NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12758 | 1tk7 | 6262 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 -31.520 1.899 3.622 2 2H GLY 1 2H GLY 1 -30.804 0.670 2.703 3 3H GLY 1 3H GLY 1 -32.453 1.023 2.506 4 1HA GLY 1 2HA GLY 1 -31.358 1.984 0.666 5 2HA GLY 1 1HA GLY 1 -31.812 3.291 1.751 6 H SER 2 H SER 2 -29.098 0.981 1.543 7 HA SER 2 HA SER 2 -27.228 2.917 2.510 8 1HB SER 2 2HB SER 2 -26.796 0.218 1.206 9 2HB SER 2 3HB SER 2 -25.542 1.172 2.002 10 HG SER 2 HG SER 2 -26.954 1.092 3.906 11 HA PRO 3 HA PRO 3 -26.409 4.924 -1.370 12 1HB PRO 3 2HB PRO 3 -24.088 6.151 -0.643 13 2HB PRO 3 3HB PRO 3 -25.684 6.735 -0.163 14 1HG PRO 3 2HG PRO 3 -23.717 5.110 1.393 15 2HG PRO 3 3HG PRO 3 -24.726 6.465 1.932 16 1HD PRO 3 2HD PRO 3 -25.354 3.883 2.447 17 2HD PRO 3 3HD PRO 3 -26.591 5.134 2.200 18 H GLU 4 H GLU 4 -25.165 4.534 -3.170 19 HA GLU 4 HA GLU 4 -23.465 2.187 -3.091 20 1HB GLU 4 2HB GLU 4 -24.323 3.999 -5.350 21 2HB GLU 4 3HB GLU 4 -23.316 2.575 -5.565 22 1HG GLU 4 2HG GLU 4 -26.077 2.518 -4.379 23 2HG GLU 4 3HG GLU 4 -25.727 2.244 -6.083 24 H PHE 5 H PHE 5 -22.429 4.266 -1.585 25 HA PHE 5 HA PHE 5 -19.829 4.642 -2.767 26 1HB PHE 5 2HB PHE 5 -21.417 6.532 -3.603 27 2HB PHE 5 3HB PHE 5 -21.338 7.125 -1.950 28 HD1 PHE 5 HD1 PHE 5 -20.187 9.127 -2.149 29 HD2 PHE 5 HD2 PHE 5 -18.625 5.631 -4.001 30 HE1 PHE 5 HE1 PHE 5 -18.132 10.351 -2.712 31 HE2 PHE 5 HE2 PHE 5 -16.565 6.849 -4.564 32 HZ PHE 5 HZ PHE 5 -16.312 9.210 -3.919 33 H HIS 6 H HIS 6 -18.354 5.618 -1.142 34 HA HIS 6 HA HIS 6 -17.454 5.716 0.937 35 1HB HIS 6 2HB HIS 6 -20.326 6.136 1.804 36 2HB HIS 6 3HB HIS 6 -18.929 6.318 2.856 37 HD1 HIS 6 HD1 HIS 6 -17.266 8.334 2.223 38 HD2 HIS 6 HD2 HIS 6 -20.973 8.334 0.342 39 HE1 HIS 6 HE1 HIS 6 -17.534 10.635 1.251 40 HE2 HIS 6 HE2 HIS 6 -19.842 10.660 0.247 41 H MET 7 H MET 7 -18.265 3.144 -0.217 42 HA MET 7 HA MET 7 -19.343 1.492 1.826 43 1HB MET 7 2HB MET 7 -19.390 0.831 -0.533 44 2HB MET 7 3HB MET 7 -17.634 0.774 -0.566 45 1HG MET 7 2HG MET 7 -18.462 -1.454 -0.399 46 2HG MET 7 3HG MET 7 -17.710 -1.023 1.137 47 1HE MET 7 1HE MET 7 -20.826 -0.314 -0.699 48 2HE MET 7 2HE MET 7 -21.624 -1.849 -0.357 49 3HE MET 7 3HE MET 7 -22.114 -0.389 0.500 50 H ASP 8 H ASP 8 -16.049 2.062 0.671 51 HA ASP 8 HA ASP 8 -15.045 1.285 3.316 52 1HB ASP 8 2HB ASP 8 -13.765 0.511 0.676 53 2HB ASP 8 3HB ASP 8 -13.075 0.224 2.268 54 H ALA 9 H ALA 9 -15.605 3.760 2.863 55 HA ALA 9 HA ALA 9 -13.544 5.231 1.488 56 1HB ALA 9 1HB ALA 9 -16.161 5.770 2.497 57 2HB ALA 9 2HB ALA 9 -15.036 6.990 3.093 58 3HB ALA 9 3HB ALA 9 -15.191 6.705 1.360 59 H LEU 10 H LEU 10 -12.723 3.554 3.750 60 HA LEU 10 HA LEU 10 -11.775 5.528 5.686 61 1HB LEU 10 2HB LEU 10 -10.987 3.714 7.014 62 2HB LEU 10 3HB LEU 10 -12.598 3.303 6.473 63 HG LEU 10 HG LEU 10 -10.220 2.258 4.983 64 1HD1 LEU 10 1HD1 LEU 10 -9.550 1.349 6.943 65 2HD1 LEU 10 2HD1 LEU 10 -11.142 1.502 7.685 66 3HD1 LEU 10 3HD1 LEU 10 -10.817 0.182 6.562 67 1HD2 LEU 10 1HD2 LEU 10 -12.665 2.083 4.211 68 2HD2 LEU 10 2HD2 LEU 10 -11.691 0.614 4.215 69 3HD2 LEU 10 3HD2 LEU 10 -12.847 0.909 5.514 70 H GLY 11 H GLY 11 -10.704 3.370 3.158 71 1HA GLY 11 1HA GLY 11 -7.916 3.797 3.454 72 2HA GLY 11 2HA GLY 11 -8.716 3.160 2.027 73 HA PRO 12 HA PRO 12 -8.163 6.922 -0.168 74 1HB PRO 12 2HB PRO 12 -10.611 7.880 -0.900 75 2HB PRO 12 3HB PRO 12 -9.845 6.478 -1.653 76 1HG PRO 12 2HG PRO 12 -11.954 6.573 0.463 77 2HG PRO 12 3HG PRO 12 -11.832 5.506 -0.948 78 1HD PRO 12 2HD PRO 12 -11.145 4.700 1.538 79 2HD PRO 12 3HD PRO 12 -10.316 4.107 0.085 80 H LEU 13 H LEU 13 -7.335 8.599 0.836 81 HA LEU 13 HA LEU 13 -7.110 10.561 1.961 82 1HB LEU 13 2HB LEU 13 -10.039 10.703 1.299 83 2HB LEU 13 3HB LEU 13 -9.206 11.995 2.141 84 HG LEU 13 HG LEU 13 -8.356 10.978 -0.567 85 1HD1 LEU 13 1HD1 LEU 13 -9.920 13.488 -0.043 86 2HD1 LEU 13 2HD1 LEU 13 -9.566 12.715 -1.587 87 3HD1 LEU 13 3HD1 LEU 13 -10.698 11.964 -0.464 88 1HD2 LEU 13 1HD2 LEU 13 -6.558 12.200 -0.077 89 2HD2 LEU 13 2HD2 LEU 13 -7.601 13.611 -0.241 90 3HD2 LEU 13 3HD2 LEU 13 -7.322 12.901 1.348 91 HA PRO 14 HA PRO 14 -8.751 8.642 5.909 92 1HB PRO 14 2HB PRO 14 -5.965 8.235 6.636 93 2HB PRO 14 3HB PRO 14 -7.259 7.042 6.501 94 1HG PRO 14 2HG PRO 14 -5.160 7.143 4.786 95 2HG PRO 14 3HG PRO 14 -6.768 6.565 4.314 96 1HD PRO 14 2HD PRO 14 -5.498 9.236 3.833 97 2HD PRO 14 3HD PRO 14 -6.477 8.239 2.734 98 H ASP 15 H ASP 15 -5.895 10.633 5.314 99 HA ASP 15 HA ASP 15 -6.809 12.631 7.192 100 1HB ASP 15 2HB ASP 15 -5.627 11.042 8.663 101 2HB ASP 15 3HB ASP 15 -4.175 11.227 7.682 102 H GLY 16 H GLY 16 -4.193 11.518 5.036 103 1HA GLY 16 1HA GLY 16 -4.046 14.252 4.008 104 2HA GLY 16 2HA GLY 16 -2.555 13.493 4.561 105 H TRP 17 H TRP 17 -2.863 10.961 3.772 106 HA TRP 17 HA TRP 17 -2.093 11.038 1.113 107 1HB TRP 17 2HB TRP 17 -2.979 8.732 2.831 108 2HB TRP 17 3HB TRP 17 -2.508 8.495 1.154 109 HD1 TRP 17 HD1 TRP 17 -1.114 8.545 4.539 110 HE1 TRP 17 HE1 TRP 17 1.448 8.517 4.459 111 HE3 TRP 17 HE3 TRP 17 -0.446 9.701 -0.410 112 HZ2 TRP 17 HZ2 TRP 17 3.494 8.983 2.578 113 HZ3 TRP 17 HZ3 TRP 17 1.861 9.890 -1.253 114 HH2 TRP 17 HH2 TRP 17 3.783 9.541 0.204 115 H GLU 18 H GLU 18 -2.973 10.399 -0.765 116 HA GLU 18 HA GLU 18 -5.825 9.756 -0.879 117 1HB GLU 18 2HB GLU 18 -5.485 12.166 -1.492 118 2HB GLU 18 3HB GLU 18 -4.445 11.637 -2.810 119 1HG GLU 18 2HG GLU 18 -6.270 10.496 -3.869 120 2HG GLU 18 3HG GLU 18 -7.328 10.832 -2.501 121 H LYS 19 H LYS 19 -6.036 7.860 -1.848 122 HA LYS 19 HA LYS 19 -3.846 6.991 -3.598 123 1HB LYS 19 2HB LYS 19 -4.361 4.703 -2.975 124 2HB LYS 19 3HB LYS 19 -4.044 5.687 -1.558 125 1HG LYS 19 2HG LYS 19 -6.470 5.843 -1.158 126 2HG LYS 19 3HG LYS 19 -6.742 4.777 -2.540 127 1HD LYS 19 2HD LYS 19 -5.218 4.110 -0.018 128 2HD LYS 19 3HD LYS 19 -6.801 3.484 -0.489 129 1HE LYS 19 2HE LYS 19 -5.825 2.351 -2.389 130 2HE LYS 19 3HE LYS 19 -4.248 3.056 -2.037 131 1HZ LYS 19 1HZ LYS 19 -3.824 1.497 -0.526 132 2HZ LYS 19 2HZ LYS 19 -5.137 0.643 -1.171 133 3HZ LYS 19 3HZ LYS 19 -5.354 1.631 0.194 134 H LYS 20 H LYS 20 -4.168 6.584 -5.638 135 HA LYS 20 HA LYS 20 -6.891 6.001 -6.598 136 1HB LYS 20 2HB LYS 20 -6.417 8.301 -7.178 137 2HB LYS 20 3HB LYS 20 -4.850 7.856 -7.837 138 1HG LYS 20 2HG LYS 20 -5.907 6.659 -9.647 139 2HG LYS 20 3HG LYS 20 -7.502 6.976 -8.957 140 1HD LYS 20 2HD LYS 20 -7.310 9.307 -9.361 141 2HD LYS 20 3HD LYS 20 -5.594 9.166 -9.746 142 1HE LYS 20 2HE LYS 20 -7.824 7.927 -11.350 143 2HE LYS 20 3HE LYS 20 -7.039 9.457 -11.739 144 1HZ LYS 20 1HZ LYS 20 -6.168 6.808 -12.278 145 2HZ LYS 20 2HZ LYS 20 -4.988 7.659 -11.408 146 3HZ LYS 20 3HZ LYS 20 -5.570 8.275 -12.874 147 H ILE 21 H ILE 21 -6.956 4.078 -7.597 148 HA ILE 21 HA ILE 21 -4.499 2.679 -8.098 149 HB ILE 21 HB ILE 21 -6.287 1.449 -7.085 150 1HG1 ILE 21 2HG1 ILE 21 -5.860 0.524 -9.936 151 2HG1 ILE 21 3HG1 ILE 21 -4.809 0.179 -8.567 152 1HG2 ILE 21 1HG2 ILE 21 -8.401 0.982 -8.235 153 2HG2 ILE 21 2HG2 ILE 21 -8.179 2.707 -7.936 154 3HG2 ILE 21 3HG2 ILE 21 -7.911 2.050 -9.550 155 1HD1 ILE 21 1HD1 ILE 21 -6.646 -1.527 -9.454 156 2HD1 ILE 21 2HD1 ILE 21 -6.163 -1.434 -7.759 157 3HD1 ILE 21 3HD1 ILE 21 -7.636 -0.628 -8.303 158 H GLN 22 H GLN 22 -3.601 2.070 -9.977 159 HA GLN 22 HA GLN 22 -4.768 3.084 -12.473 160 1HB GLN 22 2HB GLN 22 -1.935 2.305 -11.772 161 2HB GLN 22 3HB GLN 22 -2.468 2.665 -13.408 162 1HG GLN 22 2HG GLN 22 -2.563 4.564 -11.076 163 2HG GLN 22 3HG GLN 22 -1.344 4.562 -12.352 164 1HE2 GLN 22 1HE2 GLN 22 -1.711 5.727 -14.110 165 2HE2 GLN 22 2HE2 GLN 22 -3.226 6.467 -14.530 166 H SER 23 H SER 23 -4.827 1.645 -14.283 167 HA SER 23 HA SER 23 -5.928 -0.818 -13.765 168 1HB SER 23 2HB SER 23 -4.550 -0.030 -16.334 169 2HB SER 23 3HB SER 23 -5.854 -1.206 -16.143 170 HG SER 23 HG SER 23 -7.125 0.600 -15.302 171 H ASP 24 H ASP 24 -2.590 -0.118 -13.753 172 HA ASP 24 HA ASP 24 -1.690 -2.787 -14.427 173 1HB ASP 24 2HB ASP 24 -0.223 -0.873 -14.858 174 2HB ASP 24 3HB ASP 24 -0.216 -0.474 -13.143 175 H ASN 25 H ASN 25 -2.984 -1.190 -11.797 176 HA ASN 25 HA ASN 25 -3.712 -1.995 -9.758 177 1HB ASN 25 2HB ASN 25 -3.216 -4.382 -10.525 178 2HB ASN 25 3HB ASN 25 -1.612 -4.168 -9.830 179 1HD2 ASN 25 1HD2 ASN 25 -1.405 -4.881 -7.836 180 2HD2 ASN 25 2HD2 ASN 25 -2.659 -4.987 -6.651 181 H ARG 26 H ARG 26 -1.700 -0.162 -10.604 182 HA ARG 26 HA ARG 26 0.115 -0.106 -8.286 183 1HB ARG 26 2HB ARG 26 1.428 0.211 -10.211 184 2HB ARG 26 3HB ARG 26 0.191 1.167 -11.012 185 1HG ARG 26 2HG ARG 26 0.648 3.048 -9.578 186 2HG ARG 26 3HG ARG 26 1.783 2.089 -8.628 187 1HD ARG 26 2HD ARG 26 2.150 2.539 -11.576 188 2HD ARG 26 3HD ARG 26 2.756 3.681 -10.376 189 HE ARG 26 HE ARG 26 3.627 1.111 -9.677 190 1HH1 ARG 26 2HH1 ARG 26 4.136 3.394 -12.305 191 2HH1 ARG 26 1HH1 ARG 26 5.806 2.943 -12.514 192 1HH2 ARG 26 2HH2 ARG 26 5.805 0.557 -9.957 193 2HH2 ARG 26 1HH2 ARG 26 6.746 1.342 -11.195 194 H VAL 27 H VAL 27 -0.702 1.083 -6.574 195 HA VAL 27 HA VAL 27 -2.731 3.061 -7.222 196 HB VAL 27 HB VAL 27 -1.621 2.280 -4.527 197 1HG1 VAL 27 1HG1 VAL 27 -3.603 4.250 -5.441 198 2HG1 VAL 27 2HG1 VAL 27 -4.119 3.231 -4.094 199 3HG1 VAL 27 3HG1 VAL 27 -2.650 4.203 -3.957 200 1HG2 VAL 27 1HG2 VAL 27 -3.434 0.942 -6.312 201 2HG2 VAL 27 2HG2 VAL 27 -2.807 0.409 -4.752 202 3HG2 VAL 27 3HG2 VAL 27 -4.263 1.401 -4.826 203 H TYR 28 H TYR 28 -2.387 5.211 -7.351 204 HA TYR 28 HA TYR 28 0.317 6.171 -6.739 205 1HB TYR 28 2HB TYR 28 -2.050 7.413 -8.145 206 2HB TYR 28 3HB TYR 28 -0.699 8.390 -7.589 207 HD1 TYR 28 HD1 TYR 28 0.147 9.172 -9.618 208 HD2 TYR 28 HD2 TYR 28 -0.490 4.998 -9.102 209 HE1 TYR 28 HE1 TYR 28 1.331 8.738 -11.728 210 HE2 TYR 28 HE2 TYR 28 0.692 4.554 -11.208 211 HH TYR 28 HH TYR 28 2.335 7.105 -12.978 212 H PHE 29 H PHE 29 0.615 7.820 -5.181 213 HA PHE 29 HA PHE 29 -1.720 8.335 -3.484 214 1HB PHE 29 2HB PHE 29 1.056 7.876 -2.391 215 2HB PHE 29 3HB PHE 29 -0.408 8.185 -1.467 216 HD1 PHE 29 HD1 PHE 29 0.989 5.835 -3.918 217 HD2 PHE 29 HD2 PHE 29 -1.570 6.407 -0.589 218 HE1 PHE 29 HE1 PHE 29 0.584 3.434 -3.850 219 HE2 PHE 29 HE2 PHE 29 -1.986 3.956 -0.516 220 HZ PHE 29 HZ PHE 29 -0.885 2.480 -2.161 221 H VAL 30 H VAL 30 -1.868 10.268 -2.630 222 HA VAL 30 HA VAL 30 0.268 12.185 -3.079 223 HB VAL 30 HB VAL 30 -2.656 12.792 -3.636 224 1HG1 VAL 30 1HG1 VAL 30 -0.200 14.520 -3.935 225 2HG1 VAL 30 2HG1 VAL 30 -1.845 14.974 -4.381 226 3HG1 VAL 30 3HG1 VAL 30 -1.438 14.686 -2.690 227 1HG2 VAL 30 1HG2 VAL 30 -0.749 11.597 -5.326 228 2HG2 VAL 30 2HG2 VAL 30 -2.341 12.219 -5.760 229 3HG2 VAL 30 3HG2 VAL 30 -0.929 13.266 -5.868 230 H ASN 31 H ASN 31 0.797 12.683 -1.034 231 HA ASN 31 HA ASN 31 -1.344 12.980 0.967 232 1HB ASN 31 2HB ASN 31 0.669 11.704 1.680 233 2HB ASN 31 3HB ASN 31 1.664 13.110 1.322 234 1HD2 ASN 31 1HD2 ASN 31 0.287 11.448 3.744 235 2HD2 ASN 31 2HD2 ASN 31 0.141 12.708 4.928 236 H HIS 32 H HIS 32 -2.131 14.985 1.258 237 HA HIS 32 HA HIS 32 -0.807 17.117 -0.162 238 1HB HIS 32 2HB HIS 32 -2.909 18.388 0.252 239 2HB HIS 32 3HB HIS 32 -3.164 16.850 -0.560 240 HD1 HIS 32 HD1 HIS 32 -3.455 18.350 2.936 241 HD2 HIS 32 HD2 HIS 32 -5.048 15.285 0.606 242 HE1 HIS 32 HE1 HIS 32 -5.247 17.277 4.341 243 HE2 HIS 32 HE2 HIS 32 -6.153 15.383 2.945 244 H LYS 33 H LYS 33 -1.020 16.117 3.080 245 HA LYS 33 HA LYS 33 -0.758 18.674 4.326 246 1HB LYS 33 2HB LYS 33 0.071 15.952 5.368 247 2HB LYS 33 3HB LYS 33 -0.139 17.411 6.329 248 1HG LYS 33 2HG LYS 33 -2.517 17.424 5.831 249 2HG LYS 33 3HG LYS 33 -2.323 16.002 4.807 250 1HD LYS 33 2HD LYS 33 -3.173 15.265 6.911 251 2HD LYS 33 3HD LYS 33 -1.484 14.769 6.817 252 1HE LYS 33 2HE LYS 33 -0.823 16.627 8.220 253 2HE LYS 33 3HE LYS 33 -2.478 17.234 8.242 254 1HZ LYS 33 1HZ LYS 33 -1.275 15.250 9.887 255 2HZ LYS 33 2HZ LYS 33 -2.645 14.622 9.110 256 3HZ LYS 33 3HZ LYS 33 -2.772 16.021 10.057 257 H ASN 34 H ASN 34 1.509 16.075 3.547 258 HA ASN 34 HA ASN 34 3.734 17.901 4.009 259 1HB ASN 34 2HB ASN 34 3.725 14.913 3.502 260 2HB ASN 34 3HB ASN 34 5.133 15.867 3.951 261 1HD2 ASN 34 1HD2 ASN 34 5.665 15.635 6.001 262 2HD2 ASN 34 2HD2 ASN 34 4.571 15.375 7.315 263 H ARG 35 H ARG 35 1.904 16.846 1.472 264 HA ARG 35 HA ARG 35 2.020 17.009 -0.780 265 1HB ARG 35 2HB ARG 35 2.752 19.325 -0.287 266 2HB ARG 35 3HB ARG 35 4.424 18.777 -0.285 267 1HG ARG 35 2HG ARG 35 4.246 18.146 -2.621 268 2HG ARG 35 3HG ARG 35 2.547 18.616 -2.635 269 1HD ARG 35 2HD ARG 35 3.223 20.932 -2.093 270 2HD ARG 35 3HD ARG 35 4.913 20.432 -2.183 271 HE ARG 35 HE ARG 35 3.158 21.002 -4.372 272 1HH1 ARG 35 2HH1 ARG 35 6.053 19.272 -3.408 273 2HH1 ARG 35 1HH1 ARG 35 6.547 18.933 -5.045 274 1HH2 ARG 35 2HH2 ARG 35 3.800 20.561 -6.519 275 2HH2 ARG 35 1HH2 ARG 35 5.255 19.654 -6.809 276 H THR 36 H THR 36 2.484 14.839 -1.100 277 HA THR 36 HA THR 36 5.053 14.347 -2.312 278 HB THR 36 HB THR 36 5.657 13.909 -0.012 279 HG1 THR 36 HG1 THR 36 6.542 11.933 -0.364 280 1HG2 THR 36 1HG2 THR 36 3.367 11.948 0.037 281 2HG2 THR 36 2HG2 THR 36 3.437 13.483 0.903 282 3HG2 THR 36 3HG2 THR 36 4.553 12.183 1.320 283 H THR 37 H THR 37 5.054 12.608 -3.702 284 HA THR 37 HA THR 37 2.474 11.226 -4.044 285 HB THR 37 HB THR 37 4.481 11.802 -6.235 286 HG1 THR 37 HG1 THR 37 2.948 13.548 -5.094 287 1HG2 THR 37 1HG2 THR 37 1.885 11.412 -7.246 288 2HG2 THR 37 2HG2 THR 37 2.152 10.127 -6.068 289 3HG2 THR 37 3HG2 THR 37 3.276 10.339 -7.411 290 H GLN 38 H GLN 38 2.595 8.987 -4.405 291 HA GLN 38 HA GLN 38 5.235 7.709 -4.378 292 1HB GLN 38 2HB GLN 38 3.135 7.434 -2.234 293 2HB GLN 38 3HB GLN 38 4.346 6.191 -2.507 294 1HG GLN 38 2HG GLN 38 5.003 9.063 -1.910 295 2HG GLN 38 3HG GLN 38 4.870 7.803 -0.680 296 1HE2 GLN 38 1HE2 GLN 38 6.919 9.402 -2.734 297 2HE2 GLN 38 2HE2 GLN 38 8.258 8.301 -2.699 298 H TRP 39 H TRP 39 5.304 5.925 -5.581 299 HA TRP 39 HA TRP 39 2.901 5.005 -6.838 300 1HB TRP 39 2HB TRP 39 4.582 3.495 -8.089 301 2HB TRP 39 3HB TRP 39 4.652 5.232 -8.352 302 HD1 TRP 39 HD1 TRP 39 6.348 3.005 -5.632 303 HE1 TRP 39 HE1 TRP 39 8.869 3.563 -5.626 304 HE3 TRP 39 HE3 TRP 39 6.426 6.411 -9.445 305 HZ2 TRP 39 HZ2 TRP 39 10.642 5.223 -7.065 306 HZ3 TRP 39 HZ3 TRP 39 8.573 7.433 -10.070 307 HH2 TRP 39 HH2 TRP 39 10.638 6.850 -8.903 308 H GLU 40 H GLU 40 1.960 3.081 -6.792 309 HA GLU 40 HA GLU 40 1.307 0.977 -6.192 310 1HB GLU 40 2HB GLU 40 4.170 0.881 -5.578 311 2HB GLU 40 3HB GLU 40 3.197 -0.194 -4.587 312 1HG GLU 40 2HG GLU 40 3.803 -1.522 -6.367 313 2HG GLU 40 3HG GLU 40 2.186 -0.984 -6.811 314 H ASP 41 H ASP 41 3.173 2.400 -3.589 315 HA ASP 41 HA ASP 41 1.189 2.786 -1.705 316 1HB ASP 41 2HB ASP 41 1.251 0.287 -1.586 317 2HB ASP 41 3HB ASP 41 2.953 0.375 -1.157 318 HA PRO 42 HA PRO 42 4.538 5.438 -0.710 319 1HB PRO 42 2HB PRO 42 3.541 5.824 2.018 320 2HB PRO 42 3HB PRO 42 3.603 6.963 0.671 321 1HG PRO 42 2HG PRO 42 1.285 5.924 1.571 322 2HG PRO 42 3HG PRO 42 1.540 6.333 -0.137 323 1HD PRO 42 2HD PRO 42 1.653 3.654 1.217 324 2HD PRO 42 3HD PRO 42 0.959 4.094 -0.358 325 H ARG 43 H ARG 43 5.928 3.358 -0.621 326 HA ARG 43 HA ARG 43 6.788 2.503 1.974 327 1HB ARG 43 2HB ARG 43 8.616 1.351 0.735 328 2HB ARG 43 3HB ARG 43 6.996 0.937 0.200 329 1HG ARG 43 2HG ARG 43 7.230 2.315 -1.755 330 2HG ARG 43 3HG ARG 43 8.789 2.921 -1.184 331 1HD ARG 43 2HD ARG 43 9.106 1.187 -2.859 332 2HD ARG 43 3HD ARG 43 9.708 0.657 -1.290 333 HE ARG 43 HE ARG 43 6.999 -0.139 -1.947 334 1HH1 ARG 43 2HH1 ARG 43 10.386 -1.002 -1.794 335 2HH1 ARG 43 1HH1 ARG 43 10.089 -2.704 -1.986 336 1HH2 ARG 43 2HH2 ARG 43 6.598 -2.384 -2.150 337 2HH2 ARG 43 1HH2 ARG 43 7.940 -3.492 -2.146 338 H THR 44 H THR 44 6.979 5.169 2.106 339 HA THR 44 HA THR 44 8.369 6.936 2.561 340 HB THR 44 HB THR 44 10.438 4.885 3.311 341 HG1 THR 44 HG1 THR 44 7.842 5.251 4.331 342 1HG2 THR 44 1HG2 THR 44 11.297 6.877 4.007 343 2HG2 THR 44 2HG2 THR 44 10.243 6.579 5.389 344 3HG2 THR 44 3HG2 THR 44 9.715 7.650 4.093 345 H GLN 45 H GLN 45 8.435 6.179 -0.105 346 HA GLN 45 HA GLN 45 9.580 6.281 -2.050 347 1HB GLN 45 2HB GLN 45 11.283 8.086 -2.262 348 2HB GLN 45 3HB GLN 45 9.731 8.600 -1.628 349 1HG GLN 45 2HG GLN 45 10.784 8.428 0.677 350 2HG GLN 45 3HG GLN 45 12.329 8.289 -0.164 351 1HE2 GLN 45 1HE2 GLN 45 10.533 10.147 -2.131 352 2HE2 GLN 45 2HE2 GLN 45 10.961 11.718 -1.540 353 H GLY 46 H GLY 46 12.667 7.114 -1.481 354 1HA GLY 46 1HA GLY 46 13.637 4.505 -2.148 355 2HA GLY 46 2HA GLY 46 14.621 5.921 -1.813 356 H GLN 47 H GLN 47 13.702 6.486 0.755 357 HA GLN 47 HA GLN 47 15.444 5.068 2.336 358 1HB GLN 47 2HB GLN 47 12.907 6.413 3.288 359 2HB GLN 47 3HB GLN 47 14.329 6.068 4.261 360 1HG GLN 47 2HG GLN 47 14.272 7.923 1.894 361 2HG GLN 47 3HG GLN 47 14.174 8.421 3.583 362 1HE2 GLN 47 1HE2 GLN 47 16.203 7.975 1.021 363 2HE2 GLN 47 2HE2 GLN 47 17.713 7.875 1.873 364 H GLU 48 H GLU 48 11.991 4.578 1.985 365 HA GLU 48 HA GLU 48 10.560 2.872 2.596 366 1HB GLU 48 2HB GLU 48 12.163 1.877 0.877 367 2HB GLU 48 3HB GLU 48 12.982 1.110 2.228 368 1HG GLU 48 2HG GLU 48 11.018 -0.150 2.777 369 2HG GLU 48 3HG GLU 48 10.074 0.722 1.569 370 H VAL 49 H VAL 49 10.916 3.978 4.767 371 HA VAL 49 HA VAL 49 11.796 2.056 6.814 372 HB VAL 49 HB VAL 49 12.638 4.957 6.632 373 1HG1 VAL 49 1HG1 VAL 49 13.621 4.823 8.736 374 2HG1 VAL 49 2HG1 VAL 49 12.071 4.011 8.960 375 3HG1 VAL 49 3HG1 VAL 49 13.546 3.060 8.767 376 1HG2 VAL 49 1HG2 VAL 49 14.782 4.260 6.172 377 2HG2 VAL 49 2HG2 VAL 49 14.522 2.657 6.856 378 3HG2 VAL 49 3HG2 VAL 49 13.828 3.069 5.290 379 H SER 50 H SER 50 10.024 5.074 6.224 380 HA SER 50 HA SER 50 9.096 5.429 8.841 381 1HB SER 50 2HB SER 50 9.003 7.051 6.825 382 2HB SER 50 3HB SER 50 7.492 6.236 6.422 383 HG SER 50 HG SER 50 8.134 7.755 8.725 384 H LEU 51 H LEU 51 7.608 3.787 6.069 385 HA LEU 51 HA LEU 51 5.472 2.764 7.770 386 1HB LEU 51 2HB LEU 51 6.044 2.245 4.852 387 2HB LEU 51 3HB LEU 51 4.643 1.659 5.726 388 HG LEU 51 HG LEU 51 5.274 4.439 4.812 389 1HD1 LEU 51 1HD1 LEU 51 3.356 4.266 3.631 390 2HD1 LEU 51 2HD1 LEU 51 3.717 2.544 3.761 391 3HD1 LEU 51 3HD1 LEU 51 2.554 3.286 4.860 392 1HD2 LEU 51 1HD2 LEU 51 3.601 3.677 7.190 393 2HD2 LEU 51 2HD2 LEU 51 4.824 4.942 7.057 394 3HD2 LEU 51 3HD2 LEU 51 3.268 5.129 6.246 395 H ILE 52 H ILE 52 8.425 2.050 7.907 396 HA ILE 52 HA ILE 52 8.132 -0.896 7.853 397 HB ILE 52 HB ILE 52 10.737 0.623 8.040 398 1HG1 ILE 52 2HG1 ILE 52 9.824 1.237 5.906 399 2HG1 ILE 52 3HG1 ILE 52 11.046 -0.003 5.634 400 1HG2 ILE 52 1HG2 ILE 52 11.112 -1.533 8.804 401 2HG2 ILE 52 2HG2 ILE 52 9.978 -2.244 7.652 402 3HG2 ILE 52 3HG2 ILE 52 11.540 -1.642 7.095 403 1HD1 ILE 52 1HD1 ILE 52 8.749 -0.104 4.417 404 2HD1 ILE 52 2HD1 ILE 52 9.527 -1.575 5.003 405 3HD1 ILE 52 3HD1 ILE 52 8.218 -0.842 5.929 406 H ASN 53 H ASN 53 8.420 1.931 9.701 407 HA ASN 53 HA ASN 53 9.893 1.001 11.934 408 1HB ASN 53 2HB ASN 53 9.731 3.384 11.302 409 2HB ASN 53 3HB ASN 53 8.022 3.369 11.727 410 1HD2 ASN 53 1HD2 ASN 53 7.635 4.258 13.608 411 2HD2 ASN 53 2HD2 ASN 53 8.677 4.219 14.995 412 H GLU 54 H GLU 54 6.484 1.008 11.135 413 HA GLU 54 HA GLU 54 6.001 -0.720 13.388 414 1HB GLU 54 2HB GLU 54 4.376 1.805 12.999 415 2HB GLU 54 3HB GLU 54 3.958 0.501 14.096 416 1HG GLU 54 2HG GLU 54 5.992 0.942 15.380 417 2HG GLU 54 3HG GLU 54 6.384 2.269 14.284 418 H GLY 55 H GLY 55 6.032 -0.626 10.362 419 1HA GLY 55 1HA GLY 55 3.197 -1.150 9.836 420 2HA GLY 55 2HA GLY 55 4.386 -0.646 8.648 421 HA PRO 56 HA PRO 56 4.675 -5.384 9.001 422 1HB PRO 56 2HB PRO 56 2.794 -6.697 10.358 423 2HB PRO 56 3HB PRO 56 4.153 -5.945 11.197 424 1HG PRO 56 2HG PRO 56 1.321 -5.051 10.998 425 2HG PRO 56 3HG PRO 56 2.469 -4.872 12.335 426 1HD PRO 56 2HD PRO 56 1.814 -2.923 10.392 427 2HD PRO 56 3HD PRO 56 3.135 -2.842 11.571 428 H LEU 57 H LEU 57 2.949 -3.518 7.458 429 HA LEU 57 HA LEU 57 1.471 -5.486 5.927 430 1HB LEU 57 2HB LEU 57 0.170 -3.165 7.324 431 2HB LEU 57 3HB LEU 57 -0.532 -3.867 5.880 432 HG LEU 57 HG LEU 57 0.036 -5.441 8.394 433 1HD1 LEU 57 1HD1 LEU 57 -2.124 -3.602 7.751 434 2HD1 LEU 57 2HD1 LEU 57 -2.698 -5.226 8.129 435 3HD1 LEU 57 3HD1 LEU 57 -1.695 -4.354 9.288 436 1HD2 LEU 57 1HD2 LEU 57 -0.085 -6.891 6.527 437 2HD2 LEU 57 2HD2 LEU 57 -1.657 -6.977 7.322 438 3HD2 LEU 57 3HD2 LEU 57 -1.461 -6.024 5.850 439 HA PRO 58 HA PRO 58 2.000 -1.720 3.215 440 1HB PRO 58 2HB PRO 58 1.919 0.759 4.196 441 2HB PRO 58 3HB PRO 58 0.504 -0.299 4.244 442 1HG PRO 58 2HG PRO 58 2.237 0.609 6.442 443 2HG PRO 58 3HG PRO 58 0.588 -0.031 6.504 444 1HD PRO 58 2HD PRO 58 3.113 -1.425 6.932 445 2HD PRO 58 3HD PRO 58 1.457 -2.004 7.221 446 HA PRO 59 HA PRO 59 6.557 -0.531 3.969 447 1HB PRO 59 2HB PRO 59 7.609 -2.976 2.990 448 2HB PRO 59 3HB PRO 59 7.651 -2.411 4.658 449 1HG PRO 59 2HG PRO 59 6.261 -4.639 3.723 450 2HG PRO 59 3HG PRO 59 6.004 -3.832 5.279 451 1HD PRO 59 2HD PRO 59 4.474 -3.570 2.727 452 2HD PRO 59 3HD PRO 59 3.888 -3.549 4.405 453 H GLY 60 H GLY 60 4.685 -0.013 1.954 454 1HA GLY 60 1HA GLY 60 4.628 0.580 -0.279 455 2HA GLY 60 2HA GLY 60 6.274 -0.019 -0.451 456 H TRP 61 H TRP 61 3.873 -2.000 0.970 457 HA TRP 61 HA TRP 61 3.701 -3.651 -1.469 458 1HB TRP 61 2HB TRP 61 3.603 -4.380 1.468 459 2HB TRP 61 3HB TRP 61 2.907 -5.431 0.242 460 HD1 TRP 61 HD1 TRP 61 6.334 -3.633 0.486 461 HE1 TRP 61 HE1 TRP 61 8.146 -5.296 -0.123 462 HE3 TRP 61 HE3 TRP 61 3.356 -7.679 -0.256 463 HZ2 TRP 61 HZ2 TRP 61 8.302 -8.134 -0.691 464 HZ3 TRP 61 HZ3 TRP 61 4.374 -9.818 -0.855 465 HH2 TRP 61 HH2 TRP 61 6.805 -10.055 -1.052 466 H GLU 62 H GLU 62 1.523 -4.713 -1.669 467 HA GLU 62 HA GLU 62 -0.543 -3.056 -0.383 468 1HB GLU 62 2HB GLU 62 -0.391 -2.411 -2.714 469 2HB GLU 62 3HB GLU 62 -0.501 -4.093 -3.223 470 1HG GLU 62 2HG GLU 62 -2.764 -4.196 -2.212 471 2HG GLU 62 3HG GLU 62 -2.646 -2.475 -1.865 472 H ILE 63 H ILE 63 -2.303 -4.025 0.360 473 HA ILE 63 HA ILE 63 -2.419 -6.934 0.388 474 HB ILE 63 HB ILE 63 -4.588 -6.600 1.633 475 1HG1 ILE 63 2HG1 ILE 63 -3.645 -3.730 1.867 476 2HG1 ILE 63 3HG1 ILE 63 -4.964 -4.254 0.824 477 1HG2 ILE 63 1HG2 ILE 63 -2.293 -6.995 2.647 478 2HG2 ILE 63 2HG2 ILE 63 -2.289 -5.275 3.039 479 3HG2 ILE 63 3HG2 ILE 63 -3.532 -6.329 3.711 480 1HD1 ILE 63 1HD1 ILE 63 -6.168 -3.611 2.625 481 2HD1 ILE 63 2HD1 ILE 63 -5.844 -5.274 3.108 482 3HD1 ILE 63 3HD1 ILE 63 -4.868 -3.961 3.762 483 H ARG 64 H ARG 64 -3.594 -8.021 -1.070 484 HA ARG 64 HA ARG 64 -5.303 -6.439 -2.867 485 1HB ARG 64 2HB ARG 64 -3.217 -7.540 -3.906 486 2HB ARG 64 3HB ARG 64 -4.018 -9.073 -3.605 487 1HG ARG 64 2HG ARG 64 -5.246 -6.870 -5.243 488 2HG ARG 64 3HG ARG 64 -4.245 -8.149 -5.927 489 1HD ARG 64 2HD ARG 64 -6.851 -8.487 -4.450 490 2HD ARG 64 3HD ARG 64 -6.577 -8.715 -6.177 491 HE ARG 64 HE ARG 64 -6.056 -10.588 -4.090 492 1HH1 ARG 64 2HH1 ARG 64 -5.063 -9.580 -7.298 493 2HH1 ARG 64 1HH1 ARG 64 -4.266 -11.083 -7.662 494 1HH2 ARG 64 2HH2 ARG 64 -5.008 -12.559 -4.568 495 2HH2 ARG 64 1HH2 ARG 64 -4.251 -12.779 -6.113 496 H TYR 65 H TYR 65 -7.372 -6.849 -2.407 497 HA TYR 65 HA TYR 65 -7.987 -9.345 -1.021 498 1HB TYR 65 2HB TYR 65 -10.195 -8.183 -0.540 499 2HB TYR 65 3HB TYR 65 -8.768 -7.466 0.196 500 HD1 TYR 65 HD1 TYR 65 -8.071 -5.255 -0.362 501 HD2 TYR 65 HD2 TYR 65 -11.300 -7.059 -2.462 502 HE1 TYR 65 HE1 TYR 65 -8.661 -3.069 -1.317 503 HE2 TYR 65 HE2 TYR 65 -11.895 -4.878 -3.431 504 HH TYR 65 HH TYR 65 -10.578 -1.936 -2.279 505 H THR 66 H THR 66 -9.154 -10.935 -1.906 506 HA THR 66 HA THR 66 -10.193 -10.529 -4.611 507 HB THR 66 HB THR 66 -10.501 -13.066 -4.478 508 HG1 THR 66 HG1 THR 66 -9.644 -14.124 -2.782 509 1HG2 THR 66 1HG2 THR 66 -7.865 -13.370 -4.541 510 2HG2 THR 66 2HG2 THR 66 -7.909 -11.605 -4.576 511 3HG2 THR 66 3HG2 THR 66 -8.729 -12.534 -5.832 512 H ALA 67 H ALA 67 -12.332 -10.883 -5.051 513 HA ALA 67 HA ALA 67 -14.231 -9.948 -3.511 514 1HB ALA 67 1HB ALA 67 -14.410 -10.774 -5.910 515 2HB ALA 67 2HB ALA 67 -14.949 -12.305 -5.218 516 3HB ALA 67 3HB ALA 67 -15.870 -10.829 -4.922 517 H ALA 68 H ALA 68 -13.171 -13.317 -3.184 518 HA ALA 68 HA ALA 68 -15.266 -14.148 -1.477 519 1HB ALA 68 1HB ALA 68 -12.996 -15.625 -0.771 520 2HB ALA 68 2HB ALA 68 -14.251 -16.074 -1.925 521 3HB ALA 68 3HB ALA 68 -12.802 -15.240 -2.479 522 H GLY 69 H GLY 69 -12.788 -11.967 -0.970 523 1HA GLY 69 1HA GLY 69 -12.695 -10.574 0.924 524 2HA GLY 69 2HA GLY 69 -13.445 -11.846 1.874 525 H GLU 70 H GLU 70 -10.725 -12.534 -0.195 526 HA GLU 70 HA GLU 70 -9.114 -12.985 2.226 527 1HB GLU 70 2HB GLU 70 -9.459 -14.925 0.696 528 2HB GLU 70 3HB GLU 70 -8.622 -14.032 -0.568 529 1HG GLU 70 2HG GLU 70 -7.034 -15.499 0.349 530 2HG GLU 70 3HG GLU 70 -6.649 -13.907 0.999 531 H ARG 71 H ARG 71 -7.353 -11.783 2.616 532 HA ARG 71 HA ARG 71 -6.562 -9.846 0.556 533 1HB ARG 71 2HB ARG 71 -6.037 -9.887 3.535 534 2HB ARG 71 3HB ARG 71 -5.312 -8.723 2.435 535 1HG ARG 71 2HG ARG 71 -7.109 -7.560 3.291 536 2HG ARG 71 3HG ARG 71 -7.749 -8.180 1.768 537 1HD ARG 71 2HD ARG 71 -8.615 -10.151 3.146 538 2HD ARG 71 3HD ARG 71 -8.269 -9.158 4.561 539 HE ARG 71 HE ARG 71 -9.837 -7.729 2.666 540 1HH1 ARG 71 2HH1 ARG 71 -9.991 -10.049 5.286 541 2HH1 ARG 71 1HH1 ARG 71 -11.718 -9.909 5.477 542 1HH2 ARG 71 2HH2 ARG 71 -12.111 -7.545 2.900 543 2HH2 ARG 71 1HH2 ARG 71 -12.915 -8.471 4.131 544 H PHE 72 H PHE 72 -4.663 -10.015 -0.455 545 HA PHE 72 HA PHE 72 -2.704 -11.957 0.558 546 1HB PHE 72 2HB PHE 72 -3.148 -11.088 -2.317 547 2HB PHE 72 3HB PHE 72 -1.914 -12.211 -1.763 548 HD1 PHE 72 HD1 PHE 72 -5.584 -11.744 -2.032 549 HD2 PHE 72 HD2 PHE 72 -2.362 -14.490 -1.598 550 HE1 PHE 72 HE1 PHE 72 -7.140 -13.619 -2.381 551 HE2 PHE 72 HE2 PHE 72 -3.907 -16.369 -1.951 552 HZ PHE 72 HZ PHE 72 -6.300 -15.935 -2.343 553 H PHE 73 H PHE 73 -0.465 -11.276 -0.571 554 HA PHE 73 HA PHE 73 -0.094 -8.408 -0.043 555 1HB PHE 73 2HB PHE 73 1.786 -10.747 0.189 556 2HB PHE 73 3HB PHE 73 2.389 -9.100 0.045 557 HD1 PHE 73 HD1 PHE 73 1.952 -7.462 1.819 558 HD2 PHE 73 HD2 PHE 73 0.830 -11.547 2.212 559 HE1 PHE 73 HE1 PHE 73 1.766 -7.173 4.255 560 HE2 PHE 73 HE2 PHE 73 0.635 -11.263 4.646 561 HZ PHE 73 HZ PHE 73 1.103 -9.074 5.671 562 H VAL 74 H VAL 74 1.208 -7.228 -1.458 563 HA VAL 74 HA VAL 74 1.864 -8.441 -4.048 564 HB VAL 74 HB VAL 74 0.287 -5.869 -3.750 565 1HG1 VAL 74 1HG1 VAL 74 0.519 -5.469 -6.020 566 2HG1 VAL 74 2HG1 VAL 74 2.122 -6.056 -5.581 567 3HG1 VAL 74 3HG1 VAL 74 0.973 -7.135 -6.373 568 1HG2 VAL 74 1HG2 VAL 74 -1.446 -7.299 -3.749 569 2HG2 VAL 74 2HG2 VAL 74 -1.112 -7.442 -5.476 570 3HG2 VAL 74 3HG2 VAL 74 -0.469 -8.640 -4.349 571 H ASP 75 H ASP 75 3.912 -7.978 -4.535 572 HA ASP 75 HA ASP 75 5.077 -5.499 -3.450 573 1HB ASP 75 2HB ASP 75 7.109 -6.541 -3.133 574 2HB ASP 75 3HB ASP 75 6.017 -7.879 -2.815 575 H HIS 76 H HIS 76 6.074 -4.098 -4.860 576 HA HIS 76 HA HIS 76 5.553 -4.651 -7.655 577 1HB HIS 76 2HB HIS 76 5.846 -2.347 -8.121 578 2HB HIS 76 3HB HIS 76 4.936 -2.457 -6.626 579 HD1 HIS 76 HD1 HIS 76 6.090 0.168 -7.083 580 HD2 HIS 76 HD2 HIS 76 8.349 -2.854 -5.322 581 HE1 HIS 76 HE1 HIS 76 7.921 1.333 -5.803 582 HE2 HIS 76 HE2 HIS 76 9.393 -0.516 -4.937 583 H ASN 77 H ASN 77 8.163 -5.150 -5.709 584 HA ASN 77 HA ASN 77 10.300 -4.316 -7.412 585 1HB ASN 77 2HB ASN 77 10.650 -6.585 -5.501 586 2HB ASN 77 3HB ASN 77 11.707 -5.211 -5.814 587 1HD2 ASN 77 1HD2 ASN 77 9.504 -6.563 -3.733 588 2HD2 ASN 77 2HD2 ASN 77 9.184 -5.174 -2.749 589 H THR 78 H THR 78 8.660 -7.339 -6.796 590 HA THR 78 HA THR 78 10.007 -8.538 -9.135 591 HB THR 78 HB THR 78 8.495 -10.189 -7.151 592 HG1 THR 78 HG1 THR 78 9.853 -8.948 -5.836 593 1HG2 THR 78 1HG2 THR 78 11.127 -10.993 -8.206 594 2HG2 THR 78 2HG2 THR 78 9.854 -10.806 -9.413 595 3HG2 THR 78 3HG2 THR 78 9.632 -11.918 -8.061 596 H ARG 79 H ARG 79 7.135 -7.185 -8.123 597 HA ARG 79 HA ARG 79 5.052 -7.015 -9.025 598 1HB ARG 79 2HB ARG 79 6.693 -7.360 -11.207 599 2HB ARG 79 3HB ARG 79 5.550 -8.681 -11.400 600 1HG ARG 79 2HG ARG 79 4.605 -5.883 -10.914 601 2HG ARG 79 3HG ARG 79 5.052 -6.433 -12.529 602 1HD ARG 79 2HD ARG 79 3.413 -8.251 -12.348 603 2HD ARG 79 3HD ARG 79 2.953 -7.664 -10.749 604 HE ARG 79 HE ARG 79 2.690 -5.505 -12.449 605 1HH1 ARG 79 2HH1 ARG 79 1.321 -8.732 -12.292 606 2HH1 ARG 79 1HH1 ARG 79 -0.207 -8.251 -12.972 607 1HH2 ARG 79 2HH2 ARG 79 0.690 -4.872 -13.332 608 2HH2 ARG 79 1HH2 ARG 79 -0.580 -6.048 -13.523 609 H ARG 80 H ARG 80 5.029 -8.626 -7.113 610 HA ARG 80 HA ARG 80 3.895 -11.196 -8.027 611 1HB ARG 80 2HB ARG 80 5.627 -10.652 -5.616 612 2HB ARG 80 3HB ARG 80 4.818 -12.176 -5.934 613 1HG ARG 80 2HG ARG 80 6.155 -12.487 -7.937 614 2HG ARG 80 3HG ARG 80 6.947 -10.930 -7.659 615 1HD ARG 80 2HD ARG 80 7.059 -13.385 -5.912 616 2HD ARG 80 3HD ARG 80 8.385 -12.656 -6.821 617 HE ARG 80 HE ARG 80 7.387 -10.703 -5.092 618 1HH1 ARG 80 2HH1 ARG 80 8.987 -13.814 -4.845 619 2HH1 ARG 80 1HH1 ARG 80 9.749 -13.441 -3.328 620 1HH2 ARG 80 2HH2 ARG 80 8.368 -10.206 -3.133 621 2HH2 ARG 80 1HH2 ARG 80 9.396 -11.367 -2.340 622 H THR 81 H THR 81 2.161 -12.002 -6.976 623 HA THR 81 HA THR 81 1.216 -10.537 -4.622 624 HB THR 81 HB THR 81 -0.462 -10.323 -6.459 625 HG1 THR 81 HG1 THR 81 -0.960 -10.599 -4.097 626 1HG2 THR 81 1HG2 THR 81 -1.563 -12.958 -6.351 627 2HG2 THR 81 2HG2 THR 81 0.119 -13.058 -6.867 628 3HG2 THR 81 3HG2 THR 81 -1.017 -12.045 -7.756 629 H THR 82 H THR 82 0.633 -11.890 -2.877 630 HA THR 82 HA THR 82 1.070 -14.751 -3.025 631 HB THR 82 HB THR 82 3.347 -14.016 -3.168 632 HG1 THR 82 HG1 THR 82 4.072 -14.701 -0.918 633 1HG2 THR 82 1HG2 THR 82 2.460 -11.949 -1.320 634 2HG2 THR 82 2HG2 THR 82 3.813 -11.953 -2.452 635 3HG2 THR 82 3HG2 THR 82 3.998 -12.676 -0.854 636 H PHE 83 H PHE 83 0.695 -15.810 -0.975 637 HA PHE 83 HA PHE 83 -1.399 -14.660 0.483 638 1HB PHE 83 2HB PHE 83 -0.975 -17.105 0.275 639 2HB PHE 83 3HB PHE 83 0.392 -16.934 1.372 640 HD1 PHE 83 HD1 PHE 83 -3.184 -15.843 1.306 641 HD2 PHE 83 HD2 PHE 83 -0.017 -17.647 3.504 642 HE1 PHE 83 HE1 PHE 83 -4.690 -16.133 3.230 643 HE2 PHE 83 HE2 PHE 83 -1.517 -17.942 5.431 644 HZ PHE 83 HZ PHE 83 -3.858 -17.188 5.295 645 H GLU 84 H GLU 84 2.031 -14.986 1.282 646 HA GLU 84 HA GLU 84 1.703 -12.846 3.248 647 1HB GLU 84 2HB GLU 84 3.321 -14.107 4.764 648 2HB GLU 84 3HB GLU 84 1.668 -14.699 4.696 649 1HG GLU 84 2HG GLU 84 2.366 -16.456 3.144 650 2HG GLU 84 3HG GLU 84 4.023 -15.856 3.222 651 H ASP 85 H ASP 85 4.686 -14.175 3.632 652 HA ASP 85 HA ASP 85 6.708 -14.086 2.610 653 1HB ASP 85 2HB ASP 85 5.287 -12.463 0.572 654 2HB ASP 85 3HB ASP 85 7.038 -12.320 0.673 655 HA PRO 86 HA PRO 86 8.125 -9.703 3.362 656 1HB PRO 86 2HB PRO 86 6.412 -7.664 3.948 657 2HB PRO 86 3HB PRO 86 6.958 -8.068 2.318 658 1HG PRO 86 2HG PRO 86 4.380 -8.682 3.664 659 2HG PRO 86 3HG PRO 86 4.701 -8.295 1.965 660 1HD PRO 86 2HD PRO 86 4.235 -10.827 2.913 661 2HD PRO 86 3HD PRO 86 5.151 -10.470 1.438 662 H ARG 87 H ARG 87 5.150 -9.719 5.374 663 HA ARG 87 HA ARG 87 6.729 -10.327 7.705 664 1HB ARG 87 2HB ARG 87 6.796 -7.754 7.283 665 2HB ARG 87 3HB ARG 87 5.131 -7.785 7.851 666 1HG ARG 87 2HG ARG 87 5.953 -8.930 9.917 667 2HG ARG 87 3HG ARG 87 7.594 -8.618 9.355 668 1HD ARG 87 2HD ARG 87 5.481 -6.577 10.018 669 2HD ARG 87 3HD ARG 87 6.938 -6.927 10.940 670 HE ARG 87 HE ARG 87 7.464 -6.096 8.234 671 1HH1 ARG 87 2HH1 ARG 87 6.878 -5.050 11.525 672 2HH1 ARG 87 1HH1 ARG 87 7.603 -3.486 11.303 673 1HH2 ARG 87 2HH2 ARG 87 8.387 -4.020 7.917 674 2HH2 ARG 87 1HH2 ARG 87 8.465 -2.902 9.246 675 HA PRO 88 HA PRO 88 2.817 -12.253 8.547 676 1HB PRO 88 2HB PRO 88 3.382 -13.162 11.038 677 2HB PRO 88 3HB PRO 88 4.025 -13.913 9.574 678 1HG PRO 88 2HG PRO 88 5.345 -12.020 11.472 679 2HG PRO 88 3HG PRO 88 6.012 -13.452 10.667 680 1HD PRO 88 2HD PRO 88 6.469 -10.900 9.815 681 2HD PRO 88 3HD PRO 88 6.464 -12.304 8.732 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -27.151 9.909 5.790 2 2H GLY 1 2H GLY 1 -26.079 11.101 5.244 3 3H GLY 1 3H GLY 1 -26.296 9.677 4.346 4 1HA GLY 1 2HA GLY 1 -28.797 10.496 4.396 5 2HA GLY 1 1HA GLY 1 -27.980 12.049 4.514 6 H SER 2 H SER 2 -28.769 12.632 2.451 7 HA SER 2 HA SER 2 -28.288 11.059 0.149 8 1HB SER 2 2HB SER 2 -28.775 14.037 0.188 9 2HB SER 2 3HB SER 2 -29.175 12.887 -1.092 10 HG SER 2 HG SER 2 -30.970 13.512 0.298 11 HA PRO 3 HA PRO 3 -24.464 13.760 -0.746 12 1HB PRO 3 2HB PRO 3 -23.933 15.696 1.283 13 2HB PRO 3 3HB PRO 3 -24.482 15.995 -0.368 14 1HG PRO 3 2HG PRO 3 -25.967 16.484 1.920 15 2HG PRO 3 3HG PRO 3 -26.635 16.298 0.289 16 1HD PRO 3 2HD PRO 3 -26.485 14.314 2.519 17 2HD PRO 3 3HD PRO 3 -27.780 14.585 1.331 18 H GLU 4 H GLU 4 -24.589 11.495 0.747 19 HA GLU 4 HA GLU 4 -22.040 11.451 2.071 20 1HB GLU 4 2HB GLU 4 -23.581 12.290 3.843 21 2HB GLU 4 3HB GLU 4 -24.552 10.838 3.648 22 1HG GLU 4 2HG GLU 4 -22.627 9.480 4.315 23 2HG GLU 4 3HG GLU 4 -21.689 10.953 4.555 24 H PHE 5 H PHE 5 -21.187 9.436 2.003 25 HA PHE 5 HA PHE 5 -22.688 7.071 1.942 26 1HB PHE 5 2HB PHE 5 -22.123 6.288 -0.342 27 2HB PHE 5 3HB PHE 5 -23.220 7.659 -0.363 28 HD1 PHE 5 HD1 PHE 5 -22.672 9.634 -1.504 29 HD2 PHE 5 HD2 PHE 5 -19.687 6.664 -0.877 30 HE1 PHE 5 HE1 PHE 5 -21.186 10.799 -3.078 31 HE2 PHE 5 HE2 PHE 5 -18.190 7.835 -2.439 32 HZ PHE 5 HZ PHE 5 -18.939 9.902 -3.546 33 H HIS 6 H HIS 6 -21.357 5.306 2.341 34 HA HIS 6 HA HIS 6 -18.686 6.024 3.149 35 1HB HIS 6 2HB HIS 6 -20.136 4.450 4.469 36 2HB HIS 6 3HB HIS 6 -19.946 3.274 3.172 37 HD1 HIS 6 HD1 HIS 6 -17.508 5.405 5.204 38 HD2 HIS 6 HD2 HIS 6 -18.029 1.500 3.860 39 HE1 HIS 6 HE1 HIS 6 -15.500 4.127 6.028 40 HE2 HIS 6 HE2 HIS 6 -15.797 1.779 5.149 41 H MET 7 H MET 7 -16.826 5.519 2.171 42 HA MET 7 HA MET 7 -16.710 3.669 -0.051 43 1HB MET 7 2HB MET 7 -17.527 5.721 -1.129 44 2HB MET 7 3HB MET 7 -16.183 6.625 -0.445 45 1HG MET 7 2HG MET 7 -14.631 5.177 -1.725 46 2HG MET 7 3HG MET 7 -16.029 4.420 -2.485 47 1HE MET 7 1HE MET 7 -13.890 7.968 -2.457 48 2HE MET 7 2HE MET 7 -15.341 8.932 -2.736 49 3HE MET 7 3HE MET 7 -15.228 7.900 -1.310 50 H ASP 8 H ASP 8 -15.078 6.286 1.712 51 HA ASP 8 HA ASP 8 -12.467 5.446 1.169 52 1HB ASP 8 2HB ASP 8 -11.765 7.052 2.741 53 2HB ASP 8 3HB ASP 8 -13.266 7.697 2.088 54 H ALA 9 H ALA 9 -10.914 4.944 3.004 55 HA ALA 9 HA ALA 9 -10.081 3.541 4.588 56 1HB ALA 9 1HB ALA 9 -11.400 3.443 6.366 57 2HB ALA 9 2HB ALA 9 -12.847 3.659 5.382 58 3HB ALA 9 3HB ALA 9 -12.183 2.044 5.633 59 H LEU 10 H LEU 10 -12.943 1.790 3.296 60 HA LEU 10 HA LEU 10 -11.407 -0.550 2.771 61 1HB LEU 10 2HB LEU 10 -13.400 -1.424 1.733 62 2HB LEU 10 3HB LEU 10 -13.824 -0.596 3.213 63 HG LEU 10 HG LEU 10 -14.269 1.404 1.473 64 1HD1 LEU 10 1HD1 LEU 10 -14.949 -1.097 -0.066 65 2HD1 LEU 10 2HD1 LEU 10 -15.335 0.560 -0.528 66 3HD1 LEU 10 3HD1 LEU 10 -13.654 0.028 -0.470 67 1HD2 LEU 10 1HD2 LEU 10 -16.121 1.113 2.678 68 2HD2 LEU 10 2HD2 LEU 10 -16.658 0.054 1.372 69 3HD2 LEU 10 3HD2 LEU 10 -15.875 -0.630 2.797 70 H GLY 11 H GLY 11 -12.545 2.142 0.876 71 1HA GLY 11 1HA GLY 11 -11.074 1.167 -1.473 72 2HA GLY 11 2HA GLY 11 -12.299 2.429 -1.483 73 HA PRO 12 HA PRO 12 -8.701 5.085 -1.793 74 1HB PRO 12 2HB PRO 12 -10.697 7.234 -1.604 75 2HB PRO 12 3HB PRO 12 -9.564 6.867 -2.909 76 1HG PRO 12 2HG PRO 12 -12.212 6.447 -3.155 77 2HG PRO 12 3HG PRO 12 -11.012 5.399 -3.931 78 1HD PRO 12 2HD PRO 12 -12.609 4.937 -1.444 79 2HD PRO 12 3HD PRO 12 -12.181 3.799 -2.738 80 H LEU 13 H LEU 13 -7.522 6.284 -0.377 81 HA LEU 13 HA LEU 13 -6.795 7.122 1.596 82 1HB LEU 13 2HB LEU 13 -9.675 7.990 1.818 83 2HB LEU 13 3HB LEU 13 -8.387 8.556 2.862 84 HG LEU 13 HG LEU 13 -8.520 8.995 -0.125 85 1HD1 LEU 13 1HD1 LEU 13 -9.740 10.391 2.080 86 2HD1 LEU 13 2HD1 LEU 13 -8.597 11.429 1.226 87 3HD1 LEU 13 3HD1 LEU 13 -9.914 10.655 0.345 88 1HD2 LEU 13 1HD2 LEU 13 -6.616 10.056 1.957 89 2HD2 LEU 13 2HD2 LEU 13 -6.235 8.893 0.689 90 3HD2 LEU 13 3HD2 LEU 13 -6.665 10.549 0.264 91 HA PRO 14 HA PRO 14 -8.500 3.411 3.943 92 1HB PRO 14 2HB PRO 14 -5.627 2.764 4.109 93 2HB PRO 14 3HB PRO 14 -6.984 1.733 3.641 94 1HG PRO 14 2HG PRO 14 -5.201 2.608 1.839 95 2HG PRO 14 3HG PRO 14 -6.918 2.424 1.438 96 1HD PRO 14 2HD PRO 14 -5.380 4.910 2.089 97 2HD PRO 14 3HD PRO 14 -6.624 4.646 0.849 98 H ASP 15 H ASP 15 -5.372 5.010 4.498 99 HA ASP 15 HA ASP 15 -6.340 6.121 6.992 100 1HB ASP 15 2HB ASP 15 -5.336 3.834 7.529 101 2HB ASP 15 3HB ASP 15 -3.784 4.505 7.045 102 H GLY 16 H GLY 16 -5.418 6.934 4.300 103 1HA GLY 16 1HA GLY 16 -4.464 9.357 4.508 104 2HA GLY 16 2HA GLY 16 -3.014 8.472 4.963 105 H TRP 17 H TRP 17 -3.667 6.294 3.084 106 HA TRP 17 HA TRP 17 -2.070 7.238 1.002 107 1HB TRP 17 2HB TRP 17 -3.671 4.740 1.397 108 2HB TRP 17 3HB TRP 17 -2.920 5.052 -0.162 109 HD1 TRP 17 HD1 TRP 17 -2.269 3.015 2.599 110 HE1 TRP 17 HE1 TRP 17 0.241 2.632 3.000 111 HE3 TRP 17 HE3 TRP 17 -0.381 6.890 -0.182 112 HZ2 TRP 17 HZ2 TRP 17 2.682 3.803 2.278 113 HZ3 TRP 17 HZ3 TRP 17 2.058 7.180 -0.249 114 HH2 TRP 17 HH2 TRP 17 3.554 5.670 0.949 115 H GLU 18 H GLU 18 -2.431 7.958 -0.959 116 HA GLU 18 HA GLU 18 -5.081 7.758 -2.188 117 1HB GLU 18 2HB GLU 18 -4.809 10.008 -1.193 118 2HB GLU 18 3HB GLU 18 -3.308 10.214 -2.080 119 1HG GLU 18 2HG GLU 18 -4.500 10.184 -4.178 120 2HG GLU 18 3HG GLU 18 -6.017 9.864 -3.336 121 H LYS 19 H LYS 19 -4.649 6.409 -3.801 122 HA LYS 19 HA LYS 19 -2.072 6.670 -5.186 123 1HB LYS 19 2HB LYS 19 -2.460 4.262 -5.835 124 2HB LYS 19 3HB LYS 19 -2.180 4.566 -4.130 125 1HG LYS 19 2HG LYS 19 -3.904 3.084 -4.009 126 2HG LYS 19 3HG LYS 19 -4.808 4.600 -4.030 127 1HD LYS 19 2HD LYS 19 -5.066 4.344 -6.490 128 2HD LYS 19 3HD LYS 19 -4.282 2.768 -6.373 129 1HE LYS 19 2HE LYS 19 -6.051 1.959 -4.935 130 2HE LYS 19 3HE LYS 19 -6.812 3.551 -4.933 131 1HZ LYS 19 1HZ LYS 19 -7.764 1.831 -6.501 132 2HZ LYS 19 2HZ LYS 19 -6.361 2.023 -7.431 133 3HZ LYS 19 3HZ LYS 19 -7.395 3.343 -7.178 134 H LYS 20 H LYS 20 -1.984 7.244 -7.232 135 HA LYS 20 HA LYS 20 -4.442 7.053 -8.847 136 1HB LYS 20 2HB LYS 20 -3.958 9.355 -8.103 137 2HB LYS 20 3HB LYS 20 -2.375 9.255 -8.860 138 1HG LYS 20 2HG LYS 20 -3.920 10.491 -10.254 139 2HG LYS 20 3HG LYS 20 -3.433 8.991 -11.044 140 1HD LYS 20 2HD LYS 20 -5.518 7.936 -10.344 141 2HD LYS 20 3HD LYS 20 -6.005 9.425 -9.529 142 1HE LYS 20 2HE LYS 20 -5.450 9.165 -12.479 143 2HE LYS 20 3HE LYS 20 -7.054 9.142 -11.749 144 1HZ LYS 20 1HZ LYS 20 -6.876 11.324 -12.309 145 2HZ LYS 20 2HZ LYS 20 -5.194 11.382 -12.093 146 3HZ LYS 20 3HZ LYS 20 -6.221 11.397 -10.745 147 H ILE 21 H ILE 21 -4.208 5.827 -10.615 148 HA ILE 21 HA ILE 21 -1.621 4.966 -11.461 149 HB ILE 21 HB ILE 21 -3.503 3.441 -11.584 150 1HG1 ILE 21 2HG1 ILE 21 -2.509 4.147 -14.356 151 2HG1 ILE 21 3HG1 ILE 21 -1.627 3.177 -13.180 152 1HG2 ILE 21 1HG2 ILE 21 -4.935 4.215 -13.853 153 2HG2 ILE 21 2HG2 ILE 21 -5.503 4.193 -12.182 154 3HG2 ILE 21 3HG2 ILE 21 -4.805 5.666 -12.858 155 1HD1 ILE 21 1HD1 ILE 21 -3.122 2.128 -15.122 156 2HD1 ILE 21 2HD1 ILE 21 -2.876 1.339 -13.564 157 3HD1 ILE 21 3HD1 ILE 21 -4.347 2.262 -13.862 158 H GLN 22 H GLN 22 -0.417 5.579 -13.137 159 HA GLN 22 HA GLN 22 -1.252 7.893 -14.738 160 1HB GLN 22 2HB GLN 22 0.839 8.178 -13.450 161 2HB GLN 22 3HB GLN 22 1.502 6.737 -14.200 162 1HG GLN 22 2HG GLN 22 2.431 8.731 -15.199 163 2HG GLN 22 3HG GLN 22 1.465 7.843 -16.374 164 1HE2 GLN 22 1HE2 GLN 22 0.513 9.208 -17.671 165 2HE2 GLN 22 2HE2 GLN 22 -0.296 10.670 -17.202 166 H SER 23 H SER 23 -1.035 7.728 -17.022 167 HA SER 23 HA SER 23 -1.895 5.345 -18.101 168 1HB SER 23 2HB SER 23 -2.121 7.672 -19.061 169 2HB SER 23 3HB SER 23 -0.483 7.489 -19.691 170 HG SER 23 HG SER 23 -1.188 5.745 -20.927 171 H ASP 24 H ASP 24 1.266 5.930 -17.140 172 HA ASP 24 HA ASP 24 2.558 4.225 -19.117 173 1HB ASP 24 2HB ASP 24 3.536 5.517 -16.567 174 2HB ASP 24 3HB ASP 24 4.498 4.334 -17.441 175 H ASN 25 H ASN 25 0.574 3.886 -16.519 176 HA ASN 25 HA ASN 25 -0.286 2.046 -15.490 177 1HB ASN 25 2HB ASN 25 1.088 0.730 -17.407 178 2HB ASN 25 3HB ASN 25 2.000 0.228 -15.986 179 1HD2 ASN 25 1HD2 ASN 25 -0.406 -0.647 -17.949 180 2HD2 ASN 25 2HD2 ASN 25 -1.361 -1.611 -16.872 181 H ARG 26 H ARG 26 1.701 4.049 -14.604 182 HA ARG 26 HA ARG 26 2.900 2.634 -12.317 183 1HB ARG 26 2HB ARG 26 3.434 5.414 -13.397 184 2HB ARG 26 3HB ARG 26 4.199 4.724 -11.975 185 1HG ARG 26 2HG ARG 26 4.427 3.267 -14.551 186 2HG ARG 26 3HG ARG 26 5.386 4.726 -14.312 187 1HD ARG 26 2HD ARG 26 6.729 2.883 -13.644 188 2HD ARG 26 3HD ARG 26 6.227 3.720 -12.179 189 HE ARG 26 HE ARG 26 5.280 1.777 -11.499 190 1HH1 ARG 26 2HH1 ARG 26 5.498 1.699 -15.000 191 2HH1 ARG 26 1HH1 ARG 26 4.795 0.113 -15.134 192 1HH2 ARG 26 2HH2 ARG 26 4.369 -0.309 -11.677 193 2HH2 ARG 26 1HH2 ARG 26 4.137 -1.015 -13.248 194 H VAL 27 H VAL 27 1.832 2.825 -10.398 195 HA VAL 27 HA VAL 27 -0.224 4.896 -10.204 196 HB VAL 27 HB VAL 27 0.350 2.601 -8.337 197 1HG1 VAL 27 1HG1 VAL 27 -1.991 3.115 -7.543 198 2HG1 VAL 27 2HG1 VAL 27 -0.752 4.292 -7.106 199 3HG1 VAL 27 3HG1 VAL 27 -1.863 4.634 -8.433 200 1HG2 VAL 27 1HG2 VAL 27 -0.416 1.566 -10.271 201 2HG2 VAL 27 2HG2 VAL 27 -1.894 1.803 -9.341 202 3HG2 VAL 27 3HG2 VAL 27 -1.505 2.896 -10.670 203 H TYR 28 H TYR 28 0.283 6.817 -9.286 204 HA TYR 28 HA TYR 28 2.651 6.893 -7.626 205 1HB TYR 28 2HB TYR 28 2.544 9.229 -7.652 206 2HB TYR 28 3HB TYR 28 2.009 8.753 -9.247 207 HD1 TYR 28 HD1 TYR 28 0.334 9.402 -5.936 208 HD2 TYR 28 HD2 TYR 28 0.440 10.139 -10.123 209 HE1 TYR 28 HE1 TYR 28 -1.552 10.959 -5.703 210 HE2 TYR 28 HE2 TYR 28 -1.454 11.692 -9.902 211 HH TYR 28 HH TYR 28 -2.749 12.572 -6.721 212 H PHE 29 H PHE 29 2.596 7.671 -5.402 213 HA PHE 29 HA PHE 29 -0.001 7.239 -4.184 214 1HB PHE 29 2HB PHE 29 1.092 6.061 -2.261 215 2HB PHE 29 3HB PHE 29 0.915 5.159 -3.746 216 HD1 PHE 29 HD1 PHE 29 3.031 4.919 -5.220 217 HD2 PHE 29 HD2 PHE 29 3.071 6.125 -1.149 218 HE1 PHE 29 HE1 PHE 29 5.330 4.055 -4.979 219 HE2 PHE 29 HE2 PHE 29 5.361 5.282 -0.912 220 HZ PHE 29 HZ PHE 29 6.485 4.231 -2.832 221 H VAL 30 H VAL 30 -0.483 8.368 -2.423 222 HA VAL 30 HA VAL 30 1.481 10.328 -1.477 223 HB VAL 30 HB VAL 30 -1.387 10.992 -2.210 224 1HG1 VAL 30 1HG1 VAL 30 -0.684 12.253 -0.285 225 2HG1 VAL 30 2HG1 VAL 30 0.823 12.705 -1.081 226 3HG1 VAL 30 3HG1 VAL 30 -0.716 13.318 -1.689 227 1HG2 VAL 30 1HG2 VAL 30 -0.257 12.566 -3.846 228 2HG2 VAL 30 2HG2 VAL 30 1.216 11.637 -3.568 229 3HG2 VAL 30 3HG2 VAL 30 -0.207 10.849 -4.245 230 H ASN 31 H ASN 31 1.592 10.188 0.652 231 HA ASN 31 HA ASN 31 -0.670 8.974 2.084 232 1HB ASN 31 2HB ASN 31 1.539 7.873 2.349 233 2HB ASN 31 3HB ASN 31 2.201 9.378 2.976 234 1HD2 ASN 31 1HD2 ASN 31 0.804 6.470 3.758 235 2HD2 ASN 31 2HD2 ASN 31 0.405 6.802 5.412 236 H HIS 32 H HIS 32 -1.928 10.297 3.237 237 HA HIS 32 HA HIS 32 -1.125 13.060 3.406 238 1HB HIS 32 2HB HIS 32 -3.750 11.731 4.124 239 2HB HIS 32 3HB HIS 32 -3.469 13.465 4.122 240 HD1 HIS 32 HD1 HIS 32 -5.502 13.487 2.407 241 HD2 HIS 32 HD2 HIS 32 -1.996 11.726 1.019 242 HE1 HIS 32 HE1 HIS 32 -5.780 13.296 -0.088 243 HE2 HIS 32 HE2 HIS 32 -3.570 12.428 -0.924 244 H LYS 33 H LYS 33 -0.849 10.444 5.435 245 HA LYS 33 HA LYS 33 -1.403 11.750 7.937 246 1HB LYS 33 2HB LYS 33 -1.458 9.241 7.545 247 2HB LYS 33 3HB LYS 33 0.297 9.292 7.483 248 1HG LYS 33 2HG LYS 33 0.312 10.207 9.782 249 2HG LYS 33 3HG LYS 33 -1.442 10.022 9.830 250 1HD LYS 33 2HD LYS 33 0.550 7.793 9.411 251 2HD LYS 33 3HD LYS 33 -0.289 8.148 10.921 252 1HE LYS 33 2HE LYS 33 -1.658 7.440 8.330 253 2HE LYS 33 3HE LYS 33 -1.292 6.285 9.611 254 1HZ LYS 33 1HZ LYS 33 -3.590 7.134 9.680 255 2HZ LYS 33 2HZ LYS 33 -2.989 8.696 9.968 256 3HZ LYS 33 3HZ LYS 33 -2.720 7.467 11.101 257 H ASN 34 H ASN 34 1.512 10.793 6.166 258 HA ASN 34 HA ASN 34 3.103 12.589 7.857 259 1HB ASN 34 2HB ASN 34 3.723 10.169 7.660 260 2HB ASN 34 3HB ASN 34 4.037 10.423 5.950 261 1HD2 ASN 34 1HD2 ASN 34 5.338 10.431 9.041 262 2HD2 ASN 34 2HD2 ASN 34 6.859 11.177 8.680 263 H ARG 35 H ARG 35 1.603 12.622 4.909 264 HA ARG 35 HA ARG 35 1.673 13.970 3.083 265 1HB ARG 35 2HB ARG 35 3.381 15.566 4.969 266 2HB ARG 35 3HB ARG 35 3.205 16.068 3.297 267 1HG ARG 35 2HG ARG 35 1.658 17.270 4.702 268 2HG ARG 35 3HG ARG 35 0.777 16.209 3.603 269 1HD ARG 35 2HD ARG 35 0.430 14.602 5.366 270 2HD ARG 35 3HD ARG 35 1.433 15.542 6.466 271 HE ARG 35 HE ARG 35 -0.413 16.739 6.988 272 1HH1 ARG 35 2HH1 ARG 35 -0.864 15.552 3.706 273 2HH1 ARG 35 1HH1 ARG 35 -2.478 16.181 3.572 274 1HH2 ARG 35 2HH2 ARG 35 -2.542 17.533 6.819 275 2HH2 ARG 35 1HH2 ARG 35 -3.430 17.302 5.344 276 H THR 36 H THR 36 2.615 12.288 1.898 277 HA THR 36 HA THR 36 5.295 12.902 0.912 278 HB THR 36 HB THR 36 4.639 10.104 1.858 279 HG1 THR 36 HG1 THR 36 5.559 12.290 3.255 280 1HG2 THR 36 1HG2 THR 36 7.421 11.032 1.515 281 2HG2 THR 36 2HG2 THR 36 6.479 10.855 0.034 282 3HG2 THR 36 3HG2 THR 36 6.687 9.478 1.119 283 H THR 37 H THR 37 5.552 12.326 -1.247 284 HA THR 37 HA THR 37 3.425 10.687 -2.428 285 HB THR 37 HB THR 37 3.072 13.071 -3.065 286 HG1 THR 37 HG1 THR 37 2.325 11.574 -4.529 287 1HG2 THR 37 1HG2 THR 37 5.167 13.231 -5.035 288 2HG2 THR 37 2HG2 THR 37 5.845 13.095 -3.411 289 3HG2 THR 37 3HG2 THR 37 4.708 14.391 -3.788 290 H GLN 38 H GLN 38 4.098 9.253 -4.027 291 HA GLN 38 HA GLN 38 6.876 9.156 -4.896 292 1HB GLN 38 2HB GLN 38 5.629 7.026 -3.144 293 2HB GLN 38 3HB GLN 38 7.096 6.782 -4.078 294 1HG GLN 38 2HG GLN 38 8.175 8.591 -2.790 295 2HG GLN 38 3HG GLN 38 6.711 8.732 -1.817 296 1HE2 GLN 38 1HE2 GLN 38 6.640 7.588 -0.021 297 2HE2 GLN 38 2HE2 GLN 38 7.601 6.199 0.348 298 H TRP 39 H TRP 39 7.007 8.184 -6.892 299 HA TRP 39 HA TRP 39 4.496 7.204 -8.015 300 1HB TRP 39 2HB TRP 39 7.080 8.163 -9.172 301 2HB TRP 39 3HB TRP 39 6.018 7.164 -10.157 302 HD1 TRP 39 HD1 TRP 39 5.109 10.142 -7.791 303 HE1 TRP 39 HE1 TRP 39 3.717 11.817 -9.147 304 HE3 TRP 39 HE3 TRP 39 5.264 7.810 -12.335 305 HZ2 TRP 39 HZ2 TRP 39 2.807 12.114 -11.806 306 HZ3 TRP 39 HZ3 TRP 39 4.101 8.855 -14.233 307 HH2 TRP 39 HH2 TRP 39 2.901 10.963 -13.972 308 H GLU 40 H GLU 40 4.014 5.122 -7.841 309 HA GLU 40 HA GLU 40 5.298 3.087 -9.152 310 1HB GLU 40 2HB GLU 40 7.170 3.428 -7.527 311 2HB GLU 40 3HB GLU 40 6.080 2.942 -6.235 312 1HG GLU 40 2HG GLU 40 7.454 1.083 -6.831 313 2HG GLU 40 3HG GLU 40 5.800 0.756 -7.348 314 H ASP 41 H ASP 41 3.981 3.483 -5.931 315 HA ASP 41 HA ASP 41 1.767 3.103 -5.288 316 1HB ASP 41 2HB ASP 41 0.346 2.002 -6.591 317 2HB ASP 41 3HB ASP 41 1.683 1.592 -7.657 318 HA PRO 42 HA PRO 42 3.331 0.270 -2.211 319 1HB PRO 42 2HB PRO 42 2.256 1.521 -0.126 320 2HB PRO 42 3HB PRO 42 3.513 2.323 -1.078 321 1HG PRO 42 2HG PRO 42 0.606 2.857 -0.971 322 2HG PRO 42 3HG PRO 42 1.936 3.946 -1.390 323 1HD PRO 42 2HD PRO 42 0.218 2.436 -3.148 324 2HD PRO 42 3HD PRO 42 1.484 3.602 -3.589 325 H ARG 43 H ARG 43 0.310 0.426 -3.547 326 HA ARG 43 HA ARG 43 -0.700 -1.929 -2.539 327 1HB ARG 43 2HB ARG 43 -2.558 -1.215 -1.119 328 2HB ARG 43 3HB ARG 43 -1.012 -0.803 -0.397 329 1HG ARG 43 2HG ARG 43 -1.356 1.435 -0.591 330 2HG ARG 43 3HG ARG 43 -2.369 1.270 -2.028 331 1HD ARG 43 2HD ARG 43 -3.661 1.993 -0.072 332 2HD ARG 43 3HD ARG 43 -4.195 0.427 -0.677 333 HE ARG 43 HE ARG 43 -2.273 0.368 1.506 334 1HH1 ARG 43 2HH1 ARG 43 -5.620 0.166 0.502 335 2HH1 ARG 43 1HH1 ARG 43 -6.164 -0.545 1.988 336 1HH2 ARG 43 2HH2 ARG 43 -2.989 -0.575 3.478 337 2HH2 ARG 43 1HH2 ARG 43 -4.667 -0.957 3.688 338 H THR 44 H THR 44 -2.827 -2.371 -3.203 339 HA THR 44 HA THR 44 -4.496 -2.468 -4.741 340 HB THR 44 HB THR 44 -4.663 0.511 -4.338 341 HG1 THR 44 HG1 THR 44 -5.676 0.023 -2.343 342 1HG2 THR 44 1HG2 THR 44 -7.133 -0.198 -4.165 343 2HG2 THR 44 2HG2 THR 44 -6.604 -1.725 -4.869 344 3HG2 THR 44 3HG2 THR 44 -6.384 -0.218 -5.760 345 H GLN 45 H GLN 45 -2.590 -2.824 -6.303 346 HA GLN 45 HA GLN 45 -3.200 -1.121 -8.611 347 1HB GLN 45 2HB GLN 45 -0.890 -0.548 -8.010 348 2HB GLN 45 3HB GLN 45 -0.448 -2.253 -8.032 349 1HG GLN 45 2HG GLN 45 -1.007 -2.356 -10.417 350 2HG GLN 45 3HG GLN 45 -1.411 -0.645 -10.392 351 1HE2 GLN 45 1HE2 GLN 45 1.128 -0.900 -8.354 352 2HE2 GLN 45 2HE2 GLN 45 2.413 -0.599 -9.470 353 H GLY 46 H GLY 46 -3.614 -2.230 -10.478 354 1HA GLY 46 1HA GLY 46 -4.652 -4.780 -10.349 355 2HA GLY 46 2HA GLY 46 -4.109 -4.027 -11.842 356 H GLN 47 H GLN 47 -1.549 -3.987 -11.913 357 HA GLN 47 HA GLN 47 -0.669 -6.542 -12.316 358 1HB GLN 47 2HB GLN 47 1.035 -4.141 -11.626 359 2HB GLN 47 3HB GLN 47 1.624 -5.621 -12.365 360 1HG GLN 47 2HG GLN 47 -0.398 -3.759 -13.587 361 2HG GLN 47 3HG GLN 47 1.320 -3.804 -13.979 362 1HE2 GLN 47 1HE2 GLN 47 1.784 -4.868 -15.739 363 2HE2 GLN 47 2HE2 GLN 47 0.902 -6.207 -16.400 364 H GLU 48 H GLU 48 -0.448 -4.676 -9.336 365 HA GLU 48 HA GLU 48 1.008 -6.879 -8.073 366 1HB GLU 48 2HB GLU 48 0.507 -4.131 -6.922 367 2HB GLU 48 3HB GLU 48 1.645 -5.338 -6.347 368 1HG GLU 48 2HG GLU 48 1.816 -3.688 -8.849 369 2HG GLU 48 3HG GLU 48 2.889 -3.661 -7.452 370 H VAL 49 H VAL 49 -0.368 -5.001 -5.758 371 HA VAL 49 HA VAL 49 -1.883 -7.053 -4.706 372 HB VAL 49 HB VAL 49 -2.184 -4.144 -3.972 373 1HG1 VAL 49 1HG1 VAL 49 -3.777 -5.320 -2.755 374 2HG1 VAL 49 2HG1 VAL 49 -2.741 -6.736 -2.582 375 3HG1 VAL 49 3HG1 VAL 49 -2.396 -5.274 -1.659 376 1HG2 VAL 49 1HG2 VAL 49 -0.352 -5.477 -2.272 377 2HG2 VAL 49 2HG2 VAL 49 0.167 -5.731 -3.941 378 3HG2 VAL 49 3HG2 VAL 49 -0.066 -4.092 -3.328 379 H SER 50 H SER 50 -3.550 -4.006 -4.853 380 HA SER 50 HA SER 50 -5.716 -3.534 -5.172 381 1HB SER 50 2HB SER 50 -5.129 -5.165 -7.603 382 2HB SER 50 3HB SER 50 -6.800 -4.710 -7.263 383 HG SER 50 HG SER 50 -6.066 -3.040 -8.421 384 H LEU 51 H LEU 51 -5.304 -5.187 -3.220 385 HA LEU 51 HA LEU 51 -6.235 -6.749 -1.851 386 1HB LEU 51 2HB LEU 51 -8.728 -6.279 -3.481 387 2HB LEU 51 3HB LEU 51 -8.618 -6.711 -1.783 388 HG LEU 51 HG LEU 51 -7.638 -4.083 -2.916 389 1HD1 LEU 51 1HD1 LEU 51 -9.903 -3.792 -1.211 390 2HD1 LEU 51 2HD1 LEU 51 -9.735 -3.343 -2.910 391 3HD1 LEU 51 3HD1 LEU 51 -10.307 -4.955 -2.475 392 1HD2 LEU 51 1HD2 LEU 51 -7.428 -3.380 -0.660 393 2HD2 LEU 51 2HD2 LEU 51 -8.235 -4.829 -0.056 394 3HD2 LEU 51 3HD2 LEU 51 -6.628 -4.949 -0.775 395 H ILE 52 H ILE 52 -4.741 -7.935 -3.512 396 HA ILE 52 HA ILE 52 -5.478 -9.503 -5.586 397 HB ILE 52 HB ILE 52 -3.724 -10.871 -3.629 398 1HG1 ILE 52 2HG1 ILE 52 -2.673 -8.409 -5.037 399 2HG1 ILE 52 3HG1 ILE 52 -3.345 -8.330 -3.403 400 1HG2 ILE 52 1HG2 ILE 52 -3.354 -11.916 -5.567 401 2HG2 ILE 52 2HG2 ILE 52 -4.036 -10.593 -6.512 402 3HG2 ILE 52 3HG2 ILE 52 -2.357 -10.521 -5.978 403 1HD1 ILE 52 1HD1 ILE 52 -1.166 -8.635 -2.892 404 2HD1 ILE 52 2HD1 ILE 52 -1.657 -10.324 -3.012 405 3HD1 ILE 52 3HD1 ILE 52 -0.832 -9.548 -4.362 406 H ASN 53 H ASN 53 -5.914 -10.246 -2.188 407 HA ASN 53 HA ASN 53 -7.237 -11.735 -1.097 408 1HB ASN 53 2HB ASN 53 -8.912 -11.554 -2.923 409 2HB ASN 53 3HB ASN 53 -8.046 -12.798 -3.814 410 1HD2 ASN 53 1HD2 ASN 53 -10.524 -12.180 -1.699 411 2HD2 ASN 53 2HD2 ASN 53 -10.798 -13.796 -1.128 412 H GLU 54 H GLU 54 -5.862 -12.921 -0.047 413 HA GLU 54 HA GLU 54 -4.442 -14.561 0.563 414 1HB GLU 54 2HB GLU 54 -5.756 -15.894 -1.787 415 2HB GLU 54 3HB GLU 54 -4.508 -16.699 -0.847 416 1HG GLU 54 2HG GLU 54 -5.899 -16.342 1.183 417 2HG GLU 54 3HG GLU 54 -7.173 -15.721 0.135 418 H GLY 55 H GLY 55 -3.115 -12.574 -0.589 419 1HA GLY 55 1HA GLY 55 -1.113 -13.968 -2.265 420 2HA GLY 55 2HA GLY 55 -1.443 -12.244 -2.411 421 HA PRO 56 HA PRO 56 2.007 -12.541 0.620 422 1HB PRO 56 2HB PRO 56 3.462 -10.478 -0.318 423 2HB PRO 56 3HB PRO 56 3.542 -12.090 -1.036 424 1HG PRO 56 2HG PRO 56 2.098 -9.658 -1.988 425 2HG PRO 56 3HG PRO 56 2.954 -10.895 -2.923 426 1HD PRO 56 2HD PRO 56 0.211 -10.776 -2.594 427 2HD PRO 56 3HD PRO 56 1.118 -12.237 -3.030 428 H LEU 57 H LEU 57 -0.620 -10.930 0.508 429 HA LEU 57 HA LEU 57 -1.634 -9.094 1.433 430 1HB LEU 57 2HB LEU 57 -0.689 -10.918 3.280 431 2HB LEU 57 3HB LEU 57 -0.223 -9.368 3.954 432 HG LEU 57 HG LEU 57 -3.031 -10.163 3.175 433 1HD1 LEU 57 1HD1 LEU 57 -3.201 -9.745 5.779 434 2HD1 LEU 57 2HD1 LEU 57 -2.770 -11.320 5.108 435 3HD1 LEU 57 3HD1 LEU 57 -1.510 -10.244 5.716 436 1HD2 LEU 57 1HD2 LEU 57 -2.073 -7.694 4.610 437 2HD2 LEU 57 2HD2 LEU 57 -2.543 -7.750 2.911 438 3HD2 LEU 57 3HD2 LEU 57 -3.734 -8.092 4.166 439 HA PRO 58 HA PRO 58 1.759 -5.971 1.626 440 1HB PRO 58 2HB PRO 58 2.341 -5.525 -0.952 441 2HB PRO 58 3HB PRO 58 2.964 -6.936 -0.089 442 1HG PRO 58 2HG PRO 58 0.970 -6.817 -2.230 443 2HG PRO 58 3HG PRO 58 1.836 -8.222 -1.589 444 1HD PRO 58 2HD PRO 58 -0.848 -7.210 -0.904 445 2HD PRO 58 3HD PRO 58 -0.139 -8.816 -0.610 446 HA PRO 59 HA PRO 59 -1.511 -3.063 -0.110 447 1HB PRO 59 2HB PRO 59 -3.538 -3.038 1.688 448 2HB PRO 59 3HB PRO 59 -3.457 -4.193 0.355 449 1HG PRO 59 2HG PRO 59 -3.137 -4.662 3.215 450 2HG PRO 59 3HG PRO 59 -3.360 -5.834 1.909 451 1HD PRO 59 2HD PRO 59 -0.893 -4.984 3.225 452 2HD PRO 59 3HD PRO 59 -1.171 -6.371 2.153 453 H GLY 60 H GLY 60 0.049 -1.479 0.417 454 1HA GLY 60 1HA GLY 60 0.174 0.682 1.424 455 2HA GLY 60 2HA GLY 60 -0.609 0.026 2.857 456 H TRP 61 H TRP 61 2.067 -1.302 1.042 457 HA TRP 61 HA TRP 61 3.761 -1.002 3.425 458 1HB TRP 61 2HB TRP 61 3.854 -3.104 1.256 459 2HB TRP 61 3HB TRP 61 5.107 -2.889 2.466 460 HD1 TRP 61 HD1 TRP 61 1.363 -3.872 2.277 461 HE1 TRP 61 HE1 TRP 61 0.934 -5.584 4.174 462 HE3 TRP 61 HE3 TRP 61 5.852 -3.591 4.662 463 HZ2 TRP 61 HZ2 TRP 61 2.249 -6.510 6.475 464 HZ3 TRP 61 HZ3 TRP 61 6.188 -4.883 6.716 465 HH2 TRP 61 HH2 TRP 61 4.422 -6.325 7.608 466 H GLU 62 H GLU 62 5.921 -0.453 3.081 467 HA GLU 62 HA GLU 62 6.608 0.606 0.429 468 1HB GLU 62 2HB GLU 62 7.158 1.852 3.128 469 2HB GLU 62 3HB GLU 62 7.969 2.348 1.651 470 1HG GLU 62 2HG GLU 62 5.511 2.645 0.783 471 2HG GLU 62 3HG GLU 62 5.156 2.773 2.505 472 H ILE 63 H ILE 63 8.906 0.583 -0.008 473 HA ILE 63 HA ILE 63 10.223 -1.637 1.382 474 HB ILE 63 HB ILE 63 11.868 -1.487 -0.569 475 1HG1 ILE 63 2HG1 ILE 63 9.598 0.164 -1.715 476 2HG1 ILE 63 3HG1 ILE 63 11.227 0.737 -1.377 477 1HG2 ILE 63 1HG2 ILE 63 9.007 -2.275 -1.124 478 2HG2 ILE 63 2HG2 ILE 63 10.422 -2.822 -2.022 479 3HG2 ILE 63 3HG2 ILE 63 10.225 -3.271 -0.328 480 1HD1 ILE 63 1HD1 ILE 63 10.359 -0.111 -3.792 481 2HD1 ILE 63 2HD1 ILE 63 12.046 -0.103 -3.280 482 3HD1 ILE 63 3HD1 ILE 63 11.096 -1.583 -3.159 483 H ARG 64 H ARG 64 11.680 -1.165 2.847 484 HA ARG 64 HA ARG 64 12.933 1.493 2.781 485 1HB ARG 64 2HB ARG 64 11.732 0.968 4.847 486 2HB ARG 64 3HB ARG 64 12.681 -0.497 5.046 487 1HG ARG 64 2HG ARG 64 13.502 1.221 6.520 488 2HG ARG 64 3HG ARG 64 14.710 0.869 5.284 489 1HD ARG 64 2HD ARG 64 13.768 2.842 4.002 490 2HD ARG 64 3HD ARG 64 12.870 3.245 5.465 491 HE ARG 64 HE ARG 64 15.579 2.902 6.125 492 1HH1 ARG 64 2HH1 ARG 64 13.439 5.160 4.505 493 2HH1 ARG 64 1HH1 ARG 64 14.543 6.500 4.647 494 1HH2 ARG 64 2HH2 ARG 64 17.023 4.648 6.306 495 2HH2 ARG 64 1HH2 ARG 64 16.568 6.218 5.711 496 H TYR 65 H TYR 65 14.942 1.603 2.043 497 HA TYR 65 HA TYR 65 16.472 -0.780 1.602 498 1HB TYR 65 2HB TYR 65 18.272 1.126 1.064 499 2HB TYR 65 3HB TYR 65 17.028 0.636 -0.075 500 HD1 TYR 65 HD1 TYR 65 17.415 3.075 2.759 501 HD2 TYR 65 HD2 TYR 65 15.897 2.305 -1.141 502 HE1 TYR 65 HE1 TYR 65 16.605 5.392 2.621 503 HE2 TYR 65 HE2 TYR 65 15.087 4.618 -1.285 504 HH TYR 65 HH TYR 65 15.427 6.747 -0.338 505 H THR 66 H THR 66 17.725 -1.748 2.954 506 HA THR 66 HA THR 66 18.684 -0.249 5.313 507 HB THR 66 HB THR 66 18.572 -3.252 5.026 508 HG1 THR 66 HG1 THR 66 16.466 -2.256 4.906 509 1HG2 THR 66 1HG2 THR 66 18.387 -2.780 7.652 510 2HG2 THR 66 2HG2 THR 66 19.289 -1.339 7.183 511 3HG2 THR 66 3HG2 THR 66 19.939 -2.940 6.832 512 H ALA 67 H ALA 67 20.813 -0.030 5.648 513 HA ALA 67 HA ALA 67 22.566 0.285 3.810 514 1HB ALA 67 1HB ALA 67 24.333 0.272 5.350 515 2HB ALA 67 2HB ALA 67 22.882 0.649 6.279 516 3HB ALA 67 3HB ALA 67 23.569 -0.973 6.337 517 H ALA 68 H ALA 68 22.095 -3.008 5.063 518 HA ALA 68 HA ALA 68 24.339 -4.114 3.684 519 1HB ALA 68 1HB ALA 68 22.065 -5.175 5.226 520 2HB ALA 68 2HB ALA 68 22.770 -6.264 4.032 521 3HB ALA 68 3HB ALA 68 23.780 -5.576 5.303 522 H GLY 69 H GLY 69 21.593 -2.792 2.489 523 1HA GLY 69 1HA GLY 69 21.239 -2.547 0.194 524 2HA GLY 69 2HA GLY 69 22.044 -4.084 -0.076 525 H GLU 70 H GLU 70 19.725 -4.217 2.408 526 HA GLU 70 HA GLU 70 17.946 -5.670 0.582 527 1HB GLU 70 2HB GLU 70 18.914 -6.810 2.616 528 2HB GLU 70 3HB GLU 70 17.915 -5.740 3.593 529 1HG GLU 70 2HG GLU 70 16.846 -7.896 3.309 530 2HG GLU 70 3HG GLU 70 15.910 -6.626 2.517 531 H ARG 71 H ARG 71 15.835 -5.171 0.330 532 HA ARG 71 HA ARG 71 14.957 -2.655 1.532 533 1HB ARG 71 2HB ARG 71 13.269 -2.529 -0.199 534 2HB ARG 71 3HB ARG 71 14.846 -2.794 -0.919 535 1HG ARG 71 2HG ARG 71 12.767 -4.933 -0.500 536 2HG ARG 71 3HG ARG 71 13.034 -4.062 -2.009 537 1HD ARG 71 2HD ARG 71 14.968 -5.890 -0.594 538 2HD ARG 71 3HD ARG 71 14.134 -6.200 -2.117 539 HE ARG 71 HE ARG 71 15.612 -3.845 -2.402 540 1HH1 ARG 71 2HH1 ARG 71 16.316 -7.200 -1.703 541 2HH1 ARG 71 1HH1 ARG 71 17.710 -7.262 -2.742 542 1HH2 ARG 71 2HH2 ARG 71 17.460 -3.891 -3.734 543 2HH2 ARG 71 1HH2 ARG 71 18.382 -5.364 -3.881 544 H PHE 72 H PHE 72 14.129 -3.021 3.458 545 HA PHE 72 HA PHE 72 12.604 -5.315 4.174 546 1HB PHE 72 2HB PHE 72 13.007 -2.640 5.532 547 2HB PHE 72 3HB PHE 72 12.110 -3.970 6.254 548 HD1 PHE 72 HD1 PHE 72 13.800 -3.672 8.141 549 HD2 PHE 72 HD2 PHE 72 14.865 -5.002 4.243 550 HE1 PHE 72 HE1 PHE 72 15.880 -4.620 9.041 551 HE2 PHE 72 HE2 PHE 72 16.950 -5.949 5.137 552 HZ PHE 72 HZ PHE 72 17.495 -5.640 7.570 553 H PHE 73 H PHE 73 10.352 -5.196 4.989 554 HA PHE 73 HA PHE 73 8.724 -3.526 3.207 555 1HB PHE 73 2HB PHE 73 8.141 -6.072 4.706 556 2HB PHE 73 3HB PHE 73 6.840 -5.055 4.102 557 HD1 PHE 73 HD1 PHE 73 6.270 -5.034 1.793 558 HD2 PHE 73 HD2 PHE 73 9.707 -7.148 3.138 559 HE1 PHE 73 HE1 PHE 73 6.444 -6.138 -0.399 560 HE2 PHE 73 HE2 PHE 73 9.891 -8.255 0.949 561 HZ PHE 73 HZ PHE 73 8.234 -7.720 -0.841 562 H VAL 74 H VAL 74 7.344 -2.030 4.000 563 HA VAL 74 HA VAL 74 7.105 -1.714 6.919 564 HB VAL 74 HB VAL 74 7.550 0.618 5.051 565 1HG1 VAL 74 1HG1 VAL 74 6.581 0.490 7.637 566 2HG1 VAL 74 2HG1 VAL 74 8.273 0.942 7.844 567 3HG1 VAL 74 3HG1 VAL 74 7.216 1.924 6.826 568 1HG2 VAL 74 1HG2 VAL 74 9.829 0.579 6.471 569 2HG2 VAL 74 2HG2 VAL 74 9.529 -1.154 6.339 570 3HG2 VAL 74 3HG2 VAL 74 9.663 -0.171 4.883 571 H ASP 75 H ASP 75 4.961 -1.924 7.297 572 HA ASP 75 HA ASP 75 3.021 -0.869 5.362 573 1HB ASP 75 2HB ASP 75 2.575 -3.122 6.206 574 2HB ASP 75 3HB ASP 75 2.666 -2.547 7.867 575 H HIS 76 H HIS 76 2.126 1.098 5.668 576 HA HIS 76 HA HIS 76 2.784 2.459 8.159 577 1HB HIS 76 2HB HIS 76 1.680 3.472 5.534 578 2HB HIS 76 3HB HIS 76 1.980 4.502 6.928 579 HD1 HIS 76 HD1 HIS 76 3.519 5.550 4.816 580 HD2 HIS 76 HD2 HIS 76 4.898 2.178 6.814 581 HE1 HIS 76 HE1 HIS 76 5.959 5.392 4.279 582 HE2 HIS 76 HE2 HIS 76 6.817 3.448 5.619 583 H ASN 77 H ASN 77 0.141 0.871 6.851 584 HA ASN 77 HA ASN 77 -1.962 2.511 7.885 585 1HB ASN 77 2HB ASN 77 -2.249 -0.424 7.302 586 2HB ASN 77 3HB ASN 77 -3.425 0.867 7.069 587 1HD2 ASN 77 1HD2 ASN 77 -0.960 -0.990 5.692 588 2HD2 ASN 77 2HD2 ASN 77 -0.890 -0.198 4.160 589 H THR 78 H THR 78 -0.347 -0.451 8.880 590 HA THR 78 HA THR 78 -1.741 -0.339 11.470 591 HB THR 78 HB THR 78 -1.004 -2.736 11.688 592 HG1 THR 78 HG1 THR 78 -0.174 -2.255 8.995 593 1HG2 THR 78 1HG2 THR 78 -2.987 -1.638 9.850 594 2HG2 THR 78 2HG2 THR 78 -3.143 -2.924 11.046 595 3HG2 THR 78 3HG2 THR 78 -2.506 -3.285 9.442 596 H ARG 79 H ARG 79 1.127 0.506 10.093 597 HA ARG 79 HA ARG 79 3.202 1.035 10.835 598 1HB ARG 79 2HB ARG 79 1.861 0.814 13.535 599 2HB ARG 79 3HB ARG 79 3.494 1.419 13.295 600 1HG ARG 79 2HG ARG 79 1.041 2.640 12.054 601 2HG ARG 79 3HG ARG 79 1.779 3.188 13.561 602 1HD ARG 79 2HD ARG 79 3.120 3.105 10.861 603 2HD ARG 79 3HD ARG 79 2.490 4.546 11.659 604 HE ARG 79 HE ARG 79 4.318 3.283 13.384 605 1HH1 ARG 79 2HH1 ARG 79 4.266 5.050 10.358 606 2HH1 ARG 79 1HH1 ARG 79 5.883 5.671 10.549 607 1HH2 ARG 79 2HH2 ARG 79 6.454 4.106 13.619 608 2HH2 ARG 79 1HH2 ARG 79 7.106 5.147 12.393 609 H ARG 80 H ARG 80 4.014 -0.902 9.986 610 HA ARG 80 HA ARG 80 5.146 -2.705 11.955 611 1HB ARG 80 2HB ARG 80 2.971 -3.733 11.557 612 2HB ARG 80 3HB ARG 80 3.232 -3.674 9.820 613 1HG ARG 80 2HG ARG 80 5.074 -5.264 10.041 614 2HG ARG 80 3HG ARG 80 4.813 -5.319 11.787 615 1HD ARG 80 2HD ARG 80 2.809 -6.111 9.673 616 2HD ARG 80 3HD ARG 80 3.763 -7.223 10.654 617 HE ARG 80 HE ARG 80 2.434 -5.614 12.443 618 1HH1 ARG 80 2HH1 ARG 80 1.557 -7.904 9.935 619 2HH1 ARG 80 1HH1 ARG 80 0.019 -8.284 10.661 620 1HH2 ARG 80 2HH2 ARG 80 0.445 -6.129 13.392 621 2HH2 ARG 80 1HH2 ARG 80 -0.604 -7.290 12.628 622 H THR 81 H THR 81 7.070 -3.578 11.248 623 HA THR 81 HA THR 81 7.667 -3.271 8.391 624 HB THR 81 HB THR 81 8.927 -1.536 9.589 625 HG1 THR 81 HG1 THR 81 9.831 -2.965 7.781 626 1HG2 THR 81 1HG2 THR 81 9.766 -3.849 11.264 627 2HG2 THR 81 2HG2 THR 81 9.358 -2.201 11.738 628 3HG2 THR 81 3HG2 THR 81 10.919 -2.543 10.993 629 H THR 82 H THR 82 8.864 -4.950 7.478 630 HA THR 82 HA THR 82 9.443 -7.263 9.191 631 HB THR 82 HB THR 82 7.883 -7.433 6.603 632 HG1 THR 82 HG1 THR 82 6.955 -7.562 9.304 633 1HG2 THR 82 1HG2 THR 82 8.653 -9.435 8.713 634 2HG2 THR 82 2HG2 THR 82 8.985 -9.487 6.980 635 3HG2 THR 82 3HG2 THR 82 7.339 -9.725 7.574 636 H PHE 83 H PHE 83 11.204 -8.421 8.558 637 HA PHE 83 HA PHE 83 12.927 -7.292 6.546 638 1HB PHE 83 2HB PHE 83 13.155 -9.806 8.234 639 2HB PHE 83 3HB PHE 83 14.404 -9.257 7.129 640 HD1 PHE 83 HD1 PHE 83 12.359 -7.142 9.353 641 HD2 PHE 83 HD2 PHE 83 16.184 -8.867 8.653 642 HE1 PHE 83 HE1 PHE 83 13.313 -5.742 11.131 643 HE2 PHE 83 HE2 PHE 83 17.143 -7.477 10.440 644 HZ PHE 83 HZ PHE 83 15.797 -6.024 11.715 645 H GLU 84 H GLU 84 11.178 -10.335 6.976 646 HA GLU 84 HA GLU 84 11.680 -11.198 4.268 647 1HB GLU 84 2HB GLU 84 10.145 -13.086 4.909 648 2HB GLU 84 3HB GLU 84 11.572 -12.921 5.921 649 1HG GLU 84 2HG GLU 84 10.166 -11.702 7.581 650 2HG GLU 84 3HG GLU 84 8.759 -12.088 6.592 651 H ASP 85 H ASP 85 9.142 -12.307 3.634 652 HA ASP 85 HA ASP 85 7.787 -9.915 2.716 653 1HB ASP 85 2HB ASP 85 7.408 -12.856 2.160 654 2HB ASP 85 3HB ASP 85 6.279 -11.636 1.580 655 HA PRO 86 HA PRO 86 4.713 -9.768 5.864 656 1HB PRO 86 2HB PRO 86 2.802 -8.989 3.742 657 2HB PRO 86 3HB PRO 86 3.310 -8.098 5.180 658 1HG PRO 86 2HG PRO 86 4.143 -7.365 2.758 659 2HG PRO 86 3HG PRO 86 5.233 -7.289 4.158 660 1HD PRO 86 2HD PRO 86 5.073 -9.357 1.990 661 2HD PRO 86 3HD PRO 86 6.508 -8.601 2.716 662 H ARG 87 H ARG 87 1.855 -10.004 4.934 663 HA ARG 87 HA ARG 87 0.201 -11.550 4.909 664 1HB ARG 87 2HB ARG 87 0.958 -12.280 2.764 665 2HB ARG 87 3HB ARG 87 2.308 -13.158 3.463 666 1HG ARG 87 2HG ARG 87 0.539 -14.651 2.676 667 2HG ARG 87 3HG ARG 87 0.804 -14.795 4.411 668 1HD ARG 87 2HD ARG 87 -1.558 -14.820 3.983 669 2HD ARG 87 3HD ARG 87 -1.138 -13.306 4.778 670 HE ARG 87 HE ARG 87 -1.062 -12.662 2.163 671 1HH1 ARG 87 2HH1 ARG 87 -3.446 -14.465 3.944 672 2HH1 ARG 87 1HH1 ARG 87 -4.804 -13.649 3.215 673 1HH2 ARG 87 2HH2 ARG 87 -2.856 -11.570 1.198 674 2HH2 ARG 87 1HH2 ARG 87 -4.466 -11.981 1.710 675 HA PRO 88 HA PRO 88 1.888 -13.373 8.799 676 1HB PRO 88 2HB PRO 88 -0.224 -12.598 10.330 677 2HB PRO 88 3HB PRO 88 1.170 -11.558 10.016 678 1HG PRO 88 2HG PRO 88 -1.522 -11.562 8.714 679 2HG PRO 88 3HG PRO 88 -0.530 -10.186 9.229 680 1HD PRO 88 2HD PRO 88 -0.672 -11.002 6.651 681 2HD PRO 88 3HD PRO 88 0.787 -10.267 7.346 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -13.831 -5.596 -4.900 2 2H GLY 1 2H GLY 1 -12.610 -4.414 -4.936 3 3H GLY 1 3H GLY 1 -14.177 -3.998 -4.452 4 1HA GLY 1 2HA GLY 1 -12.098 -5.451 -2.988 5 2HA GLY 1 1HA GLY 1 -13.160 -4.164 -2.431 6 H SER 2 H SER 2 -12.503 -7.067 -1.600 7 HA SER 2 HA SER 2 -14.977 -8.485 -1.811 8 1HB SER 2 2HB SER 2 -12.701 -8.901 0.145 9 2HB SER 2 3HB SER 2 -13.970 -10.063 -0.250 10 HG SER 2 HG SER 2 -11.654 -9.493 -1.570 11 HA PRO 3 HA PRO 3 -17.266 -6.288 1.258 12 1HB PRO 3 2HB PRO 3 -18.999 -8.330 1.935 13 2HB PRO 3 3HB PRO 3 -19.201 -7.252 0.551 14 1HG PRO 3 2HG PRO 3 -18.086 -10.023 0.653 15 2HG PRO 3 3HG PRO 3 -19.137 -9.276 -0.566 16 1HD PRO 3 2HD PRO 3 -16.504 -9.600 -0.984 17 2HD PRO 3 3HD PRO 3 -17.377 -8.179 -1.597 18 H GLU 4 H GLU 4 -16.417 -5.860 3.143 19 HA GLU 4 HA GLU 4 -16.351 -7.774 5.297 20 1HB GLU 4 2HB GLU 4 -14.256 -8.238 3.931 21 2HB GLU 4 3HB GLU 4 -13.721 -6.617 4.341 22 1HG GLU 4 2HG GLU 4 -12.667 -8.268 5.761 23 2HG GLU 4 3HG GLU 4 -13.710 -7.209 6.707 24 H PHE 5 H PHE 5 -17.668 -5.410 4.809 25 HA PHE 5 HA PHE 5 -18.276 -3.448 5.779 26 1HB PHE 5 2HB PHE 5 -16.080 -4.107 7.750 27 2HB PHE 5 3HB PHE 5 -17.087 -2.669 7.865 28 HD1 PHE 5 HD1 PHE 5 -19.053 -2.740 9.052 29 HD2 PHE 5 HD2 PHE 5 -17.332 -6.379 7.675 30 HE1 PHE 5 HE1 PHE 5 -20.729 -4.008 10.327 31 HE2 PHE 5 HE2 PHE 5 -19.016 -7.655 8.937 32 HZ PHE 5 HZ PHE 5 -20.714 -6.469 10.267 33 H HIS 6 H HIS 6 -17.948 -1.521 4.947 34 HA HIS 6 HA HIS 6 -16.968 0.338 4.092 35 1HB HIS 6 2HB HIS 6 -14.321 -0.753 5.074 36 2HB HIS 6 3HB HIS 6 -14.647 0.897 4.553 37 HD1 HIS 6 HD1 HIS 6 -16.796 1.970 6.090 38 HD2 HIS 6 HD2 HIS 6 -14.334 -0.941 7.755 39 HE1 HIS 6 HE1 HIS 6 -17.107 2.158 8.582 40 HE2 HIS 6 HE2 HIS 6 -15.484 0.499 9.573 41 H MET 7 H MET 7 -15.911 0.989 2.171 42 HA MET 7 HA MET 7 -15.516 -1.264 0.343 43 1HB MET 7 2HB MET 7 -15.974 1.668 -0.246 44 2HB MET 7 3HB MET 7 -15.727 0.430 -1.468 45 1HG MET 7 2HG MET 7 -18.020 0.679 -1.425 46 2HG MET 7 3HG MET 7 -17.756 -0.731 -0.401 47 1HE MET 7 1HE MET 7 -19.203 3.298 0.130 48 2HE MET 7 2HE MET 7 -17.865 3.408 1.272 49 3HE MET 7 3HE MET 7 -17.560 2.943 -0.401 50 H ASP 8 H ASP 8 -14.098 1.952 0.897 51 HA ASP 8 HA ASP 8 -11.999 2.773 0.651 52 1HB ASP 8 2HB ASP 8 -11.793 1.038 2.582 53 2HB ASP 8 3HB ASP 8 -10.913 0.072 1.400 54 H ALA 9 H ALA 9 -9.971 0.322 0.054 55 HA ALA 9 HA ALA 9 -8.932 -0.629 -1.725 56 1HB ALA 9 1HB ALA 9 -10.167 -1.469 -3.469 57 2HB ALA 9 2HB ALA 9 -11.407 -1.230 -2.238 58 3HB ALA 9 3HB ALA 9 -11.225 -0.060 -3.545 59 H LEU 10 H LEU 10 -10.640 2.332 -2.622 60 HA LEU 10 HA LEU 10 -8.653 3.078 -4.586 61 1HB LEU 10 2HB LEU 10 -10.864 4.694 -3.310 62 2HB LEU 10 3HB LEU 10 -9.869 5.226 -4.652 63 HG LEU 10 HG LEU 10 -11.710 2.833 -4.747 64 1HD1 LEU 10 1HD1 LEU 10 -12.124 5.709 -5.444 65 2HD1 LEU 10 2HD1 LEU 10 -12.952 4.445 -6.357 66 3HD1 LEU 10 3HD1 LEU 10 -13.205 4.586 -4.616 67 1HD2 LEU 10 1HD2 LEU 10 -10.021 2.518 -6.347 68 2HD2 LEU 10 2HD2 LEU 10 -11.368 3.220 -7.242 69 3HD2 LEU 10 3HD2 LEU 10 -9.995 4.227 -6.782 70 H GLY 11 H GLY 11 -9.705 4.321 -1.438 71 1HA GLY 11 1HA GLY 11 -8.342 4.866 0.383 72 2HA GLY 11 2HA GLY 11 -6.934 4.700 -0.651 73 HA PRO 12 HA PRO 12 -8.590 9.137 -1.536 74 1HB PRO 12 2HB PRO 12 -10.757 9.608 0.362 75 2HB PRO 12 3HB PRO 12 -10.762 9.781 -1.394 76 1HG PRO 12 2HG PRO 12 -12.143 7.834 -0.113 77 2HG PRO 12 3HG PRO 12 -11.459 7.617 -1.735 78 1HD PRO 12 2HD PRO 12 -10.397 6.686 0.909 79 2HD PRO 12 3HD PRO 12 -10.465 5.825 -0.646 80 H LEU 13 H LEU 13 -7.366 10.673 -0.695 81 HA LEU 13 HA LEU 13 -5.885 11.673 0.737 82 1HB LEU 13 2HB LEU 13 -8.433 11.705 2.350 83 2HB LEU 13 3HB LEU 13 -7.016 12.664 2.733 84 HG LEU 13 HG LEU 13 -8.662 12.883 0.212 85 1HD1 LEU 13 1HD1 LEU 13 -8.494 15.259 1.810 86 2HD1 LEU 13 2HD1 LEU 13 -9.920 14.372 1.270 87 3HD1 LEU 13 3HD1 LEU 13 -9.120 13.921 2.774 88 1HD2 LEU 13 1HD2 LEU 13 -6.833 15.051 0.800 89 2HD2 LEU 13 2HD2 LEU 13 -5.989 13.519 0.579 90 3HD2 LEU 13 3HD2 LEU 13 -7.053 14.132 -0.689 91 HA PRO 14 HA PRO 14 -5.251 7.713 3.246 92 1HB PRO 14 2HB PRO 14 -2.624 7.449 2.413 93 2HB PRO 14 3HB PRO 14 -4.003 6.613 1.693 94 1HG PRO 14 2HG PRO 14 -2.596 9.086 0.787 95 2HG PRO 14 3HG PRO 14 -3.245 7.746 -0.177 96 1HD PRO 14 2HD PRO 14 -4.535 10.091 0.019 97 2HD PRO 14 3HD PRO 14 -5.415 8.548 -0.055 98 H ASP 15 H ASP 15 -4.723 8.007 5.298 99 HA ASP 15 HA ASP 15 -3.265 10.348 6.141 100 1HB ASP 15 2HB ASP 15 -4.496 8.052 7.680 101 2HB ASP 15 3HB ASP 15 -3.703 9.427 8.440 102 H GLY 16 H GLY 16 -1.404 9.281 4.734 103 1HA GLY 16 1HA GLY 16 0.737 8.699 6.390 104 2HA GLY 16 2HA GLY 16 0.077 7.156 5.866 105 H TRP 17 H TRP 17 -0.805 7.883 3.341 106 HA TRP 17 HA TRP 17 1.715 8.221 1.893 107 1HB TRP 17 2HB TRP 17 -1.007 7.221 1.089 108 2HB TRP 17 3HB TRP 17 0.183 7.703 -0.112 109 HD1 TRP 17 HD1 TRP 17 -0.527 4.967 2.463 110 HE1 TRP 17 HE1 TRP 17 0.996 2.954 1.926 111 HE3 TRP 17 HE3 TRP 17 2.432 7.106 -1.119 112 HZ2 TRP 17 HZ2 TRP 17 3.133 2.347 0.220 113 HZ3 TRP 17 HZ3 TRP 17 4.199 5.735 -2.142 114 HH2 TRP 17 HH2 TRP 17 4.545 3.409 -1.484 115 H GLU 18 H GLU 18 1.400 9.440 -0.213 116 HA GLU 18 HA GLU 18 -0.542 11.599 -0.074 117 1HB GLU 18 2HB GLU 18 2.434 12.028 -0.405 118 2HB GLU 18 3HB GLU 18 1.234 13.225 -0.870 119 1HG GLU 18 2HG GLU 18 0.464 13.379 1.426 120 2HG GLU 18 3HG GLU 18 1.608 12.127 1.908 121 H LYS 19 H LYS 19 -1.507 11.791 -2.000 122 HA LYS 19 HA LYS 19 -0.207 10.483 -4.295 123 1HB LYS 19 2HB LYS 19 -2.576 10.284 -5.196 124 2HB LYS 19 3HB LYS 19 -2.176 9.263 -3.823 125 1HG LYS 19 2HG LYS 19 -3.276 10.915 -2.339 126 2HG LYS 19 3HG LYS 19 -3.771 11.814 -3.777 127 1HD LYS 19 2HD LYS 19 -4.473 8.933 -3.230 128 2HD LYS 19 3HD LYS 19 -5.532 10.300 -2.882 129 1HE LYS 19 2HE LYS 19 -4.454 9.597 -5.609 130 2HE LYS 19 3HE LYS 19 -6.061 9.174 -5.022 131 1HZ LYS 19 1HZ LYS 19 -5.107 11.656 -6.082 132 2HZ LYS 19 2HZ LYS 19 -5.867 11.864 -4.585 133 3HZ LYS 19 3HZ LYS 19 -6.697 11.114 -5.860 134 H LYS 20 H LYS 20 0.054 11.631 -6.168 135 HA LYS 20 HA LYS 20 -1.079 14.325 -6.237 136 1HB LYS 20 2HB LYS 20 1.573 13.915 -5.627 137 2HB LYS 20 3HB LYS 20 1.625 14.136 -7.370 138 1HG LYS 20 2HG LYS 20 0.772 16.300 -7.242 139 2HG LYS 20 3HG LYS 20 0.171 16.064 -5.600 140 1HD LYS 20 2HD LYS 20 3.080 16.141 -6.400 141 2HD LYS 20 3HD LYS 20 2.188 17.476 -5.667 142 1HE LYS 20 2HE LYS 20 1.716 16.014 -3.715 143 2HE LYS 20 3HE LYS 20 2.744 14.779 -4.437 144 1HZ LYS 20 1HZ LYS 20 3.798 16.249 -2.713 145 2HZ LYS 20 2HZ LYS 20 3.722 17.513 -3.844 146 3HZ LYS 20 3HZ LYS 20 4.636 16.121 -4.182 147 H ILE 21 H ILE 21 -2.242 14.451 -8.063 148 HA ILE 21 HA ILE 21 -1.850 12.432 -10.089 149 HB ILE 21 HB ILE 21 -4.116 12.926 -9.388 150 1HG1 ILE 21 2HG1 ILE 21 -5.132 13.398 -11.644 151 2HG1 ILE 21 3HG1 ILE 21 -3.510 13.737 -12.237 152 1HG2 ILE 21 1HG2 ILE 21 -3.545 15.717 -10.363 153 2HG2 ILE 21 2HG2 ILE 21 -5.172 15.102 -10.063 154 3HG2 ILE 21 3HG2 ILE 21 -4.011 15.208 -8.739 155 1HD1 ILE 21 1HD1 ILE 21 -4.616 11.126 -11.262 156 2HD1 ILE 21 2HD1 ILE 21 -3.997 11.527 -12.862 157 3HD1 ILE 21 3HD1 ILE 21 -2.892 11.406 -11.495 158 H GLN 22 H GLN 22 -0.875 12.630 -11.963 159 HA GLN 22 HA GLN 22 0.020 15.274 -12.855 160 1HB GLN 22 2HB GLN 22 1.650 13.326 -12.598 161 2HB GLN 22 3HB GLN 22 0.825 12.574 -13.956 162 1HG GLN 22 2HG GLN 22 2.742 13.612 -14.827 163 2HG GLN 22 3HG GLN 22 1.377 14.623 -15.294 164 1HE2 GLN 22 1HE2 GLN 22 2.026 14.969 -12.016 165 2HE2 GLN 22 2HE2 GLN 22 2.953 16.430 -12.105 166 H SER 23 H SER 23 -0.664 16.106 -14.761 167 HA SER 23 HA SER 23 -3.164 15.904 -15.578 168 1HB SER 23 2HB SER 23 -1.512 17.595 -16.348 169 2HB SER 23 3HB SER 23 -0.915 16.429 -17.528 170 HG SER 23 HG SER 23 -2.548 16.875 -18.771 171 H ASP 24 H ASP 24 -0.611 13.924 -17.045 172 HA ASP 24 HA ASP 24 -2.085 12.923 -19.126 173 1HB ASP 24 2HB ASP 24 0.198 11.678 -17.599 174 2HB ASP 24 3HB ASP 24 -0.508 10.896 -19.008 175 H ASN 25 H ASN 25 -1.707 11.488 -15.926 176 HA ASN 25 HA ASN 25 -3.930 10.642 -14.981 177 1HB ASN 25 2HB ASN 25 -4.907 8.734 -15.976 178 2HB ASN 25 3HB ASN 25 -4.618 9.822 -17.324 179 1HD2 ASN 25 1HD2 ASN 25 -4.637 6.753 -16.623 180 2HD2 ASN 25 2HD2 ASN 25 -3.345 6.160 -17.611 181 H ARG 26 H ARG 26 -1.169 10.802 -14.579 182 HA ARG 26 HA ARG 26 -0.533 8.118 -13.535 183 1HB ARG 26 2HB ARG 26 1.354 10.458 -13.906 184 2HB ARG 26 3HB ARG 26 1.790 8.845 -13.355 185 1HG ARG 26 2HG ARG 26 1.234 7.908 -15.502 186 2HG ARG 26 3HG ARG 26 0.634 9.468 -16.066 187 1HD ARG 26 2HD ARG 26 2.824 9.116 -16.970 188 2HD ARG 26 3HD ARG 26 2.916 10.393 -15.761 189 HE ARG 26 HE ARG 26 4.408 9.114 -14.633 190 1HH1 ARG 26 2HH1 ARG 26 2.508 6.976 -16.678 191 2HH1 ARG 26 1HH1 ARG 26 3.405 5.556 -16.226 192 1HH2 ARG 26 2HH2 ARG 26 5.577 7.254 -14.055 193 2HH2 ARG 26 1HH2 ARG 26 5.128 5.704 -14.715 194 H VAL 27 H VAL 27 -0.401 7.886 -11.289 195 HA VAL 27 HA VAL 27 -0.869 10.361 -9.776 196 HB VAL 27 HB VAL 27 -1.492 7.557 -8.841 197 1HG1 VAL 27 1HG1 VAL 27 -0.980 9.027 -7.016 198 2HG1 VAL 27 2HG1 VAL 27 -2.075 10.260 -7.647 199 3HG1 VAL 27 3HG1 VAL 27 -2.719 8.732 -7.044 200 1HG2 VAL 27 1HG2 VAL 27 -3.891 8.909 -8.991 201 2HG2 VAL 27 2HG2 VAL 27 -3.059 9.394 -10.470 202 3HG2 VAL 27 3HG2 VAL 27 -3.319 7.684 -10.124 203 H TYR 28 H TYR 28 0.874 10.972 -8.547 204 HA TYR 28 HA TYR 28 3.040 9.030 -8.285 205 1HB TYR 28 2HB TYR 28 2.753 11.914 -7.408 206 2HB TYR 28 3HB TYR 28 4.123 10.915 -6.941 207 HD1 TYR 28 HD1 TYR 28 5.796 12.237 -7.992 208 HD2 TYR 28 HD2 TYR 28 2.530 10.752 -10.281 209 HE1 TYR 28 HE1 TYR 28 6.966 12.862 -10.058 210 HE2 TYR 28 HE2 TYR 28 3.695 11.375 -12.354 211 HH TYR 28 HH TYR 28 5.774 11.929 -13.212 212 H PHE 29 H PHE 29 3.721 8.262 -6.179 213 HA PHE 29 HA PHE 29 1.841 8.855 -4.048 214 1HB PHE 29 2HB PHE 29 2.164 6.473 -3.214 215 2HB PHE 29 3HB PHE 29 1.068 6.725 -4.552 216 HD1 PHE 29 HD1 PHE 29 1.963 6.190 -6.903 217 HD2 PHE 29 HD2 PHE 29 3.794 4.867 -3.300 218 HE1 PHE 29 HE1 PHE 29 2.969 4.299 -8.107 219 HE2 PHE 29 HE2 PHE 29 4.819 2.988 -4.505 220 HZ PHE 29 HZ PHE 29 4.402 2.698 -6.913 221 H VAL 30 H VAL 30 2.726 9.449 -2.274 222 HA VAL 30 HA VAL 30 5.634 9.116 -1.929 223 HB VAL 30 HB VAL 30 4.168 11.686 -1.331 224 1HG1 VAL 30 1HG1 VAL 30 6.108 12.372 -0.517 225 2HG1 VAL 30 2HG1 VAL 30 6.744 10.744 -0.755 226 3HG1 VAL 30 3HG1 VAL 30 6.934 11.960 -2.020 227 1HG2 VAL 30 1HG2 VAL 30 4.585 10.709 -3.911 228 2HG2 VAL 30 2HG2 VAL 30 4.177 12.362 -3.446 229 3HG2 VAL 30 3HG2 VAL 30 5.865 11.893 -3.648 230 H ASN 31 H ASN 31 5.655 7.855 -0.101 231 HA ASN 31 HA ASN 31 3.692 8.379 1.973 232 1HB ASN 31 2HB ASN 31 4.436 6.053 1.377 233 2HB ASN 31 3HB ASN 31 6.036 6.459 1.983 234 1HD2 ASN 31 1HD2 ASN 31 3.088 5.160 2.736 235 2HD2 ASN 31 2HD2 ASN 31 3.169 5.224 4.467 236 H HIS 32 H HIS 32 4.051 9.891 3.455 237 HA HIS 32 HA HIS 32 6.645 11.079 3.658 238 1HB HIS 32 2HB HIS 32 5.537 12.687 5.220 239 2HB HIS 32 3HB HIS 32 4.758 12.564 3.650 240 HD1 HIS 32 HD1 HIS 32 4.280 11.164 7.172 241 HD2 HIS 32 HD2 HIS 32 2.078 12.246 3.810 242 HE1 HIS 32 HE1 HIS 32 1.867 10.881 7.818 243 HE2 HIS 32 HE2 HIS 32 0.554 11.732 5.843 244 H LYS 33 H LYS 33 4.808 8.866 5.480 245 HA LYS 33 HA LYS 33 6.115 9.101 7.953 246 1HB LYS 33 2HB LYS 33 3.970 7.808 7.400 247 2HB LYS 33 3HB LYS 33 5.025 6.507 6.861 248 1HG LYS 33 2HG LYS 33 4.447 5.959 9.059 249 2HG LYS 33 3HG LYS 33 6.082 6.613 9.166 250 1HD LYS 33 2HD LYS 33 4.741 7.515 10.957 251 2HD LYS 33 3HD LYS 33 5.126 8.799 9.809 252 1HE LYS 33 2HE LYS 33 2.777 8.868 10.563 253 2HE LYS 33 3HE LYS 33 2.931 8.634 8.822 254 1HZ LYS 33 1HZ LYS 33 1.283 7.193 10.163 255 2HZ LYS 33 2HZ LYS 33 2.654 6.295 10.589 256 3HZ LYS 33 3HZ LYS 33 2.226 6.463 8.956 257 H ASN 34 H ASN 34 6.857 7.209 5.055 258 HA ASN 34 HA ASN 34 9.353 6.295 6.308 259 1HB ASN 34 2HB ASN 34 7.702 4.655 5.259 260 2HB ASN 34 3HB ASN 34 8.166 5.332 3.704 261 1HD2 ASN 34 1HD2 ASN 34 10.607 5.161 6.131 262 2HD2 ASN 34 2HD2 ASN 34 11.459 3.808 5.469 263 H ARG 35 H ARG 35 8.153 8.580 4.115 264 HA ARG 35 HA ARG 35 9.081 10.072 2.713 265 1HB ARG 35 2HB ARG 35 11.610 9.228 4.123 266 2HB ARG 35 3HB ARG 35 11.559 10.512 2.920 267 1HG ARG 35 2HG ARG 35 10.047 10.455 5.526 268 2HG ARG 35 3HG ARG 35 11.474 11.429 5.162 269 1HD ARG 35 2HD ARG 35 10.256 12.629 3.450 270 2HD ARG 35 3HD ARG 35 8.842 11.608 3.702 271 HE ARG 35 HE ARG 35 9.578 12.879 6.123 272 1HH1 ARG 35 2HH1 ARG 35 8.038 13.461 3.035 273 2HH1 ARG 35 1HH1 ARG 35 7.166 14.861 3.584 274 1HH2 ARG 35 2HH2 ARG 35 8.396 14.712 6.867 275 2HH2 ARG 35 1HH2 ARG 35 7.337 15.549 5.762 276 H THR 36 H THR 36 8.313 8.337 1.208 277 HA THR 36 HA THR 36 10.473 7.765 -0.675 278 HB THR 36 HB THR 36 10.356 5.718 0.610 279 HG1 THR 36 HG1 THR 36 10.695 4.962 -1.346 280 1HG2 THR 36 1HG2 THR 36 7.415 5.662 -0.071 281 2HG2 THR 36 2HG2 THR 36 8.107 5.937 1.529 282 3HG2 THR 36 3HG2 THR 36 8.307 4.373 0.738 283 H THR 37 H THR 37 9.861 8.169 -2.748 284 HA THR 37 HA THR 37 6.967 8.432 -3.253 285 HB THR 37 HB THR 37 8.004 10.630 -3.186 286 HG1 THR 37 HG1 THR 37 6.363 10.166 -4.794 287 1HG2 THR 37 1HG2 THR 37 9.587 10.594 -5.555 288 2HG2 THR 37 2HG2 THR 37 10.169 9.332 -4.470 289 3HG2 THR 37 3HG2 THR 37 10.072 11.001 -3.910 290 H GLN 38 H GLN 38 6.147 7.698 -5.131 291 HA GLN 38 HA GLN 38 7.841 6.555 -7.233 292 1HB GLN 38 2HB GLN 38 6.126 5.047 -5.307 293 2HB GLN 38 3HB GLN 38 6.262 4.468 -6.960 294 1HG GLN 38 2HG GLN 38 8.533 4.886 -5.034 295 2HG GLN 38 3HG GLN 38 7.837 3.339 -5.511 296 1HE2 GLN 38 1HE2 GLN 38 10.467 5.030 -5.887 297 2HE2 GLN 38 2HE2 GLN 38 10.887 4.676 -7.535 298 H TRP 39 H TRP 39 6.744 6.216 -9.206 299 HA TRP 39 HA TRP 39 4.270 7.726 -9.457 300 1HB TRP 39 2HB TRP 39 5.477 6.582 -11.887 301 2HB TRP 39 3HB TRP 39 4.958 8.231 -11.553 302 HD1 TRP 39 HD1 TRP 39 6.775 9.937 -10.737 303 HE1 TRP 39 HE1 TRP 39 9.342 9.835 -10.527 304 HE3 TRP 39 HE3 TRP 39 7.430 4.910 -11.343 305 HZ2 TRP 39 HZ2 TRP 39 11.374 7.871 -10.625 306 HZ3 TRP 39 HZ3 TRP 39 9.711 3.997 -11.280 307 HH2 TRP 39 HH2 TRP 39 11.643 5.450 -10.929 308 H GLU 40 H GLU 40 2.352 6.842 -9.584 309 HA GLU 40 HA GLU 40 1.098 5.400 -11.227 310 1HB GLU 40 2HB GLU 40 2.854 3.545 -11.064 311 2HB GLU 40 3HB GLU 40 2.098 3.113 -9.532 312 1HG GLU 40 2HG GLU 40 0.025 2.638 -10.602 313 2HG GLU 40 3HG GLU 40 0.597 3.297 -12.130 314 H ASP 41 H ASP 41 1.083 3.428 -8.416 315 HA ASP 41 HA ASP 41 -0.349 4.841 -6.505 316 1HB ASP 41 2HB ASP 41 -2.053 4.901 -8.463 317 2HB ASP 41 3HB ASP 41 -2.264 3.182 -8.157 318 HA PRO 42 HA PRO 42 0.601 0.670 -5.038 319 1HB PRO 42 2HB PRO 42 0.451 1.505 -2.313 320 2HB PRO 42 3HB PRO 42 1.909 1.367 -3.299 321 1HG PRO 42 2HG PRO 42 0.890 3.750 -2.311 322 2HG PRO 42 3HG PRO 42 1.989 3.605 -3.698 323 1HD PRO 42 2HD PRO 42 -0.994 3.831 -3.650 324 2HD PRO 42 3HD PRO 42 0.174 4.692 -4.698 325 H ARG 43 H ARG 43 -2.100 1.353 -5.742 326 HA ARG 43 HA ARG 43 -3.601 -0.388 -4.019 327 1HB ARG 43 2HB ARG 43 -3.357 2.187 -3.120 328 2HB ARG 43 3HB ARG 43 -4.835 2.287 -4.069 329 1HG ARG 43 2HG ARG 43 -5.855 0.561 -2.746 330 2HG ARG 43 3HG ARG 43 -4.347 0.294 -1.870 331 1HD ARG 43 2HD ARG 43 -6.021 2.805 -1.851 332 2HD ARG 43 3HD ARG 43 -5.880 1.637 -0.539 333 HE ARG 43 HE ARG 43 -3.713 2.430 -0.094 334 1HH1 ARG 43 2HH1 ARG 43 -5.344 4.276 -2.564 335 2HH1 ARG 43 1HH1 ARG 43 -4.115 5.502 -2.657 336 1HH2 ARG 43 2HH2 ARG 43 -2.092 4.066 -0.177 337 2HH2 ARG 43 1HH2 ARG 43 -2.278 5.399 -1.277 338 H THR 44 H THR 44 -5.276 -1.239 -5.113 339 HA THR 44 HA THR 44 -6.547 -1.834 -6.898 340 HB THR 44 HB THR 44 -6.852 1.138 -7.386 341 HG1 THR 44 HG1 THR 44 -7.519 0.748 -5.293 342 1HG2 THR 44 1HG2 THR 44 -8.896 0.586 -8.498 343 2HG2 THR 44 2HG2 THR 44 -8.776 -1.104 -8.008 344 3HG2 THR 44 3HG2 THR 44 -7.643 -0.443 -9.189 345 H GLN 45 H GLN 45 -3.949 -2.076 -7.358 346 HA GLN 45 HA GLN 45 -3.174 -0.669 -9.755 347 1HB GLN 45 2HB GLN 45 -1.834 -1.411 -7.556 348 2HB GLN 45 3HB GLN 45 -1.498 -2.807 -8.566 349 1HG GLN 45 2HG GLN 45 -0.669 -1.217 -10.314 350 2HG GLN 45 3HG GLN 45 -0.814 0.063 -9.107 351 1HE2 GLN 45 1HE2 GLN 45 0.895 0.446 -7.911 352 2HE2 GLN 45 2HE2 GLN 45 2.218 -0.650 -7.637 353 H GLY 46 H GLY 46 -1.474 -3.310 -10.104 354 1HA GLY 46 1HA GLY 46 -3.044 -5.410 -10.945 355 2HA GLY 46 2HA GLY 46 -2.969 -4.313 -12.316 356 H GLN 47 H GLN 47 -0.399 -3.360 -12.037 357 HA GLN 47 HA GLN 47 1.000 -5.422 -13.344 358 1HB GLN 47 2HB GLN 47 1.858 -2.708 -12.373 359 2HB GLN 47 3HB GLN 47 2.935 -3.784 -13.250 360 1HG GLN 47 2HG GLN 47 1.409 -3.779 -15.149 361 2HG GLN 47 3HG GLN 47 0.318 -2.707 -14.271 362 1HE2 GLN 47 1HE2 GLN 47 3.171 -1.691 -13.256 363 2HE2 GLN 47 2HE2 GLN 47 3.552 -0.501 -14.449 364 H GLU 48 H GLU 48 1.168 -4.296 -10.005 365 HA GLU 48 HA GLU 48 3.362 -6.221 -9.601 366 1HB GLU 48 2HB GLU 48 4.175 -3.898 -9.697 367 2HB GLU 48 3HB GLU 48 3.105 -3.474 -8.368 368 1HG GLU 48 2HG GLU 48 5.310 -3.746 -7.514 369 2HG GLU 48 3HG GLU 48 4.321 -5.084 -6.936 370 H VAL 49 H VAL 49 0.727 -4.449 -7.962 371 HA VAL 49 HA VAL 49 0.290 -6.702 -6.232 372 HB VAL 49 HB VAL 49 0.345 -5.223 -4.154 373 1HG1 VAL 49 1HG1 VAL 49 1.954 -6.923 -4.268 374 2HG1 VAL 49 2HG1 VAL 49 2.850 -6.111 -5.551 375 3HG1 VAL 49 3HG1 VAL 49 2.866 -5.455 -3.913 376 1HG2 VAL 49 1HG2 VAL 49 2.061 -3.518 -5.956 377 2HG2 VAL 49 2HG2 VAL 49 0.519 -3.063 -5.224 378 3HG2 VAL 49 3HG2 VAL 49 1.934 -3.337 -4.205 379 H SER 50 H SER 50 -1.128 -5.238 -4.311 380 HA SER 50 HA SER 50 -3.176 -4.385 -3.827 381 1HB SER 50 2HB SER 50 -3.270 -3.329 -6.656 382 2HB SER 50 3HB SER 50 -4.232 -2.788 -5.281 383 HG SER 50 HG SER 50 -1.425 -2.697 -5.153 384 H LEU 51 H LEU 51 -3.538 -6.700 -3.795 385 HA LEU 51 HA LEU 51 -4.755 -8.565 -4.212 386 1HB LEU 51 2HB LEU 51 -6.310 -6.803 -6.115 387 2HB LEU 51 3HB LEU 51 -6.757 -8.437 -5.668 388 HG LEU 51 HG LEU 51 -6.625 -6.072 -3.796 389 1HD1 LEU 51 1HD1 LEU 51 -8.712 -5.648 -4.399 390 2HD1 LEU 51 2HD1 LEU 51 -8.638 -6.951 -5.587 391 3HD1 LEU 51 3HD1 LEU 51 -9.183 -7.285 -3.943 392 1HD2 LEU 51 1HD2 LEU 51 -6.072 -8.435 -2.912 393 2HD2 LEU 51 2HD2 LEU 51 -7.275 -7.467 -2.058 394 3HD2 LEU 51 3HD2 LEU 51 -7.790 -8.753 -3.151 395 H ILE 52 H ILE 52 -2.338 -8.306 -5.340 396 HA ILE 52 HA ILE 52 -2.709 -9.772 -7.852 397 HB ILE 52 HB ILE 52 -0.521 -7.760 -7.232 398 1HG1 ILE 52 2HG1 ILE 52 -2.660 -6.865 -8.126 399 2HG1 ILE 52 3HG1 ILE 52 -1.282 -6.595 -9.196 400 1HG2 ILE 52 1HG2 ILE 52 -0.710 -9.700 -9.534 401 2HG2 ILE 52 2HG2 ILE 52 0.465 -8.392 -9.399 402 3HG2 ILE 52 3HG2 ILE 52 0.485 -9.720 -8.239 403 1HD1 ILE 52 1HD1 ILE 52 -3.333 -8.787 -9.495 404 2HD1 ILE 52 2HD1 ILE 52 -3.300 -7.278 -10.408 405 3HD1 ILE 52 3HD1 ILE 52 -1.996 -8.450 -10.592 406 H ASN 53 H ASN 53 -2.540 -11.709 -6.699 407 HA ASN 53 HA ASN 53 -0.694 -12.136 -4.604 408 1HB ASN 53 2HB ASN 53 -2.295 -14.087 -6.263 409 2HB ASN 53 3HB ASN 53 -1.368 -14.543 -4.839 410 1HD2 ASN 53 1HD2 ASN 53 -2.231 -11.705 -3.823 411 2HD2 ASN 53 2HD2 ASN 53 -3.800 -12.022 -3.162 412 H GLU 54 H GLU 54 1.241 -11.334 -5.816 413 HA GLU 54 HA GLU 54 2.946 -13.448 -6.532 414 1HB GLU 54 2HB GLU 54 1.514 -13.248 -8.611 415 2HB GLU 54 3HB GLU 54 2.222 -11.655 -8.838 416 1HG GLU 54 2HG GLU 54 4.417 -12.617 -9.075 417 2HG GLU 54 3HG GLU 54 3.784 -14.222 -8.709 418 H GLY 55 H GLY 55 2.212 -10.201 -6.145 419 1HA GLY 55 1HA GLY 55 4.999 -9.340 -6.420 420 2HA GLY 55 2HA GLY 55 3.616 -8.276 -6.206 421 HA PRO 56 HA PRO 56 5.286 -10.005 -1.970 422 1HB PRO 56 2HB PRO 56 8.095 -9.309 -2.289 423 2HB PRO 56 3HB PRO 56 7.379 -10.858 -1.844 424 1HG PRO 56 2HG PRO 56 8.623 -10.443 -4.216 425 2HG PRO 56 3HG PRO 56 7.286 -11.591 -4.017 426 1HD PRO 56 2HD PRO 56 7.250 -8.808 -5.130 427 2HD PRO 56 3HD PRO 56 6.418 -10.267 -5.712 428 H LEU 57 H LEU 57 4.108 -7.655 -2.376 429 HA LEU 57 HA LEU 57 5.684 -5.727 -0.846 430 1HB LEU 57 2HB LEU 57 6.240 -5.337 -3.196 431 2HB LEU 57 3HB LEU 57 4.539 -5.265 -3.606 432 HG LEU 57 HG LEU 57 4.464 -3.269 -1.965 433 1HD1 LEU 57 1HD1 LEU 57 7.191 -3.946 -1.774 434 2HD1 LEU 57 2HD1 LEU 57 7.099 -2.408 -2.633 435 3HD1 LEU 57 3HD1 LEU 57 6.353 -2.578 -1.045 436 1HD2 LEU 57 1HD2 LEU 57 5.497 -3.368 -4.750 437 2HD2 LEU 57 2HD2 LEU 57 4.000 -2.682 -4.119 438 3HD2 LEU 57 3HD2 LEU 57 5.524 -1.823 -3.896 439 HA PRO 58 HA PRO 58 1.724 -5.061 1.023 440 1HB PRO 58 2HB PRO 58 2.688 -2.349 1.672 441 2HB PRO 58 3HB PRO 58 2.207 -3.660 2.752 442 1HG PRO 58 2HG PRO 58 4.770 -2.949 2.479 443 2HG PRO 58 3HG PRO 58 4.296 -4.646 2.698 444 1HD PRO 58 2HD PRO 58 5.076 -3.201 0.196 445 2HD PRO 58 3HD PRO 58 5.515 -4.835 0.738 446 HA PRO 59 HA PRO 59 -0.282 -2.631 -2.248 447 1HB PRO 59 2HB PRO 59 -2.677 -4.086 -1.599 448 2HB PRO 59 3HB PRO 59 -1.644 -4.257 -3.017 449 1HG PRO 59 2HG PRO 59 -1.926 -6.177 -1.088 450 2HG PRO 59 3HG PRO 59 -0.498 -6.014 -2.124 451 1HD PRO 59 2HD PRO 59 -0.912 -5.089 0.695 452 2HD PRO 59 3HD PRO 59 0.515 -5.850 -0.045 453 H GLY 60 H GLY 60 -0.360 -0.635 -1.113 454 1HA GLY 60 1HA GLY 60 -1.608 1.151 -0.335 455 2HA GLY 60 2HA GLY 60 -2.982 0.063 -0.176 456 H TRP 61 H TRP 61 0.219 -0.060 1.233 457 HA TRP 61 HA TRP 61 -1.069 -0.299 3.872 458 1HB TRP 61 2HB TRP 61 1.437 -1.555 2.787 459 2HB TRP 61 3HB TRP 61 1.116 -1.472 4.519 460 HD1 TRP 61 HD1 TRP 61 -1.148 -2.435 1.540 461 HE1 TRP 61 HE1 TRP 61 -2.372 -4.577 2.113 462 HE3 TRP 61 HE3 TRP 61 0.989 -3.318 6.070 463 HZ2 TRP 61 HZ2 TRP 61 -2.318 -6.548 4.210 464 HZ3 TRP 61 HZ3 TRP 61 0.341 -5.320 7.312 465 HH2 TRP 61 HH2 TRP 61 -1.272 -6.920 6.400 466 H GLU 62 H GLU 62 -0.005 0.456 5.716 467 HA GLU 62 HA GLU 62 1.797 2.738 5.233 468 1HB GLU 62 2HB GLU 62 -0.402 3.608 5.639 469 2HB GLU 62 3HB GLU 62 -0.645 2.523 6.994 470 1HG GLU 62 2HG GLU 62 -0.285 4.758 7.787 471 2HG GLU 62 3HG GLU 62 1.066 3.735 8.264 472 H ILE 63 H ILE 63 3.268 3.190 6.870 473 HA ILE 63 HA ILE 63 3.776 0.989 8.729 474 HB ILE 63 HB ILE 63 5.852 2.305 9.357 475 1HG1 ILE 63 2HG1 ILE 63 5.253 3.738 6.758 476 2HG1 ILE 63 3HG1 ILE 63 5.126 4.465 8.357 477 1HG2 ILE 63 1HG2 ILE 63 6.319 1.673 6.560 478 2HG2 ILE 63 2HG2 ILE 63 6.940 0.898 8.020 479 3HG2 ILE 63 3HG2 ILE 63 5.357 0.445 7.384 480 1HD1 ILE 63 1HD1 ILE 63 7.358 4.692 8.577 481 2HD1 ILE 63 2HD1 ILE 63 7.710 3.208 7.685 482 3HD1 ILE 63 3HD1 ILE 63 7.289 4.686 6.815 483 H ARG 64 H ARG 64 3.292 1.144 10.790 484 HA ARG 64 HA ARG 64 2.321 3.732 11.798 485 1HB ARG 64 2HB ARG 64 0.442 2.158 11.602 486 2HB ARG 64 3HB ARG 64 1.332 0.968 12.540 487 1HG ARG 64 2HG ARG 64 1.264 2.423 14.485 488 2HG ARG 64 3HG ARG 64 0.403 3.647 13.549 489 1HD ARG 64 2HD ARG 64 -1.107 2.307 14.956 490 2HD ARG 64 3HD ARG 64 -1.467 2.143 13.239 491 HE ARG 64 HE ARG 64 -1.035 -0.082 13.420 492 1HH1 ARG 64 2HH1 ARG 64 0.465 1.523 16.153 493 2HH1 ARG 64 1HH1 ARG 64 1.066 0.043 16.853 494 1HH2 ARG 64 2HH2 ARG 64 -0.282 -2.023 14.344 495 2HH2 ARG 64 1HH2 ARG 64 0.591 -1.980 15.852 496 H TYR 65 H TYR 65 3.672 4.485 13.307 497 HA TYR 65 HA TYR 65 5.578 2.584 14.437 498 1HB TYR 65 2HB TYR 65 6.935 4.539 15.035 499 2HB TYR 65 3HB TYR 65 6.550 4.508 13.320 500 HD1 TYR 65 HD1 TYR 65 5.241 6.260 12.319 501 HD2 TYR 65 HD2 TYR 65 5.876 6.184 16.522 502 HE1 TYR 65 HE1 TYR 65 4.379 8.554 12.485 503 HE2 TYR 65 HE2 TYR 65 5.022 8.480 16.699 504 HH TYR 65 HH TYR 65 3.196 9.916 14.743 505 H THR 66 H THR 66 5.859 2.186 16.549 506 HA THR 66 HA THR 66 3.858 3.325 18.377 507 HB THR 66 HB THR 66 3.847 0.885 18.334 508 HG1 THR 66 HG1 THR 66 4.868 0.742 20.706 509 1HG2 THR 66 1HG2 THR 66 6.622 0.769 19.429 510 2HG2 THR 66 2HG2 THR 66 6.379 0.858 17.685 511 3HG2 THR 66 3HG2 THR 66 5.686 -0.477 18.605 512 H ALA 67 H ALA 67 4.520 4.286 20.267 513 HA ALA 67 HA ALA 67 6.376 6.104 20.260 514 1HB ALA 67 1HB ALA 67 6.527 5.899 22.824 515 2HB ALA 67 2HB ALA 67 4.956 6.189 22.079 516 3HB ALA 67 3HB ALA 67 5.390 4.569 22.621 517 H ALA 68 H ALA 68 7.239 2.796 21.248 518 HA ALA 68 HA ALA 68 9.846 3.415 22.103 519 1HB ALA 68 1HB ALA 68 8.832 1.342 22.748 520 2HB ALA 68 2HB ALA 68 8.683 0.837 21.066 521 3HB ALA 68 3HB ALA 68 10.277 0.981 21.804 522 H GLY 69 H GLY 69 8.546 3.524 19.035 523 1HA GLY 69 1HA GLY 69 9.719 4.380 17.180 524 2HA GLY 69 2HA GLY 69 11.218 3.787 17.875 525 H GLU 70 H GLU 70 8.430 1.724 17.637 526 HA GLU 70 HA GLU 70 9.816 0.171 15.560 527 1HB GLU 70 2HB GLU 70 7.661 -0.694 17.492 528 2HB GLU 70 3HB GLU 70 8.345 -1.707 16.229 529 1HG GLU 70 2HG GLU 70 10.557 -1.479 17.295 530 2HG GLU 70 3HG GLU 70 9.801 -0.564 18.599 531 H ARG 71 H ARG 71 8.922 -0.056 13.606 532 HA ARG 71 HA ARG 71 6.300 1.203 13.189 533 1HB ARG 71 2HB ARG 71 6.926 1.313 10.797 534 2HB ARG 71 3HB ARG 71 8.030 2.195 11.842 535 1HG ARG 71 2HG ARG 71 9.391 -0.037 11.774 536 2HG ARG 71 3HG ARG 71 8.470 -0.299 10.291 537 1HD ARG 71 2HD ARG 71 10.601 0.789 9.828 538 2HD ARG 71 3HD ARG 71 9.244 1.840 9.424 539 HE ARG 71 HE ARG 71 9.974 2.450 12.036 540 1HH1 ARG 71 2HH1 ARG 71 11.388 2.598 8.823 541 2HH1 ARG 71 1HH1 ARG 71 12.445 3.924 9.216 542 1HH2 ARG 71 2HH2 ARG 71 11.337 4.192 12.542 543 2HH2 ARG 71 1HH2 ARG 71 12.421 4.834 11.342 544 H PHE 72 H PHE 72 4.591 0.099 12.483 545 HA PHE 72 HA PHE 72 4.920 -2.774 11.925 546 1HB PHE 72 2HB PHE 72 2.481 -1.288 12.949 547 2HB PHE 72 3HB PHE 72 2.551 -3.009 12.599 548 HD1 PHE 72 HD1 PHE 72 4.499 -0.526 14.618 549 HD2 PHE 72 HD2 PHE 72 2.710 -4.380 14.408 550 HE1 PHE 72 HE1 PHE 72 5.198 -0.971 16.931 551 HE2 PHE 72 HE2 PHE 72 3.410 -4.832 16.720 552 HZ PHE 72 HZ PHE 72 4.654 -3.125 17.985 553 H PHE 73 H PHE 73 2.951 -3.513 10.492 554 HA PHE 73 HA PHE 73 2.764 -1.631 8.242 555 1HB PHE 73 2HB PHE 73 2.507 -4.640 8.346 556 2HB PHE 73 3HB PHE 73 2.072 -3.682 6.934 557 HD1 PHE 73 HD1 PHE 73 3.732 -2.757 5.500 558 HD2 PHE 73 HD2 PHE 73 4.855 -4.775 9.075 559 HE1 PHE 73 HE1 PHE 73 6.065 -2.827 4.722 560 HE2 PHE 73 HE2 PHE 73 7.190 -4.843 8.305 561 HZ PHE 73 HZ PHE 73 7.798 -3.870 6.128 562 H VAL 74 H VAL 74 0.736 -1.227 7.305 563 HA VAL 74 HA VAL 74 -1.631 -2.175 8.760 564 HB VAL 74 HB VAL 74 -1.094 0.749 8.177 565 1HG1 VAL 74 1HG1 VAL 74 -3.240 1.192 8.602 566 2HG1 VAL 74 2HG1 VAL 74 -3.525 -0.530 8.356 567 3HG1 VAL 74 3HG1 VAL 74 -3.284 0.102 9.986 568 1HG2 VAL 74 1HG2 VAL 74 -1.526 0.465 10.896 569 2HG2 VAL 74 2HG2 VAL 74 -0.479 -0.896 10.484 570 3HG2 VAL 74 3HG2 VAL 74 0.023 0.752 10.101 571 H ASP 75 H ASP 75 -3.011 -2.952 7.332 572 HA ASP 75 HA ASP 75 -3.042 -2.007 4.554 573 1HB ASP 75 2HB ASP 75 -3.239 -4.472 5.152 574 2HB ASP 75 3HB ASP 75 -4.813 -4.101 5.844 575 H HIS 76 H HIS 76 -4.790 -0.812 3.702 576 HA HIS 76 HA HIS 76 -6.620 0.201 5.743 577 1HB HIS 76 2HB HIS 76 -5.855 1.411 3.084 578 2HB HIS 76 3HB HIS 76 -7.007 2.115 4.210 579 HD1 HIS 76 HD1 HIS 76 -3.337 1.085 4.193 580 HD2 HIS 76 HD2 HIS 76 -5.888 3.886 5.906 581 HE1 HIS 76 HE1 HIS 76 -1.866 2.613 5.534 582 HE2 HIS 76 HE2 HIS 76 -3.422 4.293 6.588 583 H ASN 77 H ASN 77 -6.564 -1.297 2.589 584 HA ASN 77 HA ASN 77 -9.403 -0.990 2.119 585 1HB ASN 77 2HB ASN 77 -8.978 -2.627 0.251 586 2HB ASN 77 3HB ASN 77 -8.027 -1.147 0.166 587 1HD2 ASN 77 1HD2 ASN 77 -5.835 -1.231 0.471 588 2HD2 ASN 77 2HD2 ASN 77 -4.940 -2.703 0.568 589 H THR 78 H THR 78 -7.277 -3.138 3.652 590 HA THR 78 HA THR 78 -9.447 -5.063 4.192 591 HB THR 78 HB THR 78 -6.541 -5.452 4.916 592 HG1 THR 78 HG1 THR 78 -6.340 -5.341 2.768 593 1HG2 THR 78 1HG2 THR 78 -8.010 -7.000 6.009 594 2HG2 THR 78 2HG2 THR 78 -7.205 -7.859 4.696 595 3HG2 THR 78 3HG2 THR 78 -8.874 -7.323 4.504 596 H ARG 79 H ARG 79 -7.524 -2.599 5.618 597 HA ARG 79 HA ARG 79 -7.323 -1.719 7.691 598 1HB ARG 79 2HB ARG 79 -10.094 -2.851 7.783 599 2HB ARG 79 3HB ARG 79 -9.386 -2.173 9.242 600 1HG ARG 79 2HG ARG 79 -9.942 -0.765 6.641 601 2HG ARG 79 3HG ARG 79 -10.676 -0.466 8.218 602 1HD ARG 79 2HD ARG 79 -8.263 0.030 8.987 603 2HD ARG 79 3HD ARG 79 -7.907 0.181 7.271 604 HE ARG 79 HE ARG 79 -9.133 2.113 8.918 605 1HH1 ARG 79 2HH1 ARG 79 -9.476 0.789 5.670 606 2HH1 ARG 79 1HH1 ARG 79 -10.136 2.260 5.026 607 1HH2 ARG 79 2HH2 ARG 79 -9.937 4.045 8.029 608 2HH2 ARG 79 1HH2 ARG 79 -10.363 4.111 6.343 609 H ARG 80 H ARG 80 -5.566 -2.881 8.288 610 HA ARG 80 HA ARG 80 -5.864 -4.749 10.451 611 1HB ARG 80 2HB ARG 80 -6.325 -6.152 8.412 612 2HB ARG 80 3HB ARG 80 -4.698 -5.790 7.860 613 1HG ARG 80 2HG ARG 80 -3.770 -6.919 9.809 614 2HG ARG 80 3HG ARG 80 -5.401 -7.258 10.396 615 1HD ARG 80 2HD ARG 80 -4.210 -8.238 7.801 616 2HD ARG 80 3HD ARG 80 -4.442 -9.201 9.260 617 HE ARG 80 HE ARG 80 -6.929 -8.190 8.641 618 1HH1 ARG 80 2HH1 ARG 80 -4.552 -10.200 7.010 619 2HH1 ARG 80 1HH1 ARG 80 -5.744 -11.097 6.115 620 1HH2 ARG 80 2HH2 ARG 80 -8.495 -9.380 7.464 621 2HH2 ARG 80 1HH2 ARG 80 -7.977 -10.640 6.377 622 H THR 81 H THR 81 -3.971 -4.907 11.635 623 HA THR 81 HA THR 81 -1.616 -3.598 10.448 624 HB THR 81 HB THR 81 -2.680 -2.136 12.155 625 HG1 THR 81 HG1 THR 81 -0.283 -2.378 11.725 626 1HG2 THR 81 1HG2 THR 81 -3.474 -3.059 14.024 627 2HG2 THR 81 2HG2 THR 81 -1.802 -3.267 14.551 628 3HG2 THR 81 3HG2 THR 81 -2.629 -4.574 13.701 629 H THR 82 H THR 82 0.415 -4.440 11.035 630 HA THR 82 HA THR 82 0.609 -6.802 12.697 631 HB THR 82 HB THR 82 -0.230 -7.846 10.692 632 HG1 THR 82 HG1 THR 82 1.904 -8.932 10.006 633 1HG2 THR 82 1HG2 THR 82 1.308 -5.810 9.365 634 2HG2 THR 82 2HG2 THR 82 0.044 -6.857 8.719 635 3HG2 THR 82 3HG2 THR 82 1.721 -7.404 8.729 636 H PHE 83 H PHE 83 2.762 -7.186 13.332 637 HA PHE 83 HA PHE 83 4.582 -5.027 12.822 638 1HB PHE 83 2HB PHE 83 6.189 -6.709 14.110 639 2HB PHE 83 3HB PHE 83 4.995 -5.730 14.947 640 HD1 PHE 83 HD1 PHE 83 4.091 -6.847 16.709 641 HD2 PHE 83 HD2 PHE 83 4.859 -9.010 13.127 642 HE1 PHE 83 HE1 PHE 83 3.155 -8.875 17.736 643 HE2 PHE 83 HE2 PHE 83 3.916 -11.039 14.147 644 HZ PHE 83 HZ PHE 83 3.062 -10.973 16.455 645 H GLU 84 H GLU 84 4.357 -8.396 11.845 646 HA GLU 84 HA GLU 84 6.793 -8.349 10.344 647 1HB GLU 84 2HB GLU 84 4.505 -10.324 10.285 648 2HB GLU 84 3HB GLU 84 6.088 -10.569 9.558 649 1HG GLU 84 2HG GLU 84 7.123 -10.459 11.761 650 2HG GLU 84 3HG GLU 84 5.542 -10.198 12.493 651 H ASP 85 H ASP 85 7.037 -8.402 8.107 652 HA ASP 85 HA ASP 85 5.447 -6.629 6.630 653 1HB ASP 85 2HB ASP 85 6.729 -7.339 4.666 654 2HB ASP 85 3HB ASP 85 7.783 -7.094 6.049 655 HA PRO 86 HA PRO 86 1.794 -8.651 5.527 656 1HB PRO 86 2HB PRO 86 2.320 -7.663 2.759 657 2HB PRO 86 3HB PRO 86 0.869 -7.501 3.755 658 1HG PRO 86 2HG PRO 86 2.548 -5.457 3.445 659 2HG PRO 86 3HG PRO 86 1.753 -5.764 5.000 660 1HD PRO 86 2HD PRO 86 4.573 -6.223 4.192 661 2HD PRO 86 3HD PRO 86 3.904 -5.822 5.785 662 H ARG 87 H ARG 87 3.845 -8.912 2.588 663 HA ARG 87 HA ARG 87 3.668 -11.807 2.806 664 1HB ARG 87 2HB ARG 87 3.167 -11.788 0.315 665 2HB ARG 87 3HB ARG 87 1.837 -11.472 1.411 666 1HG ARG 87 2HG ARG 87 1.688 -9.276 0.732 667 2HG ARG 87 3HG ARG 87 3.378 -9.219 0.200 668 1HD ARG 87 2HD ARG 87 1.108 -10.709 -1.112 669 2HD ARG 87 3HD ARG 87 1.953 -9.291 -1.744 670 HE ARG 87 HE ARG 87 3.987 -10.959 -1.504 671 1HH1 ARG 87 2HH1 ARG 87 0.773 -11.644 -2.712 672 2HH1 ARG 87 1HH1 ARG 87 1.319 -12.904 -3.781 673 1HH2 ARG 87 2HH2 ARG 87 4.711 -12.529 -2.979 674 2HH2 ARG 87 1HH2 ARG 87 3.561 -13.366 -3.983 675 HA PRO 88 HA PRO 88 7.770 -11.440 1.118 676 1HB PRO 88 2HB PRO 88 8.177 -14.194 1.102 677 2HB PRO 88 3HB PRO 88 8.491 -13.119 2.464 678 1HG PRO 88 2HG PRO 88 6.515 -15.156 2.288 679 2HG PRO 88 3HG PRO 88 6.756 -13.997 3.603 680 1HD PRO 88 2HD PRO 88 4.803 -13.946 1.376 681 2HD PRO 88 3HD PRO 88 4.699 -13.215 2.990 Start of MODEL 4 1 1H GLY 1 1H GLY 1 -26.098 17.953 2.213 2 2H GLY 1 2H GLY 1 -24.427 17.734 2.041 3 3H GLY 1 3H GLY 1 -25.093 18.003 3.577 4 1HA GLY 1 2HA GLY 1 -24.453 15.606 2.792 5 2HA GLY 1 1HA GLY 1 -25.862 15.899 3.805 6 H SER 2 H SER 2 -25.218 16.350 0.335 7 HA SER 2 HA SER 2 -27.820 15.229 -0.288 8 1HB SER 2 2HB SER 2 -27.193 15.853 -2.632 9 2HB SER 2 3HB SER 2 -27.125 17.208 -1.504 10 HG SER 2 HG SER 2 -25.154 17.430 -2.186 11 HA PRO 3 HA PRO 3 -26.175 11.187 -1.177 12 1HB PRO 3 2HB PRO 3 -28.565 10.577 -2.687 13 2HB PRO 3 3HB PRO 3 -28.102 10.009 -1.081 14 1HG PRO 3 2HG PRO 3 -30.186 11.715 -1.545 15 2HG PRO 3 3HG PRO 3 -29.284 11.649 -0.022 16 1HD PRO 3 2HD PRO 3 -29.040 13.589 -2.289 17 2HD PRO 3 3HD PRO 3 -28.969 13.883 -0.538 18 H GLU 4 H GLU 4 -25.275 13.234 -2.934 19 HA GLU 4 HA GLU 4 -25.798 12.380 -5.651 20 1HB GLU 4 2HB GLU 4 -25.400 14.782 -4.930 21 2HB GLU 4 3HB GLU 4 -23.712 14.349 -4.704 22 1HG GLU 4 2HG GLU 4 -23.528 13.776 -7.061 23 2HG GLU 4 3HG GLU 4 -25.232 14.161 -7.297 24 H PHE 5 H PHE 5 -24.842 10.273 -4.203 25 HA PHE 5 HA PHE 5 -23.303 8.619 -4.136 26 1HB PHE 5 2HB PHE 5 -22.561 9.883 -6.776 27 2HB PHE 5 3HB PHE 5 -21.851 8.382 -6.197 28 HD1 PHE 5 HD1 PHE 5 -25.263 9.865 -6.587 29 HD2 PHE 5 HD2 PHE 5 -22.758 6.455 -7.019 30 HE1 PHE 5 HE1 PHE 5 -27.153 8.601 -7.516 31 HE2 PHE 5 HE2 PHE 5 -24.646 5.184 -7.951 32 HZ PHE 5 HZ PHE 5 -26.847 6.257 -8.201 33 H HIS 6 H HIS 6 -22.317 9.417 -2.269 34 HA HIS 6 HA HIS 6 -20.341 11.365 -2.164 35 1HB HIS 6 2HB HIS 6 -21.064 9.090 -0.366 36 2HB HIS 6 3HB HIS 6 -19.589 9.996 -0.051 37 HD1 HIS 6 HD1 HIS 6 -23.289 10.751 -0.602 38 HD2 HIS 6 HD2 HIS 6 -19.997 12.163 1.517 39 HE1 HIS 6 HE1 HIS 6 -24.149 12.653 0.800 40 HE2 HIS 6 HE2 HIS 6 -22.157 13.467 2.113 41 H MET 7 H MET 7 -18.259 11.445 -2.356 42 HA MET 7 HA MET 7 -16.121 10.971 -2.922 43 1HB MET 7 2HB MET 7 -16.010 9.172 -1.395 44 2HB MET 7 3HB MET 7 -16.969 8.124 -2.428 45 1HG MET 7 2HG MET 7 -15.165 7.976 -4.016 46 2HG MET 7 3HG MET 7 -14.221 9.156 -3.108 47 1HE MET 7 1HE MET 7 -15.175 4.852 -1.829 48 2HE MET 7 2HE MET 7 -16.286 6.112 -1.296 49 3HE MET 7 3HE MET 7 -16.037 5.829 -3.018 50 H ASP 8 H ASP 8 -15.170 11.027 -4.766 51 HA ASP 8 HA ASP 8 -16.634 10.059 -7.121 52 1HB ASP 8 2HB ASP 8 -14.941 11.722 -8.279 53 2HB ASP 8 3HB ASP 8 -16.406 12.321 -7.509 54 H ALA 9 H ALA 9 -13.261 10.784 -6.409 55 HA ALA 9 HA ALA 9 -12.239 8.180 -6.640 56 1HB ALA 9 1HB ALA 9 -12.092 9.828 -9.163 57 2HB ALA 9 2HB ALA 9 -11.070 8.428 -8.842 58 3HB ALA 9 3HB ALA 9 -12.817 8.233 -8.967 59 H LEU 10 H LEU 10 -11.783 11.601 -7.202 60 HA LEU 10 HA LEU 10 -9.028 11.681 -6.473 61 1HB LEU 10 2HB LEU 10 -9.753 13.396 -7.908 62 2HB LEU 10 3HB LEU 10 -11.213 13.680 -6.979 63 HG LEU 10 HG LEU 10 -9.715 14.497 -5.135 64 1HD1 LEU 10 1HD1 LEU 10 -7.720 14.221 -7.345 65 2HD1 LEU 10 2HD1 LEU 10 -7.523 15.468 -6.115 66 3HD1 LEU 10 3HD1 LEU 10 -7.571 13.769 -5.647 67 1HD2 LEU 10 1HD2 LEU 10 -10.628 15.783 -7.533 68 2HD2 LEU 10 2HD2 LEU 10 -10.581 16.399 -5.882 69 3HD2 LEU 10 3HD2 LEU 10 -9.170 16.572 -6.925 70 H GLY 11 H GLY 11 -12.167 12.122 -4.938 71 1HA GLY 11 1HA GLY 11 -11.252 13.118 -2.460 72 2HA GLY 11 2HA GLY 11 -12.788 12.308 -2.734 73 HA PRO 12 HA PRO 12 -9.173 9.627 -0.685 74 1HB PRO 12 2HB PRO 12 -10.031 10.916 1.858 75 2HB PRO 12 3HB PRO 12 -8.416 10.426 1.333 76 1HG PRO 12 2HG PRO 12 -9.106 12.992 1.349 77 2HG PRO 12 3HG PRO 12 -8.123 12.328 0.029 78 1HD PRO 12 2HD PRO 12 -11.037 12.997 0.073 79 2HD PRO 12 3HD PRO 12 -9.845 13.236 -1.221 80 H LEU 13 H LEU 13 -9.750 7.663 0.015 81 HA LEU 13 HA LEU 13 -12.540 7.088 0.318 82 1HB LEU 13 2HB LEU 13 -11.282 5.556 -0.963 83 2HB LEU 13 3HB LEU 13 -10.061 5.392 0.283 84 HG LEU 13 HG LEU 13 -11.793 4.267 1.719 85 1HD1 LEU 13 1HD1 LEU 13 -13.525 3.278 -0.221 86 2HD1 LEU 13 2HD1 LEU 13 -13.915 4.399 1.086 87 3HD1 LEU 13 3HD1 LEU 13 -13.466 5.019 -0.505 88 1HD2 LEU 13 1HD2 LEU 13 -11.504 2.139 0.694 89 2HD2 LEU 13 2HD2 LEU 13 -11.283 2.871 -0.898 90 3HD2 LEU 13 3HD2 LEU 13 -10.056 3.091 0.350 91 HA PRO 14 HA PRO 14 -11.480 5.620 4.706 92 1HB PRO 14 2HB PRO 14 -8.709 6.127 5.378 93 2HB PRO 14 3HB PRO 14 -9.551 4.581 5.249 94 1HG PRO 14 2HG PRO 14 -7.612 5.375 3.511 95 2HG PRO 14 3HG PRO 14 -8.933 4.281 3.062 96 1HD PRO 14 2HD PRO 14 -8.668 7.228 2.578 97 2HD PRO 14 3HD PRO 14 -9.229 5.950 1.475 98 H ASP 15 H ASP 15 -8.884 7.294 5.941 99 HA ASP 15 HA ASP 15 -10.453 9.715 6.528 100 1HB ASP 15 2HB ASP 15 -10.722 7.945 8.336 101 2HB ASP 15 3HB ASP 15 -9.005 8.133 8.664 102 H GLY 16 H GLY 16 -8.349 9.458 4.739 103 1HA GLY 16 1HA GLY 16 -6.691 11.545 5.135 104 2HA GLY 16 2HA GLY 16 -5.876 10.253 6.009 105 H TRP 17 H TRP 17 -6.273 8.106 4.514 106 HA TRP 17 HA TRP 17 -4.385 8.402 2.460 107 1HB TRP 17 2HB TRP 17 -6.209 6.173 3.277 108 2HB TRP 17 3HB TRP 17 -5.348 6.045 1.751 109 HD1 TRP 17 HD1 TRP 17 -5.025 4.859 5.087 110 HE1 TRP 17 HE1 TRP 17 -2.584 4.313 5.691 111 HE3 TRP 17 HE3 TRP 17 -2.653 7.404 1.320 112 HZ2 TRP 17 HZ2 TRP 17 -0.013 4.906 4.746 113 HZ3 TRP 17 HZ3 TRP 17 -0.193 7.354 1.258 114 HH2 TRP 17 HH2 TRP 17 1.097 6.132 2.932 115 H GLU 18 H GLU 18 -4.507 8.429 0.281 116 HA GLU 18 HA GLU 18 -7.144 8.442 -1.012 117 1HB GLU 18 2HB GLU 18 -6.305 10.766 -0.707 118 2HB GLU 18 3HB GLU 18 -4.858 10.339 -1.609 119 1HG GLU 18 2HG GLU 18 -6.356 9.773 -3.542 120 2HG GLU 18 3HG GLU 18 -7.683 10.486 -2.624 121 H LYS 19 H LYS 19 -6.795 6.325 -1.729 122 HA LYS 19 HA LYS 19 -4.383 5.800 -3.266 123 1HB LYS 19 2HB LYS 19 -5.288 3.436 -3.358 124 2HB LYS 19 3HB LYS 19 -4.830 4.046 -1.777 125 1HG LYS 19 2HG LYS 19 -6.822 3.477 -1.013 126 2HG LYS 19 3HG LYS 19 -7.567 4.633 -2.120 127 1HD LYS 19 2HD LYS 19 -8.451 2.313 -2.336 128 2HD LYS 19 3HD LYS 19 -7.773 2.961 -3.828 129 1HE LYS 19 2HE LYS 19 -7.087 0.660 -3.542 130 2HE LYS 19 3HE LYS 19 -5.691 1.722 -3.402 131 1HZ LYS 19 1HZ LYS 19 -6.852 -0.059 -1.465 132 2HZ LYS 19 2HZ LYS 19 -6.514 1.478 -0.837 133 3HZ LYS 19 3HZ LYS 19 -5.275 0.561 -1.555 134 H LYS 20 H LYS 20 -4.247 5.726 -5.385 135 HA LYS 20 HA LYS 20 -6.715 5.592 -6.972 136 1HB LYS 20 2HB LYS 20 -6.044 7.933 -6.889 137 2HB LYS 20 3HB LYS 20 -4.424 7.510 -7.423 138 1HG LYS 20 2HG LYS 20 -5.186 6.941 -9.589 139 2HG LYS 20 3HG LYS 20 -6.876 6.984 -9.081 140 1HD LYS 20 2HD LYS 20 -6.774 9.364 -8.756 141 2HD LYS 20 3HD LYS 20 -5.036 9.372 -9.057 142 1HE LYS 20 2HE LYS 20 -7.024 8.434 -11.105 143 2HE LYS 20 3HE LYS 20 -6.543 10.123 -10.962 144 1HZ LYS 20 1HZ LYS 20 -5.066 9.375 -12.506 145 2HZ LYS 20 2HZ LYS 20 -4.971 7.812 -11.860 146 3HZ LYS 20 3HZ LYS 20 -4.164 9.097 -11.096 147 H ILE 21 H ILE 21 -6.631 3.916 -8.313 148 HA ILE 21 HA ILE 21 -4.260 2.414 -8.689 149 HB ILE 21 HB ILE 21 -6.414 1.319 -8.626 150 1HG1 ILE 21 2HG1 ILE 21 -5.171 1.058 -11.375 151 2HG1 ILE 21 3HG1 ILE 21 -4.613 0.241 -9.919 152 1HG2 ILE 21 1HG2 ILE 21 -7.574 1.747 -11.122 153 2HG2 ILE 21 2HG2 ILE 21 -8.170 2.301 -9.559 154 3HG2 ILE 21 3HG2 ILE 21 -7.141 3.351 -10.532 155 1HD1 ILE 21 1HD1 ILE 21 -7.397 -0.282 -10.326 156 2HD1 ILE 21 2HD1 ILE 21 -6.483 -0.665 -11.784 157 3HD1 ILE 21 3HD1 ILE 21 -6.044 -1.409 -10.248 158 H GLN 22 H GLN 22 -2.898 2.211 -10.392 159 HA GLN 22 HA GLN 22 -3.188 4.102 -12.631 160 1HB GLN 22 2HB GLN 22 -1.014 3.903 -11.101 161 2HB GLN 22 3HB GLN 22 -0.676 2.546 -12.164 162 1HG GLN 22 2HG GLN 22 0.431 4.487 -13.010 163 2HG GLN 22 3HG GLN 22 -0.889 4.066 -14.103 164 1HE2 GLN 22 1HE2 GLN 22 -1.931 5.767 -14.826 165 2HE2 GLN 22 2HE2 GLN 22 -2.221 7.240 -13.950 166 H SER 23 H SER 23 -3.044 3.207 -14.758 167 HA SER 23 HA SER 23 -4.442 0.833 -15.061 168 1HB SER 23 2HB SER 23 -2.770 2.236 -17.151 169 2HB SER 23 3HB SER 23 -4.096 1.111 -17.456 170 HG SER 23 HG SER 23 -5.148 2.857 -15.877 171 H ASP 24 H ASP 24 -1.220 1.014 -14.290 172 HA ASP 24 HA ASP 24 -0.333 -1.392 -15.663 173 1HB ASP 24 2HB ASP 24 1.219 0.484 -14.887 174 2HB ASP 24 3HB ASP 24 0.928 -0.075 -13.246 175 H ASN 25 H ASN 25 -1.990 -0.378 -12.921 176 HA ASN 25 HA ASN 25 -3.393 -1.563 -11.499 177 1HB ASN 25 2HB ASN 25 -1.670 -3.959 -12.157 178 2HB ASN 25 3HB ASN 25 -2.902 -3.961 -10.901 179 1HD2 ASN 25 1HD2 ASN 25 -2.412 -5.153 -13.746 180 2HD2 ASN 25 2HD2 ASN 25 -3.980 -4.997 -14.484 181 H ARG 26 H ARG 26 -1.034 0.013 -11.213 182 HA ARG 26 HA ARG 26 -0.025 -0.919 -8.601 183 1HB ARG 26 2HB ARG 26 1.008 1.113 -10.571 184 2HB ARG 26 3HB ARG 26 1.499 1.158 -8.887 185 1HG ARG 26 2HG ARG 26 2.489 -1.037 -9.076 186 2HG ARG 26 3HG ARG 26 1.900 -1.186 -10.736 187 1HD ARG 26 2HD ARG 26 3.265 0.701 -11.421 188 2HD ARG 26 3HD ARG 26 3.804 0.945 -9.760 189 HE ARG 26 HE ARG 26 4.708 -1.088 -11.632 190 1HH1 ARG 26 2HH1 ARG 26 4.672 -0.004 -8.303 191 2HH1 ARG 26 1HH1 ARG 26 6.112 -0.870 -7.867 192 1HH2 ARG 26 2HH2 ARG 26 6.607 -2.202 -11.086 193 2HH2 ARG 26 1HH2 ARG 26 7.241 -2.100 -9.469 194 H VAL 27 H VAL 27 -1.253 -0.157 -6.941 195 HA VAL 27 HA VAL 27 -2.915 2.150 -7.319 196 HB VAL 27 HB VAL 27 -2.364 0.554 -4.815 197 1HG1 VAL 27 1HG1 VAL 27 -3.839 2.984 -5.286 198 2HG1 VAL 27 2HG1 VAL 27 -4.895 1.705 -4.688 199 3HG1 VAL 27 3HG1 VAL 27 -3.465 2.170 -3.767 200 1HG2 VAL 27 1HG2 VAL 27 -4.369 0.269 -7.023 201 2HG2 VAL 27 2HG2 VAL 27 -3.362 -0.966 -6.264 202 3HG2 VAL 27 3HG2 VAL 27 -4.740 -0.294 -5.392 203 H TYR 28 H TYR 28 -2.275 4.227 -7.020 204 HA TYR 28 HA TYR 28 0.170 4.707 -5.504 205 1HB TYR 28 2HB TYR 28 -1.687 6.528 -7.049 206 2HB TYR 28 3HB TYR 28 -0.392 7.149 -6.033 207 HD1 TYR 28 HD1 TYR 28 1.395 7.894 -7.271 208 HD2 TYR 28 HD2 TYR 28 -0.649 4.394 -8.572 209 HE1 TYR 28 HE1 TYR 28 2.982 7.665 -9.133 210 HE2 TYR 28 HE2 TYR 28 0.934 4.159 -10.439 211 HH TYR 28 HH TYR 28 3.116 6.646 -11.326 212 H PHE 29 H PHE 29 0.174 5.980 -3.614 213 HA PHE 29 HA PHE 29 -2.425 6.371 -2.380 214 1HB PHE 29 2HB PHE 29 -1.321 5.777 -0.153 215 2HB PHE 29 3HB PHE 29 -1.841 4.484 -1.210 216 HD1 PHE 29 HD1 PHE 29 0.352 4.174 -3.037 217 HD2 PHE 29 HD2 PHE 29 0.439 5.003 1.122 218 HE1 PHE 29 HE1 PHE 29 2.624 3.262 -2.913 219 HE2 PHE 29 HE2 PHE 29 2.690 4.040 1.268 220 HZ PHE 29 HZ PHE 29 3.628 2.866 -0.532 221 H VAL 30 H VAL 30 -2.701 8.128 -1.197 222 HA VAL 30 HA VAL 30 -0.405 9.912 -0.844 223 HB VAL 30 HB VAL 30 -3.140 10.872 -1.710 224 1HG1 VAL 30 1HG1 VAL 30 -1.558 12.911 -2.268 225 2HG1 VAL 30 2HG1 VAL 30 -2.228 12.674 -0.653 226 3HG1 VAL 30 3HG1 VAL 30 -0.571 12.184 -1.001 227 1HG2 VAL 30 1HG2 VAL 30 -0.822 11.136 -3.535 228 2HG2 VAL 30 2HG2 VAL 30 -1.552 9.538 -3.392 229 3HG2 VAL 30 3HG2 VAL 30 -2.532 10.913 -3.898 230 H ASN 31 H ASN 31 -0.215 10.415 1.212 231 HA ASN 31 HA ASN 31 -2.565 10.229 2.973 232 1HB ASN 31 2HB ASN 31 -0.401 9.061 3.630 233 2HB ASN 31 3HB ASN 31 0.325 10.658 3.779 234 1HD2 ASN 31 1HD2 ASN 31 -0.706 8.295 5.598 235 2HD2 ASN 31 2HD2 ASN 31 -1.384 9.163 6.936 236 H HIS 32 H HIS 32 -3.436 12.123 3.807 237 HA HIS 32 HA HIS 32 -2.170 14.578 2.805 238 1HB HIS 32 2HB HIS 32 -5.045 13.989 3.517 239 2HB HIS 32 3HB HIS 32 -4.447 15.604 3.147 240 HD1 HIS 32 HD1 HIS 32 -3.035 15.547 0.660 241 HD2 HIS 32 HD2 HIS 32 -6.097 12.816 1.338 242 HE1 HIS 32 HE1 HIS 32 -3.752 14.758 -1.609 243 HE2 HIS 32 HE2 HIS 32 -5.704 13.223 -1.192 244 H LYS 33 H LYS 33 -2.976 12.869 5.630 245 HA LYS 33 HA LYS 33 -2.962 15.088 7.469 246 1HB LYS 33 2HB LYS 33 -2.568 12.121 7.920 247 2HB LYS 33 3HB LYS 33 -2.732 13.320 9.195 248 1HG LYS 33 2HG LYS 33 -4.987 13.774 8.583 249 2HG LYS 33 3HG LYS 33 -4.840 12.806 7.116 250 1HD LYS 33 2HD LYS 33 -6.054 11.615 8.890 251 2HD LYS 33 3HD LYS 33 -4.562 10.791 8.437 252 1HE LYS 33 2HE LYS 33 -4.881 10.812 10.863 253 2HE LYS 33 3HE LYS 33 -3.440 11.710 10.391 254 1HZ LYS 33 1HZ LYS 33 -5.188 12.670 12.095 255 2HZ LYS 33 2HZ LYS 33 -5.934 13.210 10.669 256 3HZ LYS 33 3HZ LYS 33 -4.341 13.677 11.023 257 H ASN 34 H ASN 34 -0.726 12.679 6.278 258 HA ASN 34 HA ASN 34 1.484 13.919 7.753 259 1HB ASN 34 2HB ASN 34 1.112 11.510 8.073 260 2HB ASN 34 3HB ASN 34 1.261 11.247 6.342 261 1HD2 ASN 34 1HD2 ASN 34 3.146 10.588 5.656 262 2HD2 ASN 34 2HD2 ASN 34 4.656 10.763 6.482 263 H ARG 35 H ARG 35 0.118 13.766 4.694 264 HA ARG 35 HA ARG 35 0.674 14.516 2.637 265 1HB ARG 35 2HB ARG 35 1.349 16.509 4.012 266 2HB ARG 35 3HB ARG 35 2.994 15.894 3.989 267 1HG ARG 35 2HG ARG 35 3.214 16.246 1.681 268 2HG ARG 35 3HG ARG 35 1.473 16.445 1.464 269 1HD ARG 35 2HD ARG 35 3.321 18.320 2.938 270 2HD ARG 35 3HD ARG 35 2.598 18.599 1.355 271 HE ARG 35 HE ARG 35 1.385 19.053 3.886 272 1HH1 ARG 35 2HH1 ARG 35 0.674 18.148 0.567 273 2HH1 ARG 35 1HH1 ARG 35 -1.024 18.505 0.701 274 1HH2 ARG 35 2HH2 ARG 35 -0.837 19.524 4.058 275 2HH2 ARG 35 1HH2 ARG 35 -1.882 19.267 2.693 276 H THR 36 H THR 36 1.159 12.605 1.716 277 HA THR 36 HA THR 36 3.930 12.110 1.016 278 HB THR 36 HB THR 36 2.368 9.857 2.297 279 HG1 THR 36 HG1 THR 36 3.902 11.861 3.468 280 1HG2 THR 36 1HG2 THR 36 4.172 8.553 1.921 281 2HG2 THR 36 2HG2 THR 36 5.313 9.862 2.228 282 3HG2 THR 36 3HG2 THR 36 4.515 9.739 0.662 283 H THR 37 H THR 37 4.069 11.008 -0.963 284 HA THR 37 HA THR 37 1.571 9.919 -2.047 285 HB THR 37 HB THR 37 3.572 11.436 -3.741 286 HG1 THR 37 HG1 THR 37 2.430 12.872 -2.357 287 1HG2 THR 37 1HG2 THR 37 1.761 9.545 -4.506 288 2HG2 THR 37 2HG2 THR 37 2.355 10.846 -5.541 289 3HG2 THR 37 3HG2 THR 37 0.822 11.029 -4.683 290 H GLN 38 H GLN 38 1.880 7.970 -3.180 291 HA GLN 38 HA GLN 38 4.557 7.043 -3.845 292 1HB GLN 38 2HB GLN 38 3.338 6.523 -1.270 293 2HB GLN 38 3HB GLN 38 3.662 5.024 -2.129 294 1HG GLN 38 2HG GLN 38 5.980 5.513 -2.278 295 2HG GLN 38 3HG GLN 38 5.734 7.163 -1.718 296 1HE2 GLN 38 1HE2 GLN 38 6.479 4.014 -0.829 297 2HE2 GLN 38 2HE2 GLN 38 6.366 4.206 0.887 298 H TRP 39 H TRP 39 4.568 5.177 -5.139 299 HA TRP 39 HA TRP 39 1.919 4.140 -5.895 300 1HB TRP 39 2HB TRP 39 3.061 3.014 -7.785 301 2HB TRP 39 3HB TRP 39 3.246 4.758 -7.829 302 HD1 TRP 39 HD1 TRP 39 5.319 1.643 -6.795 303 HE1 TRP 39 HE1 TRP 39 7.800 2.148 -7.255 304 HE3 TRP 39 HE3 TRP 39 4.872 6.497 -8.331 305 HZ2 TRP 39 HZ2 TRP 39 9.352 4.320 -8.160 306 HZ3 TRP 39 HZ3 TRP 39 6.907 7.717 -8.978 307 HH2 TRP 39 HH2 TRP 39 9.102 6.650 -8.895 308 H GLU 40 H GLU 40 1.308 2.037 -5.373 309 HA GLU 40 HA GLU 40 2.569 -0.216 -4.904 310 1HB GLU 40 2HB GLU 40 4.083 1.110 -3.318 311 2HB GLU 40 3HB GLU 40 2.714 1.173 -2.224 312 1HG GLU 40 2HG GLU 40 2.772 -1.128 -1.832 313 2HG GLU 40 3HG GLU 40 3.785 -1.431 -3.245 314 H ASP 41 H ASP 41 1.332 0.704 -1.908 315 HA ASP 41 HA ASP 41 -1.216 1.161 -1.855 316 1HB ASP 41 2HB ASP 41 -1.762 -0.709 -3.360 317 2HB ASP 41 3HB ASP 41 -1.032 -1.838 -2.223 318 HA PRO 42 HA PRO 42 0.227 0.217 2.291 319 1HB PRO 42 2HB PRO 42 -1.143 2.132 3.589 320 2HB PRO 42 3HB PRO 42 0.268 2.513 2.598 321 1HG PRO 42 2HG PRO 42 -2.608 2.940 2.033 322 2HG PRO 42 3HG PRO 42 -1.202 3.866 1.484 323 1HD PRO 42 2HD PRO 42 -2.629 1.901 0.041 324 2HD PRO 42 3HD PRO 42 -1.108 2.673 -0.441 325 H ARG 43 H ARG 43 -2.460 -0.585 0.812 326 HA ARG 43 HA ARG 43 -4.201 -1.965 1.227 327 1HB ARG 43 2HB ARG 43 -2.771 -2.316 3.841 328 2HB ARG 43 3HB ARG 43 -4.260 -3.167 3.464 329 1HG ARG 43 2HG ARG 43 -1.661 -3.322 1.968 330 2HG ARG 43 3HG ARG 43 -2.331 -4.545 3.049 331 1HD ARG 43 2HD ARG 43 -4.318 -4.651 1.519 332 2HD ARG 43 3HD ARG 43 -3.411 -3.635 0.394 333 HE ARG 43 HE ARG 43 -1.820 -5.815 1.156 334 1HH1 ARG 43 2HH1 ARG 43 -4.631 -5.037 -0.796 335 2HH1 ARG 43 1HH1 ARG 43 -4.503 -6.460 -1.790 336 1HH2 ARG 43 2HH2 ARG 43 -1.651 -7.700 -0.166 337 2HH2 ARG 43 1HH2 ARG 43 -2.786 -7.949 -1.462 338 H THR 44 H THR 44 -3.710 -0.236 4.277 339 HA THR 44 HA THR 44 -5.110 1.055 5.539 340 HB THR 44 HB THR 44 -7.138 1.115 3.301 341 HG1 THR 44 HG1 THR 44 -4.719 2.587 3.586 342 1HG2 THR 44 1HG2 THR 44 -7.693 2.021 5.578 343 2HG2 THR 44 2HG2 THR 44 -7.792 3.205 4.274 344 3HG2 THR 44 3HG2 THR 44 -6.398 3.199 5.355 345 H GLN 45 H GLN 45 -4.981 -1.576 5.821 346 HA GLN 45 HA GLN 45 -7.690 -2.671 5.974 347 1HB GLN 45 2HB GLN 45 -6.683 -4.783 6.528 348 2HB GLN 45 3HB GLN 45 -5.840 -4.111 5.142 349 1HG GLN 45 2HG GLN 45 -4.083 -3.292 6.737 350 2HG GLN 45 3HG GLN 45 -4.889 -4.236 7.989 351 1HE2 GLN 45 1HE2 GLN 45 -4.186 -6.239 8.271 352 2HE2 GLN 45 2HE2 GLN 45 -3.310 -7.178 7.101 353 H GLY 46 H GLY 46 -6.271 -0.489 7.696 354 1HA GLY 46 1HA GLY 46 -6.817 0.322 9.767 355 2HA GLY 46 2HA GLY 46 -7.692 -1.165 10.087 356 H GLN 47 H GLN 47 -5.121 0.687 10.998 357 HA GLN 47 HA GLN 47 -3.634 0.465 12.666 358 1HB GLN 47 2HB GLN 47 -4.770 -2.311 12.971 359 2HB GLN 47 3HB GLN 47 -3.640 -1.561 14.090 360 1HG GLN 47 2HG GLN 47 -5.254 0.192 14.571 361 2HG GLN 47 3HG GLN 47 -6.385 -0.521 13.424 362 1HE2 GLN 47 1HE2 GLN 47 -4.870 -3.058 14.780 363 2HE2 GLN 47 2HE2 GLN 47 -5.948 -3.386 16.093 364 H GLU 48 H GLU 48 -3.631 -2.499 10.692 365 HA GLU 48 HA GLU 48 -0.888 -3.056 11.154 366 1HB GLU 48 2HB GLU 48 -2.818 -4.059 9.059 367 2HB GLU 48 3HB GLU 48 -1.190 -4.692 9.270 368 1HG GLU 48 2HG GLU 48 -3.413 -4.751 11.294 369 2HG GLU 48 3HG GLU 48 -2.782 -6.118 10.374 370 H VAL 49 H VAL 49 -0.498 -3.737 8.200 371 HA VAL 49 HA VAL 49 1.312 -1.895 7.451 372 HB VAL 49 HB VAL 49 0.969 -2.597 5.081 373 1HG1 VAL 49 1HG1 VAL 49 2.470 -3.997 6.046 374 2HG1 VAL 49 2HG1 VAL 49 1.384 -4.440 7.360 375 3HG1 VAL 49 3HG1 VAL 49 1.178 -5.163 5.765 376 1HG2 VAL 49 1HG2 VAL 49 -0.663 -4.317 4.577 377 2HG2 VAL 49 2HG2 VAL 49 -1.266 -4.261 6.233 378 3HG2 VAL 49 3HG2 VAL 49 -1.469 -2.867 5.172 379 H SER 50 H SER 50 -2.018 -1.395 7.448 380 HA SER 50 HA SER 50 -2.541 0.553 5.561 381 1HB SER 50 2HB SER 50 -3.584 0.974 8.292 382 2HB SER 50 3HB SER 50 -4.454 0.796 6.763 383 HG SER 50 HG SER 50 -4.134 -1.021 8.628 384 H LEU 51 H LEU 51 -0.853 0.770 8.649 385 HA LEU 51 HA LEU 51 -0.116 3.547 8.011 386 1HB LEU 51 2HB LEU 51 -0.673 2.449 10.774 387 2HB LEU 51 3HB LEU 51 -0.243 4.101 10.377 388 HG LEU 51 HG LEU 51 -2.787 2.772 9.434 389 1HD1 LEU 51 1HD1 LEU 51 -2.457 3.086 11.976 390 2HD1 LEU 51 2HD1 LEU 51 -2.637 4.806 11.626 391 3HD1 LEU 51 3HD1 LEU 51 -3.939 3.683 11.228 392 1HD2 LEU 51 1HD2 LEU 51 -1.779 5.611 9.398 393 2HD2 LEU 51 2HD2 LEU 51 -2.208 4.596 8.022 394 3HD2 LEU 51 3HD2 LEU 51 -3.463 5.173 9.118 395 H ILE 52 H ILE 52 1.071 0.903 7.568 396 HA ILE 52 HA ILE 52 3.329 0.688 9.365 397 HB ILE 52 HB ILE 52 2.174 -0.892 7.171 398 1HG1 ILE 52 2HG1 ILE 52 1.757 -1.802 9.243 399 2HG1 ILE 52 3HG1 ILE 52 3.213 -2.684 8.787 400 1HG2 ILE 52 1HG2 ILE 52 4.090 -1.012 6.006 401 2HG2 ILE 52 2HG2 ILE 52 5.083 -0.519 7.376 402 3HG2 ILE 52 3HG2 ILE 52 4.513 -2.182 7.256 403 1HD1 ILE 52 1HD1 ILE 52 3.786 -2.075 10.900 404 2HD1 ILE 52 2HD1 ILE 52 4.407 -0.678 10.019 405 3HD1 ILE 52 3HD1 ILE 52 2.853 -0.580 10.846 406 H ASN 53 H ASN 53 2.645 1.764 6.092 407 HA ASN 53 HA ASN 53 4.920 1.869 4.776 408 1HB ASN 53 2HB ASN 53 2.852 2.715 3.844 409 2HB ASN 53 3HB ASN 53 2.952 4.152 4.857 410 1HD2 ASN 53 1HD2 ASN 53 3.464 5.846 3.672 411 2HD2 ASN 53 2HD2 ASN 53 4.617 5.884 2.378 412 H GLU 54 H GLU 54 4.095 4.540 6.976 413 HA GLU 54 HA GLU 54 6.558 5.894 6.522 414 1HB GLU 54 2HB GLU 54 4.375 6.227 8.546 415 2HB GLU 54 3HB GLU 54 5.866 7.150 8.679 416 1HG GLU 54 2HG GLU 54 4.027 7.148 6.298 417 2HG GLU 54 3HG GLU 54 4.088 8.393 7.544 418 H GLY 55 H GLY 55 6.718 3.037 7.547 419 1HA GLY 55 1HA GLY 55 8.833 3.587 9.503 420 2HA GLY 55 2HA GLY 55 7.514 2.528 9.983 421 HA PRO 56 HA PRO 56 11.055 0.223 7.799 422 1HB PRO 56 2HB PRO 56 11.341 -1.191 10.364 423 2HB PRO 56 3HB PRO 56 12.570 -0.395 9.376 424 1HG PRO 56 2HG PRO 56 11.754 0.642 11.714 425 2HG PRO 56 3HG PRO 56 12.194 1.669 10.336 426 1HD PRO 56 2HD PRO 56 9.474 0.877 11.319 427 2HD PRO 56 3HD PRO 56 10.053 2.463 10.766 428 H LEU 57 H LEU 57 8.631 -0.410 7.115 429 HA LEU 57 HA LEU 57 8.576 -3.282 7.135 430 1HB LEU 57 2HB LEU 57 6.558 -1.692 8.657 431 2HB LEU 57 3HB LEU 57 6.036 -3.145 7.829 432 HG LEU 57 HG LEU 57 8.170 -3.020 9.965 433 1HD1 LEU 57 1HD1 LEU 57 6.619 -3.494 11.512 434 2HD1 LEU 57 2HD1 LEU 57 5.490 -2.802 10.346 435 3HD1 LEU 57 3HD1 LEU 57 5.713 -4.551 10.427 436 1HD2 LEU 57 1HD2 LEU 57 6.977 -5.600 9.289 437 2HD2 LEU 57 2HD2 LEU 57 7.916 -4.887 7.976 438 3HD2 LEU 57 3HD2 LEU 57 8.666 -5.162 9.549 439 HA PRO 58 HA PRO 58 6.790 -2.280 3.226 440 1HB PRO 58 2HB PRO 58 6.218 -4.732 2.331 441 2HB PRO 58 3HB PRO 58 7.887 -4.216 2.606 442 1HG PRO 58 2HG PRO 58 6.133 -5.951 4.290 443 2HG PRO 58 3HG PRO 58 7.866 -6.100 3.952 444 1HD PRO 58 2HD PRO 58 6.768 -4.995 6.251 445 2HD PRO 58 3HD PRO 58 8.422 -4.723 5.673 446 HA PRO 59 HA PRO 59 2.348 -2.376 4.038 447 1HB PRO 59 2HB PRO 59 1.726 -0.208 2.596 448 2HB PRO 59 3HB PRO 59 2.515 -0.079 4.171 449 1HG PRO 59 2HG PRO 59 3.650 0.274 1.452 450 2HG PRO 59 3HG PRO 59 4.106 1.057 2.972 451 1HD PRO 59 2HD PRO 59 5.399 -1.131 1.735 452 2HD PRO 59 3HD PRO 59 5.701 -0.499 3.363 453 H GLY 60 H GLY 60 0.782 -3.412 2.937 454 1HA GLY 60 1HA GLY 60 -0.429 -4.318 1.202 455 2HA GLY 60 2HA GLY 60 0.426 -3.225 0.125 456 H TRP 61 H TRP 61 2.162 -5.404 2.149 457 HA TRP 61 HA TRP 61 2.843 -7.036 -0.206 458 1HB TRP 61 2HB TRP 61 4.456 -6.293 2.222 459 2HB TRP 61 3HB TRP 61 4.890 -7.664 1.210 460 HD1 TRP 61 HD1 TRP 61 3.988 -3.950 0.454 461 HE1 TRP 61 HE1 TRP 61 5.752 -3.052 -1.216 462 HE3 TRP 61 HE3 TRP 61 6.771 -8.188 -0.116 463 HZ2 TRP 61 HZ2 TRP 61 8.004 -4.052 -2.606 464 HZ3 TRP 61 HZ3 TRP 61 8.693 -8.154 -1.640 465 HH2 TRP 61 HH2 TRP 61 9.304 -6.124 -2.863 466 H GLU 62 H GLU 62 3.194 -9.325 0.144 467 HA GLU 62 HA GLU 62 1.668 -10.371 2.435 468 1HB GLU 62 2HB GLU 62 1.781 -11.407 -0.411 469 2HB GLU 62 3HB GLU 62 0.836 -12.099 0.899 470 1HG GLU 62 2HG GLU 62 0.448 -9.323 -0.193 471 2HG GLU 62 3HG GLU 62 -0.484 -10.736 -0.688 472 H ILE 63 H ILE 63 2.332 -12.437 3.221 473 HA ILE 63 HA ILE 63 5.117 -13.091 2.586 474 HB ILE 63 HB ILE 63 4.962 -14.736 4.458 475 1HG1 ILE 63 2HG1 ILE 63 2.329 -13.351 5.042 476 2HG1 ILE 63 3HG1 ILE 63 2.488 -14.994 4.427 477 1HG2 ILE 63 1HG2 ILE 63 5.778 -12.319 4.618 478 2HG2 ILE 63 2HG2 ILE 63 4.249 -11.984 5.433 479 3HG2 ILE 63 3HG2 ILE 63 5.383 -13.145 6.126 480 1HD1 ILE 63 1HD1 ILE 63 2.328 -14.230 7.072 481 2HD1 ILE 63 2HD1 ILE 63 2.830 -15.808 6.465 482 3HD1 ILE 63 3HD1 ILE 63 4.042 -14.580 6.835 483 H ARG 64 H ARG 64 5.569 -14.657 1.181 484 HA ARG 64 HA ARG 64 3.519 -16.704 0.679 485 1HB ARG 64 2HB ARG 64 3.558 -15.042 -1.169 486 2HB ARG 64 3HB ARG 64 5.267 -15.379 -1.408 487 1HG ARG 64 2HG ARG 64 3.968 -16.551 -3.056 488 2HG ARG 64 3HG ARG 64 4.706 -17.714 -1.951 489 1HD ARG 64 2HD ARG 64 2.591 -17.860 -0.716 490 2HD ARG 64 3HD ARG 64 1.859 -16.723 -1.847 491 HE ARG 64 HE ARG 64 2.917 -18.879 -3.304 492 1HH1 ARG 64 2HH1 ARG 64 0.341 -18.199 -1.018 493 2HH1 ARG 64 1HH1 ARG 64 -0.710 -19.437 -1.639 494 1HH2 ARG 64 2HH2 ARG 64 1.539 -20.527 -4.111 495 2HH2 ARG 64 1HH2 ARG 64 -0.027 -20.770 -3.380 496 H TYR 65 H TYR 65 4.332 -18.758 0.861 497 HA TYR 65 HA TYR 65 7.137 -19.075 1.457 498 1HB TYR 65 2HB TYR 65 4.837 -21.008 1.201 499 2HB TYR 65 3HB TYR 65 6.491 -21.537 1.480 500 HD1 TYR 65 HD1 TYR 65 4.275 -18.875 2.931 501 HD2 TYR 65 HD2 TYR 65 6.875 -22.162 3.648 502 HE1 TYR 65 HE1 TYR 65 3.974 -18.577 5.355 503 HE2 TYR 65 HE2 TYR 65 6.581 -21.876 6.069 504 HH TYR 65 HH TYR 65 4.308 -19.510 7.387 505 H THR 66 H THR 66 8.610 -19.050 -0.167 506 HA THR 66 HA THR 66 8.051 -19.486 -2.860 507 HB THR 66 HB THR 66 10.152 -18.437 -1.899 508 HG1 THR 66 HG1 THR 66 11.505 -19.400 -3.587 509 1HG2 THR 66 1HG2 THR 66 10.924 -19.928 -0.277 510 2HG2 THR 66 2HG2 THR 66 12.038 -20.173 -1.622 511 3HG2 THR 66 3HG2 THR 66 10.733 -21.326 -1.337 512 H ALA 67 H ALA 67 8.981 -21.362 -4.180 513 HA ALA 67 HA ALA 67 7.644 -23.701 -3.306 514 1HB ALA 67 1HB ALA 67 8.488 -24.711 -5.420 515 2HB ALA 67 2HB ALA 67 7.663 -23.166 -5.637 516 3HB ALA 67 3HB ALA 67 9.425 -23.241 -5.688 517 H ALA 68 H ALA 68 9.755 -23.001 -1.613 518 HA ALA 68 HA ALA 68 11.028 -25.630 -1.472 519 1HB ALA 68 1HB ALA 68 12.689 -24.578 0.120 520 2HB ALA 68 2HB ALA 68 12.878 -24.137 -1.577 521 3HB ALA 68 3HB ALA 68 12.118 -23.011 -0.453 522 H GLY 69 H GLY 69 9.292 -23.004 -0.060 523 1HA GLY 69 1HA GLY 69 7.495 -23.443 1.573 524 2HA GLY 69 2HA GLY 69 8.609 -24.583 2.326 525 H GLU 70 H GLU 70 9.721 -21.603 0.936 526 HA GLU 70 HA GLU 70 10.504 -20.707 3.634 527 1HB GLU 70 2HB GLU 70 11.835 -20.078 1.000 528 2HB GLU 70 3HB GLU 70 12.387 -19.568 2.588 529 1HG GLU 70 2HG GLU 70 12.788 -21.873 3.218 530 2HG GLU 70 3HG GLU 70 12.166 -22.422 1.663 531 H ARG 71 H ARG 71 8.799 -19.372 4.139 532 HA ARG 71 HA ARG 71 7.435 -17.744 2.521 533 1HB ARG 71 2HB ARG 71 6.688 -16.420 4.410 534 2HB ARG 71 3HB ARG 71 6.790 -18.115 4.853 535 1HG ARG 71 2HG ARG 71 9.205 -16.594 5.464 536 2HG ARG 71 3HG ARG 71 7.764 -16.027 6.308 537 1HD ARG 71 2HD ARG 71 8.586 -17.628 7.758 538 2HD ARG 71 3HD ARG 71 7.392 -18.536 6.834 539 HE ARG 71 HE ARG 71 10.011 -18.708 5.695 540 1HH1 ARG 71 2HH1 ARG 71 7.901 -20.008 8.168 541 2HH1 ARG 71 1HH1 ARG 71 8.786 -21.493 8.327 542 1HH2 ARG 71 2HH2 ARG 71 11.206 -20.631 5.927 543 2HH2 ARG 71 1HH2 ARG 71 10.687 -21.843 7.067 544 H PHE 72 H PHE 72 7.684 -16.032 1.367 545 HA PHE 72 HA PHE 72 10.037 -14.289 1.689 546 1HB PHE 72 2HB PHE 72 8.467 -15.246 -0.686 547 2HB PHE 72 3HB PHE 72 9.318 -13.710 -0.780 548 HD1 PHE 72 HD1 PHE 72 10.901 -14.293 -2.460 549 HD2 PHE 72 HD2 PHE 72 10.513 -16.682 1.037 550 HE1 PHE 72 HE1 PHE 72 12.975 -15.481 -3.045 551 HE2 PHE 72 HE2 PHE 72 12.578 -17.881 0.455 552 HZ PHE 72 HZ PHE 72 13.789 -17.277 -1.681 553 H PHE 73 H PHE 73 9.491 -12.080 0.449 554 HA PHE 73 HA PHE 73 6.932 -11.079 1.516 555 1HB PHE 73 2HB PHE 73 9.410 -9.562 0.644 556 2HB PHE 73 3HB PHE 73 7.901 -8.808 1.154 557 HD1 PHE 73 HD1 PHE 73 7.409 -8.498 3.438 558 HD2 PHE 73 HD2 PHE 73 10.726 -10.905 2.287 559 HE1 PHE 73 HE1 PHE 73 8.206 -8.511 5.767 560 HE2 PHE 73 HE2 PHE 73 11.520 -10.931 4.616 561 HZ PHE 73 HZ PHE 73 10.263 -9.731 6.358 562 H VAL 74 H VAL 74 5.495 -10.084 0.036 563 HA VAL 74 HA VAL 74 6.214 -10.308 -2.802 564 HB VAL 74 HB VAL 74 3.737 -11.492 -1.536 565 1HG1 VAL 74 1HG1 VAL 74 2.860 -11.950 -3.643 566 2HG1 VAL 74 2HG1 VAL 74 3.477 -10.303 -3.812 567 3HG1 VAL 74 3HG1 VAL 74 4.401 -11.664 -4.456 568 1HG2 VAL 74 1HG2 VAL 74 5.646 -13.002 -3.256 569 2HG2 VAL 74 2HG2 VAL 74 6.061 -12.694 -1.571 570 3HG2 VAL 74 3HG2 VAL 74 4.590 -13.581 -1.967 571 H ASP 75 H ASP 75 5.884 -8.409 -3.715 572 HA ASP 75 HA ASP 75 3.868 -6.559 -2.723 573 1HB ASP 75 2HB ASP 75 6.084 -5.749 -3.551 574 2HB ASP 75 3HB ASP 75 5.668 -6.341 -5.156 575 H HIS 76 H HIS 76 1.837 -6.522 -3.480 576 HA HIS 76 HA HIS 76 1.183 -8.488 -5.401 577 1HB HIS 76 2HB HIS 76 -1.064 -8.282 -4.624 578 2HB HIS 76 3HB HIS 76 -0.016 -8.131 -3.221 579 HD1 HIS 76 HD1 HIS 76 0.399 -5.517 -2.430 580 HD2 HIS 76 HD2 HIS 76 -2.885 -6.293 -4.871 581 HE1 HIS 76 HE1 HIS 76 -1.076 -3.490 -2.252 582 HE2 HIS 76 HE2 HIS 76 -3.105 -4.015 -3.661 583 H ASN 77 H ASN 77 1.284 -5.001 -5.583 584 HA ASN 77 HA ASN 77 -0.748 -4.792 -7.591 585 1HB ASN 77 2HB ASN 77 0.211 -2.465 -7.897 586 2HB ASN 77 3HB ASN 77 -0.359 -2.850 -6.275 587 1HD2 ASN 77 1HD2 ASN 77 1.007 -2.740 -4.628 588 2HD2 ASN 77 2HD2 ASN 77 2.715 -2.521 -4.751 589 H THR 78 H THR 78 2.763 -5.049 -7.636 590 HA THR 78 HA THR 78 2.667 -5.130 -10.569 591 HB THR 78 HB THR 78 4.168 -3.438 -9.608 592 HG1 THR 78 HG1 THR 78 6.212 -4.842 -10.511 593 1HG2 THR 78 1HG2 THR 78 6.209 -4.155 -8.402 594 2HG2 THR 78 2HG2 THR 78 5.562 -5.795 -8.337 595 3HG2 THR 78 3HG2 THR 78 4.727 -4.485 -7.499 596 H ARG 79 H ARG 79 2.754 -7.110 -7.922 597 HA ARG 79 HA ARG 79 3.194 -9.298 -7.536 598 1HB ARG 79 2HB ARG 79 3.334 -9.383 -10.551 599 2HB ARG 79 3HB ARG 79 3.415 -10.810 -9.531 600 1HG ARG 79 2HG ARG 79 1.106 -8.883 -9.616 601 2HG ARG 79 3HG ARG 79 1.182 -10.424 -10.473 602 1HD ARG 79 2HD ARG 79 1.468 -11.573 -8.299 603 2HD ARG 79 3HD ARG 79 1.270 -10.021 -7.486 604 HE ARG 79 HE ARG 79 -0.979 -10.265 -7.713 605 1HH1 ARG 79 2HH1 ARG 79 0.579 -12.286 -10.136 606 2HH1 ARG 79 1HH1 ARG 79 -0.922 -12.848 -10.805 607 1HH2 ARG 79 2HH2 ARG 79 -2.949 -11.033 -8.592 608 2HH2 ARG 79 1HH2 ARG 79 -2.912 -12.149 -9.928 609 H ARG 80 H ARG 80 5.073 -9.113 -6.430 610 HA ARG 80 HA ARG 80 7.486 -9.920 -7.804 611 1HB ARG 80 2HB ARG 80 7.579 -7.519 -8.185 612 2HB ARG 80 3HB ARG 80 7.299 -7.207 -6.479 613 1HG ARG 80 2HG ARG 80 9.609 -6.850 -6.954 614 2HG ARG 80 3HG ARG 80 9.458 -8.307 -5.970 615 1HD ARG 80 2HD ARG 80 9.667 -9.685 -7.984 616 2HD ARG 80 3HD ARG 80 9.823 -8.229 -8.965 617 HE ARG 80 HE ARG 80 11.776 -8.142 -6.962 618 1HH1 ARG 80 2HH1 ARG 80 11.001 -9.982 -9.850 619 2HH1 ARG 80 1HH1 ARG 80 12.656 -10.441 -10.149 620 1HH2 ARG 80 2HH2 ARG 80 13.940 -8.734 -7.362 621 2HH2 ARG 80 1HH2 ARG 80 14.327 -9.733 -8.730 622 H THR 81 H THR 81 8.215 -11.473 -6.521 623 HA THR 81 HA THR 81 7.840 -11.253 -3.631 624 HB THR 81 HB THR 81 7.152 -13.366 -4.641 625 HG1 THR 81 HG1 THR 81 7.967 -14.497 -3.015 626 1HG2 THR 81 1HG2 THR 81 8.359 -13.846 -6.514 627 2HG2 THR 81 2HG2 THR 81 9.247 -14.842 -5.360 628 3HG2 THR 81 3HG2 THR 81 9.875 -13.260 -5.825 629 H THR 82 H THR 82 9.532 -11.264 -2.178 630 HA THR 82 HA THR 82 12.298 -11.284 -3.132 631 HB THR 82 HB THR 82 11.038 -8.949 -1.666 632 HG1 THR 82 HG1 THR 82 11.157 -9.543 -4.287 633 1HG2 THR 82 1HG2 THR 82 13.558 -9.627 -1.346 634 2HG2 THR 82 2HG2 THR 82 13.108 -7.939 -1.588 635 3HG2 THR 82 3HG2 THR 82 13.738 -8.885 -2.936 636 H PHE 83 H PHE 83 13.673 -12.074 -1.612 637 HA PHE 83 HA PHE 83 12.507 -12.910 0.929 638 1HB PHE 83 2HB PHE 83 13.848 -14.462 -0.560 639 2HB PHE 83 3HB PHE 83 15.271 -13.522 -0.120 640 HD1 PHE 83 HD1 PHE 83 12.432 -14.485 2.065 641 HD2 PHE 83 HD2 PHE 83 16.529 -15.070 1.078 642 HE1 PHE 83 HE1 PHE 83 12.712 -15.875 4.074 643 HE2 PHE 83 HE2 PHE 83 16.814 -16.465 3.082 644 HZ PHE 83 HZ PHE 83 14.906 -16.868 4.584 645 H GLU 84 H GLU 84 15.192 -10.998 -0.309 646 HA GLU 84 HA GLU 84 16.301 -10.410 2.221 647 1HB GLU 84 2HB GLU 84 17.680 -8.762 0.909 648 2HB GLU 84 3HB GLU 84 17.729 -10.421 0.328 649 1HG GLU 84 2HG GLU 84 16.083 -9.845 -1.401 650 2HG GLU 84 3HG GLU 84 16.103 -8.174 -0.841 651 H ASP 85 H ASP 85 13.532 -9.644 2.116 652 HA ASP 85 HA ASP 85 12.166 -8.050 2.951 653 1HB ASP 85 2HB ASP 85 14.782 -6.766 3.758 654 2HB ASP 85 3HB ASP 85 13.202 -6.203 4.286 655 HA PRO 86 HA PRO 86 11.604 -5.168 -0.372 656 1HB PRO 86 2HB PRO 86 9.625 -3.895 1.404 657 2HB PRO 86 3HB PRO 86 9.393 -4.650 -0.175 658 1HG PRO 86 2HG PRO 86 8.512 -5.819 2.060 659 2HG PRO 86 3HG PRO 86 9.181 -6.772 0.722 660 1HD PRO 86 2HD PRO 86 10.485 -5.947 3.295 661 2HD PRO 86 3HD PRO 86 10.527 -7.520 2.466 662 H ARG 87 H ARG 87 11.646 -3.940 2.965 663 HA ARG 87 HA ARG 87 13.449 -1.799 2.089 664 1HB ARG 87 2HB ARG 87 11.023 -0.993 2.333 665 2HB ARG 87 3HB ARG 87 11.228 -1.267 4.057 666 1HG ARG 87 2HG ARG 87 13.325 0.234 3.783 667 2HG ARG 87 3HG ARG 87 12.536 0.753 2.293 668 1HD ARG 87 2HD ARG 87 11.515 0.984 5.109 669 2HD ARG 87 3HD ARG 87 11.905 2.285 3.987 670 HE ARG 87 HE ARG 87 9.881 0.690 2.859 671 1HH1 ARG 87 2HH1 ARG 87 10.403 3.020 5.423 672 2HH1 ARG 87 1HH1 ARG 87 8.729 3.459 5.534 673 1HH2 ARG 87 2HH2 ARG 87 7.675 1.284 3.005 674 2HH2 ARG 87 1HH2 ARG 87 7.185 2.478 4.167 675 HA PRO 88 HA PRO 88 14.975 -4.235 5.733 676 1HB PRO 88 2HB PRO 88 17.614 -3.993 4.985 677 2HB PRO 88 3HB PRO 88 16.558 -5.321 4.494 678 1HG PRO 88 2HG PRO 88 17.323 -2.851 2.993 679 2HG PRO 88 3HG PRO 88 17.161 -4.516 2.404 680 1HD PRO 88 2HD PRO 88 15.254 -2.676 1.969 681 2HD PRO 88 3HD PRO 88 14.854 -4.378 2.274 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -28.185 14.338 7.042 2 2H GLY 1 2H GLY 1 -27.002 14.740 8.185 3 3H GLY 1 3H GLY 1 -28.551 14.278 8.695 4 1HA GLY 1 2HA GLY 1 -26.320 12.650 8.251 5 2HA GLY 1 1HA GLY 1 -27.918 12.183 8.815 6 H SER 2 H SER 2 -25.778 11.221 6.737 7 HA SER 2 HA SER 2 -27.607 9.941 4.996 8 1HB SER 2 2HB SER 2 -27.735 12.163 3.957 9 2HB SER 2 3HB SER 2 -25.979 12.213 3.815 10 HG SER 2 HG SER 2 -26.030 10.777 2.215 11 HA PRO 3 HA PRO 3 -23.961 7.406 5.174 12 1HB PRO 3 2HB PRO 3 -25.339 5.681 3.238 13 2HB PRO 3 3HB PRO 3 -24.855 5.338 4.900 14 1HG PRO 3 2HG PRO 3 -27.434 5.657 4.197 15 2HG PRO 3 3HG PRO 3 -26.818 6.160 5.782 16 1HD PRO 3 2HD PRO 3 -27.408 7.823 3.361 17 2HD PRO 3 3HD PRO 3 -27.733 8.169 5.073 18 H GLU 4 H GLU 4 -22.131 7.358 4.071 19 HA GLU 4 HA GLU 4 -20.582 7.507 2.440 20 1HB GLU 4 2HB GLU 4 -22.908 6.808 0.649 21 2HB GLU 4 3HB GLU 4 -21.249 6.941 0.088 22 1HG GLU 4 2HG GLU 4 -22.144 5.048 2.242 23 2HG GLU 4 3HG GLU 4 -22.021 4.622 0.538 24 H PHE 5 H PHE 5 -19.661 9.342 1.974 25 HA PHE 5 HA PHE 5 -21.281 11.507 0.805 26 1HB PHE 5 2HB PHE 5 -18.742 11.552 2.434 27 2HB PHE 5 3HB PHE 5 -19.268 12.943 1.495 28 HD1 PHE 5 HD1 PHE 5 -20.322 14.582 2.709 29 HD2 PHE 5 HD2 PHE 5 -20.802 10.519 3.880 30 HE1 PHE 5 HE1 PHE 5 -21.733 15.293 4.594 31 HE2 PHE 5 HE2 PHE 5 -22.215 11.224 5.763 32 HZ PHE 5 HZ PHE 5 -22.680 13.664 6.104 33 H HIS 6 H HIS 6 -20.402 9.356 -0.775 34 HA HIS 6 HA HIS 6 -18.757 10.806 -2.686 35 1HB HIS 6 2HB HIS 6 -17.977 8.161 -1.478 36 2HB HIS 6 3HB HIS 6 -17.404 8.651 -3.067 37 HD1 HIS 6 HD1 HIS 6 -16.223 11.196 -2.974 38 HD2 HIS 6 HD2 HIS 6 -16.265 8.886 0.485 39 HE1 HIS 6 HE1 HIS 6 -14.445 12.172 -1.488 40 HE2 HIS 6 HE2 HIS 6 -14.610 10.878 0.666 41 H MET 7 H MET 7 -19.753 7.395 -2.378 42 HA MET 7 HA MET 7 -21.006 6.036 -3.720 43 1HB MET 7 2HB MET 7 -22.347 8.629 -4.451 44 2HB MET 7 3HB MET 7 -22.959 7.041 -4.884 45 1HG MET 7 2HG MET 7 -22.587 8.054 -2.073 46 2HG MET 7 3HG MET 7 -24.115 8.014 -2.951 47 1HE MET 7 1HE MET 7 -23.845 4.229 -3.974 48 2HE MET 7 2HE MET 7 -25.337 4.986 -3.412 49 3HE MET 7 3HE MET 7 -24.261 5.862 -4.500 50 H ASP 8 H ASP 8 -18.588 7.357 -4.678 51 HA ASP 8 HA ASP 8 -18.946 7.937 -7.462 52 1HB ASP 8 2HB ASP 8 -16.647 7.898 -5.558 53 2HB ASP 8 3HB ASP 8 -16.308 7.850 -7.285 54 H ALA 9 H ALA 9 -16.851 6.915 -8.738 55 HA ALA 9 HA ALA 9 -17.440 4.045 -8.877 56 1HB ALA 9 1HB ALA 9 -15.841 5.736 -10.799 57 2HB ALA 9 2HB ALA 9 -16.358 4.068 -11.033 58 3HB ALA 9 3HB ALA 9 -17.554 5.361 -10.975 59 H LEU 10 H LEU 10 -14.698 6.304 -8.802 60 HA LEU 10 HA LEU 10 -12.838 4.210 -8.082 61 1HB LEU 10 2HB LEU 10 -12.592 7.196 -8.342 62 2HB LEU 10 3HB LEU 10 -11.300 6.228 -7.663 63 HG LEU 10 HG LEU 10 -11.330 4.909 -9.842 64 1HD1 LEU 10 1HD1 LEU 10 -12.169 6.276 -11.793 65 2HD1 LEU 10 2HD1 LEU 10 -13.403 5.500 -10.799 66 3HD1 LEU 10 3HD1 LEU 10 -13.082 7.225 -10.617 67 1HD2 LEU 10 1HD2 LEU 10 -10.033 7.257 -9.082 68 2HD2 LEU 10 2HD2 LEU 10 -9.538 6.118 -10.335 69 3HD2 LEU 10 3HD2 LEU 10 -10.524 7.518 -10.757 70 H GLY 11 H GLY 11 -14.576 6.815 -6.502 71 1HA GLY 11 1HA GLY 11 -14.926 7.329 -4.297 72 2HA GLY 11 2HA GLY 11 -14.700 5.612 -3.999 73 HA PRO 12 HA PRO 12 -10.308 7.330 -3.419 74 1HB PRO 12 2HB PRO 12 -9.733 9.912 -3.944 75 2HB PRO 12 3HB PRO 12 -9.730 8.668 -5.199 76 1HG PRO 12 2HG PRO 12 -11.823 10.702 -4.553 77 2HG PRO 12 3HG PRO 12 -11.241 10.152 -6.135 78 1HD PRO 12 2HD PRO 12 -13.556 9.268 -4.970 79 2HD PRO 12 3HD PRO 12 -12.614 8.324 -6.140 80 H LEU 13 H LEU 13 -9.272 9.612 -2.242 81 HA LEU 13 HA LEU 13 -9.081 10.644 -0.234 82 1HB LEU 13 2HB LEU 13 -12.076 10.919 -0.450 83 2HB LEU 13 3HB LEU 13 -11.028 11.860 0.592 84 HG LEU 13 HG LEU 13 -11.014 11.913 -2.427 85 1HD1 LEU 13 1HD1 LEU 13 -12.994 12.949 -1.362 86 2HD1 LEU 13 2HD1 LEU 13 -11.913 14.017 -0.470 87 3HD1 LEU 13 3HD1 LEU 13 -11.979 14.100 -2.230 88 1HD2 LEU 13 1HD2 LEU 13 -9.206 13.264 -2.387 89 2HD2 LEU 13 2HD2 LEU 13 -9.640 13.984 -0.837 90 3HD2 LEU 13 3HD2 LEU 13 -8.872 12.399 -0.889 91 HA PRO 14 HA PRO 14 -10.689 6.820 2.014 92 1HB PRO 14 2HB PRO 14 -8.305 5.634 2.514 93 2HB PRO 14 3HB PRO 14 -9.223 5.350 1.030 94 1HG PRO 14 2HG PRO 14 -6.888 7.156 1.498 95 2HG PRO 14 3HG PRO 14 -7.215 6.082 0.125 96 1HD PRO 14 2HD PRO 14 -7.669 8.758 0.050 97 2HD PRO 14 3HD PRO 14 -8.630 7.589 -0.877 98 H ASP 15 H ASP 15 -8.142 6.212 3.761 99 HA ASP 15 HA ASP 15 -9.063 7.704 6.012 100 1HB ASP 15 2HB ASP 15 -6.643 5.914 5.705 101 2HB ASP 15 3HB ASP 15 -7.234 6.556 7.233 102 H GLY 16 H GLY 16 -6.640 8.228 3.630 103 1HA GLY 16 1HA GLY 16 -5.987 10.806 4.579 104 2HA GLY 16 2HA GLY 16 -4.738 9.670 5.078 105 H TRP 17 H TRP 17 -5.124 8.034 2.666 106 HA TRP 17 HA TRP 17 -3.127 9.163 1.103 107 1HB TRP 17 2HB TRP 17 -5.073 6.929 0.559 108 2HB TRP 17 3HB TRP 17 -3.833 7.389 -0.598 109 HD1 TRP 17 HD1 TRP 17 -4.386 5.336 2.473 110 HE1 TRP 17 HE1 TRP 17 -2.174 4.187 3.131 111 HE3 TRP 17 HE3 TRP 17 -1.193 7.923 -0.557 112 HZ2 TRP 17 HZ2 TRP 17 0.560 4.387 2.489 113 HZ3 TRP 17 HZ3 TRP 17 1.202 7.386 -0.471 114 HH2 TRP 17 HH2 TRP 17 2.061 5.656 1.019 115 H GLU 18 H GLU 18 -3.108 9.831 -1.032 116 HA GLU 18 HA GLU 18 -5.666 10.538 -2.252 117 1HB GLU 18 2HB GLU 18 -4.748 12.621 -1.346 118 2HB GLU 18 3HB GLU 18 -3.233 12.333 -2.191 119 1HG GLU 18 2HG GLU 18 -4.205 12.709 -4.287 120 2HG GLU 18 3HG GLU 18 -5.842 12.568 -3.646 121 H LYS 19 H LYS 19 -5.775 9.241 -3.944 122 HA LYS 19 HA LYS 19 -3.280 8.544 -5.312 123 1HB LYS 19 2HB LYS 19 -4.548 6.493 -6.041 124 2HB LYS 19 3HB LYS 19 -4.223 6.621 -4.321 125 1HG LYS 19 2HG LYS 19 -6.595 7.620 -4.175 126 2HG LYS 19 3HG LYS 19 -6.819 6.906 -5.773 127 1HD LYS 19 2HD LYS 19 -6.075 5.472 -3.222 128 2HD LYS 19 3HD LYS 19 -7.597 5.346 -4.106 129 1HE LYS 19 2HE LYS 19 -6.435 4.339 -5.993 130 2HE LYS 19 3HE LYS 19 -4.895 4.513 -5.156 131 1HZ LYS 19 1HZ LYS 19 -5.281 2.454 -4.437 132 2HZ LYS 19 2HZ LYS 19 -6.927 2.505 -4.858 133 3HZ LYS 19 3HZ LYS 19 -6.415 3.146 -3.376 134 H LYS 20 H LYS 20 -2.993 8.815 -7.432 135 HA LYS 20 HA LYS 20 -5.250 9.747 -9.063 136 1HB LYS 20 2HB LYS 20 -4.022 11.746 -8.429 137 2HB LYS 20 3HB LYS 20 -2.504 11.012 -8.920 138 1HG LYS 20 2HG LYS 20 -3.222 11.022 -11.240 139 2HG LYS 20 3HG LYS 20 -4.785 11.693 -10.767 140 1HD LYS 20 2HD LYS 20 -3.693 13.705 -9.939 141 2HD LYS 20 3HD LYS 20 -2.113 13.025 -10.328 142 1HE LYS 20 2HE LYS 20 -4.281 13.556 -12.351 143 2HE LYS 20 3HE LYS 20 -2.959 14.666 -12.000 144 1HZ LYS 20 1HZ LYS 20 -1.565 12.487 -12.491 145 2HZ LYS 20 2HZ LYS 20 -2.045 13.548 -13.726 146 3HZ LYS 20 3HZ LYS 20 -2.925 12.129 -13.442 147 H ILE 21 H ILE 21 -5.359 8.673 -11.022 148 HA ILE 21 HA ILE 21 -3.292 6.717 -11.546 149 HB ILE 21 HB ILE 21 -5.517 5.932 -11.818 150 1HG1 ILE 21 2HG1 ILE 21 -4.302 6.337 -14.559 151 2HG1 ILE 21 3HG1 ILE 21 -3.807 5.102 -13.407 152 1HG2 ILE 21 1HG2 ILE 21 -5.892 8.412 -13.409 153 2HG2 ILE 21 2HG2 ILE 21 -6.832 6.986 -13.851 154 3HG2 ILE 21 3HG2 ILE 21 -6.954 7.653 -12.221 155 1HD1 ILE 21 1HD1 ILE 21 -6.204 5.243 -15.129 156 2HD1 ILE 21 2HD1 ILE 21 -5.203 3.864 -14.678 157 3HD1 ILE 21 3HD1 ILE 21 -6.389 4.503 -13.540 158 H GLN 22 H GLN 22 -1.500 7.277 -12.572 159 HA GLN 22 HA GLN 22 -1.258 9.517 -14.295 160 1HB GLN 22 2HB GLN 22 0.653 8.672 -13.050 161 2HB GLN 22 3HB GLN 22 0.524 7.110 -13.844 162 1HG GLN 22 2HG GLN 22 1.079 8.168 -15.983 163 2HG GLN 22 3HG GLN 22 1.246 9.718 -15.161 164 1HE2 GLN 22 1HE2 GLN 22 3.235 10.255 -14.743 165 2HE2 GLN 22 2HE2 GLN 22 4.545 9.171 -14.407 166 H SER 23 H SER 23 -0.817 9.486 -16.577 167 HA SER 23 HA SER 23 -2.618 8.048 -18.123 168 1HB SER 23 2HB SER 23 -1.060 8.843 -20.046 169 2HB SER 23 3HB SER 23 -1.880 10.044 -19.049 170 HG SER 23 HG SER 23 0.790 9.124 -18.647 171 H ASP 24 H ASP 24 0.260 6.895 -16.843 172 HA ASP 24 HA ASP 24 0.908 4.925 -18.871 173 1HB ASP 24 2HB ASP 24 2.500 5.858 -17.069 174 2HB ASP 24 3HB ASP 24 1.652 4.808 -15.942 175 H ASN 25 H ASN 25 -1.104 5.360 -16.193 176 HA ASN 25 HA ASN 25 -3.133 4.289 -15.677 177 1HB ASN 25 2HB ASN 25 -1.894 1.843 -16.965 178 2HB ASN 25 3HB ASN 25 -3.409 1.821 -16.071 179 1HD2 ASN 25 1HD2 ASN 25 -3.487 4.732 -17.461 180 2HD2 ASN 25 2HD2 ASN 25 -4.259 4.346 -18.958 181 H ARG 26 H ARG 26 -0.576 4.775 -14.416 182 HA ARG 26 HA ARG 26 -0.508 2.636 -12.387 183 1HB ARG 26 2HB ARG 26 1.504 4.855 -12.794 184 2HB ARG 26 3HB ARG 26 1.660 3.470 -11.723 185 1HG ARG 26 2HG ARG 26 1.615 2.007 -13.745 186 2HG ARG 26 3HG ARG 26 1.693 3.469 -14.729 187 1HD ARG 26 2HD ARG 26 3.724 2.566 -12.692 188 2HD ARG 26 3HD ARG 26 3.905 2.512 -14.443 189 HE ARG 26 HE ARG 26 3.377 5.160 -13.686 190 1HH1 ARG 26 2HH1 ARG 26 5.890 2.744 -13.433 191 2HH1 ARG 26 1HH1 ARG 26 7.181 3.904 -13.295 192 1HH2 ARG 26 2HH2 ARG 26 5.053 6.697 -13.496 193 2HH2 ARG 26 1HH2 ARG 26 6.703 6.160 -13.346 194 H VAL 27 H VAL 27 -1.693 3.095 -10.584 195 HA VAL 27 HA VAL 27 -2.590 5.742 -10.095 196 HB VAL 27 HB VAL 27 -2.709 3.413 -8.178 197 1HG1 VAL 27 1HG1 VAL 27 -3.393 6.002 -7.764 198 2HG1 VAL 27 2HG1 VAL 27 -4.919 5.332 -8.344 199 3HG1 VAL 27 3HG1 VAL 27 -4.124 4.627 -6.936 200 1HG2 VAL 27 1HG2 VAL 27 -3.648 3.201 -10.667 201 2HG2 VAL 27 2HG2 VAL 27 -4.472 2.490 -9.280 202 3HG2 VAL 27 3HG2 VAL 27 -5.016 4.035 -9.932 203 H TYR 28 H TYR 28 -1.232 7.300 -9.340 204 HA TYR 28 HA TYR 28 0.985 6.604 -7.633 205 1HB TYR 28 2HB TYR 28 -0.128 9.207 -8.662 206 2HB TYR 28 3HB TYR 28 1.070 9.189 -7.374 207 HD1 TYR 28 HD1 TYR 28 3.168 9.724 -8.114 208 HD2 TYR 28 HD2 TYR 28 0.665 7.383 -10.632 209 HE1 TYR 28 HE1 TYR 28 4.973 9.599 -9.779 210 HE2 TYR 28 HE2 TYR 28 2.463 7.244 -12.300 211 HH TYR 28 HH TYR 28 5.275 9.197 -12.153 212 H PHE 29 H PHE 29 1.164 7.308 -5.457 213 HA PHE 29 HA PHE 29 -1.363 7.968 -4.186 214 1HB PHE 29 2HB PHE 29 -0.570 6.503 -2.232 215 2HB PHE 29 3HB PHE 29 -1.309 5.735 -3.623 216 HD1 PHE 29 HD1 PHE 29 0.273 4.681 -5.354 217 HD2 PHE 29 HD2 PHE 29 1.458 5.782 -1.423 218 HE1 PHE 29 HE1 PHE 29 2.104 3.045 -5.448 219 HE2 PHE 29 HE2 PHE 29 3.297 4.159 -1.517 220 HZ PHE 29 HZ PHE 29 3.618 2.780 -3.529 221 H VAL 30 H VAL 30 -1.268 9.426 -2.645 222 HA VAL 30 HA VAL 30 1.385 10.481 -1.932 223 HB VAL 30 HB VAL 30 -1.147 12.119 -2.193 224 1HG1 VAL 30 1HG1 VAL 30 1.161 12.671 -0.849 225 2HG1 VAL 30 2HG1 VAL 30 1.456 13.429 -2.416 226 3HG1 VAL 30 3HG1 VAL 30 0.033 13.875 -1.473 227 1HG2 VAL 30 1HG2 VAL 30 1.093 12.273 -4.168 228 2HG2 VAL 30 2HG2 VAL 30 -0.193 11.082 -4.366 229 3HG2 VAL 30 3HG2 VAL 30 -0.582 12.802 -4.329 230 H ASN 31 H ASN 31 1.749 10.533 0.203 231 HA ASN 31 HA ASN 31 -0.571 10.233 1.987 232 1HB ASN 31 2HB ASN 31 1.196 8.468 2.191 233 2HB ASN 31 3HB ASN 31 2.358 9.728 2.589 234 1HD2 ASN 31 1HD2 ASN 31 2.806 9.678 4.658 235 2HD2 ASN 31 2HD2 ASN 31 1.671 9.397 5.945 236 H HIS 32 H HIS 32 -1.096 12.005 3.099 237 HA HIS 32 HA HIS 32 0.529 14.344 2.623 238 1HB HIS 32 2HB HIS 32 -2.250 13.932 3.699 239 2HB HIS 32 3HB HIS 32 -1.464 15.506 3.780 240 HD1 HIS 32 HD1 HIS 32 -0.478 16.279 1.264 241 HD2 HIS 32 HD2 HIS 32 -3.696 13.642 1.423 242 HE1 HIS 32 HE1 HIS 32 -1.567 16.396 -0.999 243 HE2 HIS 32 HE2 HIS 32 -3.593 14.906 -0.842 244 H LYS 33 H LYS 33 0.256 12.104 5.084 245 HA LYS 33 HA LYS 33 0.631 13.745 7.344 246 1HB LYS 33 2HB LYS 33 -0.081 11.364 7.430 247 2HB LYS 33 3HB LYS 33 1.542 10.886 6.951 248 1HG LYS 33 2HG LYS 33 1.295 10.618 9.323 249 2HG LYS 33 3HG LYS 33 2.424 11.935 9.000 250 1HD LYS 33 2HD LYS 33 0.578 13.547 9.349 251 2HD LYS 33 3HD LYS 33 -0.480 12.201 9.773 252 1HE LYS 33 2HE LYS 33 2.061 12.953 11.216 253 2HE LYS 33 3HE LYS 33 0.427 13.338 11.756 254 1HZ LYS 33 1HZ LYS 33 1.549 11.305 12.752 255 2HZ LYS 33 2HZ LYS 33 1.270 10.546 11.263 256 3HZ LYS 33 3HZ LYS 33 -0.035 11.108 12.181 257 H ASN 34 H ASN 34 2.970 12.094 5.199 258 HA ASN 34 HA ASN 34 5.068 13.757 6.422 259 1HB ASN 34 2HB ASN 34 5.274 11.072 5.050 260 2HB ASN 34 3HB ASN 34 6.673 12.077 5.412 261 1HD2 ASN 34 1HD2 ASN 34 7.656 11.687 7.243 262 2HD2 ASN 34 2HD2 ASN 34 6.971 10.888 8.624 263 H ARG 35 H ARG 35 3.131 13.413 3.747 264 HA ARG 35 HA ARG 35 3.027 14.371 1.718 265 1HB ARG 35 2HB ARG 35 3.805 16.400 2.974 266 2HB ARG 35 3HB ARG 35 5.449 15.992 2.505 267 1HG ARG 35 2HG ARG 35 4.957 16.326 0.199 268 2HG ARG 35 3HG ARG 35 3.230 16.483 0.537 269 1HD ARG 35 2HD ARG 35 5.418 18.352 1.433 270 2HD ARG 35 3HD ARG 35 4.209 18.670 0.189 271 HE ARG 35 HE ARG 35 2.861 18.033 2.550 272 1HH1 ARG 35 2HH1 ARG 35 4.920 20.556 1.279 273 2HH1 ARG 35 1HH1 ARG 35 4.262 21.792 2.309 274 1HH2 ARG 35 2HH2 ARG 35 1.986 19.644 3.902 275 2HH2 ARG 35 1HH2 ARG 35 2.594 21.270 3.816 276 H THR 36 H THR 36 3.658 12.187 1.148 277 HA THR 36 HA THR 36 6.138 12.178 -0.453 278 HB THR 36 HB THR 36 5.074 9.713 0.938 279 HG1 THR 36 HG1 THR 36 7.010 10.201 2.372 280 1HG2 THR 36 1HG2 THR 36 7.888 10.281 0.053 281 2HG2 THR 36 2HG2 THR 36 6.683 9.628 -1.057 282 3HG2 THR 36 3HG2 THR 36 7.130 8.724 0.390 283 H THR 37 H THR 37 5.890 11.198 -2.567 284 HA THR 37 HA THR 37 3.184 10.195 -3.124 285 HB THR 37 HB THR 37 4.906 11.798 -5.032 286 HG1 THR 37 HG1 THR 37 3.031 13.330 -4.666 287 1HG2 THR 37 1HG2 THR 37 3.559 10.907 -6.577 288 2HG2 THR 37 2HG2 THR 37 2.266 11.878 -5.872 289 3HG2 THR 37 3HG2 THR 37 2.495 10.207 -5.356 290 H GLN 38 H GLN 38 3.098 8.401 -4.468 291 HA GLN 38 HA GLN 38 5.588 7.287 -5.568 292 1HB GLN 38 2HB GLN 38 3.801 5.897 -3.566 293 2HB GLN 38 3HB GLN 38 5.045 5.086 -4.505 294 1HG GLN 38 2HG GLN 38 6.746 6.514 -3.459 295 2HG GLN 38 3HG GLN 38 5.484 7.278 -2.491 296 1HE2 GLN 38 1HE2 GLN 38 5.167 6.479 -0.558 297 2HE2 GLN 38 2HE2 GLN 38 5.603 4.886 -0.024 298 H TRP 39 H TRP 39 5.255 5.743 -7.218 299 HA TRP 39 HA TRP 39 2.576 5.775 -8.373 300 1HB TRP 39 2HB TRP 39 3.723 4.634 -10.324 301 2HB TRP 39 3HB TRP 39 4.252 6.274 -9.977 302 HD1 TRP 39 HD1 TRP 39 5.458 2.678 -9.077 303 HE1 TRP 39 HE1 TRP 39 8.031 2.679 -9.141 304 HE3 TRP 39 HE3 TRP 39 6.239 7.611 -10.163 305 HZ2 TRP 39 HZ2 TRP 39 10.112 4.526 -9.593 306 HZ3 TRP 39 HZ3 TRP 39 8.551 8.416 -10.395 307 HH2 TRP 39 HH2 TRP 39 10.446 6.902 -10.117 308 H GLU 40 H GLU 40 1.501 3.853 -9.039 309 HA GLU 40 HA GLU 40 1.347 1.502 -9.283 310 1HB GLU 40 2HB GLU 40 3.473 1.422 -7.529 311 2HB GLU 40 3HB GLU 40 2.152 0.752 -6.579 312 1HG GLU 40 2HG GLU 40 3.131 -0.211 -9.253 313 2HG GLU 40 3HG GLU 40 3.320 -1.022 -7.698 314 H ASP 41 H ASP 41 1.129 1.515 -5.833 315 HA ASP 41 HA ASP 41 -1.332 2.570 -5.238 316 1HB ASP 41 2HB ASP 41 -2.269 0.944 -6.885 317 2HB ASP 41 3HB ASP 41 -1.583 -0.374 -5.942 318 HA PRO 42 HA PRO 42 0.607 0.896 -1.571 319 1HB PRO 42 2HB PRO 42 -0.471 2.545 0.245 320 2HB PRO 42 3HB PRO 42 0.704 3.110 -0.946 321 1HG PRO 42 2HG PRO 42 -2.201 3.586 -0.799 322 2HG PRO 42 3HG PRO 42 -0.937 4.550 -1.580 323 1HD PRO 42 2HD PRO 42 -2.724 2.659 -2.780 324 2HD PRO 42 3HD PRO 42 -1.465 3.622 -3.578 325 H ARG 43 H ARG 43 -1.868 -0.385 -2.574 326 HA ARG 43 HA ARG 43 -3.264 -2.034 -1.899 327 1HB ARG 43 2HB ARG 43 -1.396 -2.749 -0.474 328 2HB ARG 43 3HB ARG 43 -1.940 -1.663 0.795 329 1HG ARG 43 2HG ARG 43 -3.912 -2.952 1.152 330 2HG ARG 43 3HG ARG 43 -3.582 -3.943 -0.272 331 1HD ARG 43 2HD ARG 43 -1.851 -3.798 2.196 332 2HD ARG 43 3HD ARG 43 -3.001 -5.085 1.835 333 HE ARG 43 HE ARG 43 -0.351 -4.860 0.856 334 1HH1 ARG 43 2HH1 ARG 43 -3.571 -5.865 -0.119 335 2HH1 ARG 43 1HH1 ARG 43 -2.998 -6.964 -1.341 336 1HH2 ARG 43 2HH2 ARG 43 0.398 -6.269 -0.785 337 2HH2 ARG 43 1HH2 ARG 43 -0.745 -7.172 -1.740 338 H THR 44 H THR 44 -5.315 -2.288 -1.058 339 HA THR 44 HA THR 44 -6.645 0.154 -0.278 340 HB THR 44 HB THR 44 -7.908 -2.583 -0.511 341 HG1 THR 44 HG1 THR 44 -6.873 -0.875 -2.444 342 1HG2 THR 44 1HG2 THR 44 -9.399 -1.009 0.486 343 2HG2 THR 44 2HG2 THR 44 -9.878 -1.155 -1.204 344 3HG2 THR 44 3HG2 THR 44 -8.949 0.244 -0.669 345 H GLN 45 H GLN 45 -5.020 -0.110 1.637 346 HA GLN 45 HA GLN 45 -5.882 -1.778 3.821 347 1HB GLN 45 2HB GLN 45 -4.108 -0.269 5.016 348 2HB GLN 45 3HB GLN 45 -3.594 -1.493 3.867 349 1HG GLN 45 2HG GLN 45 -2.406 0.670 3.638 350 2HG GLN 45 3HG GLN 45 -3.223 0.151 2.167 351 1HE2 GLN 45 1HE2 GLN 45 -2.856 2.626 4.479 352 2HE2 GLN 45 2HE2 GLN 45 -4.081 3.691 3.864 353 H GLY 46 H GLY 46 -4.995 0.707 5.507 354 1HA GLY 46 1HA GLY 46 -7.067 2.608 5.279 355 2HA GLY 46 2HA GLY 46 -7.365 1.524 6.641 356 H GLN 47 H GLN 47 -5.130 1.019 7.765 357 HA GLN 47 HA GLN 47 -3.604 3.523 8.102 358 1HB GLN 47 2HB GLN 47 -4.625 1.692 10.270 359 2HB GLN 47 3HB GLN 47 -3.324 2.842 10.539 360 1HG GLN 47 2HG GLN 47 -6.043 3.638 9.535 361 2HG GLN 47 3HG GLN 47 -5.619 3.577 11.244 362 1HE2 GLN 47 1HE2 GLN 47 -2.811 4.430 9.962 363 2HE2 GLN 47 2HE2 GLN 47 -2.968 6.150 9.941 364 H GLU 48 H GLU 48 -3.063 1.202 6.476 365 HA GLU 48 HA GLU 48 -1.336 -0.083 5.832 366 1HB GLU 48 2HB GLU 48 0.038 1.660 7.846 367 2HB GLU 48 3HB GLU 48 0.894 0.298 7.141 368 1HG GLU 48 2HG GLU 48 1.500 2.139 5.846 369 2HG GLU 48 3HG GLU 48 0.300 1.283 4.881 370 H VAL 49 H VAL 49 0.566 -0.461 8.413 371 HA VAL 49 HA VAL 49 0.751 -2.967 8.804 372 HB VAL 49 HB VAL 49 0.333 -1.174 11.197 373 1HG1 VAL 49 1HG1 VAL 49 2.317 -3.363 11.232 374 2HG1 VAL 49 2HG1 VAL 49 1.300 -2.728 12.526 375 3HG1 VAL 49 3HG1 VAL 49 0.619 -3.829 11.327 376 1HG2 VAL 49 1HG2 VAL 49 1.950 -0.425 9.367 377 2HG2 VAL 49 2HG2 VAL 49 2.564 -0.502 11.019 378 3HG2 VAL 49 3HG2 VAL 49 2.954 -1.785 9.873 379 H SER 50 H SER 50 -1.779 -1.382 10.693 380 HA SER 50 HA SER 50 -3.026 -3.457 11.844 381 1HB SER 50 2HB SER 50 -5.246 -2.086 11.317 382 2HB SER 50 3HB SER 50 -4.012 -1.459 12.412 383 HG SER 50 HG SER 50 -3.414 -0.011 10.959 384 H LEU 51 H LEU 51 -3.419 -2.584 8.468 385 HA LEU 51 HA LEU 51 -5.239 -4.812 7.970 386 1HB LEU 51 2HB LEU 51 -5.558 -2.579 6.883 387 2HB LEU 51 3HB LEU 51 -4.042 -2.809 6.042 388 HG LEU 51 HG LEU 51 -6.261 -3.258 4.795 389 1HD1 LEU 51 1HD1 LEU 51 -5.242 -4.981 3.440 390 2HD1 LEU 51 2HD1 LEU 51 -4.043 -3.772 3.901 391 3HD1 LEU 51 3HD1 LEU 51 -4.085 -5.335 4.721 392 1HD2 LEU 51 1HD2 LEU 51 -6.706 -5.842 5.046 393 2HD2 LEU 51 2HD2 LEU 51 -6.134 -5.544 6.688 394 3HD2 LEU 51 3HD2 LEU 51 -7.530 -4.662 6.067 395 H ILE 52 H ILE 52 -1.912 -3.816 7.437 396 HA ILE 52 HA ILE 52 -1.252 -6.052 5.716 397 HB ILE 52 HB ILE 52 0.901 -4.552 7.152 398 1HG1 ILE 52 2HG1 ILE 52 -0.559 -2.713 6.540 399 2HG1 ILE 52 3HG1 ILE 52 0.805 -2.755 5.430 400 1HG2 ILE 52 1HG2 ILE 52 1.099 -6.443 5.383 401 2HG2 ILE 52 2HG2 ILE 52 0.762 -5.155 4.229 402 3HG2 ILE 52 3HG2 ILE 52 2.168 -5.046 5.288 403 1HD1 ILE 52 1HD1 ILE 52 -0.570 -2.826 3.710 404 2HD1 ILE 52 2HD1 ILE 52 -1.282 -4.323 4.317 405 3HD1 ILE 52 3HD1 ILE 52 -1.944 -2.765 4.817 406 H ASN 53 H ASN 53 -2.418 -7.058 7.986 407 HA ASN 53 HA ASN 53 -2.205 -8.513 9.723 408 1HB ASN 53 2HB ASN 53 0.089 -9.333 7.947 409 2HB ASN 53 3HB ASN 53 -0.510 -10.310 9.284 410 1HD2 ASN 53 1HD2 ASN 53 -0.672 -9.877 6.046 411 2HD2 ASN 53 2HD2 ASN 53 -2.219 -10.591 5.728 412 H GLU 54 H GLU 54 -1.103 -6.106 10.501 413 HA GLU 54 HA GLU 54 0.343 -5.109 11.957 414 1HB GLU 54 2HB GLU 54 -1.061 -6.812 13.293 415 2HB GLU 54 3HB GLU 54 0.417 -7.762 13.368 416 1HG GLU 54 2HG GLU 54 1.559 -6.017 14.532 417 2HG GLU 54 3HG GLU 54 0.206 -4.913 14.302 418 H GLY 55 H GLY 55 1.662 -5.871 9.795 419 1HA GLY 55 1HA GLY 55 4.278 -6.794 10.729 420 2HA GLY 55 2HA GLY 55 3.511 -7.487 9.306 421 HA PRO 56 HA PRO 56 6.302 -4.808 7.069 422 1HB PRO 56 2HB PRO 56 4.492 -4.806 4.846 423 2HB PRO 56 3HB PRO 56 6.002 -5.701 5.026 424 1HG PRO 56 2HG PRO 56 3.224 -6.599 5.443 425 2HG PRO 56 3HG PRO 56 4.675 -7.547 5.071 426 1HD PRO 56 2HD PRO 56 3.509 -7.600 7.504 427 2HD PRO 56 3HD PRO 56 5.269 -7.741 7.299 428 H LEU 57 H LEU 57 6.380 -2.748 7.601 429 HA LEU 57 HA LEU 57 4.180 -1.161 8.176 430 1HB LEU 57 2HB LEU 57 6.299 -0.747 9.197 431 2HB LEU 57 3HB LEU 57 7.053 -0.456 7.642 432 HG LEU 57 HG LEU 57 5.644 1.570 7.393 433 1HD1 LEU 57 1HD1 LEU 57 4.068 0.543 9.314 434 2HD1 LEU 57 2HD1 LEU 57 5.049 1.651 10.273 435 3HD1 LEU 57 3HD1 LEU 57 4.120 2.257 8.901 436 1HD2 LEU 57 1HD2 LEU 57 7.078 2.922 8.608 437 2HD2 LEU 57 2HD2 LEU 57 7.166 1.784 9.954 438 3HD2 LEU 57 3HD2 LEU 57 8.001 1.426 8.442 439 HA PRO 58 HA PRO 58 4.998 1.230 4.024 440 1HB PRO 58 2HB PRO 58 6.168 -0.879 2.314 441 2HB PRO 58 3HB PRO 58 6.598 0.829 2.453 442 1HG PRO 58 2HG PRO 58 8.169 -1.078 3.473 443 2HG PRO 58 3HG PRO 58 7.948 0.476 4.301 444 1HD PRO 58 2HD PRO 58 6.710 -2.183 4.896 445 2HD PRO 58 3HD PRO 58 7.335 -0.955 6.015 446 HA PRO 59 HA PRO 59 1.186 -0.635 2.826 447 1HB PRO 59 2HB PRO 59 0.328 1.340 1.178 448 2HB PRO 59 3HB PRO 59 0.329 1.489 2.940 449 1HG PRO 59 2HG PRO 59 2.317 2.522 0.953 450 2HG PRO 59 3HG PRO 59 1.614 3.341 2.361 451 1HD PRO 59 2HD PRO 59 4.075 2.234 2.411 452 2HD PRO 59 3HD PRO 59 3.022 2.274 3.840 453 H GLY 60 H GLY 60 0.688 -2.093 1.364 454 1HA GLY 60 1HA GLY 60 0.291 -2.744 -0.934 455 2HA GLY 60 2HA GLY 60 1.712 -1.813 -1.390 456 H TRP 61 H TRP 61 2.478 -3.352 1.377 457 HA TRP 61 HA TRP 61 3.892 -5.498 -0.025 458 1HB TRP 61 2HB TRP 61 4.029 -4.473 2.799 459 2HB TRP 61 3HB TRP 61 4.782 -5.981 2.314 460 HD1 TRP 61 HD1 TRP 61 5.032 -2.195 1.594 461 HE1 TRP 61 HE1 TRP 61 7.512 -1.698 1.004 462 HE3 TRP 61 HE3 TRP 61 6.820 -6.973 1.345 463 HZ2 TRP 61 HZ2 TRP 61 9.833 -3.116 0.418 464 HZ3 TRP 61 HZ3 TRP 61 9.179 -7.313 0.740 465 HH2 TRP 61 HH2 TRP 61 10.653 -5.422 0.283 466 H GLU 62 H GLU 62 3.566 -7.678 0.451 467 HA GLU 62 HA GLU 62 1.273 -8.341 2.174 468 1HB GLU 62 2HB GLU 62 0.714 -8.383 -0.283 469 2HB GLU 62 3HB GLU 62 1.933 -9.633 -0.485 470 1HG GLU 62 2HG GLU 62 0.696 -11.120 0.958 471 2HG GLU 62 3HG GLU 62 -0.495 -9.859 1.276 472 H ILE 63 H ILE 63 1.486 -10.359 3.300 473 HA ILE 63 HA ILE 63 4.238 -11.405 3.234 474 HB ILE 63 HB ILE 63 3.682 -12.497 5.438 475 1HG1 ILE 63 2HG1 ILE 63 1.392 -10.517 5.425 476 2HG1 ILE 63 3HG1 ILE 63 1.211 -12.258 5.240 477 1HG2 ILE 63 1HG2 ILE 63 3.785 -10.169 6.635 478 2HG2 ILE 63 2HG2 ILE 63 5.132 -10.736 5.646 479 3HG2 ILE 63 3HG2 ILE 63 3.985 -9.567 4.990 480 1HD1 ILE 63 1HD1 ILE 63 2.741 -11.473 7.596 481 2HD1 ILE 63 2HD1 ILE 63 1.073 -10.900 7.589 482 3HD1 ILE 63 3HD1 ILE 63 1.413 -12.623 7.430 483 H ARG 64 H ARG 64 4.599 -13.279 2.355 484 HA ARG 64 HA ARG 64 2.332 -15.086 1.867 485 1HB ARG 64 2HB ARG 64 3.726 -14.328 -0.086 486 2HB ARG 64 3HB ARG 64 5.086 -15.187 0.622 487 1HG ARG 64 2HG ARG 64 3.991 -17.286 0.360 488 2HG ARG 64 3HG ARG 64 2.483 -16.500 -0.113 489 1HD ARG 64 2HD ARG 64 3.515 -17.303 -2.101 490 2HD ARG 64 3HD ARG 64 3.692 -15.551 -2.084 491 HE ARG 64 HE ARG 64 5.941 -15.845 -2.143 492 1HH1 ARG 64 2HH1 ARG 64 4.499 -18.789 -0.901 493 2HH1 ARG 64 1HH1 ARG 64 6.012 -19.637 -0.787 494 1HH2 ARG 64 2HH2 ARG 64 7.941 -16.975 -2.009 495 2HH2 ARG 64 1HH2 ARG 64 7.965 -18.609 -1.393 496 H TYR 65 H TYR 65 2.130 -16.809 3.128 497 HA TYR 65 HA TYR 65 4.169 -17.421 5.061 498 1HB TYR 65 2HB TYR 65 1.505 -18.736 4.474 499 2HB TYR 65 3HB TYR 65 2.553 -19.176 5.814 500 HD1 TYR 65 HD1 TYR 65 1.055 -16.063 4.380 501 HD2 TYR 65 HD2 TYR 65 1.957 -18.307 7.882 502 HE1 TYR 65 HE1 TYR 65 -0.001 -14.326 5.761 503 HE2 TYR 65 HE2 TYR 65 0.896 -16.578 9.270 504 HH TYR 65 HH TYR 65 -1.157 -14.310 8.137 505 H THR 66 H THR 66 5.756 -18.832 4.834 506 HA THR 66 HA THR 66 5.499 -20.874 2.720 507 HB THR 66 HB THR 66 7.984 -21.148 2.938 508 HG1 THR 66 HG1 THR 66 7.736 -18.710 4.418 509 1HG2 THR 66 1HG2 THR 66 7.717 -19.977 1.040 510 2HG2 THR 66 2HG2 THR 66 8.252 -18.591 1.988 511 3HG2 THR 66 3HG2 THR 66 6.530 -18.894 1.765 512 H ALA 67 H ALA 67 5.531 -22.977 3.284 513 HA ALA 67 HA ALA 67 4.660 -23.944 5.542 514 1HB ALA 67 1HB ALA 67 5.444 -25.116 3.311 515 2HB ALA 67 2HB ALA 67 6.756 -25.663 4.351 516 3HB ALA 67 3HB ALA 67 5.084 -26.032 4.771 517 H ALA 68 H ALA 68 8.027 -23.032 5.206 518 HA ALA 68 HA ALA 68 8.998 -24.395 7.511 519 1HB ALA 68 1HB ALA 68 10.557 -23.656 5.852 520 2HB ALA 68 2HB ALA 68 10.037 -21.983 6.037 521 3HB ALA 68 3HB ALA 68 10.900 -22.788 7.347 522 H GLY 69 H GLY 69 6.842 -21.882 7.208 523 1HA GLY 69 1HA GLY 69 5.682 -20.980 9.041 524 2HA GLY 69 2HA GLY 69 7.097 -21.244 10.049 525 H GLU 70 H GLU 70 7.915 -19.862 7.078 526 HA GLU 70 HA GLU 70 8.374 -17.328 8.445 527 1HB GLU 70 2HB GLU 70 10.283 -18.517 7.433 528 2HB GLU 70 3HB GLU 70 9.509 -18.409 5.860 529 1HG GLU 70 2HG GLU 70 11.217 -16.744 6.009 530 2HG GLU 70 3HG GLU 70 9.646 -15.951 5.996 531 H ARG 71 H ARG 71 7.408 -15.480 7.894 532 HA ARG 71 HA ARG 71 5.515 -15.540 5.661 533 1HB ARG 71 2HB ARG 71 5.881 -13.510 7.873 534 2HB ARG 71 3HB ARG 71 4.667 -13.409 6.606 535 1HG ARG 71 2HG ARG 71 3.463 -14.271 8.363 536 2HG ARG 71 3HG ARG 71 3.923 -15.733 7.489 537 1HD ARG 71 2HD ARG 71 5.793 -16.065 9.030 538 2HD ARG 71 3HD ARG 71 5.338 -14.601 9.902 539 HE ARG 71 HE ARG 71 3.173 -16.436 9.766 540 1HH1 ARG 71 2HH1 ARG 71 6.206 -15.859 11.414 541 2HH1 ARG 71 1HH1 ARG 71 5.720 -16.672 12.865 542 1HH2 ARG 71 2HH2 ARG 71 2.513 -17.480 11.685 543 2HH2 ARG 71 1HH2 ARG 71 3.628 -17.616 13.016 544 H PHE 72 H PHE 72 6.712 -15.211 3.845 545 HA PHE 72 HA PHE 72 8.886 -13.423 3.674 546 1HB PHE 72 2HB PHE 72 7.130 -14.658 1.542 547 2HB PHE 72 3HB PHE 72 8.524 -13.656 1.168 548 HD1 PHE 72 HD1 PHE 72 9.431 -15.540 -0.124 549 HD2 PHE 72 HD2 PHE 72 8.743 -15.822 4.063 550 HE1 PHE 72 HE1 PHE 72 10.874 -17.530 -0.024 551 HE2 PHE 72 HE2 PHE 72 10.179 -17.809 4.170 552 HZ PHE 72 HZ PHE 72 11.237 -18.671 2.132 553 H PHE 73 H PHE 73 8.967 -11.468 2.311 554 HA PHE 73 HA PHE 73 6.472 -9.931 2.612 555 1HB PHE 73 2HB PHE 73 9.323 -8.970 2.329 556 2HB PHE 73 3HB PHE 73 7.910 -7.926 2.414 557 HD1 PHE 73 HD1 PHE 73 6.747 -7.574 4.489 558 HD2 PHE 73 HD2 PHE 73 10.143 -10.123 4.288 559 HE1 PHE 73 HE1 PHE 73 6.952 -7.487 6.938 560 HE2 PHE 73 HE2 PHE 73 10.352 -10.042 6.733 561 HZ PHE 73 HZ PHE 73 8.759 -8.719 8.061 562 H VAL 74 H VAL 74 5.544 -9.062 0.840 563 HA VAL 74 HA VAL 74 6.939 -9.427 -1.728 564 HB VAL 74 HB VAL 74 3.950 -9.709 -1.380 565 1HG1 VAL 74 1HG1 VAL 74 3.917 -10.455 -3.620 566 2HG1 VAL 74 2HG1 VAL 74 4.928 -9.010 -3.603 567 3HG1 VAL 74 3HG1 VAL 74 5.674 -10.606 -3.676 568 1HG2 VAL 74 1HG2 VAL 74 5.532 -11.517 -0.301 569 2HG2 VAL 74 2HG2 VAL 74 4.091 -11.988 -1.201 570 3HG2 VAL 74 3HG2 VAL 74 5.677 -12.063 -1.971 571 H ASP 75 H ASP 75 7.431 -7.469 -2.409 572 HA ASP 75 HA ASP 75 5.756 -5.170 -1.780 573 1HB ASP 75 2HB ASP 75 8.121 -4.763 -1.637 574 2HB ASP 75 3HB ASP 75 8.404 -5.487 -3.215 575 H HIS 76 H HIS 76 4.177 -4.478 -3.133 576 HA HIS 76 HA HIS 76 4.145 -5.666 -5.803 577 1HB HIS 76 2HB HIS 76 1.970 -4.439 -4.111 578 2HB HIS 76 3HB HIS 76 1.727 -4.905 -5.790 579 HD1 HIS 76 HD1 HIS 76 2.918 -6.580 -2.570 580 HD2 HIS 76 HD2 HIS 76 0.795 -7.421 -6.047 581 HE1 HIS 76 HE1 HIS 76 2.107 -8.950 -2.316 582 HE2 HIS 76 HE2 HIS 76 0.826 -9.445 -4.433 583 H ASN 77 H ASN 77 5.312 -2.955 -4.539 584 HA ASN 77 HA ASN 77 4.182 -1.005 -6.345 585 1HB ASN 77 2HB ASN 77 6.586 -0.919 -4.512 586 2HB ASN 77 3HB ASN 77 6.094 0.426 -5.530 587 1HD2 ASN 77 1HD2 ASN 77 3.528 -1.448 -4.266 588 2HD2 ASN 77 2HD2 ASN 77 3.075 -0.379 -2.993 589 H THR 78 H THR 78 7.210 -2.819 -6.037 590 HA THR 78 HA THR 78 7.710 -2.264 -8.896 591 HB THR 78 HB THR 78 9.905 -2.705 -6.872 592 HG1 THR 78 HG1 THR 78 9.005 -0.833 -6.143 593 1HG2 THR 78 1HG2 THR 78 11.200 -1.405 -8.600 594 2HG2 THR 78 2HG2 THR 78 9.793 -1.542 -9.655 595 3HG2 THR 78 3HG2 THR 78 10.646 -2.995 -9.127 596 H ARG 79 H ARG 79 6.641 -4.515 -6.945 597 HA ARG 79 HA ARG 79 6.467 -6.776 -6.952 598 1HB ARG 79 2HB ARG 79 7.689 -6.422 -9.689 599 2HB ARG 79 3HB ARG 79 7.155 -7.977 -9.069 600 1HG ARG 79 2HG ARG 79 5.407 -5.561 -9.469 601 2HG ARG 79 3HG ARG 79 5.504 -6.950 -10.550 602 1HD ARG 79 2HD ARG 79 4.484 -6.875 -7.720 603 2HD ARG 79 3HD ARG 79 3.575 -7.234 -9.187 604 HE ARG 79 HE ARG 79 5.717 -9.082 -8.799 605 1HH1 ARG 79 2HH1 ARG 79 2.416 -8.324 -7.910 606 2HH1 ARG 79 1HH1 ARG 79 2.076 -9.930 -7.330 607 1HH2 ARG 79 2HH2 ARG 79 5.272 -11.198 -8.005 608 2HH2 ARG 79 1HH2 ARG 79 3.698 -11.542 -7.341 609 H ARG 80 H ARG 80 7.752 -7.425 -5.302 610 HA ARG 80 HA ARG 80 10.103 -8.884 -5.964 611 1HB ARG 80 2HB ARG 80 10.921 -6.470 -5.899 612 2HB ARG 80 3HB ARG 80 10.575 -6.498 -4.176 613 1HG ARG 80 2HG ARG 80 12.890 -6.935 -4.446 614 2HG ARG 80 3HG ARG 80 12.122 -8.456 -3.984 615 1HD ARG 80 2HD ARG 80 13.750 -8.772 -5.793 616 2HD ARG 80 3HD ARG 80 12.113 -9.179 -6.308 617 HE ARG 80 HE ARG 80 12.241 -7.523 -7.866 618 1HH1 ARG 80 2HH1 ARG 80 14.757 -6.980 -5.491 619 2HH1 ARG 80 1HH1 ARG 80 15.356 -5.542 -6.258 620 1HH2 ARG 80 2HH2 ARG 80 13.011 -5.631 -8.877 621 2HH2 ARG 80 1HH2 ARG 80 14.364 -4.774 -8.192 622 H THR 81 H THR 81 10.072 -10.581 -4.639 623 HA THR 81 HA THR 81 8.789 -10.311 -2.015 624 HB THR 81 HB THR 81 9.740 -12.798 -3.460 625 HG1 THR 81 HG1 THR 81 7.788 -11.397 -4.206 626 1HG2 THR 81 1HG2 THR 81 7.961 -12.514 -1.036 627 2HG2 THR 81 2HG2 THR 81 9.638 -13.058 -1.013 628 3HG2 THR 81 3HG2 THR 81 8.410 -14.024 -1.828 629 H THR 82 H THR 82 9.939 -10.672 -0.100 630 HA THR 82 HA THR 82 12.775 -11.357 -0.223 631 HB THR 82 HB THR 82 13.005 -9.242 1.375 632 HG1 THR 82 HG1 THR 82 11.511 -7.834 -0.399 633 1HG2 THR 82 1HG2 THR 82 13.519 -7.921 -0.843 634 2HG2 THR 82 2HG2 THR 82 13.269 -9.505 -1.580 635 3HG2 THR 82 3HG2 THR 82 14.514 -9.289 -0.348 636 H PHE 83 H PHE 83 13.625 -12.018 1.731 637 HA PHE 83 HA PHE 83 11.813 -13.198 3.528 638 1HB PHE 83 2HB PHE 83 14.797 -12.783 3.680 639 2HB PHE 83 3HB PHE 83 13.894 -13.671 4.902 640 HD1 PHE 83 HD1 PHE 83 14.617 -13.597 1.265 641 HD2 PHE 83 HD2 PHE 83 13.476 -15.954 4.615 642 HE1 PHE 83 HE1 PHE 83 14.805 -15.631 -0.104 643 HE2 PHE 83 HE2 PHE 83 13.668 -17.990 3.256 644 HZ PHE 83 HZ PHE 83 14.360 -17.859 0.937 645 H GLU 84 H GLU 84 13.735 -10.242 3.740 646 HA GLU 84 HA GLU 84 12.052 -9.218 5.846 647 1HB GLU 84 2HB GLU 84 14.215 -8.886 7.323 648 2HB GLU 84 3HB GLU 84 13.255 -10.355 7.419 649 1HG GLU 84 2HG GLU 84 15.421 -11.151 7.335 650 2HG GLU 84 3HG GLU 84 14.889 -11.289 5.664 651 H ASP 85 H ASP 85 12.550 -8.114 3.353 652 HA ASP 85 HA ASP 85 14.626 -6.166 3.454 653 1HB ASP 85 2HB ASP 85 13.597 -6.994 1.332 654 2HB ASP 85 3HB ASP 85 12.152 -6.067 1.725 655 HA PRO 86 HA PRO 86 11.325 -2.983 4.708 656 1HB PRO 86 2HB PRO 86 8.819 -3.743 5.386 657 2HB PRO 86 3HB PRO 86 9.295 -3.387 3.724 658 1HG PRO 86 2HG PRO 86 8.853 -6.002 5.052 659 2HG PRO 86 3HG PRO 86 8.563 -5.526 3.371 660 1HD PRO 86 2HD PRO 86 10.753 -6.982 4.298 661 2HD PRO 86 3HD PRO 86 10.650 -6.148 2.739 662 H ARG 87 H ARG 87 9.138 -4.409 6.834 663 HA ARG 87 HA ARG 87 10.584 -3.704 9.141 664 1HB ARG 87 2HB ARG 87 8.150 -3.930 9.188 665 2HB ARG 87 3HB ARG 87 8.287 -5.654 8.862 666 1HG ARG 87 2HG ARG 87 9.640 -5.801 11.007 667 2HG ARG 87 3HG ARG 87 9.077 -4.164 11.346 668 1HD ARG 87 2HD ARG 87 7.170 -6.383 10.696 669 2HD ARG 87 3HD ARG 87 7.769 -6.136 12.335 670 HE ARG 87 HE ARG 87 6.748 -3.707 11.325 671 1HH1 ARG 87 2HH1 ARG 87 5.686 -6.871 12.395 672 2HH1 ARG 87 1HH1 ARG 87 4.109 -6.322 12.881 673 1HH2 ARG 87 2HH2 ARG 87 4.660 -2.980 11.980 674 2HH2 ARG 87 1HH2 ARG 87 3.555 -4.106 12.708 675 HA PRO 88 HA PRO 88 13.530 -7.030 9.264 676 1HB PRO 88 2HB PRO 88 13.738 -6.269 12.122 677 2HB PRO 88 3HB PRO 88 14.996 -6.349 10.885 678 1HG PRO 88 2HG PRO 88 14.081 -4.002 11.759 679 2HG PRO 88 3HG PRO 88 14.493 -4.250 10.051 680 1HD PRO 88 2HD PRO 88 11.801 -4.197 11.361 681 2HD PRO 88 3HD PRO 88 12.308 -3.514 9.803 Start of MODEL 6 1 1H GLY 1 1H GLY 1 -22.084 6.187 -8.862 2 2H GLY 1 2H GLY 1 -21.133 7.534 -9.243 3 3H GLY 1 3H GLY 1 -21.594 7.251 -7.639 4 1HA GLY 1 2HA GLY 1 -20.164 5.068 -8.877 5 2HA GLY 1 1HA GLY 1 -19.229 6.547 -8.698 6 H SER 2 H SER 2 -18.850 4.016 -7.367 7 HA SER 2 HA SER 2 -18.503 3.071 -5.344 8 1HB SER 2 2HB SER 2 -17.687 4.626 -3.550 9 2HB SER 2 3HB SER 2 -16.865 4.797 -5.097 10 HG SER 2 HG SER 2 -19.044 6.427 -4.881 11 HA PRO 3 HA PRO 3 -22.850 3.688 -3.878 12 1HB PRO 3 2HB PRO 3 -23.518 1.062 -3.950 13 2HB PRO 3 3HB PRO 3 -23.616 2.114 -5.367 14 1HG PRO 3 2HG PRO 3 -21.485 0.158 -4.602 15 2HG PRO 3 3HG PRO 3 -22.216 0.452 -6.191 16 1HD PRO 3 2HD PRO 3 -19.800 1.460 -5.471 17 2HD PRO 3 3HD PRO 3 -20.894 2.287 -6.598 18 H GLU 4 H GLU 4 -21.088 4.101 -2.057 19 HA GLU 4 HA GLU 4 -20.820 1.945 -0.142 20 1HB GLU 4 2HB GLU 4 -20.124 4.873 0.153 21 2HB GLU 4 3HB GLU 4 -19.608 3.569 1.210 22 1HG GLU 4 2HG GLU 4 -18.865 3.782 -1.697 23 2HG GLU 4 3HG GLU 4 -17.870 4.368 -0.366 24 H PHE 5 H PHE 5 -22.711 1.396 0.805 25 HA PHE 5 HA PHE 5 -24.861 3.066 1.228 26 1HB PHE 5 2HB PHE 5 -25.498 1.312 3.036 27 2HB PHE 5 3HB PHE 5 -25.385 0.809 1.355 28 HD1 PHE 5 HD1 PHE 5 -23.295 0.980 4.450 29 HD2 PHE 5 HD2 PHE 5 -24.195 -1.081 0.842 30 HE1 PHE 5 HE1 PHE 5 -21.720 -0.801 5.080 31 HE2 PHE 5 HE2 PHE 5 -22.621 -2.864 1.464 32 HZ PHE 5 HZ PHE 5 -21.380 -2.727 3.584 33 H HIS 6 H HIS 6 -25.114 4.776 2.434 34 HA HIS 6 HA HIS 6 -24.859 6.351 4.044 35 1HB HIS 6 2HB HIS 6 -24.251 3.928 5.752 36 2HB HIS 6 3HB HIS 6 -24.351 5.564 6.399 37 HD1 HIS 6 HD1 HIS 6 -26.314 3.870 7.682 38 HD2 HIS 6 HD2 HIS 6 -27.081 5.511 3.939 39 HE1 HIS 6 HE1 HIS 6 -28.819 3.872 7.441 40 HE2 HIS 6 HE2 HIS 6 -29.262 5.027 5.238 41 H MET 7 H MET 7 -22.911 6.189 2.309 42 HA MET 7 HA MET 7 -20.644 6.298 1.846 43 1HB MET 7 2HB MET 7 -19.799 8.451 2.734 44 2HB MET 7 3HB MET 7 -21.413 8.551 2.056 45 1HG MET 7 2HG MET 7 -22.355 8.516 4.319 46 2HG MET 7 3HG MET 7 -20.725 8.446 4.985 47 1HE MET 7 1HE MET 7 -19.269 10.884 2.793 48 2HE MET 7 2HE MET 7 -19.154 11.747 4.326 49 3HE MET 7 3HE MET 7 -18.934 9.998 4.281 50 H ASP 8 H ASP 8 -19.082 7.778 4.119 51 HA ASP 8 HA ASP 8 -18.493 5.888 6.111 52 1HB ASP 8 2HB ASP 8 -17.549 4.586 4.239 53 2HB ASP 8 3HB ASP 8 -16.515 5.946 3.821 54 H ALA 9 H ALA 9 -17.057 6.733 7.626 55 HA ALA 9 HA ALA 9 -16.725 9.574 7.507 56 1HB ALA 9 1HB ALA 9 -15.961 7.482 9.525 57 2HB ALA 9 2HB ALA 9 -15.552 9.186 9.728 58 3HB ALA 9 3HB ALA 9 -17.242 8.691 9.624 59 H LEU 10 H LEU 10 -14.589 6.786 7.247 60 HA LEU 10 HA LEU 10 -12.177 8.192 7.438 61 1HB LEU 10 2HB LEU 10 -12.666 5.572 6.026 62 2HB LEU 10 3HB LEU 10 -11.124 6.169 6.610 63 HG LEU 10 HG LEU 10 -13.484 5.366 8.312 64 1HD1 LEU 10 1HD1 LEU 10 -12.264 3.497 7.284 65 2HD1 LEU 10 2HD1 LEU 10 -10.767 4.105 7.991 66 3HD1 LEU 10 3HD1 LEU 10 -12.070 3.542 9.037 67 1HD2 LEU 10 1HD2 LEU 10 -10.973 6.813 8.921 68 2HD2 LEU 10 2HD2 LEU 10 -12.564 6.931 9.674 69 3HD2 LEU 10 3HD2 LEU 10 -11.503 5.577 10.064 70 H GLY 11 H GLY 11 -14.375 7.920 4.807 71 1HA GLY 11 1HA GLY 11 -14.302 8.795 2.683 72 2HA GLY 11 2HA GLY 11 -12.873 9.688 3.190 73 HA PRO 12 HA PRO 12 -10.715 7.049 0.231 74 1HB PRO 12 2HB PRO 12 -8.331 8.158 1.567 75 2HB PRO 12 3HB PRO 12 -8.792 8.228 -0.135 76 1HG PRO 12 2HG PRO 12 -8.888 10.397 1.446 77 2HG PRO 12 3HG PRO 12 -10.071 10.125 0.151 78 1HD PRO 12 2HD PRO 12 -10.354 9.702 3.101 79 2HD PRO 12 3HD PRO 12 -11.523 10.367 1.941 80 H LEU 13 H LEU 13 -9.778 5.071 0.452 81 HA LEU 13 HA LEU 13 -10.206 3.485 2.566 82 1HB LEU 13 2HB LEU 13 -7.878 3.275 0.668 83 2HB LEU 13 3HB LEU 13 -8.369 1.994 1.759 84 HG LEU 13 HG LEU 13 -10.092 3.144 -0.440 85 1HD1 LEU 13 1HD1 LEU 13 -9.046 1.777 -1.838 86 2HD1 LEU 13 2HD1 LEU 13 -7.964 1.258 -0.544 87 3HD1 LEU 13 3HD1 LEU 13 -9.485 0.406 -0.817 88 1HD2 LEU 13 1HD2 LEU 13 -11.739 1.659 0.160 89 2HD2 LEU 13 2HD2 LEU 13 -10.614 0.573 0.977 90 3HD2 LEU 13 3HD2 LEU 13 -11.090 2.090 1.742 91 HA PRO 14 HA PRO 14 -5.906 4.065 4.623 92 1HB PRO 14 2HB PRO 14 -4.710 6.486 3.506 93 2HB PRO 14 3HB PRO 14 -4.030 4.864 3.647 94 1HG PRO 14 2HG PRO 14 -4.717 5.922 1.268 95 2HG PRO 14 3HG PRO 14 -4.874 4.189 1.611 96 1HD PRO 14 2HD PRO 14 -6.982 6.324 1.640 97 2HD PRO 14 3HD PRO 14 -7.051 4.685 0.955 98 H ASP 15 H ASP 15 -7.934 6.735 3.900 99 HA ASP 15 HA ASP 15 -8.901 8.382 5.148 100 1HB ASP 15 2HB ASP 15 -9.108 6.615 6.856 101 2HB ASP 15 3HB ASP 15 -7.536 7.063 7.501 102 H GLY 16 H GLY 16 -5.518 7.842 5.587 103 1HA GLY 16 1HA GLY 16 -5.090 10.700 6.182 104 2HA GLY 16 2HA GLY 16 -3.879 9.443 6.417 105 H TRP 17 H TRP 17 -4.461 8.068 4.019 106 HA TRP 17 HA TRP 17 -3.195 9.871 2.105 107 1HB TRP 17 2HB TRP 17 -3.336 6.857 2.240 108 2HB TRP 17 3HB TRP 17 -2.679 7.738 0.865 109 HD1 TRP 17 HD1 TRP 17 -1.924 6.940 4.538 110 HE1 TRP 17 HE1 TRP 17 0.555 7.478 4.975 111 HE3 TRP 17 HE3 TRP 17 -0.782 9.066 0.051 112 HZ2 TRP 17 HZ2 TRP 17 2.739 8.591 3.559 113 HZ3 TRP 17 HZ3 TRP 17 1.512 9.838 -0.340 114 HH2 TRP 17 HH2 TRP 17 3.242 9.616 1.381 115 H GLU 18 H GLU 18 -3.672 9.252 -0.133 116 HA GLU 18 HA GLU 18 -6.351 8.224 -0.607 117 1HB GLU 18 2HB GLU 18 -6.548 10.716 -0.727 118 2HB GLU 18 3HB GLU 18 -5.351 10.711 -2.016 119 1HG GLU 18 2HG GLU 18 -6.811 9.489 -3.460 120 2HG GLU 18 3HG GLU 18 -7.978 9.254 -2.157 121 H LYS 19 H LYS 19 -6.044 6.517 -1.856 122 HA LYS 19 HA LYS 19 -3.779 6.564 -3.724 123 1HB LYS 19 2HB LYS 19 -3.720 4.037 -3.445 124 2HB LYS 19 3HB LYS 19 -3.086 5.012 -2.132 125 1HG LYS 19 2HG LYS 19 -5.240 4.690 -0.932 126 2HG LYS 19 3HG LYS 19 -5.736 3.588 -2.223 127 1HD LYS 19 2HD LYS 19 -4.783 2.411 -0.253 128 2HD LYS 19 3HD LYS 19 -3.882 2.113 -1.742 129 1HE LYS 19 2HE LYS 19 -2.252 3.839 -1.067 130 2HE LYS 19 3HE LYS 19 -3.138 4.064 0.439 131 1HZ LYS 19 1HZ LYS 19 -1.512 2.620 1.083 132 2HZ LYS 19 2HZ LYS 19 -1.445 1.816 -0.411 133 3HZ LYS 19 3HZ LYS 19 -2.730 1.514 0.668 134 H LYS 20 H LYS 20 -4.142 6.093 -5.777 135 HA LYS 20 HA LYS 20 -6.761 4.976 -6.527 136 1HB LYS 20 2HB LYS 20 -5.337 7.297 -7.841 137 2HB LYS 20 3HB LYS 20 -6.751 6.494 -8.516 138 1HG LYS 20 2HG LYS 20 -8.025 7.129 -6.506 139 2HG LYS 20 3HG LYS 20 -6.611 8.000 -5.914 140 1HD LYS 20 2HD LYS 20 -6.686 9.450 -7.886 141 2HD LYS 20 3HD LYS 20 -8.106 8.576 -8.470 142 1HE LYS 20 2HE LYS 20 -7.909 10.163 -5.909 143 2HE LYS 20 3HE LYS 20 -8.758 10.652 -7.374 144 1HZ LYS 20 1HZ LYS 20 -9.434 8.226 -5.792 145 2HZ LYS 20 2HZ LYS 20 -10.311 8.873 -7.093 146 3HZ LYS 20 3HZ LYS 20 -10.222 9.719 -5.626 147 H ILE 21 H ILE 21 -6.547 3.188 -7.736 148 HA ILE 21 HA ILE 21 -3.869 2.503 -8.669 149 HB ILE 21 HB ILE 21 -4.784 0.846 -7.270 150 1HG1 ILE 21 2HG1 ILE 21 -5.095 -1.140 -8.786 151 2HG1 ILE 21 3HG1 ILE 21 -5.077 -0.028 -10.149 152 1HG2 ILE 21 1HG2 ILE 21 -6.968 -0.228 -7.654 153 2HG2 ILE 21 2HG2 ILE 21 -7.099 1.493 -7.304 154 3HG2 ILE 21 3HG2 ILE 21 -7.275 0.916 -8.960 155 1HD1 ILE 21 1HD1 ILE 21 -2.822 -0.301 -8.180 156 2HD1 ILE 21 2HD1 ILE 21 -2.920 -1.182 -9.704 157 3HD1 ILE 21 3HD1 ILE 21 -2.816 0.578 -9.709 158 H GLN 22 H GLN 22 -3.286 2.675 -10.720 159 HA GLN 22 HA GLN 22 -5.320 2.726 -12.816 160 1HB GLN 22 2HB GLN 22 -3.621 4.501 -12.832 161 2HB GLN 22 3HB GLN 22 -2.349 3.292 -12.923 162 1HG GLN 22 2HG GLN 22 -2.742 4.294 -15.088 163 2HG GLN 22 3HG GLN 22 -3.166 2.584 -15.107 164 1HE2 GLN 22 1HE2 GLN 22 -4.118 5.599 -16.004 165 2HE2 GLN 22 2HE2 GLN 22 -5.811 5.306 -16.246 166 H SER 23 H SER 23 -5.312 1.279 -14.501 167 HA SER 23 HA SER 23 -4.947 -1.355 -13.816 168 1HB SER 23 2HB SER 23 -5.117 -0.283 -16.635 169 2HB SER 23 3HB SER 23 -5.628 -1.874 -16.066 170 HG SER 23 HG SER 23 -6.927 -0.315 -14.525 171 H ASP 24 H ASP 24 -2.481 0.730 -14.774 172 HA ASP 24 HA ASP 24 -0.820 -1.338 -15.983 173 1HB ASP 24 2HB ASP 24 0.893 0.433 -16.066 174 2HB ASP 24 3HB ASP 24 -0.570 0.860 -16.938 175 H ASN 25 H ASN 25 -1.838 -0.958 -13.094 176 HA ASN 25 HA ASN 25 -1.245 -1.860 -11.114 177 1HB ASN 25 2HB ASN 25 1.406 -2.320 -12.475 178 2HB ASN 25 3HB ASN 25 1.094 -2.783 -10.808 179 1HD2 ASN 25 1HD2 ASN 25 -1.801 -3.163 -12.259 180 2HD2 ASN 25 2HD2 ASN 25 -1.669 -4.813 -12.754 181 H ARG 26 H ARG 26 -0.700 1.004 -12.029 182 HA ARG 26 HA ARG 26 1.221 1.734 -9.917 183 1HB ARG 26 2HB ARG 26 0.065 3.454 -12.119 184 2HB ARG 26 3HB ARG 26 1.263 3.968 -10.942 185 1HG ARG 26 2HG ARG 26 1.679 1.772 -12.965 186 2HG ARG 26 3HG ARG 26 2.213 3.439 -13.160 187 1HD ARG 26 2HD ARG 26 4.079 2.145 -12.423 188 2HD ARG 26 3HD ARG 26 3.574 3.182 -11.091 189 HE ARG 26 HE ARG 26 2.267 0.783 -10.715 190 1HH1 ARG 26 2HH1 ARG 26 5.622 1.750 -11.020 191 2HH1 ARG 26 1HH1 ARG 26 6.186 0.568 -9.872 192 1HH2 ARG 26 2HH2 ARG 26 3.023 -0.759 -9.201 193 2HH2 ARG 26 1HH2 ARG 26 4.724 -0.834 -8.845 194 H VAL 27 H VAL 27 0.544 2.666 -8.048 195 HA VAL 27 HA VAL 27 -2.240 3.558 -7.975 196 HB VAL 27 HB VAL 27 -0.579 2.740 -5.596 197 1HG1 VAL 27 1HG1 VAL 27 -3.457 3.527 -5.940 198 2HG1 VAL 27 2HG1 VAL 27 -2.860 2.689 -4.507 199 3HG1 VAL 27 3HG1 VAL 27 -2.229 4.282 -4.923 200 1HG2 VAL 27 1HG2 VAL 27 -1.087 0.817 -7.083 201 2HG2 VAL 27 2HG2 VAL 27 -1.817 0.694 -5.482 202 3HG2 VAL 27 3HG2 VAL 27 -2.805 1.161 -6.868 203 H TYR 28 H TYR 28 -2.458 5.765 -7.573 204 HA TYR 28 HA TYR 28 0.094 7.119 -7.026 205 1HB TYR 28 2HB TYR 28 -2.617 8.305 -7.700 206 2HB TYR 28 3HB TYR 28 -1.128 9.215 -7.487 207 HD1 TYR 28 HD1 TYR 28 -0.013 9.864 -9.413 208 HD2 TYR 28 HD2 TYR 28 -2.399 6.342 -9.507 209 HE1 TYR 28 HE1 TYR 28 0.470 9.612 -11.811 210 HE2 TYR 28 HE2 TYR 28 -1.924 6.081 -11.902 211 HH TYR 28 HH TYR 28 -0.351 8.566 -13.755 212 H PHE 29 H PHE 29 0.386 8.214 -5.083 213 HA PHE 29 HA PHE 29 -1.867 8.046 -3.227 214 1HB PHE 29 2HB PHE 29 -0.198 7.685 -1.386 215 2HB PHE 29 3HB PHE 29 -0.455 6.341 -2.480 216 HD1 PHE 29 HD1 PHE 29 1.300 6.043 -4.353 217 HD2 PHE 29 HD2 PHE 29 1.910 8.369 -0.863 218 HE1 PHE 29 HE1 PHE 29 3.725 5.752 -4.576 219 HE2 PHE 29 HE2 PHE 29 4.337 8.099 -1.087 220 HZ PHE 29 HZ PHE 29 5.252 6.782 -2.951 221 H VAL 30 H VAL 30 -2.305 9.673 -1.983 222 HA VAL 30 HA VAL 30 -0.711 12.106 -2.353 223 HB VAL 30 HB VAL 30 -3.732 11.935 -2.350 224 1HG1 VAL 30 1HG1 VAL 30 -1.933 14.116 -1.924 225 2HG1 VAL 30 2HG1 VAL 30 -2.807 14.369 -3.436 226 3HG1 VAL 30 3HG1 VAL 30 -3.696 14.117 -1.935 227 1HG2 VAL 30 1HG2 VAL 30 -2.651 10.990 -4.397 228 2HG2 VAL 30 2HG2 VAL 30 -3.685 12.388 -4.697 229 3HG2 VAL 30 3HG2 VAL 30 -1.932 12.577 -4.681 230 H ASN 31 H ASN 31 0.144 12.423 -0.413 231 HA ASN 31 HA ASN 31 -1.088 11.724 2.016 232 1HB ASN 31 2HB ASN 31 1.376 12.001 1.658 233 2HB ASN 31 3HB ASN 31 1.135 13.734 1.496 234 1HD2 ASN 31 1HD2 ASN 31 1.993 11.331 3.556 235 2HD2 ASN 31 2HD2 ASN 31 1.723 12.132 5.061 236 H HIS 32 H HIS 32 -2.205 13.012 3.505 237 HA HIS 32 HA HIS 32 -3.498 15.260 2.167 238 1HB HIS 32 2HB HIS 32 -4.336 13.564 4.515 239 2HB HIS 32 3HB HIS 32 -5.174 15.059 4.110 240 HD1 HIS 32 HD1 HIS 32 -7.195 13.215 3.805 241 HD2 HIS 32 HD2 HIS 32 -4.197 13.278 0.925 242 HE1 HIS 32 HE1 HIS 32 -8.154 12.043 1.794 243 HE2 HIS 32 HE2 HIS 32 -6.428 12.379 -0.009 244 H LYS 33 H LYS 33 -1.190 14.791 4.592 245 HA LYS 33 HA LYS 33 -1.749 17.133 6.143 246 1HB LYS 33 2HB LYS 33 0.778 15.524 5.766 247 2HB LYS 33 3HB LYS 33 0.663 16.903 6.851 248 1HG LYS 33 2HG LYS 33 -1.027 15.777 8.160 249 2HG LYS 33 3HG LYS 33 -1.026 14.417 7.037 250 1HD LYS 33 2HD LYS 33 1.374 15.317 8.630 251 2HD LYS 33 3HD LYS 33 0.287 14.011 9.110 252 1HE LYS 33 2HE LYS 33 0.847 12.773 7.102 253 2HE LYS 33 3HE LYS 33 1.862 14.099 6.540 254 1HZ LYS 33 1HZ LYS 33 3.433 13.693 8.205 255 2HZ LYS 33 2HZ LYS 33 3.009 12.152 7.644 256 3HZ LYS 33 3HZ LYS 33 2.373 12.719 9.109 257 H ASN 34 H ASN 34 0.529 16.419 3.518 258 HA ASN 34 HA ASN 34 0.921 19.274 3.117 259 1HB ASN 34 2HB ASN 34 2.299 16.901 1.827 260 2HB ASN 34 3HB ASN 34 2.773 18.584 1.634 261 1HD2 ASN 34 1HD2 ASN 34 3.700 15.887 3.044 262 2HD2 ASN 34 2HD2 ASN 34 4.436 16.503 4.490 263 H ARG 35 H ARG 35 -0.854 16.715 1.812 264 HA ARG 35 HA ARG 35 -2.250 16.480 0.040 265 1HB ARG 35 2HB ARG 35 -2.984 18.810 0.709 266 2HB ARG 35 3HB ARG 35 -1.876 19.429 -0.506 267 1HG ARG 35 2HG ARG 35 -3.109 18.286 -2.253 268 2HG ARG 35 3HG ARG 35 -4.186 17.572 -1.050 269 1HD ARG 35 2HD ARG 35 -5.268 19.479 -2.059 270 2HD ARG 35 3HD ARG 35 -4.884 19.845 -0.377 271 HE ARG 35 HE ARG 35 -2.888 20.701 -2.283 272 1HH1 ARG 35 2HH1 ARG 35 -5.771 21.555 -0.477 273 2HH1 ARG 35 1HH1 ARG 35 -5.544 23.272 -0.685 274 1HH2 ARG 35 2HH2 ARG 35 -2.579 22.953 -2.550 275 2HH2 ARG 35 1HH2 ARG 35 -3.728 24.063 -1.854 276 H THR 36 H THR 36 -0.181 15.387 -0.493 277 HA THR 36 HA THR 36 1.022 16.503 -2.949 278 HB THR 36 HB THR 36 3.133 15.264 -1.954 279 HG1 THR 36 HG1 THR 36 3.115 15.139 0.257 280 1HG2 THR 36 1HG2 THR 36 3.652 17.434 -0.678 281 2HG2 THR 36 2HG2 THR 36 2.058 17.973 -1.213 282 3HG2 THR 36 3HG2 THR 36 3.297 17.564 -2.401 283 H THR 37 H THR 37 1.312 15.125 -4.624 284 HA THR 37 HA THR 37 0.347 12.395 -4.228 285 HB THR 37 HB THR 37 -0.806 13.725 -5.916 286 HG1 THR 37 HG1 THR 37 -0.838 12.124 -7.434 287 1HG2 THR 37 1HG2 THR 37 0.248 15.049 -7.360 288 2HG2 THR 37 2HG2 THR 37 1.189 13.695 -7.984 289 3HG2 THR 37 3HG2 THR 37 1.772 14.604 -6.591 290 H GLN 38 H GLN 38 1.341 10.608 -5.003 291 HA GLN 38 HA GLN 38 4.041 10.742 -6.121 292 1HB GLN 38 2HB GLN 38 3.364 9.415 -3.495 293 2HB GLN 38 3HB GLN 38 4.813 9.032 -4.413 294 1HG GLN 38 2HG GLN 38 5.460 11.431 -4.266 295 2HG GLN 38 3HG GLN 38 4.084 11.686 -3.199 296 1HE2 GLN 38 1HE2 GLN 38 7.308 10.768 -3.430 297 2HE2 GLN 38 2HE2 GLN 38 7.538 10.234 -1.799 298 H TRP 39 H TRP 39 4.770 8.496 -6.901 299 HA TRP 39 HA TRP 39 2.412 7.074 -7.902 300 1HB TRP 39 2HB TRP 39 4.149 6.061 -9.503 301 2HB TRP 39 3HB TRP 39 3.689 7.740 -9.751 302 HD1 TRP 39 HD1 TRP 39 6.568 5.772 -8.023 303 HE1 TRP 39 HE1 TRP 39 8.730 7.155 -8.273 304 HE3 TRP 39 HE3 TRP 39 4.622 9.874 -10.368 305 HZ2 TRP 39 HZ2 TRP 39 9.495 9.668 -9.330 306 HZ3 TRP 39 HZ3 TRP 39 6.130 11.722 -10.962 307 HH2 TRP 39 HH2 TRP 39 8.515 11.620 -10.455 308 H GLU 40 H GLU 40 2.403 4.765 -7.910 309 HA GLU 40 HA GLU 40 2.898 2.634 -7.251 310 1HB GLU 40 2HB GLU 40 5.172 3.845 -5.671 311 2HB GLU 40 3HB GLU 40 4.801 2.127 -5.713 312 1HG GLU 40 2HG GLU 40 5.203 2.082 -8.112 313 2HG GLU 40 3HG GLU 40 5.541 3.812 -8.095 314 H ASP 41 H ASP 41 4.053 3.215 -4.142 315 HA ASP 41 HA ASP 41 1.551 3.859 -2.834 316 1HB ASP 41 2HB ASP 41 1.306 1.445 -3.465 317 2HB ASP 41 3HB ASP 41 2.782 1.088 -2.580 318 HA PRO 42 HA PRO 42 4.484 5.536 0.014 319 1HB PRO 42 2HB PRO 42 2.916 4.432 2.291 320 2HB PRO 42 3HB PRO 42 3.415 6.097 1.968 321 1HG PRO 42 2HG PRO 42 0.892 5.362 1.588 322 2HG PRO 42 3HG PRO 42 1.688 6.457 0.440 323 1HD PRO 42 2HD PRO 42 1.127 3.529 0.209 324 2HD PRO 42 3HD PRO 42 0.983 4.800 -1.030 325 H ARG 43 H ARG 43 5.724 4.805 2.300 326 HA ARG 43 HA ARG 43 7.165 3.332 3.236 327 1HB ARG 43 2HB ARG 43 5.891 1.277 1.418 328 2HB ARG 43 3HB ARG 43 7.243 0.926 2.484 329 1HG ARG 43 2HG ARG 43 5.966 1.025 4.373 330 2HG ARG 43 3HG ARG 43 4.798 2.139 3.660 331 1HD ARG 43 2HD ARG 43 5.039 -0.613 2.540 332 2HD ARG 43 3HD ARG 43 4.189 -0.390 4.069 333 HE ARG 43 HE ARG 43 3.298 0.423 1.433 334 1HH1 ARG 43 2HH1 ARG 43 2.875 0.756 4.904 335 2HH1 ARG 43 1HH1 ARG 43 1.321 1.532 4.762 336 1HH2 ARG 43 2HH2 ARG 43 1.288 1.465 1.245 337 2HH2 ARG 43 1HH2 ARG 43 0.427 1.941 2.688 338 H THR 44 H THR 44 6.774 2.698 -0.242 339 HA THR 44 HA THR 44 9.622 3.069 -0.715 340 HB THR 44 HB THR 44 7.461 2.748 -2.806 341 HG1 THR 44 HG1 THR 44 7.875 0.535 -2.698 342 1HG2 THR 44 1HG2 THR 44 10.454 2.345 -2.799 343 2HG2 THR 44 2HG2 THR 44 9.528 3.513 -3.742 344 3HG2 THR 44 3HG2 THR 44 9.398 1.791 -4.098 345 H GLN 45 H GLN 45 8.941 5.210 0.446 346 HA GLN 45 HA GLN 45 7.658 7.252 -0.962 347 1HB GLN 45 2HB GLN 45 8.907 8.774 0.657 348 2HB GLN 45 3HB GLN 45 7.880 7.536 1.370 349 1HG GLN 45 2HG GLN 45 9.859 6.122 1.722 350 2HG GLN 45 3HG GLN 45 10.870 7.391 1.043 351 1HE2 GLN 45 1HE2 GLN 45 8.626 9.094 2.581 352 2HE2 GLN 45 2HE2 GLN 45 9.345 9.230 4.151 353 H GLY 46 H GLY 46 10.756 5.992 -1.257 354 1HA GLY 46 1HA GLY 46 11.639 6.868 -3.586 355 2HA GLY 46 2HA GLY 46 11.866 8.323 -2.617 356 H GLN 47 H GLN 47 12.514 7.180 -0.244 357 HA GLN 47 HA GLN 47 15.253 6.848 -0.312 358 1HB GLN 47 2HB GLN 47 13.300 5.763 1.720 359 2HB GLN 47 3HB GLN 47 15.040 5.827 1.959 360 1HG GLN 47 2HG GLN 47 13.256 8.207 1.500 361 2HG GLN 47 3HG GLN 47 13.863 7.668 3.064 362 1HE2 GLN 47 1HE2 GLN 47 15.516 8.795 3.760 363 2HE2 GLN 47 2HE2 GLN 47 16.743 9.526 2.784 364 H GLU 48 H GLU 48 12.758 4.354 -0.357 365 HA GLU 48 HA GLU 48 12.714 2.233 -1.134 366 1HB GLU 48 2HB GLU 48 14.019 2.994 -3.061 367 2HB GLU 48 3HB GLU 48 15.509 2.794 -2.147 368 1HG GLU 48 2HG GLU 48 15.098 0.396 -1.997 369 2HG GLU 48 3HG GLU 48 13.600 0.593 -2.906 370 H VAL 49 H VAL 49 12.568 0.969 0.480 371 HA VAL 49 HA VAL 49 13.177 -0.640 2.039 372 HB VAL 49 HB VAL 49 16.028 0.385 1.868 373 1HG1 VAL 49 1HG1 VAL 49 16.536 -1.808 2.979 374 2HG1 VAL 49 2HG1 VAL 49 15.656 -0.655 3.982 375 3HG1 VAL 49 3HG1 VAL 49 14.802 -2.004 3.236 376 1HG2 VAL 49 1HG2 VAL 49 14.930 -0.833 -0.187 377 2HG2 VAL 49 2HG2 VAL 49 16.562 -1.246 0.339 378 3HG2 VAL 49 3HG2 VAL 49 15.202 -2.272 0.794 379 H SER 50 H SER 50 15.659 1.134 3.525 380 HA SER 50 HA SER 50 15.734 2.540 5.292 381 1HB SER 50 2HB SER 50 14.860 4.156 3.645 382 2HB SER 50 3HB SER 50 13.214 3.710 4.086 383 HG SER 50 HG SER 50 15.141 4.780 5.885 384 H LEU 51 H LEU 51 12.183 2.473 5.125 385 HA LEU 51 HA LEU 51 11.972 1.728 7.879 386 1HB LEU 51 2HB LEU 51 9.524 1.519 7.361 387 2HB LEU 51 3HB LEU 51 10.232 3.090 7.061 388 HG LEU 51 HG LEU 51 10.416 2.201 4.585 389 1HD1 LEU 51 1HD1 LEU 51 9.686 -0.059 4.991 390 2HD1 LEU 51 2HD1 LEU 51 8.201 0.519 5.743 391 3HD1 LEU 51 3HD1 LEU 51 8.476 0.778 4.022 392 1HD2 LEU 51 1HD2 LEU 51 7.746 2.847 4.640 393 2HD2 LEU 51 2HD2 LEU 51 8.367 3.584 6.117 394 3HD2 LEU 51 3HD2 LEU 51 9.087 3.989 4.557 395 H ILE 52 H ILE 52 11.965 0.075 4.826 396 HA ILE 52 HA ILE 52 10.931 -2.408 5.547 397 HB ILE 52 HB ILE 52 13.242 -1.920 3.652 398 1HG1 ILE 52 2HG1 ILE 52 10.247 -1.827 3.261 399 2HG1 ILE 52 3HG1 ILE 52 11.436 -0.581 2.875 400 1HG2 ILE 52 1HG2 ILE 52 11.632 -4.092 2.836 401 2HG2 ILE 52 2HG2 ILE 52 13.312 -4.115 3.372 402 3HG2 ILE 52 3HG2 ILE 52 12.012 -4.327 4.541 403 1HD1 ILE 52 1HD1 ILE 52 10.875 -1.435 0.811 404 2HD1 ILE 52 2HD1 ILE 52 12.357 -2.308 1.197 405 3HD1 ILE 52 3HD1 ILE 52 10.791 -3.095 1.396 406 H ASN 53 H ASN 53 14.148 -1.158 5.770 407 HA ASN 53 HA ASN 53 16.103 -1.938 6.781 408 1HB ASN 53 2HB ASN 53 14.614 -0.510 8.278 409 2HB ASN 53 3HB ASN 53 14.191 -2.007 9.100 410 1HD2 ASN 53 1HD2 ASN 53 15.249 -2.191 10.935 411 2HD2 ASN 53 2HD2 ASN 53 16.896 -1.730 11.216 412 H GLU 54 H GLU 54 15.558 -4.179 5.582 413 HA GLU 54 HA GLU 54 15.706 -6.461 5.642 414 1HB GLU 54 2HB GLU 54 17.192 -5.913 8.221 415 2HB GLU 54 3HB GLU 54 17.287 -7.386 7.265 416 1HG GLU 54 2HG GLU 54 18.264 -4.646 6.521 417 2HG GLU 54 3HG GLU 54 19.227 -6.094 6.812 418 H GLY 55 H GLY 55 13.296 -5.717 6.406 419 1HA GLY 55 1HA GLY 55 12.667 -7.473 8.700 420 2HA GLY 55 2HA GLY 55 11.981 -5.861 8.569 421 HA PRO 56 HA PRO 56 8.676 -8.471 6.929 422 1HB PRO 56 2HB PRO 56 6.737 -6.569 7.094 423 2HB PRO 56 3HB PRO 56 7.278 -7.531 8.475 424 1HG PRO 56 2HG PRO 56 8.070 -4.756 7.672 425 2HG PRO 56 3HG PRO 56 7.658 -5.377 9.281 426 1HD PRO 56 2HD PRO 56 10.207 -5.016 8.512 427 2HD PRO 56 3HD PRO 56 9.733 -6.362 9.570 428 H LEU 57 H LEU 57 10.499 -6.675 5.267 429 HA LEU 57 HA LEU 57 10.568 -5.649 3.203 430 1HB LEU 57 2HB LEU 57 9.431 -8.366 3.102 431 2HB LEU 57 3HB LEU 57 9.491 -7.468 1.596 432 HG LEU 57 HG LEU 57 11.839 -8.158 3.368 433 1HD1 LEU 57 1HD1 LEU 57 10.960 -10.061 2.115 434 2HD1 LEU 57 2HD1 LEU 57 11.072 -9.133 0.620 435 3HD1 LEU 57 3HD1 LEU 57 12.537 -9.562 1.503 436 1HD2 LEU 57 1HD2 LEU 57 12.027 -6.938 0.644 437 2HD2 LEU 57 2HD2 LEU 57 11.850 -5.923 2.075 438 3HD2 LEU 57 3HD2 LEU 57 13.237 -7.000 1.924 439 HA PRO 58 HA PRO 58 6.233 -4.205 2.582 440 1HB PRO 58 2HB PRO 58 6.222 -1.932 4.070 441 2HB PRO 58 3HB PRO 58 5.841 -3.523 4.732 442 1HG PRO 58 2HG PRO 58 8.156 -1.843 5.237 443 2HG PRO 58 3HG PRO 58 7.653 -3.320 6.071 444 1HD PRO 58 2HD PRO 58 9.654 -2.971 3.954 445 2HD PRO 58 3HD PRO 58 9.410 -4.342 5.054 446 HA PRO 59 HA PRO 59 8.278 -1.081 -0.119 447 1HB PRO 59 2HB PRO 59 8.343 -2.421 -2.453 448 2HB PRO 59 3HB PRO 59 9.565 -2.669 -1.202 449 1HG PRO 59 2HG PRO 59 7.417 -4.462 -2.080 450 2HG PRO 59 3HG PRO 59 8.878 -4.833 -1.155 451 1HD PRO 59 2HD PRO 59 6.174 -4.370 -0.186 452 2HD PRO 59 3HD PRO 59 7.594 -4.950 0.705 453 H GLY 60 H GLY 60 5.870 -0.531 0.572 454 1HA GLY 60 1HA GLY 60 3.972 0.550 -0.211 455 2HA GLY 60 2HA GLY 60 4.485 0.186 -1.853 456 H TRP 61 H TRP 61 3.829 -1.921 0.892 457 HA TRP 61 HA TRP 61 1.626 -3.039 -0.643 458 1HB TRP 61 2HB TRP 61 2.067 -5.255 -0.192 459 2HB TRP 61 3HB TRP 61 3.660 -4.598 -0.526 460 HD1 TRP 61 HD1 TRP 61 5.405 -4.631 1.400 461 HE1 TRP 61 HE1 TRP 61 5.480 -5.887 3.671 462 HE3 TRP 61 HE3 TRP 61 0.525 -5.961 1.692 463 HZ2 TRP 61 HZ2 TRP 61 3.632 -7.153 5.410 464 HZ3 TRP 61 HZ3 TRP 61 -0.264 -7.190 3.672 465 HH2 TRP 61 HH2 TRP 61 1.256 -7.784 5.487 466 H GLU 62 H GLU 62 -0.104 -3.884 0.505 467 HA GLU 62 HA GLU 62 -0.476 -2.436 3.045 468 1HB GLU 62 2HB GLU 62 -1.423 -1.425 0.936 469 2HB GLU 62 3HB GLU 62 -2.472 -2.827 0.812 470 1HG GLU 62 2HG GLU 62 -3.689 -2.232 2.708 471 2HG GLU 62 3HG GLU 62 -2.452 -1.100 3.255 472 H ILE 63 H ILE 63 -2.151 -3.244 4.432 473 HA ILE 63 HA ILE 63 -2.466 -6.155 4.223 474 HB ILE 63 HB ILE 63 -3.412 -5.942 6.572 475 1HG1 ILE 63 2HG1 ILE 63 -2.154 -3.191 6.369 476 2HG1 ILE 63 3HG1 ILE 63 -3.879 -3.515 6.489 477 1HG2 ILE 63 1HG2 ILE 63 -1.394 -6.737 7.037 478 2HG2 ILE 63 2HG2 ILE 63 -0.714 -5.923 5.629 479 3HG2 ILE 63 3HG2 ILE 63 -0.798 -5.084 7.176 480 1HD1 ILE 63 1HD1 ILE 63 -2.182 -2.990 8.572 481 2HD1 ILE 63 2HD1 ILE 63 -3.783 -3.718 8.699 482 3HD1 ILE 63 3HD1 ILE 63 -2.351 -4.744 8.631 483 H ARG 64 H ARG 64 -4.294 -6.891 3.387 484 HA ARG 64 HA ARG 64 -6.602 -5.082 3.214 485 1HB ARG 64 2HB ARG 64 -5.719 -6.392 1.205 486 2HB ARG 64 3HB ARG 64 -6.373 -7.829 1.983 487 1HG ARG 64 2HG ARG 64 -8.026 -7.160 0.476 488 2HG ARG 64 3HG ARG 64 -8.593 -6.585 2.047 489 1HD ARG 64 2HD ARG 64 -7.543 -4.371 1.500 490 2HD ARG 64 3HD ARG 64 -7.262 -4.981 -0.129 491 HE ARG 64 HE ARG 64 -9.656 -3.895 0.862 492 1HH1 ARG 64 2HH1 ARG 64 -8.591 -6.599 -1.146 493 2HH1 ARG 64 1HH1 ARG 64 -10.062 -6.626 -2.067 494 1HH2 ARG 64 2HH2 ARG 64 -11.561 -3.956 -0.365 495 2HH2 ARG 64 1HH2 ARG 64 -11.742 -5.156 -1.620 496 H TYR 65 H TYR 65 -8.188 -5.228 4.676 497 HA TYR 65 HA TYR 65 -8.283 -7.408 6.556 498 1HB TYR 65 2HB TYR 65 -10.065 -5.017 6.083 499 2HB TYR 65 3HB TYR 65 -10.427 -6.243 7.291 500 HD1 TYR 65 HD1 TYR 65 -7.469 -4.160 6.275 501 HD2 TYR 65 HD2 TYR 65 -9.838 -5.731 9.442 502 HE1 TYR 65 HE1 TYR 65 -6.058 -2.980 7.911 503 HE2 TYR 65 HE2 TYR 65 -8.436 -4.556 11.082 504 HH TYR 65 HH TYR 65 -6.715 -2.133 10.629 505 H THR 66 H THR 66 -9.073 -9.324 6.043 506 HA THR 66 HA THR 66 -11.297 -9.459 4.107 507 HB THR 66 HB THR 66 -9.519 -11.737 4.996 508 HG1 THR 66 HG1 THR 66 -8.591 -9.858 3.712 509 1HG2 THR 66 1HG2 THR 66 -10.431 -12.901 3.069 510 2HG2 THR 66 2HG2 THR 66 -11.372 -11.477 2.623 511 3HG2 THR 66 3HG2 THR 66 -11.751 -12.354 4.103 512 H ALA 67 H ALA 67 -13.212 -10.193 4.777 513 HA ALA 67 HA ALA 67 -14.243 -9.818 7.083 514 1HB ALA 67 1HB ALA 67 -15.357 -10.736 4.990 515 2HB ALA 67 2HB ALA 67 -15.156 -12.324 5.732 516 3HB ALA 67 3HB ALA 67 -16.113 -11.086 6.545 517 H ALA 68 H ALA 68 -12.381 -12.761 6.596 518 HA ALA 68 HA ALA 68 -13.219 -14.074 8.975 519 1HB ALA 68 1HB ALA 68 -11.204 -14.489 6.900 520 2HB ALA 68 2HB ALA 68 -10.717 -15.064 8.495 521 3HB ALA 68 3HB ALA 68 -12.207 -15.658 7.759 522 H GLY 69 H GLY 69 -11.569 -11.239 8.646 523 1HA GLY 69 1HA GLY 69 -10.730 -9.934 10.379 524 2HA GLY 69 2HA GLY 69 -10.569 -11.379 11.369 525 H GLU 70 H GLU 70 -9.318 -11.767 8.253 526 HA GLU 70 HA GLU 70 -6.607 -11.628 9.324 527 1HB GLU 70 2HB GLU 70 -7.944 -13.160 7.149 528 2HB GLU 70 3HB GLU 70 -6.239 -12.792 6.958 529 1HG GLU 70 2HG GLU 70 -6.362 -14.944 7.896 530 2HG GLU 70 3HG GLU 70 -5.856 -13.865 9.190 531 H ARG 71 H ARG 71 -5.072 -10.295 8.515 532 HA ARG 71 HA ARG 71 -5.931 -8.390 6.458 533 1HB ARG 71 2HB ARG 71 -3.731 -8.373 8.496 534 2HB ARG 71 3HB ARG 71 -3.653 -7.317 7.093 535 1HG ARG 71 2HG ARG 71 -4.967 -5.857 8.108 536 2HG ARG 71 3HG ARG 71 -6.241 -7.073 8.233 537 1HD ARG 71 2HD ARG 71 -3.957 -6.825 10.180 538 2HD ARG 71 3HD ARG 71 -5.529 -6.060 10.407 539 HE ARG 71 HE ARG 71 -6.098 -8.698 9.976 540 1HH1 ARG 71 2HH1 ARG 71 -4.070 -6.954 12.215 541 2HH1 ARG 71 1HH1 ARG 71 -4.351 -8.052 13.533 542 1HH2 ARG 71 2HH2 ARG 71 -6.469 -10.167 11.691 543 2HH2 ARG 71 1HH2 ARG 71 -5.682 -9.908 13.224 544 H PHE 72 H PHE 72 -5.755 -9.498 4.590 545 HA PHE 72 HA PHE 72 -3.567 -11.153 3.885 546 1HB PHE 72 2HB PHE 72 -5.696 -9.797 2.222 547 2HB PHE 72 3HB PHE 72 -4.489 -10.879 1.539 548 HD1 PHE 72 HD1 PHE 72 -5.939 -11.483 4.850 549 HD2 PHE 72 HD2 PHE 72 -6.140 -12.419 0.704 550 HE1 PHE 72 HE1 PHE 72 -7.412 -13.382 5.354 551 HE2 PHE 72 HE2 PHE 72 -7.613 -14.325 1.207 552 HZ PHE 72 HZ PHE 72 -8.255 -14.798 3.535 553 H PHE 73 H PHE 73 -2.157 -10.698 1.991 554 HA PHE 73 HA PHE 73 -0.897 -8.107 2.434 555 1HB PHE 73 2HB PHE 73 0.772 -9.629 2.601 556 2HB PHE 73 3HB PHE 73 -0.095 -10.837 1.667 557 HD1 PHE 73 HD1 PHE 73 1.648 -7.591 1.163 558 HD2 PHE 73 HD2 PHE 73 0.829 -11.477 -0.327 559 HE1 PHE 73 HE1 PHE 73 3.106 -7.148 -0.763 560 HE2 PHE 73 HE2 PHE 73 2.284 -11.048 -2.264 561 HZ PHE 73 HZ PHE 73 3.621 -9.037 -2.355 562 H VAL 74 H VAL 74 -0.965 -6.491 0.952 563 HA VAL 74 HA VAL 74 -1.611 -7.214 -1.826 564 HB VAL 74 HB VAL 74 -2.532 -4.694 -0.418 565 1HG1 VAL 74 1HG1 VAL 74 -3.418 -3.967 -2.393 566 2HG1 VAL 74 2HG1 VAL 74 -2.025 -4.857 -3.009 567 3HG1 VAL 74 3HG1 VAL 74 -3.625 -5.599 -3.028 568 1HG2 VAL 74 1HG2 VAL 74 -4.511 -6.617 -1.451 569 2HG2 VAL 74 2HG2 VAL 74 -3.627 -7.115 -0.007 570 3HG2 VAL 74 3HG2 VAL 74 -4.550 -5.612 -0.002 571 H ASP 75 H ASP 75 0.290 -7.050 -2.681 572 HA ASP 75 HA ASP 75 2.111 -4.811 -2.276 573 1HB ASP 75 2HB ASP 75 3.232 -6.872 -2.564 574 2HB ASP 75 3HB ASP 75 2.194 -7.352 -3.896 575 H HIS 76 H HIS 76 2.097 -2.960 -3.557 576 HA HIS 76 HA HIS 76 0.275 -3.038 -5.838 577 1HB HIS 76 2HB HIS 76 1.494 -0.635 -4.461 578 2HB HIS 76 3HB HIS 76 0.236 -0.599 -5.689 579 HD1 HIS 76 HD1 HIS 76 0.795 -1.576 -2.083 580 HD2 HIS 76 HD2 HIS 76 -2.331 -0.897 -4.742 581 HE1 HIS 76 HE1 HIS 76 -1.303 -1.631 -0.698 582 HE2 HIS 76 HE2 HIS 76 -3.192 -1.259 -2.328 583 H ASN 77 H ASN 77 3.007 -4.078 -5.911 584 HA ASN 77 HA ASN 77 4.236 -2.260 -7.873 585 1HB ASN 77 2HB ASN 77 5.424 -4.682 -6.496 586 2HB ASN 77 3HB ASN 77 6.279 -3.560 -7.555 587 1HD2 ASN 77 1HD2 ASN 77 5.534 -4.317 -4.404 588 2HD2 ASN 77 2HD2 ASN 77 5.951 -2.801 -3.664 589 H THR 78 H THR 78 3.380 -5.633 -7.274 590 HA THR 78 HA THR 78 3.238 -6.045 -10.189 591 HB THR 78 HB THR 78 4.795 -7.527 -8.851 592 HG1 THR 78 HG1 THR 78 3.565 -8.087 -10.914 593 1HG2 THR 78 1HG2 THR 78 4.084 -8.593 -7.037 594 2HG2 THR 78 2HG2 THR 78 2.824 -9.400 -7.973 595 3HG2 THR 78 3HG2 THR 78 2.504 -7.833 -7.230 596 H ARG 79 H ARG 79 1.377 -5.190 -7.700 597 HA ARG 79 HA ARG 79 -0.848 -5.148 -7.259 598 1HB ARG 79 2HB ARG 79 -0.691 -4.708 -9.845 599 2HB ARG 79 3HB ARG 79 -1.415 -6.301 -9.967 600 1HG ARG 79 2HG ARG 79 -2.655 -4.129 -8.311 601 2HG ARG 79 3HG ARG 79 -2.959 -4.275 -10.041 602 1HD ARG 79 2HD ARG 79 -3.554 -6.326 -7.914 603 2HD ARG 79 3HD ARG 79 -4.726 -5.363 -8.811 604 HE ARG 79 HE ARG 79 -3.609 -7.821 -9.612 605 1HH1 ARG 79 2HH1 ARG 79 -4.536 -4.707 -10.954 606 2HH1 ARG 79 1HH1 ARG 79 -4.724 -5.323 -12.570 607 1HH2 ARG 79 2HH2 ARG 79 -3.891 -8.627 -11.726 608 2HH2 ARG 79 1HH2 ARG 79 -4.338 -7.539 -13.009 609 H ARG 80 H ARG 80 0.032 -7.090 -5.924 610 HA ARG 80 HA ARG 80 -1.566 -9.466 -6.631 611 1HB ARG 80 2HB ARG 80 0.877 -9.677 -7.107 612 2HB ARG 80 3HB ARG 80 1.190 -9.441 -5.396 613 1HG ARG 80 2HG ARG 80 1.297 -11.777 -5.897 614 2HG ARG 80 3HG ARG 80 -0.138 -11.472 -4.915 615 1HD ARG 80 2HD ARG 80 -0.517 -13.026 -6.831 616 2HD ARG 80 3HD ARG 80 -1.562 -11.604 -6.832 617 HE ARG 80 HE ARG 80 -0.631 -10.972 -8.814 618 1HH1 ARG 80 2HH1 ARG 80 1.462 -13.389 -7.368 619 2HH1 ARG 80 1HH1 ARG 80 2.627 -13.320 -8.656 620 1HH2 ARG 80 2HH2 ARG 80 0.890 -10.864 -10.471 621 2HH2 ARG 80 1HH2 ARG 80 2.306 -11.880 -10.434 622 H THR 81 H THR 81 -2.878 -10.201 -5.110 623 HA THR 81 HA THR 81 -2.371 -9.416 -2.320 624 HB THR 81 HB THR 81 -4.649 -8.896 -3.172 625 HG1 THR 81 HG1 THR 81 -4.188 -9.497 -0.923 626 1HG2 THR 81 1HG2 THR 81 -5.712 -11.571 -3.046 627 2HG2 THR 81 2HG2 THR 81 -4.488 -11.451 -4.309 628 3HG2 THR 81 3HG2 THR 81 -5.874 -10.362 -4.318 629 H THR 82 H THR 82 -2.261 -11.025 -0.728 630 HA THR 82 HA THR 82 -2.254 -13.838 -1.443 631 HB THR 82 HB THR 82 0.345 -12.606 -0.502 632 HG1 THR 82 HG1 THR 82 -0.730 -12.717 -3.034 633 1HG2 THR 82 1HG2 THR 82 -0.540 -15.237 -0.562 634 2HG2 THR 82 2HG2 THR 82 1.132 -14.697 -0.416 635 3HG2 THR 82 3HG2 THR 82 0.466 -15.085 -2.001 636 H PHE 83 H PHE 83 -2.022 -15.203 0.433 637 HA PHE 83 HA PHE 83 -3.000 -14.019 2.858 638 1HB PHE 83 2HB PHE 83 -1.983 -16.815 2.262 639 2HB PHE 83 3HB PHE 83 -2.666 -16.329 3.805 640 HD1 PHE 83 HD1 PHE 83 -3.591 -16.249 0.171 641 HD2 PHE 83 HD2 PHE 83 -4.850 -16.839 4.192 642 HE1 PHE 83 HE1 PHE 83 -5.834 -16.841 -0.625 643 HE2 PHE 83 HE2 PHE 83 -7.099 -17.438 3.400 644 HZ PHE 83 HZ PHE 83 -7.591 -17.444 0.988 645 H GLU 84 H GLU 84 0.000 -15.726 1.993 646 HA GLU 84 HA GLU 84 1.384 -14.391 4.217 647 1HB GLU 84 2HB GLU 84 3.181 -16.093 3.773 648 2HB GLU 84 3HB GLU 84 1.649 -16.775 4.303 649 1HG GLU 84 2HG GLU 84 1.093 -17.366 2.021 650 2HG GLU 84 3HG GLU 84 2.588 -16.627 1.450 651 H ASP 85 H ASP 85 3.946 -15.080 2.761 652 HA ASP 85 HA ASP 85 5.229 -14.493 0.978 653 1HB ASP 85 2HB ASP 85 3.166 -13.711 -0.316 654 2HB ASP 85 3HB ASP 85 3.535 -12.106 0.306 655 HA PRO 86 HA PRO 86 6.484 -10.136 2.750 656 1HB PRO 86 2HB PRO 86 4.452 -9.784 4.880 657 2HB PRO 86 3HB PRO 86 5.179 -8.583 3.805 658 1HG PRO 86 2HG PRO 86 2.669 -9.393 3.447 659 2HG PRO 86 3HG PRO 86 3.734 -9.077 2.063 660 1HD PRO 86 2HD PRO 86 2.928 -11.694 3.277 661 2HD PRO 86 3HD PRO 86 3.108 -11.254 1.567 662 H ARG 87 H ARG 87 8.077 -10.227 4.206 663 HA ARG 87 HA ARG 87 8.498 -12.566 5.678 664 1HB ARG 87 2HB ARG 87 10.218 -10.897 4.760 665 2HB ARG 87 3HB ARG 87 9.914 -9.960 6.216 666 1HG ARG 87 2HG ARG 87 10.505 -12.051 7.518 667 2HG ARG 87 3HG ARG 87 11.096 -12.710 5.992 668 1HD ARG 87 2HD ARG 87 12.075 -10.260 7.441 669 2HD ARG 87 3HD ARG 87 12.950 -11.764 7.165 670 HE ARG 87 HE ARG 87 12.267 -10.731 4.671 671 1HH1 ARG 87 2HH1 ARG 87 14.348 -9.991 7.378 672 2HH1 ARG 87 1HH1 ARG 87 15.448 -9.031 6.438 673 1HH2 ARG 87 2HH2 ARG 87 13.632 -9.373 3.455 674 2HH2 ARG 87 1HH2 ARG 87 14.992 -8.606 4.210 675 HA PRO 88 HA PRO 88 6.181 -11.727 9.385 676 1HB PRO 88 2HB PRO 88 7.953 -13.715 10.645 677 2HB PRO 88 3HB PRO 88 6.201 -13.750 10.435 678 1HG PRO 88 2HG PRO 88 7.823 -15.351 9.020 679 2HG PRO 88 3HG PRO 88 6.339 -14.672 8.322 680 1HD PRO 88 2HD PRO 88 9.183 -13.805 7.951 681 2HD PRO 88 3HD PRO 88 7.875 -13.918 6.755 Start of MODEL 7 1 1H GLY 1 1H GLY 1 -28.365 8.685 2.779 2 2H GLY 1 2H GLY 1 -28.209 7.358 1.735 3 3H GLY 1 3H GLY 1 -26.878 8.365 2.043 4 1HA GLY 1 2HA GLY 1 -27.819 7.457 4.505 5 2HA GLY 1 1HA GLY 1 -27.682 6.067 3.436 6 H SER 2 H SER 2 -25.899 5.130 4.344 7 HA SER 2 HA SER 2 -23.483 6.687 4.777 8 1HB SER 2 2HB SER 2 -23.987 3.709 5.027 9 2HB SER 2 3HB SER 2 -22.527 4.551 5.548 10 HG SER 2 HG SER 2 -24.823 5.649 6.564 11 HA PRO 3 HA PRO 3 -22.025 5.960 0.641 12 1HB PRO 3 2HB PRO 3 -19.383 6.762 1.578 13 2HB PRO 3 3HB PRO 3 -20.481 7.615 0.493 14 1HG PRO 3 2HG PRO 3 -19.922 8.487 2.999 15 2HG PRO 3 3HG PRO 3 -21.478 8.777 2.203 16 1HD PRO 3 2HD PRO 3 -20.754 6.719 4.257 17 2HD PRO 3 3HD PRO 3 -22.219 7.716 4.129 18 H GLU 4 H GLU 4 -22.293 3.609 1.797 19 HA GLU 4 HA GLU 4 -19.883 2.303 2.496 20 1HB GLU 4 2HB GLU 4 -22.387 1.785 3.097 21 2HB GLU 4 3HB GLU 4 -22.319 0.790 1.648 22 1HG GLU 4 2HG GLU 4 -21.861 -0.500 3.665 23 2HG GLU 4 3HG GLU 4 -20.479 -0.482 2.568 24 H PHE 5 H PHE 5 -19.229 3.341 0.149 25 HA PHE 5 HA PHE 5 -19.595 1.662 -2.108 26 1HB PHE 5 2HB PHE 5 -17.370 2.795 -2.862 27 2HB PHE 5 3HB PHE 5 -18.835 3.754 -2.726 28 HD1 PHE 5 HD1 PHE 5 -18.514 5.861 -1.850 29 HD2 PHE 5 HD2 PHE 5 -16.078 2.663 -0.463 30 HE1 PHE 5 HE1 PHE 5 -17.335 7.414 -0.354 31 HE2 PHE 5 HE2 PHE 5 -14.892 4.210 1.035 32 HZ PHE 5 HZ PHE 5 -15.550 6.653 1.047 33 H HIS 6 H HIS 6 -17.263 1.700 0.487 34 HA HIS 6 HA HIS 6 -16.637 -1.088 0.102 35 1HB HIS 6 2HB HIS 6 -15.099 0.073 -1.496 36 2HB HIS 6 3HB HIS 6 -14.456 1.009 -0.156 37 HD1 HIS 6 HD1 HIS 6 -14.819 -2.685 -1.041 38 HD2 HIS 6 HD2 HIS 6 -12.192 -0.055 0.823 39 HE1 HIS 6 HE1 HIS 6 -12.809 -4.063 -0.417 40 HE2 HIS 6 HE2 HIS 6 -11.159 -2.412 0.538 41 H MET 7 H MET 7 -16.316 -1.955 2.081 42 HA MET 7 HA MET 7 -17.059 -0.774 4.346 43 1HB MET 7 2HB MET 7 -15.030 -2.970 4.026 44 2HB MET 7 3HB MET 7 -15.626 -2.473 5.603 45 1HG MET 7 2HG MET 7 -17.905 -3.020 4.915 46 2HG MET 7 3HG MET 7 -17.304 -3.523 3.335 47 1HE MET 7 1HE MET 7 -15.915 -5.627 7.195 48 2HE MET 7 2HE MET 7 -15.611 -3.946 6.762 49 3HE MET 7 3HE MET 7 -17.223 -4.447 7.274 50 H ASP 8 H ASP 8 -13.642 -1.047 3.477 51 HA ASP 8 HA ASP 8 -12.440 0.071 5.605 52 1HB ASP 8 2HB ASP 8 -11.699 0.473 2.706 53 2HB ASP 8 3HB ASP 8 -10.658 0.935 4.048 54 H ALA 9 H ALA 9 -13.987 1.854 3.007 55 HA ALA 9 HA ALA 9 -14.875 3.953 2.904 56 1HB ALA 9 1HB ALA 9 -15.646 4.741 4.821 57 2HB ALA 9 2HB ALA 9 -14.596 3.631 5.704 58 3HB ALA 9 3HB ALA 9 -14.019 5.244 5.282 59 H LEU 10 H LEU 10 -11.776 3.917 4.607 60 HA LEU 10 HA LEU 10 -10.678 6.222 3.456 61 1HB LEU 10 2HB LEU 10 -9.349 3.695 4.437 62 2HB LEU 10 3HB LEU 10 -8.478 5.151 3.998 63 HG LEU 10 HG LEU 10 -10.505 4.945 6.228 64 1HD1 LEU 10 1HD1 LEU 10 -7.690 4.318 6.088 65 2HD1 LEU 10 2HD1 LEU 10 -8.007 5.604 7.251 66 3HD1 LEU 10 3HD1 LEU 10 -8.838 4.055 7.399 67 1HD2 LEU 10 1HD2 LEU 10 -8.581 7.197 5.841 68 2HD2 LEU 10 2HD2 LEU 10 -10.100 7.177 4.946 69 3HD2 LEU 10 3HD2 LEU 10 -10.115 7.169 6.710 70 H GLY 11 H GLY 11 -10.616 2.834 2.408 71 1HA GLY 11 1HA GLY 11 -10.272 1.920 0.319 72 2HA GLY 11 2HA GLY 11 -10.355 3.546 -0.355 73 HA PRO 12 HA PRO 12 -5.894 2.688 -0.734 74 1HB PRO 12 2HB PRO 12 -5.904 4.676 -2.822 75 2HB PRO 12 3HB PRO 12 -5.641 2.937 -2.971 76 1HG PRO 12 2HG PRO 12 -7.835 4.257 -3.962 77 2HG PRO 12 3HG PRO 12 -7.813 2.537 -3.540 78 1HD PRO 12 2HD PRO 12 -8.881 4.858 -1.987 79 2HD PRO 12 3HD PRO 12 -9.544 3.218 -2.167 80 H LEU 13 H LEU 13 -6.116 3.851 1.398 81 HA LEU 13 HA LEU 13 -4.607 6.213 1.535 82 1HB LEU 13 2HB LEU 13 -6.449 7.448 0.734 83 2HB LEU 13 3HB LEU 13 -7.601 6.487 1.635 84 HG LEU 13 HG LEU 13 -6.664 7.523 3.738 85 1HD1 LEU 13 1HD1 LEU 13 -4.809 8.720 3.587 86 2HD1 LEU 13 2HD1 LEU 13 -4.874 8.708 1.824 87 3HD1 LEU 13 3HD1 LEU 13 -5.740 9.949 2.730 88 1HD2 LEU 13 1HD2 LEU 13 -7.793 9.785 3.199 89 2HD2 LEU 13 2HD2 LEU 13 -8.151 9.047 1.638 90 3HD2 LEU 13 3HD2 LEU 13 -8.752 8.308 3.122 91 HA PRO 14 HA PRO 14 -4.974 3.645 5.393 92 1HB PRO 14 2HB PRO 14 -2.096 4.159 5.599 93 2HB PRO 14 3HB PRO 14 -2.960 2.621 5.562 94 1HG PRO 14 2HG PRO 14 -1.438 3.470 3.506 95 2HG PRO 14 3HG PRO 14 -2.891 2.483 3.273 96 1HD PRO 14 2HD PRO 14 -2.520 5.429 2.909 97 2HD PRO 14 3HD PRO 14 -3.441 4.276 1.919 98 H ASP 15 H ASP 15 -5.534 6.457 5.150 99 HA ASP 15 HA ASP 15 -5.751 8.336 6.380 100 1HB ASP 15 2HB ASP 15 -6.601 6.526 7.922 101 2HB ASP 15 3HB ASP 15 -5.043 6.591 8.740 102 H GLY 16 H GLY 16 -3.299 8.294 5.198 103 1HA GLY 16 1HA GLY 16 -1.900 10.277 6.542 104 2HA GLY 16 2HA GLY 16 -1.142 8.749 6.991 105 H TRP 17 H TRP 17 -1.479 7.342 4.689 106 HA TRP 17 HA TRP 17 0.043 8.833 2.673 107 1HB TRP 17 2HB TRP 17 1.508 7.127 3.117 108 2HB TRP 17 3HB TRP 17 0.251 6.078 3.757 109 HD1 TRP 17 HD1 TRP 17 -0.682 4.261 2.220 110 HE1 TRP 17 HE1 TRP 17 -0.242 3.562 -0.197 111 HE3 TRP 17 HE3 TRP 17 2.146 8.231 0.682 112 HZ2 TRP 17 HZ2 TRP 17 1.153 4.505 -2.435 113 HZ3 TRP 17 HZ3 TRP 17 3.054 8.207 -1.568 114 HH2 TRP 17 HH2 TRP 17 2.537 6.410 -3.106 115 H GLU 18 H GLU 18 -0.626 8.316 0.443 116 HA GLU 18 HA GLU 18 -3.208 7.003 0.129 117 1HB GLU 18 2HB GLU 18 -3.792 9.263 0.899 118 2HB GLU 18 3HB GLU 18 -2.856 9.953 -0.420 119 1HG GLU 18 2HG GLU 18 -4.373 8.755 -2.005 120 2HG GLU 18 3HG GLU 18 -5.372 8.324 -0.617 121 H LYS 19 H LYS 19 -2.899 5.773 -1.572 122 HA LYS 19 HA LYS 19 -1.452 6.861 -3.874 123 1HB LYS 19 2HB LYS 19 -1.343 4.564 -4.688 124 2HB LYS 19 3HB LYS 19 -0.692 4.664 -3.062 125 1HG LYS 19 2HG LYS 19 -2.909 3.837 -2.221 126 2HG LYS 19 3HG LYS 19 -3.355 3.548 -3.907 127 1HD LYS 19 2HD LYS 19 -1.241 2.155 -4.077 128 2HD LYS 19 3HD LYS 19 -1.146 2.260 -2.320 129 1HE LYS 19 2HE LYS 19 -2.237 0.235 -2.710 130 2HE LYS 19 3HE LYS 19 -3.540 1.356 -2.324 131 1HZ LYS 19 1HZ LYS 19 -4.317 0.247 -4.178 132 2HZ LYS 19 2HZ LYS 19 -2.803 0.205 -4.938 133 3HZ LYS 19 3HZ LYS 19 -3.671 1.660 -4.860 134 H LYS 20 H LYS 20 -2.692 7.759 -5.412 135 HA LYS 20 HA LYS 20 -5.441 6.695 -5.695 136 1HB LYS 20 2HB LYS 20 -5.201 8.990 -4.583 137 2HB LYS 20 3HB LYS 20 -4.711 9.579 -6.165 138 1HG LYS 20 2HG LYS 20 -6.849 8.846 -7.099 139 2HG LYS 20 3HG LYS 20 -7.338 8.268 -5.506 140 1HD LYS 20 2HD LYS 20 -6.739 11.119 -6.290 141 2HD LYS 20 3HD LYS 20 -8.323 10.438 -5.916 142 1HE LYS 20 2HE LYS 20 -6.005 10.695 -3.996 143 2HE LYS 20 3HE LYS 20 -7.428 11.731 -4.038 144 1HZ LYS 20 1HZ LYS 20 -7.497 9.972 -2.316 145 2HZ LYS 20 2HZ LYS 20 -7.521 8.800 -3.540 146 3HZ LYS 20 3HZ LYS 20 -8.806 9.906 -3.398 147 H ILE 21 H ILE 21 -5.651 5.717 -7.592 148 HA ILE 21 HA ILE 21 -3.873 6.313 -9.730 149 HB ILE 21 HB ILE 21 -4.501 4.023 -9.255 150 1HG1 ILE 21 2HG1 ILE 21 -5.570 4.907 -11.944 151 2HG1 ILE 21 3HG1 ILE 21 -3.874 4.626 -11.562 152 1HG2 ILE 21 1HG2 ILE 21 -6.803 4.486 -8.470 153 2HG2 ILE 21 2HG2 ILE 21 -7.294 4.717 -10.149 154 3HG2 ILE 21 3HG2 ILE 21 -6.708 3.142 -9.608 155 1HD1 ILE 21 1HD1 ILE 21 -5.075 2.271 -10.822 156 2HD1 ILE 21 2HD1 ILE 21 -5.961 2.745 -12.272 157 3HD1 ILE 21 3HD1 ILE 21 -4.206 2.570 -12.328 158 H GLN 22 H GLN 22 -4.136 7.443 -11.488 159 HA GLN 22 HA GLN 22 -6.627 8.866 -12.025 160 1HB GLN 22 2HB GLN 22 -4.564 10.147 -12.139 161 2HB GLN 22 3HB GLN 22 -3.855 8.980 -13.240 162 1HG GLN 22 2HG GLN 22 -5.597 9.614 -14.911 163 2HG GLN 22 3HG GLN 22 -6.094 10.900 -13.813 164 1HE2 GLN 22 1HE2 GLN 22 -2.908 10.601 -13.300 165 2HE2 GLN 22 2HE2 GLN 22 -2.293 11.751 -14.433 166 H SER 23 H SER 23 -7.631 8.698 -14.149 167 HA SER 23 HA SER 23 -8.233 6.149 -14.917 168 1HB SER 23 2HB SER 23 -8.976 7.297 -17.132 169 2HB SER 23 3HB SER 23 -9.733 7.778 -15.613 170 HG SER 23 HG SER 23 -8.495 9.328 -17.333 171 H ASP 24 H ASP 24 -5.620 8.126 -16.215 172 HA ASP 24 HA ASP 24 -4.979 6.446 -18.424 173 1HB ASP 24 2HB ASP 24 -4.288 8.796 -18.327 174 2HB ASP 24 3HB ASP 24 -3.272 8.453 -16.931 175 H ASN 25 H ASN 25 -4.828 5.842 -15.267 176 HA ASN 25 HA ASN 25 -4.065 4.051 -14.057 177 1HB ASN 25 2HB ASN 25 -3.881 2.983 -16.444 178 2HB ASN 25 3HB ASN 25 -2.155 3.242 -16.231 179 1HD2 ASN 25 1HD2 ASN 25 -4.577 1.079 -15.890 180 2HD2 ASN 25 2HD2 ASN 25 -3.875 0.040 -14.689 181 H ARG 26 H ARG 26 -3.083 6.541 -13.760 182 HA ARG 26 HA ARG 26 -0.234 6.161 -13.164 183 1HB ARG 26 2HB ARG 26 -1.683 8.804 -13.445 184 2HB ARG 26 3HB ARG 26 0.039 8.572 -13.173 185 1HG ARG 26 2HG ARG 26 -1.444 7.686 -15.639 186 2HG ARG 26 3HG ARG 26 -0.498 9.170 -15.500 187 1HD ARG 26 2HD ARG 26 1.518 7.991 -15.268 188 2HD ARG 26 3HD ARG 26 0.689 6.476 -14.916 189 HE ARG 26 HE ARG 26 -0.116 7.154 -17.453 190 1HH1 ARG 26 2HH1 ARG 26 3.013 6.802 -15.929 191 2HH1 ARG 26 1HH1 ARG 26 3.735 6.008 -17.298 192 1HH2 ARG 26 2HH2 ARG 26 0.824 6.089 -19.258 193 2HH2 ARG 26 1HH2 ARG 26 2.495 5.616 -19.189 194 H VAL 27 H VAL 27 -0.006 5.680 -11.031 195 HA VAL 27 HA VAL 27 -2.154 6.481 -9.217 196 HB VAL 27 HB VAL 27 0.262 4.760 -8.646 197 1HG1 VAL 27 1HG1 VAL 27 -2.208 4.571 -7.038 198 2HG1 VAL 27 2HG1 VAL 27 -0.520 4.420 -6.551 199 3HG1 VAL 27 3HG1 VAL 27 -1.224 6.017 -6.812 200 1HG2 VAL 27 1HG2 VAL 27 -1.295 2.857 -8.796 201 2HG2 VAL 27 2HG2 VAL 27 -2.565 3.956 -9.330 202 3HG2 VAL 27 3HG2 VAL 27 -1.136 3.708 -10.333 203 H TYR 28 H TYR 28 -1.942 8.120 -7.771 204 HA TYR 28 HA TYR 28 0.651 9.471 -7.760 205 1HB TYR 28 2HB TYR 28 -2.084 10.344 -6.819 206 2HB TYR 28 3HB TYR 28 -0.623 11.274 -6.506 207 HD1 TYR 28 HD1 TYR 28 -0.302 13.061 -7.897 208 HD2 TYR 28 HD2 TYR 28 -2.218 9.599 -9.456 209 HE1 TYR 28 HE1 TYR 28 -0.546 14.181 -10.069 210 HE2 TYR 28 HE2 TYR 28 -2.462 10.706 -11.633 211 HH TYR 28 HH TYR 28 -0.809 13.491 -12.478 212 H PHE 29 H PHE 29 1.643 10.063 -5.804 213 HA PHE 29 HA PHE 29 0.952 8.329 -3.525 214 1HB PHE 29 2HB PHE 29 3.542 9.867 -3.818 215 2HB PHE 29 3HB PHE 29 3.200 8.545 -2.729 216 HD1 PHE 29 HD1 PHE 29 2.256 8.210 -6.188 217 HD2 PHE 29 HD2 PHE 29 5.361 7.540 -3.383 218 HE1 PHE 29 HE1 PHE 29 3.220 6.514 -7.675 219 HE2 PHE 29 HE2 PHE 29 6.335 5.855 -4.854 220 HZ PHE 29 HZ PHE 29 5.764 5.833 -7.143 221 H VAL 30 H VAL 30 0.552 9.358 -1.534 222 HA VAL 30 HA VAL 30 1.293 12.124 -1.296 223 HB VAL 30 HB VAL 30 -1.631 11.345 -0.946 224 1HG1 VAL 30 1HG1 VAL 30 -2.046 13.353 0.048 225 2HG1 VAL 30 2HG1 VAL 30 -0.407 13.071 0.634 226 3HG1 VAL 30 3HG1 VAL 30 -0.681 14.150 -0.734 227 1HG2 VAL 30 1HG2 VAL 30 -1.210 13.618 -2.639 228 2HG2 VAL 30 2HG2 VAL 30 -0.297 12.240 -3.252 229 3HG2 VAL 30 3HG2 VAL 30 -2.036 12.102 -2.994 230 H ASN 31 H ASN 31 2.526 11.680 0.473 231 HA ASN 31 HA ASN 31 1.217 10.327 2.742 232 1HB ASN 31 2HB ASN 31 3.122 8.989 1.828 233 2HB ASN 31 3HB ASN 31 4.188 10.355 2.141 234 1HD2 ASN 31 1HD2 ASN 31 5.434 9.811 3.772 235 2HD2 ASN 31 2HD2 ASN 31 4.909 9.102 5.260 236 H HIS 32 H HIS 32 1.003 11.720 4.576 237 HA HIS 32 HA HIS 32 2.257 14.309 4.203 238 1HB HIS 32 2HB HIS 32 0.084 13.407 6.111 239 2HB HIS 32 3HB HIS 32 0.576 15.067 5.804 240 HD1 HIS 32 HD1 HIS 32 0.132 15.874 3.215 241 HD2 HIS 32 HD2 HIS 32 -1.959 12.538 4.559 242 HE1 HIS 32 HE1 HIS 32 -1.828 15.622 1.654 243 HE2 HIS 32 HE2 HIS 32 -2.968 13.492 2.378 244 H LYS 33 H LYS 33 3.697 11.895 5.329 245 HA LYS 33 HA LYS 33 3.964 12.290 8.131 246 1HB LYS 33 2HB LYS 33 4.557 10.173 6.945 247 2HB LYS 33 3HB LYS 33 5.934 10.999 6.231 248 1HG LYS 33 2HG LYS 33 6.909 11.329 8.425 249 2HG LYS 33 3HG LYS 33 5.502 10.577 9.182 250 1HD LYS 33 2HD LYS 33 6.006 8.493 7.935 251 2HD LYS 33 3HD LYS 33 7.465 9.260 7.303 252 1HE LYS 33 2HE LYS 33 8.033 7.861 9.188 253 2HE LYS 33 3HE LYS 33 8.278 9.554 9.611 254 1HZ LYS 33 1HZ LYS 33 5.900 7.929 10.351 255 2HZ LYS 33 2HZ LYS 33 6.183 9.542 10.793 256 3HZ LYS 33 3HZ LYS 33 7.186 8.315 11.390 257 H ASN 34 H ASN 34 6.306 12.939 5.501 258 HA ASN 34 HA ASN 34 7.073 15.396 6.924 259 1HB ASN 34 2HB ASN 34 8.863 13.461 5.419 260 2HB ASN 34 3HB ASN 34 9.363 15.077 5.895 261 1HD2 ASN 34 1HD2 ASN 34 7.564 14.455 8.403 262 2HD2 ASN 34 2HD2 ASN 34 8.670 13.613 9.431 263 H ARG 35 H ARG 35 5.086 14.733 4.925 264 HA ARG 35 HA ARG 35 4.173 15.471 2.996 265 1HB ARG 35 2HB ARG 35 6.398 17.507 3.116 266 2HB ARG 35 3HB ARG 35 5.099 17.535 1.934 267 1HG ARG 35 2HG ARG 35 3.493 17.664 3.860 268 2HG ARG 35 3HG ARG 35 4.895 17.912 4.906 269 1HD ARG 35 2HD ARG 35 5.523 19.880 3.615 270 2HD ARG 35 3HD ARG 35 4.155 19.622 2.535 271 HE ARG 35 HE ARG 35 3.309 19.846 5.244 272 1HH1 ARG 35 2HH1 ARG 35 4.419 21.734 2.505 273 2HH1 ARG 35 1HH1 ARG 35 3.579 23.179 2.993 274 1HH2 ARG 35 2HH2 ARG 35 2.197 21.740 5.891 275 2HH2 ARG 35 1HH2 ARG 35 2.320 23.182 4.926 276 H THR 36 H THR 36 4.321 13.979 1.430 277 HA THR 36 HA THR 36 6.526 14.259 -0.414 278 HB THR 36 HB THR 36 6.669 11.714 -0.653 279 HG1 THR 36 HG1 THR 36 5.644 10.527 0.745 280 1HG2 THR 36 1HG2 THR 36 8.425 13.219 0.347 281 2HG2 THR 36 2HG2 THR 36 8.464 11.540 0.887 282 3HG2 THR 36 3HG2 THR 36 7.778 12.785 1.930 283 H THR 37 H THR 37 5.665 14.457 -2.368 284 HA THR 37 HA THR 37 3.185 13.004 -3.000 285 HB THR 37 HB THR 37 3.865 15.656 -4.268 286 HG1 THR 37 HG1 THR 37 2.694 15.156 -1.757 287 1HG2 THR 37 1HG2 THR 37 1.279 14.135 -3.924 288 2HG2 THR 37 2HG2 THR 37 2.215 14.277 -5.410 289 3HG2 THR 37 3HG2 THR 37 1.444 15.702 -4.715 290 H GLN 38 H GLN 38 3.135 12.179 -5.194 291 HA GLN 38 HA GLN 38 5.227 12.612 -7.070 292 1HB GLN 38 2HB GLN 38 6.614 11.504 -5.395 293 2HB GLN 38 3HB GLN 38 5.498 10.151 -5.330 294 1HG GLN 38 2HG GLN 38 6.041 9.642 -7.684 295 2HG GLN 38 3HG GLN 38 7.232 10.943 -7.657 296 1HE2 GLN 38 1HE2 GLN 38 7.252 9.751 -4.634 297 2HE2 GLN 38 2HE2 GLN 38 8.509 8.566 -4.782 298 H TRP 39 H TRP 39 4.862 11.489 -9.037 299 HA TRP 39 HA TRP 39 2.369 9.944 -9.116 300 1HB TRP 39 2HB TRP 39 2.437 10.278 -11.569 301 2HB TRP 39 3HB TRP 39 2.387 11.787 -10.669 302 HD1 TRP 39 HD1 TRP 39 5.187 9.567 -12.228 303 HE1 TRP 39 HE1 TRP 39 6.910 11.134 -13.318 304 HE3 TRP 39 HE3 TRP 39 3.059 14.054 -11.022 305 HZ2 TRP 39 HZ2 TRP 39 7.305 13.912 -13.630 306 HZ3 TRP 39 HZ3 TRP 39 4.172 16.120 -11.762 307 HH2 TRP 39 HH2 TRP 39 6.250 16.050 -13.037 308 H GLU 40 H GLU 40 2.210 7.975 -10.141 309 HA GLU 40 HA GLU 40 3.012 6.149 -11.477 310 1HB GLU 40 2HB GLU 40 5.649 6.808 -10.201 311 2HB GLU 40 3HB GLU 40 5.327 5.206 -10.853 312 1HG GLU 40 2HG GLU 40 4.757 6.298 -13.030 313 2HG GLU 40 3HG GLU 40 5.317 7.819 -12.342 314 H ASP 41 H ASP 41 4.982 4.698 -9.281 315 HA ASP 41 HA ASP 41 2.847 4.097 -7.352 316 1HB ASP 41 2HB ASP 41 2.801 1.765 -7.869 317 2HB ASP 41 3HB ASP 41 2.607 2.627 -9.389 318 HA PRO 42 HA PRO 42 6.350 4.161 -4.653 319 1HB PRO 42 2HB PRO 42 4.593 2.617 -2.795 320 2HB PRO 42 3HB PRO 42 5.442 4.145 -2.531 321 1HG PRO 42 2HG PRO 42 2.837 4.220 -2.904 322 2HG PRO 42 3HG PRO 42 3.880 5.364 -3.780 323 1HD PRO 42 2HD PRO 42 2.737 2.758 -4.777 324 2HD PRO 42 3HD PRO 42 2.649 4.378 -5.540 325 H ARG 43 H ARG 43 6.370 1.992 -6.539 326 HA ARG 43 HA ARG 43 8.416 0.456 -5.481 327 1HB ARG 43 2HB ARG 43 6.277 -0.563 -4.344 328 2HB ARG 43 3HB ARG 43 6.082 -1.353 -5.902 329 1HG ARG 43 2HG ARG 43 7.272 -2.694 -4.147 330 2HG ARG 43 3HG ARG 43 8.135 -2.514 -5.674 331 1HD ARG 43 2HD ARG 43 9.537 -2.224 -3.617 332 2HD ARG 43 3HD ARG 43 9.596 -0.885 -4.761 333 HE ARG 43 HE ARG 43 7.617 -0.440 -2.760 334 1HH1 ARG 43 2HH1 ARG 43 11.093 -0.516 -3.180 335 2HH1 ARG 43 1HH1 ARG 43 11.379 0.836 -2.116 336 1HH2 ARG 43 2HH2 ARG 43 7.985 1.347 -1.388 337 2HH2 ARG 43 1HH2 ARG 43 9.603 1.921 -1.135 338 H THR 44 H THR 44 7.062 -1.891 -7.146 339 HA THR 44 HA THR 44 7.477 -0.689 -9.781 340 HB THR 44 HB THR 44 9.514 -1.922 -9.240 341 HG1 THR 44 HG1 THR 44 9.517 -2.509 -11.251 342 1HG2 THR 44 1HG2 THR 44 8.517 -3.480 -7.592 343 2HG2 THR 44 2HG2 THR 44 9.536 -4.290 -8.782 344 3HG2 THR 44 3HG2 THR 44 7.780 -4.370 -8.924 345 H GLN 45 H GLN 45 5.086 -0.900 -8.552 346 HA GLN 45 HA GLN 45 3.706 -2.701 -10.365 347 1HB GLN 45 2HB GLN 45 3.720 -3.159 -7.434 348 2HB GLN 45 3HB GLN 45 2.187 -3.354 -8.272 349 1HG GLN 45 2HG GLN 45 4.747 -4.777 -8.949 350 2HG GLN 45 3HG GLN 45 3.385 -5.459 -8.059 351 1HE2 GLN 45 1HE2 GLN 45 4.794 -5.191 -11.033 352 2HE2 GLN 45 2HE2 GLN 45 3.439 -5.613 -12.023 353 H GLY 46 H GLY 46 1.930 -1.841 -11.113 354 1HA GLY 46 1HA GLY 46 0.741 0.450 -9.672 355 2HA GLY 46 2HA GLY 46 0.962 0.476 -11.417 356 H GLN 47 H GLN 47 0.255 -2.312 -11.761 357 HA GLN 47 HA GLN 47 -2.636 -2.109 -11.723 358 1HB GLN 47 2HB GLN 47 -0.740 -4.277 -12.644 359 2HB GLN 47 3HB GLN 47 -2.490 -4.433 -12.699 360 1HG GLN 47 2HG GLN 47 -0.895 -2.314 -14.126 361 2HG GLN 47 3HG GLN 47 -1.513 -3.793 -14.862 362 1HE2 GLN 47 1HE2 GLN 47 -3.318 -3.525 -15.955 363 2HE2 GLN 47 2HE2 GLN 47 -4.561 -2.371 -15.608 364 H GLU 48 H GLU 48 -0.023 -3.743 -10.088 365 HA GLU 48 HA GLU 48 0.161 -4.719 -8.059 366 1HB GLU 48 2HB GLU 48 -2.656 -3.717 -7.625 367 2HB GLU 48 3HB GLU 48 -1.590 -4.341 -6.375 368 1HG GLU 48 2HG GLU 48 -0.156 -2.480 -6.538 369 2HG GLU 48 3HG GLU 48 -0.905 -1.943 -8.043 370 H VAL 49 H VAL 49 -2.997 -5.454 -7.369 371 HA VAL 49 HA VAL 49 -4.390 -7.247 -7.699 372 HB VAL 49 HB VAL 49 -2.318 -8.211 -9.669 373 1HG1 VAL 49 1HG1 VAL 49 -4.838 -9.570 -8.732 374 2HG1 VAL 49 2HG1 VAL 49 -4.024 -9.971 -10.245 375 3HG1 VAL 49 3HG1 VAL 49 -3.191 -10.199 -8.709 376 1HG2 VAL 49 1HG2 VAL 49 -5.192 -7.503 -10.191 377 2HG2 VAL 49 2HG2 VAL 49 -3.909 -6.293 -10.216 378 3HG2 VAL 49 3HG2 VAL 49 -3.864 -7.647 -11.343 379 H SER 50 H SER 50 -0.974 -8.291 -7.656 380 HA SER 50 HA SER 50 -1.430 -10.248 -5.609 381 1HB SER 50 2HB SER 50 0.559 -10.248 -7.162 382 2HB SER 50 3HB SER 50 1.163 -8.836 -6.298 383 HG SER 50 HG SER 50 0.473 -10.934 -4.654 384 H LEU 51 H LEU 51 -0.572 -6.877 -5.819 385 HA LEU 51 HA LEU 51 -0.461 -6.553 -2.927 386 1HB LEU 51 2HB LEU 51 -0.269 -4.371 -5.002 387 2HB LEU 51 3HB LEU 51 0.275 -4.318 -3.343 388 HG LEU 51 HG LEU 51 2.230 -4.423 -4.617 389 1HD1 LEU 51 1HD1 LEU 51 1.473 -6.919 -3.272 390 2HD1 LEU 51 2HD1 LEU 51 2.875 -7.007 -4.339 391 3HD1 LEU 51 3HD1 LEU 51 2.849 -5.846 -3.011 392 1HD2 LEU 51 1HD2 LEU 51 2.620 -6.147 -6.370 393 2HD2 LEU 51 2HD2 LEU 51 0.916 -6.583 -6.246 394 3HD2 LEU 51 3HD2 LEU 51 1.375 -4.963 -6.769 395 H ILE 52 H ILE 52 -2.965 -7.232 -4.497 396 HA ILE 52 HA ILE 52 -4.510 -4.813 -4.407 397 HB ILE 52 HB ILE 52 -4.773 -7.290 -5.745 398 1HG1 ILE 52 2HG1 ILE 52 -4.952 -5.184 -6.842 399 2HG1 ILE 52 3HG1 ILE 52 -6.549 -5.933 -6.950 400 1HG2 ILE 52 1HG2 ILE 52 -6.289 -8.028 -3.973 401 2HG2 ILE 52 2HG2 ILE 52 -7.250 -6.563 -4.180 402 3HG2 ILE 52 3HG2 ILE 52 -7.161 -7.750 -5.482 403 1HD1 ILE 52 1HD1 ILE 52 -7.487 -4.229 -5.888 404 2HD1 ILE 52 2HD1 ILE 52 -6.330 -4.338 -4.562 405 3HD1 ILE 52 3HD1 ILE 52 -5.940 -3.390 -5.997 406 H ASN 53 H ASN 53 -4.197 -7.675 -2.395 407 HA ASN 53 HA ASN 53 -6.478 -7.547 -0.827 408 1HB ASN 53 2HB ASN 53 -3.667 -8.400 -0.282 409 2HB ASN 53 3HB ASN 53 -4.738 -8.180 1.097 410 1HD2 ASN 53 1HD2 ASN 53 -5.617 -9.968 1.744 411 2HD2 ASN 53 2HD2 ASN 53 -6.116 -11.298 0.747 412 H GLU 54 H GLU 54 -3.364 -6.139 0.051 413 HA GLU 54 HA GLU 54 -4.343 -4.236 1.816 414 1HB GLU 54 2HB GLU 54 -2.106 -3.150 1.489 415 2HB GLU 54 3HB GLU 54 -2.036 -4.856 1.885 416 1HG GLU 54 2HG GLU 54 -1.933 -4.021 -0.976 417 2HG GLU 54 3HG GLU 54 -0.502 -3.832 0.030 418 H GLY 55 H GLY 55 -6.205 -3.395 0.671 419 1HA GLY 55 1HA GLY 55 -6.117 -1.989 -1.745 420 2HA GLY 55 2HA GLY 55 -7.320 -1.770 -0.484 421 HA PRO 56 HA PRO 56 -5.529 2.133 0.721 422 1HB PRO 56 2HB PRO 56 -4.601 1.299 3.379 423 2HB PRO 56 3HB PRO 56 -5.878 2.442 2.952 424 1HG PRO 56 2HG PRO 56 -6.406 0.033 4.047 425 2HG PRO 56 3HG PRO 56 -7.499 0.814 2.889 426 1HD PRO 56 2HD PRO 56 -5.530 -1.397 2.449 427 2HD PRO 56 3HD PRO 56 -7.167 -1.198 1.790 428 H LEU 57 H LEU 57 -3.590 -0.284 2.313 429 HA LEU 57 HA LEU 57 -1.127 0.882 2.324 430 1HB LEU 57 2HB LEU 57 -1.696 -2.053 1.923 431 2HB LEU 57 3HB LEU 57 -0.235 -1.358 2.604 432 HG LEU 57 HG LEU 57 -2.882 -0.832 3.907 433 1HD1 LEU 57 1HD1 LEU 57 -1.258 -3.092 4.891 434 2HD1 LEU 57 2HD1 LEU 57 -2.999 -2.829 4.954 435 3HD1 LEU 57 3HD1 LEU 57 -2.244 -3.370 3.456 436 1HD2 LEU 57 1HD2 LEU 57 -1.385 -0.795 5.921 437 2HD2 LEU 57 2HD2 LEU 57 -0.017 -0.906 4.812 438 3HD2 LEU 57 3HD2 LEU 57 -1.099 0.484 4.740 439 HA PRO 58 HA PRO 58 0.034 1.174 -1.898 440 1HB PRO 58 2HB PRO 58 2.733 1.414 -1.635 441 2HB PRO 58 3HB PRO 58 1.600 2.709 -1.234 442 1HG PRO 58 2HG PRO 58 2.951 0.746 0.578 443 2HG PRO 58 3HG PRO 58 2.704 2.489 0.801 444 1HD PRO 58 2HD PRO 58 1.142 0.647 2.008 445 2HD PRO 58 3HD PRO 58 0.511 2.219 1.473 446 HA PRO 59 HA PRO 59 1.268 -2.789 -3.670 447 1HB PRO 59 2HB PRO 59 2.752 -1.749 -5.758 448 2HB PRO 59 3HB PRO 59 0.999 -1.964 -5.783 449 1HG PRO 59 2HG PRO 59 2.599 0.502 -5.209 450 2HG PRO 59 3HG PRO 59 1.123 0.322 -6.177 451 1HD PRO 59 2HD PRO 59 1.020 1.298 -3.699 452 2HD PRO 59 3HD PRO 59 -0.242 0.200 -4.297 453 H GLY 60 H GLY 60 3.410 -0.134 -3.042 454 1HA GLY 60 1HA GLY 60 5.893 -1.049 -3.402 455 2HA GLY 60 2HA GLY 60 5.486 0.022 -2.076 456 H TRP 61 H TRP 61 3.830 -2.030 -0.823 457 HA TRP 61 HA TRP 61 5.940 -3.932 -0.136 458 1HB TRP 61 2HB TRP 61 5.525 -4.010 2.188 459 2HB TRP 61 3HB TRP 61 5.792 -2.336 1.744 460 HD1 TRP 61 HD1 TRP 61 3.748 -0.649 2.045 461 HE1 TRP 61 HE1 TRP 61 1.619 -0.876 3.585 462 HE3 TRP 61 HE3 TRP 61 3.850 -5.662 2.969 463 HZ2 TRP 61 HZ2 TRP 61 0.162 -2.878 4.801 464 HZ3 TRP 61 HZ3 TRP 61 2.044 -6.656 4.321 465 HH2 TRP 61 HH2 TRP 61 0.249 -5.292 5.225 466 H GLU 62 H GLU 62 5.031 -5.975 0.942 467 HA GLU 62 HA GLU 62 2.623 -6.721 -0.593 468 1HB GLU 62 2HB GLU 62 3.752 -8.775 -1.226 469 2HB GLU 62 3HB GLU 62 4.752 -7.401 -1.671 470 1HG GLU 62 2HG GLU 62 6.082 -7.775 0.383 471 2HG GLU 62 3HG GLU 62 5.134 -9.230 0.682 472 H ILE 63 H ILE 63 1.453 -8.589 0.131 473 HA ILE 63 HA ILE 63 1.861 -9.148 2.979 474 HB ILE 63 HB ILE 63 -0.298 -10.005 3.229 475 1HG1 ILE 63 2HG1 ILE 63 -0.329 -11.256 1.014 476 2HG1 ILE 63 3HG1 ILE 63 -1.859 -10.574 1.551 477 1HG2 ILE 63 1HG2 ILE 63 -0.029 -7.504 2.953 478 2HG2 ILE 63 2HG2 ILE 63 -0.786 -7.703 1.373 479 3HG2 ILE 63 3HG2 ILE 63 -1.665 -8.154 2.834 480 1HD1 ILE 63 1HD1 ILE 63 -1.730 -8.834 -0.043 481 2HD1 ILE 63 2HD1 ILE 63 -0.060 -9.238 -0.442 482 3HD1 ILE 63 3HD1 ILE 63 -1.362 -10.344 -0.879 483 H ARG 64 H ARG 64 2.739 -10.962 3.579 484 HA ARG 64 HA ARG 64 3.299 -12.983 1.506 485 1HB ARG 64 2HB ARG 64 5.231 -12.135 2.784 486 2HB ARG 64 3HB ARG 64 4.468 -12.661 4.277 487 1HG ARG 64 2HG ARG 64 4.532 -14.995 3.393 488 2HG ARG 64 3HG ARG 64 5.486 -14.385 2.037 489 1HD ARG 64 2HD ARG 64 7.149 -13.525 3.644 490 2HD ARG 64 3HD ARG 64 6.215 -14.237 4.959 491 HE ARG 64 HE ARG 64 6.864 -16.177 2.986 492 1HH1 ARG 64 2HH1 ARG 64 8.118 -14.444 5.749 493 2HH1 ARG 64 1HH1 ARG 64 9.401 -15.577 6.046 494 1HH2 ARG 64 2HH2 ARG 64 8.523 -17.686 3.363 495 2HH2 ARG 64 1HH2 ARG 64 9.634 -17.439 4.682 496 H TYR 65 H TYR 65 1.870 -14.608 1.423 497 HA TYR 65 HA TYR 65 0.080 -15.044 3.591 498 1HB TYR 65 2HB TYR 65 -0.639 -17.040 2.057 499 2HB TYR 65 3HB TYR 65 -0.993 -15.385 1.588 500 HD1 TYR 65 HD1 TYR 65 1.575 -18.039 1.121 501 HD2 TYR 65 HD2 TYR 65 -0.408 -14.677 -0.563 502 HE1 TYR 65 HE1 TYR 65 2.753 -18.417 -1.002 503 HE2 TYR 65 HE2 TYR 65 0.757 -15.046 -2.695 504 HH TYR 65 HH TYR 65 2.757 -16.102 -3.538 505 H THR 66 H THR 66 0.575 -16.090 5.372 506 HA THR 66 HA THR 66 2.527 -18.273 5.244 507 HB THR 66 HB THR 66 1.171 -17.113 7.690 508 HG1 THR 66 HG1 THR 66 2.659 -15.739 6.302 509 1HG2 THR 66 1HG2 THR 66 2.971 -18.180 8.924 510 2HG2 THR 66 2HG2 THR 66 3.670 -18.788 7.422 511 3HG2 THR 66 3HG2 THR 66 2.103 -19.384 7.971 512 H ALA 67 H ALA 67 1.998 -20.332 5.495 513 HA ALA 67 HA ALA 67 -0.142 -21.313 4.401 514 1HB ALA 67 1HB ALA 67 1.597 -22.798 4.801 515 2HB ALA 67 2HB ALA 67 1.485 -22.605 6.550 516 3HB ALA 67 3HB ALA 67 0.228 -23.481 5.675 517 H ALA 68 H ALA 68 -0.185 -20.558 7.857 518 HA ALA 68 HA ALA 68 -2.640 -21.869 8.393 519 1HB ALA 68 1HB ALA 68 -2.315 -21.204 10.505 520 2HB ALA 68 2HB ALA 68 -0.743 -20.651 9.925 521 3HB ALA 68 3HB ALA 68 -2.089 -19.516 10.040 522 H GLY 69 H GLY 69 -1.974 -19.143 6.573 523 1HA GLY 69 1HA GLY 69 -3.677 -18.257 5.189 524 2HA GLY 69 2HA GLY 69 -4.840 -18.537 6.474 525 H GLU 70 H GLU 70 -1.840 -17.037 7.335 526 HA GLU 70 HA GLU 70 -3.315 -14.518 7.666 527 1HB GLU 70 2HB GLU 70 -0.938 -15.676 9.078 528 2HB GLU 70 3HB GLU 70 -1.221 -13.941 9.096 529 1HG GLU 70 2HG GLU 70 -2.170 -14.762 11.072 530 2HG GLU 70 3HG GLU 70 -3.526 -14.455 9.989 531 H ARG 71 H ARG 71 -2.782 -12.736 6.587 532 HA ARG 71 HA ARG 71 -0.629 -12.898 4.641 533 1HB ARG 71 2HB ARG 71 -2.387 -10.503 5.165 534 2HB ARG 71 3HB ARG 71 -1.537 -10.923 3.686 535 1HG ARG 71 2HG ARG 71 -3.834 -12.503 4.817 536 2HG ARG 71 3HG ARG 71 -3.997 -11.246 3.592 537 1HD ARG 71 2HD ARG 71 -2.905 -12.506 1.975 538 2HD ARG 71 3HD ARG 71 -2.111 -13.531 3.173 539 HE ARG 71 HE ARG 71 -4.776 -14.024 3.515 540 1HH1 ARG 71 2HH1 ARG 71 -2.686 -14.140 0.694 541 2HH1 ARG 71 1HH1 ARG 71 -3.474 -15.545 0.033 542 1HH2 ARG 71 2HH2 ARG 71 -5.807 -15.818 2.638 543 2HH2 ARG 71 1HH2 ARG 71 -5.245 -16.501 1.140 544 H PHE 72 H PHE 72 1.330 -12.621 5.531 545 HA PHE 72 HA PHE 72 1.744 -10.797 7.742 546 1HB PHE 72 2HB PHE 72 3.576 -12.631 6.205 547 2HB PHE 72 3HB PHE 72 4.196 -11.454 7.357 548 HD1 PHE 72 HD1 PHE 72 1.098 -13.449 7.649 549 HD2 PHE 72 HD2 PHE 72 5.080 -12.852 9.019 550 HE1 PHE 72 HE1 PHE 72 0.702 -15.037 9.484 551 HE2 PHE 72 HE2 PHE 72 4.692 -14.438 10.855 552 HZ PHE 72 HZ PHE 72 2.556 -15.569 11.066 553 H PHE 73 H PHE 73 3.602 -9.238 7.547 554 HA PHE 73 HA PHE 73 3.138 -7.664 5.132 555 1HB PHE 73 2HB PHE 73 2.748 -6.184 6.791 556 2HB PHE 73 3HB PHE 73 3.616 -7.142 7.977 557 HD1 PHE 73 HD1 PHE 73 4.286 -4.966 5.041 558 HD2 PHE 73 HD2 PHE 73 5.509 -6.235 8.905 559 HE1 PHE 73 HE1 PHE 73 6.152 -3.367 4.968 560 HE2 PHE 73 HE2 PHE 73 7.377 -4.638 8.841 561 HZ PHE 73 HZ PHE 73 7.559 -3.047 7.043 562 H VAL 74 H VAL 74 4.687 -7.397 3.627 563 HA VAL 74 HA VAL 74 7.485 -7.723 4.433 564 HB VAL 74 HB VAL 74 6.327 -8.750 1.827 565 1HG1 VAL 74 1HG1 VAL 74 8.619 -7.855 1.666 566 2HG1 VAL 74 2HG1 VAL 74 9.126 -8.979 2.927 567 3HG1 VAL 74 3HG1 VAL 74 8.550 -9.593 1.378 568 1HG2 VAL 74 1HG2 VAL 74 7.637 -10.756 3.390 569 2HG2 VAL 74 2HG2 VAL 74 6.370 -9.991 4.350 570 3HG2 VAL 74 3HG2 VAL 74 5.979 -10.719 2.791 571 H ASP 75 H ASP 75 8.159 -5.701 4.280 572 HA ASP 75 HA ASP 75 7.455 -4.154 1.891 573 1HB ASP 75 2HB ASP 75 7.646 -2.196 3.028 574 2HB ASP 75 3HB ASP 75 7.285 -3.224 4.404 575 H HIS 76 H HIS 76 9.053 -3.269 0.616 576 HA HIS 76 HA HIS 76 11.789 -3.995 1.296 577 1HB HIS 76 2HB HIS 76 12.140 -4.152 -1.318 578 2HB HIS 76 3HB HIS 76 11.676 -5.555 -0.370 579 HD1 HIS 76 HD1 HIS 76 8.858 -5.816 -0.334 580 HD2 HIS 76 HD2 HIS 76 10.698 -3.991 -3.575 581 HE1 HIS 76 HE1 HIS 76 7.218 -5.996 -2.221 582 HE2 HIS 76 HE2 HIS 76 8.482 -5.162 -4.234 583 H ASN 77 H ASN 77 10.786 -1.802 2.033 584 HA ASN 77 HA ASN 77 12.039 0.204 0.278 585 1HB ASN 77 2HB ASN 77 10.689 1.978 1.250 586 2HB ASN 77 3HB ASN 77 9.640 0.760 0.540 587 1HD2 ASN 77 1HD2 ASN 77 8.163 -0.214 1.780 588 2HD2 ASN 77 2HD2 ASN 77 7.947 0.076 3.469 589 H THR 78 H THR 78 11.589 -1.214 3.395 590 HA THR 78 HA THR 78 14.128 -0.011 4.280 591 HB THR 78 HB THR 78 11.887 -0.721 6.186 592 HG1 THR 78 HG1 THR 78 11.310 1.059 4.769 593 1HG2 THR 78 1HG2 THR 78 13.167 0.226 7.860 594 2HG2 THR 78 2HG2 THR 78 14.092 1.222 6.735 595 3HG2 THR 78 3HG2 THR 78 14.412 -0.510 6.848 596 H ARG 79 H ARG 79 12.432 -2.681 3.389 597 HA ARG 79 HA ARG 79 12.716 -4.917 3.459 598 1HB ARG 79 2HB ARG 79 15.147 -4.227 3.062 599 2HB ARG 79 3HB ARG 79 15.390 -4.494 4.785 600 1HG ARG 79 2HG ARG 79 16.057 -6.440 3.482 601 2HG ARG 79 3HG ARG 79 14.692 -6.817 4.537 602 1HD ARG 79 2HD ARG 79 14.340 -7.789 2.344 603 2HD ARG 79 3HD ARG 79 13.164 -6.508 2.635 604 HE ARG 79 HE ARG 79 14.165 -5.216 0.995 605 1HH1 ARG 79 2HH1 ARG 79 15.994 -8.172 1.506 606 2HH1 ARG 79 1HH1 ARG 79 17.041 -7.902 0.138 607 1HH2 ARG 79 2HH2 ARG 79 15.507 -4.888 -0.816 608 2HH2 ARG 79 1HH2 ARG 79 16.752 -6.048 -1.186 609 H ARG 80 H ARG 80 11.082 -5.319 4.891 610 HA ARG 80 HA ARG 80 11.848 -6.172 7.545 611 1HB ARG 80 2HB ARG 80 11.480 -3.722 7.749 612 2HB ARG 80 3HB ARG 80 9.859 -3.932 7.106 613 1HG ARG 80 2HG ARG 80 9.316 -5.360 9.051 614 2HG ARG 80 3HG ARG 80 10.919 -5.010 9.708 615 1HD ARG 80 2HD ARG 80 10.348 -2.581 9.603 616 2HD ARG 80 3HD ARG 80 8.710 -3.040 9.141 617 HE ARG 80 HE ARG 80 8.268 -3.460 11.330 618 1HH1 ARG 80 2HH1 ARG 80 11.748 -3.610 10.879 619 2HH1 ARG 80 1HH1 ARG 80 12.089 -3.831 12.568 620 1HH2 ARG 80 2HH2 ARG 80 8.707 -3.753 13.553 621 2HH2 ARG 80 1HH2 ARG 80 10.354 -3.905 14.098 622 H THR 81 H THR 81 10.661 -7.873 8.083 623 HA THR 81 HA THR 81 8.041 -8.164 6.787 624 HB THR 81 HB THR 81 8.348 -10.586 6.737 625 HG1 THR 81 HG1 THR 81 10.822 -11.098 6.989 626 1HG2 THR 81 1HG2 THR 81 8.948 -9.976 4.658 627 2HG2 THR 81 2HG2 THR 81 10.567 -10.431 5.192 628 3HG2 THR 81 3HG2 THR 81 10.064 -8.740 5.239 629 H THR 82 H THR 82 6.390 -8.894 8.120 630 HA THR 82 HA THR 82 6.825 -9.612 10.895 631 HB THR 82 HB THR 82 5.550 -6.932 10.255 632 HG1 THR 82 HG1 THR 82 8.154 -7.538 10.465 633 1HG2 THR 82 1HG2 THR 82 6.440 -7.983 12.931 634 2HG2 THR 82 2HG2 THR 82 4.799 -8.186 12.316 635 3HG2 THR 82 3HG2 THR 82 5.444 -6.569 12.593 636 H PHE 83 H PHE 83 4.835 -10.222 11.935 637 HA PHE 83 HA PHE 83 2.765 -11.202 10.273 638 1HB PHE 83 2HB PHE 83 3.140 -12.193 12.440 639 2HB PHE 83 3HB PHE 83 2.886 -10.652 13.248 640 HD1 PHE 83 HD1 PHE 83 0.913 -12.511 10.677 641 HD2 PHE 83 HD2 PHE 83 1.025 -10.785 14.562 642 HE1 PHE 83 HE1 PHE 83 -1.460 -13.067 10.987 643 HE2 PHE 83 HE2 PHE 83 -1.352 -11.340 14.879 644 HZ PHE 83 HZ PHE 83 -2.598 -12.482 13.090 645 H GLU 84 H GLU 84 3.022 -8.331 12.311 646 HA GLU 84 HA GLU 84 0.742 -7.144 10.866 647 1HB GLU 84 2HB GLU 84 1.700 -6.568 13.678 648 2HB GLU 84 3HB GLU 84 0.408 -5.703 12.859 649 1HG GLU 84 2HG GLU 84 -0.915 -7.734 12.751 650 2HG GLU 84 3HG GLU 84 0.390 -8.642 13.511 651 H ASP 85 H ASP 85 1.621 -4.654 12.439 652 HA ASP 85 HA ASP 85 3.342 -3.112 12.539 653 1HB ASP 85 2HB ASP 85 5.017 -4.605 11.513 654 2HB ASP 85 3HB ASP 85 4.406 -4.175 9.921 655 HA PRO 86 HA PRO 86 1.997 -0.570 8.747 656 1HB PRO 86 2HB PRO 86 0.564 -2.342 6.898 657 2HB PRO 86 3HB PRO 86 1.866 -1.196 6.571 658 1HG PRO 86 2HG PRO 86 2.245 -3.859 6.469 659 2HG PRO 86 3HG PRO 86 3.517 -2.744 7.001 660 1HD PRO 86 2HD PRO 86 1.697 -4.469 8.646 661 2HD PRO 86 3HD PRO 86 3.429 -4.142 8.856 662 H ARG 87 H ARG 87 -0.658 -2.316 7.508 663 HA ARG 87 HA ARG 87 -2.542 -0.644 8.745 664 1HB ARG 87 2HB ARG 87 -3.088 -1.576 6.629 665 2HB ARG 87 3HB ARG 87 -2.863 -3.218 7.214 666 1HG ARG 87 2HG ARG 87 -4.852 -3.138 8.488 667 2HG ARG 87 3HG ARG 87 -5.002 -1.393 8.272 668 1HD ARG 87 2HD ARG 87 -6.569 -2.659 6.859 669 2HD ARG 87 3HD ARG 87 -5.448 -1.684 5.916 670 HE ARG 87 HE ARG 87 -4.298 -4.189 6.086 671 1HH1 ARG 87 2HH1 ARG 87 -7.315 -2.860 4.884 672 2HH1 ARG 87 1HH1 ARG 87 -7.487 -4.054 3.626 673 1HH2 ARG 87 2HH2 ARG 87 -4.503 -5.733 4.401 674 2HH2 ARG 87 1HH2 ARG 87 -5.905 -5.696 3.371 675 HA PRO 88 HA PRO 88 -3.823 -4.449 11.501 676 1HB PRO 88 2HB PRO 88 -1.271 -5.933 11.713 677 2HB PRO 88 3HB PRO 88 -2.916 -6.545 11.516 678 1HG PRO 88 2HG PRO 88 -1.171 -6.613 9.499 679 2HG PRO 88 3HG PRO 88 -2.888 -6.260 9.219 680 1HD PRO 88 2HD PRO 88 -0.560 -4.380 9.332 681 2HD PRO 88 3HD PRO 88 -1.945 -4.392 8.220
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