -10.816 25.412 383 HD2 TYR 52 HD2 TYR 52 8.939 -7.110 26.592 384 HE1 TYR 52 HE1 TYR 52 9.459 -11.783 25.144 385 HE2 TYR 52 HE2 TYR 52 11.190 -8.066 26.326 386 HH TYR 52 HH TYR 52 12.349 -9.816 25.405 387 H THR 53 H THR 53 4.058 -9.693 23.351 388 HA THR 53 HA THR 53 3.428 -11.913 25.175 389 HB THR 53 HB THR 53 1.821 -11.597 22.715 390 HG1 THR 53 HG1 THR 53 1.960 -9.430 23.255 391 HG21 THR 53 HG21 THR 53 1.215 -12.080 25.631 392 HG22 THR 53 HG22 THR 53 1.202 -13.266 24.327 393 HG23 THR 53 HG23 THR 53 -0.013 -11.988 24.369 394 H HIS 54 H HIS 54 3.335 -14.059 24.356 395 HA HIS 54 HA HIS 54 5.486 -14.802 22.735 396 HB2 HIS 54 HB2 HIS 54 3.122 -16.197 23.882 397 HB3 HIS 54 HB3 HIS 54 3.985 -17.010 22.579 398 HD1 HIS 54 HD1 HIS 54 5.399 -18.728 23.655 399 HD2 HIS 54 HD2 HIS 54 5.491 -15.130 25.730 400 HE1 HIS 54 HE1 HIS 54 7.064 -19.064 25.509 401 H GLU 55 H GLU 55 2.314 -13.773 21.910 402 HA GLU 55 HA GLU 55 2.240 -14.996 19.312 403 HB2 GLU 55 HB2 GLU 55 0.588 -12.711 20.402 404 HB3 GLU 55 HB3 GLU 55 0.237 -13.646 18.956 405 HG2 GLU 55 HG2 GLU 55 0.482 -15.548 20.955 406 HG3 GLU 55 HG3 GLU 55 -0.377 -14.212 21.720 407 H CYS 56 H CYS 56 3.796 -12.301 20.635 408 HA CYS 56 HA CYS 56 3.872 -10.793 18.149 409 HB2 CYS 56 HB2 CYS 56 4.642 -10.300 20.968 410 HB3 CYS 56 HB3 CYS 56 5.611 -9.487 19.744 411 H GLU 57 H GLU 57 5.290 -13.512 19.001 412 HA GLU 57 HA GLU 57 8.030 -13.225 18.850 413 HB2 GLU 57 HB2 GLU 57 6.129 -15.359 18.539 414 HB3 GLU 57 HB3 GLU 57 7.400 -15.521 17.334 415 HG2 GLU 57 HG2 GLU 57 9.079 -15.384 19.136 416 HG3 GLU 57 HG3 GLU 57 7.769 -15.330 20.315 417 H GLU 58 H GLU 58 5.664 -13.272 16.237 418 HA GLU 58 HA GLU 58 7.511 -13.359 14.101 419 HB2 GLU 58 HB2 GLU 58 4.630 -12.658 14.396 420 HB3 GLU 58 HB3 GLU 58 5.451 -12.155 12.925 421 HG2 GLU 58 HG2 GLU 58 5.736 -14.292 12.182 422 HG3 GLU 58 HG3 GLU 58 5.750 -14.974 13.807 423 H ALA 59 H ALA 59 6.248 -10.757 16.058 424 HA ALA 59 HA ALA 59 6.865 -8.562 14.458 425 HB1 ALA 59 HB1 ALA 59 7.253 -8.431 17.416 426 HB2 ALA 59 HB2 ALA 59 6.524 -7.253 16.325 427 HB3 ALA 59 HB3 ALA 59 5.645 -8.720 16.753 428 H ILE 60 H ILE 60 8.938 -10.702 16.204 429 HA ILE 60 HA ILE 60 11.180 -9.090 16.608 430 HB ILE 60 HB ILE 60 11.129 -12.037 15.947 431 HG12 ILE 60 HG12 ILE 60 9.747 -11.463 17.901 432 HG13 ILE 60 HG13 ILE 60 11.177 -12.375 18.373 433 HG21 ILE 60 HG21 ILE 60 13.347 -11.887 15.939 434 HG22 ILE 60 HG22 ILE 60 13.291 -10.194 16.428 435 HG23 ILE 60 HG23 ILE 60 13.261 -11.465 17.649 436 HD11 ILE 60 HD11 ILE 60 10.300 -9.791 19.233 437 HD12 ILE 60 HD12 ILE 60 11.608 -10.796 19.855 438 HD13 ILE 60 HD13 ILE 60 11.909 -9.681 18.521 439 H LYS 61 H LYS 61 10.353 -11.153 13.830 440 HA LYS 61 HA LYS 61 12.622 -10.178 12.320 441 HB2 LYS 61 HB2 LYS 61 11.784 -11.663 10.540 442 HB3 LYS 61 HB3 LYS 61 11.968 -12.507 12.072 443 HG2 LYS 61 HG2 LYS 61 9.545 -12.272 12.460 444 HG3 LYS 61 HG3 LYS 61 9.390 -11.509 10.876 445 HD2 LYS 61 HD2 LYS 61 10.278 -13.547 9.826 446 HD3 LYS 61 HD3 LYS 61 10.391 -14.307 11.415 447 HE2 LYS 61 HE2 LYS 61 7.848 -13.655 11.544 448 HE3 LYS 61 HE3 LYS 61 7.983 -13.641 9.786 449 HZ1 LYS 61 HZ1 LYS 61 8.426 -15.882 9.713 450 HZ2 LYS 61 HZ2 LYS 61 7.333 -15.811 11.002 451 HZ3 LYS 61 HZ3 LYS 61 8.991 -15.949 11.306 452 H ASN 62 H ASN 62 9.107 -9.821 12.300 453 HA ASN 62 HA ASN 62 8.860 -8.351 9.932 454 HB2 ASN 62 HB2 ASN 62 7.101 -9.327 11.748 455 HB3 ASN 62 HB3 ASN 62 7.044 -7.612 12.146 456 HD21 ASN 62 HD22 ASN 62 6.804 -6.151 10.209 457 HD22 ASN 62 HD21 ASN 62 5.680 -6.653 8.997 458 H ALA 63 H ALA 63 9.722 -7.373 13.187 459 HA ALA 63 HA ALA 63 9.401 -4.622 13.007 460 HB1 ALA 63 HB1 ALA 63 11.534 -4.708 14.589 461 HB2 ALA 63 HB2 ALA 63 9.937 -5.226 15.133 462 HB3 ALA 63 HB3 ALA 63 11.123 -6.423 14.614 463 HA PRO 64 HA PRO 64 12.463 -3.069 10.275 464 HB2 PRO 64 HB3 PRO 64 13.334 -0.846 11.567 465 HB3 PRO 64 HB2 PRO 64 11.739 -0.956 10.813 466 HG2 PRO 64 HG2 PRO 64 12.502 -1.285 13.689 467 HG3 PRO 64 HG3 PRO 64 11.123 -0.417 12.989 468 HD2 PRO 64 HD2 PRO 64 10.895 -2.895 14.058 469 HD3 PRO 64 HD3 PRO 64 9.896 -2.347 12.696 470 H ARG 65 H ARG 65 14.287 -4.208 9.993 471 HA ARG 65 HA ARG 65 16.330 -4.104 12.114 472 HB2 ARG 65 HB2 ARG 65 15.428 -6.304 10.322 473 HB3 ARG 65 HB3 ARG 65 17.137 -6.233 10.729 474 HG2 ARG 65 HG2 ARG 65 16.770 -6.678 12.952 475 HG3 ARG 65 HG3 ARG 65 15.115 -6.065 12.910 476 HD2 ARG 65 HD2 ARG 65 14.315 -8.002 11.838 477 HD3 ARG 65 HD3 ARG 65 15.941 -8.532 11.409 478 HE ARG 65 HE ARG 65 14.576 -8.970 13.896 479 HH11 ARG 65 HH11 ARG 65 17.686 -8.698 12.356 480 HH12 ARG 65 HH12 ARG 65 18.508 -9.640 13.555 481 HH21 ARG 65 HH22 ARG 65 15.647 -10.213 15.481 482 HH22 ARG 65 HH21 ARG 65 17.347 -10.502 15.332 483 HA PRO 66 HA PRO 66 18.151 -1.772 8.620 484 HB2 PRO 66 HB3 PRO 66 19.663 -0.173 10.210 485 HB3 PRO 66 HB2 PRO 66 17.965 0.160 9.849 486 HG2 PRO 66 HG2 PRO 66 19.172 -1.112 12.275 487 HG3 PRO 66 HG3 PRO 66 17.882 0.101 12.172 488 HD2 PRO 66 HD2 PRO 66 17.381 -2.530 12.573 489 HD3 PRO 66 HD3 PRO 66 16.272 -1.472 11.678 Start of MODEL 19 1 H1 VAL 1 H1 VAL 1 -9.263 -8.600 0.848 2 HA VAL 1 HA VAL 1 -6.533 -7.493 0.880 3 HB VAL 1 HB VAL 1 -7.871 -6.129 -0.625 4 HG11 VAL 1 HG11 VAL 1 -10.004 -5.566 -0.276 5 HG12 VAL 1 HG12 VAL 1 -9.975 -6.740 1.042 6 HG13 VAL 1 HG13 VAL 1 -9.681 -5.032 1.374 7 HG21 VAL 1 HG21 VAL 1 -7.303 -4.829 2.036 8 HG22 VAL 1 HG22 VAL 1 -6.213 -4.961 0.656 9 HG23 VAL 1 HG23 VAL 1 -7.650 -3.943 0.551 10 HA PRO 2 HA PRO 2 -7.078 -7.664 5.266 11 HB2 PRO 2 HB3 PRO 2 -4.914 -6.170 5.943 12 HB3 PRO 2 HB2 PRO 2 -4.790 -7.841 5.379 13 HG2 PRO 2 HG2 PRO 2 -4.387 -5.293 3.860 14 HG3 PRO 2 HG3 PRO 2 -3.427 -6.783 3.820 15 HD2 PRO 2 HD2 PRO 2 -5.251 -6.174 1.914 16 HD3 PRO 2 HD3 PRO 2 -4.902 -7.845 2.402 17 H VAL 3 H VAL 3 -7.594 -6.294 7.036 18 HA VAL 3 HA VAL 3 -8.977 -4.621 7.830 19 HB VAL 3 HB VAL 3 -6.893 -3.748 8.515 20 HG11 VAL 3 HG11 VAL 3 -5.425 -2.438 7.033 21 HG12 VAL 3 HG12 VAL 3 -5.635 -4.099 6.474 22 HG13 VAL 3 HG13 VAL 3 -6.506 -2.784 5.684 23 HG21 VAL 3 HG21 VAL 3 -9.003 -2.115 7.983 24 HG22 VAL 3 HG22 VAL 3 -7.558 -1.633 8.871 25 HG23 VAL 3 HG23 VAL 3 -7.694 -1.279 7.149 26 H GLY 4 H GLY 4 -10.738 -4.746 6.376 27 HA2 GLY 4 HA2 GLY 4 -10.899 -2.417 4.591 28 HA3 GLY 4 HA3 GLY 4 -11.299 -4.004 3.950 29 H SER 5 H SER 5 -12.746 -5.162 5.911 30 HA SER 5 HA SER 5 -15.189 -3.589 5.827 31 HB2 SER 5 HB2 SER 5 -14.753 -6.238 5.453 32 HB3 SER 5 HB3 SER 5 -15.208 -6.234 7.157 33 HG SER 5 HG SER 5 -17.167 -6.161 6.402 34 H ASP 6 H ASP 6 -12.749 -4.517 8.081 35 HA ASP 6 HA ASP 6 -14.372 -3.910 10.410 36 HB2 ASP 6 HB2 ASP 6 -12.213 -5.559 10.012 37 HB3 ASP 6 HB3 ASP 6 -11.475 -4.170 10.804 38 H CYS 7 H CYS 7 -12.258 -2.284 8.260 39 HA CYS 7 HA CYS 7 -12.656 0.204 9.657 40 HB2 CYS 7 HB2 CYS 7 -10.718 -0.531 10.874 41 HB3 CYS 7 HB3 CYS 7 -9.892 -0.985 9.388 42 H GLU 8 H GLU 8 -12.492 1.964 8.321 43 HA GLU 8 HA GLU 8 -11.959 1.359 5.495 44 HB2 GLU 8 HB2 GLU 8 -14.226 2.182 6.053 45 HB3 GLU 8 HB3 GLU 8 -13.516 3.657 6.692 46 HG2 GLU 8 HG2 GLU 8 -13.925 4.463 4.649 47 HG3 GLU 8 HG3 GLU 8 -12.440 3.619 4.214 48 HA PRO 9 HA PRO 9 -8.268 3.830 6.426 49 HB2 PRO 9 HB3 PRO 9 -6.870 2.925 4.282 50 HB3 PRO 9 HB2 PRO 9 -6.997 2.023 5.797 51 HG2 PRO 9 HG2 PRO 9 -8.526 1.669 3.248 52 HG3 PRO 9 HG3 PRO 9 -7.821 0.436 4.310 53 HD2 PRO 9 HD2 PRO 9 -10.456 1.057 4.348 54 HD3 PRO 9 HD3 PRO 9 -9.578 0.534 5.799 55 H LYS 10 H LYS 10 -8.233 5.909 5.878 56 HA LYS 10 HA LYS 10 -8.183 6.747 3.138 57 HB2 LYS 10 HB2 LYS 10 -10.704 6.466 4.120 58 HB3 LYS 10 HB3 LYS 10 -10.365 8.136 4.556 59 HG2 LYS 10 HG2 LYS 10 -11.431 8.167 2.444 60 HG3 LYS 10 HG3 LYS 10 -9.726 8.534 2.166 61 HD2 LYS 10 HD2 LYS 10 -9.437 6.048 1.692 62 HD3 LYS 10 HD3 LYS 10 -11.199 5.966 1.628 63 HE2 LYS 10 HE2 LYS 10 -11.118 7.786 -0.101 64 HE3 LYS 10 HE3 LYS 10 -9.366 7.591 -0.127 65 HZ1 LYS 10 HZ1 LYS 10 -9.557 5.828 -1.436 66 HZ2 LYS 10 HZ2 LYS 10 -11.206 6.172 -1.597 67 HZ3 LYS 10 HZ3 LYS 10 -10.680 5.087 -0.410 68 H LEU 11 H LEU 11 -6.665 6.936 5.695 69 HA LEU 11 HA LEU 11 -5.623 9.504 5.397 70 HB2 LEU 11 HB2 LEU 11 -8.027 9.513 6.838 71 HB3 LEU 11 HB3 LEU 11 -6.749 9.702 8.037 72 HG LEU 11 HG LEU 11 -6.645 11.450 5.640 73 HD11 LEU 11 HD11 LEU 11 -8.917 11.342 7.467 74 HD12 LEU 11 HD12 LEU 11 -8.750 12.146 5.907 75 HD13 LEU 11 HD13 LEU 11 -8.159 12.932 7.370 76 HD21 LEU 11 HD21 LEU 11 -4.907 11.590 7.314 77 HD22 LEU 11 HD22 LEU 11 -6.107 11.833 8.583 78 HD23 LEU 11 HD23 LEU 11 -5.876 13.064 7.340 79 H CYS 12 H CYS 12 -3.605 8.812 5.741 80 HA CYS 12 HA CYS 12 -2.783 8.128 8.400 81 HB2 CYS 12 HB2 CYS 12 -1.778 5.946 7.820 82 HB3 CYS 12 HB3 CYS 12 -3.534 5.924 7.685 83 H THR 13 H THR 13 -0.373 7.694 8.459 84 HA THR 13 HA THR 13 0.985 9.143 6.281 85 HB THR 13 HB THR 13 2.418 9.433 8.754 86 HG1 THR 13 HG1 THR 13 0.923 10.232 10.070 87 HG21 THR 13 HG21 THR 13 2.593 11.642 8.086 88 HG22 THR 13 HG22 THR 13 0.989 11.659 7.355 89 HG23 THR 13 HG23 THR 13 2.319 10.827 6.547 90 H MET 14 H MET 14 2.995 8.410 5.664 91 HA MET 14 HA MET 14 3.562 5.675 6.095 92 HB2 MET 14 HB2 MET 14 5.527 7.694 5.027 93 HB3 MET 14 HB3 MET 14 5.422 5.979 4.654 94 HG2 MET 14 HG2 MET 14 3.218 6.429 3.575 95 HG3 MET 14 HG3 MET 14 3.523 8.149 3.807 96 HE1 MET 14 HE1 MET 14 4.181 5.630 0.520 97 HE2 MET 14 HE2 MET 14 2.854 6.223 1.520 98 HE3 MET 14 HE3 MET 14 3.498 7.229 0.222 99 H ASP 15 H ASP 15 5.609 4.803 6.928 100 HA ASP 15 HA ASP 15 7.370 6.219 8.569 101 HB2 ASP 15 HB2 ASP 15 4.852 5.827 9.796 102 HB3 ASP 15 HB3 ASP 15 5.970 4.709 10.572 103 H LEU 16 H LEU 16 8.410 4.589 10.262 104 HA LEU 16 HA LEU 16 8.586 1.952 8.964 105 HB2 LEU 16 HB2 LEU 16 10.859 3.553 10.130 106 HB3 LEU 16 HB3 LEU 16 10.983 1.931 9.451 107 HG LEU 16 HG LEU 16 10.039 4.240 7.783 108 HD11 LEU 16 HD11 LEU 16 12.141 4.976 7.326 109 HD12 LEU 16 HD12 LEU 16 12.888 3.421 7.690 110 HD13 LEU 16 HD13 LEU 16 12.380 4.484 9.002 111 HD21 LEU 16 HD21 LEU 16 9.889 2.646 6.249 112 HD22 LEU 16 HD22 LEU 16 10.506 1.450 7.388 113 HD23 LEU 16 HD23 LEU 16 11.627 2.374 6.387 114 H VAL 17 H VAL 17 6.868 2.277 11.027 115 HA VAL 17 HA VAL 17 8.286 1.228 13.385 116 HB VAL 17 HB VAL 17 5.486 2.352 13.284 117 HG11 VAL 17 HG11 VAL 17 6.620 0.721 15.162 118 HG12 VAL 17 HG12 VAL 17 6.947 2.328 15.815 119 HG13 VAL 17 HG13 VAL 17 5.290 1.842 15.455 120 HG21 VAL 17 HG21 VAL 17 7.998 3.710 13.225 121 HG22 VAL 17 HG22 VAL 17 6.370 4.388 13.266 122 HG23 VAL 17 HG23 VAL 17 7.210 4.019 14.772 123 HA PRO 18 HA PRO 18 6.219 -2.501 11.697 124 HB2 PRO 18 HB3 PRO 18 8.103 -4.218 12.630 125 HB3 PRO 18 HB2 PRO 18 8.271 -3.347 11.102 126 HG2 PRO 18 HG2 PRO 18 9.452 -2.719 13.780 127 HG3 PRO 18 HG3 PRO 18 10.212 -2.654 12.179 128 HD2 PRO 18 HD2 PRO 18 9.300 -0.444 13.449 129 HD3 PRO 18 HD3 PRO 18 9.281 -0.605 11.681 130 H HIS 19 H HIS 19 4.502 -3.018 12.908 131 HA HIS 19 HA HIS 19 4.975 -4.035 15.619 132 HB2 HIS 19 HB2 HIS 19 3.310 -1.731 14.834 133 HB3 HIS 19 HB3 HIS 19 2.527 -2.879 15.916 134 HD1 HIS 19 HD1 HIS 19 6.170 -1.850 16.016 135 HD2 HIS 19 HD2 HIS 19 2.695 -1.499 18.266 136 HE1 HIS 19 HE1 HIS 19 6.880 -0.806 18.191 137 H CYS 20 H CYS 20 3.234 -5.413 16.420 138 HA CYS 20 HA CYS 20 1.996 -6.901 14.217 139 HB2 CYS 20 HB2 CYS 20 3.382 -8.282 15.601 140 HB3 CYS 20 HB3 CYS 20 2.633 -7.663 17.069 141 H PHE 21 H PHE 21 -0.175 -7.273 14.102 142 HA PHE 21 HA PHE 21 -1.909 -6.370 16.259 143 HB2 PHE 21 HB2 PHE 21 -1.418 -4.792 13.924 144 HB3 PHE 21 HB3 PHE 21 -3.082 -5.366 13.876 145 HD1 PHE 21 HD1 PHE 21 -4.459 -5.049 16.054 146 HD2 PHE 21 HD2 PHE 21 -0.896 -2.906 15.142 147 HE1 PHE 21 HE1 PHE 21 -5.112 -3.293 17.648 148 HE2 PHE 21 HE2 PHE 21 -1.543 -1.146 16.735 149 HZ PHE 21 HZ PHE 21 -3.653 -1.338 17.991 150 H LEU 22 H LEU 22 -4.181 -6.990 15.904 151 HA LEU 22 HA LEU 22 -4.301 -9.572 14.547 152 HB2 LEU 22 HB2 LEU 22 -5.356 -8.541 16.948 153 HB3 LEU 22 HB3 LEU 22 -6.729 -8.875 15.896 154 HG LEU 22 HG LEU 22 -6.162 -10.736 17.435 155 HD11 LEU 22 HD11 LEU 22 -6.832 -10.823 14.739 156 HD12 LEU 22 HD12 LEU 22 -7.038 -12.110 15.927 157 HD13 LEU 22 HD13 LEU 22 -5.583 -12.053 14.933 158 HD21 LEU 22 HD21 LEU 22 -3.679 -10.318 17.310 159 HD22 LEU 22 HD22 LEU 22 -3.708 -11.111 15.735 160 HD23 LEU 22 HD23 LEU 22 -4.178 -12.005 17.181 161 H ASN 23 H ASN 23 -5.304 -9.856 12.669 162 HA ASN 23 HA ASN 23 -7.134 -7.744 11.735 163 HB2 ASN 23 HB2 ASN 23 -5.050 -7.880 10.423 164 HB3 ASN 23 HB3 ASN 23 -5.386 -9.574 10.075 165 HD21 ASN 23 HD22 ASN 23 -5.030 -8.293 7.911 166 HD22 ASN 23 HD21 ASN 23 -6.494 -7.833 7.116 167 HA PRO 24 HA PRO 24 -10.154 -11.020 11.962 168 HB2 PRO 24 HB3 PRO 24 -12.246 -9.511 11.117 169 HB3 PRO 24 HB2 PRO 24 -11.602 -9.425 12.761 170 HG2 PRO 24 HG2 PRO 24 -11.098 -7.613 10.431 171 HG3 PRO 24 HG3 PRO 24 -11.398 -7.196 12.128 172 HD2 PRO 24 HD2 PRO 24 -8.913 -7.222 11.052 173 HD3 PRO 24 HD3 PRO 24 -9.222 -7.632 12.752 174 H GLU 25 H GLU 25 -8.935 -9.421 9.242 175 HA GLU 25 HA GLU 25 -10.691 -10.673 7.314 176 HB2 GLU 25 HB2 GLU 25 -8.243 -8.935 7.083 177 HB3 GLU 25 HB3 GLU 25 -8.970 -9.700 5.678 178 HG2 GLU 25 HG2 GLU 25 -10.772 -8.157 7.440 179 HG3 GLU 25 HG3 GLU 25 -9.602 -7.245 6.488 180 H LYS 26 H LYS 26 -7.321 -11.000 8.368 181 HA LYS 26 HA LYS 26 -7.287 -13.673 7.129 182 HB2 LYS 26 HB2 LYS 26 -4.794 -13.296 6.839 183 HB3 LYS 26 HB3 LYS 26 -5.845 -12.373 5.773 184 HG2 LYS 26 HG2 LYS 26 -5.611 -10.447 7.350 185 HG3 LYS 26 HG3 LYS 26 -4.391 -11.385 8.214 186 HD2 LYS 26 HD2 LYS 26 -3.296 -9.890 6.672 187 HD3 LYS 26 HD3 LYS 26 -3.093 -11.551 6.109 188 HE2 LYS 26 HE2 LYS 26 -4.715 -11.272 4.413 189 HE3 LYS 26 HE3 LYS 26 -5.294 -9.761 5.111 190 HZ1 LYS 26 HZ1 LYS 26 -3.890 -9.434 3.139 191 HZ2 LYS 26 HZ2 LYS 26 -2.590 -10.153 3.949 192 HZ3 LYS 26 HZ3 LYS 26 -3.240 -8.699 4.517 193 H GLY 27 H GLY 27 -5.745 -11.611 9.592 194 HA2 GLY 27 HA2 GLY 27 -6.130 -12.899 11.862 195 HA3 GLY 27 HA3 GLY 27 -4.984 -13.995 11.105 196 H ILE 28 H ILE 28 -3.603 -13.547 12.933 197 HA ILE 28 HA ILE 28 -2.638 -11.017 13.618 198 HB ILE 28 HB ILE 28 -2.216 -12.829 15.105 199 HG12 ILE 28 HG12 ILE 28 -0.346 -11.000 14.500 200 HG13 ILE 28 HG13 ILE 28 -0.114 -12.219 15.748 201 HG21 ILE 28 HG21 ILE 28 -2.194 -14.695 13.631 202 HG22 ILE 28 HG22 ILE 28 -0.760 -14.098 12.796 203 HG23 ILE 28 HG23 ILE 28 -0.637 -14.672 14.459 204 HD11 ILE 28 HD11 ILE 28 1.290 -13.493 14.412 205 HD12 ILE 28 HD12 ILE 28 0.730 -12.728 12.925 206 HD13 ILE 28 HD13 ILE 28 1.758 -11.833 14.045 207 H VAL 29 H VAL 29 -1.212 -9.664 12.723 208 HA VAL 29 HA VAL 29 0.780 -10.628 10.842 209 HB VAL 29 HB VAL 29 -1.290 -8.585 10.023 210 HG11 VAL 29 HG11 VAL 29 0.679 -7.792 9.077 211 HG12 VAL 29 HG12 VAL 29 1.319 -9.414 8.807 212 HG13 VAL 29 HG13 VAL 29 0.003 -8.805 7.802 213 HG21 VAL 29 HG21 VAL 29 -0.675 -11.341 8.960 214 HG22 VAL 29 HG22 VAL 29 -2.119 -10.856 9.849 215 HG23 VAL 29 HG23 VAL 29 -1.813 -10.203 8.239 216 H VAL 30 H VAL 30 2.558 -9.301 10.675 217 HA VAL 30 HA VAL 30 2.503 -6.832 12.285 218 HB VAL 30 HB VAL 30 3.734 -8.448 13.554 219 HG11 VAL 30 HG11 VAL 30 4.670 -10.172 12.508 220 HG12 VAL 30 HG12 VAL 30 4.598 -9.338 10.954 221 HG13 VAL 30 HG13 VAL 30 5.980 -9.095 12.023 222 HG21 VAL 30 HG21 VAL 30 5.305 -6.960 14.084 223 HG22 VAL 30 HG22 VAL 30 6.133 -7.189 12.544 224 HG23 VAL 30 HG23 VAL 30 4.802 -6.039 12.668 225 H VAL 31 H VAL 31 3.111 -5.056 11.239 226 HA VAL 31 HA VAL 31 5.080 -5.186 9.106 227 HB VAL 31 HB VAL 31 3.558 -3.772 7.619 228 HG11 VAL 31 HG11 VAL 31 4.202 -6.254 7.383 229 HG12 VAL 31 HG12 VAL 31 2.554 -6.579 7.925 230 HG13 VAL 31 HG13 VAL 31 2.832 -5.651 6.451 231 HG21 VAL 31 HG21 VAL 31 1.267 -3.737 7.948 232 HG22 VAL 31 HG22 VAL 31 1.299 -5.126 9.035 233 HG23 VAL 31 HG23 VAL 31 1.881 -3.558 9.592 234 H HIS 32 H HIS 32 5.706 -2.999 8.349 235 HA HIS 32 HA HIS 32 5.531 -1.086 10.572 236 HB2 HIS 32 HB2 HIS 32 7.568 -0.059 9.450 237 HB3 HIS 32 HB3 HIS 32 7.799 -1.654 10.161 238 HD1 HIS 32 HD1 HIS 32 7.821 0.159 6.921 239 HD2 HIS 32 HD2 HIS 32 8.171 -3.748 8.290 240 HE1 HIS 32 HE1 HIS 32 8.697 -1.161 4.969 241 H GLY 33 H GLY 33 5.184 1.135 10.161 242 HA2 GLY 33 HA2 GLY 33 4.893 2.849 8.359 243 HA3 GLY 33 HA3 GLY 33 3.876 1.657 7.563 244 H GLY 34 H GLY 34 3.667 4.448 9.102 245 HA2 GLY 34 HA2 GLY 34 1.882 4.230 11.192 246 HA3 GLY 34 HA3 GLY 34 1.906 5.573 10.059 247 H CYS 35 H CYS 35 1.277 3.787 7.783 248 HA CYS 35 HA CYS 35 -1.556 4.004 7.918 249 HB2 CYS 35 HB2 CYS 35 0.235 3.916 5.879 250 HB3 CYS 35 HB3 CYS 35 -0.399 2.275 5.820 251 H ALA 36 H ALA 36 0.680 1.246 7.922 252 HA ALA 36 HA ALA 36 -1.282 -0.770 8.034 253 HB1 ALA 36 HB1 ALA 36 1.607 -0.595 8.290 254 HB2 ALA 36 HB2 ALA 36 0.905 -1.829 9.338 255 HB3 ALA 36 HB3 ALA 36 0.606 -1.873 7.600 256 H LEU 37 H LEU 37 0.334 1.101 10.542 257 HA LEU 37 HA LEU 37 -0.778 -0.431 12.702 258 HB2 LEU 37 HB2 LEU 37 1.387 0.901 12.729 259 HB3 LEU 37 HB3 LEU 37 0.379 2.338 12.878 260 HG LEU 37 HG LEU 37 -0.518 1.461 14.999 261 HD11 LEU 37 HD11 LEU 37 -0.405 -0.789 15.132 262 HD12 LEU 37 HD12 LEU 37 1.143 -0.441 15.901 263 HD13 LEU 37 HD13 LEU 37 1.087 -0.881 14.194 264 HD21 LEU 37 HD21 LEU 37 2.485 1.671 14.815 265 HD22 LEU 37 HD22 LEU 37 1.561 1.740 16.316 266 HD23 LEU 37 HD23 LEU 37 1.342 2.987 15.088 267 H SER 38 H SER 38 -1.460 2.702 11.196 268 HA SER 38 HA SER 38 -3.498 3.507 12.953 269 HB2 SER 38 HB2 SER 38 -2.905 4.208 10.078 270 HB3 SER 38 HB3 SER 38 -4.238 4.940 10.971 271 HG SER 38 HG SER 38 -2.184 6.109 11.007 272 H LYS 39 H LYS 39 -3.541 1.507 10.060 273 HA LYS 39 HA LYS 39 -6.346 1.380 9.749 274 HB2 LYS 39 HB2 LYS 39 -4.042 -0.281 8.800 275 HB3 LYS 39 HB3 LYS 39 -5.683 -0.871 8.574 276 HG2 LYS 39 HG2 LYS 39 -6.139 1.410 7.490 277 HG3 LYS 39 HG3 LYS 39 -4.382 1.556 7.402 278 HD2 LYS 39 HD2 LYS 39 -4.508 -0.809 6.323 279 HD3 LYS 39 HD3 LYS 39 -6.196 -0.386 6.027 280 HE2 LYS 39 HE2 LYS 39 -5.381 0.501 4.126 281 HE3 LYS 39 HE3 LYS 39 -4.959 1.860 5.168 282 HZ1 LYS 39 HZ1 LYS 39 -3.163 0.880 3.653 283 HZ2 LYS 39 HZ2 LYS 39 -3.080 -0.380 4.779 284 HZ3 LYS 39 HZ3 LYS 39 -2.753 1.207 5.261 285 H TYR 40 H TYR 40 -4.061 -0.913 11.241 286 HA TYR 40 HA TYR 40 -6.095 -2.650 12.200 287 HB2 TYR 40 HB2 TYR 40 -3.208 -2.347 13.049 288 HB3 TYR 40 HB3 TYR 40 -4.267 -3.662 13.547 289 HD1 TYR 40 HD2 TYR 40 -5.672 -4.130 10.928 290 HD2 TYR 40 HD1 TYR 40 -1.561 -3.514 11.838 291 HE1 TYR 40 HE2 TYR 40 -5.042 -5.401 8.918 292 HE2 TYR 40 HE1 TYR 40 -0.921 -4.782 9.830 293 HH TYR 40 HH TYR 40 -2.790 -6.807 8.260 294 H LYS 41 H LYS 41 -4.727 0.286 13.363 295 HA LYS 41 HA LYS 41 -5.504 -0.107 16.112 296 HB2 LYS 41 HB2 LYS 41 -3.568 1.276 15.610 297 HB3 LYS 41 HB3 LYS 41 -4.555 2.351 14.629 298 HG2 LYS 41 HG2 LYS 41 -5.789 3.055 16.590 299 HG3 LYS 41 HG3 LYS 41 -4.880 1.923 17.593 300 HD2 LYS 41 HD2 LYS 41 -2.832 3.122 17.174 301 HD3 LYS 41 HD3 LYS 41 -3.646 4.184 16.022 302 HE2 LYS 41 HE2 LYS 41 -5.137 4.906 17.921 303 HE3 LYS 41 HE3 LYS 41 -4.058 4.025 19.001 304 HZ1 LYS 41 HZ1 LYS 41 -2.227 5.424 18.200 305 HZ2 LYS 41 HZ2 LYS 41 -3.447 6.334 18.938 306 HZ3 LYS 41 HZ3 LYS 41 -3.316 6.306 17.252 307 H CYS 42 H CYS 42 -6.919 1.179 13.228 308 HA CYS 42 HA CYS 42 -8.959 2.704 14.561 309 HB2 CYS 42 HB2 CYS 42 -8.809 3.620 12.503 310 HB3 CYS 42 HB3 CYS 42 -8.155 2.148 11.793 311 H GLN 43 H GLN 43 -8.836 -0.407 12.852 312 HA GLN 43 HA GLN 43 -11.552 -1.061 13.156 313 HB2 GLN 43 HB2 GLN 43 -10.634 -3.470 12.912 314 HB3 GLN 43 HB3 GLN 43 -10.432 -2.349 11.573 315 HG2 GLN 43 HG2 GLN 43 -8.219 -2.470 11.676 316 HG3 GLN 43 HG3 GLN 43 -8.208 -2.243 13.424 317 HE21 GLN 43 HE22 GLN 43 -7.962 -4.468 10.847 318 HE22 GLN 43 HE21 GLN 43 -7.727 -5.893 11.795 319 H ASN 44 H ASN 44 -8.729 -1.760 15.177 320 HA ASN 44 HA ASN 44 -10.538 -2.279 17.417 321 HB2 ASN 44 HB2 ASN 44 -8.339 -4.131 16.488 322 HB3 ASN 44 HB3 ASN 44 -9.045 -4.211 18.100 323 HD21 ASN 44 HD22 ASN 44 -9.036 -6.031 15.693 324 HD22 ASN 44 HD21 ASN 44 -10.700 -6.441 15.468 325 HA PRO 45 HA PRO 45 -7.077 0.588 18.516 326 HB2 PRO 45 HB3 PRO 45 -8.653 2.318 19.892 327 HB3 PRO 45 HB2 PRO 45 -8.415 2.418 18.144 328 HG2 PRO 45 HG2 PRO 45 -10.693 1.229 19.680 329 HG3 PRO 45 HG3 PRO 45 -10.733 2.247 18.229 330 HD2 PRO 45 HD2 PRO 45 -11.025 -0.444 18.131 331 HD3 PRO 45 HD3 PRO 45 -10.256 0.481 16.825 332 H ASN 46 H ASN 46 -9.265 -1.425 20.136 333 HA ASN 46 HA ASN 46 -7.902 -0.975 22.709 334 HB2 ASN 46 HB2 ASN 46 -9.880 -2.013 23.768 335 HB3 ASN 46 HB3 ASN 46 -10.302 -0.568 22.855 336 HD21 ASN 46 HD22 ASN 46 -11.095 -3.724 23.451 337 HD22 ASN 46 HD21 ASN 46 -12.089 -4.025 22.071 338 H HIS 47 H HIS 47 -7.176 -2.686 20.314 339 HA HIS 47 HA HIS 47 -7.308 -5.365 21.467 340 HB2 HIS 47 HB2 HIS 47 -7.178 -4.313 18.812 341 HB3 HIS 47 HB3 HIS 47 -5.776 -5.347 19.073 342 HD1 HIS 47 HD1 HIS 47 -6.185 -7.709 18.507 343 HD2 HIS 47 HD2 HIS 47 -9.674 -5.789 19.691 344 HE1 HIS 47 HE1 HIS 47 -8.007 -9.427 18.283 345 H GLU 48 H GLU 48 -5.273 -6.697 21.357 346 HA GLU 48 HA GLU 48 -3.222 -5.363 22.841 347 HB2 GLU 48 HB2 GLU 48 -4.094 -7.975 22.616 348 HB3 GLU 48 HB3 GLU 48 -2.534 -8.008 21.806 349 HG2 GLU 48 HG2 GLU 48 -1.469 -7.080 23.785 350 HG3 GLU 48 HG3 GLU 48 -3.030 -6.999 24.598 351 H LYS 49 H LYS 49 -2.054 -3.913 21.703 352 HA LYS 49 HA LYS 49 -1.084 -4.559 19.042 353 HB2 LYS 49 HB2 LYS 49 -1.884 -2.306 19.410 354 HB3 LYS 49 HB3 LYS 49 -0.781 -2.094 20.763 355 HG2 LYS 49 HG2 LYS 49 1.122 -2.249 19.244 356 HG3 LYS 49 HG3 LYS 49 0.019 -2.471 17.884 357 HD2 LYS 49 HD2 LYS 49 0.291 -0.229 17.697 358 HD3 LYS 49 HD3 LYS 49 -0.997 -0.212 18.904 359 HE2 LYS 49 HE2 LYS 49 1.727 -0.450 19.984 360 HE3 LYS 49 HE3 LYS 49 1.379 1.072 19.167 361 HZ1 LYS 49 HZ1 LYS 49 -0.278 -0.090 21.339 362 HZ2 LYS 49 HZ2 LYS 49 -0.490 1.422 20.609 363 HZ3 LYS 49 HZ3 LYS 49 0.879 1.125 21.558 364 H LEU 50 H LEU 50 0.590 -5.931 18.996 365 HA LEU 50 HA LEU 50 2.656 -6.817 19.332 366 HB2 LEU 50 HB2 LEU 50 3.152 -4.319 18.875 367 HB3 LEU 50 HB3 LEU 50 3.504 -4.240 20.600 368 HG LEU 50 HG LEU 50 4.914 -6.420 19.301 369 HD11 LEU 50 HD11 LEU 50 6.506 -4.939 18.093 370 HD12 LEU 50 HD12 LEU 50 5.353 -3.619 18.284 371 HD13 LEU 50 HD13 LEU 50 4.913 -5.045 17.343 372 HD21 LEU 50 HD21 LEU 50 6.440 -4.205 20.429 373 HD22 LEU 50 HD22 LEU 50 6.424 -5.913 20.867 374 HD23 LEU 50 HD23 LEU 50 5.196 -4.826 21.515 375 H GLY 51 H GLY 51 4.380 -7.233 21.078 376 HA2 GLY 51 HA2 GLY 51 4.540 -6.916 23.636 377 HA3 GLY 51 HA3 GLY 51 2.943 -7.648 23.611 378 H TYR 52 H TYR 52 4.805 -8.868 25.099 379 HA TYR 52 HA TYR 52 6.239 -10.874 23.628 380 HB2 TYR 52 HB2 TYR 52 5.814 -10.247 26.521 381 HB3 TYR 52 HB3 TYR 52 6.419 -11.839 26.075 382 HD1 TYR 52 HD1 TYR 52 7.107 -8.207 25.627 383 HD2 TYR 52 HD2 TYR 52 8.695 -12.153 25.670 384 HE1 TYR 52 HE1 TYR 52 9.382 -7.286 25.460 385 HE2 TYR 52 HE2 TYR 52 10.974 -11.244 25.504 386 HH TYR 52 HH TYR 52 11.561 -7.848 24.933 387 H THR 53 H THR 53 3.948 -11.294 22.579 388 HA THR 53 HA THR 53 2.660 -13.484 24.072 389 HB THR 53 HB THR 53 1.066 -11.726 23.658 390 HG1 THR 53 HG1 THR 53 0.184 -13.766 23.383 391 HG21 THR 53 HG21 THR 53 1.396 -10.372 21.913 392 HG22 THR 53 HG22 THR 53 0.708 -11.637 20.897 393 HG23 THR 53 HG23 THR 53 2.454 -11.541 21.124 394 H HIS 54 H HIS 54 2.171 -15.409 22.994 395 HA HIS 54 HA HIS 54 4.049 -16.313 21.129 396 HB2 HIS 54 HB2 HIS 54 1.504 -17.375 22.251 397 HB3 HIS 54 HB3 HIS 54 2.136 -18.146 20.799 398 HD1 HIS 54 HD1 HIS 54 2.032 -19.061 24.010 399 HD2 HIS 54 HD2 HIS 54 5.303 -18.231 21.586 400 HE1 HIS 54 HE1 HIS 54 3.972 -20.265 25.064 401 H GLU 55 H GLU 55 1.097 -14.599 20.698 402 HA GLU 55 HA GLU 55 0.688 -15.381 17.961 403 HB2 GLU 55 HB2 GLU 55 -0.498 -13.048 19.473 404 HB3 GLU 55 HB3 GLU 55 -1.077 -13.705 17.949 405 HG2 GLU 55 HG2 GLU 55 -1.059 -15.884 19.651 406 HG3 GLU 55 HG3 GLU 55 -1.618 -14.553 20.661 407 H CYS 56 H CYS 56 2.344 -12.825 19.660 408 HA CYS 56 HA CYS 56 3.206 -11.722 17.066 409 HB2 CYS 56 HB2 CYS 56 2.753 -10.220 19.654 410 HB3 CYS 56 HB3 CYS 56 3.415 -9.522 18.180 411 H GLU 57 H GLU 57 4.482 -13.840 18.485 412 HA GLU 57 HA GLU 57 6.686 -12.846 19.994 413 HB2 GLU 57 HB2 GLU 57 5.880 -15.128 20.296 414 HB3 GLU 57 HB3 GLU 57 6.279 -15.511 18.627 415 HG2 GLU 57 HG2 GLU 57 8.632 -14.513 19.782 416 HG3 GLU 57 HG3 GLU 57 7.930 -15.621 20.960 417 H GLU 58 H GLU 58 6.258 -13.881 16.635 418 HA GLU 58 HA GLU 58 8.965 -13.593 15.873 419 HB2 GLU 58 HB2 GLU 58 6.496 -13.397 14.140 420 HB3 GLU 58 HB3 GLU 58 8.137 -13.679 13.576 421 HG2 GLU 58 HG2 GLU 58 8.201 -15.816 14.676 422 HG3 GLU 58 HG3 GLU 58 6.622 -15.527 15.404 423 H ALA 59 H ALA 59 6.353 -11.340 16.238 424 HA ALA 59 HA ALA 59 7.230 -9.252 14.600 425 HB1 ALA 59 HB1 ALA 59 5.016 -9.437 15.792 426 HB2 ALA 59 HB2 ALA 59 5.846 -8.880 17.246 427 HB3 ALA 59 HB3 ALA 59 5.771 -7.842 15.822 428 H ILE 60 H ILE 60 8.396 -10.378 17.666 429 HA ILE 60 HA ILE 60 9.697 -8.082 18.595 430 HB ILE 60 HB ILE 60 10.543 -10.960 18.949 431 HG12 ILE 60 HG12 ILE 60 8.920 -9.228 20.819 432 HG13 ILE 60 HG13 ILE 60 8.197 -10.351 19.672 433 HG21 ILE 60 HG21 ILE 60 11.799 -8.529 19.726 434 HG22 ILE 60 HG22 ILE 60 11.208 -9.343 21.173 435 HG23 ILE 60 HG23 ILE 60 12.294 -10.186 20.069 436 HD11 ILE 60 HD11 ILE 60 9.687 -10.886 22.177 437 HD12 ILE 60 HD12 ILE 60 8.235 -11.651 21.533 438 HD13 ILE 60 HD13 ILE 60 9.815 -12.056 20.863 439 H LYS 61 H LYS 61 10.957 -10.752 16.605 440 HA LYS 61 HA LYS 61 13.497 -9.494 16.214 441 HB2 LYS 61 HB2 LYS 61 13.858 -11.313 14.554 442 HB3 LYS 61 HB3 LYS 61 13.368 -11.899 16.138 443 HG2 LYS 61 HG2 LYS 61 11.131 -12.290 15.364 444 HG3 LYS 61 HG3 LYS 61 11.494 -11.538 13.809 445 HD2 LYS 61 HD2 LYS 61 13.059 -13.904 14.780 446 HD3 LYS 61 HD3 LYS 61 11.502 -14.116 13.977 447 HE2 LYS 61 HE2 LYS 61 13.333 -12.290 12.600 448 HE3 LYS 61 HE3 LYS 61 13.917 -13.950 12.714 449 HZ1 LYS 61 HZ1 LYS 61 11.173 -13.375 11.793 450 HZ2 LYS 61 HZ2 LYS 61 12.120 -14.749 11.517 451 HZ3 LYS 61 HZ3 LYS 61 12.478 -13.302 10.719 452 H ASN 62 H ASN 62 10.473 -9.643 14.445 453 HA ASN 62 HA ASN 62 11.369 -8.660 11.975 454 HB2 ASN 62 HB2 ASN 62 8.973 -9.528 12.939 455 HB3 ASN 62 HB3 ASN 62 8.678 -7.795 12.821 456 HD21 ASN 62 HD22 ASN 62 9.324 -10.720 11.087 457 HD22 ASN 62 HD21 ASN 62 8.986 -10.104 9.509 458 H ALA 63 H ALA 63 10.444 -7.030 14.947 459 HA ALA 63 HA ALA 63 10.793 -4.411 13.698 460 HB1 ALA 63 HB1 ALA 63 8.954 -4.220 15.028 461 HB2 ALA 63 HB2 ALA 63 9.546 -5.390 16.207 462 HB3 ALA 63 HB3 ALA 63 10.193 -3.750 16.192 463 HA PRO 64 HA PRO 64 14.817 -3.636 15.265 464 HB2 PRO 64 HB3 PRO 64 14.662 -1.030 16.010 465 HB3 PRO 64 HB2 PRO 64 14.679 -1.546 14.320 466 HG2 PRO 64 HG2 PRO 64 12.355 -0.777 16.042 467 HG3 PRO 64 HG3 PRO 64 12.690 -0.343 14.356 468 HD2 PRO 64 HD2 PRO 64 10.949 -2.301 15.037 469 HD3 PRO 64 HD3 PRO 64 11.918 -2.360 13.551 470 H ARG 65 H ARG 65 15.628 -4.419 17.098 471 HA ARG 65 HA ARG 65 14.308 -4.607 19.531 472 HB2 ARG 65 HB2 ARG 65 17.188 -4.791 18.728 473 HB3 ARG 65 HB3 ARG 65 16.759 -4.827 20.433 474 HG2 ARG 65 HG2 ARG 65 15.643 -6.706 18.365 475 HG3 ARG 65 HG3 ARG 65 17.020 -7.067 19.407 476 HD2 ARG 65 HD2 ARG 65 15.574 -6.710 21.379 477 HD3 ARG 65 HD3 ARG 65 14.206 -6.450 20.298 478 HE ARG 65 HE ARG 65 14.077 -8.716 19.963 479 HH11 ARG 65 HH11 ARG 65 17.107 -7.942 21.492 480 HH12 ARG 65 HH12 ARG 65 17.524 -9.595 21.799 481 HH21 ARG 65 HH22 ARG 65 14.614 -10.897 20.362 482 HH22 ARG 65 HH21 ARG 65 16.105 -11.275 21.155 483 HA PRO 66 HA PRO 66 14.666 -0.733 21.558 484 HB2 PRO 66 HB3 PRO 66 15.147 -1.471 24.126 485 HB3 PRO 66 HB2 PRO 66 13.575 -1.680 23.345 486 HG2 PRO 66 HG2 PRO 66 15.755 -3.684 23.782 487 HG3 PRO 66 HG3 PRO 66 14.004 -3.873 23.987 488 HD2 PRO 66 HD2 PRO 66 15.320 -4.772 21.798 489 HD3 PRO 66 HD3 PRO 66 13.646 -4.183 21.731 Start of MODEL 20 1 H1 VAL 1 H1 VAL 1 -5.997 -8.259 1.092 2 HA VAL 1 HA VAL 1 -3.423 -8.027 2.496 3 HB VAL 1 HB VAL 1 -3.693 -5.495 2.197 4 HG11 VAL 1 HG11 VAL 1 -3.043 -7.117 -0.260 5 HG12 VAL 1 HG12 VAL 1 -2.439 -5.509 0.143 6 HG13 VAL 1 HG13 VAL 1 -1.959 -6.901 1.114 7 HG21 VAL 1 HG21 VAL 1 -6.068 -5.999 1.159 8 HG22 VAL 1 HG22 VAL 1 -5.098 -4.630 0.614 9 HG23 VAL 1 HG23 VAL 1 -5.132 -6.119 -0.331 10 HA PRO 2 HA PRO 2 -5.766 -7.220 6.119 11 HB2 PRO 2 HB3 PRO 2 -4.143 -5.491 7.440 12 HB3 PRO 2 HB2 PRO 2 -3.776 -7.211 7.267 13 HG2 PRO 2 HG2 PRO 2 -2.731 -4.884 5.699 14 HG3 PRO 2 HG3 PRO 2 -1.856 -6.291 6.332 15 HD2 PRO 2 HD2 PRO 2 -2.623 -6.096 3.742 16 HD3 PRO 2 HD3 PRO 2 -2.531 -7.649 4.596 17 H VAL 3 H VAL 3 -6.838 -5.527 7.383 18 HA VAL 3 HA VAL 3 -8.105 -3.648 7.603 19 HB VAL 3 HB VAL 3 -6.193 -2.365 5.649 20 HG11 VAL 3 HG11 VAL 3 -6.981 -0.439 7.402 21 HG12 VAL 3 HG12 VAL 3 -7.707 -0.715 5.817 22 HG13 VAL 3 HG13 VAL 3 -8.447 -1.408 7.261 23 HG21 VAL 3 HG21 VAL 3 -5.144 -1.489 7.811 24 HG22 VAL 3 HG22 VAL 3 -6.005 -2.804 8.613 25 HG23 VAL 3 HG23 VAL 3 -4.811 -3.163 7.366 26 H GLY 4 H GLY 4 -9.846 -2.589 6.603 27 HA2 GLY 4 HA2 GLY 4 -10.943 -1.873 4.535 28 HA3 GLY 4 HA3 GLY 4 -10.281 -3.311 3.772 29 H SER 5 H SER 5 -10.967 -4.743 6.412 30 HA SER 5 HA SER 5 -13.668 -5.462 5.578 31 HB2 SER 5 HB2 SER 5 -11.937 -7.228 5.954 32 HB3 SER 5 HB3 SER 5 -11.916 -6.786 7.661 33 HG SER 5 HG SER 5 -14.369 -7.392 6.455 34 H ASP 6 H ASP 6 -11.934 -4.167 8.349 35 HA ASP 6 HA ASP 6 -14.522 -3.690 9.678 36 HB2 ASP 6 HB2 ASP 6 -11.843 -4.453 10.736 37 HB3 ASP 6 HB3 ASP 6 -12.839 -3.385 11.721 38 H CYS 7 H CYS 7 -11.714 -2.279 8.320 39 HA CYS 7 HA CYS 7 -12.691 0.378 9.084 40 HB2 CYS 7 HB2 CYS 7 -10.836 -0.140 10.603 41 HB3 CYS 7 HB3 CYS 7 -9.797 -0.494 9.226 42 H GLU 8 H GLU 8 -12.323 2.003 7.572 43 HA GLU 8 HA GLU 8 -11.642 1.018 4.899 44 HB2 GLU 8 HB2 GLU 8 -12.704 3.151 4.127 45 HB3 GLU 8 HB3 GLU 8 -13.787 2.075 4.999 46 HG2 GLU 8 HG2 GLU 8 -14.204 3.605 6.546 47 HG3 GLU 8 HG3 GLU 8 -12.488 3.932 6.786 48 HA PRO 9 HA PRO 9 -7.726 3.141 5.603 49 HB2 PRO 9 HB3 PRO 9 -6.490 2.030 3.456 50 HB3 PRO 9 HB2 PRO 9 -6.685 1.185 4.996 51 HG2 PRO 9 HG2 PRO 9 -8.302 0.949 2.487 52 HG3 PRO 9 HG3 PRO 9 -7.719 -0.331 3.567 53 HD2 PRO 9 HD2 PRO 9 -10.264 0.590 3.641 54 HD3 PRO 9 HD3 PRO 9 -9.418 0.003 5.087 55 H LYS 10 H LYS 10 -7.870 5.247 5.088 56 HA LYS 10 HA LYS 10 -7.362 6.117 2.438 57 HB2 LYS 10 HB2 LYS 10 -10.011 5.581 2.812 58 HB3 LYS 10 HB3 LYS 10 -9.941 7.281 3.258 59 HG2 LYS 10 HG2 LYS 10 -8.465 7.107 0.908 60 HG3 LYS 10 HG3 LYS 10 -9.859 6.055 0.651 61 HD2 LYS 10 HD2 LYS 10 -10.417 8.674 1.896 62 HD3 LYS 10 HD3 LYS 10 -9.894 8.711 0.211 63 HE2 LYS 10 HE2 LYS 10 -12.091 6.896 1.166 64 HE3 LYS 10 HE3 LYS 10 -12.403 8.556 0.662 65 HZ1 LYS 10 HZ1 LYS 10 -12.378 6.425 -0.983 66 HZ2 LYS 10 HZ2 LYS 10 -10.816 7.037 -1.204 67 HZ3 LYS 10 HZ3 LYS 10 -12.159 8.027 -1.481 68 H LEU 11 H LEU 11 -6.427 6.446 5.200 69 HA LEU 11 HA LEU 11 -5.696 9.134 5.132 70 HB2 LEU 11 HB2 LEU 11 -6.986 9.817 7.250 71 HB3 LEU 11 HB3 LEU 11 -7.809 9.883 5.692 72 HG LEU 11 HG LEU 11 -8.240 7.326 6.941 73 HD11 LEU 11 HD11 LEU 11 -9.636 8.170 8.818 74 HD12 LEU 11 HD12 LEU 11 -8.919 9.763 8.576 75 HD13 LEU 11 HD13 LEU 11 -7.903 8.403 9.052 76 HD21 LEU 11 HD21 LEU 11 -9.937 9.618 6.000 77 HD22 LEU 11 HD22 LEU 11 -10.636 8.182 6.750 78 HD23 LEU 11 HD23 LEU 11 -9.708 8.034 5.257 79 H CYS 12 H CYS 12 -3.702 8.310 5.670 80 HA CYS 12 HA CYS 12 -3.197 7.949 8.468 81 HB2 CYS 12 HB2 CYS 12 -2.224 5.716 8.335 82 HB3 CYS 12 HB3 CYS 12 -3.918 5.670 7.855 83 H THR 13 H THR 13 -0.733 7.136 8.643 84 HA THR 13 HA THR 13 0.805 8.646 6.633 85 HB THR 13 HB THR 13 2.092 8.586 9.235 86 HG1 THR 13 HG1 THR 13 0.604 10.031 10.237 87 HG21 THR 13 HG21 THR 13 1.158 10.924 7.573 88 HG22 THR 13 HG22 THR 13 2.653 10.040 7.275 89 HG23 THR 13 HG23 THR 13 2.435 10.918 8.789 90 H MET 14 H MET 14 2.776 7.813 6.017 91 HA MET 14 HA MET 14 3.185 5.003 6.628 92 HB2 MET 14 HB2 MET 14 4.644 4.947 4.756 93 HB3 MET 14 HB3 MET 14 3.281 5.954 4.286 94 HG2 MET 14 HG2 MET 14 4.873 7.347 3.564 95 HG3 MET 14 HG3 MET 14 4.956 7.828 5.257 96 HE1 MET 14 HE1 MET 14 6.731 8.264 6.218 97 HE2 MET 14 HE2 MET 14 8.223 7.335 6.361 98 HE3 MET 14 HE3 MET 14 8.035 8.505 5.055 99 H ASP 15 H ASP 15 5.291 4.159 7.199 100 HA ASP 15 HA ASP 15 7.467 5.709 8.016 101 HB2 ASP 15 HB2 ASP 15 5.287 5.728 9.883 102 HB3 ASP 15 HB3 ASP 15 6.653 4.874 10.595 103 H LEU 16 H LEU 16 8.821 4.390 9.746 104 HA LEU 16 HA LEU 16 8.762 1.601 8.825 105 HB2 LEU 16 HB2 LEU 16 11.136 1.562 9.616 106 HB3 LEU 16 HB3 LEU 16 10.810 2.638 8.259 107 HG LEU 16 HG LEU 16 10.738 3.857 10.954 108 HD11 LEU 16 HD11 LEU 16 13.252 4.114 10.843 109 HD12 LEU 16 HD12 LEU 16 13.243 2.778 9.693 110 HD13 LEU 16 HD13 LEU 16 12.649 2.531 11.335 111 HD21 LEU 16 HD21 LEU 16 11.321 5.755 9.832 112 HD22 LEU 16 HD22 LEU 16 10.526 4.878 8.525 113 HD23 LEU 16 HD23 LEU 16 12.286 4.888 8.636 114 H VAL 17 H VAL 17 6.918 1.984 10.699 115 HA VAL 17 HA VAL 17 8.140 1.052 13.214 116 HB VAL 17 HB VAL 17 5.458 2.384 12.808 117 HG11 VAL 17 HG11 VAL 17 5.650 2.488 15.391 118 HG12 VAL 17 HG12 VAL 17 5.115 0.989 14.627 119 HG13 VAL 17 HG13 VAL 17 6.779 1.148 15.191 120 HG21 VAL 17 HG21 VAL 17 7.325 3.710 14.576 121 HG22 VAL 17 HG22 VAL 17 7.984 3.530 12.950 122 HG23 VAL 17 HG23 VAL 17 6.440 4.347 13.189 123 HA PRO 18 HA PRO 18 5.973 -2.637 11.517 124 HB2 PRO 18 HB3 PRO 18 7.784 -4.409 12.493 125 HB3 PRO 18 HB2 PRO 18 7.995 -3.571 10.951 126 HG2 PRO 18 HG2 PRO 18 9.183 -2.943 13.626 127 HG3 PRO 18 HG3 PRO 18 9.954 -2.934 12.029 128 HD2 PRO 18 HD2 PRO 18 9.120 -0.669 13.256 129 HD3 PRO 18 HD3 PRO 18 9.106 -0.860 11.491 130 H HIS 19 H HIS 19 4.208 -2.853 12.788 131 HA HIS 19 HA HIS 19 4.633 -3.883 15.513 132 HB2 HIS 19 HB2 HIS 19 2.940 -1.625 14.588 133 HB3 HIS 19 HB3 HIS 19 2.249 -2.683 15.815 134 HD1 HIS 19 HD1 HIS 19 2.540 -0.113 16.979 135 HD2 HIS 19 HD2 HIS 19 5.869 -2.574 16.630 136 HE1 HIS 19 HE1 HIS 19 4.201 0.762 18.653 137 H CYS 20 H CYS 20 2.824 -5.167 16.348 138 HA CYS 20 HA CYS 20 1.628 -6.756 14.194 139 HB2 CYS 20 HB2 CYS 20 3.043 -7.819 16.025 140 HB3 CYS 20 HB3 CYS 20 1.717 -7.462 17.127 141 H PHE 21 H PHE 21 -0.574 -7.341 14.229 142 HA PHE 21 HA PHE 21 -2.339 -6.068 16.145 143 HB2 PHE 21 HB2 PHE 21 -3.704 -5.198 14.068 144 HB3 PHE 21 HB3 PHE 21 -2.393 -4.235 14.741 145 HD1 PHE 21 HD1 PHE 21 -0.252 -4.064 13.579 146 HD2 PHE 21 HD2 PHE 21 -3.530 -6.200 11.903 147 HE1 PHE 21 HE1 PHE 21 0.853 -4.028 11.381 148 HE2 PHE 21 HE2 PHE 21 -2.430 -6.169 9.703 149 HZ PHE 21 HZ PHE 21 -0.235 -5.083 9.439 150 H LEU 22 H LEU 22 -4.605 -6.743 15.854 151 HA LEU 22 HA LEU 22 -4.703 -9.515 14.971 152 HB2 LEU 22 HB2 LEU 22 -5.788 -8.140 17.116 153 HB3 LEU 22 HB3 LEU 22 -7.166 -8.425 16.055 154 HG LEU 22 HG LEU 22 -5.324 -10.594 17.055 155 HD11 LEU 22 HD11 LEU 22 -6.489 -10.747 18.942 156 HD12 LEU 22 HD12 LEU 22 -8.027 -10.600 18.094 157 HD13 LEU 22 HD13 LEU 22 -7.139 -9.152 18.566 158 HD21 LEU 22 HD21 LEU 22 -6.321 -11.457 15.166 159 HD22 LEU 22 HD22 LEU 22 -7.798 -10.519 15.385 160 HD23 LEU 22 HD23 LEU 22 -7.480 -11.915 16.415 161 H ASN 23 H ASN 23 -5.472 -10.074 13.052 162 HA ASN 23 HA ASN 23 -7.317 -8.227 11.686 163 HB2 ASN 23 HB2 ASN 23 -4.868 -9.456 10.810 164 HB3 ASN 23 HB3 ASN 23 -6.199 -10.000 9.793 165 HD21 ASN 23 HD22 ASN 23 -4.007 -7.534 10.424 166 HD22 ASN 23 HD21 ASN 23 -4.670 -6.331 9.376 167 HA PRO 24 HA PRO 24 -10.139 -11.662 12.273 168 HB2 PRO 24 HB3 PRO 24 -12.318 -10.342 11.336 169 HB3 PRO 24 HB2 PRO 24 -11.678 -10.103 12.966 170 HG2 PRO 24 HG2 PRO 24 -11.285 -8.433 10.513 171 HG3 PRO 24 HG3 PRO 24 -11.608 -7.916 12.178 172 HD2 PRO 24 HD2 PRO 24 -9.127 -7.870 11.093 173 HD3 PRO 24 HD3 PRO 24 -9.409 -8.177 12.818 174 H GLU 25 H GLU 25 -9.030 -10.179 9.438 175 HA GLU 25 HA GLU 25 -10.541 -12.041 7.736 176 HB2 GLU 25 HB2 GLU 25 -10.712 -9.627 7.177 177 HB3 GLU 25 HB3 GLU 25 -8.974 -9.590 6.918 178 HG2 GLU 25 HG2 GLU 25 -9.115 -10.572 4.905 179 HG3 GLU 25 HG3 GLU 25 -10.420 -11.648 5.403 180 H LYS 26 H LYS 26 -7.468 -11.386 9.046 181 HA LYS 26 HA LYS 26 -6.266 -13.394 7.258 182 HB2 LYS 26 HB2 LYS 26 -4.452 -11.422 8.509 183 HB3 LYS 26 HB3 LYS 26 -4.392 -12.152 6.910 184 HG2 LYS 26 HG2 LYS 26 -6.261 -9.943 7.745 185 HG3 LYS 26 HG3 LYS 26 -4.771 -9.733 6.822 186 HD2 LYS 26 HD2 LYS 26 -6.575 -11.734 5.691 187 HD3 LYS 26 HD3 LYS 26 -7.271 -10.113 5.756 188 HE2 LYS 26 HE2 LYS 26 -5.063 -9.334 4.716 189 HE3 LYS 26 HE3 LYS 26 -4.779 -11.036 4.355 190 HZ1 LYS 26 HZ1 LYS 26 -6.076 -9.358 2.733 191 HZ2 LYS 26 HZ2 LYS 26 -7.380 -10.027 3.579 192 HZ3 LYS 26 HZ3 LYS 26 -6.313 -11.033 2.737 193 H GLY 27 H GLY 27 -5.362 -11.707 10.273 194 HA2 GLY 27 HA2 GLY 27 -5.528 -12.951 12.392 195 HA3 GLY 27 HA3 GLY 27 -4.989 -14.368 11.504 196 H ILE 28 H ILE 28 -3.990 -12.317 13.744 197 HA ILE 28 HA ILE 28 -1.989 -11.324 14.338 198 HB ILE 28 HB ILE 28 -1.639 -13.539 15.133 199 HG12 ILE 28 HG12 ILE 28 0.830 -12.870 13.526 200 HG13 ILE 28 HG13 ILE 28 0.354 -11.992 14.975 201 HG21 ILE 28 HG21 ILE 28 -0.816 -14.268 12.325 202 HG22 ILE 28 HG22 ILE 28 -0.738 -15.336 13.725 203 HG23 ILE 28 HG23 ILE 28 -2.299 -14.762 13.140 204 HD11 ILE 28 HD11 ILE 28 2.091 -13.879 15.162 205 HD12 ILE 28 HD12 ILE 28 0.801 -13.786 16.361 206 HD13 ILE 28 HD13 ILE 28 0.701 -14.957 15.045 207 H VAL 29 H VAL 29 -1.796 -9.704 12.734 208 HA VAL 29 HA VAL 29 0.184 -10.329 10.640 209 HB VAL 29 HB VAL 29 -2.050 -8.298 10.508 210 HG11 VAL 29 HG11 VAL 29 -1.283 -7.958 8.181 211 HG12 VAL 29 HG12 VAL 29 -0.091 -7.454 9.380 212 HG13 VAL 29 HG13 VAL 29 0.112 -8.981 8.520 213 HG21 VAL 29 HG21 VAL 29 -2.998 -10.429 10.159 214 HG22 VAL 29 HG22 VAL 29 -2.742 -9.759 8.549 215 HG23 VAL 29 HG23 VAL 29 -1.629 -10.968 9.188 216 H VAL 30 H VAL 30 1.975 -9.100 10.554 217 HA VAL 30 HA VAL 30 2.063 -6.655 12.194 218 HB VAL 30 HB VAL 30 3.222 -8.425 13.410 219 HG11 VAL 30 HG11 VAL 30 4.617 -9.917 12.490 220 HG12 VAL 30 HG12 VAL 30 3.928 -9.389 10.953 221 HG13 VAL 30 HG13 VAL 30 5.444 -8.693 11.527 222 HG21 VAL 30 HG21 VAL 30 4.439 -5.975 12.494 223 HG22 VAL 30 HG22 VAL 30 4.480 -6.721 14.092 224 HG23 VAL 30 HG23 VAL 30 5.664 -7.187 12.870 225 H VAL 31 H VAL 31 2.740 -4.918 11.125 226 HA VAL 31 HA VAL 31 4.673 -5.159 8.968 227 HB VAL 31 HB VAL 31 3.355 -3.995 7.322 228 HG11 VAL 31 HG11 VAL 31 1.685 -5.687 6.813 229 HG12 VAL 31 HG12 VAL 31 3.163 -6.442 7.411 230 HG13 VAL 31 HG13 VAL 31 1.761 -6.285 8.470 231 HG21 VAL 31 HG21 VAL 31 1.834 -2.564 8.144 232 HG22 VAL 31 HG22 VAL 31 0.749 -3.954 8.124 233 HG23 VAL 31 HG23 VAL 31 1.591 -3.514 9.610 234 H HIS 32 H HIS 32 5.437 -3.034 8.213 235 HA HIS 32 HA HIS 32 5.505 -1.149 10.444 236 HB2 HIS 32 HB2 HIS 32 7.488 -0.247 9.454 237 HB3 HIS 32 HB3 HIS 32 7.625 -2.002 9.384 238 HD1 HIS 32 HD1 HIS 32 7.242 1.017 7.221 239 HD2 HIS 32 HD2 HIS 32 7.585 -3.103 6.805 240 HE1 HIS 32 HE1 HIS 32 7.677 0.622 4.776 241 H GLY 33 H GLY 33 5.132 1.085 10.177 242 HA2 GLY 33 HA2 GLY 33 4.614 2.901 8.560 243 HA3 GLY 33 HA3 GLY 33 3.540 1.751 7.777 244 H GLY 34 H GLY 34 3.348 4.441 9.392 245 HA2 GLY 34 HA2 GLY 34 1.840 4.105 11.678 246 HA3 GLY 34 HA3 GLY 34 1.656 5.457 10.570 247 H CYS 35 H CYS 35 0.880 3.600 8.370 248 HA CYS 35 HA CYS 35 -1.880 3.808 8.568 249 HB2 CYS 35 HB2 CYS 35 -0.075 2.988 6.628 250 HB3 CYS 35 HB3 CYS 35 -1.045 1.548 6.925 251 H ALA 36 H ALA 36 0.204 1.016 9.236 252 HA ALA 36 HA ALA 36 -1.872 -0.789 9.862 253 HB1 ALA 36 HB1 ALA 36 0.651 -1.215 11.285 254 HB2 ALA 36 HB2 ALA 36 -0.219 -2.271 10.172 255 HB3 ALA 36 HB3 ALA 36 0.826 -0.996 9.544 256 H LEU 37 H LEU 37 -0.233 1.669 11.716 257 HA LEU 37 HA LEU 37 -1.176 0.738 14.266 258 HB2 LEU 37 HB2 LEU 37 0.914 2.107 13.837 259 HB3 LEU 37 HB3 LEU 37 -0.155 3.490 13.611 260 HG LEU 37 HG LEU 37 -0.918 3.304 15.913 261 HD11 LEU 37 HD11 LEU 37 0.827 1.615 17.187 262 HD12 LEU 37 HD12 LEU 37 0.409 0.717 15.729 263 HD13 LEU 37 HD13 LEU 37 -0.863 1.267 16.820 264 HD21 LEU 37 HD21 LEU 37 1.976 3.151 16.369 265 HD22 LEU 37 HD22 LEU 37 0.837 4.453 16.710 266 HD23 LEU 37 HD23 LEU 37 1.487 4.255 15.082 267 H SER 38 H SER 38 -2.094 3.284 11.985 268 HA SER 38 HA SER 38 -4.191 4.321 13.620 269 HB2 SER 38 HB2 SER 38 -3.164 4.794 10.882 270 HB3 SER 38 HB3 SER 38 -4.863 5.183 11.146 271 HG SER 38 HG SER 38 -3.594 6.978 11.627 272 H LYS 39 H LYS 39 -4.175 2.320 10.674 273 HA LYS 39 HA LYS 39 -6.914 1.907 10.462 274 HB2 LYS 39 HB2 LYS 39 -4.606 0.112 9.703 275 HB3 LYS 39 HB3 LYS 39 -6.276 -0.214 9.256 276 HG2 LYS 39 HG2 LYS 39 -4.678 2.213 8.464 277 HG3 LYS 39 HG3 LYS 39 -5.061 0.834 7.431 278 HD2 LYS 39 HD2 LYS 39 -6.985 1.793 6.867 279 HD3 LYS 39 HD3 LYS 39 -7.488 1.783 8.559 280 HE2 LYS 39 HE2 LYS 39 -7.589 4.036 7.698 281 HE3 LYS 39 HE3 LYS 39 -6.295 3.919 8.890 282 HZ1 LYS 39 HZ1 LYS 39 -4.671 3.979 7.234 283 HZ2 LYS 39 HZ2 LYS 39 -5.792 5.149 6.748 284 HZ3 LYS 39 HZ3 LYS 39 -5.770 3.635 5.994 285 H TYR 40 H TYR 40 -4.512 -0.214 12.028 286 HA TYR 40 HA TYR 40 -6.226 -2.149 12.996 287 HB2 TYR 40 HB2 TYR 40 -3.873 -2.499 13.169 288 HB3 TYR 40 HB3 TYR 40 -3.661 -1.053 14.149 289 HD1 TYR 40 HD2 TYR 40 -6.098 -3.861 14.460 290 HD2 TYR 40 HD1 TYR 40 -2.837 -1.755 16.200 291 HE1 TYR 40 HE2 TYR 40 -6.319 -5.217 16.500 292 HE2 TYR 40 HE1 TYR 40 -3.047 -3.106 18.245 293 HH TYR 40 HH TYR 40 -5.204 -4.468 19.336 294 H LYS 41 H LYS 41 -5.371 0.967 14.429 295 HA LYS 41 HA LYS 41 -6.853 0.552 16.832 296 HB2 LYS 41 HB2 LYS 41 -5.478 2.868 15.543 297 HB3 LYS 41 HB3 LYS 41 -6.630 3.189 16.832 298 HG2 LYS 41 HG2 LYS 41 -5.079 1.170 17.873 299 HG3 LYS 41 HG3 LYS 41 -3.922 2.146 16.964 300 HD2 LYS 41 HD2 LYS 41 -5.899 3.454 18.794 301 HD3 LYS 41 HD3 LYS 41 -4.421 2.738 19.442 302 HE2 LYS 41 HE2 LYS 41 -3.784 4.929 19.067 303 HE3 LYS 41 HE3 LYS 41 -3.242 4.124 17.595 304 HZ1 LYS 41 HZ1 LYS 41 -5.893 4.970 17.239 305 HZ2 LYS 41 HZ2 LYS 41 -4.506 5.484 16.417 306 HZ3 LYS 41 HZ3 LYS 41 -4.997 6.279 17.827 307 H CYS 42 H CYS 42 -7.629 1.652 13.648 308 HA CYS 42 HA CYS 42 -10.076 2.971 14.390 309 HB2 CYS 42 HB2 CYS 42 -9.260 3.865 12.426 310 HB3 CYS 42 HB3 CYS 42 -8.692 2.309 11.829 311 H GLN 43 H GLN 43 -9.287 -0.051 12.675 312 HA GLN 43 HA GLN 43 -11.936 -0.973 12.467 313 HB2 GLN 43 HB2 GLN 43 -10.782 -3.254 12.229 314 HB3 GLN 43 HB3 GLN 43 -10.395 -2.015 11.043 315 HG2 GLN 43 HG2 GLN 43 -8.247 -2.099 11.560 316 HG3 GLN 43 HG3 GLN 43 -8.593 -1.856 13.271 317 HE21 GLN 43 HE22 GLN 43 -8.461 -4.305 10.738 318 HE22 GLN 43 HE21 GLN 43 -8.051 -5.620 11.780 319 H ASN 44 H ASN 44 -9.437 -1.526 14.912 320 HA ASN 44 HA ASN 44 -11.538 -2.436 16.746 321 HB2 ASN 44 HB2 ASN 44 -8.880 -3.808 16.295 322 HB3 ASN 44 HB3 ASN 44 -9.965 -4.166 17.635 323 HD21 ASN 44 HD22 ASN 44 -9.043 -5.927 15.544 324 HD22 ASN 44 HD21 ASN 44 -10.451 -6.494 14.719 325 HA PRO 45 HA PRO 45 -8.922 0.888 18.617 326 HB2 PRO 45 HB3 PRO 45 -11.015 2.219 19.720 327 HB3 PRO 45 HB2 PRO 45 -10.476 2.485 18.058 328 HG2 PRO 45 HG2 PRO 45 -12.747 0.818 19.068 329 HG3 PRO 45 HG3 PRO 45 -12.698 1.915 17.676 330 HD2 PRO 45 HD2 PRO 45 -12.474 -0.771 17.421 331 HD3 PRO 45 HD3 PRO 45 -11.654 0.363 16.329 332 H ASN 46 H ASN 46 -10.945 -1.596 19.690 333 HA ASN 46 HA ASN 46 -10.387 -1.038 22.518 334 HB2 ASN 46 HB2 ASN 46 -12.706 -1.463 22.171 335 HB3 ASN 46 HB3 ASN 46 -12.368 -2.870 21.166 336 HD21 ASN 46 HD22 ASN 46 -11.833 -4.807 22.124 337 HD22 ASN 46 HD21 ASN 46 -12.028 -5.097 23.816 338 H HIS 47 H HIS 47 -9.472 -3.032 19.896 339 HA HIS 47 HA HIS 47 -8.580 -5.308 21.331 340 HB2 HIS 47 HB2 HIS 47 -8.213 -4.225 18.589 341 HB3 HIS 47 HB3 HIS 47 -7.016 -5.388 19.153 342 HD1 HIS 47 HD1 HIS 47 -10.363 -5.998 20.504 343 HD2 HIS 47 HD2 HIS 47 -8.201 -7.095 17.130 344 HE1 HIS 47 HE1 HIS 47 -11.598 -7.956 19.521 345 H GLU 48 H GLU 48 -6.231 -5.963 21.384 346 HA GLU 48 HA GLU 48 -4.579 -3.664 22.206 347 HB2 GLU 48 HB2 GLU 48 -5.326 -5.204 24.051 348 HB3 GLU 48 HB3 GLU 48 -4.391 -6.479 23.283 349 HG2 GLU 48 HG2 GLU 48 -2.351 -5.222 23.601 350 HG3 GLU 48 HG3 GLU 48 -3.261 -3.877 24.287 351 H LYS 49 H LYS 49 -2.560 -3.482 21.398 352 HA LYS 49 HA LYS 49 -1.858 -4.825 19.042 353 HB2 LYS 49 HB2 LYS 49 -0.998 -2.572 20.222 354 HB3 LYS 49 HB3 LYS 49 0.319 -3.643 20.681 355 HG2 LYS 49 HG2 LYS 49 0.738 -4.166 18.349 356 HG3 LYS 49 HG3 LYS 49 -0.622 -3.152 17.862 357 HD2 LYS 49 HD2 LYS 49 1.399 -1.900 17.552 358 HD3 LYS 49 HD3 LYS 49 0.532 -1.214 18.928 359 HE2 LYS 49 HE2 LYS 49 2.196 -3.217 19.975 360 HE3 LYS 49 HE3 LYS 49 3.178 -2.330 18.810 361 HZ1 LYS 49 HZ1 LYS 49 3.461 -1.151 20.762 362 HZ2 LYS 49 HZ2 LYS 49 1.850 -1.331 21.245 363 HZ3 LYS 49 HZ3 LYS 49 2.242 -0.269 19.988 364 H LEU 50 H LEU 50 -0.868 -6.700 18.652 365 HA LEU 50 HA LEU 50 0.030 -8.294 20.925 366 HB2 LEU 50 HB2 LEU 50 -0.890 -8.845 18.171 367 HB3 LEU 50 HB3 LEU 50 0.321 -9.945 18.827 368 HG LEU 50 HG LEU 50 -2.357 -9.357 20.089 369 HD11 LEU 50 HD11 LEU 50 -2.809 -10.576 18.129 370 HD12 LEU 50 HD12 LEU 50 -2.775 -11.770 19.426 371 HD13 LEU 50 HD13 LEU 50 -1.393 -11.605 18.344 372 HD21 LEU 50 HD21 LEU 50 -0.772 -9.954 21.772 373 HD22 LEU 50 HD22 LEU 50 -0.144 -11.278 20.790 374 HD23 LEU 50 HD23 LEU 50 -1.775 -11.370 21.453 375 H GLY 51 H GLY 51 1.534 -5.998 19.556 376 HA2 GLY 51 HA2 GLY 51 3.716 -6.805 18.110 377 HA3 GLY 51 HA3 GLY 51 3.769 -5.510 19.296 378 H TYR 52 H TYR 52 4.396 -6.005 21.459 379 HA TYR 52 HA TYR 52 6.429 -8.036 21.568 380 HB2 TYR 52 HB2 TYR 52 6.386 -5.655 22.668 381 HB3 TYR 52 HB3 TYR 52 5.538 -6.481 23.970 382 HD1 TYR 52 HD1 TYR 52 8.648 -6.711 21.922 383 HD2 TYR 52 HD2 TYR 52 6.761 -7.523 25.648 384 HE1 TYR 52 HE1 TYR 52 10.804 -7.452 22.846 385 HE2 TYR 52 HE2 TYR 52 8.911 -8.264 26.583 386 HH TYR 52 HH TYR 52 11.285 -9.265 25.164 387 H THR 53 H THR 53 4.391 -9.550 21.129 388 HA THR 53 HA THR 53 3.610 -10.650 23.750 389 HB THR 53 HB THR 53 1.942 -11.010 21.272 390 HG1 THR 53 HG1 THR 53 2.255 -8.712 21.929 391 HG21 THR 53 HG21 THR 53 0.312 -10.958 23.485 392 HG22 THR 53 HG22 THR 53 1.769 -11.741 24.095 393 HG23 THR 53 HG23 THR 53 0.926 -12.412 22.699 394 H HIS 54 H HIS 54 3.373 -12.949 23.863 395 HA HIS 54 HA HIS 54 5.411 -14.356 22.478 396 HB2 HIS 54 HB2 HIS 54 3.538 -14.883 24.644 397 HB3 HIS 54 HB3 HIS 54 3.757 -16.287 23.603 398 HD1 HIS 54 HD1 HIS 54 6.283 -13.735 24.875 399 HD2 HIS 54 HD2 HIS 54 5.581 -17.830 24.860 400 HE1 HIS 54 HE1 HIS 54 8.282 -14.764 26.002 401 H GLU 55 H GLU 55 2.115 -13.722 21.789 402 HA GLU 55 HA GLU 55 1.678 -15.997 20.094 403 HB2 GLU 55 HB2 GLU 55 0.157 -13.403 20.394 404 HB3 GLU 55 HB3 GLU 55 -0.370 -14.752 19.397 405 HG2 GLU 55 HG2 GLU 55 0.248 -15.552 22.118 406 HG3 GLU 55 HG3 GLU 55 -1.012 -14.322 22.036 407 H CYS 56 H CYS 56 2.790 -12.703 19.683 408 HA CYS 56 HA CYS 56 2.988 -13.130 16.780 409 HB2 CYS 56 HB2 CYS 56 1.858 -11.036 17.996 410 HB3 CYS 56 HB3 CYS 56 3.522 -10.459 17.981 411 H GLU 57 H GLU 57 4.823 -14.387 18.543 412 HA GLU 57 HA GLU 57 7.197 -13.095 19.049 413 HB2 GLU 57 HB2 GLU 57 6.637 -15.453 19.666 414 HB3 GLU 57 HB3 GLU 57 6.956 -15.918 18.001 415 HG2 GLU 57 HG2 GLU 57 8.935 -16.437 19.054 416 HG3 GLU 57 HG3 GLU 57 9.269 -14.841 18.384 417 H GLU 58 H GLU 58 5.927 -14.207 15.991 418 HA GLU 58 HA GLU 58 8.281 -14.122 14.467 419 HB2 GLU 58 HB2 GLU 58 5.377 -13.771 13.749 420 HB3 GLU 58 HB3 GLU 58 6.648 -13.691 12.537 421 HG2 GLU 58 HG2 GLU 58 6.843 -15.899 12.455 422 HG3 GLU 58 HG3 GLU 58 6.900 -16.038 14.211 423 H ALA 59 H ALA 59 5.937 -11.615 15.292 424 HA ALA 59 HA ALA 59 6.975 -9.596 13.617 425 HB1 ALA 59 HB1 ALA 59 5.763 -8.041 15.160 426 HB2 ALA 59 HB2 ALA 59 4.775 -9.343 14.495 427 HB3 ALA 59 HB3 ALA 59 5.362 -9.441 16.156 428 H ILE 60 H ILE 60 7.822 -10.685 16.842 429 HA ILE 60 HA ILE 60 9.322 -8.559 17.769 430 HB ILE 60 HB ILE 60 9.991 -11.482 18.130 431 HG12 ILE 60 HG12 ILE 60 7.681 -11.052 18.760 432 HG13 ILE 60 HG13 ILE 60 8.652 -11.294 20.208 433 HG21 ILE 60 HG21 ILE 60 11.712 -10.763 19.332 434 HG22 ILE 60 HG22 ILE 60 11.246 -9.086 19.056 435 HG23 ILE 60 HG23 ILE 60 10.581 -9.971 20.428 436 HD11 ILE 60 HD11 ILE 60 7.737 -9.426 20.969 437 HD12 ILE 60 HD12 ILE 60 8.745 -8.567 19.805 438 HD13 ILE 60 HD13 ILE 60 7.090 -9.007 19.383 439 H LYS 61 H LYS 61 10.305 -11.177 15.597 440 HA LYS 61 HA LYS 61 12.991 -10.128 15.351 441 HB2 LYS 61 HB2 LYS 61 13.379 -11.996 13.849 442 HB3 LYS 61 HB3 LYS 61 12.568 -12.559 15.304 443 HG2 LYS 61 HG2 LYS 61 10.543 -12.889 14.189 444 HG3 LYS 61 HG3 LYS 61 11.033 -11.890 12.819 445 HD2 LYS 61 HD2 LYS 61 11.115 -14.201 12.160 446 HD3 LYS 61 HD3 LYS 61 12.766 -13.587 12.274 447 HE2 LYS 61 HE2 LYS 61 13.267 -15.203 13.711 448 HE3 LYS 61 HE3 LYS 61 12.033 -14.606 14.819 449 HZ1 LYS 61 HZ1 LYS 61 10.405 -15.987 13.752 450 HZ2 LYS 61 HZ2 LYS 61 11.722 -16.949 14.201 451 HZ3 LYS 61 HZ3 LYS 61 11.520 -16.493 12.585 452 H ASN 62 H ASN 62 9.966 -9.899 13.679 453 HA ASN 62 HA ASN 62 10.975 -9.055 11.162 454 HB2 ASN 62 HB2 ASN 62 8.542 -9.837 12.002 455 HB3 ASN 62 HB3 ASN 62 8.309 -8.091 12.040 456 HD21 ASN 62 HD22 ASN 62 7.170 -10.189 10.304 457 HD22 ASN 62 HD21 ASN 62 7.519 -9.685 8.689 458 H ALA 63 H ALA 63 10.436 -7.466 14.185 459 HA ALA 63 HA ALA 63 10.666 -4.814 12.981 460 HB1 ALA 63 HB1 ALA 63 9.044 -4.676 14.592 461 HB2 ALA 63 HB2 ALA 63 9.843 -5.836 15.653 462 HB3 ALA 63 HB3 ALA 63 10.460 -4.189 15.523 463 HA PRO 64 HA PRO 64 14.912 -4.212 13.911 464 HB2 PRO 64 HB3 PRO 64 14.964 -1.621 14.721 465 HB3 PRO 64 HB2 PRO 64 14.702 -2.096 13.039 466 HG2 PRO 64 HG2 PRO 64 12.699 -1.298 15.116 467 HG3 PRO 64 HG3 PRO 64 12.784 -0.833 13.407 468 HD2 PRO 64 HD2 PRO 64 11.103 -2.753 14.312 469 HD3 PRO 64 HD3 PRO 64 11.829 -2.805 12.692 470 H ARG 65 H ARG 65 15.623 -5.380 15.620 471 HA ARG 65 HA ARG 65 15.105 -4.311 18.316 472 HB2 ARG 65 HB2 ARG 65 15.712 -6.676 19.059 473 HB3 ARG 65 HB3 ARG 65 14.167 -6.471 18.244 474 HG2 ARG 65 HG2 ARG 65 14.780 -7.721 16.478 475 HG3 ARG 65 HG3 ARG 65 16.441 -7.126 16.499 476 HD2 ARG 65 HD2 ARG 65 17.154 -8.854 17.727 477 HD3 ARG 65 HD3 ARG 65 15.780 -8.745 18.827 478 HE ARG 65 HE ARG 65 15.024 -9.851 16.318 479 HH11 ARG 65 HH11 ARG 65 16.600 -10.601 19.330 480 HH12 ARG 65 HH12 ARG 65 16.224 -12.290 19.257 481 HH21 ARG 65 HH22 ARG 65 14.523 -12.074 16.210 482 HH22 ARG 65 HH21 ARG 65 15.043 -13.128 17.481 483 HA PRO 66 HA PRO 66 19.568 -3.537 17.651 484 HB2 PRO 66 HB3 PRO 66 19.642 -1.369 19.284 485 HB3 PRO 66 HB2 PRO 66 19.138 -1.281 17.592 486 HG2 PRO 66 HG2 PRO 66 17.457 -1.403 20.066 487 HG3 PRO 66 HG3 PRO 66 17.254 -0.391 18.624 488 HD2 PRO 66 HD2 PRO 66 15.814 -2.646 19.035 489 HD3 PRO 66 HD3 PRO 66 16.277 -2.092 17.413
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