NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
3203 | 1dav | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 5.111 18.689 8.972 2 HA MET 1 HA MET 1 3.854 20.790 10.525 3 1HB MET 1 2HB MET 1 3.656 20.301 7.557 4 2HB MET 1 1HB MET 1 2.147 20.657 8.372 5 1HG MET 1 2HG MET 1 3.141 22.750 9.315 6 2HG MET 1 1HG MET 1 4.663 22.389 8.525 7 1HE MET 1 1HE MET 1 4.289 22.841 4.961 8 2HE MET 1 2HE MET 1 4.824 21.704 6.221 9 3HE MET 1 3HE MET 1 3.344 21.368 5.290 10 H SER 2 H SER 2 3.185 17.941 8.358 11 HA SER 2 HA SER 2 2.006 16.542 10.498 12 1HB SER 2 2HB SER 2 0.270 18.213 8.839 13 2HB SER 2 1HB SER 2 -0.178 16.525 8.696 14 HG SER 2 HG SER 2 -1.304 17.190 10.479 15 H THR 3 H THR 3 1.915 14.309 9.999 16 HA THR 3 HA THR 3 2.095 13.507 7.215 17 HB THR 3 HB THR 3 4.312 13.114 9.284 18 HG1 THR 3 1HG THR 3 3.992 14.123 6.545 19 1HG2 THR 3 1HG2 THR 3 5.194 11.361 8.067 20 2HG2 THR 3 2HG2 THR 3 3.513 11.111 7.540 21 3HG2 THR 3 3HG2 THR 3 4.636 12.042 6.520 22 H LYS 4 H LYS 4 1.228 11.507 6.817 23 HA LYS 4 HA LYS 4 0.929 9.558 8.817 24 1HB LYS 4 2HB LYS 4 -0.965 11.636 9.020 25 2HB LYS 4 1HB LYS 4 -1.815 10.301 8.266 26 1HG LYS 4 2HG LYS 4 -1.312 8.805 10.077 27 2HG LYS 4 1HG LYS 4 -0.059 9.855 10.709 28 1HD LYS 4 2HD LYS 4 -1.551 11.085 11.916 29 2HD LYS 4 1HD LYS 4 -2.641 11.252 10.555 30 1HE LYS 4 2HE LYS 4 -3.830 9.289 11.079 31 2HE LYS 4 1HE LYS 4 -2.476 8.562 11.921 32 1HZ LYS 4 1HZ LYS 4 -2.814 10.489 13.540 33 2HZ LYS 4 2HZ LYS 4 -4.299 10.626 12.874 34 3HZ LYS 4 3HZ LYS 4 -3.856 9.232 13.600 35 H LEU 5 H LEU 5 1.685 8.121 7.275 36 HA LEU 5 HA LEU 5 -0.227 7.154 5.439 37 1HB LEU 5 2HB LEU 5 0.655 7.742 3.376 38 2HB LEU 5 1HB LEU 5 0.600 9.240 4.285 39 HG LEU 5 HG LEU 5 3.102 7.564 3.954 40 1HD1 LEU 5 1HD1 LEU 5 3.520 8.472 1.965 41 2HD1 LEU 5 2HD1 LEU 5 1.812 8.970 1.940 42 3HD1 LEU 5 3HD1 LEU 5 3.060 10.098 2.519 43 1HD2 LEU 5 1HD2 LEU 5 2.453 9.773 5.648 44 2HD2 LEU 5 2HD2 LEU 5 3.996 8.900 5.479 45 3HD2 LEU 5 3HD2 LEU 5 3.650 10.307 4.445 46 H TYR 6 H TYR 6 0.792 5.303 4.099 47 HA TYR 6 HA TYR 6 3.241 4.286 5.281 48 1HB TYR 6 2HB TYR 6 1.426 3.460 6.769 49 2HB TYR 6 1HB TYR 6 0.425 3.052 5.390 50 HD1 TYR 6 1HD TYR 6 0.805 1.006 4.113 51 HD2 TYR 6 2HD TYR 6 3.312 2.026 7.428 52 HE1 TYR 6 1HE TYR 6 1.729 -1.362 4.154 53 HE2 TYR 6 2HE TYR 6 4.226 -0.347 7.457 54 HH TYR 6 HH TYR 6 3.425 -2.618 4.916 55 H GLY 7 H GLY 7 4.350 4.158 3.351 56 1HA GLY 7 2HA GLY 7 4.905 3.445 1.295 57 2HA GLY 7 1HA GLY 7 3.913 2.038 1.622 58 H ASP 8 H ASP 8 2.999 5.536 1.295 59 HA ASP 8 HA ASP 8 0.688 4.999 -0.072 60 1HB ASP 8 2HB ASP 8 1.966 7.246 0.928 61 2HB ASP 8 1HB ASP 8 2.075 7.535 -0.797 62 H VAL 9 H VAL 9 0.168 5.320 -2.406 63 HA VAL 9 HA VAL 9 2.441 4.605 -4.093 64 HB VAL 9 HB VAL 9 -0.507 4.573 -4.749 65 1HG1 VAL 9 1HG1 VAL 9 1.190 4.516 -6.622 66 2HG1 VAL 9 2HG1 VAL 9 1.756 2.962 -5.964 67 3HG1 VAL 9 3HG1 VAL 9 0.085 3.123 -6.553 68 1HG2 VAL 9 1HG2 VAL 9 1.170 2.273 -3.689 69 2HG2 VAL 9 2HG2 VAL 9 -0.034 3.182 -2.745 70 3HG2 VAL 9 3HG2 VAL 9 -0.549 2.221 -4.153 71 H ASN 10 H ASN 10 -0.465 6.794 -4.125 72 HA ASN 10 HA ASN 10 1.086 8.509 -5.894 73 1HB ASN 10 2HB ASN 10 -1.358 9.567 -6.161 74 2HB ASN 10 1HB ASN 10 -0.919 8.123 -7.053 75 1HD2 ASN 10 1HD2 ASN 10 -3.077 7.510 -7.182 76 2HD2 ASN 10 2HD2 ASN 10 -3.938 6.810 -5.851 77 H ASP 11 H ASP 11 1.167 8.247 -2.837 78 HA ASP 11 HA ASP 11 1.165 9.472 -1.044 79 1HB ASP 11 2HB ASP 11 1.175 11.950 -2.809 80 2HB ASP 11 1HB ASP 11 1.922 11.758 -1.236 81 H ASP 12 H ASP 12 -1.426 8.714 -1.749 82 HA ASP 12 HA ASP 12 -3.004 11.142 -1.550 83 1HB ASP 12 2HB ASP 12 -3.904 9.843 -3.287 84 2HB ASP 12 1HB ASP 12 -3.506 8.328 -2.503 85 H GLY 13 H GLY 13 -2.501 7.833 -0.145 86 1HA GLY 13 2HA GLY 13 -3.113 8.778 2.504 87 2HA GLY 13 1HA GLY 13 -4.355 7.736 1.838 88 H LYS 14 H LYS 14 -3.015 5.830 0.369 89 HA LYS 14 HA LYS 14 -0.686 4.847 1.565 90 1HB LYS 14 2HB LYS 14 -1.731 2.856 2.723 91 2HB LYS 14 1HB LYS 14 -1.869 4.392 3.554 92 1HG LYS 14 2HG LYS 14 -4.110 3.813 1.679 93 2HG LYS 14 1HG LYS 14 -3.987 2.692 3.019 94 1HD LYS 14 2HD LYS 14 -4.734 4.240 4.512 95 2HD LYS 14 1HD LYS 14 -3.605 5.450 3.937 96 1HE LYS 14 2HE LYS 14 -5.147 5.882 1.968 97 2HE LYS 14 1HE LYS 14 -6.298 4.760 2.668 98 1HZ LYS 14 1HZ LYS 14 -5.513 6.576 4.625 99 2HZ LYS 14 2HZ LYS 14 -5.946 7.421 3.296 100 3HZ LYS 14 3HZ LYS 14 -6.996 6.367 3.973 101 H VAL 15 H VAL 15 -0.647 2.247 0.994 102 HA VAL 15 HA VAL 15 -1.459 2.215 -1.815 103 HB VAL 15 HB VAL 15 0.871 1.939 -1.516 104 1HG1 VAL 15 1HG1 VAL 15 1.780 0.038 -0.094 105 2HG1 VAL 15 2HG1 VAL 15 1.086 1.415 0.794 106 3HG1 VAL 15 3HG1 VAL 15 0.153 -0.090 0.616 107 1HG2 VAL 15 1HG2 VAL 15 0.945 0.324 -3.052 108 2HG2 VAL 15 2HG2 VAL 15 0.578 -0.914 -1.827 109 3HG2 VAL 15 3HG2 VAL 15 -0.747 -0.072 -2.666 110 H ASN 16 H ASN 16 -3.469 1.362 -2.077 111 HA ASN 16 HA ASN 16 -3.854 -1.282 -1.026 112 1HB ASN 16 2HB ASN 16 -6.370 -0.016 -0.597 113 2HB ASN 16 1HB ASN 16 -5.290 -0.643 0.632 114 1HD2 ASN 16 1HD2 ASN 16 -6.874 2.030 -0.490 115 2HD2 ASN 16 2HD2 ASN 16 -5.977 3.296 0.282 116 H SER 17 H SER 17 -6.584 -1.593 -1.743 117 HA SER 17 HA SER 17 -6.478 -1.980 -4.412 118 1HB SER 17 2HB SER 17 -8.219 -3.071 -3.251 119 2HB SER 17 1HB SER 17 -8.764 -1.600 -2.472 120 HG SER 17 HG SER 17 -10.271 -1.765 -4.029 121 H THR 18 H THR 18 -6.932 1.017 -2.663 122 HA THR 18 HA THR 18 -8.330 2.443 -4.676 123 HB THR 18 HB THR 18 -6.565 3.296 -2.320 124 HG1 THR 18 1HG THR 18 -8.646 3.308 -1.317 125 1HG2 THR 18 1HG2 THR 18 -8.790 5.045 -3.197 126 2HG2 THR 18 2HG2 THR 18 -7.129 5.484 -2.731 127 3HG2 THR 18 3HG2 THR 18 -7.476 4.949 -4.393 128 H ASP 19 H ASP 19 -4.828 2.117 -3.844 129 HA ASP 19 HA ASP 19 -4.218 3.684 -6.177 130 1HB ASP 19 2HB ASP 19 -2.529 2.405 -3.986 131 2HB ASP 19 1HB ASP 19 -1.803 3.192 -5.373 132 H ALA 20 H ALA 20 -5.505 0.934 -6.312 133 HA ALA 20 HA ALA 20 -3.575 -0.988 -6.991 134 1HB ALA 20 1HB ALA 20 -6.539 -0.616 -7.442 135 2HB ALA 20 2HB ALA 20 -5.676 -1.969 -8.213 136 3HB ALA 20 3HB ALA 20 -5.693 -1.819 -6.439 137 H VAL 21 H VAL 21 -5.299 1.567 -8.828 138 HA VAL 21 HA VAL 21 -4.910 0.867 -11.381 139 HB VAL 21 HB VAL 21 -4.281 3.445 -11.592 140 1HG1 VAL 21 1HG1 VAL 21 -7.004 3.333 -10.606 141 2HG1 VAL 21 2HG1 VAL 21 -6.406 3.539 -12.270 142 3HG1 VAL 21 3HG1 VAL 21 -6.636 1.905 -11.602 143 1HG2 VAL 21 1HG2 VAL 21 -4.134 3.183 -8.854 144 2HG2 VAL 21 2HG2 VAL 21 -4.393 4.708 -9.734 145 3HG2 VAL 21 3HG2 VAL 21 -5.784 3.805 -9.089 146 H ALA 22 H ALA 22 -2.409 2.465 -9.286 147 HA ALA 22 HA ALA 22 -0.405 2.177 -11.289 148 1HB ALA 22 1HB ALA 22 0.624 3.677 -9.965 149 2HB ALA 22 2HB ALA 22 -0.792 3.615 -8.890 150 3HB ALA 22 3HB ALA 22 0.601 2.551 -8.587 151 H LEU 23 H LEU 23 -1.623 0.270 -8.541 152 HA LEU 23 HA LEU 23 0.539 -1.382 -8.119 153 1HB LEU 23 2HB LEU 23 -1.613 -1.170 -6.815 154 2HB LEU 23 1HB LEU 23 -2.361 -2.205 -8.017 155 HG LEU 23 HG LEU 23 0.122 -3.307 -6.874 156 1HD1 LEU 23 1HD1 LEU 23 -2.059 -3.681 -4.961 157 2HD1 LEU 23 2HD1 LEU 23 -0.335 -3.326 -4.690 158 3HD1 LEU 23 3HD1 LEU 23 -1.472 -2.002 -5.040 159 1HD2 LEU 23 1HD2 LEU 23 -2.392 -4.208 -8.006 160 2HD2 LEU 23 2HD2 LEU 23 -0.840 -5.064 -7.834 161 3HD2 LEU 23 3HD2 LEU 23 -2.011 -5.066 -6.494 162 H LYS 24 H LYS 24 -2.312 -2.008 -10.292 163 HA LYS 24 HA LYS 24 -1.347 -4.316 -11.419 164 1HB LYS 24 2HB LYS 24 -3.648 -3.194 -11.612 165 2HB LYS 24 1HB LYS 24 -2.967 -2.260 -12.928 166 1HG LYS 24 2HG LYS 24 -2.501 -4.239 -14.232 167 2HG LYS 24 1HG LYS 24 -2.769 -5.298 -12.861 168 1HD LYS 24 2HD LYS 24 -5.145 -4.889 -12.872 169 2HD LYS 24 1HD LYS 24 -4.983 -3.506 -13.935 170 1HE LYS 24 2HE LYS 24 -4.215 -4.999 -15.782 171 2HE LYS 24 1HE LYS 24 -4.333 -6.388 -14.721 172 1HZ LYS 24 1HZ LYS 24 -6.677 -4.705 -15.012 173 2HZ LYS 24 2HZ LYS 24 -6.290 -5.699 -16.251 174 3HZ LYS 24 3HZ LYS 24 -6.581 -6.317 -14.767 175 H ARG 25 H ARG 25 -0.708 -0.882 -12.312 176 HA ARG 25 HA ARG 25 0.749 -1.541 -14.592 177 1HB ARG 25 2HB ARG 25 0.208 0.878 -12.950 178 2HB ARG 25 1HB ARG 25 1.765 0.921 -13.753 179 1HG ARG 25 2HG ARG 25 0.211 1.895 -15.303 180 2HG ARG 25 1HG ARG 25 0.557 0.293 -15.925 181 1HD ARG 25 2HD ARG 25 -1.588 -0.454 -15.568 182 2HD ARG 25 1HD ARG 25 -1.723 0.354 -14.019 183 HE ARG 25 HE ARG 25 -2.624 1.382 -16.568 184 1HH1 ARG 25 2HH2 ARG 25 -1.266 2.396 -13.485 185 2HH1 ARG 25 1HH2 ARG 25 -1.942 3.989 -13.566 186 1HH2 ARG 25 2HH1 ARG 25 -3.515 3.483 -16.676 187 2HH2 ARG 25 1HH1 ARG 25 -3.230 4.612 -15.393 188 H TYR 26 H TYR 26 1.486 -1.468 -11.142 189 HA TYR 26 HA TYR 26 4.337 -1.335 -11.526 190 1HB TYR 26 2HB TYR 26 2.866 -0.478 -9.548 191 2HB TYR 26 1HB TYR 26 2.589 -2.155 -9.125 192 HD1 TYR 26 1HD TYR 26 4.953 0.619 -9.030 193 HD2 TYR 26 2HD TYR 26 4.462 -3.564 -8.281 194 HE1 TYR 26 1HE TYR 26 7.075 0.613 -7.629 195 HE2 TYR 26 2HE TYR 26 6.585 -3.556 -6.883 196 HH TYR 26 HH TYR 26 8.679 -0.781 -6.803 197 H VAL 27 H VAL 27 2.091 -3.799 -10.058 198 HA VAL 27 HA VAL 27 3.848 -5.836 -9.796 199 HB VAL 27 HB VAL 27 0.970 -6.004 -10.710 200 1HG1 VAL 27 1HG1 VAL 27 0.935 -8.208 -9.696 201 2HG1 VAL 27 2HG1 VAL 27 2.236 -8.135 -10.908 202 3HG1 VAL 27 3HG1 VAL 27 2.628 -8.033 -9.175 203 1HG2 VAL 27 1HG2 VAL 27 0.648 -6.352 -8.158 204 2HG2 VAL 27 2HG2 VAL 27 2.240 -5.570 -8.010 205 3HG2 VAL 27 3HG2 VAL 27 0.889 -4.699 -8.774 206 H LEU 28 H LEU 28 2.316 -4.618 -12.785 207 HA LEU 28 HA LEU 28 3.105 -6.816 -14.381 208 1HB LEU 28 2HB LEU 28 1.854 -4.175 -14.742 209 2HB LEU 28 1HB LEU 28 2.790 -4.735 -16.113 210 HG LEU 28 HG LEU 28 1.423 -6.948 -15.828 211 1HD1 LEU 28 1HD1 LEU 28 0.441 -6.030 -13.624 212 2HD1 LEU 28 2HD1 LEU 28 -0.638 -5.080 -14.675 213 3HD1 LEU 28 3HD1 LEU 28 -0.647 -6.858 -14.765 214 1HD2 LEU 28 1HD2 LEU 28 1.159 -5.815 -17.833 215 2HD2 LEU 28 2HD2 LEU 28 -0.491 -5.821 -17.168 216 3HD2 LEU 28 3HD2 LEU 28 0.510 -4.355 -17.047 217 H ARG 29 H ARG 29 4.443 -3.477 -13.895 218 HA ARG 29 HA ARG 29 7.049 -4.552 -14.255 219 1HB ARG 29 2HB ARG 29 7.693 -3.191 -16.176 220 2HB ARG 29 1HB ARG 29 6.270 -4.112 -16.625 221 1HG ARG 29 2HG ARG 29 6.044 -1.288 -15.509 222 2HG ARG 29 1HG ARG 29 6.307 -1.575 -17.217 223 1HD ARG 29 2HD ARG 29 4.141 -3.270 -16.164 224 2HD ARG 29 1HD ARG 29 3.820 -1.571 -15.883 225 HE ARG 29 HE ARG 29 3.872 -2.922 -18.466 226 1HH1 ARG 29 2HH2 ARG 29 4.341 0.181 -16.872 227 2HH1 ARG 29 1HH2 ARG 29 3.991 1.107 -18.292 228 1HH2 ARG 29 2HH1 ARG 29 3.410 -1.699 -20.340 229 2HH2 ARG 29 1HH1 ARG 29 3.458 0.031 -20.278 230 H SER 30 H SER 30 8.745 -2.680 -13.998 231 HA SER 30 HA SER 30 7.648 -0.885 -12.008 232 1HB SER 30 2HB SER 30 10.308 -2.141 -12.523 233 2HB SER 30 1HB SER 30 10.362 -0.512 -11.881 234 HG SER 30 HG SER 30 8.682 -1.433 -10.260 235 H GLY 31 H GLY 31 6.673 0.229 -14.088 236 1HA GLY 31 2HA GLY 31 8.669 1.978 -15.365 237 2HA GLY 31 1HA GLY 31 7.065 1.608 -15.968 238 H ILE 32 H ILE 32 5.399 2.008 -13.772 239 HA ILE 32 HA ILE 32 5.144 4.783 -13.762 240 HB ILE 32 HB ILE 32 3.494 4.303 -11.906 241 1HG1 ILE 32 2HG1 ILE 32 3.588 1.411 -12.502 242 2HG1 ILE 32 1HG1 ILE 32 4.925 2.002 -11.534 243 1HG2 ILE 32 1HG2 ILE 32 3.203 4.230 -14.533 244 2HG2 ILE 32 2HG2 ILE 32 2.893 2.506 -14.216 245 3HG2 ILE 32 3HG2 ILE 32 1.888 3.750 -13.434 246 1HD1 ILE 32 1HD1 ILE 32 3.391 1.601 -9.843 247 2HD1 ILE 32 2HD1 ILE 32 2.950 3.282 -10.227 248 3HD1 ILE 32 3HD1 ILE 32 1.991 1.937 -10.890 249 H SER 33 H SER 33 5.055 6.140 -11.671 250 HA SER 33 HA SER 33 7.445 5.473 -10.136 251 1HB SER 33 2HB SER 33 6.485 8.001 -11.386 252 2HB SER 33 1HB SER 33 7.117 8.182 -9.763 253 HG SER 33 HG SER 33 8.757 6.536 -11.259 254 H ILE 34 H ILE 34 7.053 5.004 -8.004 255 HA ILE 34 HA ILE 34 4.858 6.404 -6.691 256 HB ILE 34 HB ILE 34 3.909 4.429 -5.792 257 1HG1 ILE 34 2HG1 ILE 34 5.776 2.641 -7.332 258 2HG1 ILE 34 1HG1 ILE 34 6.247 3.253 -5.759 259 1HG2 ILE 34 1HG2 ILE 34 3.166 5.119 -8.044 260 2HG2 ILE 34 2HG2 ILE 34 4.338 3.985 -8.759 261 3HG2 ILE 34 3HG2 ILE 34 2.995 3.370 -7.766 262 1HD1 ILE 34 1HD1 ILE 34 3.547 1.921 -6.192 263 2HD1 ILE 34 2HD1 ILE 34 5.011 0.983 -5.810 264 3HD1 ILE 34 3HD1 ILE 34 4.406 2.196 -4.657 265 H ASN 35 H ASN 35 5.012 6.122 -4.246 266 HA ASN 35 HA ASN 35 7.640 6.721 -3.513 267 1HB ASN 35 2HB ASN 35 5.448 5.889 -1.563 268 2HB ASN 35 1HB ASN 35 6.735 7.049 -1.300 269 1HD2 ASN 35 1HD2 ASN 35 3.710 6.404 -2.941 270 2HD2 ASN 35 2HD2 ASN 35 3.262 8.042 -3.282 271 H THR 36 H THR 36 8.289 4.426 -4.588 272 HA THR 36 HA THR 36 7.745 2.039 -3.276 273 HB THR 36 HB THR 36 8.716 2.027 -5.485 274 HG1 THR 36 1HG THR 36 9.671 0.320 -4.351 275 1HG2 THR 36 1HG2 THR 36 11.310 2.805 -5.457 276 2HG2 THR 36 2HG2 THR 36 10.005 3.942 -5.873 277 3HG2 THR 36 3HG2 THR 36 10.688 3.934 -4.229 278 H ASP 37 H ASP 37 9.562 4.773 -2.191 279 HA ASP 37 HA ASP 37 11.596 3.871 -0.804 280 1HB ASP 37 2HB ASP 37 9.525 5.938 -0.336 281 2HB ASP 37 1HB ASP 37 10.314 5.420 1.141 282 H ASN 38 H ASN 38 8.397 4.252 0.898 283 HA ASN 38 HA ASN 38 9.065 1.832 2.375 284 1HB ASN 38 2HB ASN 38 7.220 2.868 3.985 285 2HB ASN 38 1HB ASN 38 8.850 3.511 4.018 286 1HD2 ASN 38 1HD2 ASN 38 5.928 4.515 4.346 287 2HD2 ASN 38 2HD2 ASN 38 5.900 6.021 3.493 288 H ALA 39 H ALA 39 7.873 1.697 -0.248 289 HA ALA 39 HA ALA 39 5.025 1.545 0.024 290 1HB ALA 39 1HB ALA 39 6.163 2.217 -2.076 291 2HB ALA 39 2HB ALA 39 6.900 0.601 -2.184 292 3HB ALA 39 3HB ALA 39 5.133 0.784 -2.311 293 H ASP 40 H ASP 40 7.709 -0.848 -0.526 294 HA ASP 40 HA ASP 40 5.882 -2.966 0.072 295 1HB ASP 40 2HB ASP 40 7.474 -3.482 -1.628 296 2HB ASP 40 1HB ASP 40 8.801 -2.774 -0.730 297 H LEU 41 H LEU 41 6.097 -4.378 1.955 298 HA LEU 41 HA LEU 41 8.103 -3.662 3.923 299 1HB LEU 41 2HB LEU 41 5.145 -3.540 4.523 300 2HB LEU 41 1HB LEU 41 6.433 -3.422 5.704 301 HG LEU 41 HG LEU 41 7.172 -1.411 4.063 302 1HD1 LEU 41 1HD1 LEU 41 4.560 -2.091 3.152 303 2HD1 LEU 41 2HD1 LEU 41 4.472 -0.509 3.963 304 3HD1 LEU 41 3HD1 LEU 41 5.618 -0.761 2.624 305 1HD2 LEU 41 1HD2 LEU 41 7.067 -0.788 6.242 306 2HD2 LEU 41 2HD2 LEU 41 5.575 -0.002 5.676 307 3HD2 LEU 41 3HD2 LEU 41 5.491 -1.571 6.512 308 H ASN 42 H ASN 42 7.324 -5.915 2.012 309 HA ASN 42 HA ASN 42 7.613 -7.955 3.999 310 1HB ASN 42 2HB ASN 42 5.450 -8.408 1.917 311 2HB ASN 42 1HB ASN 42 5.680 -9.232 3.447 312 1HD2 ASN 42 1HD2 ASN 42 5.068 -8.257 5.378 313 2HD2 ASN 42 2HD2 ASN 42 3.955 -6.932 5.451 314 H GLU 43 H GLU 43 9.047 -6.591 1.658 315 HA GLU 43 HA GLU 43 10.220 -7.064 -0.113 316 1HB GLU 43 2HB GLU 43 10.358 -9.491 1.580 317 2HB GLU 43 1HB GLU 43 10.791 -9.784 -0.092 318 1HG GLU 43 2HG GLU 43 12.415 -7.868 0.007 319 2HG GLU 43 1HG GLU 43 11.999 -7.617 1.692 320 H ASP 44 H ASP 44 7.378 -7.060 -0.534 321 HA ASP 44 HA ASP 44 7.139 -9.164 -2.537 322 1HB ASP 44 2HB ASP 44 4.924 -7.518 -1.229 323 2HB ASP 44 1HB ASP 44 4.689 -8.851 -2.342 324 H GLY 45 H GLY 45 6.925 -5.687 -1.727 325 1HA GLY 45 2HA GLY 45 7.646 -4.210 -3.556 326 2HA GLY 45 1HA GLY 45 6.528 -5.071 -4.595 327 H ARG 46 H ARG 46 4.210 -5.343 -3.143 328 HA ARG 46 HA ARG 46 3.627 -2.794 -1.967 329 1HB ARG 46 2HB ARG 46 2.516 -3.733 -4.621 330 2HB ARG 46 1HB ARG 46 1.455 -2.831 -3.556 331 1HG ARG 46 2HG ARG 46 2.474 -0.873 -4.083 332 2HG ARG 46 1HG ARG 46 4.050 -1.516 -3.660 333 1HD ARG 46 2HD ARG 46 4.611 -1.861 -5.847 334 2HD ARG 46 1HD ARG 46 3.084 -2.647 -6.200 335 HE ARG 46 HE ARG 46 3.736 0.008 -6.919 336 1HH1 ARG 46 2HH2 ARG 46 1.096 -1.672 -5.309 337 2HH1 ARG 46 1HH2 ARG 46 -0.104 -0.525 -5.803 338 1HH2 ARG 46 2HH1 ARG 46 2.154 1.521 -7.571 339 2HH2 ARG 46 1HH1 ARG 46 0.501 1.303 -7.098 340 H VAL 47 H VAL 47 1.187 -4.910 -3.501 341 HA VAL 47 HA VAL 47 0.726 -6.280 -0.971 342 HB VAL 47 HB VAL 47 -1.610 -5.711 -0.948 343 1HG1 VAL 47 1HG1 VAL 47 0.026 -3.168 -1.231 344 2HG1 VAL 47 2HG1 VAL 47 -1.476 -3.378 -0.301 345 3HG1 VAL 47 3HG1 VAL 47 0.009 -4.215 0.208 346 1HG2 VAL 47 1HG2 VAL 47 -2.651 -5.141 -2.837 347 2HG2 VAL 47 2HG2 VAL 47 -1.869 -3.544 -2.731 348 3HG2 VAL 47 3HG2 VAL 47 -1.100 -4.850 -3.662 349 H ASN 48 H ASN 48 1.690 -8.045 -2.236 350 HA ASN 48 HA ASN 48 0.684 -8.844 -4.666 351 1HB ASN 48 2HB ASN 48 1.838 -10.952 -4.241 352 2HB ASN 48 1HB ASN 48 2.805 -9.678 -3.526 353 1HD2 ASN 48 1HD2 ASN 48 2.989 -9.474 -1.332 354 2HD2 ASN 48 2HD2 ASN 48 2.465 -10.676 -0.200 355 H SER 49 H SER 49 -0.274 -9.543 -1.264 356 HA SER 49 HA SER 49 -2.877 -9.908 -1.687 357 1HB SER 49 2HB SER 49 -1.407 -12.237 -2.681 358 2HB SER 49 1HB SER 49 -2.511 -12.700 -1.401 359 HG SER 49 HG SER 49 -4.014 -11.120 -2.810 360 H THR 50 H THR 50 0.097 -10.985 -0.076 361 HA THR 50 HA THR 50 -1.252 -11.802 2.333 362 HB THR 50 HB THR 50 1.654 -11.420 1.462 363 HG1 THR 50 1HG THR 50 0.294 -13.252 0.699 364 1HG2 THR 50 1HG2 THR 50 2.220 -11.446 3.684 365 2HG2 THR 50 2HG2 THR 50 0.529 -11.709 4.174 366 3HG2 THR 50 3HG2 THR 50 1.552 -13.095 3.727 367 H ASP 51 H ASP 51 0.489 -8.899 1.132 368 HA ASP 51 HA ASP 51 0.323 -7.662 3.678 369 1HB ASP 51 2HB ASP 51 0.680 -5.979 1.234 370 2HB ASP 51 1HB ASP 51 1.604 -5.983 2.724 371 H LEU 52 H LEU 52 -1.351 -7.492 0.474 372 HA LEU 52 HA LEU 52 -2.904 -5.328 0.678 373 1HB LEU 52 2HB LEU 52 -2.783 -7.373 -1.004 374 2HB LEU 52 1HB LEU 52 -4.231 -7.867 -0.150 375 HG LEU 52 HG LEU 52 -3.964 -5.105 -1.339 376 1HD1 LEU 52 1HD1 LEU 52 -5.244 -7.432 -2.776 377 2HD1 LEU 52 2HD1 LEU 52 -4.866 -5.807 -3.397 378 3HD1 LEU 52 3HD1 LEU 52 -3.550 -6.953 -3.043 379 1HD2 LEU 52 1HD2 LEU 52 -6.569 -6.495 -1.196 380 2HD2 LEU 52 2HD2 LEU 52 -5.824 -6.087 0.368 381 3HD2 LEU 52 3HD2 LEU 52 -6.136 -4.808 -0.828 382 H GLY 53 H GLY 53 -3.920 -8.571 1.983 383 1HA GLY 53 2HA GLY 53 -6.212 -7.993 3.223 384 2HA GLY 53 1HA GLY 53 -4.998 -9.043 3.926 385 H ILE 54 H ILE 54 -3.182 -7.926 5.209 386 HA ILE 54 HA ILE 54 -4.166 -6.566 7.321 387 HB ILE 54 HB ILE 54 -1.707 -7.466 6.468 388 1HG1 ILE 54 2HG1 ILE 54 -2.145 -5.864 8.994 389 2HG1 ILE 54 1HG1 ILE 54 -2.849 -7.452 8.759 390 1HG2 ILE 54 1HG2 ILE 54 -1.100 -5.377 5.441 391 2HG2 ILE 54 2HG2 ILE 54 -1.548 -4.473 6.907 392 3HG2 ILE 54 3HG2 ILE 54 -0.155 -5.580 6.936 393 1HD1 ILE 54 1HD1 ILE 54 -0.706 -8.510 8.588 394 2HD1 ILE 54 2HD1 ILE 54 0.126 -6.953 8.358 395 3HD1 ILE 54 3HD1 ILE 54 -0.562 -7.369 9.946 396 H LEU 55 H LEU 55 -2.735 -5.122 4.321 397 HA LEU 55 HA LEU 55 -2.941 -2.481 5.075 398 1HB LEU 55 2HB LEU 55 -2.943 -3.933 2.458 399 2HB LEU 55 1HB LEU 55 -3.253 -2.209 2.486 400 HG LEU 55 HG LEU 55 -0.966 -2.554 4.083 401 1HD1 LEU 55 1HD1 LEU 55 -0.261 -4.618 3.433 402 2HD1 LEU 55 2HD1 LEU 55 -1.067 -4.525 1.848 403 3HD1 LEU 55 3HD1 LEU 55 0.460 -3.652 2.123 404 1HD2 LEU 55 1HD2 LEU 55 -0.703 -1.783 1.209 405 2HD2 LEU 55 2HD2 LEU 55 -1.759 -0.808 2.259 406 3HD2 LEU 55 3HD2 LEU 55 -0.040 -1.015 2.671 407 H LYS 56 H LYS 56 -5.322 -4.362 3.065 408 HA LYS 56 HA LYS 56 -7.272 -2.362 3.179 409 1HB LYS 56 2HB LYS 56 -8.746 -4.025 2.232 410 2HB LYS 56 1HB LYS 56 -7.173 -4.132 1.469 411 1HG LYS 56 2HG LYS 56 -6.579 -6.107 2.719 412 2HG LYS 56 1HG LYS 56 -7.900 -5.885 3.849 413 1HD LYS 56 2HD LYS 56 -8.691 -6.126 0.972 414 2HD LYS 56 1HD LYS 56 -8.009 -7.571 1.690 415 1HE LYS 56 2HE LYS 56 -9.678 -7.502 3.517 416 2HE LYS 56 1HE LYS 56 -10.313 -5.982 2.919 417 1HZ LYS 56 1HZ LYS 56 -11.039 -8.509 2.136 418 2HZ LYS 56 2HZ LYS 56 -11.559 -7.094 1.510 419 3HZ LYS 56 3HZ LYS 56 -10.276 -7.857 0.848 420 H ARG 57 H ARG 57 -5.990 -4.277 5.656 421 HA ARG 57 HA ARG 57 -8.495 -4.500 7.045 422 1HB ARG 57 2HB ARG 57 -6.014 -5.909 7.088 423 2HB ARG 57 1HB ARG 57 -6.135 -5.136 8.656 424 1HG ARG 57 2HG ARG 57 -8.210 -6.219 9.168 425 2HG ARG 57 1HG ARG 57 -8.497 -6.655 7.495 426 1HD ARG 57 2HD ARG 57 -6.211 -8.010 7.765 427 2HD ARG 57 1HD ARG 57 -6.581 -7.909 9.475 428 HE ARG 57 HE ARG 57 -7.946 -9.555 7.511 429 1HH1 ARG 57 2HH2 ARG 57 -8.426 -7.787 10.515 430 2HH1 ARG 57 1HH2 ARG 57 -9.760 -8.766 11.027 431 1HH2 ARG 57 2HH1 ARG 57 -9.707 -10.846 8.185 432 2HH2 ARG 57 1HH1 ARG 57 -10.493 -10.518 9.693 433 H TYR 58 H TYR 58 -5.294 -2.830 7.301 434 HA TYR 58 HA TYR 58 -6.231 -1.311 9.591 435 1HB TYR 58 2HB TYR 58 -3.908 -0.983 9.854 436 2HB TYR 58 1HB TYR 58 -3.827 -2.393 8.818 437 HD1 TYR 58 1HD TYR 58 -4.153 1.336 8.465 438 HD2 TYR 58 2HD TYR 58 -2.406 -2.282 6.991 439 HE1 TYR 58 1HE TYR 58 -2.831 2.666 6.748 440 HE2 TYR 58 2HE TYR 58 -1.090 -0.940 5.280 441 HH TYR 58 HH TYR 58 -1.700 2.465 4.803 442 H ILE 59 H ILE 59 -5.403 -0.882 6.115 443 HA ILE 59 HA ILE 59 -5.497 1.901 6.093 444 HB ILE 59 HB ILE 59 -5.574 1.720 3.747 445 1HG1 ILE 59 2HG1 ILE 59 -5.988 -0.868 2.957 446 2HG1 ILE 59 1HG1 ILE 59 -7.126 -0.735 4.282 447 1HG2 ILE 59 1HG2 ILE 59 -4.072 -0.569 3.562 448 2HG2 ILE 59 2HG2 ILE 59 -3.464 1.037 4.033 449 3HG2 ILE 59 3HG2 ILE 59 -3.912 -0.147 5.284 450 1HD1 ILE 59 1HD1 ILE 59 -7.948 -0.031 1.923 451 2HD1 ILE 59 2HD1 ILE 59 -8.292 1.081 3.270 452 3HD1 ILE 59 3HD1 ILE 59 -6.951 1.425 2.151 453 H LEU 60 H LEU 60 -7.971 -0.439 6.653 454 HA LEU 60 HA LEU 60 -10.171 0.743 5.481 455 1HB LEU 60 2HB LEU 60 -9.845 -1.493 6.753 456 2HB LEU 60 1HB LEU 60 -10.263 -0.567 8.181 457 HG LEU 60 HG LEU 60 -12.389 0.130 6.922 458 1HD1 LEU 60 1HD1 LEU 60 -13.095 -1.669 5.237 459 2HD1 LEU 60 2HD1 LEU 60 -11.958 -0.415 4.687 460 3HD1 LEU 60 3HD1 LEU 60 -11.360 -2.040 5.098 461 1HD2 LEU 60 1HD2 LEU 60 -11.738 -2.170 8.479 462 2HD2 LEU 60 2HD2 LEU 60 -13.284 -1.296 8.364 463 3HD2 LEU 60 3HD2 LEU 60 -12.941 -2.644 7.255 464 H LYS 61 H LYS 61 -8.332 1.613 8.412 465 HA LYS 61 HA LYS 61 -9.235 4.238 8.371 466 1HB LYS 61 2HB LYS 61 -10.738 4.339 10.268 467 2HB LYS 61 1HB LYS 61 -11.408 3.298 9.029 468 1HG LYS 61 2HG LYS 61 -9.753 2.156 11.313 469 2HG LYS 61 1HG LYS 61 -11.468 2.461 11.503 470 1HD LYS 61 2HD LYS 61 -11.387 1.110 9.067 471 2HD LYS 61 1HD LYS 61 -10.089 0.336 9.954 472 1HE LYS 61 2HE LYS 61 -12.651 0.777 11.459 473 2HE LYS 61 1HE LYS 61 -12.697 -0.420 10.180 474 1HZ LYS 61 1HZ LYS 61 -11.176 -1.711 11.245 475 2HZ LYS 61 2HZ LYS 61 -10.484 -0.480 12.065 476 3HZ LYS 61 3HZ LYS 61 -11.934 -1.063 12.537 477 H GLU 62 H GLU 62 -8.034 1.421 10.226 478 HA GLU 62 HA GLU 62 -6.822 2.724 12.275 479 1HB GLU 62 2HB GLU 62 -6.577 0.125 10.933 480 2HB GLU 62 1HB GLU 62 -5.039 0.656 11.585 481 1HG GLU 62 2HG GLU 62 -5.893 0.805 13.814 482 2HG GLU 62 1HG GLU 62 -7.560 0.820 13.273 483 H ILE 63 H ILE 63 -6.119 2.925 8.888 484 HA ILE 63 HA ILE 63 -3.527 3.196 8.525 485 HB ILE 63 HB ILE 63 -4.802 3.722 6.708 486 1HG1 ILE 63 2HG1 ILE 63 -4.380 6.177 6.157 487 2HG1 ILE 63 1HG1 ILE 63 -3.694 6.333 7.763 488 1HG2 ILE 63 1HG2 ILE 63 -6.927 4.129 7.558 489 2HG2 ILE 63 2HG2 ILE 63 -6.381 5.500 8.554 490 3HG2 ILE 63 3HG2 ILE 63 -6.494 5.674 6.786 491 1HD1 ILE 63 1HD1 ILE 63 -2.752 4.419 5.579 492 2HD1 ILE 63 2HD1 ILE 63 -1.898 5.866 6.166 493 3HD1 ILE 63 3HD1 ILE 63 -2.098 4.456 7.235 494 H ASP 64 H ASP 64 -2.099 3.727 10.137 495 HA ASP 64 HA ASP 64 -1.450 6.292 10.583 496 1HB ASP 64 2HB ASP 64 -3.445 6.822 11.773 497 2HB ASP 64 1HB ASP 64 -3.482 5.269 12.587 498 H THR 65 H THR 65 -1.882 2.987 11.853 499 HA THR 65 HA THR 65 0.881 3.059 12.838 500 HB THR 65 HB THR 65 -0.599 3.353 14.801 501 HG1 THR 65 1HG THR 65 1.272 1.706 14.611 502 1HG2 THR 65 1HG2 THR 65 -1.899 0.764 13.799 503 2HG2 THR 65 2HG2 THR 65 -2.175 1.487 15.402 504 3HG2 THR 65 3HG2 THR 65 -2.704 2.346 13.936 505 H LEU 66 H LEU 66 -1.967 1.117 11.794 506 HA LEU 66 HA LEU 66 -2.089 -0.742 10.611 507 1HB LEU 66 2HB LEU 66 -0.796 0.123 8.907 508 2HB LEU 66 1HB LEU 66 0.660 0.175 9.880 509 HG LEU 66 HG LEU 66 -0.508 -2.506 9.240 510 1HD1 LEU 66 1HD1 LEU 66 0.205 -0.583 7.214 511 2HD1 LEU 66 2HD1 LEU 66 1.332 -1.961 7.183 512 3HD1 LEU 66 3HD1 LEU 66 -0.420 -2.241 7.039 513 1HD2 LEU 66 1HD2 LEU 66 1.810 -1.569 10.496 514 2HD2 LEU 66 2HD2 LEU 66 1.440 -3.242 10.012 515 3HD2 LEU 66 3HD2 LEU 66 2.351 -2.177 8.913 516 HA PRO 67 HA PRO 67 -0.732 -3.404 13.818 517 1HB PRO 67 2HB PRO 67 -2.694 -5.283 13.524 518 2HB PRO 67 1HB PRO 67 -2.878 -3.853 14.519 519 1HG PRO 67 2HG PRO 67 -4.033 -4.420 11.858 520 2HG PRO 67 1HG PRO 67 -4.528 -3.222 13.036 521 1HD PRO 67 2HD PRO 67 -3.026 -2.753 10.637 522 2HD PRO 67 1HD PRO 67 -3.422 -1.575 11.872 523 H TYR 68 H TYR 68 1.053 -3.446 11.988 524 HA TYR 68 HA TYR 68 1.276 -5.291 10.111 525 1HB TYR 68 2HB TYR 68 3.691 -5.379 10.816 526 2HB TYR 68 1HB TYR 68 3.071 -3.752 11.014 527 HD1 TYR 68 1HD TYR 68 2.716 -2.798 13.242 528 HD2 TYR 68 2HD TYR 68 4.220 -6.774 12.762 529 HE1 TYR 68 1HE TYR 68 3.437 -2.827 15.680 530 HE2 TYR 68 2HE TYR 68 4.936 -6.791 15.202 531 HH TYR 68 HH TYR 68 5.568 -5.047 16.902 532 H LYS 69 H LYS 69 1.542 -5.999 13.651 533 HA LYS 69 HA LYS 69 1.494 -7.897 14.779 534 1HB LYS 69 2HB LYS 69 -0.787 -7.914 13.733 535 2HB LYS 69 1HB LYS 69 -0.164 -8.962 12.475 536 1HG LYS 69 2HG LYS 69 -0.969 -10.557 13.973 537 2HG LYS 69 1HG LYS 69 0.693 -10.439 14.514 538 1HD LYS 69 2HD LYS 69 0.110 -9.036 16.376 539 2HD LYS 69 1HD LYS 69 -1.470 -8.666 15.713 540 1HE LYS 69 2HE LYS 69 -2.273 -10.351 17.016 541 2HE LYS 69 1HE LYS 69 -1.523 -11.458 15.884 542 1HZ LYS 69 1HZ LYS 69 -0.908 -11.569 18.347 543 2HZ LYS 69 2HZ LYS 69 0.284 -11.715 17.241 544 3HZ LYS 69 3HZ LYS 69 0.073 -10.302 18.032 545 H ASN 70 H ASN 70 3.626 -8.536 14.890 546 HA ASN 70 HA ASN 70 4.775 -9.829 12.614 547 1HB ASN 70 2HB ASN 70 6.122 -8.289 14.061 548 2HB ASN 70 1HB ASN 70 5.861 -9.339 15.438 549 1HD2 ASN 70 1HD2 ASN 70 7.199 -10.961 15.809 550 2HD2 ASN 70 2HD2 ASN 70 8.443 -11.535 14.749 551 H GLY 71 H GLY 71 4.655 -12.062 12.322 552 1HA GLY 71 2HA GLY 71 5.240 -14.161 13.609 553 2HA GLY 71 1HA GLY 71 3.922 -13.702 14.667 Start of MODEL 2 1 H MET 1 H MET 1 -4.649 19.655 11.737 2 HA MET 1 HA MET 1 -2.349 20.114 10.610 3 1HB MET 1 2HB MET 1 -3.240 20.146 13.496 4 2HB MET 1 1HB MET 1 -1.534 20.423 13.209 5 1HG MET 1 2HG MET 1 -2.052 22.307 11.689 6 2HG MET 1 1HG MET 1 -3.769 21.988 11.828 7 1HE MET 1 1HE MET 1 -0.563 22.680 13.418 8 2HE MET 1 2HE MET 1 -0.884 23.973 14.598 9 3HE MET 1 3HE MET 1 -0.996 22.268 15.095 10 H SER 2 H SER 2 -2.105 17.630 9.873 11 HA SER 2 HA SER 2 0.355 16.829 10.730 12 1HB SER 2 2HB SER 2 -1.451 16.161 12.716 13 2HB SER 2 1HB SER 2 -1.428 14.688 11.766 14 HG SER 2 HG SER 2 0.742 15.981 13.141 15 H THR 3 H THR 3 0.799 14.417 9.931 16 HA THR 3 HA THR 3 -0.934 13.942 7.594 17 HB THR 3 HB THR 3 1.210 14.842 6.858 18 HG1 THR 3 1HG THR 3 1.806 12.939 5.665 19 1HG2 THR 3 1HG2 THR 3 3.138 12.951 7.594 20 2HG2 THR 3 2HG2 THR 3 2.999 14.589 8.278 21 3HG2 THR 3 3HG2 THR 3 2.239 13.209 9.107 22 H LYS 4 H LYS 4 -1.066 11.698 6.846 23 HA LYS 4 HA LYS 4 -0.211 9.670 8.683 24 1HB LYS 4 2HB LYS 4 -2.873 10.819 8.923 25 2HB LYS 4 1HB LYS 4 -2.953 9.113 8.535 26 1HG LYS 4 2HG LYS 4 -2.107 8.478 10.568 27 2HG LYS 4 1HG LYS 4 -0.887 9.736 10.564 28 1HD LYS 4 2HD LYS 4 -2.534 11.416 11.285 29 2HD LYS 4 1HD LYS 4 -3.842 10.259 11.133 30 1HE LYS 4 2HE LYS 4 -3.497 9.707 13.309 31 2HE LYS 4 1HE LYS 4 -1.990 8.960 12.817 32 1HZ LYS 4 1HZ LYS 4 -1.372 11.570 12.931 33 2HZ LYS 4 2HZ LYS 4 -2.411 11.415 14.181 34 3HZ LYS 4 3HZ LYS 4 -1.072 10.482 14.111 35 H LEU 5 H LEU 5 0.897 8.749 6.948 36 HA LEU 5 HA LEU 5 -0.713 7.189 5.201 37 1HB LEU 5 2HB LEU 5 -0.248 8.133 3.134 38 2HB LEU 5 1HB LEU 5 -0.744 9.480 4.140 39 HG LEU 5 HG LEU 5 2.129 8.780 3.471 40 1HD1 LEU 5 1HD1 LEU 5 0.117 10.541 2.147 41 2HD1 LEU 5 2HD1 LEU 5 1.802 11.108 2.238 42 3HD1 LEU 5 3HD1 LEU 5 1.425 9.559 1.447 43 1HD2 LEU 5 1HD2 LEU 5 2.000 11.432 4.290 44 2HD2 LEU 5 2HD2 LEU 5 0.939 10.571 5.431 45 3HD2 LEU 5 3HD2 LEU 5 2.630 10.054 5.223 46 H TYR 6 H TYR 6 0.411 5.366 4.567 47 HA TYR 6 HA TYR 6 3.308 5.420 4.703 48 1HB TYR 6 2HB TYR 6 2.380 4.892 7.027 49 2HB TYR 6 1HB TYR 6 1.439 3.587 6.333 50 HD1 TYR 6 1HD TYR 6 2.303 1.636 7.294 51 HD2 TYR 6 2HD TYR 6 5.004 4.536 5.683 52 HE1 TYR 6 1HE TYR 6 4.248 0.043 7.669 53 HE2 TYR 6 2HE TYR 6 6.940 2.933 6.063 54 HH TYR 6 HH TYR 6 7.254 0.884 7.856 55 H GLY 7 H GLY 7 3.745 4.684 2.670 56 1HA GLY 7 2HA GLY 7 4.018 3.014 1.131 57 2HA GLY 7 1HA GLY 7 2.857 2.014 1.982 58 H ASP 8 H ASP 8 2.843 5.260 0.325 59 HA ASP 8 HA ASP 8 0.234 4.568 -0.710 60 1HB ASP 8 2HB ASP 8 1.838 7.122 -0.432 61 2HB ASP 8 1HB ASP 8 0.537 7.064 -1.604 62 H VAL 9 H VAL 9 -0.189 4.851 -3.078 63 HA VAL 9 HA VAL 9 2.205 4.246 -4.632 64 HB VAL 9 HB VAL 9 -0.149 2.981 -4.508 65 1HG1 VAL 9 1HG1 VAL 9 -0.479 4.957 -6.792 66 2HG1 VAL 9 2HG1 VAL 9 -1.507 3.534 -6.500 67 3HG1 VAL 9 3HG1 VAL 9 -1.474 4.864 -5.318 68 1HG2 VAL 9 1HG2 VAL 9 1.992 2.387 -5.749 69 2HG2 VAL 9 2HG2 VAL 9 0.473 1.826 -6.489 70 3HG2 VAL 9 3HG2 VAL 9 1.311 3.252 -7.148 71 H ASN 10 H ASN 10 -0.665 6.450 -4.551 72 HA ASN 10 HA ASN 10 0.780 8.115 -6.456 73 1HB ASN 10 2HB ASN 10 -1.693 9.216 -6.484 74 2HB ASN 10 1HB ASN 10 -1.289 7.841 -7.492 75 1HD2 ASN 10 1HD2 ASN 10 -3.352 7.053 -7.552 76 2HD2 ASN 10 2HD2 ASN 10 -4.144 6.302 -6.207 77 H ASP 11 H ASP 11 0.844 7.787 -3.321 78 HA ASP 11 HA ASP 11 0.911 9.010 -1.527 79 1HB ASP 11 2HB ASP 11 2.668 10.166 -2.853 80 2HB ASP 11 1HB ASP 11 1.467 11.242 -3.538 81 H ASP 12 H ASP 12 -1.664 8.592 -1.840 82 HA ASP 12 HA ASP 12 -2.921 11.225 -1.830 83 1HB ASP 12 2HB ASP 12 -4.854 10.310 -2.832 84 2HB ASP 12 1HB ASP 12 -3.552 9.499 -3.678 85 H GLY 13 H GLY 13 -3.043 7.802 -0.601 86 1HA GLY 13 2HA GLY 13 -3.731 8.792 2.059 87 2HA GLY 13 1HA GLY 13 -4.894 7.736 1.280 88 H LYS 14 H LYS 14 -3.520 5.790 0.003 89 HA LYS 14 HA LYS 14 -1.222 4.820 1.183 90 1HB LYS 14 2HB LYS 14 -2.354 2.941 2.563 91 2HB LYS 14 1HB LYS 14 -2.135 4.521 3.288 92 1HG LYS 14 2HG LYS 14 -4.389 3.989 3.796 93 2HG LYS 14 1HG LYS 14 -4.525 5.072 2.426 94 1HD LYS 14 2HD LYS 14 -4.268 2.582 1.191 95 2HD LYS 14 1HD LYS 14 -5.199 2.192 2.624 96 1HE LYS 14 2HE LYS 14 -5.899 4.317 0.543 97 2HE LYS 14 1HE LYS 14 -6.716 2.784 0.771 98 1HZ LYS 14 1HZ LYS 14 -6.808 3.868 3.214 99 2HZ LYS 14 2HZ LYS 14 -6.961 5.192 2.271 100 3HZ LYS 14 3HZ LYS 14 -8.012 3.952 2.115 101 H VAL 15 H VAL 15 -0.772 2.553 0.481 102 HA VAL 15 HA VAL 15 -1.916 2.151 -2.105 103 HB VAL 15 HB VAL 15 0.465 1.831 -1.576 104 1HG1 VAL 15 1HG1 VAL 15 0.092 -0.823 -0.344 105 2HG1 VAL 15 2HG1 VAL 15 1.264 0.464 0.027 106 3HG1 VAL 15 3HG1 VAL 15 -0.386 0.545 0.689 107 1HG2 VAL 15 1HG2 VAL 15 -0.716 -0.826 -2.412 108 2HG2 VAL 15 2HG2 VAL 15 -0.783 0.616 -3.454 109 3HG2 VAL 15 3HG2 VAL 15 0.791 -0.053 -2.963 110 H ASN 16 H ASN 16 -3.886 1.249 -2.388 111 HA ASN 16 HA ASN 16 -4.422 -1.152 -0.875 112 1HB ASN 16 2HB ASN 16 -6.762 -0.391 -0.386 113 2HB ASN 16 1HB ASN 16 -5.575 0.630 0.403 114 1HD2 ASN 16 1HD2 ASN 16 -4.796 2.518 -0.965 115 2HD2 ASN 16 2HD2 ASN 16 -6.002 3.438 -1.802 116 H SER 17 H SER 17 -7.034 -1.656 -1.829 117 HA SER 17 HA SER 17 -6.619 -2.614 -4.318 118 1HB SER 17 2HB SER 17 -8.498 -3.492 -3.254 119 2HB SER 17 1HB SER 17 -9.067 -1.925 -2.715 120 HG SER 17 HG SER 17 -9.140 -2.906 -5.442 121 H THR 18 H THR 18 -7.244 0.684 -3.331 122 HA THR 18 HA THR 18 -8.284 1.551 -5.866 123 HB THR 18 HB THR 18 -7.258 2.986 -3.361 124 HG1 THR 18 1HG THR 18 -9.903 2.595 -4.562 125 1HG2 THR 18 1HG2 THR 18 -8.669 3.999 -5.878 126 2HG2 THR 18 2HG2 THR 18 -8.735 4.869 -4.327 127 3HG2 THR 18 3HG2 THR 18 -7.173 4.629 -5.147 128 H ASP 19 H ASP 19 -5.094 1.383 -4.258 129 HA ASP 19 HA ASP 19 -3.903 2.895 -6.360 130 1HB ASP 19 2HB ASP 19 -2.805 1.315 -3.996 131 2HB ASP 19 1HB ASP 19 -1.747 2.088 -5.159 132 H ALA 20 H ALA 20 -5.283 -0.048 -6.403 133 HA ALA 20 HA ALA 20 -3.291 -1.847 -7.165 134 1HB ALA 20 1HB ALA 20 -5.430 -2.676 -6.525 135 2HB ALA 20 2HB ALA 20 -6.271 -1.635 -7.699 136 3HB ALA 20 3HB ALA 20 -5.296 -3.011 -8.269 137 H VAL 21 H VAL 21 -4.675 0.930 -8.765 138 HA VAL 21 HA VAL 21 -4.280 0.065 -11.425 139 HB VAL 21 HB VAL 21 -4.669 2.714 -10.056 140 1HG1 VAL 21 1HG1 VAL 21 -5.033 3.120 -12.816 141 2HG1 VAL 21 2HG1 VAL 21 -3.759 3.804 -11.779 142 3HG1 VAL 21 3HG1 VAL 21 -3.469 2.283 -12.658 143 1HG2 VAL 21 1HG2 VAL 21 -6.847 2.449 -10.545 144 2HG2 VAL 21 2HG2 VAL 21 -6.504 1.862 -12.190 145 3HG2 VAL 21 3HG2 VAL 21 -6.433 0.738 -10.810 146 H ALA 22 H ALA 22 -2.386 2.338 -9.304 147 HA ALA 22 HA ALA 22 -0.235 2.515 -11.093 148 1HB ALA 22 1HB ALA 22 -0.683 4.185 -9.366 149 2HB ALA 22 2HB ALA 22 -0.428 2.974 -8.088 150 3HB ALA 22 3HB ALA 22 0.934 3.488 -9.112 151 H LEU 23 H LEU 23 -1.114 0.216 -8.508 152 HA LEU 23 HA LEU 23 1.443 -0.976 -8.333 153 1HB LEU 23 2HB LEU 23 0.113 -1.277 -6.479 154 2HB LEU 23 1HB LEU 23 -1.324 -1.631 -7.418 155 HG LEU 23 HG LEU 23 0.666 -3.662 -7.909 156 1HD1 LEU 23 1HD1 LEU 23 0.100 -3.028 -5.009 157 2HD1 LEU 23 2HD1 LEU 23 0.607 -4.640 -5.570 158 3HD1 LEU 23 3HD1 LEU 23 1.673 -3.236 -5.815 159 1HD2 LEU 23 1HD2 LEU 23 -2.166 -3.466 -7.004 160 2HD2 LEU 23 2HD2 LEU 23 -1.446 -4.377 -8.354 161 3HD2 LEU 23 3HD2 LEU 23 -1.294 -4.985 -6.687 162 H LYS 24 H LYS 24 -1.637 -2.016 -9.961 163 HA LYS 24 HA LYS 24 -0.759 -4.280 -11.142 164 1HB LYS 24 2HB LYS 24 -3.068 -3.378 -11.205 165 2HB LYS 24 1HB LYS 24 -2.568 -2.193 -12.395 166 1HG LYS 24 2HG LYS 24 -2.664 -3.711 -14.088 167 2HG LYS 24 1HG LYS 24 -1.709 -4.877 -13.194 168 1HD LYS 24 2HD LYS 24 -4.608 -4.424 -12.429 169 2HD LYS 24 1HD LYS 24 -4.230 -5.425 -13.817 170 1HE LYS 24 2HE LYS 24 -3.976 -7.142 -12.344 171 2HE LYS 24 1HE LYS 24 -2.457 -6.394 -11.889 172 1HZ LYS 24 1HZ LYS 24 -3.771 -5.064 -10.280 173 2HZ LYS 24 2HZ LYS 24 -5.066 -6.003 -10.608 174 3HZ LYS 24 3HZ LYS 24 -3.724 -6.664 -9.953 175 H ARG 25 H ARG 25 0.227 -0.966 -11.826 176 HA ARG 25 HA ARG 25 1.406 -1.749 -14.316 177 1HB ARG 25 2HB ARG 25 0.808 0.781 -12.893 178 2HB ARG 25 1HB ARG 25 2.368 0.812 -13.691 179 1HG ARG 25 2HG ARG 25 1.263 1.277 -15.619 180 2HG ARG 25 1HG ARG 25 0.693 -0.381 -15.604 181 1HD ARG 25 2HD ARG 25 -1.072 0.807 -13.827 182 2HD ARG 25 1HD ARG 25 -0.771 2.127 -14.940 183 HE ARG 25 HE ARG 25 -1.287 -0.387 -16.329 184 1HH1 ARG 25 2HH2 ARG 25 -2.816 2.375 -14.772 185 2HH1 ARG 25 1HH2 ARG 25 -4.295 2.219 -15.661 186 1HH2 ARG 25 2HH1 ARG 25 -3.238 -0.593 -17.500 187 2HH2 ARG 25 1HH1 ARG 25 -4.537 0.519 -17.222 188 H TYR 26 H TYR 26 2.334 -0.936 -10.942 189 HA TYR 26 HA TYR 26 5.125 -0.886 -11.429 190 1HB TYR 26 2HB TYR 26 4.014 0.189 -9.479 191 2HB TYR 26 1HB TYR 26 3.264 -1.326 -9.018 192 HD1 TYR 26 1HD TYR 26 6.771 -0.159 -9.730 193 HD2 TYR 26 2HD TYR 26 4.138 -2.269 -7.098 194 HE1 TYR 26 1HE TYR 26 8.716 -0.656 -8.171 195 HE2 TYR 26 2HE TYR 26 6.093 -2.758 -5.548 196 HH TYR 26 HH TYR 26 8.311 -1.661 -5.049 197 H VAL 27 H VAL 27 2.752 -3.442 -11.027 198 HA VAL 27 HA VAL 27 4.793 -5.364 -10.273 199 HB VAL 27 HB VAL 27 1.843 -5.746 -10.818 200 1HG1 VAL 27 1HG1 VAL 27 3.633 -7.472 -9.099 201 2HG1 VAL 27 2HG1 VAL 27 2.031 -7.849 -9.776 202 3HG1 VAL 27 3HG1 VAL 27 3.450 -7.752 -10.847 203 1HG2 VAL 27 1HG2 VAL 27 2.459 -4.070 -8.974 204 2HG2 VAL 27 2HG2 VAL 27 1.385 -5.417 -8.529 205 3HG2 VAL 27 3HG2 VAL 27 3.107 -5.469 -8.085 206 H LEU 28 H LEU 28 2.629 -4.492 -13.020 207 HA LEU 28 HA LEU 28 3.616 -6.652 -14.619 208 1HB LEU 28 2HB LEU 28 1.308 -5.701 -14.722 209 2HB LEU 28 1HB LEU 28 1.982 -4.244 -15.423 210 HG LEU 28 HG LEU 28 2.899 -6.527 -16.924 211 1HD1 LEU 28 1HD1 LEU 28 0.332 -6.798 -17.785 212 2HD1 LEU 28 2HD1 LEU 28 1.153 -7.915 -16.669 213 3HD1 LEU 28 3HD1 LEU 28 0.091 -6.638 -16.028 214 1HD2 LEU 28 1HD2 LEU 28 2.932 -4.705 -18.234 215 2HD2 LEU 28 2HD2 LEU 28 1.249 -5.157 -18.593 216 3HD2 LEU 28 3HD2 LEU 28 1.594 -3.918 -17.362 217 H ARG 29 H ARG 29 4.040 -3.058 -14.496 218 HA ARG 29 HA ARG 29 6.013 -3.230 -16.545 219 1HB ARG 29 2HB ARG 29 4.361 -1.266 -16.099 220 2HB ARG 29 1HB ARG 29 5.417 -0.815 -14.775 221 1HG ARG 29 2HG ARG 29 6.934 -1.326 -17.248 222 2HG ARG 29 1HG ARG 29 5.718 -0.086 -17.482 223 1HD ARG 29 2HD ARG 29 6.592 1.098 -15.417 224 2HD ARG 29 1HD ARG 29 7.860 -0.105 -15.300 225 HE ARG 29 HE ARG 29 7.859 0.991 -17.955 226 1HH1 ARG 29 2HH2 ARG 29 8.671 1.872 -14.646 227 2HH1 ARG 29 1HH2 ARG 29 9.875 3.026 -15.113 228 1HH2 ARG 29 2HH1 ARG 29 9.447 2.514 -18.571 229 2HH2 ARG 29 1HH1 ARG 29 10.320 3.394 -17.360 230 H SER 30 H SER 30 8.266 -2.262 -16.185 231 HA SER 30 HA SER 30 9.702 -3.615 -14.426 232 1HB SER 30 2HB SER 30 10.084 -1.255 -16.051 233 2HB SER 30 1HB SER 30 10.906 -1.007 -14.524 234 HG SER 30 HG SER 30 11.259 -3.555 -15.714 235 H GLY 31 H GLY 31 9.095 -0.081 -13.804 236 1HA GLY 31 2HA GLY 31 8.187 -0.624 -11.109 237 2HA GLY 31 1HA GLY 31 9.783 0.091 -11.210 238 H ILE 32 H ILE 32 6.315 0.546 -11.961 239 HA ILE 32 HA ILE 32 6.511 3.054 -13.152 240 HB ILE 32 HB ILE 32 4.556 1.456 -13.074 241 1HG1 ILE 32 2HG1 ILE 32 4.324 4.434 -12.688 242 2HG1 ILE 32 1HG1 ILE 32 4.201 3.498 -14.165 243 1HG2 ILE 32 1HG2 ILE 32 3.441 1.024 -11.199 244 2HG2 ILE 32 2HG2 ILE 32 4.763 1.830 -10.322 245 3HG2 ILE 32 3HG2 ILE 32 3.313 2.752 -10.790 246 1HD1 ILE 32 1HD1 ILE 32 1.950 3.575 -13.882 247 2HD1 ILE 32 2HD1 ILE 32 2.174 2.423 -12.544 248 3HD1 ILE 32 3HD1 ILE 32 2.115 4.171 -12.212 249 H SER 33 H SER 33 6.060 5.195 -12.265 250 HA SER 33 HA SER 33 7.611 5.709 -10.041 251 1HB SER 33 2HB SER 33 5.656 7.278 -11.707 252 2HB SER 33 1HB SER 33 6.166 7.977 -10.183 253 HG SER 33 HG SER 33 7.976 8.560 -11.149 254 H ILE 34 H ILE 34 7.174 5.299 -7.908 255 HA ILE 34 HA ILE 34 4.564 5.930 -6.875 256 HB ILE 34 HB ILE 34 4.281 3.687 -5.843 257 1HG1 ILE 34 2HG1 ILE 34 6.086 2.507 -7.919 258 2HG1 ILE 34 1HG1 ILE 34 6.812 3.145 -6.457 259 1HG2 ILE 34 1HG2 ILE 34 3.076 4.507 -7.903 260 2HG2 ILE 34 2HG2 ILE 34 4.241 3.566 -8.865 261 3HG2 ILE 34 3HG2 ILE 34 3.166 2.740 -7.711 262 1HD1 ILE 34 1HD1 ILE 34 5.773 0.609 -6.690 263 2HD1 ILE 34 2HD1 ILE 34 5.964 1.472 -5.144 264 3HD1 ILE 34 3HD1 ILE 34 4.393 1.483 -5.981 265 H ASN 35 H ASN 35 4.688 5.096 -4.340 266 HA ASN 35 HA ASN 35 7.204 6.260 -3.470 267 1HB ASN 35 2HB ASN 35 4.760 5.812 -1.707 268 2HB ASN 35 1HB ASN 35 6.049 6.979 -1.485 269 1HD2 ASN 35 1HD2 ASN 35 3.316 6.071 -3.519 270 2HD2 ASN 35 2HD2 ASN 35 2.934 7.650 -4.120 271 H THR 36 H THR 36 7.708 3.725 -4.167 272 HA THR 36 HA THR 36 6.925 1.687 -2.416 273 HB THR 36 HB THR 36 7.885 1.337 -4.686 274 HG1 THR 36 1HG THR 36 9.702 0.463 -2.557 275 1HG2 THR 36 1HG2 THR 36 10.005 3.054 -3.630 276 2HG2 THR 36 2HG2 THR 36 10.676 1.477 -4.112 277 3HG2 THR 36 3HG2 THR 36 9.780 2.462 -5.294 278 H ASP 37 H ASP 37 8.923 4.424 -1.860 279 HA ASP 37 HA ASP 37 10.943 3.672 -0.367 280 1HB ASP 37 2HB ASP 37 8.921 5.864 -0.116 281 2HB ASP 37 1HB ASP 37 9.912 5.598 1.305 282 H ASN 38 H ASN 38 7.610 4.219 1.031 283 HA ASN 38 HA ASN 38 8.288 2.194 3.019 284 1HB ASN 38 2HB ASN 38 6.266 3.594 4.228 285 2HB ASN 38 1HB ASN 38 7.960 3.983 4.452 286 1HD2 ASN 38 1HD2 ASN 38 5.073 5.291 3.886 287 2HD2 ASN 38 2HD2 ASN 38 5.481 6.705 2.972 288 H ALA 39 H ALA 39 7.231 1.380 0.557 289 HA ALA 39 HA ALA 39 4.351 1.092 1.051 290 1HB ALA 39 1HB ALA 39 4.047 1.019 -1.246 291 2HB ALA 39 2HB ALA 39 5.450 2.108 -1.140 292 3HB ALA 39 3HB ALA 39 5.684 0.393 -1.553 293 H ASP 40 H ASP 40 7.241 -0.723 -0.214 294 HA ASP 40 HA ASP 40 5.956 -3.192 0.129 295 1HB ASP 40 2HB ASP 40 8.008 -2.488 -1.368 296 2HB ASP 40 1HB ASP 40 8.968 -2.798 0.065 297 H LEU 41 H LEU 41 5.707 -4.308 2.073 298 HA LEU 41 HA LEU 41 7.664 -3.748 4.185 299 1HB LEU 41 2HB LEU 41 4.775 -4.285 4.784 300 2HB LEU 41 1HB LEU 41 6.011 -3.594 5.818 301 HG LEU 41 HG LEU 41 5.340 -2.040 3.376 302 1HD1 LEU 41 1HD1 LEU 41 3.242 -3.020 5.021 303 2HD1 LEU 41 2HD1 LEU 41 3.441 -1.286 5.372 304 3HD1 LEU 41 3HD1 LEU 41 3.158 -1.830 3.701 305 1HD2 LEU 41 1HD2 LEU 41 6.201 -0.330 4.534 306 2HD2 LEU 41 2HD2 LEU 41 5.312 -0.754 6.018 307 3HD2 LEU 41 3HD2 LEU 41 6.835 -1.586 5.623 308 H ASN 42 H ASN 42 6.805 -5.916 1.950 309 HA ASN 42 HA ASN 42 7.370 -8.100 3.774 310 1HB ASN 42 2HB ASN 42 5.501 -8.580 1.439 311 2HB ASN 42 1HB ASN 42 5.627 -9.473 2.941 312 1HD2 ASN 42 1HD2 ASN 42 4.201 -9.109 4.466 313 2HD2 ASN 42 2HD2 ASN 42 3.133 -7.752 4.593 314 H GLU 43 H GLU 43 8.641 -6.266 1.520 315 HA GLU 43 HA GLU 43 9.994 -6.439 -0.172 316 1HB GLU 43 2HB GLU 43 10.535 -8.839 1.478 317 2HB GLU 43 1HB GLU 43 11.101 -8.990 -0.174 318 1HG GLU 43 2HG GLU 43 11.771 -6.336 0.744 319 2HG GLU 43 1HG GLU 43 12.270 -7.472 1.981 320 H ASP 44 H ASP 44 7.228 -7.014 -0.743 321 HA ASP 44 HA ASP 44 7.526 -9.057 -2.799 322 1HB ASP 44 2HB ASP 44 5.113 -9.345 -2.707 323 2HB ASP 44 1HB ASP 44 5.736 -9.433 -1.072 324 H GLY 45 H GLY 45 6.512 -5.723 -1.949 325 1HA GLY 45 2HA GLY 45 7.178 -4.316 -4.059 326 2HA GLY 45 1HA GLY 45 5.772 -5.127 -4.718 327 H ARG 46 H ARG 46 3.695 -5.013 -3.320 328 HA ARG 46 HA ARG 46 3.626 -2.767 -1.561 329 1HB ARG 46 2HB ARG 46 1.606 -2.639 -3.798 330 2HB ARG 46 1HB ARG 46 2.255 -1.335 -2.824 331 1HG ARG 46 2HG ARG 46 4.459 -1.561 -3.997 332 2HG ARG 46 1HG ARG 46 3.801 -2.859 -4.976 333 1HD ARG 46 2HD ARG 46 3.803 -0.475 -6.010 334 2HD ARG 46 1HD ARG 46 2.324 -1.405 -6.148 335 HE ARG 46 HE ARG 46 1.259 0.184 -4.816 336 1HH1 ARG 46 2HH2 ARG 46 4.722 0.347 -4.204 337 2HH1 ARG 46 1HH2 ARG 46 4.600 1.715 -3.149 338 1HH2 ARG 46 2HH1 ARG 46 1.099 1.989 -3.423 339 2HH2 ARG 46 1HH1 ARG 46 2.525 2.656 -2.701 340 H VAL 47 H VAL 47 1.235 -4.528 -3.677 341 HA VAL 47 HA VAL 47 0.172 -5.809 -1.281 342 HB VAL 47 HB VAL 47 -2.087 -5.198 -1.835 343 1HG1 VAL 47 1HG1 VAL 47 -0.372 -2.693 -1.827 344 2HG1 VAL 47 2HG1 VAL 47 -2.050 -2.849 -1.257 345 3HG1 VAL 47 3HG1 VAL 47 -0.735 -3.680 -0.391 346 1HG2 VAL 47 1HG2 VAL 47 -0.991 -4.583 -4.395 347 2HG2 VAL 47 2HG2 VAL 47 -2.697 -4.587 -3.890 348 3HG2 VAL 47 3HG2 VAL 47 -1.731 -3.100 -3.748 349 H ASN 48 H ASN 48 1.541 -7.518 -2.395 350 HA ASN 48 HA ASN 48 0.954 -8.423 -4.911 351 1HB ASN 48 2HB ASN 48 2.310 -9.451 -2.482 352 2HB ASN 48 1HB ASN 48 1.607 -10.736 -3.445 353 1HD2 ASN 48 1HD2 ASN 48 3.395 -7.685 -3.888 354 2HD2 ASN 48 2HD2 ASN 48 4.494 -8.248 -5.101 355 H SER 49 H SER 49 -0.477 -9.156 -1.678 356 HA SER 49 HA SER 49 -2.977 -9.601 -2.457 357 1HB SER 49 2HB SER 49 -1.287 -11.994 -3.057 358 2HB SER 49 1HB SER 49 -2.812 -12.323 -2.258 359 HG SER 49 HG SER 49 -3.533 -10.629 -4.111 360 H THR 50 H THR 50 -0.218 -10.665 -0.483 361 HA THR 50 HA THR 50 -1.931 -11.441 1.726 362 HB THR 50 HB THR 50 1.078 -11.392 1.193 363 HG1 THR 50 1HG THR 50 0.398 -13.380 0.502 364 1HG2 THR 50 1HG2 THR 50 1.529 -11.922 3.382 365 2HG2 THR 50 2HG2 THR 50 -0.048 -11.183 3.750 366 3HG2 THR 50 3HG2 THR 50 0.077 -12.942 3.510 367 H ASP 51 H ASP 51 -0.193 -8.619 0.551 368 HA ASP 51 HA ASP 51 -0.216 -7.402 3.137 369 1HB ASP 51 2HB ASP 51 0.179 -5.712 0.709 370 2HB ASP 51 1HB ASP 51 1.129 -5.782 2.181 371 H LEU 52 H LEU 52 -1.953 -7.252 -0.024 372 HA LEU 52 HA LEU 52 -3.412 -5.025 0.122 373 1HB LEU 52 2HB LEU 52 -4.206 -6.004 -1.679 374 2HB LEU 52 1HB LEU 52 -3.609 -7.565 -1.150 375 HG LEU 52 HG LEU 52 -5.770 -7.692 0.273 376 1HD1 LEU 52 1HD1 LEU 52 -6.577 -5.531 -1.693 377 2HD1 LEU 52 2HD1 LEU 52 -7.679 -6.435 -0.626 378 3HD1 LEU 52 3HD1 LEU 52 -6.443 -5.363 0.075 379 1HD2 LEU 52 1HD2 LEU 52 -5.328 -8.173 -2.605 380 2HD2 LEU 52 2HD2 LEU 52 -5.881 -9.273 -1.319 381 3HD2 LEU 52 3HD2 LEU 52 -7.032 -8.156 -2.090 382 H GLY 53 H GLY 53 -4.068 -8.069 1.958 383 1HA GLY 53 2HA GLY 53 -6.445 -7.266 3.174 384 2HA GLY 53 1HA GLY 53 -5.310 -8.452 3.788 385 H ILE 54 H ILE 54 -3.404 -7.667 5.065 386 HA ILE 54 HA ILE 54 -4.053 -6.144 7.169 387 HB ILE 54 HB ILE 54 -1.704 -7.270 6.059 388 1HG1 ILE 54 2HG1 ILE 54 -2.563 -6.324 8.792 389 2HG1 ILE 54 1HG1 ILE 54 -2.488 -7.961 8.174 390 1HG2 ILE 54 1HG2 ILE 54 -1.298 -4.448 7.082 391 2HG2 ILE 54 2HG2 ILE 54 -0.005 -5.655 6.880 392 3HG2 ILE 54 3HG2 ILE 54 -0.912 -5.075 5.462 393 1HD1 ILE 54 1HD1 ILE 54 -0.217 -6.156 9.034 394 2HD1 ILE 54 2HD1 ILE 54 -0.545 -7.845 9.493 395 3HD1 ILE 54 3HD1 ILE 54 0.089 -7.470 7.872 396 H LEU 55 H LEU 55 -2.887 -4.986 3.977 397 HA LEU 55 HA LEU 55 -2.522 -2.321 4.720 398 1HB LEU 55 2HB LEU 55 -2.934 -3.809 2.166 399 2HB LEU 55 1HB LEU 55 -3.070 -2.061 2.146 400 HG LEU 55 HG LEU 55 -0.793 -3.227 1.614 401 1HD1 LEU 55 1HD1 LEU 55 0.073 -1.172 1.743 402 2HD1 LEU 55 2HD1 LEU 55 -1.527 -0.683 2.352 403 3HD1 LEU 55 3HD1 LEU 55 -0.215 -1.055 3.496 404 1HD2 LEU 55 1HD2 LEU 55 -0.795 -3.260 4.641 405 2HD2 LEU 55 2HD2 LEU 55 -0.583 -4.637 3.532 406 3HD2 LEU 55 3HD2 LEU 55 0.671 -3.378 3.638 407 H LYS 56 H LYS 56 -5.336 -3.868 3.008 408 HA LYS 56 HA LYS 56 -6.941 -1.563 3.340 409 1HB LYS 56 2HB LYS 56 -8.644 -2.822 2.283 410 2HB LYS 56 1HB LYS 56 -7.140 -3.297 1.522 411 1HG LYS 56 2HG LYS 56 -7.457 -5.458 2.129 412 2HG LYS 56 1HG LYS 56 -7.573 -5.006 3.818 413 1HD LYS 56 2HD LYS 56 -10.001 -4.394 3.447 414 2HD LYS 56 1HD LYS 56 -9.861 -4.957 1.793 415 1HE LYS 56 2HE LYS 56 -8.844 -6.972 3.669 416 2HE LYS 56 1HE LYS 56 -10.489 -6.520 4.071 417 1HZ LYS 56 1HZ LYS 56 -10.321 -8.307 2.428 418 2HZ LYS 56 2HZ LYS 56 -11.158 -7.022 1.865 419 3HZ LYS 56 3HZ LYS 56 -9.623 -7.277 1.368 420 H ARG 57 H ARG 57 -5.759 -3.762 5.585 421 HA ARG 57 HA ARG 57 -8.185 -3.822 7.126 422 1HB ARG 57 2HB ARG 57 -5.896 -5.497 6.903 423 2HB ARG 57 1HB ARG 57 -5.796 -4.811 8.513 424 1HG ARG 57 2HG ARG 57 -8.181 -5.515 8.933 425 2HG ARG 57 1HG ARG 57 -8.221 -6.256 7.345 426 1HD ARG 57 2HD ARG 57 -5.901 -7.352 8.440 427 2HD ARG 57 1HD ARG 57 -6.946 -7.226 9.842 428 HE ARG 57 HE ARG 57 -8.469 -8.312 7.673 429 1HH1 ARG 57 2HH2 ARG 57 -5.844 -9.202 9.841 430 2HH1 ARG 57 1HH2 ARG 57 -6.189 -10.899 9.768 431 1HH2 ARG 57 2HH1 ARG 57 -8.923 -10.549 7.576 432 2HH2 ARG 57 1HH1 ARG 57 -7.952 -11.669 8.471 433 H TYR 58 H TYR 58 -4.721 -2.763 7.528 434 HA TYR 58 HA TYR 58 -5.255 -1.341 9.921 435 1HB TYR 58 2HB TYR 58 -2.921 -1.236 9.818 436 2HB TYR 58 1HB TYR 58 -3.084 -2.316 8.448 437 HD1 TYR 58 1HD TYR 58 -3.315 1.373 9.139 438 HD2 TYR 58 2HD TYR 58 -1.958 -1.721 6.515 439 HE1 TYR 58 1HE TYR 58 -2.238 3.115 7.631 440 HE2 TYR 58 2HE TYR 58 -0.886 0.031 5.015 441 HH TYR 58 HH TYR 58 -0.151 2.180 5.004 442 H ILE 59 H ILE 59 -5.298 -0.547 6.444 443 HA ILE 59 HA ILE 59 -5.320 2.274 6.907 444 HB ILE 59 HB ILE 59 -5.542 2.475 4.565 445 1HG1 ILE 59 2HG1 ILE 59 -5.794 0.046 3.357 446 2HG1 ILE 59 1HG1 ILE 59 -6.821 -0.190 4.757 447 1HG2 ILE 59 1HG2 ILE 59 -3.839 0.541 3.842 448 2HG2 ILE 59 2HG2 ILE 59 -3.351 1.952 4.812 449 3HG2 ILE 59 3HG2 ILE 59 -3.690 0.398 5.611 450 1HD1 ILE 59 1HD1 ILE 59 -7.137 1.718 2.463 451 2HD1 ILE 59 2HD1 ILE 59 -8.372 0.793 3.351 452 3HD1 ILE 59 3HD1 ILE 59 -7.688 2.275 4.061 453 H LEU 60 H LEU 60 -7.509 -0.112 7.653 454 HA LEU 60 HA LEU 60 -9.897 1.034 6.654 455 1HB LEU 60 2HB LEU 60 -9.403 -1.362 7.438 456 2HB LEU 60 1HB LEU 60 -9.657 -0.752 9.061 457 HG LEU 60 HG LEU 60 -11.918 0.160 7.893 458 1HD1 LEU 60 1HD1 LEU 60 -12.582 -0.900 6.044 459 2HD1 LEU 60 2HD1 LEU 60 -10.879 -1.384 5.858 460 3HD1 LEU 60 3HD1 LEU 60 -12.036 -2.485 6.645 461 1HD2 LEU 60 1HD2 LEU 60 -12.967 -2.027 8.754 462 2HD2 LEU 60 2HD2 LEU 60 -11.311 -2.467 9.236 463 3HD2 LEU 60 3HD2 LEU 60 -12.075 -1.006 9.906 464 H LYS 61 H LYS 61 -7.852 1.525 9.527 465 HA LYS 61 HA LYS 61 -8.933 4.039 10.026 466 1HB LYS 61 2HB LYS 61 -10.319 3.762 11.909 467 2HB LYS 61 1HB LYS 61 -10.905 2.609 10.727 468 1HG LYS 61 2HG LYS 61 -8.868 1.821 12.851 469 2HG LYS 61 1HG LYS 61 -10.591 1.770 13.168 470 1HD LYS 61 2HD LYS 61 -10.907 0.236 11.217 471 2HD LYS 61 1HD LYS 61 -9.186 0.291 10.892 472 1HE LYS 61 2HE LYS 61 -9.053 -0.448 13.491 473 2HE LYS 61 1HE LYS 61 -10.652 -1.073 13.142 474 1HZ LYS 61 1HZ LYS 61 -8.217 -1.701 11.622 475 2HZ LYS 61 2HZ LYS 61 -8.969 -2.695 12.676 476 3HZ LYS 61 3HZ LYS 61 -9.708 -2.273 11.281 477 H GLU 62 H GLU 62 -7.339 1.074 11.257 478 HA GLU 62 HA GLU 62 -5.975 2.181 13.341 479 1HB GLU 62 2HB GLU 62 -5.521 -0.142 11.494 480 2HB GLU 62 1HB GLU 62 -4.174 0.345 12.505 481 1HG GLU 62 2HG GLU 62 -5.272 -0.208 14.492 482 2HG GLU 62 1HG GLU 62 -6.864 0.106 13.833 483 H ILE 63 H ILE 63 -5.700 2.876 9.968 484 HA ILE 63 HA ILE 63 -3.168 3.332 9.363 485 HB ILE 63 HB ILE 63 -4.868 3.933 7.857 486 1HG1 ILE 63 2HG1 ILE 63 -4.236 6.621 7.755 487 2HG1 ILE 63 1HG1 ILE 63 -2.886 5.953 8.649 488 1HG2 ILE 63 1HG2 ILE 63 -6.442 5.764 8.190 489 2HG2 ILE 63 2HG2 ILE 63 -6.593 4.552 9.486 490 3HG2 ILE 63 3HG2 ILE 63 -5.750 6.088 9.798 491 1HD1 ILE 63 1HD1 ILE 63 -3.498 4.150 6.476 492 2HD1 ILE 63 2HD1 ILE 63 -3.373 5.804 5.832 493 3HD1 ILE 63 3HD1 ILE 63 -2.017 5.100 6.744 494 H ASP 64 H ASP 64 -1.487 3.944 10.617 495 HA ASP 64 HA ASP 64 -0.901 6.364 11.363 496 1HB ASP 64 2HB ASP 64 -2.702 6.876 12.774 497 2HB ASP 64 1HB ASP 64 -2.868 5.225 13.338 498 H THR 65 H THR 65 -1.096 2.943 12.152 499 HA THR 65 HA THR 65 1.677 3.017 13.085 500 HB THR 65 HB THR 65 -0.769 2.145 14.600 501 HG1 THR 65 1HG THR 65 0.687 3.968 15.128 502 1HG2 THR 65 1HG2 THR 65 1.221 0.806 15.939 503 2HG2 THR 65 2HG2 THR 65 0.078 -0.001 14.839 504 3HG2 THR 65 3HG2 THR 65 1.692 0.470 14.255 505 H LEU 66 H LEU 66 -1.134 0.981 12.067 506 HA LEU 66 HA LEU 66 -1.243 -0.729 10.673 507 1HB LEU 66 2HB LEU 66 -0.063 0.695 9.113 508 2HB LEU 66 1HB LEU 66 1.483 0.218 9.785 509 HG LEU 66 HG LEU 66 -0.394 -1.790 8.532 510 1HD1 LEU 66 1HD1 LEU 66 1.867 -0.865 6.887 511 2HD1 LEU 66 2HD1 LEU 66 0.195 -1.270 6.431 512 3HD1 LEU 66 3HD1 LEU 66 0.567 0.331 7.115 513 1HD2 LEU 66 1HD2 LEU 66 2.331 -1.831 9.653 514 2HD2 LEU 66 2HD2 LEU 66 1.136 -3.138 9.470 515 3HD2 LEU 66 3HD2 LEU 66 2.148 -2.656 8.086 516 HA PRO 67 HA PRO 67 0.796 -3.453 13.504 517 1HB PRO 67 2HB PRO 67 -1.258 -5.241 13.737 518 2HB PRO 67 1HB PRO 67 -1.081 -3.843 14.779 519 1HG PRO 67 2HG PRO 67 -2.973 -4.262 12.546 520 2HG PRO 67 1HG PRO 67 -3.052 -3.090 13.847 521 1HD PRO 67 2HD PRO 67 -2.276 -2.590 11.132 522 2HD PRO 67 1HD PRO 67 -2.244 -1.445 12.459 523 H TYR 68 H TYR 68 2.024 -3.519 11.288 524 HA TYR 68 HA TYR 68 1.561 -5.342 9.386 525 1HB TYR 68 2HB TYR 68 4.169 -5.601 9.513 526 2HB TYR 68 1HB TYR 68 3.567 -3.959 9.391 527 HD1 TYR 68 1HD TYR 68 3.714 -2.417 11.282 528 HD2 TYR 68 2HD TYR 68 5.144 -6.436 11.606 529 HE1 TYR 68 1HE TYR 68 4.965 -1.808 13.410 530 HE2 TYR 68 2HE TYR 68 6.391 -5.813 13.732 531 HH TYR 68 HH TYR 68 5.752 -3.103 15.467 532 H LYS 69 H LYS 69 2.356 -7.561 8.965 533 HA LYS 69 HA LYS 69 1.839 -9.215 11.281 534 1HB LYS 69 2HB LYS 69 1.055 -9.400 8.690 535 2HB LYS 69 1HB LYS 69 2.465 -10.440 8.652 536 1HG LYS 69 2HG LYS 69 1.496 -11.550 10.800 537 2HG LYS 69 1HG LYS 69 0.008 -10.703 10.429 538 1HD LYS 69 2HD LYS 69 -0.385 -11.944 8.474 539 2HD LYS 69 1HD LYS 69 1.314 -12.284 8.217 540 1HE LYS 69 2HE LYS 69 0.904 -14.335 9.119 541 2HE LYS 69 1HE LYS 69 0.826 -13.525 10.671 542 1HZ LYS 69 1HZ LYS 69 -1.523 -13.696 8.935 543 2HZ LYS 69 2HZ LYS 69 -1.145 -14.895 9.977 544 3HZ LYS 69 3HZ LYS 69 -1.470 -13.397 10.540 545 H ASN 70 H ASN 70 3.319 -10.546 12.307 546 HA ASN 70 HA ASN 70 5.997 -9.772 12.057 547 1HB ASN 70 2HB ASN 70 4.766 -10.696 14.145 548 2HB ASN 70 1HB ASN 70 4.943 -12.289 13.437 549 1HD2 ASN 70 1HD2 ASN 70 6.315 -13.162 14.870 550 2HD2 ASN 70 2HD2 ASN 70 7.942 -12.637 15.152 551 H GLY 71 H GLY 71 7.036 -10.351 10.107 552 1HA GLY 71 2HA GLY 71 8.353 -12.196 9.225 553 2HA GLY 71 1HA GLY 71 6.935 -13.215 9.369 Start of MODEL 3 1 H MET 1 H MET 1 4.795 21.057 7.240 2 HA MET 1 HA MET 1 2.387 21.123 7.415 3 1HB MET 1 2HB MET 1 1.066 20.004 5.632 4 2HB MET 1 1HB MET 1 2.036 21.282 4.926 5 1HG MET 1 2HG MET 1 3.830 19.328 4.594 6 2HG MET 1 1HG MET 1 2.431 18.285 4.745 7 1HE MET 1 1HE MET 1 1.852 17.680 1.525 8 2HE MET 1 2HE MET 1 3.520 18.255 1.290 9 3HE MET 1 3HE MET 1 3.077 17.397 2.786 10 H SER 2 H SER 2 1.158 19.235 8.250 11 HA SER 2 HA SER 2 2.997 17.233 9.115 12 1HB SER 2 2HB SER 2 0.278 18.179 9.863 13 2HB SER 2 1HB SER 2 0.531 16.460 10.089 14 HG SER 2 HG SER 2 1.254 17.311 11.993 15 H THR 3 H THR 3 3.103 15.095 8.406 16 HA THR 3 HA THR 3 1.031 14.247 6.496 17 HB THR 3 HB THR 3 2.878 13.247 5.141 18 HG1 THR 3 1HG THR 3 4.496 14.725 7.092 19 1HG2 THR 3 1HG2 THR 3 4.163 15.864 5.442 20 2HG2 THR 3 2HG2 THR 3 3.241 15.229 4.058 21 3HG2 THR 3 3HG2 THR 3 2.393 16.039 5.397 22 H LYS 4 H LYS 4 0.293 12.166 6.667 23 HA LYS 4 HA LYS 4 1.704 10.397 8.489 24 1HB LYS 4 2HB LYS 4 -0.460 11.938 9.391 25 2HB LYS 4 1HB LYS 4 -1.143 10.355 9.077 26 1HG LYS 4 2HG LYS 4 1.206 9.641 10.322 27 2HG LYS 4 1HG LYS 4 0.891 11.177 11.104 28 1HD LYS 4 2HD LYS 4 -1.586 9.653 10.930 29 2HD LYS 4 1HD LYS 4 -0.339 8.657 11.653 30 1HE LYS 4 2HE LYS 4 -0.251 9.925 13.565 31 2HE LYS 4 1HE LYS 4 -0.352 11.439 12.686 32 1HZ LYS 4 1HZ LYS 4 -2.607 9.644 13.266 33 2HZ LYS 4 2HZ LYS 4 -2.312 11.083 13.980 34 3HZ LYS 4 3HZ LYS 4 -2.715 11.024 12.399 35 H LEU 5 H LEU 5 2.134 8.775 7.068 36 HA LEU 5 HA LEU 5 0.008 7.200 6.126 37 1HB LEU 5 2HB LEU 5 0.208 7.510 3.751 38 2HB LEU 5 1HB LEU 5 -0.288 9.002 4.526 39 HG LEU 5 HG LEU 5 2.465 8.343 3.448 40 1HD1 LEU 5 1HD1 LEU 5 0.109 9.587 2.311 41 2HD1 LEU 5 2HD1 LEU 5 1.492 10.707 2.311 42 3HD1 LEU 5 3HD1 LEU 5 1.638 9.112 1.535 43 1HD2 LEU 5 1HD2 LEU 5 2.881 9.627 5.384 44 2HD2 LEU 5 2HD2 LEU 5 2.956 10.765 4.018 45 3HD2 LEU 5 3HD2 LEU 5 1.511 10.717 5.056 46 H TYR 6 H TYR 6 0.799 5.208 5.140 47 HA TYR 6 HA TYR 6 3.680 4.907 5.017 48 1HB TYR 6 2HB TYR 6 3.097 4.490 7.407 49 2HB TYR 6 1HB TYR 6 1.727 3.503 6.939 50 HD1 TYR 6 1HD TYR 6 5.370 3.600 7.352 51 HD2 TYR 6 2HD TYR 6 2.044 1.202 6.131 52 HE1 TYR 6 1HE TYR 6 6.823 1.517 7.465 53 HE2 TYR 6 2HE TYR 6 3.508 -0.874 6.249 54 HH TYR 6 HH TYR 6 6.776 -0.705 7.531 55 H GLY 7 H GLY 7 3.699 4.217 2.899 56 1HA GLY 7 2HA GLY 7 3.688 2.376 1.471 57 2HA GLY 7 1HA GLY 7 2.374 1.656 2.379 58 H ASP 8 H ASP 8 2.860 4.914 0.828 59 HA ASP 8 HA ASP 8 0.199 4.624 -0.266 60 1HB ASP 8 2HB ASP 8 1.500 6.757 0.916 61 2HB ASP 8 1HB ASP 8 1.769 7.111 -0.779 62 H VAL 9 H VAL 9 -0.158 5.018 -2.609 63 HA VAL 9 HA VAL 9 2.216 4.346 -4.179 64 HB VAL 9 HB VAL 9 -0.736 4.172 -4.814 65 1HG1 VAL 9 1HG1 VAL 9 0.788 4.570 -6.784 66 2HG1 VAL 9 2HG1 VAL 9 1.585 3.028 -6.394 67 3HG1 VAL 9 3HG1 VAL 9 -0.137 3.050 -6.842 68 1HG2 VAL 9 1HG2 VAL 9 -0.253 2.524 -3.173 69 2HG2 VAL 9 2HG2 VAL 9 -0.240 1.677 -4.738 70 3HG2 VAL 9 3HG2 VAL 9 1.296 2.100 -3.943 71 H ASN 10 H ASN 10 -0.767 6.417 -4.413 72 HA ASN 10 HA ASN 10 0.810 8.197 -6.077 73 1HB ASN 10 2HB ASN 10 -1.624 9.250 -6.361 74 2HB ASN 10 1HB ASN 10 -1.197 7.794 -7.238 75 1HD2 ASN 10 1HD2 ASN 10 -3.423 7.312 -7.345 76 2HD2 ASN 10 2HD2 ASN 10 -4.269 6.592 -6.016 77 H ASP 11 H ASP 11 0.831 7.882 -3.005 78 HA ASP 11 HA ASP 11 0.788 9.082 -1.194 79 1HB ASP 11 2HB ASP 11 2.181 10.524 -3.002 80 2HB ASP 11 1HB ASP 11 0.881 11.670 -2.741 81 H ASP 12 H ASP 12 -1.803 8.424 -2.029 82 HA ASP 12 HA ASP 12 -3.306 10.898 -1.859 83 1HB ASP 12 2HB ASP 12 -4.226 9.662 -3.615 84 2HB ASP 12 1HB ASP 12 -3.835 8.121 -2.878 85 H GLY 13 H GLY 13 -2.936 7.581 -0.436 86 1HA GLY 13 2HA GLY 13 -3.643 8.548 2.184 87 2HA GLY 13 1HA GLY 13 -4.865 7.513 1.471 88 H LYS 14 H LYS 14 -3.512 5.574 0.086 89 HA LYS 14 HA LYS 14 -1.226 4.576 1.343 90 1HB LYS 14 2HB LYS 14 -2.586 2.546 2.383 91 2HB LYS 14 1HB LYS 14 -2.200 3.982 3.310 92 1HG LYS 14 2HG LYS 14 -4.602 3.329 3.545 93 2HG LYS 14 1HG LYS 14 -4.420 4.938 2.875 94 1HD LYS 14 2HD LYS 14 -4.694 3.972 0.559 95 2HD LYS 14 1HD LYS 14 -4.951 2.392 1.270 96 1HE LYS 14 2HE LYS 14 -7.165 3.001 1.188 97 2HE LYS 14 1HE LYS 14 -6.795 3.812 2.696 98 1HZ LYS 14 1HZ LYS 14 -6.093 5.420 0.496 99 2HZ LYS 14 2HZ LYS 14 -7.663 4.980 0.398 100 3HZ LYS 14 3HZ LYS 14 -7.112 5.751 1.729 101 H VAL 15 H VAL 15 -0.946 2.134 0.694 102 HA VAL 15 HA VAL 15 -1.828 1.994 -2.071 103 HB VAL 15 HB VAL 15 0.546 1.774 -1.513 104 1HG1 VAL 15 1HG1 VAL 15 0.366 -0.942 -0.413 105 2HG1 VAL 15 2HG1 VAL 15 1.376 0.435 0.089 106 3HG1 VAL 15 3HG1 VAL 15 -0.304 0.305 0.665 107 1HG2 VAL 15 1HG2 VAL 15 -0.836 0.349 -3.342 108 2HG2 VAL 15 2HG2 VAL 15 0.931 0.252 -3.155 109 3HG2 VAL 15 3HG2 VAL 15 -0.111 -0.984 -2.410 110 H ASN 16 H ASN 16 -3.751 1.025 -2.458 111 HA ASN 16 HA ASN 16 -4.152 -1.561 -1.288 112 1HB ASN 16 2HB ASN 16 -6.494 -0.987 -0.543 113 2HB ASN 16 1HB ASN 16 -5.272 -0.130 0.376 114 1HD2 ASN 16 1HD2 ASN 16 -4.563 2.004 -0.690 115 2HD2 ASN 16 2HD2 ASN 16 -5.831 3.058 -1.221 116 H SER 17 H SER 17 -6.776 -2.049 -2.151 117 HA SER 17 HA SER 17 -6.548 -2.551 -4.766 118 1HB SER 17 2HB SER 17 -8.349 -3.564 -3.608 119 2HB SER 17 1HB SER 17 -8.962 -2.032 -3.016 120 HG SER 17 HG SER 17 -9.226 -3.206 -5.619 121 H THR 18 H THR 18 -7.222 0.543 -3.225 122 HA THR 18 HA THR 18 -8.414 1.807 -5.474 123 HB THR 18 HB THR 18 -6.982 2.884 -2.988 124 HG1 THR 18 1HG THR 18 -9.740 2.309 -3.812 125 1HG2 THR 18 1HG2 THR 18 -7.226 4.788 -4.418 126 2HG2 THR 18 2HG2 THR 18 -8.736 4.164 -5.124 127 3HG2 THR 18 3HG2 THR 18 -8.725 4.791 -3.459 128 H ASP 19 H ASP 19 -5.042 1.534 -4.237 129 HA ASP 19 HA ASP 19 -4.164 3.103 -6.483 130 1HB ASP 19 2HB ASP 19 -2.703 1.778 -4.153 131 2HB ASP 19 1HB ASP 19 -1.866 2.644 -5.426 132 H ALA 20 H ALA 20 -5.423 0.288 -6.651 133 HA ALA 20 HA ALA 20 -3.404 -1.583 -7.189 134 1HB ALA 20 1HB ALA 20 -5.668 -2.271 -6.686 135 2HB ALA 20 2HB ALA 20 -6.308 -1.349 -8.068 136 3HB ALA 20 3HB ALA 20 -5.295 -2.785 -8.349 137 H VAL 21 H VAL 21 -5.051 0.927 -9.145 138 HA VAL 21 HA VAL 21 -4.412 0.144 -11.666 139 HB VAL 21 HB VAL 21 -4.428 2.886 -10.399 140 1HG1 VAL 21 1HG1 VAL 21 -3.781 3.825 -12.315 141 2HG1 VAL 21 2HG1 VAL 21 -3.410 2.202 -12.946 142 3HG1 VAL 21 3HG1 VAL 21 -5.015 2.921 -13.224 143 1HG2 VAL 21 1HG2 VAL 21 -6.575 2.108 -12.258 144 2HG2 VAL 21 2HG2 VAL 21 -6.494 1.114 -10.785 145 3HG2 VAL 21 3HG2 VAL 21 -6.663 2.880 -10.656 146 H ALA 22 H ALA 22 -2.346 2.266 -9.551 147 HA ALA 22 HA ALA 22 -0.143 2.126 -11.296 148 1HB ALA 22 1HB ALA 22 -0.889 3.362 -8.783 149 2HB ALA 22 2HB ALA 22 0.753 2.683 -8.666 150 3HB ALA 22 3HB ALA 22 0.362 3.853 -9.949 151 H LEU 23 H LEU 23 -0.807 0.519 -8.100 152 HA LEU 23 HA LEU 23 1.401 -0.980 -7.844 153 1HB LEU 23 2HB LEU 23 -0.002 -1.244 -6.101 154 2HB LEU 23 1HB LEU 23 -1.440 -1.292 -7.102 155 HG LEU 23 HG LEU 23 -0.111 -3.665 -7.733 156 1HD1 LEU 23 1HD1 LEU 23 -0.229 -4.166 -4.926 157 2HD1 LEU 23 2HD1 LEU 23 1.150 -4.334 -6.039 158 3HD1 LEU 23 3HD1 LEU 23 0.861 -2.787 -5.208 159 1HD2 LEU 23 1HD2 LEU 23 -1.964 -4.712 -6.389 160 2HD2 LEU 23 2HD2 LEU 23 -2.431 -3.070 -5.886 161 3HD2 LEU 23 3HD2 LEU 23 -2.481 -3.521 -7.607 162 H LYS 24 H LYS 24 -1.543 -2.027 -9.707 163 HA LYS 24 HA LYS 24 -0.584 -4.385 -10.655 164 1HB LYS 24 2HB LYS 24 -2.876 -3.126 -10.943 165 2HB LYS 24 1HB LYS 24 -2.179 -2.582 -12.455 166 1HG LYS 24 2HG LYS 24 -2.558 -4.600 -13.417 167 2HG LYS 24 1HG LYS 24 -1.640 -5.415 -12.167 168 1HD LYS 24 2HD LYS 24 -3.555 -6.262 -11.305 169 2HD LYS 24 1HD LYS 24 -4.131 -4.640 -10.976 170 1HE LYS 24 2HE LYS 24 -4.612 -4.759 -13.671 171 2HE LYS 24 1HE LYS 24 -4.776 -6.456 -13.269 172 1HZ LYS 24 1HZ LYS 24 -6.548 -4.368 -12.730 173 2HZ LYS 24 2HZ LYS 24 -6.762 -5.970 -12.495 174 3HZ LYS 24 3HZ LYS 24 -6.103 -5.052 -11.315 175 H ARG 25 H ARG 25 0.013 -1.067 -11.942 176 HA ARG 25 HA ARG 25 1.466 -1.996 -14.138 177 1HB ARG 25 2HB ARG 25 0.986 0.639 -12.780 178 2HB ARG 25 1HB ARG 25 2.419 0.551 -13.785 179 1HG ARG 25 2HG ARG 25 1.208 0.481 -15.726 180 2HG ARG 25 1HG ARG 25 0.050 -0.661 -15.075 181 1HD ARG 25 2HD ARG 25 -0.855 1.372 -13.675 182 2HD ARG 25 1HD ARG 25 0.054 2.367 -14.795 183 HE ARG 25 HE ARG 25 -1.642 0.391 -16.135 184 1HH1 ARG 25 2HH2 ARG 25 -1.534 3.620 -14.741 185 2HH1 ARG 25 1HH2 ARG 25 -2.873 4.206 -15.671 186 1HH2 ARG 25 2HH1 ARG 25 -3.410 1.162 -17.362 187 2HH2 ARG 25 1HH1 ARG 25 -3.947 2.798 -17.171 188 H TYR 26 H TYR 26 2.221 -1.377 -10.737 189 HA TYR 26 HA TYR 26 5.060 -1.234 -11.151 190 1HB TYR 26 2HB TYR 26 3.670 -0.125 -9.296 191 2HB TYR 26 1HB TYR 26 3.260 -1.718 -8.694 192 HD1 TYR 26 1HD TYR 26 5.402 1.006 -8.248 193 HD2 TYR 26 2HD TYR 26 5.415 -3.272 -8.211 194 HE1 TYR 26 1HE TYR 26 7.479 1.019 -6.783 195 HE2 TYR 26 2HE TYR 26 7.493 -3.244 -6.745 196 HH TYR 26 HH TYR 26 8.699 -1.926 -5.362 197 H VAL 27 H VAL 27 2.625 -3.685 -10.151 198 HA VAL 27 HA VAL 27 4.647 -5.609 -9.506 199 HB VAL 27 HB VAL 27 2.130 -5.237 -8.698 200 1HG1 VAL 27 1HG1 VAL 27 0.652 -6.957 -9.666 201 2HG1 VAL 27 2HG1 VAL 27 1.116 -5.729 -10.868 202 3HG1 VAL 27 3HG1 VAL 27 1.892 -7.330 -10.886 203 1HG2 VAL 27 1HG2 VAL 27 2.794 -6.863 -7.328 204 2HG2 VAL 27 2HG2 VAL 27 2.535 -8.072 -8.608 205 3HG2 VAL 27 3HG2 VAL 27 4.114 -7.265 -8.453 206 H LEU 28 H LEU 28 2.567 -4.757 -12.292 207 HA LEU 28 HA LEU 28 3.271 -7.115 -13.742 208 1HB LEU 28 2HB LEU 28 1.141 -5.707 -13.901 209 2HB LEU 28 1HB LEU 28 2.087 -4.581 -14.855 210 HG LEU 28 HG LEU 28 1.767 -7.505 -15.574 211 1HD1 LEU 28 1HD1 LEU 28 -0.416 -6.837 -15.789 212 2HD1 LEU 28 2HD1 LEU 28 0.013 -5.148 -16.151 213 3HD1 LEU 28 3HD1 LEU 28 0.221 -6.405 -17.394 214 1HD2 LEU 28 1HD2 LEU 28 3.284 -7.099 -17.137 215 2HD2 LEU 28 2HD2 LEU 28 2.247 -5.823 -17.818 216 3HD2 LEU 28 3HD2 LEU 28 3.447 -5.422 -16.566 217 H ARG 29 H ARG 29 4.360 -3.692 -13.583 218 HA ARG 29 HA ARG 29 6.801 -4.551 -14.812 219 1HB ARG 29 2HB ARG 29 6.791 -2.852 -16.572 220 2HB ARG 29 1HB ARG 29 5.328 -3.805 -16.728 221 1HG ARG 29 2HG ARG 29 5.305 -1.266 -15.067 222 2HG ARG 29 1HG ARG 29 5.180 -1.167 -16.812 223 1HD ARG 29 2HD ARG 29 3.374 -3.105 -15.352 224 2HD ARG 29 1HD ARG 29 2.991 -1.397 -15.281 225 HE ARG 29 HE ARG 29 2.594 -3.116 -17.545 226 1HH1 ARG 29 2HH2 ARG 29 3.655 0.147 -16.762 227 2HH1 ARG 29 1HH2 ARG 29 3.168 0.809 -18.287 228 1HH2 ARG 29 2HH1 ARG 29 1.951 -2.243 -19.557 229 2HH2 ARG 29 1HH1 ARG 29 2.192 -0.560 -19.887 230 H SER 30 H SER 30 8.020 -2.032 -15.186 231 HA SER 30 HA SER 30 7.599 -0.713 -12.627 232 1HB SER 30 2HB SER 30 10.104 -0.460 -12.439 233 2HB SER 30 1HB SER 30 9.539 -2.111 -12.277 234 HG SER 30 HG SER 30 11.455 -1.546 -13.795 235 H GLY 31 H GLY 31 6.328 0.453 -14.597 236 1HA GLY 31 2HA GLY 31 8.143 2.291 -16.003 237 2HA GLY 31 1HA GLY 31 6.469 1.956 -16.399 238 H ILE 32 H ILE 32 4.992 2.328 -14.172 239 HA ILE 32 HA ILE 32 4.927 5.099 -13.895 240 HB ILE 32 HB ILE 32 3.276 4.619 -12.103 241 1HG1 ILE 32 2HG1 ILE 32 2.721 1.953 -12.267 242 2HG1 ILE 32 1HG1 ILE 32 4.471 1.920 -12.338 243 1HG2 ILE 32 1HG2 ILE 32 1.954 2.969 -13.857 244 2HG2 ILE 32 2HG2 ILE 32 2.038 4.744 -13.960 245 3HG2 ILE 32 3HG2 ILE 32 3.170 3.744 -14.901 246 1HD1 ILE 32 1HD1 ILE 32 4.643 3.217 -10.263 247 2HD1 ILE 32 2HD1 ILE 32 2.877 3.437 -10.222 248 3HD1 ILE 32 3HD1 ILE 32 3.577 1.818 -9.991 249 H SER 33 H SER 33 4.774 5.997 -11.415 250 HA SER 33 HA SER 33 7.146 5.040 -10.042 251 1HB SER 33 2HB SER 33 6.680 7.766 -11.195 252 2HB SER 33 1HB SER 33 7.401 7.713 -9.599 253 HG SER 33 HG SER 33 8.410 6.171 -11.830 254 H ILE 34 H ILE 34 6.638 4.647 -7.917 255 HA ILE 34 HA ILE 34 4.552 6.322 -6.718 256 HB ILE 34 HB ILE 34 3.484 4.474 -5.735 257 1HG1 ILE 34 2HG1 ILE 34 5.461 2.534 -6.937 258 2HG1 ILE 34 1HG1 ILE 34 5.720 3.240 -5.354 259 1HG2 ILE 34 1HG2 ILE 34 4.028 4.259 -8.667 260 2HG2 ILE 34 2HG2 ILE 34 3.103 2.964 -7.868 261 3HG2 ILE 34 3HG2 ILE 34 2.521 4.645 -7.802 262 1HD1 ILE 34 1HD1 ILE 34 3.525 1.371 -6.262 263 2HD1 ILE 34 2HD1 ILE 34 4.545 1.287 -4.806 264 3HD1 ILE 34 3HD1 ILE 34 3.223 2.474 -4.897 265 H ASN 35 H ASN 35 4.618 6.034 -4.210 266 HA ASN 35 HA ASN 35 7.209 6.742 -3.447 267 1HB ASN 35 2HB ASN 35 5.023 5.851 -1.518 268 2HB ASN 35 1HB ASN 35 6.261 7.063 -1.251 269 1HD2 ASN 35 1HD2 ASN 35 3.277 6.284 -2.900 270 2HD2 ASN 35 2HD2 ASN 35 2.775 7.897 -3.279 271 H THR 36 H THR 36 7.978 4.470 -4.476 272 HA THR 36 HA THR 36 7.502 2.084 -3.109 273 HB THR 36 HB THR 36 8.445 1.956 -5.296 274 HG1 THR 36 1HG THR 36 10.740 1.824 -3.483 275 1HG2 THR 36 1HG2 THR 36 10.323 4.099 -4.256 276 2HG2 THR 36 2HG2 THR 36 10.888 3.002 -5.539 277 3HG2 THR 36 3HG2 THR 36 9.459 4.028 -5.812 278 H ASP 37 H ASP 37 9.458 4.871 -2.262 279 HA ASP 37 HA ASP 37 11.449 3.988 -0.824 280 1HB ASP 37 2HB ASP 37 9.493 6.183 -0.500 281 2HB ASP 37 1HB ASP 37 10.255 5.738 1.014 282 H ASN 38 H ASN 38 8.181 4.504 0.726 283 HA ASN 38 HA ASN 38 8.826 2.252 2.462 284 1HB ASN 38 2HB ASN 38 8.632 4.212 3.847 285 2HB ASN 38 1HB ASN 38 7.266 4.826 2.937 286 1HD2 ASN 38 1HD2 ASN 38 5.342 4.560 3.764 287 2HD2 ASN 38 2HD2 ASN 38 4.857 3.387 4.942 288 H ALA 39 H ALA 39 7.856 1.111 0.387 289 HA ALA 39 HA ALA 39 4.921 1.135 0.588 290 1HB ALA 39 1HB ALA 39 4.877 0.523 -1.768 291 2HB ALA 39 2HB ALA 39 5.861 1.992 -1.569 292 3HB ALA 39 3HB ALA 39 6.653 0.417 -1.810 293 H ASP 40 H ASP 40 7.570 -1.036 -0.643 294 HA ASP 40 HA ASP 40 6.188 -3.346 -0.125 295 1HB ASP 40 2HB ASP 40 8.308 -3.031 -1.515 296 2HB ASP 40 1HB ASP 40 9.216 -2.975 -0.018 297 H LEU 41 H LEU 41 6.457 -4.944 1.644 298 HA LEU 41 HA LEU 41 7.908 -4.067 3.988 299 1HB LEU 41 2HB LEU 41 5.082 -4.828 4.493 300 2HB LEU 41 1HB LEU 41 6.163 -3.809 5.423 301 HG LEU 41 HG LEU 41 5.078 -2.903 2.758 302 1HD1 LEU 41 1HD1 LEU 41 3.687 -2.949 5.419 303 2HD1 LEU 41 2HD1 LEU 41 3.386 -1.622 4.270 304 3HD1 LEU 41 3HD1 LEU 41 3.053 -3.305 3.794 305 1HD2 LEU 41 1HD2 LEU 41 6.155 -1.007 3.177 306 2HD2 LEU 41 2HD2 LEU 41 5.437 -0.885 4.802 307 3HD2 LEU 41 3HD2 LEU 41 6.930 -1.822 4.556 308 H ASN 42 H ASN 42 5.694 -6.459 2.430 309 HA ASN 42 HA ASN 42 6.737 -8.526 4.099 310 1HB ASN 42 2HB ASN 42 5.015 -8.857 1.595 311 2HB ASN 42 1HB ASN 42 5.149 -9.972 2.940 312 1HD2 ASN 42 1HD2 ASN 42 3.609 -9.930 4.379 313 2HD2 ASN 42 2HD2 ASN 42 2.543 -8.614 4.743 314 H GLU 43 H GLU 43 8.052 -6.810 1.623 315 HA GLU 43 HA GLU 43 9.783 -7.151 0.340 316 1HB GLU 43 2HB GLU 43 9.862 -9.501 1.998 317 2HB GLU 43 1HB GLU 43 10.239 -9.997 0.361 318 1HG GLU 43 2HG GLU 43 11.967 -8.179 0.220 319 2HG GLU 43 1HG GLU 43 11.604 -7.718 1.872 320 H ASP 44 H ASP 44 7.059 -7.221 -0.598 321 HA ASP 44 HA ASP 44 7.328 -9.112 -2.801 322 1HB ASP 44 2HB ASP 44 4.876 -9.008 -3.015 323 2HB ASP 44 1HB ASP 44 5.320 -9.475 -1.385 324 H GLY 45 H GLY 45 6.675 -5.768 -1.703 325 1HA GLY 45 2HA GLY 45 7.712 -4.218 -3.484 326 2HA GLY 45 1HA GLY 45 6.415 -4.840 -4.484 327 H ARG 46 H ARG 46 4.126 -4.808 -3.303 328 HA ARG 46 HA ARG 46 3.944 -2.512 -1.573 329 1HB ARG 46 2HB ARG 46 2.672 -2.739 -4.326 330 2HB ARG 46 1HB ARG 46 1.903 -1.770 -3.083 331 1HG ARG 46 2HG ARG 46 3.305 -0.067 -3.604 332 2HG ARG 46 1HG ARG 46 4.641 -1.025 -2.999 333 1HD ARG 46 2HD ARG 46 3.655 -0.758 -5.857 334 2HD ARG 46 1HD ARG 46 5.276 -0.513 -5.235 335 HE ARG 46 HE ARG 46 5.550 -2.925 -5.048 336 1HH1 ARG 46 2HH2 ARG 46 2.548 -1.927 -6.592 337 2HH1 ARG 46 1HH2 ARG 46 2.268 -3.468 -7.331 338 1HH2 ARG 46 2HH1 ARG 46 5.178 -4.958 -6.022 339 2HH2 ARG 46 1HH1 ARG 46 3.774 -5.205 -7.004 340 H VAL 47 H VAL 47 1.313 -3.971 -3.542 341 HA VAL 47 HA VAL 47 0.463 -5.517 -1.208 342 HB VAL 47 HB VAL 47 -1.898 -4.746 -1.820 343 1HG1 VAL 47 1HG1 VAL 47 -0.947 -4.105 0.273 344 2HG1 VAL 47 2HG1 VAL 47 0.127 -2.915 -0.500 345 3HG1 VAL 47 3HG1 VAL 47 -1.629 -2.631 -0.454 346 1HG2 VAL 47 1HG2 VAL 47 -1.781 -3.604 -3.823 347 2HG2 VAL 47 2HG2 VAL 47 -1.746 -2.255 -2.662 348 3HG2 VAL 47 3HG2 VAL 47 -0.235 -2.821 -3.415 349 H ASN 48 H ASN 48 1.568 -7.178 -2.623 350 HA ASN 48 HA ASN 48 0.675 -7.751 -5.150 351 1HB ASN 48 2HB ASN 48 2.142 -9.170 -2.980 352 2HB ASN 48 1HB ASN 48 1.311 -10.250 -4.079 353 1HD2 ASN 48 1HD2 ASN 48 3.214 -7.238 -4.195 354 2HD2 ASN 48 2HD2 ASN 48 4.218 -7.665 -5.541 355 H SER 49 H SER 49 -0.476 -8.758 -1.879 356 HA SER 49 HA SER 49 -3.071 -8.968 -2.462 357 1HB SER 49 2HB SER 49 -1.680 -11.150 -3.733 358 2HB SER 49 1HB SER 49 -2.659 -11.818 -2.443 359 HG SER 49 HG SER 49 -3.926 -9.860 -4.048 360 H THR 50 H THR 50 -0.223 -10.328 -0.832 361 HA THR 50 HA THR 50 -1.762 -11.251 1.438 362 HB THR 50 HB THR 50 1.214 -11.121 0.737 363 HG1 THR 50 1HG THR 50 -0.003 -12.738 -0.384 364 1HG2 THR 50 1HG2 THR 50 0.546 -11.105 3.306 365 2HG2 THR 50 2HG2 THR 50 0.005 -12.770 2.984 366 3HG2 THR 50 3HG2 THR 50 1.708 -12.322 2.723 367 H ASP 51 H ASP 51 0.242 -8.442 0.503 368 HA ASP 51 HA ASP 51 0.317 -7.428 3.127 369 1HB ASP 51 2HB ASP 51 0.515 -5.553 0.800 370 2HB ASP 51 1HB ASP 51 1.554 -5.690 2.203 371 H LEU 52 H LEU 52 -1.667 -6.899 0.149 372 HA LEU 52 HA LEU 52 -3.096 -4.692 0.884 373 1HB LEU 52 2HB LEU 52 -4.271 -5.111 -0.956 374 2HB LEU 52 1HB LEU 52 -3.070 -6.359 -1.221 375 HG LEU 52 HG LEU 52 -4.633 -7.988 -0.084 376 1HD1 LEU 52 1HD1 LEU 52 -6.493 -7.313 0.911 377 2HD1 LEU 52 2HD1 LEU 52 -6.049 -5.628 0.549 378 3HD1 LEU 52 3HD1 LEU 52 -7.064 -6.545 -0.589 379 1HD2 LEU 52 1HD2 LEU 52 -5.536 -8.572 -2.079 380 2HD2 LEU 52 2HD2 LEU 52 -6.114 -6.926 -2.432 381 3HD2 LEU 52 3HD2 LEU 52 -4.399 -7.337 -2.668 382 H GLY 53 H GLY 53 -3.648 -8.141 1.788 383 1HA GLY 53 2HA GLY 53 -6.069 -7.926 3.070 384 2HA GLY 53 1HA GLY 53 -4.786 -9.037 3.508 385 H ILE 54 H ILE 54 -2.885 -6.686 4.049 386 HA ILE 54 HA ILE 54 -3.817 -6.249 6.763 387 HB ILE 54 HB ILE 54 -1.301 -6.644 5.473 388 1HG1 ILE 54 2HG1 ILE 54 -1.938 -7.868 7.420 389 2HG1 ILE 54 1HG1 ILE 54 -0.542 -6.894 7.837 390 1HG2 ILE 54 1HG2 ILE 54 -1.540 -4.040 7.000 391 2HG2 ILE 54 2HG2 ILE 54 -0.003 -4.871 6.661 392 3HG2 ILE 54 3HG2 ILE 54 -1.006 -4.274 5.317 393 1HD1 ILE 54 1HD1 ILE 54 -3.411 -6.576 8.700 394 2HD1 ILE 54 2HD1 ILE 54 -1.916 -6.434 9.658 395 3HD1 ILE 54 3HD1 ILE 54 -2.404 -5.114 8.567 396 H LEU 55 H LEU 55 -3.085 -4.496 3.726 397 HA LEU 55 HA LEU 55 -3.219 -1.920 4.798 398 1HB LEU 55 2HB LEU 55 -3.470 -3.141 2.085 399 2HB LEU 55 1HB LEU 55 -3.947 -1.468 2.299 400 HG LEU 55 HG LEU 55 -1.555 -1.969 1.516 401 1HD1 LEU 55 1HD1 LEU 55 -1.829 0.246 1.949 402 2HD1 LEU 55 2HD1 LEU 55 -2.434 -0.031 3.600 403 3HD1 LEU 55 3HD1 LEU 55 -0.691 -0.149 3.261 404 1HD2 LEU 55 1HD2 LEU 55 0.074 -2.681 2.994 405 2HD2 LEU 55 2HD2 LEU 55 -0.903 -2.292 4.431 406 3HD2 LEU 55 3HD2 LEU 55 -1.309 -3.711 3.435 407 H LYS 56 H LYS 56 -5.753 -3.782 2.966 408 HA LYS 56 HA LYS 56 -7.780 -1.945 3.524 409 1HB LYS 56 2HB LYS 56 -9.254 -3.552 2.581 410 2HB LYS 56 1HB LYS 56 -7.746 -3.664 1.696 411 1HG LYS 56 2HG LYS 56 -7.879 -5.903 2.121 412 2HG LYS 56 1HG LYS 56 -7.289 -5.488 3.719 413 1HD LYS 56 2HD LYS 56 -9.198 -6.511 4.457 414 2HD LYS 56 1HD LYS 56 -9.976 -4.995 4.047 415 1HE LYS 56 2HE LYS 56 -10.838 -5.825 2.007 416 2HE LYS 56 1HE LYS 56 -9.627 -7.086 1.886 417 1HZ LYS 56 1HZ LYS 56 -10.939 -8.441 2.998 418 2HZ LYS 56 2HZ LYS 56 -11.147 -7.392 4.231 419 3HZ LYS 56 3HZ LYS 56 -12.131 -7.327 2.930 420 H ARG 57 H ARG 57 -6.024 -3.869 5.654 421 HA ARG 57 HA ARG 57 -8.267 -4.456 7.342 422 1HB ARG 57 2HB ARG 57 -5.644 -5.523 6.982 423 2HB ARG 57 1HB ARG 57 -5.652 -4.847 8.599 424 1HG ARG 57 2HG ARG 57 -7.687 -6.144 9.166 425 2HG ARG 57 1HG ARG 57 -7.779 -6.764 7.530 426 1HD ARG 57 2HD ARG 57 -5.378 -7.699 7.925 427 2HD ARG 57 1HD ARG 57 -5.642 -7.349 9.622 428 HE ARG 57 HE ARG 57 -7.895 -8.815 8.603 429 1HH1 ARG 57 2HH2 ARG 57 -4.512 -9.260 9.465 430 2HH1 ARG 57 1HH2 ARG 57 -4.696 -10.941 9.840 431 1HH2 ARG 57 2HH1 ARG 57 -8.139 -11.032 9.097 432 2HH2 ARG 57 1HH1 ARG 57 -6.773 -11.956 9.629 433 H TYR 58 H TYR 58 -5.227 -2.470 7.389 434 HA TYR 58 HA TYR 58 -6.131 -1.131 9.805 435 1HB TYR 58 2HB TYR 58 -3.830 -0.619 9.947 436 2HB TYR 58 1HB TYR 58 -3.702 -1.989 8.862 437 HD1 TYR 58 1HD TYR 58 -2.405 -1.715 6.962 438 HD2 TYR 58 2HD TYR 58 -4.333 1.711 8.650 439 HE1 TYR 58 1HE TYR 58 -1.300 -0.227 5.222 440 HE2 TYR 58 2HE TYR 58 -3.221 3.187 6.904 441 HH TYR 58 HH TYR 58 -0.675 2.052 4.941 442 H ILE 59 H ILE 59 -5.432 -0.448 6.328 443 HA ILE 59 HA ILE 59 -5.705 2.274 6.360 444 HB ILE 59 HB ILE 59 -6.099 2.132 4.040 445 1HG1 ILE 59 2HG1 ILE 59 -6.542 -0.448 3.254 446 2HG1 ILE 59 1HG1 ILE 59 -7.487 -0.385 4.728 447 1HG2 ILE 59 1HG2 ILE 59 -3.973 1.485 3.942 448 2HG2 ILE 59 2HG2 ILE 59 -4.162 0.381 5.325 449 3HG2 ILE 59 3HG2 ILE 59 -4.581 -0.167 3.684 450 1HD1 ILE 59 1HD1 ILE 59 -8.098 0.767 2.149 451 2HD1 ILE 59 2HD1 ILE 59 -9.108 0.730 3.614 452 3HD1 ILE 59 3HD1 ILE 59 -7.974 2.076 3.349 453 H LEU 60 H LEU 60 -8.098 -0.190 7.001 454 HA LEU 60 HA LEU 60 -10.431 0.938 6.210 455 1HB LEU 60 2HB LEU 60 -9.663 -1.165 7.778 456 2HB LEU 60 1HB LEU 60 -10.471 -0.139 8.946 457 HG LEU 60 HG LEU 60 -12.050 -1.719 8.085 458 1HD1 LEU 60 1HD1 LEU 60 -12.440 1.036 8.046 459 2HD1 LEU 60 2HD1 LEU 60 -13.148 0.466 6.515 460 3HD1 LEU 60 3HD1 LEU 60 -13.696 -0.225 8.060 461 1HD2 LEU 60 1HD2 LEU 60 -11.646 -2.584 6.068 462 2HD2 LEU 60 2HD2 LEU 60 -12.520 -1.175 5.421 463 3HD2 LEU 60 3HD2 LEU 60 -10.745 -1.146 5.531 464 H LYS 61 H LYS 61 -8.837 1.527 9.427 465 HA LYS 61 HA LYS 61 -9.143 4.272 9.343 466 1HB LYS 61 2HB LYS 61 -11.638 3.292 9.478 467 2HB LYS 61 1HB LYS 61 -11.263 3.277 11.189 468 1HG LYS 61 2HG LYS 61 -12.292 5.437 10.498 469 2HG LYS 61 1HG LYS 61 -10.677 5.670 11.136 470 1HD LYS 61 2HD LYS 61 -9.781 6.246 9.069 471 2HD LYS 61 1HD LYS 61 -10.878 5.211 8.177 472 1HE LYS 61 2HE LYS 61 -12.538 6.827 8.055 473 2HE LYS 61 1HE LYS 61 -12.152 7.504 9.624 474 1HZ LYS 61 1HZ LYS 61 -11.204 8.275 7.085 475 2HZ LYS 61 2HZ LYS 61 -11.109 9.073 8.506 476 3HZ LYS 61 3HZ LYS 61 -9.957 7.988 8.100 477 H GLU 62 H GLU 62 -7.196 2.309 10.039 478 HA GLU 62 HA GLU 62 -6.919 2.994 12.854 479 1HB GLU 62 2HB GLU 62 -7.122 0.329 11.693 480 2HB GLU 62 1HB GLU 62 -5.560 0.527 12.461 481 1HG GLU 62 2HG GLU 62 -8.251 1.120 13.782 482 2HG GLU 62 1HG GLU 62 -7.297 -0.325 14.049 483 H ILE 63 H ILE 63 -5.857 3.619 9.854 484 HA ILE 63 HA ILE 63 -3.251 3.052 9.569 485 HB ILE 63 HB ILE 63 -3.137 4.802 8.110 486 1HG1 ILE 63 2HG1 ILE 63 -3.258 6.570 9.844 487 2HG1 ILE 63 1HG1 ILE 63 -4.107 6.983 8.368 488 1HG2 ILE 63 1HG2 ILE 63 -5.350 3.357 8.000 489 2HG2 ILE 63 2HG2 ILE 63 -6.114 4.936 8.303 490 3HG2 ILE 63 3HG2 ILE 63 -5.062 4.713 6.885 491 1HD1 ILE 63 1HD1 ILE 63 -5.676 5.614 10.545 492 2HD1 ILE 63 2HD1 ILE 63 -5.248 7.327 10.762 493 3HD1 ILE 63 3HD1 ILE 63 -6.212 6.822 9.353 494 H ASP 64 H ASP 64 -1.225 4.198 10.095 495 HA ASP 64 HA ASP 64 -0.735 6.179 11.683 496 1HB ASP 64 2HB ASP 64 -2.082 5.687 13.533 497 2HB ASP 64 1HB ASP 64 -1.899 3.956 13.341 498 H THR 65 H THR 65 -0.280 2.618 12.366 499 HA THR 65 HA THR 65 2.513 2.883 11.510 500 HB THR 65 HB THR 65 1.952 2.997 14.143 501 HG1 THR 65 1HG THR 65 4.113 2.230 14.257 502 1HG2 THR 65 1HG2 THR 65 0.897 0.483 13.618 503 2HG2 THR 65 2HG2 THR 65 2.583 0.087 14.028 504 3HG2 THR 65 3HG2 THR 65 1.571 0.976 15.190 505 H LEU 66 H LEU 66 -0.387 1.592 10.842 506 HA LEU 66 HA LEU 66 -1.133 -0.326 9.993 507 1HB LEU 66 2HB LEU 66 -0.183 0.280 8.023 508 2HB LEU 66 1HB LEU 66 1.448 0.287 8.665 509 HG LEU 66 HG LEU 66 0.079 -2.357 8.416 510 1HD1 LEU 66 1HD1 LEU 66 0.821 -0.602 6.104 511 2HD1 LEU 66 2HD1 LEU 66 1.081 -2.360 5.990 512 3HD1 LEU 66 3HD1 LEU 66 -0.551 -1.720 6.301 513 1HD2 LEU 66 1HD2 LEU 66 2.703 -2.377 7.384 514 2HD2 LEU 66 2HD2 LEU 66 2.741 -1.348 8.835 515 3HD2 LEU 66 3HD2 LEU 66 2.129 -3.017 8.942 516 HA PRO 67 HA PRO 67 0.575 -3.198 12.897 517 1HB PRO 67 2HB PRO 67 -1.789 -4.397 13.561 518 2HB PRO 67 1HB PRO 67 -1.156 -2.998 14.402 519 1HG PRO 67 2HG PRO 67 -3.372 -3.142 12.451 520 2HG PRO 67 1HG PRO 67 -3.004 -1.873 13.602 521 1HD PRO 67 2HD PRO 67 -2.499 -1.828 10.779 522 2HD PRO 67 1HD PRO 67 -2.027 -0.610 11.947 523 H TYR 68 H TYR 68 1.458 -3.770 10.597 524 HA TYR 68 HA TYR 68 0.423 -5.520 8.923 525 1HB TYR 68 2HB TYR 68 2.830 -6.604 9.070 526 2HB TYR 68 1HB TYR 68 2.752 -4.886 8.741 527 HD1 TYR 68 1HD TYR 68 3.332 -3.238 10.494 528 HD2 TYR 68 2HD TYR 68 3.699 -7.446 11.175 529 HE1 TYR 68 1HE TYR 68 4.796 -2.789 12.523 530 HE2 TYR 68 2HE TYR 68 5.162 -6.983 13.202 531 HH TYR 68 HH TYR 68 6.692 -4.244 13.730 532 H LYS 69 H LYS 69 1.731 -6.446 12.174 533 HA LYS 69 HA LYS 69 1.270 -8.169 13.481 534 1HB LYS 69 2HB LYS 69 -1.130 -7.644 12.608 535 2HB LYS 69 1HB LYS 69 -0.940 -9.107 11.664 536 1HG LYS 69 2HG LYS 69 -0.155 -10.176 13.958 537 2HG LYS 69 1HG LYS 69 -0.956 -8.795 14.679 538 1HD LYS 69 2HD LYS 69 -3.091 -9.436 13.870 539 2HD LYS 69 1HD LYS 69 -2.421 -10.431 12.592 540 1HE LYS 69 2HE LYS 69 -3.188 -12.009 14.197 541 2HE LYS 69 1HE LYS 69 -1.460 -11.937 14.477 542 1HZ LYS 69 1HZ LYS 69 -3.503 -10.477 16.001 543 2HZ LYS 69 2HZ LYS 69 -2.643 -11.763 16.525 544 3HZ LYS 69 3HZ LYS 69 -1.894 -10.340 16.241 545 H ASN 70 H ASN 70 0.355 -9.647 10.300 546 HA ASN 70 HA ASN 70 2.810 -10.729 9.764 547 1HB ASN 70 2HB ASN 70 1.430 -12.129 11.902 548 2HB ASN 70 1HB ASN 70 1.465 -13.177 10.498 549 1HD2 ASN 70 1HD2 ASN 70 2.823 -13.712 12.858 550 2HD2 ASN 70 2HD2 ASN 70 4.533 -13.677 12.584 551 H GLY 71 H GLY 71 2.568 -12.510 8.004 552 1HA GLY 71 2HA GLY 71 -0.061 -12.233 6.676 553 2HA GLY 71 1HA GLY 71 1.478 -12.347 5.848 Start of MODEL 4 1 H MET 1 H MET 1 5.013 14.907 8.112 2 HA MET 1 HA MET 1 6.120 16.862 9.930 3 1HB MET 1 2HB MET 1 5.266 16.758 7.033 4 2HB MET 1 1HB MET 1 5.158 18.319 7.822 5 1HG MET 1 2HG MET 1 7.565 18.142 8.501 6 2HG MET 1 1HG MET 1 7.672 16.579 7.715 7 1HE MET 1 1HE MET 1 9.659 18.919 5.291 8 2HE MET 1 2HE MET 1 9.606 18.933 7.070 9 3HE MET 1 3HE MET 1 9.675 17.384 6.193 10 H SER 2 H SER 2 3.005 15.900 8.384 11 HA SER 2 HA SER 2 1.520 16.695 10.565 12 1HB SER 2 2HB SER 2 2.282 18.942 9.138 13 2HB SER 2 1HB SER 2 0.728 18.582 8.413 14 HG SER 2 HG SER 2 -0.237 18.619 10.533 15 H THR 3 H THR 3 1.472 14.357 9.288 16 HA THR 3 HA THR 3 -1.166 14.127 8.333 17 HB THR 3 HB THR 3 -0.095 15.203 6.310 18 HG1 THR 3 1HG THR 3 -1.693 13.824 5.602 19 1HG2 THR 3 1HG2 THR 3 2.179 14.313 6.350 20 2HG2 THR 3 2HG2 THR 3 1.575 12.641 6.424 21 3HG2 THR 3 3HG2 THR 3 1.363 13.598 4.939 22 H LYS 4 H LYS 4 -1.643 11.834 7.619 23 HA LYS 4 HA LYS 4 0.322 10.015 8.820 24 1HB LYS 4 2HB LYS 4 -2.523 10.461 9.536 25 2HB LYS 4 1HB LYS 4 -2.030 8.785 9.397 26 1HG LYS 4 2HG LYS 4 0.068 9.596 10.836 27 2HG LYS 4 1HG LYS 4 -0.996 10.914 11.281 28 1HD LYS 4 2HD LYS 4 -2.738 8.911 11.709 29 2HD LYS 4 1HD LYS 4 -1.270 7.968 11.876 30 1HE LYS 4 2HE LYS 4 -1.120 10.534 13.335 31 2HE LYS 4 1HE LYS 4 -2.459 9.541 13.876 32 1HZ LYS 4 1HZ LYS 4 -0.650 8.842 15.104 33 2HZ LYS 4 2HZ LYS 4 -0.762 7.694 13.948 34 3HZ LYS 4 3HZ LYS 4 0.382 8.854 13.838 35 H LEU 5 H LEU 5 0.976 8.459 7.436 36 HA LEU 5 HA LEU 5 -0.778 7.073 5.765 37 1HB LEU 5 2HB LEU 5 -0.194 7.873 3.592 38 2HB LEU 5 1HB LEU 5 -0.880 9.181 4.534 39 HG LEU 5 HG LEU 5 2.048 8.765 3.879 40 1HD1 LEU 5 1HD1 LEU 5 -0.108 10.144 2.545 41 2HD1 LEU 5 2HD1 LEU 5 1.160 11.293 3.037 42 3HD1 LEU 5 3HD1 LEU 5 1.576 9.888 2.025 43 1HD2 LEU 5 1HD2 LEU 5 0.720 10.836 5.640 44 2HD2 LEU 5 2HD2 LEU 5 1.983 9.662 6.085 45 3HD2 LEU 5 3HD2 LEU 5 2.363 11.001 4.976 46 H TYR 6 H TYR 6 0.282 5.280 4.762 47 HA TYR 6 HA TYR 6 3.166 5.145 5.016 48 1HB TYR 6 2HB TYR 6 2.005 4.427 7.224 49 2HB TYR 6 1HB TYR 6 1.186 3.173 6.314 50 HD1 TYR 6 1HD TYR 6 4.691 4.412 6.874 51 HD2 TYR 6 2HD TYR 6 2.100 1.043 6.376 52 HE1 TYR 6 1HE TYR 6 6.649 2.838 7.265 53 HE2 TYR 6 2HE TYR 6 4.067 -0.519 6.770 54 HH TYR 6 HH TYR 6 7.310 0.651 6.841 55 H GLY 7 H GLY 7 3.835 4.377 3.078 56 1HA GLY 7 2HA GLY 7 4.021 2.941 1.338 57 2HA GLY 7 1HA GLY 7 2.761 1.939 2.028 58 H ASP 8 H ASP 8 3.017 5.325 0.705 59 HA ASP 8 HA ASP 8 0.401 4.992 -0.425 60 1HB ASP 8 2HB ASP 8 1.648 7.141 0.671 61 2HB ASP 8 1HB ASP 8 2.111 7.400 -0.999 62 H VAL 9 H VAL 9 0.010 5.268 -2.777 63 HA VAL 9 HA VAL 9 2.340 4.465 -4.351 64 HB VAL 9 HB VAL 9 -0.640 4.272 -4.818 65 1HG1 VAL 9 1HG1 VAL 9 1.205 4.613 -6.815 66 2HG1 VAL 9 2HG1 VAL 9 1.161 2.840 -6.666 67 3HG1 VAL 9 3HG1 VAL 9 -0.339 3.744 -6.989 68 1HG2 VAL 9 1HG2 VAL 9 1.491 2.384 -3.911 69 2HG2 VAL 9 2HG2 VAL 9 -0.216 2.508 -3.424 70 3HG2 VAL 9 3HG2 VAL 9 0.214 1.748 -4.974 71 H ASN 10 H ASN 10 -0.599 6.594 -4.633 72 HA ASN 10 HA ASN 10 0.999 8.259 -6.397 73 1HB ASN 10 2HB ASN 10 -1.403 9.329 -6.766 74 2HB ASN 10 1HB ASN 10 -1.022 7.798 -7.530 75 1HD2 ASN 10 1HD2 ASN 10 -3.015 6.944 -7.602 76 2HD2 ASN 10 2HD2 ASN 10 -3.967 6.503 -6.223 77 H ASP 11 H ASP 11 1.178 8.160 -3.380 78 HA ASP 11 HA ASP 11 1.188 9.450 -1.632 79 1HB ASP 11 2HB ASP 11 1.367 11.545 -3.834 80 2HB ASP 11 1HB ASP 11 1.459 11.997 -2.143 81 H ASP 12 H ASP 12 -1.411 8.612 -2.260 82 HA ASP 12 HA ASP 12 -3.045 11.000 -2.142 83 1HB ASP 12 2HB ASP 12 -3.887 9.476 -3.759 84 2HB ASP 12 1HB ASP 12 -3.551 8.078 -2.757 85 H GLY 13 H GLY 13 -2.657 7.728 -0.575 86 1HA GLY 13 2HA GLY 13 -3.038 8.873 2.053 87 2HA GLY 13 1HA GLY 13 -4.357 7.854 1.512 88 H LYS 14 H LYS 14 -2.922 5.926 -0.052 89 HA LYS 14 HA LYS 14 -0.689 4.884 1.236 90 1HB LYS 14 2HB LYS 14 -1.962 2.860 2.275 91 2HB LYS 14 1HB LYS 14 -1.777 4.344 3.190 92 1HG LYS 14 2HG LYS 14 -4.162 4.536 1.534 93 2HG LYS 14 1HG LYS 14 -4.213 3.038 2.445 94 1HD LYS 14 2HD LYS 14 -4.267 4.123 4.514 95 2HD LYS 14 1HD LYS 14 -3.375 5.515 3.935 96 1HE LYS 14 2HE LYS 14 -5.602 5.799 2.403 97 2HE LYS 14 1HE LYS 14 -6.319 4.929 3.745 98 1HZ LYS 14 1HZ LYS 14 -5.709 7.584 3.661 99 2HZ LYS 14 2HZ LYS 14 -6.196 6.739 4.971 100 3HZ LYS 14 3HZ LYS 14 -4.603 6.948 4.681 101 H VAL 15 H VAL 15 -0.912 2.181 0.759 102 HA VAL 15 HA VAL 15 -1.645 2.162 -2.086 103 HB VAL 15 HB VAL 15 0.748 1.996 -1.652 104 1HG1 VAL 15 1HG1 VAL 15 1.681 0.741 -0.045 105 2HG1 VAL 15 2HG1 VAL 15 0.032 0.537 0.594 106 3HG1 VAL 15 3HG1 VAL 15 0.725 -0.693 -0.490 107 1HG2 VAL 15 1HG2 VAL 15 1.110 0.415 -3.255 108 2HG2 VAL 15 2HG2 VAL 15 0.087 -0.799 -2.450 109 3HG2 VAL 15 3HG2 VAL 15 -0.661 0.514 -3.392 110 H ASN 16 H ASN 16 -3.674 1.294 -2.204 111 HA ASN 16 HA ASN 16 -3.936 -1.351 -1.076 112 1HB ASN 16 2HB ASN 16 -6.428 0.245 -0.836 113 2HB ASN 16 1HB ASN 16 -5.710 -0.863 0.317 114 1HD2 ASN 16 1HD2 ASN 16 -5.415 2.368 -1.093 115 2HD2 ASN 16 2HD2 ASN 16 -4.732 3.162 0.288 116 H SER 17 H SER 17 -6.804 -1.519 -1.753 117 HA SER 17 HA SER 17 -6.603 -2.132 -4.431 118 1HB SER 17 2HB SER 17 -8.278 -3.234 -3.132 119 2HB SER 17 1HB SER 17 -8.955 -1.723 -2.558 120 HG SER 17 HG SER 17 -9.766 -1.290 -4.677 121 H THR 18 H THR 18 -6.937 0.916 -2.863 122 HA THR 18 HA THR 18 -8.479 2.211 -4.904 123 HB THR 18 HB THR 18 -6.791 3.177 -2.539 124 HG1 THR 18 1HG THR 18 -9.657 3.032 -3.150 125 1HG2 THR 18 1HG2 THR 18 -7.458 4.810 -4.632 126 2HG2 THR 18 2HG2 THR 18 -8.991 4.836 -3.728 127 3HG2 THR 18 3HG2 THR 18 -7.484 5.359 -2.940 128 H ASP 19 H ASP 19 -4.989 1.856 -4.111 129 HA ASP 19 HA ASP 19 -4.424 3.371 -6.516 130 1HB ASP 19 2HB ASP 19 -2.731 2.444 -4.161 131 2HB ASP 19 1HB ASP 19 -1.994 3.084 -5.617 132 H ALA 20 H ALA 20 -5.525 0.541 -6.413 133 HA ALA 20 HA ALA 20 -3.426 -1.278 -6.904 134 1HB ALA 20 1HB ALA 20 -6.283 -1.270 -6.662 135 2HB ALA 20 2HB ALA 20 -5.859 -2.088 -8.185 136 3HB ALA 20 3HB ALA 20 -5.174 -2.662 -6.646 137 H VAL 21 H VAL 21 -5.024 1.204 -8.808 138 HA VAL 21 HA VAL 21 -4.718 0.179 -11.355 139 HB VAL 21 HB VAL 21 -4.760 2.936 -10.166 140 1HG1 VAL 21 1HG1 VAL 21 -3.780 2.199 -12.831 141 2HG1 VAL 21 2HG1 VAL 21 -5.141 3.345 -12.876 142 3HG1 VAL 21 3HG1 VAL 21 -3.671 3.744 -11.955 143 1HG2 VAL 21 1HG2 VAL 21 -6.654 1.222 -11.778 144 2HG2 VAL 21 2HG2 VAL 21 -6.899 1.966 -10.179 145 3HG2 VAL 21 3HG2 VAL 21 -6.875 2.982 -11.640 146 H ALA 22 H ALA 22 -2.459 2.408 -9.570 147 HA ALA 22 HA ALA 22 -0.411 2.074 -11.487 148 1HB ALA 22 1HB ALA 22 0.259 3.910 -10.382 149 2HB ALA 22 2HB ALA 22 -0.959 3.620 -9.117 150 3HB ALA 22 3HB ALA 22 0.662 2.896 -8.977 151 H LEU 23 H LEU 23 -1.488 0.276 -8.642 152 HA LEU 23 HA LEU 23 0.906 -1.031 -8.052 153 1HB LEU 23 2HB LEU 23 -1.482 -0.874 -6.890 154 2HB LEU 23 1HB LEU 23 -1.711 -2.408 -7.704 155 HG LEU 23 HG LEU 23 -0.951 -3.049 -5.618 156 1HD1 LEU 23 1HD1 LEU 23 1.354 -3.884 -5.880 157 2HD1 LEU 23 2HD1 LEU 23 0.356 -4.168 -7.325 158 3HD1 LEU 23 3HD1 LEU 23 1.553 -2.849 -7.315 159 1HD2 LEU 23 1HD2 LEU 23 0.361 -1.870 -4.175 160 2HD2 LEU 23 2HD2 LEU 23 1.390 -1.205 -5.466 161 3HD2 LEU 23 3HD2 LEU 23 -0.232 -0.529 -5.184 162 H LYS 24 H LYS 24 -1.936 -2.200 -10.000 163 HA LYS 24 HA LYS 24 -0.821 -4.530 -10.879 164 1HB LYS 24 2HB LYS 24 -3.180 -3.805 -11.171 165 2HB LYS 24 1HB LYS 24 -2.672 -2.695 -12.429 166 1HG LYS 24 2HG LYS 24 -2.269 -4.384 -13.964 167 2HG LYS 24 1HG LYS 24 -1.726 -5.519 -12.742 168 1HD LYS 24 2HD LYS 24 -4.130 -5.749 -11.962 169 2HD LYS 24 1HD LYS 24 -4.624 -4.716 -13.290 170 1HE LYS 24 2HE LYS 24 -3.677 -6.332 -14.929 171 2HE LYS 24 1HE LYS 24 -3.113 -7.353 -13.621 172 1HZ LYS 24 1HZ LYS 24 -5.686 -7.185 -14.731 173 2HZ LYS 24 2HZ LYS 24 -5.087 -8.294 -13.692 174 3HZ LYS 24 3HZ LYS 24 -5.760 -6.919 -13.122 175 H ARG 25 H ARG 25 -0.347 -1.189 -12.110 176 HA ARG 25 HA ARG 25 1.031 -1.940 -14.388 177 1HB ARG 25 2HB ARG 25 0.707 0.558 -12.756 178 2HB ARG 25 1HB ARG 25 2.099 0.524 -13.821 179 1HG ARG 25 2HG ARG 25 0.809 0.790 -15.678 180 2HG ARG 25 1HG ARG 25 -0.285 -0.491 -15.194 181 1HD ARG 25 2HD ARG 25 -1.817 0.980 -14.334 182 2HD ARG 25 1HD ARG 25 -0.587 1.927 -13.521 183 HE ARG 25 HE ARG 25 -0.535 3.387 -15.348 184 1HH1 ARG 25 2HH2 ARG 25 -2.071 0.377 -16.326 185 2HH1 ARG 25 1HH2 ARG 25 -2.546 0.976 -17.881 186 1HH2 ARG 25 2HH1 ARG 25 -1.160 4.178 -17.400 187 2HH2 ARG 25 1HH1 ARG 25 -2.023 3.152 -18.495 188 H TYR 26 H TYR 26 1.960 -1.636 -10.976 189 HA TYR 26 HA TYR 26 4.778 -1.570 -11.500 190 1HB TYR 26 2HB TYR 26 3.211 -0.760 -9.468 191 2HB TYR 26 1HB TYR 26 3.323 -2.429 -8.945 192 HD1 TYR 26 1HD TYR 26 5.939 -3.323 -9.079 193 HD2 TYR 26 2HD TYR 26 4.650 0.699 -8.399 194 HE1 TYR 26 1HE TYR 26 8.142 -2.805 -7.921 195 HE2 TYR 26 2HE TYR 26 6.857 1.203 -7.244 196 HH TYR 26 HH TYR 26 8.950 -1.205 -6.229 197 H VAL 27 H VAL 27 2.410 -4.020 -10.242 198 HA VAL 27 HA VAL 27 4.172 -6.063 -9.788 199 HB VAL 27 HB VAL 27 1.407 -6.373 -10.960 200 1HG1 VAL 27 1HG1 VAL 27 2.833 -8.051 -8.874 201 2HG1 VAL 27 2HG1 VAL 27 1.309 -8.418 -9.716 202 3HG1 VAL 27 3HG1 VAL 27 2.845 -8.416 -10.616 203 1HG2 VAL 27 1HG2 VAL 27 2.270 -5.196 -8.383 204 2HG2 VAL 27 2HG2 VAL 27 0.752 -4.996 -9.290 205 3HG2 VAL 27 3HG2 VAL 27 0.997 -6.435 -8.271 206 H LEU 28 H LEU 28 2.482 -5.185 -12.872 207 HA LEU 28 HA LEU 28 3.524 -7.276 -14.376 208 1HB LEU 28 2HB LEU 28 1.974 -4.896 -14.771 209 2HB LEU 28 1HB LEU 28 3.188 -5.004 -16.031 210 HG LEU 28 HG LEU 28 1.394 -7.338 -15.358 211 1HD1 LEU 28 1HD1 LEU 28 0.590 -5.864 -17.731 212 2HD1 LEU 28 2HD1 LEU 28 -0.383 -6.452 -16.362 213 3HD1 LEU 28 3HD1 LEU 28 0.445 -4.881 -16.255 214 1HD2 LEU 28 1HD2 LEU 28 3.338 -7.907 -16.667 215 2HD2 LEU 28 2HD2 LEU 28 1.893 -7.978 -17.703 216 3HD2 LEU 28 3HD2 LEU 28 3.003 -6.589 -17.815 217 H ARG 29 H ARG 29 4.834 -4.043 -13.528 218 HA ARG 29 HA ARG 29 7.417 -4.838 -13.656 219 1HB ARG 29 2HB ARG 29 8.182 -3.691 -15.811 220 2HB ARG 29 1HB ARG 29 7.294 -5.182 -16.049 221 1HG ARG 29 2HG ARG 29 6.335 -3.642 -17.605 222 2HG ARG 29 1HG ARG 29 5.171 -3.741 -16.298 223 1HD ARG 29 2HD ARG 29 5.489 -1.554 -15.678 224 2HD ARG 29 1HD ARG 29 7.230 -1.653 -15.854 225 HE ARG 29 HE ARG 29 5.382 -0.636 -17.818 226 1HH1 ARG 29 2HH2 ARG 29 8.358 -2.494 -17.548 227 2HH1 ARG 29 1HH2 ARG 29 8.932 -2.043 -19.119 228 1HH2 ARG 29 2HH1 ARG 29 6.138 -0.042 -19.890 229 2HH2 ARG 29 1HH1 ARG 29 7.660 -0.638 -20.460 230 H SER 30 H SER 30 8.952 -2.737 -13.956 231 HA SER 30 HA SER 30 7.663 -0.724 -12.373 232 1HB SER 30 2HB SER 30 10.548 -0.781 -13.348 233 2HB SER 30 1HB SER 30 9.905 0.148 -12.010 234 HG SER 30 HG SER 30 9.315 -2.512 -11.647 235 H GLY 31 H GLY 31 6.491 0.825 -13.459 236 1HA GLY 31 2HA GLY 31 7.724 1.983 -15.885 237 2HA GLY 31 1HA GLY 31 6.017 1.595 -15.794 238 H ILE 32 H ILE 32 4.881 2.541 -13.682 239 HA ILE 32 HA ILE 32 5.258 5.359 -13.845 240 HB ILE 32 HB ILE 32 3.313 5.521 -12.543 241 1HG1 ILE 32 2HG1 ILE 32 4.114 3.927 -10.756 242 2HG1 ILE 32 1HG1 ILE 32 2.401 3.869 -11.124 243 1HG2 ILE 32 1HG2 ILE 32 2.521 4.885 -14.584 244 2HG2 ILE 32 2HG2 ILE 32 3.360 3.316 -14.553 245 3HG2 ILE 32 3HG2 ILE 32 1.880 3.552 -13.593 246 1HD1 ILE 32 1HD1 ILE 32 3.001 1.588 -11.073 247 2HD1 ILE 32 2HD1 ILE 32 3.053 1.963 -12.812 248 3HD1 ILE 32 3HD1 ILE 32 4.563 1.884 -11.874 249 H SER 33 H SER 33 5.098 6.543 -11.498 250 HA SER 33 HA SER 33 7.374 5.453 -10.034 251 1HB SER 33 2HB SER 33 8.090 7.694 -9.554 252 2HB SER 33 1HB SER 33 7.732 7.647 -11.269 253 HG SER 33 HG SER 33 6.834 9.471 -9.759 254 H ILE 34 H ILE 34 6.896 4.762 -7.982 255 HA ILE 34 HA ILE 34 4.798 6.185 -6.534 256 HB ILE 34 HB ILE 34 3.799 4.092 -5.796 257 1HG1 ILE 34 2HG1 ILE 34 5.246 2.545 -7.916 258 2HG1 ILE 34 1HG1 ILE 34 6.050 2.821 -6.384 259 1HG2 ILE 34 1HG2 ILE 34 3.869 4.339 -8.816 260 2HG2 ILE 34 2HG2 ILE 34 2.605 3.546 -7.845 261 3HG2 ILE 34 3HG2 ILE 34 2.856 5.304 -7.715 262 1HD1 ILE 34 1HD1 ILE 34 4.890 0.788 -6.032 263 2HD1 ILE 34 2HD1 ILE 34 3.815 1.998 -5.292 264 3HD1 ILE 34 3HD1 ILE 34 3.448 1.353 -6.910 265 H ASN 35 H ASN 35 4.820 5.241 -4.124 266 HA ASN 35 HA ASN 35 7.591 5.455 -3.371 267 1HB ASN 35 2HB ASN 35 5.210 5.277 -1.473 268 2HB ASN 35 1HB ASN 35 6.766 6.024 -1.172 269 1HD2 ASN 35 1HD2 ASN 35 3.746 6.251 -2.942 270 2HD2 ASN 35 2HD2 ASN 35 3.783 7.952 -3.268 271 H THR 36 H THR 36 7.192 3.002 -4.570 272 HA THR 36 HA THR 36 6.117 0.912 -3.204 273 HB THR 36 HB THR 36 6.998 0.448 -5.349 274 HG1 THR 36 1HG THR 36 7.707 -1.060 -3.541 275 1HG2 THR 36 1HG2 THR 36 9.752 0.797 -5.365 276 2HG2 THR 36 2HG2 THR 36 8.595 1.945 -6.082 277 3HG2 THR 36 3HG2 THR 36 9.215 2.218 -4.437 278 H ASP 37 H ASP 37 8.878 2.868 -2.265 279 HA ASP 37 HA ASP 37 10.251 1.119 -0.717 280 1HB ASP 37 2HB ASP 37 9.731 4.067 -0.681 281 2HB ASP 37 1HB ASP 37 10.364 3.400 0.810 282 H ASN 38 H ASN 38 8.001 3.619 0.682 283 HA ASN 38 HA ASN 38 7.666 2.241 3.053 284 1HB ASN 38 2HB ASN 38 7.062 4.756 2.199 285 2HB ASN 38 1HB ASN 38 5.463 4.052 2.067 286 1HD2 ASN 38 1HD2 ASN 38 5.338 5.888 3.742 287 2HD2 ASN 38 2HD2 ASN 38 5.453 5.421 5.406 288 H ALA 39 H ALA 39 6.159 2.003 -0.131 289 HA ALA 39 HA ALA 39 3.693 0.893 0.625 290 1HB ALA 39 1HB ALA 39 4.866 0.009 -1.941 291 2HB ALA 39 2HB ALA 39 3.347 0.879 -1.616 292 3HB ALA 39 3HB ALA 39 4.885 1.771 -1.697 293 H ASP 40 H ASP 40 6.783 -0.645 -0.523 294 HA ASP 40 HA ASP 40 5.861 -3.228 -0.150 295 1HB ASP 40 2HB ASP 40 7.819 -2.784 -1.522 296 2HB ASP 40 1HB ASP 40 8.654 -2.011 -0.189 297 H LEU 41 H LEU 41 5.930 -4.609 1.690 298 HA LEU 41 HA LEU 41 7.366 -3.676 4.038 299 1HB LEU 41 2HB LEU 41 4.433 -4.377 4.164 300 2HB LEU 41 1HB LEU 41 5.463 -3.877 5.491 301 HG LEU 41 HG LEU 41 4.740 -2.132 3.119 302 1HD1 LEU 41 1HD1 LEU 41 3.322 -0.905 4.774 303 2HD1 LEU 41 2HD1 LEU 41 2.741 -2.539 4.370 304 3HD1 LEU 41 3HD1 LEU 41 3.579 -2.248 5.913 305 1HD2 LEU 41 1HD2 LEU 41 6.854 -1.900 4.947 306 2HD2 LEU 41 2HD2 LEU 41 6.241 -0.659 3.827 307 3HD2 LEU 41 3HD2 LEU 41 5.622 -0.738 5.494 308 H ASN 42 H ASN 42 7.244 -5.897 1.817 309 HA ASN 42 HA ASN 42 7.843 -7.978 3.697 310 1HB ASN 42 2HB ASN 42 6.042 -8.759 1.391 311 2HB ASN 42 1HB ASN 42 6.270 -9.572 2.926 312 1HD2 ASN 42 1HD2 ASN 42 4.462 -9.580 4.011 313 2HD2 ASN 42 2HD2 ASN 42 3.365 -8.261 4.240 314 H GLU 43 H GLU 43 9.042 -6.122 1.517 315 HA GLU 43 HA GLU 43 10.541 -6.209 -0.050 316 1HB GLU 43 2HB GLU 43 10.797 -9.012 1.051 317 2HB GLU 43 1HB GLU 43 11.715 -8.570 -0.375 318 1HG GLU 43 2HG GLU 43 12.784 -6.705 0.815 319 2HG GLU 43 1HG GLU 43 11.756 -6.951 2.213 320 H ASP 44 H ASP 44 8.000 -6.208 -1.021 321 HA ASP 44 HA ASP 44 8.175 -8.124 -3.212 322 1HB ASP 44 2HB ASP 44 5.524 -6.911 -2.505 323 2HB ASP 44 1HB ASP 44 5.878 -8.507 -3.136 324 H GLY 45 H GLY 45 7.307 -4.852 -1.996 325 1HA GLY 45 2HA GLY 45 8.196 -3.131 -3.649 326 2HA GLY 45 1HA GLY 45 7.070 -3.871 -4.770 327 H ARG 46 H ARG 46 4.731 -4.262 -3.598 328 HA ARG 46 HA ARG 46 4.145 -1.912 -2.021 329 1HB ARG 46 2HB ARG 46 2.212 -2.625 -4.229 330 2HB ARG 46 1HB ARG 46 2.497 -1.069 -3.475 331 1HG ARG 46 2HG ARG 46 3.627 -0.638 -5.432 332 2HG ARG 46 1HG ARG 46 4.946 -1.435 -4.596 333 1HD ARG 46 2HD ARG 46 3.305 -3.491 -5.785 334 2HD ARG 46 1HD ARG 46 3.593 -2.271 -7.010 335 HE ARG 46 HE ARG 46 6.102 -2.581 -5.969 336 1HH1 ARG 46 2HH2 ARG 46 3.712 -4.928 -7.047 337 2HH1 ARG 46 1HH2 ARG 46 4.892 -6.104 -7.520 338 1HH2 ARG 46 2HH1 ARG 46 7.660 -4.132 -6.594 339 2HH2 ARG 46 1HH1 ARG 46 7.153 -5.648 -7.261 340 H VAL 47 H VAL 47 2.222 -4.447 -3.797 341 HA VAL 47 HA VAL 47 1.615 -5.778 -1.316 342 HB VAL 47 HB VAL 47 -0.728 -5.440 -1.359 343 1HG1 VAL 47 1HG1 VAL 47 -0.930 -3.041 -0.934 344 2HG1 VAL 47 2HG1 VAL 47 0.594 -3.669 -0.264 345 3HG1 VAL 47 3HG1 VAL 47 0.604 -2.743 -1.786 346 1HG2 VAL 47 1HG2 VAL 47 -1.974 -4.370 -3.038 347 2HG2 VAL 47 2HG2 VAL 47 -0.533 -3.603 -3.749 348 3HG2 VAL 47 3HG2 VAL 47 -0.795 -5.354 -3.936 349 H ASN 48 H ASN 48 0.810 -7.911 -1.667 350 HA ASN 48 HA ASN 48 0.885 -8.663 -4.484 351 1HB ASN 48 2HB ASN 48 1.704 -10.320 -2.038 352 2HB ASN 48 1HB ASN 48 1.732 -10.899 -3.692 353 1HD2 ASN 48 1HD2 ASN 48 2.837 -9.190 -5.227 354 2HD2 ASN 48 2HD2 ASN 48 4.411 -8.670 -4.727 355 H SER 49 H SER 49 -0.158 -9.877 -1.198 356 HA SER 49 HA SER 49 -2.847 -10.066 -2.091 357 1HB SER 49 2HB SER 49 -2.981 -12.564 -1.498 358 2HB SER 49 1HB SER 49 -2.236 -12.162 -3.033 359 HG SER 49 HG SER 49 -0.582 -13.319 -2.325 360 H THR 50 H THR 50 -0.292 -10.871 0.316 361 HA THR 50 HA THR 50 -2.223 -10.876 2.480 362 HB THR 50 HB THR 50 0.800 -11.297 2.253 363 HG1 THR 50 1HG THR 50 -0.079 -13.474 2.890 364 1HG2 THR 50 1HG2 THR 50 0.526 -10.519 4.515 365 2HG2 THR 50 2HG2 THR 50 -1.069 -11.293 4.666 366 3HG2 THR 50 3HG2 THR 50 0.405 -12.291 4.631 367 H ASP 51 H ASP 51 0.021 -8.665 0.891 368 HA ASP 51 HA ASP 51 0.237 -6.906 3.054 369 1HB ASP 51 2HB ASP 51 0.809 -6.865 0.113 370 2HB ASP 51 1HB ASP 51 0.613 -5.296 0.870 371 H LEU 52 H LEU 52 -1.591 -6.705 -0.104 372 HA LEU 52 HA LEU 52 -3.006 -4.454 0.284 373 1HB LEU 52 2HB LEU 52 -4.790 -5.550 -1.098 374 2HB LEU 52 1HB LEU 52 -3.171 -5.544 -1.768 375 HG LEU 52 HG LEU 52 -3.080 -7.955 -0.619 376 1HD1 LEU 52 1HD1 LEU 52 -5.927 -7.227 -0.587 377 2HD1 LEU 52 2HD1 LEU 52 -5.581 -8.788 -1.368 378 3HD1 LEU 52 3HD1 LEU 52 -5.047 -8.492 0.304 379 1HD2 LEU 52 1HD2 LEU 52 -2.618 -8.187 -2.797 380 2HD2 LEU 52 2HD2 LEU 52 -4.334 -8.630 -2.961 381 3HD2 LEU 52 3HD2 LEU 52 -3.811 -6.959 -3.284 382 H GLY 53 H GLY 53 -3.795 -7.725 1.603 383 1HA GLY 53 2HA GLY 53 -6.229 -7.137 2.778 384 2HA GLY 53 1HA GLY 53 -5.084 -8.338 3.338 385 H ILE 54 H ILE 54 -3.203 -7.528 4.725 386 HA ILE 54 HA ILE 54 -4.064 -6.318 6.975 387 HB ILE 54 HB ILE 54 -1.605 -7.178 5.868 388 1HG1 ILE 54 2HG1 ILE 54 -2.584 -6.549 8.658 389 2HG1 ILE 54 1HG1 ILE 54 -2.483 -8.112 7.871 390 1HG2 ILE 54 1HG2 ILE 54 -1.416 -4.463 7.199 391 2HG2 ILE 54 2HG2 ILE 54 -0.044 -5.565 6.930 392 3HG2 ILE 54 3HG2 ILE 54 -0.928 -4.890 5.541 393 1HD1 ILE 54 1HD1 ILE 54 -0.278 -6.424 9.040 394 2HD1 ILE 54 2HD1 ILE 54 -0.550 -8.178 9.171 395 3HD1 ILE 54 3HD1 ILE 54 0.111 -7.489 7.669 396 H LEU 55 H LEU 55 -2.645 -4.713 4.066 397 HA LEU 55 HA LEU 55 -2.592 -2.144 5.121 398 1HB LEU 55 2HB LEU 55 -2.659 -3.331 2.380 399 2HB LEU 55 1HB LEU 55 -2.892 -1.604 2.558 400 HG LEU 55 HG LEU 55 -0.643 -2.132 4.124 401 1HD1 LEU 55 1HD1 LEU 55 0.838 -3.273 2.358 402 2HD1 LEU 55 2HD1 LEU 55 -0.219 -4.296 3.359 403 3HD1 LEU 55 3HD1 LEU 55 -0.685 -3.903 1.686 404 1HD2 LEU 55 1HD2 LEU 55 -0.317 -1.285 1.274 405 2HD2 LEU 55 2HD2 LEU 55 -1.318 -0.290 2.359 406 3HD2 LEU 55 3HD2 LEU 55 0.386 -0.608 2.762 407 H LYS 56 H LYS 56 -5.135 -3.756 3.084 408 HA LYS 56 HA LYS 56 -6.925 -1.605 3.294 409 1HB LYS 56 2HB LYS 56 -6.965 -3.327 1.514 410 2HB LYS 56 1HB LYS 56 -7.468 -4.527 2.688 411 1HG LYS 56 2HG LYS 56 -9.621 -3.901 2.369 412 2HG LYS 56 1HG LYS 56 -9.243 -2.327 3.042 413 1HD LYS 56 2HD LYS 56 -8.213 -2.184 0.428 414 2HD LYS 56 1HD LYS 56 -9.695 -3.098 0.232 415 1HE LYS 56 2HE LYS 56 -11.030 -1.340 1.224 416 2HE LYS 56 1HE LYS 56 -9.616 -0.505 1.831 417 1HZ LYS 56 1HZ LYS 56 -10.218 -0.896 -1.018 418 2HZ LYS 56 2HZ LYS 56 -10.490 0.482 -0.186 419 3HZ LYS 56 3HZ LYS 56 -8.961 -0.047 -0.413 420 H ARG 57 H ARG 57 -5.729 -3.656 5.680 421 HA ARG 57 HA ARG 57 -8.225 -3.798 7.098 422 1HB ARG 57 2HB ARG 57 -5.745 -5.279 7.100 423 2HB ARG 57 1HB ARG 57 -5.970 -4.634 8.713 424 1HG ARG 57 2HG ARG 57 -8.337 -5.920 7.345 425 2HG ARG 57 1HG ARG 57 -7.077 -6.963 7.975 426 1HD ARG 57 2HD ARG 57 -7.517 -6.399 10.199 427 2HD ARG 57 1HD ARG 57 -8.060 -4.783 9.800 428 HE ARG 57 HE ARG 57 -9.692 -7.236 9.791 429 1HH1 ARG 57 2HH2 ARG 57 -9.454 -3.877 8.767 430 2HH1 ARG 57 1HH2 ARG 57 -11.163 -3.687 8.561 431 1HH2 ARG 57 2HH1 ARG 57 -11.946 -6.984 9.520 432 2HH2 ARG 57 1HH1 ARG 57 -12.591 -5.465 8.993 433 H TYR 58 H TYR 58 -4.936 -2.311 7.353 434 HA TYR 58 HA TYR 58 -5.731 -0.839 9.721 435 1HB TYR 58 2HB TYR 58 -3.389 -0.609 9.906 436 2HB TYR 58 1HB TYR 58 -3.405 -1.982 8.817 437 HD1 TYR 58 1HD TYR 58 -2.012 -1.855 6.973 438 HD2 TYR 58 2HD TYR 58 -3.629 1.766 8.579 439 HE1 TYR 58 1HE TYR 58 -0.706 -0.503 5.259 440 HE2 TYR 58 2HE TYR 58 -2.319 3.104 6.861 441 HH TYR 58 HH TYR 58 -0.249 1.454 4.486 442 H ILE 59 H ILE 59 -5.303 -0.380 6.216 443 HA ILE 59 HA ILE 59 -5.290 2.467 6.382 444 HB ILE 59 HB ILE 59 -5.206 2.435 4.044 445 1HG1 ILE 59 2HG1 ILE 59 -5.575 -0.190 3.159 446 2HG1 ILE 59 1HG1 ILE 59 -6.879 0.063 4.300 447 1HG2 ILE 59 1HG2 ILE 59 -3.114 1.727 4.349 448 2HG2 ILE 59 2HG2 ILE 59 -3.608 0.500 5.541 449 3HG2 ILE 59 3HG2 ILE 59 -3.697 0.137 3.800 450 1HD1 ILE 59 1HD1 ILE 59 -7.006 0.848 1.697 451 2HD1 ILE 59 2HD1 ILE 59 -7.901 1.666 3.000 452 3HD1 ILE 59 3HD1 ILE 59 -6.353 2.335 2.428 453 H LEU 60 H LEU 60 -7.631 0.237 7.140 454 HA LEU 60 HA LEU 60 -9.864 1.296 5.779 455 1HB LEU 60 2HB LEU 60 -9.363 -0.936 7.207 456 2HB LEU 60 1HB LEU 60 -10.218 0.001 8.417 457 HG LEU 60 HG LEU 60 -11.847 -1.328 7.363 458 1HD1 LEU 60 1HD1 LEU 60 -13.201 0.399 5.995 459 2HD1 LEU 60 2HD1 LEU 60 -12.830 0.749 7.701 460 3HD1 LEU 60 3HD1 LEU 60 -11.885 1.524 6.407 461 1HD2 LEU 60 1HD2 LEU 60 -10.522 -0.540 4.770 462 2HD2 LEU 60 2HD2 LEU 60 -10.798 -2.165 5.442 463 3HD2 LEU 60 3HD2 LEU 60 -12.169 -1.212 4.825 464 H LYS 61 H LYS 61 -8.481 1.821 9.087 465 HA LYS 61 HA LYS 61 -9.008 4.525 9.119 466 1HB LYS 61 2HB LYS 61 -10.968 4.584 10.702 467 2HB LYS 61 1HB LYS 61 -11.346 4.167 9.042 468 1HG LYS 61 2HG LYS 61 -12.553 2.575 10.344 469 2HG LYS 61 1HG LYS 61 -11.158 1.691 9.757 470 1HD LYS 61 2HD LYS 61 -10.447 1.288 11.872 471 2HD LYS 61 1HD LYS 61 -10.449 3.000 12.248 472 1HE LYS 61 2HE LYS 61 -13.187 2.308 12.204 473 2HE LYS 61 1HE LYS 61 -12.416 0.935 12.971 474 1HZ LYS 61 1HZ LYS 61 -12.866 2.483 14.639 475 2HZ LYS 61 2HZ LYS 61 -11.256 2.601 14.392 476 3HZ LYS 61 3HZ LYS 61 -12.259 3.743 13.794 477 H GLU 62 H GLU 62 -8.700 1.410 10.812 478 HA GLU 62 HA GLU 62 -7.921 2.512 13.259 479 1HB GLU 62 2HB GLU 62 -8.255 -0.110 12.086 480 2HB GLU 62 1HB GLU 62 -6.707 -0.064 12.907 481 1HG GLU 62 2HG GLU 62 -7.658 0.236 15.004 482 2HG GLU 62 1HG GLU 62 -9.008 1.165 14.384 483 H ILE 63 H ILE 63 -6.461 2.830 10.296 484 HA ILE 63 HA ILE 63 -3.905 2.150 10.344 485 HB ILE 63 HB ILE 63 -4.701 3.408 8.550 486 1HG1 ILE 63 2HG1 ILE 63 -2.799 5.310 9.940 487 2HG1 ILE 63 1HG1 ILE 63 -2.290 3.785 9.244 488 1HG2 ILE 63 1HG2 ILE 63 -5.039 6.060 9.377 489 2HG2 ILE 63 2HG2 ILE 63 -6.303 4.908 8.885 490 3HG2 ILE 63 3HG2 ILE 63 -5.874 5.077 10.604 491 1HD1 ILE 63 1HD1 ILE 63 -3.740 4.816 7.150 492 2HD1 ILE 63 2HD1 ILE 63 -3.110 6.306 7.892 493 3HD1 ILE 63 3HD1 ILE 63 -1.985 5.038 7.351 494 H ASP 64 H ASP 64 -2.014 2.544 11.454 495 HA ASP 64 HA ASP 64 -1.551 4.750 13.005 496 1HB ASP 64 2HB ASP 64 -2.942 2.482 14.407 497 2HB ASP 64 1HB ASP 64 -1.609 3.232 15.262 498 H THR 65 H THR 65 0.205 3.789 11.379 499 HA THR 65 HA THR 65 2.355 3.128 11.313 500 HB THR 65 HB THR 65 1.973 3.313 14.027 501 HG1 THR 65 1HG THR 65 3.921 3.607 12.606 502 1HG2 THR 65 1HG2 THR 65 1.476 0.641 13.739 503 2HG2 THR 65 2HG2 THR 65 3.255 0.606 13.787 504 3HG2 THR 65 3HG2 THR 65 2.342 1.305 15.145 505 H LEU 66 H LEU 66 -0.388 1.464 11.022 506 HA LEU 66 HA LEU 66 -0.959 -0.491 10.171 507 1HB LEU 66 2HB LEU 66 0.378 0.076 8.323 508 2HB LEU 66 1HB LEU 66 1.869 -0.272 9.175 509 HG LEU 66 HG LEU 66 -0.025 -2.542 8.796 510 1HD1 LEU 66 1HD1 LEU 66 1.630 -2.441 6.477 511 2HD1 LEU 66 2HD1 LEU 66 -0.146 -2.457 6.585 512 3HD1 LEU 66 3HD1 LEU 66 0.733 -0.909 6.589 513 1HD2 LEU 66 1HD2 LEU 66 2.809 -2.848 8.098 514 2HD2 LEU 66 2HD2 LEU 66 2.531 -2.285 9.764 515 3HD2 LEU 66 3HD2 LEU 66 1.781 -3.798 9.197 516 HA PRO 67 HA PRO 67 0.229 -3.049 13.530 517 1HB PRO 67 2HB PRO 67 -2.058 -4.544 13.611 518 2HB PRO 67 1HB PRO 67 -1.879 -3.020 14.458 519 1HG PRO 67 2HG PRO 67 -3.389 -3.600 11.983 520 2HG PRO 67 1HG PRO 67 -3.535 -2.227 13.062 521 1HD PRO 67 2HD PRO 67 -2.233 -2.269 10.506 522 2HD PRO 67 1HD PRO 67 -2.280 -0.931 11.636 523 H TYR 68 H TYR 68 1.725 -3.565 11.478 524 HA TYR 68 HA TYR 68 1.363 -5.644 9.868 525 1HB TYR 68 2HB TYR 68 3.858 -6.085 10.359 526 2HB TYR 68 1HB TYR 68 3.484 -4.395 10.088 527 HD1 TYR 68 1HD TYR 68 3.859 -2.759 11.783 528 HD2 TYR 68 2HD TYR 68 4.168 -6.919 12.729 529 HE1 TYR 68 1HE TYR 68 4.894 -2.178 14.031 530 HE2 TYR 68 2HE TYR 68 5.202 -6.324 14.974 531 HH TYR 68 HH TYR 68 5.677 -4.727 16.367 532 H LYS 69 H LYS 69 1.432 -7.918 9.883 533 HA LYS 69 HA LYS 69 1.546 -9.150 12.538 534 1HB LYS 69 2HB LYS 69 -0.844 -8.705 11.472 535 2HB LYS 69 1HB LYS 69 -0.460 -10.145 10.548 536 1HG LYS 69 2HG LYS 69 0.066 -11.344 12.716 537 2HG LYS 69 1HG LYS 69 -0.437 -9.915 13.595 538 1HD LYS 69 2HD LYS 69 -2.536 -10.786 13.562 539 2HD LYS 69 1HD LYS 69 -2.590 -10.342 11.868 540 1HE LYS 69 2HE LYS 69 -3.050 -12.606 11.655 541 2HE LYS 69 1HE LYS 69 -1.302 -12.681 11.559 542 1HZ LYS 69 1HZ LYS 69 -1.705 -12.760 14.184 543 2HZ LYS 69 2HZ LYS 69 -3.034 -13.552 13.660 544 3HZ LYS 69 3HZ LYS 69 -1.548 -14.087 13.245 545 H ASN 70 H ASN 70 2.943 -10.835 12.616 546 HA ASN 70 HA ASN 70 4.025 -11.678 10.073 547 1HB ASN 70 2HB ASN 70 5.448 -10.945 12.141 548 2HB ASN 70 1HB ASN 70 5.006 -12.486 12.851 549 1HD2 ASN 70 1HD2 ASN 70 7.620 -11.639 12.225 550 2HD2 ASN 70 2HD2 ASN 70 8.291 -12.693 11.025 551 H GLY 71 H GLY 71 3.990 -13.930 9.438 552 1HA GLY 71 2HA GLY 71 3.698 -16.239 10.241 553 2HA GLY 71 1HA GLY 71 2.300 -15.673 11.132 Start of MODEL 5 1 H MET 1 H MET 1 0.993 21.494 10.651 2 HA MET 1 HA MET 1 1.873 20.124 9.188 3 1HB MET 1 2HB MET 1 4.413 20.776 10.746 4 2HB MET 1 1HB MET 1 4.448 19.517 9.527 5 1HG MET 1 2HG MET 1 3.633 21.129 7.809 6 2HG MET 1 1HG MET 1 3.528 22.390 9.022 7 1HE MET 1 1HE MET 1 5.052 22.930 6.481 8 2HE MET 1 2HE MET 1 5.147 24.077 7.838 9 3HE MET 1 3HE MET 1 6.633 23.552 7.010 10 H SER 2 H SER 2 1.362 17.973 9.157 11 HA SER 2 HA SER 2 2.309 16.362 11.369 12 1HB SER 2 2HB SER 2 -0.576 16.830 10.605 13 2HB SER 2 1HB SER 2 -0.111 15.256 11.221 14 HG SER 2 HG SER 2 1.001 17.191 12.809 15 H THR 3 H THR 3 1.905 13.923 10.853 16 HA THR 3 HA THR 3 1.663 13.404 7.996 17 HB THR 3 HB THR 3 4.090 13.876 8.416 18 HG1 THR 3 1HG THR 3 3.285 12.133 6.952 19 1HG2 THR 3 1HG2 THR 3 5.401 12.380 9.836 20 2HG2 THR 3 2HG2 THR 3 4.102 13.060 10.847 21 3HG2 THR 3 3HG2 THR 3 3.963 11.403 10.213 22 H LYS 4 H LYS 4 0.451 11.652 7.616 23 HA LYS 4 HA LYS 4 0.528 9.450 9.458 24 1HB LYS 4 2HB LYS 4 -1.727 11.394 9.444 25 2HB LYS 4 1HB LYS 4 -2.155 9.696 9.472 26 1HG LYS 4 2HG LYS 4 -1.654 9.598 11.678 27 2HG LYS 4 1HG LYS 4 0.009 10.027 11.326 28 1HD LYS 4 2HD LYS 4 -0.570 11.806 12.711 29 2HD LYS 4 1HD LYS 4 -0.975 12.500 11.153 30 1HE LYS 4 2HE LYS 4 -3.277 12.319 11.503 31 2HE LYS 4 1HE LYS 4 -3.124 10.902 12.523 32 1HZ LYS 4 1HZ LYS 4 -2.581 13.686 13.254 33 2HZ LYS 4 2HZ LYS 4 -3.668 12.664 13.919 34 3HZ LYS 4 3HZ LYS 4 -2.071 12.437 14.174 35 H LEU 5 H LEU 5 1.365 8.360 7.608 36 HA LEU 5 HA LEU 5 -0.584 7.135 6.034 37 1HB LEU 5 2HB LEU 5 -0.167 8.042 3.859 38 2HB LEU 5 1HB LEU 5 -0.739 9.302 4.933 39 HG LEU 5 HG LEU 5 2.028 8.902 3.808 40 1HD1 LEU 5 1HD1 LEU 5 0.054 10.267 2.733 41 2HD1 LEU 5 2HD1 LEU 5 0.550 11.504 3.913 42 3HD1 LEU 5 3HD1 LEU 5 1.718 10.896 2.715 43 1HD2 LEU 5 1HD2 LEU 5 2.747 10.823 5.258 44 2HD2 LEU 5 2HD2 LEU 5 1.258 10.582 6.204 45 3HD2 LEU 5 3HD2 LEU 5 2.476 9.287 6.115 46 H TYR 6 H TYR 6 0.323 5.397 4.783 47 HA TYR 6 HA TYR 6 3.217 5.150 4.828 48 1HB TYR 6 2HB TYR 6 1.949 4.234 6.992 49 2HB TYR 6 1HB TYR 6 1.336 2.987 5.925 50 HD1 TYR 6 1HD TYR 6 2.384 0.995 6.521 51 HD2 TYR 6 2HD TYR 6 4.742 4.545 6.153 52 HE1 TYR 6 1HE TYR 6 4.501 -0.362 6.898 53 HE2 TYR 6 2HE TYR 6 6.850 3.176 6.532 54 HH TYR 6 HH TYR 6 7.502 0.735 6.153 55 H GLY 7 H GLY 7 3.989 3.970 3.096 56 1HA GLY 7 2HA GLY 7 3.957 2.873 1.136 57 2HA GLY 7 1HA GLY 7 2.639 1.917 1.784 58 H ASP 8 H ASP 8 2.920 5.450 0.959 59 HA ASP 8 HA ASP 8 0.353 5.295 -0.281 60 1HB ASP 8 2HB ASP 8 1.797 7.281 1.024 61 2HB ASP 8 1HB ASP 8 1.983 7.756 -0.653 62 H VAL 9 H VAL 9 0.070 4.936 -2.492 63 HA VAL 9 HA VAL 9 2.385 4.652 -4.145 64 HB VAL 9 HB VAL 9 -0.567 4.240 -4.408 65 1HG1 VAL 9 1HG1 VAL 9 -0.559 4.819 -6.570 66 2HG1 VAL 9 2HG1 VAL 9 1.212 5.004 -6.594 67 3HG1 VAL 9 3HG1 VAL 9 0.481 3.401 -6.849 68 1HG2 VAL 9 1HG2 VAL 9 1.813 2.433 -4.955 69 2HG2 VAL 9 2HG2 VAL 9 0.889 2.486 -3.435 70 3HG2 VAL 9 3HG2 VAL 9 0.097 1.960 -4.941 71 H ASN 10 H ASN 10 -0.612 6.708 -4.357 72 HA ASN 10 HA ASN 10 0.958 8.522 -5.989 73 1HB ASN 10 2HB ASN 10 -1.445 9.573 -6.305 74 2HB ASN 10 1HB ASN 10 -1.073 8.069 -7.124 75 1HD2 ASN 10 1HD2 ASN 10 -3.405 7.853 -7.150 76 2HD2 ASN 10 2HD2 ASN 10 -4.229 7.148 -5.799 77 H ASP 11 H ASP 11 1.215 8.265 -3.008 78 HA ASP 11 HA ASP 11 1.196 9.433 -1.174 79 1HB ASP 11 2HB ASP 11 1.119 11.868 -3.016 80 2HB ASP 11 1HB ASP 11 1.727 11.838 -1.372 81 H ASP 12 H ASP 12 -1.415 8.622 -1.951 82 HA ASP 12 HA ASP 12 -3.074 10.967 -1.652 83 1HB ASP 12 2HB ASP 12 -3.963 9.553 -3.312 84 2HB ASP 12 1HB ASP 12 -3.500 8.092 -2.463 85 H GLY 13 H GLY 13 -2.548 7.658 -0.217 86 1HA GLY 13 2HA GLY 13 -2.933 8.657 2.454 87 2HA GLY 13 1HA GLY 13 -4.271 7.679 1.886 88 H LYS 14 H LYS 14 -3.004 5.755 0.271 89 HA LYS 14 HA LYS 14 -0.706 4.643 1.377 90 1HB LYS 14 2HB LYS 14 -2.046 2.622 2.441 91 2HB LYS 14 1HB LYS 14 -1.591 4.028 3.382 92 1HG LYS 14 2HG LYS 14 -3.998 3.372 3.701 93 2HG LYS 14 1HG LYS 14 -3.808 5.016 3.125 94 1HD LYS 14 2HD LYS 14 -4.152 4.134 0.748 95 2HD LYS 14 1HD LYS 14 -4.539 2.573 1.446 96 1HE LYS 14 2HE LYS 14 -6.689 3.381 1.433 97 2HE LYS 14 1HE LYS 14 -6.208 4.146 2.933 98 1HZ LYS 14 1HZ LYS 14 -6.739 6.009 1.893 99 2HZ LYS 14 2HZ LYS 14 -5.339 5.865 1.063 100 3HZ LYS 14 3HZ LYS 14 -6.737 5.333 0.407 101 H VAL 15 H VAL 15 -0.712 2.099 0.743 102 HA VAL 15 HA VAL 15 -1.644 2.116 -2.018 103 HB VAL 15 HB VAL 15 0.702 1.699 -1.627 104 1HG1 VAL 15 1HG1 VAL 15 1.430 0.596 0.168 105 2HG1 VAL 15 2HG1 VAL 15 -0.245 0.178 0.601 106 3HG1 VAL 15 3HG1 VAL 15 0.698 -0.903 -0.453 107 1HG2 VAL 15 1HG2 VAL 15 0.611 -0.877 -2.483 108 2HG2 VAL 15 2HG2 VAL 15 -1.068 -0.372 -2.795 109 3HG2 VAL 15 3HG2 VAL 15 0.283 0.532 -3.521 110 H ASN 16 H ASN 16 -3.687 1.365 -2.296 111 HA ASN 16 HA ASN 16 -4.245 -1.220 -1.153 112 1HB ASN 16 2HB ASN 16 -6.512 -0.475 -0.367 113 2HB ASN 16 1HB ASN 16 -5.225 0.334 0.505 114 1HD2 ASN 16 1HD2 ASN 16 -4.453 2.421 -0.498 115 2HD2 ASN 16 2HD2 ASN 16 -5.655 3.524 -1.080 116 H SER 17 H SER 17 -6.913 -1.501 -1.985 117 HA SER 17 HA SER 17 -6.711 -1.978 -4.635 118 1HB SER 17 2HB SER 17 -8.496 -2.993 -3.427 119 2HB SER 17 1HB SER 17 -9.099 -1.456 -2.840 120 HG SER 17 HG SER 17 -9.045 -1.707 -5.650 121 H THR 18 H THR 18 -7.185 1.078 -2.999 122 HA THR 18 HA THR 18 -8.470 2.446 -5.139 123 HB THR 18 HB THR 18 -6.854 3.420 -2.725 124 HG1 THR 18 1HG THR 18 -9.101 3.535 -1.899 125 1HG2 THR 18 1HG2 THR 18 -9.124 4.862 -4.154 126 2HG2 THR 18 2HG2 THR 18 -7.946 5.531 -3.000 127 3HG2 THR 18 3HG2 THR 18 -7.434 5.112 -4.653 128 H ASP 19 H ASP 19 -5.045 2.052 -4.087 129 HA ASP 19 HA ASP 19 -4.268 3.581 -6.411 130 1HB ASP 19 2HB ASP 19 -2.691 2.381 -4.089 131 2HB ASP 19 1HB ASP 19 -1.931 3.225 -5.423 132 H ALA 20 H ALA 20 -5.512 0.787 -6.468 133 HA ALA 20 HA ALA 20 -3.496 -1.112 -6.954 134 1HB ALA 20 1HB ALA 20 -6.202 -1.251 -8.260 135 2HB ALA 20 2HB ALA 20 -5.267 -2.527 -7.442 136 3HB ALA 20 3HB ALA 20 -6.104 -1.282 -6.484 137 H VAL 21 H VAL 21 -5.306 1.205 -9.038 138 HA VAL 21 HA VAL 21 -4.720 0.378 -11.510 139 HB VAL 21 HB VAL 21 -4.831 3.071 -10.220 140 1HG1 VAL 21 1HG1 VAL 21 -3.564 2.489 -12.817 141 2HG1 VAL 21 2HG1 VAL 21 -4.851 3.716 -12.885 142 3HG1 VAL 21 3HG1 VAL 21 -3.467 3.938 -11.788 143 1HG2 VAL 21 1HG2 VAL 21 -6.549 1.351 -11.942 144 2HG2 VAL 21 2HG2 VAL 21 -6.982 2.407 -10.577 145 3HG2 VAL 21 3HG2 VAL 21 -6.667 3.110 -12.182 146 H ALA 22 H ALA 22 -2.490 2.516 -9.584 147 HA ALA 22 HA ALA 22 -0.371 2.248 -11.395 148 1HB ALA 22 1HB ALA 22 -0.565 3.047 -8.471 149 2HB ALA 22 2HB ALA 22 0.959 3.108 -9.390 150 3HB ALA 22 3HB ALA 22 -0.424 4.108 -9.892 151 H LEU 23 H LEU 23 -1.341 0.430 -8.439 152 HA LEU 23 HA LEU 23 0.916 -1.077 -8.082 153 1HB LEU 23 2HB LEU 23 -1.128 -0.938 -6.644 154 2HB LEU 23 1HB LEU 23 -1.934 -2.024 -7.760 155 HG LEU 23 HG LEU 23 0.642 -3.070 -6.830 156 1HD1 LEU 23 1HD1 LEU 23 -0.146 -1.710 -4.838 157 2HD1 LEU 23 2HD1 LEU 23 -1.523 -2.832 -4.736 158 3HD1 LEU 23 3HD1 LEU 23 0.139 -3.443 -4.552 159 1HD2 LEU 23 1HD2 LEU 23 -0.428 -5.082 -6.915 160 2HD2 LEU 23 2HD2 LEU 23 -1.975 -4.418 -6.338 161 3HD2 LEU 23 3HD2 LEU 23 -1.466 -4.153 -8.023 162 H LYS 24 H LYS 24 -1.999 -2.017 -10.049 163 HA LYS 24 HA LYS 24 -1.112 -4.337 -11.075 164 1HB LYS 24 2HB LYS 24 -3.331 -3.220 -11.447 165 2HB LYS 24 1HB LYS 24 -2.577 -2.215 -12.668 166 1HG LYS 24 2HG LYS 24 -1.942 -4.210 -13.981 167 2HG LYS 24 1HG LYS 24 -2.554 -5.269 -12.726 168 1HD LYS 24 2HD LYS 24 -4.845 -4.122 -13.055 169 2HD LYS 24 1HD LYS 24 -4.166 -3.372 -14.487 170 1HE LYS 24 2HE LYS 24 -4.190 -5.333 -15.696 171 2HE LYS 24 1HE LYS 24 -3.714 -6.311 -14.322 172 1HZ LYS 24 1HZ LYS 24 -5.880 -6.422 -13.582 173 2HZ LYS 24 2HZ LYS 24 -6.382 -5.127 -14.441 174 3HZ LYS 24 3HZ LYS 24 -6.061 -6.537 -15.201 175 H ARG 25 H ARG 25 -0.288 -1.023 -12.271 176 HA ARG 25 HA ARG 25 1.218 -1.902 -14.406 177 1HB ARG 25 2HB ARG 25 0.968 0.634 -12.816 178 2HB ARG 25 1HB ARG 25 2.423 0.480 -13.781 179 1HG ARG 25 2HG ARG 25 1.134 1.285 -15.488 180 2HG ARG 25 1HG ARG 25 0.529 -0.357 -15.599 181 1HD ARG 25 2HD ARG 25 -1.545 0.283 -14.916 182 2HD ARG 25 1HD ARG 25 -0.898 1.073 -13.491 183 HE ARG 25 HE ARG 25 -0.986 3.130 -14.611 184 1HH1 ARG 25 2HH2 ARG 25 -1.286 0.520 -16.950 185 2HH1 ARG 25 1HH2 ARG 25 -1.670 1.574 -18.270 186 1HH2 ARG 25 2HH1 ARG 25 -1.491 4.523 -16.352 187 2HH2 ARG 25 1HH1 ARG 25 -1.786 3.867 -17.927 188 H TYR 26 H TYR 26 2.044 -1.239 -10.960 189 HA TYR 26 HA TYR 26 4.807 -1.388 -11.165 190 1HB TYR 26 2HB TYR 26 3.103 -0.782 -9.227 191 2HB TYR 26 1HB TYR 26 3.021 -2.507 -8.928 192 HD1 TYR 26 1HD TYR 26 5.638 0.155 -9.368 193 HD2 TYR 26 2HD TYR 26 4.404 -3.370 -7.280 194 HE1 TYR 26 1HE TYR 26 7.693 0.308 -7.879 195 HE2 TYR 26 2HE TYR 26 6.463 -3.204 -5.799 196 HH TYR 26 HH TYR 26 8.043 -0.822 -5.172 197 H VAL 27 H VAL 27 2.421 -4.004 -10.328 198 HA VAL 27 HA VAL 27 4.337 -6.020 -10.141 199 HB VAL 27 HB VAL 27 1.478 -6.400 -11.008 200 1HG1 VAL 27 1HG1 VAL 27 3.614 -8.072 -9.839 201 2HG1 VAL 27 2HG1 VAL 27 2.019 -8.250 -9.069 202 3HG1 VAL 27 3HG1 VAL 27 2.200 -8.530 -10.818 203 1HG2 VAL 27 1HG2 VAL 27 0.770 -5.267 -9.218 204 2HG2 VAL 27 2HG2 VAL 27 1.539 -6.512 -8.206 205 3HG2 VAL 27 3HG2 VAL 27 2.434 -5.034 -8.631 206 H LEU 28 H LEU 28 2.315 -4.855 -12.901 207 HA LEU 28 HA LEU 28 3.074 -6.795 -14.721 208 1HB LEU 28 2HB LEU 28 1.243 -5.047 -14.863 209 2HB LEU 28 1HB LEU 28 2.481 -3.909 -15.360 210 HG LEU 28 HG LEU 28 2.397 -6.437 -16.904 211 1HD1 LEU 28 1HD1 LEU 28 -0.049 -5.701 -16.358 212 2HD1 LEU 28 2HD1 LEU 28 0.271 -4.425 -17.557 213 3HD1 LEU 28 3HD1 LEU 28 0.405 -6.138 -18.023 214 1HD2 LEU 28 1HD2 LEU 28 2.468 -3.547 -17.803 215 2HD2 LEU 28 2HD2 LEU 28 3.906 -4.511 -17.391 216 3HD2 LEU 28 3HD2 LEU 28 2.872 -4.994 -18.757 217 H ARG 29 H ARG 29 4.599 -3.619 -13.903 218 HA ARG 29 HA ARG 29 7.125 -4.670 -14.504 219 1HB ARG 29 2HB ARG 29 7.600 -2.884 -16.345 220 2HB ARG 29 1HB ARG 29 6.709 -4.316 -16.823 221 1HG ARG 29 2HG ARG 29 5.425 -2.567 -17.759 222 2HG ARG 29 1HG ARG 29 4.558 -2.935 -16.280 223 1HD ARG 29 2HD ARG 29 4.899 -0.832 -15.489 224 2HD ARG 29 1HD ARG 29 6.634 -0.988 -15.687 225 HE ARG 29 HE ARG 29 4.752 0.244 -17.593 226 1HH1 ARG 29 2HH2 ARG 29 7.988 -1.043 -17.089 227 2HH1 ARG 29 1HH2 ARG 29 8.675 -0.188 -18.430 228 1HH2 ARG 29 2HH1 ARG 29 5.657 1.371 -19.362 229 2HH2 ARG 29 1HH1 ARG 29 7.340 1.194 -19.732 230 H SER 30 H SER 30 8.691 -2.426 -14.778 231 HA SER 30 HA SER 30 7.810 -0.818 -12.515 232 1HB SER 30 2HB SER 30 10.195 -2.251 -12.924 233 2HB SER 30 1HB SER 30 10.653 -0.589 -13.241 234 HG SER 30 HG SER 30 10.903 -0.790 -11.046 235 H GLY 31 H GLY 31 6.547 0.608 -13.936 236 1HA GLY 31 2HA GLY 31 8.236 2.322 -15.659 237 2HA GLY 31 1HA GLY 31 6.555 1.942 -15.974 238 H ILE 32 H ILE 32 5.028 2.442 -13.942 239 HA ILE 32 HA ILE 32 5.105 5.202 -13.585 240 HB ILE 32 HB ILE 32 3.294 4.792 -11.954 241 1HG1 ILE 32 2HG1 ILE 32 2.506 2.301 -11.933 242 2HG1 ILE 32 1HG1 ILE 32 4.180 1.936 -12.300 243 1HG2 ILE 32 1HG2 ILE 32 2.125 3.132 -13.875 244 2HG2 ILE 32 2HG2 ILE 32 2.113 4.911 -13.831 245 3HG2 ILE 32 3HG2 ILE 32 3.369 4.051 -14.754 246 1HD1 ILE 32 1HD1 ILE 32 2.997 2.739 -9.763 247 2HD1 ILE 32 2HD1 ILE 32 4.637 2.131 -10.091 248 3HD1 ILE 32 3HD1 ILE 32 4.290 3.871 -10.227 249 H SER 33 H SER 33 4.961 6.186 -11.224 250 HA SER 33 HA SER 33 7.231 5.083 -9.761 251 1HB SER 33 2HB SER 33 6.781 7.766 -10.852 252 2HB SER 33 1HB SER 33 7.057 7.830 -9.123 253 HG SER 33 HG SER 33 9.130 7.573 -9.549 254 H ILE 34 H ILE 34 7.048 5.032 -7.464 255 HA ILE 34 HA ILE 34 4.731 6.254 -6.249 256 HB ILE 34 HB ILE 34 3.974 4.123 -5.250 257 1HG1 ILE 34 2HG1 ILE 34 5.154 2.432 -7.337 258 2HG1 ILE 34 1HG1 ILE 34 6.345 3.082 -6.229 259 1HG2 ILE 34 1HG2 ILE 34 3.019 5.260 -7.358 260 2HG2 ILE 34 2HG2 ILE 34 3.776 3.917 -8.248 261 3HG2 ILE 34 3HG2 ILE 34 2.545 3.581 -7.007 262 1HD1 ILE 34 1HD1 ILE 34 4.929 2.288 -4.295 263 2HD1 ILE 34 2HD1 ILE 34 3.830 1.529 -5.471 264 3HD1 ILE 34 3HD1 ILE 34 5.513 0.967 -5.334 265 H ASN 35 H ASN 35 4.798 5.433 -3.742 266 HA ASN 35 HA ASN 35 7.387 6.265 -2.921 267 1HB ASN 35 2HB ASN 35 6.407 6.538 -0.772 268 2HB ASN 35 1HB ASN 35 5.050 6.816 -1.845 269 1HD2 ASN 35 1HD2 ASN 35 4.817 4.043 -2.664 270 2HD2 ASN 35 2HD2 ASN 35 4.103 3.163 -1.353 271 H THR 36 H THR 36 7.582 3.802 -4.309 272 HA THR 36 HA THR 36 7.276 1.440 -3.062 273 HB THR 36 HB THR 36 8.235 1.479 -5.250 274 HG1 THR 36 1HG THR 36 9.230 -0.081 -3.728 275 1HG2 THR 36 1HG2 THR 36 10.686 2.444 -5.436 276 2HG2 THR 36 2HG2 THR 36 9.320 3.582 -5.511 277 3HG2 THR 36 3HG2 THR 36 10.239 3.394 -3.998 278 H ASP 37 H ASP 37 9.438 4.050 -2.056 279 HA ASP 37 HA ASP 37 11.290 2.822 -0.616 280 1HB ASP 37 2HB ASP 37 9.724 5.330 -0.320 281 2HB ASP 37 1HB ASP 37 10.447 4.781 1.178 282 H ASN 38 H ASN 38 8.283 4.062 1.027 283 HA ASN 38 HA ASN 38 8.511 1.832 2.860 284 1HB ASN 38 2HB ASN 38 6.658 3.246 4.089 285 2HB ASN 38 1HB ASN 38 8.303 3.847 4.098 286 1HD2 ASN 38 1HD2 ASN 38 5.368 4.923 3.983 287 2HD2 ASN 38 2HD2 ASN 38 5.454 6.239 2.861 288 H ALA 39 H ALA 39 7.579 1.178 0.252 289 HA ALA 39 HA ALA 39 4.734 1.340 0.123 290 1HB ALA 39 1HB ALA 39 5.570 1.176 -1.998 291 2HB ALA 39 2HB ALA 39 6.989 0.234 -1.482 292 3HB ALA 39 3HB ALA 39 5.413 -0.569 -1.684 293 H ASP 40 H ASP 40 6.270 -1.795 -0.442 294 HA ASP 40 HA ASP 40 4.362 -3.001 1.259 295 1HB ASP 40 2HB ASP 40 5.579 -3.852 -0.962 296 2HB ASP 40 1HB ASP 40 6.787 -4.445 0.161 297 H LEU 41 H LEU 41 5.624 -5.086 2.567 298 HA LEU 41 HA LEU 41 7.745 -3.826 4.153 299 1HB LEU 41 2HB LEU 41 5.346 -5.335 5.201 300 2HB LEU 41 1HB LEU 41 6.731 -4.858 6.163 301 HG LEU 41 HG LEU 41 5.061 -3.269 6.620 302 1HD1 LEU 41 1HD1 LEU 41 6.288 -1.406 6.376 303 2HD1 LEU 41 2HD1 LEU 41 7.477 -2.497 5.624 304 3HD1 LEU 41 3HD1 LEU 41 6.361 -1.557 4.604 305 1HD2 LEU 41 1HD2 LEU 41 3.829 -3.951 4.383 306 2HD2 LEU 41 2HD2 LEU 41 3.517 -2.392 5.182 307 3HD2 LEU 41 3HD2 LEU 41 4.607 -2.469 3.776 308 H ASN 42 H ASN 42 6.029 -6.863 3.195 309 HA ASN 42 HA ASN 42 7.949 -8.581 4.161 310 1HB ASN 42 2HB ASN 42 6.365 -9.092 1.605 311 2HB ASN 42 1HB ASN 42 6.862 -10.265 2.808 312 1HD2 ASN 42 1HD2 ASN 42 5.935 -10.133 4.947 313 2HD2 ASN 42 2HD2 ASN 42 4.315 -9.559 5.166 314 H GLU 43 H GLU 43 7.985 -6.328 1.517 315 HA GLU 43 HA GLU 43 9.628 -5.757 0.179 316 1HB GLU 43 2HB GLU 43 11.101 -7.143 1.932 317 2HB GLU 43 1HB GLU 43 11.235 -8.272 0.599 318 1HG GLU 43 2HG GLU 43 12.222 -6.601 -0.849 319 2HG GLU 43 1HG GLU 43 11.808 -5.300 0.249 320 H ASP 44 H ASP 44 7.357 -6.826 -0.842 321 HA ASP 44 HA ASP 44 8.317 -8.743 -2.816 322 1HB ASP 44 2HB ASP 44 5.406 -8.356 -2.721 323 2HB ASP 44 1HB ASP 44 6.327 -9.845 -2.635 324 H GLY 45 H GLY 45 6.651 -5.657 -2.122 325 1HA GLY 45 2HA GLY 45 7.328 -4.212 -4.259 326 2HA GLY 45 1HA GLY 45 6.007 -5.160 -4.912 327 H ARG 46 H ARG 46 3.964 -5.265 -3.358 328 HA ARG 46 HA ARG 46 3.681 -2.882 -1.806 329 1HB ARG 46 2HB ARG 46 2.393 -3.257 -4.498 330 2HB ARG 46 1HB ARG 46 1.375 -2.588 -3.239 331 1HG ARG 46 2HG ARG 46 2.454 -0.579 -3.279 332 2HG ARG 46 1HG ARG 46 4.035 -1.331 -3.255 333 1HD ARG 46 2HD ARG 46 4.149 -0.457 -5.390 334 2HD ARG 46 1HD ARG 46 3.347 -1.959 -5.802 335 HE ARG 46 HE ARG 46 1.203 -0.372 -5.240 336 1HH1 ARG 46 2HH2 ARG 46 4.061 0.211 -7.208 337 2HH1 ARG 46 1HH2 ARG 46 3.255 1.300 -8.286 338 1HH2 ARG 46 2HH1 ARG 46 0.138 1.065 -6.662 339 2HH2 ARG 46 1HH1 ARG 46 1.007 1.789 -7.974 340 H VAL 47 H VAL 47 1.116 -4.768 -3.509 341 HA VAL 47 HA VAL 47 0.588 -6.214 -1.023 342 HB VAL 47 HB VAL 47 -1.758 -5.710 -1.145 343 1HG1 VAL 47 1HG1 VAL 47 0.082 -4.034 -0.186 344 2HG1 VAL 47 2HG1 VAL 47 -0.603 -2.969 -1.436 345 3HG1 VAL 47 3HG1 VAL 47 -1.654 -3.642 -0.168 346 1HG2 VAL 47 1HG2 VAL 47 -2.679 -5.219 -3.119 347 2HG2 VAL 47 2HG2 VAL 47 -2.010 -3.578 -2.950 348 3HG2 VAL 47 3HG2 VAL 47 -1.096 -4.826 -3.831 349 H ASN 48 H ASN 48 1.759 -7.883 -2.321 350 HA ASN 48 HA ASN 48 0.849 -8.732 -4.767 351 1HB ASN 48 2HB ASN 48 2.073 -10.826 -4.271 352 2HB ASN 48 1HB ASN 48 2.999 -9.457 -3.689 353 1HD2 ASN 48 1HD2 ASN 48 3.543 -9.318 -1.620 354 2HD2 ASN 48 2HD2 ASN 48 3.029 -10.383 -0.353 355 H SER 49 H SER 49 -0.280 -9.301 -1.431 356 HA SER 49 HA SER 49 -2.786 -9.903 -1.912 357 1HB SER 49 2HB SER 49 -1.122 -12.206 -2.740 358 2HB SER 49 1HB SER 49 -2.389 -12.646 -1.611 359 HG SER 49 HG SER 49 -3.046 -10.945 -3.822 360 H THR 50 H THR 50 0.196 -10.645 -0.186 361 HA THR 50 HA THR 50 -1.153 -11.605 2.178 362 HB THR 50 HB THR 50 1.740 -10.927 1.444 363 HG1 THR 50 1HG THR 50 0.639 -12.854 0.539 364 1HG2 THR 50 1HG2 THR 50 1.896 -10.770 3.789 365 2HG2 THR 50 2HG2 THR 50 0.465 -11.796 4.049 366 3HG2 THR 50 3HG2 THR 50 2.014 -12.533 3.575 367 H ASP 51 H ASP 51 0.196 -8.540 0.938 368 HA ASP 51 HA ASP 51 -0.219 -7.323 3.503 369 1HB ASP 51 2HB ASP 51 1.022 -6.566 0.883 370 2HB ASP 51 1HB ASP 51 0.334 -5.243 1.802 371 H LEU 52 H LEU 52 -1.804 -7.804 0.390 372 HA LEU 52 HA LEU 52 -3.369 -5.667 -0.005 373 1HB LEU 52 2HB LEU 52 -3.254 -8.201 -0.957 374 2HB LEU 52 1HB LEU 52 -4.792 -8.254 -0.117 375 HG LEU 52 HG LEU 52 -4.409 -5.891 -1.856 376 1HD1 LEU 52 1HD1 LEU 52 -3.457 -8.211 -2.932 377 2HD1 LEU 52 2HD1 LEU 52 -5.165 -8.261 -3.430 378 3HD1 LEU 52 3HD1 LEU 52 -4.153 -6.863 -3.860 379 1HD2 LEU 52 1HD2 LEU 52 -6.609 -5.844 -1.606 380 2HD2 LEU 52 2HD2 LEU 52 -6.752 -7.416 -2.430 381 3HD2 LEU 52 3HD2 LEU 52 -6.538 -7.353 -0.663 382 H GLY 53 H GLY 53 -4.312 -8.428 2.171 383 1HA GLY 53 2HA GLY 53 -6.568 -7.153 3.240 384 2HA GLY 53 1HA GLY 53 -5.692 -8.498 3.942 385 H ILE 54 H ILE 54 -3.167 -7.464 4.492 386 HA ILE 54 HA ILE 54 -3.540 -6.183 6.886 387 HB ILE 54 HB ILE 54 -1.417 -7.190 5.372 388 1HG1 ILE 54 2HG1 ILE 54 -1.685 -6.112 8.180 389 2HG1 ILE 54 1HG1 ILE 54 -1.705 -7.780 7.644 390 1HG2 ILE 54 1HG2 ILE 54 -0.838 -4.338 6.219 391 2HG2 ILE 54 2HG2 ILE 54 0.346 -5.521 5.615 392 3HG2 ILE 54 3HG2 ILE 54 -0.949 -4.933 4.545 393 1HD1 ILE 54 1HD1 ILE 54 0.694 -5.893 7.545 394 2HD1 ILE 54 2HD1 ILE 54 0.474 -7.269 8.652 395 3HD1 ILE 54 3HD1 ILE 54 0.687 -7.556 6.909 396 H LEU 55 H LEU 55 -2.998 -4.805 3.607 397 HA LEU 55 HA LEU 55 -2.734 -2.150 4.493 398 1HB LEU 55 2HB LEU 55 -3.019 -3.599 1.952 399 2HB LEU 55 1HB LEU 55 -3.680 -1.976 1.932 400 HG LEU 55 HG LEU 55 -1.383 -1.999 1.131 401 1HD1 LEU 55 1HD1 LEU 55 -0.431 -0.452 3.102 402 2HD1 LEU 55 2HD1 LEU 55 -1.694 0.083 1.967 403 3HD1 LEU 55 3HD1 LEU 55 -2.144 -0.506 3.585 404 1HD2 LEU 55 1HD2 LEU 55 -0.258 -2.665 3.809 405 2HD2 LEU 55 2HD2 LEU 55 -0.862 -4.003 2.803 406 3HD2 LEU 55 3HD2 LEU 55 0.411 -2.925 2.180 407 H LYS 56 H LYS 56 -5.541 -3.819 2.886 408 HA LYS 56 HA LYS 56 -7.317 -1.724 3.416 409 1HB LYS 56 2HB LYS 56 -9.044 -3.305 2.734 410 2HB LYS 56 1HB LYS 56 -7.669 -3.371 1.650 411 1HG LYS 56 2HG LYS 56 -7.099 -5.516 2.273 412 2HG LYS 56 1HG LYS 56 -7.504 -5.249 3.957 413 1HD LYS 56 2HD LYS 56 -9.825 -5.226 2.073 414 2HD LYS 56 1HD LYS 56 -9.013 -6.770 2.237 415 1HE LYS 56 2HE LYS 56 -9.272 -5.684 4.885 416 2HE LYS 56 1HE LYS 56 -10.823 -5.476 4.097 417 1HZ LYS 56 1HZ LYS 56 -9.335 -8.008 4.196 418 2HZ LYS 56 2HZ LYS 56 -10.599 -7.627 5.155 419 3HZ LYS 56 3HZ LYS 56 -10.817 -7.795 3.546 420 H ARG 57 H ARG 57 -5.729 -3.796 5.559 421 HA ARG 57 HA ARG 57 -7.954 -3.997 7.358 422 1HB ARG 57 2HB ARG 57 -5.188 -5.130 7.172 423 2HB ARG 57 1HB ARG 57 -5.776 -4.874 8.802 424 1HG ARG 57 2HG ARG 57 -7.990 -6.035 7.602 425 2HG ARG 57 1HG ARG 57 -6.681 -6.830 6.750 426 1HD ARG 57 2HD ARG 57 -5.972 -6.754 9.547 427 2HD ARG 57 1HD ARG 57 -7.627 -7.321 9.438 428 HE ARG 57 HE ARG 57 -5.925 -8.624 7.472 429 1HH1 ARG 57 2HH2 ARG 57 -6.863 -8.668 10.863 430 2HH1 ARG 57 1HH2 ARG 57 -6.472 -10.340 11.082 431 1HH2 ARG 57 2HH1 ARG 57 -5.409 -10.832 7.761 432 2HH2 ARG 57 1HH1 ARG 57 -5.639 -11.580 9.305 433 H TYR 58 H TYR 58 -4.562 -2.660 7.430 434 HA TYR 58 HA TYR 58 -5.080 -1.146 9.788 435 1HB TYR 58 2HB TYR 58 -2.757 -1.075 9.635 436 2HB TYR 58 1HB TYR 58 -2.916 -2.099 8.222 437 HD1 TYR 58 1HD TYR 58 -1.918 -1.383 6.255 438 HD2 TYR 58 2HD TYR 58 -3.159 1.542 9.120 439 HE1 TYR 58 1HE TYR 58 -0.922 0.461 4.814 440 HE2 TYR 58 2HE TYR 58 -2.159 3.376 7.670 441 HH TYR 58 HH TYR 58 -0.896 3.815 5.944 442 H ILE 59 H ILE 59 -5.492 -0.647 6.325 443 HA ILE 59 HA ILE 59 -5.610 2.234 6.663 444 HB ILE 59 HB ILE 59 -5.590 2.382 4.348 445 1HG1 ILE 59 2HG1 ILE 59 -5.811 -0.206 3.272 446 2HG1 ILE 59 1HG1 ILE 59 -7.101 -0.095 4.454 447 1HG2 ILE 59 1HG2 ILE 59 -3.871 0.463 3.693 448 2HG2 ILE 59 2HG2 ILE 59 -3.427 1.811 4.765 449 3HG2 ILE 59 3HG2 ILE 59 -3.853 0.228 5.457 450 1HD1 ILE 59 1HD1 ILE 59 -6.770 1.342 1.884 451 2HD1 ILE 59 2HD1 ILE 59 -8.253 0.970 2.797 452 3HD1 ILE 59 3HD1 ILE 59 -7.268 2.387 3.236 453 H LEU 60 H LEU 60 -7.618 -0.443 7.154 454 HA LEU 60 HA LEU 60 -10.020 0.355 6.029 455 1HB LEU 60 2HB LEU 60 -9.100 -1.733 7.554 456 2HB LEU 60 1HB LEU 60 -10.197 -0.931 8.660 457 HG LEU 60 HG LEU 60 -10.930 -1.870 5.873 458 1HD1 LEU 60 1HD1 LEU 60 -10.475 -3.451 8.099 459 2HD1 LEU 60 2HD1 LEU 60 -12.238 -3.207 8.113 460 3HD1 LEU 60 3HD1 LEU 60 -11.444 -3.885 6.671 461 1HD2 LEU 60 1HD2 LEU 60 -13.278 -1.582 7.210 462 2HD2 LEU 60 2HD2 LEU 60 -12.327 -0.246 7.904 463 3HD2 LEU 60 3HD2 LEU 60 -12.564 -0.350 6.142 464 H LYS 61 H LYS 61 -8.282 1.465 8.935 465 HA LYS 61 HA LYS 61 -9.646 3.881 9.005 466 1HB LYS 61 2HB LYS 61 -11.077 3.654 10.951 467 2HB LYS 61 1HB LYS 61 -11.594 2.554 9.689 468 1HG LYS 61 2HG LYS 61 -9.654 1.596 11.815 469 2HG LYS 61 1HG LYS 61 -11.366 1.683 12.179 470 1HD LYS 61 2HD LYS 61 -11.270 0.433 9.649 471 2HD LYS 61 1HD LYS 61 -9.915 -0.261 10.516 472 1HE LYS 61 2HE LYS 61 -12.460 -0.033 12.077 473 2HE LYS 61 1HE LYS 61 -12.494 -1.167 10.742 474 1HZ LYS 61 1HZ LYS 61 -10.241 -1.200 12.590 475 2HZ LYS 61 2HZ LYS 61 -11.643 -1.922 13.015 476 3HZ LYS 61 3HZ LYS 61 -10.842 -2.416 11.680 477 H GLU 62 H GLU 62 -7.855 1.284 10.676 478 HA GLU 62 HA GLU 62 -6.820 2.845 12.708 479 1HB GLU 62 2HB GLU 62 -6.535 0.181 11.737 480 2HB GLU 62 1HB GLU 62 -4.913 0.833 11.834 481 1HG GLU 62 2HG GLU 62 -5.004 0.335 14.053 482 2HG GLU 62 1HG GLU 62 -6.035 1.743 14.211 483 H ILE 63 H ILE 63 -6.426 3.198 9.371 484 HA ILE 63 HA ILE 63 -3.960 3.574 8.636 485 HB ILE 63 HB ILE 63 -5.616 4.306 7.193 486 1HG1 ILE 63 2HG1 ILE 63 -4.916 6.475 6.456 487 2HG1 ILE 63 1HG1 ILE 63 -4.353 6.918 8.056 488 1HG2 ILE 63 1HG2 ILE 63 -6.623 5.827 9.539 489 2HG2 ILE 63 2HG2 ILE 63 -6.901 6.538 7.931 490 3HG2 ILE 63 3HG2 ILE 63 -7.501 4.903 8.298 491 1HD1 ILE 63 1HD1 ILE 63 -2.517 6.216 6.447 492 2HD1 ILE 63 2HD1 ILE 63 -2.549 5.293 7.969 493 3HD1 ILE 63 3HD1 ILE 63 -3.203 4.574 6.478 494 H ASP 64 H ASP 64 -2.160 4.079 9.765 495 HA ASP 64 HA ASP 64 -1.486 6.526 10.519 496 1HB ASP 64 2HB ASP 64 -3.405 5.467 12.424 497 2HB ASP 64 1HB ASP 64 -1.857 5.644 13.229 498 H THR 65 H THR 65 -1.553 3.048 11.191 499 HA THR 65 HA THR 65 1.296 2.913 11.224 500 HB THR 65 HB THR 65 0.624 3.659 13.613 501 HG1 THR 65 1HG THR 65 1.907 1.132 12.883 502 1HG2 THR 65 1HG2 THR 65 0.057 0.780 14.197 503 2HG2 THR 65 2HG2 THR 65 -0.578 2.241 14.994 504 3HG2 THR 65 3HG2 THR 65 -1.291 1.682 13.461 505 H LEU 66 H LEU 66 1.977 0.987 10.438 506 HA LEU 66 HA LEU 66 -0.037 -1.149 10.392 507 1HB LEU 66 2HB LEU 66 0.251 0.138 8.221 508 2HB LEU 66 1HB LEU 66 1.865 -0.537 8.135 509 HG LEU 66 HG LEU 66 -0.788 -1.899 7.832 510 1HD1 LEU 66 1HD1 LEU 66 -0.137 -2.100 5.721 511 2HD1 LEU 66 2HD1 LEU 66 1.302 -1.128 6.114 512 3HD1 LEU 66 3HD1 LEU 66 1.374 -2.903 6.212 513 1HD2 LEU 66 1HD2 LEU 66 0.159 -4.088 8.165 514 2HD2 LEU 66 2HD2 LEU 66 1.756 -3.389 8.527 515 3HD2 LEU 66 3HD2 LEU 66 0.395 -3.121 9.642 516 HA PRO 67 HA PRO 67 3.829 -2.582 12.258 517 1HB PRO 67 2HB PRO 67 2.780 -3.538 14.594 518 2HB PRO 67 1HB PRO 67 3.466 -1.934 14.438 519 1HG PRO 67 2HG PRO 67 0.623 -2.725 14.600 520 2HG PRO 67 1HG PRO 67 1.341 -1.149 14.868 521 1HD PRO 67 2HD PRO 67 -0.096 -2.005 12.538 522 2HD PRO 67 1HD PRO 67 0.721 -0.472 12.761 523 H TYR 68 H TYR 68 0.706 -4.011 11.851 524 HA TYR 68 HA TYR 68 1.027 -6.597 12.327 525 1HB TYR 68 2HB TYR 68 0.171 -5.467 9.596 526 2HB TYR 68 1HB TYR 68 -0.480 -6.897 10.370 527 HD1 TYR 68 1HD TYR 68 -0.800 -5.719 13.180 528 HD2 TYR 68 2HD TYR 68 -1.834 -4.222 9.308 529 HE1 TYR 68 1HE TYR 68 -2.653 -4.314 14.209 530 HE2 TYR 68 2HE TYR 68 -3.683 -2.823 10.350 531 HH TYR 68 HH TYR 68 -4.728 -2.285 12.156 532 H LYS 69 H LYS 69 2.365 -8.262 11.803 533 HA LYS 69 HA LYS 69 3.906 -8.003 9.328 534 1HB LYS 69 2HB LYS 69 4.950 -7.790 11.996 535 2HB LYS 69 1HB LYS 69 5.553 -9.268 11.275 536 1HG LYS 69 2HG LYS 69 5.839 -7.543 9.152 537 2HG LYS 69 1HG LYS 69 6.058 -6.430 10.489 538 1HD LYS 69 2HD LYS 69 8.069 -7.354 11.108 539 2HD LYS 69 1HD LYS 69 7.522 -8.994 10.823 540 1HE LYS 69 2HE LYS 69 8.923 -8.906 9.011 541 2HE LYS 69 1HE LYS 69 7.591 -8.067 8.239 542 1HZ LYS 69 1HZ LYS 69 10.105 -7.066 8.935 543 2HZ LYS 69 2HZ LYS 69 8.925 -6.345 8.066 544 3HZ LYS 69 3HZ LYS 69 8.959 -6.183 9.691 545 H ASN 70 H ASN 70 3.502 -9.721 8.055 546 HA ASN 70 HA ASN 70 2.994 -11.724 7.400 547 1HB ASN 70 2HB ASN 70 4.803 -12.160 9.501 548 2HB ASN 70 1HB ASN 70 3.464 -13.206 9.933 549 1HD2 ASN 70 1HD2 ASN 70 2.518 -14.457 8.024 550 2HD2 ASN 70 2HD2 ASN 70 3.643 -15.241 6.967 551 H GLY 71 H GLY 71 0.686 -11.396 7.276 552 1HA GLY 71 2HA GLY 71 -0.836 -12.584 9.509 553 2HA GLY 71 1HA GLY 71 -1.307 -11.047 8.809 Start of MODEL 6 1 H MET 1 H MET 1 5.359 19.701 9.624 2 HA MET 1 HA MET 1 5.389 17.446 9.677 3 1HB MET 1 2HB MET 1 6.225 18.642 12.342 4 2HB MET 1 1HB MET 1 6.297 16.901 12.159 5 1HG MET 1 2HG MET 1 7.859 17.056 10.315 6 2HG MET 1 1HG MET 1 7.580 18.775 10.126 7 1HE MET 1 1HE MET 1 9.261 20.555 11.267 8 2HE MET 1 2HE MET 1 10.816 19.736 11.550 9 3HE MET 1 3HE MET 1 9.871 19.371 10.086 10 H SER 2 H SER 2 3.385 16.431 9.410 11 HA SER 2 HA SER 2 2.396 15.037 11.576 12 1HB SER 2 2HB SER 2 1.150 17.690 11.115 13 2HB SER 2 1HB SER 2 -0.004 16.372 11.178 14 HG SER 2 HG SER 2 0.177 16.591 13.303 15 H THR 3 H THR 3 2.519 13.321 10.055 16 HA THR 3 HA THR 3 0.238 13.009 8.385 17 HB THR 3 HB THR 3 1.594 14.534 6.942 18 HG1 THR 3 1HG THR 3 0.371 12.748 5.992 19 1HG2 THR 3 1HG2 THR 3 3.631 12.284 6.725 20 2HG2 THR 3 2HG2 THR 3 3.777 13.970 6.173 21 3HG2 THR 3 3HG2 THR 3 3.864 13.592 7.910 22 H LYS 4 H LYS 4 -0.262 10.895 8.247 23 HA LYS 4 HA LYS 4 1.917 9.029 8.882 24 1HB LYS 4 2HB LYS 4 -0.649 9.465 10.203 25 2HB LYS 4 1HB LYS 4 -0.462 7.805 9.674 26 1HG LYS 4 2HG LYS 4 0.580 7.737 11.774 27 2HG LYS 4 1HG LYS 4 1.955 7.993 10.719 28 1HD LYS 4 2HD LYS 4 1.518 10.551 11.113 29 2HD LYS 4 1HD LYS 4 0.522 10.032 12.458 30 1HE LYS 4 2HE LYS 4 2.379 8.992 13.581 31 2HE LYS 4 1HE LYS 4 3.377 9.025 12.141 32 1HZ LYS 4 1HZ LYS 4 2.943 11.066 14.057 33 2HZ LYS 4 2HZ LYS 4 4.142 10.915 12.959 34 3HZ LYS 4 3HZ LYS 4 2.729 11.614 12.534 35 H LEU 5 H LEU 5 2.416 8.594 6.701 36 HA LEU 5 HA LEU 5 0.225 7.282 5.246 37 1HB LEU 5 2HB LEU 5 2.005 9.435 4.481 38 2HB LEU 5 1HB LEU 5 2.180 8.064 3.402 39 HG LEU 5 HG LEU 5 -0.337 8.096 3.107 40 1HD1 LEU 5 1HD1 LEU 5 -0.513 10.922 3.896 41 2HD1 LEU 5 2HD1 LEU 5 -1.675 9.591 4.101 42 3HD1 LEU 5 3HD1 LEU 5 -0.336 9.788 5.256 43 1HD2 LEU 5 1HD2 LEU 5 -0.288 9.975 1.508 44 2HD2 LEU 5 2HD2 LEU 5 1.258 10.512 2.210 45 3HD2 LEU 5 3HD2 LEU 5 1.152 8.935 1.390 46 H TYR 6 H TYR 6 0.750 5.347 4.092 47 HA TYR 6 HA TYR 6 3.280 4.150 5.002 48 1HB TYR 6 2HB TYR 6 1.180 3.172 5.978 49 2HB TYR 6 1HB TYR 6 0.471 3.047 4.380 50 HD1 TYR 6 1HD TYR 6 1.153 1.276 2.830 51 HD2 TYR 6 2HD TYR 6 2.875 1.574 6.735 52 HE1 TYR 6 1HE TYR 6 2.074 -1.084 2.613 53 HE2 TYR 6 2HE TYR 6 3.790 -0.787 6.505 54 HH TYR 6 HH TYR 6 4.408 -2.253 4.126 55 H GLY 7 H GLY 7 4.595 4.572 3.213 56 1HA GLY 7 2HA GLY 7 5.145 4.688 0.988 57 2HA GLY 7 1HA GLY 7 4.892 2.963 1.167 58 H ASP 8 H ASP 8 2.716 5.875 0.911 59 HA ASP 8 HA ASP 8 0.670 4.559 -0.317 60 1HB ASP 8 2HB ASP 8 1.632 7.423 -0.279 61 2HB ASP 8 1HB ASP 8 0.330 7.008 -1.376 62 H VAL 9 H VAL 9 -0.002 4.509 -2.629 63 HA VAL 9 HA VAL 9 2.243 4.127 -4.373 64 HB VAL 9 HB VAL 9 -0.671 3.574 -4.360 65 1HG1 VAL 9 1HG1 VAL 9 -0.744 4.645 -6.434 66 2HG1 VAL 9 2HG1 VAL 9 0.903 4.132 -6.871 67 3HG1 VAL 9 3HG1 VAL 9 -0.426 2.948 -6.868 68 1HG2 VAL 9 1HG2 VAL 9 0.009 1.431 -4.416 69 2HG2 VAL 9 2HG2 VAL 9 1.189 1.738 -5.713 70 3HG2 VAL 9 3HG2 VAL 9 1.617 2.084 -4.021 71 H ASN 10 H ASN 10 -0.766 6.173 -4.474 72 HA ASN 10 HA ASN 10 0.700 7.920 -6.273 73 1HB ASN 10 2HB ASN 10 -1.729 8.926 -6.533 74 2HB ASN 10 1HB ASN 10 -1.367 7.396 -7.306 75 1HD2 ASN 10 1HD2 ASN 10 -3.361 6.532 -7.277 76 2HD2 ASN 10 2HD2 ASN 10 -4.236 6.085 -5.850 77 H ASP 11 H ASP 11 0.721 7.639 -3.146 78 HA ASP 11 HA ASP 11 0.687 8.882 -1.363 79 1HB ASP 11 2HB ASP 11 0.958 11.414 -2.983 80 2HB ASP 11 1HB ASP 11 1.803 10.950 -1.520 81 H ASP 12 H ASP 12 -1.890 8.324 -1.941 82 HA ASP 12 HA ASP 12 -3.244 10.904 -1.794 83 1HB ASP 12 2HB ASP 12 -4.971 10.101 -3.124 84 2HB ASP 12 1HB ASP 12 -3.637 9.183 -3.796 85 H GLY 13 H GLY 13 -3.358 7.373 -0.908 86 1HA GLY 13 2HA GLY 13 -4.445 8.133 1.723 87 2HA GLY 13 1HA GLY 13 -5.243 6.902 0.763 88 H LYS 14 H LYS 14 -3.507 5.205 -0.233 89 HA LYS 14 HA LYS 14 -1.185 4.692 1.218 90 1HB LYS 14 2HB LYS 14 -2.062 2.636 2.468 91 2HB LYS 14 1HB LYS 14 -2.365 4.211 3.174 92 1HG LYS 14 2HG LYS 14 -4.491 3.385 1.291 93 2HG LYS 14 1HG LYS 14 -4.298 2.261 2.621 94 1HD LYS 14 2HD LYS 14 -5.098 3.753 4.170 95 2HD LYS 14 1HD LYS 14 -4.220 5.100 3.474 96 1HE LYS 14 2HE LYS 14 -5.917 5.234 1.624 97 2HE LYS 14 1HE LYS 14 -6.800 3.906 2.349 98 1HZ LYS 14 1HZ LYS 14 -7.015 6.558 2.972 99 2HZ LYS 14 2HZ LYS 14 -7.723 5.310 3.751 100 3HZ LYS 14 3HZ LYS 14 -6.285 5.886 4.267 101 H VAL 15 H VAL 15 -0.331 2.434 0.680 102 HA VAL 15 HA VAL 15 -0.986 1.933 -2.074 103 HB VAL 15 HB VAL 15 1.318 2.024 -1.343 104 1HG1 VAL 15 1HG1 VAL 15 1.412 -0.515 0.102 105 2HG1 VAL 15 2HG1 VAL 15 2.120 1.065 0.515 106 3HG1 VAL 15 3HG1 VAL 15 0.429 0.708 0.940 107 1HG2 VAL 15 1HG2 VAL 15 0.210 0.083 -2.964 108 2HG2 VAL 15 2HG2 VAL 15 1.945 0.457 -2.824 109 3HG2 VAL 15 3HG2 VAL 15 1.240 -0.865 -1.863 110 H ASN 16 H ASN 16 -3.098 1.076 -2.102 111 HA ASN 16 HA ASN 16 -3.169 -1.664 -1.206 112 1HB ASN 16 2HB ASN 16 -5.540 -1.280 -0.304 113 2HB ASN 16 1HB ASN 16 -4.263 -0.578 0.669 114 1HD2 ASN 16 1HD2 ASN 16 -6.908 0.252 0.768 115 2HD2 ASN 16 2HD2 ASN 16 -7.044 1.879 0.190 116 H SER 17 H SER 17 -5.776 -2.333 -1.918 117 HA SER 17 HA SER 17 -5.729 -2.538 -4.590 118 1HB SER 17 2HB SER 17 -7.287 -3.680 -2.917 119 2HB SER 17 1HB SER 17 -8.295 -2.247 -2.971 120 HG SER 17 HG SER 17 -7.585 -3.864 -5.271 121 H THR 18 H THR 18 -7.072 0.140 -2.604 122 HA THR 18 HA THR 18 -8.465 1.500 -4.572 123 HB THR 18 HB THR 18 -7.094 2.158 -1.962 124 HG1 THR 18 1HG THR 18 -9.313 1.232 -2.317 125 1HG2 THR 18 1HG2 THR 18 -6.727 4.319 -2.750 126 2HG2 THR 18 2HG2 THR 18 -7.872 4.125 -4.098 127 3HG2 THR 18 3HG2 THR 18 -8.477 4.457 -2.457 128 H ASP 19 H ASP 19 -5.004 1.064 -4.157 129 HA ASP 19 HA ASP 19 -4.602 3.118 -6.181 130 1HB ASP 19 2HB ASP 19 -2.753 1.845 -4.124 131 2HB ASP 19 1HB ASP 19 -2.117 2.766 -5.473 132 H ALA 20 H ALA 20 -5.557 0.188 -6.422 133 HA ALA 20 HA ALA 20 -3.484 -1.424 -7.352 134 1HB ALA 20 1HB ALA 20 -5.760 -2.187 -6.699 135 2HB ALA 20 2HB ALA 20 -6.423 -1.395 -8.149 136 3HB ALA 20 3HB ALA 20 -5.296 -2.762 -8.319 137 H VAL 21 H VAL 21 -5.021 1.401 -8.706 138 HA VAL 21 HA VAL 21 -4.774 0.863 -11.419 139 HB VAL 21 HB VAL 21 -4.695 3.392 -9.779 140 1HG1 VAL 21 1HG1 VAL 21 -4.843 4.715 -11.768 141 2HG1 VAL 21 2HG1 VAL 21 -3.427 3.651 -11.945 142 3HG1 VAL 21 3HG1 VAL 21 -4.941 3.267 -12.799 143 1HG2 VAL 21 1HG2 VAL 21 -6.774 1.673 -10.860 144 2HG2 VAL 21 2HG2 VAL 21 -6.899 3.027 -9.713 145 3HG2 VAL 21 3HG2 VAL 21 -6.934 3.339 -11.464 146 H ALA 22 H ALA 22 -2.488 2.676 -9.243 147 HA ALA 22 HA ALA 22 -0.457 2.716 -11.215 148 1HB ALA 22 1HB ALA 22 0.606 3.036 -8.573 149 2HB ALA 22 2HB ALA 22 0.269 4.291 -9.789 150 3HB ALA 22 3HB ALA 22 -0.990 3.823 -8.622 151 H LEU 23 H LEU 23 -1.002 0.775 -8.196 152 HA LEU 23 HA LEU 23 1.267 -0.725 -8.242 153 1HB LEU 23 2HB LEU 23 0.008 -1.045 -6.382 154 2HB LEU 23 1HB LEU 23 -1.506 -1.104 -7.262 155 HG LEU 23 HG LEU 23 -0.680 -3.399 -8.139 156 1HD1 LEU 23 1HD1 LEU 23 1.658 -3.089 -7.339 157 2HD1 LEU 23 2HD1 LEU 23 1.060 -3.207 -5.667 158 3HD1 LEU 23 3HD1 LEU 23 0.893 -4.592 -6.772 159 1HD2 LEU 23 1HD2 LEU 23 -1.311 -4.370 -5.727 160 2HD2 LEU 23 2HD2 LEU 23 -1.820 -2.681 -5.486 161 3HD2 LEU 23 3HD2 LEU 23 -2.510 -3.637 -6.820 162 H LYS 24 H LYS 24 -1.874 -1.541 -9.880 163 HA LYS 24 HA LYS 24 -1.162 -3.854 -11.072 164 1HB LYS 24 2HB LYS 24 -3.396 -2.984 -11.212 165 2HB LYS 24 1HB LYS 24 -2.868 -1.586 -12.126 166 1HG LYS 24 2HG LYS 24 -2.446 -2.853 -14.086 167 2HG LYS 24 1HG LYS 24 -2.301 -4.360 -13.203 168 1HD LYS 24 2HD LYS 24 -4.485 -4.791 -13.621 169 2HD LYS 24 1HD LYS 24 -4.929 -3.401 -12.651 170 1HE LYS 24 2HE LYS 24 -4.893 -1.925 -14.578 171 2HE LYS 24 1HE LYS 24 -4.110 -3.133 -15.576 172 1HZ LYS 24 1HZ LYS 24 -6.072 -4.484 -15.412 173 2HZ LYS 24 2HZ LYS 24 -6.801 -3.406 -14.426 174 3HZ LYS 24 3HZ LYS 24 -6.477 -3.006 -15.976 175 H ARG 25 H ARG 25 -0.420 -0.510 -12.231 176 HA ARG 25 HA ARG 25 0.843 -1.389 -14.545 177 1HB ARG 25 2HB ARG 25 0.635 1.164 -12.995 178 2HB ARG 25 1HB ARG 25 2.036 1.045 -14.040 179 1HG ARG 25 2HG ARG 25 0.624 1.769 -15.684 180 2HG ARG 25 1HG ARG 25 0.068 0.108 -15.728 181 1HD ARG 25 2HD ARG 25 -1.736 0.643 -14.099 182 2HD ARG 25 1HD ARG 25 -1.160 2.293 -13.976 183 HE ARG 25 HE ARG 25 -2.780 1.191 -16.117 184 1HH1 ARG 25 2HH2 ARG 25 -0.308 3.598 -15.424 185 2HH1 ARG 25 1HH2 ARG 25 -0.750 4.619 -16.752 186 1HH2 ARG 25 2HH1 ARG 25 -3.363 2.538 -17.868 187 2HH2 ARG 25 1HH1 ARG 25 -2.499 4.012 -18.151 188 H TYR 26 H TYR 26 1.914 -0.861 -11.176 189 HA TYR 26 HA TYR 26 4.693 -0.951 -11.736 190 1HB TYR 26 2HB TYR 26 3.357 -0.030 -9.691 191 2HB TYR 26 1HB TYR 26 3.087 -1.695 -9.216 192 HD1 TYR 26 1HD TYR 26 5.178 1.107 -8.793 193 HD2 TYR 26 2HD TYR 26 5.298 -3.166 -8.990 194 HE1 TYR 26 1HE TYR 26 7.384 1.102 -7.528 195 HE2 TYR 26 2HE TYR 26 7.503 -3.155 -7.724 196 HH TYR 26 HH TYR 26 8.784 -1.857 -6.357 197 H VAL 27 H VAL 27 2.219 -3.379 -10.724 198 HA VAL 27 HA VAL 27 4.090 -5.457 -10.354 199 HB VAL 27 HB VAL 27 1.129 -5.567 -10.958 200 1HG1 VAL 27 1HG1 VAL 27 2.183 -7.736 -11.257 201 2HG1 VAL 27 2HG1 VAL 27 2.995 -7.593 -9.680 202 3HG1 VAL 27 3HG1 VAL 27 1.223 -7.738 -9.758 203 1HG2 VAL 27 1HG2 VAL 27 0.680 -4.898 -8.869 204 2HG2 VAL 27 2HG2 VAL 27 1.934 -5.953 -8.176 205 3HG2 VAL 27 3HG2 VAL 27 2.369 -4.341 -8.791 206 H LEU 28 H LEU 28 2.172 -4.248 -13.136 207 HA LEU 28 HA LEU 28 2.746 -6.427 -14.820 208 1HB LEU 28 2HB LEU 28 1.832 -3.597 -15.276 209 2HB LEU 28 1HB LEU 28 2.142 -4.691 -16.609 210 HG LEU 28 HG LEU 28 0.171 -5.243 -14.375 211 1HD1 LEU 28 1HD1 LEU 28 -0.061 -3.447 -16.576 212 2HD1 LEU 28 2HD1 LEU 28 -1.124 -4.842 -16.881 213 3HD1 LEU 28 3HD1 LEU 28 -1.289 -3.909 -15.373 214 1HD2 LEU 28 1HD2 LEU 28 0.847 -7.314 -15.268 215 2HD2 LEU 28 2HD2 LEU 28 -0.692 -6.929 -16.078 216 3HD2 LEU 28 3HD2 LEU 28 0.849 -6.692 -16.936 217 H ARG 29 H ARG 29 4.390 -3.309 -14.117 218 HA ARG 29 HA ARG 29 6.823 -4.429 -14.970 219 1HB ARG 29 2HB ARG 29 7.319 -2.979 -16.861 220 2HB ARG 29 1HB ARG 29 5.777 -3.749 -17.188 221 1HG ARG 29 2HG ARG 29 5.928 -1.023 -15.843 222 2HG ARG 29 1HG ARG 29 5.965 -1.179 -17.588 223 1HD ARG 29 2HD ARG 29 3.798 -2.771 -16.347 224 2HD ARG 29 1HD ARG 29 3.656 -1.057 -16.010 225 HE ARG 29 HE ARG 29 3.403 -0.613 -18.346 226 1HH1 ARG 29 2HH2 ARG 29 3.950 -4.030 -17.713 227 2HH1 ARG 29 1HH2 ARG 29 3.440 -4.534 -19.290 228 1HH2 ARG 29 2HH1 ARG 29 2.730 -1.277 -20.426 229 2HH2 ARG 29 1HH1 ARG 29 2.743 -2.957 -20.844 230 H SER 30 H SER 30 8.664 -2.782 -14.663 231 HA SER 30 HA SER 30 7.934 -1.099 -12.446 232 1HB SER 30 2HB SER 30 10.098 -2.741 -12.919 233 2HB SER 30 1HB SER 30 10.770 -1.182 -13.353 234 HG SER 30 HG SER 30 11.087 -1.609 -11.099 235 H GLY 31 H GLY 31 6.717 0.413 -13.947 236 1HA GLY 31 2HA GLY 31 8.589 2.261 -15.306 237 2HA GLY 31 1HA GLY 31 6.986 1.881 -15.901 238 H ILE 32 H ILE 32 5.287 2.012 -13.784 239 HA ILE 32 HA ILE 32 5.025 4.755 -13.362 240 HB ILE 32 HB ILE 32 3.202 3.096 -13.396 241 1HG1 ILE 32 2HG1 ILE 32 3.237 5.452 -12.182 242 2HG1 ILE 32 1HG1 ILE 32 1.836 4.401 -12.126 243 1HG2 ILE 32 1HG2 ILE 32 2.805 2.052 -11.003 244 2HG2 ILE 32 2HG2 ILE 32 3.799 1.224 -12.225 245 3HG2 ILE 32 3HG2 ILE 32 4.580 2.147 -10.919 246 1HD1 ILE 32 1HD1 ILE 32 2.721 5.413 -9.883 247 2HD1 ILE 32 2HD1 ILE 32 2.286 3.688 -9.912 248 3HD1 ILE 32 3HD1 ILE 32 3.995 4.176 -10.006 249 H SER 33 H SER 33 5.115 5.975 -11.329 250 HA SER 33 HA SER 33 7.304 4.962 -9.697 251 1HB SER 33 2HB SER 33 6.837 7.490 -10.961 252 2HB SER 33 1HB SER 33 6.736 7.766 -9.234 253 HG SER 33 HG SER 33 8.944 7.843 -10.375 254 H ILE 34 H ILE 34 6.907 4.489 -7.551 255 HA ILE 34 HA ILE 34 4.597 5.742 -6.290 256 HB ILE 34 HB ILE 34 3.728 3.666 -5.480 257 1HG1 ILE 34 2HG1 ILE 34 5.680 2.094 -7.153 258 2HG1 ILE 34 1HG1 ILE 34 6.089 2.568 -5.517 259 1HG2 ILE 34 1HG2 ILE 34 3.328 4.594 -7.938 260 2HG2 ILE 34 2HG2 ILE 34 4.041 3.023 -8.375 261 3HG2 ILE 34 3HG2 ILE 34 2.581 3.085 -7.359 262 1HD1 ILE 34 1HD1 ILE 34 3.861 0.746 -6.456 263 2HD1 ILE 34 2HD1 ILE 34 5.087 0.461 -5.198 264 3HD1 ILE 34 3HD1 ILE 34 3.733 1.573 -4.885 265 H ASN 35 H ASN 35 4.634 5.154 -3.827 266 HA ASN 35 HA ASN 35 7.315 5.714 -3.004 267 1HB ASN 35 2HB ASN 35 4.862 5.329 -1.223 268 2HB ASN 35 1HB ASN 35 6.319 6.220 -0.832 269 1HD2 ASN 35 1HD2 ASN 35 3.517 7.051 -0.872 270 2HD2 ASN 35 2HD2 ASN 35 3.400 8.419 -1.928 271 H THR 36 H THR 36 7.258 3.143 -4.065 272 HA THR 36 HA THR 36 6.530 1.115 -2.257 273 HB THR 36 HB THR 36 6.946 0.961 -4.783 274 HG1 THR 36 1HG THR 36 8.610 -0.740 -3.074 275 1HG2 THR 36 1HG2 THR 36 9.267 2.143 -4.600 276 2HG2 THR 36 2HG2 THR 36 9.853 0.599 -3.933 277 3HG2 THR 36 3HG2 THR 36 9.193 0.662 -5.585 278 H ASP 37 H ASP 37 8.907 3.507 -1.963 279 HA ASP 37 HA ASP 37 11.016 2.061 -0.935 280 1HB ASP 37 2HB ASP 37 10.104 4.845 -1.018 281 2HB ASP 37 1HB ASP 37 10.864 4.498 0.522 282 H ASN 38 H ASN 38 8.082 3.554 0.589 283 HA ASN 38 HA ASN 38 8.713 2.012 2.984 284 1HB ASN 38 2HB ASN 38 6.953 3.925 3.889 285 2HB ASN 38 1HB ASN 38 8.694 4.106 3.958 286 1HD2 ASN 38 1HD2 ASN 38 6.057 5.734 3.283 287 2HD2 ASN 38 2HD2 ASN 38 6.561 6.782 2.000 288 H ALA 39 H ALA 39 7.257 1.068 0.607 289 HA ALA 39 HA ALA 39 4.478 1.085 1.545 290 1HB ALA 39 1HB ALA 39 3.836 0.775 -0.669 291 2HB ALA 39 2HB ALA 39 5.301 1.765 -0.874 292 3HB ALA 39 3HB ALA 39 5.375 0.004 -1.120 293 H ASP 40 H ASP 40 6.546 -1.265 -0.294 294 HA ASP 40 HA ASP 40 5.250 -3.435 0.879 295 1HB ASP 40 2HB ASP 40 6.232 -4.089 -1.101 296 2HB ASP 40 1HB ASP 40 7.561 -2.958 -0.934 297 H LEU 41 H LEU 41 5.689 -4.467 2.850 298 HA LEU 41 HA LEU 41 8.269 -3.852 4.109 299 1HB LEU 41 2HB LEU 41 5.501 -3.568 5.144 300 2HB LEU 41 1HB LEU 41 6.693 -4.224 6.247 301 HG LEU 41 HG LEU 41 8.011 -2.258 6.186 302 1HD1 LEU 41 1HD1 LEU 41 7.163 -0.305 4.650 303 2HD1 LEU 41 2HD1 LEU 41 8.236 -1.570 4.006 304 3HD1 LEU 41 3HD1 LEU 41 6.488 -1.639 3.682 305 1HD2 LEU 41 1HD2 LEU 41 5.217 -2.142 6.833 306 2HD2 LEU 41 2HD2 LEU 41 6.594 -1.327 7.614 307 3HD2 LEU 41 3HD2 LEU 41 5.758 -0.550 6.246 308 H ASN 42 H ASN 42 6.975 -6.122 2.379 309 HA ASN 42 HA ASN 42 7.651 -8.217 4.293 310 1HB ASN 42 2HB ASN 42 6.039 -9.162 2.030 311 2HB ASN 42 1HB ASN 42 5.741 -9.358 3.745 312 1HD2 ASN 42 1HD2 ASN 42 3.783 -8.707 4.190 313 2HD2 ASN 42 2HD2 ASN 42 3.017 -7.246 3.665 314 H GLU 43 H GLU 43 8.671 -6.460 1.662 315 HA GLU 43 HA GLU 43 10.227 -6.731 0.169 316 1HB GLU 43 2HB GLU 43 10.970 -8.575 2.092 317 2HB GLU 43 1HB GLU 43 10.882 -9.585 0.663 318 1HG GLU 43 2HG GLU 43 12.314 -7.826 -0.543 319 2HG GLU 43 1HG GLU 43 12.539 -7.047 1.011 320 H ASP 44 H ASP 44 7.618 -7.023 -0.668 321 HA ASP 44 HA ASP 44 7.783 -9.287 -2.498 322 1HB ASP 44 2HB ASP 44 5.202 -7.806 -2.065 323 2HB ASP 44 1HB ASP 44 5.457 -9.507 -2.403 324 H GLY 45 H GLY 45 7.096 -5.792 -2.008 325 1HA GLY 45 2HA GLY 45 8.117 -4.660 -4.145 326 2HA GLY 45 1HA GLY 45 6.689 -5.366 -4.875 327 H ARG 46 H ARG 46 4.525 -4.897 -3.704 328 HA ARG 46 HA ARG 46 4.617 -2.418 -2.245 329 1HB ARG 46 2HB ARG 46 2.580 -2.540 -4.460 330 2HB ARG 46 1HB ARG 46 3.367 -1.141 -3.757 331 1HG ARG 46 2HG ARG 46 4.391 -1.271 -5.875 332 2HG ARG 46 1HG ARG 46 5.559 -2.080 -4.851 333 1HD ARG 46 2HD ARG 46 3.829 -4.163 -5.576 334 2HD ARG 46 1HD ARG 46 3.892 -3.188 -7.030 335 HE ARG 46 HE ARG 46 6.554 -3.522 -5.981 336 1HH1 ARG 46 2HH2 ARG 46 4.020 -5.298 -7.658 337 2HH1 ARG 46 1HH2 ARG 46 5.121 -6.391 -8.429 338 1HH2 ARG 46 2HH1 ARG 46 8.005 -4.964 -6.998 339 2HH2 ARG 46 1HH1 ARG 46 7.403 -6.200 -8.051 340 H VAL 47 H VAL 47 2.258 -4.592 -3.988 341 HA VAL 47 HA VAL 47 1.186 -5.549 -1.534 342 HB VAL 47 HB VAL 47 -0.075 -3.694 -1.223 343 1HG1 VAL 47 1HG1 VAL 47 0.875 -2.477 -3.161 344 2HG1 VAL 47 2HG1 VAL 47 -0.311 -3.276 -4.222 345 3HG1 VAL 47 3HG1 VAL 47 -0.866 -2.166 -2.946 346 1HG2 VAL 47 1HG2 VAL 47 -2.017 -4.601 -3.281 347 2HG2 VAL 47 2HG2 VAL 47 -1.477 -5.826 -2.109 348 3HG2 VAL 47 3HG2 VAL 47 -2.236 -4.320 -1.537 349 H ASN 48 H ASN 48 1.630 -7.592 -2.422 350 HA ASN 48 HA ASN 48 0.721 -8.192 -5.038 351 1HB ASN 48 2HB ASN 48 2.021 -9.726 -2.767 352 2HB ASN 48 1HB ASN 48 1.285 -10.637 -4.071 353 1HD2 ASN 48 1HD2 ASN 48 3.370 -7.791 -3.570 354 2HD2 ASN 48 2HD2 ASN 48 4.497 -8.117 -4.844 355 H SER 49 H SER 49 -0.184 -9.029 -1.622 356 HA SER 49 HA SER 49 -2.881 -9.057 -2.121 357 1HB SER 49 2HB SER 49 -3.403 -11.490 -2.009 358 2HB SER 49 1HB SER 49 -2.529 -11.068 -3.469 359 HG SER 49 HG SER 49 -1.249 -12.090 -1.081 360 H THR 50 H THR 50 -0.089 -10.410 -0.324 361 HA THR 50 HA THR 50 -1.509 -10.908 2.079 362 HB THR 50 HB THR 50 1.431 -10.574 1.312 363 HG1 THR 50 1HG THR 50 -0.486 -12.678 2.009 364 1HG2 THR 50 1HG2 THR 50 0.646 -10.173 3.884 365 2HG2 THR 50 2HG2 THR 50 0.576 -11.951 3.850 366 3HG2 THR 50 3HG2 THR 50 2.102 -11.113 3.481 367 H ASP 51 H ASP 51 0.469 -8.129 0.891 368 HA ASP 51 HA ASP 51 0.272 -6.713 3.265 369 1HB ASP 51 2HB ASP 51 0.689 -5.867 0.368 370 2HB ASP 51 1HB ASP 51 0.712 -4.701 1.676 371 H LEU 52 H LEU 52 -1.638 -6.698 0.177 372 HA LEU 52 HA LEU 52 -3.297 -4.604 0.571 373 1HB LEU 52 2HB LEU 52 -3.886 -5.449 -1.379 374 2HB LEU 52 1HB LEU 52 -3.274 -7.039 -0.966 375 HG LEU 52 HG LEU 52 -5.395 -7.606 0.123 376 1HD1 LEU 52 1HD1 LEU 52 -6.655 -5.964 0.934 377 2HD1 LEU 52 2HD1 LEU 52 -5.841 -4.742 -0.071 378 3HD1 LEU 52 3HD1 LEU 52 -7.206 -5.671 -0.733 379 1HD2 LEU 52 1HD2 LEU 52 -5.020 -7.092 -2.688 380 2HD2 LEU 52 2HD2 LEU 52 -5.895 -8.416 -1.880 381 3HD2 LEU 52 3HD2 LEU 52 -6.732 -6.888 -2.246 382 H GLY 53 H GLY 53 -3.979 -7.998 1.692 383 1HA GLY 53 2HA GLY 53 -6.286 -7.664 3.033 384 2HA GLY 53 1HA GLY 53 -4.990 -8.702 3.592 385 H ILE 54 H ILE 54 -3.198 -7.628 4.922 386 HA ILE 54 HA ILE 54 -4.162 -6.504 7.173 387 HB ILE 54 HB ILE 54 -1.692 -7.192 6.150 388 1HG1 ILE 54 2HG1 ILE 54 -2.522 -7.693 8.386 389 2HG1 ILE 54 1HG1 ILE 54 -0.928 -6.970 8.458 390 1HG2 ILE 54 1HG2 ILE 54 -1.273 -4.943 5.344 391 2HG2 ILE 54 2HG2 ILE 54 -1.636 -4.269 6.951 392 3HG2 ILE 54 3HG2 ILE 54 -0.209 -5.308 6.724 393 1HD1 ILE 54 1HD1 ILE 54 -2.538 -6.029 10.155 394 2HD1 ILE 54 2HD1 ILE 54 -1.863 -4.793 9.067 395 3HD1 ILE 54 3HD1 ILE 54 -3.519 -5.395 8.812 396 H LEU 55 H LEU 55 -2.983 -4.758 4.234 397 HA LEU 55 HA LEU 55 -3.204 -2.196 5.200 398 1HB LEU 55 2HB LEU 55 -3.277 -3.495 2.532 399 2HB LEU 55 1HB LEU 55 -3.864 -1.846 2.624 400 HG LEU 55 HG LEU 55 -1.396 -1.942 4.048 401 1HD1 LEU 55 1HD1 LEU 55 -1.438 -3.593 1.560 402 2HD1 LEU 55 2HD1 LEU 55 -0.035 -2.537 1.855 403 3HD1 LEU 55 3HD1 LEU 55 -0.481 -3.779 3.049 404 1HD2 LEU 55 1HD2 LEU 55 -0.743 -0.528 1.915 405 2HD2 LEU 55 2HD2 LEU 55 -2.494 -0.610 1.607 406 3HD2 LEU 55 3HD2 LEU 55 -1.890 0.094 3.126 407 H LYS 56 H LYS 56 -5.716 -4.032 3.313 408 HA LYS 56 HA LYS 56 -7.707 -2.131 3.659 409 1HB LYS 56 2HB LYS 56 -7.906 -3.784 1.951 410 2HB LYS 56 1HB LYS 56 -7.782 -5.101 3.099 411 1HG LYS 56 2HG LYS 56 -9.988 -4.939 3.734 412 2HG LYS 56 1HG LYS 56 -9.979 -3.187 3.697 413 1HD LYS 56 2HD LYS 56 -10.327 -3.118 1.321 414 2HD LYS 56 1HD LYS 56 -9.884 -4.802 1.122 415 1HE LYS 56 2HE LYS 56 -11.996 -5.036 2.886 416 2HE LYS 56 1HE LYS 56 -12.483 -3.615 1.982 417 1HZ LYS 56 1HZ LYS 56 -12.957 -4.884 0.263 418 2HZ LYS 56 2HZ LYS 56 -11.485 -5.591 0.251 419 3HZ LYS 56 3HZ LYS 56 -12.680 -6.211 1.174 420 H ARG 57 H ARG 57 -6.127 -4.032 5.994 421 HA ARG 57 HA ARG 57 -8.455 -4.267 7.656 422 1HB ARG 57 2HB ARG 57 -5.965 -5.637 7.437 423 2HB ARG 57 1HB ARG 57 -5.914 -4.842 8.998 424 1HG ARG 57 2HG ARG 57 -8.388 -5.803 9.243 425 2HG ARG 57 1HG ARG 57 -7.874 -6.919 7.994 426 1HD ARG 57 2HD ARG 57 -5.759 -7.292 9.540 427 2HD ARG 57 1HD ARG 57 -6.753 -6.579 10.795 428 HE ARG 57 HE ARG 57 -8.346 -8.552 9.536 429 1HH1 ARG 57 2HH2 ARG 57 -5.374 -8.405 11.415 430 2HH1 ARG 57 1HH2 ARG 57 -5.563 -9.994 12.078 431 1HH2 ARG 57 2HH1 ARG 57 -8.596 -10.649 10.410 432 2HH2 ARG 57 1HH1 ARG 57 -7.408 -11.280 11.502 433 H TYR 58 H TYR 58 -5.264 -2.554 7.568 434 HA TYR 58 HA TYR 58 -5.989 -1.017 9.921 435 1HB TYR 58 2HB TYR 58 -3.659 -0.739 9.981 436 2HB TYR 58 1HB TYR 58 -3.658 -2.077 8.849 437 HD1 TYR 58 1HD TYR 58 -4.093 1.657 8.761 438 HD2 TYR 58 2HD TYR 58 -2.391 -1.814 6.928 439 HE1 TYR 58 1HE TYR 58 -2.959 3.123 7.020 440 HE2 TYR 58 2HE TYR 58 -1.263 -0.337 5.195 441 HH TYR 58 HH TYR 58 -1.339 3.157 5.478 442 H ILE 59 H ILE 59 -5.486 -0.612 6.377 443 HA ILE 59 HA ILE 59 -5.631 2.169 6.346 444 HB ILE 59 HB ILE 59 -5.945 1.958 4.006 445 1HG1 ILE 59 2HG1 ILE 59 -6.256 -0.747 3.410 446 2HG1 ILE 59 1HG1 ILE 59 -7.383 -0.481 4.725 447 1HG2 ILE 59 1HG2 ILE 59 -4.110 0.014 5.334 448 2HG2 ILE 59 2HG2 ILE 59 -4.283 -0.061 3.564 449 3HG2 ILE 59 3HG2 ILE 59 -3.748 1.447 4.343 450 1HD1 ILE 59 1HD1 ILE 59 -8.587 1.182 3.537 451 2HD1 ILE 59 2HD1 ILE 59 -7.242 1.478 2.410 452 3HD1 ILE 59 3HD1 ILE 59 -8.195 -0.020 2.284 453 H LEU 60 H LEU 60 -8.043 -0.281 6.948 454 HA LEU 60 HA LEU 60 -10.334 0.873 6.014 455 1HB LEU 60 2HB LEU 60 -9.683 -1.287 7.532 456 2HB LEU 60 1HB LEU 60 -10.491 -0.286 8.721 457 HG LEU 60 HG LEU 60 -12.355 -0.090 6.866 458 1HD1 LEU 60 1HD1 LEU 60 -12.514 -1.765 5.285 459 2HD1 LEU 60 2HD1 LEU 60 -10.769 -1.419 5.279 460 3HD1 LEU 60 3HD1 LEU 60 -11.391 -2.842 6.149 461 1HD2 LEU 60 1HD2 LEU 60 -13.061 -0.993 8.854 462 2HD2 LEU 60 2HD2 LEU 60 -13.242 -2.393 7.771 463 3HD2 LEU 60 3HD2 LEU 60 -11.826 -2.275 8.844 464 H LYS 61 H LYS 61 -8.747 1.453 9.231 465 HA LYS 61 HA LYS 61 -9.259 4.195 9.162 466 1HB LYS 61 2HB LYS 61 -11.615 3.540 9.372 467 2HB LYS 61 1HB LYS 61 -11.251 2.611 10.813 468 1HG LYS 61 2HG LYS 61 -12.156 5.039 11.120 469 2HG LYS 61 1HG LYS 61 -10.803 4.536 12.113 470 1HD LYS 61 2HD LYS 61 -9.227 5.773 10.831 471 2HD LYS 61 1HD LYS 61 -10.285 5.865 9.437 472 1HE LYS 61 2HE LYS 61 -11.657 7.542 10.423 473 2HE LYS 61 1HE LYS 61 -11.126 7.162 12.048 474 1HZ LYS 61 1HZ LYS 61 -9.588 8.510 9.950 475 2HZ LYS 61 2HZ LYS 61 -10.022 9.098 11.410 476 3HZ LYS 61 3HZ LYS 61 -8.888 7.930 11.306 477 H GLU 62 H GLU 62 -7.126 2.294 9.670 478 HA GLU 62 HA GLU 62 -6.661 2.948 12.477 479 1HB GLU 62 2HB GLU 62 -6.648 0.381 11.194 480 2HB GLU 62 1HB GLU 62 -4.988 0.752 11.615 481 1HG GLU 62 2HG GLU 62 -5.656 1.217 13.960 482 2HG GLU 62 1HG GLU 62 -7.340 0.945 13.557 483 H ILE 63 H ILE 63 -5.852 3.591 9.271 484 HA ILE 63 HA ILE 63 -3.189 3.603 9.001 485 HB ILE 63 HB ILE 63 -4.456 4.389 7.230 486 1HG1 ILE 63 2HG1 ILE 63 -3.648 6.819 6.902 487 2HG1 ILE 63 1HG1 ILE 63 -2.864 6.640 8.459 488 1HG2 ILE 63 1HG2 ILE 63 -6.452 5.258 7.708 489 2HG2 ILE 63 2HG2 ILE 63 -5.910 5.862 9.292 490 3HG2 ILE 63 3HG2 ILE 63 -5.618 6.826 7.824 491 1HD1 ILE 63 1HD1 ILE 63 -1.316 6.060 6.611 492 2HD1 ILE 63 2HD1 ILE 63 -1.636 4.640 7.634 493 3HD1 ILE 63 3HD1 ILE 63 -2.445 4.801 6.057 494 H ASP 64 H ASP 64 -1.530 4.166 10.292 495 HA ASP 64 HA ASP 64 -0.908 6.553 11.164 496 1HB ASP 64 2HB ASP 64 -3.081 5.453 12.872 497 2HB ASP 64 1HB ASP 64 -1.692 6.018 13.778 498 H THR 65 H THR 65 -1.250 3.101 11.828 499 HA THR 65 HA THR 65 1.521 3.013 12.732 500 HB THR 65 HB THR 65 -0.928 2.337 14.350 501 HG1 THR 65 1HG THR 65 0.852 2.948 15.943 502 1HG2 THR 65 1HG2 THR 65 1.735 0.906 14.775 503 2HG2 THR 65 2HG2 THR 65 0.197 0.630 15.627 504 3HG2 THR 65 3HG2 THR 65 0.377 0.123 13.931 505 H LEU 66 H LEU 66 -1.462 1.209 11.792 506 HA LEU 66 HA LEU 66 -1.735 -0.523 10.453 507 1HB LEU 66 2HB LEU 66 -0.620 0.488 8.708 508 2HB LEU 66 1HB LEU 66 0.931 0.456 9.523 509 HG LEU 66 HG LEU 66 -0.331 -2.149 8.746 510 1HD1 LEU 66 1HD1 LEU 66 0.266 -0.042 6.867 511 2HD1 LEU 66 2HD1 LEU 66 1.341 -1.436 6.604 512 3HD1 LEU 66 3HD1 LEU 66 -0.425 -1.657 6.585 513 1HD2 LEU 66 1HD2 LEU 66 2.156 -1.292 9.814 514 2HD2 LEU 66 2HD2 LEU 66 1.636 -2.941 9.392 515 3HD2 LEU 66 3HD2 LEU 66 2.464 -1.932 8.182 516 HA PRO 67 HA PRO 67 -0.043 -3.437 13.281 517 1HB PRO 67 2HB PRO 67 -2.144 -5.184 13.216 518 2HB PRO 67 1HB PRO 67 -2.064 -3.822 14.315 519 1HG PRO 67 2HG PRO 67 -3.688 -4.133 11.865 520 2HG PRO 67 1HG PRO 67 -3.898 -2.998 13.184 521 1HD PRO 67 2HD PRO 67 -2.800 -2.437 10.594 522 2HD PRO 67 1HD PRO 67 -2.902 -1.333 11.951 523 H TYR 68 H TYR 68 1.435 -3.466 11.222 524 HA TYR 68 HA TYR 68 1.235 -5.139 9.194 525 1HB TYR 68 2HB TYR 68 3.741 -5.653 9.760 526 2HB TYR 68 1HB TYR 68 3.309 -3.956 9.688 527 HD1 TYR 68 1HD TYR 68 3.217 -2.590 11.717 528 HD2 TYR 68 2HD TYR 68 4.251 -6.737 11.900 529 HE1 TYR 68 1HE TYR 68 4.098 -2.274 14.080 530 HE2 TYR 68 2HE TYR 68 5.129 -6.407 14.263 531 HH TYR 68 HH TYR 68 6.094 -4.359 15.553 532 H LYS 69 H LYS 69 0.982 -7.287 8.731 533 HA LYS 69 HA LYS 69 1.393 -9.165 10.942 534 1HB LYS 69 2HB LYS 69 -1.125 -8.392 9.892 535 2HB LYS 69 1HB LYS 69 -0.810 -10.005 9.285 536 1HG LYS 69 2HG LYS 69 -0.265 -9.401 12.202 537 2HG LYS 69 1HG LYS 69 -1.919 -9.653 11.682 538 1HD LYS 69 2HD LYS 69 -1.608 -11.898 11.623 539 2HD LYS 69 1HD LYS 69 -0.280 -11.721 10.495 540 1HE LYS 69 2HE LYS 69 1.252 -11.209 12.452 541 2HE LYS 69 1HE LYS 69 -0.085 -11.529 13.538 542 1HZ LYS 69 1HZ LYS 69 -0.196 -13.748 12.733 543 2HZ LYS 69 2HZ LYS 69 0.925 -13.470 11.578 544 3HZ LYS 69 3HZ LYS 69 1.352 -13.449 13.155 545 H ASN 70 H ASN 70 2.395 -11.079 10.370 546 HA ASN 70 HA ASN 70 3.141 -11.204 7.559 547 1HB ASN 70 2HB ASN 70 4.491 -12.463 10.008 548 2HB ASN 70 1HB ASN 70 5.086 -12.581 8.363 549 1HD2 ASN 70 1HD2 ASN 70 5.820 -10.717 7.277 550 2HD2 ASN 70 2HD2 ASN 70 6.387 -9.321 8.131 551 H GLY 71 H GLY 71 1.612 -12.608 6.611 552 1HA GLY 71 2HA GLY 71 1.697 -15.341 7.027 553 2HA GLY 71 1HA GLY 71 0.382 -14.749 8.021 Start of MODEL 7 1 H MET 1 H MET 1 -0.472 22.035 7.749 2 HA MET 1 HA MET 1 0.787 20.243 7.654 3 1HB MET 1 2HB MET 1 1.001 21.285 10.487 4 2HB MET 1 1HB MET 1 1.817 19.775 10.134 5 1HG MET 1 2HG MET 1 3.024 20.879 8.229 6 2HG MET 1 1HG MET 1 2.218 22.391 8.600 7 1HE MET 1 1HE MET 1 5.040 23.318 8.841 8 2HE MET 1 2HE MET 1 6.127 22.238 9.747 9 3HE MET 1 3HE MET 1 5.230 21.620 8.339 10 H SER 2 H SER 2 1.069 17.924 8.084 11 HA SER 2 HA SER 2 -0.330 16.581 10.032 12 1HB SER 2 2HB SER 2 -2.266 17.485 8.524 13 2HB SER 2 1HB SER 2 -1.747 16.279 7.364 14 HG SER 2 HG SER 2 -1.984 15.212 9.922 15 H THR 3 H THR 3 0.051 14.253 9.875 16 HA THR 3 HA THR 3 1.272 13.208 7.491 17 HB THR 3 HB THR 3 3.244 14.311 8.369 18 HG1 THR 3 1HG THR 3 3.122 11.616 9.514 19 1HG2 THR 3 1HG2 THR 3 3.574 14.706 10.596 20 2HG2 THR 3 2HG2 THR 3 1.982 13.978 10.909 21 3HG2 THR 3 3HG2 THR 3 3.446 12.968 10.956 22 H LYS 4 H LYS 4 0.382 11.268 7.244 23 HA LYS 4 HA LYS 4 0.537 9.296 9.202 24 1HB LYS 4 2HB LYS 4 -1.611 11.098 9.668 25 2HB LYS 4 1HB LYS 4 -2.318 9.612 9.065 26 1HG LYS 4 2HG LYS 4 -0.427 8.613 10.815 27 2HG LYS 4 1HG LYS 4 -0.853 10.115 11.611 28 1HD LYS 4 2HD LYS 4 -3.320 8.971 10.741 29 2HD LYS 4 1HD LYS 4 -2.393 7.647 11.420 30 1HE LYS 4 2HE LYS 4 -2.034 8.928 13.513 31 2HE LYS 4 1HE LYS 4 -2.864 10.315 12.836 32 1HZ LYS 4 1HZ LYS 4 -4.692 9.412 13.637 33 2HZ LYS 4 2HZ LYS 4 -4.585 8.235 12.508 34 3HZ LYS 4 3HZ LYS 4 -3.961 7.996 13.998 35 H LEU 5 H LEU 5 1.418 8.341 7.267 36 HA LEU 5 HA LEU 5 -0.520 6.872 5.831 37 1HB LEU 5 2HB LEU 5 -0.324 7.747 3.665 38 2HB LEU 5 1HB LEU 5 -0.719 9.092 4.717 39 HG LEU 5 HG LEU 5 2.135 8.516 3.921 40 1HD1 LEU 5 1HD1 LEU 5 1.564 10.485 2.228 41 2HD1 LEU 5 2HD1 LEU 5 1.379 8.771 1.789 42 3HD1 LEU 5 3HD1 LEU 5 -0.043 9.723 2.280 43 1HD2 LEU 5 1HD2 LEU 5 1.183 11.279 4.318 44 2HD2 LEU 5 2HD2 LEU 5 1.120 10.243 5.764 45 3HD2 LEU 5 3HD2 LEU 5 2.658 10.469 4.897 46 H TYR 6 H TYR 6 0.410 5.008 5.003 47 HA TYR 6 HA TYR 6 3.338 4.960 4.892 48 1HB TYR 6 2HB TYR 6 2.120 4.070 7.085 49 2HB TYR 6 1HB TYR 6 1.540 2.767 6.068 50 HD1 TYR 6 1HD TYR 6 3.812 3.345 8.489 51 HD2 TYR 6 2HD TYR 6 3.739 1.924 4.454 52 HE1 TYR 6 1HE TYR 6 5.967 2.061 8.895 53 HE2 TYR 6 2HE TYR 6 5.895 0.644 4.874 54 HH TYR 6 HH TYR 6 7.197 0.307 8.069 55 H GLY 7 H GLY 7 4.090 4.007 3.058 56 1HA GLY 7 2HA GLY 7 4.134 2.803 1.159 57 2HA GLY 7 1HA GLY 7 2.923 1.747 1.857 58 H ASP 8 H ASP 8 3.026 5.218 0.749 59 HA ASP 8 HA ASP 8 0.393 4.842 -0.342 60 1HB ASP 8 2HB ASP 8 1.630 6.967 0.892 61 2HB ASP 8 1HB ASP 8 1.883 7.398 -0.788 62 H VAL 9 H VAL 9 -0.067 5.146 -2.641 63 HA VAL 9 HA VAL 9 2.262 4.656 -4.322 64 HB VAL 9 HB VAL 9 -0.631 4.055 -4.390 65 1HG1 VAL 9 1HG1 VAL 9 0.906 4.521 -6.969 66 2HG1 VAL 9 2HG1 VAL 9 -0.738 3.853 -6.822 67 3HG1 VAL 9 3HG1 VAL 9 -0.416 5.540 -6.352 68 1HG2 VAL 9 1HG2 VAL 9 1.300 2.439 -3.958 69 2HG2 VAL 9 2HG2 VAL 9 0.095 1.940 -5.169 70 3HG2 VAL 9 3HG2 VAL 9 1.670 2.581 -5.693 71 H ASN 10 H ASN 10 -0.719 6.740 -4.272 72 HA ASN 10 HA ASN 10 0.707 8.549 -6.031 73 1HB ASN 10 2HB ASN 10 -1.734 9.664 -5.947 74 2HB ASN 10 1HB ASN 10 -1.423 8.275 -6.968 75 1HD2 ASN 10 1HD2 ASN 10 -3.604 7.713 -6.878 76 2HD2 ASN 10 2HD2 ASN 10 -4.313 6.932 -5.504 77 H ASP 11 H ASP 11 0.943 8.081 -2.934 78 HA ASP 11 HA ASP 11 1.110 9.217 -1.090 79 1HB ASP 11 2HB ASP 11 2.742 10.471 -2.543 80 2HB ASP 11 1HB ASP 11 1.475 11.606 -2.961 81 H ASP 12 H ASP 12 -1.562 8.801 -1.694 82 HA ASP 12 HA ASP 12 -2.804 11.402 -1.281 83 1HB ASP 12 2HB ASP 12 -4.053 10.624 -3.038 84 2HB ASP 12 1HB ASP 12 -3.542 8.966 -2.787 85 H GLY 13 H GLY 13 -2.817 7.895 -0.335 86 1HA GLY 13 2HA GLY 13 -3.505 8.644 2.401 87 2HA GLY 13 1HA GLY 13 -4.641 7.615 1.554 88 H LYS 14 H LYS 14 -3.267 5.799 0.136 89 HA LYS 14 HA LYS 14 -0.905 4.821 1.177 90 1HB LYS 14 2HB LYS 14 -1.771 2.898 2.540 91 2HB LYS 14 1HB LYS 14 -1.908 4.471 3.299 92 1HG LYS 14 2HG LYS 14 -4.275 3.749 1.664 93 2HG LYS 14 1HG LYS 14 -3.987 2.642 2.991 94 1HD LYS 14 2HD LYS 14 -4.679 4.164 4.532 95 2HD LYS 14 1HD LYS 14 -3.626 5.406 3.881 96 1HE LYS 14 2HE LYS 14 -5.320 5.813 2.039 97 2HE LYS 14 1HE LYS 14 -6.386 4.651 2.805 98 1HZ LYS 14 1HZ LYS 14 -6.492 6.009 4.723 99 2HZ LYS 14 2HZ LYS 14 -5.335 7.025 4.178 100 3HZ LYS 14 3HZ LYS 14 -6.791 6.973 3.439 101 H VAL 15 H VAL 15 -0.454 2.575 0.352 102 HA VAL 15 HA VAL 15 -1.656 2.326 -2.235 103 HB VAL 15 HB VAL 15 0.760 2.037 -1.751 104 1HG1 VAL 15 1HG1 VAL 15 0.196 -0.716 -0.687 105 2HG1 VAL 15 2HG1 VAL 15 1.644 0.303 -0.503 106 3HG1 VAL 15 3HG1 VAL 15 0.170 0.676 0.422 107 1HG2 VAL 15 1HG2 VAL 15 -0.164 -0.603 -2.823 108 2HG2 VAL 15 2HG2 VAL 15 -0.674 0.881 -3.663 109 3HG2 VAL 15 3HG2 VAL 15 1.058 0.527 -3.456 110 H ASN 16 H ASN 16 -3.593 1.362 -2.539 111 HA ASN 16 HA ASN 16 -4.007 -1.169 -1.249 112 1HB ASN 16 2HB ASN 16 -6.436 -0.372 -0.669 113 2HB ASN 16 1HB ASN 16 -5.142 0.115 0.407 114 1HD2 ASN 16 1HD2 ASN 16 -7.322 1.555 0.555 115 2HD2 ASN 16 2HD2 ASN 16 -7.171 3.111 -0.193 116 H SER 17 H SER 17 -6.630 -1.688 -2.035 117 HA SER 17 HA SER 17 -6.447 -2.240 -4.662 118 1HB SER 17 2HB SER 17 -8.156 -3.328 -3.441 119 2HB SER 17 1HB SER 17 -8.811 -1.827 -2.819 120 HG SER 17 HG SER 17 -9.232 -3.089 -5.326 121 H THR 18 H THR 18 -7.145 0.840 -3.132 122 HA THR 18 HA THR 18 -8.474 2.017 -5.372 123 HB THR 18 HB THR 18 -7.079 3.259 -2.943 124 HG1 THR 18 1HG THR 18 -9.099 2.824 -1.975 125 1HG2 THR 18 1HG2 THR 18 -9.056 4.252 -5.026 126 2HG2 THR 18 2HG2 THR 18 -9.140 4.876 -3.361 127 3HG2 THR 18 3HG2 THR 18 -7.660 5.103 -4.322 128 H ASP 19 H ASP 19 -5.105 1.577 -4.343 129 HA ASP 19 HA ASP 19 -4.301 3.342 -6.498 130 1HB ASP 19 2HB ASP 19 -2.489 1.918 -4.507 131 2HB ASP 19 1HB ASP 19 -2.100 3.320 -5.485 132 H ALA 20 H ALA 20 -5.440 0.408 -6.538 133 HA ALA 20 HA ALA 20 -3.392 -1.358 -7.196 134 1HB ALA 20 1HB ALA 20 -6.203 -1.376 -8.345 135 2HB ALA 20 2HB ALA 20 -5.151 -2.766 -7.978 136 3HB ALA 20 3HB ALA 20 -5.857 -1.810 -6.653 137 H VAL 21 H VAL 21 -5.271 1.007 -9.157 138 HA VAL 21 HA VAL 21 -4.674 0.317 -11.670 139 HB VAL 21 HB VAL 21 -4.542 3.068 -10.422 140 1HG1 VAL 21 1HG1 VAL 21 -4.635 4.048 -12.523 141 2HG1 VAL 21 2HG1 VAL 21 -3.525 2.685 -12.805 142 3HG1 VAL 21 3HG1 VAL 21 -5.229 2.565 -13.308 143 1HG2 VAL 21 1HG2 VAL 21 -6.674 2.177 -9.962 144 2HG2 VAL 21 2HG2 VAL 21 -6.904 3.170 -11.422 145 3HG2 VAL 21 3HG2 VAL 21 -6.792 1.399 -11.559 146 H ALA 22 H ALA 22 -2.496 2.400 -9.628 147 HA ALA 22 HA ALA 22 -0.370 2.218 -11.477 148 1HB ALA 22 1HB ALA 22 -0.302 2.917 -8.516 149 2HB ALA 22 2HB ALA 22 0.889 3.378 -9.756 150 3HB ALA 22 3HB ALA 22 -0.757 4.054 -9.807 151 H LEU 23 H LEU 23 -1.521 0.235 -8.768 152 HA LEU 23 HA LEU 23 0.836 -1.130 -8.215 153 1HB LEU 23 2HB LEU 23 -1.433 -1.060 -6.999 154 2HB LEU 23 1HB LEU 23 -1.908 -2.352 -8.084 155 HG LEU 23 HG LEU 23 0.455 -3.339 -7.148 156 1HD1 LEU 23 1HD1 LEU 23 -0.768 -1.775 -4.858 157 2HD1 LEU 23 2HD1 LEU 23 0.520 -2.996 -4.716 158 3HD1 LEU 23 3HD1 LEU 23 0.818 -1.487 -5.613 159 1HD2 LEU 23 1HD2 LEU 23 -1.976 -4.271 -7.260 160 2HD2 LEU 23 2HD2 LEU 23 -0.816 -4.954 -6.095 161 3HD2 LEU 23 3HD2 LEU 23 -2.046 -3.789 -5.548 162 H LYS 24 H LYS 24 -1.926 -2.150 -10.353 163 HA LYS 24 HA LYS 24 -0.828 -4.413 -11.361 164 1HB LYS 24 2HB LYS 24 -3.133 -3.460 -11.753 165 2HB LYS 24 1HB LYS 24 -2.437 -2.418 -12.977 166 1HG LYS 24 2HG LYS 24 -1.447 -4.606 -14.010 167 2HG LYS 24 1HG LYS 24 -2.569 -5.456 -12.967 168 1HD LYS 24 2HD LYS 24 -3.964 -3.287 -14.319 169 2HD LYS 24 1HD LYS 24 -3.112 -4.257 -15.504 170 1HE LYS 24 2HE LYS 24 -4.977 -5.593 -15.379 171 2HE LYS 24 1HE LYS 24 -4.170 -6.260 -13.974 172 1HZ LYS 24 1HZ LYS 24 -6.447 -4.519 -14.101 173 2HZ LYS 24 2HZ LYS 24 -6.061 -5.653 -12.990 174 3HZ LYS 24 3HZ LYS 24 -5.383 -4.168 -12.912 175 H ARG 25 H ARG 25 -0.237 -1.016 -12.432 176 HA ARG 25 HA ARG 25 1.347 -1.708 -14.584 177 1HB ARG 25 2HB ARG 25 0.876 0.745 -12.921 178 2HB ARG 25 1HB ARG 25 2.365 0.737 -13.845 179 1HG ARG 25 2HG ARG 25 1.275 0.871 -15.872 180 2HG ARG 25 1HG ARG 25 -0.030 -0.182 -15.364 181 1HD ARG 25 2HD ARG 25 -1.268 1.750 -15.326 182 2HD ARG 25 1HD ARG 25 -0.526 1.990 -13.758 183 HE ARG 25 HE ARG 25 1.314 3.038 -15.600 184 1HH1 ARG 25 2HH2 ARG 25 -2.038 3.654 -14.726 185 2HH1 ARG 25 1HH2 ARG 25 -1.976 5.331 -15.156 186 1HH2 ARG 25 2HH1 ARG 25 1.397 5.250 -16.166 187 2HH2 ARG 25 1HH1 ARG 25 -0.008 6.245 -15.980 188 H TYR 26 H TYR 26 2.012 -1.340 -11.091 189 HA TYR 26 HA TYR 26 4.863 -1.404 -11.427 190 1HB TYR 26 2HB TYR 26 3.427 -0.298 -9.564 191 2HB TYR 26 1HB TYR 26 3.019 -1.909 -9.010 192 HD1 TYR 26 1HD TYR 26 5.075 -3.472 -8.438 193 HD2 TYR 26 2HD TYR 26 5.262 0.797 -8.630 194 HE1 TYR 26 1HE TYR 26 7.157 -3.491 -6.980 195 HE2 TYR 26 2HE TYR 26 7.343 0.764 -7.171 196 HH TYR 26 HH TYR 26 8.743 -2.319 -6.097 197 H VAL 27 H VAL 27 2.214 -3.719 -10.821 198 HA VAL 27 HA VAL 27 3.923 -5.813 -9.957 199 HB VAL 27 HB VAL 27 1.141 -5.961 -11.127 200 1HG1 VAL 27 1HG1 VAL 27 1.552 -8.164 -10.897 201 2HG1 VAL 27 2HG1 VAL 27 2.961 -7.891 -9.843 202 3HG1 VAL 27 3HG1 VAL 27 1.319 -7.862 -9.158 203 1HG2 VAL 27 1HG2 VAL 27 0.237 -5.137 -9.240 204 2HG2 VAL 27 2HG2 VAL 27 1.402 -5.988 -8.197 205 3HG2 VAL 27 3HG2 VAL 27 1.847 -4.437 -8.949 206 H LEU 28 H LEU 28 2.295 -4.974 -13.086 207 HA LEU 28 HA LEU 28 3.168 -7.142 -14.535 208 1HB LEU 28 2HB LEU 28 1.968 -4.576 -15.012 209 2HB LEU 28 1HB LEU 28 3.186 -4.883 -16.233 210 HG LEU 28 HG LEU 28 2.060 -7.152 -16.592 211 1HD1 LEU 28 1HD1 LEU 28 0.039 -7.674 -15.678 212 2HD1 LEU 28 2HD1 LEU 28 0.724 -6.724 -14.339 213 3HD1 LEU 28 3HD1 LEU 28 -0.436 -5.973 -15.460 214 1HD2 LEU 28 1HD2 LEU 28 0.751 -4.524 -17.300 215 2HD2 LEU 28 2HD2 LEU 28 1.839 -5.532 -18.285 216 3HD2 LEU 28 3HD2 LEU 28 0.182 -6.083 -17.942 217 H ARG 29 H ARG 29 4.843 -4.055 -13.745 218 HA ARG 29 HA ARG 29 7.320 -5.307 -13.945 219 1HB ARG 29 2HB ARG 29 8.231 -3.934 -15.880 220 2HB ARG 29 1HB ARG 29 7.069 -5.154 -16.362 221 1HG ARG 29 2HG ARG 29 6.270 -3.286 -17.528 222 2HG ARG 29 1HG ARG 29 5.288 -3.222 -16.078 223 1HD ARG 29 2HD ARG 29 6.105 -1.158 -15.606 224 2HD ARG 29 1HD ARG 29 7.724 -1.818 -15.489 225 HE ARG 29 HE ARG 29 6.536 -0.480 -17.840 226 1HH1 ARG 29 2HH2 ARG 29 9.198 -2.403 -16.577 227 2HH1 ARG 29 1HH2 ARG 29 10.279 -1.985 -17.864 228 1HH2 ARG 29 2HH1 ARG 29 7.961 0.073 -19.538 229 2HH2 ARG 29 1HH1 ARG 29 9.571 -0.567 -19.560 230 H SER 30 H SER 30 9.153 -3.446 -13.894 231 HA SER 30 HA SER 30 8.107 -1.487 -12.037 232 1HB SER 30 2HB SER 30 10.444 -3.089 -12.105 233 2HB SER 30 1HB SER 30 11.010 -1.455 -12.391 234 HG SER 30 HG SER 30 10.459 -2.492 -10.044 235 H GLY 31 H GLY 31 7.253 0.185 -13.324 236 1HA GLY 31 2HA GLY 31 9.233 1.704 -14.863 237 2HA GLY 31 1HA GLY 31 7.777 1.172 -15.681 238 H ILE 32 H ILE 32 5.849 1.409 -13.594 239 HA ILE 32 HA ILE 32 5.230 4.117 -13.786 240 HB ILE 32 HB ILE 32 3.620 2.286 -13.497 241 1HG1 ILE 32 2HG1 ILE 32 3.414 4.383 -11.316 242 2HG1 ILE 32 1HG1 ILE 32 3.061 4.672 -13.008 243 1HG2 ILE 32 1HG2 ILE 32 3.796 0.785 -11.877 244 2HG2 ILE 32 2HG2 ILE 32 5.239 1.628 -11.262 245 3HG2 ILE 32 3HG2 ILE 32 3.625 2.057 -10.644 246 1HD1 ILE 32 1HD1 ILE 32 1.024 4.132 -11.604 247 2HD1 ILE 32 2HD1 ILE 32 1.249 3.043 -12.994 248 3HD1 ILE 32 3HD1 ILE 32 1.693 2.500 -11.359 249 H SER 33 H SER 33 4.858 5.614 -11.861 250 HA SER 33 HA SER 33 7.190 5.373 -10.128 251 1HB SER 33 2HB SER 33 5.988 7.630 -11.626 252 2HB SER 33 1HB SER 33 6.375 8.025 -9.963 253 HG SER 33 HG SER 33 8.135 7.145 -12.061 254 H ILE 34 H ILE 34 6.808 5.131 -7.947 255 HA ILE 34 HA ILE 34 4.402 6.256 -6.813 256 HB ILE 34 HB ILE 34 3.563 4.219 -5.904 257 1HG1 ILE 34 2HG1 ILE 34 5.309 2.386 -7.426 258 2HG1 ILE 34 1HG1 ILE 34 6.106 3.230 -6.114 259 1HG2 ILE 34 1HG2 ILE 34 2.737 3.133 -7.897 260 2HG2 ILE 34 2HG2 ILE 34 2.825 4.890 -8.168 261 3HG2 ILE 34 3HG2 ILE 34 4.064 3.818 -8.865 262 1HD1 ILE 34 1HD1 ILE 34 5.110 1.090 -5.340 263 2HD1 ILE 34 2HD1 ILE 34 4.351 2.480 -4.528 264 3HD1 ILE 34 3HD1 ILE 34 3.502 1.654 -5.857 265 H ASN 35 H ASN 35 4.476 6.202 -4.406 266 HA ASN 35 HA ASN 35 7.165 6.646 -3.600 267 1HB ASN 35 2HB ASN 35 4.889 6.560 -1.615 268 2HB ASN 35 1HB ASN 35 6.221 7.695 -1.711 269 1HD2 ASN 35 1HD2 ASN 35 3.168 6.697 -3.139 270 2HD2 ASN 35 2HD2 ASN 35 2.754 8.200 -3.893 271 H THR 36 H THR 36 7.262 4.046 -4.258 272 HA THR 36 HA THR 36 6.316 2.243 -2.281 273 HB THR 36 HB THR 36 6.879 1.807 -4.762 274 HG1 THR 36 1HG THR 36 7.038 -0.265 -3.969 275 1HG2 THR 36 1HG2 THR 36 9.087 1.598 -5.463 276 2HG2 THR 36 2HG2 THR 36 9.351 2.843 -4.218 277 3HG2 THR 36 3HG2 THR 36 9.657 1.129 -3.843 278 H ASP 37 H ASP 37 8.717 4.617 -2.139 279 HA ASP 37 HA ASP 37 10.882 3.596 -1.055 280 1HB ASP 37 2HB ASP 37 9.347 6.058 -0.725 281 2HB ASP 37 1HB ASP 37 10.127 5.643 0.789 282 H ASN 38 H ASN 38 7.890 4.433 0.867 283 HA ASN 38 HA ASN 38 8.775 2.453 2.817 284 1HB ASN 38 2HB ASN 38 7.096 3.815 4.335 285 2HB ASN 38 1HB ASN 38 8.681 4.493 4.019 286 1HD2 ASN 38 1HD2 ASN 38 5.616 5.313 4.312 287 2HD2 ASN 38 2HD2 ASN 38 5.460 6.626 3.192 288 H ALA 39 H ALA 39 7.586 1.089 0.954 289 HA ALA 39 HA ALA 39 4.730 0.990 1.651 290 1HB ALA 39 1HB ALA 39 6.111 0.605 -1.031 291 2HB ALA 39 2HB ALA 39 4.422 0.139 -0.715 292 3HB ALA 39 3HB ALA 39 4.912 1.846 -0.593 293 H ASP 40 H ASP 40 6.738 -1.176 -0.406 294 HA ASP 40 HA ASP 40 5.799 -3.486 0.448 295 1HB ASP 40 2HB ASP 40 7.437 -3.488 -1.292 296 2HB ASP 40 1HB ASP 40 8.625 -2.671 -0.296 297 H LEU 41 H LEU 41 5.970 -4.816 2.309 298 HA LEU 41 HA LEU 41 7.990 -4.104 4.287 299 1HB LEU 41 2HB LEU 41 5.163 -3.550 4.509 300 2HB LEU 41 1HB LEU 41 5.665 -4.681 5.749 301 HG LEU 41 HG LEU 41 7.245 -3.154 6.659 302 1HD1 LEU 41 1HD1 LEU 41 6.814 -1.537 4.144 303 2HD1 LEU 41 2HD1 LEU 41 7.571 -0.864 5.608 304 3HD1 LEU 41 3HD1 LEU 41 8.324 -2.242 4.770 305 1HD2 LEU 41 1HD2 LEU 41 5.326 -1.023 6.276 306 2HD2 LEU 41 2HD2 LEU 41 4.506 -2.585 6.517 307 3HD2 LEU 41 3HD2 LEU 41 5.676 -1.999 7.723 308 H ASN 42 H ASN 42 7.134 -6.298 2.189 309 HA ASN 42 HA ASN 42 7.712 -8.445 4.036 310 1HB ASN 42 2HB ASN 42 5.699 -8.980 1.838 311 2HB ASN 42 1HB ASN 42 5.904 -9.817 3.364 312 1HD2 ASN 42 1HD2 ASN 42 4.149 -9.603 4.516 313 2HD2 ASN 42 2HD2 ASN 42 3.252 -8.151 4.806 314 H GLU 43 H GLU 43 8.873 -6.690 1.675 315 HA GLU 43 HA GLU 43 10.244 -6.945 0.012 316 1HB GLU 43 2HB GLU 43 10.375 -9.752 1.147 317 2HB GLU 43 1HB GLU 43 11.266 -9.348 -0.307 318 1HG GLU 43 2HG GLU 43 12.432 -7.509 0.882 319 2HG GLU 43 1HG GLU 43 11.491 -7.819 2.329 320 H ASP 44 H ASP 44 7.671 -6.762 -0.792 321 HA ASP 44 HA ASP 44 7.522 -8.776 -2.896 322 1HB ASP 44 2HB ASP 44 5.030 -7.336 -2.058 323 2HB ASP 44 1HB ASP 44 5.219 -8.982 -2.628 324 H GLY 45 H GLY 45 7.028 -5.402 -1.762 325 1HA GLY 45 2HA GLY 45 7.873 -3.760 -3.445 326 2HA GLY 45 1HA GLY 45 6.767 -4.517 -4.573 327 H ARG 46 H ARG 46 4.400 -4.863 -3.371 328 HA ARG 46 HA ARG 46 3.804 -2.471 -1.883 329 1HB ARG 46 2HB ARG 46 2.560 -3.187 -4.577 330 2HB ARG 46 1HB ARG 46 1.761 -2.109 -3.449 331 1HG ARG 46 2HG ARG 46 2.994 -0.407 -4.298 332 2HG ARG 46 1HG ARG 46 4.414 -1.138 -3.576 333 1HD ARG 46 2HD ARG 46 3.363 -1.506 -6.410 334 2HD ARG 46 1HD ARG 46 4.927 -0.890 -5.914 335 HE ARG 46 HE ARG 46 5.624 -3.130 -5.339 336 1HH1 ARG 46 2HH2 ARG 46 2.387 -2.992 -6.713 337 2HH1 ARG 46 1HH2 ARG 46 2.335 -4.683 -7.086 338 1HH2 ARG 46 2HH1 ARG 46 5.555 -5.361 -5.831 339 2HH2 ARG 46 1HH1 ARG 46 4.148 -6.039 -6.581 340 H VAL 47 H VAL 47 1.510 -4.527 -3.742 341 HA VAL 47 HA VAL 47 0.874 -6.008 -1.308 342 HB VAL 47 HB VAL 47 -1.530 -5.595 -1.691 343 1HG1 VAL 47 1HG1 VAL 47 -1.605 -3.437 -0.635 344 2HG1 VAL 47 2HG1 VAL 47 -0.158 -4.288 -0.043 345 3HG1 VAL 47 3HG1 VAL 47 0.001 -3.009 -1.272 346 1HG2 VAL 47 1HG2 VAL 47 -0.644 -4.499 -4.138 347 2HG2 VAL 47 2HG2 VAL 47 -2.311 -4.577 -3.516 348 3HG2 VAL 47 3HG2 VAL 47 -1.307 -3.141 -3.197 349 H ASN 48 H ASN 48 1.483 -8.013 -2.026 350 HA ASN 48 HA ASN 48 1.064 -8.732 -4.732 351 1HB ASN 48 2HB ASN 48 2.369 -9.866 -2.326 352 2HB ASN 48 1HB ASN 48 1.580 -11.098 -3.290 353 1HD2 ASN 48 1HD2 ASN 48 3.314 -8.064 -3.997 354 2HD2 ASN 48 2HD2 ASN 48 4.449 -8.718 -5.131 355 H SER 49 H SER 49 -0.412 -9.393 -1.508 356 HA SER 49 HA SER 49 -2.926 -9.799 -2.474 357 1HB SER 49 2HB SER 49 -1.352 -12.054 -3.076 358 2HB SER 49 1HB SER 49 -2.240 -12.533 -1.643 359 HG SER 49 HG SER 49 -4.181 -11.567 -2.901 360 H THR 50 H THR 50 -0.400 -10.698 -0.100 361 HA THR 50 HA THR 50 -2.320 -11.014 2.034 362 HB THR 50 HB THR 50 0.722 -11.106 1.769 363 HG1 THR 50 1HG THR 50 0.199 -13.323 1.950 364 1HG2 THR 50 1HG2 THR 50 0.087 -10.271 4.078 365 2HG2 THR 50 2HG2 THR 50 -0.982 -11.684 4.249 366 3HG2 THR 50 3HG2 THR 50 0.777 -11.912 4.102 367 H ASP 51 H ASP 51 0.448 -8.743 1.416 368 HA ASP 51 HA ASP 51 0.086 -7.077 3.445 369 1HB ASP 51 2HB ASP 51 0.845 -6.641 0.558 370 2HB ASP 51 1HB ASP 51 0.617 -5.220 1.559 371 H LEU 52 H LEU 52 -1.570 -6.855 0.202 372 HA LEU 52 HA LEU 52 -3.082 -4.669 0.488 373 1HB LEU 52 2HB LEU 52 -3.716 -5.455 -1.466 374 2HB LEU 52 1HB LEU 52 -3.135 -7.059 -1.066 375 HG LEU 52 HG LEU 52 -5.377 -7.394 0.148 376 1HD1 LEU 52 1HD1 LEU 52 -6.196 -5.179 0.332 377 2HD1 LEU 52 2HD1 LEU 52 -5.984 -4.875 -1.408 378 3HD1 LEU 52 3HD1 LEU 52 -7.240 -6.005 -0.850 379 1HD2 LEU 52 1HD2 LEU 52 -6.340 -7.299 -2.514 380 2HD2 LEU 52 2HD2 LEU 52 -4.602 -7.672 -2.596 381 3HD2 LEU 52 3HD2 LEU 52 -5.686 -8.693 -1.620 382 H GLY 53 H GLY 53 -3.818 -7.920 1.893 383 1HA GLY 53 2HA GLY 53 -6.281 -7.301 3.025 384 2HA GLY 53 1HA GLY 53 -5.160 -8.525 3.589 385 H ILE 54 H ILE 54 -2.961 -7.183 4.517 386 HA ILE 54 HA ILE 54 -3.822 -6.227 6.980 387 HB ILE 54 HB ILE 54 -1.219 -6.208 5.492 388 1HG1 ILE 54 2HG1 ILE 54 -1.875 -8.335 6.372 389 2HG1 ILE 54 1HG1 ILE 54 -0.568 -7.715 7.360 390 1HG2 ILE 54 1HG2 ILE 54 -1.269 -4.113 6.772 391 2HG2 ILE 54 2HG2 ILE 54 -1.658 -5.027 8.249 392 3HG2 ILE 54 3HG2 ILE 54 -0.094 -5.272 7.437 393 1HD1 ILE 54 1HD1 ILE 54 -2.055 -8.400 9.019 394 2HD1 ILE 54 2HD1 ILE 54 -2.566 -6.705 8.821 395 3HD1 ILE 54 3HD1 ILE 54 -3.489 -8.011 8.039 396 H LEU 55 H LEU 55 -2.795 -4.509 3.975 397 HA LEU 55 HA LEU 55 -2.846 -1.945 5.024 398 1HB LEU 55 2HB LEU 55 -3.245 -3.073 2.266 399 2HB LEU 55 1HB LEU 55 -3.352 -1.350 2.569 400 HG LEU 55 HG LEU 55 -0.948 -2.152 3.789 401 1HD1 LEU 55 1HD1 LEU 55 -0.566 -4.152 2.772 402 2HD1 LEU 55 2HD1 LEU 55 -1.533 -3.740 1.335 403 3HD1 LEU 55 3HD1 LEU 55 0.105 -3.071 1.525 404 1HD2 LEU 55 1HD2 LEU 55 -0.228 -0.341 2.714 405 2HD2 LEU 55 2HD2 LEU 55 -0.605 -1.038 1.121 406 3HD2 LEU 55 3HD2 LEU 55 -1.871 -0.196 2.046 407 H LYS 56 H LYS 56 -5.448 -3.622 3.111 408 HA LYS 56 HA LYS 56 -7.360 -1.656 3.598 409 1HB LYS 56 2HB LYS 56 -8.923 -3.192 2.659 410 2HB LYS 56 1HB LYS 56 -7.411 -3.383 1.794 411 1HG LYS 56 2HG LYS 56 -7.061 -5.517 2.590 412 2HG LYS 56 1HG LYS 56 -7.683 -5.140 4.184 413 1HD LYS 56 2HD LYS 56 -9.823 -4.990 2.190 414 2HD LYS 56 1HD LYS 56 -9.021 -6.547 2.111 415 1HE LYS 56 2HE LYS 56 -9.447 -6.995 4.457 416 2HE LYS 56 1HE LYS 56 -9.940 -5.340 4.756 417 1HZ LYS 56 1HZ LYS 56 -11.975 -5.900 4.191 418 2HZ LYS 56 2HZ LYS 56 -11.503 -6.375 2.703 419 3HZ LYS 56 3HZ LYS 56 -11.520 -7.447 3.935 420 H ARG 57 H ARG 57 -5.819 -3.728 5.784 421 HA ARG 57 HA ARG 57 -8.149 -4.037 7.436 422 1HB ARG 57 2HB ARG 57 -5.530 -5.313 7.193 423 2HB ARG 57 1HB ARG 57 -5.801 -4.838 8.856 424 1HG ARG 57 2HG ARG 57 -8.274 -5.916 8.134 425 2HG ARG 57 1HG ARG 57 -7.150 -6.934 7.255 426 1HD ARG 57 2HD ARG 57 -5.965 -7.544 9.287 427 2HD ARG 57 1HD ARG 57 -6.787 -6.306 10.219 428 HE ARG 57 HE ARG 57 -8.624 -8.223 8.980 429 1HH1 ARG 57 2HH2 ARG 57 -6.607 -7.568 11.788 430 2HH1 ARG 57 1HH2 ARG 57 -7.500 -8.620 12.834 431 1HH2 ARG 57 2HH1 ARG 57 -9.803 -9.611 10.361 432 2HH2 ARG 57 1HH1 ARG 57 -9.330 -9.790 12.017 433 H TYR 58 H TYR 58 -4.853 -2.508 7.554 434 HA TYR 58 HA TYR 58 -5.556 -1.089 9.975 435 1HB TYR 58 2HB TYR 58 -3.207 -0.780 10.026 436 2HB TYR 58 1HB TYR 58 -3.265 -2.178 8.970 437 HD1 TYR 58 1HD TYR 58 -3.456 1.567 8.730 438 HD2 TYR 58 2HD TYR 58 -2.073 -2.084 6.981 439 HE1 TYR 58 1HE TYR 58 -2.262 2.882 6.912 440 HE2 TYR 58 2HE TYR 58 -0.883 -0.757 5.168 441 HH TYR 58 HH TYR 58 -0.702 2.746 5.325 442 H ILE 59 H ILE 59 -5.500 -0.581 6.481 443 HA ILE 59 HA ILE 59 -5.484 2.285 6.729 444 HB ILE 59 HB ILE 59 -5.446 2.334 4.403 445 1HG1 ILE 59 2HG1 ILE 59 -5.848 -0.296 3.466 446 2HG1 ILE 59 1HG1 ILE 59 -7.151 0.002 4.600 447 1HG2 ILE 59 1HG2 ILE 59 -3.956 0.010 4.048 448 2HG2 ILE 59 2HG2 ILE 59 -3.349 1.606 4.552 449 3HG2 ILE 59 3HG2 ILE 59 -3.778 0.390 5.778 450 1HD1 ILE 59 1HD1 ILE 59 -7.785 2.062 3.429 451 2HD1 ILE 59 2HD1 ILE 59 -6.379 1.914 2.348 452 3HD1 ILE 59 3HD1 ILE 59 -7.702 0.726 2.257 453 H LEU 60 H LEU 60 -7.767 -0.262 7.081 454 HA LEU 60 HA LEU 60 -10.052 0.734 5.957 455 1HB LEU 60 2HB LEU 60 -9.401 -1.394 7.478 456 2HB LEU 60 1HB LEU 60 -10.278 -0.446 8.664 457 HG LEU 60 HG LEU 60 -12.211 -0.334 7.066 458 1HD1 LEU 60 1HD1 LEU 60 -10.403 -1.155 5.172 459 2HD1 LEU 60 2HD1 LEU 60 -11.309 -2.651 5.507 460 3HD1 LEU 60 3HD1 LEU 60 -12.174 -1.181 4.997 461 1HD2 LEU 60 1HD2 LEU 60 -11.255 -3.032 8.048 462 2HD2 LEU 60 2HD2 LEU 60 -12.332 -1.880 8.873 463 3HD2 LEU 60 3HD2 LEU 60 -12.889 -2.730 7.411 464 H LYS 61 H LYS 61 -8.401 1.700 8.997 465 HA LYS 61 HA LYS 61 -9.368 4.289 8.904 466 1HB LYS 61 2HB LYS 61 -11.037 4.303 10.703 467 2HB LYS 61 1HB LYS 61 -11.582 3.388 9.312 468 1HG LYS 61 2HG LYS 61 -10.110 1.808 11.381 469 2HG LYS 61 1HG LYS 61 -11.660 2.447 11.890 470 1HD LYS 61 2HD LYS 61 -11.817 1.299 9.188 471 2HD LYS 61 1HD LYS 61 -11.217 0.125 10.342 472 1HE LYS 61 2HE LYS 61 -13.511 -0.190 10.613 473 2HE LYS 61 1HE LYS 61 -13.229 1.018 11.851 474 1HZ LYS 61 1HZ LYS 61 -13.826 2.702 10.195 475 2HZ LYS 61 2HZ LYS 61 -14.200 1.526 9.126 476 3HZ LYS 61 3HZ LYS 61 -15.054 1.672 10.511 477 H GLU 62 H GLU 62 -8.249 1.471 10.782 478 HA GLU 62 HA GLU 62 -7.305 2.790 12.983 479 1HB GLU 62 2HB GLU 62 -7.149 0.179 11.876 480 2HB GLU 62 1HB GLU 62 -5.489 0.653 12.178 481 1HG GLU 62 2HG GLU 62 -6.331 1.430 14.525 482 2HG GLU 62 1HG GLU 62 -7.783 0.516 14.172 483 H ILE 63 H ILE 63 -6.352 3.161 9.717 484 HA ILE 63 HA ILE 63 -3.882 3.402 9.250 485 HB ILE 63 HB ILE 63 -5.298 4.590 7.849 486 1HG1 ILE 63 2HG1 ILE 63 -4.207 6.688 7.481 487 2HG1 ILE 63 1HG1 ILE 63 -3.704 6.806 9.156 488 1HG2 ILE 63 1HG2 ILE 63 -7.139 5.304 8.987 489 2HG2 ILE 63 2HG2 ILE 63 -6.191 5.969 10.339 490 3HG2 ILE 63 3HG2 ILE 63 -6.294 6.860 8.802 491 1HD1 ILE 63 1HD1 ILE 63 -2.382 4.635 8.804 492 2HD1 ILE 63 2HD1 ILE 63 -2.728 4.814 7.068 493 3HD1 ILE 63 3HD1 ILE 63 -1.779 6.056 7.920 494 H ASP 64 H ASP 64 -2.114 3.460 10.529 495 HA ASP 64 HA ASP 64 -1.470 5.777 11.905 496 1HB ASP 64 2HB ASP 64 -1.633 5.119 14.210 497 2HB ASP 64 1HB ASP 64 -3.203 4.797 13.501 498 H THR 65 H THR 65 -1.213 2.201 11.575 499 HA THR 65 HA THR 65 1.521 2.306 10.907 500 HB THR 65 HB THR 65 1.618 2.759 13.421 501 HG1 THR 65 1HG THR 65 2.551 0.182 12.364 502 1HG2 THR 65 1HG2 THR 65 0.357 1.424 14.787 503 2HG2 THR 65 2HG2 THR 65 -0.078 0.361 13.428 504 3HG2 THR 65 3HG2 THR 65 1.428 0.078 14.333 505 H LEU 66 H LEU 66 2.401 0.167 10.399 506 HA LEU 66 HA LEU 66 0.263 -1.830 10.161 507 1HB LEU 66 2HB LEU 66 0.668 -0.590 8.038 508 2HB LEU 66 1HB LEU 66 2.321 -1.172 8.050 509 HG LEU 66 HG LEU 66 -0.075 -3.020 8.032 510 1HD1 LEU 66 1HD1 LEU 66 1.217 -3.026 5.506 511 2HD1 LEU 66 2HD1 LEU 66 -0.449 -2.536 5.902 512 3HD1 LEU 66 3HD1 LEU 66 0.862 -1.331 5.920 513 1HD2 LEU 66 1HD2 LEU 66 1.717 -4.569 7.025 514 2HD2 LEU 66 2HD2 LEU 66 2.892 -3.403 7.680 515 3HD2 LEU 66 3HD2 LEU 66 1.767 -4.243 8.774 516 HA PRO 67 HA PRO 67 3.911 -3.538 12.227 517 1HB PRO 67 2HB PRO 67 2.669 -4.450 14.484 518 2HB PRO 67 1HB PRO 67 3.469 -2.894 14.394 519 1HG PRO 67 2HG PRO 67 0.574 -3.494 14.382 520 2HG PRO 67 1HG PRO 67 1.378 -1.974 14.717 521 1HD PRO 67 2HD PRO 67 0.024 -2.701 12.295 522 2HD PRO 67 1HD PRO 67 0.928 -1.228 12.590 523 H TYR 68 H TYR 68 0.767 -4.713 11.491 524 HA TYR 68 HA TYR 68 0.852 -7.332 11.980 525 1HB TYR 68 2HB TYR 68 0.292 -6.082 9.223 526 2HB TYR 68 1HB TYR 68 -0.498 -7.499 9.888 527 HD1 TYR 68 1HD TYR 68 -0.428 -3.854 9.804 528 HD2 TYR 68 2HD TYR 68 -2.162 -7.260 11.727 529 HE1 TYR 68 1HE TYR 68 -2.279 -2.388 10.747 530 HE2 TYR 68 2HE TYR 68 -4.008 -5.783 12.663 531 HH TYR 68 HH TYR 68 -4.408 -3.517 13.181 532 H LYS 69 H LYS 69 1.870 -9.202 11.278 533 HA LYS 69 HA LYS 69 3.490 -9.170 8.926 534 1HB LYS 69 2HB LYS 69 5.631 -9.570 9.984 535 2HB LYS 69 1HB LYS 69 5.001 -8.013 10.482 536 1HG LYS 69 2HG LYS 69 4.823 -8.648 12.674 537 2HG LYS 69 1HG LYS 69 4.136 -10.208 12.266 538 1HD LYS 69 2HD LYS 69 6.911 -10.159 11.414 539 2HD LYS 69 1HD LYS 69 6.824 -9.625 13.081 540 1HE LYS 69 2HE LYS 69 5.533 -11.657 13.695 541 2HE LYS 69 1HE LYS 69 5.522 -12.180 12.023 542 1HZ LYS 69 1HZ LYS 69 8.138 -11.602 12.944 543 2HZ LYS 69 2HZ LYS 69 7.421 -12.758 13.848 544 3HZ LYS 69 3HZ LYS 69 7.566 -12.956 12.233 545 H ASN 70 H ASN 70 3.880 -11.275 8.178 546 HA ASN 70 HA ASN 70 3.800 -13.514 9.755 547 1HB ASN 70 2HB ASN 70 1.556 -14.466 9.150 548 2HB ASN 70 1HB ASN 70 1.405 -13.027 10.139 549 1HD2 ASN 70 1HD2 ASN 70 0.355 -11.296 9.406 550 2HD2 ASN 70 2HD2 ASN 70 -0.339 -11.121 7.828 551 H GLY 71 H GLY 71 3.580 -15.561 8.275 552 1HA GLY 71 2HA GLY 71 4.172 -16.669 6.413 553 2HA GLY 71 1HA GLY 71 3.337 -15.421 5.508 Start of MODEL 8 1 H MET 1 H MET 1 -3.685 20.624 7.527 2 HA MET 1 HA MET 1 -1.476 20.505 7.701 3 1HB MET 1 2HB MET 1 -2.790 18.888 9.875 4 2HB MET 1 1HB MET 1 -1.045 18.754 9.787 5 1HG MET 1 2HG MET 1 -0.844 21.248 9.897 6 2HG MET 1 1HG MET 1 -2.589 21.388 9.975 7 1HE MET 1 1HE MET 1 -1.898 22.313 13.537 8 2HE MET 1 2HE MET 1 -0.417 22.439 12.557 9 3HE MET 1 3HE MET 1 -1.995 22.860 11.847 10 H SER 2 H SER 2 -2.967 17.241 7.519 11 HA SER 2 HA SER 2 -2.317 15.378 6.616 12 1HB SER 2 2HB SER 2 -1.214 17.429 4.898 13 2HB SER 2 1HB SER 2 -0.099 16.079 4.938 14 HG SER 2 HG SER 2 -1.480 15.436 3.367 15 H THR 3 H THR 3 -1.358 13.990 8.062 16 HA THR 3 HA THR 3 1.474 13.818 8.183 17 HB THR 3 HB THR 3 -0.059 15.238 10.378 18 HG1 THR 3 1HG THR 3 1.366 16.364 8.882 19 1HG2 THR 3 1HG2 THR 3 2.300 14.753 11.612 20 2HG2 THR 3 2HG2 THR 3 0.888 13.700 11.867 21 3HG2 THR 3 3HG2 THR 3 2.161 13.221 10.718 22 H LYS 4 H LYS 4 0.258 11.844 7.238 23 HA LYS 4 HA LYS 4 0.612 9.738 8.937 24 1HB LYS 4 2HB LYS 4 -1.828 9.074 9.333 25 2HB LYS 4 1HB LYS 4 -1.138 10.301 10.377 26 1HG LYS 4 2HG LYS 4 -2.187 11.696 8.115 27 2HG LYS 4 1HG LYS 4 -3.403 10.514 8.556 28 1HD LYS 4 2HD LYS 4 -2.713 11.459 11.047 29 2HD LYS 4 1HD LYS 4 -2.427 12.892 10.080 30 1HE LYS 4 2HE LYS 4 -4.910 11.774 9.174 31 2HE LYS 4 1HE LYS 4 -4.961 11.755 10.925 32 1HZ LYS 4 1HZ LYS 4 -5.705 13.843 10.282 33 2HZ LYS 4 2HZ LYS 4 -4.171 14.116 10.773 34 3HZ LYS 4 3HZ LYS 4 -4.521 14.063 9.178 35 H LEU 5 H LEU 5 1.372 8.515 7.282 36 HA LEU 5 HA LEU 5 -0.413 7.368 5.470 37 1HB LEU 5 2HB LEU 5 -0.030 8.400 3.450 38 2HB LEU 5 1HB LEU 5 -0.223 9.742 4.560 39 HG LEU 5 HG LEU 5 2.409 8.676 3.501 40 1HD1 LEU 5 1HD1 LEU 5 2.344 10.198 1.861 41 2HD1 LEU 5 2HD1 LEU 5 0.589 10.220 2.164 42 3HD1 LEU 5 3HD1 LEU 5 1.638 11.451 2.911 43 1HD2 LEU 5 1HD2 LEU 5 2.916 11.152 4.588 44 2HD2 LEU 5 2HD2 LEU 5 1.779 10.437 5.756 45 3HD2 LEU 5 3HD2 LEU 5 3.286 9.584 5.344 46 H TYR 6 H TYR 6 0.452 5.427 4.880 47 HA TYR 6 HA TYR 6 3.368 5.210 4.849 48 1HB TYR 6 2HB TYR 6 2.200 4.555 7.104 49 2HB TYR 6 1HB TYR 6 1.391 3.283 6.212 50 HD1 TYR 6 1HD TYR 6 4.901 4.566 6.639 51 HD2 TYR 6 2HD TYR 6 2.313 1.169 6.395 52 HE1 TYR 6 1HE TYR 6 6.881 3.021 7.038 53 HE2 TYR 6 2HE TYR 6 4.300 -0.365 6.795 54 HH TYR 6 HH TYR 6 6.469 -0.277 7.784 55 H GLY 7 H GLY 7 3.799 4.566 2.794 56 1HA GLY 7 2HA GLY 7 3.889 3.032 1.101 57 2HA GLY 7 1HA GLY 7 2.575 2.128 1.827 58 H ASP 8 H ASP 8 2.829 5.606 0.803 59 HA ASP 8 HA ASP 8 0.265 5.347 -0.435 60 1HB ASP 8 2HB ASP 8 1.609 7.411 0.820 61 2HB ASP 8 1HB ASP 8 1.877 7.822 -0.863 62 H VAL 9 H VAL 9 0.038 4.820 -2.616 63 HA VAL 9 HA VAL 9 2.359 4.536 -4.241 64 HB VAL 9 HB VAL 9 -0.594 4.115 -4.547 65 1HG1 VAL 9 1HG1 VAL 9 0.463 3.119 -6.897 66 2HG1 VAL 9 2HG1 VAL 9 -0.480 4.620 -6.733 67 3HG1 VAL 9 3HG1 VAL 9 1.300 4.680 -6.719 68 1HG2 VAL 9 1HG2 VAL 9 1.665 2.520 -3.848 69 2HG2 VAL 9 2HG2 VAL 9 -0.041 2.030 -3.991 70 3HG2 VAL 9 3HG2 VAL 9 1.038 1.926 -5.405 71 H ASN 10 H ASN 10 -0.651 6.559 -4.568 72 HA ASN 10 HA ASN 10 0.929 8.324 -6.244 73 1HB ASN 10 2HB ASN 10 -1.471 9.333 -6.658 74 2HB ASN 10 1HB ASN 10 -1.079 7.791 -7.394 75 1HD2 ASN 10 1HD2 ASN 10 -3.363 7.461 -7.470 76 2HD2 ASN 10 2HD2 ASN 10 -4.226 6.857 -6.096 77 H ASP 11 H ASP 11 1.164 8.201 -3.267 78 HA ASP 11 HA ASP 11 1.097 9.436 -1.477 79 1HB ASP 11 2HB ASP 11 1.309 11.503 -3.683 80 2HB ASP 11 1HB ASP 11 1.193 12.041 -2.019 81 H ASP 12 H ASP 12 -1.468 8.526 -2.103 82 HA ASP 12 HA ASP 12 -3.180 10.859 -1.945 83 1HB ASP 12 2HB ASP 12 -4.018 9.383 -3.585 84 2HB ASP 12 1HB ASP 12 -3.561 7.953 -2.679 85 H GLY 13 H GLY 13 -2.700 7.561 -0.459 86 1HA GLY 13 2HA GLY 13 -3.096 8.623 2.198 87 2HA GLY 13 1HA GLY 13 -4.406 7.606 1.634 88 H LYS 14 H LYS 14 -3.081 5.674 0.077 89 HA LYS 14 HA LYS 14 -0.785 4.636 1.297 90 1HB LYS 14 2HB LYS 14 -2.020 2.593 2.317 91 2HB LYS 14 1HB LYS 14 -1.876 4.069 3.251 92 1HG LYS 14 2HG LYS 14 -4.255 4.255 1.606 93 2HG LYS 14 1HG LYS 14 -4.278 2.714 2.441 94 1HD LYS 14 2HD LYS 14 -4.166 3.743 4.600 95 2HD LYS 14 1HD LYS 14 -3.618 5.273 3.942 96 1HE LYS 14 2HE LYS 14 -5.868 5.489 2.758 97 2HE LYS 14 1HE LYS 14 -6.397 4.049 3.605 98 1HZ LYS 14 1HZ LYS 14 -6.979 6.129 4.722 99 2HZ LYS 14 2HZ LYS 14 -6.073 5.153 5.667 100 3HZ LYS 14 3HZ LYS 14 -5.397 6.458 4.956 101 H VAL 15 H VAL 15 -0.866 2.002 0.718 102 HA VAL 15 HA VAL 15 -1.626 2.033 -2.112 103 HB VAL 15 HB VAL 15 0.737 1.790 -1.692 104 1HG1 VAL 15 1HG1 VAL 15 -0.144 0.142 0.500 105 2HG1 VAL 15 2HG1 VAL 15 0.978 -0.781 -0.528 106 3HG1 VAL 15 3HG1 VAL 15 1.479 0.785 0.154 107 1HG2 VAL 15 1HG2 VAL 15 -0.794 0.125 -3.278 108 2HG2 VAL 15 2HG2 VAL 15 0.978 0.289 -3.346 109 3HG2 VAL 15 3HG2 VAL 15 0.241 -1.019 -2.390 110 H ASN 16 H ASN 16 -3.680 1.231 -2.290 111 HA ASN 16 HA ASN 16 -4.031 -1.445 -1.274 112 1HB ASN 16 2HB ASN 16 -6.492 0.159 -0.951 113 2HB ASN 16 1HB ASN 16 -5.749 -0.957 0.178 114 1HD2 ASN 16 1HD2 ASN 16 -6.394 2.250 -0.572 115 2HD2 ASN 16 2HD2 ASN 16 -5.387 3.047 0.590 116 H SER 17 H SER 17 -6.864 -1.575 -1.970 117 HA SER 17 HA SER 17 -6.687 -2.028 -4.670 118 1HB SER 17 2HB SER 17 -8.397 -3.172 -3.502 119 2HB SER 17 1HB SER 17 -8.994 -1.713 -2.739 120 HG SER 17 HG SER 17 -10.287 -1.348 -4.409 121 H THR 18 H THR 18 -7.033 0.943 -2.925 122 HA THR 18 HA THR 18 -8.528 2.374 -4.891 123 HB THR 18 HB THR 18 -6.783 3.175 -2.507 124 HG1 THR 18 1HG THR 18 -9.627 2.908 -3.176 125 1HG2 THR 18 1HG2 THR 18 -7.461 5.395 -2.762 126 2HG2 THR 18 2HG2 THR 18 -7.362 4.945 -4.481 127 3HG2 THR 18 3HG2 THR 18 -8.936 4.946 -3.651 128 H ASP 19 H ASP 19 -5.016 2.107 -4.072 129 HA ASP 19 HA ASP 19 -4.453 3.674 -6.421 130 1HB ASP 19 2HB ASP 19 -2.771 2.525 -4.162 131 2HB ASP 19 1HB ASP 19 -2.013 3.206 -5.588 132 H ALA 20 H ALA 20 -5.618 0.828 -6.425 133 HA ALA 20 HA ALA 20 -3.655 -1.034 -7.078 134 1HB ALA 20 1HB ALA 20 -5.580 -2.238 -8.145 135 2HB ALA 20 2HB ALA 20 -5.934 -1.661 -6.499 136 3HB ALA 20 3HB ALA 20 -6.573 -0.780 -7.908 137 H VAL 21 H VAL 21 -5.331 1.488 -8.993 138 HA VAL 21 HA VAL 21 -4.794 0.702 -11.529 139 HB VAL 21 HB VAL 21 -4.608 3.171 -12.006 140 1HG1 VAL 21 1HG1 VAL 21 -6.990 3.536 -10.774 141 2HG1 VAL 21 2HG1 VAL 21 -6.781 2.566 -12.252 142 3HG1 VAL 21 3HG1 VAL 21 -6.853 1.764 -10.665 143 1HG2 VAL 21 1HG2 VAL 21 -5.444 4.456 -9.794 144 2HG2 VAL 21 2HG2 VAL 21 -4.425 3.210 -9.035 145 3HG2 VAL 21 3HG2 VAL 21 -3.728 4.314 -10.246 146 H ALA 22 H ALA 22 -2.585 2.714 -9.452 147 HA ALA 22 HA ALA 22 -0.449 2.485 -11.296 148 1HB ALA 22 1HB ALA 22 -0.887 3.545 -8.521 149 2HB ALA 22 2HB ALA 22 0.785 3.271 -9.065 150 3HB ALA 22 3HB ALA 22 -0.278 4.374 -9.973 151 H LEU 23 H LEU 23 -1.783 0.435 -8.792 152 HA LEU 23 HA LEU 23 0.585 -0.953 -8.144 153 1HB LEU 23 2HB LEU 23 -1.660 -0.802 -6.905 154 2HB LEU 23 1HB LEU 23 -2.207 -2.062 -7.993 155 HG LEU 23 HG LEU 23 0.129 -3.152 -7.085 156 1HD1 LEU 23 1HD1 LEU 23 -0.925 -2.259 -4.485 157 2HD1 LEU 23 2HD1 LEU 23 0.751 -2.506 -5.030 158 3HD1 LEU 23 3HD1 LEU 23 -0.100 -0.995 -5.430 159 1HD2 LEU 23 1HD2 LEU 23 -1.222 -4.785 -6.343 160 2HD2 LEU 23 2HD2 LEU 23 -2.184 -3.679 -5.333 161 3HD2 LEU 23 3HD2 LEU 23 -2.512 -3.803 -7.078 162 H LYS 24 H LYS 24 -2.217 -1.854 -10.283 163 HA LYS 24 HA LYS 24 -1.212 -4.167 -11.285 164 1HB LYS 24 2HB LYS 24 -3.468 -2.928 -11.673 165 2HB LYS 24 1HB LYS 24 -2.666 -2.209 -13.054 166 1HG LYS 24 2HG LYS 24 -2.084 -5.042 -13.055 167 2HG LYS 24 1HG LYS 24 -3.811 -4.843 -12.833 168 1HD LYS 24 2HD LYS 24 -3.696 -3.149 -14.812 169 2HD LYS 24 1HD LYS 24 -2.094 -3.789 -15.115 170 1HE LYS 24 2HE LYS 24 -3.246 -5.283 -16.435 171 2HE LYS 24 1HE LYS 24 -3.445 -6.142 -14.920 172 1HZ LYS 24 1HZ LYS 24 -5.517 -4.768 -14.657 173 2HZ LYS 24 2HZ LYS 24 -5.362 -4.362 -16.232 174 3HZ LYS 24 3HZ LYS 24 -5.560 -5.926 -15.806 175 H ARG 25 H ARG 25 -0.453 -0.794 -12.306 176 HA ARG 25 HA ARG 25 1.053 -1.501 -14.500 177 1HB ARG 25 2HB ARG 25 0.744 0.901 -12.746 178 2HB ARG 25 1HB ARG 25 2.257 0.832 -13.628 179 1HG ARG 25 2HG ARG 25 1.200 1.503 -15.516 180 2HG ARG 25 1HG ARG 25 0.189 0.073 -15.470 181 1HD ARG 25 2HD ARG 25 -0.829 1.854 -13.463 182 2HD ARG 25 1HD ARG 25 -0.538 2.826 -14.891 183 HE ARG 25 HE ARG 25 -1.892 0.298 -15.486 184 1HH1 ARG 25 2HH2 ARG 25 -2.350 3.648 -14.511 185 2HH1 ARG 25 1HH2 ARG 25 -3.987 3.722 -15.075 186 1HH2 ARG 25 2HH1 ARG 25 -4.051 0.395 -16.230 187 2HH2 ARG 25 1HH1 ARG 25 -4.960 1.858 -16.059 188 H TYR 26 H TYR 26 1.781 -1.408 -11.013 189 HA TYR 26 HA TYR 26 4.624 -1.696 -11.446 190 1HB TYR 26 2HB TYR 26 3.336 -0.439 -9.545 191 2HB TYR 26 1HB TYR 26 2.857 -2.014 -8.943 192 HD1 TYR 26 1HD TYR 26 4.971 -3.710 -8.667 193 HD2 TYR 26 2HD TYR 26 5.152 0.562 -8.515 194 HE1 TYR 26 1HE TYR 26 7.123 -3.842 -7.320 195 HE2 TYR 26 2HE TYR 26 7.303 0.416 -7.169 196 HH TYR 26 HH TYR 26 8.711 -0.880 -6.167 197 H VAL 27 H VAL 27 1.767 -3.702 -10.668 198 HA VAL 27 HA VAL 27 3.129 -5.945 -9.738 199 HB VAL 27 HB VAL 27 0.487 -5.594 -11.160 200 1HG1 VAL 27 1HG1 VAL 27 -0.124 -7.819 -10.518 201 2HG1 VAL 27 2HG1 VAL 27 1.428 -7.923 -11.382 202 3HG1 VAL 27 3HG1 VAL 27 1.389 -8.038 -9.607 203 1HG2 VAL 27 1HG2 VAL 27 1.118 -6.030 -8.222 204 2HG2 VAL 27 2HG2 VAL 27 0.745 -4.457 -8.966 205 3HG2 VAL 27 3HG2 VAL 27 -0.484 -5.744 -8.940 206 H LEU 28 H LEU 28 2.149 -4.932 -13.068 207 HA LEU 28 HA LEU 28 3.101 -7.269 -14.304 208 1HB LEU 28 2HB LEU 28 1.859 -4.790 -15.034 209 2HB LEU 28 1HB LEU 28 3.214 -5.088 -16.105 210 HG LEU 28 HG LEU 28 1.126 -7.202 -15.570 211 1HD1 LEU 28 1HD1 LEU 28 0.619 -6.057 -18.092 212 2HD1 LEU 28 2HD1 LEU 28 -0.414 -6.022 -16.642 213 3HD1 LEU 28 3HD1 LEU 28 0.740 -4.702 -16.945 214 1HD2 LEU 28 1HD2 LEU 28 2.928 -6.789 -17.967 215 2HD2 LEU 28 2HD2 LEU 28 3.320 -7.844 -16.587 216 3HD2 LEU 28 3HD2 LEU 28 1.900 -8.196 -17.602 217 H ARG 29 H ARG 29 4.552 -3.977 -13.846 218 HA ARG 29 HA ARG 29 7.111 -5.225 -13.738 219 1HB ARG 29 2HB ARG 29 8.123 -4.046 -15.595 220 2HB ARG 29 1HB ARG 29 6.673 -4.803 -16.223 221 1HG ARG 29 2HG ARG 29 6.668 -1.934 -15.195 222 2HG ARG 29 1HG ARG 29 7.086 -2.319 -16.853 223 1HD ARG 29 2HD ARG 29 4.612 -3.686 -16.026 224 2HD ARG 29 1HD ARG 29 4.483 -1.950 -15.822 225 HE ARG 29 HE ARG 29 4.487 -3.349 -18.325 226 1HH1 ARG 29 2HH2 ARG 29 5.794 -0.433 -16.849 227 2HH1 ARG 29 1HH2 ARG 29 5.875 0.440 -18.342 228 1HH2 ARG 29 2HH1 ARG 29 4.595 -2.196 -20.296 229 2HH2 ARG 29 1HH1 ARG 29 5.189 -0.570 -20.316 230 H SER 30 H SER 30 8.733 -3.786 -12.783 231 HA SER 30 HA SER 30 7.500 -1.739 -11.229 232 1HB SER 30 2HB SER 30 9.288 -3.406 -10.428 233 2HB SER 30 1HB SER 30 10.455 -2.468 -11.338 234 HG SER 30 HG SER 30 8.852 -1.608 -9.094 235 H GLY 31 H GLY 31 6.943 -0.447 -13.272 236 1HA GLY 31 2HA GLY 31 9.274 1.143 -14.163 237 2HA GLY 31 1HA GLY 31 7.871 0.784 -15.150 238 H ILE 32 H ILE 32 5.841 1.142 -13.062 239 HA ILE 32 HA ILE 32 5.403 3.878 -13.349 240 HB ILE 32 HB ILE 32 3.719 2.058 -12.999 241 1HG1 ILE 32 2HG1 ILE 32 3.465 4.450 -11.153 242 2HG1 ILE 32 1HG1 ILE 32 3.219 4.500 -12.888 243 1HG2 ILE 32 1HG2 ILE 32 3.165 1.312 -10.795 244 2HG2 ILE 32 2HG2 ILE 32 4.898 1.003 -11.062 245 3HG2 ILE 32 3HG2 ILE 32 4.384 2.384 -10.063 246 1HD1 ILE 32 1HD1 ILE 32 1.084 4.232 -11.565 247 2HD1 ILE 32 2HD1 ILE 32 1.356 2.927 -12.744 248 3HD1 ILE 32 3HD1 ILE 32 1.678 2.645 -11.016 249 H SER 33 H SER 33 5.100 5.459 -11.484 250 HA SER 33 HA SER 33 7.411 5.156 -9.741 251 1HB SER 33 2HB SER 33 6.431 7.330 -11.367 252 2HB SER 33 1HB SER 33 6.370 7.838 -9.691 253 HG SER 33 HG SER 33 8.438 8.337 -10.468 254 H ILE 34 H ILE 34 6.984 4.721 -7.610 255 HA ILE 34 HA ILE 34 4.717 5.989 -6.354 256 HB ILE 34 HB ILE 34 3.735 3.943 -5.535 257 1HG1 ILE 34 2HG1 ILE 34 5.276 2.216 -7.417 258 2HG1 ILE 34 1HG1 ILE 34 6.088 2.718 -5.947 259 1HG2 ILE 34 1HG2 ILE 34 3.947 3.738 -8.545 260 2HG2 ILE 34 2HG2 ILE 34 2.580 3.285 -7.499 261 3HG2 ILE 34 3HG2 ILE 34 3.010 4.999 -7.712 262 1HD1 ILE 34 1HD1 ILE 34 5.012 0.980 -4.949 263 2HD1 ILE 34 2HD1 ILE 34 3.557 2.003 -5.014 264 3HD1 ILE 34 3HD1 ILE 34 3.866 0.811 -6.300 265 H ASN 35 H ASN 35 4.728 5.293 -3.898 266 HA ASN 35 HA ASN 35 7.422 5.729 -3.076 267 1HB ASN 35 2HB ASN 35 6.488 6.290 -0.965 268 2HB ASN 35 1HB ASN 35 5.204 6.737 -2.071 269 1HD2 ASN 35 1HD2 ASN 35 4.506 4.000 -2.740 270 2HD2 ASN 35 2HD2 ASN 35 3.644 3.333 -1.395 271 H THR 36 H THR 36 7.130 3.189 -4.344 272 HA THR 36 HA THR 36 6.413 0.996 -2.980 273 HB THR 36 HB THR 36 7.391 0.855 -5.194 274 HG1 THR 36 1HG THR 36 9.364 -0.143 -3.272 275 1HG2 THR 36 1HG2 THR 36 9.010 2.717 -5.141 276 2HG2 THR 36 2HG2 THR 36 9.936 1.910 -3.852 277 3HG2 THR 36 3HG2 THR 36 9.887 1.207 -5.486 278 H ASP 37 H ASP 37 9.025 3.211 -2.090 279 HA ASP 37 HA ASP 37 10.468 1.564 -0.468 280 1HB ASP 37 2HB ASP 37 9.895 4.501 -0.604 281 2HB ASP 37 1HB ASP 37 10.561 3.932 0.915 282 H ASN 38 H ASN 38 7.990 4.015 0.625 283 HA ASN 38 HA ASN 38 7.728 2.742 3.124 284 1HB ASN 38 2HB ASN 38 7.217 5.266 2.225 285 2HB ASN 38 1HB ASN 38 5.593 4.617 2.109 286 1HD2 ASN 38 1HD2 ASN 38 5.295 6.348 3.740 287 2HD2 ASN 38 2HD2 ASN 38 5.485 5.954 5.417 288 H ALA 39 H ALA 39 6.677 1.911 0.041 289 HA ALA 39 HA ALA 39 4.000 1.088 0.755 290 1HB ALA 39 1HB ALA 39 5.136 0.085 -1.764 291 2HB ALA 39 2HB ALA 39 3.685 1.075 -1.482 292 3HB ALA 39 3HB ALA 39 5.283 1.851 -1.591 293 H ASP 40 H ASP 40 6.894 -0.633 -0.630 294 HA ASP 40 HA ASP 40 5.972 -3.132 0.021 295 1HB ASP 40 2HB ASP 40 7.866 -2.616 -1.540 296 2HB ASP 40 1HB ASP 40 8.859 -2.148 -0.174 297 H LEU 41 H LEU 41 6.514 -4.575 1.824 298 HA LEU 41 HA LEU 41 7.996 -3.425 4.033 299 1HB LEU 41 2HB LEU 41 5.158 -4.387 4.404 300 2HB LEU 41 1HB LEU 41 6.242 -3.792 5.646 301 HG LEU 41 HG LEU 41 5.468 -2.028 3.331 302 1HD1 LEU 41 1HD1 LEU 41 3.318 -2.502 3.985 303 2HD1 LEU 41 2HD1 LEU 41 3.778 -2.816 5.675 304 3HD1 LEU 41 3HD1 LEU 41 3.706 -1.144 5.067 305 1HD2 LEU 41 1HD2 LEU 41 5.843 -0.242 5.010 306 2HD2 LEU 41 2HD2 LEU 41 6.339 -1.488 6.182 307 3HD2 LEU 41 3HD2 LEU 41 7.288 -1.234 4.697 308 H ASN 42 H ASN 42 5.977 -6.174 2.808 309 HA ASN 42 HA ASN 42 7.421 -8.006 4.421 310 1HB ASN 42 2HB ASN 42 6.064 -9.724 3.219 311 2HB ASN 42 1HB ASN 42 5.049 -8.414 3.789 312 1HD2 ASN 42 1HD2 ASN 42 4.350 -10.167 1.739 313 2HD2 ASN 42 2HD2 ASN 42 4.208 -9.302 0.246 314 H GLU 43 H GLU 43 8.278 -6.230 1.745 315 HA GLU 43 HA GLU 43 10.036 -6.367 0.440 316 1HB GLU 43 2HB GLU 43 10.587 -8.492 2.191 317 2HB GLU 43 1HB GLU 43 10.700 -9.230 0.606 318 1HG GLU 43 2HG GLU 43 12.143 -7.124 -0.033 319 2HG GLU 43 1HG GLU 43 12.281 -6.876 1.697 320 H ASP 44 H ASP 44 7.381 -6.656 -0.461 321 HA ASP 44 HA ASP 44 7.693 -8.653 -2.561 322 1HB ASP 44 2HB ASP 44 5.354 -8.929 -2.596 323 2HB ASP 44 1HB ASP 44 5.682 -8.709 -0.890 324 H GLY 45 H GLY 45 6.919 -5.271 -1.658 325 1HA GLY 45 2HA GLY 45 7.869 -3.733 -3.444 326 2HA GLY 45 1HA GLY 45 6.732 -4.532 -4.511 327 H ARG 46 H ARG 46 4.384 -4.778 -3.235 328 HA ARG 46 HA ARG 46 3.846 -2.324 -1.842 329 1HB ARG 46 2HB ARG 46 2.609 -3.058 -4.534 330 2HB ARG 46 1HB ARG 46 1.810 -1.955 -3.430 331 1HG ARG 46 2HG ARG 46 3.035 -0.358 -4.530 332 2HG ARG 46 1HG ARG 46 4.310 -0.849 -3.433 333 1HD ARG 46 2HD ARG 46 4.992 -0.784 -5.888 334 2HD ARG 46 1HD ARG 46 5.311 -2.309 -5.085 335 HE ARG 46 HE ARG 46 3.113 -1.791 -7.037 336 1HH1 ARG 46 2HH2 ARG 46 4.922 -4.056 -5.041 337 2HH1 ARG 46 1HH2 ARG 46 4.278 -5.460 -5.828 338 1HH2 ARG 46 2HH1 ARG 46 2.263 -3.641 -8.073 339 2HH2 ARG 46 1HH1 ARG 46 2.755 -5.222 -7.563 340 H VAL 47 H VAL 47 1.692 -4.587 -3.687 341 HA VAL 47 HA VAL 47 0.972 -5.961 -1.250 342 HB VAL 47 HB VAL 47 -1.358 -5.419 -1.358 343 1HG1 VAL 47 1HG1 VAL 47 0.199 -2.818 -1.502 344 2HG1 VAL 47 2HG1 VAL 47 -1.319 -3.124 -0.626 345 3HG1 VAL 47 3HG1 VAL 47 0.188 -3.907 -0.095 346 1HG2 VAL 47 1HG2 VAL 47 -1.814 -3.316 -3.009 347 2HG2 VAL 47 2HG2 VAL 47 -0.613 -4.217 -3.965 348 3HG2 VAL 47 3HG2 VAL 47 -2.120 -5.012 -3.453 349 H ASN 48 H ASN 48 2.091 -7.629 -2.547 350 HA ASN 48 HA ASN 48 1.212 -8.338 -5.065 351 1HB ASN 48 2HB ASN 48 2.482 -10.386 -4.723 352 2HB ASN 48 1HB ASN 48 3.345 -9.111 -3.886 353 1HD2 ASN 48 1HD2 ASN 48 3.214 -8.932 -1.626 354 2HD2 ASN 48 2HD2 ASN 48 2.794 -10.276 -0.617 355 H SER 49 H SER 49 0.030 -9.000 -1.774 356 HA SER 49 HA SER 49 -2.469 -9.582 -2.321 357 1HB SER 49 2HB SER 49 -0.785 -11.896 -3.114 358 2HB SER 49 1HB SER 49 -2.127 -12.321 -2.071 359 HG SER 49 HG SER 49 -3.322 -10.760 -3.736 360 H THR 50 H THR 50 0.473 -10.371 -0.544 361 HA THR 50 HA THR 50 -0.940 -11.353 1.776 362 HB THR 50 HB THR 50 1.978 -10.726 1.101 363 HG1 THR 50 1HG THR 50 1.919 -13.129 1.240 364 1HG2 THR 50 1HG2 THR 50 2.377 -10.797 3.359 365 2HG2 THR 50 2HG2 THR 50 0.687 -11.233 3.709 366 3HG2 THR 50 3HG2 THR 50 1.863 -12.499 3.284 367 H ASP 51 H ASP 51 0.760 -8.342 0.756 368 HA ASP 51 HA ASP 51 0.276 -7.146 3.277 369 1HB ASP 51 2HB ASP 51 0.883 -5.637 0.711 370 2HB ASP 51 1HB ASP 51 1.342 -5.213 2.348 371 H LEU 52 H LEU 52 -1.270 -7.339 0.063 372 HA LEU 52 HA LEU 52 -2.863 -5.183 -0.068 373 1HB LEU 52 2HB LEU 52 -3.417 -6.372 -1.838 374 2HB LEU 52 1HB LEU 52 -2.848 -7.858 -1.102 375 HG LEU 52 HG LEU 52 -5.034 -8.161 -0.001 376 1HD1 LEU 52 1HD1 LEU 52 -6.725 -6.432 -1.430 377 2HD1 LEU 52 2HD1 LEU 52 -6.366 -6.414 0.313 378 3HD1 LEU 52 3HD1 LEU 52 -5.408 -5.413 -0.803 379 1HD2 LEU 52 1HD2 LEU 52 -4.375 -8.672 -2.601 380 2HD2 LEU 52 2HD2 LEU 52 -5.846 -9.253 -1.783 381 3HD2 LEU 52 3HD2 LEU 52 -5.907 -7.784 -2.787 382 H GLY 53 H GLY 53 -3.589 -8.193 1.827 383 1HA GLY 53 2HA GLY 53 -6.019 -7.360 2.892 384 2HA GLY 53 1HA GLY 53 -4.925 -8.530 3.602 385 H ILE 54 H ILE 54 -2.875 -7.504 4.711 386 HA ILE 54 HA ILE 54 -3.585 -6.135 6.899 387 HB ILE 54 HB ILE 54 -1.215 -6.972 5.687 388 1HG1 ILE 54 2HG1 ILE 54 -1.891 -7.457 7.968 389 2HG1 ILE 54 1HG1 ILE 54 -0.291 -6.743 7.945 390 1HG2 ILE 54 1HG2 ILE 54 0.361 -5.152 6.102 391 2HG2 ILE 54 2HG2 ILE 54 -0.831 -4.703 4.858 392 3HG2 ILE 54 3HG2 ILE 54 -0.988 -4.064 6.512 393 1HD1 ILE 54 1HD1 ILE 54 -1.058 -4.661 8.783 394 2HD1 ILE 54 2HD1 ILE 54 -2.743 -4.993 8.315 395 3HD1 ILE 54 3HD1 ILE 54 -2.016 -5.853 9.694 396 H LEU 55 H LEU 55 -2.633 -4.699 3.725 397 HA LEU 55 HA LEU 55 -2.681 -2.049 4.533 398 1HB LEU 55 2HB LEU 55 -2.705 -3.567 2.032 399 2HB LEU 55 1HB LEU 55 -3.529 -2.025 1.911 400 HG LEU 55 HG LEU 55 -1.124 -1.971 1.261 401 1HD1 LEU 55 1HD1 LEU 55 -2.033 -0.227 3.560 402 2HD1 LEU 55 2HD1 LEU 55 -0.561 0.079 2.607 403 3HD1 LEU 55 3HD1 LEU 55 -2.156 0.101 1.815 404 1HD2 LEU 55 1HD2 LEU 55 -0.361 -2.097 4.158 405 2HD2 LEU 55 2HD2 LEU 55 -0.542 -3.601 3.224 406 3HD2 LEU 55 3HD2 LEU 55 0.627 -2.365 2.703 407 H LYS 56 H LYS 56 -5.309 -3.906 2.833 408 HA LYS 56 HA LYS 56 -7.213 -1.881 3.300 409 1HB LYS 56 2HB LYS 56 -8.736 -3.310 2.237 410 2HB LYS 56 1HB LYS 56 -7.197 -3.661 1.476 411 1HG LYS 56 2HG LYS 56 -7.337 -5.832 2.109 412 2HG LYS 56 1HG LYS 56 -7.435 -5.363 3.795 413 1HD LYS 56 2HD LYS 56 -9.874 -5.095 3.641 414 2HD LYS 56 1HD LYS 56 -9.836 -5.359 1.909 415 1HE LYS 56 2HE LYS 56 -8.575 -7.642 2.742 416 2HE LYS 56 1HE LYS 56 -9.589 -7.345 4.140 417 1HZ LYS 56 1HZ LYS 56 -11.181 -8.270 2.947 418 2HZ LYS 56 2HZ LYS 56 -11.227 -6.919 2.032 419 3HZ LYS 56 3HZ LYS 56 -10.337 -8.200 1.551 420 H ARG 57 H ARG 57 -5.620 -3.841 5.478 421 HA ARG 57 HA ARG 57 -7.936 -4.357 7.095 422 1HB ARG 57 2HB ARG 57 -5.547 -5.695 6.769 423 2HB ARG 57 1HB ARG 57 -5.197 -4.787 8.226 424 1HG ARG 57 2HG ARG 57 -7.848 -6.214 8.078 425 2HG ARG 57 1HG ARG 57 -6.414 -7.195 8.300 426 1HD ARG 57 2HD ARG 57 -6.355 -6.639 10.499 427 2HD ARG 57 1HD ARG 57 -6.182 -4.945 10.083 428 HE ARG 57 HE ARG 57 -8.906 -5.506 9.716 429 1HH1 ARG 57 2HH2 ARG 57 -6.619 -5.672 12.385 430 2HH1 ARG 57 1HH2 ARG 57 -7.821 -5.387 13.599 431 1HH2 ARG 57 2HH1 ARG 57 -10.492 -5.130 11.318 432 2HH2 ARG 57 1HH1 ARG 57 -10.039 -5.078 12.989 433 H TYR 58 H TYR 58 -4.863 -2.433 7.179 434 HA TYR 58 HA TYR 58 -5.753 -1.088 9.597 435 1HB TYR 58 2HB TYR 58 -3.445 -0.674 9.762 436 2HB TYR 58 1HB TYR 58 -3.329 -1.961 8.578 437 HD1 TYR 58 1HD TYR 58 -3.986 1.742 8.603 438 HD2 TYR 58 2HD TYR 58 -1.985 -1.549 6.741 439 HE1 TYR 58 1HE TYR 58 -2.869 3.337 6.969 440 HE2 TYR 58 2HE TYR 58 -0.874 0.058 5.113 441 HH TYR 58 HH TYR 58 -0.774 2.097 4.387 442 H ILE 59 H ILE 59 -5.112 -0.437 6.110 443 HA ILE 59 HA ILE 59 -5.408 2.323 6.220 444 HB ILE 59 HB ILE 59 -5.591 2.241 3.880 445 1HG1 ILE 59 2HG1 ILE 59 -5.905 -0.404 3.074 446 2HG1 ILE 59 1HG1 ILE 59 -7.069 -0.233 4.373 447 1HG2 ILE 59 1HG2 ILE 59 -3.451 1.638 3.925 448 2HG2 ILE 59 2HG2 ILE 59 -3.723 0.489 5.258 449 3HG2 ILE 59 3HG2 ILE 59 -4.000 -0.019 3.574 450 1HD1 ILE 59 1HD1 ILE 59 -7.741 0.443 1.904 451 2HD1 ILE 59 2HD1 ILE 59 -8.276 1.453 3.270 452 3HD1 ILE 59 3HD1 ILE 59 -6.877 1.951 2.289 453 H LEU 60 H LEU 60 -7.698 -0.217 6.757 454 HA LEU 60 HA LEU 60 -10.029 0.853 5.773 455 1HB LEU 60 2HB LEU 60 -9.336 -1.349 7.164 456 2HB LEU 60 1HB LEU 60 -10.123 -0.438 8.436 457 HG LEU 60 HG LEU 60 -12.089 -0.178 6.772 458 1HD1 LEU 60 1HD1 LEU 60 -10.479 -1.205 4.928 459 2HD1 LEU 60 2HD1 LEU 60 -11.153 -2.732 5.546 460 3HD1 LEU 60 3HD1 LEU 60 -12.238 -1.475 4.904 461 1HD2 LEU 60 1HD2 LEU 60 -12.657 -2.754 7.315 462 2HD2 LEU 60 2HD2 LEU 60 -11.297 -2.501 8.434 463 3HD2 LEU 60 3HD2 LEU 60 -12.730 -1.450 8.524 464 H LYS 61 H LYS 61 -8.667 1.291 9.119 465 HA LYS 61 HA LYS 61 -9.166 4.032 9.156 466 1HB LYS 61 2HB LYS 61 -11.563 2.904 9.192 467 2HB LYS 61 1HB LYS 61 -11.201 2.679 10.891 468 1HG LYS 61 2HG LYS 61 -12.390 4.850 10.389 469 2HG LYS 61 1HG LYS 61 -10.867 5.062 11.228 470 1HD LYS 61 2HD LYS 61 -9.784 5.951 9.351 471 2HD LYS 61 1HD LYS 61 -10.804 5.088 8.216 472 1HE LYS 61 2HE LYS 61 -11.840 7.115 7.951 473 2HE LYS 61 1HE LYS 61 -12.685 6.685 9.425 474 1HZ LYS 61 1HZ LYS 61 -10.848 8.743 9.024 475 2HZ LYS 61 2HZ LYS 61 -11.739 8.423 10.354 476 3HZ LYS 61 3HZ LYS 61 -10.262 7.748 10.177 477 H GLU 62 H GLU 62 -7.100 2.090 9.765 478 HA GLU 62 HA GLU 62 -6.891 2.627 12.625 479 1HB GLU 62 2HB GLU 62 -6.338 0.111 11.071 480 2HB GLU 62 1HB GLU 62 -5.286 0.475 12.424 481 1HG GLU 62 2HG GLU 62 -7.106 0.469 13.992 482 2HG GLU 62 1HG GLU 62 -8.311 0.582 12.725 483 H ILE 63 H ILE 63 -5.842 3.507 9.619 484 HA ILE 63 HA ILE 63 -3.179 3.358 9.439 485 HB ILE 63 HB ILE 63 -4.287 4.460 7.742 486 1HG1 ILE 63 2HG1 ILE 63 -3.367 7.048 8.372 487 2HG1 ILE 63 1HG1 ILE 63 -2.285 5.953 9.209 488 1HG2 ILE 63 1HG2 ILE 63 -6.242 5.419 8.189 489 2HG2 ILE 63 2HG2 ILE 63 -5.810 5.663 9.898 490 3HG2 ILE 63 3HG2 ILE 63 -5.336 6.871 8.679 491 1HD1 ILE 63 1HD1 ILE 63 -1.749 6.576 6.727 492 2HD1 ILE 63 2HD1 ILE 63 -1.612 4.870 7.214 493 3HD1 ILE 63 3HD1 ILE 63 -3.047 5.427 6.321 494 H ASP 64 H ASP 64 -1.469 3.743 10.735 495 HA ASP 64 HA ASP 64 -1.011 6.039 12.070 496 1HB ASP 64 2HB ASP 64 -2.818 4.227 13.558 497 2HB ASP 64 1HB ASP 64 -1.383 4.644 14.474 498 H THR 65 H THR 65 -1.019 2.457 12.765 499 HA THR 65 HA THR 65 1.923 2.575 12.857 500 HB THR 65 HB THR 65 1.078 2.319 15.144 501 HG1 THR 65 1HG THR 65 1.627 -0.314 13.983 502 1HG2 THR 65 1HG2 THR 65 -0.569 0.034 13.942 503 2HG2 THR 65 2HG2 THR 65 -0.301 0.250 15.688 504 3HG2 THR 65 3HG2 THR 65 -1.203 1.478 14.767 505 H LEU 66 H LEU 66 -1.048 0.765 12.013 506 HA LEU 66 HA LEU 66 -1.406 -0.783 10.479 507 1HB LEU 66 2HB LEU 66 -0.453 0.305 8.739 508 2HB LEU 66 1HB LEU 66 1.110 0.446 9.519 509 HG LEU 66 HG LEU 66 0.187 -2.260 8.613 510 1HD1 LEU 66 1HD1 LEU 66 0.515 0.020 6.858 511 2HD1 LEU 66 2HD1 LEU 66 1.712 -1.246 6.500 512 3HD1 LEU 66 3HD1 LEU 66 -0.025 -1.636 6.492 513 1HD2 LEU 66 1HD2 LEU 66 2.511 -1.238 9.788 514 2HD2 LEU 66 2HD2 LEU 66 2.275 -2.855 9.081 515 3HD2 LEU 66 3HD2 LEU 66 2.941 -1.537 8.087 516 HA PRO 67 HA PRO 67 0.357 -4.094 12.724 517 1HB PRO 67 2HB PRO 67 -1.597 -5.930 12.191 518 2HB PRO 67 1HB PRO 67 -1.693 -4.786 13.515 519 1HG PRO 67 2HG PRO 67 -3.125 -4.751 10.929 520 2HG PRO 67 1HG PRO 67 -3.505 -3.889 12.407 521 1HD PRO 67 2HD PRO 67 -2.287 -2.801 10.049 522 2HD PRO 67 1HD PRO 67 -2.560 -1.968 11.566 523 H TYR 68 H TYR 68 1.959 -3.653 10.806 524 HA TYR 68 HA TYR 68 2.047 -4.910 8.510 525 1HB TYR 68 2HB TYR 68 4.509 -5.337 9.095 526 2HB TYR 68 1HB TYR 68 3.966 -3.739 9.565 527 HD1 TYR 68 1HD TYR 68 5.219 -6.946 10.731 528 HD2 TYR 68 2HD TYR 68 3.470 -3.245 11.973 529 HE1 TYR 68 1HE TYR 68 5.967 -7.387 13.120 530 HE2 TYR 68 2HE TYR 68 4.223 -3.699 14.359 531 HH TYR 68 HH TYR 68 5.583 -6.782 15.264 532 H LYS 69 H LYS 69 2.447 -6.601 11.681 533 HA LYS 69 HA LYS 69 2.328 -9.134 10.209 534 1HB LYS 69 2HB LYS 69 4.263 -8.459 11.851 535 2HB LYS 69 1HB LYS 69 3.115 -8.898 13.101 536 1HG LYS 69 2HG LYS 69 3.071 -10.932 11.027 537 2HG LYS 69 1HG LYS 69 4.732 -10.647 11.505 538 1HD LYS 69 2HD LYS 69 2.936 -10.745 13.836 539 2HD LYS 69 1HD LYS 69 2.836 -12.213 12.884 540 1HE LYS 69 2HE LYS 69 5.559 -11.857 12.920 541 2HE LYS 69 1HE LYS 69 5.138 -11.120 14.452 542 1HZ LYS 69 1HZ LYS 69 3.736 -13.532 14.086 543 2HZ LYS 69 2HZ LYS 69 5.342 -13.783 13.934 544 3HZ LYS 69 3HZ LYS 69 4.748 -13.103 15.294 545 H ASN 70 H ASN 70 0.706 -10.637 10.629 546 HA ASN 70 HA ASN 70 -1.125 -10.026 12.760 547 1HB ASN 70 2HB ASN 70 -1.876 -8.863 10.530 548 2HB ASN 70 1HB ASN 70 -2.211 -10.482 9.944 549 1HD2 ASN 70 1HD2 ASN 70 -2.877 -8.199 12.562 550 2HD2 ASN 70 2HD2 ASN 70 -4.469 -8.758 12.956 551 H GLY 71 H GLY 71 -0.718 -11.991 9.708 552 1HA GLY 71 2HA GLY 71 0.005 -14.383 10.553 553 2HA GLY 71 1HA GLY 71 -1.663 -14.383 11.092 Start of MODEL 9 1 H MET 1 H MET 1 -0.945 18.122 2.610 2 HA MET 1 HA MET 1 -0.850 18.846 5.154 3 1HB MET 1 2HB MET 1 -3.045 20.357 3.691 4 2HB MET 1 1HB MET 1 -3.339 19.854 5.343 5 1HG MET 1 2HG MET 1 -1.235 21.030 6.064 6 2HG MET 1 1HG MET 1 -0.976 21.557 4.413 7 1HE MET 1 1HE MET 1 -1.232 24.434 5.136 8 2HE MET 1 2HE MET 1 -2.132 24.590 6.664 9 3HE MET 1 3HE MET 1 -0.834 23.381 6.514 10 H SER 2 H SER 2 -0.838 16.497 5.037 11 HA SER 2 HA SER 2 -3.554 15.457 4.978 12 1HB SER 2 2HB SER 2 -1.456 14.823 3.128 13 2HB SER 2 1HB SER 2 -1.689 13.411 4.138 14 HG SER 2 HG SER 2 -3.611 13.044 3.243 15 H THR 3 H THR 3 -3.262 12.918 5.859 16 HA THR 3 HA THR 3 -1.923 13.284 8.440 17 HB THR 3 HB THR 3 -3.463 11.400 9.103 18 HG1 THR 3 1HG THR 3 -5.075 10.964 7.277 19 1HG2 THR 3 1HG2 THR 3 -5.471 12.652 9.127 20 2HG2 THR 3 2HG2 THR 3 -4.256 13.936 8.912 21 3HG2 THR 3 3HG2 THR 3 -5.173 13.335 7.510 22 H LYS 4 H LYS 4 -1.660 10.582 9.173 23 HA LYS 4 HA LYS 4 0.852 10.042 8.096 24 1HB LYS 4 2HB LYS 4 -1.079 8.375 9.724 25 2HB LYS 4 1HB LYS 4 0.523 7.815 9.283 26 1HG LYS 4 2HG LYS 4 1.058 8.815 11.301 27 2HG LYS 4 1HG LYS 4 1.251 10.214 10.263 28 1HD LYS 4 2HD LYS 4 -0.525 11.293 11.204 29 2HD LYS 4 1HD LYS 4 -1.550 9.877 11.096 30 1HE LYS 4 2HE LYS 4 -1.295 9.491 13.315 31 2HE LYS 4 1HE LYS 4 0.438 9.344 13.112 32 1HZ LYS 4 1HZ LYS 4 0.267 11.128 14.486 33 2HZ LYS 4 2HZ LYS 4 0.313 11.904 13.050 34 3HZ LYS 4 3HZ LYS 4 -1.112 11.697 13.820 35 H LEU 5 H LEU 5 1.243 7.583 7.243 36 HA LEU 5 HA LEU 5 -0.650 6.435 5.584 37 1HB LEU 5 2HB LEU 5 0.159 7.148 3.366 38 2HB LEU 5 1HB LEU 5 -0.691 8.395 4.257 39 HG LEU 5 HG LEU 5 2.276 8.369 4.503 40 1HD1 LEU 5 1HD1 LEU 5 2.322 9.785 2.336 41 2HD1 LEU 5 2HD1 LEU 5 2.324 8.008 2.211 42 3HD1 LEU 5 3HD1 LEU 5 0.821 8.918 1.929 43 1HD2 LEU 5 1HD2 LEU 5 1.329 10.110 5.687 44 2HD2 LEU 5 2HD2 LEU 5 1.742 10.895 4.145 45 3HD2 LEU 5 3HD2 LEU 5 0.063 10.397 4.469 46 H TYR 6 H TYR 6 0.520 4.913 3.914 47 HA TYR 6 HA TYR 6 3.191 4.241 4.913 48 1HB TYR 6 2HB TYR 6 0.905 2.967 5.767 49 2HB TYR 6 1HB TYR 6 1.126 2.109 4.255 50 HD1 TYR 6 1HD TYR 6 3.847 3.339 6.483 51 HD2 TYR 6 2HD TYR 6 1.662 -0.054 5.062 52 HE1 TYR 6 1HE TYR 6 5.518 1.784 7.604 53 HE2 TYR 6 2HE TYR 6 3.340 -1.597 6.187 54 HH TYR 6 HH TYR 6 6.265 -0.745 7.062 55 H GLY 7 H GLY 7 4.513 4.330 3.169 56 1HA GLY 7 2HA GLY 7 5.077 4.414 0.959 57 2HA GLY 7 1HA GLY 7 4.627 2.724 1.071 58 H ASP 8 H ASP 8 2.878 5.915 0.877 59 HA ASP 8 HA ASP 8 0.641 4.916 -0.327 60 1HB ASP 8 2HB ASP 8 1.597 7.417 0.451 61 2HB ASP 8 1HB ASP 8 1.476 7.600 -1.288 62 H VAL 9 H VAL 9 -0.060 5.008 -2.634 63 HA VAL 9 HA VAL 9 2.158 4.458 -4.419 64 HB VAL 9 HB VAL 9 -0.837 4.229 -4.771 65 1HG1 VAL 9 1HG1 VAL 9 0.372 4.510 -6.906 66 2HG1 VAL 9 2HG1 VAL 9 1.410 3.125 -6.490 67 3HG1 VAL 9 3HG1 VAL 9 -0.335 2.885 -6.746 68 1HG2 VAL 9 1HG2 VAL 9 -0.635 1.913 -4.295 69 2HG2 VAL 9 2HG2 VAL 9 1.143 1.978 -4.344 70 3HG2 VAL 9 3HG2 VAL 9 0.260 2.754 -3.008 71 H ASN 10 H ASN 10 -0.801 6.568 -4.320 72 HA ASN 10 HA ASN 10 0.633 8.312 -6.166 73 1HB ASN 10 2HB ASN 10 -1.855 9.202 -6.520 74 2HB ASN 10 1HB ASN 10 -1.327 7.749 -7.345 75 1HD2 ASN 10 1HD2 ASN 10 -3.484 7.076 -7.478 76 2HD2 ASN 10 2HD2 ASN 10 -4.321 6.367 -6.136 77 H ASP 11 H ASP 11 0.699 8.115 -3.115 78 HA ASP 11 HA ASP 11 0.549 9.351 -1.333 79 1HB ASP 11 2HB ASP 11 0.627 11.987 -1.946 80 2HB ASP 11 1HB ASP 11 2.038 10.952 -2.056 81 H ASP 12 H ASP 12 -1.952 8.451 -1.898 82 HA ASP 12 HA ASP 12 -3.653 10.815 -1.829 83 1HB ASP 12 2HB ASP 12 -4.518 9.555 -3.584 84 2HB ASP 12 1HB ASP 12 -3.960 8.037 -2.913 85 H GLY 13 H GLY 13 -2.681 7.738 -0.286 86 1HA GLY 13 2HA GLY 13 -3.567 8.551 2.278 87 2HA GLY 13 1HA GLY 13 -4.701 7.407 1.589 88 H LYS 14 H LYS 14 -3.379 5.491 0.307 89 HA LYS 14 HA LYS 14 -0.925 4.737 1.480 90 1HB LYS 14 2HB LYS 14 -2.250 2.592 2.498 91 2HB LYS 14 1HB LYS 14 -1.708 3.967 3.438 92 1HG LYS 14 2HG LYS 14 -4.109 3.429 3.867 93 2HG LYS 14 1HG LYS 14 -3.903 5.051 3.236 94 1HD LYS 14 2HD LYS 14 -4.249 3.841 0.874 95 2HD LYS 14 1HD LYS 14 -5.017 2.604 1.851 96 1HE LYS 14 2HE LYS 14 -6.875 3.881 2.177 97 2HE LYS 14 1HE LYS 14 -5.926 5.272 2.662 98 1HZ LYS 14 1HZ LYS 14 -6.778 6.014 0.728 99 2HZ LYS 14 2HZ LYS 14 -5.433 5.320 0.114 100 3HZ LYS 14 3HZ LYS 14 -6.866 4.542 0.027 101 H VAL 15 H VAL 15 -0.411 2.362 0.812 102 HA VAL 15 HA VAL 15 -1.290 2.130 -1.933 103 HB VAL 15 HB VAL 15 1.074 2.015 -1.376 104 1HG1 VAL 15 1HG1 VAL 15 1.940 0.822 0.311 105 2HG1 VAL 15 2HG1 VAL 15 0.264 0.558 0.847 106 3HG1 VAL 15 3HG1 VAL 15 1.072 -0.653 -0.177 107 1HG2 VAL 15 1HG2 VAL 15 1.480 0.531 -3.020 108 2HG2 VAL 15 2HG2 VAL 15 0.686 -0.801 -2.147 109 3HG2 VAL 15 3HG2 VAL 15 -0.290 0.354 -3.087 110 H ASN 16 H ASN 16 -3.144 1.055 -2.370 111 HA ASN 16 HA ASN 16 -3.439 -1.563 -1.306 112 1HB ASN 16 2HB ASN 16 -5.984 -0.737 -0.706 113 2HB ASN 16 1HB ASN 16 -4.708 -0.843 0.490 114 1HD2 ASN 16 1HD2 ASN 16 -7.116 1.013 -0.375 115 2HD2 ASN 16 2HD2 ASN 16 -6.520 2.608 -0.063 116 H SER 17 H SER 17 -6.059 -2.131 -2.058 117 HA SER 17 HA SER 17 -5.969 -2.347 -4.733 118 1HB SER 17 2HB SER 17 -7.588 -3.434 -3.072 119 2HB SER 17 1HB SER 17 -8.556 -1.977 -3.168 120 HG SER 17 HG SER 17 -9.161 -2.440 -5.226 121 H THR 18 H THR 18 -6.983 0.443 -2.778 122 HA THR 18 HA THR 18 -8.441 1.842 -4.698 123 HB THR 18 HB THR 18 -6.689 2.731 -2.348 124 HG1 THR 18 1HG THR 18 -9.546 2.296 -2.876 125 1HG2 THR 18 1HG2 THR 18 -7.093 4.752 -3.612 126 2HG2 THR 18 2HG2 THR 18 -8.730 4.218 -4.068 127 3HG2 THR 18 3HG2 THR 18 -8.385 4.697 -2.389 128 H ASP 19 H ASP 19 -4.993 1.197 -4.439 129 HA ASP 19 HA ASP 19 -4.596 3.129 -6.585 130 1HB ASP 19 2HB ASP 19 -2.591 1.900 -4.635 131 2HB ASP 19 1HB ASP 19 -2.154 2.981 -5.943 132 H ALA 20 H ALA 20 -5.627 0.232 -6.614 133 HA ALA 20 HA ALA 20 -3.622 -1.512 -7.442 134 1HB ALA 20 1HB ALA 20 -6.607 -1.353 -7.987 135 2HB ALA 20 2HB ALA 20 -5.595 -2.724 -8.504 136 3HB ALA 20 3HB ALA 20 -5.768 -2.347 -6.774 137 H VAL 21 H VAL 21 -4.946 1.312 -8.944 138 HA VAL 21 HA VAL 21 -4.756 0.555 -11.634 139 HB VAL 21 HB VAL 21 -4.717 3.158 -10.130 140 1HG1 VAL 21 1HG1 VAL 21 -3.920 2.682 -12.942 141 2HG1 VAL 21 2HG1 VAL 21 -5.129 3.965 -12.697 142 3HG1 VAL 21 3HG1 VAL 21 -3.561 4.047 -11.858 143 1HG2 VAL 21 1HG2 VAL 21 -6.761 1.476 -10.870 144 2HG2 VAL 21 2HG2 VAL 21 -6.931 3.215 -10.527 145 3HG2 VAL 21 3HG2 VAL 21 -6.744 2.652 -12.206 146 H ALA 22 H ALA 22 -2.456 2.498 -9.586 147 HA ALA 22 HA ALA 22 -0.408 2.342 -11.532 148 1HB ALA 22 1HB ALA 22 -0.917 3.585 -8.957 149 2HB ALA 22 2HB ALA 22 0.719 2.885 -8.998 150 3HB ALA 22 3HB ALA 22 0.225 4.066 -10.236 151 H LEU 23 H LEU 23 -0.999 0.669 -8.365 152 HA LEU 23 HA LEU 23 1.222 -0.856 -8.212 153 1HB LEU 23 2HB LEU 23 -0.249 -0.960 -6.436 154 2HB LEU 23 1HB LEU 23 -1.635 -1.309 -7.452 155 HG LEU 23 HG LEU 23 -0.159 -3.541 -7.901 156 1HD1 LEU 23 1HD1 LEU 23 0.495 -4.190 -5.436 157 2HD1 LEU 23 2HD1 LEU 23 1.638 -3.329 -6.494 158 3HD1 LEU 23 3HD1 LEU 23 0.716 -2.432 -5.263 159 1HD2 LEU 23 1HD2 LEU 23 -1.581 -4.434 -5.830 160 2HD2 LEU 23 2HD2 LEU 23 -2.348 -2.837 -6.009 161 3HD2 LEU 23 3HD2 LEU 23 -2.329 -3.973 -7.379 162 H LYS 24 H LYS 24 -1.819 -1.790 -9.975 163 HA LYS 24 HA LYS 24 -0.957 -4.159 -10.998 164 1HB LYS 24 2HB LYS 24 -3.250 -3.270 -11.160 165 2HB LYS 24 1HB LYS 24 -2.722 -2.091 -12.345 166 1HG LYS 24 2HG LYS 24 -1.739 -4.453 -13.429 167 2HG LYS 24 1HG LYS 24 -3.219 -5.003 -12.669 168 1HD LYS 24 2HD LYS 24 -3.252 -2.496 -14.375 169 2HD LYS 24 1HD LYS 24 -3.278 -4.069 -15.147 170 1HE LYS 24 2HE LYS 24 -5.427 -4.533 -14.451 171 2HE LYS 24 1HE LYS 24 -5.198 -3.779 -12.886 172 1HZ LYS 24 1HZ LYS 24 -6.016 -1.889 -13.651 173 2HZ LYS 24 2HZ LYS 24 -5.111 -1.903 -15.011 174 3HZ LYS 24 3HZ LYS 24 -6.531 -2.709 -14.965 175 H ARG 25 H ARG 25 -0.381 -0.835 -12.291 176 HA ARG 25 HA ARG 25 0.947 -1.735 -14.560 177 1HB ARG 25 2HB ARG 25 0.710 0.877 -13.070 178 2HB ARG 25 1HB ARG 25 2.001 0.747 -14.248 179 1HG ARG 25 2HG ARG 25 0.553 0.867 -16.006 180 2HG ARG 25 1HG ARG 25 -0.524 -0.326 -15.308 181 1HD ARG 25 2HD ARG 25 -1.945 1.487 -15.137 182 2HD ARG 25 1HD ARG 25 -1.080 1.742 -13.635 183 HE ARG 25 HE ARG 25 -0.102 3.655 -14.558 184 1HH1 ARG 25 2HH2 ARG 25 -1.331 1.633 -17.162 185 2HH1 ARG 25 1HH2 ARG 25 -1.002 2.802 -18.396 186 1HH2 ARG 25 2HH1 ARG 25 0.333 5.198 -16.186 187 2HH2 ARG 25 1HH1 ARG 25 -0.049 4.843 -17.838 188 H TYR 26 H TYR 26 1.895 -1.315 -11.187 189 HA TYR 26 HA TYR 26 4.705 -1.172 -11.700 190 1HB TYR 26 2HB TYR 26 3.168 -0.386 -9.674 191 2HB TYR 26 1HB TYR 26 3.203 -2.066 -9.174 192 HD1 TYR 26 1HD TYR 26 4.580 0.962 -8.437 193 HD2 TYR 26 2HD TYR 26 5.840 -3.020 -9.366 194 HE1 TYR 26 1HE TYR 26 6.775 1.365 -7.219 195 HE2 TYR 26 2HE TYR 26 8.031 -2.604 -8.144 196 HH TYR 26 HH TYR 26 9.188 -1.231 -6.948 197 H VAL 27 H VAL 27 2.560 -3.687 -10.173 198 HA VAL 27 HA VAL 27 4.443 -5.653 -9.939 199 HB VAL 27 HB VAL 27 1.522 -5.983 -10.648 200 1HG1 VAL 27 1HG1 VAL 27 2.554 -8.109 -10.800 201 2HG1 VAL 27 2HG1 VAL 27 3.559 -7.814 -9.361 202 3HG1 VAL 27 3HG1 VAL 27 1.805 -8.058 -9.186 203 1HG2 VAL 27 1HG2 VAL 27 2.164 -6.212 -7.826 204 2HG2 VAL 27 2HG2 VAL 27 2.619 -4.613 -8.462 205 3HG2 VAL 27 3HG2 VAL 27 0.948 -5.198 -8.638 206 H LEU 28 H LEU 28 2.483 -4.707 -12.807 207 HA LEU 28 HA LEU 28 3.297 -6.868 -14.404 208 1HB LEU 28 2HB LEU 28 1.792 -4.386 -14.678 209 2HB LEU 28 1HB LEU 28 2.727 -4.760 -16.112 210 HG LEU 28 HG LEU 28 1.515 -7.190 -15.431 211 1HD1 LEU 28 1HD1 LEU 28 -0.964 -6.219 -15.553 212 2HD1 LEU 28 2HD1 LEU 28 -0.133 -6.535 -14.010 213 3HD1 LEU 28 3HD1 LEU 28 -0.201 -4.880 -14.662 214 1HD2 LEU 28 1HD2 LEU 28 1.466 -5.223 -17.586 215 2HD2 LEU 28 2HD2 LEU 28 1.444 -7.002 -17.650 216 3HD2 LEU 28 3HD2 LEU 28 -0.074 -6.101 -17.422 217 H ARG 29 H ARG 29 4.545 -3.494 -14.006 218 HA ARG 29 HA ARG 29 7.140 -4.433 -14.617 219 1HB ARG 29 2HB ARG 29 7.553 -3.155 -16.639 220 2HB ARG 29 1HB ARG 29 6.100 -4.093 -16.923 221 1HG ARG 29 2HG ARG 29 5.967 -1.239 -15.869 222 2HG ARG 29 1HG ARG 29 6.063 -1.575 -17.586 223 1HD ARG 29 2HD ARG 29 4.012 -3.214 -16.209 224 2HD ARG 29 1HD ARG 29 3.711 -1.492 -16.074 225 HE ARG 29 HE ARG 29 3.407 -3.078 -18.453 226 1HH1 ARG 29 2HH2 ARG 29 4.515 0.094 -17.406 227 2HH1 ARG 29 1HH2 ARG 29 4.159 0.860 -18.919 228 1HH2 ARG 29 2HH1 ARG 29 2.938 -2.068 -20.450 229 2HH2 ARG 29 1HH1 ARG 29 3.256 -0.379 -20.662 230 H SER 30 H SER 30 8.767 -2.522 -14.495 231 HA SER 30 HA SER 30 7.741 -0.696 -12.501 232 1HB SER 30 2HB SER 30 10.153 -0.237 -12.040 233 2HB SER 30 1HB SER 30 9.752 -1.936 -11.887 234 HG SER 30 HG SER 30 11.439 -2.179 -13.203 235 H GLY 31 H GLY 31 6.964 1.230 -13.289 236 1HA GLY 31 2HA GLY 31 8.640 2.718 -15.168 237 2HA GLY 31 1HA GLY 31 7.009 2.328 -15.679 238 H ILE 32 H ILE 32 5.317 2.706 -13.669 239 HA ILE 32 HA ILE 32 5.223 5.473 -13.355 240 HB ILE 32 HB ILE 32 3.421 4.863 -11.653 241 1HG1 ILE 32 2HG1 ILE 32 3.143 2.155 -12.651 242 2HG1 ILE 32 1HG1 ILE 32 4.669 2.344 -11.811 243 1HG2 ILE 32 1HG2 ILE 32 3.256 5.310 -14.217 244 2HG2 ILE 32 2HG2 ILE 32 2.927 3.563 -14.314 245 3HG2 ILE 32 3HG2 ILE 32 1.869 4.616 -13.344 246 1HD1 ILE 32 1HD1 ILE 32 2.192 1.934 -10.602 247 2HD1 ILE 32 2HD1 ILE 32 3.654 2.535 -9.783 248 3HD1 ILE 32 3HD1 ILE 32 2.448 3.685 -10.405 249 H SER 33 H SER 33 5.246 6.720 -11.296 250 HA SER 33 HA SER 33 7.399 5.691 -9.630 251 1HB SER 33 2HB SER 33 6.697 8.364 -10.694 252 2HB SER 33 1HB SER 33 7.114 8.384 -8.992 253 HG SER 33 HG SER 33 8.750 7.087 -10.995 254 H ILE 34 H ILE 34 6.838 5.000 -7.599 255 HA ILE 34 HA ILE 34 4.610 6.355 -6.283 256 HB ILE 34 HB ILE 34 3.720 4.198 -5.524 257 1HG1 ILE 34 2HG1 ILE 34 5.178 2.702 -7.648 258 2HG1 ILE 34 1HG1 ILE 34 6.080 3.090 -6.196 259 1HG2 ILE 34 1HG2 ILE 34 3.124 3.497 -8.097 260 2HG2 ILE 34 2HG2 ILE 34 2.330 4.797 -7.177 261 3HG2 ILE 34 3HG2 ILE 34 3.660 5.182 -8.296 262 1HD1 ILE 34 1HD1 ILE 34 5.107 1.257 -5.270 263 2HD1 ILE 34 2HD1 ILE 34 3.615 2.223 -5.188 264 3HD1 ILE 34 3HD1 ILE 34 3.904 1.147 -6.577 265 H ASN 35 H ASN 35 4.555 5.376 -3.857 266 HA ASN 35 HA ASN 35 7.253 5.822 -2.956 267 1HB ASN 35 2HB ASN 35 4.848 5.399 -1.142 268 2HB ASN 35 1HB ASN 35 6.281 6.358 -0.832 269 1HD2 ASN 35 1HD2 ASN 35 3.423 7.032 -0.739 270 2HD2 ASN 35 2HD2 ASN 35 3.189 8.400 -1.775 271 H THR 36 H THR 36 7.500 3.443 -4.040 272 HA THR 36 HA THR 36 6.453 1.255 -2.562 273 HB THR 36 HB THR 36 7.057 1.061 -4.937 274 HG1 THR 36 1HG THR 36 8.078 -0.913 -4.532 275 1HG2 THR 36 1HG2 THR 36 9.678 0.925 -5.321 276 2HG2 THR 36 2HG2 THR 36 8.881 2.515 -5.380 277 3HG2 THR 36 3HG2 THR 36 9.755 2.012 -3.914 278 H ASP 37 H ASP 37 8.748 3.585 -1.729 279 HA ASP 37 HA ASP 37 10.774 2.141 -0.631 280 1HB ASP 37 2HB ASP 37 9.618 4.815 -0.353 281 2HB ASP 37 1HB ASP 37 10.204 4.248 1.198 282 H ASN 38 H ASN 38 7.914 3.556 1.151 283 HA ASN 38 HA ASN 38 8.252 1.433 3.106 284 1HB ASN 38 2HB ASN 38 6.491 3.051 4.338 285 2HB ASN 38 1HB ASN 38 8.207 3.405 4.363 286 1HD2 ASN 38 1HD2 ASN 38 5.680 5.052 4.410 287 2HD2 ASN 38 2HD2 ASN 38 5.894 6.273 3.199 288 H ALA 39 H ALA 39 7.060 0.724 0.622 289 HA ALA 39 HA ALA 39 4.180 0.864 1.045 290 1HB ALA 39 1HB ALA 39 5.903 -0.121 -1.265 291 2HB ALA 39 2HB ALA 39 4.122 -0.125 -1.255 292 3HB ALA 39 3HB ALA 39 5.010 1.417 -1.178 293 H ASP 40 H ASP 40 6.048 -1.834 -0.414 294 HA ASP 40 HA ASP 40 4.504 -3.670 1.074 295 1HB ASP 40 2HB ASP 40 5.125 -4.391 -1.102 296 2HB ASP 40 1HB ASP 40 6.781 -3.847 -0.914 297 H LEU 41 H LEU 41 5.282 -5.102 2.772 298 HA LEU 41 HA LEU 41 7.942 -4.421 3.811 299 1HB LEU 41 2HB LEU 41 5.483 -4.951 5.481 300 2HB LEU 41 1HB LEU 41 7.085 -4.540 6.060 301 HG LEU 41 HG LEU 41 5.885 -2.557 6.265 302 1HD1 LEU 41 1HD1 LEU 41 8.047 -2.618 4.612 303 2HD1 LEU 41 2HD1 LEU 41 6.851 -1.791 3.585 304 3HD1 LEU 41 3HD1 LEU 41 7.251 -1.134 5.190 305 1HD2 LEU 41 1HD2 LEU 41 4.702 -3.091 3.527 306 2HD2 LEU 41 2HD2 LEU 41 3.869 -3.163 5.099 307 3HD2 LEU 41 3HD2 LEU 41 4.452 -1.603 4.471 308 H ASN 42 H ASN 42 7.269 -6.515 1.932 309 HA ASN 42 HA ASN 42 7.927 -8.754 3.658 310 1HB ASN 42 2HB ASN 42 6.263 -9.349 1.225 311 2HB ASN 42 1HB ASN 42 6.270 -10.154 2.782 312 1HD2 ASN 42 1HD2 ASN 42 5.456 -8.850 4.646 313 2HD2 ASN 42 2HD2 ASN 42 4.052 -7.865 4.405 314 H GLU 43 H GLU 43 9.036 -6.679 1.459 315 HA GLU 43 HA GLU 43 10.560 -6.670 -0.087 316 1HB GLU 43 2HB GLU 43 11.236 -8.906 1.535 317 2HB GLU 43 1HB GLU 43 11.465 -9.441 -0.118 318 1HG GLU 43 2HG GLU 43 12.647 -7.024 -0.349 319 2HG GLU 43 1HG GLU 43 12.867 -7.231 1.378 320 H ASP 44 H ASP 44 8.069 -6.854 -1.113 321 HA ASP 44 HA ASP 44 8.395 -8.823 -3.238 322 1HB ASP 44 2HB ASP 44 5.695 -7.696 -2.464 323 2HB ASP 44 1HB ASP 44 6.054 -9.201 -3.286 324 H GLY 45 H GLY 45 7.293 -5.572 -2.152 325 1HA GLY 45 2HA GLY 45 8.192 -3.952 -4.007 326 2HA GLY 45 1HA GLY 45 6.886 -4.689 -4.913 327 H ARG 46 H ARG 46 4.652 -4.701 -3.804 328 HA ARG 46 HA ARG 46 4.407 -2.434 -2.018 329 1HB ARG 46 2HB ARG 46 2.876 -2.873 -4.624 330 2HB ARG 46 1HB ARG 46 2.281 -1.803 -3.370 331 1HG ARG 46 2HG ARG 46 3.735 -0.156 -3.959 332 2HG ARG 46 1HG ARG 46 5.102 -1.251 -3.913 333 1HD ARG 46 2HD ARG 46 3.228 -0.700 -6.246 334 2HD ARG 46 1HD ARG 46 4.967 -0.490 -6.189 335 HE ARG 46 HE ARG 46 3.534 -2.972 -6.726 336 1HH1 ARG 46 2HH2 ARG 46 6.534 -1.642 -5.456 337 2HH1 ARG 46 1HH2 ARG 46 7.458 -3.069 -5.789 338 1HH2 ARG 46 2HH1 ARG 46 4.752 -4.855 -7.165 339 2HH2 ARG 46 1HH1 ARG 46 6.437 -4.910 -6.768 340 H VAL 47 H VAL 47 1.901 -4.323 -3.820 341 HA VAL 47 HA VAL 47 1.296 -5.808 -1.387 342 HB VAL 47 HB VAL 47 -1.049 -5.233 -1.502 343 1HG1 VAL 47 1HG1 VAL 47 -0.942 -2.976 -0.654 344 2HG1 VAL 47 2HG1 VAL 47 0.521 -3.848 -0.135 345 3HG1 VAL 47 3HG1 VAL 47 0.607 -2.689 -1.483 346 1HG2 VAL 47 1HG2 VAL 47 -1.287 -4.835 -3.892 347 2HG2 VAL 47 2HG2 VAL 47 -1.857 -3.416 -2.980 348 3HG2 VAL 47 3HG2 VAL 47 -0.266 -3.381 -3.779 349 H ASN 48 H ASN 48 1.164 -7.923 -1.918 350 HA ASN 48 HA ASN 48 0.707 -8.517 -4.713 351 1HB ASN 48 2HB ASN 48 1.286 -10.784 -2.884 352 2HB ASN 48 1HB ASN 48 2.072 -10.349 -4.389 353 1HD2 ASN 48 1HD2 ASN 48 1.896 -9.775 -0.941 354 2HD2 ASN 48 2HD2 ASN 48 3.450 -9.036 -0.734 355 H SER 49 H SER 49 -0.369 -9.320 -1.346 356 HA SER 49 HA SER 49 -3.020 -9.521 -2.022 357 1HB SER 49 2HB SER 49 -2.419 -11.561 -3.264 358 2HB SER 49 1HB SER 49 -1.620 -12.225 -1.852 359 HG SER 49 HG SER 49 -3.504 -12.985 -1.204 360 H THR 50 H THR 50 -0.284 -10.629 0.008 361 HA THR 50 HA THR 50 -1.910 -11.014 2.339 362 HB THR 50 HB THR 50 1.074 -10.973 1.703 363 HG1 THR 50 1HG THR 50 -0.359 -12.805 1.126 364 1HG2 THR 50 1HG2 THR 50 0.998 -12.175 4.114 365 2HG2 THR 50 2HG2 THR 50 1.262 -10.421 3.977 366 3HG2 THR 50 3HG2 THR 50 -0.358 -11.049 4.364 367 H ASP 51 H ASP 51 0.117 -8.391 0.977 368 HA ASP 51 HA ASP 51 0.077 -6.844 3.285 369 1HB ASP 51 2HB ASP 51 0.237 -5.941 0.370 370 2HB ASP 51 1HB ASP 51 0.716 -4.980 1.755 371 H LEU 52 H LEU 52 -1.778 -6.578 0.149 372 HA LEU 52 HA LEU 52 -3.417 -4.531 0.657 373 1HB LEU 52 2HB LEU 52 -4.229 -5.205 -1.269 374 2HB LEU 52 1HB LEU 52 -3.329 -6.700 -1.117 375 HG LEU 52 HG LEU 52 -5.308 -7.635 0.175 376 1HD1 LEU 52 1HD1 LEU 52 -7.364 -6.051 -0.922 377 2HD1 LEU 52 2HD1 LEU 52 -6.933 -6.259 0.793 378 3HD1 LEU 52 3HD1 LEU 52 -6.223 -4.925 -0.147 379 1HD2 LEU 52 1HD2 LEU 52 -5.761 -6.836 -2.714 380 2HD2 LEU 52 2HD2 LEU 52 -4.820 -8.237 -2.148 381 3HD2 LEU 52 3HD2 LEU 52 -6.573 -8.161 -1.846 382 H GLY 53 H GLY 53 -3.737 -7.866 1.978 383 1HA GLY 53 2HA GLY 53 -6.216 -7.620 3.192 384 2HA GLY 53 1HA GLY 53 -4.907 -8.655 3.726 385 H ILE 54 H ILE 54 -3.051 -7.466 4.967 386 HA ILE 54 HA ILE 54 -4.097 -6.367 7.259 387 HB ILE 54 HB ILE 54 -1.493 -6.887 6.102 388 1HG1 ILE 54 2HG1 ILE 54 -2.684 -6.889 8.881 389 2HG1 ILE 54 1HG1 ILE 54 -2.352 -8.264 7.848 390 1HG2 ILE 54 1HG2 ILE 54 -0.259 -5.299 7.602 391 2HG2 ILE 54 2HG2 ILE 54 -1.069 -4.543 6.209 392 3HG2 ILE 54 3HG2 ILE 54 -1.790 -4.422 7.832 393 1HD1 ILE 54 1HD1 ILE 54 -0.516 -8.294 9.318 394 2HD1 ILE 54 2HD1 ILE 54 0.145 -7.408 7.923 395 3HD1 ILE 54 3HD1 ILE 54 -0.399 -6.519 9.365 396 H LEU 55 H LEU 55 -2.947 -4.786 4.247 397 HA LEU 55 HA LEU 55 -2.981 -2.173 5.218 398 1HB LEU 55 2HB LEU 55 -3.207 -3.412 2.492 399 2HB LEU 55 1HB LEU 55 -3.356 -1.678 2.707 400 HG LEU 55 HG LEU 55 -1.036 -2.921 2.177 401 1HD1 LEU 55 1HD1 LEU 55 -0.101 -0.813 3.647 402 2HD1 LEU 55 2HD1 LEU 55 -0.741 -0.708 1.989 403 3HD1 LEU 55 3HD1 LEU 55 -1.797 -0.346 3.374 404 1HD2 LEU 55 1HD2 LEU 55 -1.074 -2.716 5.201 405 2HD2 LEU 55 2HD2 LEU 55 -1.030 -4.219 4.249 406 3HD2 LEU 55 3HD2 LEU 55 0.342 -3.087 4.188 407 H LYS 56 H LYS 56 -5.495 -3.945 3.274 408 HA LYS 56 HA LYS 56 -7.410 -1.930 3.547 409 1HB LYS 56 2HB LYS 56 -8.914 -3.464 2.556 410 2HB LYS 56 1HB LYS 56 -7.347 -3.781 1.839 411 1HG LYS 56 2HG LYS 56 -7.218 -5.884 2.738 412 2HG LYS 56 1HG LYS 56 -7.812 -5.357 4.299 413 1HD LYS 56 2HD LYS 56 -10.071 -5.097 2.673 414 2HD LYS 56 1HD LYS 56 -9.296 -6.527 2.020 415 1HE LYS 56 2HE LYS 56 -9.095 -7.335 4.492 416 2HE LYS 56 1HE LYS 56 -10.226 -6.055 4.882 417 1HZ LYS 56 1HZ LYS 56 -11.715 -7.020 3.200 418 2HZ LYS 56 2HZ LYS 56 -10.684 -8.271 3.012 419 3HZ LYS 56 3HZ LYS 56 -11.421 -8.031 4.449 420 H ARG 57 H ARG 57 -6.005 -3.899 5.909 421 HA ARG 57 HA ARG 57 -8.422 -4.139 7.441 422 1HB ARG 57 2HB ARG 57 -5.824 -5.435 7.384 423 2HB ARG 57 1HB ARG 57 -6.093 -4.814 9.000 424 1HG ARG 57 2HG ARG 57 -7.810 -6.283 9.428 425 2HG ARG 57 1HG ARG 57 -8.475 -6.142 7.813 426 1HD ARG 57 2HD ARG 57 -7.575 -8.171 7.330 427 2HD ARG 57 1HD ARG 57 -5.985 -7.441 7.438 428 HE ARG 57 HE ARG 57 -5.679 -8.470 9.517 429 1HH1 ARG 57 2HH2 ARG 57 -9.109 -8.467 8.730 430 2HH1 ARG 57 1HH2 ARG 57 -9.550 -9.461 10.079 431 1HH2 ARG 57 2HH1 ARG 57 -6.260 -9.781 11.297 432 2HH2 ARG 57 1HH1 ARG 57 -7.919 -10.213 11.548 433 H TYR 58 H TYR 58 -5.179 -2.518 7.612 434 HA TYR 58 HA TYR 58 -6.010 -1.010 9.940 435 1HB TYR 58 2HB TYR 58 -3.676 -0.673 10.083 436 2HB TYR 58 1HB TYR 58 -3.651 -2.081 9.042 437 HD1 TYR 58 1HD TYR 58 -3.994 1.649 8.709 438 HD2 TYR 58 2HD TYR 58 -2.323 -1.967 7.147 439 HE1 TYR 58 1HE TYR 58 -2.762 2.979 6.927 440 HE2 TYR 58 2HE TYR 58 -1.096 -0.624 5.371 441 HH TYR 58 HH TYR 58 -1.507 2.900 5.171 442 H ILE 59 H ILE 59 -5.333 -0.516 6.437 443 HA ILE 59 HA ILE 59 -5.427 2.259 6.454 444 HB ILE 59 HB ILE 59 -5.643 2.111 4.115 445 1HG1 ILE 59 2HG1 ILE 59 -6.131 -0.447 3.297 446 2HG1 ILE 59 1HG1 ILE 59 -7.170 -0.353 4.706 447 1HG2 ILE 59 1HG2 ILE 59 -3.528 1.403 4.263 448 2HG2 ILE 59 2HG2 ILE 59 -3.911 0.208 5.525 449 3HG2 ILE 59 3HG2 ILE 59 -4.178 -0.191 3.812 450 1HD1 ILE 59 1HD1 ILE 59 -8.667 0.885 3.549 451 2HD1 ILE 59 2HD1 ILE 59 -7.426 2.124 3.240 452 3HD1 ILE 59 3HD1 ILE 59 -7.627 0.763 2.110 453 H LEU 60 H LEU 60 -7.889 -0.080 7.103 454 HA LEU 60 HA LEU 60 -10.137 1.168 6.092 455 1HB LEU 60 2HB LEU 60 -9.648 -1.104 7.415 456 2HB LEU 60 1HB LEU 60 -10.282 -0.158 8.746 457 HG LEU 60 HG LEU 60 -12.056 -1.454 7.767 458 1HD1 LEU 60 1HD1 LEU 60 -12.851 1.160 6.648 459 2HD1 LEU 60 2HD1 LEU 60 -13.611 0.164 7.912 460 3HD1 LEU 60 3HD1 LEU 60 -12.220 1.201 8.312 461 1HD2 LEU 60 1HD2 LEU 60 -11.632 -2.023 5.615 462 2HD2 LEU 60 2HD2 LEU 60 -12.707 -0.640 5.302 463 3HD2 LEU 60 3HD2 LEU 60 -10.942 -0.434 5.207 464 H LYS 61 H LYS 61 -8.086 1.944 8.888 465 HA LYS 61 HA LYS 61 -8.962 4.558 9.025 466 1HB LYS 61 2HB LYS 61 -10.298 4.535 11.114 467 2HB LYS 61 1HB LYS 61 -11.115 3.788 9.756 468 1HG LYS 61 2HG LYS 61 -9.537 1.782 11.161 469 2HG LYS 61 1HG LYS 61 -10.558 2.628 12.306 470 1HD LYS 61 2HD LYS 61 -12.251 2.198 10.094 471 2HD LYS 61 1HD LYS 61 -11.310 0.722 10.190 472 1HE LYS 61 2HE LYS 61 -12.673 1.944 12.630 473 2HE LYS 61 1HE LYS 61 -13.482 0.794 11.584 474 1HZ LYS 61 1HZ LYS 61 -10.932 -0.151 12.263 475 2HZ LYS 61 2HZ LYS 61 -11.750 0.232 13.624 476 3HZ LYS 61 3HZ LYS 61 -12.387 -0.829 12.559 477 H GLU 62 H GLU 62 -7.676 1.645 10.636 478 HA GLU 62 HA GLU 62 -6.353 2.849 12.697 479 1HB GLU 62 2HB GLU 62 -6.423 0.283 11.442 480 2HB GLU 62 1HB GLU 62 -4.730 0.715 11.589 481 1HG GLU 62 2HG GLU 62 -5.017 1.164 14.008 482 2HG GLU 62 1HG GLU 62 -6.739 0.857 13.888 483 H ILE 63 H ILE 63 -5.865 3.240 9.309 484 HA ILE 63 HA ILE 63 -3.295 3.445 8.775 485 HB ILE 63 HB ILE 63 -4.860 4.106 7.165 486 1HG1 ILE 63 2HG1 ILE 63 -4.023 6.752 7.007 487 2HG1 ILE 63 1HG1 ILE 63 -2.753 5.986 7.939 488 1HG2 ILE 63 1HG2 ILE 63 -5.819 6.012 9.258 489 2HG2 ILE 63 2HG2 ILE 63 -6.034 6.442 7.544 490 3HG2 ILE 63 3HG2 ILE 63 -6.735 4.934 8.178 491 1HD1 ILE 63 1HD1 ILE 63 -2.050 4.686 6.179 492 2HD1 ILE 63 2HD1 ILE 63 -3.707 4.415 5.588 493 3HD1 ILE 63 3HD1 ILE 63 -2.864 5.936 5.209 494 H ASP 64 H ASP 64 -1.586 4.002 10.012 495 HA ASP 64 HA ASP 64 -1.013 6.523 10.711 496 1HB ASP 64 2HB ASP 64 -2.716 6.794 12.317 497 2HB ASP 64 1HB ASP 64 -2.649 5.117 12.823 498 H THR 65 H THR 65 -1.154 3.272 12.362 499 HA THR 65 HA THR 65 1.793 3.308 12.450 500 HB THR 65 HB THR 65 0.829 3.554 14.708 501 HG1 THR 65 1HG THR 65 1.615 1.338 15.442 502 1HG2 THR 65 1HG2 THR 65 -0.470 1.419 15.530 503 2HG2 THR 65 2HG2 THR 65 -1.386 2.659 14.641 504 3HG2 THR 65 3HG2 THR 65 -0.852 1.180 13.808 505 H LEU 66 H LEU 66 -1.200 1.496 11.778 506 HA LEU 66 HA LEU 66 -1.554 -0.331 10.590 507 1HB LEU 66 2HB LEU 66 -0.379 0.506 8.784 508 2HB LEU 66 1HB LEU 66 1.167 0.427 9.604 509 HG LEU 66 HG LEU 66 -0.261 -2.138 9.009 510 1HD1 LEU 66 1HD1 LEU 66 -0.314 -1.829 6.815 511 2HD1 LEU 66 2HD1 LEU 66 0.409 -0.211 6.985 512 3HD1 LEU 66 3HD1 LEU 66 1.455 -1.643 6.822 513 1HD2 LEU 66 1HD2 LEU 66 2.553 -2.099 8.431 514 2HD2 LEU 66 2HD2 LEU 66 2.261 -1.386 10.037 515 3HD2 LEU 66 3HD2 LEU 66 1.663 -3.022 9.667 516 HA PRO 67 HA PRO 67 -0.030 -3.116 13.622 517 1HB PRO 67 2HB PRO 67 -2.165 -4.821 13.581 518 2HB PRO 67 1HB PRO 67 -2.099 -3.393 14.595 519 1HG PRO 67 2HG PRO 67 -3.632 -3.828 12.105 520 2HG PRO 67 1HG PRO 67 -3.867 -2.606 13.341 521 1HD PRO 67 2HD PRO 67 -2.654 -2.234 10.768 522 2HD PRO 67 1HD PRO 67 -2.786 -1.044 12.047 523 H TYR 68 H TYR 68 1.510 -3.293 11.602 524 HA TYR 68 HA TYR 68 1.328 -5.121 9.698 525 1HB TYR 68 2HB TYR 68 3.823 -5.554 10.282 526 2HB TYR 68 1HB TYR 68 3.383 -3.861 10.166 527 HD1 TYR 68 1HD TYR 68 3.174 -2.470 12.205 528 HD2 TYR 68 2HD TYR 68 4.456 -6.547 12.403 529 HE1 TYR 68 1HE TYR 68 4.058 -2.085 14.557 530 HE2 TYR 68 2HE TYR 68 5.336 -6.148 14.755 531 HH TYR 68 HH TYR 68 4.550 -3.341 16.520 532 H LYS 69 H LYS 69 2.082 -5.916 13.157 533 HA LYS 69 HA LYS 69 1.970 -7.809 14.285 534 1HB LYS 69 2HB LYS 69 -0.421 -7.616 13.424 535 2HB LYS 69 1HB LYS 69 0.002 -8.810 12.215 536 1HG LYS 69 2HG LYS 69 0.847 -10.279 14.183 537 2HG LYS 69 1HG LYS 69 0.033 -9.145 15.242 538 1HD LYS 69 2HD LYS 69 -1.689 -10.002 13.004 539 2HD LYS 69 1HD LYS 69 -1.139 -11.359 13.968 540 1HE LYS 69 2HE LYS 69 -1.854 -9.952 16.044 541 2HE LYS 69 1HE LYS 69 -2.693 -8.914 14.909 542 1HZ LYS 69 1HZ LYS 69 -3.390 -11.456 14.215 543 2HZ LYS 69 2HZ LYS 69 -3.433 -11.459 15.847 544 3HZ LYS 69 3HZ LYS 69 -4.321 -10.374 15.009 545 H ASN 70 H ASN 70 3.732 -9.082 14.393 546 HA ASN 70 HA ASN 70 4.386 -10.553 11.962 547 1HB ASN 70 2HB ASN 70 6.004 -8.726 13.553 548 2HB ASN 70 1HB ASN 70 6.710 -10.326 13.649 549 1HD2 ASN 70 1HD2 ASN 70 8.274 -10.547 12.255 550 2HD2 ASN 70 2HD2 ASN 70 8.304 -10.010 10.609 551 H GLY 71 H GLY 71 5.003 -12.787 12.301 552 1HA GLY 71 2HA GLY 71 5.652 -13.920 14.778 553 2HA GLY 71 1HA GLY 71 3.920 -14.072 14.556 Start of MODEL 10 1 H MET 1 H MET 1 2.347 21.803 9.040 2 HA MET 1 HA MET 1 0.327 20.745 9.542 3 1HB MET 1 2HB MET 1 -0.015 21.099 6.554 4 2HB MET 1 1HB MET 1 -0.818 19.730 7.294 5 1HG MET 1 2HG MET 1 -1.829 21.362 8.998 6 2HG MET 1 1HG MET 1 -1.172 22.672 8.035 7 1HE MET 1 1HE MET 1 -4.364 22.083 8.717 8 2HE MET 1 2HE MET 1 -3.646 23.536 7.980 9 3HE MET 1 3HE MET 1 -4.995 22.703 7.173 10 H SER 2 H SER 2 0.101 18.414 9.741 11 HA SER 2 HA SER 2 1.998 16.890 8.171 12 1HB SER 2 2HB SER 2 2.275 17.533 11.012 13 2HB SER 2 1HB SER 2 2.167 15.800 10.778 14 HG SER 2 HG SER 2 4.363 16.470 10.622 15 H THR 3 H THR 3 1.058 14.995 7.459 16 HA THR 3 HA THR 3 -1.407 14.162 8.841 17 HB THR 3 HB THR 3 -1.906 13.172 6.508 18 HG1 THR 3 1HG THR 3 -0.431 13.877 4.887 19 1HG2 THR 3 1HG2 THR 3 -2.383 15.737 7.427 20 2HG2 THR 3 2HG2 THR 3 -1.411 16.066 5.973 21 3HG2 THR 3 3HG2 THR 3 -2.923 15.136 5.841 22 H LYS 4 H LYS 4 -1.738 11.640 7.799 23 HA LYS 4 HA LYS 4 0.721 10.258 8.600 24 1HB LYS 4 2HB LYS 4 -0.545 8.707 9.953 25 2HB LYS 4 1HB LYS 4 -0.820 10.340 10.522 26 1HG LYS 4 2HG LYS 4 -2.712 9.152 8.477 27 2HG LYS 4 1HG LYS 4 -2.867 8.682 10.158 28 1HD LYS 4 2HD LYS 4 -2.555 11.567 10.016 29 2HD LYS 4 1HD LYS 4 -3.821 11.079 8.907 30 1HE LYS 4 2HE LYS 4 -5.123 10.067 10.636 31 2HE LYS 4 1HE LYS 4 -3.760 9.973 11.735 32 1HZ LYS 4 1HZ LYS 4 -4.730 11.814 12.526 33 2HZ LYS 4 2HZ LYS 4 -3.866 12.565 11.361 34 3HZ LYS 4 3HZ LYS 4 -5.444 12.226 11.117 35 H LEU 5 H LEU 5 1.247 8.464 7.373 36 HA LEU 5 HA LEU 5 -0.577 7.021 5.848 37 1HB LEU 5 2HB LEU 5 -0.045 7.782 3.595 38 2HB LEU 5 1HB LEU 5 -0.898 8.992 4.532 39 HG LEU 5 HG LEU 5 2.088 8.987 4.014 40 1HD1 LEU 5 1HD1 LEU 5 -0.215 10.257 2.577 41 2HD1 LEU 5 2HD1 LEU 5 1.346 11.110 2.663 42 3HD1 LEU 5 3HD1 LEU 5 1.256 9.489 1.931 43 1HD2 LEU 5 1HD2 LEU 5 1.820 10.137 6.022 44 2HD2 LEU 5 2HD2 LEU 5 1.789 11.426 4.795 45 3HD2 LEU 5 3HD2 LEU 5 0.269 10.854 5.521 46 H TYR 6 H TYR 6 0.507 5.324 4.597 47 HA TYR 6 HA TYR 6 3.396 5.239 4.823 48 1HB TYR 6 2HB TYR 6 2.204 4.335 6.973 49 2HB TYR 6 1HB TYR 6 1.504 3.091 5.958 50 HD1 TYR 6 1HD TYR 6 4.034 3.682 8.227 51 HD2 TYR 6 2HD TYR 6 3.429 1.889 4.391 52 HE1 TYR 6 1HE TYR 6 6.095 2.233 8.571 53 HE2 TYR 6 2HE TYR 6 5.492 0.446 4.747 54 HH TYR 6 HH TYR 6 7.356 0.683 7.767 55 H GLY 7 H GLY 7 4.201 4.401 2.963 56 1HA GLY 7 2HA GLY 7 4.345 3.229 1.051 57 2HA GLY 7 1HA GLY 7 3.198 2.087 1.722 58 H ASP 8 H ASP 8 3.179 5.528 0.524 59 HA ASP 8 HA ASP 8 0.531 5.075 -0.490 60 1HB ASP 8 2HB ASP 8 1.774 7.271 0.595 61 2HB ASP 8 1HB ASP 8 2.002 7.608 -1.109 62 H VAL 9 H VAL 9 0.011 5.414 -2.811 63 HA VAL 9 HA VAL 9 2.302 4.792 -4.517 64 HB VAL 9 HB VAL 9 -0.683 4.494 -4.889 65 1HG1 VAL 9 1HG1 VAL 9 -0.417 4.071 -7.078 66 2HG1 VAL 9 2HG1 VAL 9 1.147 4.904 -6.913 67 3HG1 VAL 9 3HG1 VAL 9 1.070 3.129 -6.811 68 1HG2 VAL 9 1HG2 VAL 9 1.559 2.556 -4.294 69 2HG2 VAL 9 2HG2 VAL 9 0.033 2.804 -3.413 70 3HG2 VAL 9 3HG2 VAL 9 0.019 2.024 -5.013 71 H ASN 10 H ASN 10 -0.700 6.845 -4.479 72 HA ASN 10 HA ASN 10 0.714 8.624 -6.294 73 1HB ASN 10 2HB ASN 10 -1.780 9.612 -6.399 74 2HB ASN 10 1HB ASN 10 -1.336 8.209 -7.349 75 1HD2 ASN 10 1HD2 ASN 10 -3.457 7.488 -7.383 76 2HD2 ASN 10 2HD2 ASN 10 -4.221 6.732 -6.023 77 H ASP 11 H ASP 11 1.016 8.373 -3.267 78 HA ASP 11 HA ASP 11 1.052 9.579 -1.459 79 1HB ASP 11 2HB ASP 11 1.723 11.905 -1.686 80 2HB ASP 11 1HB ASP 11 2.468 10.994 -2.985 81 H ASP 12 H ASP 12 -1.591 8.816 -2.226 82 HA ASP 12 HA ASP 12 -3.185 11.205 -1.909 83 1HB ASP 12 2HB ASP 12 -4.132 9.848 -3.577 84 2HB ASP 12 1HB ASP 12 -3.681 8.360 -2.770 85 H GLY 13 H GLY 13 -2.738 7.870 -0.510 86 1HA GLY 13 2HA GLY 13 -3.194 8.885 2.166 87 2HA GLY 13 1HA GLY 13 -4.441 7.811 1.564 88 H LYS 14 H LYS 14 -3.025 5.954 0.022 89 HA LYS 14 HA LYS 14 -0.666 5.009 1.098 90 1HB LYS 14 2HB LYS 14 -1.602 3.056 2.439 91 2HB LYS 14 1HB LYS 14 -1.608 4.628 3.211 92 1HG LYS 14 2HG LYS 14 -4.071 4.561 1.855 93 2HG LYS 14 1HG LYS 14 -3.883 2.919 2.437 94 1HD LYS 14 2HD LYS 14 -3.790 3.589 4.712 95 2HD LYS 14 1HD LYS 14 -3.330 5.233 4.314 96 1HE LYS 14 2HE LYS 14 -6.029 4.134 3.447 97 2HE LYS 14 1HE LYS 14 -5.804 4.758 5.069 98 1HZ LYS 14 1HZ LYS 14 -5.342 6.851 4.256 99 2HZ LYS 14 2HZ LYS 14 -4.993 6.335 2.746 100 3HZ LYS 14 3HZ LYS 14 -6.541 6.349 3.267 101 H VAL 15 H VAL 15 -0.336 2.603 0.447 102 HA VAL 15 HA VAL 15 -1.469 2.355 -2.198 103 HB VAL 15 HB VAL 15 0.935 2.099 -1.776 104 1HG1 VAL 15 1HG1 VAL 15 1.856 0.688 -0.270 105 2HG1 VAL 15 2HG1 VAL 15 0.246 0.745 0.486 106 3HG1 VAL 15 3HG1 VAL 15 0.673 -0.601 -0.596 107 1HG2 VAL 15 1HG2 VAL 15 1.116 0.655 -3.490 108 2HG2 VAL 15 2HG2 VAL 15 0.305 -0.653 -2.599 109 3HG2 VAL 15 3HG2 VAL 15 -0.662 0.587 -3.431 110 H ASN 16 H ASN 16 -3.444 1.434 -2.410 111 HA ASN 16 HA ASN 16 -3.818 -1.101 -1.103 112 1HB ASN 16 2HB ASN 16 -6.154 -0.413 -0.357 113 2HB ASN 16 1HB ASN 16 -4.869 0.388 0.525 114 1HD2 ASN 16 1HD2 ASN 16 -4.036 2.436 -0.689 115 2HD2 ASN 16 2HD2 ASN 16 -5.257 3.560 -1.185 116 H SER 17 H SER 17 -6.451 -1.636 -1.846 117 HA SER 17 HA SER 17 -6.303 -2.226 -4.466 118 1HB SER 17 2HB SER 17 -7.986 -3.277 -3.141 119 2HB SER 17 1HB SER 17 -8.679 -1.747 -2.641 120 HG SER 17 HG SER 17 -9.540 -1.429 -4.727 121 H THR 18 H THR 18 -6.984 0.875 -2.972 122 HA THR 18 HA THR 18 -8.381 2.032 -5.163 123 HB THR 18 HB THR 18 -6.815 3.255 -2.829 124 HG1 THR 18 1HG THR 18 -8.598 1.787 -2.277 125 1HG2 THR 18 1HG2 THR 18 -8.739 5.021 -3.202 126 2HG2 THR 18 2HG2 THR 18 -7.309 5.100 -4.258 127 3HG2 THR 18 3HG2 THR 18 -8.812 4.350 -4.849 128 H ASP 19 H ASP 19 -4.927 1.870 -4.170 129 HA ASP 19 HA ASP 19 -4.254 3.435 -6.489 130 1HB ASP 19 2HB ASP 19 -2.582 2.169 -4.270 131 2HB ASP 19 1HB ASP 19 -1.879 3.068 -5.598 132 H ALA 20 H ALA 20 -5.476 0.646 -6.633 133 HA ALA 20 HA ALA 20 -3.501 -1.249 -7.213 134 1HB ALA 20 1HB ALA 20 -6.438 -0.897 -7.789 135 2HB ALA 20 2HB ALA 20 -5.542 -2.214 -8.583 136 3HB ALA 20 3HB ALA 20 -5.616 -2.133 -6.806 137 H VAL 21 H VAL 21 -5.150 1.269 -9.173 138 HA VAL 21 HA VAL 21 -4.579 0.551 -11.690 139 HB VAL 21 HB VAL 21 -4.307 3.253 -10.369 140 1HG1 VAL 21 1HG1 VAL 21 -4.468 4.266 -12.566 141 2HG1 VAL 21 2HG1 VAL 21 -3.064 3.174 -12.521 142 3HG1 VAL 21 3HG1 VAL 21 -4.562 2.664 -13.337 143 1HG2 VAL 21 1HG2 VAL 21 -6.539 3.354 -10.420 144 2HG2 VAL 21 2HG2 VAL 21 -6.583 2.864 -12.130 145 3HG2 VAL 21 3HG2 VAL 21 -6.542 1.628 -10.851 146 H ALA 22 H ALA 22 -2.276 2.434 -9.593 147 HA ALA 22 HA ALA 22 -0.143 2.086 -11.417 148 1HB ALA 22 1HB ALA 22 0.717 3.702 -10.115 149 2HB ALA 22 2HB ALA 22 -0.730 3.588 -9.085 150 3HB ALA 22 3HB ALA 22 0.713 2.620 -8.702 151 H LEU 23 H LEU 23 -1.474 0.228 -8.697 152 HA LEU 23 HA LEU 23 0.756 -1.316 -8.107 153 1HB LEU 23 2HB LEU 23 -1.549 -1.054 -6.950 154 2HB LEU 23 1HB LEU 23 -2.059 -2.356 -8.006 155 HG LEU 23 HG LEU 23 0.255 -3.391 -6.952 156 1HD1 LEU 23 1HD1 LEU 23 0.365 -2.967 -4.611 157 2HD1 LEU 23 2HD1 LEU 23 0.396 -1.391 -5.439 158 3HD1 LEU 23 3HD1 LEU 23 -1.100 -1.958 -4.658 159 1HD2 LEU 23 1HD2 LEU 23 -1.105 -4.983 -6.008 160 2HD2 LEU 23 2HD2 LEU 23 -2.314 -3.795 -5.467 161 3HD2 LEU 23 3HD2 LEU 23 -2.217 -4.246 -7.186 162 H LYS 24 H LYS 24 -2.047 -2.136 -10.277 163 HA LYS 24 HA LYS 24 -1.110 -4.485 -11.252 164 1HB LYS 24 2HB LYS 24 -3.336 -3.423 -11.682 165 2HB LYS 24 1HB LYS 24 -2.574 -2.370 -12.857 166 1HG LYS 24 2HG LYS 24 -1.675 -4.965 -13.547 167 2HG LYS 24 1HG LYS 24 -3.361 -5.185 -13.125 168 1HD LYS 24 2HD LYS 24 -4.090 -3.562 -14.761 169 2HD LYS 24 1HD LYS 24 -2.463 -2.954 -14.994 170 1HE LYS 24 2HE LYS 24 -1.866 -4.683 -16.405 171 2HE LYS 24 1HE LYS 24 -2.786 -5.876 -15.512 172 1HZ LYS 24 1HZ LYS 24 -4.507 -3.999 -16.694 173 2HZ LYS 24 2HZ LYS 24 -3.524 -4.642 -17.829 174 3HZ LYS 24 3HZ LYS 24 -4.454 -5.617 -16.905 175 H ARG 25 H ARG 25 -0.303 -1.153 -12.405 176 HA ARG 25 HA ARG 25 1.280 -2.005 -14.498 177 1HB ARG 25 2HB ARG 25 0.968 0.533 -12.909 178 2HB ARG 25 1HB ARG 25 2.410 0.398 -13.895 179 1HG ARG 25 2HG ARG 25 1.237 0.747 -15.812 180 2HG ARG 25 1HG ARG 25 0.074 -0.499 -15.406 181 1HD ARG 25 2HD ARG 25 -0.965 1.237 -13.763 182 2HD ARG 25 1HD ARG 25 0.022 2.433 -14.579 183 HE ARG 25 HE ARG 25 -2.377 1.169 -15.626 184 1HH1 ARG 25 2HH2 ARG 25 0.701 2.589 -16.574 185 2HH1 ARG 25 1HH2 ARG 25 0.160 3.016 -18.163 186 1HH2 ARG 25 2HH1 ARG 25 -3.091 1.733 -17.723 187 2HH2 ARG 25 1HH1 ARG 25 -2.011 2.525 -18.821 188 H TYR 26 H TYR 26 1.885 -1.599 -11.008 189 HA TYR 26 HA TYR 26 4.720 -1.678 -11.198 190 1HB TYR 26 2HB TYR 26 2.956 -0.879 -9.340 191 2HB TYR 26 1HB TYR 26 2.943 -2.565 -8.865 192 HD1 TYR 26 1HD TYR 26 4.420 0.542 -8.236 193 HD2 TYR 26 2HD TYR 26 5.406 -3.611 -8.530 194 HE1 TYR 26 1HE TYR 26 6.484 0.924 -6.803 195 HE2 TYR 26 2HE TYR 26 7.468 -3.215 -7.096 196 HH TYR 26 HH TYR 26 7.883 -0.727 -5.188 197 H VAL 27 H VAL 27 2.136 -4.104 -10.459 198 HA VAL 27 HA VAL 27 3.865 -6.204 -9.868 199 HB VAL 27 HB VAL 27 1.123 -6.362 -11.126 200 1HG1 VAL 27 1HG1 VAL 27 2.351 -8.246 -9.104 201 2HG1 VAL 27 2HG1 VAL 27 0.934 -8.503 -10.151 202 3HG1 VAL 27 3HG1 VAL 27 2.567 -8.463 -10.858 203 1HG2 VAL 27 1HG2 VAL 27 1.812 -5.018 -8.757 204 2HG2 VAL 27 2HG2 VAL 27 0.186 -5.511 -9.287 205 3HG2 VAL 27 3HG2 VAL 27 1.143 -6.583 -8.235 206 H LEU 28 H LEU 28 2.369 -5.125 -12.980 207 HA LEU 28 HA LEU 28 3.373 -7.216 -14.521 208 1HB LEU 28 2HB LEU 28 1.980 -4.722 -14.893 209 2HB LEU 28 1HB LEU 28 3.215 -4.904 -16.123 210 HG LEU 28 HG LEU 28 2.168 -7.332 -16.355 211 1HD1 LEU 28 1HD1 LEU 28 0.221 -5.875 -14.695 212 2HD1 LEU 28 2HD1 LEU 28 -0.469 -6.671 -16.130 213 3HD1 LEU 28 3HD1 LEU 28 0.452 -7.624 -14.941 214 1HD2 LEU 28 1HD2 LEU 28 2.086 -6.229 -18.321 215 2HD2 LEU 28 2HD2 LEU 28 0.365 -6.054 -17.903 216 3HD2 LEU 28 3HD2 LEU 28 1.499 -4.720 -17.582 217 H ARG 29 H ARG 29 4.743 -3.989 -13.654 218 HA ARG 29 HA ARG 29 7.329 -4.995 -13.775 219 1HB ARG 29 2HB ARG 29 8.135 -3.526 -15.716 220 2HB ARG 29 1HB ARG 29 7.192 -4.926 -16.185 221 1HG ARG 29 2HG ARG 29 6.215 -3.193 -17.458 222 2HG ARG 29 1HG ARG 29 5.122 -3.331 -16.096 223 1HD ARG 29 2HD ARG 29 5.544 -1.187 -15.468 224 2HD ARG 29 1HD ARG 29 7.267 -1.502 -15.388 225 HE ARG 29 HE ARG 29 5.801 -0.320 -17.652 226 1HH1 ARG 29 2HH2 ARG 29 8.783 -1.856 -16.589 227 2HH1 ARG 29 1HH2 ARG 29 9.726 -1.221 -17.897 228 1HH2 ARG 29 2HH1 ARG 29 7.043 0.517 -19.376 229 2HH2 ARG 29 1HH1 ARG 29 8.730 0.137 -19.493 230 H SER 30 H SER 30 8.939 -2.848 -13.910 231 HA SER 30 HA SER 30 7.644 -0.961 -12.112 232 1HB SER 30 2HB SER 30 10.153 -2.360 -12.015 233 2HB SER 30 1HB SER 30 10.518 -0.654 -12.176 234 HG SER 30 HG SER 30 9.125 -0.236 -10.331 235 H GLY 31 H GLY 31 6.792 0.603 -13.522 236 1HA GLY 31 2HA GLY 31 8.787 2.041 -15.155 237 2HA GLY 31 1HA GLY 31 7.241 1.568 -15.831 238 H ILE 32 H ILE 32 5.412 2.036 -13.795 239 HA ILE 32 HA ILE 32 5.066 4.795 -13.964 240 HB ILE 32 HB ILE 32 3.291 4.372 -12.231 241 1HG1 ILE 32 2HG1 ILE 32 3.405 1.472 -12.531 242 2HG1 ILE 32 1HG1 ILE 32 4.802 2.093 -11.675 243 1HG2 ILE 32 1HG2 ILE 32 1.908 3.872 -13.913 244 2HG2 ILE 32 2HG2 ILE 32 3.369 3.855 -14.930 245 3HG2 ILE 32 3HG2 ILE 32 2.732 2.333 -14.261 246 1HD1 ILE 32 1HD1 ILE 32 3.346 1.916 -9.886 247 2HD1 ILE 32 2HD1 ILE 32 2.909 3.557 -10.419 248 3HD1 ILE 32 3HD1 ILE 32 1.904 2.169 -10.898 249 H SER 33 H SER 33 4.977 6.381 -12.160 250 HA SER 33 HA SER 33 7.260 5.910 -10.433 251 1HB SER 33 2HB SER 33 5.970 8.342 -11.634 252 2HB SER 33 1HB SER 33 6.750 8.543 -10.077 253 HG SER 33 HG SER 33 8.576 7.227 -11.326 254 H ILE 34 H ILE 34 6.906 5.461 -8.288 255 HA ILE 34 HA ILE 34 4.553 6.620 -7.025 256 HB ILE 34 HB ILE 34 3.808 4.556 -6.108 257 1HG1 ILE 34 2HG1 ILE 34 5.682 2.854 -7.681 258 2HG1 ILE 34 1HG1 ILE 34 6.335 3.646 -6.260 259 1HG2 ILE 34 1HG2 ILE 34 3.027 3.397 -8.109 260 2HG2 ILE 34 2HG2 ILE 34 2.946 5.162 -8.320 261 3HG2 ILE 34 3HG2 ILE 34 4.255 4.233 -9.090 262 1HD1 ILE 34 1HD1 ILE 34 4.490 1.379 -6.430 263 2HD1 ILE 34 2HD1 ILE 34 5.423 1.971 -5.033 264 3HD1 ILE 34 3HD1 ILE 34 3.830 2.675 -5.404 265 H ASN 35 H ASN 35 4.722 5.836 -4.508 266 HA ASN 35 HA ASN 35 7.405 6.662 -3.810 267 1HB ASN 35 2HB ASN 35 5.148 6.313 -1.810 268 2HB ASN 35 1HB ASN 35 6.481 7.448 -1.759 269 1HD2 ASN 35 1HD2 ASN 35 3.463 6.617 -3.365 270 2HD2 ASN 35 2HD2 ASN 35 3.057 8.199 -3.942 271 H THR 36 H THR 36 7.917 4.238 -4.524 272 HA THR 36 HA THR 36 7.030 2.137 -2.845 273 HB THR 36 HB THR 36 7.820 1.820 -5.180 274 HG1 THR 36 1HG THR 36 9.533 0.169 -4.465 275 1HG2 THR 36 1HG2 THR 36 9.626 3.289 -5.604 276 2HG2 THR 36 2HG2 THR 36 10.358 3.000 -4.008 277 3HG2 THR 36 3HG2 THR 36 10.483 1.763 -5.282 278 H ASP 37 H ASP 37 9.120 4.759 -2.249 279 HA ASP 37 HA ASP 37 11.229 3.879 -0.958 280 1HB ASP 37 2HB ASP 37 9.345 6.119 -0.579 281 2HB ASP 37 1HB ASP 37 10.168 5.699 0.909 282 H ASN 38 H ASN 38 8.180 4.588 0.915 283 HA ASN 38 HA ASN 38 8.902 2.360 2.645 284 1HB ASN 38 2HB ASN 38 7.065 3.658 4.136 285 2HB ASN 38 1HB ASN 38 8.744 4.161 4.124 286 1HD2 ASN 38 1HD2 ASN 38 5.667 5.212 3.917 287 2HD2 ASN 38 2HD2 ASN 38 5.859 6.691 3.036 288 H ALA 39 H ALA 39 7.736 1.405 0.423 289 HA ALA 39 HA ALA 39 4.850 1.302 0.962 290 1HB ALA 39 1HB ALA 39 5.630 2.209 -1.260 291 2HB ALA 39 2HB ALA 39 6.341 0.612 -1.599 292 3HB ALA 39 3HB ALA 39 4.582 0.776 -1.384 293 H ASP 40 H ASP 40 7.276 -0.849 -0.676 294 HA ASP 40 HA ASP 40 6.015 -3.165 -0.042 295 1HB ASP 40 2HB ASP 40 8.022 -2.768 -1.596 296 2HB ASP 40 1HB ASP 40 9.042 -2.803 -0.173 297 H LEU 41 H LEU 41 6.098 -4.607 1.770 298 HA LEU 41 HA LEU 41 7.841 -3.814 3.981 299 1HB LEU 41 2HB LEU 41 4.890 -4.414 4.228 300 2HB LEU 41 1HB LEU 41 5.999 -4.168 5.562 301 HG LEU 41 HG LEU 41 5.859 -1.977 3.558 302 1HD1 LEU 41 1HD1 LEU 41 3.451 -3.002 4.202 303 2HD1 LEU 41 2HD1 LEU 41 3.687 -1.896 5.576 304 3HD1 LEU 41 3HD1 LEU 41 3.743 -1.271 3.910 305 1HD2 LEU 41 1HD2 LEU 41 6.935 -0.935 5.190 306 2HD2 LEU 41 2HD2 LEU 41 5.519 -1.124 6.253 307 3HD2 LEU 41 3HD2 LEU 41 6.785 -2.374 6.226 308 H ASN 42 H ASN 42 5.623 -6.270 2.525 309 HA ASN 42 HA ASN 42 6.804 -8.327 4.091 310 1HB ASN 42 2HB ASN 42 5.339 -9.830 2.707 311 2HB ASN 42 1HB ASN 42 4.438 -8.493 3.396 312 1HD2 ASN 42 1HD2 ASN 42 3.225 -9.616 1.416 313 2HD2 ASN 42 2HD2 ASN 42 3.315 -8.728 -0.069 314 H GLU 43 H GLU 43 8.048 -6.499 1.675 315 HA GLU 43 HA GLU 43 9.683 -6.714 0.261 316 1HB GLU 43 2HB GLU 43 9.949 -9.510 1.443 317 2HB GLU 43 1HB GLU 43 11.076 -8.859 0.270 318 1HG GLU 43 2HG GLU 43 11.549 -6.932 1.806 319 2HG GLU 43 1HG GLU 43 10.438 -7.604 2.982 320 H ASP 44 H ASP 44 6.968 -7.179 -0.579 321 HA ASP 44 HA ASP 44 7.395 -9.188 -2.646 322 1HB ASP 44 2HB ASP 44 5.163 -9.758 -2.509 323 2HB ASP 44 1HB ASP 44 5.363 -9.158 -0.875 324 H GLY 45 H GLY 45 6.499 -5.837 -1.798 325 1HA GLY 45 2HA GLY 45 7.340 -4.397 -3.789 326 2HA GLY 45 1HA GLY 45 5.993 -5.160 -4.610 327 H ARG 46 H ARG 46 3.808 -5.102 -3.288 328 HA ARG 46 HA ARG 46 3.651 -2.739 -1.660 329 1HB ARG 46 2HB ARG 46 2.344 -3.051 -4.376 330 2HB ARG 46 1HB ARG 46 1.502 -2.143 -3.138 331 1HG ARG 46 2HG ARG 46 2.840 -0.343 -3.471 332 2HG ARG 46 1HG ARG 46 4.275 -1.302 -3.164 333 1HD ARG 46 2HD ARG 46 2.825 -1.047 -5.843 334 2HD ARG 46 1HD ARG 46 4.370 -0.328 -5.435 335 HE ARG 46 HE ARG 46 5.388 -2.520 -5.449 336 1HH1 ARG 46 2HH2 ARG 46 1.983 -2.562 -6.337 337 2HH1 ARG 46 1HH2 ARG 46 2.059 -4.135 -7.056 338 1HH2 ARG 46 2HH1 ARG 46 5.488 -4.596 -6.398 339 2HH2 ARG 46 1HH1 ARG 46 4.066 -5.301 -7.091 340 H VAL 47 H VAL 47 1.190 -4.643 -3.537 341 HA VAL 47 HA VAL 47 0.358 -5.931 -1.057 342 HB VAL 47 HB VAL 47 -2.049 -5.387 -1.846 343 1HG1 VAL 47 1HG1 VAL 47 -2.149 -3.517 -0.363 344 2HG1 VAL 47 2HG1 VAL 47 -0.872 -4.596 0.248 345 3HG1 VAL 47 3HG1 VAL 47 -0.436 -3.118 -0.644 346 1HG2 VAL 47 1HG2 VAL 47 -1.008 -4.259 -3.976 347 2HG2 VAL 47 2HG2 VAL 47 -2.438 -3.545 -3.192 348 3HG2 VAL 47 3HG2 VAL 47 -0.824 -2.853 -2.900 349 H ASN 48 H ASN 48 1.530 -7.698 -2.205 350 HA ASN 48 HA ASN 48 0.796 -8.570 -4.698 351 1HB ASN 48 2HB ASN 48 2.474 -9.450 -2.564 352 2HB ASN 48 1HB ASN 48 1.410 -10.803 -2.891 353 1HD2 ASN 48 1HD2 ASN 48 3.411 -8.366 -4.529 354 2HD2 ASN 48 2HD2 ASN 48 3.993 -9.377 -5.810 355 H SER 49 H SER 49 -0.396 -9.451 -1.383 356 HA SER 49 HA SER 49 -2.992 -9.789 -2.130 357 1HB SER 49 2HB SER 49 -1.587 -11.897 -3.213 358 2HB SER 49 1HB SER 49 -2.054 -12.579 -1.668 359 HG SER 49 HG SER 49 -3.626 -11.970 -3.901 360 H THR 50 H THR 50 -0.237 -10.848 -0.110 361 HA THR 50 HA THR 50 -1.968 -11.323 2.173 362 HB THR 50 HB THR 50 1.056 -11.493 1.712 363 HG1 THR 50 1HG THR 50 -1.103 -13.435 2.133 364 1HG2 THR 50 1HG2 THR 50 1.324 -12.179 3.897 365 2HG2 THR 50 2HG2 THR 50 -0.181 -11.276 4.195 366 3HG2 THR 50 3HG2 THR 50 -0.239 -13.031 3.906 367 H ASP 51 H ASP 51 0.342 -8.878 0.947 368 HA ASP 51 HA ASP 51 0.504 -7.460 3.322 369 1HB ASP 51 2HB ASP 51 1.452 -7.236 0.643 370 2HB ASP 51 1HB ASP 51 0.606 -5.735 0.963 371 H LEU 52 H LEU 52 -1.555 -7.091 0.344 372 HA LEU 52 HA LEU 52 -2.922 -4.831 0.959 373 1HB LEU 52 2HB LEU 52 -3.836 -5.377 -0.962 374 2HB LEU 52 1HB LEU 52 -3.136 -6.980 -0.855 375 HG LEU 52 HG LEU 52 -5.180 -7.655 0.509 376 1HD1 LEU 52 1HD1 LEU 52 -6.168 -5.698 1.254 377 2HD1 LEU 52 2HD1 LEU 52 -5.994 -4.882 -0.317 378 3HD1 LEU 52 3HD1 LEU 52 -7.214 -6.161 -0.110 379 1HD2 LEU 52 1HD2 LEU 52 -5.599 -6.806 -2.370 380 2HD2 LEU 52 2HD2 LEU 52 -4.841 -8.320 -1.821 381 3HD2 LEU 52 3HD2 LEU 52 -6.559 -8.008 -1.476 382 H GLY 53 H GLY 53 -3.675 -8.203 2.051 383 1HA GLY 53 2HA GLY 53 -5.992 -7.698 3.456 384 2HA GLY 53 1HA GLY 53 -4.818 -8.940 3.842 385 H ILE 54 H ILE 54 -2.650 -6.771 4.199 386 HA ILE 54 HA ILE 54 -3.341 -6.221 6.965 387 HB ILE 54 HB ILE 54 -1.003 -6.957 5.576 388 1HG1 ILE 54 2HG1 ILE 54 -1.543 -7.880 7.694 389 2HG1 ILE 54 1HG1 ILE 54 -0.052 -6.982 7.902 390 1HG2 ILE 54 1HG2 ILE 54 0.581 -5.216 6.462 391 2HG2 ILE 54 2HG2 ILE 54 -0.431 -4.697 5.094 392 3HG2 ILE 54 3HG2 ILE 54 -0.831 -4.171 6.746 393 1HD1 ILE 54 1HD1 ILE 54 -1.215 -6.161 9.727 394 2HD1 ILE 54 2HD1 ILE 54 -1.772 -4.990 8.506 395 3HD1 ILE 54 3HD1 ILE 54 -2.799 -6.375 8.945 396 H LEU 55 H LEU 55 -2.458 -4.533 3.904 397 HA LEU 55 HA LEU 55 -2.465 -1.961 5.032 398 1HB LEU 55 2HB LEU 55 -2.691 -3.050 2.241 399 2HB LEU 55 1HB LEU 55 -2.843 -1.333 2.557 400 HG LEU 55 HG LEU 55 -0.512 -2.020 3.907 401 1HD1 LEU 55 1HD1 LEU 55 -0.974 -4.148 2.184 402 2HD1 LEU 55 2HD1 LEU 55 0.183 -3.121 1.304 403 3HD1 LEU 55 3HD1 LEU 55 0.575 -3.703 2.939 404 1HD2 LEU 55 1HD2 LEU 55 -1.286 -0.120 2.176 405 2HD2 LEU 55 2HD2 LEU 55 0.414 -0.410 2.616 406 3HD2 LEU 55 3HD2 LEU 55 -0.240 -1.082 1.103 407 H LYS 56 H LYS 56 -4.974 -3.784 3.141 408 HA LYS 56 HA LYS 56 -6.924 -1.796 3.396 409 1HB LYS 56 2HB LYS 56 -8.355 -3.307 2.367 410 2HB LYS 56 1HB LYS 56 -6.780 -3.807 1.787 411 1HG LYS 56 2HG LYS 56 -6.676 -5.628 3.422 412 2HG LYS 56 1HG LYS 56 -8.123 -5.055 4.226 413 1HD LYS 56 2HD LYS 56 -8.486 -5.544 1.316 414 2HD LYS 56 1HD LYS 56 -8.066 -6.981 2.227 415 1HE LYS 56 2HE LYS 56 -10.038 -5.505 3.745 416 2HE LYS 56 1HE LYS 56 -10.613 -5.642 2.095 417 1HZ LYS 56 1HZ LYS 56 -9.535 -7.966 3.503 418 2HZ LYS 56 2HZ LYS 56 -11.100 -7.529 3.669 419 3HZ LYS 56 3HZ LYS 56 -10.516 -7.935 2.198 420 H ARG 57 H ARG 57 -5.410 -3.598 5.795 421 HA ARG 57 HA ARG 57 -7.788 -3.904 7.376 422 1HB ARG 57 2HB ARG 57 -5.162 -5.104 7.305 423 2HB ARG 57 1HB ARG 57 -5.364 -4.385 8.890 424 1HG ARG 57 2HG ARG 57 -7.783 -5.555 8.729 425 2HG ARG 57 1HG ARG 57 -6.953 -6.596 7.590 426 1HD ARG 57 2HD ARG 57 -5.476 -7.445 9.220 427 2HD ARG 57 1HD ARG 57 -5.617 -6.029 10.242 428 HE ARG 57 HE ARG 57 -7.451 -7.019 11.294 429 1HH1 ARG 57 2HH2 ARG 57 -6.987 -8.546 8.158 430 2HH1 ARG 57 1HH2 ARG 57 -8.212 -9.742 8.416 431 1HH2 ARG 57 2HH1 ARG 57 -9.068 -8.596 11.635 432 2HH2 ARG 57 1HH1 ARG 57 -9.404 -9.772 10.408 433 H TYR 58 H TYR 58 -4.631 -2.115 7.427 434 HA TYR 58 HA TYR 58 -5.539 -0.537 9.689 435 1HB TYR 58 2HB TYR 58 -3.215 -0.077 9.840 436 2HB TYR 58 1HB TYR 58 -3.138 -1.588 8.955 437 HD1 TYR 58 1HD TYR 58 -1.835 -1.659 7.036 438 HD2 TYR 58 2HD TYR 58 -3.487 2.090 8.269 439 HE1 TYR 58 1HE TYR 58 -0.598 -0.485 5.150 440 HE2 TYR 58 2HE TYR 58 -2.244 3.250 6.381 441 HH TYR 58 HH TYR 58 -1.228 2.850 4.384 442 H ILE 59 H ILE 59 -5.220 -0.354 6.166 443 HA ILE 59 HA ILE 59 -5.368 2.508 6.116 444 HB ILE 59 HB ILE 59 -5.204 2.321 3.806 445 1HG1 ILE 59 2HG1 ILE 59 -5.499 -0.436 3.179 446 2HG1 ILE 59 1HG1 ILE 59 -6.892 0.018 4.139 447 1HG2 ILE 59 1HG2 ILE 59 -3.642 0.004 3.786 448 2HG2 ILE 59 2HG2 ILE 59 -3.099 1.671 4.098 449 3HG2 ILE 59 3HG2 ILE 59 -3.545 0.610 5.456 450 1HD1 ILE 59 1HD1 ILE 59 -6.987 0.391 1.552 451 2HD1 ILE 59 2HD1 ILE 59 -7.573 1.696 2.612 452 3HD1 ILE 59 3HD1 ILE 59 -5.956 1.806 1.874 453 H LEU 60 H LEU 60 -7.538 0.214 7.077 454 HA LEU 60 HA LEU 60 -9.829 1.014 5.604 455 1HB LEU 60 2HB LEU 60 -9.135 -1.063 7.286 456 2HB LEU 60 1HB LEU 60 -10.281 -0.149 8.246 457 HG LEU 60 HG LEU 60 -10.985 -0.844 5.413 458 1HD1 LEU 60 1HD1 LEU 60 -11.991 -2.835 7.249 459 2HD1 LEU 60 2HD1 LEU 60 -11.096 -3.038 5.724 460 3HD1 LEU 60 3HD1 LEU 60 -10.212 -2.817 7.252 461 1HD2 LEU 60 1HD2 LEU 60 -12.339 0.677 6.992 462 2HD2 LEU 60 2HD2 LEU 60 -13.197 -0.604 6.105 463 3HD2 LEU 60 3HD2 LEU 60 -12.791 -0.831 7.823 464 H LYS 61 H LYS 61 -8.617 1.710 8.955 465 HA LYS 61 HA LYS 61 -9.320 4.394 8.848 466 1HB LYS 61 2HB LYS 61 -11.348 4.567 10.042 467 2HB LYS 61 1HB LYS 61 -11.643 3.399 8.770 468 1HG LYS 61 2HG LYS 61 -10.761 2.510 11.543 469 2HG LYS 61 1HG LYS 61 -12.449 2.818 11.187 470 1HD LYS 61 2HD LYS 61 -11.822 1.233 9.047 471 2HD LYS 61 1HD LYS 61 -10.672 0.609 10.215 472 1HE LYS 61 2HE LYS 61 -12.658 -0.714 10.494 473 2HE LYS 61 1HE LYS 61 -12.620 0.375 11.867 474 1HZ LYS 61 1HZ LYS 61 -13.971 1.408 9.562 475 2HZ LYS 61 2HZ LYS 61 -14.691 0.107 10.238 476 3HZ LYS 61 3HZ LYS 61 -14.414 1.444 11.133 477 H GLU 62 H GLU 62 -8.748 1.385 10.655 478 HA GLU 62 HA GLU 62 -8.043 2.689 13.044 479 1HB GLU 62 2HB GLU 62 -8.318 -0.012 12.081 480 2HB GLU 62 1HB GLU 62 -6.740 0.129 12.833 481 1HG GLU 62 2HG GLU 62 -8.070 1.380 14.762 482 2HG GLU 62 1HG GLU 62 -9.470 0.587 14.067 483 H ILE 63 H ILE 63 -6.659 3.070 10.128 484 HA ILE 63 HA ILE 63 -4.098 2.437 10.044 485 HB ILE 63 HB ILE 63 -4.992 3.783 8.358 486 1HG1 ILE 63 2HG1 ILE 63 -2.527 4.190 9.201 487 2HG1 ILE 63 1HG1 ILE 63 -3.214 5.141 7.899 488 1HG2 ILE 63 1HG2 ILE 63 -5.738 6.112 8.692 489 2HG2 ILE 63 2HG2 ILE 63 -6.711 4.940 9.614 490 3HG2 ILE 63 3HG2 ILE 63 -5.484 5.926 10.444 491 1HD1 ILE 63 1HD1 ILE 63 -2.007 6.409 9.827 492 2HD1 ILE 63 2HD1 ILE 63 -3.588 7.029 9.293 493 3HD1 ILE 63 3HD1 ILE 63 -3.470 6.061 10.781 494 H ASP 64 H ASP 64 -2.222 2.681 11.182 495 HA ASP 64 HA ASP 64 -1.379 4.723 12.615 496 1HB ASP 64 2HB ASP 64 -3.508 3.271 14.113 497 2HB ASP 64 1HB ASP 64 -2.038 3.536 15.030 498 H THR 65 H THR 65 -0.040 2.883 11.228 499 HA THR 65 HA THR 65 1.731 1.531 11.317 500 HB THR 65 HB THR 65 1.400 1.525 14.360 501 HG1 THR 65 1HG THR 65 1.441 3.662 13.049 502 1HG2 THR 65 1HG2 THR 65 4.100 1.824 13.421 503 2HG2 THR 65 2HG2 THR 65 3.412 0.447 14.314 504 3HG2 THR 65 3HG2 THR 65 3.390 0.455 12.534 505 H LEU 66 H LEU 66 0.199 0.108 10.186 506 HA LEU 66 HA LEU 66 -1.475 -1.691 11.251 507 1HB LEU 66 2HB LEU 66 -0.854 -3.177 9.359 508 2HB LEU 66 1HB LEU 66 -1.242 -1.526 8.918 509 HG LEU 66 HG LEU 66 0.805 -2.787 7.849 510 1HD1 LEU 66 1HD1 LEU 66 1.063 -0.798 6.908 511 2HD1 LEU 66 2HD1 LEU 66 0.075 -0.073 8.200 512 3HD1 LEU 66 3HD1 LEU 66 1.843 -0.170 8.379 513 1HD2 LEU 66 1HD2 LEU 66 2.912 -2.454 8.944 514 2HD2 LEU 66 2HD2 LEU 66 2.135 -1.580 10.287 515 3HD2 LEU 66 3HD2 LEU 66 1.828 -3.318 10.061 516 HA PRO 67 HA PRO 67 0.751 -4.486 13.669 517 1HB PRO 67 2HB PRO 67 -0.597 -6.837 13.319 518 2HB PRO 67 1HB PRO 67 -1.163 -5.556 14.373 519 1HG PRO 67 2HG PRO 67 -2.162 -6.335 11.703 520 2HG PRO 67 1HG PRO 67 -2.954 -5.371 12.932 521 1HD PRO 67 2HD PRO 67 -1.701 -4.407 10.539 522 2HD PRO 67 1HD PRO 67 -2.390 -3.437 11.825 523 H TYR 68 H TYR 68 0.692 -4.866 10.335 524 HA TYR 68 HA TYR 68 1.836 -6.254 8.957 525 1HB TYR 68 2HB TYR 68 3.339 -4.356 9.336 526 2HB TYR 68 1HB TYR 68 3.744 -4.912 10.948 527 HD1 TYR 68 1HD TYR 68 5.967 -5.526 11.126 528 HD2 TYR 68 2HD TYR 68 3.856 -6.475 7.528 529 HE1 TYR 68 1HE TYR 68 8.041 -6.671 10.204 530 HE2 TYR 68 2HE TYR 68 5.937 -7.618 6.618 531 HH TYR 68 HH TYR 68 8.222 -8.739 8.222 532 H LYS 69 H LYS 69 0.995 -8.355 9.638 533 HA LYS 69 HA LYS 69 2.828 -9.808 11.402 534 1HB LYS 69 2HB LYS 69 -0.055 -9.747 11.104 535 2HB LYS 69 1HB LYS 69 0.548 -11.377 10.876 536 1HG LYS 69 2HG LYS 69 2.010 -10.850 13.028 537 2HG LYS 69 1HG LYS 69 0.837 -9.577 13.298 538 1HD LYS 69 2HD LYS 69 -0.710 -11.866 12.643 539 2HD LYS 69 1HD LYS 69 0.552 -12.463 13.701 540 1HE LYS 69 2HE LYS 69 -0.135 -11.134 15.514 541 2HE LYS 69 1HE LYS 69 -0.856 -9.910 14.487 542 1HZ LYS 69 1HZ LYS 69 -2.094 -12.448 14.193 543 2HZ LYS 69 2HZ LYS 69 -2.183 -11.894 15.727 544 3HZ LYS 69 3HZ LYS 69 -2.769 -10.993 14.498 545 H ASN 70 H ASN 70 4.466 -10.688 10.234 546 HA ASN 70 HA ASN 70 4.426 -11.162 7.568 547 1HB ASN 70 2HB ASN 70 6.168 -11.693 9.781 548 2HB ASN 70 1HB ASN 70 6.010 -13.214 8.924 549 1HD2 ASN 70 1HD2 ASN 70 8.303 -12.830 8.531 550 2HD2 ASN 70 2HD2 ASN 70 8.795 -11.896 7.158 551 H GLY 71 H GLY 71 4.030 -13.594 10.266 552 1HA GLY 71 2HA GLY 71 2.441 -15.276 10.351 553 2HA GLY 71 1HA GLY 71 2.109 -15.079 8.642 Start of MODEL 11 1 H MET 1 H MET 1 -0.647 21.120 7.950 2 HA MET 1 HA MET 1 -3.271 20.444 6.911 3 1HB MET 1 2HB MET 1 -2.423 21.618 4.845 4 2HB MET 1 1HB MET 1 -2.319 22.643 6.262 5 1HG MET 1 2HG MET 1 0.113 21.007 5.896 6 2HG MET 1 1HG MET 1 -0.210 22.027 4.509 7 1HE MET 1 1HE MET 1 2.388 22.427 6.269 8 2HE MET 1 2HE MET 1 1.923 23.381 4.840 9 3HE MET 1 3HE MET 1 2.399 24.205 6.345 10 H SER 2 H SER 2 -1.904 18.191 7.763 11 HA SER 2 HA SER 2 -1.470 16.906 5.231 12 1HB SER 2 2HB SER 2 0.708 17.534 7.100 13 2HB SER 2 1HB SER 2 0.586 15.809 6.818 14 HG SER 2 HG SER 2 0.359 17.370 4.488 15 H THR 3 H THR 3 -1.414 14.444 5.526 16 HA THR 3 HA THR 3 -2.682 13.644 8.055 17 HB THR 3 HB THR 3 -3.587 13.058 5.189 18 HG1 THR 3 1HG THR 3 -4.724 14.255 7.618 19 1HG2 THR 3 1HG2 THR 3 -3.958 11.006 6.472 20 2HG2 THR 3 2HG2 THR 3 -4.518 11.938 7.881 21 3HG2 THR 3 3HG2 THR 3 -5.506 11.881 6.402 22 H LYS 4 H LYS 4 -1.912 11.811 8.963 23 HA LYS 4 HA LYS 4 0.517 10.809 8.190 24 1HB LYS 4 2HB LYS 4 -0.787 10.587 10.406 25 2HB LYS 4 1HB LYS 4 -1.539 9.178 9.684 26 1HG LYS 4 2HG LYS 4 0.323 8.232 10.768 27 2HG LYS 4 1HG LYS 4 0.916 8.418 9.129 28 1HD LYS 4 2HD LYS 4 2.125 10.448 9.697 29 2HD LYS 4 1HD LYS 4 1.335 10.560 11.258 30 1HE LYS 4 2HE LYS 4 2.891 8.048 10.644 31 2HE LYS 4 1HE LYS 4 3.797 9.506 10.998 32 1HZ LYS 4 1HZ LYS 4 3.422 8.482 13.029 33 2HZ LYS 4 2HZ LYS 4 2.318 9.685 13.004 34 3HZ LYS 4 3HZ LYS 4 1.856 8.146 12.714 35 H LEU 5 H LEU 5 1.215 8.884 7.116 36 HA LEU 5 HA LEU 5 -0.668 7.203 5.820 37 1HB LEU 5 2HB LEU 5 -0.581 7.871 3.642 38 2HB LEU 5 1HB LEU 5 -0.655 9.407 4.482 39 HG LEU 5 HG LEU 5 0.924 9.564 2.678 40 1HD1 LEU 5 1HD1 LEU 5 1.472 10.264 5.290 41 2HD1 LEU 5 2HD1 LEU 5 2.961 9.435 4.773 42 3HD1 LEU 5 3HD1 LEU 5 2.348 10.824 3.846 43 1HD2 LEU 5 1HD2 LEU 5 2.505 8.047 2.107 44 2HD2 LEU 5 2HD2 LEU 5 2.839 7.585 3.793 45 3HD2 LEU 5 3HD2 LEU 5 1.403 6.940 2.962 46 H TYR 6 H TYR 6 0.356 5.332 4.930 47 HA TYR 6 HA TYR 6 3.264 5.272 5.071 48 1HB TYR 6 2HB TYR 6 2.236 4.621 7.329 49 2HB TYR 6 1HB TYR 6 1.294 3.389 6.512 50 HD1 TYR 6 1HD TYR 6 2.078 1.342 7.319 51 HD2 TYR 6 2HD TYR 6 4.901 4.312 6.089 52 HE1 TYR 6 1HE TYR 6 3.976 -0.318 7.642 53 HE2 TYR 6 2HE TYR 6 6.790 2.642 6.417 54 HH TYR 6 HH TYR 6 6.385 -0.226 8.111 55 H GLY 7 H GLY 7 3.797 4.587 3.053 56 1HA GLY 7 2HA GLY 7 4.010 3.057 1.381 57 2HA GLY 7 1HA GLY 7 2.803 2.039 2.140 58 H ASP 8 H ASP 8 2.922 5.390 0.711 59 HA ASP 8 HA ASP 8 0.285 4.932 -0.340 60 1HB ASP 8 2HB ASP 8 1.979 7.235 0.320 61 2HB ASP 8 1HB ASP 8 1.291 7.414 -1.281 62 H VAL 9 H VAL 9 -0.165 5.196 -2.690 63 HA VAL 9 HA VAL 9 2.131 4.389 -4.298 64 HB VAL 9 HB VAL 9 -0.858 4.264 -4.687 65 1HG1 VAL 9 1HG1 VAL 9 -0.075 4.746 -6.863 66 2HG1 VAL 9 2HG1 VAL 9 1.371 3.727 -6.660 67 3HG1 VAL 9 3HG1 VAL 9 -0.235 2.973 -6.810 68 1HG2 VAL 9 1HG2 VAL 9 0.040 2.553 -3.212 69 2HG2 VAL 9 2HG2 VAL 9 -0.437 1.820 -4.762 70 3HG2 VAL 9 3HG2 VAL 9 1.281 2.125 -4.413 71 H ASN 10 H ASN 10 -0.748 6.601 -4.563 72 HA ASN 10 HA ASN 10 0.933 8.266 -6.259 73 1HB ASN 10 2HB ASN 10 -1.496 9.332 -6.687 74 2HB ASN 10 1HB ASN 10 -0.989 7.890 -7.542 75 1HD2 ASN 10 1HD2 ASN 10 -2.917 6.937 -7.811 76 2HD2 ASN 10 2HD2 ASN 10 -3.933 6.347 -6.538 77 H ASP 11 H ASP 11 0.932 8.131 -3.236 78 HA ASP 11 HA ASP 11 0.827 9.398 -1.474 79 1HB ASP 11 2HB ASP 11 1.058 11.603 -3.572 80 2HB ASP 11 1HB ASP 11 1.232 11.894 -1.853 81 H ASP 12 H ASP 12 -1.709 8.562 -2.115 82 HA ASP 12 HA ASP 12 -3.353 10.956 -2.123 83 1HB ASP 12 2HB ASP 12 -4.275 9.579 -3.751 84 2HB ASP 12 1HB ASP 12 -3.714 8.109 -2.980 85 H GLY 13 H GLY 13 -2.962 7.692 -0.553 86 1HA GLY 13 2HA GLY 13 -3.554 8.804 2.048 87 2HA GLY 13 1HA GLY 13 -4.800 7.743 1.423 88 H LYS 14 H LYS 14 -3.332 5.810 0.003 89 HA LYS 14 HA LYS 14 -1.080 4.849 1.313 90 1HB LYS 14 2HB LYS 14 -2.039 2.995 2.631 91 2HB LYS 14 1HB LYS 14 -2.440 4.570 3.287 92 1HG LYS 14 2HG LYS 14 -4.397 3.491 1.303 93 2HG LYS 14 1HG LYS 14 -4.284 2.587 2.800 94 1HD LYS 14 2HD LYS 14 -4.859 5.573 2.532 95 2HD LYS 14 1HD LYS 14 -6.002 4.335 3.017 96 1HE LYS 14 2HE LYS 14 -5.344 4.544 5.177 97 2HE LYS 14 1HE LYS 14 -3.707 4.097 4.741 98 1HZ LYS 14 1HZ LYS 14 -3.220 6.169 5.288 99 2HZ LYS 14 2HZ LYS 14 -3.916 6.643 3.890 100 3HZ LYS 14 3HZ LYS 14 -4.774 6.669 5.278 101 H VAL 15 H VAL 15 -0.700 2.449 0.681 102 HA VAL 15 HA VAL 15 -1.563 2.222 -2.071 103 HB VAL 15 HB VAL 15 0.790 1.981 -1.450 104 1HG1 VAL 15 1HG1 VAL 15 1.564 0.674 0.206 105 2HG1 VAL 15 2HG1 VAL 15 -0.129 0.589 0.747 106 3HG1 VAL 15 3HG1 VAL 15 0.542 -0.702 -0.279 107 1HG2 VAL 15 1HG2 VAL 15 0.218 -0.795 -2.276 108 2HG2 VAL 15 2HG2 VAL 15 -0.621 0.453 -3.229 109 3HG2 VAL 15 3HG2 VAL 15 1.155 0.480 -3.093 110 H ASN 16 H ASN 16 -3.470 1.249 -2.514 111 HA ASN 16 HA ASN 16 -3.929 -1.327 -1.402 112 1HB ASN 16 2HB ASN 16 -6.244 -0.730 -0.550 113 2HB ASN 16 1HB ASN 16 -4.955 -0.011 0.393 114 1HD2 ASN 16 1HD2 ASN 16 -4.193 2.177 -0.450 115 2HD2 ASN 16 2HD2 ASN 16 -5.418 3.327 -0.870 116 H SER 17 H SER 17 -6.586 -1.731 -2.180 117 HA SER 17 HA SER 17 -6.511 -2.124 -4.801 118 1HB SER 17 2HB SER 17 -8.332 -3.049 -3.590 119 2HB SER 17 1HB SER 17 -8.833 -1.491 -2.960 120 HG SER 17 HG SER 17 -10.262 -1.616 -4.569 121 H THR 18 H THR 18 -7.555 0.902 -3.131 122 HA THR 18 HA THR 18 -8.578 2.322 -5.227 123 HB THR 18 HB THR 18 -8.219 2.854 -2.662 124 HG1 THR 18 1HG THR 18 -9.156 4.652 -3.546 125 1HG2 THR 18 1HG2 THR 18 -6.398 4.415 -2.217 126 2HG2 THR 18 2HG2 THR 18 -5.662 2.940 -2.888 127 3HG2 THR 18 3HG2 THR 18 -5.880 4.375 -3.919 128 H ASP 19 H ASP 19 -5.130 1.662 -4.491 129 HA ASP 19 HA ASP 19 -4.472 3.163 -6.888 130 1HB ASP 19 2HB ASP 19 -2.601 1.967 -4.793 131 2HB ASP 19 1HB ASP 19 -2.148 3.081 -6.068 132 H ALA 20 H ALA 20 -5.783 0.471 -6.884 133 HA ALA 20 HA ALA 20 -3.865 -1.548 -7.287 134 1HB ALA 20 1HB ALA 20 -6.793 -1.178 -7.971 135 2HB ALA 20 2HB ALA 20 -5.903 -2.640 -8.458 136 3HB ALA 20 3HB ALA 20 -6.060 -2.227 -6.733 137 H VAL 21 H VAL 21 -4.784 1.212 -9.144 138 HA VAL 21 HA VAL 21 -4.297 0.044 -11.708 139 HB VAL 21 HB VAL 21 -4.697 2.840 -10.659 140 1HG1 VAL 21 1HG1 VAL 21 -3.071 2.841 -12.575 141 2HG1 VAL 21 2HG1 VAL 21 -4.339 2.098 -13.578 142 3HG1 VAL 21 3HG1 VAL 21 -4.586 3.721 -12.891 143 1HG2 VAL 21 1HG2 VAL 21 -6.351 1.010 -12.429 144 2HG2 VAL 21 2HG2 VAL 21 -6.701 1.486 -10.750 145 3HG2 VAL 21 3HG2 VAL 21 -6.759 2.700 -12.050 146 H ALA 22 H ALA 22 -2.546 2.518 -9.691 147 HA ALA 22 HA ALA 22 -0.231 2.401 -11.290 148 1HB ALA 22 1HB ALA 22 0.656 3.420 -8.949 149 2HB ALA 22 2HB ALA 22 -0.308 4.364 -10.111 150 3HB ALA 22 3HB ALA 22 -1.096 3.613 -8.702 151 H LEU 23 H LEU 23 -1.572 0.306 -8.854 152 HA LEU 23 HA LEU 23 0.955 -0.767 -8.026 153 1HB LEU 23 2HB LEU 23 -0.824 -0.708 -6.449 154 2HB LEU 23 1HB LEU 23 -1.919 -1.533 -7.539 155 HG LEU 23 HG LEU 23 -1.127 -2.982 -5.722 156 1HD1 LEU 23 1HD1 LEU 23 0.125 -4.113 -8.198 157 2HD1 LEU 23 2HD1 LEU 23 -0.944 -4.884 -7.001 158 3HD1 LEU 23 3HD1 LEU 23 -1.614 -3.737 -8.185 159 1HD2 LEU 23 1HD2 LEU 23 1.005 -2.274 -5.142 160 2HD2 LEU 23 2HD2 LEU 23 1.312 -3.817 -5.975 161 3HD2 LEU 23 3HD2 LEU 23 1.580 -2.278 -6.827 162 H LYS 24 H LYS 24 -1.890 -2.086 -9.873 163 HA LYS 24 HA LYS 24 -0.723 -4.425 -10.670 164 1HB LYS 24 2HB LYS 24 -3.133 -3.515 -10.953 165 2HB LYS 24 1HB LYS 24 -2.559 -2.846 -12.467 166 1HG LYS 24 2HG LYS 24 -2.381 -4.910 -13.472 167 2HG LYS 24 1HG LYS 24 -1.781 -5.684 -12.021 168 1HD LYS 24 2HD LYS 24 -3.904 -6.667 -12.238 169 2HD LYS 24 1HD LYS 24 -4.230 -5.368 -11.107 170 1HE LYS 24 2HE LYS 24 -4.570 -4.091 -13.558 171 2HE LYS 24 1HE LYS 24 -5.154 -5.705 -13.910 172 1HZ LYS 24 1HZ LYS 24 -6.256 -3.723 -12.163 173 2HZ LYS 24 2HZ LYS 24 -7.002 -4.922 -12.982 174 3HZ LYS 24 3HZ LYS 24 -6.277 -5.238 -11.553 175 H ARG 25 H ARG 25 -0.117 -1.118 -11.776 176 HA ARG 25 HA ARG 25 1.131 -1.898 -14.166 177 1HB ARG 25 2HB ARG 25 0.367 0.534 -12.899 178 2HB ARG 25 1HB ARG 25 2.105 0.653 -13.088 179 1HG ARG 25 2HG ARG 25 1.972 0.836 -15.365 180 2HG ARG 25 1HG ARG 25 0.778 -0.440 -15.494 181 1HD ARG 25 2HD ARG 25 -1.018 1.026 -15.338 182 2HD ARG 25 1HD ARG 25 -0.181 2.113 -14.249 183 HE ARG 25 HE ARG 25 0.983 2.079 -16.934 184 1HH1 ARG 25 2HH2 ARG 25 -1.515 3.504 -14.906 185 2HH1 ARG 25 1HH2 ARG 25 -1.661 4.935 -15.870 186 1HH2 ARG 25 2HH1 ARG 25 0.791 3.968 -18.206 187 2HH2 ARG 25 1HH1 ARG 25 -0.340 5.201 -17.761 188 H TYR 26 H TYR 26 2.133 -1.473 -10.776 189 HA TYR 26 HA TYR 26 4.945 -1.545 -11.424 190 1HB TYR 26 2HB TYR 26 3.814 -0.264 -9.503 191 2HB TYR 26 1HB TYR 26 3.321 -1.800 -8.816 192 HD1 TYR 26 1HD TYR 26 5.361 -3.522 -8.447 193 HD2 TYR 26 2HD TYR 26 5.725 0.736 -8.649 194 HE1 TYR 26 1HE TYR 26 7.549 -3.641 -7.158 195 HE2 TYR 26 2HE TYR 26 7.911 0.603 -7.358 196 HH TYR 26 HH TYR 26 9.727 -1.234 -7.081 197 H VAL 27 H VAL 27 2.411 -3.724 -10.072 198 HA VAL 27 HA VAL 27 4.229 -5.796 -9.444 199 HB VAL 27 HB VAL 27 1.681 -5.199 -8.799 200 1HG1 VAL 27 1HG1 VAL 27 0.152 -6.842 -9.739 201 2HG1 VAL 27 2HG1 VAL 27 0.844 -5.845 -11.042 202 3HG1 VAL 27 3HG1 VAL 27 1.446 -7.498 -10.770 203 1HG2 VAL 27 1HG2 VAL 27 3.552 -7.276 -8.273 204 2HG2 VAL 27 2HG2 VAL 27 2.178 -6.746 -7.274 205 3HG2 VAL 27 3HG2 VAL 27 1.957 -8.037 -8.479 206 H LEU 28 H LEU 28 2.340 -4.855 -12.333 207 HA LEU 28 HA LEU 28 2.939 -7.301 -13.696 208 1HB LEU 28 2HB LEU 28 0.867 -6.085 -14.078 209 2HB LEU 28 1HB LEU 28 1.759 -4.685 -14.637 210 HG LEU 28 HG LEU 28 2.665 -6.104 -16.517 211 1HD1 LEU 28 1HD1 LEU 28 1.161 -8.152 -15.068 212 2HD1 LEU 28 2HD1 LEU 28 0.763 -8.084 -16.801 213 3HD1 LEU 28 3HD1 LEU 28 2.451 -8.313 -16.284 214 1HD2 LEU 28 1HD2 LEU 28 -0.029 -6.308 -17.308 215 2HD2 LEU 28 2HD2 LEU 28 0.054 -4.934 -16.180 216 3HD2 LEU 28 3HD2 LEU 28 1.106 -4.972 -17.614 217 H ARG 29 H ARG 29 4.605 -4.358 -12.978 218 HA ARG 29 HA ARG 29 6.919 -5.203 -14.136 219 1HB ARG 29 2HB ARG 29 5.914 -4.833 -16.343 220 2HB ARG 29 1HB ARG 29 5.370 -3.231 -15.885 221 1HG ARG 29 2HG ARG 29 8.324 -3.916 -15.764 222 2HG ARG 29 1HG ARG 29 7.588 -3.500 -17.299 223 1HD ARG 29 2HD ARG 29 6.657 -1.542 -15.439 224 2HD ARG 29 1HD ARG 29 8.366 -1.737 -15.108 225 HE ARG 29 HE ARG 29 7.166 -0.694 -17.589 226 1HH1 ARG 29 2HH2 ARG 29 10.064 -1.962 -16.046 227 2HH1 ARG 29 1HH2 ARG 29 11.141 -1.266 -17.210 228 1HH2 ARG 29 2HH1 ARG 29 8.587 0.224 -19.124 229 2HH2 ARG 29 1HH1 ARG 29 10.296 -0.015 -18.972 230 H SER 30 H SER 30 8.387 -4.162 -12.822 231 HA SER 30 HA SER 30 7.587 -1.929 -11.334 232 1HB SER 30 2HB SER 30 9.981 -1.956 -10.537 233 2HB SER 30 1HB SER 30 9.160 -3.497 -10.379 234 HG SER 30 HG SER 30 10.954 -4.182 -11.383 235 H GLY 31 H GLY 31 6.961 -0.471 -13.167 236 1HA GLY 31 2HA GLY 31 9.332 0.930 -14.248 237 2HA GLY 31 1HA GLY 31 7.920 0.581 -15.226 238 H ILE 32 H ILE 32 5.837 1.055 -13.305 239 HA ILE 32 HA ILE 32 5.552 3.811 -13.568 240 HB ILE 32 HB ILE 32 3.724 2.181 -13.405 241 1HG1 ILE 32 2HG1 ILE 32 3.759 4.506 -11.474 242 2HG1 ILE 32 1HG1 ILE 32 3.141 4.468 -13.113 243 1HG2 ILE 32 1HG2 ILE 32 3.442 1.995 -10.571 244 2HG2 ILE 32 2HG2 ILE 32 3.611 0.690 -11.771 245 3HG2 ILE 32 3HG2 ILE 32 5.059 1.401 -11.017 246 1HD1 ILE 32 1HD1 ILE 32 1.108 3.961 -12.255 247 2HD1 ILE 32 2HD1 ILE 32 1.769 2.378 -11.778 248 3HD1 ILE 32 3HD1 ILE 32 1.800 3.738 -10.630 249 H SER 33 H SER 33 5.400 5.471 -11.862 250 HA SER 33 HA SER 33 7.496 4.990 -9.915 251 1HB SER 33 2HB SER 33 7.844 7.352 -9.868 252 2HB SER 33 1HB SER 33 7.604 6.951 -11.557 253 HG SER 33 HG SER 33 5.366 7.633 -11.346 254 H ILE 34 H ILE 34 6.926 4.643 -7.799 255 HA ILE 34 HA ILE 34 4.585 6.002 -6.761 256 HB ILE 34 HB ILE 34 3.520 4.048 -5.945 257 1HG1 ILE 34 2HG1 ILE 34 5.399 2.160 -7.306 258 2HG1 ILE 34 1HG1 ILE 34 5.893 2.851 -5.772 259 1HG2 ILE 34 1HG2 ILE 34 2.984 4.726 -8.244 260 2HG2 ILE 34 2HG2 ILE 34 4.231 3.615 -8.859 261 3HG2 ILE 34 3HG2 ILE 34 2.807 2.972 -8.005 262 1HD1 ILE 34 1HD1 ILE 34 3.226 2.137 -5.305 263 2HD1 ILE 34 2HD1 ILE 34 3.841 0.817 -6.328 264 3HD1 ILE 34 3HD1 ILE 34 4.659 1.211 -4.797 265 H ASN 35 H ASN 35 4.577 6.082 -4.401 266 HA ASN 35 HA ASN 35 7.176 6.377 -3.425 267 1HB ASN 35 2HB ASN 35 4.771 6.099 -1.596 268 2HB ASN 35 1HB ASN 35 6.131 7.193 -1.447 269 1HD2 ASN 35 1HD2 ASN 35 3.181 6.469 -3.207 270 2HD2 ASN 35 2HD2 ASN 35 2.875 8.056 -3.831 271 H THR 36 H THR 36 7.609 3.917 -4.139 272 HA THR 36 HA THR 36 6.565 1.888 -2.434 273 HB THR 36 HB THR 36 7.377 1.626 -4.838 274 HG1 THR 36 1HG THR 36 7.592 -0.423 -4.034 275 1HG2 THR 36 1HG2 THR 36 9.679 2.917 -3.988 276 2HG2 THR 36 2HG2 THR 36 10.158 1.209 -3.840 277 3HG2 THR 36 3HG2 THR 36 9.605 1.846 -5.407 278 H ASP 37 H ASP 37 8.641 4.423 -1.767 279 HA ASP 37 HA ASP 37 10.782 3.438 -0.535 280 1HB ASP 37 2HB ASP 37 9.034 5.777 -0.204 281 2HB ASP 37 1HB ASP 37 9.760 5.319 1.323 282 H ASN 38 H ASN 38 7.583 4.069 1.119 283 HA ASN 38 HA ASN 38 8.288 1.912 2.952 284 1HB ASN 38 2HB ASN 38 6.418 3.285 4.371 285 2HB ASN 38 1HB ASN 38 8.124 3.675 4.458 286 1HD2 ASN 38 1HD2 ASN 38 5.246 5.032 4.296 287 2HD2 ASN 38 2HD2 ASN 38 5.548 6.466 3.373 288 H ALA 39 H ALA 39 7.072 1.263 0.513 289 HA ALA 39 HA ALA 39 4.203 1.115 1.086 290 1HB ALA 39 1HB ALA 39 5.121 2.068 -1.104 291 2HB ALA 39 2HB ALA 39 5.644 0.412 -1.493 292 3HB ALA 39 3HB ALA 39 3.915 0.767 -1.259 293 H ASP 40 H ASP 40 6.993 -0.912 -0.066 294 HA ASP 40 HA ASP 40 5.588 -3.296 0.186 295 1HB ASP 40 2HB ASP 40 7.540 -3.330 -1.173 296 2HB ASP 40 1HB ASP 40 8.518 -2.533 0.044 297 H LEU 41 H LEU 41 5.559 -4.845 1.936 298 HA LEU 41 HA LEU 41 7.038 -4.161 4.342 299 1HB LEU 41 2HB LEU 41 4.056 -4.610 4.420 300 2HB LEU 41 1HB LEU 41 5.115 -4.235 5.765 301 HG LEU 41 HG LEU 41 4.829 -2.311 3.464 302 1HD1 LEU 41 1HD1 LEU 41 2.745 -3.078 5.348 303 2HD1 LEU 41 2HD1 LEU 41 3.150 -1.349 5.457 304 3HD1 LEU 41 3HD1 LEU 41 2.661 -2.052 3.897 305 1HD2 LEU 41 1HD2 LEU 41 5.178 -0.731 5.529 306 2HD2 LEU 41 2HD2 LEU 41 5.832 -2.204 6.286 307 3HD2 LEU 41 3HD2 LEU 41 6.558 -1.575 4.786 308 H ASN 42 H ASN 42 6.747 -6.251 2.012 309 HA ASN 42 HA ASN 42 6.997 -8.483 3.827 310 1HB ASN 42 2HB ASN 42 5.335 -8.684 1.266 311 2HB ASN 42 1HB ASN 42 5.540 -9.928 2.482 312 1HD2 ASN 42 1HD2 ASN 42 3.927 -10.175 3.811 313 2HD2 ASN 42 2HD2 ASN 42 2.797 -8.972 4.337 314 H GLU 43 H GLU 43 8.448 -6.547 1.719 315 HA GLU 43 HA GLU 43 10.163 -6.691 0.394 316 1HB GLU 43 2HB GLU 43 10.427 -8.990 1.990 317 2HB GLU 43 1HB GLU 43 10.643 -9.590 0.358 318 1HG GLU 43 2HG GLU 43 12.361 -7.806 -0.059 319 2HG GLU 43 1HG GLU 43 12.161 -7.240 1.587 320 H ASP 44 H ASP 44 7.711 -6.579 -0.828 321 HA ASP 44 HA ASP 44 8.103 -8.387 -3.081 322 1HB ASP 44 2HB ASP 44 5.375 -7.251 -2.596 323 2HB ASP 44 1HB ASP 44 5.825 -8.822 -3.230 324 H GLY 45 H GLY 45 7.121 -5.194 -1.765 325 1HA GLY 45 2HA GLY 45 8.118 -3.376 -3.225 326 2HA GLY 45 1HA GLY 45 7.117 -4.058 -4.490 327 H ARG 46 H ARG 46 4.701 -4.627 -3.380 328 HA ARG 46 HA ARG 46 3.922 -2.394 -1.758 329 1HB ARG 46 2HB ARG 46 2.823 -2.866 -4.571 330 2HB ARG 46 1HB ARG 46 2.013 -1.853 -3.394 331 1HG ARG 46 2HG ARG 46 3.282 -0.183 -4.324 332 2HG ARG 46 1HG ARG 46 4.524 -0.784 -3.244 333 1HD ARG 46 2HD ARG 46 5.203 -0.506 -5.717 334 2HD ARG 46 1HD ARG 46 5.595 -2.046 -4.977 335 HE ARG 46 HE ARG 46 3.381 -1.555 -6.917 336 1HH1 ARG 46 2HH2 ARG 46 5.283 -3.812 -5.001 337 2HH1 ARG 46 1HH2 ARG 46 4.708 -5.211 -5.845 338 1HH2 ARG 46 2HH1 ARG 46 2.622 -3.401 -8.031 339 2HH2 ARG 46 1HH1 ARG 46 3.184 -4.976 -7.580 340 H VAL 47 H VAL 47 1.864 -4.333 -3.993 341 HA VAL 47 HA VAL 47 1.091 -6.060 -1.774 342 HB VAL 47 HB VAL 47 -1.229 -5.633 -2.054 343 1HG1 VAL 47 1HG1 VAL 47 0.391 -3.081 -1.833 344 2HG1 VAL 47 2HG1 VAL 47 -1.357 -3.162 -1.512 345 3HG1 VAL 47 3HG1 VAL 47 -0.225 -4.110 -0.518 346 1HG2 VAL 47 1HG2 VAL 47 -2.054 -5.024 -4.034 347 2HG2 VAL 47 2HG2 VAL 47 -1.409 -3.388 -3.766 348 3HG2 VAL 47 3HG2 VAL 47 -0.429 -4.601 -4.624 349 H ASN 48 H ASN 48 0.537 -8.145 -2.425 350 HA ASN 48 HA ASN 48 0.718 -8.549 -5.308 351 1HB ASN 48 2HB ASN 48 2.134 -9.794 -3.066 352 2HB ASN 48 1HB ASN 48 1.242 -11.014 -3.952 353 1HD2 ASN 48 1HD2 ASN 48 3.347 -8.194 -4.447 354 2HD2 ASN 48 2HD2 ASN 48 4.232 -8.810 -5.803 355 H SER 49 H SER 49 -0.660 -9.656 -2.145 356 HA SER 49 HA SER 49 -3.202 -9.972 -3.158 357 1HB SER 49 2HB SER 49 -1.768 -12.035 -4.135 358 2HB SER 49 1HB SER 49 -2.131 -12.721 -2.564 359 HG SER 49 HG SER 49 -3.869 -12.118 -4.725 360 H THR 50 H THR 50 -0.668 -10.963 -0.832 361 HA THR 50 HA THR 50 -2.690 -11.195 1.277 362 HB THR 50 HB THR 50 0.251 -12.000 1.020 363 HG1 THR 50 1HG THR 50 -2.374 -13.273 1.346 364 1HG2 THR 50 1HG2 THR 50 0.157 -12.893 3.237 365 2HG2 THR 50 2HG2 THR 50 -0.547 -11.268 3.415 366 3HG2 THR 50 3HG2 THR 50 -1.610 -12.693 3.331 367 H ASP 51 H ASP 51 -0.125 -9.115 0.038 368 HA ASP 51 HA ASP 51 0.386 -7.747 2.387 369 1HB ASP 51 2HB ASP 51 0.967 -7.497 -0.453 370 2HB ASP 51 1HB ASP 51 0.543 -5.920 0.181 371 H LEU 52 H LEU 52 -1.712 -6.882 -0.476 372 HA LEU 52 HA LEU 52 -2.811 -4.582 0.426 373 1HB LEU 52 2HB LEU 52 -4.186 -4.775 -1.322 374 2HB LEU 52 1HB LEU 52 -3.131 -6.111 -1.733 375 HG LEU 52 HG LEU 52 -5.437 -6.751 -2.046 376 1HD1 LEU 52 1HD1 LEU 52 -5.154 -8.404 0.299 377 2HD1 LEU 52 2HD1 LEU 52 -4.939 -8.820 -1.419 378 3HD1 LEU 52 3HD1 LEU 52 -3.573 -8.167 -0.484 379 1HD2 LEU 52 1HD2 LEU 52 -5.926 -5.185 0.233 380 2HD2 LEU 52 2HD2 LEU 52 -7.107 -6.094 -0.741 381 3HD2 LEU 52 3HD2 LEU 52 -6.361 -6.850 0.688 382 H GLY 53 H GLY 53 -3.573 -7.930 1.436 383 1HA GLY 53 2HA GLY 53 -5.944 -7.527 2.790 384 2HA GLY 53 1HA GLY 53 -4.718 -8.709 3.206 385 H ILE 54 H ILE 54 -2.569 -6.731 3.740 386 HA ILE 54 HA ILE 54 -3.361 -6.104 6.430 387 HB ILE 54 HB ILE 54 -1.057 -6.942 5.305 388 1HG1 ILE 54 2HG1 ILE 54 -1.624 -7.099 7.661 389 2HG1 ILE 54 1HG1 ILE 54 -0.005 -6.454 7.465 390 1HG2 ILE 54 1HG2 ILE 54 -0.575 -4.881 4.150 391 2HG2 ILE 54 2HG2 ILE 54 -0.762 -3.947 5.653 392 3HG2 ILE 54 3HG2 ILE 54 0.588 -5.094 5.481 393 1HD1 ILE 54 1HD1 ILE 54 -2.163 -5.284 8.896 394 2HD1 ILE 54 2HD1 ILE 54 -0.566 -4.566 8.579 395 3HD1 ILE 54 3HD1 ILE 54 -1.918 -4.263 7.460 396 H LEU 55 H LEU 55 -2.335 -4.304 3.459 397 HA LEU 55 HA LEU 55 -2.422 -1.770 4.511 398 1HB LEU 55 2HB LEU 55 -2.847 -2.926 1.783 399 2HB LEU 55 1HB LEU 55 -3.131 -1.217 2.049 400 HG LEU 55 HG LEU 55 -0.913 -1.506 1.197 401 1HD1 LEU 55 1HD1 LEU 55 -1.471 0.018 3.312 402 2HD1 LEU 55 2HD1 LEU 55 -0.243 -1.031 4.060 403 3HD1 LEU 55 3HD1 LEU 55 0.161 -0.084 2.608 404 1HD2 LEU 55 1HD2 LEU 55 0.622 -3.062 1.830 405 2HD2 LEU 55 2HD2 LEU 55 0.064 -3.098 3.520 406 3HD2 LEU 55 3HD2 LEU 55 -0.862 -3.947 2.259 407 H LYS 56 H LYS 56 -5.101 -3.448 2.708 408 HA LYS 56 HA LYS 56 -7.005 -1.507 3.272 409 1HB LYS 56 2HB LYS 56 -8.501 -2.922 2.244 410 2HB LYS 56 1HB LYS 56 -6.983 -3.497 1.586 411 1HG LYS 56 2HG LYS 56 -7.578 -5.559 2.334 412 2HG LYS 56 1HG LYS 56 -7.216 -4.976 3.947 413 1HD LYS 56 2HD LYS 56 -9.710 -3.987 3.784 414 2HD LYS 56 1HD LYS 56 -9.896 -5.249 2.582 415 1HE LYS 56 2HE LYS 56 -8.676 -6.705 4.536 416 2HE LYS 56 1HE LYS 56 -9.445 -5.493 5.541 417 1HZ LYS 56 1HZ LYS 56 -11.368 -6.185 3.784 418 2HZ LYS 56 2HZ LYS 56 -10.627 -7.611 4.077 419 3HZ LYS 56 3HZ LYS 56 -11.239 -6.739 5.315 420 H ARG 57 H ARG 57 -5.400 -3.701 5.369 421 HA ARG 57 HA ARG 57 -7.622 -3.889 7.166 422 1HB ARG 57 2HB ARG 57 -5.051 -5.234 6.786 423 2HB ARG 57 1HB ARG 57 -5.227 -4.752 8.461 424 1HG ARG 57 2HG ARG 57 -7.294 -5.975 8.707 425 2HG ARG 57 1HG ARG 57 -7.465 -6.186 6.975 426 1HD ARG 57 2HD ARG 57 -5.792 -7.850 6.868 427 2HD ARG 57 1HD ARG 57 -4.995 -7.294 8.327 428 HE ARG 57 HE ARG 57 -7.513 -8.103 9.204 429 1HH1 ARG 57 2HH2 ARG 57 -4.887 -9.638 7.436 430 2HH1 ARG 57 1HH2 ARG 57 -5.248 -11.227 8.025 431 1HH2 ARG 57 2HH1 ARG 57 -7.990 -10.198 9.982 432 2HH2 ARG 57 1HH1 ARG 57 -7.025 -11.547 9.483 433 H TYR 58 H TYR 58 -4.182 -2.683 7.347 434 HA TYR 58 HA TYR 58 -4.616 -1.255 9.741 435 1HB TYR 58 2HB TYR 58 -2.308 -1.215 9.462 436 2HB TYR 58 1HB TYR 58 -2.539 -2.033 7.930 437 HD1 TYR 58 1HD TYR 58 -1.559 -1.053 6.077 438 HD2 TYR 58 2HD TYR 58 -2.840 1.458 9.295 439 HE1 TYR 58 1HE TYR 58 -0.650 0.985 4.858 440 HE2 TYR 58 2HE TYR 58 -1.926 3.487 8.066 441 HH TYR 58 HH TYR 58 -0.994 4.231 6.268 442 H ILE 59 H ILE 59 -5.183 -0.541 6.329 443 HA ILE 59 HA ILE 59 -5.342 2.306 6.858 444 HB ILE 59 HB ILE 59 -5.479 2.590 4.547 445 1HG1 ILE 59 2HG1 ILE 59 -5.628 0.119 3.286 446 2HG1 ILE 59 1HG1 ILE 59 -6.790 -0.027 4.589 447 1HG2 ILE 59 1HG2 ILE 59 -3.580 0.485 5.464 448 2HG2 ILE 59 2HG2 ILE 59 -3.705 0.785 3.715 449 3HG2 ILE 59 3HG2 ILE 59 -3.272 2.114 4.818 450 1HD1 ILE 59 1HD1 ILE 59 -8.096 1.781 3.818 451 2HD1 ILE 59 2HD1 ILE 59 -6.748 2.483 2.893 452 3HD1 ILE 59 3HD1 ILE 59 -7.562 1.014 2.303 453 H LEU 60 H LEU 60 -7.242 -0.292 7.571 454 HA LEU 60 HA LEU 60 -9.739 0.521 6.534 455 1HB LEU 60 2HB LEU 60 -9.137 -1.768 7.268 456 2HB LEU 60 1HB LEU 60 -9.103 -1.209 8.929 457 HG LEU 60 HG LEU 60 -11.625 -0.540 7.625 458 1HD1 LEU 60 1HD1 LEU 60 -12.104 -3.237 7.969 459 2HD1 LEU 60 2HD1 LEU 60 -11.933 -2.387 6.414 460 3HD1 LEU 60 3HD1 LEU 60 -10.528 -3.206 7.139 461 1HD2 LEU 60 1HD2 LEU 60 -12.402 -1.984 9.662 462 2HD2 LEU 60 2HD2 LEU 60 -10.696 -1.862 10.153 463 3HD2 LEU 60 3HD2 LEU 60 -11.665 -0.386 9.924 464 H LYS 61 H LYS 61 -7.818 1.344 9.425 465 HA LYS 61 HA LYS 61 -9.104 3.754 9.815 466 1HB LYS 61 2HB LYS 61 -11.121 2.853 10.497 467 2HB LYS 61 1HB LYS 61 -10.382 1.455 11.252 468 1HG LYS 61 2HG LYS 61 -9.936 4.267 12.331 469 2HG LYS 61 1HG LYS 61 -11.320 3.309 12.816 470 1HD LYS 61 2HD LYS 61 -9.166 1.524 13.096 471 2HD LYS 61 1HD LYS 61 -8.494 3.055 13.623 472 1HE LYS 61 2HE LYS 61 -9.901 3.209 15.463 473 2HE LYS 61 1HE LYS 61 -11.235 2.414 14.651 474 1HZ LYS 61 1HZ LYS 61 -8.807 1.048 15.584 475 2HZ LYS 61 2HZ LYS 61 -10.241 1.046 16.365 476 3HZ LYS 61 3HZ LYS 61 -10.107 0.331 14.903 477 H GLU 62 H GLU 62 -7.382 0.926 11.145 478 HA GLU 62 HA GLU 62 -6.267 2.180 13.330 479 1HB GLU 62 2HB GLU 62 -5.416 -0.155 11.596 480 2HB GLU 62 1HB GLU 62 -4.389 0.385 12.908 481 1HG GLU 62 2HG GLU 62 -7.319 -0.049 13.494 482 2HG GLU 62 1HG GLU 62 -6.305 -1.464 13.287 483 H ILE 63 H ILE 63 -5.871 2.884 10.018 484 HA ILE 63 HA ILE 63 -3.342 3.348 9.442 485 HB ILE 63 HB ILE 63 -5.071 4.011 7.973 486 1HG1 ILE 63 2HG1 ILE 63 -2.808 5.313 8.093 487 2HG1 ILE 63 1HG1 ILE 63 -4.089 5.862 7.030 488 1HG2 ILE 63 1HG2 ILE 63 -6.874 4.691 9.260 489 2HG2 ILE 63 2HG2 ILE 63 -5.905 5.855 10.196 490 3HG2 ILE 63 3HG2 ILE 63 -6.340 6.212 8.506 491 1HD1 ILE 63 1HD1 ILE 63 -2.821 7.464 8.863 492 2HD1 ILE 63 2HD1 ILE 63 -4.461 7.773 8.242 493 3HD1 ILE 63 3HD1 ILE 63 -4.241 6.942 9.801 494 H ASP 64 H ASP 64 -1.584 4.159 10.440 495 HA ASP 64 HA ASP 64 -1.157 6.530 11.399 496 1HB ASP 64 2HB ASP 64 -2.830 6.714 13.026 497 2HB ASP 64 1HB ASP 64 -2.793 5.004 13.411 498 H THR 65 H THR 65 -1.176 3.205 12.900 499 HA THR 65 HA THR 65 1.767 3.347 12.992 500 HB THR 65 HB THR 65 0.768 3.511 15.259 501 HG1 THR 65 1HG THR 65 2.549 2.187 15.459 502 1HG2 THR 65 1HG2 THR 65 -0.222 0.829 15.554 503 2HG2 THR 65 2HG2 THR 65 -1.124 2.346 15.785 504 3HG2 THR 65 3HG2 THR 65 -1.098 1.559 14.188 505 H LEU 66 H LEU 66 -1.167 1.492 12.240 506 HA LEU 66 HA LEU 66 -1.471 -0.325 11.024 507 1HB LEU 66 2HB LEU 66 -0.384 0.470 9.194 508 2HB LEU 66 1HB LEU 66 1.146 0.659 10.027 509 HG LEU 66 HG LEU 66 0.256 -2.142 9.677 510 1HD1 LEU 66 1HD1 LEU 66 -0.425 -1.779 7.547 511 2HD1 LEU 66 2HD1 LEU 66 0.530 -0.287 7.371 512 3HD1 LEU 66 3HD1 LEU 66 1.325 -1.874 7.235 513 1HD2 LEU 66 1HD2 LEU 66 2.787 -1.957 8.697 514 2HD2 LEU 66 2HD2 LEU 66 2.754 -0.580 9.824 515 3HD2 LEU 66 3HD2 LEU 66 2.377 -2.218 10.409 516 HA PRO 67 HA PRO 67 0.222 -3.057 14.052 517 1HB PRO 67 2HB PRO 67 -1.989 -4.646 14.295 518 2HB PRO 67 1HB PRO 67 -1.731 -3.206 15.262 519 1HG PRO 67 2HG PRO 67 -3.563 -3.599 12.976 520 2HG PRO 67 1HG PRO 67 -3.589 -2.347 14.202 521 1HD PRO 67 2HD PRO 67 -2.667 -2.084 11.499 522 2HD PRO 67 1HD PRO 67 -2.587 -0.867 12.757 523 H TYR 68 H TYR 68 1.484 -3.339 11.845 524 HA TYR 68 HA TYR 68 0.984 -5.199 10.032 525 1HB TYR 68 2HB TYR 68 3.515 -5.738 10.318 526 2HB TYR 68 1HB TYR 68 3.135 -4.032 10.189 527 HD1 TYR 68 1HD TYR 68 4.122 -6.725 12.522 528 HD2 TYR 68 2HD TYR 68 3.486 -2.522 12.040 529 HE1 TYR 68 1HE TYR 68 5.306 -6.287 14.729 530 HE2 TYR 68 2HE TYR 68 4.674 -2.097 14.248 531 HH TYR 68 HH TYR 68 5.099 -4.259 16.510 532 H LYS 69 H LYS 69 1.281 -7.491 9.733 533 HA LYS 69 HA LYS 69 1.930 -9.192 11.875 534 1HB LYS 69 2HB LYS 69 -0.405 -8.265 12.515 535 2HB LYS 69 1HB LYS 69 -1.014 -9.283 11.226 536 1HG LYS 69 2HG LYS 69 0.797 -10.920 12.696 537 2HG LYS 69 1HG LYS 69 -0.127 -10.045 13.901 538 1HD LYS 69 2HD LYS 69 -2.243 -10.817 12.946 539 2HD LYS 69 1HD LYS 69 -1.425 -11.512 11.561 540 1HE LYS 69 2HE LYS 69 -0.996 -13.441 12.687 541 2HE LYS 69 1HE LYS 69 -0.262 -12.571 14.020 542 1HZ LYS 69 1HZ LYS 69 -2.332 -12.301 15.027 543 2HZ LYS 69 2HZ LYS 69 -3.170 -12.725 13.692 544 3HZ LYS 69 3HZ LYS 69 -2.329 -13.853 14.521 545 H ASN 70 H ASN 70 2.677 -11.051 10.975 546 HA ASN 70 HA ASN 70 3.005 -11.361 8.357 547 1HB ASN 70 2HB ASN 70 3.338 -12.972 10.687 548 2HB ASN 70 1HB ASN 70 2.461 -13.986 9.558 549 1HD2 ASN 70 1HD2 ASN 70 5.326 -12.002 10.029 550 2HD2 ASN 70 2HD2 ASN 70 6.331 -12.744 8.830 551 H GLY 71 H GLY 71 0.279 -12.648 10.386 552 1HA GLY 71 2HA GLY 71 -1.799 -13.322 9.865 553 2HA GLY 71 1HA GLY 71 -1.679 -12.351 8.411 Start of MODEL 12 1 H MET 1 H MET 1 0.208 13.904 1.269 2 HA MET 1 HA MET 1 1.043 15.911 1.529 3 1HB MET 1 2HB MET 1 -1.516 16.789 0.094 4 2HB MET 1 1HB MET 1 -0.329 17.952 0.646 5 1HG MET 1 2HG MET 1 1.381 17.060 -0.811 6 2HG MET 1 1HG MET 1 0.456 15.607 -1.136 7 1HE MET 1 1HE MET 1 -1.773 15.584 -1.908 8 2HE MET 1 2HE MET 1 -2.733 17.071 -2.097 9 3HE MET 1 3HE MET 1 -2.064 16.256 -3.530 10 H SER 2 H SER 2 0.377 14.984 3.797 11 HA SER 2 HA SER 2 -0.422 17.095 5.342 12 1HB SER 2 2HB SER 2 -2.676 15.778 4.195 13 2HB SER 2 1HB SER 2 -2.628 15.273 5.873 14 HG SER 2 HG SER 2 -3.838 17.214 5.705 15 H THR 3 H THR 3 -1.517 13.642 5.609 16 HA THR 3 HA THR 3 0.731 12.688 6.951 17 HB THR 3 HB THR 3 -0.414 14.535 8.565 18 HG1 THR 3 1HG THR 3 1.238 13.464 9.582 19 1HG2 THR 3 1HG2 THR 3 -1.599 12.040 9.751 20 2HG2 THR 3 2HG2 THR 3 -2.113 13.733 9.939 21 3HG2 THR 3 3HG2 THR 3 -2.545 12.830 8.467 22 H LYS 4 H LYS 4 -0.166 10.708 8.525 23 HA LYS 4 HA LYS 4 -1.049 8.687 8.447 24 1HB LYS 4 2HB LYS 4 -3.373 10.296 7.382 25 2HB LYS 4 1HB LYS 4 -3.483 8.561 7.604 26 1HG LYS 4 2HG LYS 4 -3.430 8.705 9.915 27 2HG LYS 4 1HG LYS 4 -2.340 10.078 9.916 28 1HD LYS 4 2HD LYS 4 -4.333 11.465 8.992 29 2HD LYS 4 1HD LYS 4 -5.343 10.095 9.410 30 1HE LYS 4 2HE LYS 4 -4.291 10.251 11.787 31 2HE LYS 4 1HE LYS 4 -3.677 11.815 11.291 32 1HZ LYS 4 1HZ LYS 4 -5.650 12.586 11.848 33 2HZ LYS 4 2HZ LYS 4 -6.293 11.823 10.555 34 3HZ LYS 4 3HZ LYS 4 -6.302 11.098 12.019 35 H LEU 5 H LEU 5 0.408 7.625 7.116 36 HA LEU 5 HA LEU 5 -0.582 6.672 4.680 37 1HB LEU 5 2HB LEU 5 0.461 7.837 3.048 38 2HB LEU 5 1HB LEU 5 0.149 9.132 4.188 39 HG LEU 5 HG LEU 5 2.788 7.655 4.068 40 1HD1 LEU 5 1HD1 LEU 5 3.662 9.166 2.548 41 2HD1 LEU 5 2HD1 LEU 5 2.028 8.880 1.904 42 3HD1 LEU 5 3HD1 LEU 5 2.373 10.361 2.828 43 1HD2 LEU 5 1HD2 LEU 5 3.359 10.116 5.012 44 2HD2 LEU 5 2HD2 LEU 5 1.701 9.926 5.631 45 3HD2 LEU 5 3HD2 LEU 5 2.949 8.727 6.048 46 H TYR 6 H TYR 6 0.349 4.704 4.360 47 HA TYR 6 HA TYR 6 3.007 4.292 5.534 48 1HB TYR 6 2HB TYR 6 1.392 3.354 7.115 49 2HB TYR 6 1HB TYR 6 0.350 2.793 5.822 50 HD1 TYR 6 1HD TYR 6 3.461 2.112 7.692 51 HD2 TYR 6 2HD TYR 6 0.738 0.669 4.724 52 HE1 TYR 6 1HE TYR 6 4.530 -0.192 7.819 53 HE2 TYR 6 2HE TYR 6 1.816 -1.629 4.861 54 HH TYR 6 HH TYR 6 4.149 -2.380 7.334 55 H GLY 7 H GLY 7 4.076 4.252 3.534 56 1HA GLY 7 2HA GLY 7 4.884 3.255 1.686 57 2HA GLY 7 1HA GLY 7 3.974 1.816 2.101 58 H ASP 8 H ASP 8 2.710 5.148 1.482 59 HA ASP 8 HA ASP 8 0.608 4.254 -0.031 60 1HB ASP 8 2HB ASP 8 1.111 6.589 1.047 61 2HB ASP 8 1HB ASP 8 1.948 6.953 -0.449 62 H VAL 9 H VAL 9 0.238 4.507 -2.424 63 HA VAL 9 HA VAL 9 2.661 3.868 -3.891 64 HB VAL 9 HB VAL 9 -0.294 3.649 -4.408 65 1HG1 VAL 9 1HG1 VAL 9 0.428 2.602 -6.642 66 2HG1 VAL 9 2HG1 VAL 9 0.435 4.377 -6.524 67 3HG1 VAL 9 3HG1 VAL 9 1.964 3.472 -6.409 68 1HG2 VAL 9 1HG2 VAL 9 1.509 1.933 -3.237 69 2HG2 VAL 9 2HG2 VAL 9 -0.031 1.455 -3.991 70 3HG2 VAL 9 3HG2 VAL 9 1.483 1.362 -4.923 71 H ASN 10 H ASN 10 -0.226 6.045 -4.322 72 HA ASN 10 HA ASN 10 1.342 7.639 -6.112 73 1HB ASN 10 2HB ASN 10 -0.880 9.033 -6.105 74 2HB ASN 10 1HB ASN 10 -0.922 7.434 -6.821 75 1HD2 ASN 10 1HD2 ASN 10 -3.095 7.173 -6.467 76 2HD2 ASN 10 2HD2 ASN 10 -3.790 6.883 -4.907 77 H ASP 11 H ASP 11 0.669 7.403 -2.738 78 HA ASP 11 HA ASP 11 1.279 8.617 -1.039 79 1HB ASP 11 2HB ASP 11 3.059 9.498 -2.897 80 2HB ASP 11 1HB ASP 11 2.182 10.994 -2.646 81 H ASP 12 H ASP 12 -1.365 8.719 -1.779 82 HA ASP 12 HA ASP 12 -2.019 11.556 -1.614 83 1HB ASP 12 2HB ASP 12 -4.004 11.150 -2.854 84 2HB ASP 12 1HB ASP 12 -2.784 10.200 -3.679 85 H GLY 13 H GLY 13 -2.547 8.202 -0.468 86 1HA GLY 13 2HA GLY 13 -3.692 9.232 2.014 87 2HA GLY 13 1HA GLY 13 -4.694 8.148 1.069 88 H LYS 14 H LYS 14 -3.459 6.056 0.256 89 HA LYS 14 HA LYS 14 -1.252 5.155 1.728 90 1HB LYS 14 2HB LYS 14 -2.555 3.390 3.063 91 2HB LYS 14 1HB LYS 14 -2.492 5.023 3.696 92 1HG LYS 14 2HG LYS 14 -4.760 4.636 1.847 93 2HG LYS 14 1HG LYS 14 -4.818 3.527 3.202 94 1HD LYS 14 2HD LYS 14 -4.912 5.277 4.806 95 2HD LYS 14 1HD LYS 14 -4.243 6.462 3.702 96 1HE LYS 14 2HE LYS 14 -6.655 5.462 2.497 97 2HE LYS 14 1HE LYS 14 -7.026 5.808 4.176 98 1HZ LYS 14 1HZ LYS 14 -5.487 7.894 3.294 99 2HZ LYS 14 2HZ LYS 14 -6.551 7.610 2.087 100 3HZ LYS 14 3HZ LYS 14 -7.092 7.915 3.599 101 H VAL 15 H VAL 15 -0.765 2.847 1.211 102 HA VAL 15 HA VAL 15 -1.611 2.318 -1.476 103 HB VAL 15 HB VAL 15 0.676 2.014 -0.956 104 1HG1 VAL 15 1HG1 VAL 15 -0.355 0.517 1.432 105 2HG1 VAL 15 2HG1 VAL 15 1.242 0.097 0.765 106 3HG1 VAL 15 3HG1 VAL 15 0.918 1.756 1.323 107 1HG2 VAL 15 1HG2 VAL 15 -0.752 0.136 -2.239 108 2HG2 VAL 15 2HG2 VAL 15 1.009 0.018 -2.005 109 3HG2 VAL 15 3HG2 VAL 15 -0.093 -0.865 -0.922 110 H ASN 16 H ASN 16 -3.477 1.291 -1.957 111 HA ASN 16 HA ASN 16 -4.089 -1.107 -0.559 112 1HB ASN 16 2HB ASN 16 -6.404 -0.395 0.095 113 2HB ASN 16 1HB ASN 16 -5.183 0.524 0.951 114 1HD2 ASN 16 1HD2 ASN 16 -4.421 2.539 -0.264 115 2HD2 ASN 16 2HD2 ASN 16 -5.651 3.558 -0.935 116 H SER 17 H SER 17 -6.669 -1.595 -1.480 117 HA SER 17 HA SER 17 -6.352 -2.206 -4.082 118 1HB SER 17 2HB SER 17 -8.143 -3.251 -2.955 119 2HB SER 17 1HB SER 17 -8.795 -1.734 -2.366 120 HG SER 17 HG SER 17 -10.059 -1.678 -4.082 121 H THR 18 H THR 18 -7.061 0.916 -2.656 122 HA THR 18 HA THR 18 -8.292 2.082 -4.945 123 HB THR 18 HB THR 18 -6.870 3.305 -2.521 124 HG1 THR 18 1HG THR 18 -8.646 2.094 -1.795 125 1HG2 THR 18 1HG2 THR 18 -7.626 5.344 -3.238 126 2HG2 THR 18 2HG2 THR 18 -7.917 4.586 -4.821 127 3HG2 THR 18 3HG2 THR 18 -9.228 4.673 -3.622 128 H ASP 19 H ASP 19 -4.935 1.632 -3.828 129 HA ASP 19 HA ASP 19 -4.023 3.331 -5.965 130 1HB ASP 19 2HB ASP 19 -2.726 1.862 -3.653 131 2HB ASP 19 1HB ASP 19 -1.724 2.407 -4.984 132 H ALA 20 H ALA 20 -5.482 0.692 -6.411 133 HA ALA 20 HA ALA 20 -3.570 -1.256 -7.160 134 1HB ALA 20 1HB ALA 20 -5.709 -2.085 -8.463 135 2HB ALA 20 2HB ALA 20 -5.682 -2.121 -6.684 136 3HB ALA 20 3HB ALA 20 -6.527 -0.806 -7.535 137 H VAL 21 H VAL 21 -5.184 1.496 -8.778 138 HA VAL 21 HA VAL 21 -4.757 0.899 -11.398 139 HB VAL 21 HB VAL 21 -4.546 3.518 -9.909 140 1HG1 VAL 21 1HG1 VAL 21 -4.096 4.640 -11.795 141 2HG1 VAL 21 2HG1 VAL 21 -3.639 3.071 -12.499 142 3HG1 VAL 21 3HG1 VAL 21 -5.287 3.705 -12.729 143 1HG2 VAL 21 1HG2 VAL 21 -6.855 3.727 -11.182 144 2HG2 VAL 21 2HG2 VAL 21 -6.772 1.948 -11.161 145 3HG2 VAL 21 3HG2 VAL 21 -6.735 2.858 -9.633 146 H ALA 22 H ALA 22 -2.454 2.739 -9.261 147 HA ALA 22 HA ALA 22 -0.374 2.610 -11.164 148 1HB ALA 22 1HB ALA 22 0.987 3.287 -9.069 149 2HB ALA 22 2HB ALA 22 -0.309 4.384 -9.604 150 3HB ALA 22 3HB ALA 22 -0.577 3.298 -8.220 151 H LEU 23 H LEU 23 -1.713 0.335 -8.891 152 HA LEU 23 HA LEU 23 0.678 -1.143 -8.465 153 1HB LEU 23 2HB LEU 23 -1.449 -1.016 -7.036 154 2HB LEU 23 1HB LEU 23 -2.139 -2.161 -8.169 155 HG LEU 23 HG LEU 23 0.158 -3.459 -7.578 156 1HD1 LEU 23 1HD1 LEU 23 -0.560 -1.977 -5.033 157 2HD1 LEU 23 2HD1 LEU 23 0.631 -3.290 -5.194 158 3HD1 LEU 23 3HD1 LEU 23 0.911 -1.732 -6.006 159 1HD2 LEU 23 1HD2 LEU 23 -2.293 -4.180 -7.446 160 2HD2 LEU 23 2HD2 LEU 23 -1.144 -4.957 -6.330 161 3HD2 LEU 23 3HD2 LEU 23 -2.225 -3.672 -5.742 162 H LYS 24 H LYS 24 -2.331 -1.856 -10.385 163 HA LYS 24 HA LYS 24 -1.557 -4.094 -11.637 164 1HB LYS 24 2HB LYS 24 -3.720 -2.702 -11.832 165 2HB LYS 24 1HB LYS 24 -2.924 -1.867 -13.150 166 1HG LYS 24 2HG LYS 24 -3.356 -3.585 -14.563 167 2HG LYS 24 1HG LYS 24 -2.519 -4.709 -13.511 168 1HD LYS 24 2HD LYS 24 -4.681 -4.731 -12.071 169 2HD LYS 24 1HD LYS 24 -5.458 -3.912 -13.412 170 1HE LYS 24 2HE LYS 24 -3.919 -6.512 -13.807 171 2HE LYS 24 1HE LYS 24 -5.609 -6.508 -13.346 172 1HZ LYS 24 1HZ LYS 24 -6.055 -6.241 -15.470 173 2HZ LYS 24 2HZ LYS 24 -5.394 -4.748 -15.430 174 3HZ LYS 24 3HZ LYS 24 -4.485 -6.032 -15.867 175 H ARG 25 H ARG 25 -0.492 -0.744 -12.397 176 HA ARG 25 HA ARG 25 0.928 -1.560 -14.681 177 1HB ARG 25 2HB ARG 25 0.577 0.938 -13.078 178 2HB ARG 25 1HB ARG 25 2.106 0.831 -13.928 179 1HG ARG 25 2HG ARG 25 1.123 0.991 -16.009 180 2HG ARG 25 1HG ARG 25 -0.269 0.034 -15.546 181 1HD ARG 25 2HD ARG 25 -1.465 1.958 -15.376 182 2HD ARG 25 1HD ARG 25 -0.483 2.398 -13.994 183 HE ARG 25 HE ARG 25 0.700 3.915 -15.336 184 1HH1 ARG 25 2HH2 ARG 25 -1.095 1.695 -17.394 185 2HH1 ARG 25 1HH2 ARG 25 -0.750 2.566 -18.851 186 1HH2 ARG 25 2HH1 ARG 25 1.156 5.063 -17.258 187 2HH2 ARG 25 1HH1 ARG 25 0.539 4.493 -18.773 188 H TYR 26 H TYR 26 1.749 -0.889 -11.227 189 HA TYR 26 HA TYR 26 4.536 -1.188 -11.542 190 1HB TYR 26 2HB TYR 26 3.192 -0.077 -9.652 191 2HB TYR 26 1HB TYR 26 2.621 -1.663 -9.172 192 HD1 TYR 26 1HD TYR 26 4.604 -3.437 -8.735 193 HD2 TYR 26 2HD TYR 26 4.992 0.818 -8.495 194 HE1 TYR 26 1HE TYR 26 6.630 -3.699 -7.220 195 HE2 TYR 26 2HE TYR 26 7.016 0.540 -6.981 196 HH TYR 26 HH TYR 26 8.743 -1.193 -6.588 197 H VAL 27 H VAL 27 1.836 -3.459 -11.022 198 HA VAL 27 HA VAL 27 3.475 -5.613 -10.182 199 HB VAL 27 HB VAL 27 0.725 -5.657 -11.438 200 1HG1 VAL 27 1HG1 VAL 27 2.350 -7.775 -10.831 201 2HG1 VAL 27 2HG1 VAL 27 1.426 -7.590 -9.321 202 3HG1 VAL 27 3HG1 VAL 27 0.570 -7.831 -10.864 203 1HG2 VAL 27 1HG2 VAL 27 0.971 -5.779 -8.492 204 2HG2 VAL 27 2HG2 VAL 27 1.361 -4.204 -9.223 205 3HG2 VAL 27 3HG2 VAL 27 -0.228 -4.951 -9.514 206 H LEU 28 H LEU 28 1.921 -4.701 -13.334 207 HA LEU 28 HA LEU 28 2.878 -6.846 -14.789 208 1HB LEU 28 2HB LEU 28 1.215 -4.845 -15.290 209 2HB LEU 28 1HB LEU 28 2.636 -4.152 -16.047 210 HG LEU 28 HG LEU 28 2.214 -6.927 -16.859 211 1HD1 LEU 28 1HD1 LEU 28 -0.075 -5.009 -17.020 212 2HD1 LEU 28 2HD1 LEU 28 0.232 -6.100 -18.393 213 3HD1 LEU 28 3HD1 LEU 28 -0.068 -6.772 -16.771 214 1HD2 LEU 28 1HD2 LEU 28 3.483 -4.708 -17.845 215 2HD2 LEU 28 2HD2 LEU 28 3.125 -6.189 -18.766 216 3HD2 LEU 28 3HD2 LEU 28 2.027 -4.791 -18.868 217 H ARG 29 H ARG 29 4.509 -3.964 -13.558 218 HA ARG 29 HA ARG 29 6.989 -5.047 -13.943 219 1HB ARG 29 2HB ARG 29 7.922 -3.669 -15.782 220 2HB ARG 29 1HB ARG 29 6.604 -4.661 -16.375 221 1HG ARG 29 2HG ARG 29 5.870 -2.669 -17.263 222 2HG ARG 29 1HG ARG 29 5.176 -2.455 -15.668 223 1HD ARG 29 2HD ARG 29 6.459 -0.609 -15.357 224 2HD ARG 29 1HD ARG 29 7.906 -1.587 -15.492 225 HE ARG 29 HE ARG 29 6.635 -0.828 -18.053 226 1HH1 ARG 29 2HH2 ARG 29 9.126 -0.136 -15.667 227 2HH1 ARG 29 1HH2 ARG 29 10.084 0.813 -16.754 228 1HH2 ARG 29 2HH1 ARG 29 7.898 0.423 -19.489 229 2HH2 ARG 29 1HH1 ARG 29 9.381 1.133 -18.942 230 H SER 30 H SER 30 8.769 -3.127 -13.754 231 HA SER 30 HA SER 30 7.610 -1.279 -11.833 232 1HB SER 30 2HB SER 30 10.222 -2.699 -12.076 233 2HB SER 30 1HB SER 30 10.328 -1.049 -11.493 234 HG SER 30 HG SER 30 10.008 -2.246 -9.649 235 H GLY 31 H GLY 31 6.862 0.302 -13.382 236 1HA GLY 31 2HA GLY 31 9.062 1.832 -14.625 237 2HA GLY 31 1HA GLY 31 7.611 1.428 -15.521 238 H ILE 32 H ILE 32 5.644 1.716 -13.440 239 HA ILE 32 HA ILE 32 5.166 4.452 -13.605 240 HB ILE 32 HB ILE 32 3.449 2.734 -13.354 241 1HG1 ILE 32 2HG1 ILE 32 3.375 4.749 -11.091 242 2HG1 ILE 32 1HG1 ILE 32 3.034 5.127 -12.768 243 1HG2 ILE 32 1HG2 ILE 32 3.835 1.105 -11.879 244 2HG2 ILE 32 2HG2 ILE 32 4.971 2.099 -10.938 245 3HG2 ILE 32 3HG2 ILE 32 3.219 2.238 -10.653 246 1HD1 ILE 32 1HD1 ILE 32 1.099 4.410 -11.019 247 2HD1 ILE 32 2HD1 ILE 32 0.997 4.033 -12.755 248 3HD1 ILE 32 3HD1 ILE 32 1.553 2.792 -11.604 249 H SER 33 H SER 33 4.995 6.037 -11.807 250 HA SER 33 HA SER 33 7.306 5.700 -10.091 251 1HB SER 33 2HB SER 33 5.837 8.048 -11.253 252 2HB SER 33 1HB SER 33 6.620 8.287 -9.703 253 HG SER 33 HG SER 33 8.229 6.951 -11.573 254 H ILE 34 H ILE 34 6.994 5.175 -7.959 255 HA ILE 34 HA ILE 34 4.687 6.253 -6.589 256 HB ILE 34 HB ILE 34 3.766 4.216 -5.894 257 1HG1 ILE 34 2HG1 ILE 34 5.734 2.503 -7.367 258 2HG1 ILE 34 1HG1 ILE 34 6.198 3.159 -5.809 259 1HG2 ILE 34 1HG2 ILE 34 3.116 3.113 -7.998 260 2HG2 ILE 34 2HG2 ILE 34 3.055 4.888 -8.116 261 3HG2 ILE 34 3HG2 ILE 34 4.408 3.993 -8.848 262 1HD1 ILE 34 1HD1 ILE 34 3.570 2.240 -5.388 263 2HD1 ILE 34 2HD1 ILE 34 4.317 0.998 -6.422 264 3HD1 ILE 34 3HD1 ILE 34 5.068 1.433 -4.867 265 H ASN 35 H ASN 35 4.882 5.936 -4.196 266 HA ASN 35 HA ASN 35 7.470 6.545 -3.417 267 1HB ASN 35 2HB ASN 35 5.353 5.446 -1.520 268 2HB ASN 35 1HB ASN 35 6.565 6.667 -1.187 269 1HD2 ASN 35 1HD2 ASN 35 3.573 5.939 -2.857 270 2HD2 ASN 35 2HD2 ASN 35 3.013 7.563 -3.076 271 H THR 36 H THR 36 8.563 4.563 -4.441 272 HA THR 36 HA THR 36 8.060 1.987 -3.332 273 HB THR 36 HB THR 36 8.915 2.111 -5.578 274 HG1 THR 36 1HG THR 36 11.232 1.725 -3.828 275 1HG2 THR 36 1HG2 THR 36 11.396 3.110 -5.735 276 2HG2 THR 36 2HG2 THR 36 9.988 4.183 -5.913 277 3HG2 THR 36 3HG2 THR 36 10.851 4.097 -4.358 278 H ASP 37 H ASP 37 9.260 4.696 -1.863 279 HA ASP 37 HA ASP 37 11.588 3.813 -0.693 280 1HB ASP 37 2HB ASP 37 9.528 5.890 -0.185 281 2HB ASP 37 1HB ASP 37 10.360 5.373 1.269 282 H ASN 38 H ASN 38 8.417 4.228 1.053 283 HA ASN 38 HA ASN 38 9.082 1.803 2.525 284 1HB ASN 38 2HB ASN 38 7.160 2.919 4.074 285 2HB ASN 38 1HB ASN 38 8.846 3.373 4.229 286 1HD2 ASN 38 1HD2 ASN 38 5.934 4.626 4.248 287 2HD2 ASN 38 2HD2 ASN 38 6.165 6.169 3.497 288 H ALA 39 H ALA 39 7.748 1.987 -0.160 289 HA ALA 39 HA ALA 39 4.951 1.745 0.165 290 1HB ALA 39 1HB ALA 39 5.319 2.198 -2.022 291 2HB ALA 39 2HB ALA 39 6.977 1.554 -1.966 292 3HB ALA 39 3HB ALA 39 5.600 0.448 -2.194 293 H ASP 40 H ASP 40 7.623 -0.667 -0.325 294 HA ASP 40 HA ASP 40 5.756 -2.771 0.221 295 1HB ASP 40 2HB ASP 40 7.346 -3.322 -1.460 296 2HB ASP 40 1HB ASP 40 8.675 -2.602 -0.573 297 H LEU 41 H LEU 41 5.882 -4.144 2.123 298 HA LEU 41 HA LEU 41 7.889 -3.452 4.111 299 1HB LEU 41 2HB LEU 41 4.924 -3.387 4.693 300 2HB LEU 41 1HB LEU 41 6.213 -3.209 5.867 301 HG LEU 41 HG LEU 41 6.743 -1.239 3.943 302 1HD1 LEU 41 1HD1 LEU 41 4.784 -0.979 2.863 303 2HD1 LEU 41 2HD1 LEU 41 3.842 -1.778 4.144 304 3HD1 LEU 41 3HD1 LEU 41 4.330 -0.076 4.328 305 1HD2 LEU 41 1HD2 LEU 41 5.676 0.217 5.898 306 2HD2 LEU 41 2HD2 LEU 41 5.767 -1.338 6.758 307 3HD2 LEU 41 3HD2 LEU 41 7.241 -0.612 6.074 308 H ASN 42 H ASN 42 6.987 -5.702 2.156 309 HA ASN 42 HA ASN 42 7.269 -7.751 4.166 310 1HB ASN 42 2HB ASN 42 5.261 -8.198 1.932 311 2HB ASN 42 1HB ASN 42 5.386 -9.036 3.466 312 1HD2 ASN 42 1HD2 ASN 42 4.316 -8.329 5.204 313 2HD2 ASN 42 2HD2 ASN 42 3.305 -6.924 5.266 314 H GLU 43 H GLU 43 8.726 -6.306 1.803 315 HA GLU 43 HA GLU 43 10.061 -6.783 0.157 316 1HB GLU 43 2HB GLU 43 10.393 -8.871 2.033 317 2HB GLU 43 1HB GLU 43 10.334 -9.681 0.479 318 1HG GLU 43 2HG GLU 43 12.123 -8.227 -0.400 319 2HG GLU 43 1HG GLU 43 12.124 -7.279 1.072 320 H ASP 44 H ASP 44 7.197 -6.887 -0.364 321 HA ASP 44 HA ASP 44 7.160 -8.923 -2.449 322 1HB ASP 44 2HB ASP 44 4.767 -7.468 -1.240 323 2HB ASP 44 1HB ASP 44 4.716 -8.853 -2.313 324 H GLY 45 H GLY 45 6.733 -5.504 -1.515 325 1HA GLY 45 2HA GLY 45 7.446 -3.970 -3.342 326 2HA GLY 45 1HA GLY 45 6.271 -4.792 -4.349 327 H ARG 46 H ARG 46 3.993 -5.067 -2.943 328 HA ARG 46 HA ARG 46 3.464 -2.708 -1.444 329 1HB ARG 46 2HB ARG 46 2.378 -3.098 -4.257 330 2HB ARG 46 1HB ARG 46 1.440 -2.204 -3.077 331 1HG ARG 46 2HG ARG 46 2.655 -0.393 -3.745 332 2HG ARG 46 1HG ARG 46 3.936 -1.055 -2.750 333 1HD ARG 46 2HD ARG 46 4.632 -0.497 -5.136 334 2HD ARG 46 1HD ARG 46 4.984 -2.141 -4.643 335 HE ARG 46 HE ARG 46 2.766 -1.309 -6.464 336 1HH1 ARG 46 2HH2 ARG 46 4.694 -3.859 -4.992 337 2HH1 ARG 46 1HH2 ARG 46 4.108 -5.092 -6.058 338 1HH2 ARG 46 2HH1 ARG 46 1.993 -2.937 -7.870 339 2HH2 ARG 46 1HH1 ARG 46 2.562 -4.564 -7.706 340 H VAL 47 H VAL 47 0.987 -4.289 -3.467 341 HA VAL 47 HA VAL 47 0.220 -5.958 -1.181 342 HB VAL 47 HB VAL 47 -2.065 -5.334 -1.418 343 1HG1 VAL 47 1HG1 VAL 47 -0.287 -3.757 -0.266 344 2HG1 VAL 47 2HG1 VAL 47 -0.762 -2.636 -1.563 345 3HG1 VAL 47 3HG1 VAL 47 -1.986 -3.254 -0.428 346 1HG2 VAL 47 1HG2 VAL 47 -2.424 -3.256 -3.092 347 2HG2 VAL 47 2HG2 VAL 47 -1.137 -4.117 -3.971 348 3HG2 VAL 47 3HG2 VAL 47 -2.660 -4.952 -3.581 349 H ASN 48 H ASN 48 1.303 -7.690 -2.347 350 HA ASN 48 HA ASN 48 0.466 -8.277 -4.979 351 1HB ASN 48 2HB ASN 48 2.180 -9.618 -2.873 352 2HB ASN 48 1HB ASN 48 1.627 -10.594 -4.219 353 1HD2 ASN 48 1HD2 ASN 48 2.949 -7.342 -3.601 354 2HD2 ASN 48 2HD2 ASN 48 4.077 -7.310 -4.916 355 H SER 49 H SER 49 -0.311 -9.340 -1.630 356 HA SER 49 HA SER 49 -2.855 -10.055 -2.114 357 1HB SER 49 2HB SER 49 -0.990 -12.144 -3.032 358 2HB SER 49 1HB SER 49 -2.134 -12.751 -1.853 359 HG SER 49 HG SER 49 -2.572 -11.820 -4.484 360 H THR 50 H THR 50 0.223 -10.819 -0.471 361 HA THR 50 HA THR 50 -1.090 -11.741 1.925 362 HB THR 50 HB THR 50 1.797 -11.166 1.095 363 HG1 THR 50 1HG THR 50 0.096 -13.474 1.728 364 1HG2 THR 50 1HG2 THR 50 0.812 -12.563 3.634 365 2HG2 THR 50 2HG2 THR 50 2.500 -12.234 3.173 366 3HG2 THR 50 3HG2 THR 50 1.421 -10.890 3.622 367 H ASP 51 H ASP 51 0.483 -8.737 0.742 368 HA ASP 51 HA ASP 51 0.290 -7.503 3.269 369 1HB ASP 51 2HB ASP 51 0.363 -5.820 0.794 370 2HB ASP 51 1HB ASP 51 1.339 -5.702 2.244 371 H LEU 52 H LEU 52 -1.619 -7.610 0.212 372 HA LEU 52 HA LEU 52 -3.328 -5.568 0.421 373 1HB LEU 52 2HB LEU 52 -4.498 -6.639 -1.138 374 2HB LEU 52 1HB LEU 52 -3.172 -7.785 -1.090 375 HG LEU 52 HG LEU 52 -4.554 -9.081 0.643 376 1HD1 LEU 52 1HD1 LEU 52 -7.126 -8.412 -0.201 377 2HD1 LEU 52 2HD1 LEU 52 -6.401 -8.099 1.396 378 3HD1 LEU 52 3HD1 LEU 52 -6.339 -6.849 0.129 379 1HD2 LEU 52 1HD2 LEU 52 -4.625 -9.026 -2.227 380 2HD2 LEU 52 2HD2 LEU 52 -4.758 -10.411 -1.117 381 3HD2 LEU 52 3HD2 LEU 52 -6.218 -9.513 -1.598 382 H GLY 53 H GLY 53 -3.523 -8.652 2.299 383 1HA GLY 53 2HA GLY 53 -5.900 -8.239 3.620 384 2HA GLY 53 1HA GLY 53 -4.521 -9.110 4.260 385 H ILE 54 H ILE 54 -2.848 -7.912 5.483 386 HA ILE 54 HA ILE 54 -3.810 -6.325 7.437 387 HB ILE 54 HB ILE 54 -1.371 -7.351 6.702 388 1HG1 ILE 54 2HG1 ILE 54 -2.170 -7.349 8.952 389 2HG1 ILE 54 1HG1 ILE 54 -0.628 -6.515 8.932 390 1HG2 ILE 54 1HG2 ILE 54 0.213 -5.438 6.952 391 2HG2 ILE 54 2HG2 ILE 54 -0.708 -5.431 5.429 392 3HG2 ILE 54 3HG2 ILE 54 -1.165 -4.330 6.750 393 1HD1 ILE 54 1HD1 ILE 54 -2.334 -4.403 8.497 394 2HD1 ILE 54 2HD1 ILE 54 -3.348 -5.456 9.512 395 3HD1 ILE 54 3HD1 ILE 54 -1.762 -4.907 10.105 396 H LEU 55 H LEU 55 -2.512 -5.271 4.238 397 HA LEU 55 HA LEU 55 -2.563 -2.555 4.686 398 1HB LEU 55 2HB LEU 55 -2.819 -4.301 2.270 399 2HB LEU 55 1HB LEU 55 -3.078 -2.576 2.112 400 HG LEU 55 HG LEU 55 -0.723 -3.595 1.667 401 1HD1 LEU 55 1HD1 LEU 55 -0.166 -1.451 1.558 402 2HD1 LEU 55 2HD1 LEU 55 -1.653 -1.051 2.451 403 3HD1 LEU 55 3HD1 LEU 55 -0.131 -1.326 3.333 404 1HD2 LEU 55 1HD2 LEU 55 0.693 -3.384 3.806 405 2HD2 LEU 55 2HD2 LEU 55 -0.846 -3.592 4.677 406 3HD2 LEU 55 3HD2 LEU 55 -0.270 -4.862 3.572 407 H LYS 56 H LYS 56 -5.169 -4.578 3.151 408 HA LYS 56 HA LYS 56 -7.027 -2.443 3.264 409 1HB LYS 56 2HB LYS 56 -8.554 -3.960 2.303 410 2HB LYS 56 1HB LYS 56 -6.994 -4.363 1.615 411 1HG LYS 56 2HG LYS 56 -7.047 -6.457 2.497 412 2HG LYS 56 1HG LYS 56 -7.409 -5.848 4.099 413 1HD LYS 56 2HD LYS 56 -9.704 -5.633 2.240 414 2HD LYS 56 1HD LYS 56 -9.164 -7.284 2.468 415 1HE LYS 56 2HE LYS 56 -9.228 -5.853 5.027 416 2HE LYS 56 1HE LYS 56 -10.786 -5.767 4.230 417 1HZ LYS 56 1HZ LYS 56 -10.108 -8.317 3.862 418 2HZ LYS 56 2HZ LYS 56 -9.446 -8.035 5.328 419 3HZ LYS 56 3HZ LYS 56 -11.042 -7.782 5.091 420 H ARG 57 H ARG 57 -5.626 -4.284 5.696 421 HA ARG 57 HA ARG 57 -8.045 -4.489 7.236 422 1HB ARG 57 2HB ARG 57 -5.766 -6.042 7.128 423 2HB ARG 57 1HB ARG 57 -5.404 -5.051 8.527 424 1HG ARG 57 2HG ARG 57 -8.076 -5.757 8.959 425 2HG ARG 57 1HG ARG 57 -7.415 -7.201 8.217 426 1HD ARG 57 2HD ARG 57 -5.482 -7.058 9.907 427 2HD ARG 57 1HD ARG 57 -6.378 -5.788 10.718 428 HE ARG 57 HE ARG 57 -8.127 -8.022 10.341 429 1HH1 ARG 57 2HH2 ARG 57 -5.289 -7.108 12.211 430 2HH1 ARG 57 1HH2 ARG 57 -5.652 -8.179 13.524 431 1HH2 ARG 57 2HH1 ARG 57 -8.606 -9.434 12.073 432 2HH2 ARG 57 1HH1 ARG 57 -7.551 -9.510 13.445 433 H TYR 58 H TYR 58 -4.908 -2.713 7.152 434 HA TYR 58 HA TYR 58 -5.624 -1.205 9.524 435 1HB TYR 58 2HB TYR 58 -3.308 -0.847 9.505 436 2HB TYR 58 1HB TYR 58 -3.288 -2.149 8.334 437 HD1 TYR 58 1HD TYR 58 -3.954 1.554 8.336 438 HD2 TYR 58 2HD TYR 58 -2.053 -1.764 6.416 439 HE1 TYR 58 1HE TYR 58 -2.955 3.121 6.601 440 HE2 TYR 58 2HE TYR 58 -1.060 -0.186 4.688 441 HH TYR 58 HH TYR 58 -1.633 3.314 4.904 442 H ILE 59 H ILE 59 -5.209 -0.741 5.968 443 HA ILE 59 HA ILE 59 -5.526 2.025 5.976 444 HB ILE 59 HB ILE 59 -5.859 1.825 3.636 445 1HG1 ILE 59 2HG1 ILE 59 -6.018 -0.797 2.887 446 2HG1 ILE 59 1HG1 ILE 59 -7.005 -0.810 4.336 447 1HG2 ILE 59 1HG2 ILE 59 -3.868 0.048 4.947 448 2HG2 ILE 59 2HG2 ILE 59 -4.082 -0.128 3.188 449 3HG2 ILE 59 3HG2 ILE 59 -3.636 1.452 3.877 450 1HD1 ILE 59 1HD1 ILE 59 -8.314 1.139 3.446 451 2HD1 ILE 59 2HD1 ILE 59 -7.344 1.071 1.954 452 3HD1 ILE 59 3HD1 ILE 59 -8.408 -0.290 2.388 453 H LEU 60 H LEU 60 -7.792 -0.598 6.501 454 HA LEU 60 HA LEU 60 -10.153 0.400 5.627 455 1HB LEU 60 2HB LEU 60 -9.379 -1.708 7.104 456 2HB LEU 60 1HB LEU 60 -10.127 -0.744 8.362 457 HG LEU 60 HG LEU 60 -11.598 -2.466 7.249 458 1HD1 LEU 60 1HD1 LEU 60 -12.425 0.443 7.303 459 2HD1 LEU 60 2HD1 LEU 60 -13.565 -0.903 7.066 460 3HD1 LEU 60 3HD1 LEU 60 -12.629 -0.785 8.575 461 1HD2 LEU 60 1HD2 LEU 60 -10.625 -1.658 4.910 462 2HD2 LEU 60 2HD2 LEU 60 -12.256 -2.352 5.072 463 3HD2 LEU 60 3HD2 LEU 60 -12.045 -0.588 4.976 464 H LYS 61 H LYS 61 -8.191 1.482 8.414 465 HA LYS 61 HA LYS 61 -9.221 4.039 8.385 466 1HB LYS 61 2HB LYS 61 -11.352 3.375 9.087 467 2HB LYS 61 1HB LYS 61 -10.733 2.154 10.179 468 1HG LYS 61 2HG LYS 61 -9.986 5.045 10.663 469 2HG LYS 61 1HG LYS 61 -11.596 4.509 11.102 470 1HD LYS 61 2HD LYS 61 -9.731 2.518 12.040 471 2HD LYS 61 1HD LYS 61 -9.116 4.087 12.524 472 1HE LYS 61 2HE LYS 61 -12.056 3.670 12.926 473 2HE LYS 61 1HE LYS 61 -11.008 2.699 13.940 474 1HZ LYS 61 1HZ LYS 61 -11.394 4.730 15.025 475 2HZ LYS 61 2HZ LYS 61 -9.847 4.793 14.502 476 3HZ LYS 61 3HZ LYS 61 -11.011 5.624 13.712 477 H GLU 62 H GLU 62 -7.851 1.290 10.200 478 HA GLU 62 HA GLU 62 -6.711 2.609 12.272 479 1HB GLU 62 2HB GLU 62 -6.327 0.074 10.871 480 2HB GLU 62 1HB GLU 62 -4.790 0.694 11.442 481 1HG GLU 62 2HG GLU 62 -5.501 0.728 13.718 482 2HG GLU 62 1HG GLU 62 -7.199 0.678 13.288 483 H ILE 63 H ILE 63 -6.061 2.987 8.891 484 HA ILE 63 HA ILE 63 -3.514 3.459 8.491 485 HB ILE 63 HB ILE 63 -4.860 4.015 6.737 486 1HG1 ILE 63 2HG1 ILE 63 -4.618 6.523 6.336 487 2HG1 ILE 63 1HG1 ILE 63 -3.902 6.624 7.932 488 1HG2 ILE 63 1HG2 ILE 63 -6.985 4.219 7.675 489 2HG2 ILE 63 2HG2 ILE 63 -6.505 5.582 8.714 490 3HG2 ILE 63 3HG2 ILE 63 -6.683 5.820 6.959 491 1HD1 ILE 63 1HD1 ILE 63 -2.174 4.947 7.269 492 2HD1 ILE 63 2HD1 ILE 63 -2.896 4.869 5.643 493 3HD1 ILE 63 3HD1 ILE 63 -2.146 6.380 6.214 494 H ASP 64 H ASP 64 -2.068 3.991 10.080 495 HA ASP 64 HA ASP 64 -1.624 6.587 10.683 496 1HB ASP 64 2HB ASP 64 -3.622 6.740 12.015 497 2HB ASP 64 1HB ASP 64 -3.342 5.177 12.757 498 H THR 65 H THR 65 -1.664 3.167 11.730 499 HA THR 65 HA THR 65 1.182 3.318 12.286 500 HB THR 65 HB THR 65 0.156 3.834 14.481 501 HG1 THR 65 1HG THR 65 1.978 2.311 14.338 502 1HG2 THR 65 1HG2 THR 65 -2.082 2.665 14.001 503 2HG2 THR 65 2HG2 THR 65 -1.231 1.118 14.233 504 3HG2 THR 65 3HG2 THR 65 -1.361 2.274 15.581 505 H LEU 66 H LEU 66 -1.821 1.322 12.137 506 HA LEU 66 HA LEU 66 -2.201 -0.624 11.160 507 1HB LEU 66 2HB LEU 66 -1.374 -0.289 9.117 508 2HB LEU 66 1HB LEU 66 0.138 0.368 9.712 509 HG LEU 66 HG LEU 66 -0.272 -2.575 9.988 510 1HD1 LEU 66 1HD1 LEU 66 -0.153 -1.130 7.379 511 2HD1 LEU 66 2HD1 LEU 66 0.786 -2.632 7.555 512 3HD1 LEU 66 3HD1 LEU 66 -0.975 -2.646 7.821 513 1HD2 LEU 66 1HD2 LEU 66 1.887 -0.684 10.136 514 2HD2 LEU 66 2HD2 LEU 66 1.865 -2.415 10.554 515 3HD2 LEU 66 3HD2 LEU 66 2.242 -1.906 8.890 516 HA PRO 67 HA PRO 67 -0.161 -2.880 14.355 517 1HB PRO 67 2HB PRO 67 -2.281 -4.481 14.996 518 2HB PRO 67 1HB PRO 67 -2.005 -2.917 15.735 519 1HG PRO 67 2HG PRO 67 -3.995 -3.672 13.684 520 2HG PRO 67 1HG PRO 67 -3.974 -2.265 14.727 521 1HD PRO 67 2HD PRO 67 -3.280 -2.350 11.945 522 2HD PRO 67 1HD PRO 67 -3.149 -0.969 13.017 523 H TYR 68 H TYR 68 0.930 -3.426 12.106 524 HA TYR 68 HA TYR 68 0.381 -5.513 10.596 525 1HB TYR 68 2HB TYR 68 2.929 -5.965 10.763 526 2HB TYR 68 1HB TYR 68 2.511 -4.284 10.494 527 HD1 TYR 68 1HD TYR 68 3.968 -6.688 12.822 528 HD2 TYR 68 2HD TYR 68 2.687 -2.633 12.346 529 HE1 TYR 68 1HE TYR 68 5.287 -6.021 14.891 530 HE2 TYR 68 2HE TYR 68 4.010 -1.980 14.417 531 HH TYR 68 HH TYR 68 5.215 -4.265 16.580 532 H LYS 69 H LYS 69 1.728 -5.811 13.949 533 HA LYS 69 HA LYS 69 2.105 -8.493 14.059 534 1HB LYS 69 2HB LYS 69 2.483 -6.629 15.815 535 2HB LYS 69 1HB LYS 69 0.849 -6.977 16.345 536 1HG LYS 69 2HG LYS 69 1.899 -9.531 16.151 537 2HG LYS 69 1HG LYS 69 3.320 -8.619 16.619 538 1HD LYS 69 2HD LYS 69 0.719 -8.165 18.104 539 2HD LYS 69 1HD LYS 69 1.675 -9.587 18.471 540 1HE LYS 69 2HE LYS 69 3.371 -7.194 18.330 541 2HE LYS 69 1HE LYS 69 2.070 -6.971 19.482 542 1HZ LYS 69 1HZ LYS 69 4.027 -8.024 20.436 543 2HZ LYS 69 2HZ LYS 69 2.710 -8.981 20.565 544 3HZ LYS 69 3HZ LYS 69 3.849 -9.308 19.442 545 H ASN 70 H ASN 70 0.804 -10.059 13.256 546 HA ASN 70 HA ASN 70 -1.926 -10.034 14.233 547 1HB ASN 70 2HB ASN 70 -2.765 -10.743 11.994 548 2HB ASN 70 1HB ASN 70 -2.001 -9.168 11.897 549 1HD2 ASN 70 1HD2 ASN 70 -2.440 -11.442 9.973 550 2HD2 ASN 70 2HD2 ASN 70 -0.897 -11.750 9.250 551 H GLY 71 H GLY 71 -2.914 -12.312 14.037 552 1HA GLY 71 2HA GLY 71 -0.783 -14.362 14.144 553 2HA GLY 71 1HA GLY 71 -2.228 -14.363 15.136 Start of MODEL 13 1 H MET 1 H MET 1 2.236 21.374 9.333 2 HA MET 1 HA MET 1 0.440 21.460 10.675 3 1HB MET 1 2HB MET 1 -0.900 20.258 8.232 4 2HB MET 1 1HB MET 1 -1.691 20.044 9.781 5 1HG MET 1 2HG MET 1 -1.651 22.526 10.143 6 2HG MET 1 1HG MET 1 -0.862 22.738 8.592 7 1HE MET 1 1HE MET 1 -4.362 24.005 7.633 8 2HE MET 1 2HE MET 1 -3.511 24.279 9.173 9 3HE MET 1 3HE MET 1 -2.607 24.297 7.641 10 H SER 2 H SER 2 0.461 18.352 8.771 11 HA SER 2 HA SER 2 1.721 16.959 10.826 12 1HB SER 2 2HB SER 2 -1.125 17.257 11.159 13 2HB SER 2 1HB SER 2 -0.809 15.580 10.759 14 HG SER 2 HG SER 2 0.946 16.725 12.662 15 H THR 3 H THR 3 1.481 14.423 10.334 16 HA THR 3 HA THR 3 0.816 13.932 7.545 17 HB THR 3 HB THR 3 3.138 14.661 7.363 18 HG1 THR 3 1HG THR 3 2.414 12.556 6.383 19 1HG2 THR 3 1HG2 THR 3 4.688 14.331 9.009 20 2HG2 THR 3 2HG2 THR 3 3.396 13.628 10.012 21 3HG2 THR 3 3HG2 THR 3 4.394 12.576 8.979 22 H LYS 4 H LYS 4 -0.062 11.960 7.232 23 HA LYS 4 HA LYS 4 0.542 9.859 9.124 24 1HB LYS 4 2HB LYS 4 -1.715 11.499 9.544 25 2HB LYS 4 1HB LYS 4 -2.336 10.012 8.857 26 1HG LYS 4 2HG LYS 4 -1.173 8.673 10.566 27 2HG LYS 4 1HG LYS 4 -0.373 10.099 11.196 28 1HD LYS 4 2HD LYS 4 -3.270 10.512 11.104 29 2HD LYS 4 1HD LYS 4 -2.890 9.052 11.995 30 1HE LYS 4 2HE LYS 4 -0.974 10.852 12.947 31 2HE LYS 4 1HE LYS 4 -2.373 11.881 12.710 32 1HZ LYS 4 1HZ LYS 4 -1.983 9.777 14.598 33 2HZ LYS 4 2HZ LYS 4 -2.974 11.073 14.672 34 3HZ LYS 4 3HZ LYS 4 -3.443 9.731 13.868 35 H LEU 5 H LEU 5 1.240 8.351 7.695 36 HA LEU 5 HA LEU 5 -0.566 7.143 5.948 37 1HB LEU 5 2HB LEU 5 0.262 7.765 3.794 38 2HB LEU 5 1HB LEU 5 -0.311 9.189 4.641 39 HG LEU 5 HG LEU 5 2.617 8.477 4.649 40 1HD1 LEU 5 1HD1 LEU 5 2.359 10.414 2.695 41 2HD1 LEU 5 2HD1 LEU 5 2.691 8.686 2.431 42 3HD1 LEU 5 3HD1 LEU 5 1.021 9.295 2.344 43 1HD2 LEU 5 1HD2 LEU 5 1.850 10.181 6.228 44 2HD2 LEU 5 2HD2 LEU 5 2.907 10.880 4.978 45 3HD2 LEU 5 3HD2 LEU 5 1.145 11.115 4.888 46 H TYR 6 H TYR 6 0.514 5.350 4.706 47 HA TYR 6 HA TYR 6 3.239 4.798 5.541 48 1HB TYR 6 2HB TYR 6 1.467 3.963 7.278 49 2HB TYR 6 1HB TYR 6 0.844 2.920 6.015 50 HD1 TYR 6 1HD TYR 6 2.904 1.539 4.784 51 HD2 TYR 6 2HD TYR 6 2.818 2.916 8.834 52 HE1 TYR 6 1HE TYR 6 4.594 -0.247 5.435 53 HE2 TYR 6 2HE TYR 6 4.507 1.127 9.472 54 HH TYR 6 HH TYR 6 6.103 -0.245 8.557 55 H GLY 7 H GLY 7 4.246 4.262 3.673 56 1HA GLY 7 2HA GLY 7 4.628 3.374 1.645 57 2HA GLY 7 1HA GLY 7 3.571 2.061 2.128 58 H ASP 8 H ASP 8 3.251 5.567 1.185 59 HA ASP 8 HA ASP 8 0.704 5.037 0.053 60 1HB ASP 8 2HB ASP 8 1.949 7.273 1.053 61 2HB ASP 8 1HB ASP 8 2.181 7.541 -0.664 62 H VAL 9 H VAL 9 0.198 5.305 -2.286 63 HA VAL 9 HA VAL 9 2.458 4.515 -3.948 64 HB VAL 9 HB VAL 9 -0.540 4.448 -4.311 65 1HG1 VAL 9 1HG1 VAL 9 0.692 2.924 -6.340 66 2HG1 VAL 9 2HG1 VAL 9 -0.234 4.433 -6.521 67 3HG1 VAL 9 3HG1 VAL 9 1.534 4.492 -6.325 68 1HG2 VAL 9 1HG2 VAL 9 0.084 2.681 -2.892 69 2HG2 VAL 9 2HG2 VAL 9 0.009 1.939 -4.508 70 3HG2 VAL 9 3HG2 VAL 9 1.585 2.361 -3.796 71 H ASN 10 H ASN 10 -0.397 6.767 -4.130 72 HA ASN 10 HA ASN 10 1.243 8.406 -5.883 73 1HB ASN 10 2HB ASN 10 -1.167 9.568 -6.135 74 2HB ASN 10 1HB ASN 10 -0.777 8.114 -7.032 75 1HD2 ASN 10 1HD2 ASN 10 -2.894 7.463 -7.170 76 2HD2 ASN 10 2HD2 ASN 10 -3.793 6.822 -5.835 77 H ASP 11 H ASP 11 1.339 8.200 -2.825 78 HA ASP 11 HA ASP 11 1.386 9.451 -1.050 79 1HB ASP 11 2HB ASP 11 2.789 10.788 -2.892 80 2HB ASP 11 1HB ASP 11 1.496 11.962 -2.738 81 H ASP 12 H ASP 12 -1.227 8.815 -1.647 82 HA ASP 12 HA ASP 12 -2.678 11.330 -1.543 83 1HB ASP 12 2HB ASP 12 -3.745 10.103 -3.199 84 2HB ASP 12 1HB ASP 12 -3.276 8.562 -2.509 85 H GLY 13 H GLY 13 -2.446 8.004 -0.085 86 1HA GLY 13 2HA GLY 13 -2.961 9.065 2.554 87 2HA GLY 13 1HA GLY 13 -4.255 8.071 1.915 88 H LYS 14 H LYS 14 -3.029 6.055 0.506 89 HA LYS 14 HA LYS 14 -0.738 4.976 1.647 90 1HB LYS 14 2HB LYS 14 -1.613 3.270 3.129 91 2HB LYS 14 1HB LYS 14 -2.057 4.860 3.715 92 1HG LYS 14 2HG LYS 14 -4.077 3.781 1.862 93 2HG LYS 14 1HG LYS 14 -3.809 2.709 3.222 94 1HD LYS 14 2HD LYS 14 -5.057 4.069 4.532 95 2HD LYS 14 1HD LYS 14 -3.885 5.352 4.308 96 1HE LYS 14 2HE LYS 14 -5.121 5.726 1.993 97 2HE LYS 14 1HE LYS 14 -6.423 4.819 2.736 98 1HZ LYS 14 1HZ LYS 14 -6.982 6.762 3.603 99 2HZ LYS 14 2HZ LYS 14 -5.737 6.580 4.643 100 3HZ LYS 14 3HZ LYS 14 -5.542 7.463 3.283 101 H VAL 15 H VAL 15 -0.406 2.679 0.904 102 HA VAL 15 HA VAL 15 -1.507 2.437 -1.727 103 HB VAL 15 HB VAL 15 0.850 1.997 -1.180 104 1HG1 VAL 15 1HG1 VAL 15 1.555 0.076 0.069 105 2HG1 VAL 15 2HG1 VAL 15 0.388 0.968 1.073 106 3HG1 VAL 15 3HG1 VAL 15 -0.118 -0.511 0.224 107 1HG2 VAL 15 1HG2 VAL 15 1.055 0.447 -2.824 108 2HG2 VAL 15 2HG2 VAL 15 -0.087 -0.682 -2.058 109 3HG2 VAL 15 3HG2 VAL 15 -0.698 0.710 -2.984 110 H ASN 16 H ASN 16 -3.469 1.568 -2.129 111 HA ASN 16 HA ASN 16 -4.125 -0.875 -0.773 112 1HB ASN 16 2HB ASN 16 -6.524 0.101 -0.357 113 2HB ASN 16 1HB ASN 16 -5.258 0.541 0.774 114 1HD2 ASN 16 1HD2 ASN 16 -7.337 2.128 0.754 115 2HD2 ASN 16 2HD2 ASN 16 -7.043 3.641 -0.035 116 H SER 17 H SER 17 -6.704 -1.292 -1.692 117 HA SER 17 HA SER 17 -6.402 -1.898 -4.306 118 1HB SER 17 2HB SER 17 -8.191 -2.932 -3.154 119 2HB SER 17 1HB SER 17 -8.836 -1.407 -2.577 120 HG SER 17 HG SER 17 -9.579 -0.915 -4.695 121 H THR 18 H THR 18 -7.032 1.221 -2.853 122 HA THR 18 HA THR 18 -8.318 2.434 -5.074 123 HB THR 18 HB THR 18 -6.738 3.570 -2.706 124 HG1 THR 18 1HG THR 18 -9.577 3.141 -3.320 125 1HG2 THR 18 1HG2 THR 18 -7.105 5.569 -3.791 126 2HG2 THR 18 2HG2 THR 18 -8.224 4.825 -4.957 127 3HG2 THR 18 3HG2 THR 18 -8.809 5.313 -3.349 128 H ASP 19 H ASP 19 -4.918 1.884 -4.141 129 HA ASP 19 HA ASP 19 -4.123 3.462 -6.435 130 1HB ASP 19 2HB ASP 19 -2.448 2.102 -4.272 131 2HB ASP 19 1HB ASP 19 -1.813 3.151 -5.524 132 H ALA 20 H ALA 20 -5.462 0.676 -6.417 133 HA ALA 20 HA ALA 20 -3.519 -1.260 -7.022 134 1HB ALA 20 1HB ALA 20 -5.393 -2.599 -7.684 135 2HB ALA 20 2HB ALA 20 -5.951 -1.586 -6.330 136 3HB ALA 20 3HB ALA 20 -6.394 -1.161 -8.000 137 H VAL 21 H VAL 21 -5.157 1.287 -8.905 138 HA VAL 21 HA VAL 21 -4.781 0.393 -11.453 139 HB VAL 21 HB VAL 21 -4.563 3.163 -10.270 140 1HG1 VAL 21 1HG1 VAL 21 -5.014 2.504 -13.194 141 2HG1 VAL 21 2HG1 VAL 21 -4.757 4.103 -12.453 142 3HG1 VAL 21 3HG1 VAL 21 -3.423 2.927 -12.520 143 1HG2 VAL 21 1HG2 VAL 21 -6.772 2.951 -10.037 144 2HG2 VAL 21 2HG2 VAL 21 -6.899 2.874 -11.811 145 3HG2 VAL 21 3HG2 VAL 21 -6.763 1.374 -10.862 146 H ALA 22 H ALA 22 -2.456 2.464 -9.568 147 HA ALA 22 HA ALA 22 -0.407 2.164 -11.475 148 1HB ALA 22 1HB ALA 22 -0.927 3.666 -9.146 149 2HB ALA 22 2HB ALA 22 0.535 2.719 -8.779 150 3HB ALA 22 3HB ALA 22 0.500 3.784 -10.205 151 H LEU 23 H LEU 23 -1.698 0.085 -8.996 152 HA LEU 23 HA LEU 23 0.707 -1.351 -8.498 153 1HB LEU 23 2HB LEU 23 -1.318 -1.120 -6.995 154 2HB LEU 23 1HB LEU 23 -2.131 -2.264 -8.045 155 HG LEU 23 HG LEU 23 -0.489 -2.809 -5.824 156 1HD1 LEU 23 1HD1 LEU 23 -2.513 -4.025 -6.767 157 2HD1 LEU 23 2HD1 LEU 23 -1.382 -4.834 -7.879 158 3HD1 LEU 23 3HD1 LEU 23 -1.197 -5.036 -6.120 159 1HD2 LEU 23 1HD2 LEU 23 1.252 -4.275 -6.752 160 2HD2 LEU 23 2HD2 LEU 23 0.831 -3.729 -8.392 161 3HD2 LEU 23 3HD2 LEU 23 1.493 -2.573 -7.212 162 H LYS 24 H LYS 24 -2.329 -2.163 -10.331 163 HA LYS 24 HA LYS 24 -1.622 -4.520 -11.390 164 1HB LYS 24 2HB LYS 24 -3.741 -3.069 -11.703 165 2HB LYS 24 1HB LYS 24 -2.922 -2.401 -13.100 166 1HG LYS 24 2HG LYS 24 -2.640 -4.682 -14.054 167 2HG LYS 24 1HG LYS 24 -3.396 -5.385 -12.638 168 1HD LYS 24 2HD LYS 24 -5.479 -4.012 -13.147 169 2HD LYS 24 1HD LYS 24 -4.716 -3.490 -14.637 170 1HE LYS 24 2HE LYS 24 -4.753 -5.676 -15.579 171 2HE LYS 24 1HE LYS 24 -4.932 -6.453 -14.019 172 1HZ LYS 24 1HZ LYS 24 -6.932 -5.619 -15.738 173 2HZ LYS 24 2HZ LYS 24 -7.097 -6.361 -14.293 174 3HZ LYS 24 3HZ LYS 24 -7.075 -4.730 -14.376 175 H ARG 25 H ARG 25 -0.534 -1.270 -12.516 176 HA ARG 25 HA ARG 25 0.853 -2.280 -14.709 177 1HB ARG 25 2HB ARG 25 0.956 0.311 -13.124 178 2HB ARG 25 1HB ARG 25 2.131 0.024 -14.393 179 1HG ARG 25 2HG ARG 25 0.606 0.433 -16.034 180 2HG ARG 25 1HG ARG 25 -0.572 -0.644 -15.312 181 1HD ARG 25 2HD ARG 25 -0.940 1.288 -13.559 182 2HD ARG 25 1HD ARG 25 -0.120 2.304 -14.727 183 HE ARG 25 HE ARG 25 -2.807 1.177 -14.981 184 1HH1 ARG 25 2HH2 ARG 25 -0.045 2.436 -16.761 185 2HH1 ARG 25 1HH2 ARG 25 -0.980 2.871 -18.153 186 1HH2 ARG 25 2HH1 ARG 25 -4.040 1.749 -16.817 187 2HH2 ARG 25 1HH1 ARG 25 -3.266 2.478 -18.186 188 H TYR 26 H TYR 26 1.740 -1.565 -11.291 189 HA TYR 26 HA TYR 26 4.497 -1.858 -11.532 190 1HB TYR 26 2HB TYR 26 2.893 -1.053 -9.599 191 2HB TYR 26 1HB TYR 26 2.662 -2.750 -9.230 192 HD1 TYR 26 1HD TYR 26 4.365 -4.033 -8.095 193 HD2 TYR 26 2HD TYR 26 5.116 0.015 -9.258 194 HE1 TYR 26 1HE TYR 26 6.443 -3.991 -6.633 195 HE2 TYR 26 2HE TYR 26 7.193 0.044 -7.792 196 HH TYR 26 HH TYR 26 7.802 -1.508 -5.505 197 H VAL 27 H VAL 27 1.991 -4.294 -10.520 198 HA VAL 27 HA VAL 27 3.746 -6.409 -10.217 199 HB VAL 27 HB VAL 27 0.913 -6.643 -11.218 200 1HG1 VAL 27 1HG1 VAL 27 2.752 -8.566 -10.542 201 2HG1 VAL 27 2HG1 VAL 27 1.871 -8.344 -9.011 202 3HG1 VAL 27 3HG1 VAL 27 0.985 -8.773 -10.493 203 1HG2 VAL 27 1HG2 VAL 27 1.895 -5.394 -8.736 204 2HG2 VAL 27 2HG2 VAL 27 0.305 -5.286 -9.528 205 3HG2 VAL 27 3HG2 VAL 27 0.686 -6.676 -8.483 206 H LEU 28 H LEU 28 1.860 -5.339 -13.121 207 HA LEU 28 HA LEU 28 2.718 -7.384 -14.794 208 1HB LEU 28 2HB LEU 28 1.223 -4.946 -14.961 209 2HB LEU 28 1HB LEU 28 2.342 -5.018 -16.308 210 HG LEU 28 HG LEU 28 0.136 -5.945 -16.862 211 1HD1 LEU 28 1HD1 LEU 28 0.927 -8.145 -17.773 212 2HD1 LEU 28 2HD1 LEU 28 1.973 -6.756 -18.149 213 3HD1 LEU 28 3HD1 LEU 28 2.444 -7.904 -16.873 214 1HD2 LEU 28 1HD2 LEU 28 0.207 -7.053 -14.325 215 2HD2 LEU 28 2HD2 LEU 28 -0.999 -7.381 -15.593 216 3HD2 LEU 28 3HD2 LEU 28 0.406 -8.456 -15.403 217 H ARG 29 H ARG 29 4.039 -4.031 -14.343 218 HA ARG 29 HA ARG 29 6.637 -5.096 -14.863 219 1HB ARG 29 2HB ARG 29 7.165 -3.768 -16.785 220 2HB ARG 29 1HB ARG 29 5.590 -4.446 -17.142 221 1HG ARG 29 2HG ARG 29 5.937 -1.700 -15.863 222 2HG ARG 29 1HG ARG 29 5.876 -1.927 -17.599 223 1HD ARG 29 2HD ARG 29 3.671 -3.325 -16.213 224 2HD ARG 29 1HD ARG 29 3.664 -1.600 -15.901 225 HE ARG 29 HE ARG 29 3.198 -2.917 -18.489 226 1HH1 ARG 29 2HH2 ARG 29 4.004 0.095 -16.858 227 2HH1 ARG 29 1HH2 ARG 29 3.490 1.094 -18.175 228 1HH2 ARG 29 2HH1 ARG 29 2.519 -1.599 -20.227 229 2HH2 ARG 29 1HH1 ARG 29 2.639 0.124 -20.105 230 H SER 30 H SER 30 8.217 -2.902 -14.960 231 HA SER 30 HA SER 30 7.258 -1.294 -12.722 232 1HB SER 30 2HB SER 30 9.683 -1.010 -12.127 233 2HB SER 30 1HB SER 30 9.129 -2.669 -12.018 234 HG SER 30 HG SER 30 10.389 -1.644 -14.405 235 H GLY 31 H GLY 31 6.252 0.098 -14.455 236 1HA GLY 31 2HA GLY 31 8.257 1.709 -15.909 237 2HA GLY 31 1HA GLY 31 6.589 1.470 -16.389 238 H ILE 32 H ILE 32 5.047 1.959 -14.205 239 HA ILE 32 HA ILE 32 5.107 4.737 -14.005 240 HB ILE 32 HB ILE 32 3.354 4.425 -12.320 241 1HG1 ILE 32 2HG1 ILE 32 3.079 1.552 -12.512 242 2HG1 ILE 32 1HG1 ILE 32 4.645 1.961 -11.842 243 1HG2 ILE 32 1HG2 ILE 32 2.315 4.427 -14.327 244 2HG2 ILE 32 2HG2 ILE 32 3.335 3.127 -14.986 245 3HG2 ILE 32 3HG2 ILE 32 1.983 2.731 -13.899 246 1HD1 ILE 32 1HD1 ILE 32 1.931 2.367 -10.698 247 2HD1 ILE 32 2HD1 ILE 32 3.492 2.139 -9.872 248 3HD1 ILE 32 3HD1 ILE 32 3.038 3.745 -10.491 249 H SER 33 H SER 33 4.901 5.683 -11.530 250 HA SER 33 HA SER 33 7.278 4.722 -10.150 251 1HB SER 33 2HB SER 33 7.665 6.847 -11.543 252 2HB SER 33 1HB SER 33 6.569 7.669 -10.449 253 HG SER 33 HG SER 33 8.295 6.385 -8.864 254 H ILE 34 H ILE 34 6.945 4.405 -7.960 255 HA ILE 34 HA ILE 34 4.800 5.893 -6.677 256 HB ILE 34 HB ILE 34 3.769 3.937 -5.760 257 1HG1 ILE 34 2HG1 ILE 34 5.247 2.007 -7.466 258 2HG1 ILE 34 1HG1 ILE 34 6.125 2.648 -6.092 259 1HG2 ILE 34 1HG2 ILE 34 4.055 3.704 -8.769 260 2HG2 ILE 34 2HG2 ILE 34 2.758 2.987 -7.781 261 3HG2 ILE 34 3HG2 ILE 34 2.917 4.757 -7.894 262 1HD1 ILE 34 1HD1 ILE 34 4.722 0.513 -5.694 263 2HD1 ILE 34 2HD1 ILE 34 4.512 1.839 -4.524 264 3HD1 ILE 34 3HD1 ILE 34 3.296 1.574 -5.796 265 H ASN 35 H ASN 35 4.986 5.871 -4.306 266 HA ASN 35 HA ASN 35 7.669 6.082 -3.562 267 1HB ASN 35 2HB ASN 35 5.425 5.777 -1.537 268 2HB ASN 35 1HB ASN 35 6.823 6.832 -1.463 269 1HD2 ASN 35 1HD2 ASN 35 3.712 6.258 -2.978 270 2HD2 ASN 35 2HD2 ASN 35 3.399 7.876 -3.512 271 H THR 36 H THR 36 8.088 3.682 -4.348 272 HA THR 36 HA THR 36 7.098 1.543 -2.787 273 HB THR 36 HB THR 36 7.901 1.181 -5.059 274 HG1 THR 36 1HG THR 36 9.954 0.307 -3.157 275 1HG2 THR 36 1HG2 THR 36 10.730 1.373 -4.800 276 2HG2 THR 36 2HG2 THR 36 9.688 2.376 -5.837 277 3HG2 THR 36 3HG2 THR 36 10.092 2.918 -4.190 278 H ASP 37 H ASP 37 9.275 4.055 -2.021 279 HA ASP 37 HA ASP 37 11.295 2.994 -0.696 280 1HB ASP 37 2HB ASP 37 9.546 5.352 -0.305 281 2HB ASP 37 1HB ASP 37 10.351 4.854 1.171 282 H ASN 38 H ASN 38 8.295 3.941 1.141 283 HA ASN 38 HA ASN 38 8.759 1.606 2.815 284 1HB ASN 38 2HB ASN 38 7.014 3.055 4.294 285 2HB ASN 38 1HB ASN 38 8.740 3.353 4.356 286 1HD2 ASN 38 1HD2 ASN 38 5.931 4.861 4.278 287 2HD2 ASN 38 2HD2 ASN 38 6.292 6.300 3.385 288 H ALA 39 H ALA 39 7.444 1.331 0.262 289 HA ALA 39 HA ALA 39 4.634 1.578 0.520 290 1HB ALA 39 1HB ALA 39 5.445 1.606 -1.678 291 2HB ALA 39 2HB ALA 39 6.554 0.242 -1.392 292 3HB ALA 39 3HB ALA 39 4.803 -0.048 -1.524 293 H ASP 40 H ASP 40 6.336 -1.529 -0.150 294 HA ASP 40 HA ASP 40 4.427 -2.798 1.587 295 1HB ASP 40 2HB ASP 40 4.778 -3.868 -0.551 296 2HB ASP 40 1HB ASP 40 6.521 -3.798 -0.383 297 H LEU 41 H LEU 41 5.365 -4.647 3.060 298 HA LEU 41 HA LEU 41 7.882 -3.697 4.240 299 1HB LEU 41 2HB LEU 41 5.486 -4.989 5.550 300 2HB LEU 41 1HB LEU 41 7.009 -4.668 6.356 301 HG LEU 41 HG LEU 41 5.714 -2.883 7.026 302 1HD1 LEU 41 1HD1 LEU 41 7.831 -2.085 6.077 303 2HD1 LEU 41 2HD1 LEU 41 7.034 -1.840 4.505 304 3HD1 LEU 41 3HD1 LEU 41 6.535 -0.876 5.915 305 1HD2 LEU 41 1HD2 LEU 41 4.629 -2.084 4.377 306 2HD2 LEU 41 2HD2 LEU 41 3.972 -3.567 5.110 307 3HD2 LEU 41 3HD2 LEU 41 3.888 -2.025 5.995 308 H ASN 42 H ASN 42 6.058 -6.355 2.824 309 HA ASN 42 HA ASN 42 7.678 -8.399 3.841 310 1HB ASN 42 2HB ASN 42 6.177 -8.470 1.181 311 2HB ASN 42 1HB ASN 42 6.529 -9.823 2.240 312 1HD2 ASN 42 1HD2 ASN 42 5.478 -9.978 4.274 313 2HD2 ASN 42 2HD2 ASN 42 3.927 -9.258 4.549 314 H GLU 43 H GLU 43 8.108 -5.915 1.459 315 HA GLU 43 HA GLU 43 9.889 -5.398 0.283 316 1HB GLU 43 2HB GLU 43 11.004 -7.344 1.888 317 2HB GLU 43 1HB GLU 43 11.265 -8.038 0.300 318 1HG GLU 43 2HG GLU 43 12.151 -5.653 -0.361 319 2HG GLU 43 1HG GLU 43 12.248 -5.367 1.365 320 H ASP 44 H ASP 44 7.579 -6.037 -0.965 321 HA ASP 44 HA ASP 44 8.473 -7.726 -3.167 322 1HB ASP 44 2HB ASP 44 5.551 -7.239 -2.864 323 2HB ASP 44 1HB ASP 44 6.392 -8.713 -3.301 324 H GLY 45 H GLY 45 6.734 -4.803 -2.009 325 1HA GLY 45 2HA GLY 45 7.492 -3.037 -3.900 326 2HA GLY 45 1HA GLY 45 6.140 -3.841 -4.671 327 H ARG 46 H ARG 46 4.128 -4.161 -3.078 328 HA ARG 46 HA ARG 46 3.900 -2.146 -1.109 329 1HB ARG 46 2HB ARG 46 1.677 -1.429 -2.656 330 2HB ARG 46 1HB ARG 46 3.140 -0.481 -2.476 331 1HG ARG 46 2HG ARG 46 4.006 -1.150 -4.541 332 2HG ARG 46 1HG ARG 46 3.189 -2.699 -4.510 333 1HD ARG 46 2HD ARG 46 1.223 -1.846 -5.407 334 2HD ARG 46 1HD ARG 46 1.404 -0.293 -4.616 335 HE ARG 46 HE ARG 46 3.449 -0.740 -6.651 336 1HH1 ARG 46 2HH2 ARG 46 0.137 0.327 -6.124 337 2HH1 ARG 46 1HH2 ARG 46 0.082 1.287 -7.564 338 1HH2 ARG 46 2HH1 ARG 46 3.377 0.527 -8.552 339 2HH2 ARG 46 1HH1 ARG 46 1.937 1.401 -8.954 340 H VAL 47 H VAL 47 1.816 -3.965 -3.491 341 HA VAL 47 HA VAL 47 0.718 -5.472 -1.252 342 HB VAL 47 HB VAL 47 -1.568 -5.098 -2.443 343 1HG1 VAL 47 1HG1 VAL 47 -0.778 -4.370 -0.111 344 2HG1 VAL 47 2HG1 VAL 47 -0.511 -2.766 -0.834 345 3HG1 VAL 47 3HG1 VAL 47 -2.141 -3.479 -0.829 346 1HG2 VAL 47 1HG2 VAL 47 -1.732 -3.525 -4.017 347 2HG2 VAL 47 2HG2 VAL 47 -0.932 -2.323 -2.976 348 3HG2 VAL 47 3HG2 VAL 47 0.043 -3.400 -4.006 349 H ASN 48 H ASN 48 1.122 -7.555 -1.774 350 HA ASN 48 HA ASN 48 1.246 -8.200 -4.589 351 1HB ASN 48 2HB ASN 48 2.598 -9.111 -2.180 352 2HB ASN 48 1HB ASN 48 1.805 -10.487 -2.921 353 1HD2 ASN 48 1HD2 ASN 48 3.561 -7.562 -3.963 354 2HD2 ASN 48 2HD2 ASN 48 4.605 -8.331 -5.111 355 H SER 49 H SER 49 -0.199 -9.343 -1.447 356 HA SER 49 HA SER 49 -2.704 -9.732 -2.386 357 1HB SER 49 2HB SER 49 -0.947 -11.811 -3.352 358 2HB SER 49 1HB SER 49 -2.055 -12.527 -2.199 359 HG SER 49 HG SER 49 -2.943 -12.540 -4.350 360 H THR 50 H THR 50 -0.009 -10.829 -0.331 361 HA THR 50 HA THR 50 -1.905 -11.514 1.801 362 HB THR 50 HB THR 50 1.076 -12.069 1.368 363 HG1 THR 50 1HG THR 50 -1.458 -13.546 1.384 364 1HG2 THR 50 1HG2 THR 50 1.088 -13.297 3.392 365 2HG2 THR 50 2HG2 THR 50 0.134 -11.866 3.850 366 3HG2 THR 50 3HG2 THR 50 -0.688 -13.394 3.452 367 H ASP 51 H ASP 51 0.063 -8.950 0.641 368 HA ASP 51 HA ASP 51 0.554 -7.934 3.281 369 1HB ASP 51 2HB ASP 51 2.216 -7.659 1.423 370 2HB ASP 51 1HB ASP 51 1.047 -6.716 0.522 371 H LEU 52 H LEU 52 -1.300 -7.128 0.261 372 HA LEU 52 HA LEU 52 -2.431 -4.762 1.031 373 1HB LEU 52 2HB LEU 52 -3.680 -4.969 -0.819 374 2HB LEU 52 1HB LEU 52 -2.533 -6.249 -1.154 375 HG LEU 52 HG LEU 52 -4.768 -6.986 -1.685 376 1HD1 LEU 52 1HD1 LEU 52 -4.641 -8.670 0.643 377 2HD1 LEU 52 2HD1 LEU 52 -4.223 -9.037 -1.047 378 3HD1 LEU 52 3HD1 LEU 52 -2.999 -8.341 0.041 379 1HD2 LEU 52 1HD2 LEU 52 -5.798 -7.024 1.077 380 2HD2 LEU 52 2HD2 LEU 52 -5.632 -5.405 0.357 381 3HD2 LEU 52 3HD2 LEU 52 -6.617 -6.644 -0.458 382 H GLY 53 H GLY 53 -3.306 -8.111 1.955 383 1HA GLY 53 2HA GLY 53 -5.786 -7.721 3.075 384 2HA GLY 53 1HA GLY 53 -4.593 -8.878 3.631 385 H ILE 54 H ILE 54 -2.515 -7.173 4.546 386 HA ILE 54 HA ILE 54 -3.618 -6.404 7.050 387 HB ILE 54 HB ILE 54 -0.988 -6.771 5.832 388 1HG1 ILE 54 2HG1 ILE 54 -1.912 -8.350 7.418 389 2HG1 ILE 54 1HG1 ILE 54 -0.463 -7.618 8.077 390 1HG2 ILE 54 1HG2 ILE 54 -1.476 -4.449 7.683 391 2HG2 ILE 54 2HG2 ILE 54 0.072 -5.327 7.699 392 3HG2 ILE 54 3HG2 ILE 54 -0.484 -4.534 6.207 393 1HD1 ILE 54 1HD1 ILE 54 -3.328 -7.257 8.912 394 2HD1 ILE 54 2HD1 ILE 54 -1.864 -7.399 9.914 395 3HD1 ILE 54 3HD1 ILE 54 -2.233 -5.864 9.092 396 H LEU 55 H LEU 55 -2.651 -4.752 4.035 397 HA LEU 55 HA LEU 55 -2.675 -2.153 5.111 398 1HB LEU 55 2HB LEU 55 -2.811 -3.338 2.360 399 2HB LEU 55 1HB LEU 55 -3.084 -1.622 2.589 400 HG LEU 55 HG LEU 55 -0.693 -2.586 2.031 401 1HD1 LEU 55 1HD1 LEU 55 -1.538 -0.269 3.700 402 2HD1 LEU 55 2HD1 LEU 55 0.202 -0.630 3.601 403 3HD1 LEU 55 3HD1 LEU 55 -0.727 -0.315 2.117 404 1HD2 LEU 55 1HD2 LEU 55 0.684 -2.813 4.097 405 2HD2 LEU 55 2HD2 LEU 55 -0.823 -2.859 5.043 406 3HD2 LEU 55 3HD2 LEU 55 -0.483 -4.135 3.851 407 H LYS 56 H LYS 56 -5.127 -3.864 3.035 408 HA LYS 56 HA LYS 56 -7.088 -1.913 3.409 409 1HB LYS 56 2HB LYS 56 -8.572 -3.466 2.357 410 2HB LYS 56 1HB LYS 56 -7.010 -3.595 1.574 411 1HG LYS 56 2HG LYS 56 -7.163 -5.834 1.956 412 2HG LYS 56 1HG LYS 56 -6.783 -5.466 3.625 413 1HD LYS 56 2HD LYS 56 -9.362 -5.044 3.899 414 2HD LYS 56 1HD LYS 56 -9.520 -5.899 2.377 415 1HE LYS 56 2HE LYS 56 -7.796 -7.205 4.460 416 2HE LYS 56 1HE LYS 56 -9.516 -7.158 4.795 417 1HZ LYS 56 1HZ LYS 56 -9.191 -9.076 3.579 418 2HZ LYS 56 2HZ LYS 56 -9.757 -8.037 2.453 419 3HZ LYS 56 3HZ LYS 56 -8.163 -8.386 2.514 420 H ARG 57 H ARG 57 -5.656 -3.928 5.689 421 HA ARG 57 HA ARG 57 -8.085 -4.364 7.157 422 1HB ARG 57 2HB ARG 57 -5.337 -5.430 7.175 423 2HB ARG 57 1HB ARG 57 -5.887 -5.061 8.797 424 1HG ARG 57 2HG ARG 57 -8.073 -6.339 7.429 425 2HG ARG 57 1HG ARG 57 -6.636 -7.286 7.105 426 1HD ARG 57 2HD ARG 57 -6.345 -6.758 9.817 427 2HD ARG 57 1HD ARG 57 -8.088 -6.873 9.670 428 HE ARG 57 HE ARG 57 -6.792 -9.042 8.249 429 1HH1 ARG 57 2HH2 ARG 57 -7.694 -7.957 11.473 430 2HH1 ARG 57 1HH2 ARG 57 -7.773 -9.558 12.128 431 1HH2 ARG 57 2HH1 ARG 57 -6.895 -11.155 9.114 432 2HH2 ARG 57 1HH1 ARG 57 -7.315 -11.389 10.778 433 H TYR 58 H TYR 58 -4.866 -2.726 7.624 434 HA TYR 58 HA TYR 58 -5.868 -1.318 9.935 435 1HB TYR 58 2HB TYR 58 -3.549 -0.884 10.200 436 2HB TYR 58 1HB TYR 58 -3.451 -2.307 9.183 437 HD1 TYR 58 1HD TYR 58 -3.652 1.428 8.916 438 HD2 TYR 58 2HD TYR 58 -2.194 -2.220 7.220 439 HE1 TYR 58 1HE TYR 58 -2.344 2.748 7.181 440 HE2 TYR 58 2HE TYR 58 -0.891 -0.887 5.492 441 HH TYR 58 HH TYR 58 -0.077 1.164 5.044 442 H ILE 59 H ILE 59 -5.395 -0.775 6.459 443 HA ILE 59 HA ILE 59 -5.523 2.071 6.678 444 HB ILE 59 HB ILE 59 -5.328 2.097 4.361 445 1HG1 ILE 59 2HG1 ILE 59 -5.634 -0.525 3.400 446 2HG1 ILE 59 1HG1 ILE 59 -6.998 -0.277 4.472 447 1HG2 ILE 59 1HG2 ILE 59 -3.790 -0.204 4.117 448 2HG2 ILE 59 2HG2 ILE 59 -3.238 1.398 4.664 449 3HG2 ILE 59 3HG2 ILE 59 -3.737 0.173 5.856 450 1HD1 ILE 59 1HD1 ILE 59 -6.931 0.562 1.863 451 2HD1 ILE 59 2HD1 ILE 59 -7.951 1.310 3.116 452 3HD1 ILE 59 3HD1 ILE 59 -6.380 2.036 2.696 453 H LEU 60 H LEU 60 -7.789 -0.557 6.765 454 HA LEU 60 HA LEU 60 -10.003 0.315 5.532 455 1HB LEU 60 2HB LEU 60 -9.518 -1.708 7.099 456 2HB LEU 60 1HB LEU 60 -10.181 -0.680 8.355 457 HG LEU 60 HG LEU 60 -12.205 -0.412 6.710 458 1HD1 LEU 60 1HD1 LEU 60 -11.813 -3.156 5.802 459 2HD1 LEU 60 2HD1 LEU 60 -12.352 -1.715 4.909 460 3HD1 LEU 60 3HD1 LEU 60 -10.614 -2.030 5.122 461 1HD2 LEU 60 1HD2 LEU 60 -12.928 -1.399 8.592 462 2HD2 LEU 60 2HD2 LEU 60 -12.882 -2.888 7.616 463 3HD2 LEU 60 3HD2 LEU 60 -11.522 -2.487 8.691 464 H LYS 61 H LYS 61 -8.505 1.690 8.469 465 HA LYS 61 HA LYS 61 -9.581 4.194 8.077 466 1HB LYS 61 2HB LYS 61 -11.277 4.284 9.916 467 2HB LYS 61 1HB LYS 61 -11.778 3.380 8.501 468 1HG LYS 61 2HG LYS 61 -12.396 1.911 10.219 469 2HG LYS 61 1HG LYS 61 -10.815 1.287 9.793 470 1HD LYS 61 2HD LYS 61 -10.215 1.562 11.965 471 2HD LYS 61 1HD LYS 61 -10.244 3.291 11.686 472 1HE LYS 61 2HE LYS 61 -12.064 3.531 13.021 473 2HE LYS 61 1HE LYS 61 -12.971 2.374 12.065 474 1HZ LYS 61 1HZ LYS 61 -11.027 1.597 14.124 475 2HZ LYS 61 2HZ LYS 61 -12.633 1.721 14.390 476 3HZ LYS 61 3HZ LYS 61 -12.063 0.613 13.335 477 H GLU 62 H GLU 62 -8.296 1.643 10.168 478 HA GLU 62 HA GLU 62 -7.387 3.484 12.130 479 1HB GLU 62 2HB GLU 62 -7.566 0.607 11.806 480 2HB GLU 62 1HB GLU 62 -5.941 1.024 12.310 481 1HG GLU 62 2HG GLU 62 -6.779 2.246 14.257 482 2HG GLU 62 1HG GLU 62 -8.434 2.105 13.699 483 H ILE 63 H ILE 63 -6.596 3.931 9.258 484 HA ILE 63 HA ILE 63 -4.189 3.220 8.448 485 HB ILE 63 HB ILE 63 -4.019 5.235 7.304 486 1HG1 ILE 63 2HG1 ILE 63 -5.414 7.277 8.149 487 2HG1 ILE 63 1HG1 ILE 63 -5.348 6.471 9.703 488 1HG2 ILE 63 1HG2 ILE 63 -6.968 5.317 7.848 489 2HG2 ILE 63 2HG2 ILE 63 -6.086 5.446 6.308 490 3HG2 ILE 63 3HG2 ILE 63 -6.240 3.868 7.116 491 1HD1 ILE 63 1HD1 ILE 63 -3.315 7.443 9.979 492 2HD1 ILE 63 2HD1 ILE 63 -2.706 6.288 8.771 493 3HD1 ILE 63 3HD1 ILE 63 -3.232 7.913 8.265 494 H ASP 64 H ASP 64 -1.985 3.628 8.860 495 HA ASP 64 HA ASP 64 -0.246 4.509 9.939 496 1HB ASP 64 2HB ASP 64 -1.957 6.300 10.872 497 2HB ASP 64 1HB ASP 64 -1.951 5.311 12.318 498 H THR 65 H THR 65 -2.895 2.674 11.417 499 HA THR 65 HA THR 65 -1.266 1.526 13.498 500 HB THR 65 HB THR 65 -4.010 0.633 12.496 501 HG1 THR 65 1HG THR 65 -4.324 2.819 12.925 502 1HG2 THR 65 1HG2 THR 65 -4.276 0.475 15.091 503 2HG2 THR 65 2HG2 THR 65 -3.289 -0.779 14.302 504 3HG2 THR 65 3HG2 THR 65 -2.500 0.575 15.147 505 H LEU 66 H LEU 66 0.251 1.158 11.327 506 HA LEU 66 HA LEU 66 -0.197 -1.681 10.720 507 1HB LEU 66 2HB LEU 66 -0.577 -0.044 8.820 508 2HB LEU 66 1HB LEU 66 1.140 0.305 8.888 509 HG LEU 66 HG LEU 66 -0.274 -2.157 7.953 510 1HD1 LEU 66 1HD1 LEU 66 2.298 -1.133 6.835 511 2HD1 LEU 66 2HD1 LEU 66 0.893 -1.855 6.015 512 3HD1 LEU 66 3HD1 LEU 66 0.821 -0.171 6.586 513 1HD2 LEU 66 1HD2 LEU 66 1.650 -3.565 8.199 514 2HD2 LEU 66 2HD2 LEU 66 2.601 -2.233 8.900 515 3HD2 LEU 66 3HD2 LEU 66 1.224 -2.914 9.800 516 HA PRO 67 HA PRO 67 3.699 -1.209 12.943 517 1HB PRO 67 2HB PRO 67 3.279 -3.161 14.808 518 2HB PRO 67 1HB PRO 67 2.913 -1.471 15.090 519 1HG PRO 67 2HG PRO 67 1.056 -3.704 14.542 520 2HG PRO 67 1HG PRO 67 0.708 -2.133 15.235 521 1HD PRO 67 2HD PRO 67 0.162 -2.983 12.551 522 2HD PRO 67 1HD PRO 67 -0.079 -1.377 13.211 523 H TYR 68 H TYR 68 2.013 -3.985 11.730 524 HA TYR 68 HA TYR 68 3.962 -5.873 11.762 525 1HB TYR 68 2HB TYR 68 2.183 -5.084 9.376 526 2HB TYR 68 1HB TYR 68 2.735 -6.705 9.748 527 HD1 TYR 68 1HD TYR 68 2.053 -7.467 12.283 528 HD2 TYR 68 2HD TYR 68 -0.028 -4.612 9.870 529 HE1 TYR 68 1HE TYR 68 -0.072 -7.878 13.617 530 HE2 TYR 68 2HE TYR 68 -2.146 -5.032 11.213 531 HH TYR 68 HH TYR 68 -2.243 -6.269 14.082 532 H LYS 69 H LYS 69 5.860 -6.335 10.689 533 HA LYS 69 HA LYS 69 6.532 -5.013 8.261 534 1HB LYS 69 2HB LYS 69 7.017 -3.133 9.665 535 2HB LYS 69 1HB LYS 69 7.883 -4.126 10.820 536 1HG LYS 69 2HG LYS 69 9.118 -4.635 8.303 537 2HG LYS 69 1HG LYS 69 8.858 -2.903 8.353 538 1HD LYS 69 2HD LYS 69 9.847 -3.071 10.799 539 2HD LYS 69 1HD LYS 69 10.464 -4.623 10.269 540 1HE LYS 69 2HE LYS 69 11.162 -2.963 8.140 541 2HE LYS 69 1HE LYS 69 11.341 -1.891 9.515 542 1HZ LYS 69 1HZ LYS 69 13.351 -3.045 9.217 543 2HZ LYS 69 2HZ LYS 69 12.667 -3.677 10.558 544 3HZ LYS 69 3HZ LYS 69 12.623 -4.505 9.150 545 H ASN 70 H ASN 70 6.331 -7.493 8.099 546 HA ASN 70 HA ASN 70 8.868 -8.503 7.789 547 1HB ASN 70 2HB ASN 70 8.637 -10.419 9.547 548 2HB ASN 70 1HB ASN 70 9.143 -8.850 10.141 549 1HD2 ASN 70 1HD2 ASN 70 7.721 -7.542 11.282 550 2HD2 ASN 70 2HD2 ASN 70 6.275 -8.142 12.022 551 H GLY 71 H GLY 71 5.442 -9.241 8.704 552 1HA GLY 71 2HA GLY 71 3.903 -10.196 7.226 553 2HA GLY 71 1HA GLY 71 5.208 -10.938 6.321 Start of MODEL 14 1 H MET 1 H MET 1 -0.964 21.403 5.008 2 HA MET 1 HA MET 1 -2.096 20.554 6.845 3 1HB MET 1 2HB MET 1 -2.807 19.462 4.124 4 2HB MET 1 1HB MET 1 -3.676 18.772 5.480 5 1HG MET 1 2HG MET 1 -4.337 21.082 6.220 6 2HG MET 1 1HG MET 1 -3.491 21.756 4.840 7 1HE MET 1 1HE MET 1 -6.973 22.157 5.185 8 2HE MET 1 2HE MET 1 -5.529 22.961 4.522 9 3HE MET 1 3HE MET 1 -6.825 22.420 3.430 10 H SER 2 H SER 2 -2.373 18.936 8.417 11 HA SER 2 HA SER 2 -0.415 17.002 8.543 12 1HB SER 2 2HB SER 2 -2.597 17.960 10.172 13 2HB SER 2 1HB SER 2 -2.649 16.207 10.174 14 HG SER 2 HG SER 2 -0.538 16.112 10.986 15 H THR 3 H THR 3 -0.575 14.631 8.445 16 HA THR 3 HA THR 3 -2.817 13.210 7.702 17 HB THR 3 HB THR 3 -2.993 14.408 5.627 18 HG1 THR 3 1HG THR 3 -2.993 12.126 5.258 19 1HG2 THR 3 1HG2 THR 3 -0.052 13.832 5.046 20 2HG2 THR 3 2HG2 THR 3 -1.151 14.925 4.170 21 3HG2 THR 3 3HG2 THR 3 -0.567 15.364 5.793 22 H LYS 4 H LYS 4 -2.358 10.967 7.251 23 HA LYS 4 HA LYS 4 0.474 10.297 7.589 24 1HB LYS 4 2HB LYS 4 -1.336 10.134 9.658 25 2HB LYS 4 1HB LYS 4 -1.405 8.515 8.992 26 1HG LYS 4 2HG LYS 4 1.361 9.247 9.023 27 2HG LYS 4 1HG LYS 4 0.707 9.749 10.568 28 1HD LYS 4 2HD LYS 4 0.384 7.594 11.281 29 2HD LYS 4 1HD LYS 4 -0.237 7.069 9.729 30 1HE LYS 4 2HE LYS 4 1.758 5.915 9.650 31 2HE LYS 4 1HE LYS 4 2.357 7.435 9.014 32 1HZ LYS 4 1HZ LYS 4 2.343 7.494 11.819 33 2HZ LYS 4 2HZ LYS 4 3.163 6.179 11.303 34 3HZ LYS 4 3HZ LYS 4 3.605 7.667 10.796 35 H LEU 5 H LEU 5 1.184 8.602 6.325 36 HA LEU 5 HA LEU 5 -0.790 6.894 5.078 37 1HB LEU 5 2HB LEU 5 0.324 7.389 2.816 38 2HB LEU 5 1HB LEU 5 -0.927 8.460 3.417 39 HG LEU 5 HG LEU 5 0.980 9.643 2.368 40 1HD1 LEU 5 1HD1 LEU 5 -0.451 10.358 4.574 41 2HD1 LEU 5 2HD1 LEU 5 1.218 10.564 5.157 42 3HD1 LEU 5 3HD1 LEU 5 0.673 11.424 3.698 43 1HD2 LEU 5 1HD2 LEU 5 2.789 8.145 2.987 44 2HD2 LEU 5 2HD2 LEU 5 3.129 9.796 3.558 45 3HD2 LEU 5 3HD2 LEU 5 2.573 8.554 4.706 46 H TYR 6 H TYR 6 0.346 5.107 3.807 47 HA TYR 6 HA TYR 6 3.041 4.661 4.888 48 1HB TYR 6 2HB TYR 6 0.919 3.471 5.979 49 2HB TYR 6 1HB TYR 6 0.843 2.556 4.486 50 HD1 TYR 6 1HD TYR 6 1.691 0.414 4.673 51 HD2 TYR 6 2HD TYR 6 3.579 3.566 6.866 52 HE1 TYR 6 1HE TYR 6 3.383 -1.238 5.605 53 HE2 TYR 6 2HE TYR 6 5.264 1.903 7.790 54 HH TYR 6 HH TYR 6 6.019 -0.125 7.706 55 H GLY 7 H GLY 7 4.373 4.672 3.136 56 1HA GLY 7 2HA GLY 7 5.017 4.453 0.968 57 2HA GLY 7 1HA GLY 7 4.598 2.779 1.273 58 H ASP 8 H ASP 8 2.695 5.842 0.746 59 HA ASP 8 HA ASP 8 0.612 4.552 -0.510 60 1HB ASP 8 2HB ASP 8 0.855 6.994 0.432 61 2HB ASP 8 1HB ASP 8 1.463 7.397 -1.161 62 H VAL 9 H VAL 9 0.007 4.643 -2.870 63 HA VAL 9 HA VAL 9 2.358 4.270 -4.524 64 HB VAL 9 HB VAL 9 -0.595 3.810 -4.991 65 1HG1 VAL 9 1HG1 VAL 9 1.770 3.042 -6.736 66 2HG1 VAL 9 2HG1 VAL 9 0.068 2.602 -7.019 67 3HG1 VAL 9 3HG1 VAL 9 0.572 4.307 -7.100 68 1HG2 VAL 9 1HG2 VAL 9 -0.342 1.748 -4.146 69 2HG2 VAL 9 2HG2 VAL 9 1.202 1.495 -4.994 70 3HG2 VAL 9 3HG2 VAL 9 1.172 2.354 -3.435 71 H ASN 10 H ASN 10 -0.796 6.073 -4.763 72 HA ASN 10 HA ASN 10 0.445 7.794 -6.698 73 1HB ASN 10 2HB ASN 10 -1.937 8.866 -6.642 74 2HB ASN 10 1HB ASN 10 -1.809 7.234 -7.269 75 1HD2 ASN 10 1HD2 ASN 10 -4.088 7.164 -6.744 76 2HD2 ASN 10 2HD2 ASN 10 -4.602 6.729 -5.147 77 H ASP 11 H ASP 11 -0.042 7.572 -3.289 78 HA ASP 11 HA ASP 11 0.482 8.909 -1.654 79 1HB ASP 11 2HB ASP 11 2.117 9.915 -3.482 80 2HB ASP 11 1HB ASP 11 0.985 11.252 -3.514 81 H ASP 12 H ASP 12 -2.182 8.615 -2.251 82 HA ASP 12 HA ASP 12 -3.228 11.336 -2.140 83 1HB ASP 12 2HB ASP 12 -5.154 10.626 -3.289 84 2HB ASP 12 1HB ASP 12 -3.892 9.699 -4.075 85 H GLY 13 H GLY 13 -3.155 8.019 -0.802 86 1HA GLY 13 2HA GLY 13 -4.283 8.991 1.702 87 2HA GLY 13 1HA GLY 13 -5.195 7.746 0.873 88 H LYS 14 H LYS 14 -3.744 5.800 0.040 89 HA LYS 14 HA LYS 14 -1.342 5.251 1.355 90 1HB LYS 14 2HB LYS 14 -2.434 3.357 2.826 91 2HB LYS 14 1HB LYS 14 -2.241 4.987 3.440 92 1HG LYS 14 2HG LYS 14 -4.513 4.243 3.928 93 2HG LYS 14 1HG LYS 14 -4.593 5.517 2.727 94 1HD LYS 14 2HD LYS 14 -5.033 3.977 0.945 95 2HD LYS 14 1HD LYS 14 -4.486 2.600 1.880 96 1HE LYS 14 2HE LYS 14 -6.699 2.254 2.332 97 2HE LYS 14 1HE LYS 14 -6.527 3.560 3.489 98 1HZ LYS 14 1HZ LYS 14 -8.299 3.688 1.652 99 2HZ LYS 14 2HZ LYS 14 -7.474 5.037 2.058 100 3HZ LYS 14 3HZ LYS 14 -7.075 4.212 0.707 101 H VAL 15 H VAL 15 -0.486 3.176 0.710 102 HA VAL 15 HA VAL 15 -1.381 2.377 -1.813 103 HB VAL 15 HB VAL 15 0.899 2.151 -1.223 104 1HG1 VAL 15 1HG1 VAL 15 1.627 1.582 0.809 105 2HG1 VAL 15 2HG1 VAL 15 -0.071 1.400 1.312 106 3HG1 VAL 15 3HG1 VAL 15 0.834 -0.007 0.705 107 1HG2 VAL 15 1HG2 VAL 15 1.316 -0.297 -1.607 108 2HG2 VAL 15 2HG2 VAL 15 -0.434 -0.566 -1.434 109 3HG2 VAL 15 3HG2 VAL 15 0.182 0.449 -2.759 110 H ASN 16 H ASN 16 -3.156 1.226 -2.346 111 HA ASN 16 HA ASN 16 -3.771 -1.100 -0.830 112 1HB ASN 16 2HB ASN 16 -6.099 -0.458 -0.281 113 2HB ASN 16 1HB ASN 16 -4.988 0.670 0.468 114 1HD2 ASN 16 1HD2 ASN 16 -7.162 1.812 0.447 115 2HD2 ASN 16 2HD2 ASN 16 -7.480 2.884 -0.876 116 H SER 17 H SER 17 -6.447 -1.469 -1.865 117 HA SER 17 HA SER 17 -5.893 -2.310 -4.422 118 1HB SER 17 2HB SER 17 -7.706 -3.239 -3.025 119 2HB SER 17 1HB SER 17 -8.579 -1.721 -3.102 120 HG SER 17 HG SER 17 -7.925 -2.677 -5.636 121 H THR 18 H THR 18 -7.448 0.693 -3.176 122 HA THR 18 HA THR 18 -8.398 1.718 -5.562 123 HB THR 18 HB THR 18 -7.159 3.249 -3.217 124 HG1 THR 18 1HG THR 18 -8.935 2.466 -2.130 125 1HG2 THR 18 1HG2 THR 18 -9.565 3.840 -5.020 126 2HG2 THR 18 2HG2 THR 18 -8.965 4.869 -3.698 127 3HG2 THR 18 3HG2 THR 18 -7.983 4.641 -5.164 128 H ASP 19 H ASP 19 -5.083 1.344 -4.436 129 HA ASP 19 HA ASP 19 -4.186 3.150 -6.503 130 1HB ASP 19 2HB ASP 19 -2.838 1.666 -4.220 131 2HB ASP 19 1HB ASP 19 -1.876 2.381 -5.498 132 H ALA 20 H ALA 20 -5.486 0.317 -6.799 133 HA ALA 20 HA ALA 20 -3.514 -1.503 -7.574 134 1HB ALA 20 1HB ALA 20 -5.666 -2.357 -7.125 135 2HB ALA 20 2HB ALA 20 -6.462 -1.145 -8.157 136 3HB ALA 20 3HB ALA 20 -5.530 -2.470 -8.896 137 H VAL 21 H VAL 21 -5.088 1.239 -9.222 138 HA VAL 21 HA VAL 21 -4.519 0.610 -11.838 139 HB VAL 21 HB VAL 21 -4.825 3.144 -10.273 140 1HG1 VAL 21 1HG1 VAL 21 -3.524 4.245 -11.744 141 2HG1 VAL 21 2HG1 VAL 21 -3.519 2.895 -12.903 142 3HG1 VAL 21 3HG1 VAL 21 -4.887 4.035 -12.868 143 1HG2 VAL 21 1HG2 VAL 21 -6.564 1.363 -11.572 144 2HG2 VAL 21 2HG2 VAL 21 -6.959 2.966 -10.906 145 3HG2 VAL 21 3HG2 VAL 21 -6.498 2.802 -12.618 146 H ALA 22 H ALA 22 -2.503 2.659 -9.604 147 HA ALA 22 HA ALA 22 -0.308 2.688 -11.366 148 1HB ALA 22 1HB ALA 22 -0.214 4.442 -9.889 149 2HB ALA 22 2HB ALA 22 -0.919 3.498 -8.554 150 3HB ALA 22 3HB ALA 22 0.795 3.290 -8.982 151 H LEU 23 H LEU 23 -1.108 0.737 -8.419 152 HA LEU 23 HA LEU 23 1.224 -0.670 -8.209 153 1HB LEU 23 2HB LEU 23 -0.127 -1.100 -6.469 154 2HB LEU 23 1HB LEU 23 -1.590 -1.044 -7.432 155 HG LEU 23 HG LEU 23 0.262 -3.388 -7.725 156 1HD1 LEU 23 1HD1 LEU 23 -1.157 -4.505 -5.908 157 2HD1 LEU 23 2HD1 LEU 23 0.126 -3.387 -5.387 158 3HD1 LEU 23 3HD1 LEU 23 -1.571 -2.852 -5.391 159 1HD2 LEU 23 1HD2 LEU 23 -2.494 -4.081 -7.662 160 2HD2 LEU 23 2HD2 LEU 23 -2.320 -2.641 -8.693 161 3HD2 LEU 23 3HD2 LEU 23 -1.370 -4.105 -9.042 162 H LYS 24 H LYS 24 -1.702 -1.553 -10.174 163 HA LYS 24 HA LYS 24 -0.836 -3.874 -11.247 164 1HB LYS 24 2HB LYS 24 -3.055 -2.736 -11.572 165 2HB LYS 24 1HB LYS 24 -2.304 -1.710 -12.779 166 1HG LYS 24 2HG LYS 24 -1.751 -3.628 -14.182 167 2HG LYS 24 1HG LYS 24 -2.209 -4.756 -12.923 168 1HD LYS 24 2HD LYS 24 -4.569 -3.549 -13.072 169 2HD LYS 24 1HD LYS 24 -3.997 -3.011 -14.638 170 1HE LYS 24 2HE LYS 24 -3.545 -5.395 -15.284 171 2HE LYS 24 1HE LYS 24 -4.142 -5.925 -13.723 172 1HZ LYS 24 1HZ LYS 24 -6.103 -5.961 -14.713 173 2HZ LYS 24 2HZ LYS 24 -6.106 -4.329 -14.657 174 3HZ LYS 24 3HZ LYS 24 -5.603 -5.098 -16.006 175 H ARG 25 H ARG 25 -0.017 -0.534 -12.371 176 HA ARG 25 HA ARG 25 1.506 -1.410 -14.516 177 1HB ARG 25 2HB ARG 25 1.794 1.174 -12.899 178 2HB ARG 25 1HB ARG 25 2.417 0.917 -14.517 179 1HG ARG 25 2HG ARG 25 -0.468 1.162 -13.620 180 2HG ARG 25 1HG ARG 25 0.363 2.054 -14.878 181 1HD ARG 25 2HD ARG 25 -0.359 -0.916 -14.994 182 2HD ARG 25 1HD ARG 25 -1.197 0.368 -15.844 183 HE ARG 25 HE ARG 25 1.588 0.505 -16.506 184 1HH1 ARG 25 2HH2 ARG 25 -1.229 -1.528 -17.064 185 2HH1 ARG 25 1HH2 ARG 25 -0.658 -2.122 -18.588 186 1HH2 ARG 25 2HH1 ARG 25 2.343 -0.278 -18.516 187 2HH2 ARG 25 1HH1 ARG 25 1.387 -1.406 -19.419 188 H TYR 26 H TYR 26 2.204 -0.884 -11.050 189 HA TYR 26 HA TYR 26 5.037 -1.016 -11.340 190 1HB TYR 26 2HB TYR 26 3.707 0.091 -9.469 191 2HB TYR 26 1HB TYR 26 3.064 -1.475 -9.015 192 HD1 TYR 26 1HD TYR 26 4.645 -3.237 -8.100 193 HD2 TYR 26 2HD TYR 26 5.820 0.837 -8.667 194 HE1 TYR 26 1HE TYR 26 6.608 -3.576 -6.520 195 HE2 TYR 26 2HE TYR 26 7.779 0.485 -7.085 196 HH TYR 26 HH TYR 26 9.103 -1.215 -6.214 197 H VAL 27 H VAL 27 2.384 -3.346 -10.825 198 HA VAL 27 HA VAL 27 4.139 -5.454 -10.030 199 HB VAL 27 HB VAL 27 1.286 -5.552 -11.026 200 1HG1 VAL 27 1HG1 VAL 27 1.257 -7.738 -10.519 201 2HG1 VAL 27 2HG1 VAL 27 3.035 -7.636 -10.524 202 3HG1 VAL 27 3HG1 VAL 27 2.139 -7.486 -8.994 203 1HG2 VAL 27 1HG2 VAL 27 2.075 -4.078 -8.896 204 2HG2 VAL 27 2HG2 VAL 27 0.504 -4.910 -8.996 205 3HG2 VAL 27 3HG2 VAL 27 1.855 -5.661 -8.115 206 H LEU 28 H LEU 28 2.292 -4.606 -13.037 207 HA LEU 28 HA LEU 28 3.149 -6.746 -14.555 208 1HB LEU 28 2HB LEU 28 1.773 -4.253 -14.927 209 2HB LEU 28 1HB LEU 28 2.908 -4.491 -16.241 210 HG LEU 28 HG LEU 28 0.675 -5.344 -16.777 211 1HD1 LEU 28 1HD1 LEU 28 1.857 -7.945 -16.782 212 2HD1 LEU 28 2HD1 LEU 28 1.709 -6.776 -18.116 213 3HD1 LEU 28 3HD1 LEU 28 3.136 -6.737 -17.054 214 1HD2 LEU 28 1HD2 LEU 28 -0.215 -7.346 -15.650 215 2HD2 LEU 28 2HD2 LEU 28 1.109 -7.253 -14.464 216 3HD2 LEU 28 3HD2 LEU 28 -0.096 -5.946 -14.557 217 H ARG 29 H ARG 29 4.782 -3.702 -13.666 218 HA ARG 29 HA ARG 29 7.258 -4.822 -14.265 219 1HB ARG 29 2HB ARG 29 7.909 -3.103 -16.064 220 2HB ARG 29 1HB ARG 29 6.840 -4.385 -16.597 221 1HG ARG 29 2HG ARG 29 5.793 -2.464 -17.474 222 2HG ARG 29 1HG ARG 29 4.890 -2.738 -15.997 223 1HD ARG 29 2HD ARG 29 5.524 -0.719 -15.168 224 2HD ARG 29 1HD ARG 29 7.218 -1.114 -15.378 225 HE ARG 29 HE ARG 29 5.532 0.427 -17.234 226 1HH1 ARG 29 2HH2 ARG 29 8.527 -1.376 -16.828 227 2HH1 ARG 29 1HH2 ARG 29 9.317 -0.614 -18.169 228 1HH2 ARG 29 2HH1 ARG 29 6.574 1.433 -19.002 229 2HH2 ARG 29 1HH1 ARG 29 8.198 0.994 -19.414 230 H SER 30 H SER 30 9.031 -2.885 -14.177 231 HA SER 30 HA SER 30 8.060 -1.129 -12.069 232 1HB SER 30 2HB SER 30 10.747 -2.376 -12.677 233 2HB SER 30 1HB SER 30 10.687 -0.895 -11.742 234 HG SER 30 HG SER 30 10.506 -3.219 -10.688 235 H GLY 31 H GLY 31 7.202 0.510 -13.502 236 1HA GLY 31 2HA GLY 31 9.310 2.124 -14.784 237 2HA GLY 31 1HA GLY 31 7.866 1.685 -15.677 238 H ILE 32 H ILE 32 5.873 1.857 -13.657 239 HA ILE 32 HA ILE 32 5.352 4.595 -13.690 240 HB ILE 32 HB ILE 32 3.615 2.935 -13.626 241 1HG1 ILE 32 2HG1 ILE 32 3.547 4.595 -11.089 242 2HG1 ILE 32 1HG1 ILE 32 3.207 5.213 -12.694 243 1HG2 ILE 32 1HG2 ILE 32 3.487 2.116 -10.935 244 2HG2 ILE 32 2HG2 ILE 32 3.818 1.118 -12.371 245 3HG2 ILE 32 3HG2 ILE 32 5.166 1.841 -11.460 246 1HD1 ILE 32 1HD1 ILE 32 1.715 2.831 -11.516 247 2HD1 ILE 32 2HD1 ILE 32 1.163 4.511 -11.320 248 3HD1 ILE 32 3HD1 ILE 32 1.272 3.795 -12.945 249 H SER 33 H SER 33 5.171 6.113 -11.877 250 HA SER 33 HA SER 33 7.362 5.647 -10.036 251 1HB SER 33 2HB SER 33 7.275 8.107 -9.663 252 2HB SER 33 1HB SER 33 7.499 7.706 -11.354 253 HG SER 33 HG SER 33 5.274 8.135 -11.753 254 H ILE 34 H ILE 34 6.883 5.030 -7.962 255 HA ILE 34 HA ILE 34 4.570 6.181 -6.669 256 HB ILE 34 HB ILE 34 3.424 4.224 -6.202 257 1HG1 ILE 34 2HG1 ILE 34 4.940 2.123 -7.429 258 2HG1 ILE 34 1HG1 ILE 34 5.991 2.988 -6.325 259 1HG2 ILE 34 1HG2 ILE 34 4.393 3.927 -9.058 260 2HG2 ILE 34 2HG2 ILE 34 2.914 3.215 -8.370 261 3HG2 ILE 34 3HG2 ILE 34 3.075 4.984 -8.498 262 1HD1 ILE 34 1HD1 ILE 34 4.930 1.329 -4.980 263 2HD1 ILE 34 2HD1 ILE 34 4.056 2.833 -4.603 264 3HD1 ILE 34 3HD1 ILE 34 3.336 1.640 -5.710 265 H ASN 35 H ASN 35 4.690 6.006 -4.340 266 HA ASN 35 HA ASN 35 7.343 6.071 -3.457 267 1HB ASN 35 2HB ASN 35 5.018 5.716 -1.545 268 2HB ASN 35 1HB ASN 35 6.425 6.746 -1.375 269 1HD2 ASN 35 1HD2 ASN 35 3.364 7.059 -1.430 270 2HD2 ASN 35 2HD2 ASN 35 3.084 8.439 -2.439 271 H THR 36 H THR 36 7.754 3.727 -4.360 272 HA THR 36 HA THR 36 6.675 1.612 -2.690 273 HB THR 36 HB THR 36 7.066 1.623 -5.293 274 HG1 THR 36 1HG THR 36 8.184 -0.409 -3.491 275 1HG2 THR 36 1HG2 THR 36 9.673 0.325 -4.776 276 2HG2 THR 36 2HG2 THR 36 9.212 1.434 -6.089 277 3HG2 THR 36 3HG2 THR 36 9.725 2.085 -4.514 278 H ASP 37 H ASP 37 8.443 3.780 -1.550 279 HA ASP 37 HA ASP 37 10.851 2.328 -1.001 280 1HB ASP 37 2HB ASP 37 9.755 5.068 -0.438 281 2HB ASP 37 1HB ASP 37 10.941 4.459 0.699 282 H ASN 38 H ASN 38 7.783 3.378 0.575 283 HA ASN 38 HA ASN 38 8.521 1.705 2.847 284 1HB ASN 38 2HB ASN 38 6.711 3.225 4.040 285 2HB ASN 38 1HB ASN 38 8.328 3.858 3.809 286 1HD2 ASN 38 1HD2 ASN 38 5.852 5.294 4.116 287 2HD2 ASN 38 2HD2 ASN 38 5.620 6.273 2.707 288 H ALA 39 H ALA 39 6.938 1.477 0.084 289 HA ALA 39 HA ALA 39 4.274 0.862 1.026 290 1HB ALA 39 1HB ALA 39 3.748 0.618 -1.289 291 2HB ALA 39 2HB ALA 39 4.874 1.993 -1.191 292 3HB ALA 39 3HB ALA 39 5.459 0.402 -1.732 293 H ASP 40 H ASP 40 7.347 -0.740 0.269 294 HA ASP 40 HA ASP 40 6.025 -3.309 0.393 295 1HB ASP 40 2HB ASP 40 7.797 -2.756 -1.359 296 2HB ASP 40 1HB ASP 40 8.974 -2.656 -0.065 297 H LEU 41 H LEU 41 6.186 -4.601 2.260 298 HA LEU 41 HA LEU 41 8.184 -3.794 4.249 299 1HB LEU 41 2HB LEU 41 5.362 -4.624 4.915 300 2HB LEU 41 1HB LEU 41 6.600 -4.057 6.018 301 HG LEU 41 HG LEU 41 5.134 -2.250 5.767 302 1HD1 LEU 41 1HD1 LEU 41 6.675 -0.679 5.414 303 2HD1 LEU 41 2HD1 LEU 41 7.775 -2.010 4.982 304 3HD1 LEU 41 3HD1 LEU 41 6.885 -1.142 3.709 305 1HD2 LEU 41 1HD2 LEU 41 4.008 -3.242 3.721 306 2HD2 LEU 41 2HD2 LEU 41 4.143 -1.468 3.771 307 3HD2 LEU 41 3HD2 LEU 41 5.252 -2.417 2.752 308 H ASN 42 H ASN 42 5.998 -6.322 2.908 309 HA ASN 42 HA ASN 42 7.371 -8.342 4.379 310 1HB ASN 42 2HB ASN 42 5.621 -9.051 2.037 311 2HB ASN 42 1HB ASN 42 5.672 -9.771 3.633 312 1HD2 ASN 42 1HD2 ASN 42 3.816 -9.549 4.606 313 2HD2 ASN 42 2HD2 ASN 42 2.814 -8.137 4.657 314 H GLU 43 H GLU 43 8.369 -6.444 1.926 315 HA GLU 43 HA GLU 43 9.878 -6.579 0.370 316 1HB GLU 43 2HB GLU 43 10.333 -9.317 1.601 317 2HB GLU 43 1HB GLU 43 11.263 -8.787 0.213 318 1HG GLU 43 2HG GLU 43 12.027 -6.776 1.465 319 2HG GLU 43 1HG GLU 43 11.056 -7.249 2.845 320 H ASP 44 H ASP 44 7.230 -6.935 -0.413 321 HA ASP 44 HA ASP 44 7.475 -9.021 -2.436 322 1HB ASP 44 2HB ASP 44 4.916 -8.807 -2.537 323 2HB ASP 44 1HB ASP 44 5.574 -9.537 -1.086 324 H GLY 45 H GLY 45 6.572 -5.639 -1.613 325 1HA GLY 45 2HA GLY 45 7.433 -4.212 -3.610 326 2HA GLY 45 1HA GLY 45 6.105 -4.999 -4.439 327 H ARG 46 H ARG 46 3.889 -4.909 -3.240 328 HA ARG 46 HA ARG 46 3.687 -2.546 -1.605 329 1HB ARG 46 2HB ARG 46 2.210 -2.941 -4.251 330 2HB ARG 46 1HB ARG 46 1.687 -1.782 -3.045 331 1HG ARG 46 2HG ARG 46 3.135 -0.295 -3.959 332 2HG ARG 46 1HG ARG 46 4.445 -1.267 -3.319 333 1HD ARG 46 2HD ARG 46 3.210 -1.395 -6.099 334 2HD ARG 46 1HD ARG 46 4.879 -1.063 -5.676 335 HE ARG 46 HE ARG 46 5.212 -3.400 -5.175 336 1HH1 ARG 46 2HH2 ARG 46 1.974 -2.689 -6.351 337 2HH1 ARG 46 1HH2 ARG 46 1.613 -4.339 -6.735 338 1HH2 ARG 46 2HH1 ARG 46 4.737 -5.577 -5.682 339 2HH2 ARG 46 1HH1 ARG 46 3.195 -5.993 -6.351 340 H VAL 47 H VAL 47 1.186 -4.357 -3.498 341 HA VAL 47 HA VAL 47 0.363 -5.713 -1.049 342 HB VAL 47 HB VAL 47 -2.010 -5.107 -1.603 343 1HG1 VAL 47 1HG1 VAL 47 -1.929 -3.433 -0.083 344 2HG1 VAL 47 2HG1 VAL 47 -0.204 -3.865 0.007 345 3HG1 VAL 47 3HG1 VAL 47 -0.729 -2.503 -1.011 346 1HG2 VAL 47 1HG2 VAL 47 -0.599 -3.247 -3.521 347 2HG2 VAL 47 2HG2 VAL 47 -1.953 -4.358 -3.832 348 3HG2 VAL 47 3HG2 VAL 47 -2.217 -2.881 -2.875 349 H ASN 48 H ASN 48 1.505 -7.460 -2.264 350 HA ASN 48 HA ASN 48 0.691 -8.253 -4.770 351 1HB ASN 48 2HB ASN 48 1.765 -10.416 -4.208 352 2HB ASN 48 1HB ASN 48 2.740 -9.094 -3.595 353 1HD2 ASN 48 1HD2 ASN 48 2.737 -8.596 -1.387 354 2HD2 ASN 48 2HD2 ASN 48 2.270 -9.745 -0.177 355 H SER 49 H SER 49 -0.341 -9.270 -1.436 356 HA SER 49 HA SER 49 -2.973 -9.609 -2.110 357 1HB SER 49 2HB SER 49 -1.859 -11.578 -3.425 358 2HB SER 49 1HB SER 49 -1.663 -12.335 -1.857 359 HG SER 49 HG SER 49 -3.930 -12.108 -3.416 360 H THR 50 H THR 50 -0.156 -10.718 -0.185 361 HA THR 50 HA THR 50 -1.750 -11.327 2.127 362 HB THR 50 HB THR 50 0.673 -12.164 1.195 363 HG1 THR 50 1HG THR 50 0.003 -11.692 4.010 364 1HG2 THR 50 1HG2 THR 50 1.726 -9.895 1.718 365 2HG2 THR 50 2HG2 THR 50 1.298 -10.163 3.425 366 3HG2 THR 50 3HG2 THR 50 2.450 -11.253 2.616 367 H ASP 51 H ASP 51 0.236 -8.575 0.957 368 HA ASP 51 HA ASP 51 0.023 -7.206 3.405 369 1HB ASP 51 2HB ASP 51 0.386 -5.606 0.917 370 2HB ASP 51 1HB ASP 51 1.349 -5.616 2.382 371 H LEU 52 H LEU 52 -1.689 -7.197 0.222 372 HA LEU 52 HA LEU 52 -3.206 -4.994 0.324 373 1HB LEU 52 2HB LEU 52 -3.151 -7.273 -1.161 374 2HB LEU 52 1HB LEU 52 -4.705 -7.437 -0.368 375 HG LEU 52 HG LEU 52 -4.237 -4.764 -1.514 376 1HD1 LEU 52 1HD1 LEU 52 -4.873 -6.756 -3.613 377 2HD1 LEU 52 2HD1 LEU 52 -3.967 -5.227 -3.706 378 3HD1 LEU 52 3HD1 LEU 52 -3.178 -6.691 -3.074 379 1HD2 LEU 52 1HD2 LEU 52 -6.528 -6.470 -2.319 380 2HD2 LEU 52 2HD2 LEU 52 -6.392 -6.073 -0.589 381 3HD2 LEU 52 3HD2 LEU 52 -6.481 -4.769 -1.797 382 H GLY 53 H GLY 53 -4.223 -8.153 1.817 383 1HA GLY 53 2HA GLY 53 -6.490 -7.258 3.094 384 2HA GLY 53 1HA GLY 53 -5.473 -8.579 3.637 385 H ILE 54 H ILE 54 -3.172 -7.600 4.564 386 HA ILE 54 HA ILE 54 -3.748 -6.533 7.003 387 HB ILE 54 HB ILE 54 -1.510 -7.397 5.632 388 1HG1 ILE 54 2HG1 ILE 54 -2.054 -7.927 7.937 389 2HG1 ILE 54 1HG1 ILE 54 -0.419 -7.303 7.827 390 1HG2 ILE 54 1HG2 ILE 54 -0.950 -5.206 4.821 391 2HG2 ILE 54 2HG2 ILE 54 -1.123 -4.506 6.447 392 3HG2 ILE 54 3HG2 ILE 54 0.197 -5.649 6.107 393 1HD1 ILE 54 1HD1 ILE 54 -2.609 -6.292 9.397 394 2HD1 ILE 54 2HD1 ILE 54 -0.936 -5.690 9.325 395 3HD1 ILE 54 3HD1 ILE 54 -2.162 -5.048 8.205 396 H LEU 55 H LEU 55 -2.702 -4.767 4.014 397 HA LEU 55 HA LEU 55 -2.734 -2.237 5.175 398 1HB LEU 55 2HB LEU 55 -2.917 -3.297 2.379 399 2HB LEU 55 1HB LEU 55 -3.157 -1.588 2.679 400 HG LEU 55 HG LEU 55 -0.809 -2.211 4.071 401 1HD1 LEU 55 1HD1 LEU 55 -0.041 -4.107 3.161 402 2HD1 LEU 55 2HD1 LEU 55 -1.159 -4.015 1.778 403 3HD1 LEU 55 3HD1 LEU 55 0.361 -3.089 1.757 404 1HD2 LEU 55 1HD2 LEU 55 -0.721 -1.095 1.291 405 2HD2 LEU 55 2HD2 LEU 55 -1.590 -0.212 2.569 406 3HD2 LEU 55 3HD2 LEU 55 0.142 -0.579 2.758 407 H LYS 56 H LYS 56 -5.256 -3.812 3.076 408 HA LYS 56 HA LYS 56 -7.158 -1.823 3.514 409 1HB LYS 56 2HB LYS 56 -8.506 -3.090 2.188 410 2HB LYS 56 1HB LYS 56 -6.966 -3.822 1.782 411 1HG LYS 56 2HG LYS 56 -8.074 -5.769 2.313 412 2HG LYS 56 1HG LYS 56 -7.582 -5.349 3.942 413 1HD LYS 56 2HD LYS 56 -9.944 -3.883 3.621 414 2HD LYS 56 1HD LYS 56 -10.286 -5.359 2.740 415 1HE LYS 56 2HE LYS 56 -8.997 -6.215 5.122 416 2HE LYS 56 1HE LYS 56 -10.087 -4.941 5.632 417 1HZ LYS 56 1HZ LYS 56 -11.475 -6.467 3.826 418 2HZ LYS 56 2HZ LYS 56 -10.712 -7.534 4.798 419 3HZ LYS 56 3HZ LYS 56 -11.699 -6.405 5.443 420 H ARG 57 H ARG 57 -5.767 -3.967 5.724 421 HA ARG 57 HA ARG 57 -8.189 -4.283 7.239 422 1HB ARG 57 2HB ARG 57 -5.496 -5.519 7.187 423 2HB ARG 57 1HB ARG 57 -6.065 -5.221 8.818 424 1HG ARG 57 2HG ARG 57 -8.311 -6.273 7.424 425 2HG ARG 57 1HG ARG 57 -6.949 -7.244 6.900 426 1HD ARG 57 2HD ARG 57 -6.567 -8.121 9.022 427 2HD ARG 57 1HD ARG 57 -7.105 -6.669 9.843 428 HE ARG 57 HE ARG 57 -9.329 -7.459 9.785 429 1HH1 ARG 57 2HH2 ARG 57 -7.273 -9.474 7.761 430 2HH1 ARG 57 1HH2 ARG 57 -8.472 -10.704 7.547 431 1HH2 ARG 57 2HH1 ARG 57 -10.911 -9.084 9.503 432 2HH2 ARG 57 1HH1 ARG 57 -10.555 -10.481 8.544 433 H TYR 58 H TYR 58 -4.908 -2.757 7.502 434 HA TYR 58 HA TYR 58 -5.643 -1.452 9.972 435 1HB TYR 58 2HB TYR 58 -3.308 -1.207 10.064 436 2HB TYR 58 1HB TYR 58 -3.327 -2.417 8.797 437 HD1 TYR 58 1HD TYR 58 -2.010 -1.972 6.948 438 HD2 TYR 58 2HD TYR 58 -3.746 1.312 9.071 439 HE1 TYR 58 1HE TYR 58 -0.854 -0.338 5.379 440 HE2 TYR 58 2HE TYR 58 -2.585 2.935 7.495 441 HH TYR 58 HH TYR 58 -1.657 3.007 5.353 442 H ILE 59 H ILE 59 -5.130 -0.638 6.502 443 HA ILE 59 HA ILE 59 -5.259 2.137 6.829 444 HB ILE 59 HB ILE 59 -5.358 2.248 4.511 445 1HG1 ILE 59 2HG1 ILE 59 -6.799 -0.395 4.645 446 2HG1 ILE 59 1HG1 ILE 59 -7.329 1.115 3.931 447 1HG2 ILE 59 1HG2 ILE 59 -4.061 -0.220 4.078 448 2HG2 ILE 59 2HG2 ILE 59 -3.326 1.371 4.389 449 3HG2 ILE 59 3HG2 ILE 59 -3.675 0.271 5.745 450 1HD1 ILE 59 1HD1 ILE 59 -5.079 0.718 2.452 451 2HD1 ILE 59 2HD1 ILE 59 -5.494 -0.972 2.824 452 3HD1 ILE 59 3HD1 ILE 59 -6.670 0.068 1.987 453 H LEU 60 H LEU 60 -7.622 -0.304 7.305 454 HA LEU 60 HA LEU 60 -9.921 0.916 6.362 455 1HB LEU 60 2HB LEU 60 -9.339 -1.418 7.536 456 2HB LEU 60 1HB LEU 60 -10.017 -0.588 8.922 457 HG LEU 60 HG LEU 60 -11.976 -0.040 7.206 458 1HD1 LEU 60 1HD1 LEU 60 -10.915 -1.038 5.261 459 2HD1 LEU 60 2HD1 LEU 60 -10.798 -2.604 6.099 460 3HD1 LEU 60 3HD1 LEU 60 -12.395 -1.932 5.689 461 1HD2 LEU 60 1HD2 LEU 60 -13.229 -1.837 8.143 462 2HD2 LEU 60 2HD2 LEU 60 -11.757 -2.784 8.463 463 3HD2 LEU 60 3HD2 LEU 60 -12.072 -1.293 9.381 464 H LYS 61 H LYS 61 -7.917 1.555 9.236 465 HA LYS 61 HA LYS 61 -8.869 4.129 9.542 466 1HB LYS 61 2HB LYS 61 -10.172 3.825 11.698 467 2HB LYS 61 1HB LYS 61 -10.999 3.394 10.215 468 1HG LYS 61 2HG LYS 61 -11.470 1.460 11.372 469 2HG LYS 61 1HG LYS 61 -9.893 0.976 10.781 470 1HD LYS 61 2HD LYS 61 -8.905 1.147 12.858 471 2HD LYS 61 1HD LYS 61 -9.832 2.566 13.304 472 1HE LYS 61 2HE LYS 61 -11.881 0.978 13.489 473 2HE LYS 61 1HE LYS 61 -10.734 -0.344 13.396 474 1HZ LYS 61 1HZ LYS 61 -10.954 1.706 15.463 475 2HZ LYS 61 2HZ LYS 61 -10.942 0.082 15.632 476 3HZ LYS 61 3HZ LYS 61 -9.562 0.874 15.267 477 H GLU 62 H GLU 62 -7.568 1.144 11.026 478 HA GLU 62 HA GLU 62 -6.299 2.228 13.167 479 1HB GLU 62 2HB GLU 62 -5.438 -0.046 11.330 480 2HB GLU 62 1HB GLU 62 -4.646 0.305 12.853 481 1HG GLU 62 2HG GLU 62 -7.617 -0.332 12.534 482 2HG GLU 62 1HG GLU 62 -6.400 -1.471 13.075 483 H ILE 63 H ILE 63 -5.705 2.792 9.792 484 HA ILE 63 HA ILE 63 -3.145 3.153 9.366 485 HB ILE 63 HB ILE 63 -4.760 3.837 7.776 486 1HG1 ILE 63 2HG1 ILE 63 -2.491 4.937 7.769 487 2HG1 ILE 63 1HG1 ILE 63 -3.751 5.782 6.890 488 1HG2 ILE 63 1HG2 ILE 63 -5.875 6.191 8.221 489 2HG2 ILE 63 2HG2 ILE 63 -6.610 4.684 8.821 490 3HG2 ILE 63 3HG2 ILE 63 -5.662 5.712 9.923 491 1HD1 ILE 63 1HD1 ILE 63 -2.290 6.591 9.348 492 2HD1 ILE 63 2HD1 ILE 63 -3.054 7.598 8.094 493 3HD1 ILE 63 3HD1 ILE 63 -4.043 6.894 9.397 494 H ASP 64 H ASP 64 -1.524 3.665 10.741 495 HA ASP 64 HA ASP 64 -0.892 6.083 11.528 496 1HB ASP 64 2HB ASP 64 -3.065 5.045 13.274 497 2HB ASP 64 1HB ASP 64 -1.672 5.630 14.161 498 H THR 65 H THR 65 -1.207 2.651 12.242 499 HA THR 65 HA THR 65 1.536 2.627 13.258 500 HB THR 65 HB THR 65 0.102 2.627 15.269 501 HG1 THR 65 1HG THR 65 1.279 0.868 15.972 502 1HG2 THR 65 1HG2 THR 65 -1.123 -0.004 14.437 503 2HG2 THR 65 2HG2 THR 65 -1.735 1.206 15.590 504 3HG2 THR 65 3HG2 THR 65 -1.886 1.489 13.840 505 H LEU 66 H LEU 66 -1.313 0.755 12.069 506 HA LEU 66 HA LEU 66 -1.439 -0.942 10.664 507 1HB LEU 66 2HB LEU 66 -0.238 0.284 9.071 508 2HB LEU 66 1HB LEU 66 1.283 0.087 9.919 509 HG LEU 66 HG LEU 66 -0.096 -2.355 8.859 510 1HD1 LEU 66 1HD1 LEU 66 1.730 -1.457 6.876 511 2HD1 LEU 66 2HD1 LEU 66 -0.024 -1.728 6.735 512 3HD1 LEU 66 3HD1 LEU 66 0.594 -0.127 7.207 513 1HD2 LEU 66 1HD2 LEU 66 1.786 -3.308 9.533 514 2HD2 LEU 66 2HD2 LEU 66 2.707 -2.300 8.391 515 3HD2 LEU 66 3HD2 LEU 66 2.420 -1.727 10.051 516 HA PRO 67 HA PRO 67 0.263 -3.866 13.486 517 1HB PRO 67 2HB PRO 67 -1.785 -5.668 13.330 518 2HB PRO 67 1HB PRO 67 -1.767 -4.333 14.466 519 1HG PRO 67 2HG PRO 67 -3.330 -4.626 11.973 520 2HG PRO 67 1HG PRO 67 -3.599 -3.532 13.316 521 1HD PRO 67 2HD PRO 67 -2.462 -2.873 10.766 522 2HD PRO 67 1HD PRO 67 -2.625 -1.807 12.148 523 H TYR 68 H TYR 68 1.762 -3.783 11.427 524 HA TYR 68 HA TYR 68 1.584 -5.504 9.392 525 1HB TYR 68 2HB TYR 68 4.175 -5.796 9.953 526 2HB TYR 68 1HB TYR 68 3.575 -4.178 9.643 527 HD1 TYR 68 1HD TYR 68 4.359 -6.563 12.408 528 HD2 TYR 68 2HD TYR 68 3.810 -2.478 11.262 529 HE1 TYR 68 1HE TYR 68 5.218 -5.803 14.677 530 HE2 TYR 68 2HE TYR 68 4.671 -1.732 13.534 531 HH TYR 68 HH TYR 68 5.704 -2.376 15.364 532 H LYS 69 H LYS 69 2.587 -7.680 8.983 533 HA LYS 69 HA LYS 69 3.132 -9.432 11.092 534 1HB LYS 69 2HB LYS 69 1.124 -10.837 11.063 535 2HB LYS 69 1HB LYS 69 0.779 -9.225 11.657 536 1HG LYS 69 2HG LYS 69 0.033 -8.607 9.286 537 2HG LYS 69 1HG LYS 69 0.200 -10.298 8.857 538 1HD LYS 69 2HD LYS 69 -1.344 -10.034 11.327 539 2HD LYS 69 1HD LYS 69 -2.049 -9.042 10.066 540 1HE LYS 69 2HE LYS 69 -3.095 -11.045 9.551 541 2HE LYS 69 1HE LYS 69 -1.649 -11.251 8.581 542 1HZ LYS 69 1HZ LYS 69 -2.408 -12.580 11.008 543 2HZ LYS 69 2HZ LYS 69 -1.503 -13.122 9.761 544 3HZ LYS 69 3HZ LYS 69 -0.828 -12.181 10.912 545 H ASN 70 H ASN 70 4.430 -10.957 10.209 546 HA ASN 70 HA ASN 70 4.884 -10.965 7.486 547 1HB ASN 70 2HB ASN 70 6.420 -11.775 9.411 548 2HB ASN 70 1HB ASN 70 5.501 -13.268 9.403 549 1HD2 ASN 70 1HD2 ASN 70 7.297 -11.055 7.288 550 2HD2 ASN 70 2HD2 ASN 70 7.955 -12.248 6.219 551 H GLY 71 H GLY 71 3.963 -12.205 5.805 552 1HA GLY 71 2HA GLY 71 2.204 -14.446 6.572 553 2HA GLY 71 1HA GLY 71 1.622 -13.173 5.518 Start of MODEL 15 1 H MET 1 H MET 1 0.463 20.375 7.938 2 HA MET 1 HA MET 1 3.267 20.294 7.868 3 1HB MET 1 2HB MET 1 1.847 20.043 10.496 4 2HB MET 1 1HB MET 1 3.008 18.770 10.181 5 1HG MET 1 2HG MET 1 4.479 20.298 11.095 6 2HG MET 1 1HG MET 1 4.541 20.883 9.445 7 1HE MET 1 1HE MET 1 3.455 24.278 9.510 8 2HE MET 1 2HE MET 1 5.018 23.714 10.146 9 3HE MET 1 3HE MET 1 4.264 22.878 8.768 10 H SER 2 H SER 2 4.043 17.881 8.095 11 HA SER 2 HA SER 2 2.846 16.380 6.255 12 1HB SER 2 2HB SER 2 4.769 15.938 8.408 13 2HB SER 2 1HB SER 2 3.807 14.496 8.150 14 HG SER 2 HG SER 2 4.319 14.933 5.746 15 H THR 3 H THR 3 1.682 14.164 6.541 16 HA THR 3 HA THR 3 -0.263 14.324 8.743 17 HB THR 3 HB THR 3 -2.001 13.655 7.052 18 HG1 THR 3 1HG THR 3 -0.561 12.671 5.511 19 1HG2 THR 3 1HG2 THR 3 -0.736 16.228 7.215 20 2HG2 THR 3 2HG2 THR 3 -0.995 15.889 5.487 21 3HG2 THR 3 3HG2 THR 3 -2.372 15.865 6.615 22 H LYS 4 H LYS 4 -1.676 12.033 8.344 23 HA LYS 4 HA LYS 4 0.396 10.065 8.885 24 1HB LYS 4 2HB LYS 4 -2.484 10.405 9.606 25 2HB LYS 4 1HB LYS 4 -1.864 8.770 9.490 26 1HG LYS 4 2HG LYS 4 -1.277 9.177 11.687 27 2HG LYS 4 1HG LYS 4 0.162 9.831 10.929 28 1HD LYS 4 2HD LYS 4 -2.111 11.752 11.154 29 2HD LYS 4 1HD LYS 4 -1.444 11.224 12.686 30 1HE LYS 4 2HE LYS 4 0.832 11.735 11.098 31 2HE LYS 4 1HE LYS 4 -0.278 13.021 10.667 32 1HZ LYS 4 1HZ LYS 4 -0.565 13.400 13.073 33 2HZ LYS 4 2HZ LYS 4 0.624 12.323 13.371 34 3HZ LYS 4 3HZ LYS 4 0.952 13.691 12.544 35 H LEU 5 H LEU 5 1.012 8.570 7.417 36 HA LEU 5 HA LEU 5 -0.832 7.390 5.636 37 1HB LEU 5 2HB LEU 5 -0.445 8.376 3.643 38 2HB LEU 5 1HB LEU 5 -0.311 9.772 4.693 39 HG LEU 5 HG LEU 5 1.437 9.864 3.060 40 1HD1 LEU 5 1HD1 LEU 5 3.493 9.446 4.725 41 2HD1 LEU 5 2HD1 LEU 5 2.380 10.826 4.881 42 3HD1 LEU 5 3HD1 LEU 5 2.160 9.386 5.903 43 1HD2 LEU 5 1HD2 LEU 5 2.849 7.411 3.935 44 2HD2 LEU 5 2HD2 LEU 5 1.372 7.169 2.972 45 3HD2 LEU 5 3HD2 LEU 5 2.707 8.150 2.322 46 H TYR 6 H TYR 6 0.099 5.554 4.568 47 HA TYR 6 HA TYR 6 2.930 5.092 5.028 48 1HB TYR 6 2HB TYR 6 1.307 4.318 6.994 49 2HB TYR 6 1HB TYR 6 0.736 3.110 5.859 50 HD1 TYR 6 1HD TYR 6 2.559 3.234 8.627 51 HD2 TYR 6 2HD TYR 6 3.157 2.179 4.523 52 HE1 TYR 6 1HE TYR 6 4.471 1.696 9.293 53 HE2 TYR 6 2HE TYR 6 5.066 0.644 5.204 54 HH TYR 6 HH TYR 6 5.498 -0.586 7.944 55 H GLY 7 H GLY 7 3.736 4.368 3.127 56 1HA GLY 7 2HA GLY 7 3.912 3.247 1.187 57 2HA GLY 7 1HA GLY 7 2.672 2.150 1.760 58 H ASP 8 H ASP 8 2.863 5.645 0.743 59 HA ASP 8 HA ASP 8 0.263 5.362 -0.436 60 1HB ASP 8 2HB ASP 8 1.568 7.446 0.805 61 2HB ASP 8 1HB ASP 8 1.866 7.848 -0.875 62 H VAL 9 H VAL 9 0.029 4.813 -2.612 63 HA VAL 9 HA VAL 9 2.351 4.570 -4.250 64 HB VAL 9 HB VAL 9 -0.605 4.187 -4.744 65 1HG1 VAL 9 1HG1 VAL 9 1.509 3.078 -6.565 66 2HG1 VAL 9 2HG1 VAL 9 -0.204 3.431 -6.890 67 3HG1 VAL 9 3HG1 VAL 9 0.971 4.762 -6.771 68 1HG2 VAL 9 1HG2 VAL 9 1.154 1.851 -4.868 69 2HG2 VAL 9 2HG2 VAL 9 1.177 2.650 -3.278 70 3HG2 VAL 9 3HG2 VAL 9 -0.365 2.096 -3.974 71 H ASN 10 H ASN 10 -0.732 6.480 -4.567 72 HA ASN 10 HA ASN 10 0.746 8.260 -6.312 73 1HB ASN 10 2HB ASN 10 -1.685 9.206 -6.661 74 2HB ASN 10 1HB ASN 10 -1.293 7.653 -7.371 75 1HD2 ASN 10 1HD2 ASN 10 -3.759 7.756 -7.227 76 2HD2 ASN 10 2HD2 ASN 10 -4.492 7.008 -5.848 77 H ASP 11 H ASP 11 1.092 8.195 -3.342 78 HA ASP 11 HA ASP 11 1.074 9.464 -1.577 79 1HB ASP 11 2HB ASP 11 2.111 10.953 -3.559 80 2HB ASP 11 1HB ASP 11 0.700 11.947 -3.258 81 H ASP 12 H ASP 12 -1.520 8.485 -2.239 82 HA ASP 12 HA ASP 12 -3.298 10.740 -2.054 83 1HB ASP 12 2HB ASP 12 -4.148 9.101 -3.521 84 2HB ASP 12 1HB ASP 12 -3.580 7.772 -2.532 85 H GLY 13 H GLY 13 -2.651 7.581 -0.340 86 1HA GLY 13 2HA GLY 13 -2.888 8.829 2.245 87 2HA GLY 13 1HA GLY 13 -4.252 7.805 1.841 88 H LYS 14 H LYS 14 -2.938 5.797 0.265 89 HA LYS 14 HA LYS 14 -0.649 4.789 1.532 90 1HB LYS 14 2HB LYS 14 -1.532 3.008 2.869 91 2HB LYS 14 1HB LYS 14 -2.233 4.512 3.431 92 1HG LYS 14 2HG LYS 14 -3.724 2.965 1.310 93 2HG LYS 14 1HG LYS 14 -3.746 2.340 2.947 94 1HD LYS 14 2HD LYS 14 -5.326 3.861 3.517 95 2HD LYS 14 1HD LYS 14 -4.217 5.164 3.139 96 1HE LYS 14 2HE LYS 14 -4.955 4.519 0.605 97 2HE LYS 14 1HE LYS 14 -6.391 3.964 1.442 98 1HZ LYS 14 1HZ LYS 14 -7.008 6.041 1.756 99 2HZ LYS 14 2HZ LYS 14 -5.576 6.480 2.407 100 3HZ LYS 14 3HZ LYS 14 -5.788 6.533 0.788 101 H VAL 15 H VAL 15 -1.087 2.014 1.113 102 HA VAL 15 HA VAL 15 -1.656 2.035 -1.771 103 HB VAL 15 HB VAL 15 0.663 1.696 -1.412 104 1HG1 VAL 15 1HG1 VAL 15 -0.088 -0.440 0.613 105 2HG1 VAL 15 2HG1 VAL 15 1.564 -0.075 0.058 106 3HG1 VAL 15 3HG1 VAL 15 0.639 1.147 0.965 107 1HG2 VAL 15 1HG2 VAL 15 -1.026 -0.401 -2.459 108 2HG2 VAL 15 2HG2 VAL 15 0.561 0.167 -3.032 109 3HG2 VAL 15 3HG2 VAL 15 0.466 -1.095 -1.781 110 H ASN 16 H ASN 16 -3.720 1.284 -1.995 111 HA ASN 16 HA ASN 16 -4.213 -1.306 -0.801 112 1HB ASN 16 2HB ASN 16 -6.562 -0.584 -0.211 113 2HB ASN 16 1HB ASN 16 -5.344 0.266 0.718 114 1HD2 ASN 16 1HD2 ASN 16 -4.448 2.270 -0.536 115 2HD2 ASN 16 2HD2 ASN 16 -5.646 3.360 -1.150 116 H SER 17 H SER 17 -6.821 -1.730 -1.754 117 HA SER 17 HA SER 17 -6.463 -2.360 -4.352 118 1HB SER 17 2HB SER 17 -8.293 -3.355 -3.219 119 2HB SER 17 1HB SER 17 -8.943 -1.811 -2.704 120 HG SER 17 HG SER 17 -9.681 -1.385 -4.806 121 H THR 18 H THR 18 -7.155 0.777 -2.938 122 HA THR 18 HA THR 18 -8.361 1.988 -5.189 123 HB THR 18 HB THR 18 -6.816 3.054 -2.769 124 HG1 THR 18 1HG THR 18 -8.996 3.216 -2.011 125 1HG2 THR 18 1HG2 THR 18 -7.235 4.595 -4.961 126 2HG2 THR 18 2HG2 THR 18 -8.874 4.665 -4.270 127 3HG2 THR 18 3HG2 THR 18 -7.481 5.227 -3.316 128 H ASP 19 H ASP 19 -4.934 1.774 -4.063 129 HA ASP 19 HA ASP 19 -4.158 3.102 -6.500 130 1HB ASP 19 2HB ASP 19 -2.607 2.117 -4.064 131 2HB ASP 19 1HB ASP 19 -1.820 2.821 -5.462 132 H ALA 20 H ALA 20 -5.395 0.382 -6.547 133 HA ALA 20 HA ALA 20 -3.245 -1.484 -6.920 134 1HB ALA 20 1HB ALA 20 -5.763 -1.796 -6.106 135 2HB ALA 20 2HB ALA 20 -6.057 -1.978 -7.852 136 3HB ALA 20 3HB ALA 20 -4.925 -3.071 -7.022 137 H VAL 21 H VAL 21 -4.313 1.140 -8.675 138 HA VAL 21 HA VAL 21 -4.386 -0.060 -11.269 139 HB VAL 21 HB VAL 21 -4.511 2.686 -10.105 140 1HG1 VAL 21 1HG1 VAL 21 -3.408 2.029 -12.765 141 2HG1 VAL 21 2HG1 VAL 21 -4.723 3.228 -12.775 142 3HG1 VAL 21 3HG1 VAL 21 -3.266 3.514 -11.795 143 1HG2 VAL 21 1HG2 VAL 21 -6.646 2.754 -11.044 144 2HG2 VAL 21 2HG2 VAL 21 -6.259 1.519 -12.265 145 3HG2 VAL 21 3HG2 VAL 21 -6.478 1.048 -10.563 146 H ALA 22 H ALA 22 -2.092 2.244 -9.631 147 HA ALA 22 HA ALA 22 -0.111 1.941 -11.593 148 1HB ALA 22 1HB ALA 22 -0.463 3.225 -8.956 149 2HB ALA 22 2HB ALA 22 1.211 2.732 -9.305 150 3HB ALA 22 3HB ALA 22 0.354 3.824 -10.420 151 H LEU 23 H LEU 23 -1.089 0.014 -8.803 152 HA LEU 23 HA LEU 23 1.377 -1.342 -8.491 153 1HB LEU 23 2HB LEU 23 -0.056 -1.272 -6.642 154 2HB LEU 23 1HB LEU 23 -1.445 -1.800 -7.571 155 HG LEU 23 HG LEU 23 -0.374 -3.458 -5.936 156 1HD1 LEU 23 1HD1 LEU 23 -0.439 -4.945 -8.443 157 2HD1 LEU 23 2HD1 LEU 23 -1.524 -5.019 -7.033 158 3HD1 LEU 23 3HD1 LEU 23 -1.789 -3.794 -8.297 159 1HD2 LEU 23 1HD2 LEU 23 1.769 -3.264 -8.016 160 2HD2 LEU 23 2HD2 LEU 23 1.897 -3.428 -6.249 161 3HD2 LEU 23 3HD2 LEU 23 1.448 -4.835 -7.244 162 H LYS 24 H LYS 24 -1.784 -2.282 -10.024 163 HA LYS 24 HA LYS 24 -1.074 -4.716 -10.979 164 1HB LYS 24 2HB LYS 24 -3.310 -3.497 -11.101 165 2HB LYS 24 1HB LYS 24 -2.716 -2.723 -12.556 166 1HG LYS 24 2HG LYS 24 -2.440 -5.715 -12.385 167 2HG LYS 24 1HG LYS 24 -4.056 -5.075 -12.610 168 1HD LYS 24 2HD LYS 24 -3.541 -4.115 -14.702 169 2HD LYS 24 1HD LYS 24 -1.827 -4.009 -14.353 170 1HE LYS 24 2HE LYS 24 -1.511 -5.972 -15.443 171 2HE LYS 24 1HE LYS 24 -2.461 -6.785 -14.215 172 1HZ LYS 24 1HZ LYS 24 -3.223 -5.982 -16.851 173 2HZ LYS 24 2HZ LYS 24 -3.803 -7.193 -15.922 174 3HZ LYS 24 3HZ LYS 24 -4.351 -5.670 -15.711 175 H ARG 25 H ARG 25 -0.148 -1.493 -12.231 176 HA ARG 25 HA ARG 25 1.050 -2.643 -14.536 177 1HB ARG 25 2HB ARG 25 0.889 0.140 -13.337 178 2HB ARG 25 1HB ARG 25 2.038 -0.168 -14.625 179 1HG ARG 25 2HG ARG 25 0.347 0.139 -16.105 180 2HG ARG 25 1HG ARG 25 -0.343 -1.371 -15.543 181 1HD ARG 25 2HD ARG 25 -2.008 -0.316 -14.369 182 2HD ARG 25 1HD ARG 25 -0.922 0.901 -13.729 183 HE ARG 25 HE ARG 25 -2.552 1.122 -16.143 184 1HH1 ARG 25 2HH2 ARG 25 0.359 2.286 -14.544 185 2HH1 ARG 25 1HH2 ARG 25 0.395 3.780 -15.419 186 1HH2 ARG 25 2HH1 ARG 25 -2.505 3.093 -17.297 187 2HH2 ARG 25 1HH1 ARG 25 -1.245 4.242 -16.996 188 H TYR 26 H TYR 26 1.984 -1.712 -11.242 189 HA TYR 26 HA TYR 26 4.755 -1.494 -11.656 190 1HB TYR 26 2HB TYR 26 3.221 -0.800 -9.666 191 2HB TYR 26 1HB TYR 26 3.138 -2.495 -9.231 192 HD1 TYR 26 1HD TYR 26 5.924 -0.158 -10.196 193 HD2 TYR 26 2HD TYR 26 4.415 -2.992 -7.369 194 HE1 TYR 26 1HE TYR 26 8.041 0.087 -8.810 195 HE2 TYR 26 2HE TYR 26 6.538 -2.739 -5.993 196 HH TYR 26 HH TYR 26 8.301 -0.688 -5.768 197 H VAL 27 H VAL 27 2.559 -4.264 -11.103 198 HA VAL 27 HA VAL 27 4.832 -6.043 -10.791 199 HB VAL 27 HB VAL 27 2.078 -7.099 -10.994 200 1HG1 VAL 27 1HG1 VAL 27 4.478 -8.067 -10.121 201 2HG1 VAL 27 2HG1 VAL 27 3.729 -7.565 -8.587 202 3HG1 VAL 27 3HG1 VAL 27 2.891 -8.721 -9.649 203 1HG2 VAL 27 1HG2 VAL 27 1.296 -5.275 -9.820 204 2HG2 VAL 27 2HG2 VAL 27 1.808 -6.333 -8.484 205 3HG2 VAL 27 3HG2 VAL 27 2.853 -4.990 -9.005 206 H LEU 28 H LEU 28 2.204 -5.211 -13.101 207 HA LEU 28 HA LEU 28 2.845 -7.303 -14.900 208 1HB LEU 28 2HB LEU 28 0.648 -6.413 -14.884 209 2HB LEU 28 1HB LEU 28 1.224 -4.772 -15.108 210 HG LEU 28 HG LEU 28 2.195 -6.172 -17.338 211 1HD1 LEU 28 1HD1 LEU 28 0.446 -7.921 -16.498 212 2HD1 LEU 28 2HD1 LEU 28 -0.738 -6.788 -17.190 213 3HD1 LEU 28 3HD1 LEU 28 0.526 -7.495 -18.224 214 1HD2 LEU 28 1HD2 LEU 28 -0.348 -4.683 -17.643 215 2HD2 LEU 28 2HD2 LEU 28 0.985 -3.811 -16.848 216 3HD2 LEU 28 3HD2 LEU 28 1.213 -4.492 -18.477 217 H ARG 29 H ARG 29 4.018 -3.997 -14.326 218 HA ARG 29 HA ARG 29 5.859 -4.451 -16.535 219 1HB ARG 29 2HB ARG 29 4.205 -2.618 -17.031 220 2HB ARG 29 1HB ARG 29 4.727 -1.767 -15.591 221 1HG ARG 29 2HG ARG 29 6.889 -2.561 -17.514 222 2HG ARG 29 1HG ARG 29 5.789 -1.312 -18.063 223 1HD ARG 29 2HD ARG 29 6.227 -0.146 -15.776 224 2HD ARG 29 1HD ARG 29 7.558 -1.271 -15.580 225 HE ARG 29 HE ARG 29 8.780 0.008 -17.095 226 1HH1 ARG 29 2HH2 ARG 29 5.355 0.551 -17.690 227 2HH1 ARG 29 1HH2 ARG 29 5.626 1.748 -18.913 228 1HH2 ARG 29 2HH1 ARG 29 9.138 1.585 -18.709 229 2HH2 ARG 29 1HH1 ARG 29 7.793 2.339 -19.496 230 H SER 30 H SER 30 5.415 -2.164 -13.725 231 HA SER 30 HA SER 30 6.648 -1.975 -11.893 232 1HB SER 30 2HB SER 30 7.571 -4.385 -12.528 233 2HB SER 30 1HB SER 30 8.996 -3.499 -13.037 234 HG SER 30 HG SER 30 7.797 -3.512 -10.402 235 H GLY 31 H GLY 31 6.453 0.017 -13.680 236 1HA GLY 31 2HA GLY 31 9.096 1.251 -13.597 237 2HA GLY 31 1HA GLY 31 8.379 1.038 -15.182 238 H ILE 32 H ILE 32 6.922 1.870 -11.957 239 HA ILE 32 HA ILE 32 5.969 4.355 -13.199 240 HB ILE 32 HB ILE 32 4.005 3.999 -11.536 241 1HG1 ILE 32 2HG1 ILE 32 3.389 1.620 -11.252 242 2HG1 ILE 32 1HG1 ILE 32 4.935 1.138 -11.923 243 1HG2 ILE 32 1HG2 ILE 32 3.715 4.152 -13.925 244 2HG2 ILE 32 2HG2 ILE 32 4.280 2.478 -14.142 245 3HG2 ILE 32 3HG2 ILE 32 2.744 2.797 -13.300 246 1HD1 ILE 32 1HD1 ILE 32 6.134 1.815 -10.047 247 2HD1 ILE 32 2HD1 ILE 32 4.966 3.093 -9.633 248 3HD1 ILE 32 3HD1 ILE 32 4.584 1.391 -9.280 249 H SER 33 H SER 33 5.417 6.062 -11.500 250 HA SER 33 HA SER 33 7.581 6.012 -9.585 251 1HB SER 33 2HB SER 33 6.045 8.104 -11.037 252 2HB SER 33 1HB SER 33 6.431 8.517 -9.378 253 HG SER 33 HG SER 33 8.645 8.288 -9.802 254 H ILE 34 H ILE 34 7.169 5.463 -7.478 255 HA ILE 34 HA ILE 34 4.697 6.351 -6.273 256 HB ILE 34 HB ILE 34 4.126 4.113 -5.444 257 1HG1 ILE 34 2HG1 ILE 34 6.022 2.967 -7.495 258 2HG1 ILE 34 1HG1 ILE 34 6.506 3.219 -5.830 259 1HG2 ILE 34 1HG2 ILE 34 3.189 3.248 -7.582 260 2HG2 ILE 34 2HG2 ILE 34 2.892 4.983 -7.311 261 3HG2 ILE 34 3HG2 ILE 34 4.156 4.464 -8.451 262 1HD1 ILE 34 1HD1 ILE 34 5.697 0.943 -6.015 263 2HD1 ILE 34 2HD1 ILE 34 4.474 1.865 -5.108 264 3HD1 ILE 34 3HD1 ILE 34 4.207 1.481 -6.825 265 H ASN 35 H ASN 35 4.759 5.625 -3.820 266 HA ASN 35 HA ASN 35 7.287 6.538 -2.905 267 1HB ASN 35 2HB ASN 35 6.215 6.798 -0.798 268 2HB ASN 35 1HB ASN 35 4.894 7.026 -1.927 269 1HD2 ASN 35 1HD2 ASN 35 4.776 4.241 -2.731 270 2HD2 ASN 35 2HD2 ASN 35 4.039 3.350 -1.441 271 H THR 36 H THR 36 7.679 4.102 -4.248 272 HA THR 36 HA THR 36 7.378 1.724 -3.032 273 HB THR 36 HB THR 36 8.488 1.978 -5.191 274 HG1 THR 36 1HG THR 36 9.164 0.177 -3.797 275 1HG2 THR 36 1HG2 THR 36 11.155 2.703 -4.357 276 2HG2 THR 36 2HG2 THR 36 10.112 3.546 -5.527 277 3HG2 THR 36 3HG2 THR 36 10.047 3.980 -3.802 278 H ASP 37 H ASP 37 9.351 4.414 -1.865 279 HA ASP 37 HA ASP 37 11.170 3.321 -0.321 280 1HB ASP 37 2HB ASP 37 9.325 5.638 -0.012 281 2HB ASP 37 1HB ASP 37 10.053 5.103 1.490 282 H ASN 38 H ASN 38 7.939 4.170 1.138 283 HA ASN 38 HA ASN 38 8.227 1.789 2.789 284 1HB ASN 38 2HB ASN 38 6.285 3.158 4.081 285 2HB ASN 38 1HB ASN 38 7.982 3.495 4.361 286 1HD2 ASN 38 1HD2 ASN 38 5.230 4.990 4.111 287 2HD2 ASN 38 2HD2 ASN 38 5.633 6.446 3.263 288 H ALA 39 H ALA 39 7.252 1.610 0.069 289 HA ALA 39 HA ALA 39 4.455 1.833 -0.092 290 1HB ALA 39 1HB ALA 39 6.623 0.412 -1.647 291 2HB ALA 39 2HB ALA 39 4.907 0.156 -2.046 292 3HB ALA 39 3HB ALA 39 5.608 1.790 -2.135 293 H ASP 40 H ASP 40 6.473 -1.194 0.012 294 HA ASP 40 HA ASP 40 4.242 -2.382 1.464 295 1HB ASP 40 2HB ASP 40 4.427 -3.654 -0.501 296 2HB ASP 40 1HB ASP 40 6.160 -3.422 -0.614 297 H LEU 41 H LEU 41 5.040 -4.266 2.978 298 HA LEU 41 HA LEU 41 7.608 -3.473 4.168 299 1HB LEU 41 2HB LEU 41 5.088 -4.502 5.477 300 2HB LEU 41 1HB LEU 41 6.629 -4.338 6.297 301 HG LEU 41 HG LEU 41 5.531 -2.411 6.929 302 1HD1 LEU 41 1HD1 LEU 41 6.557 -0.515 5.758 303 2HD1 LEU 41 2HD1 LEU 41 7.720 -1.834 6.030 304 3HD1 LEU 41 3HD1 LEU 41 7.011 -1.591 4.415 305 1HD2 LEU 41 1HD2 LEU 41 3.569 -2.753 5.470 306 2HD2 LEU 41 2HD2 LEU 41 4.085 -1.051 5.543 307 3HD2 LEU 41 3HD2 LEU 41 4.473 -2.039 4.114 308 H ASN 42 H ASN 42 5.576 -6.022 2.827 309 HA ASN 42 HA ASN 42 6.909 -8.185 3.920 310 1HB ASN 42 2HB ASN 42 5.431 -7.834 1.263 311 2HB ASN 42 1HB ASN 42 6.003 -9.392 1.826 312 1HD2 ASN 42 1HD2 ASN 42 5.536 -9.449 4.440 313 2HD2 ASN 42 2HD2 ASN 42 3.853 -9.297 4.819 314 H GLU 43 H GLU 43 7.949 -5.737 1.752 315 HA GLU 43 HA GLU 43 9.796 -5.423 0.647 316 1HB GLU 43 2HB GLU 43 10.501 -7.765 2.283 317 2HB GLU 43 1HB GLU 43 11.400 -7.721 0.780 318 1HG GLU 43 2HG GLU 43 11.948 -5.267 1.296 319 2HG GLU 43 1HG GLU 43 11.241 -5.514 2.881 320 H ASP 44 H ASP 44 7.481 -6.396 -0.670 321 HA ASP 44 HA ASP 44 8.682 -8.124 -2.688 322 1HB ASP 44 2HB ASP 44 5.754 -7.825 -2.808 323 2HB ASP 44 1HB ASP 44 6.720 -9.286 -2.820 324 H GLY 45 H GLY 45 6.831 -5.169 -1.892 325 1HA GLY 45 2HA GLY 45 7.650 -3.532 -3.846 326 2HA GLY 45 1HA GLY 45 6.403 -4.445 -4.670 327 H ARG 46 H ARG 46 4.191 -4.555 -3.606 328 HA ARG 46 HA ARG 46 3.759 -2.328 -1.813 329 1HB ARG 46 2HB ARG 46 2.172 -2.800 -4.389 330 2HB ARG 46 1HB ARG 46 1.765 -1.603 -3.174 331 1HG ARG 46 2HG ARG 46 3.500 -0.190 -3.773 332 2HG ARG 46 1HG ARG 46 4.581 -1.507 -4.183 333 1HD ARG 46 2HD ARG 46 4.020 -0.405 -6.262 334 2HD ARG 46 1HD ARG 46 3.160 -1.932 -6.261 335 HE ARG 46 HE ARG 46 1.280 -0.304 -5.162 336 1HH1 ARG 46 2HH2 ARG 46 3.345 0.149 -7.975 337 2HH1 ARG 46 1HH2 ARG 46 2.210 1.162 -8.803 338 1HH2 ARG 46 2HH1 ARG 46 -0.218 1.032 -6.255 339 2HH2 ARG 46 1HH1 ARG 46 0.170 1.668 -7.819 340 H VAL 47 H VAL 47 1.677 -4.572 -3.790 341 HA VAL 47 HA VAL 47 0.923 -5.965 -1.355 342 HB VAL 47 HB VAL 47 -1.432 -5.650 -1.718 343 1HG1 VAL 47 1HG1 VAL 47 -1.617 -3.191 -1.269 344 2HG1 VAL 47 2HG1 VAL 47 -0.403 -4.025 -0.269 345 3HG1 VAL 47 3HG1 VAL 47 0.114 -3.039 -1.658 346 1HG2 VAL 47 1HG2 VAL 47 -0.547 -4.599 -4.305 347 2HG2 VAL 47 2HG2 VAL 47 -2.120 -5.276 -3.819 348 3HG2 VAL 47 3HG2 VAL 47 -1.754 -3.562 -3.509 349 H ASN 48 H ASN 48 1.742 -7.925 -2.017 350 HA ASN 48 HA ASN 48 1.624 -8.745 -4.684 351 1HB ASN 48 2HB ASN 48 2.834 -9.634 -2.275 352 2HB ASN 48 1HB ASN 48 1.776 -10.954 -2.736 353 1HD2 ASN 48 1HD2 ASN 48 4.046 -8.633 -4.200 354 2HD2 ASN 48 2HD2 ASN 48 4.828 -9.739 -5.279 355 H SER 49 H SER 49 -0.339 -9.349 -1.713 356 HA SER 49 HA SER 49 -2.684 -9.725 -3.034 357 1HB SER 49 2HB SER 49 -1.016 -12.084 -3.193 358 2HB SER 49 1HB SER 49 -2.401 -12.450 -2.183 359 HG SER 49 HG SER 49 -2.780 -12.836 -4.484 360 H THR 50 H THR 50 -0.536 -10.622 -0.322 361 HA THR 50 HA THR 50 -2.799 -10.818 1.501 362 HB THR 50 HB THR 50 0.217 -11.278 1.721 363 HG1 THR 50 1HG THR 50 -0.529 -13.379 1.469 364 1HG2 THR 50 1HG2 THR 50 -0.418 -12.349 3.945 365 2HG2 THR 50 2HG2 THR 50 -0.533 -10.572 3.952 366 3HG2 THR 50 3HG2 THR 50 -2.007 -11.558 3.807 367 H ASP 51 H ASP 51 0.194 -8.820 1.072 368 HA ASP 51 HA ASP 51 0.032 -7.181 3.115 369 1HB ASP 51 2HB ASP 51 1.295 -7.124 0.671 370 2HB ASP 51 1HB ASP 51 0.236 -5.737 0.502 371 H LEU 52 H LEU 52 -1.773 -6.698 -0.021 372 HA LEU 52 HA LEU 52 -3.145 -4.461 0.453 373 1HB LEU 52 2HB LEU 52 -5.007 -5.502 -0.873 374 2HB LEU 52 1HB LEU 52 -3.414 -5.520 -1.603 375 HG LEU 52 HG LEU 52 -3.315 -7.945 -0.509 376 1HD1 LEU 52 1HD1 LEU 52 -5.898 -7.226 0.190 377 2HD1 LEU 52 2HD1 LEU 52 -6.119 -8.267 -1.237 378 3HD1 LEU 52 3HD1 LEU 52 -5.220 -8.872 0.174 379 1HD2 LEU 52 1HD2 LEU 52 -2.949 -7.771 -2.797 380 2HD2 LEU 52 2HD2 LEU 52 -4.409 -8.784 -2.698 381 3HD2 LEU 52 3HD2 LEU 52 -4.550 -7.058 -3.105 382 H GLY 53 H GLY 53 -4.195 -7.749 1.586 383 1HA GLY 53 2HA GLY 53 -6.488 -7.112 2.898 384 2HA GLY 53 1HA GLY 53 -5.357 -8.341 3.426 385 H ILE 54 H ILE 54 -3.416 -7.560 4.762 386 HA ILE 54 HA ILE 54 -4.232 -6.334 7.038 387 HB ILE 54 HB ILE 54 -1.635 -6.917 5.755 388 1HG1 ILE 54 2HG1 ILE 54 -3.083 -8.394 7.319 389 2HG1 ILE 54 1HG1 ILE 54 -1.347 -8.350 7.544 390 1HG2 ILE 54 1HG2 ILE 54 -0.334 -5.775 7.474 391 2HG2 ILE 54 2HG2 ILE 54 -1.261 -4.612 6.496 392 3HG2 ILE 54 3HG2 ILE 54 -1.818 -5.043 8.130 393 1HD1 ILE 54 1HD1 ILE 54 -3.256 -6.535 9.079 394 2HD1 ILE 54 2HD1 ILE 54 -2.710 -8.118 9.682 395 3HD1 ILE 54 3HD1 ILE 54 -1.529 -6.814 9.410 396 H LEU 55 H LEU 55 -2.960 -4.827 4.039 397 HA LEU 55 HA LEU 55 -2.621 -2.263 5.041 398 1HB LEU 55 2HB LEU 55 -2.964 -3.526 2.383 399 2HB LEU 55 1HB LEU 55 -3.286 -1.806 2.473 400 HG LEU 55 HG LEU 55 -0.948 -2.468 1.800 401 1HD1 LEU 55 1HD1 LEU 55 -1.625 -0.556 3.993 402 2HD1 LEU 55 2HD1 LEU 55 0.088 -0.817 3.586 403 3HD1 LEU 55 3HD1 LEU 55 -1.047 -0.249 2.338 404 1HD2 LEU 55 1HD2 LEU 55 0.040 -2.806 4.503 405 2HD2 LEU 55 2HD2 LEU 55 -1.097 -4.103 4.063 406 3HD2 LEU 55 3HD2 LEU 55 0.331 -3.788 3.048 407 H LYS 56 H LYS 56 -5.445 -3.539 3.132 408 HA LYS 56 HA LYS 56 -7.038 -1.304 3.733 409 1HB LYS 56 2HB LYS 56 -7.173 -3.143 1.847 410 2HB LYS 56 1HB LYS 56 -8.199 -3.972 2.999 411 1HG LYS 56 2HG LYS 56 -9.054 -1.248 3.015 412 2HG LYS 56 1HG LYS 56 -8.819 -1.666 1.329 413 1HD LYS 56 2HD LYS 56 -10.468 -3.331 1.358 414 2HD LYS 56 1HD LYS 56 -10.265 -3.659 3.067 415 1HE LYS 56 2HE LYS 56 -12.222 -2.464 3.255 416 2HE LYS 56 1HE LYS 56 -11.142 -1.082 3.231 417 1HZ LYS 56 1HZ LYS 56 -13.046 -1.841 1.325 418 2HZ LYS 56 2HZ LYS 56 -12.178 -0.460 1.409 419 3HZ LYS 56 3HZ LYS 56 -11.580 -1.754 0.611 420 H ARG 57 H ARG 57 -5.816 -3.633 5.789 421 HA ARG 57 HA ARG 57 -8.225 -3.880 7.333 422 1HB ARG 57 2HB ARG 57 -6.069 -5.565 6.932 423 2HB ARG 57 1HB ARG 57 -5.637 -4.849 8.472 424 1HG ARG 57 2HG ARG 57 -7.279 -5.976 9.590 425 2HG ARG 57 1HG ARG 57 -8.484 -5.609 8.372 426 1HD ARG 57 2HD ARG 57 -6.573 -7.478 7.241 427 2HD ARG 57 1HD ARG 57 -7.103 -8.094 8.794 428 HE ARG 57 HE ARG 57 -9.403 -7.158 7.375 429 1HH1 ARG 57 2HH2 ARG 57 -7.018 -9.740 7.224 430 2HH1 ARG 57 1HH2 ARG 57 -8.084 -10.852 6.432 431 1HH2 ARG 57 2HH1 ARG 57 -10.810 -8.624 6.330 432 2HH2 ARG 57 1HH1 ARG 57 -10.256 -10.213 5.920 433 H TYR 58 H TYR 58 -4.858 -2.557 7.633 434 HA TYR 58 HA TYR 58 -5.588 -1.233 10.113 435 1HB TYR 58 2HB TYR 58 -3.222 -1.111 10.332 436 2HB TYR 58 1HB TYR 58 -3.345 -2.496 9.266 437 HD1 TYR 58 1HD TYR 58 -3.046 1.240 9.120 438 HD2 TYR 58 2HD TYR 58 -2.124 -2.511 7.280 439 HE1 TYR 58 1HE TYR 58 -1.609 2.432 7.394 440 HE2 TYR 58 2HE TYR 58 -0.690 -1.306 5.560 441 HH TYR 58 HH TYR 58 -0.754 1.181 4.590 442 H ILE 59 H ILE 59 -5.040 -0.550 6.663 443 HA ILE 59 HA ILE 59 -4.772 2.256 7.016 444 HB ILE 59 HB ILE 59 -4.694 2.375 4.693 445 1HG1 ILE 59 2HG1 ILE 59 -5.435 -0.123 3.641 446 2HG1 ILE 59 1HG1 ILE 59 -6.694 0.273 4.795 447 1HG2 ILE 59 1HG2 ILE 59 -2.716 1.365 4.881 448 2HG2 ILE 59 2HG2 ILE 59 -3.351 0.140 6.004 449 3HG2 ILE 59 3HG2 ILE 59 -3.521 -0.091 4.248 450 1HD1 ILE 59 1HD1 ILE 59 -7.242 1.203 2.576 451 2HD1 ILE 59 2HD1 ILE 59 -6.960 2.521 3.739 452 3HD1 ILE 59 3HD1 ILE 59 -5.702 2.096 2.554 453 H LEU 60 H LEU 60 -7.438 -0.022 6.925 454 HA LEU 60 HA LEU 60 -9.340 2.106 6.372 455 1HB LEU 60 2HB LEU 60 -9.386 -0.261 5.379 456 2HB LEU 60 1HB LEU 60 -9.958 -0.781 6.954 457 HG LEU 60 HG LEU 60 -11.719 -0.367 5.184 458 1HD1 LEU 60 1HD1 LEU 60 -13.254 -0.015 6.798 459 2HD1 LEU 60 2HD1 LEU 60 -11.846 -0.182 7.875 460 3HD1 LEU 60 3HD1 LEU 60 -12.433 1.435 7.422 461 1HD2 LEU 60 1HD2 LEU 60 -11.454 2.561 5.806 462 2HD2 LEU 60 2HD2 LEU 60 -10.521 1.831 4.477 463 3HD2 LEU 60 3HD2 LEU 60 -12.300 1.754 4.464 464 H LYS 61 H LYS 61 -7.517 1.299 8.954 465 HA LYS 61 HA LYS 61 -9.736 1.761 10.825 466 1HB LYS 61 2HB LYS 61 -7.250 0.070 11.078 467 2HB LYS 61 1HB LYS 61 -8.080 0.678 12.496 468 1HG LYS 61 2HG LYS 61 -10.243 -0.326 11.519 469 2HG LYS 61 1HG LYS 61 -9.240 -1.114 10.317 470 1HD LYS 61 2HD LYS 61 -9.246 -2.798 11.904 471 2HD LYS 61 1HD LYS 61 -7.860 -1.900 12.492 472 1HE LYS 61 2HE LYS 61 -10.377 -0.799 13.549 473 2HE LYS 61 1HE LYS 61 -10.211 -2.500 13.937 474 1HZ LYS 61 1HZ LYS 61 -8.905 -0.377 15.107 475 2HZ LYS 61 2HZ LYS 61 -8.713 -1.966 15.435 476 3HZ LYS 61 3HZ LYS 61 -7.759 -1.240 14.328 477 H GLU 62 H GLU 62 -6.573 1.875 12.170 478 HA GLU 62 HA GLU 62 -6.876 4.695 12.516 479 1HB GLU 62 2HB GLU 62 -5.618 2.536 13.924 480 2HB GLU 62 1HB GLU 62 -4.362 3.696 13.541 481 1HG GLU 62 2HG GLU 62 -7.021 4.435 14.851 482 2HG GLU 62 1HG GLU 62 -5.541 4.136 15.743 483 H ILE 63 H ILE 63 -5.637 2.767 10.071 484 HA ILE 63 HA ILE 63 -3.882 2.946 8.652 485 HB ILE 63 HB ILE 63 -5.505 4.057 7.453 486 1HG1 ILE 63 2HG1 ILE 63 -4.330 6.192 6.560 487 2HG1 ILE 63 1HG1 ILE 63 -3.028 5.765 7.651 488 1HG2 ILE 63 1HG2 ILE 63 -6.663 5.270 9.114 489 2HG2 ILE 63 2HG2 ILE 63 -5.255 6.303 9.457 490 3HG2 ILE 63 3HG2 ILE 63 -6.128 6.471 7.915 491 1HD1 ILE 63 1HD1 ILE 63 -2.432 4.699 5.618 492 2HD1 ILE 63 2HD1 ILE 63 -3.157 3.387 6.578 493 3HD1 ILE 63 3HD1 ILE 63 -4.103 4.182 5.296 494 H ASP 64 H ASP 64 -1.993 2.727 9.909 495 HA ASP 64 HA ASP 64 -0.108 4.553 9.695 496 1HB ASP 64 2HB ASP 64 -1.991 5.423 11.746 497 2HB ASP 64 1HB ASP 64 -0.427 5.128 12.478 498 H THR 65 H THR 65 -1.796 2.330 11.949 499 HA THR 65 HA THR 65 0.567 1.482 13.308 500 HB THR 65 HB THR 65 -2.311 0.470 13.093 501 HG1 THR 65 1HG THR 65 -0.571 1.806 15.044 502 1HG2 THR 65 1HG2 THR 65 -1.741 -0.857 15.160 503 2HG2 THR 65 2HG2 THR 65 -0.889 -1.465 13.721 504 3HG2 THR 65 3HG2 THR 65 -0.024 -0.460 14.909 505 H LEU 66 H LEU 66 -1.651 -0.492 11.231 506 HA LEU 66 HA LEU 66 -1.220 -2.051 9.727 507 1HB LEU 66 2HB LEU 66 0.131 -0.275 8.670 508 2HB LEU 66 1HB LEU 66 1.540 -0.835 9.549 509 HG LEU 66 HG LEU 66 0.001 -2.606 7.640 510 1HD1 LEU 66 1HD1 LEU 66 1.098 -0.369 6.730 511 2HD1 LEU 66 2HD1 LEU 66 2.579 -1.351 6.816 512 3HD1 LEU 66 3HD1 LEU 66 1.201 -1.903 5.834 513 1HD2 LEU 66 1HD2 LEU 66 2.519 -2.854 9.216 514 2HD2 LEU 66 2HD2 LEU 66 1.276 -4.068 8.831 515 3HD2 LEU 66 3HD2 LEU 66 2.467 -3.593 7.598 516 HA PRO 67 HA PRO 67 0.550 -4.697 12.845 517 1HB PRO 67 2HB PRO 67 -1.426 -6.585 12.809 518 2HB PRO 67 1HB PRO 67 -1.435 -5.207 13.893 519 1HG PRO 67 2HG PRO 67 -3.043 -5.659 11.453 520 2HG PRO 67 1HG PRO 67 -3.325 -4.525 12.759 521 1HD PRO 67 2HD PRO 67 -2.276 -3.920 10.158 522 2HD PRO 67 1HD PRO 67 -2.450 -2.810 11.503 523 H TYR 68 H TYR 68 1.910 -4.591 10.635 524 HA TYR 68 HA TYR 68 1.755 -6.440 8.729 525 1HB TYR 68 2HB TYR 68 4.351 -6.478 9.017 526 2HB TYR 68 1HB TYR 68 3.631 -4.883 8.908 527 HD1 TYR 68 1HD TYR 68 5.116 -7.359 11.225 528 HD2 TYR 68 2HD TYR 68 3.689 -3.352 10.768 529 HE1 TYR 68 1HE TYR 68 6.182 -6.719 13.443 530 HE2 TYR 68 2HE TYR 68 4.759 -2.726 12.987 531 HH TYR 68 HH TYR 68 7.059 -4.562 14.460 532 H LYS 69 H LYS 69 1.566 -8.617 8.565 533 HA LYS 69 HA LYS 69 2.682 -10.210 10.761 534 1HB LYS 69 2HB LYS 69 0.086 -9.836 10.732 535 2HB LYS 69 1HB LYS 69 0.108 -10.999 9.423 536 1HG LYS 69 2HG LYS 69 0.149 -12.636 10.994 537 2HG LYS 69 1HG LYS 69 1.796 -12.155 11.355 538 1HD LYS 69 2HD LYS 69 0.122 -10.266 12.691 539 2HD LYS 69 1HD LYS 69 -0.601 -11.836 12.983 540 1HE LYS 69 2HE LYS 69 1.701 -12.687 13.684 541 2HE LYS 69 1HE LYS 69 2.296 -11.043 13.545 542 1HZ LYS 69 1HZ LYS 69 1.187 -10.423 15.377 543 2HZ LYS 69 2HZ LYS 69 -0.092 -11.404 15.120 544 3HZ LYS 69 3HZ LYS 69 1.286 -12.007 15.757 545 H ASN 70 H ASN 70 3.281 -12.425 10.123 546 HA ASN 70 HA ASN 70 4.246 -13.858 8.816 547 1HB ASN 70 2HB ASN 70 2.029 -12.847 7.169 548 2HB ASN 70 1HB ASN 70 3.376 -13.328 6.156 549 1HD2 ASN 70 1HD2 ASN 70 2.793 -15.209 5.339 550 2HD2 ASN 70 2HD2 ASN 70 2.314 -16.618 6.227 551 H GLY 71 H GLY 71 5.798 -14.032 6.780 552 1HA GLY 71 2HA GLY 71 6.895 -11.395 6.051 553 2HA GLY 71 1HA GLY 71 7.934 -12.624 6.744 Start of MODEL 16 1 H MET 1 H MET 1 -0.423 18.329 7.860 2 HA MET 1 HA MET 1 1.179 20.394 9.155 3 1HB MET 1 2HB MET 1 -1.776 19.812 9.261 4 2HB MET 1 1HB MET 1 -1.025 20.200 10.797 5 1HG MET 1 2HG MET 1 -0.102 22.313 9.812 6 2HG MET 1 1HG MET 1 -0.855 21.927 8.278 7 1HE MET 1 1HE MET 1 -2.647 24.489 8.560 8 2HE MET 1 2HE MET 1 -2.569 24.891 10.293 9 3HE MET 1 3HE MET 1 -1.091 24.413 9.423 10 H SER 2 H SER 2 -0.670 17.306 9.504 11 HA SER 2 HA SER 2 1.422 16.136 10.930 12 1HB SER 2 2HB SER 2 -0.703 17.474 12.513 13 2HB SER 2 1HB SER 2 -0.429 15.804 12.968 14 HG SER 2 HG SER 2 2.010 16.687 12.772 15 H THR 3 H THR 3 1.216 14.273 9.701 16 HA THR 3 HA THR 3 -1.177 12.696 10.125 17 HB THR 3 HB THR 3 -1.651 14.166 8.110 18 HG1 THR 3 1HG THR 3 -2.598 12.069 8.157 19 1HG2 THR 3 1HG2 THR 3 -0.349 14.080 6.169 20 2HG2 THR 3 2HG2 THR 3 0.943 13.882 7.379 21 3HG2 THR 3 3HG2 THR 3 0.279 12.457 6.544 22 H LYS 4 H LYS 4 -0.895 10.454 9.121 23 HA LYS 4 HA LYS 4 1.959 9.772 9.131 24 1HB LYS 4 2HB LYS 4 0.476 9.262 11.272 25 2HB LYS 4 1HB LYS 4 -0.050 7.891 10.317 26 1HG LYS 4 2HG LYS 4 1.951 6.816 10.548 27 2HG LYS 4 1HG LYS 4 2.871 8.261 10.181 28 1HD LYS 4 2HD LYS 4 2.226 9.062 12.582 29 2HD LYS 4 1HD LYS 4 1.735 7.405 12.871 30 1HE LYS 4 2HE LYS 4 4.249 7.082 11.699 31 2HE LYS 4 1HE LYS 4 4.461 8.545 12.639 32 1HZ LYS 4 1HZ LYS 4 4.004 5.868 13.540 33 2HZ LYS 4 2HZ LYS 4 4.779 7.099 14.282 34 3HZ LYS 4 3HZ LYS 4 3.150 6.999 14.351 35 H LEU 5 H LEU 5 1.397 10.169 6.729 36 HA LEU 5 HA LEU 5 -0.213 8.110 5.533 37 1HB LEU 5 2HB LEU 5 0.839 10.678 4.814 38 2HB LEU 5 1HB LEU 5 1.315 9.506 3.602 39 HG LEU 5 HG LEU 5 -0.908 8.995 3.030 40 1HD1 LEU 5 1HD1 LEU 5 -2.120 8.611 4.935 41 2HD1 LEU 5 2HD1 LEU 5 -1.580 10.113 5.722 42 3HD1 LEU 5 3HD1 LEU 5 -2.805 10.174 4.433 43 1HD2 LEU 5 1HD2 LEU 5 -1.588 10.955 2.087 44 2HD2 LEU 5 2HD2 LEU 5 -1.353 11.893 3.582 45 3HD2 LEU 5 3HD2 LEU 5 0.051 11.432 2.591 46 H TYR 6 H TYR 6 0.471 6.207 4.635 47 HA TYR 6 HA TYR 6 3.300 5.852 4.114 48 1HB TYR 6 2HB TYR 6 2.430 5.261 6.609 49 2HB TYR 6 1HB TYR 6 1.747 3.850 5.824 50 HD1 TYR 6 1HD TYR 6 4.622 5.182 7.410 51 HD2 TYR 6 2HD TYR 6 3.420 2.424 4.367 52 HE1 TYR 6 1HE TYR 6 6.857 3.985 7.601 53 HE2 TYR 6 2HE TYR 6 5.659 1.237 4.569 54 HH TYR 6 HH TYR 6 7.941 2.111 7.092 55 H GLY 7 H GLY 7 3.489 4.806 2.199 56 1HA GLY 7 2HA GLY 7 3.107 3.046 0.744 57 2HA GLY 7 1HA GLY 7 1.598 2.676 1.554 58 H ASP 8 H ASP 8 2.100 6.072 0.956 59 HA ASP 8 HA ASP 8 -0.160 6.234 -0.627 60 1HB ASP 8 2HB ASP 8 1.800 8.010 0.534 61 2HB ASP 8 1HB ASP 8 1.588 8.477 -1.141 62 H VAL 9 H VAL 9 0.050 4.859 -2.508 63 HA VAL 9 HA VAL 9 2.328 4.772 -4.120 64 HB VAL 9 HB VAL 9 -0.558 4.226 -4.841 65 1HG1 VAL 9 1HG1 VAL 9 0.384 2.672 -6.499 66 2HG1 VAL 9 2HG1 VAL 9 0.921 4.343 -6.794 67 3HG1 VAL 9 3HG1 VAL 9 2.027 3.172 -6.038 68 1HG2 VAL 9 1HG2 VAL 9 0.933 3.024 -2.819 69 2HG2 VAL 9 2HG2 VAL 9 -0.521 2.362 -3.602 70 3HG2 VAL 9 3HG2 VAL 9 1.095 1.908 -4.195 71 H ASN 10 H ASN 10 -0.851 6.443 -4.714 72 HA ASN 10 HA ASN 10 0.605 8.164 -6.546 73 1HB ASN 10 2HB ASN 10 -1.820 8.829 -7.232 74 2HB ASN 10 1HB ASN 10 -1.288 7.217 -7.666 75 1HD2 ASN 10 1HD2 ASN 10 -3.754 7.172 -7.748 76 2HD2 ASN 10 2HD2 ASN 10 -4.575 6.593 -6.336 77 H ASP 11 H ASP 11 0.659 8.375 -3.550 78 HA ASP 11 HA ASP 11 0.370 9.788 -1.924 79 1HB ASP 11 2HB ASP 11 0.343 11.712 -4.287 80 2HB ASP 11 1HB ASP 11 0.336 12.285 -2.630 81 H ASP 12 H ASP 12 -1.965 8.608 -2.042 82 HA ASP 12 HA ASP 12 -3.949 10.726 -2.344 83 1HB ASP 12 2HB ASP 12 -4.809 9.195 -3.829 84 2HB ASP 12 1HB ASP 12 -3.902 7.864 -3.138 85 H GLY 13 H GLY 13 -3.183 7.590 -0.643 86 1HA GLY 13 2HA GLY 13 -3.939 8.784 1.908 87 2HA GLY 13 1HA GLY 13 -4.908 7.430 1.360 88 H LYS 14 H LYS 14 -3.272 5.600 0.266 89 HA LYS 14 HA LYS 14 -0.776 5.292 1.499 90 1HB LYS 14 2HB LYS 14 -1.689 3.212 2.898 91 2HB LYS 14 1HB LYS 14 -1.522 4.815 3.586 92 1HG LYS 14 2HG LYS 14 -3.756 3.799 4.078 93 2HG LYS 14 1HG LYS 14 -3.892 5.304 3.191 94 1HD LYS 14 2HD LYS 14 -4.035 3.929 1.041 95 2HD LYS 14 1HD LYS 14 -4.105 2.486 2.034 96 1HE LYS 14 2HE LYS 14 -6.366 2.807 2.027 97 2HE LYS 14 1HE LYS 14 -6.058 4.048 3.224 98 1HZ LYS 14 1HZ LYS 14 -7.212 4.470 0.859 99 2HZ LYS 14 2HZ LYS 14 -6.500 5.634 1.756 100 3HZ LYS 14 3HZ LYS 14 -5.678 4.926 0.536 101 H VAL 15 H VAL 15 -0.475 2.545 1.503 102 HA VAL 15 HA VAL 15 -0.878 2.003 -1.313 103 HB VAL 15 HB VAL 15 1.309 1.727 -0.163 104 1HG1 VAL 15 1HG1 VAL 15 0.175 -0.773 1.101 105 2HG1 VAL 15 2HG1 VAL 15 1.728 0.036 1.419 106 3HG1 VAL 15 3HG1 VAL 15 0.207 0.784 1.962 107 1HG2 VAL 15 1HG2 VAL 15 -0.070 -0.328 -1.785 108 2HG2 VAL 15 2HG2 VAL 15 1.465 0.525 -2.072 109 3HG2 VAL 15 3HG2 VAL 15 1.416 -0.872 -0.971 110 H ASN 16 H ASN 16 -2.724 1.044 -1.979 111 HA ASN 16 HA ASN 16 -3.578 -1.300 -0.621 112 1HB ASN 16 2HB ASN 16 -5.996 -0.393 -0.420 113 2HB ASN 16 1HB ASN 16 -4.853 0.196 0.770 114 1HD2 ASN 16 1HD2 ASN 16 -7.004 1.654 0.478 115 2HD2 ASN 16 2HD2 ASN 16 -6.727 3.124 -0.395 116 H SER 17 H SER 17 -5.712 -2.129 -1.867 117 HA SER 17 HA SER 17 -5.131 -2.469 -4.460 118 1HB SER 17 2HB SER 17 -6.794 -3.885 -3.616 119 2HB SER 17 1HB SER 17 -7.700 -2.572 -2.889 120 HG SER 17 HG SER 17 -8.881 -3.208 -4.691 121 H THR 18 H THR 18 -6.821 0.274 -2.926 122 HA THR 18 HA THR 18 -8.051 1.424 -5.101 123 HB THR 18 HB THR 18 -6.702 2.528 -2.596 124 HG1 THR 18 1HG THR 18 -8.741 2.003 -1.905 125 1HG2 THR 18 1HG2 THR 18 -7.379 4.689 -3.088 126 2HG2 THR 18 2HG2 THR 18 -7.167 4.151 -4.770 127 3HG2 THR 18 3HG2 THR 18 -8.784 4.134 -4.029 128 H ASP 19 H ASP 19 -4.591 1.305 -4.279 129 HA ASP 19 HA ASP 19 -4.064 3.127 -6.456 130 1HB ASP 19 2HB ASP 19 -2.262 1.784 -4.390 131 2HB ASP 19 1HB ASP 19 -1.648 2.819 -5.665 132 H ALA 20 H ALA 20 -5.151 0.282 -6.747 133 HA ALA 20 HA ALA 20 -3.129 -1.474 -7.516 134 1HB ALA 20 1HB ALA 20 -5.316 -2.315 -7.078 135 2HB ALA 20 2HB ALA 20 -6.064 -1.189 -8.236 136 3HB ALA 20 3HB ALA 20 -5.061 -2.535 -8.826 137 H VAL 21 H VAL 21 -4.864 1.145 -9.253 138 HA VAL 21 HA VAL 21 -4.217 0.584 -11.830 139 HB VAL 21 HB VAL 21 -4.338 3.205 -10.338 140 1HG1 VAL 21 1HG1 VAL 21 -4.718 4.205 -12.646 141 2HG1 VAL 21 2HG1 VAL 21 -3.049 3.712 -12.269 142 3HG1 VAL 21 3HG1 VAL 21 -4.067 2.688 -13.311 143 1HG2 VAL 21 1HG2 VAL 21 -6.458 2.199 -10.271 144 2HG2 VAL 21 2HG2 VAL 21 -6.551 3.304 -11.663 145 3HG2 VAL 21 3HG2 VAL 21 -6.312 1.559 -11.926 146 H ALA 22 H ALA 22 -2.140 2.071 -9.284 147 HA ALA 22 HA ALA 22 0.051 2.348 -11.127 148 1HB ALA 22 1HB ALA 22 0.555 3.915 -9.601 149 2HB ALA 22 2HB ALA 22 -0.726 3.320 -8.517 150 3HB ALA 22 3HB ALA 22 0.908 2.620 -8.433 151 H LEU 23 H LEU 23 -0.558 0.444 -8.084 152 HA LEU 23 HA LEU 23 1.663 -1.077 -8.057 153 1HB LEU 23 2HB LEU 23 0.384 -1.497 -6.262 154 2HB LEU 23 1HB LEU 23 -1.121 -1.387 -7.155 155 HG LEU 23 HG LEU 23 -0.382 -3.701 -8.159 156 1HD1 LEU 23 1HD1 LEU 23 1.110 -3.771 -5.525 157 2HD1 LEU 23 2HD1 LEU 23 0.967 -5.071 -6.732 158 3HD1 LEU 23 3HD1 LEU 23 1.885 -3.597 -7.119 159 1HD2 LEU 23 1HD2 LEU 23 -1.263 -4.642 -5.746 160 2HD2 LEU 23 2HD2 LEU 23 -1.812 -2.950 -5.702 161 3HD2 LEU 23 3HD2 LEU 23 -2.301 -4.010 -7.046 162 H LYS 24 H LYS 24 -1.304 -1.659 -10.041 163 HA LYS 24 HA LYS 24 -0.640 -4.057 -11.140 164 1HB LYS 24 2HB LYS 24 -2.747 -2.620 -11.415 165 2HB LYS 24 1HB LYS 24 -1.903 -1.810 -12.720 166 1HG LYS 24 2HG LYS 24 -2.159 -3.580 -14.141 167 2HG LYS 24 1HG LYS 24 -1.685 -4.745 -12.921 168 1HD LYS 24 2HD LYS 24 -4.213 -3.796 -12.059 169 2HD LYS 24 1HD LYS 24 -4.376 -3.972 -13.795 170 1HE LYS 24 2HE LYS 24 -3.091 -6.311 -13.264 171 2HE LYS 24 1HE LYS 24 -3.868 -6.076 -11.711 172 1HZ LYS 24 1HZ LYS 24 -5.162 -7.279 -13.470 173 2HZ LYS 24 2HZ LYS 24 -5.951 -6.071 -12.706 174 3HZ LYS 24 3HZ LYS 24 -5.368 -5.840 -14.214 175 H ARG 25 H ARG 25 0.191 -0.796 -12.521 176 HA ARG 25 HA ARG 25 1.774 -1.847 -14.519 177 1HB ARG 25 2HB ARG 25 1.436 0.846 -13.213 178 2HB ARG 25 1HB ARG 25 2.868 0.626 -14.199 179 1HG ARG 25 2HG ARG 25 1.667 0.745 -16.125 180 2HG ARG 25 1HG ARG 25 0.529 -0.467 -15.569 181 1HD ARG 25 2HD ARG 25 -1.004 1.213 -15.453 182 2HD ARG 25 1HD ARG 25 -0.159 1.751 -14.015 183 HE ARG 25 HE ARG 25 0.791 3.520 -15.241 184 1HH1 ARG 25 2HH2 ARG 25 -0.675 1.201 -17.443 185 2HH1 ARG 25 1HH2 ARG 25 -0.509 2.222 -18.832 186 1HH2 ARG 25 2HH1 ARG 25 1.010 4.868 -17.073 187 2HH2 ARG 25 1HH1 ARG 25 0.456 4.323 -18.620 188 H TYR 26 H TYR 26 2.453 -0.894 -11.127 189 HA TYR 26 HA TYR 26 5.251 -0.930 -11.290 190 1HB TYR 26 2HB TYR 26 3.758 0.010 -9.451 191 2HB TYR 26 1HB TYR 26 3.240 -1.616 -9.054 192 HD1 TYR 26 1HD TYR 26 6.469 0.271 -9.452 193 HD2 TYR 26 2HD TYR 26 4.232 -2.606 -7.210 194 HE1 TYR 26 1HE TYR 26 8.388 0.056 -7.797 195 HE2 TYR 26 2HE TYR 26 6.158 -2.810 -5.563 196 HH TYR 26 HH TYR 26 9.225 -1.208 -6.170 197 H VAL 27 H VAL 27 2.799 -3.501 -10.840 198 HA VAL 27 HA VAL 27 4.825 -5.445 -10.181 199 HB VAL 27 HB VAL 27 1.880 -5.778 -10.784 200 1HG1 VAL 27 1HG1 VAL 27 2.937 -7.898 -10.954 201 2HG1 VAL 27 2HG1 VAL 27 3.956 -7.591 -9.527 202 3HG1 VAL 27 3HG1 VAL 27 2.205 -7.844 -9.332 203 1HG2 VAL 27 1HG2 VAL 27 1.378 -4.949 -8.773 204 2HG2 VAL 27 2HG2 VAL 27 2.586 -5.992 -7.984 205 3HG2 VAL 27 3HG2 VAL 27 3.067 -4.405 -8.632 206 H LEU 28 H LEU 28 2.596 -4.678 -12.932 207 HA LEU 28 HA LEU 28 3.398 -6.773 -14.564 208 1HB LEU 28 2HB LEU 28 1.762 -4.433 -14.714 209 2HB LEU 28 1HB LEU 28 2.759 -4.509 -16.153 210 HG LEU 28 HG LEU 28 1.615 -7.111 -15.563 211 1HD1 LEU 28 1HD1 LEU 28 -0.086 -5.307 -14.606 212 2HD1 LEU 28 2HD1 LEU 28 -0.532 -5.188 -16.325 213 3HD1 LEU 28 3HD1 LEU 28 -0.632 -6.754 -15.486 214 1HD2 LEU 28 1HD2 LEU 28 2.515 -6.643 -17.714 215 2HD2 LEU 28 2HD2 LEU 28 0.755 -6.814 -17.909 216 3HD2 LEU 28 3HD2 LEU 28 1.496 -5.195 -17.901 217 H ARG 29 H ARG 29 4.854 -3.579 -13.893 218 HA ARG 29 HA ARG 29 7.305 -4.525 -14.908 219 1HB ARG 29 2HB ARG 29 7.565 -2.609 -16.595 220 2HB ARG 29 1HB ARG 29 6.470 -3.888 -17.082 221 1HG ARG 29 2HG ARG 29 5.016 -2.162 -17.489 222 2HG ARG 29 1HG ARG 29 4.709 -2.255 -15.767 223 1HD ARG 29 2HD ARG 29 5.338 -0.062 -15.695 224 2HD ARG 29 1HD ARG 29 6.982 -0.651 -15.850 225 HE ARG 29 HE ARG 29 7.036 0.180 -18.031 226 1HH1 ARG 29 2HH2 ARG 29 3.679 -0.191 -17.043 227 2HH1 ARG 29 1HH2 ARG 29 3.042 0.552 -18.473 228 1HH2 ARG 29 2HH1 ARG 29 6.197 1.158 -19.918 229 2HH2 ARG 29 1HH1 ARG 29 4.485 1.324 -20.119 230 H SER 30 H SER 30 8.771 -2.180 -15.143 231 HA SER 30 HA SER 30 8.116 -0.787 -12.664 232 1HB SER 30 2HB SER 30 10.331 -2.387 -13.094 233 2HB SER 30 1HB SER 30 10.965 -0.806 -13.507 234 HG SER 30 HG SER 30 9.539 -1.376 -11.051 235 H GLY 31 H GLY 31 6.897 0.698 -14.166 236 1HA GLY 31 2HA GLY 31 8.749 2.548 -15.549 237 2HA GLY 31 1HA GLY 31 7.166 2.121 -16.167 238 H ILE 32 H ILE 32 5.490 2.202 -13.966 239 HA ILE 32 HA ILE 32 5.070 4.939 -13.660 240 HB ILE 32 HB ILE 32 3.390 4.238 -11.985 241 1HG1 ILE 32 2HG1 ILE 32 3.107 1.592 -12.023 242 2HG1 ILE 32 1HG1 ILE 32 4.846 1.636 -12.241 243 1HG2 ILE 32 1HG2 ILE 32 3.544 2.997 -14.715 244 2HG2 ILE 32 2HG2 ILE 32 2.162 2.648 -13.649 245 3HG2 ILE 32 3HG2 ILE 32 2.520 4.326 -14.122 246 1HD1 ILE 32 1HD1 ILE 32 4.758 1.671 -9.922 247 2HD1 ILE 32 2HD1 ILE 32 4.699 3.422 -10.233 248 3HD1 ILE 32 3HD1 ILE 32 3.199 2.528 -9.890 249 H SER 33 H SER 33 5.014 6.163 -11.559 250 HA SER 33 HA SER 33 7.325 5.367 -9.966 251 1HB SER 33 2HB SER 33 7.994 7.619 -9.780 252 2HB SER 33 1HB SER 33 7.460 7.501 -11.445 253 HG SER 33 HG SER 33 6.009 9.008 -11.034 254 H ILE 34 H ILE 34 6.933 5.008 -7.801 255 HA ILE 34 HA ILE 34 4.632 6.337 -6.602 256 HB ILE 34 HB ILE 34 3.829 4.277 -5.615 257 1HG1 ILE 34 2HG1 ILE 34 5.978 2.912 -7.262 258 2HG1 ILE 34 1HG1 ILE 34 5.914 3.017 -5.514 259 1HG2 ILE 34 1HG2 ILE 34 3.043 3.156 -7.771 260 2HG2 ILE 34 2HG2 ILE 34 2.672 4.885 -7.566 261 3HG2 ILE 34 3HG2 ILE 34 4.010 4.382 -8.626 262 1HD1 ILE 34 1HD1 ILE 34 4.068 1.479 -7.372 263 2HD1 ILE 34 2HD1 ILE 34 5.021 0.869 -5.998 264 3HD1 ILE 34 3HD1 ILE 34 3.580 1.873 -5.705 265 H ASN 35 H ASN 35 4.699 5.519 -4.070 266 HA ASN 35 HA ASN 35 7.277 6.441 -3.256 267 1HB ASN 35 2HB ASN 35 6.273 6.787 -1.116 268 2HB ASN 35 1HB ASN 35 4.960 7.093 -2.236 269 1HD2 ASN 35 1HD2 ASN 35 3.500 5.317 -2.736 270 2HD2 ASN 35 2HD2 ASN 35 3.108 4.151 -1.516 271 H THR 36 H THR 36 7.397 3.879 -4.529 272 HA THR 36 HA THR 36 7.076 1.603 -3.144 273 HB THR 36 HB THR 36 8.015 1.560 -5.361 274 HG1 THR 36 1HG THR 36 8.914 -0.088 -3.982 275 1HG2 THR 36 1HG2 THR 36 10.723 2.524 -4.722 276 2HG2 THR 36 2HG2 THR 36 9.673 2.963 -6.091 277 3HG2 THR 36 3HG2 THR 36 9.511 3.813 -4.535 278 H ASP 37 H ASP 37 9.299 4.228 -2.314 279 HA ASP 37 HA ASP 37 11.133 3.038 -0.814 280 1HB ASP 37 2HB ASP 37 9.702 5.616 -0.750 281 2HB ASP 37 1HB ASP 37 10.284 5.158 0.838 282 H ASN 38 H ASN 38 7.878 4.161 0.406 283 HA ASN 38 HA ASN 38 8.123 2.118 2.473 284 1HB ASN 38 2HB ASN 38 6.369 3.697 3.668 285 2HB ASN 38 1HB ASN 38 8.063 4.145 3.692 286 1HD2 ASN 38 1HD2 ASN 38 5.235 5.479 3.520 287 2HD2 ASN 38 2HD2 ASN 38 5.457 6.769 2.386 288 H ALA 39 H ALA 39 7.149 1.256 0.050 289 HA ALA 39 HA ALA 39 4.230 1.485 0.232 290 1HB ALA 39 1HB ALA 39 4.181 0.932 -2.094 291 2HB ALA 39 2HB ALA 39 5.480 2.134 -1.899 292 3HB ALA 39 3HB ALA 39 5.883 0.410 -2.078 293 H ASP 40 H ASP 40 6.951 -0.864 -0.263 294 HA ASP 40 HA ASP 40 5.193 -3.055 0.110 295 1HB ASP 40 2HB ASP 40 7.040 -3.565 -1.257 296 2HB ASP 40 1HB ASP 40 8.160 -2.657 -0.263 297 H LEU 41 H LEU 41 5.030 -4.385 2.022 298 HA LEU 41 HA LEU 41 6.637 -3.578 4.317 299 1HB LEU 41 2HB LEU 41 3.632 -3.816 4.446 300 2HB LEU 41 1HB LEU 41 4.721 -3.409 5.758 301 HG LEU 41 HG LEU 41 5.222 -1.501 3.741 302 1HD1 LEU 41 1HD1 LEU 41 2.267 -1.467 4.262 303 2HD1 LEU 41 2HD1 LEU 41 3.210 -0.657 2.988 304 3HD1 LEU 41 3HD1 LEU 41 2.926 -2.413 2.905 305 1HD2 LEU 41 1HD2 LEU 41 3.933 -1.502 6.450 306 2HD2 LEU 41 2HD2 LEU 41 5.483 -0.803 5.925 307 3HD2 LEU 41 3HD2 LEU 41 3.953 -0.017 5.470 308 H ASN 42 H ASN 42 6.143 -5.886 2.220 309 HA ASN 42 HA ASN 42 6.249 -7.924 4.275 310 1HB ASN 42 2HB ASN 42 4.645 -8.239 1.685 311 2HB ASN 42 1HB ASN 42 4.777 -9.423 2.970 312 1HD2 ASN 42 1HD2 ASN 42 3.833 -9.009 5.004 313 2HD2 ASN 42 2HD2 ASN 42 2.508 -7.910 5.193 314 H GLU 43 H GLU 43 7.968 -6.325 2.146 315 HA GLU 43 HA GLU 43 9.638 -6.685 0.806 316 1HB GLU 43 2HB GLU 43 9.675 -8.960 2.644 317 2HB GLU 43 1HB GLU 43 10.377 -9.401 1.100 318 1HG GLU 43 2HG GLU 43 11.926 -7.481 1.203 319 2HG GLU 43 1HG GLU 43 11.169 -6.908 2.676 320 H ASP 44 H ASP 44 6.952 -7.083 -0.236 321 HA ASP 44 HA ASP 44 7.495 -9.154 -2.215 322 1HB ASP 44 2HB ASP 44 4.791 -7.891 -1.598 323 2HB ASP 44 1HB ASP 44 5.093 -9.347 -2.526 324 H GLY 45 H GLY 45 6.606 -5.766 -1.516 325 1HA GLY 45 2HA GLY 45 7.577 -4.274 -3.311 326 2HA GLY 45 1HA GLY 45 6.538 -5.164 -4.407 327 H ARG 46 H ARG 46 4.206 -5.519 -2.818 328 HA ARG 46 HA ARG 46 3.456 -3.084 -1.647 329 1HB ARG 46 2HB ARG 46 2.909 -3.497 -4.547 330 2HB ARG 46 1HB ARG 46 1.493 -3.050 -3.619 331 1HG ARG 46 2HG ARG 46 3.150 -1.215 -2.583 332 2HG ARG 46 1HG ARG 46 4.040 -1.487 -4.067 333 1HD ARG 46 2HD ARG 46 2.348 0.387 -4.231 334 2HD ARG 46 1HD ARG 46 2.121 -0.867 -5.434 335 HE ARG 46 HE ARG 46 0.571 -1.507 -3.098 336 1HH1 ARG 46 2HH2 ARG 46 0.626 0.730 -5.814 337 2HH1 ARG 46 1HH2 ARG 46 -1.090 0.964 -5.821 338 1HH2 ARG 46 2HH1 ARG 46 -1.694 -1.199 -3.107 339 2HH2 ARG 46 1HH1 ARG 46 -2.419 -0.141 -4.270 340 H VAL 47 H VAL 47 1.250 -4.940 -3.774 341 HA VAL 47 HA VAL 47 0.430 -6.609 -1.536 342 HB VAL 47 HB VAL 47 -1.919 -6.002 -1.851 343 1HG1 VAL 47 1HG1 VAL 47 -1.850 -4.228 -0.403 344 2HG1 VAL 47 2HG1 VAL 47 -0.149 -4.742 -0.306 345 3HG1 VAL 47 3HG1 VAL 47 -0.605 -3.365 -1.338 346 1HG2 VAL 47 1HG2 VAL 47 -2.145 -5.225 -4.042 347 2HG2 VAL 47 2HG2 VAL 47 -2.313 -3.744 -3.070 348 3HG2 VAL 47 3HG2 VAL 47 -0.775 -4.098 -3.892 349 H ASN 48 H ASN 48 0.932 -8.551 -2.476 350 HA ASN 48 HA ASN 48 0.484 -8.907 -5.261 351 1HB ASN 48 2HB ASN 48 1.006 -11.238 -3.414 352 2HB ASN 48 1HB ASN 48 1.681 -10.920 -5.000 353 1HD2 ASN 48 1HD2 ASN 48 2.679 -8.444 -4.860 354 2HD2 ASN 48 2HD2 ASN 48 3.945 -8.315 -3.686 355 H SER 49 H SER 49 -1.039 -9.734 -2.128 356 HA SER 49 HA SER 49 -3.540 -10.018 -3.089 357 1HB SER 49 2HB SER 49 -2.043 -12.256 -3.934 358 2HB SER 49 1HB SER 49 -2.962 -12.845 -2.564 359 HG SER 49 HG SER 49 -3.877 -12.652 -4.992 360 H THR 50 H THR 50 -1.002 -11.116 -0.845 361 HA THR 50 HA THR 50 -2.937 -11.592 1.273 362 HB THR 50 HB THR 50 0.047 -11.992 0.842 363 HG1 THR 50 1HG THR 50 -1.322 -13.731 0.262 364 1HG2 THR 50 1HG2 THR 50 -0.553 -11.080 3.254 365 2HG2 THR 50 2HG2 THR 50 -1.362 -12.653 3.454 366 3HG2 THR 50 3HG2 THR 50 0.385 -12.587 3.120 367 H ASP 51 H ASP 51 0.051 -9.554 0.919 368 HA ASP 51 HA ASP 51 -0.098 -8.075 3.063 369 1HB ASP 51 2HB ASP 51 0.112 -6.579 0.439 370 2HB ASP 51 1HB ASP 51 1.058 -6.360 1.898 371 H LEU 52 H LEU 52 -2.217 -7.775 0.158 372 HA LEU 52 HA LEU 52 -3.479 -5.444 0.508 373 1HB LEU 52 2HB LEU 52 -3.904 -7.772 -0.920 374 2HB LEU 52 1HB LEU 52 -5.371 -7.617 0.026 375 HG LEU 52 HG LEU 52 -4.644 -5.074 -1.180 376 1HD1 LEU 52 1HD1 LEU 52 -5.360 -5.977 -3.535 377 2HD1 LEU 52 2HD1 LEU 52 -3.657 -6.041 -3.019 378 3HD1 LEU 52 3HD1 LEU 52 -4.668 -7.503 -2.934 379 1HD2 LEU 52 1HD2 LEU 52 -6.827 -5.043 -0.641 380 2HD2 LEU 52 2HD2 LEU 52 -7.037 -5.764 -2.255 381 3HD2 LEU 52 3HD2 LEU 52 -7.008 -6.805 -0.811 382 H GLY 53 H GLY 53 -4.588 -8.522 2.102 383 1HA GLY 53 2HA GLY 53 -6.588 -7.695 3.652 384 2HA GLY 53 1HA GLY 53 -5.366 -8.814 4.219 385 H ILE 54 H ILE 54 -3.396 -7.917 5.306 386 HA ILE 54 HA ILE 54 -3.914 -6.334 7.393 387 HB ILE 54 HB ILE 54 -1.740 -7.597 6.432 388 1HG1 ILE 54 2HG1 ILE 54 -2.323 -7.170 8.791 389 2HG1 ILE 54 1HG1 ILE 54 -0.619 -6.932 8.462 390 1HG2 ILE 54 1HG2 ILE 54 0.094 -5.920 6.264 391 2HG2 ILE 54 2HG2 ILE 54 -1.058 -5.871 4.907 392 3HG2 ILE 54 3HG2 ILE 54 -1.139 -4.638 6.188 393 1HD1 ILE 54 1HD1 ILE 54 -0.713 -4.659 8.837 394 2HD1 ILE 54 2HD1 ILE 54 -2.350 -4.510 8.154 395 3HD1 ILE 54 3HD1 ILE 54 -2.130 -5.121 9.811 396 H LEU 55 H LEU 55 -2.721 -5.175 4.171 397 HA LEU 55 HA LEU 55 -2.556 -2.506 4.778 398 1HB LEU 55 2HB LEU 55 -2.931 -4.135 2.335 399 2HB LEU 55 1HB LEU 55 -3.358 -2.441 2.201 400 HG LEU 55 HG LEU 55 -1.150 -2.477 1.507 401 1HD1 LEU 55 1HD1 LEU 55 -1.648 -0.871 3.438 402 2HD1 LEU 55 2HD1 LEU 55 -0.680 -1.975 4.443 403 3HD1 LEU 55 3HD1 LEU 55 0.059 -1.176 3.035 404 1HD2 LEU 55 1HD2 LEU 55 0.648 -3.765 2.491 405 2HD2 LEU 55 2HD2 LEU 55 -0.424 -4.326 3.795 406 3HD2 LEU 55 3HD2 LEU 55 -0.725 -4.834 2.115 407 H LYS 56 H LYS 56 -5.401 -4.201 3.270 408 HA LYS 56 HA LYS 56 -7.069 -1.946 3.647 409 1HB LYS 56 2HB LYS 56 -8.730 -3.220 2.621 410 2HB LYS 56 1HB LYS 56 -7.249 -3.815 1.900 411 1HG LYS 56 2HG LYS 56 -7.696 -5.908 2.640 412 2HG LYS 56 1HG LYS 56 -7.710 -5.343 4.299 413 1HD LYS 56 2HD LYS 56 -10.060 -4.927 4.272 414 2HD LYS 56 1HD LYS 56 -10.132 -4.904 2.521 415 1HE LYS 56 2HE LYS 56 -9.116 -7.465 3.108 416 2HE LYS 56 1HE LYS 56 -10.305 -7.196 4.366 417 1HZ LYS 56 1HZ LYS 56 -11.953 -7.254 2.891 418 2HZ LYS 56 2HZ LYS 56 -11.151 -6.411 1.746 419 3HZ LYS 56 3HZ LYS 56 -10.888 -8.014 1.914 420 H ARG 57 H ARG 57 -5.652 -3.960 5.886 421 HA ARG 57 HA ARG 57 -7.995 -4.147 7.546 422 1HB ARG 57 2HB ARG 57 -5.846 -5.827 7.219 423 2HB ARG 57 1HB ARG 57 -5.301 -4.921 8.617 424 1HG ARG 57 2HG ARG 57 -8.103 -6.098 8.529 425 2HG ARG 57 1HG ARG 57 -6.734 -7.086 9.000 426 1HD ARG 57 2HD ARG 57 -6.158 -5.345 10.764 427 2HD ARG 57 1HD ARG 57 -7.630 -4.492 10.345 428 HE ARG 57 HE ARG 57 -8.561 -7.033 10.827 429 1HH1 ARG 57 2HH2 ARG 57 -6.485 -4.869 12.669 430 2HH1 ARG 57 1HH2 ARG 57 -6.975 -5.500 14.206 431 1HH2 ARG 57 2HH1 ARG 57 -9.210 -7.864 12.855 432 2HH2 ARG 57 1HH1 ARG 57 -8.536 -7.215 14.312 433 H TYR 58 H TYR 58 -4.615 -2.802 7.678 434 HA TYR 58 HA TYR 58 -5.117 -1.356 10.076 435 1HB TYR 58 2HB TYR 58 -2.802 -1.118 9.852 436 2HB TYR 58 1HB TYR 58 -2.962 -2.231 8.507 437 HD1 TYR 58 1HD TYR 58 -1.876 -1.596 6.567 438 HD2 TYR 58 2HD TYR 58 -3.500 1.446 9.099 439 HE1 TYR 58 1HE TYR 58 -0.998 0.194 4.990 440 HE2 TYR 58 2HE TYR 58 -2.617 3.226 7.513 441 HH TYR 58 HH TYR 58 -0.386 2.489 5.040 442 H ILE 59 H ILE 59 -5.084 -0.576 6.556 443 HA ILE 59 HA ILE 59 -5.325 2.198 6.896 444 HB ILE 59 HB ILE 59 -5.717 2.281 4.589 445 1HG1 ILE 59 2HG1 ILE 59 -6.740 -0.552 4.841 446 2HG1 ILE 59 1HG1 ILE 59 -7.612 0.873 4.310 447 1HG2 ILE 59 1HG2 ILE 59 -3.750 0.390 5.631 448 2HG2 ILE 59 2HG2 ILE 59 -4.174 0.082 3.930 449 3HG2 ILE 59 3HG2 ILE 59 -3.575 1.685 4.422 450 1HD1 ILE 59 1HD1 ILE 59 -5.651 0.951 2.468 451 2HD1 ILE 59 2HD1 ILE 59 -5.600 -0.792 2.824 452 3HD1 ILE 59 3HD1 ILE 59 -7.107 -0.045 2.241 453 H LEU 60 H LEU 60 -7.590 -0.482 7.179 454 HA LEU 60 HA LEU 60 -9.985 0.564 6.592 455 1HB LEU 60 2HB LEU 60 -9.079 -1.619 7.928 456 2HB LEU 60 1HB LEU 60 -9.857 -0.747 9.234 457 HG LEU 60 HG LEU 60 -11.941 -0.634 7.818 458 1HD1 LEU 60 1HD1 LEU 60 -12.074 -1.452 5.743 459 2HD1 LEU 60 2HD1 LEU 60 -10.295 -1.393 5.755 460 3HD1 LEU 60 3HD1 LEU 60 -11.138 -2.910 6.151 461 1HD2 LEU 60 1HD2 LEU 60 -10.817 -3.292 8.715 462 2HD2 LEU 60 2HD2 LEU 60 -11.912 -2.196 9.591 463 3HD2 LEU 60 3HD2 LEU 60 -12.497 -3.083 8.163 464 H LYS 61 H LYS 61 -8.266 1.069 9.755 465 HA LYS 61 HA LYS 61 -8.921 3.770 9.883 466 1HB LYS 61 2HB LYS 61 -11.199 2.325 10.304 467 2HB LYS 61 1HB LYS 61 -10.604 2.483 11.945 468 1HG LYS 61 2HG LYS 61 -11.346 4.680 9.989 469 2HG LYS 61 1HG LYS 61 -11.933 4.431 11.621 470 1HD LYS 61 2HD LYS 61 -9.467 4.843 12.377 471 2HD LYS 61 1HD LYS 61 -9.202 5.457 10.758 472 1HE LYS 61 2HE LYS 61 -11.343 6.937 11.237 473 2HE LYS 61 1HE LYS 61 -11.023 6.563 12.919 474 1HZ LYS 61 1HZ LYS 61 -8.673 7.312 12.366 475 2HZ LYS 61 2HZ LYS 61 -9.322 8.007 11.038 476 3HZ LYS 61 3HZ LYS 61 -9.820 8.464 12.524 477 H GLU 62 H GLU 62 -6.675 1.991 10.213 478 HA GLU 62 HA GLU 62 -6.157 2.517 13.034 479 1HB GLU 62 2HB GLU 62 -5.476 0.073 11.373 480 2HB GLU 62 1HB GLU 62 -4.522 0.481 12.786 481 1HG GLU 62 2HG GLU 62 -7.362 0.673 13.427 482 2HG GLU 62 1HG GLU 62 -7.021 -0.893 12.718 483 H ILE 63 H ILE 63 -5.500 3.368 9.876 484 HA ILE 63 HA ILE 63 -2.851 3.407 9.464 485 HB ILE 63 HB ILE 63 -4.231 4.299 7.825 486 1HG1 ILE 63 2HG1 ILE 63 -3.400 6.955 8.112 487 2HG1 ILE 63 1HG1 ILE 63 -2.192 6.030 8.980 488 1HG2 ILE 63 1HG2 ILE 63 -5.412 5.891 10.049 489 2HG2 ILE 63 2HG2 ILE 63 -5.433 6.600 8.417 490 3HG2 ILE 63 3HG2 ILE 63 -6.197 5.021 8.711 491 1HD1 ILE 63 1HD1 ILE 63 -2.073 6.413 6.308 492 2HD1 ILE 63 2HD1 ILE 63 -1.448 4.937 7.081 493 3HD1 ILE 63 3HD1 ILE 63 -3.060 4.932 6.326 494 H ASP 64 H ASP 64 -1.156 3.837 10.761 495 HA ASP 64 HA ASP 64 -0.634 6.261 11.806 496 1HB ASP 64 2HB ASP 64 -2.651 5.031 13.372 497 2HB ASP 64 1HB ASP 64 -1.178 4.799 14.294 498 H THR 65 H THR 65 -0.592 2.703 12.249 499 HA THR 65 HA THR 65 2.311 2.836 12.611 500 HB THR 65 HB THR 65 1.791 2.475 14.862 501 HG1 THR 65 1HG THR 65 2.685 0.456 14.674 502 1HG2 THR 65 1HG2 THR 65 -0.222 0.750 15.330 503 2HG2 THR 65 2HG2 THR 65 -0.547 2.484 15.100 504 3HG2 THR 65 3HG2 THR 65 -0.786 1.347 13.751 505 H LEU 66 H LEU 66 -0.621 0.865 11.897 506 HA LEU 66 HA LEU 66 -0.952 -0.722 10.396 507 1HB LEU 66 2HB LEU 66 0.091 0.759 8.803 508 2HB LEU 66 1HB LEU 66 1.689 0.216 9.275 509 HG LEU 66 HG LEU 66 -0.389 -1.612 8.048 510 1HD1 LEU 66 1HD1 LEU 66 0.215 -1.056 5.948 511 2HD1 LEU 66 2HD1 LEU 66 0.637 0.496 6.709 512 3HD1 LEU 66 3HD1 LEU 66 1.902 -0.717 6.401 513 1HD2 LEU 66 1HD2 LEU 66 1.126 -3.015 9.068 514 2HD2 LEU 66 2HD2 LEU 66 1.845 -2.836 7.449 515 3HD2 LEU 66 3HD2 LEU 66 2.494 -1.903 8.819 516 HA PRO 67 HA PRO 67 1.343 -3.648 12.832 517 1HB PRO 67 2HB PRO 67 -0.768 -5.280 13.420 518 2HB PRO 67 1HB PRO 67 -0.285 -3.936 14.435 519 1HG PRO 67 2HG PRO 67 -2.591 -4.136 12.596 520 2HG PRO 67 1HG PRO 67 -2.329 -3.005 13.908 521 1HD PRO 67 2HD PRO 67 -2.041 -2.476 11.105 522 2HD PRO 67 1HD PRO 67 -1.667 -1.381 12.422 523 H TYR 68 H TYR 68 2.204 -3.784 10.493 524 HA TYR 68 HA TYR 68 1.209 -5.505 8.664 525 1HB TYR 68 2HB TYR 68 3.792 -5.947 8.313 526 2HB TYR 68 1HB TYR 68 3.253 -4.282 8.236 527 HD1 TYR 68 1HD TYR 68 4.070 -2.652 9.763 528 HD2 TYR 68 2HD TYR 68 4.840 -6.801 10.468 529 HE1 TYR 68 1HE TYR 68 5.715 -2.042 11.603 530 HE2 TYR 68 2HE TYR 68 6.482 -6.177 12.305 531 HH TYR 68 HH TYR 68 6.553 -3.325 13.764 532 H LYS 69 H LYS 69 1.290 -7.737 8.208 533 HA LYS 69 HA LYS 69 2.399 -9.438 10.303 534 1HB LYS 69 2HB LYS 69 -0.481 -9.176 9.582 535 2HB LYS 69 1HB LYS 69 0.129 -10.800 9.826 536 1HG LYS 69 2HG LYS 69 1.267 -9.503 11.979 537 2HG LYS 69 1HG LYS 69 -0.216 -8.588 11.799 538 1HD LYS 69 2HD LYS 69 -1.027 -11.278 11.500 539 2HD LYS 69 1HD LYS 69 0.167 -11.332 12.782 540 1HE LYS 69 2HE LYS 69 -1.159 -10.160 14.252 541 2HE LYS 69 1HE LYS 69 -1.745 -9.065 13.016 542 1HZ LYS 69 1HZ LYS 69 -3.494 -10.478 13.773 543 2HZ LYS 69 2HZ LYS 69 -3.164 -10.855 12.218 544 3HZ LYS 69 3HZ LYS 69 -2.650 -11.831 13.422 545 H ASN 70 H ASN 70 3.605 -11.049 9.437 546 HA ASN 70 HA ASN 70 3.243 -11.472 6.581 547 1HB ASN 70 2HB ASN 70 5.602 -12.354 6.647 548 2HB ASN 70 1HB ASN 70 5.502 -10.691 7.191 549 1HD2 ASN 70 1HD2 ASN 70 7.370 -12.972 7.741 550 2HD2 ASN 70 2HD2 ASN 70 7.495 -13.080 9.465 551 H GLY 71 H GLY 71 3.796 -13.844 5.884 552 1HA GLY 71 2HA GLY 71 4.097 -16.116 6.819 553 2HA GLY 71 1HA GLY 71 2.809 -15.728 7.944 Start of MODEL 17 1 H MET 1 H MET 1 -3.113 21.056 5.495 2 HA MET 1 HA MET 1 -1.038 21.990 6.980 3 1HB MET 1 2HB MET 1 -3.686 22.012 7.293 4 2HB MET 1 1HB MET 1 -3.419 20.570 8.252 5 1HG MET 1 2HG MET 1 -1.692 21.923 9.603 6 2HG MET 1 1HG MET 1 -2.259 23.348 8.756 7 1HE MET 1 1HE MET 1 -5.222 24.461 10.528 8 2HE MET 1 2HE MET 1 -3.488 24.758 10.796 9 3HE MET 1 3HE MET 1 -4.116 24.593 9.139 10 H SER 2 H SER 2 -2.511 18.676 7.020 11 HA SER 2 HA SER 2 -0.050 17.508 7.615 12 1HB SER 2 2HB SER 2 -1.474 18.480 9.903 13 2HB SER 2 1HB SER 2 -1.626 16.734 9.922 14 HG SER 2 HG SER 2 0.760 16.655 9.625 15 H THR 3 H THR 3 -0.361 15.052 8.013 16 HA THR 3 HA THR 3 -2.929 13.922 7.628 17 HB THR 3 HB THR 3 -2.627 14.831 5.338 18 HG1 THR 3 1HG THR 3 -1.929 11.988 5.530 19 1HG2 THR 3 1HG2 THR 3 -0.418 14.986 4.655 20 2HG2 THR 3 2HG2 THR 3 0.096 13.641 5.701 21 3HG2 THR 3 3HG2 THR 3 -0.679 13.304 4.135 22 H LYS 4 H LYS 4 -2.818 11.526 7.416 23 HA LYS 4 HA LYS 4 -0.238 10.560 8.435 24 1HB LYS 4 2HB LYS 4 -2.976 10.293 9.552 25 2HB LYS 4 1HB LYS 4 -2.005 8.835 9.557 26 1HG LYS 4 2HG LYS 4 -0.149 10.078 10.694 27 2HG LYS 4 1HG LYS 4 -1.128 11.531 10.696 28 1HD LYS 4 2HD LYS 4 -2.915 10.140 11.970 29 2HD LYS 4 1HD LYS 4 -1.664 8.932 12.191 30 1HE LYS 4 2HE LYS 4 -1.239 10.143 14.105 31 2HE LYS 4 1HE LYS 4 -0.265 11.108 13.015 32 1HZ LYS 4 1HZ LYS 4 -2.539 12.294 12.655 33 2HZ LYS 4 2HZ LYS 4 -2.863 11.704 14.143 34 3HZ LYS 4 3HZ LYS 4 -1.580 12.687 13.916 35 H LEU 5 H LEU 5 0.642 8.864 7.341 36 HA LEU 5 HA LEU 5 -0.890 6.908 6.053 37 1HB LEU 5 2HB LEU 5 -0.487 7.431 3.731 38 2HB LEU 5 1HB LEU 5 -1.468 8.665 4.498 39 HG LEU 5 HG LEU 5 1.501 9.068 4.260 40 1HD1 LEU 5 1HD1 LEU 5 -0.190 10.136 2.065 41 2HD1 LEU 5 2HD1 LEU 5 1.503 9.586 2.056 42 3HD1 LEU 5 3HD1 LEU 5 0.181 8.396 2.020 43 1HD2 LEU 5 1HD2 LEU 5 0.953 11.394 4.317 44 2HD2 LEU 5 2HD2 LEU 5 -0.784 11.051 4.130 45 3HD2 LEU 5 3HD2 LEU 5 0.059 10.589 5.628 46 H TYR 6 H TYR 6 0.466 5.219 5.182 47 HA TYR 6 HA TYR 6 3.328 5.650 5.326 48 1HB TYR 6 2HB TYR 6 2.733 5.029 7.644 49 2HB TYR 6 1HB TYR 6 1.605 3.810 7.083 50 HD1 TYR 6 1HD TYR 6 5.233 4.556 6.421 51 HD2 TYR 6 2HD TYR 6 2.302 1.662 7.576 52 HE1 TYR 6 1HE TYR 6 7.047 2.785 6.609 53 HE2 TYR 6 2HE TYR 6 4.126 -0.100 7.761 54 HH TYR 6 HH TYR 6 6.227 -0.538 7.579 55 H GLY 7 H GLY 7 3.542 5.125 3.140 56 1HA GLY 7 2HA GLY 7 4.176 3.349 1.730 57 2HA GLY 7 1HA GLY 7 3.006 2.302 2.509 58 H ASP 8 H ASP 8 2.884 5.599 0.962 59 HA ASP 8 HA ASP 8 0.369 4.858 -0.205 60 1HB ASP 8 2HB ASP 8 1.387 7.228 0.763 61 2HB ASP 8 1HB ASP 8 1.683 7.437 -0.951 62 H VAL 9 H VAL 9 0.014 4.953 -2.576 63 HA VAL 9 HA VAL 9 2.444 4.298 -4.045 64 HB VAL 9 HB VAL 9 -0.506 3.919 -4.551 65 1HG1 VAL 9 1HG1 VAL 9 1.698 4.042 -6.482 66 2HG1 VAL 9 2HG1 VAL 9 0.802 2.504 -6.537 67 3HG1 VAL 9 3HG1 VAL 9 -0.063 4.045 -6.747 68 1HG2 VAL 9 1HG2 VAL 9 1.342 2.387 -3.155 69 2HG2 VAL 9 2HG2 VAL 9 -0.217 1.825 -3.805 70 3HG2 VAL 9 3HG2 VAL 9 1.274 1.605 -4.752 71 H ASN 10 H ASN 10 -0.541 6.345 -4.412 72 HA ASN 10 HA ASN 10 1.054 8.017 -6.181 73 1HB ASN 10 2HB ASN 10 -1.403 8.963 -6.653 74 2HB ASN 10 1HB ASN 10 -0.865 7.485 -7.426 75 1HD2 ASN 10 1HD2 ASN 10 -3.021 6.835 -7.637 76 2HD2 ASN 10 2HD2 ASN 10 -3.925 6.168 -6.317 77 H ASP 11 H ASP 11 1.055 7.979 -3.148 78 HA ASP 11 HA ASP 11 0.906 9.301 -1.430 79 1HB ASP 11 2HB ASP 11 2.231 10.703 -3.252 80 2HB ASP 11 1HB ASP 11 0.797 11.710 -3.271 81 H ASP 12 H ASP 12 -1.625 8.360 -2.311 82 HA ASP 12 HA ASP 12 -3.340 10.691 -2.266 83 1HB ASP 12 2HB ASP 12 -4.030 9.192 -3.965 84 2HB ASP 12 1HB ASP 12 -3.682 7.775 -2.995 85 H GLY 13 H GLY 13 -2.886 7.430 -0.703 86 1HA GLY 13 2HA GLY 13 -3.622 8.528 1.881 87 2HA GLY 13 1HA GLY 13 -4.748 7.358 1.219 88 H LYS 14 H LYS 14 -3.135 5.507 -0.087 89 HA LYS 14 HA LYS 14 -0.842 4.765 1.328 90 1HB LYS 14 2HB LYS 14 -1.682 2.862 2.621 91 2HB LYS 14 1HB LYS 14 -2.331 4.380 3.210 92 1HG LYS 14 2HG LYS 14 -3.920 2.900 1.118 93 2HG LYS 14 1HG LYS 14 -3.905 2.240 2.741 94 1HD LYS 14 2HD LYS 14 -5.289 3.869 3.522 95 2HD LYS 14 1HD LYS 14 -4.315 5.142 2.812 96 1HE LYS 14 2HE LYS 14 -5.387 4.707 0.583 97 2HE LYS 14 1HE LYS 14 -6.372 3.453 1.308 98 1HZ LYS 14 1HZ LYS 14 -6.667 5.691 2.874 99 2HZ LYS 14 2HZ LYS 14 -6.788 6.211 1.332 100 3HZ LYS 14 3HZ LYS 14 -7.774 5.029 1.874 101 H VAL 15 H VAL 15 -0.540 2.164 0.884 102 HA VAL 15 HA VAL 15 -1.081 1.958 -1.976 103 HB VAL 15 HB VAL 15 1.229 1.834 -1.231 104 1HG1 VAL 15 1HG1 VAL 15 1.893 0.748 0.602 105 2HG1 VAL 15 2HG1 VAL 15 0.185 0.363 0.929 106 3HG1 VAL 15 3HG1 VAL 15 1.197 -0.781 0.015 107 1HG2 VAL 15 1HG2 VAL 15 1.674 0.382 -2.873 108 2HG2 VAL 15 2HG2 VAL 15 1.004 -0.980 -1.945 109 3HG2 VAL 15 3HG2 VAL 15 -0.071 0.038 -2.932 110 H ASN 16 H ASN 16 -3.217 1.232 -2.099 111 HA ASN 16 HA ASN 16 -3.539 -1.477 -1.130 112 1HB ASN 16 2HB ASN 16 -5.851 -0.970 -0.338 113 2HB ASN 16 1HB ASN 16 -4.670 -0.026 0.548 114 1HD2 ASN 16 1HD2 ASN 16 -4.071 2.103 -0.644 115 2HD2 ASN 16 2HD2 ASN 16 -5.405 3.080 -1.161 116 H SER 17 H SER 17 -6.195 -1.891 -2.018 117 HA SER 17 HA SER 17 -5.896 -2.284 -4.680 118 1HB SER 17 2HB SER 17 -7.626 -3.453 -3.513 119 2HB SER 17 1HB SER 17 -8.367 -1.970 -2.945 120 HG SER 17 HG SER 17 -9.479 -1.794 -4.773 121 H THR 18 H THR 18 -7.176 0.575 -2.928 122 HA THR 18 HA THR 18 -8.375 1.942 -4.987 123 HB THR 18 HB THR 18 -6.699 2.927 -2.619 124 HG1 THR 18 1HG THR 18 -9.541 2.471 -3.201 125 1HG2 THR 18 1HG2 THR 18 -8.037 4.989 -2.777 126 2HG2 THR 18 2HG2 THR 18 -7.185 4.750 -4.322 127 3HG2 THR 18 3HG2 THR 18 -8.914 4.347 -4.187 128 H ASP 19 H ASP 19 -4.869 1.744 -4.178 129 HA ASP 19 HA ASP 19 -4.346 3.377 -6.501 130 1HB ASP 19 2HB ASP 19 -2.609 2.258 -4.262 131 2HB ASP 19 1HB ASP 19 -1.905 3.036 -5.666 132 H ALA 20 H ALA 20 -5.427 0.517 -6.564 133 HA ALA 20 HA ALA 20 -3.408 -1.298 -7.180 134 1HB ALA 20 1HB ALA 20 -5.656 -2.020 -6.675 135 2HB ALA 20 2HB ALA 20 -6.320 -1.082 -8.034 136 3HB ALA 20 3HB ALA 20 -5.297 -2.505 -8.349 137 H VAL 21 H VAL 21 -5.181 1.122 -9.170 138 HA VAL 21 HA VAL 21 -4.536 0.398 -11.674 139 HB VAL 21 HB VAL 21 -4.686 3.058 -10.295 140 1HG1 VAL 21 1HG1 VAL 21 -3.039 3.382 -12.074 141 2HG1 VAL 21 2HG1 VAL 21 -4.149 2.646 -13.256 142 3HG1 VAL 21 3HG1 VAL 21 -4.572 4.191 -12.480 143 1HG2 VAL 21 1HG2 VAL 21 -6.407 1.842 -12.477 144 2HG2 VAL 21 2HG2 VAL 21 -6.729 1.666 -10.736 145 3HG2 VAL 21 3HG2 VAL 21 -6.760 3.278 -11.488 146 H ALA 22 H ALA 22 -2.412 2.490 -9.585 147 HA ALA 22 HA ALA 22 -0.246 2.416 -11.344 148 1HB ALA 22 1HB ALA 22 1.022 3.193 -9.319 149 2HB ALA 22 2HB ALA 22 -0.471 4.113 -9.622 150 3HB ALA 22 3HB ALA 22 -0.431 2.877 -8.341 151 H LEU 23 H LEU 23 -1.138 0.371 -8.498 152 HA LEU 23 HA LEU 23 1.146 -1.129 -8.332 153 1HB LEU 23 2HB LEU 23 -1.441 -1.139 -7.256 154 2HB LEU 23 1HB LEU 23 -1.227 -2.738 -7.940 155 HG LEU 23 HG LEU 23 -0.478 -3.055 -5.792 156 1HD1 LEU 23 1HD1 LEU 23 1.578 -3.850 -6.143 157 2HD1 LEU 23 2HD1 LEU 23 1.430 -3.157 -7.777 158 3HD1 LEU 23 3HD1 LEU 23 2.245 -2.236 -6.489 159 1HD2 LEU 23 1HD2 LEU 23 -0.486 -0.370 -5.546 160 2HD2 LEU 23 2HD2 LEU 23 0.199 -1.474 -4.330 161 3HD2 LEU 23 3HD2 LEU 23 1.267 -0.675 -5.509 162 H LYS 24 H LYS 24 -1.848 -1.983 -10.217 163 HA LYS 24 HA LYS 24 -1.016 -4.226 -11.421 164 1HB LYS 24 2HB LYS 24 -3.227 -3.010 -11.652 165 2HB LYS 24 1HB LYS 24 -2.480 -2.016 -12.887 166 1HG LYS 24 2HG LYS 24 -2.123 -3.881 -14.346 167 2HG LYS 24 1HG LYS 24 -2.353 -5.047 -13.059 168 1HD LYS 24 2HD LYS 24 -4.766 -4.326 -12.879 169 2HD LYS 24 1HD LYS 24 -4.518 -3.236 -14.228 170 1HE LYS 24 2HE LYS 24 -3.928 -5.144 -15.703 171 2HE LYS 24 1HE LYS 24 -4.065 -6.257 -14.356 172 1HZ LYS 24 1HZ LYS 24 -6.140 -6.425 -15.116 173 2HZ LYS 24 2HZ LYS 24 -6.417 -5.063 -14.258 174 3HZ LYS 24 3HZ LYS 24 -6.141 -4.974 -15.864 175 H ARG 25 H ARG 25 -0.116 -0.858 -12.353 176 HA ARG 25 HA ARG 25 1.321 -1.657 -14.599 177 1HB ARG 25 2HB ARG 25 1.041 0.828 -12.944 178 2HB ARG 25 1HB ARG 25 2.506 0.724 -13.898 179 1HG ARG 25 2HG ARG 25 1.292 1.442 -15.677 180 2HG ARG 25 1HG ARG 25 0.506 -0.125 -15.683 181 1HD ARG 25 2HD ARG 25 -1.202 0.764 -14.042 182 2HD ARG 25 1HD ARG 25 -0.442 2.339 -14.141 183 HE ARG 25 HE ARG 25 -1.393 2.657 -16.267 184 1HH1 ARG 25 2HH2 ARG 25 -1.680 -0.724 -15.337 185 2HH1 ARG 25 1HH2 ARG 25 -2.726 -1.130 -16.657 186 1HH2 ARG 25 2HH1 ARG 25 -2.773 2.123 -18.008 187 2HH2 ARG 25 1HH1 ARG 25 -3.352 0.500 -18.187 188 H TYR 26 H TYR 26 2.266 -0.870 -11.187 189 HA TYR 26 HA TYR 26 5.014 -1.146 -11.508 190 1HB TYR 26 2HB TYR 26 3.395 -0.324 -9.555 191 2HB TYR 26 1HB TYR 26 3.332 -2.012 -9.091 192 HD1 TYR 26 1HD TYR 26 4.734 0.892 -8.111 193 HD2 TYR 26 2HD TYR 26 5.992 -3.030 -9.269 194 HE1 TYR 26 1HE TYR 26 6.876 1.173 -6.769 195 HE2 TYR 26 2HE TYR 26 8.129 -2.735 -7.923 196 HH TYR 26 HH TYR 26 9.129 -1.509 -6.387 197 H VAL 27 H VAL 27 2.472 -3.573 -10.643 198 HA VAL 27 HA VAL 27 4.250 -5.673 -10.162 199 HB VAL 27 HB VAL 27 1.426 -5.854 -11.215 200 1HG1 VAL 27 1HG1 VAL 27 2.222 -8.029 -11.149 201 2HG1 VAL 27 2HG1 VAL 27 3.281 -7.716 -9.753 202 3HG1 VAL 27 3HG1 VAL 27 1.521 -7.855 -9.522 203 1HG2 VAL 27 1HG2 VAL 27 2.400 -4.651 -8.761 204 2HG2 VAL 27 2HG2 VAL 27 0.745 -4.725 -9.413 205 3HG2 VAL 27 3HG2 VAL 27 1.369 -6.060 -8.415 206 H LEU 28 H LEU 28 2.291 -4.884 -13.123 207 HA LEU 28 HA LEU 28 3.268 -6.879 -14.724 208 1HB LEU 28 2HB LEU 28 1.547 -4.773 -14.979 209 2HB LEU 28 1HB LEU 28 2.848 -4.285 -16.046 210 HG LEU 28 HG LEU 28 2.531 -6.842 -16.874 211 1HD1 LEU 28 1HD1 LEU 28 0.019 -7.172 -17.085 212 2HD1 LEU 28 2HD1 LEU 28 0.735 -7.483 -15.486 213 3HD1 LEU 28 3HD1 LEU 28 -0.149 -5.967 -15.786 214 1HD2 LEU 28 1HD2 LEU 28 0.661 -5.507 -18.418 215 2HD2 LEU 28 2HD2 LEU 28 1.685 -4.199 -17.779 216 3HD2 LEU 28 3HD2 LEU 28 2.421 -5.545 -18.682 217 H ARG 29 H ARG 29 4.693 -3.667 -13.947 218 HA ARG 29 HA ARG 29 7.244 -4.709 -14.568 219 1HB ARG 29 2HB ARG 29 7.845 -3.245 -16.396 220 2HB ARG 29 1HB ARG 29 6.324 -3.989 -16.848 221 1HG ARG 29 2HG ARG 29 6.377 -1.311 -15.409 222 2HG ARG 29 1HG ARG 29 6.589 -1.397 -17.146 223 1HD ARG 29 2HD ARG 29 4.259 -2.885 -15.927 224 2HD ARG 29 1HD ARG 29 4.150 -1.140 -16.044 225 HE ARG 29 HE ARG 29 5.020 -2.452 -18.529 226 1HH1 ARG 29 2HH2 ARG 29 2.273 -1.316 -16.646 227 2HH1 ARG 29 1HH2 ARG 29 1.219 -1.200 -18.015 228 1HH2 ARG 29 2HH1 ARG 29 3.630 -2.300 -20.336 229 2HH2 ARG 29 1HH1 ARG 29 1.996 -1.763 -20.128 230 H SER 30 H SER 30 8.994 -3.013 -14.066 231 HA SER 30 HA SER 30 7.950 -1.289 -11.982 232 1HB SER 30 2HB SER 30 10.804 -2.200 -12.565 233 2HB SER 30 1HB SER 30 10.330 -1.203 -11.204 234 HG SER 30 HG SER 30 8.697 -3.326 -11.133 235 H GLY 31 H GLY 31 7.154 0.157 -13.846 236 1HA GLY 31 2HA GLY 31 9.366 1.894 -14.771 237 2HA GLY 31 1HA GLY 31 7.954 1.516 -15.737 238 H ILE 32 H ILE 32 5.983 1.606 -13.560 239 HA ILE 32 HA ILE 32 5.362 4.319 -13.653 240 HB ILE 32 HB ILE 32 3.753 2.487 -13.397 241 1HG1 ILE 32 2HG1 ILE 32 3.657 4.577 -11.200 242 2HG1 ILE 32 1HG1 ILE 32 3.121 4.794 -12.855 243 1HG2 ILE 32 1HG2 ILE 32 5.418 1.701 -11.264 244 2HG2 ILE 32 2HG2 ILE 32 3.863 2.171 -10.538 245 3HG2 ILE 32 3HG2 ILE 32 3.910 0.936 -11.820 246 1HD1 ILE 32 1HD1 ILE 32 2.005 2.531 -11.170 247 2HD1 ILE 32 2HD1 ILE 32 1.338 4.176 -11.051 248 3HD1 ILE 32 3HD1 ILE 32 1.291 3.308 -12.603 249 H SER 33 H SER 33 5.089 5.802 -11.739 250 HA SER 33 HA SER 33 7.406 5.456 -10.004 251 1HB SER 33 2HB SER 33 6.504 7.671 -11.629 252 2HB SER 33 1HB SER 33 6.452 8.166 -9.949 253 HG SER 33 HG SER 33 8.553 8.469 -11.141 254 H ILE 34 H ILE 34 6.965 5.101 -7.858 255 HA ILE 34 HA ILE 34 4.612 6.341 -6.706 256 HB ILE 34 HB ILE 34 3.685 4.333 -5.841 257 1HG1 ILE 34 2HG1 ILE 34 5.547 2.529 -7.324 258 2HG1 ILE 34 1HG1 ILE 34 6.131 3.251 -5.837 259 1HG2 ILE 34 1HG2 ILE 34 2.952 4.980 -8.075 260 2HG2 ILE 34 2HG2 ILE 34 4.254 4.007 -8.801 261 3HG2 ILE 34 3HG2 ILE 34 2.947 3.210 -7.892 262 1HD1 ILE 34 1HD1 ILE 34 3.502 2.412 -5.223 263 2HD1 ILE 34 2HD1 ILE 34 4.194 1.095 -6.200 264 3HD1 ILE 34 3HD1 ILE 34 5.017 1.629 -4.715 265 H ASN 35 H ASN 35 4.633 6.015 -4.244 266 HA ASN 35 HA ASN 35 7.332 6.481 -3.428 267 1HB ASN 35 2HB ASN 35 5.069 6.320 -1.438 268 2HB ASN 35 1HB ASN 35 6.389 7.472 -1.514 269 1HD2 ASN 35 1HD2 ASN 35 3.340 6.481 -2.963 270 2HD2 ASN 35 2HD2 ASN 35 2.899 8.005 -3.657 271 H THR 36 H THR 36 7.554 3.956 -4.142 272 HA THR 36 HA THR 36 6.505 1.980 -2.450 273 HB THR 36 HB THR 36 7.403 1.567 -4.730 274 HG1 THR 36 1HG THR 36 7.583 -0.269 -3.414 275 1HG2 THR 36 1HG2 THR 36 9.325 2.943 -5.024 276 2HG2 THR 36 2HG2 THR 36 9.972 2.536 -3.416 277 3HG2 THR 36 3HG2 THR 36 10.036 1.339 -4.732 278 H ASP 37 H ASP 37 8.721 4.464 -1.756 279 HA ASP 37 HA ASP 37 10.713 3.564 -0.367 280 1HB ASP 37 2HB ASP 37 8.801 5.771 0.008 281 2HB ASP 37 1HB ASP 37 9.515 5.281 1.531 282 H ASN 38 H ASN 38 7.510 4.074 1.312 283 HA ASN 38 HA ASN 38 8.167 1.738 2.931 284 1HB ASN 38 2HB ASN 38 6.367 3.030 4.503 285 2HB ASN 38 1HB ASN 38 8.084 3.368 4.588 286 1HD2 ASN 38 1HD2 ASN 38 5.050 4.654 4.193 287 2HD2 ASN 38 2HD2 ASN 38 5.440 6.210 3.538 288 H ALA 39 H ALA 39 6.810 1.655 0.351 289 HA ALA 39 HA ALA 39 3.987 1.387 1.043 290 1HB ALA 39 1HB ALA 39 3.562 1.757 -1.181 291 2HB ALA 39 2HB ALA 39 5.156 2.542 -1.097 292 3HB ALA 39 3HB ALA 39 5.014 0.880 -1.717 293 H ASP 40 H ASP 40 6.924 -0.431 0.699 294 HA ASP 40 HA ASP 40 5.330 -2.860 0.449 295 1HB ASP 40 2HB ASP 40 7.106 -2.368 -1.330 296 2HB ASP 40 1HB ASP 40 8.318 -2.515 -0.073 297 H LEU 41 H LEU 41 4.999 -3.546 2.592 298 HA LEU 41 HA LEU 41 7.343 -3.467 4.360 299 1HB LEU 41 2HB LEU 41 4.454 -3.552 5.212 300 2HB LEU 41 1HB LEU 41 5.864 -3.269 6.212 301 HG LEU 41 HG LEU 41 4.742 -1.189 5.917 302 1HD1 LEU 41 1HD1 LEU 41 7.243 -1.203 5.806 303 2HD1 LEU 41 2HD1 LEU 41 7.110 -1.120 4.033 304 3HD1 LEU 41 3HD1 LEU 41 6.471 0.204 5.036 305 1HD2 LEU 41 1HD2 LEU 41 3.884 -2.178 3.502 306 2HD2 LEU 41 2HD2 LEU 41 3.658 -0.512 4.083 307 3HD2 LEU 41 3HD2 LEU 41 5.023 -0.903 3.012 308 H ASN 42 H ASN 42 7.477 -5.494 2.615 309 HA ASN 42 HA ASN 42 7.123 -7.718 4.329 310 1HB ASN 42 2HB ASN 42 5.592 -7.643 1.675 311 2HB ASN 42 1HB ASN 42 5.763 -9.065 2.684 312 1HD2 ASN 42 1HD2 ASN 42 4.394 -9.415 4.289 313 2HD2 ASN 42 2HD2 ASN 42 3.185 -8.317 4.865 314 H GLU 43 H GLU 43 7.987 -6.154 1.249 315 HA GLU 43 HA GLU 43 9.881 -6.343 0.122 316 1HB GLU 43 2HB GLU 43 10.724 -7.699 2.259 317 2HB GLU 43 1HB GLU 43 10.559 -9.082 1.196 318 1HG GLU 43 2HG GLU 43 11.884 -7.414 -0.498 319 2HG GLU 43 1HG GLU 43 12.464 -6.765 1.023 320 H ASP 44 H ASP 44 7.224 -7.184 -0.650 321 HA ASP 44 HA ASP 44 7.892 -9.412 -2.407 322 1HB ASP 44 2HB ASP 44 5.054 -8.787 -2.350 323 2HB ASP 44 1HB ASP 44 5.853 -10.291 -1.935 324 H GLY 45 H GLY 45 6.652 -6.090 -2.031 325 1HA GLY 45 2HA GLY 45 7.362 -5.008 -4.364 326 2HA GLY 45 1HA GLY 45 5.892 -5.845 -4.828 327 H ARG 46 H ARG 46 3.865 -5.382 -3.533 328 HA ARG 46 HA ARG 46 3.959 -2.981 -1.992 329 1HB ARG 46 2HB ARG 46 2.832 -3.093 -4.784 330 2HB ARG 46 1HB ARG 46 1.900 -2.202 -3.597 331 1HG ARG 46 2HG ARG 46 3.358 -0.462 -3.641 332 2HG ARG 46 1HG ARG 46 4.721 -1.520 -3.329 333 1HD ARG 46 2HD ARG 46 3.511 -0.778 -6.023 334 2HD ARG 46 1HD ARG 46 5.154 -0.517 -5.473 335 HE ARG 46 HE ARG 46 4.011 -3.059 -6.458 336 1HH1 ARG 46 2HH2 ARG 46 6.710 -1.457 -4.865 337 2HH1 ARG 46 1HH2 ARG 46 7.830 -2.735 -5.198 338 1HH2 ARG 46 2HH1 ARG 46 5.490 -4.745 -6.896 339 2HH2 ARG 46 1HH1 ARG 46 7.132 -4.618 -6.361 340 H VAL 47 H VAL 47 1.534 -4.892 -3.941 341 HA VAL 47 HA VAL 47 0.366 -5.856 -1.466 342 HB VAL 47 HB VAL 47 -1.854 -5.096 -2.026 343 1HG1 VAL 47 1HG1 VAL 47 -0.356 -3.640 -0.657 344 2HG1 VAL 47 2HG1 VAL 47 0.056 -2.739 -2.135 345 3HG1 VAL 47 3HG1 VAL 47 -1.618 -2.742 -1.533 346 1HG2 VAL 47 1HG2 VAL 47 -0.724 -4.647 -4.617 347 2HG2 VAL 47 2HG2 VAL 47 -2.426 -4.544 -4.107 348 3HG2 VAL 47 3HG2 VAL 47 -1.381 -3.107 -4.013 349 H ASN 48 H ASN 48 1.573 -7.722 -2.525 350 HA ASN 48 HA ASN 48 0.837 -8.703 -4.974 351 1HB ASN 48 2HB ASN 48 1.705 -10.904 -4.093 352 2HB ASN 48 1HB ASN 48 2.785 -9.569 -3.744 353 1HD2 ASN 48 1HD2 ASN 48 2.981 -8.765 -1.666 354 2HD2 ASN 48 2HD2 ASN 48 2.448 -9.626 -0.261 355 H SER 49 H SER 49 -0.527 -9.162 -1.663 356 HA SER 49 HA SER 49 -3.080 -9.479 -2.371 357 1HB SER 49 2HB SER 49 -1.561 -11.949 -2.935 358 2HB SER 49 1HB SER 49 -2.936 -12.227 -1.885 359 HG SER 49 HG SER 49 -4.348 -11.477 -3.452 360 H THR 50 H THR 50 -0.354 -10.537 -0.352 361 HA THR 50 HA THR 50 -2.030 -11.094 1.932 362 HB THR 50 HB THR 50 0.955 -11.080 1.309 363 HG1 THR 50 1HG THR 50 -0.623 -12.850 0.747 364 1HG2 THR 50 1HG2 THR 50 0.620 -10.322 3.708 365 2HG2 THR 50 2HG2 THR 50 -0.381 -11.769 3.978 366 3HG2 THR 50 3HG2 THR 50 1.346 -11.944 3.586 367 H ASP 51 H ASP 51 -0.118 -8.390 0.625 368 HA ASP 51 HA ASP 51 -0.150 -6.956 3.043 369 1HB ASP 51 2HB ASP 51 1.171 -6.726 0.644 370 2HB ASP 51 1HB ASP 51 -0.031 -5.467 0.449 371 H LEU 52 H LEU 52 -2.100 -7.001 -0.011 372 HA LEU 52 HA LEU 52 -3.652 -4.840 0.189 373 1HB LEU 52 2HB LEU 52 -3.672 -7.115 -1.278 374 2HB LEU 52 1HB LEU 52 -5.134 -7.341 -0.340 375 HG LEU 52 HG LEU 52 -4.847 -4.667 -1.573 376 1HD1 LEU 52 1HD1 LEU 52 -3.967 -5.708 -3.454 377 2HD1 LEU 52 2HD1 LEU 52 -4.941 -7.180 -3.225 378 3HD1 LEU 52 3HD1 LEU 52 -5.715 -5.680 -3.790 379 1HD2 LEU 52 1HD2 LEU 52 -7.230 -5.064 -2.106 380 2HD2 LEU 52 2HD2 LEU 52 -7.093 -6.695 -1.408 381 3HD2 LEU 52 3HD2 LEU 52 -6.860 -5.262 -0.377 382 H GLY 53 H GLY 53 -4.476 -7.989 1.818 383 1HA GLY 53 2HA GLY 53 -6.650 -7.100 3.261 384 2HA GLY 53 1HA GLY 53 -5.579 -8.404 3.732 385 H ILE 54 H ILE 54 -3.413 -7.706 4.780 386 HA ILE 54 HA ILE 54 -3.809 -6.451 7.111 387 HB ILE 54 HB ILE 54 -1.607 -7.369 5.592 388 1HG1 ILE 54 2HG1 ILE 54 -2.258 -8.194 7.787 389 2HG1 ILE 54 1HG1 ILE 54 -0.587 -7.662 7.795 390 1HG2 ILE 54 1HG2 ILE 54 -1.038 -4.708 6.927 391 2HG2 ILE 54 2HG2 ILE 54 0.161 -5.818 6.221 392 3HG2 ILE 54 3HG2 ILE 54 -1.036 -5.019 5.174 393 1HD1 ILE 54 1HD1 ILE 54 -2.311 -6.922 9.718 394 2HD1 ILE 54 2HD1 ILE 54 -1.018 -5.833 9.161 395 3HD1 ILE 54 3HD1 ILE 54 -2.677 -5.632 8.547 396 H LEU 55 H LEU 55 -3.016 -4.890 3.965 397 HA LEU 55 HA LEU 55 -2.691 -2.313 5.007 398 1HB LEU 55 2HB LEU 55 -3.126 -3.546 2.341 399 2HB LEU 55 1HB LEU 55 -3.479 -1.836 2.492 400 HG LEU 55 HG LEU 55 -1.130 -2.579 1.716 401 1HD1 LEU 55 1HD1 LEU 55 -1.793 -0.449 3.717 402 2HD1 LEU 55 2HD1 LEU 55 -0.105 -0.682 3.205 403 3HD1 LEU 55 3HD1 LEU 55 -1.357 -0.308 1.997 404 1HD2 LEU 55 1HD2 LEU 55 0.495 -2.881 3.578 405 2HD2 LEU 55 2HD2 LEU 55 -0.878 -3.052 4.696 406 3HD2 LEU 55 3HD2 LEU 55 -0.643 -4.235 3.387 407 H LYS 56 H LYS 56 -5.539 -3.759 3.264 408 HA LYS 56 HA LYS 56 -7.226 -1.613 3.891 409 1HB LYS 56 2HB LYS 56 -8.931 -2.886 2.892 410 2HB LYS 56 1HB LYS 56 -7.468 -3.332 2.037 411 1HG LYS 56 2HG LYS 56 -7.713 -5.504 2.641 412 2HG LYS 56 1HG LYS 56 -7.748 -5.070 4.339 413 1HD LYS 56 2HD LYS 56 -10.243 -4.333 3.833 414 2HD LYS 56 1HD LYS 56 -10.073 -5.345 2.412 415 1HE LYS 56 2HE LYS 56 -9.021 -6.801 4.681 416 2HE LYS 56 1HE LYS 56 -10.592 -6.163 5.125 417 1HZ LYS 56 1HZ LYS 56 -11.024 -7.069 2.653 418 2HZ LYS 56 2HZ LYS 56 -9.938 -8.160 3.196 419 3HZ LYS 56 3HZ LYS 56 -11.331 -7.918 4.014 420 H ARG 57 H ARG 57 -5.749 -3.810 5.946 421 HA ARG 57 HA ARG 57 -8.028 -4.087 7.669 422 1HB ARG 57 2HB ARG 57 -5.560 -5.510 7.250 423 2HB ARG 57 1HB ARG 57 -5.540 -4.940 8.906 424 1HG ARG 57 2HG ARG 57 -8.097 -6.176 7.907 425 2HG ARG 57 1HG ARG 57 -6.744 -7.253 8.192 426 1HD ARG 57 2HD ARG 57 -6.914 -5.429 10.430 427 2HD ARG 57 1HD ARG 57 -8.517 -6.072 10.135 428 HE ARG 57 HE ARG 57 -6.414 -8.117 10.087 429 1HH1 ARG 57 2HH2 ARG 57 -8.674 -6.340 12.116 430 2HH1 ARG 57 1HH2 ARG 57 -8.694 -7.540 13.365 431 1HH2 ARG 57 2HH1 ARG 57 -6.440 -9.700 11.735 432 2HH2 ARG 57 1HH1 ARG 57 -7.416 -9.464 13.147 433 H TYR 58 H TYR 58 -4.706 -2.619 7.688 434 HA TYR 58 HA TYR 58 -5.323 -1.220 10.157 435 1HB TYR 58 2HB TYR 58 -2.972 -1.101 10.237 436 2HB TYR 58 1HB TYR 58 -3.083 -2.402 9.068 437 HD1 TYR 58 1HD TYR 58 -2.993 1.346 9.212 438 HD2 TYR 58 2HD TYR 58 -1.977 -2.189 7.028 439 HE1 TYR 58 1HE TYR 58 -1.724 2.751 7.517 440 HE2 TYR 58 2HE TYR 58 -0.711 -0.773 5.339 441 HH TYR 58 HH TYR 58 -1.103 2.479 5.062 442 H ILE 59 H ILE 59 -5.049 -0.654 6.650 443 HA ILE 59 HA ILE 59 -4.904 2.175 6.886 444 HB ILE 59 HB ILE 59 -4.969 2.208 4.560 445 1HG1 ILE 59 2HG1 ILE 59 -5.651 -0.379 3.667 446 2HG1 ILE 59 1HG1 ILE 59 -6.867 0.042 4.857 447 1HG2 ILE 59 1HG2 ILE 59 -2.944 1.292 4.611 448 2HG2 ILE 59 2HG2 ILE 59 -3.418 0.135 5.878 449 3HG2 ILE 59 3HG2 ILE 59 -3.716 -0.248 4.165 450 1HD1 ILE 59 1HD1 ILE 59 -6.343 1.231 2.187 451 2HD1 ILE 59 2HD1 ILE 59 -7.856 1.158 3.123 452 3HD1 ILE 59 3HD1 ILE 59 -6.652 2.421 3.474 453 H LEU 60 H LEU 60 -7.420 -0.210 7.182 454 HA LEU 60 HA LEU 60 -9.483 1.762 6.600 455 1HB LEU 60 2HB LEU 60 -9.496 -0.637 5.748 456 2HB LEU 60 1HB LEU 60 -9.844 -1.122 7.395 457 HG LEU 60 HG LEU 60 -11.816 -0.910 5.809 458 1HD1 LEU 60 1HD1 LEU 60 -11.637 -0.608 8.511 459 2HD1 LEU 60 2HD1 LEU 60 -12.478 0.890 8.047 460 3HD1 LEU 60 3HD1 LEU 60 -13.160 -0.690 7.593 461 1HD2 LEU 60 1HD2 LEU 60 -11.853 2.024 6.351 462 2HD2 LEU 60 2HD2 LEU 60 -10.825 1.423 5.028 463 3HD2 LEU 60 3HD2 LEU 60 -12.573 1.089 5.018 464 H LYS 61 H LYS 61 -7.441 1.156 9.103 465 HA LYS 61 HA LYS 61 -9.538 1.732 11.080 466 1HB LYS 61 2HB LYS 61 -7.060 0.022 11.281 467 2HB LYS 61 1HB LYS 61 -7.795 0.724 12.708 468 1HG LYS 61 2HG LYS 61 -9.916 -0.399 12.268 469 2HG LYS 61 1HG LYS 61 -9.377 -0.921 10.684 470 1HD LYS 61 2HD LYS 61 -7.735 -2.435 11.639 471 2HD LYS 61 1HD LYS 61 -7.942 -1.755 13.242 472 1HE LYS 61 2HE LYS 61 -10.266 -2.607 13.343 473 2HE LYS 61 1HE LYS 61 -10.149 -3.199 11.698 474 1HZ LYS 61 1HZ LYS 61 -8.218 -4.539 12.534 475 2HZ LYS 61 2HZ LYS 61 -8.694 -4.161 14.049 476 3HZ LYS 61 3HZ LYS 61 -9.691 -5.001 13.065 477 H GLU 62 H GLU 62 -6.303 1.879 12.229 478 HA GLU 62 HA GLU 62 -6.554 4.694 12.505 479 1HB GLU 62 2HB GLU 62 -5.066 2.557 13.746 480 2HB GLU 62 1HB GLU 62 -3.923 3.785 13.238 481 1HG GLU 62 2HG GLU 62 -5.189 5.530 14.436 482 2HG GLU 62 1HG GLU 62 -6.452 4.386 14.842 483 H ILE 63 H ILE 63 -5.479 2.659 10.013 484 HA ILE 63 HA ILE 63 -3.873 2.860 8.423 485 HB ILE 63 HB ILE 63 -5.852 3.797 7.490 486 1HG1 ILE 63 2HG1 ILE 63 -3.640 3.988 6.263 487 2HG1 ILE 63 1HG1 ILE 63 -4.935 5.028 5.707 488 1HG2 ILE 63 1HG2 ILE 63 -5.127 6.187 9.127 489 2HG2 ILE 63 2HG2 ILE 63 -5.971 6.443 7.581 490 3HG2 ILE 63 3HG2 ILE 63 -6.709 5.425 8.840 491 1HD1 ILE 63 1HD1 ILE 63 -2.418 5.747 7.188 492 2HD1 ILE 63 2HD1 ILE 63 -3.216 6.586 5.836 493 3HD1 ILE 63 3HD1 ILE 63 -3.869 6.735 7.486 494 H ASP 64 H ASP 64 -1.853 2.896 9.464 495 HA ASP 64 HA ASP 64 -0.076 4.653 8.952 496 1HB ASP 64 2HB ASP 64 -1.018 6.632 9.777 497 2HB ASP 64 1HB ASP 64 -1.808 5.823 11.116 498 H THR 65 H THR 65 -1.643 2.667 11.375 499 HA THR 65 HA THR 65 0.736 2.342 12.997 500 HB THR 65 HB THR 65 -2.113 1.235 13.026 501 HG1 THR 65 1HG THR 65 -1.414 3.495 13.720 502 1HG2 THR 65 1HG2 THR 65 -0.748 0.856 15.526 503 2HG2 THR 65 2HG2 THR 65 -1.440 -0.399 14.471 504 3HG2 THR 65 3HG2 THR 65 0.257 0.099 14.267 505 H LEU 66 H LEU 66 -1.200 0.437 10.623 506 HA LEU 66 HA LEU 66 -0.788 -1.576 9.738 507 1HB LEU 66 2HB LEU 66 0.580 0.217 8.515 508 2HB LEU 66 1HB LEU 66 1.983 -0.488 9.293 509 HG LEU 66 HG LEU 66 0.088 -2.151 7.630 510 1HD1 LEU 66 1HD1 LEU 66 1.101 -0.097 6.418 511 2HD1 LEU 66 2HD1 LEU 66 2.632 -1.000 6.511 512 3HD1 LEU 66 3HD1 LEU 66 1.233 -1.703 5.662 513 1HD2 LEU 66 1HD2 LEU 66 1.441 -3.845 8.102 514 2HD2 LEU 66 2HD2 LEU 66 2.872 -2.920 7.588 515 3HD2 LEU 66 3HD2 LEU 66 2.280 -2.787 9.262 516 HA PRO 67 HA PRO 67 1.144 -3.578 13.212 517 1HB PRO 67 2HB PRO 67 -0.690 -5.588 13.468 518 2HB PRO 67 1HB PRO 67 -0.814 -4.062 14.323 519 1HG PRO 67 2HG PRO 67 -2.352 -5.004 11.981 520 2HG PRO 67 1HG PRO 67 -2.732 -3.704 13.093 521 1HD PRO 67 2HD PRO 67 -1.696 -3.438 10.432 522 2HD PRO 67 1HD PRO 67 -1.966 -2.147 11.585 523 H TYR 68 H TYR 68 0.805 -4.233 10.029 524 HA TYR 68 HA TYR 68 1.455 -5.949 8.713 525 1HB TYR 68 2HB TYR 68 4.003 -6.374 9.323 526 2HB TYR 68 1HB TYR 68 3.528 -4.731 8.943 527 HD1 TYR 68 1HD TYR 68 3.821 -2.986 10.515 528 HD2 TYR 68 2HD TYR 68 4.155 -7.056 11.790 529 HE1 TYR 68 1HE TYR 68 4.712 -2.215 12.767 530 HE2 TYR 68 2HE TYR 68 5.045 -6.271 14.038 531 HH TYR 68 HH TYR 68 5.668 -2.840 14.631 532 H LYS 69 H LYS 69 -0.159 -7.054 10.762 533 HA LYS 69 HA LYS 69 1.337 -9.491 11.433 534 1HB LYS 69 2HB LYS 69 -0.434 -7.776 12.977 535 2HB LYS 69 1HB LYS 69 -1.021 -9.427 12.950 536 1HG LYS 69 2HG LYS 69 1.910 -9.264 13.330 537 2HG LYS 69 1HG LYS 69 1.018 -8.441 14.594 538 1HD LYS 69 2HD LYS 69 0.684 -10.472 15.553 539 2HD LYS 69 1HD LYS 69 -0.420 -10.831 14.240 540 1HE LYS 69 2HE LYS 69 1.045 -12.611 13.970 541 2HE LYS 69 1HE LYS 69 1.850 -11.442 12.940 542 1HZ LYS 69 1HZ LYS 69 3.552 -11.982 14.273 543 2HZ LYS 69 2HZ LYS 69 2.928 -10.828 15.246 544 3HZ LYS 69 3HZ LYS 69 2.619 -12.404 15.546 545 H ASN 70 H ASN 70 -0.339 -11.443 11.656 546 HA ASN 70 HA ASN 70 -1.696 -12.823 10.673 547 1HB ASN 70 2HB ASN 70 -3.005 -10.264 10.266 548 2HB ASN 70 1HB ASN 70 -3.228 -11.222 8.816 549 1HD2 ASN 70 1HD2 ASN 70 -5.454 -11.289 9.337 550 2HD2 ASN 70 2HD2 ASN 70 -6.085 -12.410 10.497 551 H GLY 71 H GLY 71 -1.053 -14.189 8.990 552 1HA GLY 71 2HA GLY 71 0.431 -13.020 6.766 553 2HA GLY 71 1HA GLY 71 0.352 -14.709 7.230 Start of MODEL 18 1 H MET 1 H MET 1 -2.289 17.578 4.989 2 HA MET 1 HA MET 1 -2.887 19.622 6.077 3 1HB MET 1 2HB MET 1 -5.477 18.145 6.133 4 2HB MET 1 1HB MET 1 -5.102 18.930 7.654 5 1HG MET 1 2HG MET 1 -4.794 21.104 6.492 6 2HG MET 1 1HG MET 1 -5.068 20.339 4.940 7 1HE MET 1 1HE MET 1 -6.784 22.190 4.543 8 2HE MET 1 2HE MET 1 -8.342 22.361 5.384 9 3HE MET 1 3HE MET 1 -6.838 22.877 6.184 10 H SER 2 H SER 2 -4.179 16.592 7.637 11 HA SER 2 HA SER 2 -1.802 16.391 9.193 12 1HB SER 2 2HB SER 2 -3.998 17.884 10.252 13 2HB SER 2 1HB SER 2 -3.984 16.355 11.107 14 HG SER 2 HG SER 2 -1.694 18.104 10.787 15 H THR 3 H THR 3 -1.637 14.288 8.268 16 HA THR 3 HA THR 3 -3.249 12.296 9.553 17 HB THR 3 HB THR 3 -4.648 13.140 7.558 18 HG1 THR 3 1HG THR 3 -5.035 10.859 7.027 19 1HG2 THR 3 1HG2 THR 3 -2.984 13.444 5.810 20 2HG2 THR 3 2HG2 THR 3 -2.296 11.831 6.107 21 3HG2 THR 3 3HG2 THR 3 -3.910 11.988 5.374 22 H LYS 4 H LYS 4 -2.427 10.114 9.197 23 HA LYS 4 HA LYS 4 0.424 10.259 8.617 24 1HB LYS 4 2HB LYS 4 -1.175 8.937 10.580 25 2HB LYS 4 1HB LYS 4 -0.391 7.703 9.614 26 1HG LYS 4 2HG LYS 4 1.805 8.587 10.068 27 2HG LYS 4 1HG LYS 4 1.158 10.092 10.688 28 1HD LYS 4 2HD LYS 4 0.457 9.118 12.724 29 2HD LYS 4 1HD LYS 4 0.378 7.504 12.046 30 1HE LYS 4 2HE LYS 4 2.570 7.075 12.525 31 2HE LYS 4 1HE LYS 4 3.101 8.616 11.879 32 1HZ LYS 4 1HZ LYS 4 2.765 7.905 14.537 33 2HZ LYS 4 2HZ LYS 4 3.299 9.326 13.935 34 3HZ LYS 4 3HZ LYS 4 1.707 9.107 14.220 35 H LEU 5 H LEU 5 1.447 8.546 7.305 36 HA LEU 5 HA LEU 5 -0.334 7.076 5.567 37 1HB LEU 5 2HB LEU 5 0.002 8.171 3.650 38 2HB LEU 5 1HB LEU 5 0.228 9.538 4.723 39 HG LEU 5 HG LEU 5 1.936 9.564 3.035 40 1HD1 LEU 5 1HD1 LEU 5 2.649 9.118 5.867 41 2HD1 LEU 5 2HD1 LEU 5 3.992 8.991 4.706 42 3HD1 LEU 5 3HD1 LEU 5 3.020 10.479 4.781 43 1HD2 LEU 5 1HD2 LEU 5 1.760 6.865 2.964 44 2HD2 LEU 5 2HD2 LEU 5 3.097 7.800 2.253 45 3HD2 LEU 5 3HD2 LEU 5 3.282 7.065 3.864 46 H TYR 6 H TYR 6 0.715 5.289 4.546 47 HA TYR 6 HA TYR 6 3.548 4.955 5.055 48 1HB TYR 6 2HB TYR 6 2.130 4.171 7.089 49 2HB TYR 6 1HB TYR 6 1.350 3.023 6.019 50 HD1 TYR 6 1HD TYR 6 3.135 1.520 4.619 51 HD2 TYR 6 2HD TYR 6 3.849 3.362 8.413 52 HE1 TYR 6 1HE TYR 6 4.972 -0.170 5.102 53 HE2 TYR 6 2HE TYR 6 5.684 1.666 8.883 54 HH TYR 6 HH TYR 6 7.223 0.254 7.503 55 H GLY 7 H GLY 7 4.292 4.388 3.071 56 1HA GLY 7 2HA GLY 7 4.542 3.187 1.182 57 2HA GLY 7 1HA GLY 7 3.398 2.014 1.805 58 H ASP 8 H ASP 8 3.335 5.479 0.677 59 HA ASP 8 HA ASP 8 0.719 5.016 -0.394 60 1HB ASP 8 2HB ASP 8 2.060 7.231 0.642 61 2HB ASP 8 1HB ASP 8 2.110 7.548 -1.081 62 H VAL 9 H VAL 9 0.225 5.321 -2.720 63 HA VAL 9 HA VAL 9 2.534 4.692 -4.398 64 HB VAL 9 HB VAL 9 -0.447 4.337 -4.703 65 1HG1 VAL 9 1HG1 VAL 9 1.477 4.755 -6.789 66 2HG1 VAL 9 2HG1 VAL 9 0.944 3.056 -6.834 67 3HG1 VAL 9 3HG1 VAL 9 -0.256 4.368 -6.924 68 1HG2 VAL 9 1HG2 VAL 9 1.907 2.499 -4.294 69 2HG2 VAL 9 2HG2 VAL 9 0.360 2.569 -3.416 70 3HG2 VAL 9 3HG2 VAL 9 0.418 1.910 -5.068 71 H ASN 10 H ASN 10 -0.505 6.693 -4.517 72 HA ASN 10 HA ASN 10 0.919 8.453 -6.327 73 1HB ASN 10 2HB ASN 10 -1.504 9.490 -6.480 74 2HB ASN 10 1HB ASN 10 -1.201 7.952 -7.263 75 1HD2 ASN 10 1HD2 ASN 10 -3.557 7.819 -7.058 76 2HD2 ASN 10 2HD2 ASN 10 -4.250 7.147 -5.620 77 H ASP 11 H ASP 11 1.198 8.207 -3.253 78 HA ASP 11 HA ASP 11 1.309 9.449 -1.476 79 1HB ASP 11 2HB ASP 11 1.663 11.496 -3.682 80 2HB ASP 11 1HB ASP 11 1.628 12.037 -2.016 81 H ASP 12 H ASP 12 -1.312 8.764 -1.915 82 HA ASP 12 HA ASP 12 -2.790 11.261 -1.675 83 1HB ASP 12 2HB ASP 12 -3.864 10.101 -3.389 84 2HB ASP 12 1HB ASP 12 -3.422 8.531 -2.749 85 H GLY 13 H GLY 13 -2.604 7.825 -0.470 86 1HA GLY 13 2HA GLY 13 -3.096 8.755 2.252 87 2HA GLY 13 1HA GLY 13 -4.287 7.670 1.561 88 H LYS 14 H LYS 14 -2.864 5.847 0.074 89 HA LYS 14 HA LYS 14 -0.482 4.940 1.147 90 1HB LYS 14 2HB LYS 14 -1.377 2.967 2.472 91 2HB LYS 14 1HB LYS 14 -1.448 4.534 3.252 92 1HG LYS 14 2HG LYS 14 -3.879 4.166 1.719 93 2HG LYS 14 1HG LYS 14 -3.618 2.734 2.695 94 1HD LYS 14 2HD LYS 14 -3.953 3.854 4.679 95 2HD LYS 14 1HD LYS 14 -3.117 5.293 4.132 96 1HE LYS 14 2HE LYS 14 -5.063 6.049 2.874 97 2HE LYS 14 1HE LYS 14 -5.884 4.518 3.107 98 1HZ LYS 14 1HZ LYS 14 -6.781 5.757 4.755 99 2HZ LYS 14 2HZ LYS 14 -5.528 5.125 5.590 100 3HZ LYS 14 3HZ LYS 14 -5.440 6.652 5.018 101 H VAL 15 H VAL 15 -0.132 2.522 0.496 102 HA VAL 15 HA VAL 15 -1.185 2.299 -2.179 103 HB VAL 15 HB VAL 15 1.189 1.981 -1.690 104 1HG1 VAL 15 1HG1 VAL 15 0.369 0.645 0.565 105 2HG1 VAL 15 2HG1 VAL 15 0.892 -0.691 -0.489 106 3HG1 VAL 15 3HG1 VAL 15 2.022 0.627 -0.097 107 1HG2 VAL 15 1HG2 VAL 15 1.441 0.422 -3.315 108 2HG2 VAL 15 2HG2 VAL 15 0.420 -0.772 -2.479 109 3HG2 VAL 15 3HG2 VAL 15 -0.332 0.542 -3.414 110 H ASN 16 H ASN 16 -3.362 1.730 -2.071 111 HA ASN 16 HA ASN 16 -3.795 -0.908 -0.927 112 1HB ASN 16 2HB ASN 16 -6.250 0.125 -0.521 113 2HB ASN 16 1HB ASN 16 -4.990 0.293 0.685 114 1HD2 ASN 16 1HD2 ASN 16 -5.567 2.184 1.565 115 2HD2 ASN 16 2HD2 ASN 16 -5.589 3.710 0.746 116 H SER 17 H SER 17 -6.312 -1.503 -1.766 117 HA SER 17 HA SER 17 -6.135 -2.031 -4.380 118 1HB SER 17 2HB SER 17 -7.871 -3.146 -3.300 119 2HB SER 17 1HB SER 17 -8.443 -1.705 -2.484 120 HG SER 17 HG SER 17 -9.967 -1.822 -4.015 121 H THR 18 H THR 18 -6.977 1.040 -2.850 122 HA THR 18 HA THR 18 -8.299 2.223 -5.046 123 HB THR 18 HB THR 18 -6.669 3.648 -2.896 124 HG1 THR 18 1HG THR 18 -7.971 2.461 -1.553 125 1HG2 THR 18 1HG2 THR 18 -8.101 4.865 -4.750 126 2HG2 THR 18 2HG2 THR 18 -9.500 4.232 -3.850 127 3HG2 THR 18 3HG2 THR 18 -8.351 5.331 -3.051 128 H ASP 19 H ASP 19 -4.846 1.996 -4.086 129 HA ASP 19 HA ASP 19 -4.162 3.604 -6.371 130 1HB ASP 19 2HB ASP 19 -2.555 2.297 -4.138 131 2HB ASP 19 1HB ASP 19 -1.772 3.080 -5.496 132 H ALA 20 H ALA 20 -5.406 0.771 -6.454 133 HA ALA 20 HA ALA 20 -3.470 -1.107 -7.144 134 1HB ALA 20 1HB ALA 20 -5.372 -2.308 -8.156 135 2HB ALA 20 2HB ALA 20 -5.823 -1.616 -6.579 136 3HB ALA 20 3HB ALA 20 -6.354 -0.825 -8.083 137 H VAL 21 H VAL 21 -5.206 1.400 -9.059 138 HA VAL 21 HA VAL 21 -4.662 0.713 -11.586 139 HB VAL 21 HB VAL 21 -4.484 3.389 -10.210 140 1HG1 VAL 21 1HG1 VAL 21 -3.346 4.061 -12.054 141 2HG1 VAL 21 2HG1 VAL 21 -3.892 2.678 -13.032 142 3HG1 VAL 21 3HG1 VAL 21 -4.970 4.072 -12.781 143 1HG2 VAL 21 1HG2 VAL 21 -6.658 3.364 -11.929 144 2HG2 VAL 21 2HG2 VAL 21 -6.624 1.704 -11.286 145 3HG2 VAL 21 3HG2 VAL 21 -6.705 3.089 -10.170 146 H ALA 22 H ALA 22 -2.329 2.250 -9.284 147 HA ALA 22 HA ALA 22 -0.217 2.091 -11.224 148 1HB ALA 22 1HB ALA 22 -0.217 3.959 -9.718 149 2HB ALA 22 2HB ALA 22 -0.385 2.899 -8.299 150 3HB ALA 22 3HB ALA 22 1.134 2.909 -9.226 151 H LEU 23 H LEU 23 -1.478 0.215 -8.464 152 HA LEU 23 HA LEU 23 0.764 -1.375 -8.025 153 1HB LEU 23 2HB LEU 23 -1.499 -1.050 -6.742 154 2HB LEU 23 1HB LEU 23 -2.024 -2.413 -7.712 155 HG LEU 23 HG LEU 23 0.291 -3.431 -6.777 156 1HD1 LEU 23 1HD1 LEU 23 0.495 -2.832 -4.371 157 2HD1 LEU 23 2HD1 LEU 23 0.944 -1.515 -5.480 158 3HD1 LEU 23 3HD1 LEU 23 -0.630 -1.481 -4.650 159 1HD2 LEU 23 1HD2 LEU 23 -2.075 -3.536 -4.941 160 2HD2 LEU 23 2HD2 LEU 23 -2.221 -4.159 -6.602 161 3HD2 LEU 23 3HD2 LEU 23 -1.000 -4.840 -5.501 162 H LYS 24 H LYS 24 -2.213 -2.118 -9.981 163 HA LYS 24 HA LYS 24 -1.308 -4.485 -11.034 164 1HB LYS 24 2HB LYS 24 -3.626 -3.553 -11.151 165 2HB LYS 24 1HB LYS 24 -3.091 -2.449 -12.402 166 1HG LYS 24 2HG LYS 24 -2.186 -5.094 -13.122 167 2HG LYS 24 1HG LYS 24 -3.876 -5.215 -12.670 168 1HD LYS 24 2HD LYS 24 -4.380 -3.276 -14.225 169 2HD LYS 24 1HD LYS 24 -2.703 -3.287 -14.731 170 1HE LYS 24 2HE LYS 24 -2.917 -5.290 -15.913 171 2HE LYS 24 1HE LYS 24 -4.170 -5.910 -14.857 172 1HZ LYS 24 1HZ LYS 24 -4.976 -5.241 -17.046 173 2HZ LYS 24 2HZ LYS 24 -5.722 -4.423 -15.846 174 3HZ LYS 24 3HZ LYS 24 -4.568 -3.690 -16.739 175 H ARG 25 H ARG 25 -0.487 -1.129 -11.886 176 HA ARG 25 HA ARG 25 0.753 -1.902 -14.310 177 1HB ARG 25 2HB ARG 25 -0.045 0.534 -13.057 178 2HB ARG 25 1HB ARG 25 1.693 0.660 -13.245 179 1HG ARG 25 2HG ARG 25 1.561 0.820 -15.526 180 2HG ARG 25 1HG ARG 25 0.366 -0.456 -15.643 181 1HD ARG 25 2HD ARG 25 -1.376 1.026 -15.699 182 2HD ARG 25 1HD ARG 25 -0.735 1.967 -14.366 183 HE ARG 25 HE ARG 25 0.401 3.369 -15.897 184 1HH1 ARG 25 2HH2 ARG 25 -0.985 0.595 -17.561 185 2HH1 ARG 25 1HH2 ARG 25 -0.723 1.252 -19.142 186 1HH2 ARG 25 2HH1 ARG 25 0.747 4.236 -17.983 187 2HH2 ARG 25 1HH1 ARG 25 0.269 3.336 -19.385 188 H TYR 26 H TYR 26 1.677 -1.466 -10.903 189 HA TYR 26 HA TYR 26 4.496 -1.448 -11.451 190 1HB TYR 26 2HB TYR 26 3.213 -0.340 -9.501 191 2HB TYR 26 1HB TYR 26 2.823 -1.944 -8.911 192 HD1 TYR 26 1HD TYR 26 5.180 0.728 -8.796 193 HD2 TYR 26 2HD TYR 26 4.828 -3.511 -8.343 194 HE1 TYR 26 1HE TYR 26 7.346 0.683 -7.465 195 HE2 TYR 26 2HE TYR 26 6.994 -3.543 -7.014 196 HH TYR 26 HH TYR 26 8.228 -1.757 -5.544 197 H VAL 27 H VAL 27 1.959 -3.830 -10.750 198 HA VAL 27 HA VAL 27 3.822 -5.870 -9.993 199 HB VAL 27 HB VAL 27 0.930 -6.141 -10.819 200 1HG1 VAL 27 1HG1 VAL 27 2.387 -7.796 -8.762 201 2HG1 VAL 27 2HG1 VAL 27 0.923 -8.188 -9.696 202 3HG1 VAL 27 3HG1 VAL 27 2.512 -8.176 -10.497 203 1HG2 VAL 27 1HG2 VAL 27 0.241 -5.100 -8.971 204 2HG2 VAL 27 2HG2 VAL 27 1.341 -6.061 -7.953 205 3HG2 VAL 27 3HG2 VAL 27 1.917 -4.558 -8.714 206 H LEU 28 H LEU 28 1.930 -4.944 -12.923 207 HA LEU 28 HA LEU 28 3.174 -7.120 -14.388 208 1HB LEU 28 2HB LEU 28 0.745 -5.591 -14.564 209 2HB LEU 28 1HB LEU 28 1.618 -5.482 -16.080 210 HG LEU 28 HG LEU 28 -0.025 -7.314 -16.050 211 1HD1 LEU 28 1HD1 LEU 28 2.084 -9.131 -16.339 212 2HD1 LEU 28 2HD1 LEU 28 1.342 -8.123 -17.603 213 3HD1 LEU 28 3HD1 LEU 28 2.780 -7.541 -16.731 214 1HD2 LEU 28 1HD2 LEU 28 1.039 -9.377 -14.619 215 2HD2 LEU 28 2HD2 LEU 28 1.374 -7.995 -13.548 216 3HD2 LEU 28 3HD2 LEU 28 -0.294 -8.332 -14.070 217 H ARG 29 H ARG 29 4.147 -4.145 -13.332 218 HA ARG 29 HA ARG 29 5.874 -2.937 -13.865 219 1HB ARG 29 2HB ARG 29 6.800 -5.084 -14.954 220 2HB ARG 29 1HB ARG 29 6.188 -4.484 -16.483 221 1HG ARG 29 2HG ARG 29 8.503 -3.815 -16.362 222 2HG ARG 29 1HG ARG 29 7.551 -2.363 -16.120 223 1HD ARG 29 2HD ARG 29 8.308 -2.081 -13.977 224 2HD ARG 29 1HD ARG 29 8.103 -3.775 -13.581 225 HE ARG 29 HE ARG 29 10.309 -3.647 -15.342 226 1HH1 ARG 29 2HH2 ARG 29 9.467 -2.430 -12.148 227 2HH1 ARG 29 1HH2 ARG 29 11.105 -2.412 -11.584 228 1HH2 ARG 29 2HH1 ARG 29 12.469 -3.623 -14.598 229 2HH2 ARG 29 1HH1 ARG 29 12.823 -3.095 -12.987 230 H SER 30 H SER 30 6.399 -1.039 -15.281 231 HA SER 30 HA SER 30 5.369 -0.432 -17.651 232 1HB SER 30 2HB SER 30 3.209 -0.500 -15.681 233 2HB SER 30 1HB SER 30 3.360 1.104 -16.371 234 HG SER 30 HG SER 30 3.024 0.288 -18.448 235 H GLY 31 H GLY 31 5.420 1.982 -18.102 236 1HA GLY 31 2HA GLY 31 7.505 3.216 -16.630 237 2HA GLY 31 1HA GLY 31 6.548 3.923 -17.916 238 H ILE 32 H ILE 32 5.947 2.738 -14.522 239 HA ILE 32 HA ILE 32 4.496 5.256 -14.080 240 HB ILE 32 HB ILE 32 3.234 3.012 -14.122 241 1HG1 ILE 32 2HG1 ILE 32 3.032 5.129 -11.985 242 2HG1 ILE 32 1HG1 ILE 32 2.076 4.941 -13.442 243 1HG2 ILE 32 1HG2 ILE 32 3.278 1.636 -12.213 244 2HG2 ILE 32 2HG2 ILE 32 4.985 1.901 -12.641 245 3HG2 ILE 32 3HG2 ILE 32 4.258 2.801 -11.289 246 1HD1 ILE 32 1HD1 ILE 32 2.048 3.034 -11.056 247 2HD1 ILE 32 2HD1 ILE 32 0.791 4.231 -11.449 248 3HD1 ILE 32 3HD1 ILE 32 1.075 2.849 -12.534 249 H SER 33 H SER 33 4.710 6.224 -11.937 250 HA SER 33 HA SER 33 7.132 5.304 -10.600 251 1HB SER 33 2HB SER 33 6.488 7.938 -11.756 252 2HB SER 33 1HB SER 33 6.959 8.053 -10.072 253 HG SER 33 HG SER 33 8.975 7.831 -10.730 254 H ILE 34 H ILE 34 6.855 4.906 -8.422 255 HA ILE 34 HA ILE 34 4.709 6.317 -7.045 256 HB ILE 34 HB ILE 34 3.738 4.350 -6.156 257 1HG1 ILE 34 2HG1 ILE 34 5.328 2.419 -7.752 258 2HG1 ILE 34 1HG1 ILE 34 6.163 3.158 -6.399 259 1HG2 ILE 34 1HG2 ILE 34 2.921 5.062 -8.352 260 2HG2 ILE 34 2HG2 ILE 34 4.108 3.997 -9.144 261 3HG2 ILE 34 3HG2 ILE 34 2.805 3.297 -8.152 262 1HD1 ILE 34 1HD1 ILE 34 4.229 2.522 -4.905 263 2HD1 ILE 34 2HD1 ILE 34 3.500 1.669 -6.286 264 3HD1 ILE 34 3HD1 ILE 34 5.060 1.122 -5.623 265 H ASN 35 H ASN 35 4.872 5.533 -4.553 266 HA ASN 35 HA ASN 35 7.655 6.004 -3.940 267 1HB ASN 35 2HB ASN 35 5.442 5.863 -1.865 268 2HB ASN 35 1HB ASN 35 6.898 6.839 -1.840 269 1HD2 ASN 35 1HD2 ASN 35 3.744 6.400 -3.329 270 2HD2 ASN 35 2HD2 ASN 35 3.504 8.029 -3.867 271 H THR 36 H THR 36 7.931 3.576 -4.687 272 HA THR 36 HA THR 36 6.850 1.533 -3.039 273 HB THR 36 HB THR 36 7.550 1.183 -5.396 274 HG1 THR 36 1HG THR 36 9.377 -0.073 -3.476 275 1HG2 THR 36 1HG2 THR 36 10.040 0.996 -5.849 276 2HG2 THR 36 2HG2 THR 36 9.510 2.672 -5.565 277 3HG2 THR 36 3HG2 THR 36 10.340 1.771 -4.274 278 H ASP 37 H ASP 37 9.091 3.943 -2.337 279 HA ASP 37 HA ASP 37 11.152 2.750 -1.119 280 1HB ASP 37 2HB ASP 37 9.646 5.259 -0.802 281 2HB ASP 37 1HB ASP 37 10.353 4.746 0.717 282 H ASN 38 H ASN 38 8.319 3.983 0.811 283 HA ASN 38 HA ASN 38 8.745 1.756 2.619 284 1HB ASN 38 2HB ASN 38 7.059 3.206 4.048 285 2HB ASN 38 1HB ASN 38 8.717 3.751 3.894 286 1HD2 ASN 38 1HD2 ASN 38 5.817 4.921 4.078 287 2HD2 ASN 38 2HD2 ASN 38 5.837 6.247 2.963 288 H ALA 39 H ALA 39 7.482 1.186 0.107 289 HA ALA 39 HA ALA 39 4.641 1.352 0.393 290 1HB ALA 39 1HB ALA 39 5.300 1.387 -1.830 291 2HB ALA 39 2HB ALA 39 6.615 0.215 -1.571 292 3HB ALA 39 3HB ALA 39 4.925 -0.341 -1.631 293 H ASP 40 H ASP 40 6.302 -1.696 -0.460 294 HA ASP 40 HA ASP 40 4.568 -3.079 1.301 295 1HB ASP 40 2HB ASP 40 5.015 -4.333 -0.617 296 2HB ASP 40 1HB ASP 40 6.672 -3.773 -0.728 297 H LEU 41 H LEU 41 5.539 -4.784 2.888 298 HA LEU 41 HA LEU 41 8.107 -3.897 3.975 299 1HB LEU 41 2HB LEU 41 5.769 -4.514 5.761 300 2HB LEU 41 1HB LEU 41 7.304 -3.776 6.177 301 HG LEU 41 HG LEU 41 5.704 -2.049 6.253 302 1HD1 LEU 41 1HD1 LEU 41 6.450 -1.123 3.639 303 2HD1 LEU 41 2HD1 LEU 41 7.052 -0.614 5.235 304 3HD1 LEU 41 3HD1 LEU 41 7.823 -1.975 4.385 305 1HD2 LEU 41 1HD2 LEU 41 3.865 -1.820 4.968 306 2HD2 LEU 41 2HD2 LEU 41 4.717 -2.262 3.470 307 3HD2 LEU 41 3HD2 LEU 41 4.175 -3.532 4.593 308 H ASN 42 H ASN 42 7.926 -6.004 2.238 309 HA ASN 42 HA ASN 42 8.731 -8.110 3.938 310 1HB ASN 42 2HB ASN 42 6.552 -8.982 2.043 311 2HB ASN 42 1HB ASN 42 7.038 -9.699 3.567 312 1HD2 ASN 42 1HD2 ASN 42 6.156 -9.043 5.459 313 2HD2 ASN 42 2HD2 ASN 42 4.843 -7.922 5.602 314 H GLU 43 H GLU 43 9.761 -6.357 1.769 315 HA GLU 43 HA GLU 43 10.750 -6.384 -0.177 316 1HB GLU 43 2HB GLU 43 11.756 -8.489 1.388 317 2HB GLU 43 1HB GLU 43 11.542 -9.217 -0.191 318 1HG GLU 43 2HG GLU 43 12.726 -7.051 -1.105 319 2HG GLU 43 1HG GLU 43 13.238 -6.809 0.554 320 H ASP 44 H ASP 44 8.039 -6.646 -0.582 321 HA ASP 44 HA ASP 44 7.883 -8.732 -2.612 322 1HB ASP 44 2HB ASP 44 5.618 -7.266 -1.179 323 2HB ASP 44 1HB ASP 44 5.413 -8.558 -2.345 324 H GLY 45 H GLY 45 7.336 -5.295 -1.717 325 1HA GLY 45 2HA GLY 45 7.966 -3.794 -3.632 326 2HA GLY 45 1HA GLY 45 6.749 -4.663 -4.546 327 H ARG 46 H ARG 46 4.513 -4.877 -3.211 328 HA ARG 46 HA ARG 46 4.051 -2.448 -1.733 329 1HB ARG 46 2HB ARG 46 2.627 -3.194 -4.328 330 2HB ARG 46 1HB ARG 46 1.906 -2.095 -3.168 331 1HG ARG 46 2HG ARG 46 3.105 -0.406 -4.089 332 2HG ARG 46 1HG ARG 46 4.568 -1.165 -3.493 333 1HD ARG 46 2HD ARG 46 3.267 -1.518 -6.224 334 2HD ARG 46 1HD ARG 46 4.871 -0.908 -5.871 335 HE ARG 46 HE ARG 46 5.608 -3.150 -5.360 336 1HH1 ARG 46 2HH2 ARG 46 2.259 -3.001 -6.431 337 2HH1 ARG 46 1HH2 ARG 46 2.166 -4.693 -6.792 338 1HH2 ARG 46 2HH1 ARG 46 5.485 -5.381 -5.837 339 2HH2 ARG 46 1HH1 ARG 46 4.013 -6.056 -6.452 340 H VAL 47 H VAL 47 1.486 -4.337 -3.347 341 HA VAL 47 HA VAL 47 1.045 -5.841 -0.876 342 HB VAL 47 HB VAL 47 -1.328 -5.329 -0.964 343 1HG1 VAL 47 1HG1 VAL 47 -0.351 -2.562 -1.011 344 2HG1 VAL 47 2HG1 VAL 47 -1.050 -3.510 0.324 345 3HG1 VAL 47 3HG1 VAL 47 0.681 -3.659 -0.064 346 1HG2 VAL 47 1HG2 VAL 47 -0.649 -4.267 -3.575 347 2HG2 VAL 47 2HG2 VAL 47 -2.244 -4.652 -2.885 348 3HG2 VAL 47 3HG2 VAL 47 -1.514 -3.054 -2.601 349 H ASN 48 H ASN 48 1.684 -7.810 -1.742 350 HA ASN 48 HA ASN 48 0.807 -8.522 -4.352 351 1HB ASN 48 2HB ASN 48 2.663 -9.557 -2.301 352 2HB ASN 48 1HB ASN 48 1.745 -10.854 -3.041 353 1HD2 ASN 48 1HD2 ASN 48 3.037 -7.747 -4.217 354 2HD2 ASN 48 2HD2 ASN 48 3.940 -8.377 -5.555 355 H SER 49 H SER 49 -0.029 -9.162 -0.921 356 HA SER 49 HA SER 49 -2.619 -9.728 -1.325 357 1HB SER 49 2HB SER 49 -0.945 -12.032 -2.058 358 2HB SER 49 1HB SER 49 -2.086 -12.439 -0.791 359 HG SER 49 HG SER 49 -2.543 -11.941 -3.482 360 H THR 50 H THR 50 0.412 -10.477 0.385 361 HA THR 50 HA THR 50 -0.905 -11.143 2.853 362 HB THR 50 HB THR 50 1.996 -10.612 2.029 363 HG1 THR 50 1HG THR 50 1.646 -12.706 1.410 364 1HG2 THR 50 1HG2 THR 50 1.816 -10.249 4.465 365 2HG2 THR 50 2HG2 THR 50 0.802 -11.702 4.633 366 3HG2 THR 50 3HG2 THR 50 2.515 -11.860 4.176 367 H ASP 51 H ASP 51 0.596 -8.254 1.363 368 HA ASP 51 HA ASP 51 0.401 -6.799 3.790 369 1HB ASP 51 2HB ASP 51 1.334 -6.347 1.006 370 2HB ASP 51 1HB ASP 51 0.631 -4.921 1.744 371 H LEU 52 H LEU 52 -1.259 -6.832 0.550 372 HA LEU 52 HA LEU 52 -3.010 -4.831 0.753 373 1HB LEU 52 2HB LEU 52 -3.541 -5.790 -1.156 374 2HB LEU 52 1HB LEU 52 -2.825 -7.310 -0.660 375 HG LEU 52 HG LEU 52 -5.031 -7.766 0.577 376 1HD1 LEU 52 1HD1 LEU 52 -6.248 -5.843 0.705 377 2HD1 LEU 52 2HD1 LEU 52 -5.704 -5.252 -0.884 378 3HD1 LEU 52 3HD1 LEU 52 -6.940 -6.528 -0.785 379 1HD2 LEU 52 1HD2 LEU 52 -6.163 -8.451 -1.594 380 2HD2 LEU 52 2HD2 LEU 52 -4.782 -7.703 -2.432 381 3HD2 LEU 52 3HD2 LEU 52 -4.515 -9.067 -1.319 382 H GLY 53 H GLY 53 -3.311 -8.042 2.378 383 1HA GLY 53 2HA GLY 53 -5.836 -7.654 3.503 384 2HA GLY 53 1HA GLY 53 -4.577 -8.712 4.108 385 H ILE 54 H ILE 54 -2.561 -7.224 5.043 386 HA ILE 54 HA ILE 54 -3.571 -6.124 7.394 387 HB ILE 54 HB ILE 54 -1.084 -6.850 6.309 388 1HG1 ILE 54 2HG1 ILE 54 -2.070 -7.405 8.536 389 2HG1 ILE 54 1HG1 ILE 54 -0.386 -6.922 8.588 390 1HG2 ILE 54 1HG2 ILE 54 0.385 -5.013 6.969 391 2HG2 ILE 54 2HG2 ILE 54 -0.719 -4.517 5.664 392 3HG2 ILE 54 3HG2 ILE 54 -1.030 -3.999 7.339 393 1HD1 ILE 54 1HD1 ILE 54 -1.005 -4.650 9.305 394 2HD1 ILE 54 2HD1 ILE 54 -2.732 -5.046 9.140 395 3HD1 ILE 54 3HD1 ILE 54 -1.751 -5.845 10.392 396 H LEU 55 H LEU 55 -2.455 -4.616 4.312 397 HA LEU 55 HA LEU 55 -2.660 -1.977 5.196 398 1HB LEU 55 2HB LEU 55 -2.452 -3.402 2.610 399 2HB LEU 55 1HB LEU 55 -3.116 -1.781 2.542 400 HG LEU 55 HG LEU 55 -0.891 -1.432 4.140 401 1HD1 LEU 55 1HD1 LEU 55 0.806 -2.809 3.642 402 2HD1 LEU 55 2HD1 LEU 55 -0.474 -3.934 3.128 403 3HD1 LEU 55 3HD1 LEU 55 0.354 -2.917 1.925 404 1HD2 LEU 55 1HD2 LEU 55 -0.421 -1.110 1.242 405 2HD2 LEU 55 2HD2 LEU 55 -1.909 -0.357 1.864 406 3HD2 LEU 55 3HD2 LEU 55 -0.332 0.075 2.566 407 H LYS 56 H LYS 56 -4.989 -3.940 3.206 408 HA LYS 56 HA LYS 56 -7.015 -2.033 3.299 409 1HB LYS 56 2HB LYS 56 -8.307 -3.601 2.205 410 2HB LYS 56 1HB LYS 56 -6.687 -4.131 1.801 411 1HG LYS 56 2HG LYS 56 -7.237 -6.165 2.646 412 2HG LYS 56 1HG LYS 56 -7.208 -5.434 4.238 413 1HD LYS 56 2HD LYS 56 -9.723 -4.713 3.086 414 2HD LYS 56 1HD LYS 56 -9.493 -6.411 2.722 415 1HE LYS 56 2HE LYS 56 -9.242 -6.990 5.052 416 2HE LYS 56 1HE LYS 56 -9.025 -5.316 5.525 417 1HZ LYS 56 1HZ LYS 56 -11.296 -6.410 5.809 418 2HZ LYS 56 2HZ LYS 56 -11.240 -4.882 5.234 419 3HZ LYS 56 3HZ LYS 56 -11.497 -6.130 4.213 420 H ARG 57 H ARG 57 -5.570 -3.536 5.878 421 HA ARG 57 HA ARG 57 -8.017 -3.985 7.318 422 1HB ARG 57 2HB ARG 57 -5.422 -5.087 7.436 423 2HB ARG 57 1HB ARG 57 -5.519 -4.110 8.887 424 1HG ARG 57 2HG ARG 57 -7.876 -5.870 8.222 425 2HG ARG 57 1HG ARG 57 -6.423 -6.646 8.819 426 1HD ARG 57 2HD ARG 57 -6.768 -4.425 10.534 427 2HD ARG 57 1HD ARG 57 -8.395 -5.025 10.280 428 HE ARG 57 HE ARG 57 -6.477 -7.161 10.844 429 1HH1 ARG 57 2HH2 ARG 57 -8.603 -4.758 12.289 430 2HH1 ARG 57 1HH2 ARG 57 -8.757 -5.610 13.790 431 1HH2 ARG 57 2HH1 ARG 57 -6.680 -8.286 12.823 432 2HH2 ARG 57 1HH1 ARG 57 -7.656 -7.630 14.095 433 H TYR 58 H TYR 58 -4.983 -1.992 7.599 434 HA TYR 58 HA TYR 58 -6.284 -0.312 9.584 435 1HB TYR 58 2HB TYR 58 -4.004 0.421 9.940 436 2HB TYR 58 1HB TYR 58 -3.821 -1.270 9.516 437 HD1 TYR 58 1HD TYR 58 -2.212 -1.814 7.936 438 HD2 TYR 58 2HD TYR 58 -3.993 2.073 7.808 439 HE1 TYR 58 1HE TYR 58 -0.664 -1.161 6.029 440 HE2 TYR 58 2HE TYR 58 -2.437 2.714 5.900 441 HH TYR 58 HH TYR 58 -1.176 1.180 4.016 442 H ILE 59 H ILE 59 -5.184 -0.274 6.179 443 HA ILE 59 HA ILE 59 -5.276 2.475 5.781 444 HB ILE 59 HB ILE 59 -5.254 1.981 3.475 445 1HG1 ILE 59 2HG1 ILE 59 -5.612 -0.682 3.003 446 2HG1 ILE 59 1HG1 ILE 59 -6.789 -0.420 4.276 447 1HG2 ILE 59 1HG2 ILE 59 -3.152 1.425 4.120 448 2HG2 ILE 59 2HG2 ILE 59 -3.707 0.196 5.282 449 3HG2 ILE 59 3HG2 ILE 59 -3.673 -0.176 3.542 450 1HD1 ILE 59 1HD1 ILE 59 -8.165 0.359 2.642 451 2HD1 ILE 59 2HD1 ILE 59 -7.145 1.818 2.638 452 3HD1 ILE 59 3HD1 ILE 59 -6.823 0.505 1.481 453 H LEU 60 H LEU 60 -7.785 0.238 6.545 454 HA LEU 60 HA LEU 60 -9.939 1.119 5.131 455 1HB LEU 60 2HB LEU 60 -9.429 -0.443 7.418 456 2HB LEU 60 1HB LEU 60 -10.643 0.726 7.897 457 HG LEU 60 HG LEU 60 -11.165 -0.587 5.302 458 1HD1 LEU 60 1HD1 LEU 60 -11.717 -2.733 6.097 459 2HD1 LEU 60 2HD1 LEU 60 -10.090 -2.395 6.733 460 3HD1 LEU 60 3HD1 LEU 60 -11.509 -2.251 7.797 461 1HD2 LEU 60 1HD2 LEU 60 -12.803 0.889 6.260 462 2HD2 LEU 60 2HD2 LEU 60 -13.440 -0.772 6.291 463 3HD2 LEU 60 3HD2 LEU 60 -12.811 -0.032 7.783 464 H LYS 61 H LYS 61 -8.739 2.474 8.284 465 HA LYS 61 HA LYS 61 -9.006 5.108 7.556 466 1HB LYS 61 2HB LYS 61 -11.141 5.647 8.893 467 2HB LYS 61 1HB LYS 61 -11.311 5.038 7.260 468 1HG LYS 61 2HG LYS 61 -12.875 3.797 8.607 469 2HG LYS 61 1HG LYS 61 -11.563 2.695 8.240 470 1HD LYS 61 2HD LYS 61 -11.035 2.456 10.438 471 2HD LYS 61 1HD LYS 61 -10.962 4.191 10.677 472 1HE LYS 61 2HE LYS 61 -13.404 4.305 10.988 473 2HE LYS 61 1HE LYS 61 -13.574 2.609 10.582 474 1HZ LYS 61 1HZ LYS 61 -13.290 2.225 12.718 475 2HZ LYS 61 2HZ LYS 61 -11.729 2.683 12.582 476 3HZ LYS 61 3HZ LYS 61 -12.862 3.766 13.043 477 H GLU 62 H GLU 62 -8.984 2.495 9.906 478 HA GLU 62 HA GLU 62 -8.605 4.040 12.181 479 1HB GLU 62 2HB GLU 62 -8.751 1.293 11.526 480 2HB GLU 62 1HB GLU 62 -7.175 1.489 12.267 481 1HG GLU 62 2HG GLU 62 -8.917 3.037 13.878 482 2HG GLU 62 1HG GLU 62 -9.831 1.588 13.507 483 H ILE 63 H ILE 63 -6.352 2.750 9.696 484 HA ILE 63 HA ILE 63 -4.128 2.907 9.510 485 HB ILE 63 HB ILE 63 -4.755 4.885 8.438 486 1HG1 ILE 63 2HG1 ILE 63 -2.931 6.566 9.385 487 2HG1 ILE 63 1HG1 ILE 63 -2.452 5.169 10.329 488 1HG2 ILE 63 1HG2 ILE 63 -6.367 5.700 10.087 489 2HG2 ILE 63 2HG2 ILE 63 -5.035 6.211 11.149 490 3HG2 ILE 63 3HG2 ILE 63 -5.261 6.993 9.566 491 1HD1 ILE 63 1HD1 ILE 63 -2.645 3.911 7.976 492 2HD1 ILE 63 2HD1 ILE 63 -2.402 5.555 7.342 493 3HD1 ILE 63 3HD1 ILE 63 -1.180 4.823 8.409 494 H ASP 64 H ASP 64 -3.140 1.687 11.100 495 HA ASP 64 HA ASP 64 -1.542 2.941 12.885 496 1HB ASP 64 2HB ASP 64 -3.251 3.658 14.333 497 2HB ASP 64 1HB ASP 64 -4.265 2.269 13.996 498 H THR 65 H THR 65 -3.649 0.183 12.051 499 HA THR 65 HA THR 65 -2.088 -1.757 13.481 500 HB THR 65 HB THR 65 -4.227 -2.070 11.310 501 HG1 THR 65 1HG THR 65 -4.330 -2.093 14.241 502 1HG2 THR 65 1HG2 THR 65 -3.974 -4.306 11.702 503 2HG2 THR 65 2HG2 THR 65 -2.674 -3.975 12.872 504 3HG2 THR 65 3HG2 THR 65 -4.370 -4.014 13.413 505 H LEU 66 H LEU 66 -0.174 -0.414 12.211 506 HA LEU 66 HA LEU 66 0.738 -2.396 10.314 507 1HB LEU 66 2HB LEU 66 -0.538 -0.352 9.204 508 2HB LEU 66 1HB LEU 66 1.006 0.443 9.443 509 HG LEU 66 HG LEU 66 0.286 -1.822 7.630 510 1HD1 LEU 66 1HD1 LEU 66 0.591 0.717 7.071 511 2HD1 LEU 66 2HD1 LEU 66 2.323 0.309 7.085 512 3HD1 LEU 66 3HD1 LEU 66 1.220 -0.532 5.969 513 1HD2 LEU 66 1HD2 LEU 66 3.000 -1.451 8.904 514 2HD2 LEU 66 2HD2 LEU 66 2.003 -2.923 8.818 515 3HD2 LEU 66 3HD2 LEU 66 2.767 -2.278 7.346 516 HA PRO 67 HA PRO 67 3.787 -0.714 13.253 517 1HB PRO 67 2HB PRO 67 4.254 -2.978 14.711 518 2HB PRO 67 1HB PRO 67 3.135 -1.727 15.215 519 1HG PRO 67 2HG PRO 67 2.547 -4.395 14.083 520 2HG PRO 67 1HG PRO 67 1.485 -3.322 14.973 521 1HD PRO 67 2HD PRO 67 1.494 -3.766 12.140 522 2HD PRO 67 1HD PRO 67 0.513 -2.608 13.015 523 H TYR 68 H TYR 68 3.594 -3.508 11.260 524 HA TYR 68 HA TYR 68 6.060 -4.520 11.216 525 1HB TYR 68 2HB TYR 68 4.144 -3.580 9.010 526 2HB TYR 68 1HB TYR 68 5.593 -4.471 8.588 527 HD1 TYR 68 1HD TYR 68 2.181 -4.714 9.659 528 HD2 TYR 68 2HD TYR 68 5.911 -6.811 9.630 529 HE1 TYR 68 1HE TYR 68 0.961 -6.906 10.066 530 HE2 TYR 68 2HE TYR 68 4.677 -8.996 10.038 531 HH TYR 68 HH TYR 68 1.585 -9.142 11.128 532 H LYS 69 H LYS 69 8.129 -3.849 10.922 533 HA LYS 69 HA LYS 69 9.856 -2.669 10.170 534 1HB LYS 69 2HB LYS 69 7.877 -2.082 8.212 535 2HB LYS 69 1HB LYS 69 8.665 -0.569 8.609 536 1HG LYS 69 2HG LYS 69 10.403 -3.002 8.205 537 2HG LYS 69 1HG LYS 69 9.695 -2.255 6.787 538 1HD LYS 69 2HD LYS 69 10.868 -0.234 7.087 539 2HD LYS 69 1HD LYS 69 11.058 -0.475 8.812 540 1HE LYS 69 2HE LYS 69 12.975 -1.725 8.563 541 2HE LYS 69 1HE LYS 69 12.367 -2.571 7.154 542 1HZ LYS 69 1HZ LYS 69 14.190 -1.081 6.637 543 2HZ LYS 69 2HZ LYS 69 12.835 -0.644 5.835 544 3HZ LYS 69 3HZ LYS 69 13.323 0.208 7.141 545 H ASN 70 H ASN 70 7.179 -0.218 10.413 546 HA ASN 70 HA ASN 70 8.765 0.979 12.549 547 1HB ASN 70 2HB ASN 70 7.495 2.127 10.132 548 2HB ASN 70 1HB ASN 70 7.021 2.975 11.590 549 1HD2 ASN 70 1HD2 ASN 70 9.666 2.008 9.529 550 2HD2 ASN 70 2HD2 ASN 70 10.862 3.111 10.122 551 H GLY 71 H GLY 71 7.695 0.738 14.517 552 1HA GLY 71 2HA GLY 71 5.641 1.523 15.665 553 2HA GLY 71 1HA GLY 71 4.738 0.629 14.458 Start of MODEL 19 1 H MET 1 H MET 1 -3.675 21.830 6.054 2 HA MET 1 HA MET 1 -1.679 21.172 7.711 3 1HB MET 1 2HB MET 1 -4.421 20.067 7.116 4 2HB MET 1 1HB MET 1 -3.408 19.080 8.151 5 1HG MET 1 2HG MET 1 -3.094 20.966 9.719 6 2HG MET 1 1HG MET 1 -3.974 22.042 8.652 7 1HE MET 1 1HE MET 1 -5.480 22.636 10.790 8 2HE MET 1 2HE MET 1 -6.372 21.414 11.728 9 3HE MET 1 3HE MET 1 -4.593 21.436 11.760 10 H SER 2 H SER 2 -1.517 18.491 8.333 11 HA SER 2 HA SER 2 -0.668 17.194 5.883 12 1HB SER 2 2HB SER 2 1.094 18.222 7.971 13 2HB SER 2 1HB SER 2 1.263 16.484 7.838 14 HG SER 2 HG SER 2 2.104 18.474 6.100 15 H THR 3 H THR 3 -0.712 14.853 6.012 16 HA THR 3 HA THR 3 -2.112 13.871 8.412 17 HB THR 3 HB THR 3 -3.445 13.916 6.268 18 HG1 THR 3 1HG THR 3 -4.158 11.842 6.822 19 1HG2 THR 3 1HG2 THR 3 -2.415 11.634 4.962 20 2HG2 THR 3 2HG2 THR 3 -2.372 13.301 4.339 21 3HG2 THR 3 3HG2 THR 3 -0.984 12.655 5.246 22 H LYS 4 H LYS 4 -1.861 11.129 7.930 23 HA LYS 4 HA LYS 4 1.034 10.723 7.851 24 1HB LYS 4 2HB LYS 4 -0.548 10.717 10.228 25 2HB LYS 4 1HB LYS 4 -0.080 9.061 9.900 26 1HG LYS 4 2HG LYS 4 2.265 9.610 9.877 27 2HG LYS 4 1HG LYS 4 1.944 11.328 9.755 28 1HD LYS 4 2HD LYS 4 0.926 11.300 12.043 29 2HD LYS 4 1HD LYS 4 1.252 9.583 12.165 30 1HE LYS 4 2HE LYS 4 3.426 9.941 12.738 31 2HE LYS 4 1HE LYS 4 3.678 11.026 11.385 32 1HZ LYS 4 1HZ LYS 4 2.957 11.644 14.096 33 2HZ LYS 4 2HZ LYS 4 3.835 12.512 13.027 34 3HZ LYS 4 3HZ LYS 4 2.204 12.541 12.958 35 H LEU 5 H LEU 5 1.499 9.173 6.394 36 HA LEU 5 HA LEU 5 -0.389 6.964 6.135 37 1HB LEU 5 2HB LEU 5 0.144 7.198 3.578 38 2HB LEU 5 1HB LEU 5 -1.193 8.047 4.328 39 HG LEU 5 HG LEU 5 0.113 9.421 2.724 40 1HD1 LEU 5 1HD1 LEU 5 -1.044 10.179 5.060 41 2HD1 LEU 5 2HD1 LEU 5 0.596 10.837 5.270 42 3HD1 LEU 5 3HD1 LEU 5 -0.374 11.303 3.852 43 1HD2 LEU 5 1HD2 LEU 5 2.331 8.759 2.891 44 2HD2 LEU 5 2HD2 LEU 5 2.328 10.342 3.705 45 3HD2 LEU 5 3HD2 LEU 5 2.334 8.845 4.668 46 H TYR 6 H TYR 6 0.666 5.141 4.779 47 HA TYR 6 HA TYR 6 3.564 5.197 4.870 48 1HB TYR 6 2HB TYR 6 2.645 4.462 7.157 49 2HB TYR 6 1HB TYR 6 1.755 3.186 6.351 50 HD1 TYR 6 1HD TYR 6 2.676 1.133 6.916 51 HD2 TYR 6 2HD TYR 6 5.299 4.390 6.012 52 HE1 TYR 6 1HE TYR 6 4.683 -0.409 7.152 53 HE2 TYR 6 2HE TYR 6 7.298 2.837 6.252 54 HH TYR 6 HH TYR 6 7.905 0.686 6.312 55 H GLY 7 H GLY 7 3.771 4.794 2.680 56 1HA GLY 7 2HA GLY 7 4.107 3.136 1.072 57 2HA GLY 7 1HA GLY 7 2.848 2.155 1.794 58 H ASP 8 H ASP 8 2.876 5.644 0.779 59 HA ASP 8 HA ASP 8 0.328 5.270 -0.423 60 1HB ASP 8 2HB ASP 8 1.677 7.412 0.694 61 2HB ASP 8 1HB ASP 8 1.873 7.753 -1.013 62 H VAL 9 H VAL 9 -0.011 4.791 -2.609 63 HA VAL 9 HA VAL 9 2.281 4.419 -4.283 64 HB VAL 9 HB VAL 9 -0.693 4.055 -4.627 65 1HG1 VAL 9 1HG1 VAL 9 1.168 4.487 -6.706 66 2HG1 VAL 9 2HG1 VAL 9 0.856 2.735 -6.677 67 3HG1 VAL 9 3HG1 VAL 9 -0.498 3.878 -6.842 68 1HG2 VAL 9 1HG2 VAL 9 1.369 2.464 -3.489 69 2HG2 VAL 9 2HG2 VAL 9 -0.336 2.032 -3.764 70 3HG2 VAL 9 3HG2 VAL 9 0.884 1.687 -5.015 71 H ASN 10 H ASN 10 -0.755 6.409 -4.552 72 HA ASN 10 HA ASN 10 0.741 8.126 -6.352 73 1HB ASN 10 2HB ASN 10 -1.695 9.097 -6.694 74 2HB ASN 10 1HB ASN 10 -1.292 7.555 -7.422 75 1HD2 ASN 10 1HD2 ASN 10 -3.575 7.182 -7.414 76 2HD2 ASN 10 2HD2 ASN 10 -4.374 6.574 -6.002 77 H ASP 11 H ASP 11 1.070 8.101 -3.376 78 HA ASP 11 HA ASP 11 1.058 9.398 -1.631 79 1HB ASP 11 2HB ASP 11 2.400 10.814 -3.170 80 2HB ASP 11 1HB ASP 11 0.941 11.585 -3.760 81 H ASP 12 H ASP 12 -1.542 8.445 -2.277 82 HA ASP 12 HA ASP 12 -3.266 10.756 -2.066 83 1HB ASP 12 2HB ASP 12 -4.060 9.187 -3.677 84 2HB ASP 12 1HB ASP 12 -3.679 7.811 -2.660 85 H GLY 13 H GLY 13 -2.694 7.496 -0.530 86 1HA GLY 13 2HA GLY 13 -3.050 8.607 2.114 87 2HA GLY 13 1HA GLY 13 -4.347 7.546 1.602 88 H LYS 14 H LYS 14 -2.955 5.644 0.022 89 HA LYS 14 HA LYS 14 -0.629 4.684 1.237 90 1HB LYS 14 2HB LYS 14 -1.829 2.604 2.270 91 2HB LYS 14 1HB LYS 14 -1.649 4.075 3.203 92 1HG LYS 14 2HG LYS 14 -4.084 4.205 1.594 93 2HG LYS 14 1HG LYS 14 -4.074 2.734 2.546 94 1HD LYS 14 2HD LYS 14 -4.280 3.861 4.538 95 2HD LYS 14 1HD LYS 14 -3.178 5.134 4.052 96 1HE LYS 14 2HE LYS 14 -4.949 6.494 3.661 97 2HE LYS 14 1HE LYS 14 -5.477 5.420 2.381 98 1HZ LYS 14 1HZ LYS 14 -7.099 5.766 4.186 99 2HZ LYS 14 2HZ LYS 14 -6.749 4.193 3.921 100 3HZ LYS 14 3HZ LYS 14 -6.112 4.965 5.212 101 H VAL 15 H VAL 15 -0.820 1.960 0.751 102 HA VAL 15 HA VAL 15 -1.509 1.973 -2.104 103 HB VAL 15 HB VAL 15 0.840 1.715 -1.711 104 1HG1 VAL 15 1HG1 VAL 15 1.763 -0.145 -0.369 105 2HG1 VAL 15 2HG1 VAL 15 0.802 0.984 0.616 106 3HG1 VAL 15 3HG1 VAL 15 0.114 -0.586 0.135 107 1HG2 VAL 15 1HG2 VAL 15 0.969 0.202 -3.348 108 2HG2 VAL 15 2HG2 VAL 15 0.492 -1.110 -2.244 109 3HG2 VAL 15 3HG2 VAL 15 -0.755 -0.157 -3.084 110 H ASN 16 H ASN 16 -3.551 1.164 -2.312 111 HA ASN 16 HA ASN 16 -3.924 -1.511 -1.356 112 1HB ASN 16 2HB ASN 16 -6.131 -0.980 -0.286 113 2HB ASN 16 1HB ASN 16 -4.804 -0.195 0.549 114 1HD2 ASN 16 1HD2 ASN 16 -4.366 2.031 0.138 115 2HD2 ASN 16 2HD2 ASN 16 -5.622 3.116 -0.354 116 H SER 17 H SER 17 -6.661 -1.811 -1.962 117 HA SER 17 HA SER 17 -6.704 -2.024 -4.645 118 1HB SER 17 2HB SER 17 -8.357 -3.171 -3.353 119 2HB SER 17 1HB SER 17 -8.942 -1.690 -2.622 120 HG SER 17 HG SER 17 -10.044 -1.145 -4.463 121 H THR 18 H THR 18 -7.094 0.859 -2.691 122 HA THR 18 HA THR 18 -8.584 2.396 -4.550 123 HB THR 18 HB THR 18 -6.727 3.107 -2.218 124 HG1 THR 18 1HG THR 18 -8.623 2.706 -1.119 125 1HG2 THR 18 1HG2 THR 18 -8.327 4.777 -4.111 126 2HG2 THR 18 2HG2 THR 18 -8.658 5.076 -2.388 127 3HG2 THR 18 3HG2 THR 18 -7.004 5.259 -3.022 128 H ASP 19 H ASP 19 -5.103 1.717 -4.095 129 HA ASP 19 HA ASP 19 -4.632 3.447 -6.389 130 1HB ASP 19 2HB ASP 19 -2.825 2.449 -4.148 131 2HB ASP 19 1HB ASP 19 -2.164 3.159 -5.608 132 H ALA 20 H ALA 20 -5.659 0.542 -6.214 133 HA ALA 20 HA ALA 20 -3.621 -1.244 -6.858 134 1HB ALA 20 1HB ALA 20 -6.396 -1.280 -6.481 135 2HB ALA 20 2HB ALA 20 -6.177 -1.796 -8.170 136 3HB ALA 20 3HB ALA 20 -5.360 -2.678 -6.857 137 H VAL 21 H VAL 21 -5.119 1.358 -8.665 138 HA VAL 21 HA VAL 21 -4.802 0.417 -11.254 139 HB VAL 21 HB VAL 21 -4.940 3.088 -9.924 140 1HG1 VAL 21 1HG1 VAL 21 -3.615 3.991 -11.514 141 2HG1 VAL 21 2HG1 VAL 21 -3.749 2.571 -12.578 142 3HG1 VAL 21 3HG1 VAL 21 -5.041 3.795 -12.561 143 1HG2 VAL 21 1HG2 VAL 21 -6.874 1.418 -10.676 144 2HG2 VAL 21 2HG2 VAL 21 -7.060 3.185 -10.790 145 3HG2 VAL 21 3HG2 VAL 21 -6.636 2.241 -12.237 146 H ALA 22 H ALA 22 -2.559 2.544 -9.333 147 HA ALA 22 HA ALA 22 -0.483 2.303 -11.230 148 1HB ALA 22 1HB ALA 22 -1.057 3.709 -8.783 149 2HB ALA 22 2HB ALA 22 0.554 2.960 -8.656 150 3HB ALA 22 3HB ALA 22 0.188 4.060 -10.007 151 H LEU 23 H LEU 23 -1.682 0.278 -8.627 152 HA LEU 23 HA LEU 23 0.730 -1.072 -8.074 153 1HB LEU 23 2HB LEU 23 -1.655 -0.926 -6.884 154 2HB LEU 23 1HB LEU 23 -1.901 -2.423 -7.760 155 HG LEU 23 HG LEU 23 0.470 -3.016 -6.675 156 1HD1 LEU 23 1HD1 LEU 23 -0.539 -0.703 -5.113 157 2HD1 LEU 23 2HD1 LEU 23 0.076 -2.090 -4.183 158 3HD1 LEU 23 3HD1 LEU 23 1.123 -1.283 -5.376 159 1HD2 LEU 23 1HD2 LEU 23 -0.659 -4.478 -5.336 160 2HD2 LEU 23 2HD2 LEU 23 -1.847 -3.262 -4.809 161 3HD2 LEU 23 3HD2 LEU 23 -1.980 -3.992 -6.426 162 H LYS 24 H LYS 24 -2.120 -1.905 -10.167 163 HA LYS 24 HA LYS 24 -1.162 -4.277 -11.146 164 1HB LYS 24 2HB LYS 24 -3.449 -3.229 -11.448 165 2HB LYS 24 1HB LYS 24 -2.762 -2.253 -12.731 166 1HG LYS 24 2HG LYS 24 -1.859 -4.715 -13.508 167 2HG LYS 24 1HG LYS 24 -3.322 -5.197 -12.672 168 1HD LYS 24 2HD LYS 24 -4.682 -3.700 -14.075 169 2HD LYS 24 1HD LYS 24 -3.247 -3.031 -14.824 170 1HE LYS 24 2HE LYS 24 -2.952 -4.849 -16.212 171 2HE LYS 24 1HE LYS 24 -3.447 -6.001 -14.987 172 1HZ LYS 24 1HZ LYS 24 -4.948 -5.199 -17.059 173 2HZ LYS 24 2HZ LYS 24 -5.521 -5.935 -15.719 174 3HZ LYS 24 3HZ LYS 24 -5.566 -4.307 -15.839 175 H ARG 25 H ARG 25 -0.455 -0.910 -12.219 176 HA ARG 25 HA ARG 25 1.045 -1.738 -14.424 177 1HB ARG 25 2HB ARG 25 0.620 0.824 -12.902 178 2HB ARG 25 1HB ARG 25 2.044 0.750 -13.920 179 1HG ARG 25 2HG ARG 25 0.806 0.981 -15.811 180 2HG ARG 25 1HG ARG 25 -0.251 -0.341 -15.356 181 1HD ARG 25 2HD ARG 25 -1.691 1.117 -14.069 182 2HD ARG 25 1HD ARG 25 -0.526 2.426 -14.105 183 HE ARG 25 HE ARG 25 -1.443 1.534 -16.760 184 1HH1 ARG 25 2HH2 ARG 25 -1.952 3.765 -14.086 185 2HH1 ARG 25 1HH2 ARG 25 -2.828 4.912 -15.043 186 1HH2 ARG 25 2HH1 ARG 25 -2.598 3.047 -18.023 187 2HH2 ARG 25 1HH1 ARG 25 -3.198 4.501 -17.298 188 H TYR 26 H TYR 26 1.689 -1.417 -10.971 189 HA TYR 26 HA TYR 26 4.554 -1.320 -11.298 190 1HB TYR 26 2HB TYR 26 3.168 -0.236 -9.432 191 2HB TYR 26 1HB TYR 26 2.654 -1.832 -8.923 192 HD1 TYR 26 1HD TYR 26 5.169 0.709 -8.609 193 HD2 TYR 26 2HD TYR 26 4.456 -3.480 -8.110 194 HE1 TYR 26 1HE TYR 26 7.190 0.541 -7.075 195 HE2 TYR 26 2HE TYR 26 6.479 -3.635 -6.578 196 HH TYR 26 HH TYR 26 8.749 -2.076 -6.433 197 H VAL 27 H VAL 27 1.990 -3.722 -10.577 198 HA VAL 27 HA VAL 27 3.762 -5.754 -9.749 199 HB VAL 27 HB VAL 27 1.030 -6.085 -10.984 200 1HG1 VAL 27 1HG1 VAL 27 2.836 -7.749 -9.280 201 2HG1 VAL 27 2HG1 VAL 27 1.083 -7.864 -9.000 202 3HG1 VAL 27 3HG1 VAL 27 1.753 -8.226 -10.609 203 1HG2 VAL 27 1HG2 VAL 27 1.745 -4.562 -8.642 204 2HG2 VAL 27 2HG2 VAL 27 0.141 -4.843 -9.361 205 3HG2 VAL 27 3HG2 VAL 27 0.795 -5.990 -8.167 206 H LEU 28 H LEU 28 2.289 -4.823 -12.909 207 HA LEU 28 HA LEU 28 2.949 -6.923 -14.455 208 1HB LEU 28 2HB LEU 28 2.296 -4.190 -14.809 209 2HB LEU 28 1HB LEU 28 3.666 -4.525 -15.850 210 HG LEU 28 HG LEU 28 2.292 -6.580 -16.646 211 1HD1 LEU 28 1HD1 LEU 28 -0.146 -5.006 -16.004 212 2HD1 LEU 28 2HD1 LEU 28 0.081 -6.763 -16.187 213 3HD1 LEU 28 3HD1 LEU 28 0.582 -5.953 -14.684 214 1HD2 LEU 28 1HD2 LEU 28 0.813 -4.743 -18.012 215 2HD2 LEU 28 2HD2 LEU 28 2.143 -3.735 -17.394 216 3HD2 LEU 28 3HD2 LEU 28 2.500 -5.172 -18.380 217 H ARG 29 H ARG 29 5.167 -4.131 -13.740 218 HA ARG 29 HA ARG 29 7.334 -6.020 -13.810 219 1HB ARG 29 2HB ARG 29 8.263 -3.694 -15.236 220 2HB ARG 29 1HB ARG 29 8.173 -5.346 -15.815 221 1HG ARG 29 2HG ARG 29 6.797 -4.183 -17.344 222 2HG ARG 29 1HG ARG 29 5.636 -4.869 -16.225 223 1HD ARG 29 2HD ARG 29 5.545 -2.716 -14.970 224 2HD ARG 29 1HD ARG 29 6.747 -2.025 -16.043 225 HE ARG 29 HE ARG 29 3.913 -2.432 -16.632 226 1HH1 ARG 29 2HH2 ARG 29 7.111 -2.089 -18.060 227 2HH1 ARG 29 1HH2 ARG 29 6.510 -1.539 -19.588 228 1HH2 ARG 29 2HH1 ARG 29 3.119 -1.705 -18.649 229 2HH2 ARG 29 1HH1 ARG 29 4.224 -1.318 -19.925 230 H SER 30 H SER 30 7.311 -2.413 -14.144 231 HA SER 30 HA SER 30 7.237 -1.538 -11.679 232 1HB SER 30 2HB SER 30 9.825 -1.470 -11.086 233 2HB SER 30 1HB SER 30 8.838 -2.841 -10.617 234 HG SER 30 HG SER 30 10.914 -2.681 -12.505 235 H GLY 31 H GLY 31 6.739 -0.441 -14.100 236 1HA GLY 31 2HA GLY 31 8.997 1.339 -14.742 237 2HA GLY 31 1HA GLY 31 7.621 0.984 -15.767 238 H ILE 32 H ILE 32 5.847 1.170 -13.183 239 HA ILE 32 HA ILE 32 5.158 3.894 -13.579 240 HB ILE 32 HB ILE 32 3.575 2.033 -13.129 241 1HG1 ILE 32 2HG1 ILE 32 3.311 4.229 -11.069 242 2HG1 ILE 32 1HG1 ILE 32 3.126 4.531 -12.785 243 1HG2 ILE 32 1HG2 ILE 32 5.246 1.629 -10.860 244 2HG2 ILE 32 2HG2 ILE 32 3.622 2.064 -10.278 245 3HG2 ILE 32 3HG2 ILE 32 3.831 0.688 -11.387 246 1HD1 ILE 32 1HD1 ILE 32 1.476 2.631 -11.065 247 2HD1 ILE 32 2HD1 ILE 32 0.919 4.103 -11.895 248 3HD1 ILE 32 3HD1 ILE 32 1.381 2.668 -12.842 249 H SER 33 H SER 33 4.813 5.369 -11.563 250 HA SER 33 HA SER 33 7.256 5.167 -9.980 251 1HB SER 33 2HB SER 33 6.164 7.339 -11.592 252 2HB SER 33 1HB SER 33 6.326 7.855 -9.924 253 HG SER 33 HG SER 33 8.590 6.726 -10.203 254 H ILE 34 H ILE 34 6.934 4.917 -7.795 255 HA ILE 34 HA ILE 34 4.590 6.125 -6.592 256 HB ILE 34 HB ILE 34 3.820 4.104 -5.563 257 1HG1 ILE 34 2HG1 ILE 34 5.760 2.462 -7.185 258 2HG1 ILE 34 1HG1 ILE 34 6.194 3.060 -5.596 259 1HG2 ILE 34 1HG2 ILE 34 4.122 3.743 -8.557 260 2HG2 ILE 34 2HG2 ILE 34 2.925 2.934 -7.518 261 3HG2 ILE 34 3HG2 ILE 34 2.869 4.700 -7.732 262 1HD1 ILE 34 1HD1 ILE 34 4.887 0.695 -6.022 263 2HD1 ILE 34 2HD1 ILE 34 4.761 1.629 -4.512 264 3HD1 ILE 34 3HD1 ILE 34 3.503 1.784 -5.762 265 H ASN 35 H ASN 35 4.752 5.384 -4.042 266 HA ASN 35 HA ASN 35 7.273 6.461 -3.303 267 1HB ASN 35 2HB ASN 35 6.317 6.705 -1.138 268 2HB ASN 35 1HB ASN 35 4.923 6.839 -2.189 269 1HD2 ASN 35 1HD2 ASN 35 4.923 4.029 -2.933 270 2HD2 ASN 35 2HD2 ASN 35 4.306 3.130 -1.586 271 H THR 36 H THR 36 7.669 3.987 -4.623 272 HA THR 36 HA THR 36 7.598 1.643 -3.320 273 HB THR 36 HB THR 36 8.549 1.650 -5.490 274 HG1 THR 36 1HG THR 36 10.893 1.722 -3.740 275 1HG2 THR 36 1HG2 THR 36 10.360 3.859 -4.407 276 2HG2 THR 36 2HG2 THR 36 10.757 2.959 -5.892 277 3HG2 THR 36 3HG2 THR 36 9.268 3.933 -5.812 278 H ASP 37 H ASP 37 9.543 4.457 -2.407 279 HA ASP 37 HA ASP 37 11.506 3.470 -0.959 280 1HB ASP 37 2HB ASP 37 9.662 5.780 -0.659 281 2HB ASP 37 1HB ASP 37 10.460 5.329 0.835 282 H ASN 38 H ASN 38 8.364 4.334 0.678 283 HA ASN 38 HA ASN 38 8.827 2.064 2.438 284 1HB ASN 38 2HB ASN 38 7.006 3.400 3.843 285 2HB ASN 38 1HB ASN 38 8.673 3.939 3.857 286 1HD2 ASN 38 1HD2 ASN 38 5.758 5.107 3.882 287 2HD2 ASN 38 2HD2 ASN 38 5.873 6.512 2.876 288 H ALA 39 H ALA 39 7.736 1.505 -0.103 289 HA ALA 39 HA ALA 39 4.841 1.487 0.222 290 1HB ALA 39 1HB ALA 39 6.173 2.153 -1.921 291 2HB ALA 39 2HB ALA 39 6.394 0.400 -2.135 292 3HB ALA 39 3HB ALA 39 4.755 1.091 -2.093 293 H ASP 40 H ASP 40 7.470 -0.861 -0.694 294 HA ASP 40 HA ASP 40 5.871 -3.077 -0.272 295 1HB ASP 40 2HB ASP 40 7.885 -3.298 -1.575 296 2HB ASP 40 1HB ASP 40 8.880 -2.632 -0.297 297 H LEU 41 H LEU 41 6.105 -4.724 1.526 298 HA LEU 41 HA LEU 41 7.404 -3.855 3.937 299 1HB LEU 41 2HB LEU 41 4.397 -4.134 3.881 300 2HB LEU 41 1HB LEU 41 5.385 -3.903 5.310 301 HG LEU 41 HG LEU 41 5.247 -1.904 3.039 302 1HD1 LEU 41 1HD1 LEU 41 3.056 -2.452 4.376 303 2HD1 LEU 41 2HD1 LEU 41 3.833 -1.476 5.646 304 3HD1 LEU 41 3HD1 LEU 41 3.522 -0.767 4.043 305 1HD2 LEU 41 1HD2 LEU 41 6.159 -1.487 5.893 306 2HD2 LEU 41 2HD2 LEU 41 7.260 -1.886 4.553 307 3HD2 LEU 41 3HD2 LEU 41 6.319 -0.376 4.511 308 H ASN 42 H ASN 42 7.425 -6.045 1.843 309 HA ASN 42 HA ASN 42 7.792 -8.138 3.642 310 1HB ASN 42 2HB ASN 42 6.020 -9.695 2.803 311 2HB ASN 42 1HB ASN 42 5.316 -8.300 3.596 312 1HD2 ASN 42 1HD2 ASN 42 4.430 -10.198 1.427 313 2HD2 ASN 42 2HD2 ASN 42 3.863 -9.197 0.132 314 H GLU 43 H GLU 43 9.228 -6.728 1.547 315 HA GLU 43 HA GLU 43 10.331 -6.975 -0.319 316 1HB GLU 43 2HB GLU 43 10.284 -9.872 0.623 317 2HB GLU 43 1HB GLU 43 11.302 -9.313 -0.689 318 1HG GLU 43 2HG GLU 43 12.378 -7.654 0.840 319 2HG GLU 43 1HG GLU 43 11.349 -8.191 2.153 320 H ASP 44 H ASP 44 7.595 -6.751 -0.838 321 HA ASP 44 HA ASP 44 7.252 -8.684 -2.995 322 1HB ASP 44 2HB ASP 44 5.027 -8.859 -2.475 323 2HB ASP 44 1HB ASP 44 5.543 -8.283 -0.903 324 H GLY 45 H GLY 45 7.085 -5.285 -1.852 325 1HA GLY 45 2HA GLY 45 7.946 -3.726 -3.618 326 2HA GLY 45 1HA GLY 45 6.680 -4.380 -4.639 327 H ARG 46 H ARG 46 4.374 -4.415 -3.447 328 HA ARG 46 HA ARG 46 4.104 -2.128 -1.732 329 1HB ARG 46 2HB ARG 46 2.010 -1.903 -3.711 330 2HB ARG 46 1HB ARG 46 3.242 -0.726 -3.305 331 1HG ARG 46 2HG ARG 46 3.736 -1.109 -5.559 332 2HG ARG 46 1HG ARG 46 4.822 -2.249 -4.789 333 1HD ARG 46 2HD ARG 46 2.099 -3.338 -5.298 334 2HD ARG 46 1HD ARG 46 2.973 -2.901 -6.753 335 HE ARG 46 HE ARG 46 4.855 -4.302 -5.266 336 1HH1 ARG 46 2HH2 ARG 46 1.599 -5.005 -6.403 337 2HH1 ARG 46 1HH2 ARG 46 1.870 -6.712 -6.514 338 1HH2 ARG 46 2HH1 ARG 46 5.212 -6.554 -5.413 339 2HH2 ARG 46 1HH1 ARG 46 3.938 -7.600 -5.948 340 H VAL 47 H VAL 47 2.276 -4.513 -3.796 341 HA VAL 47 HA VAL 47 1.055 -5.627 -1.451 342 HB VAL 47 HB VAL 47 -0.434 -3.833 -3.330 343 1HG1 VAL 47 1HG1 VAL 47 -1.700 -5.777 -3.698 344 2HG1 VAL 47 2HG1 VAL 47 -1.512 -6.331 -2.019 345 3HG1 VAL 47 3HG1 VAL 47 -2.561 -4.941 -2.384 346 1HG2 VAL 47 1HG2 VAL 47 0.039 -2.797 -1.274 347 2HG2 VAL 47 2HG2 VAL 47 -1.640 -3.359 -1.103 348 3HG2 VAL 47 3HG2 VAL 47 -0.314 -4.273 -0.343 349 H ASN 48 H ASN 48 1.544 -7.722 -1.887 350 HA ASN 48 HA ASN 48 1.484 -8.577 -4.627 351 1HB ASN 48 2HB ASN 48 2.908 -9.336 -2.256 352 2HB ASN 48 1HB ASN 48 1.936 -10.726 -2.696 353 1HD2 ASN 48 1HD2 ASN 48 4.034 -8.239 -4.135 354 2HD2 ASN 48 2HD2 ASN 48 4.822 -9.256 -5.294 355 H SER 49 H SER 49 0.001 -9.384 -1.405 356 HA SER 49 HA SER 49 -2.512 -9.798 -2.419 357 1HB SER 49 2HB SER 49 -2.743 -12.261 -2.312 358 2HB SER 49 1HB SER 49 -1.602 -11.784 -3.553 359 HG SER 49 HG SER 49 0.019 -12.730 -2.489 360 H THR 50 H THR 50 0.011 -10.697 -0.039 361 HA THR 50 HA THR 50 -1.947 -11.073 2.062 362 HB THR 50 HB THR 50 1.111 -11.151 1.926 363 HG1 THR 50 1HG THR 50 0.123 -12.958 0.925 364 1HG2 THR 50 1HG2 THR 50 -0.367 -12.513 4.131 365 2HG2 THR 50 2HG2 THR 50 1.196 -11.661 4.177 366 3HG2 THR 50 3HG2 THR 50 -0.324 -10.738 4.256 367 H ASP 51 H ASP 51 0.420 -8.613 0.969 368 HA ASP 51 HA ASP 51 0.186 -7.043 3.254 369 1HB ASP 51 2HB ASP 51 1.406 -6.891 0.608 370 2HB ASP 51 1HB ASP 51 0.678 -5.348 1.007 371 H LEU 52 H LEU 52 -1.750 -7.490 0.309 372 HA LEU 52 HA LEU 52 -3.095 -5.101 0.150 373 1HB LEU 52 2HB LEU 52 -3.978 -6.187 -1.542 374 2HB LEU 52 1HB LEU 52 -3.239 -7.672 -0.979 375 HG LEU 52 HG LEU 52 -5.333 -7.883 0.548 376 1HD1 LEU 52 1HD1 LEU 52 -6.604 -6.168 -1.581 377 2HD1 LEU 52 2HD1 LEU 52 -7.296 -6.755 -0.050 378 3HD1 LEU 52 3HD1 LEU 52 -6.042 -5.491 -0.033 379 1HD2 LEU 52 1HD2 LEU 52 -6.209 -8.275 -2.242 380 2HD2 LEU 52 2HD2 LEU 52 -4.628 -8.985 -1.834 381 3HD2 LEU 52 3HD2 LEU 52 -6.074 -9.434 -0.899 382 H GLY 53 H GLY 53 -3.761 -7.974 2.235 383 1HA GLY 53 2HA GLY 53 -6.141 -7.009 3.369 384 2HA GLY 53 1HA GLY 53 -5.070 -8.221 4.045 385 H ILE 54 H ILE 54 -2.807 -7.144 4.831 386 HA ILE 54 HA ILE 54 -3.286 -5.781 7.101 387 HB ILE 54 HB ILE 54 -0.934 -6.054 5.301 388 1HG1 ILE 54 2HG1 ILE 54 -1.769 -7.765 7.015 389 2HG1 ILE 54 1HG1 ILE 54 -0.061 -7.371 7.019 390 1HG2 ILE 54 1HG2 ILE 54 -1.249 -3.921 7.358 391 2HG2 ILE 54 2HG2 ILE 54 0.298 -4.798 7.297 392 3HG2 ILE 54 3HG2 ILE 54 -0.298 -3.942 5.854 393 1HD1 ILE 54 1HD1 ILE 54 -0.161 -6.303 9.061 394 2HD1 ILE 54 2HD1 ILE 54 -1.795 -5.662 8.762 395 3HD1 ILE 54 3HD1 ILE 54 -1.582 -7.355 9.268 396 H LEU 55 H LEU 55 -2.653 -4.360 3.838 397 HA LEU 55 HA LEU 55 -2.690 -1.702 4.688 398 1HB LEU 55 2HB LEU 55 -2.969 -3.158 2.109 399 2HB LEU 55 1HB LEU 55 -3.487 -1.485 2.152 400 HG LEU 55 HG LEU 55 -1.120 -1.909 1.380 401 1HD1 LEU 55 1HD1 LEU 55 -1.315 0.300 1.790 402 2HD1 LEU 55 2HD1 LEU 55 -2.012 0.053 3.409 403 3HD1 LEU 55 3HD1 LEU 55 -0.253 -0.079 3.169 404 1HD2 LEU 55 1HD2 LEU 55 -0.932 -3.505 3.604 405 2HD2 LEU 55 2HD2 LEU 55 0.439 -2.887 2.651 406 3HD2 LEU 55 3HD2 LEU 55 -0.081 -2.030 4.122 407 H LYS 56 H LYS 56 -5.316 -3.616 3.048 408 HA LYS 56 HA LYS 56 -7.264 -1.659 3.525 409 1HB LYS 56 2HB LYS 56 -7.564 -3.213 1.742 410 2HB LYS 56 1HB LYS 56 -7.399 -4.593 2.809 411 1HG LYS 56 2HG LYS 56 -9.526 -4.246 3.810 412 2HG LYS 56 1HG LYS 56 -9.592 -2.564 3.322 413 1HD LYS 56 2HD LYS 56 -10.499 -3.069 1.289 414 2HD LYS 56 1HD LYS 56 -9.360 -4.370 1.004 415 1HE LYS 56 2HE LYS 56 -11.124 -5.214 3.123 416 2HE LYS 56 1HE LYS 56 -12.120 -4.555 1.841 417 1HZ LYS 56 1HZ LYS 56 -11.562 -6.213 0.486 418 2HZ LYS 56 2HZ LYS 56 -9.995 -6.252 0.944 419 3HZ LYS 56 3HZ LYS 56 -11.127 -7.011 1.842 420 H ARG 57 H ARG 57 -5.521 -3.378 5.756 421 HA ARG 57 HA ARG 57 -7.752 -3.948 7.470 422 1HB ARG 57 2HB ARG 57 -5.041 -4.887 7.206 423 2HB ARG 57 1HB ARG 57 -5.185 -4.192 8.808 424 1HG ARG 57 2HG ARG 57 -6.849 -5.718 9.480 425 2HG ARG 57 1HG ARG 57 -7.389 -6.019 7.840 426 1HD ARG 57 2HD ARG 57 -5.391 -7.345 7.347 427 2HD ARG 57 1HD ARG 57 -4.648 -6.891 8.868 428 HE ARG 57 HE ARG 57 -7.127 -8.075 9.528 429 1HH1 ARG 57 2HH2 ARG 57 -4.126 -9.036 7.962 430 2HH1 ARG 57 1HH2 ARG 57 -4.263 -10.697 8.435 431 1HH2 ARG 57 2HH1 ARG 57 -7.307 -10.266 10.153 432 2HH2 ARG 57 1HH1 ARG 57 -6.083 -11.402 9.689 433 H TYR 58 H TYR 58 -4.725 -1.927 7.494 434 HA TYR 58 HA TYR 58 -5.744 -0.432 9.765 435 1HB TYR 58 2HB TYR 58 -3.451 0.268 9.882 436 2HB TYR 58 1HB TYR 58 -3.293 -1.324 9.168 437 HD1 TYR 58 1HD TYR 58 -3.481 2.303 8.310 438 HD2 TYR 58 2HD TYR 58 -2.275 -1.605 7.054 439 HE1 TYR 58 1HE TYR 58 -2.263 3.310 6.318 440 HE2 TYR 58 2HE TYR 58 -1.061 -0.585 5.068 441 HH TYR 58 HH TYR 58 -0.048 2.226 4.827 442 H ILE 59 H ILE 59 -5.386 -0.187 6.246 443 HA ILE 59 HA ILE 59 -5.658 2.652 6.191 444 HB ILE 59 HB ILE 59 -5.533 2.461 3.887 445 1HG1 ILE 59 2HG1 ILE 59 -5.835 -0.269 3.216 446 2HG1 ILE 59 1HG1 ILE 59 -7.183 0.120 4.264 447 1HG2 ILE 59 1HG2 ILE 59 -3.958 0.181 3.771 448 2HG2 ILE 59 2HG2 ILE 59 -3.418 1.828 4.177 449 3HG2 ILE 59 3HG2 ILE 59 -3.850 0.688 5.474 450 1HD1 ILE 59 1HD1 ILE 59 -8.102 1.623 2.770 451 2HD1 ILE 59 2HD1 ILE 59 -6.515 2.153 2.166 452 3HD1 ILE 59 3HD1 ILE 59 -7.214 0.617 1.602 453 H LEU 60 H LEU 60 -7.746 0.285 7.196 454 HA LEU 60 HA LEU 60 -10.096 1.032 5.798 455 1HB LEU 60 2HB LEU 60 -9.538 -1.144 7.029 456 2HB LEU 60 1HB LEU 60 -9.958 -0.288 8.499 457 HG LEU 60 HG LEU 60 -12.217 0.203 7.430 458 1HD1 LEU 60 1HD1 LEU 60 -12.763 -0.518 5.391 459 2HD1 LEU 60 2HD1 LEU 60 -11.021 -0.788 5.143 460 3HD1 LEU 60 3HD1 LEU 60 -12.062 -2.129 5.677 461 1HD2 LEU 60 1HD2 LEU 60 -11.356 -1.861 8.995 462 2HD2 LEU 60 2HD2 LEU 60 -13.055 -1.535 8.573 463 3HD2 LEU 60 3HD2 LEU 60 -12.120 -2.733 7.644 464 H LYS 61 H LYS 61 -8.788 1.785 9.099 465 HA LYS 61 HA LYS 61 -9.569 4.444 9.008 466 1HB LYS 61 2HB LYS 61 -11.560 4.565 10.283 467 2HB LYS 61 1HB LYS 61 -11.868 3.413 9.001 468 1HG LYS 61 2HG LYS 61 -10.852 2.449 11.694 469 2HG LYS 61 1HG LYS 61 -12.553 2.807 11.477 470 1HD LYS 61 2HD LYS 61 -11.706 1.237 9.213 471 2HD LYS 61 1HD LYS 61 -11.097 0.450 10.655 472 1HE LYS 61 2HE LYS 61 -13.211 -0.484 10.660 473 2HE LYS 61 1HE LYS 61 -13.598 0.979 11.544 474 1HZ LYS 61 1HZ LYS 61 -13.975 1.923 9.202 475 2HZ LYS 61 2HZ LYS 61 -14.113 0.361 8.747 476 3HZ LYS 61 3HZ LYS 61 -15.126 0.976 9.869 477 H GLU 62 H GLU 62 -8.900 1.459 10.833 478 HA GLU 62 HA GLU 62 -8.124 2.820 13.172 479 1HB GLU 62 2HB GLU 62 -8.451 0.100 12.294 480 2HB GLU 62 1HB GLU 62 -6.840 0.245 12.971 481 1HG GLU 62 2HG GLU 62 -7.626 0.817 15.104 482 2HG GLU 62 1HG GLU 62 -9.111 1.520 14.491 483 H ILE 63 H ILE 63 -6.828 3.082 10.189 484 HA ILE 63 HA ILE 63 -4.268 2.443 10.068 485 HB ILE 63 HB ILE 63 -4.919 3.676 8.297 486 1HG1 ILE 63 2HG1 ILE 63 -3.743 6.044 9.727 487 2HG1 ILE 63 1HG1 ILE 63 -2.758 4.622 9.442 488 1HG2 ILE 63 1HG2 ILE 63 -5.971 6.108 8.856 489 2HG2 ILE 63 2HG2 ILE 63 -6.931 4.622 8.654 490 3HG2 ILE 63 3HG2 ILE 63 -6.500 5.189 10.285 491 1HD1 ILE 63 1HD1 ILE 63 -3.788 6.628 7.509 492 2HD1 ILE 63 2HD1 ILE 63 -2.338 5.600 7.417 493 3HD1 ILE 63 3HD1 ILE 63 -3.928 4.939 6.965 494 H ASP 64 H ASP 64 -2.358 2.754 11.135 495 HA ASP 64 HA ASP 64 -1.535 4.894 12.470 496 1HB ASP 64 2HB ASP 64 -3.517 3.360 14.087 497 2HB ASP 64 1HB ASP 64 -2.025 3.723 14.930 498 H THR 65 H THR 65 -0.437 2.787 10.984 499 HA THR 65 HA THR 65 1.492 1.621 11.034 500 HB THR 65 HB THR 65 1.419 1.430 14.063 501 HG1 THR 65 1HG THR 65 2.227 3.666 12.339 502 1HG2 THR 65 1HG2 THR 65 3.825 2.408 12.636 503 2HG2 THR 65 2HG2 THR 65 3.684 1.107 13.841 504 3HG2 THR 65 3HG2 THR 65 3.335 0.774 12.128 505 H LEU 66 H LEU 66 0.257 0.025 9.949 506 HA LEU 66 HA LEU 66 -1.417 -1.786 11.133 507 1HB LEU 66 2HB LEU 66 -0.732 -3.279 9.212 508 2HB LEU 66 1HB LEU 66 -1.390 -1.703 8.817 509 HG LEU 66 HG LEU 66 0.698 -2.639 7.550 510 1HD1 LEU 66 1HD1 LEU 66 1.458 0.069 8.074 511 2HD1 LEU 66 2HD1 LEU 66 0.608 -0.610 6.664 512 3HD1 LEU 66 3HD1 LEU 66 -0.319 -0.042 8.074 513 1HD2 LEU 66 1HD2 LEU 66 2.842 -2.000 8.483 514 2HD2 LEU 66 2HD2 LEU 66 2.051 -1.379 9.952 515 3HD2 LEU 66 3HD2 LEU 66 2.006 -3.121 9.585 516 HA PRO 67 HA PRO 67 1.091 -4.392 13.485 517 1HB PRO 67 2HB PRO 67 -0.304 -6.741 13.433 518 2HB PRO 67 1HB PRO 67 -0.731 -5.395 14.470 519 1HG PRO 67 2HG PRO 67 -2.046 -6.311 11.986 520 2HG PRO 67 1HG PRO 67 -2.680 -5.268 13.243 521 1HD PRO 67 2HD PRO 67 -1.714 -4.457 10.668 522 2HD PRO 67 1HD PRO 67 -2.239 -3.407 11.968 523 H TYR 68 H TYR 68 2.409 -3.963 11.249 524 HA TYR 68 HA TYR 68 2.809 -6.031 9.526 525 1HB TYR 68 2HB TYR 68 3.875 -3.797 9.372 526 2HB TYR 68 1HB TYR 68 4.671 -4.019 10.917 527 HD1 TYR 68 1HD TYR 68 4.492 -6.503 8.141 528 HD2 TYR 68 2HD TYR 68 6.942 -3.748 10.313 529 HE1 TYR 68 1HE TYR 68 6.558 -7.393 6.955 530 HE2 TYR 68 2HE TYR 68 8.998 -4.647 9.119 531 HH TYR 68 HH TYR 68 8.702 -6.891 6.460 532 H LYS 69 H LYS 69 2.756 -8.138 10.350 533 HA LYS 69 HA LYS 69 5.209 -9.039 11.483 534 1HB LYS 69 2HB LYS 69 2.897 -8.540 13.254 535 2HB LYS 69 1HB LYS 69 3.595 -10.139 13.402 536 1HG LYS 69 2HG LYS 69 5.398 -9.319 14.508 537 2HG LYS 69 1HG LYS 69 5.742 -8.189 13.213 538 1HD LYS 69 2HD LYS 69 4.187 -6.541 14.143 539 2HD LYS 69 1HD LYS 69 3.600 -7.688 15.330 540 1HE LYS 69 2HE LYS 69 5.896 -7.790 16.348 541 2HE LYS 69 1HE LYS 69 6.458 -6.613 15.178 542 1HZ LYS 69 1HZ LYS 69 4.559 -6.231 17.357 543 2HZ LYS 69 2HZ LYS 69 5.882 -5.350 16.980 544 3HZ LYS 69 3HZ LYS 69 4.531 -5.224 16.073 545 H ASN 70 H ASN 70 4.778 -11.570 12.103 546 HA ASN 70 HA ASN 70 4.452 -13.522 11.211 547 1HB ASN 70 2HB ASN 70 1.710 -12.266 10.734 548 2HB ASN 70 1HB ASN 70 2.022 -13.937 10.313 549 1HD2 ASN 70 1HD2 ASN 70 1.190 -15.220 11.764 550 2HD2 ASN 70 2HD2 ASN 70 1.269 -15.055 13.486 551 H GLY 71 H GLY 71 5.876 -13.600 9.400 552 1HA GLY 71 2HA GLY 71 4.970 -13.991 6.870 553 2HA GLY 71 1HA GLY 71 5.231 -12.260 6.935 Start of MODEL 20 1 H MET 1 H MET 1 -0.534 20.515 7.623 2 HA MET 1 HA MET 1 -0.518 21.814 9.912 3 1HB MET 1 2HB MET 1 -3.310 20.797 9.312 4 2HB MET 1 1HB MET 1 -2.750 20.680 10.969 5 1HG MET 1 2HG MET 1 -2.230 23.132 10.967 6 2HG MET 1 1HG MET 1 -2.790 23.250 9.310 7 1HE MET 1 1HE MET 1 -4.896 24.954 11.989 8 2HE MET 1 2HE MET 1 -3.727 25.104 10.655 9 3HE MET 1 3HE MET 1 -5.472 25.052 10.308 10 H SER 2 H SER 2 -2.163 18.709 8.945 11 HA SER 2 HA SER 2 0.071 17.317 10.149 12 1HB SER 2 2HB SER 2 -2.693 17.360 11.177 13 2HB SER 2 1HB SER 2 -2.125 15.732 10.863 14 HG SER 2 HG SER 2 -1.453 17.432 12.913 15 H THR 3 H THR 3 -0.105 14.845 9.573 16 HA THR 3 HA THR 3 -1.770 14.088 7.416 17 HB THR 3 HB THR 3 -0.160 15.740 6.297 18 HG1 THR 3 1HG THR 3 -0.123 12.857 5.756 19 1HG2 THR 3 1HG2 THR 3 2.100 14.665 5.745 20 2HG2 THR 3 2HG2 THR 3 1.957 15.256 7.418 21 3HG2 THR 3 3HG2 THR 3 1.795 13.517 7.072 22 H LYS 4 H LYS 4 -1.491 11.866 6.816 23 HA LYS 4 HA LYS 4 0.575 10.387 8.163 24 1HB LYS 4 2HB LYS 4 -2.144 10.593 9.278 25 2HB LYS 4 1HB LYS 4 -1.599 8.945 9.042 26 1HG LYS 4 2HG LYS 4 0.061 9.112 10.636 27 2HG LYS 4 1HG LYS 4 0.444 10.771 10.222 28 1HD LYS 4 2HD LYS 4 -2.259 10.528 11.373 29 2HD LYS 4 1HD LYS 4 -1.031 9.908 12.459 30 1HE LYS 4 2HE LYS 4 -0.294 12.001 12.951 31 2HE LYS 4 1HE LYS 4 -0.112 12.404 11.254 32 1HZ LYS 4 1HZ LYS 4 -2.818 12.329 11.807 33 2HZ LYS 4 2HZ LYS 4 -2.121 13.199 13.000 34 3HZ LYS 4 3HZ LYS 4 -1.907 13.634 11.441 35 H LEU 5 H LEU 5 1.051 8.502 7.060 36 HA LEU 5 HA LEU 5 -0.825 7.188 5.426 37 1HB LEU 5 2HB LEU 5 0.409 7.697 3.251 38 2HB LEU 5 1HB LEU 5 -0.762 8.859 3.848 39 HG LEU 5 HG LEU 5 2.184 9.171 4.421 40 1HD1 LEU 5 1HD1 LEU 5 1.516 10.919 2.325 41 2HD1 LEU 5 2HD1 LEU 5 2.621 9.524 2.274 42 3HD1 LEU 5 3HD1 LEU 5 0.908 9.319 1.837 43 1HD2 LEU 5 1HD2 LEU 5 1.139 10.691 5.760 44 2HD2 LEU 5 2HD2 LEU 5 1.274 11.659 4.272 45 3HD2 LEU 5 3HD2 LEU 5 -0.263 10.858 4.676 46 H TYR 6 H TYR 6 0.637 5.685 3.782 47 HA TYR 6 HA TYR 6 3.135 4.978 5.070 48 1HB TYR 6 2HB TYR 6 0.942 3.850 6.119 49 2HB TYR 6 1HB TYR 6 0.894 2.933 4.626 50 HD1 TYR 6 1HD TYR 6 3.297 1.831 3.992 51 HD2 TYR 6 2HD TYR 6 1.977 2.847 7.932 52 HE1 TYR 6 1HE TYR 6 4.927 0.148 4.981 53 HE2 TYR 6 2HE TYR 6 3.611 1.162 8.908 54 HH TYR 6 HH TYR 6 4.701 -1.063 7.926 55 H GLY 7 H GLY 7 4.483 4.938 3.336 56 1HA GLY 7 2HA GLY 7 5.150 4.704 1.179 57 2HA GLY 7 1HA GLY 7 4.607 3.058 1.437 58 H ASP 8 H ASP 8 2.979 6.277 0.923 59 HA ASP 8 HA ASP 8 0.780 5.235 -0.323 60 1HB ASP 8 2HB ASP 8 1.573 7.720 0.451 61 2HB ASP 8 1HB ASP 8 1.837 7.883 -1.273 62 H VAL 9 H VAL 9 0.187 5.256 -2.674 63 HA VAL 9 HA VAL 9 2.492 4.591 -4.316 64 HB VAL 9 HB VAL 9 -0.489 4.298 -4.735 65 1HG1 VAL 9 1HG1 VAL 9 1.142 4.557 -6.790 66 2HG1 VAL 9 2HG1 VAL 9 1.562 2.872 -6.400 67 3HG1 VAL 9 3HG1 VAL 9 -0.121 3.304 -6.785 68 1HG2 VAL 9 1HG2 VAL 9 0.347 2.843 -2.969 69 2HG2 VAL 9 2HG2 VAL 9 -0.042 1.884 -4.417 70 3HG2 VAL 9 3HG2 VAL 9 1.653 2.264 -4.030 71 H ASN 10 H ASN 10 -0.543 6.578 -4.628 72 HA ASN 10 HA ASN 10 0.952 8.228 -6.496 73 1HB ASN 10 2HB ASN 10 -1.471 9.139 -6.959 74 2HB ASN 10 1HB ASN 10 -1.060 7.546 -7.564 75 1HD2 ASN 10 1HD2 ASN 10 -3.386 7.276 -7.565 76 2HD2 ASN 10 2HD2 ASN 10 -4.202 6.742 -6.132 77 H ASP 11 H ASP 11 0.921 8.195 -3.387 78 HA ASP 11 HA ASP 11 0.830 9.568 -1.706 79 1HB ASP 11 2HB ASP 11 2.307 10.839 -3.460 80 2HB ASP 11 1HB ASP 11 0.923 11.895 -3.662 81 H ASP 12 H ASP 12 -1.695 8.752 -2.195 82 HA ASP 12 HA ASP 12 -3.286 11.188 -2.346 83 1HB ASP 12 2HB ASP 12 -4.188 9.847 -4.019 84 2HB ASP 12 1HB ASP 12 -3.710 8.356 -3.233 85 H GLY 13 H GLY 13 -2.501 8.171 -0.583 86 1HA GLY 13 2HA GLY 13 -3.392 9.217 1.904 87 2HA GLY 13 1HA GLY 13 -4.545 8.055 1.278 88 H LYS 14 H LYS 14 -3.277 6.004 0.190 89 HA LYS 14 HA LYS 14 -0.908 5.293 1.639 90 1HB LYS 14 2HB LYS 14 -3.571 4.419 2.572 91 2HB LYS 14 1HB LYS 14 -2.413 3.122 2.358 92 1HG LYS 14 2HG LYS 14 -1.092 3.831 4.099 93 2HG LYS 14 1HG LYS 14 -1.271 5.523 3.681 94 1HD LYS 14 2HD LYS 14 -3.320 3.804 5.155 95 2HD LYS 14 1HD LYS 14 -2.338 5.073 5.858 96 1HE LYS 14 2HE LYS 14 -3.996 6.540 5.359 97 2HE LYS 14 1HE LYS 14 -3.605 6.323 3.664 98 1HZ LYS 14 1HZ LYS 14 -5.143 4.165 4.581 99 2HZ LYS 14 2HZ LYS 14 -5.906 5.565 4.932 100 3HZ LYS 14 3HZ LYS 14 -5.481 5.231 3.391 101 H VAL 15 H VAL 15 -0.880 2.558 1.192 102 HA VAL 15 HA VAL 15 -1.202 2.468 -1.728 103 HB VAL 15 HB VAL 15 1.097 2.453 -1.180 104 1HG1 VAL 15 1HG1 VAL 15 0.211 0.975 1.177 105 2HG1 VAL 15 2HG1 VAL 15 1.638 0.233 0.412 106 3HG1 VAL 15 3HG1 VAL 15 1.685 1.939 0.918 107 1HG2 VAL 15 1HG2 VAL 15 1.463 0.834 -2.667 108 2HG2 VAL 15 2HG2 VAL 15 1.198 -0.403 -1.415 109 3HG2 VAL 15 3HG2 VAL 15 -0.175 0.203 -2.371 110 H ASN 16 H ASN 16 -3.248 1.568 -1.921 111 HA ASN 16 HA ASN 16 -3.389 -1.168 -1.031 112 1HB ASN 16 2HB ASN 16 -5.678 -0.870 -0.095 113 2HB ASN 16 1HB ASN 16 -4.523 0.114 0.783 114 1HD2 ASN 16 1HD2 ASN 16 -4.220 2.365 -0.028 115 2HD2 ASN 16 2HD2 ASN 16 -5.621 3.254 -0.527 116 H SER 17 H SER 17 -6.012 -1.760 -1.839 117 HA SER 17 HA SER 17 -5.859 -2.020 -4.493 118 1HB SER 17 2HB SER 17 -7.544 -3.240 -3.346 119 2HB SER 17 1HB SER 17 -8.239 -1.798 -2.633 120 HG SER 17 HG SER 17 -9.547 -1.648 -4.311 121 H THR 18 H THR 18 -7.052 0.802 -2.635 122 HA THR 18 HA THR 18 -8.351 2.204 -4.614 123 HB THR 18 HB THR 18 -6.612 3.081 -2.254 124 HG1 THR 18 1HG THR 18 -8.650 2.935 -1.260 125 1HG2 THR 18 1HG2 THR 18 -8.825 4.841 -3.128 126 2HG2 THR 18 2HG2 THR 18 -7.171 5.276 -2.637 127 3HG2 THR 18 3HG2 THR 18 -7.498 4.772 -4.313 128 H ASP 19 H ASP 19 -4.824 1.889 -4.020 129 HA ASP 19 HA ASP 19 -4.397 3.607 -6.310 130 1HB ASP 19 2HB ASP 19 -2.622 2.497 -4.110 131 2HB ASP 19 1HB ASP 19 -1.906 3.154 -5.569 132 H ALA 20 H ALA 20 -5.529 0.825 -6.491 133 HA ALA 20 HA ALA 20 -3.579 -1.049 -7.155 134 1HB ALA 20 1HB ALA 20 -6.504 -0.650 -7.806 135 2HB ALA 20 2HB ALA 20 -5.590 -1.994 -8.532 136 3HB ALA 20 3HB ALA 20 -5.741 -1.873 -6.762 137 H VAL 21 H VAL 21 -5.168 1.565 -9.031 138 HA VAL 21 HA VAL 21 -4.612 0.934 -11.570 139 HB VAL 21 HB VAL 21 -4.263 3.570 -10.139 140 1HG1 VAL 21 1HG1 VAL 21 -3.519 4.520 -12.013 141 2HG1 VAL 21 2HG1 VAL 21 -3.445 2.917 -12.783 142 3HG1 VAL 21 3HG1 VAL 21 -4.923 3.900 -12.914 143 1HG2 VAL 21 1HG2 VAL 21 -6.531 2.181 -10.375 144 2HG2 VAL 21 2HG2 VAL 21 -6.490 3.956 -10.494 145 3HG2 VAL 21 3HG2 VAL 21 -6.544 2.966 -11.972 146 H ALA 22 H ALA 22 -2.252 2.658 -9.400 147 HA ALA 22 HA ALA 22 -0.128 2.363 -11.224 148 1HB ALA 22 1HB ALA 22 0.780 3.833 -9.786 149 2HB ALA 22 2HB ALA 22 -0.670 3.671 -8.765 150 3HB ALA 22 3HB ALA 22 0.744 2.628 -8.476 151 H LEU 23 H LEU 23 -1.414 0.393 -8.526 152 HA LEU 23 HA LEU 23 0.747 -1.296 -8.179 153 1HB LEU 23 2HB LEU 23 -1.417 -1.030 -6.842 154 2HB LEU 23 1HB LEU 23 -2.135 -2.142 -7.990 155 HG LEU 23 HG LEU 23 0.364 -3.205 -6.957 156 1HD1 LEU 23 1HD1 LEU 23 -0.529 -1.662 -5.044 157 2HD1 LEU 23 2HD1 LEU 23 -1.718 -2.965 -4.810 158 3HD1 LEU 23 3HD1 LEU 23 0.022 -3.315 -4.680 159 1HD2 LEU 23 1HD2 LEU 23 -1.796 -4.264 -8.071 160 2HD2 LEU 23 2HD2 LEU 23 -0.787 -5.174 -6.922 161 3HD2 LEU 23 3HD2 LEU 23 -2.301 -4.417 -6.372 162 H LYS 24 H LYS 24 -2.196 -1.848 -10.247 163 HA LYS 24 HA LYS 24 -1.442 -4.167 -11.417 164 1HB LYS 24 2HB LYS 24 -3.588 -2.779 -11.672 165 2HB LYS 24 1HB LYS 24 -2.762 -1.931 -12.964 166 1HG LYS 24 2HG LYS 24 -2.979 -3.684 -14.409 167 2HG LYS 24 1HG LYS 24 -2.459 -4.851 -13.209 168 1HD LYS 24 2HD LYS 24 -5.129 -3.745 -12.605 169 2HD LYS 24 1HD LYS 24 -5.076 -4.525 -14.173 170 1HE LYS 24 2HE LYS 24 -4.042 -5.832 -11.613 171 2HE LYS 24 1HE LYS 24 -5.667 -6.066 -12.226 172 1HZ LYS 24 1HZ LYS 24 -3.250 -7.214 -13.125 173 2HZ LYS 24 2HZ LYS 24 -4.787 -7.665 -13.441 174 3HZ LYS 24 3HZ LYS 24 -4.065 -6.526 -14.362 175 H ARG 25 H ARG 25 -0.345 -0.837 -12.234 176 HA ARG 25 HA ARG 25 1.101 -1.687 -14.476 177 1HB ARG 25 2HB ARG 25 0.981 0.822 -12.789 178 2HB ARG 25 1HB ARG 25 2.316 0.648 -13.911 179 1HG ARG 25 2HG ARG 25 0.873 1.539 -15.445 180 2HG ARG 25 1HG ARG 25 0.215 -0.083 -15.532 181 1HD ARG 25 2HD ARG 25 -1.599 0.436 -14.064 182 2HD ARG 25 1HD ARG 25 -0.802 1.862 -13.431 183 HE ARG 25 HE ARG 25 -1.651 3.093 -15.226 184 1HH1 ARG 25 2HH2 ARG 25 -1.736 -0.327 -16.052 185 2HH1 ARG 25 1HH2 ARG 25 -2.589 -0.077 -17.539 186 1HH2 ARG 25 2HH1 ARG 25 -2.776 3.423 -17.187 187 2HH2 ARG 25 1HH1 ARG 25 -3.184 2.070 -18.189 188 H TYR 26 H TYR 26 1.882 -1.090 -11.006 189 HA TYR 26 HA TYR 26 4.665 -1.382 -11.253 190 1HB TYR 26 2HB TYR 26 3.062 -0.468 -9.355 191 2HB TYR 26 1HB TYR 26 2.833 -2.147 -8.906 192 HD1 TYR 26 1HD TYR 26 5.538 0.389 -9.432 193 HD2 TYR 26 2HD TYR 26 4.294 -3.151 -7.377 194 HE1 TYR 26 1HE TYR 26 7.627 0.485 -7.985 195 HE2 TYR 26 2HE TYR 26 6.386 -3.043 -5.938 196 HH TYR 26 HH TYR 26 8.845 -1.931 -6.419 197 H VAL 27 H VAL 27 2.013 -3.713 -10.441 198 HA VAL 27 HA VAL 27 3.703 -5.871 -9.909 199 HB VAL 27 HB VAL 27 0.886 -5.916 -11.004 200 1HG1 VAL 27 1HG1 VAL 27 2.582 -8.023 -10.516 201 2HG1 VAL 27 2HG1 VAL 27 1.703 -7.888 -8.974 202 3HG1 VAL 27 3HG1 VAL 27 0.805 -8.108 -10.495 203 1HG2 VAL 27 1HG2 VAL 27 0.191 -4.899 -9.147 204 2HG2 VAL 27 2HG2 VAL 27 0.905 -6.210 -8.176 205 3HG2 VAL 27 3HG2 VAL 27 1.867 -4.764 -8.565 206 H LEU 28 H LEU 28 1.828 -5.045 -12.916 207 HA LEU 28 HA LEU 28 2.737 -7.073 -14.493 208 1HB LEU 28 2HB LEU 28 1.042 -5.109 -14.860 209 2HB LEU 28 1HB LEU 28 2.414 -4.312 -15.603 210 HG LEU 28 HG LEU 28 1.433 -7.046 -16.453 211 1HD1 LEU 28 1HD1 LEU 28 0.728 -4.349 -17.645 212 2HD1 LEU 28 2HD1 LEU 28 0.307 -5.939 -18.326 213 3HD1 LEU 28 3HD1 LEU 28 -0.373 -5.433 -16.760 214 1HD2 LEU 28 1HD2 LEU 28 2.651 -6.242 -18.604 215 2HD2 LEU 28 2HD2 LEU 28 3.471 -5.106 -17.507 216 3HD2 LEU 28 3HD2 LEU 28 3.604 -6.860 -17.234 217 H ARG 29 H ARG 29 4.367 -3.996 -13.612 218 HA ARG 29 HA ARG 29 6.863 -5.122 -13.962 219 1HB ARG 29 2HB ARG 29 7.628 -3.669 -15.931 220 2HB ARG 29 1HB ARG 29 6.572 -5.002 -16.358 221 1HG ARG 29 2HG ARG 29 5.649 -3.164 -17.541 222 2HG ARG 29 1HG ARG 29 4.611 -3.310 -16.137 223 1HD ARG 29 2HD ARG 29 5.200 -1.246 -15.372 224 2HD ARG 29 1HD ARG 29 6.910 -1.597 -15.531 225 HE ARG 29 HE ARG 29 5.218 -0.218 -17.491 226 1HH1 ARG 29 2HH2 ARG 29 8.206 -2.014 -17.009 227 2HH1 ARG 29 1HH2 ARG 29 8.977 -1.354 -18.413 228 1HH2 ARG 29 2HH1 ARG 29 6.236 0.651 -19.342 229 2HH2 ARG 29 1HH1 ARG 29 7.849 0.171 -19.749 230 H SER 30 H SER 30 8.571 -3.036 -14.224 231 HA SER 30 HA SER 30 7.519 -1.124 -12.296 232 1HB SER 30 2HB SER 30 9.882 -0.746 -11.647 233 2HB SER 30 1HB SER 30 9.431 -2.431 -11.475 234 HG SER 30 HG SER 30 10.365 -2.086 -14.003 235 H GLY 31 H GLY 31 7.018 0.858 -13.151 236 1HA GLY 31 2HA GLY 31 8.863 2.153 -14.961 237 2HA GLY 31 1HA GLY 31 7.332 1.710 -15.690 238 H ILE 32 H ILE 32 5.451 2.105 -13.697 239 HA ILE 32 HA ILE 32 5.124 4.871 -13.755 240 HB ILE 32 HB ILE 32 3.281 4.399 -12.126 241 1HG1 ILE 32 2HG1 ILE 32 3.138 1.585 -12.347 242 2HG1 ILE 32 1HG1 ILE 32 4.765 1.941 -11.804 243 1HG2 ILE 32 1HG2 ILE 32 3.065 4.338 -14.623 244 2HG2 ILE 32 2HG2 ILE 32 3.291 2.575 -14.542 245 3HG2 ILE 32 3HG2 ILE 32 1.890 3.330 -13.745 246 1HD1 ILE 32 1HD1 ILE 32 2.386 1.961 -10.248 247 2HD1 ILE 32 2HD1 ILE 32 4.017 2.454 -9.731 248 3HD1 ILE 32 3HD1 ILE 32 2.891 3.661 -10.397 249 H SER 33 H SER 33 5.237 6.473 -12.083 250 HA SER 33 HA SER 33 7.394 5.899 -10.271 251 1HB SER 33 2HB SER 33 7.479 8.314 -9.920 252 2HB SER 33 1HB SER 33 7.389 7.987 -11.639 253 HG SER 33 HG SER 33 5.750 9.535 -10.188 254 H ILE 34 H ILE 34 7.050 5.333 -8.153 255 HA ILE 34 HA ILE 34 4.781 6.455 -6.762 256 HB ILE 34 HB ILE 34 3.786 4.411 -6.128 257 1HG1 ILE 34 2HG1 ILE 34 5.179 2.469 -7.732 258 2HG1 ILE 34 1HG1 ILE 34 6.329 3.281 -6.688 259 1HG2 ILE 34 1HG2 ILE 34 2.971 3.531 -8.258 260 2HG2 ILE 34 2HG2 ILE 34 3.070 5.308 -8.288 261 3HG2 ILE 34 3HG2 ILE 34 4.310 4.333 -9.113 262 1HD1 ILE 34 1HD1 ILE 34 3.678 2.305 -5.578 263 2HD1 ILE 34 2HD1 ILE 34 5.063 1.200 -5.748 264 3HD1 ILE 34 3HD1 ILE 34 5.195 2.639 -4.707 265 H ASN 35 H ASN 35 4.896 5.790 -4.360 266 HA ASN 35 HA ASN 35 7.690 5.942 -3.661 267 1HB ASN 35 2HB ASN 35 5.422 6.035 -1.646 268 2HB ASN 35 1HB ASN 35 6.963 6.868 -1.593 269 1HD2 ASN 35 1HD2 ASN 35 3.809 6.726 -3.131 270 2HD2 ASN 35 2HD2 ASN 35 3.739 8.364 -3.690 271 H THR 36 H THR 36 7.779 3.507 -4.375 272 HA THR 36 HA THR 36 6.486 1.649 -2.583 273 HB THR 36 HB THR 36 6.952 1.412 -5.147 274 HG1 THR 36 1HG THR 36 7.945 -0.582 -3.235 275 1HG2 THR 36 1HG2 THR 36 9.385 -0.082 -4.684 276 2HG2 THR 36 2HG2 THR 36 9.124 1.256 -5.830 277 3HG2 THR 36 3HG2 THR 36 9.661 1.599 -4.167 278 H ASP 37 H ASP 37 8.604 3.755 -1.702 279 HA ASP 37 HA ASP 37 10.822 2.207 -0.950 280 1HB ASP 37 2HB ASP 37 9.757 4.949 -0.433 281 2HB ASP 37 1HB ASP 37 10.787 4.317 0.834 282 H ASN 38 H ASN 38 7.815 3.421 0.680 283 HA ASN 38 HA ASN 38 8.391 1.541 2.835 284 1HB ASN 38 2HB ASN 38 6.733 3.148 4.130 285 2HB ASN 38 1HB ASN 38 8.402 3.642 3.924 286 1HD2 ASN 38 1HD2 ASN 38 6.037 5.259 4.322 287 2HD2 ASN 38 2HD2 ASN 38 5.902 6.345 2.980 288 H ALA 39 H ALA 39 6.835 1.509 0.093 289 HA ALA 39 HA ALA 39 4.098 1.200 0.949 290 1HB ALA 39 1HB ALA 39 5.063 2.145 -1.306 291 2HB ALA 39 2HB ALA 39 5.185 0.427 -1.757 292 3HB ALA 39 3HB ALA 39 3.604 1.127 -1.333 293 H ASP 40 H ASP 40 6.994 -0.707 0.725 294 HA ASP 40 HA ASP 40 5.361 -3.119 0.799 295 1HB ASP 40 2HB ASP 40 6.871 -3.416 -0.984 296 2HB ASP 40 1HB ASP 40 8.144 -2.506 -0.196 297 H LEU 41 H LEU 41 5.707 -4.585 2.584 298 HA LEU 41 HA LEU 41 7.764 -3.850 4.510 299 1HB LEU 41 2HB LEU 41 4.893 -4.258 5.340 300 2HB LEU 41 1HB LEU 41 6.251 -3.822 6.359 301 HG LEU 41 HG LEU 41 4.894 -1.881 6.021 302 1HD1 LEU 41 1HD1 LEU 41 6.791 -0.734 6.052 303 2HD1 LEU 41 2HD1 LEU 41 7.639 -2.014 5.152 304 3HD1 LEU 41 3HD1 LEU 41 6.775 -0.730 4.273 305 1HD2 LEU 41 1HD2 LEU 41 4.396 -2.963 3.476 306 2HD2 LEU 41 2HD2 LEU 41 3.736 -1.463 4.174 307 3HD2 LEU 41 3HD2 LEU 41 5.219 -1.409 3.191 308 H ASN 42 H ASN 42 7.114 -6.009 2.421 309 HA ASN 42 HA ASN 42 7.714 -8.169 4.216 310 1HB ASN 42 2HB ASN 42 5.772 -9.030 2.156 311 2HB ASN 42 1HB ASN 42 5.810 -9.414 3.865 312 1HD2 ASN 42 1HD2 ASN 42 4.133 -8.756 4.952 313 2HD2 ASN 42 2HD2 ASN 42 3.175 -7.343 4.664 314 H GLU 43 H GLU 43 8.896 -6.412 1.963 315 HA GLU 43 HA GLU 43 10.133 -6.591 0.187 316 1HB GLU 43 2HB GLU 43 10.492 -9.232 1.537 317 2HB GLU 43 1HB GLU 43 11.062 -9.144 -0.117 318 1HG GLU 43 2HG GLU 43 12.392 -7.090 0.467 319 2HG GLU 43 1HG GLU 43 11.847 -7.226 2.128 320 H ASP 44 H ASP 44 7.425 -6.641 -0.406 321 HA ASP 44 HA ASP 44 7.261 -8.700 -2.462 322 1HB ASP 44 2HB ASP 44 4.901 -7.042 -1.542 323 2HB ASP 44 1HB ASP 44 4.897 -8.641 -2.257 324 H GLY 45 H GLY 45 7.077 -5.235 -1.609 325 1HA GLY 45 2HA GLY 45 7.865 -3.692 -3.309 326 2HA GLY 45 1HA GLY 45 6.910 -4.571 -4.487 327 H ARG 46 H ARG 46 4.461 -4.973 -3.228 328 HA ARG 46 HA ARG 46 3.665 -2.392 -2.229 329 1HB ARG 46 2HB ARG 46 2.573 -3.684 -4.767 330 2HB ARG 46 1HB ARG 46 1.636 -2.508 -3.869 331 1HG ARG 46 2HG ARG 46 4.489 -1.825 -4.603 332 2HG ARG 46 1HG ARG 46 3.260 -1.746 -5.851 333 1HD ARG 46 2HD ARG 46 2.931 -0.355 -3.155 334 2HD ARG 46 1HD ARG 46 3.692 0.428 -4.525 335 HE ARG 46 HE ARG 46 0.838 -0.154 -4.211 336 1HH1 ARG 46 2HH2 ARG 46 3.403 0.531 -6.518 337 2HH1 ARG 46 1HH2 ARG 46 2.323 1.118 -7.739 338 1HH2 ARG 46 2HH1 ARG 46 -0.588 0.618 -5.820 339 2HH2 ARG 46 1HH1 ARG 46 0.037 1.167 -7.339 340 H VAL 47 H VAL 47 1.478 -4.821 -3.692 341 HA VAL 47 HA VAL 47 1.038 -6.139 -1.168 342 HB VAL 47 HB VAL 47 -1.442 -5.602 -1.318 343 1HG1 VAL 47 1HG1 VAL 47 -1.222 -3.611 0.042 344 2HG1 VAL 47 2HG1 VAL 47 0.114 -4.725 0.420 345 3HG1 VAL 47 3HG1 VAL 47 0.407 -3.300 -0.606 346 1HG2 VAL 47 1HG2 VAL 47 -2.204 -3.716 -2.496 347 2HG2 VAL 47 2HG2 VAL 47 -0.554 -3.116 -2.789 348 3HG2 VAL 47 3HG2 VAL 47 -1.144 -4.555 -3.655 349 H ASN 48 H ASN 48 1.592 -8.088 -2.153 350 HA ASN 48 HA ASN 48 0.644 -8.753 -4.701 351 1HB ASN 48 2HB ASN 48 1.515 -11.044 -4.131 352 2HB ASN 48 1HB ASN 48 2.682 -9.788 -3.766 353 1HD2 ASN 48 1HD2 ASN 48 3.120 -9.209 -1.650 354 2HD2 ASN 48 2HD2 ASN 48 2.693 -10.191 -0.289 355 H SER 49 H SER 49 -0.249 -9.656 -1.299 356 HA SER 49 HA SER 49 -2.933 -9.787 -1.788 357 1HB SER 49 2HB SER 49 -1.625 -12.085 -2.842 358 2HB SER 49 1HB SER 49 -2.402 -12.621 -1.365 359 HG SER 49 HG SER 49 -4.073 -12.800 -2.749 360 H THR 50 H THR 50 -0.079 -11.083 -0.056 361 HA THR 50 HA THR 50 -1.557 -11.581 2.362 362 HB THR 50 HB THR 50 1.398 -11.605 1.568 363 HG1 THR 50 1HG THR 50 0.554 -13.540 0.888 364 1HG2 THR 50 1HG2 THR 50 0.103 -11.766 4.237 365 2HG2 THR 50 2HG2 THR 50 1.076 -13.201 3.834 366 3HG2 THR 50 3HG2 THR 50 1.827 -11.587 3.830 367 H ASP 51 H ASP 51 0.391 -8.943 0.962 368 HA ASP 51 HA ASP 51 0.336 -7.562 3.477 369 1HB ASP 51 2HB ASP 51 2.276 -7.512 1.795 370 2HB ASP 51 1HB ASP 51 1.254 -6.548 0.749 371 H LEU 52 H LEU 52 -1.484 -7.872 0.494 372 HA LEU 52 HA LEU 52 -2.579 -5.316 0.296 373 1HB LEU 52 2HB LEU 52 -3.314 -6.251 -1.551 374 2HB LEU 52 1HB LEU 52 -2.801 -7.829 -0.984 375 HG LEU 52 HG LEU 52 -4.987 -8.166 0.101 376 1HD1 LEU 52 1HD1 LEU 52 -6.162 -6.364 0.673 377 2HD1 LEU 52 2HD1 LEU 52 -5.277 -5.323 -0.467 378 3HD1 LEU 52 3HD1 LEU 52 -6.672 -6.275 -1.030 379 1HD2 LEU 52 1HD2 LEU 52 -4.771 -7.634 -2.837 380 2HD2 LEU 52 2HD2 LEU 52 -4.993 -9.168 -1.962 381 3HD2 LEU 52 3HD2 LEU 52 -6.359 -8.040 -2.142 382 H GLY 53 H GLY 53 -3.967 -8.321 1.805 383 1HA GLY 53 2HA GLY 53 -6.249 -7.209 2.867 384 2HA GLY 53 1HA GLY 53 -5.375 -8.571 3.540 385 H ILE 54 H ILE 54 -3.143 -7.794 4.679 386 HA ILE 54 HA ILE 54 -3.818 -6.527 6.983 387 HB ILE 54 HB ILE 54 -1.594 -7.721 5.943 388 1HG1 ILE 54 2HG1 ILE 54 -2.270 -7.936 8.228 389 2HG1 ILE 54 1HG1 ILE 54 -0.615 -7.358 8.202 390 1HG2 ILE 54 1HG2 ILE 54 -0.960 -4.793 6.366 391 2HG2 ILE 54 2HG2 ILE 54 0.264 -6.086 6.372 392 3HG2 ILE 54 3HG2 ILE 54 -0.695 -5.774 4.905 393 1HD1 ILE 54 1HD1 ILE 54 -1.808 -4.955 8.266 394 2HD1 ILE 54 2HD1 ILE 54 -3.129 -5.902 8.991 395 3HD1 ILE 54 3HD1 ILE 54 -1.522 -5.885 9.756 396 H LEU 55 H LEU 55 -2.685 -5.080 3.897 397 HA LEU 55 HA LEU 55 -2.399 -2.478 4.932 398 1HB LEU 55 2HB LEU 55 -2.462 -3.780 2.270 399 2HB LEU 55 1HB LEU 55 -2.836 -2.069 2.310 400 HG LEU 55 HG LEU 55 -0.349 -3.054 2.032 401 1HD1 LEU 55 1HD1 LEU 55 -0.168 -0.614 3.580 402 2HD1 LEU 55 2HD1 LEU 55 0.109 -0.888 1.842 403 3HD1 LEU 55 3HD1 LEU 55 -1.533 -0.550 2.439 404 1HD2 LEU 55 1HD2 LEU 55 0.823 -3.446 3.918 405 2HD2 LEU 55 2HD2 LEU 55 -0.081 -2.242 4.867 406 3HD2 LEU 55 3HD2 LEU 55 -0.781 -3.852 4.574 407 H LYS 56 H LYS 56 -5.038 -4.009 2.953 408 HA LYS 56 HA LYS 56 -6.743 -1.776 3.290 409 1HB LYS 56 2HB LYS 56 -6.640 -4.039 1.662 410 2HB LYS 56 1HB LYS 56 -8.069 -4.296 2.644 411 1HG LYS 56 2HG LYS 56 -7.613 -1.564 1.427 412 2HG LYS 56 1HG LYS 56 -8.194 -2.858 0.397 413 1HD LYS 56 2HD LYS 56 -10.143 -3.220 1.842 414 2HD LYS 56 1HD LYS 56 -9.524 -2.098 3.038 415 1HE LYS 56 2HE LYS 56 -11.027 -0.720 1.890 416 2HE LYS 56 1HE LYS 56 -9.541 -0.360 1.034 417 1HZ LYS 56 1HZ LYS 56 -10.156 -1.919 -0.645 418 2HZ LYS 56 2HZ LYS 56 -11.485 -2.392 0.178 419 3HZ LYS 56 3HZ LYS 56 -11.396 -0.879 -0.432 420 H ARG 57 H ARG 57 -5.558 -3.842 5.571 421 HA ARG 57 HA ARG 57 -8.071 -4.219 6.920 422 1HB ARG 57 2HB ARG 57 -5.322 -5.341 7.110 423 2HB ARG 57 1HB ARG 57 -6.079 -5.085 8.670 424 1HG ARG 57 2HG ARG 57 -8.004 -6.264 6.821 425 2HG ARG 57 1HG ARG 57 -6.542 -7.230 6.848 426 1HD ARG 57 2HD ARG 57 -6.740 -6.956 9.488 427 2HD ARG 57 1HD ARG 57 -8.412 -6.567 9.140 428 HE ARG 57 HE ARG 57 -7.698 -8.946 7.703 429 1HH1 ARG 57 2HH2 ARG 57 -8.310 -7.836 10.985 430 2HH1 ARG 57 1HH2 ARG 57 -8.831 -9.390 11.549 431 1HH2 ARG 57 2HH1 ARG 57 -8.386 -10.993 8.445 432 2HH2 ARG 57 1HH1 ARG 57 -8.874 -11.197 10.095 433 H TYR 58 H TYR 58 -4.809 -2.722 7.533 434 HA TYR 58 HA TYR 58 -5.789 -1.350 9.860 435 1HB TYR 58 2HB TYR 58 -3.469 -0.997 10.128 436 2HB TYR 58 1HB TYR 58 -3.376 -2.310 8.972 437 HD1 TYR 58 1HD TYR 58 -2.065 -2.018 7.075 438 HD2 TYR 58 2HD TYR 58 -3.683 1.432 9.021 439 HE1 TYR 58 1HE TYR 58 -0.793 -0.509 5.473 440 HE2 TYR 58 2HE TYR 58 -2.404 2.929 7.412 441 HH TYR 58 HH TYR 58 -0.834 3.001 5.886 442 H ILE 59 H ILE 59 -5.089 -0.608 6.419 443 HA ILE 59 HA ILE 59 -5.247 2.183 6.694 444 HB ILE 59 HB ILE 59 -5.251 2.246 4.344 445 1HG1 ILE 59 2HG1 ILE 59 -5.528 -0.249 3.262 446 2HG1 ILE 59 1HG1 ILE 59 -6.693 -0.327 4.568 447 1HG2 ILE 59 1HG2 ILE 59 -3.119 1.631 4.672 448 2HG2 ILE 59 2HG2 ILE 59 -3.562 0.251 5.705 449 3HG2 ILE 59 3HG2 ILE 59 -3.630 0.094 3.933 450 1HD1 ILE 59 1HD1 ILE 59 -6.563 1.789 2.372 451 2HD1 ILE 59 2HD1 ILE 59 -7.818 0.546 2.593 452 3HD1 ILE 59 3HD1 ILE 59 -7.664 1.873 3.768 453 H LEU 60 H LEU 60 -7.592 -0.255 7.111 454 HA LEU 60 HA LEU 60 -9.828 0.989 5.961 455 1HB LEU 60 2HB LEU 60 -9.347 -1.423 6.976 456 2HB LEU 60 1HB LEU 60 -10.083 -0.707 8.396 457 HG LEU 60 HG LEU 60 -12.062 -0.082 6.945 458 1HD1 LEU 60 1HD1 LEU 60 -10.582 -1.820 4.960 459 2HD1 LEU 60 2HD1 LEU 60 -12.325 -1.469 4.858 460 3HD1 LEU 60 3HD1 LEU 60 -11.143 -0.143 4.756 461 1HD2 LEU 60 1HD2 LEU 60 -11.363 -2.999 7.363 462 2HD2 LEU 60 2HD2 LEU 60 -12.238 -1.918 8.473 463 3HD2 LEU 60 3HD2 LEU 60 -12.984 -2.405 6.932 464 H LYS 61 H LYS 61 -8.253 1.222 9.191 465 HA LYS 61 HA LYS 61 -9.352 3.826 9.537 466 1HB LYS 61 2HB LYS 61 -10.600 3.315 11.623 467 2HB LYS 61 1HB LYS 61 -11.345 2.657 10.181 468 1HG LYS 61 2HG LYS 61 -11.372 0.661 11.273 469 2HG LYS 61 1HG LYS 61 -9.651 0.584 10.957 470 1HD LYS 61 2HD LYS 61 -9.547 0.383 13.253 471 2HD LYS 61 1HD LYS 61 -9.565 2.134 13.175 472 1HE LYS 61 2HE LYS 61 -12.055 2.121 13.449 473 2HE LYS 61 1HE LYS 61 -12.036 0.370 13.528 474 1HZ LYS 61 1HZ LYS 61 -11.098 2.288 15.482 475 2HZ LYS 61 2HZ LYS 61 -11.913 0.890 15.705 476 3HZ LYS 61 3HZ LYS 61 -10.310 0.859 15.395 477 H GLU 62 H GLU 62 -7.632 0.940 10.763 478 HA GLU 62 HA GLU 62 -6.385 2.219 12.886 479 1HB GLU 62 2HB GLU 62 -6.252 -0.349 11.520 480 2HB GLU 62 1HB GLU 62 -4.633 0.199 11.907 481 1HG GLU 62 2HG GLU 62 -4.934 -0.159 14.136 482 2HG GLU 62 1HG GLU 62 -6.470 0.687 14.146 483 H ILE 63 H ILE 63 -6.219 3.043 9.680 484 HA ILE 63 HA ILE 63 -3.897 3.267 8.625 485 HB ILE 63 HB ILE 63 -5.582 4.607 7.757 486 1HG1 ILE 63 2HG1 ILE 63 -3.214 5.511 7.591 487 2HG1 ILE 63 1HG1 ILE 63 -4.513 6.640 7.263 488 1HG2 ILE 63 1HG2 ILE 63 -5.868 5.566 10.535 489 2HG2 ILE 63 2HG2 ILE 63 -6.127 6.794 9.273 490 3HG2 ILE 63 3HG2 ILE 63 -7.093 5.299 9.271 491 1HD1 ILE 63 1HD1 ILE 63 -3.970 6.688 10.104 492 2HD1 ILE 63 2HD1 ILE 63 -2.438 6.876 9.217 493 3HD1 ILE 63 3HD1 ILE 63 -3.784 8.000 8.916 494 H ASP 64 H ASP 64 -1.789 3.737 9.052 495 HA ASP 64 HA ASP 64 -0.111 4.873 10.000 496 1HB ASP 64 2HB ASP 64 -1.961 6.420 11.076 497 2HB ASP 64 1HB ASP 64 -1.742 5.423 12.501 498 H THR 65 H THR 65 -2.400 3.178 12.265 499 HA THR 65 HA THR 65 -0.491 2.112 13.985 500 HB THR 65 HB THR 65 -3.238 1.058 13.124 501 HG1 THR 65 1HG THR 65 -3.340 3.206 13.963 502 1HG2 THR 65 1HG2 THR 65 -1.559 0.640 15.653 503 2HG2 THR 65 2HG2 THR 65 -3.278 0.203 15.504 504 3HG2 THR 65 3HG2 THR 65 -2.060 -0.624 14.504 505 H LEU 66 H LEU 66 -2.219 0.290 11.362 506 HA LEU 66 HA LEU 66 -1.605 -1.496 10.214 507 1HB LEU 66 2HB LEU 66 -0.197 0.194 9.156 508 2HB LEU 66 1HB LEU 66 1.090 -0.136 10.298 509 HG LEU 66 HG LEU 66 0.162 -2.514 8.824 510 1HD1 LEU 66 1HD1 LEU 66 0.152 -1.689 6.766 511 2HD1 LEU 66 2HD1 LEU 66 0.618 -0.076 7.357 512 3HD1 LEU 66 3HD1 LEU 66 1.872 -1.276 6.963 513 1HD2 LEU 66 1HD2 LEU 66 2.981 -1.547 8.802 514 2HD2 LEU 66 2HD2 LEU 66 2.273 -2.013 10.368 515 3HD2 LEU 66 3HD2 LEU 66 2.326 -3.187 9.030 516 HA PRO 67 HA PRO 67 -0.191 -3.841 13.731 517 1HB PRO 67 2HB PRO 67 -2.099 -5.792 13.592 518 2HB PRO 67 1HB PRO 67 -2.282 -4.338 14.555 519 1HG PRO 67 2HG PRO 67 -3.551 -5.024 11.974 520 2HG PRO 67 1HG PRO 67 -4.025 -3.806 13.141 521 1HD PRO 67 2HD PRO 67 -2.665 -3.362 10.656 522 2HD PRO 67 1HD PRO 67 -3.037 -2.161 11.875 523 H TYR 68 H TYR 68 1.473 -3.867 11.767 524 HA TYR 68 HA TYR 68 1.616 -5.836 9.979 525 1HB TYR 68 2HB TYR 68 4.134 -5.784 10.596 526 2HB TYR 68 1HB TYR 68 3.414 -4.203 10.364 527 HD1 TYR 68 1HD TYR 68 3.192 -2.644 12.195 528 HD2 TYR 68 2HD TYR 68 4.653 -6.606 12.888 529 HE1 TYR 68 1HE TYR 68 3.966 -1.960 14.518 530 HE2 TYR 68 2HE TYR 68 5.422 -5.909 15.209 531 HH TYR 68 HH TYR 68 4.366 -3.167 16.708 532 H LYS 69 H LYS 69 1.807 -8.043 9.859 533 HA LYS 69 HA LYS 69 2.052 -9.426 12.440 534 1HB LYS 69 2HB LYS 69 0.469 -10.109 9.954 535 2HB LYS 69 1HB LYS 69 0.810 -11.285 11.207 536 1HG LYS 69 2HG LYS 69 -0.464 -10.125 12.837 537 2HG LYS 69 1HG LYS 69 -0.368 -8.602 11.975 538 1HD LYS 69 2HD LYS 69 -2.599 -9.360 11.605 539 2HD LYS 69 1HD LYS 69 -1.760 -9.715 10.108 540 1HE LYS 69 2HE LYS 69 -1.380 -12.077 10.916 541 2HE LYS 69 1HE LYS 69 -2.298 -11.708 12.362 542 1HZ LYS 69 1HZ LYS 69 -3.536 -11.123 9.810 543 2HZ LYS 69 2HZ LYS 69 -3.422 -12.692 10.250 544 3HZ LYS 69 3HZ LYS 69 -4.218 -11.632 11.204 545 H ASN 70 H ASN 70 3.105 -11.626 12.288 546 HA ASN 70 HA ASN 70 5.486 -11.295 10.738 547 1HB ASN 70 2HB ASN 70 5.260 -12.182 13.208 548 2HB ASN 70 1HB ASN 70 4.789 -13.703 12.475 549 1HD2 ASN 70 1HD2 ASN 70 7.335 -11.502 13.162 550 2HD2 ASN 70 2HD2 ASN 70 8.666 -12.422 12.544 551 H GLY 71 H GLY 71 5.991 -12.529 8.878 552 1HA GLY 71 2HA GLY 71 4.447 -14.932 8.292 553 2HA GLY 71 1HA GLY 71 4.247 -13.585 7.189
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