NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
5327 | 1h4b | 5707 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 1H ALA 1 8.987 -14.476 2.341 2 H2 ALA 1 3H ALA 1 10.652 -14.178 2.467 3 H3 ALA 1 2H ALA 1 9.712 -14.349 3.872 4 HA ALA 1 HA ALA 1 8.788 -12.283 3.709 5 1HB ALA 1 1HB ALA 1 11.002 -11.693 4.137 6 2HB ALA 1 2HB ALA 1 10.689 -10.783 2.659 7 3HB ALA 1 3HB ALA 1 11.572 -12.307 2.585 8 H ASP 2 H ASP 2 9.620 -13.671 0.622 9 HA ASP 2 HA ASP 2 8.904 -11.616 -1.157 10 1HB ASP 2 2HB ASP 2 8.435 -14.604 -1.348 11 2HB ASP 2 1HB ASP 2 8.172 -13.490 -2.690 12 H ASP 3 H ASP 3 6.869 -13.604 0.890 13 HA ASP 3 HA ASP 3 4.375 -13.010 -0.432 14 1HB ASP 3 2HB ASP 3 5.033 -13.878 2.394 15 2HB ASP 3 1HB ASP 3 3.382 -13.683 1.806 16 H HIS 4 H HIS 4 3.102 -11.204 -0.267 17 HA HIS 4 HA HIS 4 4.023 -9.077 1.620 18 1HB HIS 4 2HB HIS 4 2.370 -7.772 -0.107 19 2HB HIS 4 1HB HIS 4 4.106 -7.923 -0.350 20 HD1 HIS 4 HD1 HIS 4 0.820 -9.379 -1.487 21 HD2 HIS 4 HD2 HIS 4 4.864 -9.646 -2.458 22 HE1 HIS 4 HE1 HIS 4 0.949 -10.666 -3.664 23 HA PRO 5 HA PRO 5 0.142 -9.006 3.753 24 1HB PRO 5 2HB PRO 5 -0.574 -6.397 3.762 25 2HB PRO 5 1HB PRO 5 0.745 -7.032 4.749 26 1HG PRO 5 2HG PRO 5 0.863 -5.610 2.113 27 2HG PRO 5 1HG PRO 5 1.866 -5.372 3.547 28 1HD PRO 5 1HD PRO 5 2.736 -6.805 1.438 29 2HD PRO 5 2HD PRO 5 3.182 -7.228 3.092 30 H GLN 6 H GLN 6 0.264 -7.593 0.564 31 HA GLN 6 HA GLN 6 -2.524 -7.149 0.150 32 1HB GLN 6 2HB GLN 6 -0.149 -7.618 -1.618 33 2HB GLN 6 1HB GLN 6 -1.761 -7.690 -2.329 34 1HG GLN 6 2HG GLN 6 -2.255 -5.446 -1.681 35 2HG GLN 6 1HG GLN 6 -0.859 -5.376 -0.604 36 1HE2 GLN 6 1HE2 GLN 6 1.344 -5.723 -1.815 37 2HE2 GLN 6 2HE2 GLN 6 1.488 -4.995 -3.341 38 H ASP 7 H ASP 7 -0.476 -10.009 -0.286 39 HA ASP 7 HA ASP 7 -2.408 -11.686 -1.524 40 1HB ASP 7 2HB ASP 7 -0.067 -12.289 0.290 41 2HB ASP 7 1HB ASP 7 -1.062 -13.563 -0.414 42 H LYS 8 H LYS 8 -1.657 -11.218 1.924 43 HA LYS 8 HA LYS 8 -3.472 -13.039 3.037 44 1HB LYS 8 2HB LYS 8 -2.419 -10.376 3.942 45 2HB LYS 8 1HB LYS 8 -3.672 -11.182 4.888 46 1HG LYS 8 2HG LYS 8 -2.146 -13.273 4.731 47 2HG LYS 8 1HG LYS 8 -0.882 -12.139 4.259 48 1HD LYS 8 2HD LYS 8 -1.422 -10.811 6.342 49 2HD LYS 8 1HD LYS 8 -2.480 -12.134 6.834 50 1HE LYS 8 2HE LYS 8 -0.630 -13.027 7.794 51 2HE LYS 8 1HE LYS 8 -0.145 -13.448 6.152 52 1HZ LYS 8 3HZ LYS 8 0.520 -10.786 6.515 53 2HZ LYS 8 2HZ LYS 8 1.027 -11.588 7.924 54 3HZ LYS 8 1HZ LYS 8 1.579 -12.106 6.403 55 H ALA 9 H ALA 9 -4.076 -9.773 1.816 56 HA ALA 9 HA ALA 9 -6.736 -9.436 2.664 57 1HB ALA 9 1HB ALA 9 -5.980 -8.654 -0.133 58 2HB ALA 9 3HB ALA 9 -6.899 -7.745 1.067 59 3HB ALA 9 2HB ALA 9 -5.148 -7.887 1.219 60 H GLU 10 H GLU 10 -5.460 -11.182 -0.134 61 HA GLU 10 HA GLU 10 -8.028 -11.929 -1.201 62 1HB GLU 10 2HB GLU 10 -5.369 -13.361 -1.479 63 2HB GLU 10 1HB GLU 10 -6.779 -13.582 -2.515 64 1HG GLU 10 2HG GLU 10 -5.293 -10.963 -2.145 65 2HG GLU 10 1HG GLU 10 -5.100 -12.044 -3.525 66 H ARG 11 H ARG 11 -5.718 -13.622 0.910 67 HA ARG 11 HA ARG 11 -7.322 -15.972 1.263 68 1HB ARG 11 2HB ARG 11 -5.127 -14.707 2.914 69 2HB ARG 11 1HB ARG 11 -5.896 -16.226 3.369 70 1HG ARG 11 2HG ARG 11 -5.306 -17.119 1.095 71 2HG ARG 11 1HG ARG 11 -4.391 -15.644 0.802 72 1HD ARG 11 2HD ARG 11 -3.837 -17.866 2.749 73 2HD ARG 11 1HD ARG 11 -2.737 -17.085 1.613 74 HE ARG 11 HE ARG 11 -3.785 -15.546 3.936 75 1HH1 ARG 11 1HH1 ARG 11 -1.405 -15.770 1.600 76 2HH1 ARG 11 2HH1 ARG 11 -0.073 -15.465 2.665 77 1HH2 ARG 11 1HH2 ARG 11 -1.992 -15.649 5.547 78 2HH2 ARG 11 2HH2 ARG 11 -0.406 -15.398 4.899 79 H GLU 12 H GLU 12 -7.095 -12.919 3.027 80 HA GLU 12 HA GLU 12 -8.844 -13.653 5.178 81 1HB GLU 12 2HB GLU 12 -7.849 -11.068 4.025 82 2HB GLU 12 1HB GLU 12 -9.176 -11.034 5.184 83 1HG GLU 12 2HG GLU 12 -7.714 -12.495 6.689 84 2HG GLU 12 1HG GLU 12 -6.385 -12.127 5.589 85 H ARG 13 H ARG 13 -9.390 -12.113 2.029 86 HA ARG 13 HA ARG 13 -12.199 -11.655 2.423 87 1HB ARG 13 2HB ARG 13 -10.545 -11.990 -0.095 88 2HB ARG 13 1HB ARG 13 -12.249 -11.535 -0.102 89 1HG ARG 13 2HG ARG 13 -11.812 -9.493 1.046 90 2HG ARG 13 1HG ARG 13 -10.185 -10.005 1.493 91 1HD ARG 13 2HD ARG 13 -9.320 -9.335 -0.490 92 2HD ARG 13 1HD ARG 13 -10.644 -10.059 -1.403 93 HE ARG 13 HE ARG 13 -11.583 -7.698 -0.077 94 1HH1 ARG 13 1HH1 ARG 13 -11.228 -8.901 -3.081 95 2HH1 ARG 13 2HH1 ARG 13 -10.706 -7.440 -3.850 96 1HH2 ARG 13 1HH2 ARG 13 -10.185 -5.745 -0.870 97 2HH2 ARG 13 2HH2 ARG 13 -10.115 -5.653 -2.599 98 H ILE 14 H ILE 14 -10.347 -14.349 1.056 99 HA ILE 14 HA ILE 14 -12.674 -15.878 0.281 100 HB ILE 14 HB ILE 14 -9.889 -16.883 0.940 101 1HG1 ILE 14 2HG1 ILE 14 -10.870 -16.293 -1.834 102 2HG1 ILE 14 1HG1 ILE 14 -10.251 -14.973 -0.844 103 1HG2 ILE 14 1HG2 ILE 14 -12.355 -18.068 -0.188 104 2HG2 ILE 14 3HG2 ILE 14 -10.876 -18.432 -1.077 105 3HG2 ILE 14 2HG2 ILE 14 -11.003 -18.850 0.632 106 1HD1 ILE 14 1HD1 ILE 14 -8.454 -17.168 -0.563 107 2HD1 ILE 14 3HD1 ILE 14 -8.768 -16.958 -2.286 108 3HD1 ILE 14 2HD1 ILE 14 -8.148 -15.611 -1.331 109 H PHE 15 H PHE 15 -10.498 -15.970 3.116 110 HA PHE 15 HA PHE 15 -11.916 -18.081 4.447 111 1HB PHE 15 2HB PHE 15 -9.612 -17.408 5.067 112 2HB PHE 15 1HB PHE 15 -10.230 -15.862 5.654 113 HD1 PHE 15 HD1 PHE 15 -11.655 -15.764 7.673 114 HD2 PHE 15 HD2 PHE 15 -10.015 -19.478 6.271 115 HE1 PHE 15 HE1 PHE 15 -12.216 -16.832 9.841 116 HE2 PHE 15 HE2 PHE 15 -10.576 -20.545 8.437 117 HZ PHE 15 HZ PHE 15 -11.680 -19.226 10.223 118 H LYS 16 H LYS 16 -12.275 -14.570 4.407 119 HA LYS 16 HA LYS 16 -14.154 -14.415 6.575 120 1HB LYS 16 2HB LYS 16 -13.448 -12.632 4.258 121 2HB LYS 16 1HB LYS 16 -14.846 -12.252 5.264 122 1HG LYS 16 2HG LYS 16 -13.324 -12.442 7.279 123 2HG LYS 16 1HG LYS 16 -11.967 -12.551 6.158 124 1HD LYS 16 2HD LYS 16 -12.727 -10.369 5.150 125 2HD LYS 16 1HD LYS 16 -13.917 -10.248 6.446 126 1HE LYS 16 2HE LYS 16 -11.437 -10.863 7.677 127 2HE LYS 16 1HE LYS 16 -11.116 -9.580 6.510 128 1HZ LYS 16 3HZ LYS 16 -13.257 -9.534 8.569 129 2HZ LYS 16 2HZ LYS 16 -11.780 -8.699 8.667 130 3HZ LYS 16 1HZ LYS 16 -12.910 -8.294 7.465 131 H ARG 17 H ARG 17 -14.482 -15.104 3.139 132 HA ARG 17 HA ARG 17 -17.361 -14.872 3.069 133 1HB ARG 17 2HB ARG 17 -15.349 -16.270 1.296 134 2HB ARG 17 1HB ARG 17 -17.082 -16.328 0.978 135 1HG ARG 17 2HG ARG 17 -17.031 -13.765 1.124 136 2HG ARG 17 1HG ARG 17 -15.277 -13.905 1.030 137 1HD ARG 17 2HD ARG 17 -15.846 -15.463 -1.041 138 2HD ARG 17 1HD ARG 17 -17.344 -14.531 -1.045 139 HE ARG 17 HE ARG 17 -15.167 -12.707 -0.860 140 1HH1 ARG 17 1HH1 ARG 17 -17.341 -12.438 -2.871 141 2HH1 ARG 17 2HH1 ARG 17 -16.512 -12.736 -4.362 142 1HH2 ARG 17 1HH2 ARG 17 -13.757 -14.197 -2.846 143 2HH2 ARG 17 2HH2 ARG 17 -14.483 -13.732 -4.348 144 H PHE 18 H PHE 18 -15.096 -17.485 3.776 145 HA PHE 18 HA PHE 18 -17.064 -19.587 3.830 146 1HB PHE 18 2HB PHE 18 -14.304 -19.279 5.005 147 2HB PHE 18 1HB PHE 18 -15.281 -20.711 5.329 148 HD1 PHE 18 HD1 PHE 18 -16.387 -21.821 3.190 149 HD2 PHE 18 HD2 PHE 18 -12.941 -19.258 3.112 150 HE1 PHE 18 HE1 PHE 18 -15.737 -22.763 0.990 151 HE2 PHE 18 HE2 PHE 18 -12.290 -20.200 0.912 152 HZ PHE 18 HZ PHE 18 -13.688 -21.952 -0.149 153 H ASP 19 H ASP 19 -15.582 -17.628 6.417 154 HA ASP 19 HA ASP 19 -17.050 -18.751 8.573 155 1HB ASP 19 2HB ASP 19 -15.093 -16.997 8.563 156 2HB ASP 19 1HB ASP 19 -16.400 -15.812 8.501 157 H ALA 20 H ALA 20 -19.254 -19.013 8.305 158 HA ALA 20 HA ALA 20 -20.933 -17.183 6.885 159 1HB ALA 20 2HB ALA 20 -21.333 -19.670 7.502 160 2HB ALA 20 1HB ALA 20 -21.937 -19.037 9.033 161 3HB ALA 20 3HB ALA 20 -22.716 -18.576 7.520 162 H ASN 21 H ASN 21 -20.595 -17.704 10.439 163 HA ASN 21 HA ASN 21 -22.223 -15.285 10.871 164 1HB ASN 21 2HB ASN 21 -22.112 -15.833 13.235 165 2HB ASN 21 1HB ASN 21 -22.512 -17.287 12.328 166 1HD2 ASN 21 1HD2 ASN 21 -21.242 -17.133 14.976 167 2HD2 ASN 21 2HD2 ASN 21 -19.738 -17.900 14.836 168 H GLY 22 H GLY 22 -18.872 -16.228 10.876 169 1HA GLY 22 1HA GLY 22 -18.138 -13.387 11.175 170 2HA GLY 22 2HA GLY 22 -17.050 -14.687 10.698 171 H ASP 23 H ASP 23 -17.614 -16.455 12.887 172 HA ASP 23 HA ASP 23 -16.900 -14.858 15.283 173 1HB ASP 23 2HB ASP 23 -17.204 -16.950 16.547 174 2HB ASP 23 1HB ASP 23 -18.624 -16.595 15.568 175 H GLY 24 H GLY 24 -15.243 -15.983 12.755 176 1HA GLY 24 1HA GLY 24 -12.776 -16.267 14.365 177 2HA GLY 24 2HA GLY 24 -12.843 -15.957 12.633 178 H LYS 25 H LYS 25 -15.008 -18.428 13.457 179 HA LYS 25 HA LYS 25 -12.993 -20.455 12.600 180 1HB LYS 25 2HB LYS 25 -13.920 -22.061 14.158 181 2HB LYS 25 1HB LYS 25 -13.523 -20.597 15.058 182 1HG LYS 25 2HG LYS 25 -15.816 -19.900 15.092 183 2HG LYS 25 1HG LYS 25 -16.277 -21.146 13.931 184 1HD LYS 25 2HD LYS 25 -15.445 -22.848 15.660 185 2HD LYS 25 1HD LYS 25 -15.414 -21.507 16.807 186 1HE LYS 25 2HE LYS 25 -17.570 -22.911 16.728 187 2HE LYS 25 1HE LYS 25 -17.758 -21.160 16.631 188 1HZ LYS 25 1HZ LYS 25 -17.497 -22.801 14.192 189 2HZ LYS 25 3HZ LYS 25 -19.002 -22.598 14.948 190 3HZ LYS 25 2HZ LYS 25 -18.157 -21.245 14.363 191 H ILE 26 H ILE 26 -13.721 -21.969 11.138 192 HA ILE 26 HA ILE 26 -16.501 -21.570 10.111 193 HB ILE 26 HB ILE 26 -14.281 -22.860 8.543 194 1HG1 ILE 26 2HG1 ILE 26 -14.846 -19.891 8.802 195 2HG1 ILE 26 1HG1 ILE 26 -13.375 -20.718 9.316 196 1HG2 ILE 26 2HG2 ILE 26 -16.749 -22.854 7.853 197 2HG2 ILE 26 1HG2 ILE 26 -16.574 -21.113 7.628 198 3HG2 ILE 26 3HG2 ILE 26 -15.608 -22.229 6.663 199 1HD1 ILE 26 2HD1 ILE 26 -14.029 -21.348 6.555 200 2HD1 ILE 26 1HD1 ILE 26 -13.866 -19.608 6.790 201 3HD1 ILE 26 3HD1 ILE 26 -12.537 -20.684 7.221 202 H SER 27 H SER 27 -17.842 -23.313 10.112 203 HA SER 27 HA SER 27 -16.710 -25.908 11.049 204 1HB SER 27 2HB SER 27 -18.786 -26.369 12.043 205 2HB SER 27 1HB SER 27 -18.637 -24.628 12.283 206 HG SER 27 HG SER 27 -20.198 -24.290 10.914 207 H ALA 28 H ALA 28 -17.876 -27.868 10.077 208 HA ALA 28 HA ALA 28 -17.584 -27.959 7.296 209 1HB ALA 28 1HB ALA 28 -19.687 -29.581 8.738 210 2HB ALA 28 2HB ALA 28 -17.966 -29.910 8.937 211 3HB ALA 28 3HB ALA 28 -18.714 -30.053 7.346 212 H ALA 29 H ALA 29 -20.544 -27.321 9.162 213 HA ALA 29 HA ALA 29 -22.316 -27.044 6.979 214 1HB ALA 29 3HB ALA 29 -22.715 -26.948 9.591 215 2HB ALA 29 2HB ALA 29 -22.551 -25.211 9.339 216 3HB ALA 29 1HB ALA 29 -23.813 -26.108 8.495 217 H GLU 30 H GLU 30 -20.126 -24.673 8.464 218 HA GLU 30 HA GLU 30 -21.017 -22.516 6.741 219 1HB GLU 30 2HB GLU 30 -18.524 -22.831 8.437 220 2HB GLU 30 1HB GLU 30 -18.978 -21.343 7.606 221 1HG GLU 30 2HG GLU 30 -21.124 -21.326 8.861 222 2HG GLU 30 1HG GLU 30 -20.615 -22.777 9.723 223 H LEU 31 H LEU 31 -18.012 -24.462 6.831 224 HA LEU 31 HA LEU 31 -16.977 -23.432 4.377 225 1HB LEU 31 2HB LEU 31 -15.555 -24.680 5.927 226 2HB LEU 31 1HB LEU 31 -16.539 -26.126 5.706 227 HG LEU 31 HG LEU 31 -15.948 -26.142 3.297 228 1HD1 LEU 31 2HD1 LEU 31 -14.881 -23.517 4.033 229 2HD1 LEU 31 1HD1 LEU 31 -13.717 -24.495 3.139 230 3HD1 LEU 31 3HD1 LEU 31 -15.300 -24.149 2.441 231 1HD2 LEU 31 3HD2 LEU 31 -13.733 -26.129 5.350 232 2HD2 LEU 31 2HD2 LEU 31 -14.550 -27.517 4.631 233 3HD2 LEU 31 1HD2 LEU 31 -13.429 -26.557 3.666 234 H GLY 32 H GLY 32 -19.004 -26.263 5.084 235 1HA GLY 32 1HA GLY 32 -20.329 -27.574 3.661 236 2HA GLY 32 2HA GLY 32 -19.127 -27.257 2.412 237 H GLU 33 H GLU 33 -21.209 -24.968 4.176 238 HA GLU 33 HA GLU 33 -23.132 -24.570 2.142 239 1HB GLU 33 2HB GLU 33 -22.148 -22.998 4.472 240 2HB GLU 33 1HB GLU 33 -23.079 -22.128 3.255 241 1HG GLU 33 2HG GLU 33 -24.864 -23.872 3.443 242 2HG GLU 33 1HG GLU 33 -23.949 -24.617 4.754 243 H ALA 34 H ALA 34 -20.017 -22.925 2.676 244 HA ALA 34 HA ALA 34 -20.351 -21.175 0.391 245 1HB ALA 34 1HB ALA 34 -18.709 -20.242 1.675 246 2HB ALA 34 3HB ALA 34 -18.230 -21.797 2.356 247 3HB ALA 34 2HB ALA 34 -17.643 -21.313 0.765 248 H LEU 35 H LEU 35 -18.780 -24.284 0.979 249 HA LEU 35 HA LEU 35 -17.510 -24.582 -1.539 250 1HB LEU 35 2HB LEU 35 -18.419 -26.411 0.622 251 2HB LEU 35 1HB LEU 35 -18.131 -27.141 -0.957 252 HG LEU 35 HG LEU 35 -16.086 -25.234 0.106 253 1HD1 LEU 35 3HD1 LEU 35 -16.849 -27.017 1.889 254 2HD1 LEU 35 2HD1 LEU 35 -15.941 -28.135 0.870 255 3HD1 LEU 35 1HD1 LEU 35 -15.130 -26.750 1.600 256 1HD2 LEU 35 1HD2 LEU 35 -16.245 -27.585 -1.745 257 2HD2 LEU 35 3HD2 LEU 35 -15.482 -26.015 -1.996 258 3HD2 LEU 35 2HD2 LEU 35 -14.701 -27.221 -0.973 259 H LYS 36 H LYS 36 -20.873 -25.113 -0.562 260 HA LYS 36 HA LYS 36 -21.875 -26.643 -2.640 261 1HB LYS 36 2HB LYS 36 -22.934 -24.488 -0.938 262 2HB LYS 36 1HB LYS 36 -23.774 -24.654 -2.479 263 1HG LYS 36 2HG LYS 36 -24.064 -27.080 -2.039 264 2HG LYS 36 1HG LYS 36 -23.272 -26.877 -0.476 265 1HD LYS 36 2HD LYS 36 -25.142 -24.949 -0.259 266 2HD LYS 36 1HD LYS 36 -25.996 -26.045 -1.345 267 1HE LYS 36 2HE LYS 36 -25.541 -27.914 0.246 268 2HE LYS 36 1HE LYS 36 -24.795 -26.757 1.349 269 1HZ LYS 36 1HZ LYS 36 -27.343 -25.847 0.493 270 2HZ LYS 36 3HZ LYS 36 -27.469 -27.395 1.175 271 3HZ LYS 36 2HZ LYS 36 -26.777 -26.127 2.070 272 H THR 37 H THR 37 -20.574 -23.407 -2.824 273 HA THR 37 HA THR 37 -21.676 -22.462 -5.221 274 HB THR 37 HB THR 37 -19.998 -21.289 -3.695 275 HG1 THR 37 HG1 THR 37 -20.621 -20.828 -6.052 276 1HG2 THR 37 3HG2 THR 37 -18.110 -23.002 -5.330 277 2HG2 THR 37 2HG2 THR 37 -17.602 -21.595 -4.397 278 3HG2 THR 37 1HG2 THR 37 -18.290 -22.995 -3.575 279 H LEU 38 H LEU 38 -19.434 -25.070 -4.691 280 HA LEU 38 HA LEU 38 -18.355 -25.256 -7.338 281 1HB LEU 38 2HB LEU 38 -18.824 -27.369 -5.217 282 2HB LEU 38 1HB LEU 38 -17.940 -27.665 -6.713 283 HG LEU 38 HG LEU 38 -17.010 -25.251 -5.366 284 1HD1 LEU 38 3HD1 LEU 38 -17.589 -27.558 -3.713 285 2HD1 LEU 38 2HD1 LEU 38 -15.853 -27.254 -3.758 286 3HD1 LEU 38 1HD1 LEU 38 -16.957 -25.982 -3.235 287 1HD2 LEU 38 1HD2 LEU 38 -15.875 -27.792 -6.500 288 2HD2 LEU 38 3HD2 LEU 38 -15.583 -26.125 -6.996 289 3HD2 LEU 38 2HD2 LEU 38 -14.851 -26.747 -5.517 290 H GLY 39 H GLY 39 -21.361 -26.379 -5.897 291 1HA GLY 39 1HA GLY 39 -22.619 -26.645 -8.478 292 2HA GLY 39 2HA GLY 39 -23.326 -27.136 -6.939 293 H SER 40 H SER 40 -20.458 -28.655 -6.891 294 HA SER 40 HA SER 40 -21.660 -31.187 -7.792 295 1HB SER 40 2HB SER 40 -19.780 -29.698 -9.419 296 2HB SER 40 1HB SER 40 -19.100 -31.258 -8.955 297 HG SER 40 HG SER 40 -20.910 -32.267 -9.789 298 H ILE 41 H ILE 41 -21.110 -30.608 -5.209 299 HA ILE 41 HA ILE 41 -18.729 -32.316 -4.685 300 HB ILE 41 HB ILE 41 -18.301 -29.771 -4.366 301 1HG1 ILE 41 2HG1 ILE 41 -17.827 -31.501 -1.934 302 2HG1 ILE 41 1HG1 ILE 41 -16.965 -31.760 -3.451 303 1HG2 ILE 41 1HG2 ILE 41 -20.590 -29.707 -3.027 304 2HG2 ILE 41 3HG2 ILE 41 -19.560 -30.191 -1.679 305 3HG2 ILE 41 2HG2 ILE 41 -19.239 -28.683 -2.539 306 1HD1 ILE 41 3HD1 ILE 41 -16.605 -29.099 -3.194 307 2HD1 ILE 41 2HD1 ILE 41 -16.730 -29.534 -1.490 308 3HD1 ILE 41 1HD1 ILE 41 -15.491 -30.278 -2.501 309 H THR 42 H THR 42 -18.785 -33.061 -2.310 310 HA THR 42 HA THR 42 -21.628 -33.455 -1.463 311 HB THR 42 HB THR 42 -21.335 -35.705 -1.363 312 HG1 THR 42 HG1 THR 42 -18.662 -35.627 -0.579 313 1HG2 THR 42 1HG2 THR 42 -20.217 -35.150 -3.540 314 2HG2 THR 42 3HG2 THR 42 -18.668 -35.174 -2.697 315 3HG2 THR 42 2HG2 THR 42 -19.633 -36.647 -2.813 316 HA PRO 43 HA PRO 43 -20.442 -32.002 2.544 317 1HB PRO 43 2HB PRO 43 -21.694 -33.721 4.220 318 2HB PRO 43 1HB PRO 43 -22.557 -32.483 3.301 319 1HG PRO 43 2HG PRO 43 -22.224 -35.402 2.703 320 2HG PRO 43 1HG PRO 43 -23.678 -34.404 2.587 321 1HD PRO 43 1HD PRO 43 -22.216 -35.035 0.410 322 2HD PRO 43 2HD PRO 43 -23.037 -33.480 0.558 323 H ASP 44 H ASP 44 -20.093 -35.465 1.943 324 HA ASP 44 HA ASP 44 -18.315 -36.030 4.106 325 1HB ASP 44 2HB ASP 44 -18.668 -37.357 1.405 326 2HB ASP 44 1HB ASP 44 -17.656 -38.011 2.693 327 H GLU 45 H GLU 45 -17.793 -34.492 0.993 328 HA GLU 45 HA GLU 45 -14.886 -34.868 1.124 329 1HB GLU 45 2HB GLU 45 -16.685 -33.228 -0.683 330 2HB GLU 45 1HB GLU 45 -14.928 -33.255 -0.832 331 1HG GLU 45 2HG GLU 45 -15.047 -35.750 -1.069 332 2HG GLU 45 1HG GLU 45 -16.806 -35.624 -1.081 333 H VAL 46 H VAL 46 -17.284 -32.377 1.796 334 HA VAL 46 HA VAL 46 -15.387 -30.285 2.379 335 HB VAL 46 HB VAL 46 -18.265 -30.701 3.231 336 1HG1 VAL 46 2HG1 VAL 46 -16.251 -28.728 4.065 337 2HG1 VAL 46 1HG1 VAL 46 -17.724 -28.000 3.423 338 3HG1 VAL 46 3HG1 VAL 46 -17.813 -29.113 4.789 339 1HG2 VAL 46 1HG2 VAL 46 -16.927 -29.720 0.849 340 2HG2 VAL 46 3HG2 VAL 46 -18.641 -30.045 1.107 341 3HG2 VAL 46 2HG2 VAL 46 -17.966 -28.477 1.547 342 H LYS 47 H LYS 47 -16.943 -32.809 4.288 343 HA LYS 47 HA LYS 47 -15.993 -31.883 6.849 344 1HB LYS 47 2HB LYS 47 -17.822 -33.465 6.790 345 2HB LYS 47 1HB LYS 47 -16.853 -34.623 5.879 346 1HG LYS 47 2HG LYS 47 -15.310 -34.849 7.782 347 2HG LYS 47 1HG LYS 47 -16.244 -33.662 8.692 348 1HD LYS 47 2HD LYS 47 -17.049 -35.751 9.467 349 2HD LYS 47 1HD LYS 47 -18.260 -35.230 8.296 350 1HE LYS 47 2HE LYS 47 -17.529 -36.752 6.671 351 2HE LYS 47 1HE LYS 47 -15.932 -36.913 7.402 352 1HZ LYS 47 2HZ LYS 47 -16.980 -38.030 9.295 353 2HZ LYS 47 1HZ LYS 47 -18.487 -37.939 8.516 354 3HZ LYS 47 3HZ LYS 47 -17.239 -38.869 7.841 355 H HIS 48 H HIS 48 -14.722 -34.102 4.405 356 HA HIS 48 HA HIS 48 -12.449 -34.986 5.917 357 1HB HIS 48 2HB HIS 48 -13.226 -36.145 3.877 358 2HB HIS 48 1HB HIS 48 -12.780 -34.739 2.910 359 HD1 HIS 48 HD1 HIS 48 -10.782 -35.591 1.628 360 HD2 HIS 48 HD2 HIS 48 -10.496 -36.412 5.705 361 HE1 HIS 48 HE1 HIS 48 -8.459 -36.525 2.010 362 H MET 49 H MET 49 -12.966 -32.244 3.705 363 HA MET 49 HA MET 49 -10.279 -31.342 3.577 364 1HB MET 49 2HB MET 49 -12.957 -29.990 3.350 365 2HB MET 49 1HB MET 49 -11.480 -29.032 3.338 366 1HG MET 49 2HG MET 49 -10.670 -30.725 1.531 367 2HG MET 49 1HG MET 49 -12.379 -31.132 1.375 368 1HE MET 49 3HE MET 49 -12.097 -30.655 -0.978 369 2HE MET 49 2HE MET 49 -13.678 -29.977 -0.599 370 3HE MET 49 1HE MET 49 -12.581 -29.095 -1.659 371 H MET 50 H MET 50 -12.864 -30.633 5.899 372 HA MET 50 HA MET 50 -11.402 -28.785 7.500 373 1HB MET 50 2HB MET 50 -13.718 -30.638 8.040 374 2HB MET 50 1HB MET 50 -13.027 -29.651 9.325 375 1HG MET 50 2HG MET 50 -13.314 -27.658 7.734 376 2HG MET 50 1HG MET 50 -14.326 -28.724 6.759 377 1HE MET 50 2HE MET 50 -13.516 -27.056 9.874 378 2HE MET 50 1HE MET 50 -15.005 -26.828 10.787 379 3HE MET 50 3HE MET 50 -14.115 -28.352 10.906 380 H ALA 51 H ALA 51 -11.832 -32.302 7.812 381 HA ALA 51 HA ALA 51 -10.238 -32.668 10.130 382 1HB ALA 51 3HB ALA 51 -11.314 -34.634 9.602 383 2HB ALA 51 1HB ALA 51 -9.766 -34.976 8.829 384 3HB ALA 51 2HB ALA 51 -11.123 -34.392 7.865 385 H GLU 52 H GLU 52 -9.362 -31.880 6.884 386 HA GLU 52 HA GLU 52 -6.523 -32.623 7.361 387 1HB GLU 52 2HB GLU 52 -8.121 -31.841 4.936 388 2HB GLU 52 1HB GLU 52 -6.365 -31.681 4.918 389 1HG GLU 52 2HG GLU 52 -6.261 -34.101 5.709 390 2HG GLU 52 1HG GLU 52 -7.989 -34.196 5.367 391 H ILE 53 H ILE 53 -8.611 -29.829 6.831 392 HA ILE 53 HA ILE 53 -6.380 -27.938 6.909 393 HB ILE 53 HB ILE 53 -9.375 -27.509 7.063 394 1HG1 ILE 53 2HG1 ILE 53 -7.459 -27.223 4.735 395 2HG1 ILE 53 1HG1 ILE 53 -8.539 -28.594 4.972 396 1HG2 ILE 53 3HG2 ILE 53 -7.979 -25.660 7.995 397 2HG2 ILE 53 2HG2 ILE 53 -7.143 -25.554 6.445 398 3HG2 ILE 53 1HG2 ILE 53 -8.865 -25.187 6.546 399 1HD1 ILE 53 2HD1 ILE 53 -10.214 -26.401 5.265 400 2HD1 ILE 53 1HD1 ILE 53 -9.136 -25.919 3.954 401 3HD1 ILE 53 3HD1 ILE 53 -10.076 -27.406 3.823 402 H ASP 54 H ASP 54 -8.779 -29.227 9.140 403 HA ASP 54 HA ASP 54 -8.484 -27.358 11.257 404 1HB ASP 54 2HB ASP 54 -10.129 -29.379 10.894 405 2HB ASP 54 1HB ASP 54 -8.890 -30.296 11.740 406 H THR 55 H THR 55 -6.376 -26.816 11.791 407 HA THR 55 HA THR 55 -4.212 -28.713 11.882 408 HB THR 55 HB THR 55 -2.969 -26.866 12.998 409 HG1 THR 55 HG1 THR 55 -4.010 -25.156 13.722 410 1HG2 THR 55 2HG2 THR 55 -4.438 -26.657 10.450 411 2HG2 THR 55 1HG2 THR 55 -3.839 -25.121 11.077 412 3HG2 THR 55 3HG2 THR 55 -2.718 -26.449 10.779 413 H ASP 56 H ASP 56 -6.144 -27.182 14.461 414 HA ASP 56 HA ASP 56 -4.805 -28.866 16.472 415 1HB ASP 56 2HB ASP 56 -5.906 -27.567 18.103 416 2HB ASP 56 1HB ASP 56 -5.591 -26.419 16.803 417 H GLY 57 H GLY 57 -7.963 -28.612 14.912 418 1HA GLY 57 1HA GLY 57 -8.522 -31.383 15.841 419 2HA GLY 57 2HA GLY 57 -9.285 -30.606 14.458 420 H ASP 58 H ASP 58 -9.796 -28.096 16.054 421 HA ASP 58 HA ASP 58 -11.570 -28.974 18.218 422 1HB ASP 58 2HB ASP 58 -12.055 -26.643 18.556 423 2HB ASP 58 1HB ASP 58 -10.330 -26.760 18.222 424 H GLY 59 H GLY 59 -11.816 -29.009 14.906 425 1HA GLY 59 1HA GLY 59 -14.781 -29.065 15.091 426 2HA GLY 59 2HA GLY 59 -13.825 -29.829 13.823 427 H PHE 60 H PHE 60 -12.558 -26.783 14.419 428 HA PHE 60 HA PHE 60 -14.069 -25.695 12.091 429 1HB PHE 60 2HB PHE 60 -13.263 -24.035 14.486 430 2HB PHE 60 1HB PHE 60 -14.270 -23.543 13.125 431 HD1 PHE 60 HD1 PHE 60 -16.535 -24.531 12.819 432 HD2 PHE 60 HD2 PHE 60 -14.167 -25.295 16.316 433 HE1 PHE 60 HE1 PHE 60 -18.552 -25.335 14.009 434 HE2 PHE 60 HE2 PHE 60 -16.183 -26.098 17.509 435 HZ PHE 60 HZ PHE 60 -18.380 -26.120 16.357 436 H ILE 61 H ILE 61 -12.951 -24.051 10.887 437 HA ILE 61 HA ILE 61 -9.993 -24.237 11.137 438 HB ILE 61 HB ILE 61 -11.619 -23.378 8.730 439 1HG1 ILE 61 2HG1 ILE 61 -12.165 -25.700 9.249 440 2HG1 ILE 61 1HG1 ILE 61 -11.101 -25.655 7.844 441 1HG2 ILE 61 3HG2 ILE 61 -9.251 -22.615 8.855 442 2HG2 ILE 61 2HG2 ILE 61 -8.742 -24.296 9.010 443 3HG2 ILE 61 1HG2 ILE 61 -9.522 -23.744 7.528 444 1HD1 ILE 61 2HD1 ILE 61 -9.157 -26.014 9.422 445 2HD1 ILE 61 1HD1 ILE 61 -10.335 -26.292 10.705 446 3HD1 ILE 61 3HD1 ILE 61 -10.273 -27.379 9.315 447 H SER 62 H SER 62 -8.935 -22.341 11.649 448 HA SER 62 HA SER 62 -10.577 -19.871 11.802 449 1HB SER 62 2HB SER 62 -7.814 -20.388 12.944 450 2HB SER 62 1HB SER 62 -8.877 -19.030 13.315 451 HG SER 62 HG SER 62 -8.773 -21.146 14.678 452 H PHE 63 H PHE 63 -9.321 -17.820 11.189 453 HA PHE 63 HA PHE 63 -8.535 -17.937 8.478 454 1HB PHE 63 2HB PHE 63 -9.162 -15.827 9.641 455 2HB PHE 63 1HB PHE 63 -7.640 -15.892 10.533 456 HD1 PHE 63 HD1 PHE 63 -8.705 -16.428 6.977 457 HD2 PHE 63 HD2 PHE 63 -5.997 -14.479 9.679 458 HE1 PHE 63 HE1 PHE 63 -7.537 -15.388 5.054 459 HE2 PHE 63 HE2 PHE 63 -4.825 -13.442 7.757 460 HZ PHE 63 HZ PHE 63 -5.600 -13.894 5.442 461 H GLN 64 H GLN 64 -6.564 -17.937 11.428 462 HA GLN 64 HA GLN 64 -4.012 -17.981 10.196 463 1HB GLN 64 2HB GLN 64 -4.513 -17.702 12.661 464 2HB GLN 64 1HB GLN 64 -4.800 -19.440 12.733 465 1HG GLN 64 2HG GLN 64 -2.229 -18.259 11.657 466 2HG GLN 64 1HG GLN 64 -2.441 -18.675 13.357 467 1HE2 GLN 64 1HE2 GLN 64 -0.883 -19.927 10.884 468 2HE2 GLN 64 2HE2 GLN 64 -1.227 -21.582 11.045 469 H GLU 65 H GLU 65 -6.141 -20.689 11.170 470 HA GLU 65 HA GLU 65 -4.421 -22.778 10.270 471 1HB GLU 65 2HB GLU 65 -7.410 -22.584 10.647 472 2HB GLU 65 1HB GLU 65 -6.637 -24.065 10.096 473 1HG GLU 65 2HG GLU 65 -5.207 -24.061 12.120 474 2HG GLU 65 1HG GLU 65 -6.020 -22.599 12.677 475 H PHE 66 H PHE 66 -7.099 -21.076 8.660 476 HA PHE 66 HA PHE 66 -6.973 -22.487 6.192 477 1HB PHE 66 2HB PHE 66 -8.821 -20.947 6.843 478 2HB PHE 66 1HB PHE 66 -7.724 -19.582 6.634 479 HD1 PHE 66 HD1 PHE 66 -6.951 -18.907 4.415 480 HD2 PHE 66 HD2 PHE 66 -9.629 -22.227 4.923 481 HE1 PHE 66 HE1 PHE 66 -7.446 -18.880 1.985 482 HE2 PHE 66 HE2 PHE 66 -10.124 -22.200 2.493 483 HZ PHE 66 HZ PHE 66 -9.033 -20.526 1.024 484 H THR 67 H THR 67 -5.192 -19.675 7.384 485 HA THR 67 HA THR 67 -3.870 -19.058 4.910 486 HB THR 67 HB THR 67 -3.161 -18.524 7.805 487 HG1 THR 67 HG1 THR 67 -3.572 -16.332 6.847 488 1HG2 THR 67 2HG2 THR 67 -1.716 -17.700 5.275 489 2HG2 THR 67 1HG2 THR 67 -1.474 -16.913 6.835 490 3HG2 THR 67 3HG2 THR 67 -1.058 -18.615 6.632 491 H ASP 68 H ASP 68 -2.872 -21.013 7.731 492 HA ASP 68 HA ASP 68 -0.337 -21.800 6.718 493 1HB ASP 68 2HB ASP 68 -1.230 -22.168 9.070 494 2HB ASP 68 1HB ASP 68 -2.149 -23.527 8.421 495 H PHE 69 H PHE 69 -3.560 -23.222 6.281 496 HA PHE 69 HA PHE 69 -2.560 -25.440 4.689 497 1HB PHE 69 2HB PHE 69 -4.577 -26.076 5.574 498 2HB PHE 69 1HB PHE 69 -5.187 -24.425 5.627 499 HD1 PHE 69 HD1 PHE 69 -5.857 -23.320 3.429 500 HD2 PHE 69 HD2 PHE 69 -5.226 -27.542 3.843 501 HE1 PHE 69 HE1 PHE 69 -7.153 -23.716 1.349 502 HE2 PHE 69 HE2 PHE 69 -6.517 -27.944 1.768 503 HZ PHE 69 HZ PHE 69 -7.485 -26.031 0.517 504 H GLY 70 H GLY 70 -3.933 -22.247 4.050 505 1HA GLY 70 1HA GLY 70 -3.973 -20.978 2.075 506 2HA GLY 70 2HA GLY 70 -4.283 -22.500 1.240 507 H ARG 71 H ARG 71 -1.409 -21.914 3.187 508 HA ARG 71 HA ARG 71 0.296 -21.161 0.975 509 1HB ARG 71 2HB ARG 71 0.957 -22.298 3.708 510 2HB ARG 71 1HB ARG 71 2.149 -21.657 2.577 511 1HG ARG 71 2HG ARG 71 0.961 -19.474 2.601 512 2HG ARG 71 1HG ARG 71 -0.171 -20.121 3.787 513 1HD ARG 71 2HD ARG 71 2.831 -19.884 4.163 514 2HD ARG 71 1HD ARG 71 1.620 -18.827 4.891 515 HE ARG 71 HE ARG 71 1.238 -21.668 5.494 516 1HH1 ARG 71 1HH1 ARG 71 0.736 -18.982 7.069 517 2HH1 ARG 71 2HH1 ARG 71 1.787 -19.250 8.419 518 1HH2 ARG 71 1HH2 ARG 71 3.459 -21.898 6.931 519 2HH2 ARG 71 2HH2 ARG 71 3.329 -20.901 8.341 520 H ALA 72 H ALA 72 -0.679 -24.207 2.424 521 HA ALA 72 HA ALA 72 1.335 -25.820 1.113 522 1HB ALA 72 3HB ALA 72 0.484 -27.294 2.587 523 2HB ALA 72 1HB ALA 72 -0.960 -27.407 1.580 524 3HB ALA 72 2HB ALA 72 -0.894 -26.239 2.899 525 H ASN 73 H ASN 73 -1.637 -24.377 0.088 526 HA ASN 73 HA ASN 73 -1.254 -25.566 -2.591 527 1HB ASN 73 2HB ASN 73 -4.037 -25.609 -1.471 528 2HB ASN 73 1HB ASN 73 -3.336 -26.594 -2.754 529 1HD2 ASN 73 1HD2 ASN 73 -4.185 -26.609 0.545 530 2HD2 ASN 73 2HD2 ASN 73 -3.307 -27.983 1.014 531 H ARG 74 H ARG 74 -0.668 -23.006 -2.111 532 HA ARG 74 HA ARG 74 -2.689 -21.058 -2.080 533 1HB ARG 74 2HB ARG 74 -0.100 -21.044 -3.664 534 2HB ARG 74 1HB ARG 74 -1.099 -19.623 -3.356 535 1HG ARG 74 2HG ARG 74 -0.779 -19.873 -0.949 536 2HG ARG 74 1HG ARG 74 0.120 -21.370 -1.196 537 1HD ARG 74 2HD ARG 74 1.810 -20.091 -2.515 538 2HD ARG 74 1HD ARG 74 0.936 -18.605 -2.142 539 HE ARG 74 HE ARG 74 1.376 -19.430 0.345 540 1HH1 ARG 74 1HH1 ARG 74 3.410 -18.789 -2.297 541 2HH1 ARG 74 2HH1 ARG 74 4.881 -19.143 -1.453 542 1HH2 ARG 74 1HH2 ARG 74 3.279 -20.284 1.402 543 2HH2 ARG 74 2HH2 ARG 74 4.806 -19.989 0.641 544 H GLY 75 H GLY 75 -1.393 -22.897 -4.811 545 1HA GLY 75 1HA GLY 75 -2.315 -23.349 -6.905 546 2HA GLY 75 2HA GLY 75 -2.843 -21.667 -6.898 547 H LEU 76 H LEU 76 -3.938 -23.692 -4.317 548 HA LEU 76 HA LEU 76 -6.394 -24.546 -5.653 549 1HB LEU 76 2HB LEU 76 -5.466 -24.627 -2.773 550 2HB LEU 76 1HB LEU 76 -7.055 -25.199 -3.278 551 HG LEU 76 HG LEU 76 -4.376 -26.224 -4.263 552 1HD1 LEU 76 3HD1 LEU 76 -5.710 -26.858 -1.953 553 2HD1 LEU 76 2HD1 LEU 76 -6.380 -28.041 -3.078 554 3HD1 LEU 76 1HD1 LEU 76 -4.638 -27.963 -2.814 555 1HD2 LEU 76 1HD2 LEU 76 -7.059 -26.326 -5.409 556 2HD2 LEU 76 3HD2 LEU 76 -5.518 -26.798 -6.126 557 3HD2 LEU 76 2HD2 LEU 76 -6.405 -27.937 -5.112 558 H LEU 77 H LEU 77 -5.508 -22.100 -3.240 559 HA LEU 77 HA LEU 77 -8.131 -21.087 -2.796 560 1HB LEU 77 2HB LEU 77 -5.500 -19.584 -2.696 561 2HB LEU 77 1HB LEU 77 -7.012 -19.072 -1.945 562 HG LEU 77 HG LEU 77 -5.315 -21.480 -1.251 563 1HD1 LEU 77 3HD1 LEU 77 -6.079 -18.890 0.033 564 2HD1 LEU 77 2HD1 LEU 77 -5.857 -20.295 1.076 565 3HD1 LEU 77 1HD1 LEU 77 -4.533 -19.737 0.053 566 1HD2 LEU 77 1HD2 LEU 77 -8.199 -20.862 -0.616 567 2HD2 LEU 77 3HD2 LEU 77 -7.500 -22.378 -1.183 568 3HD2 LEU 77 2HD2 LEU 77 -7.218 -21.842 0.474 569 H LYS 78 H LYS 78 -5.729 -20.350 -5.290 570 HA LYS 78 HA LYS 78 -7.003 -18.051 -6.381 571 1HB LYS 78 2HB LYS 78 -5.397 -20.190 -7.816 572 2HB LYS 78 1HB LYS 78 -5.754 -18.582 -8.444 573 1HG LYS 78 2HG LYS 78 -4.653 -17.701 -6.278 574 2HG LYS 78 1HG LYS 78 -4.011 -19.334 -6.097 575 1HD LYS 78 2HD LYS 78 -3.618 -17.542 -8.514 576 2HD LYS 78 1HD LYS 78 -2.403 -17.882 -7.282 577 1HE LYS 78 2HE LYS 78 -3.596 -20.320 -8.374 578 2HE LYS 78 1HE LYS 78 -2.806 -19.345 -9.613 579 1HZ LYS 78 2HZ LYS 78 -1.426 -19.774 -7.061 580 2HZ LYS 78 1HZ LYS 78 -1.453 -21.042 -8.191 581 3HZ LYS 78 3HZ LYS 78 -0.779 -19.545 -8.615 582 H ASP 79 H ASP 79 -7.744 -21.459 -6.627 583 HA ASP 79 HA ASP 79 -9.502 -21.173 -8.931 584 1HB ASP 79 2HB ASP 79 -8.420 -23.336 -8.326 585 2HB ASP 79 1HB ASP 79 -9.393 -23.382 -6.855 586 H VAL 80 H VAL 80 -9.891 -21.223 -5.417 587 HA VAL 80 HA VAL 80 -12.801 -21.076 -5.558 588 HB VAL 80 HB VAL 80 -11.025 -20.410 -3.197 589 1HG1 VAL 80 2HG1 VAL 80 -13.673 -20.045 -3.422 590 2HG1 VAL 80 1HG1 VAL 80 -13.679 -21.756 -2.995 591 3HG1 VAL 80 3HG1 VAL 80 -12.930 -20.580 -1.915 592 1HG2 VAL 80 3HG2 VAL 80 -11.791 -23.026 -4.439 593 2HG2 VAL 80 2HG2 VAL 80 -10.283 -22.560 -3.652 594 3HG2 VAL 80 1HG2 VAL 80 -11.709 -22.924 -2.680 595 H ALA 81 H ALA 81 -10.132 -18.800 -5.312 596 HA ALA 81 HA ALA 81 -11.636 -16.507 -4.509 597 1HB ALA 81 3HB ALA 81 -9.391 -16.038 -4.384 598 2HB ALA 81 1HB ALA 81 -9.695 -15.380 -5.992 599 3HB ALA 81 2HB ALA 81 -9.005 -16.994 -5.815 600 H LYS 82 H LYS 82 -11.649 -18.286 -7.430 601 HA LYS 82 HA LYS 82 -12.681 -15.980 -8.993 602 1HB LYS 82 2HB LYS 82 -12.064 -18.840 -9.801 603 2HB LYS 82 1HB LYS 82 -12.637 -17.586 -10.901 604 1HG LYS 82 2HG LYS 82 -10.609 -16.210 -10.034 605 2HG LYS 82 1HG LYS 82 -9.998 -17.759 -9.453 606 1HD LYS 82 2HD LYS 82 -10.278 -18.675 -11.770 607 2HD LYS 82 1HD LYS 82 -10.728 -17.058 -12.312 608 1HE LYS 82 2HE LYS 82 -8.538 -16.599 -12.572 609 2HE LYS 82 1HE LYS 82 -8.347 -16.742 -10.824 610 1HZ LYS 82 2HZ LYS 82 -8.370 -19.133 -12.555 611 2HZ LYS 82 1HZ LYS 82 -6.942 -18.244 -12.314 612 3HZ LYS 82 3HZ LYS 82 -7.729 -18.956 -10.991 613 H ILE 83 H ILE 83 -13.680 -19.009 -7.528 614 HA ILE 83 HA ILE 83 -16.231 -19.292 -8.738 615 HB ILE 83 HB ILE 83 -15.409 -19.964 -5.897 616 1HG1 ILE 83 2HG1 ILE 83 -15.305 -21.559 -8.474 617 2HG1 ILE 83 1HG1 ILE 83 -13.927 -21.018 -7.518 618 1HG2 ILE 83 2HG2 ILE 83 -17.809 -20.560 -7.584 619 2HG2 ILE 83 1HG2 ILE 83 -17.238 -21.801 -6.470 620 3HG2 ILE 83 3HG2 ILE 83 -17.713 -20.217 -5.857 621 1HD1 ILE 83 3HD1 ILE 83 -15.406 -22.349 -5.632 622 2HD1 ILE 83 2HD1 ILE 83 -15.741 -23.303 -7.078 623 3HD1 ILE 83 1HD1 ILE 83 -14.077 -23.068 -6.542 624 H PHE 84 H PHE 84 -15.170 -17.362 -5.970 625 HA PHE 84 HA PHE 84 -17.908 -16.345 -5.541 626 1HB PHE 84 2HB PHE 84 -15.269 -15.704 -4.189 627 2HB PHE 84 1HB PHE 84 -16.823 -15.014 -3.718 628 HD1 PHE 84 HD1 PHE 84 -14.859 -18.150 -3.963 629 HD2 PHE 84 HD2 PHE 84 -18.460 -16.306 -2.516 630 HE1 PHE 84 HE1 PHE 84 -15.345 -20.164 -2.599 631 HE2 PHE 84 HE2 PHE 84 -18.944 -18.320 -1.153 632 HZ PHE 84 HZ PHE 84 -17.386 -20.250 -1.194 No H/Q in entry = 632 Start of MODEL 2 1 H1 ALA 1 1H ALA 1 9.163 -13.815 5.446 2 H2 ALA 1 3H ALA 1 8.844 -15.201 6.371 3 H3 ALA 1 2H ALA 1 10.243 -15.127 5.410 4 HA ALA 1 HA ALA 1 8.905 -16.408 4.089 5 1HB ALA 1 2HB ALA 1 6.407 -14.988 4.074 6 2HB ALA 1 1HB ALA 1 6.727 -16.636 4.611 7 3HB ALA 1 3HB ALA 1 6.879 -15.293 5.745 8 H ASP 2 H ASP 2 8.715 -16.052 1.865 9 HA ASP 2 HA ASP 2 9.469 -13.389 0.926 10 1HB ASP 2 2HB ASP 2 8.900 -16.014 -0.464 11 2HB ASP 2 1HB ASP 2 9.259 -14.535 -1.355 12 H ASP 3 H ASP 3 6.528 -15.172 1.333 13 HA ASP 3 HA ASP 3 4.847 -14.094 -0.633 14 1HB ASP 3 2HB ASP 3 3.007 -14.380 1.013 15 2HB ASP 3 1HB ASP 3 4.080 -15.779 0.977 16 H HIS 4 H HIS 4 2.991 -12.419 0.099 17 HA HIS 4 HA HIS 4 4.293 -10.083 1.421 18 1HB HIS 4 2HB HIS 4 2.966 -8.738 -0.420 19 2HB HIS 4 1HB HIS 4 4.550 -9.409 -0.797 20 HD1 HIS 4 HD1 HIS 4 4.124 -9.862 -3.277 21 HD2 HIS 4 HD2 HIS 4 1.300 -11.657 -0.790 22 HE1 HIS 4 HE1 HIS 4 2.765 -11.420 -4.742 23 HA PRO 5 HA PRO 5 0.424 -9.452 3.492 24 1HB PRO 5 2HB PRO 5 0.018 -6.782 3.281 25 2HB PRO 5 1HB PRO 5 1.232 -7.487 4.353 26 1HG PRO 5 2HG PRO 5 1.571 -6.315 1.612 27 2HG PRO 5 1HG PRO 5 2.560 -6.063 3.056 28 1HD PRO 5 1HD PRO 5 3.330 -7.761 1.123 29 2HD PRO 5 2HD PRO 5 3.647 -8.106 2.823 30 H GLN 6 H GLN 6 0.770 -8.352 0.211 31 HA GLN 6 HA GLN 6 -1.904 -7.574 -0.355 32 1HB GLN 6 2HB GLN 6 0.407 -8.602 -1.956 33 2HB GLN 6 1HB GLN 6 -1.182 -8.551 -2.720 34 1HG GLN 6 2HG GLN 6 -1.376 -6.193 -2.384 35 2HG GLN 6 1HG GLN 6 -0.007 -6.169 -1.274 36 1HE2 GLN 6 1HE2 GLN 6 2.101 -7.201 -2.432 37 2HE2 GLN 6 2HE2 GLN 6 2.397 -6.610 -3.995 38 H ASP 7 H ASP 7 -0.308 -10.742 -0.596 39 HA ASP 7 HA ASP 7 -2.506 -12.218 -1.591 40 1HB ASP 7 2HB ASP 7 -0.166 -12.957 0.159 41 2HB ASP 7 1HB ASP 7 -1.393 -14.151 -0.264 42 H LYS 8 H LYS 8 -1.511 -11.797 1.808 43 HA LYS 8 HA LYS 8 -3.517 -13.152 3.127 44 1HB LYS 8 2HB LYS 8 -2.129 -10.561 3.733 45 2HB LYS 8 1HB LYS 8 -3.420 -11.127 4.793 46 1HG LYS 8 2HG LYS 8 -2.197 -13.352 4.895 47 2HG LYS 8 1HG LYS 8 -0.845 -12.554 4.093 48 1HD LYS 8 2HD LYS 8 -0.279 -12.262 6.338 49 2HD LYS 8 1HD LYS 8 -1.148 -10.765 6.002 50 1HE LYS 8 2HE LYS 8 -3.235 -11.830 6.866 51 2HE LYS 8 1HE LYS 8 -2.294 -13.261 7.292 52 1HZ LYS 8 3HZ LYS 8 -1.423 -10.624 8.252 53 2HZ LYS 8 2HZ LYS 8 -2.706 -11.408 9.040 54 3HZ LYS 8 1HZ LYS 8 -1.183 -12.153 8.943 55 H ALA 9 H ALA 9 -3.802 -10.009 1.531 56 HA ALA 9 HA ALA 9 -6.396 -9.328 2.468 57 1HB ALA 9 3HB ALA 9 -4.575 -8.199 0.716 58 2HB ALA 9 1HB ALA 9 -6.198 -7.581 1.030 59 3HB ALA 9 2HB ALA 9 -5.910 -8.645 -0.347 60 H GLU 10 H GLU 10 -5.383 -11.167 -0.398 61 HA GLU 10 HA GLU 10 -8.072 -11.758 -1.257 62 1HB GLU 10 2HB GLU 10 -5.605 -13.425 -1.811 63 2HB GLU 10 1HB GLU 10 -7.065 -13.306 -2.794 64 1HG GLU 10 2HG GLU 10 -6.537 -10.820 -3.037 65 2HG GLU 10 1HG GLU 10 -4.958 -11.182 -2.338 66 H ARG 11 H ARG 11 -5.731 -13.413 0.812 67 HA ARG 11 HA ARG 11 -7.290 -15.807 1.165 68 1HB ARG 11 2HB ARG 11 -5.086 -14.519 2.787 69 2HB ARG 11 1HB ARG 11 -5.824 -16.055 3.240 70 1HG ARG 11 2HG ARG 11 -5.257 -16.902 0.931 71 2HG ARG 11 1HG ARG 11 -4.345 -15.419 0.671 72 1HD ARG 11 2HD ARG 11 -3.797 -17.663 2.605 73 2HD ARG 11 1HD ARG 11 -2.705 -16.923 1.436 74 HE ARG 11 HE ARG 11 -3.676 -15.298 3.728 75 1HH1 ARG 11 1HH1 ARG 11 -1.269 -15.748 1.441 76 2HH1 ARG 11 2HH1 ARG 11 0.057 -15.473 2.521 77 1HH2 ARG 11 1HH2 ARG 11 -1.923 -15.413 5.365 78 2HH2 ARG 11 2HH2 ARG 11 -0.313 -15.283 4.741 79 H GLU 12 H GLU 12 -7.059 -12.758 2.944 80 HA GLU 12 HA GLU 12 -8.793 -13.540 5.101 81 1HB GLU 12 2HB GLU 12 -7.704 -10.971 4.043 82 2HB GLU 12 1HB GLU 12 -9.117 -10.882 5.092 83 1HG GLU 12 2HG GLU 12 -7.753 -12.508 6.628 84 2HG GLU 12 1HG GLU 12 -6.364 -11.924 5.712 85 H ARG 13 H ARG 13 -9.359 -11.901 2.004 86 HA ARG 13 HA ARG 13 -12.158 -11.432 2.444 87 1HB ARG 13 2HB ARG 13 -10.618 -11.768 -0.147 88 2HB ARG 13 1HB ARG 13 -12.263 -11.142 -0.023 89 1HG ARG 13 2HG ARG 13 -11.527 -9.237 1.243 90 2HG ARG 13 1HG ARG 13 -9.913 -9.917 1.442 91 1HD ARG 13 2HD ARG 13 -9.529 -8.466 -0.329 92 2HD ARG 13 1HD ARG 13 -9.958 -9.931 -1.213 93 HE ARG 13 HE ARG 13 -11.660 -7.531 -0.908 94 1HH1 ARG 13 1HH1 ARG 13 -10.817 -9.294 -3.376 95 2HH1 ARG 13 2HH1 ARG 13 -12.363 -9.951 -3.796 96 1HH2 ARG 13 1HH2 ARG 13 -13.862 -9.026 -0.808 97 2HH2 ARG 13 2HH2 ARG 13 -14.088 -9.799 -2.342 98 H ILE 14 H ILE 14 -10.364 -14.103 0.943 99 HA ILE 14 HA ILE 14 -12.734 -15.570 0.175 100 HB ILE 14 HB ILE 14 -9.932 -16.605 0.714 101 1HG1 ILE 14 2HG1 ILE 14 -11.089 -15.944 -1.985 102 2HG1 ILE 14 1HG1 ILE 14 -10.315 -14.691 -1.019 103 1HG2 ILE 14 3HG2 ILE 14 -12.446 -17.790 -0.311 104 2HG2 ILE 14 2HG2 ILE 14 -11.003 -18.151 -1.259 105 3HG2 ILE 14 1HG2 ILE 14 -11.062 -18.574 0.452 106 1HD1 ILE 14 3HD1 ILE 14 -8.682 -17.068 -1.007 107 2HD1 ILE 14 2HD1 ILE 14 -9.052 -16.613 -2.670 108 3HD1 ILE 14 1HD1 ILE 14 -8.275 -15.455 -1.592 109 H PHE 15 H PHE 15 -10.511 -15.761 2.966 110 HA PHE 15 HA PHE 15 -11.877 -17.925 4.251 111 1HB PHE 15 2HB PHE 15 -9.611 -17.203 4.929 112 2HB PHE 15 1HB PHE 15 -10.275 -15.676 5.521 113 HD1 PHE 15 HD1 PHE 15 -10.143 -19.334 6.039 114 HD2 PHE 15 HD2 PHE 15 -11.595 -15.593 7.571 115 HE1 PHE 15 HE1 PHE 15 -10.733 -20.441 8.179 116 HE2 PHE 15 HE2 PHE 15 -12.189 -16.702 9.712 117 HZ PHE 15 HZ PHE 15 -11.760 -19.129 10.015 118 H LYS 16 H LYS 16 -12.342 -14.426 4.298 119 HA LYS 16 HA LYS 16 -14.279 -14.372 6.416 120 1HB LYS 16 2HB LYS 16 -13.583 -12.536 4.138 121 2HB LYS 16 1HB LYS 16 -15.027 -12.225 5.100 122 1HG LYS 16 2HG LYS 16 -13.556 -12.379 7.162 123 2HG LYS 16 1HG LYS 16 -12.165 -12.401 6.078 124 1HD LYS 16 2HD LYS 16 -13.099 -10.250 5.061 125 2HD LYS 16 1HD LYS 16 -14.211 -10.198 6.429 126 1HE LYS 16 2HE LYS 16 -11.596 -10.717 7.452 127 2HE LYS 16 1HE LYS 16 -11.477 -9.354 6.338 128 1HZ LYS 16 3HZ LYS 16 -13.585 -8.552 7.570 129 2HZ LYS 16 2HZ LYS 16 -13.074 -9.610 8.797 130 3HZ LYS 16 1HZ LYS 16 -12.068 -8.335 8.296 131 H ARG 17 H ARG 17 -14.476 -15.086 2.983 132 HA ARG 17 HA ARG 17 -17.345 -14.920 2.767 133 1HB ARG 17 2HB ARG 17 -15.235 -16.378 1.164 134 2HB ARG 17 1HB ARG 17 -16.950 -16.437 0.750 135 1HG ARG 17 2HG ARG 17 -16.927 -13.904 0.747 136 2HG ARG 17 1HG ARG 17 -15.173 -13.990 0.885 137 1HD ARG 17 2HD ARG 17 -15.271 -15.534 -1.181 138 2HD ARG 17 1HD ARG 17 -16.920 -14.941 -1.384 139 HE ARG 17 HE ARG 17 -15.861 -12.614 -1.447 140 1HH1 ARG 17 1HH1 ARG 17 -13.079 -13.776 -0.889 141 2HH1 ARG 17 2HH1 ARG 17 -12.385 -13.738 -2.476 142 1HH2 ARG 17 1HH2 ARG 17 -15.428 -13.298 -4.082 143 2HH2 ARG 17 2HH2 ARG 17 -13.716 -13.467 -4.284 144 H PHE 18 H PHE 18 -15.083 -17.494 3.634 145 HA PHE 18 HA PHE 18 -17.051 -19.598 3.706 146 1HB PHE 18 2HB PHE 18 -14.317 -19.270 4.942 147 2HB PHE 18 1HB PHE 18 -15.298 -20.710 5.220 148 HD1 PHE 18 HD1 PHE 18 -16.083 -22.069 3.229 149 HD2 PHE 18 HD2 PHE 18 -13.141 -18.957 2.901 150 HE1 PHE 18 HE1 PHE 18 -15.361 -22.984 1.039 151 HE2 PHE 18 HE2 PHE 18 -12.418 -19.872 0.712 152 HZ PHE 18 HZ PHE 18 -13.528 -21.885 -0.219 153 H ASP 19 H ASP 19 -15.576 -17.635 6.299 154 HA ASP 19 HA ASP 19 -17.078 -18.712 8.442 155 1HB ASP 19 2HB ASP 19 -15.137 -16.931 8.420 156 2HB ASP 19 1HB ASP 19 -16.466 -15.769 8.355 157 H ALA 20 H ALA 20 -19.268 -18.991 8.176 158 HA ALA 20 HA ALA 20 -20.949 -17.164 6.729 159 1HB ALA 20 2HB ALA 20 -21.237 -19.721 7.513 160 2HB ALA 20 1HB ALA 20 -22.167 -18.929 8.785 161 3HB ALA 20 3HB ALA 20 -22.609 -18.695 7.093 162 H ASN 21 H ASN 21 -20.635 -17.744 10.277 163 HA ASN 21 HA ASN 21 -22.336 -15.384 10.744 164 1HB ASN 21 2HB ASN 21 -22.183 -15.954 13.108 165 2HB ASN 21 1HB ASN 21 -22.562 -17.402 12.181 166 1HD2 ASN 21 1HD2 ASN 21 -21.280 -17.299 14.813 167 2HD2 ASN 21 2HD2 ASN 21 -19.754 -18.015 14.641 168 H GLY 22 H GLY 22 -18.943 -16.253 10.871 169 1HA GLY 22 1HA GLY 22 -18.314 -13.372 11.170 170 2HA GLY 22 2HA GLY 22 -17.185 -14.617 10.642 171 H ASP 23 H ASP 23 -17.763 -16.450 12.829 172 HA ASP 23 HA ASP 23 -17.036 -14.904 15.245 173 1HB ASP 23 2HB ASP 23 -17.271 -17.031 16.452 174 2HB ASP 23 1HB ASP 23 -18.701 -16.718 15.472 175 H GLY 24 H GLY 24 -15.374 -15.965 12.663 176 1HA GLY 24 1HA GLY 24 -12.877 -16.159 14.239 177 2HA GLY 24 2HA GLY 24 -12.981 -15.863 12.506 178 H LYS 25 H LYS 25 -15.064 -18.385 13.298 179 HA LYS 25 HA LYS 25 -12.988 -20.355 12.461 180 1HB LYS 25 2HB LYS 25 -13.954 -22.002 14.008 181 2HB LYS 25 1HB LYS 25 -13.419 -20.574 14.891 182 1HG LYS 25 2HG LYS 25 -15.617 -19.798 15.206 183 2HG LYS 25 1HG LYS 25 -16.256 -20.802 13.902 184 1HD LYS 25 2HD LYS 25 -15.407 -22.793 15.393 185 2HD LYS 25 1HD LYS 25 -15.458 -21.598 16.690 186 1HE LYS 25 2HE LYS 25 -17.591 -22.976 16.340 187 2HE LYS 25 1HE LYS 25 -17.795 -21.225 16.392 188 1HZ LYS 25 3HZ LYS 25 -17.304 -22.521 13.806 189 2HZ LYS 25 2HZ LYS 25 -18.857 -22.622 14.488 190 3HZ LYS 25 1HZ LYS 25 -18.169 -21.105 14.155 191 H ILE 26 H ILE 26 -13.685 -21.934 11.043 192 HA ILE 26 HA ILE 26 -16.462 -21.599 9.989 193 HB ILE 26 HB ILE 26 -14.203 -22.909 8.490 194 1HG1 ILE 26 2HG1 ILE 26 -14.857 -19.949 8.607 195 2HG1 ILE 26 1HG1 ILE 26 -13.377 -20.706 9.196 196 1HG2 ILE 26 3HG2 ILE 26 -16.689 -21.383 7.650 197 2HG2 ILE 26 2HG2 ILE 26 -15.533 -22.140 6.555 198 3HG2 ILE 26 1HG2 ILE 26 -16.508 -23.137 7.634 199 1HD1 ILE 26 3HD1 ILE 26 -14.039 -21.399 6.417 200 2HD1 ILE 26 2HD1 ILE 26 -13.720 -19.682 6.663 201 3HD1 ILE 26 1HD1 ILE 26 -12.503 -20.878 7.108 202 H SER 27 H SER 27 -17.792 -23.342 10.050 203 HA SER 27 HA SER 27 -16.672 -25.905 11.080 204 1HB SER 27 2HB SER 27 -18.744 -26.319 12.083 205 2HB SER 27 1HB SER 27 -18.624 -24.564 12.226 206 HG SER 27 HG SER 27 -19.862 -24.393 10.330 207 H ALA 28 H ALA 28 -17.820 -27.899 10.166 208 HA ALA 28 HA ALA 28 -17.516 -28.093 7.395 209 1HB ALA 28 1HB ALA 28 -19.071 -29.660 9.418 210 2HB ALA 28 2HB ALA 28 -17.742 -30.182 8.381 211 3HB ALA 28 3HB ALA 28 -19.361 -29.987 7.709 212 H ALA 29 H ALA 29 -20.488 -27.386 9.223 213 HA ALA 29 HA ALA 29 -22.242 -27.191 7.019 214 1HB ALA 29 3HB ALA 29 -22.508 -26.847 9.715 215 2HB ALA 29 1HB ALA 29 -23.751 -26.413 8.542 216 3HB ALA 29 2HB ALA 29 -22.643 -25.182 9.148 217 H GLU 30 H GLU 30 -20.074 -24.760 8.434 218 HA GLU 30 HA GLU 30 -20.929 -22.683 6.597 219 1HB GLU 30 2HB GLU 30 -18.467 -22.922 8.350 220 2HB GLU 30 1HB GLU 30 -18.910 -21.473 7.448 221 1HG GLU 30 2HG GLU 30 -21.068 -21.390 8.667 222 2HG GLU 30 1HG GLU 30 -20.591 -22.816 9.588 223 H LEU 31 H LEU 31 -17.918 -24.604 6.849 224 HA LEU 31 HA LEU 31 -16.813 -23.703 4.387 225 1HB LEU 31 2HB LEU 31 -15.641 -25.034 6.225 226 2HB LEU 31 1HB LEU 31 -16.428 -26.467 5.566 227 HG LEU 31 HG LEU 31 -14.837 -24.621 3.789 228 1HD1 LEU 31 1HD1 LEU 31 -13.649 -25.716 5.950 229 2HD1 LEU 31 3HD1 LEU 31 -13.559 -27.092 4.850 230 3HD1 LEU 31 2HD1 LEU 31 -12.826 -25.552 4.398 231 1HD2 LEU 31 3HD2 LEU 31 -15.803 -27.481 3.703 232 2HD2 LEU 31 2HD2 LEU 31 -16.118 -26.184 2.549 233 3HD2 LEU 31 1HD2 LEU 31 -14.515 -26.913 2.640 234 H GLY 32 H GLY 32 -18.832 -26.536 5.140 235 1HA GLY 32 1HA GLY 32 -20.122 -27.890 3.734 236 2HA GLY 32 2HA GLY 32 -18.932 -27.558 2.477 237 H GLU 33 H GLU 33 -21.069 -25.322 4.238 238 HA GLU 33 HA GLU 33 -22.996 -24.962 2.200 239 1HB GLU 33 2HB GLU 33 -22.048 -23.368 4.533 240 2HB GLU 33 1HB GLU 33 -23.012 -22.528 3.322 241 1HG GLU 33 2HG GLU 33 -24.689 -24.440 3.512 242 2HG GLU 33 1HG GLU 33 -23.784 -24.973 4.930 243 H ALA 34 H ALA 34 -19.901 -23.290 2.737 244 HA ALA 34 HA ALA 34 -20.261 -21.524 0.462 245 1HB ALA 34 1HB ALA 34 -18.662 -20.597 1.829 246 2HB ALA 34 3HB ALA 34 -18.084 -22.168 2.385 247 3HB ALA 34 2HB ALA 34 -17.578 -21.548 0.813 248 H LEU 35 H LEU 35 -18.636 -24.605 1.056 249 HA LEU 35 HA LEU 35 -17.352 -24.897 -1.453 250 1HB LEU 35 2HB LEU 35 -18.197 -26.687 0.740 251 2HB LEU 35 1HB LEU 35 -18.051 -27.467 -0.835 252 HG LEU 35 HG LEU 35 -15.915 -25.825 0.560 253 1HD1 LEU 35 1HD1 LEU 35 -16.173 -28.776 -0.090 254 2HD1 LEU 35 3HD1 LEU 35 -14.691 -28.019 0.495 255 3HD1 LEU 35 2HD1 LEU 35 -16.129 -28.048 1.515 256 1HD2 LEU 35 1HD2 LEU 35 -16.167 -26.949 -2.216 257 2HD2 LEU 35 3HD2 LEU 35 -15.527 -25.388 -1.702 258 3HD2 LEU 35 2HD2 LEU 35 -14.578 -26.854 -1.458 259 H LYS 36 H LYS 36 -20.712 -25.453 -0.495 260 HA LYS 36 HA LYS 36 -21.704 -26.988 -2.571 261 1HB LYS 36 2HB LYS 36 -22.785 -25.157 -0.694 262 2HB LYS 36 1HB LYS 36 -23.436 -24.706 -2.270 263 1HG LYS 36 2HG LYS 36 -24.303 -26.912 -2.639 264 2HG LYS 36 1HG LYS 36 -23.420 -27.558 -1.255 265 1HD LYS 36 2HD LYS 36 -25.135 -25.298 -0.535 266 2HD LYS 36 1HD LYS 36 -26.045 -26.643 -1.220 267 1HE LYS 36 2HE LYS 36 -24.022 -27.608 0.621 268 2HE LYS 36 1HE LYS 36 -25.075 -26.435 1.412 269 1HZ LYS 36 1HZ LYS 36 -26.712 -28.048 -0.127 270 2HZ LYS 36 3HZ LYS 36 -25.636 -29.101 0.655 271 3HZ LYS 36 2HZ LYS 36 -26.585 -28.026 1.567 272 H THR 37 H THR 37 -20.455 -23.722 -2.765 273 HA THR 37 HA THR 37 -21.549 -22.807 -5.169 274 HB THR 37 HB THR 37 -19.855 -21.637 -3.639 275 HG1 THR 37 HG1 THR 37 -19.768 -21.643 -6.449 276 1HG2 THR 37 2HG2 THR 37 -18.204 -23.553 -3.799 277 2HG2 THR 37 1HG2 THR 37 -17.863 -23.022 -5.446 278 3HG2 THR 37 3HG2 THR 37 -17.517 -21.954 -4.087 279 H LEU 38 H LEU 38 -19.307 -25.407 -4.625 280 HA LEU 38 HA LEU 38 -18.214 -25.620 -7.258 281 1HB LEU 38 2HB LEU 38 -18.724 -27.684 -5.103 282 2HB LEU 38 1HB LEU 38 -17.905 -28.067 -6.618 283 HG LEU 38 HG LEU 38 -17.023 -26.075 -4.510 284 1HD1 LEU 38 2HD1 LEU 38 -16.268 -28.819 -5.315 285 2HD1 LEU 38 1HD1 LEU 38 -14.912 -27.715 -5.087 286 3HD1 LEU 38 3HD1 LEU 38 -16.049 -27.998 -3.769 287 1HD2 LEU 38 2HD2 LEU 38 -16.149 -26.503 -7.363 288 2HD2 LEU 38 1HD2 LEU 38 -16.475 -24.985 -6.525 289 3HD2 LEU 38 3HD2 LEU 38 -15.012 -25.900 -6.157 290 H GLY 39 H GLY 39 -21.252 -26.707 -5.850 291 1HA GLY 39 1HA GLY 39 -22.491 -26.944 -8.444 292 2HA GLY 39 2HA GLY 39 -23.216 -27.439 -6.914 293 H SER 40 H SER 40 -20.371 -28.982 -6.830 294 HA SER 40 HA SER 40 -21.566 -31.506 -7.739 295 1HB SER 40 2HB SER 40 -19.563 -30.032 -9.305 296 2HB SER 40 1HB SER 40 -19.101 -31.699 -8.962 297 HG SER 40 HG SER 40 -20.491 -32.290 -10.392 298 H ILE 41 H ILE 41 -20.987 -30.895 -5.163 299 HA ILE 41 HA ILE 41 -18.600 -32.598 -4.642 300 HB ILE 41 HB ILE 41 -18.221 -30.024 -4.355 301 1HG1 ILE 41 2HG1 ILE 41 -17.596 -31.767 -1.966 302 2HG1 ILE 41 1HG1 ILE 41 -16.792 -31.979 -3.522 303 1HG2 ILE 41 2HG2 ILE 41 -20.443 -29.996 -2.931 304 2HG2 ILE 41 1HG2 ILE 41 -19.372 -30.511 -1.626 305 3HG2 ILE 41 3HG2 ILE 41 -19.080 -28.982 -2.456 306 1HD1 ILE 41 2HD1 ILE 41 -16.887 -29.185 -2.582 307 2HD1 ILE 41 1HD1 ILE 41 -15.942 -30.262 -1.553 308 3HD1 ILE 41 3HD1 ILE 41 -15.541 -30.098 -3.263 309 H THR 42 H THR 42 -18.634 -33.295 -2.235 310 HA THR 42 HA THR 42 -21.470 -33.691 -1.363 311 HB THR 42 HB THR 42 -21.197 -35.944 -1.274 312 HG1 THR 42 HG1 THR 42 -19.754 -36.770 0.031 313 1HG2 THR 42 3HG2 THR 42 -20.113 -35.403 -3.467 314 2HG2 THR 42 2HG2 THR 42 -18.550 -35.425 -2.650 315 3HG2 THR 42 1HG2 THR 42 -19.516 -36.898 -2.746 316 HA PRO 43 HA PRO 43 -20.221 -32.348 2.669 317 1HB PRO 43 2HB PRO 43 -21.372 -34.143 4.333 318 2HB PRO 43 1HB PRO 43 -22.300 -32.917 3.464 319 1HG PRO 43 2HG PRO 43 -21.889 -35.810 2.800 320 2HG PRO 43 1HG PRO 43 -23.374 -34.855 2.734 321 1HD PRO 43 1HD PRO 43 -21.931 -35.407 0.517 322 2HD PRO 43 2HD PRO 43 -22.816 -33.893 0.703 323 H ASP 44 H ASP 44 -19.783 -35.787 1.980 324 HA ASP 44 HA ASP 44 -17.966 -36.380 4.086 325 1HB ASP 44 2HB ASP 44 -18.154 -37.576 1.306 326 2HB ASP 44 1HB ASP 44 -17.257 -38.282 2.649 327 H GLU 45 H GLU 45 -17.465 -34.785 0.975 328 HA GLU 45 HA GLU 45 -14.549 -34.967 1.198 329 1HB GLU 45 2HB GLU 45 -16.298 -33.279 -0.624 330 2HB GLU 45 1HB GLU 45 -14.556 -33.494 -0.787 331 1HG GLU 45 2HG GLU 45 -15.010 -35.999 -0.933 332 2HG GLU 45 1HG GLU 45 -16.717 -35.590 -1.095 333 H VAL 46 H VAL 46 -17.115 -32.650 1.847 334 HA VAL 46 HA VAL 46 -15.392 -30.426 2.454 335 HB VAL 46 HB VAL 46 -18.221 -31.082 3.313 336 1HG1 VAL 46 2HG1 VAL 46 -16.467 -29.233 4.496 337 2HG1 VAL 46 1HG1 VAL 46 -17.476 -28.275 3.414 338 3HG1 VAL 46 3HG1 VAL 46 -18.222 -29.272 4.663 339 1HG2 VAL 46 2HG2 VAL 46 -17.093 -30.214 0.878 340 2HG2 VAL 46 1HG2 VAL 46 -18.805 -30.240 1.308 341 3HG2 VAL 46 3HG2 VAL 46 -17.846 -28.789 1.594 342 H LYS 47 H LYS 47 -16.709 -33.095 4.341 343 HA LYS 47 HA LYS 47 -15.802 -32.088 6.901 344 1HB LYS 47 2HB LYS 47 -16.578 -34.851 5.936 345 2HB LYS 47 1HB LYS 47 -16.096 -34.522 7.600 346 1HG LYS 47 2HG LYS 47 -17.900 -32.803 7.741 347 2HG LYS 47 1HG LYS 47 -18.416 -33.252 6.115 348 1HD LYS 47 2HD LYS 47 -18.693 -35.621 6.955 349 2HD LYS 47 1HD LYS 47 -18.396 -35.011 8.583 350 1HE LYS 47 2HE LYS 47 -20.370 -33.714 8.582 351 2HE LYS 47 1HE LYS 47 -20.519 -33.781 6.827 352 1HZ LYS 47 2HZ LYS 47 -20.689 -36.193 8.537 353 2HZ LYS 47 1HZ LYS 47 -22.054 -35.268 8.125 354 3HZ LYS 47 3HZ LYS 47 -21.149 -36.028 6.909 355 H HIS 48 H HIS 48 -14.439 -34.206 4.427 356 HA HIS 48 HA HIS 48 -12.101 -34.963 5.928 357 1HB HIS 48 2HB HIS 48 -12.862 -36.186 3.912 358 2HB HIS 48 1HB HIS 48 -12.479 -34.777 2.924 359 HD1 HIS 48 HD1 HIS 48 -10.466 -35.596 1.636 360 HD2 HIS 48 HD2 HIS 48 -10.104 -36.283 5.732 361 HE1 HIS 48 HE1 HIS 48 -8.102 -36.421 2.018 362 H MET 49 H MET 49 -12.857 -32.254 3.763 363 HA MET 49 HA MET 49 -10.218 -31.210 3.531 364 1HB MET 49 2HB MET 49 -12.980 -30.050 3.335 365 2HB MET 49 1HB MET 49 -11.590 -28.968 3.354 366 1HG MET 49 2HG MET 49 -10.660 -30.658 1.538 367 2HG MET 49 1HG MET 49 -12.373 -31.013 1.310 368 1HE MET 49 1HE MET 49 -12.685 -30.588 -0.626 369 2HE MET 49 3HE MET 49 -13.544 -29.084 -0.982 370 3HE MET 49 2HE MET 49 -11.933 -29.358 -1.640 371 H MET 50 H MET 50 -12.805 -30.528 5.872 372 HA MET 50 HA MET 50 -11.334 -28.655 7.440 373 1HB MET 50 2HB MET 50 -13.671 -30.472 7.985 374 2HB MET 50 1HB MET 50 -12.963 -29.512 9.281 375 1HG MET 50 2HG MET 50 -13.205 -27.498 7.705 376 2HG MET 50 1HG MET 50 -14.240 -28.535 6.724 377 1HE MET 50 2HE MET 50 -13.572 -26.558 9.711 378 2HE MET 50 1HE MET 50 -14.973 -26.650 10.775 379 3HE MET 50 3HE MET 50 -13.801 -27.975 10.733 380 H ALA 51 H ALA 51 -11.785 -32.164 7.810 381 HA ALA 51 HA ALA 51 -10.182 -32.495 10.129 382 1HB ALA 51 3HB ALA 51 -11.122 -34.525 9.742 383 2HB ALA 51 1HB ALA 51 -9.743 -34.806 8.678 384 3HB ALA 51 2HB ALA 51 -11.267 -34.219 8.011 385 H GLU 52 H GLU 52 -9.324 -31.718 6.893 386 HA GLU 52 HA GLU 52 -6.491 -32.517 7.325 387 1HB GLU 52 2HB GLU 52 -8.098 -31.666 4.924 388 2HB GLU 52 1HB GLU 52 -6.336 -31.589 4.889 389 1HG GLU 52 2HG GLU 52 -6.519 -34.054 5.823 390 2HG GLU 52 1HG GLU 52 -8.128 -33.988 5.103 391 H ILE 53 H ILE 53 -8.548 -29.697 6.846 392 HA ILE 53 HA ILE 53 -6.298 -27.826 6.899 393 HB ILE 53 HB ILE 53 -9.284 -27.358 7.108 394 1HG1 ILE 53 2HG1 ILE 53 -7.432 -27.098 4.726 395 2HG1 ILE 53 1HG1 ILE 53 -8.505 -28.468 5.001 396 1HG2 ILE 53 3HG2 ILE 53 -7.664 -25.569 7.969 397 2HG2 ILE 53 2HG2 ILE 53 -7.139 -25.395 6.293 398 3HG2 ILE 53 1HG2 ILE 53 -8.814 -25.060 6.732 399 1HD1 ILE 53 3HD1 ILE 53 -10.354 -26.621 5.237 400 2HD1 ILE 53 2HD1 ILE 53 -9.206 -25.619 4.350 401 3HD1 ILE 53 1HD1 ILE 53 -9.819 -27.108 3.630 402 H ASP 54 H ASP 54 -8.685 -29.096 9.152 403 HA ASP 54 HA ASP 54 -8.386 -27.242 11.264 404 1HB ASP 54 2HB ASP 54 -9.979 -29.311 10.905 405 2HB ASP 54 1HB ASP 54 -8.719 -30.181 11.768 406 H THR 55 H THR 55 -6.284 -26.653 11.774 407 HA THR 55 HA THR 55 -4.085 -28.516 11.877 408 HB THR 55 HB THR 55 -2.853 -26.639 12.920 409 HG1 THR 55 HG1 THR 55 -4.288 -25.639 14.184 410 1HG2 THR 55 3HG2 THR 55 -4.640 -25.979 10.568 411 2HG2 THR 55 2HG2 THR 55 -3.288 -24.965 11.073 412 3HG2 THR 55 1HG2 THR 55 -2.995 -26.613 10.519 413 H ASP 56 H ASP 56 -6.025 -26.950 14.427 414 HA ASP 56 HA ASP 56 -4.668 -28.568 16.478 415 1HB ASP 56 2HB ASP 56 -5.799 -27.254 18.076 416 2HB ASP 56 1HB ASP 56 -5.505 -26.129 16.751 417 H GLY 57 H GLY 57 -7.806 -28.427 14.876 418 1HA GLY 57 1HA GLY 57 -8.320 -31.179 15.879 419 2HA GLY 57 2HA GLY 57 -9.082 -30.457 14.465 420 H ASP 58 H ASP 58 -9.663 -27.915 16.003 421 HA ASP 58 HA ASP 58 -11.457 -28.793 18.152 422 1HB ASP 58 2HB ASP 58 -11.974 -26.476 18.471 423 2HB ASP 58 1HB ASP 58 -10.252 -26.546 18.115 424 H GLY 59 H GLY 59 -11.637 -28.888 14.839 425 1HA GLY 59 1HA GLY 59 -14.602 -29.028 14.967 426 2HA GLY 59 2HA GLY 59 -13.597 -29.761 13.717 427 H PHE 60 H PHE 60 -12.412 -26.693 14.301 428 HA PHE 60 HA PHE 60 -13.935 -25.653 11.960 429 1HB PHE 60 2HB PHE 60 -13.210 -23.959 14.356 430 2HB PHE 60 1HB PHE 60 -14.222 -23.509 12.983 431 HD1 PHE 60 HD1 PHE 60 -14.011 -25.663 15.993 432 HD2 PHE 60 HD2 PHE 60 -16.518 -24.174 12.841 433 HE1 PHE 60 HE1 PHE 60 -16.007 -26.550 17.163 434 HE2 PHE 60 HE2 PHE 60 -18.512 -25.063 14.009 435 HZ PHE 60 HZ PHE 60 -18.260 -26.251 16.171 436 H ILE 61 H ILE 61 -12.853 -23.971 10.765 437 HA ILE 61 HA ILE 61 -9.895 -24.107 11.035 438 HB ILE 61 HB ILE 61 -11.522 -23.267 8.624 439 1HG1 ILE 61 2HG1 ILE 61 -12.033 -25.598 9.144 440 2HG1 ILE 61 1HG1 ILE 61 -10.969 -25.535 7.740 441 1HG2 ILE 61 1HG2 ILE 61 -9.098 -22.524 8.881 442 2HG2 ILE 61 3HG2 ILE 61 -8.658 -24.228 8.794 443 3HG2 ILE 61 2HG2 ILE 61 -9.456 -23.453 7.426 444 1HD1 ILE 61 2HD1 ILE 61 -9.019 -25.951 9.225 445 2HD1 ILE 61 1HD1 ILE 61 -10.114 -26.070 10.602 446 3HD1 ILE 61 3HD1 ILE 61 -10.197 -27.264 9.306 447 H SER 62 H SER 62 -8.867 -22.217 11.579 448 HA SER 62 HA SER 62 -10.520 -19.757 11.744 449 1HB SER 62 2HB SER 62 -7.940 -19.280 12.798 450 2HB SER 62 1HB SER 62 -9.432 -19.523 13.707 451 HG SER 62 HG SER 62 -7.396 -21.328 13.083 452 H PHE 63 H PHE 63 -9.291 -17.690 11.122 453 HA PHE 63 HA PHE 63 -8.546 -17.785 8.401 454 1HB PHE 63 2HB PHE 63 -9.152 -15.680 9.577 455 2HB PHE 63 1HB PHE 63 -7.619 -15.750 10.453 456 HD1 PHE 63 HD1 PHE 63 -8.720 -16.281 6.907 457 HD2 PHE 63 HD2 PHE 63 -5.988 -14.331 9.584 458 HE1 PHE 63 HE1 PHE 63 -7.568 -15.244 4.973 459 HE2 PHE 63 HE2 PHE 63 -4.830 -13.298 7.651 460 HZ PHE 63 HZ PHE 63 -5.625 -13.753 5.343 461 H GLN 64 H GLN 64 -6.530 -17.826 11.318 462 HA GLN 64 HA GLN 64 -3.994 -17.848 10.049 463 1HB GLN 64 2HB GLN 64 -4.451 -17.614 12.524 464 2HB GLN 64 1HB GLN 64 -4.759 -19.350 12.570 465 1HG GLN 64 2HG GLN 64 -2.451 -19.016 13.195 466 2HG GLN 64 1HG GLN 64 -2.458 -19.687 11.565 467 1HE2 GLN 64 1HE2 GLN 64 -0.682 -18.673 10.563 468 2HE2 GLN 64 2HE2 GLN 64 -0.444 -16.993 10.514 469 H GLU 65 H GLU 65 -6.057 -20.592 11.079 470 HA GLU 65 HA GLU 65 -4.381 -22.655 10.062 471 1HB GLU 65 2HB GLU 65 -7.335 -22.445 10.607 472 2HB GLU 65 1HB GLU 65 -6.654 -23.903 9.897 473 1HG GLU 65 2HG GLU 65 -5.126 -24.145 11.800 474 2HG GLU 65 1HG GLU 65 -5.738 -22.648 12.501 475 H PHE 66 H PHE 66 -7.109 -20.919 8.584 476 HA PHE 66 HA PHE 66 -7.043 -22.277 6.074 477 1HB PHE 66 2HB PHE 66 -8.937 -20.870 6.743 478 2HB PHE 66 1HB PHE 66 -7.901 -19.444 6.739 479 HD1 PHE 66 HD1 PHE 66 -7.085 -18.476 4.643 480 HD2 PHE 66 HD2 PHE 66 -9.647 -21.923 4.655 481 HE1 PHE 66 HE1 PHE 66 -7.516 -18.164 2.220 482 HE2 PHE 66 HE2 PHE 66 -10.078 -21.612 2.233 483 HZ PHE 66 HZ PHE 66 -9.014 -19.731 1.016 484 H THR 67 H THR 67 -5.220 -19.551 7.354 485 HA THR 67 HA THR 67 -4.017 -18.795 4.836 486 HB THR 67 HB THR 67 -3.275 -18.302 7.727 487 HG1 THR 67 HG1 THR 67 -4.166 -16.388 7.350 488 1HG2 THR 67 3HG2 THR 67 -1.839 -17.462 5.201 489 2HG2 THR 67 2HG2 THR 67 -1.627 -16.636 6.745 490 3HG2 THR 67 1HG2 THR 67 -1.172 -18.332 6.583 491 H ASP 68 H ASP 68 -2.898 -20.776 7.591 492 HA ASP 68 HA ASP 68 -0.376 -21.486 6.479 493 1HB ASP 68 2HB ASP 68 -1.162 -21.887 8.861 494 2HB ASP 68 1HB ASP 68 -2.078 -23.261 8.243 495 H PHE 69 H PHE 69 -3.588 -22.945 6.128 496 HA PHE 69 HA PHE 69 -2.573 -25.118 4.460 497 1HB PHE 69 2HB PHE 69 -4.484 -25.870 5.489 498 2HB PHE 69 1HB PHE 69 -5.189 -24.260 5.582 499 HD1 PHE 69 HD1 PHE 69 -6.037 -23.199 3.411 500 HD2 PHE 69 HD2 PHE 69 -5.170 -27.383 3.815 501 HE1 PHE 69 HE1 PHE 69 -7.435 -23.680 1.416 502 HE2 PHE 69 HE2 PHE 69 -6.561 -27.867 1.823 503 HZ PHE 69 HZ PHE 69 -7.698 -26.017 0.622 504 H GLY 70 H GLY 70 -4.205 -22.014 3.990 505 1HA GLY 70 1HA GLY 70 -4.485 -20.719 2.054 506 2HA GLY 70 2HA GLY 70 -4.678 -22.244 1.190 507 H ARG 71 H ARG 71 -1.771 -21.626 3.014 508 HA ARG 71 HA ARG 71 -0.259 -20.569 0.757 509 1HB ARG 71 2HB ARG 71 0.530 -21.617 3.483 510 2HB ARG 71 1HB ARG 71 1.720 -21.080 2.296 511 1HG ARG 71 2HG ARG 71 0.472 -18.885 2.170 512 2HG ARG 71 1HG ARG 71 -0.510 -19.436 3.527 513 1HD ARG 71 2HD ARG 71 2.497 -19.038 3.504 514 2HD ARG 71 1HD ARG 71 1.312 -18.086 4.399 515 HE ARG 71 HE ARG 71 1.027 -20.806 5.182 516 1HH1 ARG 71 1HH1 ARG 71 1.531 -18.279 6.892 517 2HH1 ARG 71 2HH1 ARG 71 2.995 -18.735 7.697 518 1HH2 ARG 71 1HH2 ARG 71 3.669 -21.369 5.545 519 2HH2 ARG 71 2HH2 ARG 71 4.207 -20.485 6.934 520 H ALA 72 H ALA 72 -0.765 -23.730 2.238 521 HA ALA 72 HA ALA 72 1.269 -25.114 0.746 522 1HB ALA 72 1HB ALA 72 -0.625 -27.033 1.227 523 2HB ALA 72 2HB ALA 72 -1.026 -25.838 2.461 524 3HB ALA 72 3HB ALA 72 0.595 -26.532 2.398 525 H ASN 73 H ASN 73 -1.799 -23.837 -0.111 526 HA ASN 73 HA ASN 73 -1.499 -24.971 -2.827 527 1HB ASN 73 2HB ASN 73 -3.975 -25.549 -2.834 528 2HB ASN 73 1HB ASN 73 -2.968 -26.604 -1.843 529 1HD2 ASN 73 1HD2 ASN 73 -3.427 -26.705 0.391 530 2HD2 ASN 73 2HD2 ASN 73 -4.590 -25.738 1.161 531 H ARG 74 H ARG 74 -0.962 -22.393 -2.215 532 HA ARG 74 HA ARG 74 -2.989 -20.482 -2.098 533 1HB ARG 74 2HB ARG 74 -0.471 -20.403 -3.789 534 2HB ARG 74 1HB ARG 74 -1.471 -19.000 -3.412 535 1HG ARG 74 2HG ARG 74 -1.111 -19.521 -0.962 536 2HG ARG 74 1HG ARG 74 0.064 -20.737 -1.460 537 1HD ARG 74 2HD ARG 74 0.193 -17.784 -2.147 538 2HD ARG 74 1HD ARG 74 1.171 -18.590 -0.922 539 HE ARG 74 HE ARG 74 1.710 -20.049 -3.192 540 1HH1 ARG 74 1HH1 ARG 74 0.954 -17.386 -4.541 541 2HH1 ARG 74 2HH1 ARG 74 2.518 -16.666 -4.722 542 1HH2 ARG 74 1HH2 ARG 74 4.065 -18.830 -2.497 543 2HH2 ARG 74 2HH2 ARG 74 4.279 -17.484 -3.565 544 H GLY 75 H GLY 75 -1.877 -22.355 -4.868 545 1HA GLY 75 1HA GLY 75 -2.888 -22.763 -6.927 546 2HA GLY 75 2HA GLY 75 -3.353 -21.063 -6.908 547 H LEU 76 H LEU 76 -4.385 -23.131 -4.317 548 HA LEU 76 HA LEU 76 -6.945 -23.840 -5.523 549 1HB LEU 76 2HB LEU 76 -5.787 -24.076 -2.746 550 2HB LEU 76 1HB LEU 76 -7.475 -24.467 -3.072 551 HG LEU 76 HG LEU 76 -5.065 -25.717 -4.428 552 1HD1 LEU 76 2HD1 LEU 76 -6.398 -26.294 -1.972 553 2HD1 LEU 76 1HD1 LEU 76 -6.816 -27.568 -3.118 554 3HD1 LEU 76 3HD1 LEU 76 -5.124 -27.226 -2.759 555 1HD2 LEU 76 1HD2 LEU 76 -7.989 -25.740 -4.985 556 2HD2 LEU 76 3HD2 LEU 76 -6.632 -25.928 -6.095 557 3HD2 LEU 76 2HD2 LEU 76 -7.151 -27.288 -5.098 558 H LEU 77 H LEU 77 -5.852 -21.518 -3.069 559 HA LEU 77 HA LEU 77 -8.455 -20.413 -2.562 560 1HB LEU 77 2HB LEU 77 -5.750 -19.079 -2.246 561 2HB LEU 77 1HB LEU 77 -7.253 -18.592 -1.462 562 HG LEU 77 HG LEU 77 -5.671 -21.136 -1.030 563 1HD1 LEU 77 1HD1 LEU 77 -6.371 -18.696 0.557 564 2HD1 LEU 77 3HD1 LEU 77 -6.186 -20.227 1.411 565 3HD1 LEU 77 2HD1 LEU 77 -4.844 -19.574 0.471 566 1HD2 LEU 77 3HD2 LEU 77 -8.562 -20.545 -0.608 567 2HD2 LEU 77 2HD2 LEU 77 -7.765 -22.084 -0.936 568 3HD2 LEU 77 1HD2 LEU 77 -7.724 -21.400 0.688 569 H LYS 78 H LYS 78 -6.189 -19.972 -5.151 570 HA LYS 78 HA LYS 78 -7.256 -17.375 -5.973 571 1HB LYS 78 2HB LYS 78 -5.489 -19.373 -7.421 572 2HB LYS 78 1HB LYS 78 -5.868 -17.752 -8.007 573 1HG LYS 78 2HG LYS 78 -4.970 -16.920 -5.734 574 2HG LYS 78 1HG LYS 78 -4.283 -18.536 -5.558 575 1HD LYS 78 2HD LYS 78 -3.780 -16.686 -7.910 576 2HD LYS 78 1HD LYS 78 -2.666 -16.931 -6.564 577 1HE LYS 78 2HE LYS 78 -2.170 -19.119 -7.200 578 2HE LYS 78 1HE LYS 78 -3.685 -19.314 -8.081 579 1HZ LYS 78 1HZ LYS 78 -1.434 -17.560 -8.902 580 2HZ LYS 78 3HZ LYS 78 -1.791 -19.076 -9.574 581 3HZ LYS 78 2HZ LYS 78 -2.885 -17.788 -9.757 582 H ASP 79 H ASP 79 -8.103 -20.686 -6.398 583 HA ASP 79 HA ASP 79 -9.673 -20.191 -8.842 584 1HB ASP 79 2HB ASP 79 -9.024 -22.574 -7.142 585 2HB ASP 79 1HB ASP 79 -10.414 -22.644 -8.222 586 H VAL 80 H VAL 80 -10.179 -20.717 -5.388 587 HA VAL 80 HA VAL 80 -13.071 -20.820 -5.565 588 HB VAL 80 HB VAL 80 -11.256 -20.163 -3.223 589 1HG1 VAL 80 2HG1 VAL 80 -13.937 -19.641 -3.401 590 2HG1 VAL 80 1HG1 VAL 80 -13.949 -21.289 -2.774 591 3HG1 VAL 80 3HG1 VAL 80 -13.100 -20.018 -1.895 592 1HG2 VAL 80 2HG2 VAL 80 -12.355 -22.694 -4.401 593 2HG2 VAL 80 1HG2 VAL 80 -10.748 -22.373 -3.747 594 3HG2 VAL 80 3HG2 VAL 80 -12.117 -22.594 -2.655 595 H ALA 81 H ALA 81 -10.676 -18.286 -5.055 596 HA ALA 81 HA ALA 81 -12.353 -16.168 -4.261 597 1HB ALA 81 1HB ALA 81 -10.395 -15.313 -6.246 598 2HB ALA 81 2HB ALA 81 -9.695 -16.420 -5.064 599 3HB ALA 81 3HB ALA 81 -10.479 -14.936 -4.525 600 H LYS 82 H LYS 82 -11.529 -17.191 -7.575 601 HA LYS 82 HA LYS 82 -13.175 -15.275 -8.902 602 1HB LYS 82 2HB LYS 82 -12.424 -18.067 -9.822 603 2HB LYS 82 1HB LYS 82 -12.998 -16.757 -10.854 604 1HG LYS 82 2HG LYS 82 -11.035 -15.395 -10.197 605 2HG LYS 82 1HG LYS 82 -10.454 -16.729 -9.202 606 1HD LYS 82 2HD LYS 82 -10.335 -18.171 -11.206 607 2HD LYS 82 1HD LYS 82 -10.907 -16.831 -12.200 608 1HE LYS 82 2HE LYS 82 -8.922 -15.624 -11.948 609 2HE LYS 82 1HE LYS 82 -8.491 -16.454 -10.453 610 1HZ LYS 82 3HZ LYS 82 -8.194 -18.497 -11.792 611 2HZ LYS 82 2HZ LYS 82 -8.434 -17.575 -13.200 612 3HZ LYS 82 1HZ LYS 82 -7.102 -17.263 -12.193 613 H ILE 83 H ILE 83 -13.914 -18.345 -7.375 614 HA ILE 83 HA ILE 83 -16.444 -18.840 -8.595 615 HB ILE 83 HB ILE 83 -15.425 -19.491 -5.815 616 1HG1 ILE 83 2HG1 ILE 83 -15.659 -21.098 -8.375 617 2HG1 ILE 83 1HG1 ILE 83 -14.163 -20.560 -7.613 618 1HG2 ILE 83 2HG2 ILE 83 -18.015 -20.060 -7.206 619 2HG2 ILE 83 1HG2 ILE 83 -17.327 -21.311 -6.169 620 3HG2 ILE 83 3HG2 ILE 83 -17.711 -19.724 -5.502 621 1HD1 ILE 83 2HD1 ILE 83 -15.818 -21.981 -5.706 622 2HD1 ILE 83 1HD1 ILE 83 -15.530 -22.975 -7.134 623 3HD1 ILE 83 3HD1 ILE 83 -14.167 -22.330 -6.219 624 H PHE 84 H PHE 84 -15.458 -16.702 -5.987 625 HA PHE 84 HA PHE 84 -18.299 -15.833 -5.679 626 1HB PHE 84 2HB PHE 84 -15.920 -15.406 -3.845 627 2HB PHE 84 1HB PHE 84 -17.571 -14.873 -3.524 628 HD1 PHE 84 HD1 PHE 84 -15.631 -17.964 -4.405 629 HD2 PHE 84 HD2 PHE 84 -19.025 -16.293 -2.365 630 HE1 PHE 84 HE1 PHE 84 -16.172 -20.198 -3.472 631 HE2 PHE 84 HE2 PHE 84 -19.565 -18.526 -1.434 632 HZ PHE 84 HZ PHE 84 -18.140 -20.479 -1.988 No H/Q in entry = 632 Start of MODEL 3 1 H1 ALA 1 2H ALA 1 10.183 -18.131 0.108 2 H2 ALA 1 1H ALA 1 9.860 -19.785 0.323 3 H3 ALA 1 3H ALA 1 10.001 -19.147 -1.242 4 HA ALA 1 HA ALA 1 7.782 -19.044 -1.208 5 1HB ALA 1 3HB ALA 1 7.616 -20.432 0.785 6 2HB ALA 1 2HB ALA 1 8.042 -19.063 1.813 7 3HB ALA 1 1HB ALA 1 6.505 -19.072 0.949 8 H ASP 2 H ASP 2 7.174 -17.096 -2.011 9 HA ASP 2 HA ASP 2 7.892 -14.631 -0.533 10 1HB ASP 2 2HB ASP 2 8.316 -14.774 -2.984 11 2HB ASP 2 1HB ASP 2 6.582 -14.957 -3.249 12 H ASP 3 H ASP 3 6.421 -14.266 1.096 13 HA ASP 3 HA ASP 3 3.531 -14.285 0.318 14 1HB ASP 3 2HB ASP 3 4.048 -16.093 1.922 15 2HB ASP 3 1HB ASP 3 4.730 -14.907 3.035 16 H HIS 4 H HIS 4 2.775 -12.227 0.267 17 HA HIS 4 HA HIS 4 4.019 -10.235 2.119 18 1HB HIS 4 2HB HIS 4 2.614 -8.757 0.255 19 2HB HIS 4 1HB HIS 4 4.342 -9.078 0.192 20 HD1 HIS 4 HD1 HIS 4 1.095 -10.024 -1.393 21 HD2 HIS 4 HD2 HIS 4 5.104 -11.132 -1.669 22 HE1 HIS 4 HE1 HIS 4 1.309 -11.420 -3.495 23 HA PRO 5 HA PRO 5 0.133 -9.395 4.075 24 1HB PRO 5 2HB PRO 5 -0.161 -6.710 3.922 25 2HB PRO 5 1HB PRO 5 1.009 -7.487 4.993 26 1HG PRO 5 2HG PRO 5 1.433 -6.248 2.295 27 2HG PRO 5 1HG PRO 5 2.417 -6.095 3.756 28 1HD PRO 5 1HD PRO 5 3.109 -7.761 1.752 29 2HD PRO 5 2HD PRO 5 3.437 -8.153 3.440 30 H GLN 6 H GLN 6 0.578 -8.199 0.826 31 HA GLN 6 HA GLN 6 -2.098 -7.358 0.285 32 1HB GLN 6 2HB GLN 6 0.273 -8.162 -1.327 33 2HB GLN 6 1HB GLN 6 -1.294 -8.231 -2.135 34 1HG GLN 6 2HG GLN 6 -1.670 -5.934 -1.891 35 2HG GLN 6 1HG GLN 6 -0.548 -5.795 -0.537 36 1HE2 GLN 6 1HE2 GLN 6 1.832 -6.686 -1.352 37 2HE2 GLN 6 2HE2 GLN 6 2.355 -5.952 -2.791 38 H ASP 7 H ASP 7 -0.495 -10.511 0.041 39 HA ASP 7 HA ASP 7 -2.682 -11.908 -1.156 40 1HB ASP 7 2HB ASP 7 -0.478 -12.881 0.683 41 2HB ASP 7 1HB ASP 7 -1.604 -13.949 -0.157 42 H LYS 8 H LYS 8 -1.843 -11.278 2.231 43 HA LYS 8 HA LYS 8 -3.775 -12.865 3.507 44 1HB LYS 8 2HB LYS 8 -2.413 -10.291 4.166 45 2HB LYS 8 1HB LYS 8 -3.805 -10.756 5.146 46 1HG LYS 8 2HG LYS 8 -2.548 -13.110 5.144 47 2HG LYS 8 1HG LYS 8 -1.140 -12.082 4.879 48 1HD LYS 8 2HD LYS 8 -1.892 -10.700 6.860 49 2HD LYS 8 1HD LYS 8 -3.112 -11.933 7.175 50 1HE LYS 8 2HE LYS 8 -1.583 -13.221 8.210 51 2HE LYS 8 1HE LYS 8 -0.570 -13.213 6.766 52 1HZ LYS 8 1HZ LYS 8 -0.633 -11.024 8.769 53 2HZ LYS 8 3HZ LYS 8 0.519 -12.269 8.758 54 3HZ LYS 8 2HZ LYS 8 0.436 -11.180 7.457 55 H ALA 9 H ALA 9 -4.135 -9.719 1.947 56 HA ALA 9 HA ALA 9 -6.782 -9.141 2.811 57 1HB ALA 9 2HB ALA 9 -5.011 -7.805 1.286 58 2HB ALA 9 3HB ALA 9 -6.735 -7.434 1.265 59 3HB ALA 9 1HB ALA 9 -6.037 -8.456 0.008 60 H GLU 10 H GLU 10 -5.606 -10.921 -0.028 61 HA GLU 10 HA GLU 10 -8.223 -11.577 -1.027 62 1HB GLU 10 2HB GLU 10 -5.656 -13.148 -1.401 63 2HB GLU 10 1HB GLU 10 -7.081 -13.192 -2.439 64 1HG GLU 10 2HG GLU 10 -5.380 -10.731 -1.937 65 2HG GLU 10 1HG GLU 10 -5.281 -11.746 -3.375 66 H ARG 11 H ARG 11 -5.941 -13.268 1.092 67 HA ARG 11 HA ARG 11 -7.512 -15.645 1.424 68 1HB ARG 11 2HB ARG 11 -5.419 -14.333 3.173 69 2HB ARG 11 1HB ARG 11 -6.140 -15.897 3.541 70 1HG ARG 11 2HG ARG 11 -5.449 -16.550 1.129 71 2HG ARG 11 1HG ARG 11 -4.406 -15.131 1.195 72 1HD ARG 11 2HD ARG 11 -3.694 -16.198 3.526 73 2HD ARG 11 1HD ARG 11 -4.243 -17.683 2.747 74 HE ARG 11 HE ARG 11 -2.028 -15.957 1.742 75 1HH1 ARG 11 1HH1 ARG 11 -3.604 -17.668 -0.259 76 2HH1 ARG 11 2HH1 ARG 11 -2.604 -19.079 -0.336 77 1HH2 ARG 11 1HH2 ARG 11 -0.828 -18.301 2.538 78 2HH2 ARG 11 2HH2 ARG 11 -1.034 -19.438 1.248 79 H GLU 12 H GLU 12 -7.373 -12.590 3.200 80 HA GLU 12 HA GLU 12 -9.150 -13.332 5.310 81 1HB GLU 12 2HB GLU 12 -8.312 -10.704 4.096 82 2HB GLU 12 1HB GLU 12 -9.540 -10.763 5.356 83 1HG GLU 12 2HG GLU 12 -7.837 -12.208 6.666 84 2HG GLU 12 1HG GLU 12 -6.649 -11.599 5.516 85 H ARG 13 H ARG 13 -9.708 -11.879 2.121 86 HA ARG 13 HA ARG 13 -12.544 -11.529 2.494 87 1HB ARG 13 2HB ARG 13 -10.942 -11.847 -0.063 88 2HB ARG 13 1HB ARG 13 -12.608 -11.279 0.029 89 1HG ARG 13 2HG ARG 13 -11.968 -9.308 1.226 90 2HG ARG 13 1HG ARG 13 -10.344 -9.932 1.518 91 1HD ARG 13 2HD ARG 13 -9.633 -9.047 -0.423 92 2HD ARG 13 1HD ARG 13 -10.851 -9.965 -1.307 93 HE ARG 13 HE ARG 13 -11.060 -7.152 -0.507 94 1HH1 ARG 13 1HH1 ARG 13 -13.557 -8.599 0.400 95 2HH1 ARG 13 2HH1 ARG 13 -14.576 -8.437 -0.991 96 1HH2 ARG 13 1HH2 ARG 13 -11.982 -7.562 -3.120 97 2HH2 ARG 13 2HH2 ARG 13 -13.685 -7.850 -2.984 98 H ILE 14 H ILE 14 -10.543 -14.135 1.182 99 HA ILE 14 HA ILE 14 -12.785 -15.763 0.344 100 HB ILE 14 HB ILE 14 -9.960 -16.620 1.042 101 1HG1 ILE 14 2HG1 ILE 14 -10.986 -16.084 -1.733 102 2HG1 ILE 14 1HG1 ILE 14 -10.371 -14.757 -0.752 103 1HG2 ILE 14 2HG2 ILE 14 -12.350 -17.986 0.041 104 2HG2 ILE 14 1HG2 ILE 14 -10.952 -18.199 -1.013 105 3HG2 ILE 14 3HG2 ILE 14 -10.857 -18.669 0.685 106 1HD1 ILE 14 1HD1 ILE 14 -8.608 -17.071 -0.635 107 2HD1 ILE 14 3HD1 ILE 14 -8.843 -16.521 -2.294 108 3HD1 ILE 14 2HD1 ILE 14 -8.232 -15.404 -1.074 109 H PHE 15 H PHE 15 -10.668 -15.746 3.231 110 HA PHE 15 HA PHE 15 -12.007 -17.936 4.517 111 1HB PHE 15 2HB PHE 15 -9.760 -17.163 5.207 112 2HB PHE 15 1HB PHE 15 -10.458 -15.641 5.769 113 HD1 PHE 15 HD1 PHE 15 -10.198 -19.271 6.369 114 HD2 PHE 15 HD2 PHE 15 -11.857 -15.570 7.783 115 HE1 PHE 15 HE1 PHE 15 -10.779 -20.355 8.522 116 HE2 PHE 15 HE2 PHE 15 -12.440 -16.656 9.937 117 HZ PHE 15 HZ PHE 15 -11.903 -19.052 10.306 118 H LYS 16 H LYS 16 -12.534 -14.443 4.493 119 HA LYS 16 HA LYS 16 -14.494 -14.397 6.593 120 1HB LYS 16 2HB LYS 16 -13.802 -12.572 4.303 121 2HB LYS 16 1HB LYS 16 -15.260 -12.274 5.250 122 1HG LYS 16 2HG LYS 16 -13.806 -12.387 7.326 123 2HG LYS 16 1HG LYS 16 -12.405 -12.398 6.254 124 1HD LYS 16 2HD LYS 16 -13.374 -10.271 5.207 125 2HD LYS 16 1HD LYS 16 -14.478 -10.221 6.582 126 1HE LYS 16 2HE LYS 16 -12.805 -9.713 8.082 127 2HE LYS 16 1HE LYS 16 -11.581 -10.603 7.176 128 1HZ LYS 16 3HZ LYS 16 -12.167 -8.682 5.442 129 2HZ LYS 16 2HZ LYS 16 -12.465 -7.851 6.893 130 3HZ LYS 16 1HZ LYS 16 -10.939 -8.540 6.604 131 H ARG 17 H ARG 17 -14.640 -15.158 3.169 132 HA ARG 17 HA ARG 17 -17.520 -15.046 2.949 133 1HB ARG 17 2HB ARG 17 -15.409 -16.485 1.317 134 2HB ARG 17 1HB ARG 17 -17.121 -16.466 0.893 135 1HG ARG 17 2HG ARG 17 -16.033 -13.802 1.490 136 2HG ARG 17 1HG ARG 17 -15.273 -14.575 0.099 137 1HD ARG 17 2HD ARG 17 -17.490 -14.984 -0.895 138 2HD ARG 17 1HD ARG 17 -18.262 -14.239 0.504 139 HE ARG 17 HE ARG 17 -16.325 -12.572 -0.989 140 1HH1 ARG 17 1HH1 ARG 17 -19.054 -12.438 0.844 141 2HH1 ARG 17 2HH1 ARG 17 -19.968 -11.416 -0.214 142 1HH2 ARG 17 1HH2 ARG 17 -17.721 -11.684 -2.842 143 2HH2 ARG 17 2HH2 ARG 17 -19.212 -10.989 -2.301 144 H PHE 18 H PHE 18 -15.186 -17.570 3.773 145 HA PHE 18 HA PHE 18 -17.089 -19.730 3.824 146 1HB PHE 18 2HB PHE 18 -14.384 -19.330 5.104 147 2HB PHE 18 1HB PHE 18 -15.321 -20.805 5.338 148 HD1 PHE 18 HD1 PHE 18 -16.172 -22.013 3.201 149 HD2 PHE 18 HD2 PHE 18 -13.033 -19.080 3.198 150 HE1 PHE 18 HE1 PHE 18 -15.379 -22.864 1.011 151 HE2 PHE 18 HE2 PHE 18 -12.241 -19.930 1.006 152 HZ PHE 18 HZ PHE 18 -13.414 -21.822 -0.087 153 H ASP 19 H ASP 19 -15.739 -17.677 6.409 154 HA ASP 19 HA ASP 19 -17.227 -18.818 8.546 155 1HB ASP 19 2HB ASP 19 -15.314 -17.015 8.557 156 2HB ASP 19 1HB ASP 19 -16.649 -15.866 8.453 157 H ALA 20 H ALA 20 -19.423 -19.130 8.235 158 HA ALA 20 HA ALA 20 -21.095 -17.319 6.765 159 1HB ALA 20 3HB ALA 20 -21.645 -19.612 8.642 160 2HB ALA 20 1HB ALA 20 -21.848 -19.554 6.892 161 3HB ALA 20 2HB ALA 20 -22.954 -18.664 7.939 162 H ASN 21 H ASN 21 -20.862 -17.903 10.320 163 HA ASN 21 HA ASN 21 -22.580 -15.554 10.754 164 1HB ASN 21 2HB ASN 21 -22.492 -16.121 13.108 165 2HB ASN 21 1HB ASN 21 -22.783 -17.592 12.186 166 1HD2 ASN 21 1HD2 ASN 21 -21.559 -17.315 14.870 167 2HD2 ASN 21 2HD2 ASN 21 -20.022 -18.020 14.760 168 H GLY 22 H GLY 22 -19.183 -16.387 10.936 169 1HA GLY 22 1HA GLY 22 -18.588 -13.498 11.215 170 2HA GLY 22 2HA GLY 22 -17.440 -14.736 10.717 171 H ASP 23 H ASP 23 -17.957 -16.557 12.894 172 HA ASP 23 HA ASP 23 -17.293 -14.964 15.306 173 1HB ASP 23 2HB ASP 23 -17.490 -17.101 16.533 174 2HB ASP 23 1HB ASP 23 -18.940 -16.762 15.594 175 H GLY 24 H GLY 24 -15.587 -15.966 12.766 176 1HA GLY 24 1HA GLY 24 -13.110 -16.161 14.364 177 2HA GLY 24 2HA GLY 24 -13.198 -15.875 12.628 178 H LYS 25 H LYS 25 -15.270 -18.409 13.436 179 HA LYS 25 HA LYS 25 -13.169 -20.373 12.641 180 1HB LYS 25 2HB LYS 25 -14.083 -22.005 14.183 181 2HB LYS 25 1HB LYS 25 -13.741 -20.529 15.084 182 1HG LYS 25 2HG LYS 25 -16.032 -19.920 15.160 183 2HG LYS 25 1HG LYS 25 -16.464 -21.073 13.895 184 1HD LYS 25 2HD LYS 25 -15.529 -22.855 15.584 185 2HD LYS 25 1HD LYS 25 -15.804 -21.589 16.783 186 1HE LYS 25 2HE LYS 25 -18.136 -21.546 15.284 187 2HE LYS 25 1HE LYS 25 -17.746 -23.264 15.364 188 1HZ LYS 25 3HZ LYS 25 -17.486 -23.003 17.787 189 2HZ LYS 25 2HZ LYS 25 -18.017 -21.395 17.654 190 3HZ LYS 25 1HZ LYS 25 -19.062 -22.673 17.254 191 H ILE 26 H ILE 26 -13.808 -21.921 11.172 192 HA ILE 26 HA ILE 26 -16.579 -21.626 10.083 193 HB ILE 26 HB ILE 26 -14.308 -22.862 8.554 194 1HG1 ILE 26 2HG1 ILE 26 -14.904 -19.898 8.799 195 2HG1 ILE 26 1HG1 ILE 26 -13.448 -20.708 9.378 196 1HG2 ILE 26 2HG2 ILE 26 -16.716 -22.919 7.776 197 2HG2 ILE 26 1HG2 ILE 26 -16.655 -21.160 7.671 198 3HG2 ILE 26 3HG2 ILE 26 -15.604 -22.142 6.650 199 1HD1 ILE 26 3HD1 ILE 26 -14.033 -21.323 6.581 200 2HD1 ILE 26 2HD1 ILE 26 -13.792 -19.597 6.853 201 3HD1 ILE 26 1HD1 ILE 26 -12.535 -20.746 7.310 202 H SER 27 H SER 27 -17.856 -23.410 10.093 203 HA SER 27 HA SER 27 -16.650 -25.959 11.062 204 1HB SER 27 2HB SER 27 -18.725 -26.484 12.033 205 2HB SER 27 1HB SER 27 -18.620 -24.738 12.274 206 HG SER 27 HG SER 27 -20.038 -24.406 10.676 207 H ALA 28 H ALA 28 -17.797 -27.961 10.130 208 HA ALA 28 HA ALA 28 -17.452 -28.112 7.356 209 1HB ALA 28 3HB ALA 28 -19.560 -29.904 7.995 210 2HB ALA 28 2HB ALA 28 -17.841 -30.275 7.862 211 3HB ALA 28 1HB ALA 28 -18.523 -29.810 9.419 212 H ALA 29 H ALA 29 -20.458 -27.497 9.155 213 HA ALA 29 HA ALA 29 -22.188 -27.291 6.932 214 1HB ALA 29 1HB ALA 29 -23.123 -27.312 9.155 215 2HB ALA 29 3HB ALA 29 -22.229 -25.858 9.598 216 3HB ALA 29 2HB ALA 29 -23.545 -25.762 8.427 217 H GLU 30 H GLU 30 -20.074 -24.858 8.417 218 HA GLU 30 HA GLU 30 -20.956 -22.762 6.607 219 1HB GLU 30 2HB GLU 30 -18.516 -22.961 8.397 220 2HB GLU 30 1HB GLU 30 -19.002 -21.507 7.525 221 1HG GLU 30 2HG GLU 30 -21.175 -21.533 8.722 222 2HG GLU 30 1HG GLU 30 -20.656 -22.963 9.614 223 H LEU 31 H LEU 31 -17.903 -24.614 6.897 224 HA LEU 31 HA LEU 31 -16.758 -23.648 4.484 225 1HB LEU 31 2HB LEU 31 -15.692 -25.035 6.398 226 2HB LEU 31 1HB LEU 31 -16.334 -26.440 5.553 227 HG LEU 31 HG LEU 31 -14.631 -24.361 4.164 228 1HD1 LEU 31 1HD1 LEU 31 -13.560 -25.595 6.207 229 2HD1 LEU 31 3HD1 LEU 31 -13.572 -27.004 5.145 230 3HD1 LEU 31 2HD1 LEU 31 -12.678 -25.555 4.681 231 1HD2 LEU 31 1HD2 LEU 31 -16.065 -26.724 3.370 232 2HD2 LEU 31 3HD2 LEU 31 -15.127 -25.618 2.368 233 3HD2 LEU 31 2HD2 LEU 31 -14.338 -26.992 3.139 234 H GLY 32 H GLY 32 -18.696 -26.562 5.134 235 1HA GLY 32 1HA GLY 32 -19.921 -27.923 3.677 236 2HA GLY 32 2HA GLY 32 -18.714 -27.536 2.454 237 H GLU 33 H GLU 33 -20.926 -25.354 4.184 238 HA GLU 33 HA GLU 33 -22.831 -25.050 2.108 239 1HB GLU 33 2HB GLU 33 -21.971 -23.413 4.455 240 2HB GLU 33 1HB GLU 33 -23.017 -22.662 3.252 241 1HG GLU 33 2HG GLU 33 -23.801 -25.388 4.122 242 2HG GLU 33 1HG GLU 33 -23.967 -24.118 5.333 243 H ALA 34 H ALA 34 -19.812 -23.268 2.731 244 HA ALA 34 HA ALA 34 -20.206 -21.441 0.523 245 1HB ALA 34 2HB ALA 34 -18.659 -20.622 2.067 246 2HB ALA 34 3HB ALA 34 -17.590 -21.267 0.821 247 3HB ALA 34 1HB ALA 34 -17.897 -22.198 2.288 248 H LEU 35 H LEU 35 -18.528 -24.523 0.946 249 HA LEU 35 HA LEU 35 -17.259 -24.624 -1.592 250 1HB LEU 35 2HB LEU 35 -18.144 -26.671 0.410 251 2HB LEU 35 1HB LEU 35 -17.609 -27.209 -1.180 252 HG LEU 35 HG LEU 35 -16.036 -25.502 0.769 253 1HD1 LEU 35 2HD1 LEU 35 -15.983 -28.379 -0.074 254 2HD1 LEU 35 1HD1 LEU 35 -14.464 -27.591 0.351 255 3HD1 LEU 35 3HD1 LEU 35 -15.769 -27.684 1.531 256 1HD2 LEU 35 1HD2 LEU 35 -15.615 -26.225 -2.114 257 2HD2 LEU 35 3HD2 LEU 35 -15.336 -24.686 -1.303 258 3HD2 LEU 35 2HD2 LEU 35 -14.218 -26.028 -1.058 259 H LYS 36 H LYS 36 -20.592 -25.307 -0.634 260 HA LYS 36 HA LYS 36 -21.559 -26.834 -2.720 261 1HB LYS 36 2HB LYS 36 -22.673 -25.056 -0.823 262 2HB LYS 36 1HB LYS 36 -23.313 -24.564 -2.391 263 1HG LYS 36 2HG LYS 36 -24.110 -26.810 -2.838 264 2HG LYS 36 1HG LYS 36 -23.319 -27.424 -1.387 265 1HD LYS 36 2HD LYS 36 -25.111 -25.159 -0.857 266 2HD LYS 36 1HD LYS 36 -25.943 -26.563 -1.526 267 1HE LYS 36 2HE LYS 36 -23.947 -27.002 0.663 268 2HE LYS 36 1HE LYS 36 -25.529 -26.349 1.090 269 1HZ LYS 36 2HZ LYS 36 -25.185 -28.770 -0.584 270 2HZ LYS 36 1HZ LYS 36 -25.340 -28.833 1.107 271 3HZ LYS 36 3HZ LYS 36 -26.605 -28.212 0.164 272 H THR 37 H THR 37 -20.320 -23.572 -2.906 273 HA THR 37 HA THR 37 -21.446 -22.671 -5.315 274 HB THR 37 HB THR 37 -19.809 -21.455 -3.753 275 HG1 THR 37 HG1 THR 37 -19.735 -20.092 -5.331 276 1HG2 THR 37 3HG2 THR 37 -18.050 -23.193 -3.808 277 2HG2 THR 37 2HG2 THR 37 -17.815 -22.891 -5.529 278 3HG2 THR 37 1HG2 THR 37 -17.433 -21.634 -4.353 279 H LEU 38 H LEU 38 -19.131 -25.207 -4.757 280 HA LEU 38 HA LEU 38 -17.988 -25.362 -7.374 281 1HB LEU 38 2HB LEU 38 -18.485 -27.474 -5.262 282 2HB LEU 38 1HB LEU 38 -17.618 -27.802 -6.762 283 HG LEU 38 HG LEU 38 -16.727 -25.415 -5.237 284 1HD1 LEU 38 3HD1 LEU 38 -16.451 -28.251 -4.238 285 2HD1 LEU 38 2HD1 LEU 38 -15.282 -27.001 -3.813 286 3HD1 LEU 38 1HD1 LEU 38 -16.974 -26.824 -3.342 287 1HD2 LEU 38 2HD2 LEU 38 -15.804 -27.005 -7.347 288 2HD2 LEU 38 1HD2 LEU 38 -14.893 -25.746 -6.511 289 3HD2 LEU 38 3HD2 LEU 38 -14.759 -27.426 -5.989 290 H GLY 39 H GLY 39 -21.030 -26.515 -6.038 291 1HA GLY 39 1HA GLY 39 -22.214 -26.770 -8.652 292 2HA GLY 39 2HA GLY 39 -22.951 -27.296 -7.140 293 H SER 40 H SER 40 -20.079 -28.778 -7.009 294 HA SER 40 HA SER 40 -21.201 -31.316 -7.975 295 1HB SER 40 2HB SER 40 -19.215 -29.780 -9.490 296 2HB SER 40 1HB SER 40 -18.686 -31.423 -9.129 297 HG SER 40 HG SER 40 -20.348 -32.233 -10.232 298 H ILE 41 H ILE 41 -20.781 -30.898 -5.398 299 HA ILE 41 HA ILE 41 -18.349 -32.500 -4.827 300 HB ILE 41 HB ILE 41 -17.964 -29.949 -4.507 301 1HG1 ILE 41 2HG1 ILE 41 -17.498 -31.567 -2.011 302 2HG1 ILE 41 1HG1 ILE 41 -16.676 -31.985 -3.515 303 1HG2 ILE 41 3HG2 ILE 41 -20.299 -30.085 -3.101 304 2HG2 ILE 41 2HG2 ILE 41 -19.120 -30.244 -1.798 305 3HG2 ILE 41 1HG2 ILE 41 -19.081 -28.833 -2.858 306 1HD1 ILE 41 3HD1 ILE 41 -16.651 -29.174 -2.402 307 2HD1 ILE 41 2HD1 ILE 41 -15.443 -30.374 -1.936 308 3HD1 ILE 41 1HD1 ILE 41 -15.585 -29.872 -3.621 309 H THR 42 H THR 42 -18.438 -33.125 -2.365 310 HA THR 42 HA THR 42 -21.288 -33.602 -1.598 311 HB THR 42 HB THR 42 -20.968 -35.847 -1.503 312 HG1 THR 42 HG1 THR 42 -18.326 -35.643 -0.588 313 1HG2 THR 42 1HG2 THR 42 -19.820 -35.352 -3.644 314 2HG2 THR 42 3HG2 THR 42 -18.291 -35.216 -2.775 315 3HG2 THR 42 2HG2 THR 42 -19.130 -36.766 -2.847 316 HA PRO 43 HA PRO 43 -20.186 -32.182 2.449 317 1HB PRO 43 2HB PRO 43 -21.400 -33.954 4.093 318 2HB PRO 43 1HB PRO 43 -22.294 -32.741 3.173 319 1HG PRO 43 2HG PRO 43 -21.863 -35.643 2.567 320 2HG PRO 43 1HG PRO 43 -23.341 -34.686 2.427 321 1HD PRO 43 1HD PRO 43 -21.809 -35.275 0.279 322 2HD PRO 43 2HD PRO 43 -22.703 -33.760 0.404 323 H ASP 44 H ASP 44 -19.724 -35.629 1.821 324 HA ASP 44 HA ASP 44 -17.956 -36.154 4.005 325 1HB ASP 44 2HB ASP 44 -18.195 -37.490 1.296 326 2HB ASP 44 1HB ASP 44 -17.254 -38.129 2.643 327 H GLU 45 H GLU 45 -17.430 -34.588 0.906 328 HA GLU 45 HA GLU 45 -14.521 -34.924 1.047 329 1HB GLU 45 2HB GLU 45 -16.327 -33.251 -0.725 330 2HB GLU 45 1HB GLU 45 -14.570 -33.276 -0.875 331 1HG GLU 45 2HG GLU 45 -14.741 -35.802 -1.107 332 2HG GLU 45 1HG GLU 45 -16.487 -35.592 -1.241 333 H VAL 46 H VAL 46 -16.944 -32.478 1.778 334 HA VAL 46 HA VAL 46 -15.090 -30.362 2.386 335 HB VAL 46 HB VAL 46 -17.939 -30.880 3.272 336 1HG1 VAL 46 3HG1 VAL 46 -15.989 -29.011 4.300 337 2HG1 VAL 46 2HG1 VAL 46 -17.291 -28.137 3.496 338 3HG1 VAL 46 1HG1 VAL 46 -17.661 -29.254 4.810 339 1HG2 VAL 46 2HG2 VAL 46 -16.819 -30.038 0.840 340 2HG2 VAL 46 1HG2 VAL 46 -18.513 -29.914 1.317 341 3HG2 VAL 46 3HG2 VAL 46 -17.415 -28.563 1.601 342 H LYS 47 H LYS 47 -16.519 -32.980 4.254 343 HA LYS 47 HA LYS 47 -15.619 -32.093 6.835 344 1HB LYS 47 2HB LYS 47 -16.318 -34.827 5.741 345 2HB LYS 47 1HB LYS 47 -15.847 -34.572 7.421 346 1HG LYS 47 2HG LYS 47 -17.691 -32.882 7.620 347 2HG LYS 47 1HG LYS 47 -18.207 -33.317 5.990 348 1HD LYS 47 2HD LYS 47 -18.457 -35.686 6.750 349 2HD LYS 47 1HD LYS 47 -18.062 -35.168 8.389 350 1HE LYS 47 2HE LYS 47 -20.237 -33.702 6.956 351 2HE LYS 47 1HE LYS 47 -20.595 -35.325 7.547 352 1HZ LYS 47 1HZ LYS 47 -19.250 -33.426 9.335 353 2HZ LYS 47 3HZ LYS 47 -20.919 -33.259 9.076 354 3HZ LYS 47 2HZ LYS 47 -20.300 -34.708 9.711 355 H HIS 48 H HIS 48 -14.158 -34.118 4.327 356 HA HIS 48 HA HIS 48 -11.837 -34.847 5.866 357 1HB HIS 48 2HB HIS 48 -12.515 -36.050 3.811 358 2HB HIS 48 1HB HIS 48 -12.147 -34.614 2.857 359 HD1 HIS 48 HD1 HIS 48 -10.132 -35.542 1.586 360 HD2 HIS 48 HD2 HIS 48 -9.747 -35.917 5.719 361 HE1 HIS 48 HE1 HIS 48 -7.741 -36.257 2.021 362 H MET 49 H MET 49 -12.598 -32.108 3.738 363 HA MET 49 HA MET 49 -9.968 -31.018 3.601 364 1HB MET 49 2HB MET 49 -12.741 -29.933 3.290 365 2HB MET 49 1HB MET 49 -11.405 -28.794 3.439 366 1HG MET 49 2HG MET 49 -10.321 -30.467 1.636 367 2HG MET 49 1HG MET 49 -12.023 -30.718 1.250 368 1HE MET 49 1HE MET 49 -11.852 -30.019 -0.958 369 2HE MET 49 3HE MET 49 -13.291 -29.140 -0.422 370 3HE MET 49 2HE MET 49 -12.113 -28.353 -1.470 371 H MET 50 H MET 50 -12.633 -30.449 5.880 372 HA MET 50 HA MET 50 -11.258 -28.556 7.510 373 1HB MET 50 2HB MET 50 -13.552 -30.449 7.980 374 2HB MET 50 1HB MET 50 -12.909 -29.469 9.294 375 1HG MET 50 2HG MET 50 -13.167 -27.469 7.687 376 2HG MET 50 1HG MET 50 -14.179 -28.542 6.719 377 1HE MET 50 2HE MET 50 -13.323 -26.971 9.866 378 2HE MET 50 1HE MET 50 -14.819 -26.632 10.733 379 3HE MET 50 3HE MET 50 -14.035 -28.209 10.897 380 H ALA 51 H ALA 51 -11.614 -32.087 7.821 381 HA ALA 51 HA ALA 51 -10.052 -32.384 10.178 382 1HB ALA 51 1HB ALA 51 -11.437 -34.104 8.579 383 2HB ALA 51 3HB ALA 51 -9.780 -34.516 8.138 384 3HB ALA 51 2HB ALA 51 -10.298 -34.628 9.820 385 H GLU 52 H GLU 52 -9.149 -31.578 6.959 386 HA GLU 52 HA GLU 52 -6.308 -32.306 7.457 387 1HB GLU 52 2HB GLU 52 -7.894 -31.544 5.018 388 2HB GLU 52 1HB GLU 52 -6.140 -31.362 5.014 389 1HG GLU 52 2HG GLU 52 -6.150 -33.817 5.938 390 2HG GLU 52 1HG GLU 52 -7.780 -33.870 5.267 391 H ILE 53 H ILE 53 -8.417 -29.533 6.907 392 HA ILE 53 HA ILE 53 -6.204 -27.620 7.016 393 HB ILE 53 HB ILE 53 -9.206 -27.227 7.112 394 1HG1 ILE 53 2HG1 ILE 53 -7.234 -26.912 4.835 395 2HG1 ILE 53 1HG1 ILE 53 -8.329 -28.278 5.032 396 1HG2 ILE 53 1HG2 ILE 53 -7.672 -25.399 8.069 397 2HG2 ILE 53 3HG2 ILE 53 -7.099 -25.180 6.416 398 3HG2 ILE 53 2HG2 ILE 53 -8.799 -24.911 6.803 399 1HD1 ILE 53 3HD1 ILE 53 -9.462 -25.506 5.083 400 2HD1 ILE 53 2HD1 ILE 53 -9.028 -26.218 3.528 401 3HD1 ILE 53 1HD1 ILE 53 -10.215 -27.014 4.563 402 H ASP 54 H ASP 54 -8.627 -28.932 9.208 403 HA ASP 54 HA ASP 54 -8.397 -27.064 11.326 404 1HB ASP 54 2HB ASP 54 -9.991 -29.117 10.950 405 2HB ASP 54 1HB ASP 54 -8.740 -30.012 11.801 406 H THR 55 H THR 55 -6.314 -26.470 11.892 407 HA THR 55 HA THR 55 -4.096 -28.295 12.005 408 HB THR 55 HB THR 55 -2.937 -26.429 13.174 409 HG1 THR 55 HG1 THR 55 -4.218 -25.214 14.294 410 1HG2 THR 55 3HG2 THR 55 -4.634 -25.618 10.797 411 2HG2 THR 55 2HG2 THR 55 -3.168 -24.794 11.332 412 3HG2 THR 55 1HG2 THR 55 -3.078 -26.447 10.722 413 H ASP 56 H ASP 56 -6.125 -26.875 14.575 414 HA ASP 56 HA ASP 56 -4.778 -28.565 16.577 415 1HB ASP 56 2HB ASP 56 -5.952 -27.336 18.215 416 2HB ASP 56 1HB ASP 56 -5.635 -26.149 16.952 417 H GLY 57 H GLY 57 -7.917 -28.342 14.978 418 1HA GLY 57 1HA GLY 57 -8.426 -31.150 15.828 419 2HA GLY 57 2HA GLY 57 -9.172 -30.363 14.442 420 H ASP 58 H ASP 58 -9.762 -27.893 16.090 421 HA ASP 58 HA ASP 58 -11.567 -28.847 18.187 422 1HB ASP 58 2HB ASP 58 -12.122 -26.534 18.547 423 2HB ASP 58 1HB ASP 58 -10.387 -26.604 18.256 424 H GLY 59 H GLY 59 -11.733 -28.879 14.881 425 1HA GLY 59 1HA GLY 59 -14.697 -29.026 14.988 426 2HA GLY 59 2HA GLY 59 -13.682 -29.728 13.729 427 H PHE 60 H PHE 60 -12.492 -26.685 14.371 428 HA PHE 60 HA PHE 60 -14.001 -25.593 12.049 429 1HB PHE 60 2HB PHE 60 -13.318 -23.935 14.478 430 2HB PHE 60 1HB PHE 60 -14.346 -23.488 13.116 431 HD1 PHE 60 HD1 PHE 60 -16.580 -24.471 12.840 432 HD2 PHE 60 HD2 PHE 60 -14.119 -25.413 16.229 433 HE1 PHE 60 HE1 PHE 60 -18.547 -25.421 14.005 434 HE2 PHE 60 HE2 PHE 60 -16.087 -26.360 17.396 435 HZ PHE 60 HZ PHE 60 -18.305 -26.367 16.286 436 H ILE 61 H ILE 61 -12.921 -23.865 10.915 437 HA ILE 61 HA ILE 61 -9.966 -23.967 11.232 438 HB ILE 61 HB ILE 61 -11.525 -23.120 8.784 439 1HG1 ILE 61 2HG1 ILE 61 -12.089 -25.454 9.351 440 2HG1 ILE 61 1HG1 ILE 61 -11.078 -25.387 7.908 441 1HG2 ILE 61 2HG2 ILE 61 -9.088 -22.447 9.110 442 2HG2 ILE 61 1HG2 ILE 61 -8.695 -24.164 9.033 443 3HG2 ILE 61 3HG2 ILE 61 -9.432 -23.364 7.645 444 1HD1 ILE 61 3HD1 ILE 61 -9.076 -25.810 9.357 445 2HD1 ILE 61 2HD1 ILE 61 -10.163 -26.014 10.732 446 3HD1 ILE 61 1HD1 ILE 61 -10.236 -27.141 9.375 447 H SER 62 H SER 62 -8.975 -22.052 11.776 448 HA SER 62 HA SER 62 -10.673 -19.625 11.933 449 1HB SER 62 2HB SER 62 -7.878 -20.057 13.032 450 2HB SER 62 1HB SER 62 -8.983 -18.741 13.431 451 HG SER 62 HG SER 62 -8.852 -21.258 14.429 452 H PHE 63 H PHE 63 -9.462 -17.535 11.319 453 HA PHE 63 HA PHE 63 -8.727 -17.623 8.591 454 1HB PHE 63 2HB PHE 63 -9.375 -15.526 9.755 455 2HB PHE 63 1HB PHE 63 -7.845 -15.562 10.637 456 HD1 PHE 63 HD1 PHE 63 -8.891 -16.166 7.088 457 HD2 PHE 63 HD2 PHE 63 -6.269 -14.077 9.769 458 HE1 PHE 63 HE1 PHE 63 -7.751 -15.117 5.155 459 HE2 PHE 63 HE2 PHE 63 -5.127 -13.027 7.835 460 HZ PHE 63 HZ PHE 63 -5.873 -13.547 5.525 461 H GLN 64 H GLN 64 -6.705 -17.627 11.503 462 HA GLN 64 HA GLN 64 -4.178 -17.596 10.200 463 1HB GLN 64 2HB GLN 64 -4.613 -17.298 12.671 464 2HB GLN 64 1HB GLN 64 -4.874 -19.038 12.774 465 1HG GLN 64 2HG GLN 64 -2.570 -18.637 13.360 466 2HG GLN 64 1HG GLN 64 -2.575 -19.339 11.743 467 1HE2 GLN 64 1HE2 GLN 64 -1.393 -18.188 10.206 468 2HE2 GLN 64 2HE2 GLN 64 -0.965 -16.550 10.333 469 H GLU 65 H GLU 65 -6.228 -20.339 11.238 470 HA GLU 65 HA GLU 65 -4.479 -22.404 10.338 471 1HB GLU 65 2HB GLU 65 -7.453 -22.244 10.793 472 2HB GLU 65 1HB GLU 65 -6.713 -23.708 10.163 473 1HG GLU 65 2HG GLU 65 -5.222 -23.809 12.127 474 2HG GLU 65 1HG GLU 65 -5.953 -22.334 12.758 475 H PHE 66 H PHE 66 -7.208 -20.773 8.741 476 HA PHE 66 HA PHE 66 -7.063 -22.199 6.278 477 1HB PHE 66 2HB PHE 66 -8.939 -20.678 6.997 478 2HB PHE 66 1HB PHE 66 -7.888 -19.306 6.649 479 HD1 PHE 66 HD1 PHE 66 -7.164 -18.825 4.336 480 HD2 PHE 66 HD2 PHE 66 -9.901 -22.015 5.223 481 HE1 PHE 66 HE1 PHE 66 -7.788 -18.955 1.939 482 HE2 PHE 66 HE2 PHE 66 -10.525 -22.146 2.826 483 HZ PHE 66 HZ PHE 66 -9.468 -20.616 1.184 484 H THR 67 H THR 67 -5.431 -19.260 7.392 485 HA THR 67 HA THR 67 -4.131 -18.651 4.911 486 HB THR 67 HB THR 67 -3.419 -18.015 7.786 487 HG1 THR 67 HG1 THR 67 -4.856 -16.832 5.722 488 1HG2 THR 67 1HG2 THR 67 -1.380 -18.051 6.382 489 2HG2 THR 67 3HG2 THR 67 -2.158 -16.954 5.240 490 3HG2 THR 67 2HG2 THR 67 -1.794 -16.411 6.878 491 H ASP 68 H ASP 68 -3.039 -20.477 7.780 492 HA ASP 68 HA ASP 68 -0.458 -21.146 6.810 493 1HB ASP 68 2HB ASP 68 -2.308 -22.723 8.622 494 2HB ASP 68 1HB ASP 68 -0.595 -23.075 8.389 495 H PHE 69 H PHE 69 -3.598 -22.703 6.295 496 HA PHE 69 HA PHE 69 -2.447 -24.904 4.772 497 1HB PHE 69 2HB PHE 69 -4.443 -25.622 5.653 498 2HB PHE 69 1HB PHE 69 -5.148 -24.009 5.634 499 HD1 PHE 69 HD1 PHE 69 -5.796 -23.017 3.364 500 HD2 PHE 69 HD2 PHE 69 -4.998 -27.187 3.983 501 HE1 PHE 69 HE1 PHE 69 -7.023 -23.561 1.275 502 HE2 PHE 69 HE2 PHE 69 -6.219 -27.734 1.898 503 HZ PHE 69 HZ PHE 69 -7.236 -25.923 0.542 504 H GLY 70 H GLY 70 -3.932 -21.778 4.073 505 1HA GLY 70 1HA GLY 70 -3.978 -20.529 2.086 506 2HA GLY 70 2HA GLY 70 -4.263 -22.067 1.269 507 H ARG 71 H ARG 71 -1.403 -21.485 3.214 508 HA ARG 71 HA ARG 71 0.309 -20.693 1.013 509 1HB ARG 71 2HB ARG 71 1.004 -21.889 3.714 510 2HB ARG 71 1HB ARG 71 2.155 -21.146 2.603 511 1HG ARG 71 2HG ARG 71 0.917 -19.016 2.745 512 2HG ARG 71 1HG ARG 71 -0.238 -19.757 3.851 513 1HD ARG 71 2HD ARG 71 2.737 -19.422 4.345 514 2HD ARG 71 1HD ARG 71 1.450 -18.493 5.113 515 HE ARG 71 HE ARG 71 0.964 -21.266 5.577 516 1HH1 ARG 71 1HH1 ARG 71 3.896 -21.273 6.071 517 2HH1 ARG 71 2HH1 ARG 71 3.997 -20.814 7.738 518 1HH2 ARG 71 1HH2 ARG 71 0.763 -19.572 7.869 519 2HH2 ARG 71 2HH2 ARG 71 2.224 -19.850 8.756 520 H ALA 72 H ALA 72 -0.710 -23.745 2.396 521 HA ALA 72 HA ALA 72 1.312 -25.370 1.119 522 1HB ALA 72 3HB ALA 72 0.371 -26.864 2.518 523 2HB ALA 72 1HB ALA 72 -1.045 -26.904 1.468 524 3HB ALA 72 2HB ALA 72 -0.982 -25.774 2.820 525 H ASN 73 H ASN 73 -1.604 -23.853 0.039 526 HA ASN 73 HA ASN 73 -1.134 -24.907 -2.675 527 1HB ASN 73 2HB ASN 73 -3.942 -25.100 -1.629 528 2HB ASN 73 1HB ASN 73 -3.187 -25.976 -2.961 529 1HD2 ASN 73 1HD2 ASN 73 -4.132 -26.266 0.287 530 2HD2 ASN 73 2HD2 ASN 73 -3.206 -27.628 0.693 531 H ARG 74 H ARG 74 -0.632 -22.376 -2.070 532 HA ARG 74 HA ARG 74 -2.650 -20.453 -1.935 533 1HB ARG 74 2HB ARG 74 -1.117 -18.932 -3.110 534 2HB ARG 74 1HB ARG 74 -0.220 -19.919 -1.954 535 1HG ARG 74 2HG ARG 74 0.239 -21.525 -3.883 536 2HG ARG 74 1HG ARG 74 -0.389 -20.273 -4.954 537 1HD ARG 74 2HD ARG 74 1.970 -19.927 -4.902 538 2HD ARG 74 1HD ARG 74 1.296 -18.692 -3.838 539 HE ARG 74 HE ARG 74 2.035 -21.154 -2.444 540 1HH1 ARG 74 1HH1 ARG 74 3.307 -18.328 -3.926 541 2HH1 ARG 74 2HH1 ARG 74 4.499 -18.053 -2.700 542 1HH2 ARG 74 1HH2 ARG 74 3.462 -20.706 -0.723 543 2HH2 ARG 74 2HH2 ARG 74 4.586 -19.399 -0.886 544 H GLY 75 H GLY 75 -1.515 -22.281 -4.729 545 1HA GLY 75 1HA GLY 75 -2.503 -22.642 -6.808 546 2HA GLY 75 2HA GLY 75 -2.986 -20.947 -6.750 547 H LEU 76 H LEU 76 -3.969 -23.282 -4.326 548 HA LEU 76 HA LEU 76 -6.519 -23.939 -5.506 549 1HB LEU 76 2HB LEU 76 -5.395 -24.148 -2.713 550 2HB LEU 76 1HB LEU 76 -7.067 -24.585 -3.067 551 HG LEU 76 HG LEU 76 -4.617 -25.755 -4.422 552 1HD1 LEU 76 1HD1 LEU 76 -5.772 -26.340 -1.916 553 2HD1 LEU 76 3HD1 LEU 76 -6.327 -27.612 -3.006 554 3HD1 LEU 76 2HD1 LEU 76 -4.600 -27.319 -2.799 555 1HD2 LEU 76 2HD2 LEU 76 -7.381 -25.635 -5.192 556 2HD2 LEU 76 1HD2 LEU 76 -6.048 -26.444 -6.017 557 3HD2 LEU 76 3HD2 LEU 76 -6.977 -27.303 -4.789 558 H LEU 77 H LEU 77 -5.520 -21.605 -3.018 559 HA LEU 77 HA LEU 77 -8.131 -20.558 -2.513 560 1HB LEU 77 2HB LEU 77 -5.404 -19.264 -2.239 561 2HB LEU 77 1HB LEU 77 -6.899 -18.582 -1.599 562 HG LEU 77 HG LEU 77 -5.577 -21.194 -0.822 563 1HD1 LEU 77 3HD1 LEU 77 -6.129 -18.551 0.500 564 2HD1 LEU 77 2HD1 LEU 77 -6.003 -20.010 1.483 565 3HD1 LEU 77 1HD1 LEU 77 -4.641 -19.497 0.488 566 1HD2 LEU 77 3HD2 LEU 77 -8.360 -20.148 -0.250 567 2HD2 LEU 77 2HD2 LEU 77 -7.916 -21.696 -0.967 568 3HD2 LEU 77 1HD2 LEU 77 -7.586 -21.387 0.737 569 H LYS 78 H LYS 78 -5.896 -20.049 -5.134 570 HA LYS 78 HA LYS 78 -7.114 -17.535 -5.996 571 1HB LYS 78 2HB LYS 78 -5.194 -19.448 -7.353 572 2HB LYS 78 1HB LYS 78 -5.723 -17.920 -8.058 573 1HG LYS 78 2HG LYS 78 -4.920 -16.838 -5.859 574 2HG LYS 78 1HG LYS 78 -4.089 -18.364 -5.556 575 1HD LYS 78 2HD LYS 78 -3.745 -16.709 -8.073 576 2HD LYS 78 1HD LYS 78 -2.645 -16.657 -6.696 577 1HE LYS 78 2HE LYS 78 -1.821 -18.782 -7.100 578 2HE LYS 78 1HE LYS 78 -3.315 -19.329 -7.863 579 1HZ LYS 78 3HZ LYS 78 -2.652 -17.529 -9.616 580 2HZ LYS 78 2HZ LYS 78 -1.090 -17.802 -9.006 581 3HZ LYS 78 1HZ LYS 78 -1.980 -19.085 -9.677 582 H ASP 79 H ASP 79 -7.790 -20.891 -6.360 583 HA ASP 79 HA ASP 79 -9.300 -20.585 -8.857 584 1HB ASP 79 2HB ASP 79 -8.582 -22.798 -7.016 585 2HB ASP 79 1HB ASP 79 -10.113 -22.978 -7.874 586 H VAL 80 H VAL 80 -9.949 -20.687 -5.400 587 HA VAL 80 HA VAL 80 -12.863 -20.687 -5.815 588 HB VAL 80 HB VAL 80 -11.322 -20.208 -3.249 589 1HG1 VAL 80 1HG1 VAL 80 -13.984 -19.883 -3.765 590 2HG1 VAL 80 3HG1 VAL 80 -13.941 -21.579 -3.283 591 3HG1 VAL 80 2HG1 VAL 80 -13.335 -20.335 -2.189 592 1HG2 VAL 80 2HG2 VAL 80 -12.277 -22.793 -4.517 593 2HG2 VAL 80 1HG2 VAL 80 -10.605 -22.335 -4.196 594 3HG2 VAL 80 3HG2 VAL 80 -11.705 -22.652 -2.854 595 H ALA 81 H ALA 81 -10.276 -18.409 -5.237 596 HA ALA 81 HA ALA 81 -11.850 -16.195 -4.339 597 1HB ALA 81 2HB ALA 81 -9.825 -15.215 -4.262 598 2HB ALA 81 3HB ALA 81 -9.664 -15.328 -6.014 599 3HB ALA 81 1HB ALA 81 -9.140 -16.667 -4.993 600 H LYS 82 H LYS 82 -11.664 -17.745 -7.394 601 HA LYS 82 HA LYS 82 -12.651 -15.351 -8.839 602 1HB LYS 82 2HB LYS 82 -12.138 -18.151 -9.884 603 2HB LYS 82 1HB LYS 82 -12.419 -16.703 -10.851 604 1HG LYS 82 2HG LYS 82 -10.372 -15.700 -9.703 605 2HG LYS 82 1HG LYS 82 -10.042 -17.317 -9.080 606 1HD LYS 82 2HD LYS 82 -9.962 -18.201 -11.373 607 2HD LYS 82 1HD LYS 82 -10.340 -16.602 -12.014 608 1HE LYS 82 2HE LYS 82 -8.172 -16.000 -11.905 609 2HE LYS 82 1HE LYS 82 -8.110 -16.415 -10.192 610 1HZ LYS 82 2HZ LYS 82 -7.802 -18.749 -10.844 611 2HZ LYS 82 1HZ LYS 82 -7.747 -18.277 -12.476 612 3HZ LYS 82 3HZ LYS 82 -6.545 -17.751 -11.401 613 H ILE 83 H ILE 83 -13.736 -18.483 -7.656 614 HA ILE 83 HA ILE 83 -16.219 -18.647 -9.015 615 HB ILE 83 HB ILE 83 -15.521 -19.545 -6.204 616 1HG1 ILE 83 2HG1 ILE 83 -15.301 -20.834 -8.929 617 2HG1 ILE 83 1HG1 ILE 83 -14.030 -20.608 -7.729 618 1HG2 ILE 83 1HG2 ILE 83 -18.011 -19.340 -6.945 619 2HG2 ILE 83 3HG2 ILE 83 -17.652 -20.725 -7.976 620 3HG2 ILE 83 2HG2 ILE 83 -17.472 -20.858 -6.227 621 1HD1 ILE 83 2HD1 ILE 83 -15.217 -22.164 -6.202 622 2HD1 ILE 83 1HD1 ILE 83 -16.451 -22.415 -7.438 623 3HD1 ILE 83 3HD1 ILE 83 -14.794 -22.944 -7.727 624 H PHE 84 H PHE 84 -15.275 -16.865 -6.121 625 HA PHE 84 HA PHE 84 -18.043 -15.852 -5.802 626 1HB PHE 84 2HB PHE 84 -15.542 -15.415 -4.142 627 2HB PHE 84 1HB PHE 84 -17.139 -14.781 -3.745 628 HD1 PHE 84 HD1 PHE 84 -15.096 -17.843 -4.086 629 HD2 PHE 84 HD2 PHE 84 -18.907 -16.228 -2.934 630 HE1 PHE 84 HE1 PHE 84 -15.688 -20.000 -3.013 631 HE2 PHE 84 HE2 PHE 84 -19.498 -18.385 -1.862 632 HZ PHE 84 HZ PHE 84 -17.888 -20.272 -1.902 No H/Q in entry = 632 Start of MODEL 4 1 H1 ALA 1 1H ALA 1 9.814 -17.571 -1.151 2 H2 ALA 1 3H ALA 1 8.358 -18.435 -1.043 3 H3 ALA 1 2H ALA 1 9.596 -18.982 -2.072 4 HA ALA 1 HA ALA 1 9.215 -17.384 -3.650 5 1HB ALA 1 2HB ALA 1 6.414 -17.260 -2.719 6 2HB ALA 1 3HB ALA 1 7.084 -18.888 -2.821 7 3HB ALA 1 1HB ALA 1 7.066 -17.850 -4.247 8 H ASP 2 H ASP 2 6.884 -15.557 -3.557 9 HA ASP 2 HA ASP 2 8.093 -13.443 -1.818 10 1HB ASP 2 2HB ASP 2 8.288 -12.992 -4.251 11 2HB ASP 2 1HB ASP 2 6.535 -13.109 -4.400 12 H ASP 3 H ASP 3 6.694 -14.136 -0.047 13 HA ASP 3 HA ASP 3 3.780 -13.889 -0.457 14 1HB ASP 3 2HB ASP 3 4.822 -15.666 1.019 15 2HB ASP 3 1HB ASP 3 5.274 -14.376 2.134 16 H HIS 4 H HIS 4 2.804 -11.936 -0.253 17 HA HIS 4 HA HIS 4 4.121 -9.897 1.500 18 1HB HIS 4 2HB HIS 4 2.380 -8.525 -0.211 19 2HB HIS 4 1HB HIS 4 4.135 -8.575 -0.332 20 HD1 HIS 4 HD1 HIS 4 1.027 -10.196 -1.728 21 HD2 HIS 4 HD2 HIS 4 5.135 -10.165 -2.440 22 HE1 HIS 4 HE1 HIS 4 1.383 -11.399 -3.929 23 HA PRO 5 HA PRO 5 0.390 -9.434 3.841 24 1HB PRO 5 2HB PRO 5 -0.058 -6.767 3.890 25 2HB PRO 5 1HB PRO 5 1.248 -7.536 4.798 26 1HG PRO 5 2HG PRO 5 1.349 -6.110 2.163 27 2HG PRO 5 1HG PRO 5 2.460 -5.994 3.532 28 1HD PRO 5 1HD PRO 5 3.030 -7.488 1.358 29 2HD PRO 5 2HD PRO 5 3.555 -7.958 2.976 30 H GLN 6 H GLN 6 0.470 -8.019 0.651 31 HA GLN 6 HA GLN 6 -2.271 -7.286 0.392 32 1HB GLN 6 2HB GLN 6 -0.062 -8.001 -1.499 33 2HB GLN 6 1HB GLN 6 -1.710 -7.933 -2.123 34 1HG GLN 6 2HG GLN 6 -1.954 -5.648 -1.554 35 2HG GLN 6 1HG GLN 6 -0.572 -5.688 -0.458 36 1HE2 GLN 6 1HE2 GLN 6 1.611 -6.210 -1.612 37 2HE2 GLN 6 2HE2 GLN 6 1.840 -5.534 -3.151 38 H ASP 7 H ASP 7 -0.578 -10.359 -0.088 39 HA ASP 7 HA ASP 7 -2.713 -11.835 -1.231 40 1HB ASP 7 2HB ASP 7 -0.497 -12.721 0.635 41 2HB ASP 7 1HB ASP 7 -1.580 -13.835 -0.198 42 H LYS 8 H LYS 8 -1.865 -11.330 2.186 43 HA LYS 8 HA LYS 8 -3.812 -12.903 3.418 44 1HB LYS 8 2HB LYS 8 -2.585 -10.256 4.150 45 2HB LYS 8 1HB LYS 8 -3.833 -10.970 5.171 46 1HG LYS 8 2HG LYS 8 -2.453 -13.096 5.182 47 2HG LYS 8 1HG LYS 8 -1.163 -12.176 4.410 48 1HD LYS 8 2HD LYS 8 -0.606 -11.941 6.666 49 2HD LYS 8 1HD LYS 8 -1.572 -10.490 6.392 50 1HE LYS 8 2HE LYS 8 -3.589 -11.783 7.183 51 2HE LYS 8 1HE LYS 8 -2.500 -13.098 7.628 52 1HZ LYS 8 3HZ LYS 8 -2.046 -10.346 8.597 53 2HZ LYS 8 2HZ LYS 8 -3.110 -11.395 9.407 54 3HZ LYS 8 1HZ LYS 8 -1.470 -11.806 9.240 55 H ALA 9 H ALA 9 -4.183 -9.732 1.911 56 HA ALA 9 HA ALA 9 -6.824 -9.172 2.798 57 1HB ALA 9 2HB ALA 9 -4.993 -8.107 0.863 58 2HB ALA 9 3HB ALA 9 -6.412 -7.330 1.566 59 3HB ALA 9 1HB ALA 9 -6.571 -8.294 0.097 60 H GLU 10 H GLU 10 -5.663 -10.941 -0.052 61 HA GLU 10 HA GLU 10 -8.298 -11.600 -1.017 62 1HB GLU 10 2HB GLU 10 -5.728 -13.139 -1.482 63 2HB GLU 10 1HB GLU 10 -7.173 -13.158 -2.494 64 1HG GLU 10 2HG GLU 10 -6.850 -10.675 -2.843 65 2HG GLU 10 1HG GLU 10 -5.295 -10.827 -2.024 66 H ARG 11 H ARG 11 -5.972 -13.252 1.082 67 HA ARG 11 HA ARG 11 -7.516 -15.665 1.375 68 1HB ARG 11 2HB ARG 11 -5.350 -14.382 3.050 69 2HB ARG 11 1HB ARG 11 -6.091 -15.924 3.480 70 1HG ARG 11 2HG ARG 11 -5.488 -16.734 1.154 71 2HG ARG 11 1HG ARG 11 -4.545 -15.260 0.960 72 1HD ARG 11 2HD ARG 11 -4.145 -17.415 3.056 73 2HD ARG 11 1HD ARG 11 -3.060 -17.025 1.720 74 HE ARG 11 HE ARG 11 -3.575 -14.760 3.475 75 1HH1 ARG 11 1HH1 ARG 11 -1.252 -16.680 2.044 76 2HH1 ARG 11 2HH1 ARG 11 -0.084 -16.537 3.315 77 1HH2 ARG 11 1HH2 ARG 11 -2.262 -14.951 5.498 78 2HH2 ARG 11 2HH2 ARG 11 -0.655 -15.558 5.270 79 H GLU 12 H GLU 12 -7.338 -12.639 3.198 80 HA GLU 12 HA GLU 12 -9.097 -13.455 5.316 81 1HB GLU 12 2HB GLU 12 -8.113 -10.826 4.256 82 2HB GLU 12 1HB GLU 12 -9.439 -10.843 5.415 83 1HG GLU 12 2HG GLU 12 -7.962 -12.358 6.859 84 2HG GLU 12 1HG GLU 12 -6.638 -11.922 5.779 85 H ARG 13 H ARG 13 -9.645 -11.799 2.221 86 HA ARG 13 HA ARG 13 -12.454 -11.370 2.621 87 1HB ARG 13 2HB ARG 13 -10.824 -11.652 0.080 88 2HB ARG 13 1HB ARG 13 -12.512 -11.141 0.121 89 1HG ARG 13 2HG ARG 13 -11.934 -9.213 1.499 90 2HG ARG 13 1HG ARG 13 -10.258 -9.747 1.595 91 1HD ARG 13 2HD ARG 13 -9.958 -8.380 -0.202 92 2HD ARG 13 1HD ARG 13 -10.651 -9.720 -1.114 93 HE ARG 13 HE ARG 13 -12.892 -8.364 -0.387 94 1HH1 ARG 13 1HH1 ARG 13 -9.948 -7.602 -1.989 95 2HH1 ARG 13 2HH1 ARG 13 -10.543 -6.128 -2.676 96 1HH2 ARG 13 1HH2 ARG 13 -13.638 -6.346 -1.127 97 2HH2 ARG 13 2HH2 ARG 13 -12.633 -5.416 -2.187 98 H ILE 14 H ILE 14 -10.602 -14.022 1.167 99 HA ILE 14 HA ILE 14 -12.934 -15.526 0.355 100 HB ILE 14 HB ILE 14 -10.133 -16.526 0.954 101 1HG1 ILE 14 2HG1 ILE 14 -11.212 -15.882 -1.778 102 2HG1 ILE 14 1HG1 ILE 14 -10.518 -14.603 -0.785 103 1HG2 ILE 14 1HG2 ILE 14 -12.439 -17.965 0.460 104 2HG2 ILE 14 3HG2 ILE 14 -11.742 -17.799 -1.151 105 3HG2 ILE 14 2HG2 ILE 14 -10.802 -18.539 0.144 106 1HD1 ILE 14 1HD1 ILE 14 -8.847 -16.989 -0.769 107 2HD1 ILE 14 3HD1 ILE 14 -9.105 -16.392 -2.409 108 3HD1 ILE 14 2HD1 ILE 14 -8.417 -15.328 -1.182 109 H PHE 15 H PHE 15 -10.737 -15.716 3.170 110 HA PHE 15 HA PHE 15 -12.168 -17.860 4.441 111 1HB PHE 15 2HB PHE 15 -9.848 -17.223 5.061 112 2HB PHE 15 1HB PHE 15 -10.454 -15.700 5.717 113 HD1 PHE 15 HD1 PHE 15 -11.930 -15.699 7.720 114 HD2 PHE 15 HD2 PHE 15 -10.182 -19.321 6.210 115 HE1 PHE 15 HE1 PHE 15 -12.482 -16.854 9.846 116 HE2 PHE 15 HE2 PHE 15 -10.731 -20.474 8.336 117 HZ PHE 15 HZ PHE 15 -11.885 -19.243 10.154 118 H LYS 16 H LYS 16 -12.479 -14.349 4.498 119 HA LYS 16 HA LYS 16 -14.340 -14.195 6.674 120 1HB LYS 16 2HB LYS 16 -13.621 -12.410 4.368 121 2HB LYS 16 1HB LYS 16 -15.034 -12.028 5.350 122 1HG LYS 16 2HG LYS 16 -13.587 -12.152 7.389 123 2HG LYS 16 1HG LYS 16 -12.190 -12.384 6.338 124 1HD LYS 16 2HD LYS 16 -12.765 -10.218 5.204 125 2HD LYS 16 1HD LYS 16 -14.032 -9.976 6.407 126 1HE LYS 16 2HE LYS 16 -11.062 -10.261 6.959 127 2HE LYS 16 1HE LYS 16 -12.013 -8.782 7.098 128 1HZ LYS 16 2HZ LYS 16 -13.443 -10.169 8.695 129 2HZ LYS 16 1HZ LYS 16 -12.095 -11.200 8.781 130 3HZ LYS 16 3HZ LYS 16 -11.951 -9.577 9.251 131 H ARG 17 H ARG 17 -14.721 -14.802 3.218 132 HA ARG 17 HA ARG 17 -17.620 -14.608 3.287 133 1HB ARG 17 2HB ARG 17 -17.566 -15.247 1.019 134 2HB ARG 17 1HB ARG 17 -16.054 -14.374 1.240 135 1HG ARG 17 2HG ARG 17 -14.946 -16.188 0.509 136 2HG ARG 17 1HG ARG 17 -15.524 -17.078 1.909 137 1HD ARG 17 2HD ARG 17 -17.357 -16.705 -0.432 138 2HD ARG 17 1HD ARG 17 -16.088 -17.925 -0.526 139 HE ARG 17 HE ARG 17 -17.119 -18.736 1.729 140 1HH1 ARG 17 1HH1 ARG 17 -18.474 -19.913 -0.605 141 2HH1 ARG 17 2HH1 ARG 17 -20.132 -19.477 -0.358 142 1HH2 ARG 17 1HH2 ARG 17 -19.411 -16.997 1.955 143 2HH2 ARG 17 2HH2 ARG 17 -20.663 -17.826 1.091 144 H PHE 18 H PHE 18 -15.271 -17.092 3.931 145 HA PHE 18 HA PHE 18 -17.115 -19.324 3.721 146 1HB PHE 18 2HB PHE 18 -14.363 -18.926 4.858 147 2HB PHE 18 1HB PHE 18 -15.260 -20.393 5.250 148 HD1 PHE 18 HD1 PHE 18 -16.406 -21.591 3.180 149 HD2 PHE 18 HD2 PHE 18 -13.081 -18.885 2.908 150 HE1 PHE 18 HE1 PHE 18 -15.810 -22.547 0.971 151 HE2 PHE 18 HE2 PHE 18 -12.485 -19.840 0.698 152 HZ PHE 18 HZ PHE 18 -13.849 -21.671 -0.270 153 H ASP 19 H ASP 19 -15.889 -17.328 6.390 154 HA ASP 19 HA ASP 19 -17.281 -18.720 8.474 155 1HB ASP 19 2HB ASP 19 -15.412 -16.875 8.606 156 2HB ASP 19 1HB ASP 19 -16.776 -15.755 8.593 157 H ALA 20 H ALA 20 -19.469 -19.065 8.152 158 HA ALA 20 HA ALA 20 -21.216 -17.266 6.799 159 1HB ALA 20 1HB ALA 20 -21.559 -19.660 8.555 160 2HB ALA 20 2HB ALA 20 -22.080 -19.405 6.890 161 3HB ALA 20 3HB ALA 20 -22.972 -18.661 8.216 162 H ASN 21 H ASN 21 -20.858 -17.837 10.346 163 HA ASN 21 HA ASN 21 -22.576 -15.479 10.800 164 1HB ASN 21 2HB ASN 21 -22.471 -16.071 13.166 165 2HB ASN 21 1HB ASN 21 -22.873 -17.496 12.213 166 1HD2 ASN 21 1HD2 ASN 21 -21.622 -17.430 14.871 167 2HD2 ASN 21 2HD2 ASN 21 -20.121 -18.202 14.719 168 H GLY 22 H GLY 22 -19.203 -16.348 10.874 169 1HA GLY 22 1HA GLY 22 -18.547 -13.495 11.258 170 2HA GLY 22 2HA GLY 22 -17.419 -14.752 10.757 171 H ASP 23 H ASP 23 -18.094 -16.583 12.921 172 HA ASP 23 HA ASP 23 -17.434 -15.063 15.368 173 1HB ASP 23 2HB ASP 23 -17.671 -17.218 16.540 174 2HB ASP 23 1HB ASP 23 -19.086 -16.884 15.545 175 H GLY 24 H GLY 24 -15.684 -16.062 12.828 176 1HA GLY 24 1HA GLY 24 -13.234 -16.263 14.477 177 2HA GLY 24 2HA GLY 24 -13.287 -15.930 12.747 178 H LYS 25 H LYS 25 -15.368 -18.487 13.423 179 HA LYS 25 HA LYS 25 -13.251 -20.421 12.605 180 1HB LYS 25 2HB LYS 25 -14.181 -22.095 14.113 181 2HB LYS 25 1HB LYS 25 -13.782 -20.648 15.037 182 1HG LYS 25 2HG LYS 25 -16.073 -19.963 15.113 183 2HG LYS 25 1HG LYS 25 -16.543 -21.174 13.918 184 1HD LYS 25 2HD LYS 25 -15.662 -22.915 15.607 185 2HD LYS 25 1HD LYS 25 -15.690 -21.602 16.785 186 1HE LYS 25 2HE LYS 25 -17.798 -23.038 16.684 187 2HE LYS 25 1HE LYS 25 -18.051 -21.300 16.528 188 1HZ LYS 25 1HZ LYS 25 -17.578 -22.787 14.069 189 2HZ LYS 25 3HZ LYS 25 -19.069 -23.048 14.835 190 3HZ LYS 25 2HZ LYS 25 -18.621 -21.478 14.366 191 H ILE 26 H ILE 26 -13.899 -21.980 11.134 192 HA ILE 26 HA ILE 26 -16.660 -21.652 10.033 193 HB ILE 26 HB ILE 26 -14.331 -22.865 8.550 194 1HG1 ILE 26 2HG1 ILE 26 -15.108 -19.938 8.731 195 2HG1 ILE 26 1HG1 ILE 26 -13.589 -20.652 9.275 196 1HG2 ILE 26 3HG2 ILE 26 -17.051 -21.773 7.902 197 2HG2 ILE 26 2HG2 ILE 26 -15.787 -21.712 6.673 198 3HG2 ILE 26 1HG2 ILE 26 -16.289 -23.262 7.347 199 1HD1 ILE 26 2HD1 ILE 26 -14.197 -21.336 6.501 200 2HD1 ILE 26 1HD1 ILE 26 -14.086 -19.592 6.746 201 3HD1 ILE 26 3HD1 ILE 26 -12.730 -20.632 7.184 202 H SER 27 H SER 27 -17.960 -23.436 9.989 203 HA SER 27 HA SER 27 -16.795 -25.992 10.988 204 1HB SER 27 2HB SER 27 -18.883 -26.493 11.928 205 2HB SER 27 1HB SER 27 -18.797 -24.744 12.142 206 HG SER 27 HG SER 27 -20.716 -25.034 11.199 207 H ALA 28 H ALA 28 -17.864 -27.988 9.989 208 HA ALA 28 HA ALA 28 -17.490 -28.081 7.221 209 1HB ALA 28 3HB ALA 28 -19.613 -29.891 7.856 210 2HB ALA 28 2HB ALA 28 -17.905 -30.261 7.619 211 3HB ALA 28 1HB ALA 28 -18.503 -29.847 9.226 212 H ALA 29 H ALA 29 -20.518 -27.513 8.997 213 HA ALA 29 HA ALA 29 -22.228 -27.288 6.758 214 1HB ALA 29 2HB ALA 29 -22.882 -27.307 9.226 215 2HB ALA 29 1HB ALA 29 -22.459 -25.596 9.252 216 3HB ALA 29 3HB ALA 29 -23.762 -26.165 8.210 217 H GLU 30 H GLU 30 -20.126 -24.873 8.287 218 HA GLU 30 HA GLU 30 -21.034 -22.740 6.535 219 1HB GLU 30 2HB GLU 30 -18.581 -22.965 8.302 220 2HB GLU 30 1HB GLU 30 -19.079 -21.495 7.466 221 1HG GLU 30 2HG GLU 30 -21.250 -21.565 8.670 222 2HG GLU 30 1HG GLU 30 -20.709 -23.004 9.535 223 H LEU 31 H LEU 31 -17.972 -24.587 6.746 224 HA LEU 31 HA LEU 31 -16.886 -23.543 4.322 225 1HB LEU 31 2HB LEU 31 -15.468 -24.730 5.912 226 2HB LEU 31 1HB LEU 31 -16.411 -26.205 5.700 227 HG LEU 31 HG LEU 31 -15.761 -26.263 3.310 228 1HD1 LEU 31 1HD1 LEU 31 -14.331 -23.726 4.101 229 2HD1 LEU 31 3HD1 LEU 31 -13.795 -24.685 2.722 230 3HD1 LEU 31 2HD1 LEU 31 -15.418 -23.993 2.738 231 1HD2 LEU 31 1HD2 LEU 31 -13.711 -26.237 5.495 232 2HD2 LEU 31 3HD2 LEU 31 -14.296 -27.591 4.528 233 3HD2 LEU 31 2HD2 LEU 31 -13.166 -26.432 3.829 234 H GLY 32 H GLY 32 -18.846 -26.430 4.981 235 1HA GLY 32 1HA GLY 32 -20.083 -27.791 3.526 236 2HA GLY 32 2HA GLY 32 -18.850 -27.447 2.315 237 H GLU 33 H GLU 33 -21.063 -25.215 3.990 238 HA GLU 33 HA GLU 33 -22.916 -24.889 1.877 239 1HB GLU 33 2HB GLU 33 -22.090 -23.273 4.242 240 2HB GLU 33 1HB GLU 33 -23.029 -22.461 2.991 241 1HG GLU 33 2HG GLU 33 -24.697 -24.346 3.128 242 2HG GLU 33 1HG GLU 33 -23.802 -24.962 4.517 243 H ALA 34 H ALA 34 -19.887 -23.135 2.545 244 HA ALA 34 HA ALA 34 -20.194 -21.404 0.234 245 1HB ALA 34 1HB ALA 34 -18.757 -20.510 1.868 246 2HB ALA 34 2HB ALA 34 -17.626 -21.127 0.664 247 3HB ALA 34 3HB ALA 34 -17.945 -22.054 2.130 248 H LEU 35 H LEU 35 -18.477 -24.413 0.947 249 HA LEU 35 HA LEU 35 -17.085 -24.681 -1.508 250 1HB LEU 35 2HB LEU 35 -17.998 -26.526 0.640 251 2HB LEU 35 1HB LEU 35 -17.602 -27.261 -0.913 252 HG LEU 35 HG LEU 35 -15.753 -25.300 0.458 253 1HD1 LEU 35 1HD1 LEU 35 -16.262 -27.355 1.874 254 2HD1 LEU 35 3HD1 LEU 35 -15.555 -28.319 0.577 255 3HD1 LEU 35 2HD1 LEU 35 -14.567 -27.141 1.440 256 1HD2 LEU 35 1HD2 LEU 35 -15.589 -25.897 -2.038 257 2HD2 LEU 35 3HD2 LEU 35 -14.126 -26.111 -1.076 258 3HD2 LEU 35 2HD2 LEU 35 -15.113 -27.509 -1.504 259 H LYS 36 H LYS 36 -20.452 -25.351 -0.663 260 HA LYS 36 HA LYS 36 -21.298 -26.965 -2.747 261 1HB LYS 36 2HB LYS 36 -22.519 -24.961 -1.040 262 2HB LYS 36 1HB LYS 36 -23.231 -24.927 -2.652 263 1HG LYS 36 2HG LYS 36 -23.667 -27.336 -2.538 264 2HG LYS 36 1HG LYS 36 -22.881 -27.423 -0.961 265 1HD LYS 36 2HD LYS 36 -24.746 -25.390 -0.634 266 2HD LYS 36 1HD LYS 36 -25.596 -26.560 -1.644 267 1HE LYS 36 2HE LYS 36 -24.195 -28.035 0.344 268 2HE LYS 36 1HE LYS 36 -25.022 -26.712 1.166 269 1HZ LYS 36 2HZ LYS 36 -26.594 -28.030 -0.863 270 2HZ LYS 36 1HZ LYS 36 -26.182 -29.024 0.452 271 3HZ LYS 36 3HZ LYS 36 -27.019 -27.573 0.717 272 H THR 37 H THR 37 -20.149 -23.671 -2.943 273 HA THR 37 HA THR 37 -21.184 -22.798 -5.384 274 HB THR 37 HB THR 37 -19.553 -21.576 -3.842 275 HG1 THR 37 HG1 THR 37 -20.155 -21.100 -6.165 276 1HG2 THR 37 1HG2 THR 37 -17.885 -23.459 -3.836 277 2HG2 THR 37 3HG2 THR 37 -17.502 -23.055 -5.508 278 3HG2 THR 37 2HG2 THR 37 -17.186 -21.887 -4.225 279 H LEU 38 H LEU 38 -18.944 -25.374 -4.749 280 HA LEU 38 HA LEU 38 -17.723 -25.628 -7.307 281 1HB LEU 38 2HB LEU 38 -18.396 -27.594 -5.125 282 2HB LEU 38 1HB LEU 38 -17.699 -28.150 -6.646 283 HG LEU 38 HG LEU 38 -16.439 -25.864 -5.146 284 1HD1 LEU 38 1HD1 LEU 38 -16.221 -28.820 -4.578 285 2HD1 LEU 38 3HD1 LEU 38 -14.892 -27.718 -4.215 286 3HD1 LEU 38 2HD1 LEU 38 -16.458 -27.498 -3.434 287 1HD2 LEU 38 3HD2 LEU 38 -15.872 -26.652 -7.559 288 2HD2 LEU 38 2HD2 LEU 38 -14.538 -26.393 -6.434 289 3HD2 LEU 38 1HD2 LEU 38 -15.107 -28.029 -6.765 290 H GLY 39 H GLY 39 -20.888 -26.609 -6.119 291 1HA GLY 39 1HA GLY 39 -21.904 -26.818 -8.832 292 2HA GLY 39 2HA GLY 39 -22.817 -27.145 -7.360 293 H SER 40 H SER 40 -20.028 -28.915 -7.101 294 HA SER 40 HA SER 40 -21.454 -31.385 -7.813 295 1HB SER 40 2HB SER 40 -19.438 -30.181 -9.551 296 2HB SER 40 1HB SER 40 -19.014 -31.823 -9.068 297 HG SER 40 HG SER 40 -21.204 -32.391 -9.690 298 H ILE 41 H ILE 41 -20.860 -30.878 -5.293 299 HA ILE 41 HA ILE 41 -18.502 -32.617 -4.770 300 HB ILE 41 HB ILE 41 -18.026 -30.082 -4.460 301 1HG1 ILE 41 2HG1 ILE 41 -17.570 -31.707 -1.967 302 2HG1 ILE 41 1HG1 ILE 41 -16.800 -32.169 -3.484 303 1HG2 ILE 41 1HG2 ILE 41 -20.332 -30.073 -3.055 304 2HG2 ILE 41 3HG2 ILE 41 -19.196 -30.385 -1.742 305 3HG2 ILE 41 2HG2 ILE 41 -19.020 -28.938 -2.736 306 1HD1 ILE 41 1HD1 ILE 41 -16.632 -29.302 -2.664 307 2HD1 ILE 41 3HD1 ILE 41 -15.637 -30.463 -1.784 308 3HD1 ILE 41 2HD1 ILE 41 -15.458 -30.291 -3.532 309 H THR 42 H THR 42 -18.556 -33.257 -2.326 310 HA THR 42 HA THR 42 -21.402 -33.648 -1.495 311 HB THR 42 HB THR 42 -21.129 -35.899 -1.379 312 HG1 THR 42 HG1 THR 42 -19.460 -36.804 -0.245 313 1HG2 THR 42 3HG2 THR 42 -19.991 -35.393 -3.551 314 2HG2 THR 42 2HG2 THR 42 -18.448 -35.397 -2.695 315 3HG2 THR 42 1HG2 THR 42 -19.407 -36.874 -2.790 316 HA PRO 43 HA PRO 43 -20.195 -32.149 2.491 317 1HB PRO 43 2HB PRO 43 -21.474 -33.824 4.190 318 2HB PRO 43 1HB PRO 43 -22.316 -32.586 3.254 319 1HG PRO 43 2HG PRO 43 -22.028 -35.518 2.694 320 2HG PRO 43 1HG PRO 43 -23.467 -34.500 2.567 321 1HD PRO 43 1HD PRO 43 -22.020 -35.179 0.396 322 2HD PRO 43 2HD PRO 43 -22.813 -33.608 0.527 323 H ASP 44 H ASP 44 -19.896 -35.625 1.933 324 HA ASP 44 HA ASP 44 -18.136 -36.198 4.106 325 1HB ASP 44 2HB ASP 44 -18.339 -37.552 1.399 326 2HB ASP 44 1HB ASP 44 -17.562 -38.230 2.830 327 H GLU 45 H GLU 45 -17.568 -34.719 0.968 328 HA GLU 45 HA GLU 45 -14.667 -35.111 1.130 329 1HB GLU 45 2HB GLU 45 -16.415 -33.435 -0.700 330 2HB GLU 45 1HB GLU 45 -14.661 -33.548 -0.849 331 1HG GLU 45 2HG GLU 45 -14.974 -36.082 -0.974 332 2HG GLU 45 1HG GLU 45 -16.697 -35.763 -1.169 333 H VAL 46 H VAL 46 -17.043 -32.592 1.768 334 HA VAL 46 HA VAL 46 -15.128 -30.512 2.336 335 HB VAL 46 HB VAL 46 -18.027 -30.904 3.110 336 1HG1 VAL 46 1HG1 VAL 46 -16.031 -29.010 4.125 337 2HG1 VAL 46 3HG1 VAL 46 -17.440 -28.214 3.424 338 3HG1 VAL 46 2HG1 VAL 46 -17.644 -29.373 4.737 339 1HG2 VAL 46 1HG2 VAL 46 -16.596 -29.868 0.815 340 2HG2 VAL 46 3HG2 VAL 46 -18.329 -30.135 1.013 341 3HG2 VAL 46 2HG2 VAL 46 -17.608 -28.611 1.529 342 H LYS 47 H LYS 47 -16.728 -32.994 4.258 343 HA LYS 47 HA LYS 47 -15.839 -32.059 6.826 344 1HB LYS 47 2HB LYS 47 -16.614 -34.816 5.837 345 2HB LYS 47 1HB LYS 47 -16.245 -34.461 7.524 346 1HG LYS 47 2HG LYS 47 -18.031 -32.716 7.506 347 2HG LYS 47 1HG LYS 47 -18.439 -33.191 5.857 348 1HD LYS 47 2HD LYS 47 -18.867 -35.512 6.676 349 2HD LYS 47 1HD LYS 47 -18.566 -34.955 8.323 350 1HE LYS 47 2HE LYS 47 -20.566 -33.471 6.658 351 2HE LYS 47 1HE LYS 47 -21.034 -35.025 7.349 352 1HZ LYS 47 3HZ LYS 47 -20.312 -34.187 9.528 353 2HZ LYS 47 2HZ LYS 47 -19.995 -32.670 8.831 354 3HZ LYS 47 1HZ LYS 47 -21.582 -33.273 8.873 355 H HIS 48 H HIS 48 -14.450 -34.272 4.437 356 HA HIS 48 HA HIS 48 -12.194 -35.071 6.021 357 1HB HIS 48 2HB HIS 48 -12.854 -36.311 4.009 358 2HB HIS 48 1HB HIS 48 -12.503 -34.903 3.007 359 HD1 HIS 48 HD1 HIS 48 -10.553 -35.982 1.718 360 HD2 HIS 48 HD2 HIS 48 -10.012 -36.026 5.852 361 HE1 HIS 48 HE1 HIS 48 -8.148 -36.668 2.119 362 H MET 49 H MET 49 -12.701 -32.404 3.713 363 HA MET 49 HA MET 49 -10.035 -31.435 3.666 364 1HB MET 49 2HB MET 49 -12.736 -30.182 3.262 365 2HB MET 49 1HB MET 49 -11.301 -29.162 3.317 366 1HG MET 49 2HG MET 49 -10.329 -30.900 1.610 367 2HG MET 49 1HG MET 49 -12.024 -31.304 1.336 368 1HE MET 49 1HE MET 49 -12.134 -30.981 -0.714 369 2HE MET 49 3HE MET 49 -13.349 -29.700 -0.811 370 3HE MET 49 2HE MET 49 -11.846 -29.563 -1.718 371 H MET 50 H MET 50 -12.729 -30.727 5.858 372 HA MET 50 HA MET 50 -11.387 -28.780 7.449 373 1HB MET 50 2HB MET 50 -13.719 -30.614 7.847 374 2HB MET 50 1HB MET 50 -13.047 -29.792 9.254 375 1HG MET 50 2HG MET 50 -13.199 -27.636 7.862 376 2HG MET 50 1HG MET 50 -14.216 -28.560 6.755 377 1HE MET 50 2HE MET 50 -13.536 -26.947 9.882 378 2HE MET 50 1HE MET 50 -15.036 -26.825 10.799 379 3HE MET 50 3HE MET 50 -14.045 -28.286 10.909 380 H ALA 51 H ALA 51 -11.705 -32.297 7.858 381 HA ALA 51 HA ALA 51 -10.186 -32.521 10.251 382 1HB ALA 51 1HB ALA 51 -11.482 -34.291 8.564 383 2HB ALA 51 3HB ALA 51 -9.786 -34.729 8.356 384 3HB ALA 51 2HB ALA 51 -10.511 -34.748 9.963 385 H GLU 52 H GLU 52 -9.228 -31.847 7.005 386 HA GLU 52 HA GLU 52 -6.393 -32.527 7.567 387 1HB GLU 52 2HB GLU 52 -7.926 -31.739 5.096 388 2HB GLU 52 1HB GLU 52 -6.167 -31.633 5.129 389 1HG GLU 52 2HG GLU 52 -7.521 -34.156 6.043 390 2HG GLU 52 1HG GLU 52 -7.311 -33.855 4.318 391 H ILE 53 H ILE 53 -8.509 -29.775 6.969 392 HA ILE 53 HA ILE 53 -6.316 -27.840 7.081 393 HB ILE 53 HB ILE 53 -9.322 -27.475 7.155 394 1HG1 ILE 53 2HG1 ILE 53 -7.345 -27.164 4.882 395 2HG1 ILE 53 1HG1 ILE 53 -8.417 -28.547 5.092 396 1HG2 ILE 53 1HG2 ILE 53 -7.968 -25.598 8.119 397 2HG2 ILE 53 3HG2 ILE 53 -7.137 -25.462 6.570 398 3HG2 ILE 53 2HG2 ILE 53 -8.868 -25.147 6.671 399 1HD1 ILE 53 2HD1 ILE 53 -9.747 -25.912 5.217 400 2HD1 ILE 53 1HD1 ILE 53 -9.067 -26.328 3.643 401 3HD1 ILE 53 3HD1 ILE 53 -10.251 -27.392 4.402 402 H ASP 54 H ASP 54 -8.719 -29.180 9.268 403 HA ASP 54 HA ASP 54 -8.532 -27.279 11.371 404 1HB ASP 54 2HB ASP 54 -10.104 -29.355 10.988 405 2HB ASP 54 1HB ASP 54 -8.864 -30.217 11.888 406 H THR 55 H THR 55 -6.457 -26.669 11.951 407 HA THR 55 HA THR 55 -4.235 -28.492 12.111 408 HB THR 55 HB THR 55 -3.090 -26.597 13.255 409 HG1 THR 55 HG1 THR 55 -4.431 -25.413 14.352 410 1HG2 THR 55 3HG2 THR 55 -3.228 -26.695 10.788 411 2HG2 THR 55 2HG2 THR 55 -4.751 -25.808 10.845 412 3HG2 THR 55 1HG2 THR 55 -3.257 -25.030 11.367 413 H ASP 56 H ASP 56 -6.305 -27.036 14.622 414 HA ASP 56 HA ASP 56 -4.959 -28.660 16.681 415 1HB ASP 56 2HB ASP 56 -6.154 -27.393 18.276 416 2HB ASP 56 1HB ASP 56 -5.827 -26.240 16.984 417 H GLY 57 H GLY 57 -8.110 -28.479 15.085 418 1HA GLY 57 1HA GLY 57 -8.604 -31.271 15.996 419 2HA GLY 57 2HA GLY 57 -9.349 -30.526 14.586 420 H ASP 58 H ASP 58 -9.980 -28.020 16.122 421 HA ASP 58 HA ASP 58 -11.786 -28.923 18.252 422 1HB ASP 58 2HB ASP 58 -12.327 -26.600 18.565 423 2HB ASP 58 1HB ASP 58 -10.592 -26.684 18.277 424 H GLY 59 H GLY 59 -11.938 -28.970 14.932 425 1HA GLY 59 1HA GLY 59 -14.904 -29.110 15.038 426 2HA GLY 59 2HA GLY 59 -13.893 -29.839 13.792 427 H PHE 60 H PHE 60 -12.695 -26.785 14.398 428 HA PHE 60 HA PHE 60 -14.193 -25.720 12.051 429 1HB PHE 60 2HB PHE 60 -13.491 -24.046 14.469 430 2HB PHE 60 1HB PHE 60 -14.475 -23.579 13.083 431 HD1 PHE 60 HD1 PHE 60 -16.722 -24.540 12.748 432 HD2 PHE 60 HD2 PHE 60 -14.388 -25.416 16.244 433 HE1 PHE 60 HE1 PHE 60 -18.747 -25.401 13.884 434 HE2 PHE 60 HE2 PHE 60 -16.416 -26.273 17.383 435 HZ PHE 60 HZ PHE 60 -18.598 -26.269 16.204 436 H ILE 61 H ILE 61 -13.085 -24.051 10.871 437 HA ILE 61 HA ILE 61 -10.132 -24.157 11.198 438 HB ILE 61 HB ILE 61 -11.711 -23.356 8.743 439 1HG1 ILE 61 2HG1 ILE 61 -12.240 -25.682 9.294 440 2HG1 ILE 61 1HG1 ILE 61 -11.163 -25.635 7.898 441 1HG2 ILE 61 3HG2 ILE 61 -9.341 -22.578 8.942 442 2HG2 ILE 61 2HG2 ILE 61 -8.836 -24.261 9.087 443 3HG2 ILE 61 1HG2 ILE 61 -9.588 -23.691 7.597 444 1HD1 ILE 61 2HD1 ILE 61 -9.227 -25.982 9.461 445 2HD1 ILE 61 1HD1 ILE 61 -10.385 -26.198 10.773 446 3HD1 ILE 61 3HD1 ILE 61 -10.355 -27.340 9.428 447 H SER 62 H SER 62 -9.141 -22.231 11.730 448 HA SER 62 HA SER 62 -10.846 -19.799 11.802 449 1HB SER 62 2HB SER 62 -8.449 -19.125 12.994 450 2HB SER 62 1HB SER 62 -9.877 -19.699 13.856 451 HG SER 62 HG SER 62 -7.518 -20.869 13.642 452 H PHE 63 H PHE 63 -9.637 -17.725 11.199 453 HA PHE 63 HA PHE 63 -8.781 -17.830 8.514 454 1HB PHE 63 2HB PHE 63 -9.475 -15.731 9.649 455 2HB PHE 63 1HB PHE 63 -7.980 -15.764 10.589 456 HD1 PHE 63 HD1 PHE 63 -8.916 -16.331 7.000 457 HD2 PHE 63 HD2 PHE 63 -6.349 -14.310 9.787 458 HE1 PHE 63 HE1 PHE 63 -7.712 -15.263 5.115 459 HE2 PHE 63 HE2 PHE 63 -5.142 -13.244 7.903 460 HZ PHE 63 HZ PHE 63 -5.828 -13.719 5.564 461 H GLN 64 H GLN 64 -6.883 -17.811 11.508 462 HA GLN 64 HA GLN 64 -4.300 -17.793 10.334 463 1HB GLN 64 2HB GLN 64 -4.847 -17.526 12.783 464 2HB GLN 64 1HB GLN 64 -5.135 -19.264 12.851 465 1HG GLN 64 2HG GLN 64 -2.861 -18.915 13.554 466 2HG GLN 64 1HG GLN 64 -2.789 -19.576 11.921 467 1HE2 GLN 64 1HE2 GLN 64 -1.216 -18.495 10.733 468 2HE2 GLN 64 2HE2 GLN 64 -0.901 -16.829 10.815 469 H GLU 65 H GLU 65 -6.385 -20.549 11.272 470 HA GLU 65 HA GLU 65 -4.608 -22.595 10.386 471 1HB GLU 65 2HB GLU 65 -7.603 -22.472 10.743 472 2HB GLU 65 1HB GLU 65 -6.794 -23.934 10.191 473 1HG GLU 65 2HG GLU 65 -5.386 -23.926 12.219 474 2HG GLU 65 1HG GLU 65 -6.196 -22.461 12.774 475 H PHE 66 H PHE 66 -7.315 -20.960 8.752 476 HA PHE 66 HA PHE 66 -7.128 -22.355 6.280 477 1HB PHE 66 2HB PHE 66 -9.007 -20.834 6.928 478 2HB PHE 66 1HB PHE 66 -7.926 -19.459 6.702 479 HD1 PHE 66 HD1 PHE 66 -7.052 -18.896 4.453 480 HD2 PHE 66 HD2 PHE 66 -9.906 -22.052 5.044 481 HE1 PHE 66 HE1 PHE 66 -7.549 -18.903 2.023 482 HE2 PHE 66 HE2 PHE 66 -10.402 -22.059 2.614 483 HZ PHE 66 HZ PHE 66 -9.224 -20.484 1.104 484 H THR 67 H THR 67 -5.442 -19.487 7.488 485 HA THR 67 HA THR 67 -4.067 -18.882 5.035 486 HB THR 67 HB THR 67 -3.433 -18.267 7.934 487 HG1 THR 67 HG1 THR 67 -4.510 -16.493 7.536 488 1HG2 THR 67 2HG2 THR 67 -1.968 -17.577 5.394 489 2HG2 THR 67 1HG2 THR 67 -1.896 -16.513 6.798 490 3HG2 THR 67 3HG2 THR 67 -1.311 -18.173 6.918 491 H ASP 68 H ASP 68 -3.124 -20.750 7.928 492 HA ASP 68 HA ASP 68 -0.525 -21.475 7.044 493 1HB ASP 68 2HB ASP 68 -2.491 -22.940 8.822 494 2HB ASP 68 1HB ASP 68 -0.820 -23.453 8.589 495 H PHE 69 H PHE 69 -3.681 -23.001 6.480 496 HA PHE 69 HA PHE 69 -2.546 -25.201 4.960 497 1HB PHE 69 2HB PHE 69 -4.581 -25.878 5.775 498 2HB PHE 69 1HB PHE 69 -5.242 -24.246 5.761 499 HD1 PHE 69 HD1 PHE 69 -5.819 -23.210 3.496 500 HD2 PHE 69 HD2 PHE 69 -5.126 -27.404 4.066 501 HE1 PHE 69 HE1 PHE 69 -7.010 -23.695 1.371 502 HE2 PHE 69 HE2 PHE 69 -6.311 -27.893 1.947 503 HZ PHE 69 HZ PHE 69 -7.258 -26.039 0.596 504 H GLY 70 H GLY 70 -3.974 -22.054 4.231 505 1HA GLY 70 1HA GLY 70 -3.954 -20.799 2.247 506 2HA GLY 70 2HA GLY 70 -4.192 -22.335 1.411 507 H ARG 71 H ARG 71 -1.429 -21.594 3.480 508 HA ARG 71 HA ARG 71 0.370 -20.817 1.379 509 1HB ARG 71 2HB ARG 71 0.906 -22.044 4.102 510 2HB ARG 71 1HB ARG 71 2.155 -21.380 3.048 511 1HG ARG 71 2HG ARG 71 0.954 -19.192 3.071 512 2HG ARG 71 1HG ARG 71 -0.205 -19.870 4.213 513 1HD ARG 71 2HD ARG 71 2.771 -19.474 4.635 514 2HD ARG 71 1HD ARG 71 1.454 -18.674 5.495 515 HE ARG 71 HE ARG 71 1.089 -21.430 5.910 516 1HH1 ARG 71 1HH1 ARG 71 3.730 -19.255 6.249 517 2HH1 ARG 71 2HH1 ARG 71 4.237 -19.892 7.776 518 1HH2 ARG 71 1HH2 ARG 71 1.626 -22.162 8.000 519 2HH2 ARG 71 2HH2 ARG 71 3.046 -21.537 8.768 520 H ALA 72 H ALA 72 -0.592 -23.926 2.722 521 HA ALA 72 HA ALA 72 1.456 -25.491 1.437 522 1HB ALA 72 1HB ALA 72 0.500 -27.022 2.785 523 2HB ALA 72 2HB ALA 72 -0.879 -27.071 1.687 524 3HB ALA 72 3HB ALA 72 -0.884 -25.964 3.060 525 H ASN 73 H ASN 73 -1.449 -23.989 0.316 526 HA ASN 73 HA ASN 73 -0.898 -24.968 -2.409 527 1HB ASN 73 2HB ASN 73 -3.726 -25.230 -1.426 528 2HB ASN 73 1HB ASN 73 -2.938 -26.047 -2.776 529 1HD2 ASN 73 1HD2 ASN 73 -3.917 -26.456 0.455 530 2HD2 ASN 73 2HD2 ASN 73 -2.984 -27.825 0.822 531 H ARG 74 H ARG 74 -0.442 -22.450 -1.737 532 HA ARG 74 HA ARG 74 -2.499 -20.563 -1.596 533 1HB ARG 74 2HB ARG 74 0.179 -20.481 -2.996 534 2HB ARG 74 1HB ARG 74 -0.899 -19.084 -2.974 535 1HG ARG 74 2HG ARG 74 -0.979 -19.414 -0.417 536 2HG ARG 74 1HG ARG 74 0.416 -20.471 -0.634 537 1HD ARG 74 2HD ARG 74 0.267 -17.599 -1.599 538 2HD ARG 74 1HD ARG 74 1.067 -18.115 -0.115 539 HE ARG 74 HE ARG 74 1.984 -18.754 -2.872 540 1HH1 ARG 74 1HH1 ARG 74 2.249 -20.345 -0.018 541 2HH1 ARG 74 2HH1 ARG 74 3.956 -20.134 0.187 542 1HH2 ARG 74 1HH2 ARG 74 4.249 -17.817 -2.375 543 2HH2 ARG 74 2HH2 ARG 74 5.088 -18.703 -1.147 544 H GLY 75 H GLY 75 -1.277 -22.323 -4.392 545 1HA GLY 75 1HA GLY 75 -2.187 -22.617 -6.520 546 2HA GLY 75 2HA GLY 75 -2.693 -20.930 -6.423 547 H LEU 76 H LEU 76 -3.703 -23.374 -4.116 548 HA LEU 76 HA LEU 76 -6.207 -24.034 -5.374 549 1HB LEU 76 2HB LEU 76 -5.245 -24.221 -2.512 550 2HB LEU 76 1HB LEU 76 -6.838 -24.782 -3.019 551 HG LEU 76 HG LEU 76 -4.184 -25.738 -4.140 552 1HD1 LEU 76 1HD1 LEU 76 -5.484 -26.448 -1.769 553 2HD1 LEU 76 3HD1 LEU 76 -5.952 -27.706 -2.912 554 3HD1 LEU 76 2HD1 LEU 76 -4.245 -27.390 -2.599 555 1HD2 LEU 76 3HD2 LEU 76 -7.000 -26.012 -5.001 556 2HD2 LEU 76 2HD2 LEU 76 -5.515 -26.189 -5.936 557 3HD2 LEU 76 1HD2 LEU 76 -6.094 -27.522 -4.938 558 H LEU 77 H LEU 77 -5.326 -21.694 -2.849 559 HA LEU 77 HA LEU 77 -7.974 -20.708 -2.410 560 1HB LEU 77 2HB LEU 77 -5.328 -19.258 -2.096 561 2HB LEU 77 1HB LEU 77 -6.863 -18.762 -1.385 562 HG LEU 77 HG LEU 77 -5.242 -21.239 -0.764 563 1HD1 LEU 77 2HD1 LEU 77 -6.056 -18.732 0.650 564 2HD1 LEU 77 1HD1 LEU 77 -5.897 -20.207 1.603 565 3HD1 LEU 77 3HD1 LEU 77 -4.518 -19.592 0.693 566 1HD2 LEU 77 1HD2 LEU 77 -8.162 -20.683 -0.423 567 2HD2 LEU 77 3HD2 LEU 77 -7.345 -22.209 -0.758 568 3HD2 LEU 77 2HD2 LEU 77 -7.323 -21.536 0.872 569 H LYS 78 H LYS 78 -5.531 -19.943 -4.826 570 HA LYS 78 HA LYS 78 -6.708 -17.510 -5.779 571 1HB LYS 78 2HB LYS 78 -5.029 -19.595 -7.206 572 2HB LYS 78 1HB LYS 78 -5.431 -18.014 -7.875 573 1HG LYS 78 2HG LYS 78 -4.375 -16.960 -5.858 574 2HG LYS 78 1HG LYS 78 -3.862 -18.564 -5.339 575 1HD LYS 78 2HD LYS 78 -2.136 -17.205 -6.652 576 2HD LYS 78 1HD LYS 78 -2.449 -18.836 -7.245 577 1HE LYS 78 2HE LYS 78 -3.884 -18.007 -8.992 578 2HE LYS 78 1HE LYS 78 -3.866 -16.380 -8.314 579 1HZ LYS 78 2HZ LYS 78 -1.415 -16.394 -8.683 580 2HZ LYS 78 1HZ LYS 78 -1.603 -17.842 -9.551 581 3HZ LYS 78 3HZ LYS 78 -2.340 -16.421 -10.108 582 H ASP 79 H ASP 79 -7.469 -20.883 -6.266 583 HA ASP 79 HA ASP 79 -9.144 -20.445 -8.607 584 1HB ASP 79 2HB ASP 79 -8.115 -22.644 -8.153 585 2HB ASP 79 1HB ASP 79 -9.055 -22.774 -6.666 586 H VAL 80 H VAL 80 -9.645 -20.600 -5.119 587 HA VAL 80 HA VAL 80 -12.559 -20.492 -5.366 588 HB VAL 80 HB VAL 80 -10.844 -19.976 -2.921 589 1HG1 VAL 80 2HG1 VAL 80 -13.426 -19.420 -3.124 590 2HG1 VAL 80 1HG1 VAL 80 -13.598 -21.163 -2.918 591 3HG1 VAL 80 3HG1 VAL 80 -12.794 -20.203 -1.675 592 1HG2 VAL 80 3HG2 VAL 80 -11.785 -22.512 -4.240 593 2HG2 VAL 80 2HG2 VAL 80 -10.201 -22.138 -3.560 594 3HG2 VAL 80 1HG2 VAL 80 -11.569 -22.452 -2.491 595 H ALA 81 H ALA 81 -9.917 -18.220 -4.903 596 HA ALA 81 HA ALA 81 -11.473 -15.976 -4.052 597 1HB ALA 81 1HB ALA 81 -9.510 -14.828 -4.185 598 2HB ALA 81 3HB ALA 81 -8.808 -16.427 -4.426 599 3HB ALA 81 2HB ALA 81 -9.172 -15.405 -5.817 600 H LYS 82 H LYS 82 -11.211 -17.554 -7.111 601 HA LYS 82 HA LYS 82 -12.182 -15.196 -8.603 602 1HB LYS 82 2HB LYS 82 -11.655 -18.053 -9.481 603 2HB LYS 82 1HB LYS 82 -12.118 -16.736 -10.558 604 1HG LYS 82 2HG LYS 82 -10.080 -15.476 -9.689 605 2HG LYS 82 1HG LYS 82 -9.583 -16.984 -8.922 606 1HD LYS 82 2HD LYS 82 -9.786 -18.081 -11.205 607 2HD LYS 82 1HD LYS 82 -9.983 -16.464 -11.878 608 1HE LYS 82 2HE LYS 82 -7.666 -16.845 -12.069 609 2HE LYS 82 1HE LYS 82 -7.797 -15.904 -10.583 610 1HZ LYS 82 3HZ LYS 82 -8.016 -18.226 -9.497 611 2HZ LYS 82 2HZ LYS 82 -7.275 -18.779 -10.923 612 3HZ LYS 82 1HZ LYS 82 -6.481 -17.650 -9.931 613 H ILE 83 H ILE 83 -13.374 -18.197 -7.237 614 HA ILE 83 HA ILE 83 -15.899 -18.266 -8.591 615 HB ILE 83 HB ILE 83 -15.168 -19.277 -5.826 616 1HG1 ILE 83 2HG1 ILE 83 -14.998 -20.494 -8.590 617 2HG1 ILE 83 1HG1 ILE 83 -13.704 -20.309 -7.407 618 1HG2 ILE 83 3HG2 ILE 83 -17.613 -19.076 -6.259 619 2HG2 ILE 83 2HG2 ILE 83 -17.418 -20.084 -7.694 620 3HG2 ILE 83 1HG2 ILE 83 -17.098 -20.755 -6.094 621 1HD1 ILE 83 3HD1 ILE 83 -14.972 -21.856 -5.881 622 2HD1 ILE 83 2HD1 ILE 83 -16.116 -22.134 -7.194 623 3HD1 ILE 83 1HD1 ILE 83 -14.432 -22.623 -7.376 624 H PHE 84 H PHE 84 -14.773 -16.652 -5.670 625 HA PHE 84 HA PHE 84 -17.463 -15.399 -5.361 626 1HB PHE 84 2HB PHE 84 -15.142 -15.439 -3.412 627 2HB PHE 84 1HB PHE 84 -16.784 -14.882 -3.082 628 HD1 PHE 84 HD1 PHE 84 -18.654 -16.484 -2.936 629 HD2 PHE 84 HD2 PHE 84 -14.614 -17.800 -3.573 630 HE1 PHE 84 HE1 PHE 84 -19.318 -18.803 -2.359 631 HE2 PHE 84 HE2 PHE 84 -15.279 -20.119 -2.993 632 HZ PHE 84 HZ PHE 84 -17.631 -20.619 -2.386 No H/Q in entry = 632 Start of MODEL 5 1 H1 ALA 1 1H ALA 1 10.104 -14.800 4.314 2 H2 ALA 1 3H ALA 1 9.888 -16.315 5.045 3 H3 ALA 1 2H ALA 1 10.734 -16.196 3.577 4 HA ALA 1 HA ALA 1 8.652 -16.976 2.941 5 1HB ALA 1 1HB ALA 1 6.832 -15.065 3.992 6 2HB ALA 1 2HB ALA 1 7.854 -15.589 5.330 7 3HB ALA 1 3HB ALA 1 6.946 -16.778 4.395 8 H ASP 2 H ASP 2 8.330 -16.308 0.878 9 HA ASP 2 HA ASP 2 8.960 -13.537 0.137 10 1HB ASP 2 2HB ASP 2 8.498 -14.361 -2.186 11 2HB ASP 2 1HB ASP 2 9.714 -15.319 -1.341 12 H ASP 3 H ASP 3 6.202 -15.185 1.174 13 HA ASP 3 HA ASP 3 4.180 -14.001 -0.472 14 1HB ASP 3 2HB ASP 3 4.020 -14.872 2.430 15 2HB ASP 3 1HB ASP 3 2.642 -14.567 1.374 16 H HIS 4 H HIS 4 2.939 -12.101 -0.131 17 HA HIS 4 HA HIS 4 4.192 -10.141 1.752 18 1HB HIS 4 2HB HIS 4 2.513 -8.892 -0.246 19 2HB HIS 4 1HB HIS 4 4.223 -8.629 0.078 20 HD1 HIS 4 HD1 HIS 4 1.987 -9.939 -2.444 21 HD2 HIS 4 HD2 HIS 4 5.896 -10.763 -1.253 22 HE1 HIS 4 HE1 HIS 4 3.062 -11.210 -4.350 23 HA PRO 5 HA PRO 5 0.325 -9.459 3.807 24 1HB PRO 5 2HB PRO 5 -0.080 -6.787 3.716 25 2HB PRO 5 1HB PRO 5 1.150 -7.536 4.738 26 1HG PRO 5 2HG PRO 5 1.449 -6.221 2.062 27 2HG PRO 5 1HG PRO 5 2.472 -6.070 3.494 28 1HD PRO 5 1HD PRO 5 3.148 -7.657 1.419 29 2HD PRO 5 2HD PRO 5 3.566 -8.068 3.083 30 H GLN 6 H GLN 6 0.619 -8.186 0.567 31 HA GLN 6 HA GLN 6 -2.099 -7.430 0.130 32 1HB GLN 6 2HB GLN 6 0.234 -8.139 -1.579 33 2HB GLN 6 1HB GLN 6 -1.359 -8.237 -2.330 34 1HG GLN 6 2HG GLN 6 -1.799 -5.952 -1.992 35 2HG GLN 6 1HG GLN 6 -0.578 -5.810 -0.727 36 1HE2 GLN 6 1HE2 GLN 6 1.774 -6.347 -1.598 37 2HE2 GLN 6 2HE2 GLN 6 2.158 -5.699 -3.119 38 H ASP 7 H ASP 7 -0.408 -10.521 -0.337 39 HA ASP 7 HA ASP 7 -2.570 -11.972 -1.459 40 1HB ASP 7 2HB ASP 7 -0.291 -12.867 0.321 41 2HB ASP 7 1HB ASP 7 -1.425 -13.988 -0.434 42 H LYS 8 H LYS 8 -1.719 -11.363 1.930 43 HA LYS 8 HA LYS 8 -3.618 -13.013 3.190 44 1HB LYS 8 2HB LYS 8 -2.343 -10.393 3.900 45 2HB LYS 8 1HB LYS 8 -3.659 -11.001 4.906 46 1HG LYS 8 2HG LYS 8 -2.293 -13.249 4.824 47 2HG LYS 8 1HG LYS 8 -0.945 -12.189 4.413 48 1HD LYS 8 2HD LYS 8 -1.546 -10.804 6.447 49 2HD LYS 8 1HD LYS 8 -2.681 -12.078 6.892 50 1HE LYS 8 2HE LYS 8 -1.005 -13.289 7.782 51 2HE LYS 8 1HE LYS 8 -0.153 -13.275 6.238 52 1HZ LYS 8 3HZ LYS 8 -0.090 -10.934 8.032 53 2HZ LYS 8 2HZ LYS 8 0.988 -12.228 8.249 54 3HZ LYS 8 1HZ LYS 8 0.990 -11.351 6.793 55 H ALA 9 H ALA 9 -4.019 -9.858 1.671 56 HA ALA 9 HA ALA 9 -6.658 -9.298 2.562 57 1HB ALA 9 1HB ALA 9 -5.645 -8.635 -0.206 58 2HB ALA 9 3HB ALA 9 -6.777 -7.717 0.786 59 3HB ALA 9 2HB ALA 9 -5.070 -7.777 1.224 60 H GLU 10 H GLU 10 -5.505 -11.073 -0.289 61 HA GLU 10 HA GLU 10 -8.147 -11.740 -1.239 62 1HB GLU 10 2HB GLU 10 -5.585 -13.283 -1.725 63 2HB GLU 10 1HB GLU 10 -7.031 -13.276 -2.735 64 1HG GLU 10 2HG GLU 10 -5.250 -10.881 -2.186 65 2HG GLU 10 1HG GLU 10 -5.285 -11.810 -3.685 66 H ARG 11 H ARG 11 -5.790 -13.372 0.833 67 HA ARG 11 HA ARG 11 -7.302 -15.801 1.150 68 1HB ARG 11 2HB ARG 11 -5.123 -14.482 2.775 69 2HB ARG 11 1HB ARG 11 -5.845 -16.019 3.249 70 1HG ARG 11 2HG ARG 11 -5.294 -16.850 0.907 71 2HG ARG 11 1HG ARG 11 -4.329 -15.392 0.704 72 1HD ARG 11 2HD ARG 11 -3.931 -17.627 2.700 73 2HD ARG 11 1HD ARG 11 -2.809 -17.069 1.460 74 HE ARG 11 HE ARG 11 -3.558 -15.118 3.543 75 1HH1 ARG 11 1HH1 ARG 11 -1.678 -17.831 3.624 76 2HH1 ARG 11 2HH1 ARG 11 -0.168 -17.026 3.886 77 1HH2 ARG 11 1HH2 ARG 11 -1.447 -13.863 3.279 78 2HH2 ARG 11 2HH2 ARG 11 -0.038 -14.779 3.693 79 H GLU 12 H GLU 12 -7.155 -12.762 2.945 80 HA GLU 12 HA GLU 12 -8.875 -13.599 5.095 81 1HB GLU 12 2HB GLU 12 -7.813 -11.009 4.072 82 2HB GLU 12 1HB GLU 12 -9.248 -10.940 5.093 83 1HG GLU 12 2HG GLU 12 -7.869 -12.587 6.625 84 2HG GLU 12 1HG GLU 12 -6.487 -11.907 5.767 85 H ARG 13 H ARG 13 -9.456 -12.006 1.985 86 HA ARG 13 HA ARG 13 -12.265 -11.560 2.416 87 1HB ARG 13 2HB ARG 13 -10.652 -11.854 -0.135 88 2HB ARG 13 1HB ARG 13 -12.346 -11.367 -0.093 89 1HG ARG 13 2HG ARG 13 -11.856 -9.346 1.032 90 2HG ARG 13 1HG ARG 13 -10.264 -9.912 1.535 91 1HD ARG 13 2HD ARG 13 -9.306 -9.247 -0.405 92 2HD ARG 13 1HD ARG 13 -10.609 -9.935 -1.374 93 HE ARG 13 HE ARG 13 -11.899 -7.793 -0.637 94 1HH1 ARG 13 1HH1 ARG 13 -8.697 -7.508 0.208 95 2HH1 ARG 13 2HH1 ARG 13 -8.377 -6.087 -0.728 96 1HH2 ARG 13 1HH2 ARG 13 -11.412 -6.187 -2.404 97 2HH2 ARG 13 2HH2 ARG 13 -9.914 -5.340 -2.209 98 H ILE 14 H ILE 14 -10.417 -14.218 0.974 99 HA ILE 14 HA ILE 14 -12.748 -15.740 0.193 100 HB ILE 14 HB ILE 14 -9.945 -16.732 0.796 101 1HG1 ILE 14 2HG1 ILE 14 -10.996 -16.109 -1.948 102 2HG1 ILE 14 1HG1 ILE 14 -10.340 -14.810 -0.955 103 1HG2 ILE 14 2HG2 ILE 14 -12.411 -17.991 -0.106 104 2HG2 ILE 14 1HG2 ILE 14 -11.118 -18.186 -1.291 105 3HG2 ILE 14 3HG2 ILE 14 -10.885 -18.739 0.369 106 1HD1 ILE 14 1HD1 ILE 14 -8.598 -17.108 -0.831 107 2HD1 ILE 14 3HD1 ILE 14 -8.891 -16.672 -2.514 108 3HD1 ILE 14 2HD1 ILE 14 -8.235 -15.477 -1.395 109 H PHE 15 H PHE 15 -10.536 -15.878 2.995 110 HA PHE 15 HA PHE 15 -11.893 -18.032 4.304 111 1HB PHE 15 2HB PHE 15 -9.625 -17.301 4.957 112 2HB PHE 15 1HB PHE 15 -10.284 -15.767 5.533 113 HD1 PHE 15 HD1 PHE 15 -10.101 -19.409 6.116 114 HD2 PHE 15 HD2 PHE 15 -11.620 -15.668 7.582 115 HE1 PHE 15 HE1 PHE 15 -10.667 -20.486 8.276 116 HE2 PHE 15 HE2 PHE 15 -12.184 -16.745 9.745 117 HZ PHE 15 HZ PHE 15 -11.711 -19.158 10.091 118 H LYS 16 H LYS 16 -12.377 -14.537 4.307 119 HA LYS 16 HA LYS 16 -14.295 -14.478 6.448 120 1HB LYS 16 2HB LYS 16 -13.607 -12.639 4.170 121 2HB LYS 16 1HB LYS 16 -15.045 -12.326 5.142 122 1HG LYS 16 2HG LYS 16 -13.655 -12.351 7.190 123 2HG LYS 16 1HG LYS 16 -12.219 -12.638 6.206 124 1HD LYS 16 2HD LYS 16 -12.752 -10.501 4.966 125 2HD LYS 16 1HD LYS 16 -14.014 -10.196 6.160 126 1HE LYS 16 2HE LYS 16 -11.552 -10.901 7.496 127 2HE LYS 16 1HE LYS 16 -11.266 -9.567 6.378 128 1HZ LYS 16 3HZ LYS 16 -13.615 -8.895 7.524 129 2HZ LYS 16 2HZ LYS 16 -12.790 -9.624 8.818 130 3HZ LYS 16 1HZ LYS 16 -12.098 -8.306 8.001 131 H ARG 17 H ARG 17 -14.517 -15.199 3.018 132 HA ARG 17 HA ARG 17 -17.391 -15.023 2.832 133 1HB ARG 17 2HB ARG 17 -15.285 -16.442 1.193 134 2HB ARG 17 1HB ARG 17 -17.002 -16.556 0.808 135 1HG ARG 17 2HG ARG 17 -17.004 -13.980 0.875 136 2HG ARG 17 1HG ARG 17 -15.246 -14.098 0.818 137 1HD ARG 17 2HD ARG 17 -15.490 -15.534 -1.240 138 2HD ARG 17 1HD ARG 17 -17.215 -15.173 -1.219 139 HE ARG 17 HE ARG 17 -16.121 -12.670 -1.183 140 1HH1 ARG 17 1HH1 ARG 17 -13.805 -14.400 -2.444 141 2HH1 ARG 17 2HH1 ARG 17 -14.053 -14.022 -4.116 142 1HH2 ARG 17 1HH2 ARG 17 -17.196 -12.646 -3.612 143 2HH2 ARG 17 2HH2 ARG 17 -15.972 -13.029 -4.777 144 H PHE 18 H PHE 18 -15.125 -17.622 3.625 145 HA PHE 18 HA PHE 18 -17.100 -19.715 3.707 146 1HB PHE 18 2HB PHE 18 -14.372 -19.420 4.977 147 2HB PHE 18 1HB PHE 18 -15.353 -20.873 5.161 148 HD1 PHE 18 HD1 PHE 18 -16.151 -22.075 3.046 149 HD2 PHE 18 HD2 PHE 18 -13.094 -19.058 3.021 150 HE1 PHE 18 HE1 PHE 18 -15.379 -22.876 0.829 151 HE2 PHE 18 HE2 PHE 18 -12.322 -19.858 0.804 152 HZ PHE 18 HZ PHE 18 -13.465 -21.768 -0.292 153 H ASP 19 H ASP 19 -15.636 -17.722 6.279 154 HA ASP 19 HA ASP 19 -17.108 -18.813 8.443 155 1HB ASP 19 2HB ASP 19 -15.182 -17.028 8.414 156 2HB ASP 19 1HB ASP 19 -16.505 -15.865 8.307 157 H ALA 20 H ALA 20 -19.303 -19.115 8.180 158 HA ALA 20 HA ALA 20 -21.003 -17.340 6.708 159 1HB ALA 20 1HB ALA 20 -21.241 -19.876 7.714 160 2HB ALA 20 3HB ALA 20 -22.293 -18.965 8.796 161 3HB ALA 20 2HB ALA 20 -22.577 -18.932 7.055 162 H ASN 21 H ASN 21 -20.692 -17.808 10.273 163 HA ASN 21 HA ASN 21 -22.383 -15.428 10.661 164 1HB ASN 21 2HB ASN 21 -22.256 -15.929 13.036 165 2HB ASN 21 1HB ASN 21 -22.619 -17.407 12.152 166 1HD2 ASN 21 1HD2 ASN 21 -21.346 -17.163 14.798 167 2HD2 ASN 21 2HD2 ASN 21 -19.828 -17.905 14.670 168 H GLY 22 H GLY 22 -18.993 -16.291 10.802 169 1HA GLY 22 1HA GLY 22 -18.365 -13.407 11.034 170 2HA GLY 22 2HA GLY 22 -17.234 -14.667 10.551 171 H ASP 23 H ASP 23 -17.768 -16.444 12.761 172 HA ASP 23 HA ASP 23 -17.072 -14.824 15.145 173 1HB ASP 23 2HB ASP 23 -17.309 -16.924 16.413 174 2HB ASP 23 1HB ASP 23 -18.746 -16.606 15.445 175 H GLY 24 H GLY 24 -15.397 -15.918 12.611 176 1HA GLY 24 1HA GLY 24 -12.913 -16.109 14.204 177 2HA GLY 24 2HA GLY 24 -13.004 -15.843 12.464 178 H LYS 25 H LYS 25 -15.098 -18.347 13.328 179 HA LYS 25 HA LYS 25 -13.026 -20.339 12.525 180 1HB LYS 25 2HB LYS 25 -13.939 -21.944 14.106 181 2HB LYS 25 1HB LYS 25 -13.533 -20.467 14.976 182 1HG LYS 25 2HG LYS 25 -15.810 -19.792 15.088 183 2HG LYS 25 1HG LYS 25 -16.303 -20.985 13.885 184 1HD LYS 25 2HD LYS 25 -15.377 -22.734 15.585 185 2HD LYS 25 1HD LYS 25 -15.502 -21.421 16.758 186 1HE LYS 25 2HE LYS 25 -17.892 -21.693 15.079 187 2HE LYS 25 1HE LYS 25 -17.561 -23.127 16.050 188 1HZ LYS 25 1HZ LYS 25 -17.210 -20.661 17.483 189 2HZ LYS 25 3HZ LYS 25 -18.798 -20.892 16.936 190 3HZ LYS 25 2HZ LYS 25 -18.064 -22.062 17.925 191 H ILE 26 H ILE 26 -13.708 -21.908 11.100 192 HA ILE 26 HA ILE 26 -16.487 -21.596 10.042 193 HB ILE 26 HB ILE 26 -14.215 -22.862 8.530 194 1HG1 ILE 26 2HG1 ILE 26 -14.874 -19.909 8.729 195 2HG1 ILE 26 1HG1 ILE 26 -13.376 -20.682 9.247 196 1HG2 ILE 26 3HG2 ILE 26 -16.599 -23.029 7.744 197 2HG2 ILE 26 2HG2 ILE 26 -16.632 -21.269 7.629 198 3HG2 ILE 26 1HG2 ILE 26 -15.537 -22.199 6.607 199 1HD1 ILE 26 1HD1 ILE 26 -14.099 -21.301 6.473 200 2HD1 ILE 26 3HD1 ILE 26 -13.823 -19.582 6.751 201 3HD1 ILE 26 2HD1 ILE 26 -12.560 -20.751 7.134 202 H SER 27 H SER 27 -17.791 -23.364 10.096 203 HA SER 27 HA SER 27 -16.613 -25.906 11.107 204 1HB SER 27 2HB SER 27 -18.686 -26.383 12.089 205 2HB SER 27 1HB SER 27 -18.599 -24.629 12.258 206 HG SER 27 HG SER 27 -20.357 -26.120 10.878 207 H ALA 28 H ALA 28 -17.715 -27.919 10.176 208 HA ALA 28 HA ALA 28 -17.374 -28.081 7.403 209 1HB ALA 28 2HB ALA 28 -19.472 -29.723 8.822 210 2HB ALA 28 1HB ALA 28 -18.406 -30.210 7.503 211 3HB ALA 28 3HB ALA 28 -17.753 -29.983 9.126 212 H ALA 29 H ALA 29 -20.376 -27.455 9.208 213 HA ALA 29 HA ALA 29 -22.111 -27.293 6.977 214 1HB ALA 29 1HB ALA 29 -22.470 -27.059 9.647 215 2HB ALA 29 2HB ALA 29 -23.672 -26.524 8.472 216 3HB ALA 29 3HB ALA 29 -22.558 -25.359 9.188 217 H GLU 30 H GLU 30 -20.004 -24.837 8.439 218 HA GLU 30 HA GLU 30 -20.927 -22.739 6.657 219 1HB GLU 30 2HB GLU 30 -18.453 -22.951 8.397 220 2HB GLU 30 1HB GLU 30 -18.931 -21.495 7.525 221 1HG GLU 30 2HG GLU 30 -21.096 -21.502 8.749 222 2HG GLU 30 1HG GLU 30 -20.561 -22.916 9.655 223 H LEU 31 H LEU 31 -17.871 -24.598 6.847 224 HA LEU 31 HA LEU 31 -16.811 -23.609 4.392 225 1HB LEU 31 2HB LEU 31 -15.662 -24.978 6.279 226 2HB LEU 31 1HB LEU 31 -16.302 -26.391 5.447 227 HG LEU 31 HG LEU 31 -14.457 -24.284 4.276 228 1HD1 LEU 31 1HD1 LEU 31 -14.099 -27.219 4.954 229 2HD1 LEU 31 3HD1 LEU 31 -12.932 -26.265 4.038 230 3HD1 LEU 31 2HD1 LEU 31 -13.285 -25.852 5.716 231 1HD2 LEU 31 2HD2 LEU 31 -16.052 -26.509 3.046 232 2HD2 LEU 31 1HD2 LEU 31 -15.733 -24.890 2.424 233 3HD2 LEU 31 3HD2 LEU 31 -14.469 -26.118 2.376 234 H GLY 32 H GLY 32 -18.762 -26.488 5.139 235 1HA GLY 32 1HA GLY 32 -20.005 -27.887 3.727 236 2HA GLY 32 2HA GLY 32 -18.822 -27.519 2.474 237 H GLU 33 H GLU 33 -21.025 -25.335 4.227 238 HA GLU 33 HA GLU 33 -22.948 -25.049 2.164 239 1HB GLU 33 2HB GLU 33 -22.076 -23.355 4.481 240 2HB GLU 33 1HB GLU 33 -23.207 -22.693 3.304 241 1HG GLU 33 2HG GLU 33 -23.773 -25.436 4.317 242 2HG GLU 33 1HG GLU 33 -24.030 -24.101 5.441 243 H ALA 34 H ALA 34 -19.933 -23.256 2.769 244 HA ALA 34 HA ALA 34 -20.356 -21.437 0.553 245 1HB ALA 34 1HB ALA 34 -18.823 -20.576 2.087 246 2HB ALA 34 2HB ALA 34 -17.738 -21.232 0.862 247 3HB ALA 34 3HB ALA 34 -18.049 -22.141 2.340 248 H LEU 35 H LEU 35 -18.621 -24.479 1.017 249 HA LEU 35 HA LEU 35 -17.349 -24.608 -1.520 250 1HB LEU 35 2HB LEU 35 -18.102 -26.543 0.600 251 2HB LEU 35 1HB LEU 35 -17.827 -27.222 -1.004 252 HG LEU 35 HG LEU 35 -15.903 -25.477 0.562 253 1HD1 LEU 35 2HD1 LEU 35 -16.174 -28.407 0.041 254 2HD1 LEU 35 1HD1 LEU 35 -14.547 -27.728 0.072 255 3HD1 LEU 35 3HD1 LEU 35 -15.594 -27.573 1.484 256 1HD2 LEU 35 2HD2 LEU 35 -15.963 -26.442 -2.278 257 2HD2 LEU 35 1HD2 LEU 35 -15.436 -24.884 -1.640 258 3HD2 LEU 35 3HD2 LEU 35 -14.409 -26.306 -1.455 259 H LYS 36 H LYS 36 -20.666 -25.316 -0.549 260 HA LYS 36 HA LYS 36 -21.617 -26.894 -2.608 261 1HB LYS 36 2HB LYS 36 -22.744 -24.990 -0.783 262 2HB LYS 36 1HB LYS 36 -23.478 -24.754 -2.369 263 1HG LYS 36 2HG LYS 36 -24.130 -27.072 -2.492 264 2HG LYS 36 1HG LYS 36 -23.200 -27.465 -1.046 265 1HD LYS 36 2HD LYS 36 -24.851 -25.404 -0.195 266 2HD LYS 36 1HD LYS 36 -25.890 -26.331 -1.277 267 1HE LYS 36 2HE LYS 36 -24.348 -28.135 0.360 268 2HE LYS 36 1HE LYS 36 -25.182 -26.970 1.389 269 1HZ LYS 36 3HZ LYS 36 -27.222 -27.477 0.064 270 2HZ LYS 36 2HZ LYS 36 -26.371 -28.764 -0.648 271 3HZ LYS 36 1HZ LYS 36 -26.662 -28.757 1.025 272 H THR 37 H THR 37 -20.428 -23.620 -2.863 273 HA THR 37 HA THR 37 -21.604 -22.742 -5.243 274 HB THR 37 HB THR 37 -19.891 -21.535 -3.764 275 HG1 THR 37 HG1 THR 37 -19.712 -21.549 -6.588 276 1HG2 THR 37 1HG2 THR 37 -18.037 -23.165 -5.519 277 2HG2 THR 37 3HG2 THR 37 -17.527 -21.760 -4.585 278 3HG2 THR 37 2HG2 THR 37 -18.129 -23.196 -3.759 279 H LEU 38 H LEU 38 -19.373 -25.344 -4.740 280 HA LEU 38 HA LEU 38 -18.268 -25.561 -7.360 281 1HB LEU 38 2HB LEU 38 -18.900 -27.673 -5.283 282 2HB LEU 38 1HB LEU 38 -18.017 -28.010 -6.772 283 HG LEU 38 HG LEU 38 -17.208 -26.125 -4.542 284 1HD1 LEU 38 1HD1 LEU 38 -16.679 -28.860 -5.100 285 2HD1 LEU 38 3HD1 LEU 38 -15.197 -27.970 -5.450 286 3HD1 LEU 38 2HD1 LEU 38 -15.940 -27.853 -3.855 287 1HD2 LEU 38 2HD2 LEU 38 -16.295 -26.367 -7.390 288 2HD2 LEU 38 1HD2 LEU 38 -16.502 -24.919 -6.406 289 3HD2 LEU 38 3HD2 LEU 38 -15.112 -25.972 -6.143 290 H GLY 39 H GLY 39 -21.360 -26.581 -6.019 291 1HA GLY 39 1HA GLY 39 -22.505 -26.789 -8.684 292 2HA GLY 39 2HA GLY 39 -23.345 -27.127 -7.170 293 H SER 40 H SER 40 -20.529 -28.861 -7.051 294 HA SER 40 HA SER 40 -21.948 -31.353 -7.696 295 1HB SER 40 2HB SER 40 -21.150 -31.091 -9.873 296 2HB SER 40 1HB SER 40 -19.686 -30.261 -9.341 297 HG SER 40 HG SER 40 -20.237 -32.963 -9.530 298 H ILE 41 H ILE 41 -21.390 -31.061 -5.228 299 HA ILE 41 HA ILE 41 -18.975 -32.693 -4.750 300 HB ILE 41 HB ILE 41 -18.429 -30.162 -4.577 301 1HG1 ILE 41 2HG1 ILE 41 -17.901 -31.808 -2.096 302 2HG1 ILE 41 1HG1 ILE 41 -17.111 -32.139 -3.638 303 1HG2 ILE 41 3HG2 ILE 41 -20.649 -29.979 -3.100 304 2HG2 ILE 41 2HG2 ILE 41 -19.517 -30.358 -1.801 305 3HG2 ILE 41 1HG2 ILE 41 -19.260 -28.932 -2.808 306 1HD1 ILE 41 1HD1 ILE 41 -16.903 -29.344 -3.198 307 2HD1 ILE 41 3HD1 ILE 41 -16.460 -30.129 -1.683 308 3HD1 ILE 41 2HD1 ILE 41 -15.603 -30.535 -3.170 309 H THR 42 H THR 42 -18.924 -33.367 -2.359 310 HA THR 42 HA THR 42 -21.734 -33.656 -1.365 311 HB THR 42 HB THR 42 -21.421 -35.891 -1.213 312 HG1 THR 42 HG1 THR 42 -19.401 -36.632 -0.135 313 1HG2 THR 42 3HG2 THR 42 -20.078 -35.430 -3.306 314 2HG2 THR 42 2HG2 THR 42 -18.628 -35.473 -2.302 315 3HG2 THR 42 1HG2 THR 42 -19.634 -36.914 -2.462 316 HA PRO 43 HA PRO 43 -20.426 -31.918 2.494 317 1HB PRO 43 2HB PRO 43 -21.692 -33.463 4.317 318 2HB PRO 43 1HB PRO 43 -22.543 -32.289 3.310 319 1HG PRO 43 2HG PRO 43 -22.297 -35.254 2.973 320 2HG PRO 43 1HG PRO 43 -23.717 -34.226 2.761 321 1HD PRO 43 1HD PRO 43 -22.246 -35.120 0.666 322 2HD PRO 43 2HD PRO 43 -23.079 -33.564 0.641 323 H ASP 44 H ASP 44 -20.123 -35.407 2.079 324 HA ASP 44 HA ASP 44 -18.355 -35.876 4.289 325 1HB ASP 44 2HB ASP 44 -18.689 -37.377 1.675 326 2HB ASP 44 1HB ASP 44 -17.786 -37.975 3.068 327 H GLU 45 H GLU 45 -17.826 -34.524 1.103 328 HA GLU 45 HA GLU 45 -14.945 -35.028 1.145 329 1HB GLU 45 2HB GLU 45 -16.692 -33.250 -0.584 330 2HB GLU 45 1HB GLU 45 -14.954 -33.438 -0.812 331 1HG GLU 45 2HG GLU 45 -15.376 -35.950 -0.958 332 2HG GLU 45 1HG GLU 45 -17.095 -35.564 -1.055 333 H VAL 46 H VAL 46 -17.167 -32.431 1.969 334 HA VAL 46 HA VAL 46 -15.137 -30.439 2.441 335 HB VAL 46 HB VAL 46 -17.983 -30.725 3.432 336 1HG1 VAL 46 2HG1 VAL 46 -15.854 -28.990 4.357 337 2HG1 VAL 46 1HG1 VAL 46 -17.146 -28.042 3.622 338 3HG1 VAL 46 3HG1 VAL 46 -17.506 -29.136 4.958 339 1HG2 VAL 46 1HG2 VAL 46 -16.881 -29.974 0.958 340 2HG2 VAL 46 3HG2 VAL 46 -18.544 -29.726 1.489 341 3HG2 VAL 46 2HG2 VAL 46 -17.343 -28.459 1.733 342 H LYS 47 H LYS 47 -16.682 -32.911 4.406 343 HA LYS 47 HA LYS 47 -15.676 -32.079 6.952 344 1HB LYS 47 2HB LYS 47 -16.355 -34.850 5.920 345 2HB LYS 47 1HB LYS 47 -16.023 -34.473 7.611 346 1HG LYS 47 2HG LYS 47 -17.894 -32.810 7.555 347 2HG LYS 47 1HG LYS 47 -18.265 -33.337 5.912 348 1HD LYS 47 2HD LYS 47 -18.499 -35.688 6.826 349 2HD LYS 47 1HD LYS 47 -18.379 -34.997 8.444 350 1HE LYS 47 2HE LYS 47 -20.299 -33.434 7.723 351 2HE LYS 47 1HE LYS 47 -20.525 -34.540 6.368 352 1HZ LYS 47 1HZ LYS 47 -20.290 -35.754 9.000 353 2HZ LYS 47 3HZ LYS 47 -21.706 -34.864 8.716 354 3HZ LYS 47 2HZ LYS 47 -21.302 -36.164 7.699 355 H HIS 48 H HIS 48 -14.327 -34.156 4.422 356 HA HIS 48 HA HIS 48 -11.987 -34.950 5.883 357 1HB HIS 48 2HB HIS 48 -12.702 -36.127 3.851 358 2HB HIS 48 1HB HIS 48 -12.421 -34.673 2.894 359 HD1 HIS 48 HD1 HIS 48 -10.440 -35.429 1.502 360 HD2 HIS 48 HD2 HIS 48 -9.858 -36.077 5.579 361 HE1 HIS 48 HE1 HIS 48 -8.023 -36.137 1.777 362 H MET 49 H MET 49 -12.684 -32.193 3.747 363 HA MET 49 HA MET 49 -10.046 -31.152 3.604 364 1HB MET 49 2HB MET 49 -12.795 -29.970 3.377 365 2HB MET 49 1HB MET 49 -11.399 -28.900 3.443 366 1HG MET 49 2HG MET 49 -10.439 -30.544 1.612 367 2HG MET 49 1HG MET 49 -12.142 -30.920 1.354 368 1HE MET 49 1HE MET 49 -12.372 -30.275 -0.842 369 2HE MET 49 3HE MET 49 -13.738 -29.443 -0.088 370 3HE MET 49 2HE MET 49 -12.793 -28.639 -1.340 371 H MET 50 H MET 50 -12.658 -30.569 5.939 372 HA MET 50 HA MET 50 -11.238 -28.699 7.558 373 1HB MET 50 2HB MET 50 -13.518 -30.600 8.074 374 2HB MET 50 1HB MET 50 -12.846 -29.617 9.370 375 1HG MET 50 2HG MET 50 -13.159 -27.619 7.767 376 2HG MET 50 1HG MET 50 -14.194 -28.698 6.832 377 1HE MET 50 2HE MET 50 -13.197 -27.227 9.955 378 2HE MET 50 1HE MET 50 -14.662 -26.705 10.782 379 3HE MET 50 3HE MET 50 -14.017 -28.327 11.061 380 H ALA 51 H ALA 51 -11.618 -32.229 7.855 381 HA ALA 51 HA ALA 51 -10.010 -32.574 10.164 382 1HB ALA 51 1HB ALA 51 -11.414 -34.258 8.528 383 2HB ALA 51 3HB ALA 51 -9.755 -34.673 8.097 384 3HB ALA 51 2HB ALA 51 -10.289 -34.804 9.772 385 H GLU 52 H GLU 52 -9.142 -31.718 6.941 386 HA GLU 52 HA GLU 52 -6.294 -32.447 7.418 387 1HB GLU 52 2HB GLU 52 -7.891 -31.700 4.979 388 2HB GLU 52 1HB GLU 52 -6.135 -31.536 4.968 389 1HG GLU 52 2HG GLU 52 -6.114 -33.971 5.868 390 2HG GLU 52 1HG GLU 52 -7.788 -34.036 5.315 391 H ILE 53 H ILE 53 -8.418 -29.687 6.858 392 HA ILE 53 HA ILE 53 -6.210 -27.767 6.924 393 HB ILE 53 HB ILE 53 -9.209 -27.368 7.044 394 1HG1 ILE 53 2HG1 ILE 53 -7.276 -27.116 4.726 395 2HG1 ILE 53 1HG1 ILE 53 -8.360 -28.481 4.978 396 1HG2 ILE 53 2HG2 ILE 53 -7.737 -25.509 7.942 397 2HG2 ILE 53 1HG2 ILE 53 -7.047 -25.378 6.324 398 3HG2 ILE 53 3HG2 ILE 53 -8.762 -25.057 6.579 399 1HD1 ILE 53 2HD1 ILE 53 -9.489 -25.702 4.961 400 2HD1 ILE 53 1HD1 ILE 53 -9.105 -26.484 3.427 401 3HD1 ILE 53 3HD1 ILE 53 -10.266 -27.226 4.527 402 H ASP 54 H ASP 54 -8.624 -29.036 9.154 403 HA ASP 54 HA ASP 54 -8.376 -27.130 11.237 404 1HB ASP 54 2HB ASP 54 -9.971 -29.194 10.892 405 2HB ASP 54 1HB ASP 54 -8.726 -30.064 11.775 406 H THR 55 H THR 55 -6.279 -26.533 11.773 407 HA THR 55 HA THR 55 -4.056 -28.335 11.891 408 HB THR 55 HB THR 55 -2.923 -26.483 13.113 409 HG1 THR 55 HG1 THR 55 -4.141 -25.159 14.156 410 1HG2 THR 55 1HG2 THR 55 -4.477 -26.040 10.590 411 2HG2 THR 55 3HG2 THR 55 -3.568 -24.694 11.278 412 3HG2 THR 55 2HG2 THR 55 -2.733 -26.179 10.819 413 H ASP 56 H ASP 56 -6.124 -27.004 14.473 414 HA ASP 56 HA ASP 56 -4.765 -28.735 16.441 415 1HB ASP 56 2HB ASP 56 -5.918 -27.528 18.110 416 2HB ASP 56 1HB ASP 56 -5.589 -26.319 16.871 417 H GLY 57 H GLY 57 -7.963 -28.402 14.950 418 1HA GLY 57 1HA GLY 57 -8.481 -31.237 15.711 419 2HA GLY 57 2HA GLY 57 -9.244 -30.404 14.360 420 H ASP 58 H ASP 58 -9.775 -27.969 16.026 421 HA ASP 58 HA ASP 58 -11.532 -28.902 18.179 422 1HB ASP 58 2HB ASP 58 -12.034 -26.574 18.551 423 2HB ASP 58 1HB ASP 58 -10.306 -26.684 18.224 424 H GLY 59 H GLY 59 -11.797 -28.892 14.873 425 1HA GLY 59 1HA GLY 59 -14.761 -28.939 15.071 426 2HA GLY 59 2HA GLY 59 -13.813 -29.695 13.791 427 H PHE 60 H PHE 60 -12.492 -26.684 14.376 428 HA PHE 60 HA PHE 60 -14.004 -25.570 12.071 429 1HB PHE 60 2HB PHE 60 -13.246 -23.909 14.474 430 2HB PHE 60 1HB PHE 60 -14.263 -23.441 13.110 431 HD1 PHE 60 HD1 PHE 60 -16.521 -24.375 12.836 432 HD2 PHE 60 HD2 PHE 60 -14.102 -25.299 16.259 433 HE1 PHE 60 HE1 PHE 60 -18.520 -25.232 14.018 434 HE2 PHE 60 HE2 PHE 60 -16.101 -26.156 17.443 435 HZ PHE 60 HZ PHE 60 -18.314 -26.125 16.323 436 H ILE 61 H ILE 61 -12.900 -23.925 10.886 437 HA ILE 61 HA ILE 61 -9.941 -24.050 11.172 438 HB ILE 61 HB ILE 61 -11.509 -23.236 8.716 439 1HG1 ILE 61 2HG1 ILE 61 -12.127 -25.542 9.351 440 2HG1 ILE 61 1HG1 ILE 61 -11.139 -25.532 7.889 441 1HG2 ILE 61 1HG2 ILE 61 -9.074 -22.600 8.965 442 2HG2 ILE 61 3HG2 ILE 61 -8.696 -24.322 9.012 443 3HG2 ILE 61 2HG2 ILE 61 -9.422 -23.617 7.567 444 1HD1 ILE 61 3HD1 ILE 61 -9.123 -25.873 9.442 445 2HD1 ILE 61 2HD1 ILE 61 -10.299 -26.248 10.703 446 3HD1 ILE 61 1HD1 ILE 61 -10.211 -27.250 9.252 447 H SER 62 H SER 62 -8.930 -22.120 11.644 448 HA SER 62 HA SER 62 -10.625 -19.685 11.737 449 1HB SER 62 2HB SER 62 -7.829 -19.992 12.851 450 2HB SER 62 1HB SER 62 -9.051 -18.800 13.296 451 HG SER 62 HG SER 62 -9.352 -21.593 13.650 452 H PHE 63 H PHE 63 -9.388 -17.621 11.101 453 HA PHE 63 HA PHE 63 -8.625 -17.763 8.385 454 1HB PHE 63 2HB PHE 63 -9.256 -15.639 9.506 455 2HB PHE 63 1HB PHE 63 -7.743 -15.686 10.415 456 HD1 PHE 63 HD1 PHE 63 -8.724 -16.338 6.858 457 HD2 PHE 63 HD2 PHE 63 -6.143 -14.219 9.556 458 HE1 PHE 63 HE1 PHE 63 -7.541 -15.329 4.931 459 HE2 PHE 63 HE2 PHE 63 -4.953 -13.213 7.627 460 HZ PHE 63 HZ PHE 63 -5.659 -13.766 5.312 461 H GLN 64 H GLN 64 -6.634 -17.741 11.319 462 HA GLN 64 HA GLN 64 -4.091 -17.768 10.053 463 1HB GLN 64 2HB GLN 64 -4.546 -17.442 12.514 464 2HB GLN 64 1HB GLN 64 -4.851 -19.174 12.630 465 1HG GLN 64 2HG GLN 64 -2.539 -18.782 13.246 466 2HG GLN 64 1HG GLN 64 -2.554 -19.569 11.669 467 1HE2 GLN 64 1HE2 GLN 64 -1.016 -18.611 10.336 468 2HE2 GLN 64 2HE2 GLN 64 -0.674 -16.950 10.272 469 H GLU 65 H GLU 65 -6.150 -20.490 11.147 470 HA GLU 65 HA GLU 65 -4.432 -22.571 10.254 471 1HB GLU 65 2HB GLU 65 -7.423 -22.410 10.642 472 2HB GLU 65 1HB GLU 65 -6.624 -23.894 10.142 473 1HG GLU 65 2HG GLU 65 -5.199 -23.808 12.160 474 2HG GLU 65 1HG GLU 65 -6.008 -22.326 12.664 475 H PHE 66 H PHE 66 -7.149 -20.938 8.632 476 HA PHE 66 HA PHE 66 -6.961 -22.398 6.179 477 1HB PHE 66 2HB PHE 66 -8.919 -21.012 6.769 478 2HB PHE 66 1HB PHE 66 -7.926 -19.560 6.654 479 HD1 PHE 66 HD1 PHE 66 -7.028 -18.815 4.468 480 HD2 PHE 66 HD2 PHE 66 -9.670 -22.186 4.796 481 HE1 PHE 66 HE1 PHE 66 -7.449 -18.724 2.025 482 HE2 PHE 66 HE2 PHE 66 -10.090 -22.095 2.353 483 HZ PHE 66 HZ PHE 66 -8.980 -20.363 0.969 484 H THR 67 H THR 67 -5.261 -19.577 7.416 485 HA THR 67 HA THR 67 -4.045 -18.809 4.918 486 HB THR 67 HB THR 67 -3.157 -18.351 7.784 487 HG1 THR 67 HG1 THR 67 -4.218 -16.451 7.565 488 1HG2 THR 67 1HG2 THR 67 -1.611 -18.085 5.514 489 2HG2 THR 67 3HG2 THR 67 -2.286 -16.467 5.709 490 3HG2 THR 67 2HG2 THR 67 -1.363 -17.203 7.020 491 H ASP 68 H ASP 68 -2.858 -20.752 7.678 492 HA ASP 68 HA ASP 68 -0.328 -21.399 6.559 493 1HB ASP 68 2HB ASP 68 -2.051 -23.100 8.387 494 2HB ASP 68 1HB ASP 68 -0.316 -23.287 8.133 495 H PHE 69 H PHE 69 -3.510 -22.891 6.151 496 HA PHE 69 HA PHE 69 -2.466 -25.082 4.534 497 1HB PHE 69 2HB PHE 69 -4.428 -25.786 5.504 498 2HB PHE 69 1HB PHE 69 -5.110 -24.165 5.541 499 HD1 PHE 69 HD1 PHE 69 -5.842 -23.128 3.314 500 HD2 PHE 69 HD2 PHE 69 -5.087 -27.318 3.840 501 HE1 PHE 69 HE1 PHE 69 -7.173 -23.623 1.275 502 HE2 PHE 69 HE2 PHE 69 -6.410 -27.817 1.805 503 HZ PHE 69 HZ PHE 69 -7.457 -25.970 0.522 504 H GLY 70 H GLY 70 -3.995 -21.944 3.984 505 1HA GLY 70 1HA GLY 70 -4.141 -20.644 2.036 506 2HA GLY 70 2HA GLY 70 -4.418 -22.163 1.183 507 H ARG 71 H ARG 71 -1.513 -21.596 3.056 508 HA ARG 71 HA ARG 71 0.112 -20.685 0.837 509 1HB ARG 71 2HB ARG 71 0.865 -21.935 3.496 510 2HB ARG 71 1HB ARG 71 2.023 -21.246 2.359 511 1HG ARG 71 2HG ARG 71 0.781 -19.075 2.489 512 2HG ARG 71 1HG ARG 71 -0.250 -19.782 3.733 513 1HD ARG 71 2HD ARG 71 2.762 -19.457 3.896 514 2HD ARG 71 1HD ARG 71 1.569 -18.495 4.769 515 HE ARG 71 HE ARG 71 1.162 -21.279 5.335 516 1HH1 ARG 71 1HH1 ARG 71 3.897 -19.289 5.556 517 2HH1 ARG 71 2HH1 ARG 71 4.168 -19.576 7.242 518 1HH2 ARG 71 1HH2 ARG 71 1.235 -21.374 7.679 519 2HH2 ARG 71 2HH2 ARG 71 2.659 -20.755 8.445 520 H ALA 72 H ALA 72 -0.721 -23.816 2.200 521 HA ALA 72 HA ALA 72 1.240 -25.354 0.759 522 1HB ALA 72 3HB ALA 72 0.378 -26.901 2.153 523 2HB ALA 72 1HB ALA 72 -1.060 -26.953 1.132 524 3HB ALA 72 2HB ALA 72 -1.000 -25.859 2.514 525 H ASN 73 H ASN 73 -1.732 -23.843 -0.149 526 HA ASN 73 HA ASN 73 -1.390 -24.881 -2.902 527 1HB ASN 73 2HB ASN 73 -4.133 -24.882 -1.639 528 2HB ASN 73 1HB ASN 73 -3.607 -25.680 -3.122 529 1HD2 ASN 73 1HD2 ASN 73 -4.080 -26.129 0.250 530 2HD2 ASN 73 2HD2 ASN 73 -3.298 -27.628 0.392 531 H ARG 74 H ARG 74 -0.646 -22.420 -2.398 532 HA ARG 74 HA ARG 74 -2.502 -20.331 -2.160 533 1HB ARG 74 2HB ARG 74 0.042 -20.514 -3.793 534 2HB ARG 74 1HB ARG 74 -0.871 -19.016 -3.611 535 1HG ARG 74 2HG ARG 74 -0.703 -19.366 -1.092 536 2HG ARG 74 1HG ARG 74 0.460 -20.646 -1.437 537 1HD ARG 74 2HD ARG 74 0.702 -17.731 -2.240 538 2HD ARG 74 1HD ARG 74 1.658 -18.560 -1.011 539 HE ARG 74 HE ARG 74 2.104 -20.052 -3.298 540 1HH1 ARG 74 1HH1 ARG 74 1.666 -17.649 -4.937 541 2HH1 ARG 74 2HH1 ARG 74 3.223 -16.889 -4.946 542 1HH2 ARG 74 1HH2 ARG 74 4.404 -18.679 -2.221 543 2HH2 ARG 74 2HH2 ARG 74 4.773 -17.472 -3.406 544 H GLY 75 H GLY 75 -1.639 -22.254 -4.987 545 1HA GLY 75 1HA GLY 75 -2.681 -22.462 -7.064 546 2HA GLY 75 2HA GLY 75 -3.097 -20.753 -6.927 547 H LEU 76 H LEU 76 -4.090 -23.069 -4.501 548 HA LEU 76 HA LEU 76 -6.682 -23.659 -5.617 549 1HB LEU 76 2HB LEU 76 -5.474 -23.898 -2.867 550 2HB LEU 76 1HB LEU 76 -7.184 -24.235 -3.134 551 HG LEU 76 HG LEU 76 -4.870 -25.573 -4.569 552 1HD1 LEU 76 1HD1 LEU 76 -6.065 -26.078 -2.041 553 2HD1 LEU 76 3HD1 LEU 76 -6.639 -27.335 -3.138 554 3HD1 LEU 76 2HD1 LEU 76 -4.909 -27.091 -2.905 555 1HD2 LEU 76 2HD2 LEU 76 -7.708 -25.327 -5.169 556 2HD2 LEU 76 1HD2 LEU 76 -6.417 -26.019 -6.152 557 3HD2 LEU 76 3HD2 LEU 76 -7.239 -27.013 -4.950 558 H LEU 77 H LEU 77 -5.573 -21.320 -3.181 559 HA LEU 77 HA LEU 77 -8.194 -20.204 -2.731 560 1HB LEU 77 2HB LEU 77 -5.647 -18.659 -2.311 561 2HB LEU 77 1HB LEU 77 -7.123 -18.643 -1.346 562 HG LEU 77 HG LEU 77 -5.012 -20.805 -1.481 563 1HD1 LEU 77 3HD1 LEU 77 -5.805 -18.700 0.382 564 2HD1 LEU 77 2HD1 LEU 77 -5.774 -20.288 1.147 565 3HD1 LEU 77 1HD1 LEU 77 -4.330 -19.666 0.348 566 1HD2 LEU 77 2HD2 LEU 77 -7.838 -20.924 -0.397 567 2HD2 LEU 77 1HD2 LEU 77 -7.106 -21.987 -1.598 568 3HD2 LEU 77 3HD2 LEU 77 -6.574 -22.058 0.081 569 H LYS 78 H LYS 78 -5.837 -19.784 -5.228 570 HA LYS 78 HA LYS 78 -6.766 -17.127 -6.017 571 1HB LYS 78 2HB LYS 78 -4.992 -19.175 -7.373 572 2HB LYS 78 1HB LYS 78 -5.363 -17.597 -8.068 573 1HG LYS 78 2HG LYS 78 -4.533 -16.605 -5.849 574 2HG LYS 78 1HG LYS 78 -3.875 -18.204 -5.507 575 1HD LYS 78 2HD LYS 78 -3.243 -16.560 -7.978 576 2HD LYS 78 1HD LYS 78 -2.194 -16.706 -6.568 577 1HE LYS 78 2HE LYS 78 -1.808 -19.013 -6.956 578 2HE LYS 78 1HE LYS 78 -3.178 -19.141 -8.060 579 1HZ LYS 78 1HZ LYS 78 -1.158 -17.208 -8.813 580 2HZ LYS 78 3HZ LYS 78 -0.646 -18.825 -8.848 581 3HZ LYS 78 2HZ LYS 78 -1.991 -18.342 -9.766 582 H ASP 79 H ASP 79 -7.575 -20.450 -6.745 583 HA ASP 79 HA ASP 79 -9.215 -19.651 -9.072 584 1HB ASP 79 2HB ASP 79 -7.928 -21.757 -9.174 585 2HB ASP 79 1HB ASP 79 -8.815 -22.359 -7.773 586 H VAL 80 H VAL 80 -9.645 -21.005 -5.815 587 HA VAL 80 HA VAL 80 -12.471 -21.267 -5.895 588 HB VAL 80 HB VAL 80 -10.767 -22.041 -4.093 589 1HG1 VAL 80 1HG1 VAL 80 -9.863 -19.802 -3.598 590 2HG1 VAL 80 3HG1 VAL 80 -11.459 -19.279 -3.055 591 3HG1 VAL 80 2HG1 VAL 80 -10.586 -20.524 -2.159 592 1HG2 VAL 80 2HG2 VAL 80 -13.573 -21.121 -3.801 593 2HG2 VAL 80 1HG2 VAL 80 -12.880 -22.720 -3.529 594 3HG2 VAL 80 3HG2 VAL 80 -12.710 -21.464 -2.302 595 H ALA 81 H ALA 81 -10.421 -18.568 -4.893 596 HA ALA 81 HA ALA 81 -12.338 -16.746 -4.005 597 1HB ALA 81 2HB ALA 81 -10.497 -15.336 -5.700 598 2HB ALA 81 3HB ALA 81 -9.632 -16.622 -4.859 599 3HB ALA 81 1HB ALA 81 -10.528 -15.414 -3.937 600 H LYS 82 H LYS 82 -11.498 -17.547 -7.353 601 HA LYS 82 HA LYS 82 -13.171 -15.518 -8.539 602 1HB LYS 82 2HB LYS 82 -12.298 -18.162 -9.742 603 2HB LYS 82 1HB LYS 82 -12.830 -16.728 -10.621 604 1HG LYS 82 2HG LYS 82 -10.906 -15.466 -9.690 605 2HG LYS 82 1HG LYS 82 -10.367 -16.925 -8.859 606 1HD LYS 82 2HD LYS 82 -10.186 -18.078 -11.058 607 2HD LYS 82 1HD LYS 82 -10.650 -16.578 -11.860 608 1HE LYS 82 2HE LYS 82 -8.405 -16.392 -9.920 609 2HE LYS 82 1HE LYS 82 -8.072 -17.264 -11.415 610 1HZ LYS 82 1HZ LYS 82 -9.455 -14.681 -11.554 611 2HZ LYS 82 3HZ LYS 82 -7.780 -14.694 -11.293 612 3HZ LYS 82 2HZ LYS 82 -8.425 -15.418 -12.688 613 H ILE 83 H ILE 83 -13.773 -18.687 -7.228 614 HA ILE 83 HA ILE 83 -16.229 -19.254 -8.583 615 HB ILE 83 HB ILE 83 -15.471 -20.054 -5.761 616 1HG1 ILE 83 2HG1 ILE 83 -14.716 -21.243 -8.444 617 2HG1 ILE 83 1HG1 ILE 83 -13.625 -20.631 -7.203 618 1HG2 ILE 83 3HG2 ILE 83 -17.360 -21.150 -7.854 619 2HG2 ILE 83 2HG2 ILE 83 -16.827 -22.103 -6.470 620 3HG2 ILE 83 1HG2 ILE 83 -17.747 -20.621 -6.218 621 1HD1 ILE 83 2HD1 ILE 83 -15.224 -22.525 -5.886 622 2HD1 ILE 83 1HD1 ILE 83 -14.835 -23.262 -7.441 623 3HD1 ILE 83 3HD1 ILE 83 -13.540 -22.726 -6.369 624 H PHE 84 H PHE 84 -15.556 -17.615 -5.500 625 HA PHE 84 HA PHE 84 -18.397 -16.961 -5.140 626 1HB PHE 84 2HB PHE 84 -15.923 -16.123 -3.597 627 2HB PHE 84 1HB PHE 84 -17.578 -15.727 -3.129 628 HD1 PHE 84 HD1 PHE 84 -15.218 -18.540 -3.735 629 HD2 PHE 84 HD2 PHE 84 -18.978 -17.329 -2.049 630 HE1 PHE 84 HE1 PHE 84 -15.433 -20.749 -2.629 631 HE2 PHE 84 HE2 PHE 84 -19.195 -19.538 -0.944 632 HZ PHE 84 HZ PHE 84 -17.421 -21.249 -1.234 No H/Q in entry = 632 Start of MODEL 6 1 H1 ALA 1 3H ALA 1 9.959 -13.507 0.373 2 H2 ALA 1 2H ALA 1 11.255 -14.601 0.276 3 H3 ALA 1 1H ALA 1 10.965 -13.510 -0.993 4 HA ALA 1 HA ALA 1 10.190 -15.668 -1.650 5 1HB ALA 1 2HB ALA 1 9.693 -16.932 0.203 6 2HB ALA 1 3HB ALA 1 8.063 -16.351 -0.140 7 3HB ALA 1 1HB ALA 1 9.040 -15.556 1.094 8 H ASP 2 H ASP 2 7.686 -16.085 -2.261 9 HA ASP 2 HA ASP 2 6.755 -13.492 -3.315 10 1HB ASP 2 2HB ASP 2 5.179 -14.859 -4.630 11 2HB ASP 2 1HB ASP 2 6.827 -15.462 -4.804 12 H ASP 3 H ASP 3 6.398 -14.847 -0.421 13 HA ASP 3 HA ASP 3 3.462 -14.559 -0.192 14 1HB ASP 3 2HB ASP 3 4.796 -16.396 0.976 15 2HB ASP 3 1HB ASP 3 5.430 -15.134 2.033 16 H HIS 4 H HIS 4 2.746 -12.487 0.003 17 HA HIS 4 HA HIS 4 4.291 -10.661 1.802 18 1HB HIS 4 2HB HIS 4 2.630 -9.188 -0.040 19 2HB HIS 4 1HB HIS 4 4.375 -9.102 0.176 20 HD1 HIS 4 HD1 HIS 4 1.726 -10.667 -1.953 21 HD2 HIS 4 HD2 HIS 4 5.882 -10.731 -1.639 22 HE1 HIS 4 HE1 HIS 4 2.586 -11.794 -4.052 23 HA PRO 5 HA PRO 5 0.582 -9.821 4.076 24 1HB PRO 5 2HB PRO 5 0.350 -7.126 4.111 25 2HB PRO 5 1HB PRO 5 1.574 -7.996 5.039 26 1HG PRO 5 2HG PRO 5 1.831 -6.598 2.402 27 2HG PRO 5 1HG PRO 5 2.926 -6.562 3.788 28 1HD PRO 5 1HD PRO 5 3.414 -8.108 1.634 29 2HD PRO 5 2HD PRO 5 3.864 -8.615 3.263 30 H GLN 6 H GLN 6 0.796 -8.422 0.877 31 HA GLN 6 HA GLN 6 -1.898 -7.502 0.624 32 1HB GLN 6 2HB GLN 6 0.258 -8.333 -1.292 33 2HB GLN 6 1HB GLN 6 -1.377 -8.076 -1.897 34 1HG GLN 6 2HG GLN 6 -1.390 -5.804 -1.235 35 2HG GLN 6 1HG GLN 6 -0.015 -6.026 -0.153 36 1HE2 GLN 6 1HE2 GLN 6 2.106 -6.686 -1.330 37 2HE2 GLN 6 2HE2 GLN 6 2.393 -5.987 -2.850 38 H ASP 7 H ASP 7 -0.388 -10.661 0.120 39 HA ASP 7 HA ASP 7 -2.620 -11.968 -1.072 40 1HB ASP 7 2HB ASP 7 -0.410 -13.033 0.707 41 2HB ASP 7 1HB ASP 7 -1.582 -14.064 -0.114 42 H LYS 8 H LYS 8 -1.726 -11.491 2.327 43 HA LYS 8 HA LYS 8 -3.703 -13.048 3.567 44 1HB LYS 8 2HB LYS 8 -2.266 -10.532 4.304 45 2HB LYS 8 1HB LYS 8 -3.646 -11.019 5.289 46 1HG LYS 8 2HG LYS 8 -2.460 -13.383 5.201 47 2HG LYS 8 1HG LYS 8 -1.025 -12.411 4.873 48 1HD LYS 8 2HD LYS 8 -1.622 -11.027 6.911 49 2HD LYS 8 1HD LYS 8 -2.855 -12.233 7.281 50 1HE LYS 8 2HE LYS 8 -1.322 -13.721 8.038 51 2HE LYS 8 1HE LYS 8 -0.233 -13.409 6.686 52 1HZ LYS 8 3HZ LYS 8 -0.238 -11.121 8.244 53 2HZ LYS 8 2HZ LYS 8 -0.106 -12.422 9.329 54 3HZ LYS 8 1HZ LYS 8 1.020 -12.245 8.069 55 H ALA 9 H ALA 9 -3.968 -9.836 2.118 56 HA ALA 9 HA ALA 9 -6.581 -9.191 3.022 57 1HB ALA 9 1HB ALA 9 -5.248 -8.529 0.378 58 2HB ALA 9 3HB ALA 9 -6.712 -7.758 0.986 59 3HB ALA 9 2HB ALA 9 -5.185 -7.552 1.844 60 H GLU 10 H GLU 10 -5.502 -10.963 0.143 61 HA GLU 10 HA GLU 10 -8.161 -11.535 -0.813 62 1HB GLU 10 2HB GLU 10 -5.663 -13.183 -1.296 63 2HB GLU 10 1HB GLU 10 -7.098 -13.095 -2.317 64 1HG GLU 10 2HG GLU 10 -6.634 -10.647 -2.647 65 2HG GLU 10 1HG GLU 10 -5.121 -10.862 -1.767 66 H ARG 11 H ARG 11 -5.885 -13.248 1.283 67 HA ARG 11 HA ARG 11 -7.442 -15.645 1.573 68 1HB ARG 11 2HB ARG 11 -5.363 -14.343 3.346 69 2HB ARG 11 1HB ARG 11 -6.080 -15.914 3.695 70 1HG ARG 11 2HG ARG 11 -5.371 -16.538 1.279 71 2HG ARG 11 1HG ARG 11 -4.330 -15.118 1.371 72 1HD ARG 11 2HD ARG 11 -3.550 -16.153 3.642 73 2HD ARG 11 1HD ARG 11 -4.224 -17.649 2.994 74 HE ARG 11 HE ARG 11 -1.912 -16.167 1.860 75 1HH1 ARG 11 1HH1 ARG 11 -4.360 -18.460 1.239 76 2HH1 ARG 11 2HH1 ARG 11 -3.312 -19.584 0.439 77 1HH2 ARG 11 1HH2 ARG 11 -0.432 -17.767 1.090 78 2HH2 ARG 11 2HH2 ARG 11 -1.088 -19.191 0.355 79 H GLU 12 H GLU 12 -7.318 -12.611 3.382 80 HA GLU 12 HA GLU 12 -9.128 -13.390 5.463 81 1HB GLU 12 2HB GLU 12 -8.155 -10.776 4.354 82 2HB GLU 12 1HB GLU 12 -9.513 -10.779 5.476 83 1HG GLU 12 2HG GLU 12 -8.074 -12.203 7.024 84 2HG GLU 12 1HG GLU 12 -6.720 -11.845 5.951 85 H ARG 13 H ARG 13 -9.608 -11.873 2.293 86 HA ARG 13 HA ARG 13 -12.441 -11.469 2.600 87 1HB ARG 13 2HB ARG 13 -10.791 -11.832 0.080 88 2HB ARG 13 1HB ARG 13 -12.443 -11.215 0.137 89 1HG ARG 13 2HG ARG 13 -11.768 -9.267 1.347 90 2HG ARG 13 1HG ARG 13 -10.174 -9.939 1.679 91 1HD ARG 13 2HD ARG 13 -9.809 -8.426 -0.110 92 2HD ARG 13 1HD ARG 13 -9.874 -10.010 -0.884 93 HE ARG 13 HE ARG 13 -12.508 -8.970 -0.879 94 1HH1 ARG 13 1HH1 ARG 13 -9.425 -8.687 -2.371 95 2HH1 ARG 13 2HH1 ARG 13 -10.004 -7.747 -3.706 96 1HH2 ARG 13 1HH2 ARG 13 -13.259 -7.580 -2.521 97 2HH2 ARG 13 2HH2 ARG 13 -12.174 -7.121 -3.791 98 H ILE 14 H ILE 14 -10.483 -14.110 1.278 99 HA ILE 14 HA ILE 14 -12.748 -15.686 0.415 100 HB ILE 14 HB ILE 14 -9.959 -16.627 1.150 101 1HG1 ILE 14 2HG1 ILE 14 -10.877 -16.044 -1.647 102 2HG1 ILE 14 1HG1 ILE 14 -10.317 -14.717 -0.632 103 1HG2 ILE 14 1HG2 ILE 14 -12.249 -17.800 -0.435 104 2HG2 ILE 14 3HG2 ILE 14 -10.590 -18.359 -0.647 105 3HG2 ILE 14 2HG2 ILE 14 -11.381 -18.519 0.920 106 1HD1 ILE 14 1HD1 ILE 14 -8.489 -16.901 -0.339 107 2HD1 ILE 14 3HD1 ILE 14 -8.742 -16.621 -2.062 108 3HD1 ILE 14 2HD1 ILE 14 -8.181 -15.307 -1.027 109 H PHE 15 H PHE 15 -10.679 -15.711 3.326 110 HA PHE 15 HA PHE 15 -12.038 -17.890 4.599 111 1HB PHE 15 2HB PHE 15 -9.818 -17.077 5.340 112 2HB PHE 15 1HB PHE 15 -10.556 -15.568 5.881 113 HD1 PHE 15 HD1 PHE 15 -12.043 -15.531 7.842 114 HD2 PHE 15 HD2 PHE 15 -10.215 -19.180 6.506 115 HE1 PHE 15 HE1 PHE 15 -12.662 -16.626 9.982 116 HE2 PHE 15 HE2 PHE 15 -10.831 -20.274 8.644 117 HZ PHE 15 HZ PHE 15 -12.058 -19.000 10.382 118 H LYS 16 H LYS 16 -12.601 -14.406 4.530 119 HA LYS 16 HA LYS 16 -14.624 -14.359 6.571 120 1HB LYS 16 2HB LYS 16 -13.885 -12.546 4.285 121 2HB LYS 16 1HB LYS 16 -15.361 -12.250 5.202 122 1HG LYS 16 2HG LYS 16 -13.977 -12.301 7.305 123 2HG LYS 16 1HG LYS 16 -12.536 -12.391 6.292 124 1HD LYS 16 2HD LYS 16 -13.300 -10.270 5.159 125 2HD LYS 16 1HD LYS 16 -14.580 -10.155 6.367 126 1HE LYS 16 2HE LYS 16 -13.093 -9.712 8.097 127 2HE LYS 16 1HE LYS 16 -11.755 -10.533 7.294 128 1HZ LYS 16 2HZ LYS 16 -12.950 -7.946 6.454 129 2HZ LYS 16 1HZ LYS 16 -11.469 -8.133 7.267 130 3HZ LYS 16 3HZ LYS 16 -11.652 -8.734 5.692 131 H ARG 17 H ARG 17 -14.655 -15.153 3.152 132 HA ARG 17 HA ARG 17 -17.532 -15.064 2.849 133 1HB ARG 17 2HB ARG 17 -15.318 -16.392 1.272 134 2HB ARG 17 1HB ARG 17 -17.017 -16.541 0.821 135 1HG ARG 17 2HG ARG 17 -17.092 -13.971 0.922 136 2HG ARG 17 1HG ARG 17 -15.331 -14.037 0.947 137 1HD ARG 17 2HD ARG 17 -15.477 -15.487 -1.142 138 2HD ARG 17 1HD ARG 17 -17.187 -15.063 -1.212 139 HE ARG 17 HE ARG 17 -16.446 -12.668 -1.417 140 1HH1 ARG 17 1HH1 ARG 17 -13.621 -14.290 -0.933 141 2HH1 ARG 17 2HH1 ARG 17 -12.833 -13.773 -2.387 142 1HH2 ARG 17 1HH2 ARG 17 -15.703 -12.401 -3.768 143 2HH2 ARG 17 2HH2 ARG 17 -14.012 -12.704 -3.992 144 H PHE 18 H PHE 18 -15.197 -17.528 3.809 145 HA PHE 18 HA PHE 18 -17.109 -19.708 3.783 146 1HB PHE 18 2HB PHE 18 -14.366 -19.328 4.974 147 2HB PHE 18 1HB PHE 18 -15.312 -20.777 5.313 148 HD1 PHE 18 HD1 PHE 18 -16.272 -22.066 3.277 149 HD2 PHE 18 HD2 PHE 18 -13.114 -19.168 2.989 150 HE1 PHE 18 HE1 PHE 18 -15.598 -23.017 1.087 151 HE2 PHE 18 HE2 PHE 18 -12.441 -20.120 0.800 152 HZ PHE 18 HZ PHE 18 -13.683 -22.044 -0.151 153 H ASP 19 H ASP 19 -15.732 -17.681 6.376 154 HA ASP 19 HA ASP 19 -17.205 -18.848 8.515 155 1HB ASP 19 2HB ASP 19 -15.279 -17.070 8.553 156 2HB ASP 19 1HB ASP 19 -16.593 -15.898 8.434 157 H ALA 20 H ALA 20 -19.402 -19.147 8.209 158 HA ALA 20 HA ALA 20 -21.078 -17.349 6.748 159 1HB ALA 20 2HB ALA 20 -21.440 -19.845 7.385 160 2HB ALA 20 1HB ALA 20 -22.118 -19.199 8.879 161 3HB ALA 20 3HB ALA 20 -22.843 -18.777 7.327 162 H ASN 21 H ASN 21 -20.823 -17.846 10.315 163 HA ASN 21 HA ASN 21 -22.501 -15.451 10.683 164 1HB ASN 21 2HB ASN 21 -22.437 -15.973 13.058 165 2HB ASN 21 1HB ASN 21 -22.805 -17.437 12.152 166 1HD2 ASN 21 1HD2 ASN 21 -21.593 -17.243 14.828 167 2HD2 ASN 21 2HD2 ASN 21 -20.084 -18.006 14.728 168 H GLY 22 H GLY 22 -19.138 -16.332 10.773 169 1HA GLY 22 1HA GLY 22 -18.458 -13.478 11.073 170 2HA GLY 22 2HA GLY 22 -17.336 -14.764 10.637 171 H ASP 23 H ASP 23 -17.944 -16.521 12.826 172 HA ASP 23 HA ASP 23 -17.330 -14.901 15.232 173 1HB ASP 23 2HB ASP 23 -17.605 -17.006 16.489 174 2HB ASP 23 1HB ASP 23 -19.013 -16.677 15.483 175 H GLY 24 H GLY 24 -15.569 -15.993 12.759 176 1HA GLY 24 1HA GLY 24 -13.146 -16.209 14.445 177 2HA GLY 24 2HA GLY 24 -13.167 -15.905 12.710 178 H LYS 25 H LYS 25 -15.301 -18.416 13.456 179 HA LYS 25 HA LYS 25 -13.216 -20.403 12.679 180 1HB LYS 25 2HB LYS 25 -14.146 -22.023 14.213 181 2HB LYS 25 1HB LYS 25 -13.836 -20.546 15.121 182 1HG LYS 25 2HG LYS 25 -16.142 -19.940 15.102 183 2HG LYS 25 1HG LYS 25 -16.525 -21.152 13.878 184 1HD LYS 25 2HD LYS 25 -15.626 -22.859 15.637 185 2HD LYS 25 1HD LYS 25 -15.876 -21.551 16.793 186 1HE LYS 25 2HE LYS 25 -18.245 -21.358 15.860 187 2HE LYS 25 1HE LYS 25 -17.941 -22.881 15.026 188 1HZ LYS 25 2HZ LYS 25 -17.112 -23.400 17.542 189 2HZ LYS 25 1HZ LYS 25 -18.447 -22.385 17.814 190 3HZ LYS 25 3HZ LYS 25 -18.637 -23.810 16.915 191 H ILE 26 H ILE 26 -13.862 -21.939 11.199 192 HA ILE 26 HA ILE 26 -16.614 -21.601 10.079 193 HB ILE 26 HB ILE 26 -14.293 -22.820 8.592 194 1HG1 ILE 26 2HG1 ILE 26 -15.013 -19.882 8.816 195 2HG1 ILE 26 1HG1 ILE 26 -13.508 -20.634 9.347 196 1HG2 ILE 26 2HG2 ILE 26 -16.669 -23.014 7.767 197 2HG2 ILE 26 1HG2 ILE 26 -16.713 -21.254 7.652 198 3HG2 ILE 26 3HG2 ILE 26 -15.590 -22.175 6.652 199 1HD1 ILE 26 2HD1 ILE 26 -14.063 -21.317 6.588 200 2HD1 ILE 26 1HD1 ILE 26 -14.060 -19.566 6.800 201 3HD1 ILE 26 3HD1 ILE 26 -12.648 -20.513 7.267 202 H SER 27 H SER 27 -17.910 -23.381 10.033 203 HA SER 27 HA SER 27 -16.742 -25.945 11.009 204 1HB SER 27 2HB SER 27 -18.836 -26.455 11.949 205 2HB SER 27 1HB SER 27 -18.714 -24.715 12.207 206 HG SER 27 HG SER 27 -20.535 -26.064 10.816 207 H ALA 28 H ALA 28 -17.872 -27.929 10.028 208 HA ALA 28 HA ALA 28 -17.501 -28.030 7.255 209 1HB ALA 28 3HB ALA 28 -18.972 -29.700 9.230 210 2HB ALA 28 1HB ALA 28 -17.731 -30.168 8.066 211 3HB ALA 28 2HB ALA 28 -19.397 -29.935 7.535 212 H ALA 29 H ALA 29 -20.521 -27.437 9.038 213 HA ALA 29 HA ALA 29 -22.229 -27.194 6.800 214 1HB ALA 29 2HB ALA 29 -22.429 -26.780 9.581 215 2HB ALA 29 3HB ALA 29 -23.746 -26.749 8.407 216 3HB ALA 29 1HB ALA 29 -22.911 -25.256 8.836 217 H GLU 30 H GLU 30 -20.084 -24.813 8.316 218 HA GLU 30 HA GLU 30 -20.994 -22.665 6.575 219 1HB GLU 30 2HB GLU 30 -18.539 -22.899 8.340 220 2HB GLU 30 1HB GLU 30 -19.045 -21.425 7.515 221 1HG GLU 30 2HG GLU 30 -21.213 -21.517 8.727 222 2HG GLU 30 1HG GLU 30 -20.655 -22.953 9.586 223 H LEU 31 H LEU 31 -17.946 -24.530 6.786 224 HA LEU 31 HA LEU 31 -16.866 -23.481 4.353 225 1HB LEU 31 2HB LEU 31 -15.399 -24.619 5.903 226 2HB LEU 31 1HB LEU 31 -16.360 -26.093 5.807 227 HG LEU 31 HG LEU 31 -15.770 -26.360 3.447 228 1HD1 LEU 31 1HD1 LEU 31 -14.509 -23.663 3.893 229 2HD1 LEU 31 3HD1 LEU 31 -13.893 -24.735 2.635 230 3HD1 LEU 31 2HD1 LEU 31 -15.568 -24.188 2.584 231 1HD2 LEU 31 2HD2 LEU 31 -14.099 -26.782 5.564 232 2HD2 LEU 31 1HD2 LEU 31 -13.733 -27.275 3.910 233 3HD2 LEU 31 3HD2 LEU 31 -13.087 -25.760 4.543 234 H GLY 32 H GLY 32 -18.828 -26.351 5.048 235 1HA GLY 32 1HA GLY 32 -20.029 -27.759 3.604 236 2HA GLY 32 2HA GLY 32 -18.821 -27.386 2.377 237 H GLU 33 H GLU 33 -21.071 -25.216 4.091 238 HA GLU 33 HA GLU 33 -22.942 -24.920 1.986 239 1HB GLU 33 2HB GLU 33 -22.121 -23.240 4.328 240 2HB GLU 33 1HB GLU 33 -23.203 -22.553 3.119 241 1HG GLU 33 2HG GLU 33 -23.772 -25.278 4.251 242 2HG GLU 33 1HG GLU 33 -24.223 -23.839 5.165 243 H ALA 34 H ALA 34 -19.941 -23.133 2.664 244 HA ALA 34 HA ALA 34 -20.295 -21.337 0.410 245 1HB ALA 34 1HB ALA 34 -18.859 -20.731 2.327 246 2HB ALA 34 2HB ALA 34 -17.928 -20.737 0.829 247 3HB ALA 34 3HB ALA 34 -17.791 -22.085 1.958 248 H LEU 35 H LEU 35 -18.548 -24.355 0.996 249 HA LEU 35 HA LEU 35 -17.191 -24.512 -1.496 250 1HB LEU 35 2HB LEU 35 -18.037 -26.462 0.599 251 2HB LEU 35 1HB LEU 35 -17.561 -27.107 -0.971 252 HG LEU 35 HG LEU 35 -15.903 -25.266 0.779 253 1HD1 LEU 35 3HD1 LEU 35 -15.974 -28.211 0.278 254 2HD1 LEU 35 2HD1 LEU 35 -14.396 -27.450 0.472 255 3HD1 LEU 35 1HD1 LEU 35 -15.593 -27.335 1.761 256 1HD2 LEU 35 1HD2 LEU 35 -15.704 -26.130 -2.057 257 2HD2 LEU 35 3HD2 LEU 35 -15.100 -24.666 -1.282 258 3HD2 LEU 35 2HD2 LEU 35 -14.210 -26.179 -1.122 259 H LYS 36 H LYS 36 -20.524 -25.264 -0.599 260 HA LYS 36 HA LYS 36 -21.371 -26.882 -2.684 261 1HB LYS 36 2HB LYS 36 -22.607 -24.921 -0.933 262 2HB LYS 36 1HB LYS 36 -23.354 -24.899 -2.531 263 1HG LYS 36 2HG LYS 36 -23.746 -27.305 -2.424 264 2HG LYS 36 1HG LYS 36 -22.888 -27.406 -0.887 265 1HD LYS 36 2HD LYS 36 -24.828 -25.397 -0.529 266 2HD LYS 36 1HD LYS 36 -25.653 -26.699 -1.387 267 1HE LYS 36 2HE LYS 36 -24.840 -28.318 0.295 268 2HE LYS 36 1HE LYS 36 -24.029 -27.010 1.157 269 1HZ LYS 36 2HZ LYS 36 -26.937 -27.019 0.587 270 2HZ LYS 36 1HZ LYS 36 -26.272 -27.634 2.025 271 3HZ LYS 36 3HZ LYS 36 -26.088 -25.992 1.642 272 H THR 37 H THR 37 -20.271 -23.578 -2.876 273 HA THR 37 HA THR 37 -21.394 -22.722 -5.301 274 HB THR 37 HB THR 37 -19.814 -21.435 -3.759 275 HG1 THR 37 HG1 THR 37 -20.479 -20.848 -5.966 276 1HG2 THR 37 1HG2 THR 37 -17.793 -23.015 -5.370 277 2HG2 THR 37 3HG2 THR 37 -17.398 -21.594 -4.405 278 3HG2 THR 37 2HG2 THR 37 -18.008 -23.050 -3.620 279 H LEU 38 H LEU 38 -19.055 -25.216 -4.705 280 HA LEU 38 HA LEU 38 -17.823 -25.375 -7.264 281 1HB LEU 38 2HB LEU 38 -18.435 -27.445 -5.152 282 2HB LEU 38 1HB LEU 38 -17.631 -27.879 -6.661 283 HG LEU 38 HG LEU 38 -16.571 -25.529 -5.148 284 1HD1 LEU 38 2HD1 LEU 38 -16.935 -27.271 -3.412 285 2HD1 LEU 38 1HD1 LEU 38 -16.006 -28.411 -4.385 286 3HD1 LEU 38 3HD1 LEU 38 -15.220 -26.985 -3.707 287 1HD2 LEU 38 3HD2 LEU 38 -15.737 -26.428 -7.400 288 2HD2 LEU 38 2HD2 LEU 38 -14.513 -26.197 -6.151 289 3HD2 LEU 38 1HD2 LEU 38 -15.124 -27.814 -6.499 290 H GLY 39 H GLY 39 -20.944 -26.509 -6.096 291 1HA GLY 39 1HA GLY 39 -21.954 -26.718 -8.809 292 2HA GLY 39 2HA GLY 39 -22.843 -27.129 -7.344 293 H SER 40 H SER 40 -19.984 -28.753 -7.098 294 HA SER 40 HA SER 40 -21.256 -31.277 -7.910 295 1HB SER 40 2HB SER 40 -20.300 -30.860 -10.014 296 2HB SER 40 1HB SER 40 -18.877 -30.087 -9.317 297 HG SER 40 HG SER 40 -18.153 -32.068 -8.626 298 H ILE 41 H ILE 41 -20.883 -30.983 -5.391 299 HA ILE 41 HA ILE 41 -18.458 -32.562 -4.770 300 HB ILE 41 HB ILE 41 -18.015 -30.030 -4.467 301 1HG1 ILE 41 2HG1 ILE 41 -17.663 -31.543 -1.898 302 2HG1 ILE 41 1HG1 ILE 41 -16.863 -32.122 -3.359 303 1HG2 ILE 41 2HG2 ILE 41 -20.390 -30.012 -3.182 304 2HG2 ILE 41 1HG2 ILE 41 -19.321 -30.288 -1.806 305 3HG2 ILE 41 3HG2 ILE 41 -19.104 -28.860 -2.820 306 1HD1 ILE 41 1HD1 ILE 41 -16.658 -29.224 -2.566 307 2HD1 ILE 41 3HD1 ILE 41 -15.602 -30.425 -1.821 308 3HD1 ILE 41 2HD1 ILE 41 -15.563 -30.178 -3.567 309 H THR 42 H THR 42 -18.584 -33.120 -2.276 310 HA THR 42 HA THR 42 -21.451 -33.580 -1.561 311 HB THR 42 HB THR 42 -21.134 -35.823 -1.388 312 HG1 THR 42 HG1 THR 42 -19.789 -36.543 0.059 313 1HG2 THR 42 2HG2 THR 42 -19.957 -35.342 -3.536 314 2HG2 THR 42 1HG2 THR 42 -18.435 -35.267 -2.645 315 3HG2 THR 42 3HG2 THR 42 -19.337 -36.781 -2.726 316 HA PRO 43 HA PRO 43 -20.433 -32.028 2.459 317 1HB PRO 43 2HB PRO 43 -21.723 -33.723 4.126 318 2HB PRO 43 1HB PRO 43 -22.569 -32.525 3.143 319 1HG PRO 43 2HG PRO 43 -22.172 -35.453 2.642 320 2HG PRO 43 1HG PRO 43 -23.631 -34.479 2.434 321 1HD PRO 43 1HD PRO 43 -22.058 -35.158 0.345 322 2HD PRO 43 2HD PRO 43 -22.924 -33.622 0.400 323 H ASP 44 H ASP 44 -20.009 -35.498 1.953 324 HA ASP 44 HA ASP 44 -18.297 -35.958 4.204 325 1HB ASP 44 2HB ASP 44 -18.537 -37.425 1.562 326 2HB ASP 44 1HB ASP 44 -17.633 -38.020 2.955 327 H GLU 45 H GLU 45 -17.703 -34.519 1.065 328 HA GLU 45 HA GLU 45 -14.808 -34.946 1.226 329 1HB GLU 45 2HB GLU 45 -16.573 -33.303 -0.611 330 2HB GLU 45 1HB GLU 45 -14.814 -33.324 -0.737 331 1HG GLU 45 2HG GLU 45 -14.968 -35.855 -0.905 332 2HG GLU 45 1HG GLU 45 -16.713 -35.660 -1.063 333 H VAL 46 H VAL 46 -17.139 -32.353 1.786 334 HA VAL 46 HA VAL 46 -15.205 -30.319 2.389 335 HB VAL 46 HB VAL 46 -18.092 -30.668 3.242 336 1HG1 VAL 46 3HG1 VAL 46 -16.536 -29.189 4.732 337 2HG1 VAL 46 2HG1 VAL 46 -16.559 -28.077 3.364 338 3HG1 VAL 46 1HG1 VAL 46 -18.065 -28.509 4.175 339 1HG2 VAL 46 2HG2 VAL 46 -16.827 -29.894 0.814 340 2HG2 VAL 46 1HG2 VAL 46 -18.550 -29.863 1.191 341 3HG2 VAL 46 3HG2 VAL 46 -17.552 -28.445 1.510 342 H LYS 47 H LYS 47 -16.798 -32.810 4.295 343 HA LYS 47 HA LYS 47 -15.865 -31.900 6.865 344 1HB LYS 47 2HB LYS 47 -16.699 -34.647 5.887 345 2HB LYS 47 1HB LYS 47 -16.339 -34.275 7.573 346 1HG LYS 47 2HG LYS 47 -18.091 -32.483 7.492 347 2HG LYS 47 1HG LYS 47 -18.504 -33.014 5.862 348 1HD LYS 47 2HD LYS 47 -18.894 -35.327 6.823 349 2HD LYS 47 1HD LYS 47 -18.721 -34.614 8.426 350 1HE LYS 47 2HE LYS 47 -20.531 -32.935 7.675 351 2HE LYS 47 1HE LYS 47 -20.841 -34.055 6.348 352 1HZ LYS 47 3HZ LYS 47 -21.082 -35.820 8.078 353 2HZ LYS 47 2HZ LYS 47 -21.045 -34.596 9.256 354 3HZ LYS 47 1HZ LYS 47 -22.292 -34.633 8.105 355 H HIS 48 H HIS 48 -14.564 -34.118 4.432 356 HA HIS 48 HA HIS 48 -12.301 -34.979 5.978 357 1HB HIS 48 2HB HIS 48 -13.018 -36.200 3.976 358 2HB HIS 48 1HB HIS 48 -12.663 -34.796 2.971 359 HD1 HIS 48 HD1 HIS 48 -10.646 -35.562 1.663 360 HD2 HIS 48 HD2 HIS 48 -10.250 -36.305 5.746 361 HE1 HIS 48 HE1 HIS 48 -8.273 -36.375 2.016 362 H MET 49 H MET 49 -12.796 -32.296 3.684 363 HA MET 49 HA MET 49 -10.107 -31.383 3.608 364 1HB MET 49 2HB MET 49 -12.782 -30.060 3.229 365 2HB MET 49 1HB MET 49 -11.309 -29.095 3.226 366 1HG MET 49 2HG MET 49 -10.433 -30.863 1.524 367 2HG MET 49 1HG MET 49 -12.135 -31.280 1.325 368 1HE MET 49 2HE MET 49 -12.403 -31.027 -0.666 369 2HE MET 49 1HE MET 49 -13.371 -29.615 -1.083 370 3HE MET 49 3HE MET 49 -11.752 -29.815 -1.765 371 H MET 50 H MET 50 -12.784 -30.583 5.796 372 HA MET 50 HA MET 50 -11.377 -28.665 7.368 373 1HB MET 50 2HB MET 50 -13.788 -30.385 7.753 374 2HB MET 50 1HB MET 50 -13.074 -29.641 9.183 375 1HG MET 50 2HG MET 50 -13.112 -27.439 7.879 376 2HG MET 50 1HG MET 50 -14.146 -28.265 6.713 377 1HE MET 50 3HE MET 50 -13.491 -26.741 9.883 378 2HE MET 50 2HE MET 50 -14.992 -26.640 10.797 379 3HE MET 50 1HE MET 50 -14.025 -28.112 10.863 380 H ALA 51 H ALA 51 -11.806 -32.167 7.800 381 HA ALA 51 HA ALA 51 -10.312 -32.430 10.200 382 1HB ALA 51 1HB ALA 51 -11.251 -34.464 9.771 383 2HB ALA 51 2HB ALA 51 -9.755 -34.768 8.889 384 3HB ALA 51 3HB ALA 51 -11.193 -34.227 8.024 385 H GLU 52 H GLU 52 -9.312 -31.799 6.951 386 HA GLU 52 HA GLU 52 -6.490 -32.492 7.548 387 1HB GLU 52 2HB GLU 52 -8.001 -31.718 5.063 388 2HB GLU 52 1HB GLU 52 -6.243 -31.580 5.107 389 1HG GLU 52 2HG GLU 52 -6.254 -34.009 5.968 390 2HG GLU 52 1HG GLU 52 -7.935 -34.061 5.439 391 H ILE 53 H ILE 53 -8.575 -29.719 6.943 392 HA ILE 53 HA ILE 53 -6.374 -27.799 7.060 393 HB ILE 53 HB ILE 53 -9.378 -27.420 7.188 394 1HG1 ILE 53 2HG1 ILE 53 -7.449 -27.083 4.878 395 2HG1 ILE 53 1HG1 ILE 53 -8.502 -28.477 5.098 396 1HG2 ILE 53 2HG2 ILE 53 -7.126 -25.451 6.701 397 2HG2 ILE 53 1HG2 ILE 53 -8.847 -25.080 6.597 398 3HG2 ILE 53 3HG2 ILE 53 -8.134 -25.532 8.145 399 1HD1 ILE 53 3HD1 ILE 53 -10.379 -26.627 5.304 400 2HD1 ILE 53 2HD1 ILE 53 -9.220 -25.653 4.400 401 3HD1 ILE 53 1HD1 ILE 53 -9.827 -27.162 3.717 402 H ASP 54 H ASP 54 -8.743 -29.172 9.256 403 HA ASP 54 HA ASP 54 -8.539 -27.309 11.391 404 1HB ASP 54 2HB ASP 54 -10.097 -29.400 10.967 405 2HB ASP 54 1HB ASP 54 -8.851 -30.255 11.864 406 H THR 55 H THR 55 -6.437 -26.710 11.938 407 HA THR 55 HA THR 55 -4.244 -28.580 12.070 408 HB THR 55 HB THR 55 -3.031 -26.702 13.162 409 HG1 THR 55 HG1 THR 55 -4.217 -24.750 13.395 410 1HG2 THR 55 2HG2 THR 55 -4.720 -25.926 10.769 411 2HG2 THR 55 1HG2 THR 55 -3.226 -25.130 11.266 412 3HG2 THR 55 3HG2 THR 55 -3.192 -26.804 10.711 413 H ASP 56 H ASP 56 -6.232 -27.028 14.587 414 HA ASP 56 HA ASP 56 -4.901 -28.655 16.652 415 1HB ASP 56 2HB ASP 56 -6.810 -27.531 18.090 416 2HB ASP 56 1HB ASP 56 -5.417 -26.586 17.570 417 H GLY 57 H GLY 57 -7.917 -28.640 14.853 418 1HA GLY 57 1HA GLY 57 -8.447 -31.357 15.895 419 2HA GLY 57 2HA GLY 57 -9.219 -30.627 14.491 420 H ASP 58 H ASP 58 -9.800 -28.112 16.053 421 HA ASP 58 HA ASP 58 -11.591 -29.025 18.192 422 1HB ASP 58 2HB ASP 58 -11.984 -26.730 18.655 423 2HB ASP 58 1HB ASP 58 -10.290 -26.806 18.173 424 H GLY 59 H GLY 59 -11.811 -29.004 14.880 425 1HA GLY 59 1HA GLY 59 -14.777 -29.066 15.048 426 2HA GLY 59 2HA GLY 59 -13.812 -29.799 13.769 427 H PHE 60 H PHE 60 -12.622 -26.717 14.454 428 HA PHE 60 HA PHE 60 -14.120 -25.642 12.108 429 1HB PHE 60 2HB PHE 60 -13.413 -23.995 14.543 430 2HB PHE 60 1HB PHE 60 -14.402 -23.509 13.166 431 HD1 PHE 60 HD1 PHE 60 -16.635 -24.542 12.796 432 HD2 PHE 60 HD2 PHE 60 -14.319 -25.324 16.326 433 HE1 PHE 60 HE1 PHE 60 -18.656 -25.423 13.927 434 HE2 PHE 60 HE2 PHE 60 -16.340 -26.202 17.457 435 HZ PHE 60 HZ PHE 60 -18.511 -26.255 16.259 436 H ILE 61 H ILE 61 -13.010 -23.971 10.917 437 HA ILE 61 HA ILE 61 -10.062 -24.107 11.253 438 HB ILE 61 HB ILE 61 -11.610 -23.201 8.817 439 1HG1 ILE 61 2HG1 ILE 61 -12.232 -25.511 9.279 440 2HG1 ILE 61 1HG1 ILE 61 -11.112 -25.483 7.919 441 1HG2 ILE 61 2HG2 ILE 61 -8.755 -24.142 9.235 442 2HG2 ILE 61 1HG2 ILE 61 -9.462 -23.689 7.683 443 3HG2 ILE 61 3HG2 ILE 61 -9.261 -22.477 8.947 444 1HD1 ILE 61 2HD1 ILE 61 -9.246 -25.890 9.604 445 2HD1 ILE 61 1HD1 ILE 61 -10.505 -26.201 10.797 446 3HD1 ILE 61 3HD1 ILE 61 -10.363 -27.237 9.377 447 H SER 62 H SER 62 -9.062 -22.245 11.893 448 HA SER 62 HA SER 62 -10.690 -19.783 12.098 449 1HB SER 62 2HB SER 62 -8.282 -19.116 13.176 450 2HB SER 62 1HB SER 62 -9.579 -19.874 14.099 451 HG SER 62 HG SER 62 -8.552 -21.734 14.070 452 H PHE 63 H PHE 63 -9.523 -17.706 11.454 453 HA PHE 63 HA PHE 63 -8.838 -17.760 8.718 454 1HB PHE 63 2HB PHE 63 -9.459 -15.677 9.900 455 2HB PHE 63 1HB PHE 63 -7.937 -15.735 10.792 456 HD1 PHE 63 HD1 PHE 63 -8.932 -16.285 7.219 457 HD2 PHE 63 HD2 PHE 63 -6.374 -14.211 9.975 458 HE1 PHE 63 HE1 PHE 63 -7.777 -15.188 5.320 459 HE2 PHE 63 HE2 PHE 63 -5.213 -13.119 8.076 460 HZ PHE 63 HZ PHE 63 -5.920 -13.605 5.747 461 H GLN 64 H GLN 64 -6.769 -17.853 11.590 462 HA GLN 64 HA GLN 64 -4.261 -17.801 10.238 463 1HB GLN 64 2HB GLN 64 -4.638 -17.547 12.720 464 2HB GLN 64 1HB GLN 64 -4.930 -19.285 12.797 465 1HG GLN 64 2HG GLN 64 -2.612 -18.964 13.342 466 2HG GLN 64 1HG GLN 64 -2.653 -19.594 11.695 467 1HE2 GLN 64 1HE2 GLN 64 -1.307 -18.453 10.303 468 2HE2 GLN 64 2HE2 GLN 64 -0.917 -16.807 10.447 469 H GLU 65 H GLU 65 -6.252 -20.563 11.348 470 HA GLU 65 HA GLU 65 -4.586 -22.630 10.346 471 1HB GLU 65 2HB GLU 65 -7.483 -22.373 11.018 472 2HB GLU 65 1HB GLU 65 -6.986 -23.773 10.077 473 1HG GLU 65 2HG GLU 65 -5.370 -24.405 11.788 474 2HG GLU 65 1HG GLU 65 -5.723 -22.941 12.704 475 H PHE 66 H PHE 66 -7.314 -20.929 8.817 476 HA PHE 66 HA PHE 66 -7.211 -22.313 6.327 477 1HB PHE 66 2HB PHE 66 -9.080 -20.825 7.075 478 2HB PHE 66 1HB PHE 66 -8.031 -19.435 6.803 479 HD1 PHE 66 HD1 PHE 66 -9.859 -22.208 5.183 480 HD2 PHE 66 HD2 PHE 66 -7.456 -18.701 4.567 481 HE1 PHE 66 HE1 PHE 66 -10.461 -22.218 2.777 482 HE2 PHE 66 HE2 PHE 66 -8.059 -18.711 2.162 483 HZ PHE 66 HZ PHE 66 -9.561 -20.469 1.267 484 H THR 67 H THR 67 -5.552 -19.404 7.477 485 HA THR 67 HA THR 67 -4.275 -18.760 4.991 486 HB THR 67 HB THR 67 -3.574 -18.154 7.873 487 HG1 THR 67 HG1 THR 67 -4.128 -16.006 6.936 488 1HG2 THR 67 3HG2 THR 67 -1.507 -18.214 6.521 489 2HG2 THR 67 2HG2 THR 67 -2.244 -17.114 5.355 490 3HG2 THR 67 1HG2 THR 67 -1.912 -16.565 6.998 491 H ASP 68 H ASP 68 -3.165 -20.636 7.824 492 HA ASP 68 HA ASP 68 -0.594 -21.291 6.802 493 1HB ASP 68 2HB ASP 68 -2.391 -22.914 8.630 494 2HB ASP 68 1HB ASP 68 -0.667 -23.195 8.391 495 H PHE 69 H PHE 69 -3.752 -22.823 6.338 496 HA PHE 69 HA PHE 69 -2.640 -25.025 4.781 497 1HB PHE 69 2HB PHE 69 -4.616 -25.752 5.696 498 2HB PHE 69 1HB PHE 69 -5.316 -24.136 5.719 499 HD1 PHE 69 HD1 PHE 69 -6.032 -23.112 3.488 500 HD2 PHE 69 HD2 PHE 69 -5.207 -27.291 4.008 501 HE1 PHE 69 HE1 PHE 69 -7.311 -23.620 1.422 502 HE2 PHE 69 HE2 PHE 69 -6.479 -27.802 1.945 503 HZ PHE 69 HZ PHE 69 -7.535 -25.968 0.649 504 H GLY 70 H GLY 70 -4.198 -21.919 4.128 505 1HA GLY 70 1HA GLY 70 -4.344 -20.677 2.141 506 2HA GLY 70 2HA GLY 70 -4.518 -22.225 1.314 507 H ARG 71 H ARG 71 -1.710 -21.498 3.283 508 HA ARG 71 HA ARG 71 -0.056 -20.571 1.085 509 1HB ARG 71 2HB ARG 71 0.628 -21.627 3.842 510 2HB ARG 71 1HB ARG 71 1.826 -20.996 2.712 511 1HG ARG 71 2HG ARG 71 0.541 -18.850 2.624 512 2HG ARG 71 1HG ARG 71 -0.543 -19.488 3.861 513 1HD ARG 71 2HD ARG 71 2.421 -18.924 4.116 514 2HD ARG 71 1HD ARG 71 1.101 -18.169 5.010 515 HE ARG 71 HE ARG 71 0.919 -20.906 5.577 516 1HH1 ARG 71 1HH1 ARG 71 2.876 -18.151 6.171 517 2HH1 ARG 71 2HH1 ARG 71 3.788 -18.896 7.441 518 1HH2 ARG 71 1HH2 ARG 71 2.246 -21.983 7.095 519 2HH2 ARG 71 2HH2 ARG 71 3.430 -21.066 7.964 520 H ALA 72 H ALA 72 -0.721 -23.686 2.590 521 HA ALA 72 HA ALA 72 1.373 -25.150 1.266 522 1HB ALA 72 3HB ALA 72 -0.547 -27.033 1.652 523 2HB ALA 72 2HB ALA 72 0.530 -26.474 2.931 524 3HB ALA 72 1HB ALA 72 -1.092 -25.796 2.787 525 H ASN 73 H ASN 73 -1.602 -23.823 0.170 526 HA ASN 73 HA ASN 73 -1.136 -25.012 -2.496 527 1HB ASN 73 2HB ASN 73 -3.945 -25.066 -1.435 528 2HB ASN 73 1HB ASN 73 -3.220 -26.037 -2.716 529 1HD2 ASN 73 1HD2 ASN 73 -4.121 -26.079 0.571 530 2HD2 ASN 73 2HD2 ASN 73 -3.250 -27.457 1.041 531 H ARG 74 H ARG 74 -0.567 -22.458 -2.017 532 HA ARG 74 HA ARG 74 -2.570 -20.500 -2.015 533 1HB ARG 74 2HB ARG 74 -0.966 -19.073 -3.264 534 2HB ARG 74 1HB ARG 74 -0.180 -19.934 -1.941 535 1HG ARG 74 2HG ARG 74 0.525 -21.696 -3.578 536 2HG ARG 74 1HG ARG 74 -0.147 -20.704 -4.874 537 1HD ARG 74 2HD ARG 74 2.181 -20.071 -3.053 538 2HD ARG 74 1HD ARG 74 2.165 -20.148 -4.815 539 HE ARG 74 HE ARG 74 0.683 -18.080 -4.710 540 1HH1 ARG 74 1HH1 ARG 74 1.181 -18.714 -1.547 541 2HH1 ARG 74 2HH1 ARG 74 2.014 -17.247 -1.155 542 1HH2 ARG 74 1HH2 ARG 74 2.442 -16.295 -4.461 543 2HH2 ARG 74 2HH2 ARG 74 2.729 -15.879 -2.804 544 H GLY 75 H GLY 75 -1.303 -22.388 -4.723 545 1HA GLY 75 1HA GLY 75 -2.250 -22.858 -6.802 546 2HA GLY 75 2HA GLY 75 -2.682 -21.148 -6.842 547 H LEU 76 H LEU 76 -3.892 -23.026 -4.213 548 HA LEU 76 HA LEU 76 -6.399 -23.769 -5.529 549 1HB LEU 76 2HB LEU 76 -5.472 -23.860 -2.649 550 2HB LEU 76 1HB LEU 76 -7.078 -24.381 -3.159 551 HG LEU 76 HG LEU 76 -4.438 -25.504 -4.149 552 1HD1 LEU 76 1HD1 LEU 76 -5.735 -26.046 -1.792 553 2HD1 LEU 76 3HD1 LEU 76 -6.448 -27.245 -2.871 554 3HD1 LEU 76 2HD1 LEU 76 -4.700 -27.191 -2.645 555 1HD2 LEU 76 1HD2 LEU 76 -7.297 -25.865 -4.995 556 2HD2 LEU 76 3HD2 LEU 76 -5.845 -25.753 -5.992 557 3HD2 LEU 76 2HD2 LEU 76 -6.190 -27.235 -5.100 558 H LEU 77 H LEU 77 -5.351 -21.341 -3.164 559 HA LEU 77 HA LEU 77 -7.900 -20.185 -2.676 560 1HB LEU 77 2HB LEU 77 -5.085 -19.105 -2.538 561 2HB LEU 77 1HB LEU 77 -6.477 -18.099 -2.144 562 HG LEU 77 HG LEU 77 -5.321 -19.372 -0.208 563 1HD1 LEU 77 1HD1 LEU 77 -8.222 -19.144 -0.843 564 2HD1 LEU 77 3HD1 LEU 77 -7.785 -20.118 0.561 565 3HD1 LEU 77 2HD1 LEU 77 -7.300 -18.425 0.478 566 1HD2 LEU 77 2HD2 LEU 77 -6.901 -21.622 -1.484 567 2HD2 LEU 77 1HD2 LEU 77 -5.147 -21.550 -1.320 568 3HD2 LEU 77 3HD2 LEU 77 -6.162 -21.682 0.116 569 H LYS 78 H LYS 78 -5.457 -19.471 -5.149 570 HA LYS 78 HA LYS 78 -6.782 -17.199 -6.268 571 1HB LYS 78 2HB LYS 78 -4.988 -19.228 -7.635 572 2HB LYS 78 1HB LYS 78 -5.398 -17.632 -8.266 573 1HG LYS 78 2HG LYS 78 -4.280 -16.537 -6.435 574 2HG LYS 78 1HG LYS 78 -4.069 -18.064 -5.578 575 1HD LYS 78 2HD LYS 78 -1.973 -17.404 -6.687 576 2HD LYS 78 1HD LYS 78 -2.615 -18.879 -7.411 577 1HE LYS 78 2HE LYS 78 -2.507 -17.828 -9.405 578 2HE LYS 78 1HE LYS 78 -3.827 -16.799 -8.846 579 1HZ LYS 78 3HZ LYS 78 -1.300 -15.992 -7.787 580 2HZ LYS 78 2HZ LYS 78 -1.304 -15.981 -9.486 581 3HZ LYS 78 1HZ LYS 78 -2.459 -15.080 -8.625 582 H ASP 79 H ASP 79 -7.075 -20.665 -6.899 583 HA ASP 79 HA ASP 79 -8.905 -20.342 -9.125 584 1HB ASP 79 2HB ASP 79 -7.863 -22.596 -7.489 585 2HB ASP 79 1HB ASP 79 -9.410 -22.855 -8.297 586 H VAL 80 H VAL 80 -9.341 -21.265 -5.709 587 HA VAL 80 HA VAL 80 -12.203 -21.391 -5.839 588 HB VAL 80 HB VAL 80 -10.601 -22.292 -4.021 589 1HG1 VAL 80 3HG1 VAL 80 -9.513 -20.092 -3.590 590 2HG1 VAL 80 2HG1 VAL 80 -11.044 -19.494 -2.950 591 3HG1 VAL 80 1HG1 VAL 80 -10.197 -20.808 -2.132 592 1HG2 VAL 80 2HG2 VAL 80 -13.309 -21.138 -3.787 593 2HG2 VAL 80 1HG2 VAL 80 -12.742 -22.761 -3.391 594 3HG2 VAL 80 3HG2 VAL 80 -12.497 -21.438 -2.250 595 H ALA 81 H ALA 81 -9.953 -18.839 -4.897 596 HA ALA 81 HA ALA 81 -11.737 -16.888 -3.983 597 1HB ALA 81 3HB ALA 81 -9.430 -16.367 -3.850 598 2HB ALA 81 2HB ALA 81 -9.182 -16.660 -5.571 599 3HB ALA 81 1HB ALA 81 -10.067 -15.231 -5.038 600 H LYS 82 H LYS 82 -10.940 -17.715 -7.341 601 HA LYS 82 HA LYS 82 -12.455 -15.586 -8.530 602 1HB LYS 82 2HB LYS 82 -11.645 -18.303 -9.604 603 2HB LYS 82 1HB LYS 82 -12.376 -17.032 -10.583 604 1HG LYS 82 2HG LYS 82 -10.493 -15.510 -9.828 605 2HG LYS 82 1HG LYS 82 -9.725 -16.932 -9.121 606 1HD LYS 82 2HD LYS 82 -9.864 -18.030 -11.391 607 2HD LYS 82 1HD LYS 82 -10.407 -16.482 -12.039 608 1HE LYS 82 2HE LYS 82 -7.942 -16.442 -10.368 609 2HE LYS 82 1HE LYS 82 -7.806 -17.184 -11.963 610 1HZ LYS 82 2HZ LYS 82 -9.255 -14.910 -12.389 611 2HZ LYS 82 1HZ LYS 82 -8.075 -14.429 -11.264 612 3HZ LYS 82 3HZ LYS 82 -7.607 -15.127 -12.736 613 H ILE 83 H ILE 83 -13.339 -18.692 -7.210 614 HA ILE 83 HA ILE 83 -15.849 -19.025 -8.532 615 HB ILE 83 HB ILE 83 -15.155 -19.867 -5.708 616 1HG1 ILE 83 2HG1 ILE 83 -14.494 -21.099 -8.391 617 2HG1 ILE 83 1HG1 ILE 83 -13.380 -20.672 -7.095 618 1HG2 ILE 83 2HG2 ILE 83 -17.112 -20.884 -7.787 619 2HG2 ILE 83 1HG2 ILE 83 -16.729 -21.744 -6.296 620 3HG2 ILE 83 3HG2 ILE 83 -17.503 -20.160 -6.228 621 1HD1 ILE 83 3HD1 ILE 83 -14.798 -22.353 -5.673 622 2HD1 ILE 83 2HD1 ILE 83 -15.318 -22.969 -7.242 623 3HD1 ILE 83 1HD1 ILE 83 -13.608 -22.987 -6.809 624 H PHE 84 H PHE 84 -14.995 -17.428 -5.476 625 HA PHE 84 HA PHE 84 -17.765 -16.467 -5.150 626 1HB PHE 84 2HB PHE 84 -15.261 -15.962 -3.511 627 2HB PHE 84 1HB PHE 84 -16.882 -15.421 -3.074 628 HD1 PHE 84 HD1 PHE 84 -14.728 -18.390 -3.606 629 HD2 PHE 84 HD2 PHE 84 -18.528 -16.955 -2.210 630 HE1 PHE 84 HE1 PHE 84 -15.191 -20.605 -2.590 631 HE2 PHE 84 HE2 PHE 84 -18.992 -19.170 -1.194 632 HZ PHE 84 HZ PHE 84 -17.323 -20.995 -1.385 No H/Q in entry = 632 Start of MODEL 7 1 H1 ALA 1 3H ALA 1 10.793 -15.770 -0.620 2 H2 ALA 1 2H ALA 1 11.941 -15.037 0.397 3 H3 ALA 1 1H ALA 1 11.262 -16.536 0.819 4 HA ALA 1 HA ALA 1 9.333 -15.646 1.560 5 1HB ALA 1 1HB ALA 1 11.657 -13.968 2.052 6 2HB ALA 1 2HB ALA 1 10.360 -14.425 3.155 7 3HB ALA 1 3HB ALA 1 10.167 -13.026 2.099 8 H ASP 2 H ASP 2 8.633 -15.655 -0.937 9 HA ASP 2 HA ASP 2 8.261 -12.968 -2.053 10 1HB ASP 2 2HB ASP 2 7.309 -15.713 -2.907 11 2HB ASP 2 1HB ASP 2 6.910 -14.237 -3.785 12 H ASP 3 H ASP 3 6.686 -14.831 0.277 13 HA ASP 3 HA ASP 3 3.942 -14.177 -0.297 14 1HB ASP 3 2HB ASP 3 5.349 -14.888 2.291 15 2HB ASP 3 1HB ASP 3 3.602 -14.700 2.149 16 H HIS 4 H HIS 4 3.078 -12.164 -0.259 17 HA HIS 4 HA HIS 4 4.370 -10.120 1.501 18 1HB HIS 4 2HB HIS 4 2.779 -8.675 -0.194 19 2HB HIS 4 1HB HIS 4 4.481 -9.007 -0.487 20 HD1 HIS 4 HD1 HIS 4 1.229 -10.943 -1.046 21 HD2 HIS 4 HD2 HIS 4 4.796 -10.054 -3.009 22 HE1 HIS 4 HE1 HIS 4 1.102 -12.075 -3.308 23 HA PRO 5 HA PRO 5 0.652 -9.506 3.829 24 1HB PRO 5 2HB PRO 5 0.204 -6.838 3.732 25 2HB PRO 5 1HB PRO 5 1.503 -7.560 4.687 26 1HG PRO 5 2HG PRO 5 1.622 -6.297 1.969 27 2HG PRO 5 1HG PRO 5 2.718 -6.083 3.339 28 1HD PRO 5 1HD PRO 5 3.343 -7.709 1.292 29 2HD PRO 5 2HD PRO 5 3.806 -8.100 2.948 30 H GLN 6 H GLN 6 0.723 -8.274 0.565 31 HA GLN 6 HA GLN 6 -2.046 -7.594 0.296 32 1HB GLN 6 2HB GLN 6 0.205 -8.237 -1.554 33 2HB GLN 6 1HB GLN 6 -1.432 -8.352 -2.204 34 1HG GLN 6 2HG GLN 6 -1.864 -6.083 -1.883 35 2HG GLN 6 1HG GLN 6 -0.652 -5.929 -0.611 36 1HE2 GLN 6 1HE2 GLN 6 1.714 -6.419 -1.486 37 2HE2 GLN 6 2HE2 GLN 6 2.088 -5.742 -2.997 38 H ASP 7 H ASP 7 -0.270 -10.629 0.015 39 HA ASP 7 HA ASP 7 -2.321 -12.217 -1.144 40 1HB ASP 7 2HB ASP 7 -0.024 -12.836 0.704 41 2HB ASP 7 1HB ASP 7 -1.163 -14.098 0.232 42 H LYS 8 H LYS 8 -1.610 -11.519 2.268 43 HA LYS 8 HA LYS 8 -3.566 -13.095 3.499 44 1HB LYS 8 2HB LYS 8 -2.288 -10.475 4.155 45 2HB LYS 8 1HB LYS 8 -3.695 -10.963 5.099 46 1HG LYS 8 2HG LYS 8 -2.395 -13.278 5.196 47 2HG LYS 8 1HG LYS 8 -0.995 -12.243 4.915 48 1HD LYS 8 2HD LYS 8 -1.845 -10.797 6.840 49 2HD LYS 8 1HD LYS 8 -2.976 -12.101 7.197 50 1HE LYS 8 2HE LYS 8 -0.774 -12.168 8.484 51 2HE LYS 8 1HE LYS 8 -1.198 -13.648 7.623 52 1HZ LYS 8 1HZ LYS 8 0.391 -11.621 6.225 53 2HZ LYS 8 3HZ LYS 8 1.163 -12.586 7.387 54 3HZ LYS 8 2HZ LYS 8 0.399 -13.312 6.054 55 H ALA 9 H ALA 9 -3.935 -9.975 1.879 56 HA ALA 9 HA ALA 9 -6.606 -9.407 2.624 57 1HB ALA 9 2HB ALA 9 -4.753 -8.287 0.883 58 2HB ALA 9 3HB ALA 9 -6.404 -7.715 1.127 59 3HB ALA 9 1HB ALA 9 -6.042 -8.828 -0.192 60 H GLU 10 H GLU 10 -5.337 -11.356 -0.050 61 HA GLU 10 HA GLU 10 -7.901 -12.112 -1.100 62 1HB GLU 10 2HB GLU 10 -5.336 -13.719 -1.229 63 2HB GLU 10 1HB GLU 10 -6.702 -13.807 -2.342 64 1HG GLU 10 2HG GLU 10 -6.287 -11.341 -2.843 65 2HG GLU 10 1HG GLU 10 -4.771 -11.508 -1.957 66 H ARG 11 H ARG 11 -5.693 -13.688 1.199 67 HA ARG 11 HA ARG 11 -7.302 -16.003 1.662 68 1HB ARG 11 2HB ARG 11 -5.281 -14.564 3.397 69 2HB ARG 11 1HB ARG 11 -6.026 -16.094 3.853 70 1HG ARG 11 2HG ARG 11 -5.166 -17.117 1.766 71 2HG ARG 11 1HG ARG 11 -4.395 -15.588 1.346 72 1HD ARG 11 2HD ARG 11 -3.320 -15.818 3.746 73 2HD ARG 11 1HD ARG 11 -3.697 -17.527 3.529 74 HE ARG 11 HE ARG 11 -2.314 -17.401 1.417 75 1HH1 ARG 11 1HH1 ARG 11 -2.253 -14.281 2.267 76 2HH1 ARG 11 2HH1 ARG 11 -0.549 -14.146 2.547 77 1HH2 ARG 11 1HH2 ARG 11 0.002 -17.569 2.477 78 2HH2 ARG 11 2HH2 ARG 11 0.728 -16.008 2.665 79 H GLU 12 H GLU 12 -7.200 -12.826 3.217 80 HA GLU 12 HA GLU 12 -9.088 -13.419 5.289 81 1HB GLU 12 2HB GLU 12 -7.901 -10.971 4.098 82 2HB GLU 12 1HB GLU 12 -9.442 -10.760 4.929 83 1HG GLU 12 2HG GLU 12 -8.315 -12.206 6.808 84 2HG GLU 12 1HG GLU 12 -6.811 -11.711 6.033 85 H ARG 13 H ARG 13 -9.470 -12.045 2.034 86 HA ARG 13 HA ARG 13 -12.305 -11.645 2.244 87 1HB ARG 13 2HB ARG 13 -10.509 -12.069 -0.161 88 2HB ARG 13 1HB ARG 13 -12.218 -11.647 -0.280 89 1HG ARG 13 2HG ARG 13 -11.880 -9.540 0.770 90 2HG ARG 13 1HG ARG 13 -10.278 -9.999 1.350 91 1HD ARG 13 2HD ARG 13 -9.303 -9.369 -0.588 92 2HD ARG 13 1HD ARG 13 -10.497 -10.242 -1.549 93 HE ARG 13 HE ARG 13 -11.964 -8.106 -0.885 94 1HH1 ARG 13 1HH1 ARG 13 -10.378 -8.194 -3.483 95 2HH1 ARG 13 2HH1 ARG 13 -9.540 -6.680 -3.416 96 1HH2 ARG 13 1HH2 ARG 13 -10.135 -6.199 -0.034 97 2HH2 ARG 13 2HH2 ARG 13 -9.402 -5.550 -1.463 98 H ILE 14 H ILE 14 -10.330 -14.351 1.084 99 HA ILE 14 HA ILE 14 -12.581 -15.965 0.267 100 HB ILE 14 HB ILE 14 -9.807 -16.870 1.096 101 1HG1 ILE 14 2HG1 ILE 14 -10.704 -16.418 -1.736 102 2HG1 ILE 14 1HG1 ILE 14 -10.113 -15.060 -0.782 103 1HG2 ILE 14 2HG2 ILE 14 -12.009 -18.127 -0.564 104 2HG2 ILE 14 1HG2 ILE 14 -10.360 -18.746 -0.500 105 3HG2 ILE 14 3HG2 ILE 14 -11.350 -18.727 0.958 106 1HD1 ILE 14 3HD1 ILE 14 -8.456 -17.510 -0.642 107 2HD1 ILE 14 2HD1 ILE 14 -8.493 -16.721 -2.218 108 3HD1 ILE 14 1HD1 ILE 14 -7.962 -15.823 -0.795 109 H PHE 15 H PHE 15 -10.591 -15.834 3.229 110 HA PHE 15 HA PHE 15 -12.005 -17.957 4.555 111 1HB PHE 15 2HB PHE 15 -9.772 -17.166 5.294 112 2HB PHE 15 1HB PHE 15 -10.491 -15.631 5.791 113 HD1 PHE 15 HD1 PHE 15 -12.024 -15.529 7.717 114 HD2 PHE 15 HD2 PHE 15 -10.205 -19.227 6.512 115 HE1 PHE 15 HE1 PHE 15 -12.697 -16.562 9.871 116 HE2 PHE 15 HE2 PHE 15 -10.873 -20.261 8.664 117 HZ PHE 15 HZ PHE 15 -12.123 -18.933 10.344 118 H LYS 16 H LYS 16 -12.483 -14.464 4.360 119 HA LYS 16 HA LYS 16 -14.500 -14.275 6.384 120 1HB LYS 16 2HB LYS 16 -13.774 -12.607 3.984 121 2HB LYS 16 1HB LYS 16 -15.219 -12.232 4.923 122 1HG LYS 16 2HG LYS 16 -12.540 -12.630 6.257 123 2HG LYS 16 1HG LYS 16 -13.015 -11.062 5.607 124 1HD LYS 16 2HD LYS 16 -14.886 -10.906 7.073 125 2HD LYS 16 1HD LYS 16 -14.785 -12.613 7.502 126 1HE LYS 16 2HE LYS 16 -12.879 -12.291 8.843 127 2HE LYS 16 1HE LYS 16 -12.481 -10.757 8.069 128 1HZ LYS 16 1HZ LYS 16 -14.697 -9.971 9.018 129 2HZ LYS 16 3HZ LYS 16 -14.617 -11.333 10.025 130 3HZ LYS 16 2HZ LYS 16 -13.398 -10.152 10.100 131 H ARG 17 H ARG 17 -14.603 -15.206 2.989 132 HA ARG 17 HA ARG 17 -17.486 -15.124 2.761 133 1HB ARG 17 2HB ARG 17 -15.357 -16.592 1.183 134 2HB ARG 17 1HB ARG 17 -17.068 -16.613 0.758 135 1HG ARG 17 2HG ARG 17 -17.019 -14.111 0.663 136 2HG ARG 17 1HG ARG 17 -15.280 -14.171 0.940 137 1HD ARG 17 2HD ARG 17 -15.029 -15.576 -1.098 138 2HD ARG 17 1HD ARG 17 -16.761 -15.418 -1.394 139 HE ARG 17 HE ARG 17 -16.322 -12.920 -1.579 140 1HH1 ARG 17 1HH1 ARG 17 -14.353 -15.379 -2.825 141 2HH1 ARG 17 2HH1 ARG 17 -13.136 -14.313 -3.443 142 1HH2 ARG 17 1HH2 ARG 17 -14.524 -11.472 -2.020 143 2HH2 ARG 17 2HH2 ARG 17 -13.232 -12.103 -2.987 144 H PHE 18 H PHE 18 -15.123 -17.586 3.675 145 HA PHE 18 HA PHE 18 -16.998 -19.768 3.792 146 1HB PHE 18 2HB PHE 18 -14.257 -19.275 4.925 147 2HB PHE 18 1HB PHE 18 -15.173 -20.705 5.405 148 HD1 PHE 18 HD1 PHE 18 -16.139 -22.185 3.514 149 HD2 PHE 18 HD2 PHE 18 -13.066 -19.249 2.898 150 HE1 PHE 18 HE1 PHE 18 -15.492 -23.306 1.399 151 HE2 PHE 18 HE2 PHE 18 -12.419 -20.370 0.782 152 HZ PHE 18 HZ PHE 18 -13.633 -22.398 0.033 153 H ASP 19 H ASP 19 -15.698 -17.587 6.298 154 HA ASP 19 HA ASP 19 -17.180 -18.736 8.459 155 1HB ASP 19 2HB ASP 19 -15.239 -16.961 8.469 156 2HB ASP 19 1HB ASP 19 -16.560 -15.793 8.366 157 H ALA 20 H ALA 20 -19.373 -19.015 8.152 158 HA ALA 20 HA ALA 20 -21.020 -17.188 6.673 159 1HB ALA 20 2HB ALA 20 -21.381 -19.711 7.305 160 2HB ALA 20 1HB ALA 20 -22.147 -19.041 8.745 161 3HB ALA 20 3HB ALA 20 -22.775 -18.642 7.147 162 H ASN 21 H ASN 21 -20.781 -17.757 10.229 163 HA ASN 21 HA ASN 21 -22.477 -15.389 10.655 164 1HB ASN 21 2HB ASN 21 -22.385 -15.945 13.015 165 2HB ASN 21 1HB ASN 21 -22.710 -17.412 12.098 166 1HD2 ASN 21 1HD2 ASN 21 -21.494 -17.216 14.766 167 2HD2 ASN 21 2HD2 ASN 21 -19.959 -17.922 14.650 168 H GLY 22 H GLY 22 -19.088 -16.257 10.840 169 1HA GLY 22 1HA GLY 22 -18.464 -13.374 11.120 170 2HA GLY 22 2HA GLY 22 -17.327 -14.622 10.621 171 H ASP 23 H ASP 23 -17.904 -16.437 12.809 172 HA ASP 23 HA ASP 23 -17.217 -14.858 15.219 173 1HB ASP 23 2HB ASP 23 -17.460 -16.980 16.448 174 2HB ASP 23 1HB ASP 23 -18.889 -16.646 15.475 175 H GLY 24 H GLY 24 -15.520 -15.953 12.680 176 1HA GLY 24 1HA GLY 24 -13.052 -16.147 14.301 177 2HA GLY 24 2HA GLY 24 -13.122 -15.867 12.564 178 H LYS 25 H LYS 25 -15.232 -18.370 13.357 179 HA LYS 25 HA LYS 25 -13.158 -20.361 12.570 180 1HB LYS 25 2HB LYS 25 -14.093 -21.983 14.123 181 2HB LYS 25 1HB LYS 25 -13.683 -20.518 15.014 182 1HG LYS 25 2HG LYS 25 -15.952 -19.840 15.148 183 2HG LYS 25 1HG LYS 25 -16.450 -20.979 13.895 184 1HD LYS 25 2HD LYS 25 -15.534 -22.793 15.550 185 2HD LYS 25 1HD LYS 25 -15.715 -21.523 16.761 186 1HE LYS 25 2HE LYS 25 -18.010 -21.966 14.910 187 2HE LYS 25 1HE LYS 25 -17.723 -23.196 16.141 188 1HZ LYS 25 3HZ LYS 25 -17.575 -20.452 17.059 189 2HZ LYS 25 2HZ LYS 25 -19.118 -20.965 16.566 190 3HZ LYS 25 1HZ LYS 25 -18.291 -21.804 17.790 191 H ILE 26 H ILE 26 -13.838 -21.934 11.146 192 HA ILE 26 HA ILE 26 -16.601 -21.595 10.053 193 HB ILE 26 HB ILE 26 -14.338 -22.895 8.559 194 1HG1 ILE 26 2HG1 ILE 26 -14.926 -19.926 8.746 195 2HG1 ILE 26 1HG1 ILE 26 -13.463 -20.733 9.314 196 1HG2 ILE 26 2HG2 ILE 26 -16.722 -22.989 7.754 197 2HG2 ILE 26 1HG2 ILE 26 -16.699 -21.229 7.643 198 3HG2 ILE 26 3HG2 ILE 26 -15.624 -22.191 6.629 199 1HD1 ILE 26 2HD1 ILE 26 -13.957 -21.486 6.585 200 2HD1 ILE 26 1HD1 ILE 26 -13.988 -19.727 6.714 201 3HD1 ILE 26 3HD1 ILE 26 -12.570 -20.625 7.253 202 H SER 27 H SER 27 -17.918 -23.347 10.077 203 HA SER 27 HA SER 27 -16.781 -25.915 11.080 204 1HB SER 27 2HB SER 27 -18.862 -26.370 12.064 205 2HB SER 27 1HB SER 27 -18.734 -24.622 12.263 206 HG SER 27 HG SER 27 -20.530 -24.563 11.203 207 H ALA 28 H ALA 28 -17.963 -27.899 10.152 208 HA ALA 28 HA ALA 28 -17.631 -28.061 7.377 209 1HB ALA 28 1HB ALA 28 -19.762 -29.818 8.006 210 2HB ALA 28 3HB ALA 28 -18.046 -30.215 7.905 211 3HB ALA 28 2HB ALA 28 -18.750 -29.733 9.448 212 H ALA 29 H ALA 29 -20.623 -27.385 9.193 213 HA ALA 29 HA ALA 29 -22.358 -27.153 6.983 214 1HB ALA 29 1HB ALA 29 -22.380 -26.394 9.784 215 2HB ALA 29 2HB ALA 29 -23.733 -26.834 8.743 216 3HB ALA 29 3HB ALA 29 -23.166 -25.165 8.792 217 H GLU 30 H GLU 30 -20.192 -24.743 8.432 218 HA GLU 30 HA GLU 30 -21.034 -22.647 6.607 219 1HB GLU 30 2HB GLU 30 -18.587 -22.894 8.380 220 2HB GLU 30 1HB GLU 30 -19.035 -21.437 7.494 221 1HG GLU 30 2HG GLU 30 -21.204 -21.392 8.699 222 2HG GLU 30 1HG GLU 30 -20.714 -22.821 9.609 223 H LEU 31 H LEU 31 -18.031 -24.572 6.884 224 HA LEU 31 HA LEU 31 -16.882 -23.649 4.451 225 1HB LEU 31 2HB LEU 31 -15.757 -25.008 6.304 226 2HB LEU 31 1HB LEU 31 -16.531 -26.429 5.604 227 HG LEU 31 HG LEU 31 -14.886 -24.559 3.901 228 1HD1 LEU 31 3HD1 LEU 31 -13.844 -25.890 6.100 229 2HD1 LEU 31 2HD1 LEU 31 -13.550 -27.018 4.777 230 3HD1 LEU 31 1HD1 LEU 31 -12.923 -25.372 4.688 231 1HD2 LEU 31 3HD2 LEU 31 -16.408 -26.940 3.495 232 2HD2 LEU 31 2HD2 LEU 31 -15.452 -26.049 2.311 233 3HD2 LEU 31 1HD2 LEU 31 -14.708 -27.341 3.252 234 H GLY 32 H GLY 32 -18.932 -26.468 5.139 235 1HA GLY 32 1HA GLY 32 -20.202 -27.810 3.698 236 2HA GLY 32 2HA GLY 32 -18.991 -27.471 2.464 237 H GLU 33 H GLU 33 -21.151 -25.245 4.209 238 HA GLU 33 HA GLU 33 -23.041 -24.856 2.143 239 1HB GLU 33 2HB GLU 33 -22.137 -23.315 4.519 240 2HB GLU 33 1HB GLU 33 -23.020 -22.414 3.287 241 1HG GLU 33 2HG GLU 33 -24.756 -24.297 3.366 242 2HG GLU 33 1HG GLU 33 -23.944 -24.841 4.835 243 H ALA 34 H ALA 34 -19.952 -23.190 2.745 244 HA ALA 34 HA ALA 34 -20.272 -21.430 0.457 245 1HB ALA 34 1HB ALA 34 -18.787 -20.673 2.176 246 2HB ALA 34 2HB ALA 34 -17.757 -21.096 0.808 247 3HB ALA 34 3HB ALA 34 -17.902 -22.199 2.176 248 H LEU 35 H LEU 35 -18.645 -24.499 1.100 249 HA LEU 35 HA LEU 35 -17.309 -24.781 -1.388 250 1HB LEU 35 2HB LEU 35 -18.094 -26.533 0.834 251 2HB LEU 35 1HB LEU 35 -18.036 -27.360 -0.722 252 HG LEU 35 HG LEU 35 -15.812 -25.693 0.496 253 1HD1 LEU 35 3HD1 LEU 35 -16.133 -27.929 1.529 254 2HD1 LEU 35 2HD1 LEU 35 -16.007 -28.669 -0.068 255 3HD1 LEU 35 1HD1 LEU 35 -14.618 -27.834 0.630 256 1HD2 LEU 35 3HD2 LEU 35 -16.292 -26.823 -2.219 257 2HD2 LEU 35 2HD2 LEU 35 -15.389 -25.385 -1.743 258 3HD2 LEU 35 1HD2 LEU 35 -14.661 -26.981 -1.566 259 H LYS 36 H LYS 36 -20.677 -25.377 -0.481 260 HA LYS 36 HA LYS 36 -21.605 -26.943 -2.568 261 1HB LYS 36 2HB LYS 36 -22.745 -25.030 -0.759 262 2HB LYS 36 1HB LYS 36 -23.431 -24.764 -2.362 263 1HG LYS 36 2HG LYS 36 -23.982 -27.172 -2.519 264 2HG LYS 36 1HG LYS 36 -23.313 -27.425 -0.906 265 1HD LYS 36 2HD LYS 36 -25.112 -25.272 -0.646 266 2HD LYS 36 1HD LYS 36 -25.939 -26.458 -1.656 267 1HE LYS 36 2HE LYS 36 -24.817 -28.069 0.256 268 2HE LYS 36 1HE LYS 36 -25.167 -26.616 1.192 269 1HZ LYS 36 3HZ LYS 36 -27.212 -27.686 -0.626 270 2HZ LYS 36 2HZ LYS 36 -26.977 -28.427 0.885 271 3HZ LYS 36 1HZ LYS 36 -27.405 -26.785 0.797 272 H THR 37 H THR 37 -20.356 -23.688 -2.759 273 HA THR 37 HA THR 37 -21.432 -22.802 -5.197 274 HB THR 37 HB THR 37 -19.837 -21.561 -3.630 275 HG1 THR 37 HG1 THR 37 -20.462 -20.943 -5.837 276 1HG2 THR 37 1HG2 THR 37 -18.118 -23.374 -3.607 277 2HG2 THR 37 3HG2 THR 37 -17.764 -23.011 -5.296 278 3HG2 THR 37 2HG2 THR 37 -17.454 -21.802 -4.050 279 H LEU 38 H LEU 38 -19.114 -25.326 -4.572 280 HA LEU 38 HA LEU 38 -17.921 -25.507 -7.159 281 1HB LEU 38 2HB LEU 38 -18.501 -27.643 -5.086 282 2HB LEU 38 1HB LEU 38 -17.536 -27.923 -6.535 283 HG LEU 38 HG LEU 38 -16.938 -26.028 -4.251 284 1HD1 LEU 38 2HD1 LEU 38 -15.865 -28.605 -5.287 285 2HD1 LEU 38 1HD1 LEU 38 -14.683 -27.433 -4.706 286 3HD1 LEU 38 3HD1 LEU 38 -15.955 -28.010 -3.629 287 1HD2 LEU 38 3HD2 LEU 38 -15.709 -26.216 -7.013 288 2HD2 LEU 38 2HD2 LEU 38 -16.415 -24.793 -6.244 289 3HD2 LEU 38 1HD2 LEU 38 -14.891 -25.454 -5.648 290 H GLY 39 H GLY 39 -21.001 -26.638 -5.894 291 1HA GLY 39 1HA GLY 39 -22.159 -26.857 -8.508 292 2HA GLY 39 2HA GLY 39 -22.889 -27.460 -7.021 293 H SER 40 H SER 40 -20.040 -28.914 -6.862 294 HA SER 40 HA SER 40 -21.079 -31.415 -7.995 295 1HB SER 40 2HB SER 40 -19.050 -29.783 -9.354 296 2HB SER 40 1HB SER 40 -18.536 -31.447 -9.071 297 HG SER 40 HG SER 40 -20.977 -30.648 -10.275 298 H ILE 41 H ILE 41 -20.671 -30.922 -5.360 299 HA ILE 41 HA ILE 41 -18.300 -32.620 -4.779 300 HB ILE 41 HB ILE 41 -17.848 -30.100 -4.409 301 1HG1 ILE 41 2HG1 ILE 41 -17.511 -31.577 -1.836 302 2HG1 ILE 41 1HG1 ILE 41 -16.786 -32.277 -3.282 303 1HG2 ILE 41 3HG2 ILE 41 -20.242 -30.130 -3.132 304 2HG2 ILE 41 2HG2 ILE 41 -19.159 -30.386 -1.763 305 3HG2 ILE 41 1HG2 ILE 41 -18.975 -28.954 -2.779 306 1HD1 ILE 41 1HD1 ILE 41 -16.373 -29.403 -2.410 307 2HD1 ILE 41 3HD1 ILE 41 -15.257 -30.714 -2.025 308 3HD1 ILE 41 2HD1 ILE 41 -15.528 -30.251 -3.706 309 H THR 42 H THR 42 -18.442 -33.231 -2.307 310 HA THR 42 HA THR 42 -21.311 -33.693 -1.600 311 HB THR 42 HB THR 42 -21.027 -35.946 -1.481 312 HG1 THR 42 HG1 THR 42 -18.864 -36.727 -0.665 313 1HG2 THR 42 2HG2 THR 42 -19.922 -35.419 -3.652 314 2HG2 THR 42 1HG2 THR 42 -18.369 -35.376 -2.818 315 3HG2 THR 42 3HG2 THR 42 -19.281 -36.883 -2.906 316 HA PRO 43 HA PRO 43 -20.270 -32.356 2.488 317 1HB PRO 43 2HB PRO 43 -21.464 -34.177 4.093 318 2HB PRO 43 1HB PRO 43 -22.372 -32.959 3.193 319 1HG PRO 43 2HG PRO 43 -21.890 -35.842 2.530 320 2HG PRO 43 1HG PRO 43 -23.385 -34.909 2.407 321 1HD PRO 43 1HD PRO 43 -21.845 -35.423 0.249 322 2HD PRO 43 2HD PRO 43 -22.755 -33.920 0.408 323 H ASP 44 H ASP 44 -19.769 -35.789 1.822 324 HA ASP 44 HA ASP 44 -18.009 -36.351 3.986 325 1HB ASP 44 2HB ASP 44 -18.078 -37.570 1.209 326 2HB ASP 44 1HB ASP 44 -17.258 -38.265 2.607 327 H GLU 45 H GLU 45 -17.443 -34.751 0.888 328 HA GLU 45 HA GLU 45 -14.534 -34.918 1.170 329 1HB GLU 45 2HB GLU 45 -16.306 -33.280 -0.673 330 2HB GLU 45 1HB GLU 45 -14.546 -33.339 -0.772 331 1HG GLU 45 2HG GLU 45 -14.761 -35.865 -0.997 332 2HG GLU 45 1HG GLU 45 -16.496 -35.616 -1.193 333 H VAL 46 H VAL 46 -17.112 -32.576 1.713 334 HA VAL 46 HA VAL 46 -15.435 -30.366 2.413 335 HB VAL 46 HB VAL 46 -18.269 -31.090 3.184 336 1HG1 VAL 46 2HG1 VAL 46 -16.532 -29.221 4.458 337 2HG1 VAL 46 1HG1 VAL 46 -17.695 -28.299 3.509 338 3HG1 VAL 46 3HG1 VAL 46 -18.261 -29.446 4.723 339 1HG2 VAL 46 3HG2 VAL 46 -17.097 -30.074 0.842 340 2HG2 VAL 46 2HG2 VAL 46 -18.816 -30.094 1.237 341 3HG2 VAL 46 1HG2 VAL 46 -17.837 -28.680 1.627 342 H LYS 47 H LYS 47 -16.753 -33.063 4.263 343 HA LYS 47 HA LYS 47 -15.865 -32.078 6.836 344 1HB LYS 47 2HB LYS 47 -16.550 -34.876 5.883 345 2HB LYS 47 1HB LYS 47 -16.208 -34.463 7.562 346 1HG LYS 47 2HG LYS 47 -18.064 -32.782 7.471 347 2HG LYS 47 1HG LYS 47 -18.449 -33.350 5.847 348 1HD LYS 47 2HD LYS 47 -18.824 -35.629 6.743 349 2HD LYS 47 1HD LYS 47 -18.466 -35.041 8.367 350 1HE LYS 47 2HE LYS 47 -20.681 -33.940 6.612 351 2HE LYS 47 1HE LYS 47 -20.926 -35.157 7.865 352 1HZ LYS 47 2HZ LYS 47 -19.445 -33.056 8.963 353 2HZ LYS 47 1HZ LYS 47 -20.777 -32.378 8.156 354 3HZ LYS 47 3HZ LYS 47 -21.022 -33.549 9.358 355 H HIS 48 H HIS 48 -14.466 -34.150 4.344 356 HA HIS 48 HA HIS 48 -12.141 -34.921 5.854 357 1HB HIS 48 2HB HIS 48 -12.777 -36.165 3.859 358 2HB HIS 48 1HB HIS 48 -12.598 -34.721 2.863 359 HD1 HIS 48 HD1 HIS 48 -10.833 -37.661 3.442 360 HD2 HIS 48 HD2 HIS 48 -9.678 -33.656 3.536 361 HE1 HIS 48 HE1 HIS 48 -8.315 -37.634 3.165 362 H MET 49 H MET 49 -12.869 -32.184 3.705 363 HA MET 49 HA MET 49 -10.224 -31.134 3.554 364 1HB MET 49 2HB MET 49 -12.981 -30.008 3.245 365 2HB MET 49 1HB MET 49 -11.627 -28.889 3.381 366 1HG MET 49 2HG MET 49 -10.577 -30.594 1.585 367 2HG MET 49 1HG MET 49 -12.285 -30.816 1.207 368 1HE MET 49 2HE MET 49 -12.744 -30.196 -0.582 369 2HE MET 49 1HE MET 49 -13.362 -28.568 -0.845 370 3HE MET 49 3HE MET 49 -11.839 -29.071 -1.592 371 H MET 50 H MET 50 -12.874 -30.486 5.830 372 HA MET 50 HA MET 50 -11.465 -28.604 7.442 373 1HB MET 50 2HB MET 50 -13.797 -30.444 7.899 374 2HB MET 50 1HB MET 50 -13.110 -29.546 9.250 375 1HG MET 50 2HG MET 50 -13.313 -27.467 7.741 376 2HG MET 50 1HG MET 50 -14.361 -28.459 6.727 377 1HE MET 50 1HE MET 50 -13.625 -26.623 9.748 378 2HE MET 50 3HE MET 50 -15.060 -26.617 10.783 379 3HE MET 50 2HE MET 50 -13.965 -27.998 10.795 380 H ALA 51 H ALA 51 -11.857 -32.123 7.773 381 HA ALA 51 HA ALA 51 -10.301 -32.440 10.129 382 1HB ALA 51 1HB ALA 51 -11.635 -34.133 8.351 383 2HB ALA 51 3HB ALA 51 -9.946 -34.631 8.239 384 3HB ALA 51 2HB ALA 51 -10.763 -34.627 9.802 385 H GLU 52 H GLU 52 -9.366 -31.683 6.897 386 HA GLU 52 HA GLU 52 -6.544 -32.456 7.424 387 1HB GLU 52 2HB GLU 52 -8.086 -31.650 4.969 388 2HB GLU 52 1HB GLU 52 -6.328 -31.527 4.984 389 1HG GLU 52 2HG GLU 52 -6.430 -33.979 5.910 390 2HG GLU 52 1HG GLU 52 -8.054 -33.979 5.219 391 H ILE 53 H ILE 53 -8.599 -29.648 6.880 392 HA ILE 53 HA ILE 53 -6.357 -27.772 6.989 393 HB ILE 53 HB ILE 53 -9.349 -27.321 7.114 394 1HG1 ILE 53 2HG1 ILE 53 -7.404 -27.045 4.808 395 2HG1 ILE 53 1HG1 ILE 53 -8.511 -28.399 5.025 396 1HG2 ILE 53 1HG2 ILE 53 -7.022 -25.427 6.686 397 2HG2 ILE 53 3HG2 ILE 53 -8.719 -24.993 6.468 398 3HG2 ILE 53 2HG2 ILE 53 -8.122 -25.447 8.065 399 1HD1 ILE 53 2HD1 ILE 53 -9.661 -25.646 5.123 400 2HD1 ILE 53 1HD1 ILE 53 -9.180 -26.276 3.546 401 3HD1 ILE 53 3HD1 ILE 53 -10.373 -27.141 4.515 402 H ASP 54 H ASP 54 -8.787 -29.060 9.192 403 HA ASP 54 HA ASP 54 -8.515 -27.208 11.318 404 1HB ASP 54 2HB ASP 54 -10.124 -29.257 10.931 405 2HB ASP 54 1HB ASP 54 -8.879 -30.151 11.792 406 H THR 55 H THR 55 -6.412 -26.639 11.869 407 HA THR 55 HA THR 55 -4.224 -28.507 11.964 408 HB THR 55 HB THR 55 -3.026 -26.657 13.140 409 HG1 THR 55 HG1 THR 55 -4.160 -24.767 13.523 410 1HG2 THR 55 2HG2 THR 55 -4.638 -26.028 10.662 411 2HG2 THR 55 1HG2 THR 55 -3.369 -24.964 11.268 412 3HG2 THR 55 3HG2 THR 55 -2.974 -26.603 10.751 413 H ASP 56 H ASP 56 -6.225 -27.050 14.531 414 HA ASP 56 HA ASP 56 -4.884 -28.744 16.538 415 1HB ASP 56 2HB ASP 56 -6.021 -27.482 18.175 416 2HB ASP 56 1HB ASP 56 -5.703 -26.309 16.899 417 H GLY 57 H GLY 57 -8.017 -28.495 14.934 418 1HA GLY 57 1HA GLY 57 -8.570 -31.281 15.815 419 2HA GLY 57 2HA GLY 57 -9.313 -30.493 14.428 420 H ASP 58 H ASP 58 -9.853 -28.003 16.069 421 HA ASP 58 HA ASP 58 -11.669 -28.926 18.174 422 1HB ASP 58 2HB ASP 58 -12.173 -26.609 18.551 423 2HB ASP 58 1HB ASP 58 -10.444 -26.701 18.235 424 H GLY 59 H GLY 59 -11.850 -28.950 14.869 425 1HA GLY 59 1HA GLY 59 -14.816 -29.030 14.992 426 2HA GLY 59 2HA GLY 59 -13.825 -29.764 13.732 427 H PHE 60 H PHE 60 -12.608 -26.710 14.388 428 HA PHE 60 HA PHE 60 -14.090 -25.621 12.044 429 1HB PHE 60 2HB PHE 60 -13.361 -23.958 14.460 430 2HB PHE 60 1HB PHE 60 -14.374 -23.493 13.093 431 HD1 PHE 60 HD1 PHE 60 -16.642 -24.372 12.840 432 HD2 PHE 60 HD2 PHE 60 -14.201 -25.428 16.208 433 HE1 PHE 60 HE1 PHE 60 -18.640 -25.245 14.014 434 HE2 PHE 60 HE2 PHE 60 -16.198 -26.301 17.384 435 HZ PHE 60 HZ PHE 60 -18.421 -26.212 16.288 436 H ILE 61 H ILE 61 -12.978 -23.926 10.891 437 HA ILE 61 HA ILE 61 -10.025 -24.079 11.207 438 HB ILE 61 HB ILE 61 -11.577 -23.185 8.768 439 1HG1 ILE 61 2HG1 ILE 61 -12.194 -25.502 9.261 440 2HG1 ILE 61 1HG1 ILE 61 -11.110 -25.463 7.871 441 1HG2 ILE 61 2HG2 ILE 61 -8.719 -24.095 9.217 442 2HG2 ILE 61 1HG2 ILE 61 -9.419 -23.720 7.642 443 3HG2 ILE 61 3HG2 ILE 61 -9.246 -22.451 8.855 444 1HD1 ILE 61 3HD1 ILE 61 -9.201 -25.842 9.543 445 2HD1 ILE 61 2HD1 ILE 61 -10.453 -26.228 10.723 446 3HD1 ILE 61 1HD1 ILE 61 -10.280 -27.210 9.267 447 H SER 62 H SER 62 -9.035 -22.194 11.830 448 HA SER 62 HA SER 62 -10.692 -19.752 12.019 449 1HB SER 62 2HB SER 62 -7.878 -20.206 13.051 450 2HB SER 62 1HB SER 62 -8.983 -18.908 13.507 451 HG SER 62 HG SER 62 -9.085 -20.484 15.070 452 H PHE 63 H PHE 63 -9.454 -17.665 11.447 453 HA PHE 63 HA PHE 63 -8.797 -17.683 8.697 454 1HB PHE 63 2HB PHE 63 -9.416 -15.622 9.920 455 2HB PHE 63 1HB PHE 63 -7.887 -15.691 10.800 456 HD1 PHE 63 HD1 PHE 63 -8.878 -16.220 7.227 457 HD2 PHE 63 HD2 PHE 63 -6.366 -14.112 9.997 458 HE1 PHE 63 HE1 PHE 63 -7.746 -15.089 5.340 459 HE2 PHE 63 HE2 PHE 63 -5.227 -12.985 8.105 460 HZ PHE 63 HZ PHE 63 -5.925 -13.470 5.773 461 H GLN 64 H GLN 64 -6.697 -17.776 11.550 462 HA GLN 64 HA GLN 64 -4.211 -17.730 10.153 463 1HB GLN 64 2HB GLN 64 -4.560 -17.431 12.639 464 2HB GLN 64 1HB GLN 64 -4.818 -19.172 12.748 465 1HG GLN 64 2HG GLN 64 -2.491 -18.752 13.255 466 2HG GLN 64 1HG GLN 64 -2.559 -19.484 11.652 467 1HE2 GLN 64 1HE2 GLN 64 -0.940 -18.461 10.444 468 2HE2 GLN 64 2HE2 GLN 64 -0.716 -16.780 10.358 469 H GLU 65 H GLU 65 -6.267 -20.440 11.236 470 HA GLU 65 HA GLU 65 -4.570 -22.542 10.324 471 1HB GLU 65 2HB GLU 65 -7.493 -22.281 10.921 472 2HB GLU 65 1HB GLU 65 -6.918 -23.735 10.116 473 1HG GLU 65 2HG GLU 65 -5.311 -24.124 11.938 474 2HG GLU 65 1HG GLU 65 -5.853 -22.650 12.740 475 H PHE 66 H PHE 66 -7.303 -20.887 8.748 476 HA PHE 66 HA PHE 66 -7.171 -22.351 6.300 477 1HB PHE 66 2HB PHE 66 -9.082 -20.895 6.986 478 2HB PHE 66 1HB PHE 66 -8.067 -19.482 6.697 479 HD1 PHE 66 HD1 PHE 66 -7.245 -18.974 4.402 480 HD2 PHE 66 HD2 PHE 66 -10.040 -22.145 5.164 481 HE1 PHE 66 HE1 PHE 66 -7.814 -19.051 1.989 482 HE2 PHE 66 HE2 PHE 66 -10.609 -22.224 2.752 483 HZ PHE 66 HZ PHE 66 -9.496 -20.677 1.164 484 H THR 67 H THR 67 -5.482 -19.467 7.432 485 HA THR 67 HA THR 67 -4.265 -18.822 4.900 486 HB THR 67 HB THR 67 -3.440 -18.185 7.750 487 HG1 THR 67 HG1 THR 67 -5.032 -16.857 7.484 488 1HG2 THR 67 2HG2 THR 67 -2.300 -17.363 5.079 489 2HG2 THR 67 1HG2 THR 67 -2.132 -16.333 6.501 490 3HG2 THR 67 3HG2 THR 67 -1.446 -17.957 6.504 491 H ASP 68 H ASP 68 -3.108 -20.643 7.751 492 HA ASP 68 HA ASP 68 -0.542 -21.292 6.723 493 1HB ASP 68 2HB ASP 68 -2.331 -22.887 8.581 494 2HB ASP 68 1HB ASP 68 -0.618 -23.208 8.315 495 H PHE 69 H PHE 69 -3.696 -22.824 6.255 496 HA PHE 69 HA PHE 69 -2.598 -25.055 4.742 497 1HB PHE 69 2HB PHE 69 -4.611 -25.724 5.620 498 2HB PHE 69 1HB PHE 69 -5.275 -24.093 5.601 499 HD1 PHE 69 HD1 PHE 69 -5.898 -23.086 3.329 500 HD2 PHE 69 HD2 PHE 69 -5.209 -27.274 3.952 501 HE1 PHE 69 HE1 PHE 69 -7.138 -23.600 1.239 502 HE2 PHE 69 HE2 PHE 69 -6.441 -27.793 1.868 503 HZ PHE 69 HZ PHE 69 -7.410 -25.956 0.508 504 H GLY 70 H GLY 70 -4.038 -21.911 4.024 505 1HA GLY 70 1HA GLY 70 -4.053 -20.668 2.032 506 2HA GLY 70 2HA GLY 70 -4.350 -22.206 1.218 507 H ARG 71 H ARG 71 -1.502 -21.630 3.188 508 HA ARG 71 HA ARG 71 0.246 -20.860 1.022 509 1HB ARG 71 2HB ARG 71 0.886 -22.136 3.702 510 2HB ARG 71 1HB ARG 71 2.071 -21.412 2.614 511 1HG ARG 71 2HG ARG 71 0.882 -19.243 2.784 512 2HG ARG 71 1HG ARG 71 -0.270 -19.973 3.902 513 1HD ARG 71 2HD ARG 71 2.724 -19.741 4.343 514 2HD ARG 71 1HD ARG 71 1.488 -18.762 5.134 515 HE ARG 71 HE ARG 71 1.180 -21.661 5.500 516 1HH1 ARG 71 1HH1 ARG 71 0.508 -19.084 7.218 517 2HH1 ARG 71 2HH1 ARG 71 1.493 -19.417 8.604 518 1HH2 ARG 71 1HH2 ARG 71 3.305 -21.927 7.043 519 2HH2 ARG 71 2HH2 ARG 71 3.076 -21.026 8.504 520 H ALA 72 H ALA 72 -0.835 -23.916 2.358 521 HA ALA 72 HA ALA 72 1.136 -25.570 1.047 522 1HB ALA 72 3HB ALA 72 0.141 -27.128 2.334 523 2HB ALA 72 1HB ALA 72 -1.345 -26.971 1.395 524 3HB ALA 72 2HB ALA 72 -1.079 -25.942 2.804 525 H ASN 73 H ASN 73 -1.748 -23.969 0.002 526 HA ASN 73 HA ASN 73 -1.309 -24.992 -2.732 527 1HB ASN 73 2HB ASN 73 -4.119 -25.085 -1.673 528 2HB ASN 73 1HB ASN 73 -3.415 -25.957 -3.035 529 1HD2 ASN 73 1HD2 ASN 73 -4.273 -26.238 0.261 530 2HD2 ASN 73 2HD2 ASN 73 -3.430 -27.671 0.604 531 H ARG 74 H ARG 74 -0.690 -22.502 -2.121 532 HA ARG 74 HA ARG 74 -2.619 -20.489 -1.936 533 1HB ARG 74 2HB ARG 74 -1.015 -19.064 -3.235 534 2HB ARG 74 1HB ARG 74 -0.240 -19.958 -1.927 535 1HG ARG 74 2HG ARG 74 0.312 -21.756 -3.642 536 2HG ARG 74 1HG ARG 74 -0.218 -20.619 -4.882 537 1HD ARG 74 2HD ARG 74 2.090 -20.205 -4.771 538 2HD ARG 74 1HD ARG 74 1.430 -18.962 -3.707 539 HE ARG 74 HE ARG 74 2.097 -20.378 -1.786 540 1HH1 ARG 74 1HH1 ARG 74 2.342 -22.815 -3.758 541 2HH1 ARG 74 2HH1 ARG 74 4.054 -23.063 -3.690 542 1HH2 ARG 74 1HH2 ARG 74 4.706 -20.005 -2.190 543 2HH2 ARG 74 2HH2 ARG 74 5.393 -21.473 -2.802 544 H GLY 75 H GLY 75 -1.624 -22.362 -4.746 545 1HA GLY 75 1HA GLY 75 -2.623 -22.620 -6.836 546 2HA GLY 75 2HA GLY 75 -3.040 -20.910 -6.738 547 H LEU 76 H LEU 76 -4.091 -23.262 -4.355 548 HA LEU 76 HA LEU 76 -6.665 -23.811 -5.525 549 1HB LEU 76 2HB LEU 76 -5.548 -24.075 -2.733 550 2HB LEU 76 1HB LEU 76 -7.230 -24.464 -3.095 551 HG LEU 76 HG LEU 76 -4.797 -25.694 -4.429 552 1HD1 LEU 76 2HD1 LEU 76 -6.107 -26.289 -1.978 553 2HD1 LEU 76 1HD1 LEU 76 -6.569 -27.547 -3.125 554 3HD1 LEU 76 3HD1 LEU 76 -4.865 -27.239 -2.793 555 1HD2 LEU 76 1HD2 LEU 76 -7.593 -25.520 -5.196 556 2HD2 LEU 76 3HD2 LEU 76 -6.234 -26.193 -6.095 557 3HD2 LEU 76 2HD2 LEU 76 -7.115 -27.198 -4.943 558 H LEU 77 H LEU 77 -5.584 -21.523 -3.026 559 HA LEU 77 HA LEU 77 -8.173 -20.395 -2.531 560 1HB LEU 77 2HB LEU 77 -5.492 -19.007 -2.253 561 2HB LEU 77 1HB LEU 77 -6.987 -18.603 -1.410 562 HG LEU 77 HG LEU 77 -5.294 -21.092 -1.090 563 1HD1 LEU 77 3HD1 LEU 77 -5.933 -18.663 0.513 564 2HD1 LEU 77 2HD1 LEU 77 -5.805 -20.187 1.393 565 3HD1 LEU 77 1HD1 LEU 77 -4.441 -19.601 0.440 566 1HD2 LEU 77 3HD2 LEU 77 -8.133 -20.521 -0.221 567 2HD2 LEU 77 2HD2 LEU 77 -7.529 -21.919 -1.110 568 3HD2 LEU 77 1HD2 LEU 77 -7.124 -21.715 0.596 569 H LYS 78 H LYS 78 -5.946 -20.021 -5.148 570 HA LYS 78 HA LYS 78 -6.941 -17.400 -5.983 571 1HB LYS 78 2HB LYS 78 -5.262 -19.481 -7.418 572 2HB LYS 78 1HB LYS 78 -5.627 -17.881 -8.062 573 1HG LYS 78 2HG LYS 78 -4.679 -17.011 -5.793 574 2HG LYS 78 1HG LYS 78 -3.952 -18.613 -5.668 575 1HD LYS 78 2HD LYS 78 -3.602 -16.723 -8.017 576 2HD LYS 78 1HD LYS 78 -2.415 -16.974 -6.736 577 1HE LYS 78 2HE LYS 78 -3.361 -19.480 -7.933 578 2HE LYS 78 1HE LYS 78 -2.557 -18.422 -9.093 579 1HZ LYS 78 3HZ LYS 78 -0.742 -18.196 -7.409 580 2HZ LYS 78 2HZ LYS 78 -1.483 -19.444 -6.526 581 3HZ LYS 78 1HZ LYS 78 -0.893 -19.741 -8.091 582 H ASP 79 H ASP 79 -7.892 -20.701 -6.404 583 HA ASP 79 HA ASP 79 -9.519 -20.126 -8.792 584 1HB ASP 79 2HB ASP 79 -8.837 -22.549 -7.177 585 2HB ASP 79 1HB ASP 79 -10.315 -22.578 -8.139 586 H VAL 80 H VAL 80 -9.973 -20.828 -5.353 587 HA VAL 80 HA VAL 80 -12.865 -20.757 -5.467 588 HB VAL 80 HB VAL 80 -11.230 -21.752 -3.661 589 1HG1 VAL 80 1HG1 VAL 80 -11.662 -18.931 -2.644 590 2HG1 VAL 80 3HG1 VAL 80 -11.003 -20.262 -1.691 591 3HG1 VAL 80 2HG1 VAL 80 -10.115 -19.653 -3.087 592 1HG2 VAL 80 1HG2 VAL 80 -13.867 -20.375 -3.135 593 2HG2 VAL 80 3HG2 VAL 80 -13.580 -22.086 -3.450 594 3HG2 VAL 80 2HG2 VAL 80 -13.072 -21.375 -1.919 595 H ALA 81 H ALA 81 -10.338 -18.417 -4.737 596 HA ALA 81 HA ALA 81 -11.990 -16.288 -3.821 597 1HB ALA 81 1HB ALA 81 -9.413 -16.453 -3.840 598 2HB ALA 81 3HB ALA 81 -9.517 -15.864 -5.498 599 3HB ALA 81 2HB ALA 81 -10.124 -14.874 -4.171 600 H LYS 82 H LYS 82 -11.743 -17.698 -6.929 601 HA LYS 82 HA LYS 82 -12.793 -15.255 -8.260 602 1HB LYS 82 2HB LYS 82 -11.955 -17.940 -9.401 603 2HB LYS 82 1HB LYS 82 -12.489 -16.555 -10.353 604 1HG LYS 82 2HG LYS 82 -10.611 -15.245 -9.163 605 2HG LYS 82 1HG LYS 82 -9.992 -16.823 -8.675 606 1HD LYS 82 2HD LYS 82 -9.961 -17.511 -11.073 607 2HD LYS 82 1HD LYS 82 -10.474 -15.884 -11.518 608 1HE LYS 82 2HE LYS 82 -8.119 -15.821 -11.741 609 2HE LYS 82 1HE LYS 82 -8.417 -15.081 -10.169 610 1HZ LYS 82 3HZ LYS 82 -7.912 -17.980 -10.444 611 2HZ LYS 82 2HZ LYS 82 -6.637 -16.867 -10.302 612 3HZ LYS 82 1HZ LYS 82 -7.783 -17.012 -9.057 613 H ILE 83 H ILE 83 -13.705 -18.487 -7.250 614 HA ILE 83 HA ILE 83 -16.100 -18.818 -8.714 615 HB ILE 83 HB ILE 83 -15.418 -19.658 -5.882 616 1HG1 ILE 83 2HG1 ILE 83 -15.179 -20.950 -8.603 617 2HG1 ILE 83 1HG1 ILE 83 -13.912 -20.694 -7.405 618 1HG2 ILE 83 3HG2 ILE 83 -17.662 -20.571 -7.709 619 2HG2 ILE 83 2HG2 ILE 83 -17.267 -21.280 -6.143 620 3HG2 ILE 83 1HG2 ILE 83 -17.856 -19.621 -6.236 621 1HD1 ILE 83 3HD1 ILE 83 -15.708 -22.183 -5.970 622 2HD1 ILE 83 2HD1 ILE 83 -15.923 -22.850 -7.589 623 3HD1 ILE 83 1HD1 ILE 83 -14.328 -22.859 -6.836 624 H PHE 84 H PHE 84 -15.379 -16.818 -5.924 625 HA PHE 84 HA PHE 84 -18.245 -16.059 -5.690 626 1HB PHE 84 2HB PHE 84 -15.845 -15.385 -3.961 627 2HB PHE 84 1HB PHE 84 -17.496 -14.852 -3.641 628 HD1 PHE 84 HD1 PHE 84 -15.227 -17.762 -3.778 629 HD2 PHE 84 HD2 PHE 84 -19.199 -16.403 -2.868 630 HE1 PHE 84 HE1 PHE 84 -15.707 -19.919 -2.654 631 HE2 PHE 84 HE2 PHE 84 -19.679 -18.561 -1.743 632 HZ PHE 84 HZ PHE 84 -17.933 -20.319 -1.636 No H/Q in entry = 632 Start of MODEL 8 1 H1 ALA 1 1H ALA 1 10.845 -16.309 -0.923 2 H2 ALA 1 3H ALA 1 10.952 -17.440 0.337 3 H3 ALA 1 2H ALA 1 9.667 -17.523 -0.772 4 HA ALA 1 HA ALA 1 8.700 -16.560 1.092 5 1HB ALA 1 3HB ALA 1 10.648 -14.367 1.422 6 2HB ALA 1 2HB ALA 1 9.857 -15.364 2.644 7 3HB ALA 1 1HB ALA 1 11.283 -15.968 1.801 8 H ASP 2 H ASP 2 8.319 -16.145 -1.640 9 HA ASP 2 HA ASP 2 8.311 -13.268 -2.193 10 1HB ASP 2 2HB ASP 2 7.125 -15.627 -3.684 11 2HB ASP 2 1HB ASP 2 7.101 -13.966 -4.275 12 H ASP 3 H ASP 3 6.526 -14.993 -0.118 13 HA ASP 3 HA ASP 3 3.828 -14.231 -0.867 14 1HB ASP 3 2HB ASP 3 5.024 -15.128 1.770 15 2HB ASP 3 1HB ASP 3 3.301 -14.862 1.511 16 H HIS 4 H HIS 4 2.904 -12.252 -0.601 17 HA HIS 4 HA HIS 4 4.313 -10.302 1.173 18 1HB HIS 4 2HB HIS 4 2.668 -8.753 -0.348 19 2HB HIS 4 1HB HIS 4 4.332 -9.124 -0.784 20 HD1 HIS 4 HD1 HIS 4 0.784 -9.945 -1.656 21 HD2 HIS 4 HD2 HIS 4 4.611 -11.038 -2.888 22 HE1 HIS 4 HE1 HIS 4 0.500 -11.214 -3.829 23 HA PRO 5 HA PRO 5 0.732 -9.770 3.726 24 1HB PRO 5 2HB PRO 5 0.367 -7.089 3.823 25 2HB PRO 5 1HB PRO 5 1.691 -7.908 4.657 26 1HG PRO 5 2HG PRO 5 1.708 -6.468 2.027 27 2HG PRO 5 1HG PRO 5 2.882 -6.385 3.346 28 1HD PRO 5 1HD PRO 5 3.332 -7.884 1.154 29 2HD PRO 5 2HD PRO 5 3.886 -8.392 2.750 30 H GLN 6 H GLN 6 0.685 -8.323 0.549 31 HA GLN 6 HA GLN 6 -2.054 -7.528 0.449 32 1HB GLN 6 2HB GLN 6 0.049 -8.226 -1.559 33 2HB GLN 6 1HB GLN 6 -1.626 -8.162 -2.106 34 1HG GLN 6 2HG GLN 6 -1.860 -5.880 -1.389 35 2HG GLN 6 1HG GLN 6 -0.320 -5.930 -0.532 36 1HE2 GLN 6 1HE2 GLN 6 1.560 -6.758 -2.197 37 2HE2 GLN 6 2HE2 GLN 6 1.572 -5.925 -3.675 38 H ASP 7 H ASP 7 -0.441 -10.613 -0.203 39 HA ASP 7 HA ASP 7 -2.631 -12.050 -1.257 40 1HB ASP 7 2HB ASP 7 -0.317 -12.928 0.480 41 2HB ASP 7 1HB ASP 7 -1.489 -14.068 -0.179 42 H LYS 8 H LYS 8 -1.678 -11.583 2.139 43 HA LYS 8 HA LYS 8 -3.621 -13.140 3.408 44 1HB LYS 8 2HB LYS 8 -2.195 -10.614 4.113 45 2HB LYS 8 1HB LYS 8 -3.578 -11.075 5.106 46 1HG LYS 8 2HG LYS 8 -2.381 -13.454 5.027 47 2HG LYS 8 1HG LYS 8 -0.953 -12.459 4.744 48 1HD LYS 8 2HD LYS 8 -1.749 -11.071 6.773 49 2HD LYS 8 1HD LYS 8 -2.815 -12.433 7.122 50 1HE LYS 8 2HE LYS 8 -0.453 -12.394 8.222 51 2HE LYS 8 1HE LYS 8 -1.018 -13.901 7.503 52 1HZ LYS 8 1HZ LYS 8 0.484 -11.976 5.865 53 2HZ LYS 8 3HZ LYS 8 1.321 -13.005 6.922 54 3HZ LYS 8 2HZ LYS 8 0.349 -13.660 5.692 55 H ALA 9 H ALA 9 -3.958 -9.939 1.954 56 HA ALA 9 HA ALA 9 -6.564 -9.321 2.891 57 1HB ALA 9 2HB ALA 9 -4.744 -8.221 1.037 58 2HB ALA 9 3HB ALA 9 -6.262 -7.508 1.581 59 3HB ALA 9 1HB ALA 9 -6.230 -8.511 0.132 60 H GLU 10 H GLU 10 -5.513 -11.103 0.008 61 HA GLU 10 HA GLU 10 -8.176 -11.702 -0.912 62 1HB GLU 10 2HB GLU 10 -5.671 -13.335 -1.405 63 2HB GLU 10 1HB GLU 10 -7.117 -13.271 -2.412 64 1HG GLU 10 2HG GLU 10 -6.679 -10.821 -2.768 65 2HG GLU 10 1HG GLU 10 -5.153 -11.016 -1.905 66 H ARG 11 H ARG 11 -5.885 -13.363 1.205 67 HA ARG 11 HA ARG 11 -7.430 -15.770 1.514 68 1HB ARG 11 2HB ARG 11 -5.367 -14.462 3.306 69 2HB ARG 11 1HB ARG 11 -6.034 -16.070 3.580 70 1HG ARG 11 2HG ARG 11 -5.308 -16.466 1.073 71 2HG ARG 11 1HG ARG 11 -4.224 -15.112 1.385 72 1HD ARG 11 2HD ARG 11 -3.610 -16.451 3.553 73 2HD ARG 11 1HD ARG 11 -4.284 -17.826 2.678 74 HE ARG 11 HE ARG 11 -1.872 -16.292 1.881 75 1HH1 ARG 11 1HH1 ARG 11 -3.944 -17.499 -0.190 76 2HH1 ARG 11 2HH1 ARG 11 -3.069 -18.920 -0.651 77 1HH2 ARG 11 1HH2 ARG 11 -0.810 -18.702 1.970 78 2HH2 ARG 11 2HH2 ARG 11 -1.293 -19.602 0.572 79 H GLU 12 H GLU 12 -7.265 -12.739 3.326 80 HA GLU 12 HA GLU 12 -9.064 -13.506 5.420 81 1HB GLU 12 2HB GLU 12 -7.975 -10.943 4.357 82 2HB GLU 12 1HB GLU 12 -9.428 -10.849 5.350 83 1HG GLU 12 2HG GLU 12 -8.098 -12.441 6.960 84 2HG GLU 12 1HG GLU 12 -6.687 -11.834 6.094 85 H ARG 13 H ARG 13 -9.573 -11.892 2.296 86 HA ARG 13 HA ARG 13 -12.388 -11.470 2.640 87 1HB ARG 13 2HB ARG 13 -10.796 -11.855 0.087 88 2HB ARG 13 1HB ARG 13 -12.433 -11.208 0.180 89 1HG ARG 13 2HG ARG 13 -11.704 -9.270 1.363 90 2HG ARG 13 1HG ARG 13 -10.123 -9.976 1.693 91 1HD ARG 13 2HD ARG 13 -9.759 -8.458 -0.107 92 2HD ARG 13 1HD ARG 13 -9.808 -10.053 -0.856 93 HE ARG 13 HE ARG 13 -12.447 -8.986 -0.866 94 1HH1 ARG 13 1HH1 ARG 13 -9.820 -7.162 -1.702 95 2HH1 ARG 13 2HH1 ARG 13 -10.194 -7.032 -3.389 96 1HH2 ARG 13 1HH2 ARG 13 -12.731 -9.392 -3.279 97 2HH2 ARG 13 2HH2 ARG 13 -11.841 -8.295 -4.282 98 H ILE 14 H ILE 14 -10.516 -14.138 1.241 99 HA ILE 14 HA ILE 14 -12.828 -15.663 0.426 100 HB ILE 14 HB ILE 14 -10.048 -16.667 1.108 101 1HG1 ILE 14 2HG1 ILE 14 -10.983 -16.073 -1.676 102 2HG1 ILE 14 1HG1 ILE 14 -10.423 -14.740 -0.670 103 1HG2 ILE 14 1HG2 ILE 14 -12.497 -17.853 -0.052 104 2HG2 ILE 14 3HG2 ILE 14 -11.011 -18.197 -0.938 105 3HG2 ILE 14 2HG2 ILE 14 -11.145 -18.637 0.764 106 1HD1 ILE 14 2HD1 ILE 14 -8.313 -16.004 -0.238 107 2HD1 ILE 14 1HD1 ILE 14 -8.872 -17.257 -1.347 108 3HD1 ILE 14 3HD1 ILE 14 -8.540 -15.633 -1.946 109 H PHE 15 H PHE 15 -10.697 -15.777 3.292 110 HA PHE 15 HA PHE 15 -12.077 -17.928 4.577 111 1HB PHE 15 2HB PHE 15 -9.833 -17.161 5.287 112 2HB PHE 15 1HB PHE 15 -10.534 -15.641 5.849 113 HD1 PHE 15 HD1 PHE 15 -12.039 -15.605 7.816 114 HD2 PHE 15 HD2 PHE 15 -10.198 -19.246 6.474 115 HE1 PHE 15 HE1 PHE 15 -12.641 -16.701 9.959 116 HE2 PHE 15 HE2 PHE 15 -10.801 -20.343 8.615 117 HZ PHE 15 HZ PHE 15 -12.026 -19.073 10.358 118 H LYS 16 H LYS 16 -12.592 -14.435 4.543 119 HA LYS 16 HA LYS 16 -14.560 -14.377 6.634 120 1HB LYS 16 2HB LYS 16 -13.848 -12.558 4.348 121 2HB LYS 16 1HB LYS 16 -15.308 -12.250 5.289 122 1HG LYS 16 2HG LYS 16 -13.840 -12.402 7.370 123 2HG LYS 16 1HG LYS 16 -12.451 -12.366 6.284 124 1HD LYS 16 2HD LYS 16 -13.411 -10.233 5.301 125 2HD LYS 16 1HD LYS 16 -14.586 -10.241 6.617 126 1HE LYS 16 2HE LYS 16 -12.687 -10.291 8.246 127 2HE LYS 16 1HE LYS 16 -11.567 -10.139 6.892 128 1HZ LYS 16 2HZ LYS 16 -13.139 -8.124 6.334 129 2HZ LYS 16 1HZ LYS 16 -13.413 -8.167 8.010 130 3HZ LYS 16 3HZ LYS 16 -11.839 -7.960 7.416 131 H ARG 17 H ARG 17 -14.716 -15.094 3.193 132 HA ARG 17 HA ARG 17 -17.598 -14.987 3.002 133 1HB ARG 17 2HB ARG 17 -15.479 -16.346 1.320 134 2HB ARG 17 1HB ARG 17 -17.196 -16.379 0.916 135 1HG ARG 17 2HG ARG 17 -17.164 -13.846 1.027 136 2HG ARG 17 1HG ARG 17 -15.407 -13.945 1.151 137 1HD ARG 17 2HD ARG 17 -15.672 -15.498 -0.979 138 2HD ARG 17 1HD ARG 17 -17.188 -14.617 -1.161 139 HE ARG 17 HE ARG 17 -15.455 -12.566 -0.833 140 1HH1 ARG 17 1HH1 ARG 17 -13.996 -15.318 -1.936 141 2HH1 ARG 17 2HH1 ARG 17 -13.561 -14.705 -3.496 142 1HH2 ARG 17 1HH2 ARG 17 -15.451 -11.815 -3.181 143 2HH2 ARG 17 2HH2 ARG 17 -14.384 -12.722 -4.200 144 H PHE 18 H PHE 18 -15.254 -17.472 3.861 145 HA PHE 18 HA PHE 18 -17.157 -19.653 3.827 146 1HB PHE 18 2HB PHE 18 -14.411 -19.281 5.015 147 2HB PHE 18 1HB PHE 18 -15.349 -20.743 5.321 148 HD1 PHE 18 HD1 PHE 18 -16.283 -22.012 3.272 149 HD2 PHE 18 HD2 PHE 18 -13.184 -19.048 3.018 150 HE1 PHE 18 HE1 PHE 18 -15.604 -22.910 1.062 151 HE2 PHE 18 HE2 PHE 18 -12.507 -19.944 0.807 152 HZ PHE 18 HZ PHE 18 -13.717 -21.876 -0.170 153 H ASP 19 H ASP 19 -15.758 -17.683 6.457 154 HA ASP 19 HA ASP 19 -17.217 -18.885 8.578 155 1HB ASP 19 2HB ASP 19 -15.312 -17.090 8.645 156 2HB ASP 19 1HB ASP 19 -16.636 -15.927 8.542 157 H ALA 20 H ALA 20 -19.409 -19.204 8.290 158 HA ALA 20 HA ALA 20 -21.125 -17.428 6.858 159 1HB ALA 20 1HB ALA 20 -21.635 -19.814 7.233 160 2HB ALA 20 3HB ALA 20 -21.840 -19.494 8.956 161 3HB ALA 20 2HB ALA 20 -22.952 -18.780 7.787 162 H ASN 21 H ASN 21 -20.833 -17.921 10.422 163 HA ASN 21 HA ASN 21 -22.525 -15.537 10.807 164 1HB ASN 21 2HB ASN 21 -22.444 -16.066 13.180 165 2HB ASN 21 1HB ASN 21 -22.805 -17.531 12.271 166 1HD2 ASN 21 1HD2 ASN 21 -21.568 -17.327 14.942 167 2HD2 ASN 21 2HD2 ASN 21 -20.054 -18.078 14.826 168 H GLY 22 H GLY 22 -19.168 -16.373 10.785 169 1HA GLY 22 1HA GLY 22 -18.492 -13.531 11.112 170 2HA GLY 22 2HA GLY 22 -17.366 -14.817 10.681 171 H ASP 23 H ASP 23 -17.880 -16.576 12.854 172 HA ASP 23 HA ASP 23 -17.292 -14.931 15.256 173 1HB ASP 23 2HB ASP 23 -17.608 -16.998 16.543 174 2HB ASP 23 1HB ASP 23 -18.996 -16.700 15.501 175 H GLY 24 H GLY 24 -15.545 -16.062 12.792 176 1HA GLY 24 1HA GLY 24 -13.126 -16.299 14.484 177 2HA GLY 24 2HA GLY 24 -13.139 -15.981 12.753 178 H LYS 25 H LYS 25 -15.281 -18.501 13.540 179 HA LYS 25 HA LYS 25 -13.208 -20.479 12.708 180 1HB LYS 25 2HB LYS 25 -14.121 -22.111 14.241 181 2HB LYS 25 1HB LYS 25 -13.799 -20.639 15.157 182 1HG LYS 25 2HG LYS 25 -16.110 -20.024 15.140 183 2HG LYS 25 1HG LYS 25 -16.500 -21.261 13.947 184 1HD LYS 25 2HD LYS 25 -15.640 -22.958 15.684 185 2HD LYS 25 1HD LYS 25 -15.734 -21.634 16.846 186 1HE LYS 25 2HE LYS 25 -17.806 -23.126 16.682 187 2HE LYS 25 1HE LYS 25 -18.088 -21.392 16.528 188 1HZ LYS 25 2HZ LYS 25 -17.514 -22.853 14.075 189 2HZ LYS 25 1HZ LYS 25 -19.022 -23.151 14.797 190 3HZ LYS 25 3HZ LYS 25 -18.595 -21.573 14.350 191 H ILE 26 H ILE 26 -13.869 -21.990 11.216 192 HA ILE 26 HA ILE 26 -16.643 -21.655 10.149 193 HB ILE 26 HB ILE 26 -14.339 -22.827 8.600 194 1HG1 ILE 26 2HG1 ILE 26 -15.069 -19.902 8.917 195 2HG1 ILE 26 1HG1 ILE 26 -13.542 -20.659 9.368 196 1HG2 ILE 26 3HG2 ILE 26 -16.685 -23.051 7.770 197 2HG2 ILE 26 2HG2 ILE 26 -16.821 -21.293 7.769 198 3HG2 ILE 26 1HG2 ILE 26 -15.674 -22.088 6.693 199 1HD1 ILE 26 2HD1 ILE 26 -14.146 -21.296 6.628 200 2HD1 ILE 26 1HD1 ILE 26 -14.245 -19.550 6.854 201 3HD1 ILE 26 3HD1 ILE 26 -12.763 -20.410 7.270 202 H SER 27 H SER 27 -17.924 -23.449 10.089 203 HA SER 27 HA SER 27 -16.722 -26.015 11.012 204 1HB SER 27 2HB SER 27 -18.794 -26.561 11.958 205 2HB SER 27 1HB SER 27 -18.737 -24.814 12.201 206 HG SER 27 HG SER 27 -20.562 -26.168 10.924 207 H ALA 28 H ALA 28 -17.793 -27.999 9.982 208 HA ALA 28 HA ALA 28 -17.421 -28.031 7.209 209 1HB ALA 28 1HB ALA 28 -19.250 -29.742 8.917 210 2HB ALA 28 2HB ALA 28 -17.599 -30.118 8.421 211 3HB ALA 28 3HB ALA 28 -18.895 -30.086 7.224 212 H ALA 29 H ALA 29 -20.445 -27.518 9.007 213 HA ALA 29 HA ALA 29 -22.163 -27.268 6.773 214 1HB ALA 29 2HB ALA 29 -23.118 -27.402 8.981 215 2HB ALA 29 1HB ALA 29 -22.253 -25.955 9.499 216 3HB ALA 29 3HB ALA 29 -23.558 -25.827 8.321 217 H GLU 30 H GLU 30 -20.086 -24.867 8.359 218 HA GLU 30 HA GLU 30 -21.019 -22.700 6.664 219 1HB GLU 30 2HB GLU 30 -18.553 -22.950 8.410 220 2HB GLU 30 1HB GLU 30 -19.062 -21.464 7.609 221 1HG GLU 30 2HG GLU 30 -21.230 -21.580 8.822 222 2HG GLU 30 1HG GLU 30 -20.663 -23.024 9.661 223 H LEU 31 H LEU 31 -17.947 -24.533 6.804 224 HA LEU 31 HA LEU 31 -16.890 -23.424 4.393 225 1HB LEU 31 2HB LEU 31 -15.403 -24.594 5.886 226 2HB LEU 31 1HB LEU 31 -16.378 -26.061 5.795 227 HG LEU 31 HG LEU 31 -15.848 -26.270 3.395 228 1HD1 LEU 31 1HD1 LEU 31 -14.555 -23.622 3.931 229 2HD1 LEU 31 3HD1 LEU 31 -13.830 -24.682 2.722 230 3HD1 LEU 31 2HD1 LEU 31 -15.498 -24.143 2.535 231 1HD2 LEU 31 3HD2 LEU 31 -13.649 -26.072 5.429 232 2HD2 LEU 31 2HD2 LEU 31 -14.312 -27.505 4.642 233 3HD2 LEU 31 1HD2 LEU 31 -13.238 -26.425 3.751 234 H GLY 32 H GLY 32 -18.823 -26.336 5.015 235 1HA GLY 32 1HA GLY 32 -20.040 -27.696 3.540 236 2HA GLY 32 2HA GLY 32 -18.837 -27.288 2.319 237 H GLU 33 H GLU 33 -21.078 -25.163 4.099 238 HA GLU 33 HA GLU 33 -22.968 -24.816 2.021 239 1HB GLU 33 2HB GLU 33 -22.134 -23.232 4.413 240 2HB GLU 33 1HB GLU 33 -23.138 -22.433 3.206 241 1HG GLU 33 2HG GLU 33 -24.682 -24.468 3.349 242 2HG GLU 33 1HG GLU 33 -23.770 -24.933 4.784 243 H ALA 34 H ALA 34 -19.954 -23.046 2.691 244 HA ALA 34 HA ALA 34 -20.332 -21.249 0.437 245 1HB ALA 34 2HB ALA 34 -18.837 -20.231 1.841 246 2HB ALA 34 1HB ALA 34 -18.236 -21.765 2.470 247 3HB ALA 34 3HB ALA 34 -17.653 -21.158 0.920 248 H LEU 35 H LEU 35 -18.542 -24.231 1.060 249 HA LEU 35 HA LEU 35 -17.170 -24.391 -1.424 250 1HB LEU 35 2HB LEU 35 -17.980 -26.322 0.698 251 2HB LEU 35 1HB LEU 35 -17.522 -26.992 -0.868 252 HG LEU 35 HG LEU 35 -15.855 -25.122 0.844 253 1HD1 LEU 35 2HD1 LEU 35 -15.772 -28.067 0.214 254 2HD1 LEU 35 1HD1 LEU 35 -14.297 -27.202 0.648 255 3HD1 LEU 35 3HD1 LEU 35 -15.646 -27.269 1.782 256 1HD2 LEU 35 1HD2 LEU 35 -15.550 -26.163 -1.965 257 2HD2 LEU 35 3HD2 LEU 35 -15.299 -24.526 -1.359 258 3HD2 LEU 35 2HD2 LEU 35 -14.125 -25.791 -0.996 259 H LYS 36 H LYS 36 -20.494 -25.190 -0.534 260 HA LYS 36 HA LYS 36 -21.288 -26.828 -2.639 261 1HB LYS 36 2HB LYS 36 -22.597 -24.831 -0.926 262 2HB LYS 36 1HB LYS 36 -23.383 -25.035 -2.493 263 1HG LYS 36 2HG LYS 36 -23.582 -27.429 -2.143 264 2HG LYS 36 1HG LYS 36 -22.636 -27.330 -0.656 265 1HD LYS 36 2HD LYS 36 -24.655 -25.470 -0.248 266 2HD LYS 36 1HD LYS 36 -25.480 -26.781 -1.094 267 1HE LYS 36 2HE LYS 36 -24.556 -28.398 0.542 268 2HE LYS 36 1HE LYS 36 -23.773 -27.071 1.399 269 1HZ LYS 36 1HZ LYS 36 -26.547 -26.574 0.939 270 2HZ LYS 36 3HZ LYS 36 -26.305 -27.999 1.826 271 3HZ LYS 36 2HZ LYS 36 -25.667 -26.530 2.391 272 H THR 37 H THR 37 -20.248 -23.509 -2.798 273 HA THR 37 HA THR 37 -21.430 -22.622 -5.184 274 HB THR 37 HB THR 37 -19.827 -21.343 -3.658 275 HG1 THR 37 HG1 THR 37 -19.523 -21.352 -6.470 276 1HG2 THR 37 3HG2 THR 37 -18.062 -23.148 -3.760 277 2HG2 THR 37 2HG2 THR 37 -17.735 -22.642 -5.418 278 3HG2 THR 37 1HG2 THR 37 -17.464 -21.521 -4.085 279 H LEU 38 H LEU 38 -19.086 -25.122 -4.683 280 HA LEU 38 HA LEU 38 -17.932 -25.208 -7.300 281 1HB LEU 38 2HB LEU 38 -18.401 -27.376 -5.237 282 2HB LEU 38 1HB LEU 38 -17.502 -27.642 -6.731 283 HG LEU 38 HG LEU 38 -16.818 -25.501 -4.694 284 1HD1 LEU 38 2HD1 LEU 38 -16.249 -28.366 -4.767 285 2HD1 LEU 38 1HD1 LEU 38 -14.776 -27.397 -4.760 286 3HD1 LEU 38 3HD1 LEU 38 -15.966 -27.202 -3.473 287 1HD2 LEU 38 3HD2 LEU 38 -16.092 -25.041 -7.012 288 2HD2 LEU 38 2HD2 LEU 38 -14.710 -25.381 -5.972 289 3HD2 LEU 38 1HD2 LEU 38 -15.307 -26.618 -7.078 290 H GLY 39 H GLY 39 -20.958 -26.426 -5.990 291 1HA GLY 39 1HA GLY 39 -22.134 -26.650 -8.610 292 2HA GLY 39 2HA GLY 39 -22.866 -27.219 -7.109 293 H SER 40 H SER 40 -19.978 -28.663 -6.997 294 HA SER 40 HA SER 40 -21.059 -31.190 -8.045 295 1HB SER 40 2HB SER 40 -20.072 -30.524 -10.078 296 2HB SER 40 1HB SER 40 -18.709 -29.754 -9.267 297 HG SER 40 HG SER 40 -19.265 -32.529 -9.428 298 H ILE 41 H ILE 41 -20.665 -30.788 -5.436 299 HA ILE 41 HA ILE 41 -18.250 -32.422 -4.874 300 HB ILE 41 HB ILE 41 -17.829 -29.894 -4.507 301 1HG1 ILE 41 2HG1 ILE 41 -17.458 -31.458 -1.972 302 2HG1 ILE 41 1HG1 ILE 41 -16.661 -32.007 -3.446 303 1HG2 ILE 41 1HG2 ILE 41 -20.201 -29.921 -3.226 304 2HG2 ILE 41 3HG2 ILE 41 -19.136 -30.234 -1.854 305 3HG2 ILE 41 2HG2 ILE 41 -18.923 -28.775 -2.825 306 1HD1 ILE 41 3HD1 ILE 41 -16.394 -29.121 -3.033 307 2HD1 ILE 41 2HD1 ILE 41 -15.701 -30.060 -1.711 308 3HD1 ILE 41 1HD1 ILE 41 -15.148 -30.325 -3.364 309 H THR 42 H THR 42 -18.363 -33.027 -2.387 310 HA THR 42 HA THR 42 -21.218 -33.544 -1.672 311 HB THR 42 HB THR 42 -20.874 -35.787 -1.544 312 HG1 THR 42 HG1 THR 42 -19.185 -36.639 -0.398 313 1HG2 THR 42 2HG2 THR 42 -19.724 -35.217 -3.698 314 2HG2 THR 42 1HG2 THR 42 -18.193 -35.191 -2.822 315 3HG2 THR 42 3HG2 THR 42 -19.113 -36.692 -2.948 316 HA PRO 43 HA PRO 43 -20.202 -32.064 2.373 317 1HB PRO 43 2HB PRO 43 -21.464 -33.814 4.007 318 2HB PRO 43 1HB PRO 43 -22.327 -32.600 3.059 319 1HG PRO 43 2HG PRO 43 -21.900 -35.510 2.478 320 2HG PRO 43 1HG PRO 43 -23.373 -34.549 2.310 321 1HD PRO 43 1HD PRO 43 -21.818 -35.148 0.187 322 2HD PRO 43 2HD PRO 43 -22.688 -33.616 0.300 323 H ASP 44 H ASP 44 -19.742 -35.520 1.798 324 HA ASP 44 HA ASP 44 -18.014 -36.011 4.027 325 1HB ASP 44 2HB ASP 44 -18.108 -37.424 1.345 326 2HB ASP 44 1HB ASP 44 -17.379 -38.055 2.822 327 H GLU 45 H GLU 45 -17.453 -34.511 0.907 328 HA GLU 45 HA GLU 45 -14.547 -34.861 1.067 329 1HB GLU 45 2HB GLU 45 -16.325 -33.190 -0.737 330 2HB GLU 45 1HB GLU 45 -14.569 -33.267 -0.888 331 1HG GLU 45 2HG GLU 45 -14.817 -35.794 -1.068 332 2HG GLU 45 1HG GLU 45 -16.555 -35.529 -1.218 333 H VAL 46 H VAL 46 -16.956 -32.362 1.689 334 HA VAL 46 HA VAL 46 -15.063 -30.284 2.318 335 HB VAL 46 HB VAL 46 -17.976 -30.698 3.019 336 1HG1 VAL 46 1HG1 VAL 46 -16.742 -29.357 4.772 337 2HG1 VAL 46 3HG1 VAL 46 -16.322 -28.204 3.505 338 3HG1 VAL 46 2HG1 VAL 46 -18.012 -28.463 3.940 339 1HG2 VAL 46 2HG2 VAL 46 -16.527 -29.686 0.759 340 2HG2 VAL 46 1HG2 VAL 46 -18.274 -29.822 0.967 341 3HG2 VAL 46 3HG2 VAL 46 -17.434 -28.361 1.487 342 H LYS 47 H LYS 47 -16.703 -32.778 4.200 343 HA LYS 47 HA LYS 47 -15.833 -31.861 6.782 344 1HB LYS 47 2HB LYS 47 -16.649 -34.595 5.767 345 2HB LYS 47 1HB LYS 47 -16.270 -34.271 7.458 346 1HG LYS 47 2HG LYS 47 -18.032 -32.530 7.508 347 2HG LYS 47 1HG LYS 47 -18.424 -32.887 5.826 348 1HD LYS 47 2HD LYS 47 -18.935 -35.238 6.480 349 2HD LYS 47 1HD LYS 47 -18.631 -34.811 8.164 350 1HE LYS 47 2HE LYS 47 -20.620 -33.720 8.373 351 2HE LYS 47 1HE LYS 47 -20.510 -33.016 6.759 352 1HZ LYS 47 1HZ LYS 47 -20.886 -35.507 6.072 353 2HZ LYS 47 3HZ LYS 47 -21.625 -35.588 7.596 354 3HZ LYS 47 2HZ LYS 47 -22.194 -34.485 6.434 355 H HIS 48 H HIS 48 -14.450 -34.088 4.402 356 HA HIS 48 HA HIS 48 -12.224 -34.931 6.000 357 1HB HIS 48 2HB HIS 48 -12.794 -36.186 4.014 358 2HB HIS 48 1HB HIS 48 -12.595 -34.759 2.996 359 HD1 HIS 48 HD1 HIS 48 -10.640 -35.693 1.610 360 HD2 HIS 48 HD2 HIS 48 -9.892 -35.704 5.710 361 HE1 HIS 48 HE1 HIS 48 -8.176 -36.211 1.886 362 H MET 49 H MET 49 -12.680 -32.216 3.742 363 HA MET 49 HA MET 49 -10.006 -31.284 3.700 364 1HB MET 49 2HB MET 49 -12.690 -29.968 3.382 365 2HB MET 49 1HB MET 49 -11.232 -28.981 3.439 366 1HG MET 49 2HG MET 49 -10.326 -30.671 1.657 367 2HG MET 49 1HG MET 49 -12.030 -31.057 1.414 368 1HE MET 49 1HE MET 49 -12.192 -30.603 -0.716 369 2HE MET 49 3HE MET 49 -13.548 -29.529 -0.342 370 3HE MET 49 2HE MET 49 -12.327 -29.038 -1.514 371 H MET 50 H MET 50 -12.658 -30.616 5.954 372 HA MET 50 HA MET 50 -11.266 -28.740 7.588 373 1HB MET 50 2HB MET 50 -13.585 -30.605 8.034 374 2HB MET 50 1HB MET 50 -12.923 -29.673 9.374 375 1HG MET 50 2HG MET 50 -13.155 -27.619 7.846 376 2HG MET 50 1HG MET 50 -14.157 -28.642 6.816 377 1HE MET 50 3HE MET 50 -13.467 -26.881 9.882 378 2HE MET 50 2HE MET 50 -14.951 -26.774 10.825 379 3HE MET 50 1HE MET 50 -13.943 -28.214 10.942 380 H ALA 51 H ALA 51 -11.650 -32.264 7.900 381 HA ALA 51 HA ALA 51 -10.116 -32.593 10.264 382 1HB ALA 51 2HB ALA 51 -11.509 -34.320 8.814 383 2HB ALA 51 1HB ALA 51 -9.942 -34.629 8.068 384 3HB ALA 51 3HB ALA 51 -10.157 -34.873 9.801 385 H GLU 52 H GLU 52 -9.170 -31.797 7.045 386 HA GLU 52 HA GLU 52 -6.330 -32.483 7.594 387 1HB GLU 52 2HB GLU 52 -7.873 -31.705 5.126 388 2HB GLU 52 1HB GLU 52 -6.115 -31.567 5.159 389 1HG GLU 52 2HG GLU 52 -7.343 -34.119 6.122 390 2HG GLU 52 1HG GLU 52 -7.303 -33.822 4.384 391 H ILE 53 H ILE 53 -8.459 -29.733 7.009 392 HA ILE 53 HA ILE 53 -6.273 -27.792 7.139 393 HB ILE 53 HB ILE 53 -9.281 -27.433 7.222 394 1HG1 ILE 53 2HG1 ILE 53 -7.317 -27.103 4.940 395 2HG1 ILE 53 1HG1 ILE 53 -8.380 -28.493 5.150 396 1HG2 ILE 53 2HG2 ILE 53 -7.035 -25.450 6.761 397 2HG2 ILE 53 1HG2 ILE 53 -8.757 -25.091 6.624 398 3HG2 ILE 53 3HG2 ILE 53 -8.070 -25.528 8.188 399 1HD1 ILE 53 2HD1 ILE 53 -9.632 -25.787 5.229 400 2HD1 ILE 53 1HD1 ILE 53 -9.096 -26.387 3.659 401 3HD1 ILE 53 3HD1 ILE 53 -10.272 -27.305 4.600 402 H ASP 54 H ASP 54 -8.690 -29.137 9.309 403 HA ASP 54 HA ASP 54 -8.497 -27.270 11.435 404 1HB ASP 54 2HB ASP 54 -10.064 -29.345 11.035 405 2HB ASP 54 1HB ASP 54 -8.815 -30.219 11.911 406 H THR 55 H THR 55 -6.422 -26.658 12.020 407 HA THR 55 HA THR 55 -4.199 -28.485 12.162 408 HB THR 55 HB THR 55 -3.033 -26.598 13.277 409 HG1 THR 55 HG1 THR 55 -4.160 -25.095 14.187 410 1HG2 THR 55 3HG2 THR 55 -4.741 -25.857 10.887 411 2HG2 THR 55 2HG2 THR 55 -3.308 -24.974 11.413 412 3HG2 THR 55 1HG2 THR 55 -3.160 -26.635 10.837 413 H ASP 56 H ASP 56 -6.226 -26.993 14.692 414 HA ASP 56 HA ASP 56 -4.882 -28.628 16.739 415 1HB ASP 56 2HB ASP 56 -6.063 -27.359 18.342 416 2HB ASP 56 1HB ASP 56 -5.733 -26.206 17.051 417 H GLY 57 H GLY 57 -7.985 -28.506 15.072 418 1HA GLY 57 1HA GLY 57 -8.489 -31.273 16.034 419 2HA GLY 57 2HA GLY 57 -9.237 -30.539 14.621 420 H ASP 58 H ASP 58 -9.882 -28.028 16.176 421 HA ASP 58 HA ASP 58 -11.693 -28.965 18.288 422 1HB ASP 58 2HB ASP 58 -12.260 -26.653 18.622 423 2HB ASP 58 1HB ASP 58 -10.522 -26.716 18.344 424 H GLY 59 H GLY 59 -11.831 -28.997 14.970 425 1HA GLY 59 1HA GLY 59 -14.795 -29.164 15.060 426 2HA GLY 59 2HA GLY 59 -13.770 -29.869 13.811 427 H PHE 60 H PHE 60 -12.627 -26.798 14.476 428 HA PHE 60 HA PHE 60 -14.125 -25.727 12.131 429 1HB PHE 60 2HB PHE 60 -13.421 -24.081 14.569 430 2HB PHE 60 1HB PHE 60 -14.403 -23.591 13.188 431 HD1 PHE 60 HD1 PHE 60 -16.634 -24.635 12.801 432 HD2 PHE 60 HD2 PHE 60 -14.342 -25.394 16.351 433 HE1 PHE 60 HE1 PHE 60 -18.660 -25.514 13.923 434 HE2 PHE 60 HE2 PHE 60 -16.368 -26.274 17.472 435 HZ PHE 60 HZ PHE 60 -18.531 -26.336 16.258 436 H ILE 61 H ILE 61 -13.026 -24.052 10.955 437 HA ILE 61 HA ILE 61 -10.072 -24.160 11.278 438 HB ILE 61 HB ILE 61 -11.651 -23.324 8.834 439 1HG1 ILE 61 2HG1 ILE 61 -12.189 -25.648 9.309 440 2HG1 ILE 61 1HG1 ILE 61 -11.058 -25.596 7.958 441 1HG2 ILE 61 2HG2 ILE 61 -8.761 -24.151 9.248 442 2HG2 ILE 61 1HG2 ILE 61 -9.492 -23.745 7.696 443 3HG2 ILE 61 3HG2 ILE 61 -9.331 -22.511 8.945 444 1HD1 ILE 61 2HD1 ILE 61 -9.190 -25.944 9.630 445 2HD1 ILE 61 1HD1 ILE 61 -10.427 -26.230 10.854 446 3HD1 ILE 61 3HD1 ILE 61 -10.291 -27.315 9.468 447 H SER 62 H SER 62 -9.081 -22.245 11.835 448 HA SER 62 HA SER 62 -10.786 -19.824 11.991 449 1HB SER 62 2HB SER 62 -8.499 -19.044 13.167 450 2HB SER 62 1HB SER 62 -9.739 -19.945 14.041 451 HG SER 62 HG SER 62 -7.801 -20.980 14.347 452 H PHE 63 H PHE 63 -9.635 -17.732 11.360 453 HA PHE 63 HA PHE 63 -8.866 -17.796 8.650 454 1HB PHE 63 2HB PHE 63 -9.535 -15.710 9.806 455 2HB PHE 63 1HB PHE 63 -8.036 -15.754 10.738 456 HD1 PHE 63 HD1 PHE 63 -8.922 -16.345 7.145 457 HD2 PHE 63 HD2 PHE 63 -6.475 -14.208 9.952 458 HE1 PHE 63 HE1 PHE 63 -7.727 -15.253 5.269 459 HE2 PHE 63 HE2 PHE 63 -5.273 -13.121 8.076 460 HZ PHE 63 HZ PHE 63 -5.905 -13.641 5.732 461 H GLN 64 H GLN 64 -6.879 -17.836 11.579 462 HA GLN 64 HA GLN 64 -4.335 -17.776 10.313 463 1HB GLN 64 2HB GLN 64 -4.804 -17.527 12.782 464 2HB GLN 64 1HB GLN 64 -5.068 -19.269 12.847 465 1HG GLN 64 2HG GLN 64 -2.757 -18.780 13.484 466 2HG GLN 64 1HG GLN 64 -2.769 -19.611 11.929 467 1HE2 GLN 64 1HE2 GLN 64 -0.913 -18.662 10.957 468 2HE2 GLN 64 2HE2 GLN 64 -0.752 -16.996 10.676 469 H GLU 65 H GLU 65 -6.335 -20.566 11.348 470 HA GLU 65 HA GLU 65 -4.590 -22.593 10.393 471 1HB GLU 65 2HB GLU 65 -7.561 -22.459 10.857 472 2HB GLU 65 1HB GLU 65 -6.820 -23.907 10.189 473 1HG GLU 65 2HG GLU 65 -5.331 -24.070 12.135 474 2HG GLU 65 1HG GLU 65 -6.016 -22.588 12.798 475 H PHE 66 H PHE 66 -7.330 -20.961 8.809 476 HA PHE 66 HA PHE 66 -7.125 -22.359 6.325 477 1HB PHE 66 2HB PHE 66 -9.083 -20.970 6.987 478 2HB PHE 66 1HB PHE 66 -8.090 -19.524 6.802 479 HD1 PHE 66 HD1 PHE 66 -7.274 -18.826 4.577 480 HD2 PHE 66 HD2 PHE 66 -9.875 -22.210 5.061 481 HE1 PHE 66 HE1 PHE 66 -7.760 -18.799 2.147 482 HE2 PHE 66 HE2 PHE 66 -10.361 -22.184 2.629 483 HZ PHE 66 HZ PHE 66 -9.304 -20.478 1.172 484 H THR 67 H THR 67 -5.519 -19.471 7.570 485 HA THR 67 HA THR 67 -4.259 -18.732 5.086 486 HB THR 67 HB THR 67 -3.536 -18.162 7.974 487 HG1 THR 67 HG1 THR 67 -5.036 -16.946 5.967 488 1HG2 THR 67 3HG2 THR 67 -2.322 -17.120 5.403 489 2HG2 THR 67 2HG2 THR 67 -2.064 -16.382 6.984 490 3HG2 THR 67 1HG2 THR 67 -1.499 -18.024 6.674 491 H ASP 68 H ASP 68 -3.122 -20.603 7.912 492 HA ASP 68 HA ASP 68 -0.536 -21.204 6.895 493 1HB ASP 68 2HB ASP 68 -2.325 -22.840 8.720 494 2HB ASP 68 1HB ASP 68 -0.608 -23.147 8.459 495 H PHE 69 H PHE 69 -3.666 -22.788 6.414 496 HA PHE 69 HA PHE 69 -2.536 -24.968 4.857 497 1HB PHE 69 2HB PHE 69 -4.531 -25.679 5.749 498 2HB PHE 69 1HB PHE 69 -5.228 -24.062 5.739 499 HD1 PHE 69 HD1 PHE 69 -5.837 -23.056 3.446 500 HD2 PHE 69 HD2 PHE 69 -5.149 -27.239 4.106 501 HE1 PHE 69 HE1 PHE 69 -7.077 -23.588 1.360 502 HE2 PHE 69 HE2 PHE 69 -6.386 -27.775 2.029 503 HZ PHE 69 HZ PHE 69 -7.354 -25.951 0.653 504 H GLY 70 H GLY 70 -4.063 -21.850 4.193 505 1HA GLY 70 1HA GLY 70 -4.131 -20.581 2.219 506 2HA GLY 70 2HA GLY 70 -4.365 -22.115 1.381 507 H ARG 71 H ARG 71 -1.542 -21.482 3.363 508 HA ARG 71 HA ARG 71 0.168 -20.602 1.201 509 1HB ARG 71 2HB ARG 71 0.847 -21.850 3.885 510 2HB ARG 71 1HB ARG 71 2.015 -21.096 2.798 511 1HG ARG 71 2HG ARG 71 0.768 -18.966 2.946 512 2HG ARG 71 1HG ARG 71 -0.384 -19.720 4.046 513 1HD ARG 71 2HD ARG 71 2.589 -19.367 4.538 514 2HD ARG 71 1HD ARG 71 1.291 -18.471 5.328 515 HE ARG 71 HE ARG 71 0.931 -21.307 5.701 516 1HH1 ARG 71 1HH1 ARG 71 2.422 -18.419 6.823 517 2HH1 ARG 71 2HH1 ARG 71 2.927 -19.103 8.330 518 1HH2 ARG 71 1HH2 ARG 71 1.738 -22.276 7.595 519 2HH2 ARG 71 2HH2 ARG 71 2.539 -21.286 8.768 520 H ALA 72 H ALA 72 -0.773 -23.712 2.516 521 HA ALA 72 HA ALA 72 1.269 -25.267 1.189 522 1HB ALA 72 1HB ALA 72 0.360 -26.789 2.581 523 2HB ALA 72 2HB ALA 72 -1.029 -26.875 1.496 524 3HB ALA 72 3HB ALA 72 -1.043 -25.756 2.861 525 H ASN 73 H ASN 73 -1.680 -23.785 0.154 526 HA ASN 73 HA ASN 73 -1.208 -24.793 -2.583 527 1HB ASN 73 2HB ASN 73 -3.702 -25.321 -2.777 528 2HB ASN 73 1HB ASN 73 -2.749 -26.464 -1.831 529 1HD2 ASN 73 1HD2 ASN 73 -3.264 -26.705 0.386 530 2HD2 ASN 73 2HD2 ASN 73 -4.470 -25.807 1.172 531 H ARG 74 H ARG 74 -0.657 -22.285 -1.970 532 HA ARG 74 HA ARG 74 -2.644 -20.330 -1.792 533 1HB ARG 74 2HB ARG 74 -1.081 -18.840 -3.033 534 2HB ARG 74 1HB ARG 74 -0.257 -19.765 -1.778 535 1HG ARG 74 2HG ARG 74 0.413 -21.439 -3.501 536 2HG ARG 74 1HG ARG 74 -0.335 -20.429 -4.737 537 1HD ARG 74 2HD ARG 74 1.996 -19.689 -2.947 538 2HD ARG 74 1HD ARG 74 2.036 -19.928 -4.694 539 HE ARG 74 HE ARG 74 0.428 -17.907 -4.760 540 1HH1 ARG 74 1HH1 ARG 74 3.459 -17.500 -4.079 541 2HH1 ARG 74 2HH1 ARG 74 3.320 -16.276 -2.862 542 1HH2 ARG 74 1HH2 ARG 74 -0.084 -16.750 -2.398 543 2HH2 ARG 74 2HH2 ARG 74 1.314 -15.852 -1.909 544 H GLY 75 H GLY 75 -1.578 -22.160 -4.606 545 1HA GLY 75 1HA GLY 75 -2.511 -22.387 -6.726 546 2HA GLY 75 2HA GLY 75 -3.079 -20.726 -6.567 547 H LEU 76 H LEU 76 -3.976 -23.167 -4.223 548 HA LEU 76 HA LEU 76 -6.426 -24.004 -5.463 549 1HB LEU 76 2HB LEU 76 -5.293 -24.124 -2.695 550 2HB LEU 76 1HB LEU 76 -7.009 -24.461 -2.919 551 HG LEU 76 HG LEU 76 -4.712 -25.854 -4.330 552 1HD1 LEU 76 2HD1 LEU 76 -5.957 -26.294 -1.810 553 2HD1 LEU 76 1HD1 LEU 76 -6.512 -27.571 -2.892 554 3HD1 LEU 76 3HD1 LEU 76 -4.784 -27.326 -2.630 555 1HD2 LEU 76 1HD2 LEU 76 -7.674 -25.825 -4.742 556 2HD2 LEU 76 3HD2 LEU 76 -6.380 -25.975 -5.930 557 3HD2 LEU 76 2HD2 LEU 76 -6.827 -27.360 -4.933 558 H LEU 77 H LEU 77 -5.738 -21.520 -3.007 559 HA LEU 77 HA LEU 77 -8.411 -20.643 -2.646 560 1HB LEU 77 2HB LEU 77 -5.916 -18.929 -2.521 561 2HB LEU 77 1HB LEU 77 -7.449 -18.617 -1.715 562 HG LEU 77 HG LEU 77 -6.310 -19.584 0.031 563 1HD1 LEU 77 2HD1 LEU 77 -8.242 -21.137 -0.859 564 2HD1 LEU 77 1HD1 LEU 77 -6.912 -22.240 -1.209 565 3HD1 LEU 77 3HD1 LEU 77 -7.192 -21.691 0.444 566 1HD2 LEU 77 2HD2 LEU 77 -4.515 -20.350 -2.021 567 2HD2 LEU 77 1HD2 LEU 77 -4.231 -20.343 -0.280 568 3HD2 LEU 77 3HD2 LEU 77 -4.865 -21.790 -1.065 569 H LYS 78 H LYS 78 -5.929 -19.652 -4.974 570 HA LYS 78 HA LYS 78 -7.357 -17.504 -6.165 571 1HB LYS 78 2HB LYS 78 -5.415 -19.452 -7.447 572 2HB LYS 78 1HB LYS 78 -5.925 -17.918 -8.151 573 1HG LYS 78 2HG LYS 78 -5.104 -16.849 -5.948 574 2HG LYS 78 1HG LYS 78 -4.281 -18.383 -5.661 575 1HD LYS 78 2HD LYS 78 -3.957 -16.814 -8.229 576 2HD LYS 78 1HD LYS 78 -2.897 -16.587 -6.838 577 1HE LYS 78 2HE LYS 78 -2.252 -18.945 -6.904 578 2HE LYS 78 1HE LYS 78 -3.383 -19.242 -8.224 579 1HZ LYS 78 3HZ LYS 78 -1.565 -17.072 -8.728 580 2HZ LYS 78 2HZ LYS 78 -0.783 -18.567 -8.517 581 3HZ LYS 78 1HZ LYS 78 -1.980 -18.391 -9.712 582 H ASP 79 H ASP 79 -7.644 -20.980 -6.552 583 HA ASP 79 HA ASP 79 -9.258 -20.884 -8.951 584 1HB ASP 79 2HB ASP 79 -8.041 -22.926 -8.219 585 2HB ASP 79 1HB ASP 79 -9.112 -23.040 -6.823 586 H VAL 80 H VAL 80 -9.952 -20.880 -5.487 587 HA VAL 80 HA VAL 80 -12.861 -20.884 -6.000 588 HB VAL 80 HB VAL 80 -11.538 -20.452 -3.321 589 1HG1 VAL 80 2HG1 VAL 80 -14.188 -20.616 -4.194 590 2HG1 VAL 80 1HG1 VAL 80 -13.858 -22.206 -3.509 591 3HG1 VAL 80 3HG1 VAL 80 -13.631 -20.759 -2.528 592 1HG2 VAL 80 2HG2 VAL 80 -11.909 -23.034 -4.856 593 2HG2 VAL 80 1HG2 VAL 80 -10.415 -22.392 -4.173 594 3HG2 VAL 80 3HG2 VAL 80 -11.689 -22.983 -3.106 595 H ALA 81 H ALA 81 -10.277 -18.650 -5.226 596 HA ALA 81 HA ALA 81 -11.856 -16.482 -4.249 597 1HB ALA 81 1HB ALA 81 -9.885 -15.361 -4.228 598 2HB ALA 81 2HB ALA 81 -9.567 -15.713 -5.926 599 3HB ALA 81 3HB ALA 81 -9.171 -16.907 -4.690 600 H LYS 82 H LYS 82 -11.558 -17.834 -7.409 601 HA LYS 82 HA LYS 82 -12.608 -15.371 -8.689 602 1HB LYS 82 2HB LYS 82 -12.168 -16.455 -10.787 603 2HB LYS 82 1HB LYS 82 -10.774 -16.777 -9.755 604 1HG LYS 82 2HG LYS 82 -11.765 -18.974 -9.146 605 2HG LYS 82 1HG LYS 82 -13.109 -18.654 -10.243 606 1HD LYS 82 2HD LYS 82 -11.238 -18.269 -12.025 607 2HD LYS 82 1HD LYS 82 -10.214 -19.160 -10.899 608 1HE LYS 82 2HE LYS 82 -12.068 -20.940 -10.881 609 2HE LYS 82 1HE LYS 82 -12.725 -20.108 -12.291 610 1HZ LYS 82 2HZ LYS 82 -9.899 -20.975 -12.146 611 2HZ LYS 82 1HZ LYS 82 -11.126 -21.994 -12.730 612 3HZ LYS 82 3HZ LYS 82 -10.794 -20.531 -13.520 613 H ILE 83 H ILE 83 -13.571 -18.614 -7.757 614 HA ILE 83 HA ILE 83 -15.976 -18.839 -9.236 615 HB ILE 83 HB ILE 83 -15.330 -19.844 -6.450 616 1HG1 ILE 83 2HG1 ILE 83 -15.007 -20.980 -9.234 617 2HG1 ILE 83 1HG1 ILE 83 -13.772 -20.778 -7.992 618 1HG2 ILE 83 3HG2 ILE 83 -17.806 -19.699 -7.171 619 2HG2 ILE 83 2HG2 ILE 83 -17.403 -20.953 -8.345 620 3HG2 ILE 83 1HG2 ILE 83 -17.217 -21.268 -6.619 621 1HD1 ILE 83 3HD1 ILE 83 -15.774 -22.359 -6.802 622 2HD1 ILE 83 2HD1 ILE 83 -15.569 -23.010 -8.428 623 3HD1 ILE 83 1HD1 ILE 83 -14.183 -22.896 -7.343 624 H PHE 84 H PHE 84 -15.243 -17.089 -6.272 625 HA PHE 84 HA PHE 84 -18.079 -16.326 -5.932 626 1HB PHE 84 2HB PHE 84 -15.576 -15.691 -4.345 627 2HB PHE 84 1HB PHE 84 -17.174 -15.064 -3.942 628 HD1 PHE 84 HD1 PHE 84 -15.123 -18.133 -4.252 629 HD2 PHE 84 HD2 PHE 84 -18.874 -16.476 -2.974 630 HE1 PHE 84 HE1 PHE 84 -15.656 -20.249 -3.075 631 HE2 PHE 84 HE2 PHE 84 -19.407 -18.592 -1.797 632 HZ PHE 84 HZ PHE 84 -17.799 -20.479 -1.848 No H/Q in entry = 632 Start of MODEL 9 1 H1 ALA 1 3H ALA 1 8.928 -13.458 2.723 2 H2 ALA 1 2H ALA 1 8.991 -15.118 2.363 3 H3 ALA 1 1H ALA 1 10.255 -14.384 3.231 4 HA ALA 1 HA ALA 1 11.091 -13.290 1.390 5 1HB ALA 1 2HB ALA 1 9.961 -15.968 0.537 6 2HB ALA 1 3HB ALA 1 11.575 -15.639 1.167 7 3HB ALA 1 1HB ALA 1 11.115 -15.052 -0.432 8 H ASP 2 H ASP 2 8.750 -14.990 -0.586 9 HA ASP 2 HA ASP 2 8.043 -12.459 -1.898 10 1HB ASP 2 2HB ASP 2 7.300 -15.350 -2.402 11 2HB ASP 2 1HB ASP 2 6.619 -14.017 -3.335 12 H ASP 3 H ASP 3 6.881 -14.226 0.735 13 HA ASP 3 HA ASP 3 4.051 -13.888 0.427 14 1HB ASP 3 2HB ASP 3 5.229 -15.358 2.134 15 2HB ASP 3 1HB ASP 3 5.571 -13.887 3.045 16 H HIS 4 H HIS 4 2.860 -12.047 0.538 17 HA HIS 4 HA HIS 4 4.011 -9.710 1.995 18 1HB HIS 4 2HB HIS 4 2.706 -8.403 0.077 19 2HB HIS 4 1HB HIS 4 4.365 -8.941 -0.159 20 HD1 HIS 4 HD1 HIS 4 4.332 -9.519 -2.619 21 HD2 HIS 4 HD2 HIS 4 1.191 -11.298 -0.535 22 HE1 HIS 4 HE1 HIS 4 3.211 -11.112 -4.236 23 HA PRO 5 HA PRO 5 0.027 -9.171 3.856 24 1HB PRO 5 2HB PRO 5 -0.452 -6.517 3.610 25 2HB PRO 5 1HB PRO 5 0.731 -7.179 4.743 26 1HG PRO 5 2HG PRO 5 1.165 -6.007 2.015 27 2HG PRO 5 1HG PRO 5 2.075 -5.719 3.502 28 1HD PRO 5 1HD PRO 5 2.989 -7.400 1.617 29 2HD PRO 5 2HD PRO 5 3.236 -7.727 3.333 30 H GLN 6 H GLN 6 0.484 -8.053 0.585 31 HA GLN 6 HA GLN 6 -2.202 -7.397 -0.086 32 1HB GLN 6 2HB GLN 6 0.095 -8.496 -1.720 33 2HB GLN 6 1HB GLN 6 -1.440 -8.004 -2.430 34 1HG GLN 6 2HG GLN 6 0.469 -6.255 -0.855 35 2HG GLN 6 1HG GLN 6 0.115 -6.140 -2.578 36 1HE2 GLN 6 1HE2 GLN 6 -1.288 -5.646 0.663 37 2HE2 GLN 6 2HE2 GLN 6 -2.561 -4.655 0.141 38 H ASP 7 H ASP 7 -0.433 -10.469 -0.156 39 HA ASP 7 HA ASP 7 -2.509 -12.039 -1.325 40 1HB ASP 7 2HB ASP 7 -0.224 -12.728 0.527 41 2HB ASP 7 1HB ASP 7 -1.338 -13.953 -0.082 42 H LYS 8 H LYS 8 -1.721 -11.388 2.084 43 HA LYS 8 HA LYS 8 -3.661 -12.967 3.334 44 1HB LYS 8 2HB LYS 8 -2.332 -10.381 3.996 45 2HB LYS 8 1HB LYS 8 -3.755 -10.824 4.942 46 1HG LYS 8 2HG LYS 8 -2.498 -13.185 5.003 47 2HG LYS 8 1HG LYS 8 -1.085 -12.151 4.793 48 1HD LYS 8 2HD LYS 8 -2.001 -10.748 6.726 49 2HD LYS 8 1HD LYS 8 -3.132 -12.069 7.019 50 1HE LYS 8 2HE LYS 8 -1.386 -12.714 8.404 51 2HE LYS 8 1HE LYS 8 -0.921 -13.536 6.914 52 1HZ LYS 8 3HZ LYS 8 0.188 -11.158 6.522 53 2HZ LYS 8 2HZ LYS 8 0.281 -11.234 8.217 54 3HZ LYS 8 1HZ LYS 8 0.999 -12.447 7.269 55 H ALA 9 H ALA 9 -4.046 -9.839 1.744 56 HA ALA 9 HA ALA 9 -6.697 -9.260 2.557 57 1HB ALA 9 3HB ALA 9 -5.001 -8.549 0.207 58 2HB ALA 9 2HB ALA 9 -6.738 -8.275 0.060 59 3HB ALA 9 1HB ALA 9 -5.827 -7.493 1.353 60 H GLU 10 H GLU 10 -5.500 -11.173 -0.178 61 HA GLU 10 HA GLU 10 -8.110 -11.901 -1.152 62 1HB GLU 10 2HB GLU 10 -5.556 -13.500 -1.455 63 2HB GLU 10 1HB GLU 10 -6.962 -13.522 -2.519 64 1HG GLU 10 2HG GLU 10 -6.537 -11.028 -2.898 65 2HG GLU 10 1HG GLU 10 -4.979 -11.275 -2.109 66 H ARG 11 H ARG 11 -5.864 -13.376 1.145 67 HA ARG 11 HA ARG 11 -7.365 -15.800 1.534 68 1HB ARG 11 2HB ARG 11 -5.363 -14.335 3.268 69 2HB ARG 11 1HB ARG 11 -6.074 -15.880 3.728 70 1HG ARG 11 2HG ARG 11 -5.255 -16.805 1.519 71 2HG ARG 11 1HG ARG 11 -4.372 -15.295 1.292 72 1HD ARG 11 2HD ARG 11 -3.313 -15.722 3.572 73 2HD ARG 11 1HD ARG 11 -4.005 -17.341 3.492 74 HE ARG 11 HE ARG 11 -1.913 -16.287 1.650 75 1HH1 ARG 11 1HH1 ARG 11 -2.505 -18.711 3.784 76 2HH1 ARG 11 2HH1 ARG 11 -2.175 -20.026 2.708 77 1HH2 ARG 11 1HH2 ARG 11 -2.058 -18.026 -0.123 78 2HH2 ARG 11 2HH2 ARG 11 -1.919 -19.639 0.493 79 H GLU 12 H GLU 12 -7.364 -12.657 3.160 80 HA GLU 12 HA GLU 12 -9.213 -13.367 5.230 81 1HB GLU 12 2HB GLU 12 -8.212 -10.814 4.041 82 2HB GLU 12 1HB GLU 12 -9.656 -10.749 5.048 83 1HG GLU 12 2HG GLU 12 -8.385 -12.001 6.824 84 2HG GLU 12 1HG GLU 12 -6.938 -11.839 5.830 85 H ARG 13 H ARG 13 -9.658 -11.984 1.993 86 HA ARG 13 HA ARG 13 -12.504 -11.645 2.243 87 1HB ARG 13 2HB ARG 13 -10.834 -12.063 -0.256 88 2HB ARG 13 1HB ARG 13 -12.484 -11.442 -0.213 89 1HG ARG 13 2HG ARG 13 -11.809 -9.457 0.931 90 2HG ARG 13 1HG ARG 13 -10.220 -10.126 1.300 91 1HD ARG 13 2HD ARG 13 -9.814 -8.684 -0.529 92 2HD ARG 13 1HD ARG 13 -9.912 -10.283 -1.266 93 HE ARG 13 HE ARG 13 -12.028 -9.677 -2.218 94 1HH1 ARG 13 1HH1 ARG 13 -10.290 -7.032 -2.145 95 2HH1 ARG 13 2HH1 ARG 13 -11.540 -5.895 -1.766 96 1HH2 ARG 13 1HH2 ARG 13 -13.840 -8.324 -0.852 97 2HH2 ARG 13 2HH2 ARG 13 -13.550 -6.626 -1.033 98 H ILE 14 H ILE 14 -10.466 -14.280 1.030 99 HA ILE 14 HA ILE 14 -12.686 -15.931 0.193 100 HB ILE 14 HB ILE 14 -9.867 -16.747 0.962 101 1HG1 ILE 14 2HG1 ILE 14 -10.897 -16.306 -1.833 102 2HG1 ILE 14 1HG1 ILE 14 -10.246 -14.963 -0.898 103 1HG2 ILE 14 3HG2 ILE 14 -12.074 -18.103 -0.609 104 2HG2 ILE 14 2HG2 ILE 14 -10.397 -18.646 -0.626 105 3HG2 ILE 14 1HG2 ILE 14 -11.316 -18.671 0.879 106 1HD1 ILE 14 2HD1 ILE 14 -8.564 -17.366 -0.791 107 2HD1 ILE 14 1HD1 ILE 14 -8.747 -16.721 -2.421 108 3HD1 ILE 14 3HD1 ILE 14 -8.114 -15.696 -1.134 109 H PHE 15 H PHE 15 -10.664 -15.806 3.135 110 HA PHE 15 HA PHE 15 -12.028 -17.988 4.431 111 1HB PHE 15 2HB PHE 15 -9.779 -17.186 5.130 112 2HB PHE 15 1HB PHE 15 -10.511 -15.680 5.697 113 HD1 PHE 15 HD1 PHE 15 -12.109 -15.715 7.614 114 HD2 PHE 15 HD2 PHE 15 -10.028 -19.250 6.343 115 HE1 PHE 15 HE1 PHE 15 -12.702 -16.833 9.749 116 HE2 PHE 15 HE2 PHE 15 -10.622 -20.368 8.474 117 HZ PHE 15 HZ PHE 15 -11.962 -19.164 10.178 118 H LYS 16 H LYS 16 -12.538 -14.498 4.321 119 HA LYS 16 HA LYS 16 -14.509 -14.373 6.399 120 1HB LYS 16 2HB LYS 16 -13.841 -12.642 4.027 121 2HB LYS 16 1HB LYS 16 -15.275 -12.303 4.995 122 1HG LYS 16 2HG LYS 16 -13.853 -12.233 7.034 123 2HG LYS 16 1HG LYS 16 -12.429 -12.496 6.027 124 1HD LYS 16 2HD LYS 16 -13.019 -10.421 4.749 125 2HD LYS 16 1HD LYS 16 -14.328 -10.135 5.896 126 1HE LYS 16 2HE LYS 16 -12.352 -10.462 7.662 127 2HE LYS 16 1HE LYS 16 -11.372 -9.931 6.295 128 1HZ LYS 16 3HZ LYS 16 -13.370 -8.176 6.196 129 2HZ LYS 16 2HZ LYS 16 -13.312 -8.459 7.871 130 3HZ LYS 16 1HZ LYS 16 -11.930 -7.906 7.052 131 H ARG 17 H ARG 17 -14.668 -15.240 2.992 132 HA ARG 17 HA ARG 17 -17.562 -15.183 2.832 133 1HB ARG 17 2HB ARG 17 -15.428 -16.517 1.150 134 2HB ARG 17 1HB ARG 17 -17.148 -16.627 0.777 135 1HG ARG 17 2HG ARG 17 -17.200 -14.084 0.836 136 2HG ARG 17 1HG ARG 17 -15.439 -14.132 0.893 137 1HD ARG 17 2HD ARG 17 -15.549 -15.598 -1.198 138 2HD ARG 17 1HD ARG 17 -17.251 -15.149 -1.302 139 HE ARG 17 HE ARG 17 -16.366 -12.727 -1.354 140 1HH1 ARG 17 1HH1 ARG 17 -13.706 -14.680 -1.413 141 2HH1 ARG 17 2HH1 ARG 17 -13.096 -14.147 -2.944 142 1HH2 ARG 17 1HH2 ARG 17 -15.956 -12.369 -3.764 143 2HH2 ARG 17 2HH2 ARG 17 -14.370 -12.840 -4.275 144 H PHE 18 H PHE 18 -15.139 -17.620 3.647 145 HA PHE 18 HA PHE 18 -16.972 -19.844 3.707 146 1HB PHE 18 2HB PHE 18 -14.239 -19.341 4.867 147 2HB PHE 18 1HB PHE 18 -15.128 -20.812 5.262 148 HD1 PHE 18 HD1 PHE 18 -16.147 -22.120 3.222 149 HD2 PHE 18 HD2 PHE 18 -12.940 -19.277 2.919 150 HE1 PHE 18 HE1 PHE 18 -15.470 -23.114 1.054 151 HE2 PHE 18 HE2 PHE 18 -12.264 -20.273 0.750 152 HZ PHE 18 HZ PHE 18 -13.528 -22.191 -0.182 153 H ASP 19 H ASP 19 -15.730 -17.670 6.242 154 HA ASP 19 HA ASP 19 -17.170 -18.919 8.388 155 1HB ASP 19 2HB ASP 19 -15.251 -17.138 8.465 156 2HB ASP 19 1HB ASP 19 -16.567 -15.967 8.352 157 H ALA 20 H ALA 20 -19.366 -19.219 8.079 158 HA ALA 20 HA ALA 20 -21.048 -17.415 6.634 159 1HB ALA 20 3HB ALA 20 -21.481 -19.757 8.444 160 2HB ALA 20 1HB ALA 20 -21.949 -19.543 6.756 161 3HB ALA 20 2HB ALA 20 -22.862 -18.739 8.033 162 H ASN 21 H ASN 21 -20.789 -17.939 10.199 163 HA ASN 21 HA ASN 21 -22.472 -15.559 10.598 164 1HB ASN 21 2HB ASN 21 -22.413 -16.091 12.948 165 2HB ASN 21 1HB ASN 21 -22.667 -17.591 12.062 166 1HD2 ASN 21 1HD2 ASN 21 -21.455 -17.161 14.758 167 2HD2 ASN 21 2HD2 ASN 21 -19.917 -17.867 14.683 168 H GLY 22 H GLY 22 -19.100 -16.388 10.602 169 1HA GLY 22 1HA GLY 22 -18.448 -13.528 10.848 170 2HA GLY 22 2HA GLY 22 -17.319 -14.808 10.417 171 H ASP 23 H ASP 23 -17.712 -16.535 12.618 172 HA ASP 23 HA ASP 23 -17.079 -14.822 14.968 173 1HB ASP 23 2HB ASP 23 -17.364 -16.869 16.319 174 2HB ASP 23 1HB ASP 23 -18.793 -16.543 15.344 175 H GLY 24 H GLY 24 -15.406 -16.037 12.497 176 1HA GLY 24 1HA GLY 24 -12.949 -16.255 14.130 177 2HA GLY 24 2HA GLY 24 -13.006 -16.008 12.388 178 H LYS 25 H LYS 25 -15.147 -18.466 13.378 179 HA LYS 25 HA LYS 25 -13.124 -20.510 12.576 180 1HB LYS 25 2HB LYS 25 -13.960 -22.040 14.205 181 2HB LYS 25 1HB LYS 25 -13.777 -20.507 15.055 182 1HG LYS 25 2HG LYS 25 -16.141 -20.047 14.860 183 2HG LYS 25 1HG LYS 25 -16.374 -21.438 13.801 184 1HD LYS 25 2HD LYS 25 -15.555 -22.902 15.687 185 2HD LYS 25 1HD LYS 25 -15.589 -21.477 16.727 186 1HE LYS 25 2HE LYS 25 -17.682 -22.948 16.782 187 2HE LYS 25 1HE LYS 25 -17.951 -21.232 16.477 188 1HZ LYS 25 2HZ LYS 25 -17.590 -23.149 14.261 189 2HZ LYS 25 1HZ LYS 25 -19.114 -22.897 14.967 190 3HZ LYS 25 3HZ LYS 25 -18.302 -21.607 14.224 191 H ILE 26 H ILE 26 -13.819 -22.037 11.116 192 HA ILE 26 HA ILE 26 -16.618 -21.718 10.107 193 HB ILE 26 HB ILE 26 -14.404 -22.929 8.478 194 1HG1 ILE 26 2HG1 ILE 26 -14.957 -19.969 8.845 195 2HG1 ILE 26 1HG1 ILE 26 -13.473 -20.815 9.285 196 1HG2 ILE 26 3HG2 ILE 26 -16.885 -21.302 7.841 197 2HG2 ILE 26 2HG2 ILE 26 -15.765 -21.951 6.643 198 3HG2 ILE 26 1HG2 ILE 26 -16.711 -23.047 7.648 199 1HD1 ILE 26 2HD1 ILE 26 -13.998 -21.479 6.586 200 2HD1 ILE 26 1HD1 ILE 26 -14.245 -19.738 6.725 201 3HD1 ILE 26 3HD1 ILE 26 -12.704 -20.451 7.201 202 H SER 27 H SER 27 -17.884 -23.508 10.102 203 HA SER 27 HA SER 27 -16.643 -26.068 10.998 204 1HB SER 27 2HB SER 27 -18.709 -26.634 11.998 205 2HB SER 27 1HB SER 27 -18.542 -24.911 12.338 206 HG SER 27 HG SER 27 -20.199 -26.225 10.501 207 H ALA 28 H ALA 28 -17.891 -28.048 10.091 208 HA ALA 28 HA ALA 28 -17.612 -28.172 7.305 209 1HB ALA 28 2HB ALA 28 -19.432 -29.760 9.133 210 2HB ALA 28 3HB ALA 28 -17.822 -30.217 8.575 211 3HB ALA 28 1HB ALA 28 -19.169 -30.162 7.436 212 H ALA 29 H ALA 29 -20.583 -27.568 9.178 213 HA ALA 29 HA ALA 29 -22.345 -27.286 6.992 214 1HB ALA 29 2HB ALA 29 -22.420 -26.794 9.796 215 2HB ALA 29 3HB ALA 29 -23.782 -26.900 8.681 216 3HB ALA 29 1HB ALA 29 -23.015 -25.343 8.989 217 H GLU 30 H GLU 30 -20.135 -24.935 8.455 218 HA GLU 30 HA GLU 30 -21.051 -22.777 6.726 219 1HB GLU 30 2HB GLU 30 -18.560 -23.032 8.433 220 2HB GLU 30 1HB GLU 30 -19.090 -21.552 7.634 221 1HG GLU 30 2HG GLU 30 -21.234 -21.675 8.900 222 2HG GLU 30 1HG GLU 30 -20.623 -23.095 9.748 223 H LEU 31 H LEU 31 -18.023 -24.672 6.910 224 HA LEU 31 HA LEU 31 -16.908 -23.664 4.499 225 1HB LEU 31 2HB LEU 31 -15.763 -25.080 6.300 226 2HB LEU 31 1HB LEU 31 -16.520 -26.479 5.542 227 HG LEU 31 HG LEU 31 -14.940 -24.525 3.882 228 1HD1 LEU 31 1HD1 LEU 31 -13.736 -25.607 6.024 229 2HD1 LEU 31 3HD1 LEU 31 -13.604 -26.982 4.926 230 3HD1 LEU 31 2HD1 LEU 31 -12.904 -25.425 4.480 231 1HD2 LEU 31 2HD2 LEU 31 -15.692 -27.453 3.695 232 2HD2 LEU 31 1HD2 LEU 31 -16.212 -26.139 2.638 233 3HD2 LEU 31 3HD2 LEU 31 -14.535 -26.686 2.605 234 H GLY 32 H GLY 32 -18.909 -26.542 5.110 235 1HA GLY 32 1HA GLY 32 -20.208 -27.821 3.640 236 2HA GLY 32 2HA GLY 32 -18.996 -27.460 2.414 237 H GLU 33 H GLU 33 -21.114 -25.246 4.215 238 HA GLU 33 HA GLU 33 -23.033 -24.796 2.192 239 1HB GLU 33 2HB GLU 33 -22.063 -23.310 4.574 240 2HB GLU 33 1HB GLU 33 -22.947 -22.370 3.373 241 1HG GLU 33 2HG GLU 33 -24.719 -24.221 3.449 242 2HG GLU 33 1HG GLU 33 -23.894 -24.808 4.894 243 H ALA 34 H ALA 34 -19.936 -23.128 2.780 244 HA ALA 34 HA ALA 34 -20.270 -21.323 0.548 245 1HB ALA 34 2HB ALA 34 -18.588 -20.416 1.776 246 2HB ALA 34 1HB ALA 34 -18.187 -21.964 2.517 247 3HB ALA 34 3HB ALA 34 -17.539 -21.552 0.930 248 H LEU 35 H LEU 35 -18.710 -24.463 1.010 249 HA LEU 35 HA LEU 35 -17.449 -24.668 -1.516 250 1HB LEU 35 2HB LEU 35 -18.439 -26.612 0.523 251 2HB LEU 35 1HB LEU 35 -18.066 -27.238 -1.080 252 HG LEU 35 HG LEU 35 -16.202 -25.765 0.800 253 1HD1 LEU 35 3HD1 LEU 35 -16.680 -28.553 0.020 254 2HD1 LEU 35 2HD1 LEU 35 -14.994 -28.069 -0.151 255 3HD1 LEU 35 1HD1 LEU 35 -15.802 -27.912 1.408 256 1HD2 LEU 35 3HD2 LEU 35 -15.981 -26.368 -2.145 257 2HD2 LEU 35 2HD2 LEU 35 -15.598 -24.872 -1.295 258 3HD2 LEU 35 1HD2 LEU 35 -14.537 -26.272 -1.138 259 H LYS 36 H LYS 36 -20.822 -25.162 -0.578 260 HA LYS 36 HA LYS 36 -21.883 -26.616 -2.658 261 1HB LYS 36 2HB LYS 36 -22.837 -24.403 -0.975 262 2HB LYS 36 1HB LYS 36 -23.673 -24.523 -2.523 263 1HG LYS 36 2HG LYS 36 -24.089 -26.935 -2.081 264 2HG LYS 36 1HG LYS 36 -23.317 -26.759 -0.505 265 1HD LYS 36 2HD LYS 36 -25.717 -26.575 -0.198 266 2HD LYS 36 1HD LYS 36 -25.006 -24.979 0.047 267 1HE LYS 36 2HE LYS 36 -25.587 -25.326 -2.747 268 2HE LYS 36 1HE LYS 36 -27.030 -25.711 -1.810 269 1HZ LYS 36 1HZ LYS 36 -25.663 -23.394 -0.831 270 2HZ LYS 36 3HZ LYS 36 -26.157 -23.212 -2.444 271 3HZ LYS 36 2HZ LYS 36 -27.298 -23.591 -1.245 272 H THR 37 H THR 37 -20.441 -23.437 -2.874 273 HA THR 37 HA THR 37 -21.487 -22.454 -5.264 274 HB THR 37 HB THR 37 -19.685 -21.424 -3.749 275 HG1 THR 37 HG1 THR 37 -20.396 -20.673 -5.886 276 1HG2 THR 37 3HG2 THR 37 -18.199 -23.498 -4.036 277 2HG2 THR 37 2HG2 THR 37 -17.796 -22.847 -5.625 278 3HG2 THR 37 1HG2 THR 37 -17.405 -21.929 -4.171 279 H LEU 38 H LEU 38 -19.455 -25.221 -4.744 280 HA LEU 38 HA LEU 38 -18.384 -25.527 -7.374 281 1HB LEU 38 2HB LEU 38 -19.119 -27.553 -5.248 282 2HB LEU 38 1HB LEU 38 -18.330 -27.998 -6.761 283 HG LEU 38 HG LEU 38 -17.038 -25.732 -5.425 284 1HD1 LEU 38 3HD1 LEU 38 -17.551 -28.289 -3.958 285 2HD1 LEU 38 2HD1 LEU 38 -15.959 -27.547 -3.801 286 3HD1 LEU 38 1HD1 LEU 38 -17.401 -26.649 -3.329 287 1HD2 LEU 38 3HD2 LEU 38 -16.425 -27.955 -7.128 288 2HD2 LEU 38 2HD2 LEU 38 -15.405 -26.574 -6.724 289 3HD2 LEU 38 1HD2 LEU 38 -15.366 -28.023 -5.719 290 H GLY 39 H GLY 39 -21.496 -26.427 -5.969 291 1HA GLY 39 1HA GLY 39 -22.685 -26.568 -8.633 292 2HA GLY 39 2HA GLY 39 -23.532 -26.820 -7.106 293 H SER 40 H SER 40 -20.781 -28.700 -7.045 294 HA SER 40 HA SER 40 -22.353 -31.133 -7.534 295 1HB SER 40 2HB SER 40 -20.453 -30.056 -9.486 296 2HB SER 40 1HB SER 40 -20.078 -31.711 -9.005 297 HG SER 40 HG SER 40 -22.428 -32.066 -9.361 298 H ILE 41 H ILE 41 -21.655 -30.844 -5.119 299 HA ILE 41 HA ILE 41 -19.280 -32.556 -4.737 300 HB ILE 41 HB ILE 41 -18.640 -30.037 -4.629 301 1HG1 ILE 41 2HG1 ILE 41 -18.012 -31.671 -2.166 302 2HG1 ILE 41 1HG1 ILE 41 -17.347 -32.067 -3.751 303 1HG2 ILE 41 3HG2 ILE 41 -20.736 -29.677 -3.082 304 2HG2 ILE 41 2HG2 ILE 41 -19.655 -30.244 -1.807 305 3HG2 ILE 41 1HG2 ILE 41 -19.243 -28.801 -2.738 306 1HD1 ILE 41 3HD1 ILE 41 -17.058 -29.379 -2.374 307 2HD1 ILE 41 2HD1 ILE 41 -15.811 -30.625 -2.420 308 3HD1 ILE 41 1HD1 ILE 41 -16.334 -29.844 -3.913 309 H THR 42 H THR 42 -19.140 -33.217 -2.348 310 HA THR 42 HA THR 42 -21.902 -33.345 -1.200 311 HB THR 42 HB THR 42 -21.730 -35.598 -1.174 312 HG1 THR 42 HG1 THR 42 -20.039 -36.553 0.052 313 1HG2 THR 42 1HG2 THR 42 -20.342 -35.252 -3.224 314 2HG2 THR 42 3HG2 THR 42 -18.901 -35.281 -2.206 315 3HG2 THR 42 2HG2 THR 42 -19.913 -36.719 -2.343 316 HA PRO 43 HA PRO 43 -20.274 -31.829 2.633 317 1HB PRO 43 2HB PRO 43 -21.467 -33.399 4.481 318 2HB PRO 43 1HB PRO 43 -22.345 -32.165 3.576 319 1HG PRO 43 2HG PRO 43 -22.226 -35.121 3.130 320 2HG PRO 43 1HG PRO 43 -23.617 -34.036 3.036 321 1HD PRO 43 1HD PRO 43 -22.297 -34.922 0.833 322 2HD PRO 43 2HD PRO 43 -23.096 -33.351 0.896 323 H ASP 44 H ASP 44 -20.091 -35.289 2.017 324 HA ASP 44 HA ASP 44 -18.298 -36.018 4.099 325 1HB ASP 44 2HB ASP 44 -18.598 -37.134 1.295 326 2HB ASP 44 1HB ASP 44 -17.666 -37.906 2.579 327 H GLU 45 H GLU 45 -17.737 -34.362 1.045 328 HA GLU 45 HA GLU 45 -14.832 -34.713 1.196 329 1HB GLU 45 2HB GLU 45 -16.558 -32.892 -0.512 330 2HB GLU 45 1HB GLU 45 -14.816 -33.088 -0.698 331 1HG GLU 45 2HG GLU 45 -15.267 -35.590 -0.963 332 2HG GLU 45 1HG GLU 45 -16.973 -35.169 -1.110 333 H VAL 46 H VAL 46 -17.245 -32.311 2.053 334 HA VAL 46 HA VAL 46 -15.413 -30.190 2.692 335 HB VAL 46 HB VAL 46 -18.214 -30.810 3.660 336 1HG1 VAL 46 2HG1 VAL 46 -16.299 -29.045 4.805 337 2HG1 VAL 46 1HG1 VAL 46 -17.469 -28.047 3.941 338 3HG1 VAL 46 3HG1 VAL 46 -18.017 -29.168 5.188 339 1HG2 VAL 46 2HG2 VAL 46 -17.442 -30.059 1.199 340 2HG2 VAL 46 1HG2 VAL 46 -18.940 -29.480 1.927 341 3HG2 VAL 46 3HG2 VAL 46 -17.496 -28.470 1.961 342 H LYS 47 H LYS 47 -16.706 -32.920 4.490 343 HA LYS 47 HA LYS 47 -15.661 -32.103 7.061 344 1HB LYS 47 2HB LYS 47 -17.418 -33.769 7.006 345 2HB LYS 47 1HB LYS 47 -16.451 -34.821 5.972 346 1HG LYS 47 2HG LYS 47 -14.797 -35.098 7.764 347 2HG LYS 47 1HG LYS 47 -15.702 -33.990 8.794 348 1HD LYS 47 2HD LYS 47 -16.478 -36.060 9.545 349 2HD LYS 47 1HD LYS 47 -17.695 -35.649 8.336 350 1HE LYS 47 2HE LYS 47 -15.434 -36.964 7.090 351 2HE LYS 47 1HE LYS 47 -16.082 -37.958 8.396 352 1HZ LYS 47 2HZ LYS 47 -18.338 -37.430 7.378 353 2HZ LYS 47 1HZ LYS 47 -17.475 -36.928 6.003 354 3HZ LYS 47 3HZ LYS 47 -17.346 -38.529 6.544 355 H HIS 48 H HIS 48 -14.427 -34.054 4.388 356 HA HIS 48 HA HIS 48 -12.024 -34.907 5.731 357 1HB HIS 48 2HB HIS 48 -12.759 -36.084 3.743 358 2HB HIS 48 1HB HIS 48 -12.685 -34.603 2.788 359 HD1 HIS 48 HD1 HIS 48 -10.896 -35.771 1.223 360 HD2 HIS 48 HD2 HIS 48 -9.672 -35.244 5.173 361 HE1 HIS 48 HE1 HIS 48 -8.389 -36.133 1.250 362 H MET 49 H MET 49 -12.835 -32.113 3.676 363 HA MET 49 HA MET 49 -10.189 -31.062 3.484 364 1HB MET 49 2HB MET 49 -12.951 -29.907 3.267 365 2HB MET 49 1HB MET 49 -11.564 -28.821 3.324 366 1HG MET 49 2HG MET 49 -10.613 -30.505 1.496 367 2HG MET 49 1HG MET 49 -12.327 -30.819 1.230 368 1HE MET 49 1HE MET 49 -12.873 -30.282 -0.579 369 2HE MET 49 3HE MET 49 -13.438 -28.669 -1.037 370 3HE MET 49 2HE MET 49 -11.891 -29.268 -1.632 371 H MET 50 H MET 50 -12.810 -30.440 5.805 372 HA MET 50 HA MET 50 -11.358 -28.595 7.426 373 1HB MET 50 2HB MET 50 -13.716 -30.404 7.904 374 2HB MET 50 1HB MET 50 -13.023 -29.466 9.224 375 1HG MET 50 2HG MET 50 -13.221 -27.436 7.649 376 2HG MET 50 1HG MET 50 -14.275 -28.456 6.670 377 1HE MET 50 3HE MET 50 -13.442 -26.763 9.797 378 2HE MET 50 2HE MET 50 -14.894 -26.673 10.789 379 3HE MET 50 1HE MET 50 -13.945 -28.157 10.762 380 H ALA 51 H ALA 51 -11.842 -32.112 7.734 381 HA ALA 51 HA ALA 51 -10.260 -32.472 10.069 382 1HB ALA 51 2HB ALA 51 -11.630 -34.296 9.295 383 2HB ALA 51 3HB ALA 51 -9.953 -34.831 9.179 384 3HB ALA 51 1HB ALA 51 -10.818 -34.317 7.730 385 H GLU 52 H GLU 52 -9.378 -31.653 6.856 386 HA GLU 52 HA GLU 52 -6.556 -32.485 7.296 387 1HB GLU 52 2HB GLU 52 -8.165 -31.671 4.896 388 2HB GLU 52 1HB GLU 52 -6.411 -31.494 4.858 389 1HG GLU 52 2HG GLU 52 -6.418 -33.960 5.761 390 2HG GLU 52 1HG GLU 52 -8.056 -33.999 5.107 391 H ILE 53 H ILE 53 -8.587 -29.640 6.825 392 HA ILE 53 HA ILE 53 -6.313 -27.798 6.909 393 HB ILE 53 HB ILE 53 -9.300 -27.314 7.073 394 1HG1 ILE 53 2HG1 ILE 53 -7.365 -27.031 4.759 395 2HG1 ILE 53 1HG1 ILE 53 -8.496 -28.366 4.962 396 1HG2 ILE 53 3HG2 ILE 53 -7.695 -25.545 8.020 397 2HG2 ILE 53 2HG2 ILE 53 -7.144 -25.324 6.358 398 3HG2 ILE 53 1HG2 ILE 53 -8.827 -25.008 6.780 399 1HD1 ILE 53 3HD1 ILE 53 -10.371 -26.724 4.988 400 2HD1 ILE 53 2HD1 ILE 53 -9.211 -25.436 4.660 401 3HD1 ILE 53 1HD1 ILE 53 -9.478 -26.708 3.467 402 H ASP 54 H ASP 54 -8.730 -29.065 9.128 403 HA ASP 54 HA ASP 54 -8.434 -27.243 11.270 404 1HB ASP 54 2HB ASP 54 -10.044 -29.287 10.876 405 2HB ASP 54 1HB ASP 54 -8.792 -30.191 11.715 406 H THR 55 H THR 55 -6.318 -26.675 11.785 407 HA THR 55 HA THR 55 -4.137 -28.556 11.869 408 HB THR 55 HB THR 55 -2.909 -26.707 12.996 409 HG1 THR 55 HG1 THR 55 -4.107 -25.398 14.090 410 1HG2 THR 55 1HG2 THR 55 -4.571 -26.126 10.546 411 2HG2 THR 55 3HG2 THR 55 -3.365 -24.984 11.138 412 3HG2 THR 55 2HG2 THR 55 -2.875 -26.601 10.630 413 H ASP 56 H ASP 56 -6.092 -27.049 14.436 414 HA ASP 56 HA ASP 56 -4.746 -28.722 16.454 415 1HB ASP 56 2HB ASP 56 -6.686 -27.618 17.909 416 2HB ASP 56 1HB ASP 56 -5.241 -26.709 17.470 417 H GLY 57 H GLY 57 -7.794 -28.653 14.700 418 1HA GLY 57 1HA GLY 57 -8.313 -31.394 15.688 419 2HA GLY 57 2HA GLY 57 -9.109 -30.628 14.316 420 H ASP 58 H ASP 58 -9.647 -28.145 15.933 421 HA ASP 58 HA ASP 58 -11.396 -29.084 18.092 422 1HB ASP 58 2HB ASP 58 -11.770 -26.799 18.601 423 2HB ASP 58 1HB ASP 58 -10.088 -26.869 18.077 424 H GLY 59 H GLY 59 -11.679 -29.016 14.787 425 1HA GLY 59 1HA GLY 59 -14.642 -29.067 15.012 426 2HA GLY 59 2HA GLY 59 -13.705 -29.806 13.717 427 H PHE 60 H PHE 60 -12.506 -26.718 14.413 428 HA PHE 60 HA PHE 60 -14.022 -25.639 12.079 429 1HB PHE 60 2HB PHE 60 -13.264 -23.981 14.489 430 2HB PHE 60 1HB PHE 60 -14.309 -23.521 13.145 431 HD1 PHE 60 HD1 PHE 60 -16.461 -24.884 12.778 432 HD2 PHE 60 HD2 PHE 60 -14.166 -25.012 16.402 433 HE1 PHE 60 HE1 PHE 60 -18.426 -25.782 13.992 434 HE2 PHE 60 HE2 PHE 60 -16.128 -25.909 17.616 435 HZ PHE 60 HZ PHE 60 -18.262 -26.297 16.412 436 H ILE 61 H ILE 61 -12.928 -23.967 10.880 437 HA ILE 61 HA ILE 61 -9.971 -24.102 11.168 438 HB ILE 61 HB ILE 61 -11.558 -23.217 8.747 439 1HG1 ILE 61 2HG1 ILE 61 -12.120 -25.553 9.303 440 2HG1 ILE 61 1HG1 ILE 61 -11.132 -25.477 7.845 441 1HG2 ILE 61 2HG2 ILE 61 -9.107 -22.563 9.051 442 2HG2 ILE 61 1HG2 ILE 61 -8.733 -24.282 8.932 443 3HG2 ILE 61 3HG2 ILE 61 -9.487 -23.447 7.574 444 1HD1 ILE 61 3HD1 ILE 61 -10.073 -26.024 10.635 445 2HD1 ILE 61 2HD1 ILE 61 -10.356 -27.254 9.403 446 3HD1 ILE 61 1HD1 ILE 61 -9.125 -26.016 9.148 447 H SER 62 H SER 62 -8.952 -22.216 11.731 448 HA SER 62 HA SER 62 -10.600 -19.768 11.959 449 1HB SER 62 2HB SER 62 -7.750 -19.912 12.874 450 2HB SER 62 1HB SER 62 -9.110 -19.050 13.591 451 HG SER 62 HG SER 62 -9.970 -21.135 14.142 452 H PHE 63 H PHE 63 -9.432 -17.690 11.311 453 HA PHE 63 HA PHE 63 -8.769 -17.758 8.563 454 1HB PHE 63 2HB PHE 63 -9.427 -15.676 9.729 455 2HB PHE 63 1HB PHE 63 -7.903 -15.700 10.622 456 HD1 PHE 63 HD1 PHE 63 -8.852 -16.340 7.055 457 HD2 PHE 63 HD2 PHE 63 -6.408 -14.110 9.791 458 HE1 PHE 63 HE1 PHE 63 -7.719 -15.243 5.147 459 HE2 PHE 63 HE2 PHE 63 -5.270 -13.013 7.880 460 HZ PHE 63 HZ PHE 63 -5.931 -13.578 5.555 461 H GLN 64 H GLN 64 -6.677 -17.763 11.422 462 HA GLN 64 HA GLN 64 -4.188 -17.699 10.031 463 1HB GLN 64 2HB GLN 64 -4.547 -17.361 12.511 464 2HB GLN 64 1HB GLN 64 -4.775 -19.104 12.652 465 1HG GLN 64 2HG GLN 64 -2.312 -17.901 11.371 466 2HG GLN 64 1HG GLN 64 -2.403 -18.230 13.101 467 1HE2 GLN 64 1HE2 GLN 64 -0.847 -19.574 10.758 468 2HE2 GLN 64 2HE2 GLN 64 -1.182 -21.225 10.961 469 H GLU 65 H GLU 65 -6.158 -20.440 11.218 470 HA GLU 65 HA GLU 65 -4.459 -22.530 10.326 471 1HB GLU 65 2HB GLU 65 -7.396 -22.282 10.858 472 2HB GLU 65 1HB GLU 65 -6.795 -23.740 10.080 473 1HG GLU 65 2HG GLU 65 -5.209 -24.078 11.946 474 2HG GLU 65 1HG GLU 65 -5.826 -22.624 12.729 475 H PHE 66 H PHE 66 -7.185 -20.925 8.687 476 HA PHE 66 HA PHE 66 -7.033 -22.384 6.254 477 1HB PHE 66 2HB PHE 66 -8.900 -20.845 6.903 478 2HB PHE 66 1HB PHE 66 -7.829 -19.478 6.592 479 HD1 PHE 66 HD1 PHE 66 -7.082 -18.948 4.311 480 HD2 PHE 66 HD2 PHE 66 -9.776 -22.205 5.083 481 HE1 PHE 66 HE1 PHE 66 -7.634 -19.066 1.896 482 HE2 PHE 66 HE2 PHE 66 -10.327 -22.322 2.669 483 HZ PHE 66 HZ PHE 66 -9.257 -20.752 1.075 484 H THR 67 H THR 67 -5.339 -19.473 7.337 485 HA THR 67 HA THR 67 -4.035 -18.919 4.844 486 HB THR 67 HB THR 67 -3.326 -18.253 7.712 487 HG1 THR 67 HG1 THR 67 -4.920 -16.960 7.181 488 1HG2 THR 67 3HG2 THR 67 -1.276 -18.377 6.313 489 2HG2 THR 67 2HG2 THR 67 -2.010 -17.253 5.168 490 3HG2 THR 67 1HG2 THR 67 -1.638 -16.724 6.809 491 H ASP 68 H ASP 68 -2.997 -20.771 7.718 492 HA ASP 68 HA ASP 68 -0.423 -21.487 6.746 493 1HB ASP 68 2HB ASP 68 -1.288 -21.843 9.095 494 2HB ASP 68 1HB ASP 68 -2.205 -23.217 8.479 495 H PHE 69 H PHE 69 -3.588 -23.025 6.289 496 HA PHE 69 HA PHE 69 -2.526 -25.268 4.800 497 1HB PHE 69 2HB PHE 69 -4.585 -25.867 5.597 498 2HB PHE 69 1HB PHE 69 -5.184 -24.211 5.579 499 HD1 PHE 69 HD1 PHE 69 -5.727 -23.161 3.311 500 HD2 PHE 69 HD2 PHE 69 -5.191 -27.376 3.895 501 HE1 PHE 69 HE1 PHE 69 -6.938 -23.608 1.190 502 HE2 PHE 69 HE2 PHE 69 -6.397 -27.829 1.781 503 HZ PHE 69 HZ PHE 69 -7.275 -25.945 0.424 504 H GLY 70 H GLY 70 -3.828 -22.089 3.981 505 1HA GLY 70 1HA GLY 70 -3.744 -20.887 1.966 506 2HA GLY 70 2HA GLY 70 -4.049 -22.431 1.171 507 H ARG 71 H ARG 71 -1.251 -21.752 3.219 508 HA ARG 71 HA ARG 71 0.572 -21.110 1.093 509 1HB ARG 71 2HB ARG 71 1.071 -22.288 3.844 510 2HB ARG 71 1HB ARG 71 2.337 -21.693 2.770 511 1HG ARG 71 2HG ARG 71 1.176 -19.467 2.736 512 2HG ARG 71 1HG ARG 71 0.049 -20.085 3.943 513 1HD ARG 71 2HD ARG 71 3.059 -19.864 4.261 514 2HD ARG 71 1HD ARG 71 1.857 -18.835 5.040 515 HE ARG 71 HE ARG 71 1.594 -21.720 5.578 516 1HH1 ARG 71 1HH1 ARG 71 0.420 -19.822 7.456 517 2HH1 ARG 71 2HH1 ARG 71 1.606 -19.705 8.713 518 1HH2 ARG 71 1HH2 ARG 71 4.158 -21.062 6.798 519 2HH2 ARG 71 2HH2 ARG 71 3.721 -20.407 8.340 520 H ALA 72 H ALA 72 -0.622 -24.125 2.417 521 HA ALA 72 HA ALA 72 1.398 -25.810 1.196 522 1HB ALA 72 3HB ALA 72 0.400 -27.254 2.611 523 2HB ALA 72 1HB ALA 72 -0.980 -27.297 1.515 524 3HB ALA 72 2HB ALA 72 -0.952 -26.145 2.850 525 H ASN 73 H ASN 73 -1.486 -24.244 0.102 526 HA ASN 73 HA ASN 73 -1.020 -25.300 -2.614 527 1HB ASN 73 2HB ASN 73 -3.846 -25.371 -1.608 528 2HB ASN 73 1HB ASN 73 -3.102 -26.299 -2.911 529 1HD2 ASN 73 1HD2 ASN 73 -4.120 -26.493 0.323 530 2HD2 ASN 73 2HD2 ASN 73 -3.265 -27.889 0.768 531 H ARG 74 H ARG 74 -0.392 -22.816 -2.085 532 HA ARG 74 HA ARG 74 -2.324 -20.795 -1.908 533 1HB ARG 74 2HB ARG 74 0.243 -20.861 -3.522 534 2HB ARG 74 1HB ARG 74 -0.710 -19.400 -3.256 535 1HG ARG 74 2HG ARG 74 -0.511 -19.882 -0.759 536 2HG ARG 74 1HG ARG 74 0.689 -21.105 -1.181 537 1HD ARG 74 2HD ARG 74 0.841 -18.156 -1.885 538 2HD ARG 74 1HD ARG 74 1.785 -18.965 -0.635 539 HE ARG 74 HE ARG 74 2.605 -20.417 -2.676 540 1HH1 ARG 74 1HH1 ARG 74 2.936 -17.168 -2.016 541 2HH1 ARG 74 2HH1 ARG 74 3.479 -16.710 -3.595 542 1HH2 ARG 74 1HH2 ARG 74 2.800 -19.800 -5.014 543 2HH2 ARG 74 2HH2 ARG 74 3.402 -18.199 -5.293 544 H GLY 75 H GLY 75 -1.261 -22.631 -4.733 545 1HA GLY 75 1HA GLY 75 -2.248 -22.903 -6.828 546 2HA GLY 75 2HA GLY 75 -2.736 -21.212 -6.705 547 H LEU 76 H LEU 76 -3.698 -23.626 -4.349 548 HA LEU 76 HA LEU 76 -6.232 -24.296 -5.530 549 1HB LEU 76 2HB LEU 76 -5.133 -24.470 -2.725 550 2HB LEU 76 1HB LEU 76 -6.799 -24.920 -3.087 551 HG LEU 76 HG LEU 76 -4.327 -26.088 -4.403 552 1HD1 LEU 76 3HD1 LEU 76 -5.476 -26.661 -1.914 553 2HD1 LEU 76 2HD1 LEU 76 -6.107 -27.908 -2.990 554 3HD1 LEU 76 1HD1 LEU 76 -4.366 -27.693 -2.816 555 1HD2 LEU 76 3HD2 LEU 76 -7.243 -26.228 -4.968 556 2HD2 LEU 76 2HD2 LEU 76 -5.875 -26.405 -6.067 557 3HD2 LEU 76 1HD2 LEU 76 -6.360 -27.754 -5.040 558 H LEU 77 H LEU 77 -5.297 -21.919 -3.054 559 HA LEU 77 HA LEU 77 -7.909 -20.905 -2.557 560 1HB LEU 77 2HB LEU 77 -5.253 -19.446 -2.434 561 2HB LEU 77 1HB LEU 77 -6.756 -18.899 -1.690 562 HG LEU 77 HG LEU 77 -5.150 -21.375 -1.012 563 1HD1 LEU 77 1HD1 LEU 77 -5.793 -18.760 0.292 564 2HD1 LEU 77 3HD1 LEU 77 -5.617 -20.180 1.323 565 3HD1 LEU 77 2HD1 LEU 77 -4.282 -19.668 0.291 566 1HD2 LEU 77 2HD2 LEU 77 -7.984 -20.605 -0.290 567 2HD2 LEU 77 1HD2 LEU 77 -7.415 -22.123 -0.982 568 3HD2 LEU 77 3HD2 LEU 77 -7.035 -21.720 0.693 569 H LYS 78 H LYS 78 -5.509 -20.080 -5.025 570 HA LYS 78 HA LYS 78 -6.831 -17.767 -6.055 571 1HB LYS 78 2HB LYS 78 -5.081 -19.798 -7.476 572 2HB LYS 78 1HB LYS 78 -5.534 -18.225 -8.131 573 1HG LYS 78 2HG LYS 78 -4.536 -17.229 -5.980 574 2HG LYS 78 1HG LYS 78 -3.819 -18.819 -5.713 575 1HD LYS 78 2HD LYS 78 -3.439 -17.128 -8.205 576 2HD LYS 78 1HD LYS 78 -2.260 -17.297 -6.904 577 1HE LYS 78 2HE LYS 78 -1.722 -19.465 -7.489 578 2HE LYS 78 1HE LYS 78 -3.329 -19.801 -8.132 579 1HZ LYS 78 1HZ LYS 78 -1.568 -17.850 -9.464 580 2HZ LYS 78 3HZ LYS 78 -1.376 -19.510 -9.756 581 3HZ LYS 78 2HZ LYS 78 -2.853 -18.750 -10.115 582 H ASP 79 H ASP 79 -7.497 -21.168 -6.372 583 HA ASP 79 HA ASP 79 -9.165 -20.892 -8.748 584 1HB ASP 79 2HB ASP 79 -8.060 -23.034 -8.190 585 2HB ASP 79 1HB ASP 79 -9.011 -23.132 -6.708 586 H VAL 80 H VAL 80 -9.683 -20.969 -5.253 587 HA VAL 80 HA VAL 80 -12.601 -20.885 -5.556 588 HB VAL 80 HB VAL 80 -11.028 -20.340 -3.032 589 1HG1 VAL 80 2HG1 VAL 80 -13.809 -20.610 -3.736 590 2HG1 VAL 80 1HG1 VAL 80 -13.354 -21.910 -2.634 591 3HG1 VAL 80 3HG1 VAL 80 -13.102 -20.228 -2.166 592 1HG2 VAL 80 3HG2 VAL 80 -11.743 -22.984 -4.325 593 2HG2 VAL 80 2HG2 VAL 80 -10.134 -22.406 -3.895 594 3HG2 VAL 80 1HG2 VAL 80 -11.289 -22.826 -2.629 595 H ALA 81 H ALA 81 -9.959 -18.631 -5.055 596 HA ALA 81 HA ALA 81 -11.466 -16.393 -4.136 597 1HB ALA 81 2HB ALA 81 -9.581 -15.066 -4.727 598 2HB ALA 81 1HB ALA 81 -8.917 -16.638 -4.280 599 3HB ALA 81 3HB ALA 81 -9.081 -16.201 -5.981 600 H LYS 82 H LYS 82 -11.424 -17.967 -7.188 601 HA LYS 82 HA LYS 82 -12.477 -15.573 -8.591 602 1HB LYS 82 2HB LYS 82 -11.920 -18.369 -9.634 603 2HB LYS 82 1HB LYS 82 -12.351 -16.966 -10.612 604 1HG LYS 82 2HG LYS 82 -10.284 -15.845 -9.478 605 2HG LYS 82 1HG LYS 82 -9.805 -17.498 -9.093 606 1HD LYS 82 2HD LYS 82 -9.974 -18.090 -11.496 607 2HD LYS 82 1HD LYS 82 -10.407 -16.421 -11.866 608 1HE LYS 82 2HE LYS 82 -7.948 -16.764 -10.251 609 2HE LYS 82 1HE LYS 82 -7.851 -17.359 -11.908 610 1HZ LYS 82 2HZ LYS 82 -9.060 -14.733 -11.452 611 2HZ LYS 82 1HZ LYS 82 -7.370 -14.863 -11.330 612 3HZ LYS 82 3HZ LYS 82 -8.149 -15.292 -12.773 613 H ILE 83 H ILE 83 -13.484 -18.679 -7.308 614 HA ILE 83 HA ILE 83 -16.010 -18.911 -8.582 615 HB ILE 83 HB ILE 83 -15.166 -19.739 -5.790 616 1HG1 ILE 83 2HG1 ILE 83 -15.131 -21.082 -8.498 617 2HG1 ILE 83 1HG1 ILE 83 -13.794 -20.868 -7.371 618 1HG2 ILE 83 1HG2 ILE 83 -17.748 -19.604 -6.835 619 2HG2 ILE 83 3HG2 ILE 83 -17.276 -21.285 -7.088 620 3HG2 ILE 83 2HG2 ILE 83 -17.233 -20.591 -5.467 621 1HD1 ILE 83 1HD1 ILE 83 -14.992 -22.360 -5.749 622 2HD1 ILE 83 3HD1 ILE 83 -16.215 -22.654 -6.985 623 3HD1 ILE 83 2HD1 ILE 83 -14.551 -23.177 -7.249 624 H PHE 84 H PHE 84 -14.988 -17.048 -5.764 625 HA PHE 84 HA PHE 84 -17.755 -16.054 -5.377 626 1HB PHE 84 2HB PHE 84 -15.205 -15.544 -3.816 627 2HB PHE 84 1HB PHE 84 -16.797 -14.924 -3.379 628 HD1 PHE 84 HD1 PHE 84 -14.719 -17.966 -3.715 629 HD2 PHE 84 HD2 PHE 84 -18.512 -16.374 -2.473 630 HE1 PHE 84 HE1 PHE 84 -15.242 -20.101 -2.566 631 HE2 PHE 84 HE2 PHE 84 -19.032 -18.509 -1.324 632 HZ PHE 84 HZ PHE 84 -17.397 -20.373 -1.370 No H/Q in entry = 632 Start of MODEL 10 1 H1 ALA 1 1H ALA 1 10.365 -15.563 -1.348 2 H2 ALA 1 3H ALA 1 11.445 -15.700 -0.047 3 H3 ALA 1 2H ALA 1 9.909 -16.420 0.046 4 HA ALA 1 HA ALA 1 9.487 -14.562 1.256 5 1HB ALA 1 2HB ALA 1 10.838 -12.704 1.278 6 2HB ALA 1 1HB ALA 1 11.959 -13.810 0.485 7 3HB ALA 1 3HB ALA 1 11.008 -12.679 -0.477 8 H ASP 2 H ASP 2 8.352 -15.620 -1.313 9 HA ASP 2 HA ASP 2 7.331 -13.273 -2.729 10 1HB ASP 2 2HB ASP 2 6.509 -16.192 -2.859 11 2HB ASP 2 1HB ASP 2 5.961 -14.931 -3.965 12 H ASP 3 H ASP 3 6.583 -14.727 0.202 13 HA ASP 3 HA ASP 3 3.679 -14.343 0.074 14 1HB ASP 3 2HB ASP 3 4.891 -16.070 1.524 15 2HB ASP 3 1HB ASP 3 5.354 -14.723 2.565 16 H HIS 4 H HIS 4 3.003 -12.241 -0.058 17 HA HIS 4 HA HIS 4 4.348 -10.249 1.725 18 1HB HIS 4 2HB HIS 4 2.615 -9.008 -0.217 19 2HB HIS 4 1HB HIS 4 4.353 -8.816 -0.015 20 HD1 HIS 4 HD1 HIS 4 1.790 -10.616 -2.043 21 HD2 HIS 4 HD2 HIS 4 5.943 -10.537 -1.685 22 HE1 HIS 4 HE1 HIS 4 2.706 -11.850 -4.056 23 HA PRO 5 HA PRO 5 0.587 -9.444 3.924 24 1HB PRO 5 2HB PRO 5 0.226 -6.769 3.779 25 2HB PRO 5 1HB PRO 5 1.488 -7.513 4.764 26 1HG PRO 5 2HG PRO 5 1.687 -6.277 2.043 27 2HG PRO 5 1HG PRO 5 2.777 -6.106 3.422 28 1HD PRO 5 1HD PRO 5 3.329 -7.762 1.362 29 2HD PRO 5 2HD PRO 5 3.817 -8.134 3.015 30 H GLN 6 H GLN 6 0.758 -8.253 0.642 31 HA GLN 6 HA GLN 6 -1.969 -7.473 0.311 32 1HB GLN 6 2HB GLN 6 0.253 -8.306 -1.510 33 2HB GLN 6 1HB GLN 6 -1.384 -8.261 -2.161 34 1HG GLN 6 2HG GLN 6 -1.629 -5.942 -1.655 35 2HG GLN 6 1HG GLN 6 -0.198 -5.944 -0.624 36 1HE2 GLN 6 1HE2 GLN 6 1.930 -6.495 -1.830 37 2HE2 GLN 6 2HE2 GLN 6 2.090 -5.922 -3.421 38 H ASP 7 H ASP 7 -0.343 -10.598 0.155 39 HA ASP 7 HA ASP 7 -2.467 -12.098 -1.012 40 1HB ASP 7 2HB ASP 7 -0.302 -12.893 0.950 41 2HB ASP 7 1HB ASP 7 -1.407 -14.050 0.208 42 H LYS 8 H LYS 8 -1.708 -11.418 2.397 43 HA LYS 8 HA LYS 8 -3.721 -12.880 3.655 44 1HB LYS 8 2HB LYS 8 -2.495 -10.199 4.269 45 2HB LYS 8 1HB LYS 8 -3.770 -10.860 5.294 46 1HG LYS 8 2HG LYS 8 -2.406 -12.968 5.486 47 2HG LYS 8 1HG LYS 8 -1.099 -12.133 4.649 48 1HD LYS 8 2HD LYS 8 -0.599 -11.820 6.942 49 2HD LYS 8 1HD LYS 8 -1.367 -10.307 6.460 50 1HE LYS 8 2HE LYS 8 -3.543 -11.176 7.306 51 2HE LYS 8 1HE LYS 8 -2.720 -12.636 7.856 52 1HZ LYS 8 3HZ LYS 8 -1.221 -10.594 8.867 53 2HZ LYS 8 2HZ LYS 8 -2.819 -10.045 9.056 54 3HZ LYS 8 1HZ LYS 8 -2.342 -11.530 9.730 55 H ALA 9 H ALA 9 -3.998 -9.796 1.950 56 HA ALA 9 HA ALA 9 -6.664 -9.166 2.713 57 1HB ALA 9 3HB ALA 9 -4.750 -8.212 0.805 58 2HB ALA 9 1HB ALA 9 -6.197 -7.396 1.398 59 3HB ALA 9 2HB ALA 9 -6.291 -8.437 -0.023 60 H GLU 10 H GLU 10 -5.419 -11.063 -0.019 61 HA GLU 10 HA GLU 10 -8.027 -11.772 -1.026 62 1HB GLU 10 2HB GLU 10 -5.453 -13.341 -1.350 63 2HB GLU 10 1HB GLU 10 -6.863 -13.379 -2.409 64 1HG GLU 10 2HG GLU 10 -6.481 -10.876 -2.771 65 2HG GLU 10 1HG GLU 10 -4.918 -11.099 -1.985 66 H ARG 11 H ARG 11 -5.768 -13.282 1.237 67 HA ARG 11 HA ARG 11 -7.279 -15.708 1.594 68 1HB ARG 11 2HB ARG 11 -5.249 -14.297 3.342 69 2HB ARG 11 1HB ARG 11 -5.936 -15.870 3.735 70 1HG ARG 11 2HG ARG 11 -5.174 -16.593 1.381 71 2HG ARG 11 1HG ARG 11 -4.204 -15.120 1.376 72 1HD ARG 11 2HD ARG 11 -3.367 -15.977 3.704 73 2HD ARG 11 1HD ARG 11 -3.961 -17.541 3.144 74 HE ARG 11 HE ARG 11 -1.737 -16.003 1.916 75 1HH1 ARG 11 1HH1 ARG 11 -3.446 -17.536 -0.070 76 2HH1 ARG 11 2HH1 ARG 11 -2.602 -19.047 -0.151 77 1HH2 ARG 11 1HH2 ARG 11 -0.780 -18.487 2.746 78 2HH2 ARG 11 2HH2 ARG 11 -1.095 -19.585 1.444 79 H GLU 12 H GLU 12 -7.218 -12.600 3.280 80 HA GLU 12 HA GLU 12 -9.059 -13.333 5.357 81 1HB GLU 12 2HB GLU 12 -7.970 -10.789 4.251 82 2HB GLU 12 1HB GLU 12 -9.465 -10.681 5.178 83 1HG GLU 12 2HG GLU 12 -8.352 -11.965 7.020 84 2HG GLU 12 1HG GLU 12 -6.846 -11.896 6.104 85 H ARG 13 H ARG 13 -9.503 -11.887 2.149 86 HA ARG 13 HA ARG 13 -12.344 -11.507 2.422 87 1HB ARG 13 2HB ARG 13 -10.662 -11.865 -0.076 88 2HB ARG 13 1HB ARG 13 -12.321 -11.270 -0.042 89 1HG ARG 13 2HG ARG 13 -11.693 -9.303 1.149 90 2HG ARG 13 1HG ARG 13 -10.104 -9.956 1.540 91 1HD ARG 13 2HD ARG 13 -9.685 -8.464 -0.250 92 2HD ARG 13 1HD ARG 13 -9.730 -10.051 -1.018 93 HE ARG 13 HE ARG 13 -11.489 -9.163 -2.297 94 1HH1 ARG 13 1HH1 ARG 13 -13.439 -9.506 -0.079 95 2HH1 ARG 13 2HH1 ARG 13 -14.054 -7.900 0.133 96 1HH2 ARG 13 1HH2 ARG 13 -11.459 -6.394 -1.605 97 2HH2 ARG 13 2HH2 ARG 13 -12.933 -6.139 -0.731 98 H ILE 14 H ILE 14 -10.347 -14.139 1.142 99 HA ILE 14 HA ILE 14 -12.600 -15.736 0.281 100 HB ILE 14 HB ILE 14 -9.784 -16.616 0.990 101 1HG1 ILE 14 2HG1 ILE 14 -10.818 -16.088 -1.784 102 2HG1 ILE 14 1HG1 ILE 14 -10.185 -14.763 -0.813 103 1HG2 ILE 14 2HG2 ILE 14 -12.081 -17.889 -0.504 104 2HG2 ILE 14 1HG2 ILE 14 -10.413 -18.409 -0.749 105 3HG2 ILE 14 3HG2 ILE 14 -11.158 -18.550 0.844 106 1HD1 ILE 14 1HD1 ILE 14 -8.611 -17.313 -1.116 107 2HD1 ILE 14 3HD1 ILE 14 -8.541 -16.069 -2.366 108 3HD1 ILE 14 2HD1 ILE 14 -8.030 -15.695 -0.720 109 H PHE 15 H PHE 15 -10.555 -15.689 3.207 110 HA PHE 15 HA PHE 15 -11.905 -17.900 4.465 111 1HB PHE 15 2HB PHE 15 -9.672 -17.109 5.203 112 2HB PHE 15 1HB PHE 15 -10.402 -15.605 5.769 113 HD1 PHE 15 HD1 PHE 15 -11.880 -15.585 7.733 114 HD2 PHE 15 HD2 PHE 15 -10.083 -19.228 6.341 115 HE1 PHE 15 HE1 PHE 15 -12.507 -16.708 9.857 116 HE2 PHE 15 HE2 PHE 15 -10.706 -20.350 8.462 117 HZ PHE 15 HZ PHE 15 -11.923 -19.095 10.221 118 H LYS 16 H LYS 16 -12.432 -14.409 4.434 119 HA LYS 16 HA LYS 16 -14.445 -14.366 6.484 120 1HB LYS 16 2HB LYS 16 -13.706 -12.536 4.211 121 2HB LYS 16 1HB LYS 16 -15.169 -12.235 5.147 122 1HG LYS 16 2HG LYS 16 -13.861 -12.166 7.217 123 2HG LYS 16 1HG LYS 16 -12.390 -12.550 6.323 124 1HD LYS 16 2HD LYS 16 -12.689 -10.460 4.999 125 2HD LYS 16 1HD LYS 16 -14.101 -10.068 5.980 126 1HE LYS 16 2HE LYS 16 -12.625 -10.183 8.017 127 2HE LYS 16 1HE LYS 16 -11.241 -10.364 6.939 128 1HZ LYS 16 1HZ LYS 16 -11.813 -8.259 5.906 129 2HZ LYS 16 3HZ LYS 16 -13.143 -8.084 6.943 130 3HZ LYS 16 2HZ LYS 16 -11.566 -8.059 7.575 131 H ARG 17 H ARG 17 -14.489 -15.142 3.066 132 HA ARG 17 HA ARG 17 -17.365 -15.022 2.761 133 1HB ARG 17 2HB ARG 17 -15.138 -16.317 1.184 134 2HB ARG 17 1HB ARG 17 -16.830 -16.547 0.743 135 1HG ARG 17 2HG ARG 17 -16.964 -13.943 0.888 136 2HG ARG 17 1HG ARG 17 -15.208 -14.010 0.752 137 1HD ARG 17 2HD ARG 17 -15.650 -15.576 -1.278 138 2HD ARG 17 1HD ARG 17 -17.285 -14.918 -1.233 139 HE ARG 17 HE ARG 17 -16.190 -12.641 -1.486 140 1HH1 ARG 17 1HH1 ARG 17 -13.631 -14.696 -1.380 141 2HH1 ARG 17 2HH1 ARG 17 -12.988 -14.315 -2.942 142 1HH2 ARG 17 1HH2 ARG 17 -15.772 -12.507 -3.941 143 2HH2 ARG 17 2HH2 ARG 17 -14.200 -13.076 -4.393 144 H PHE 18 H PHE 18 -15.045 -17.536 3.647 145 HA PHE 18 HA PHE 18 -16.961 -19.695 3.640 146 1HB PHE 18 2HB PHE 18 -14.236 -19.315 4.870 147 2HB PHE 18 1HB PHE 18 -15.184 -20.769 5.183 148 HD1 PHE 18 HD1 PHE 18 -16.166 -21.980 3.073 149 HD2 PHE 18 HD2 PHE 18 -12.890 -19.203 2.958 150 HE1 PHE 18 HE1 PHE 18 -15.451 -22.913 0.890 151 HE2 PHE 18 HE2 PHE 18 -12.176 -20.137 0.774 152 HZ PHE 18 HZ PHE 18 -13.457 -21.992 -0.259 153 H ASP 19 H ASP 19 -15.609 -17.676 6.253 154 HA ASP 19 HA ASP 19 -17.120 -18.844 8.368 155 1HB ASP 19 2HB ASP 19 -15.186 -17.073 8.437 156 2HB ASP 19 1HB ASP 19 -16.496 -15.897 8.316 157 H ALA 20 H ALA 20 -19.313 -19.126 8.045 158 HA ALA 20 HA ALA 20 -20.965 -17.318 6.568 159 1HB ALA 20 2HB ALA 20 -21.467 -19.736 6.999 160 2HB ALA 20 1HB ALA 20 -21.842 -19.313 8.669 161 3HB ALA 20 3HB ALA 20 -22.818 -18.659 7.354 162 H ASN 21 H ASN 21 -20.732 -17.818 10.136 163 HA ASN 21 HA ASN 21 -22.406 -15.418 10.498 164 1HB ASN 21 2HB ASN 21 -22.364 -15.948 12.869 165 2HB ASN 21 1HB ASN 21 -22.725 -17.409 11.956 166 1HD2 ASN 21 1HD2 ASN 21 -21.532 -17.206 14.647 167 2HD2 ASN 21 2HD2 ASN 21 -20.027 -17.979 14.560 168 H GLY 22 H GLY 22 -19.037 -16.333 10.711 169 1HA GLY 22 1HA GLY 22 -18.369 -13.464 11.009 170 2HA GLY 22 2HA GLY 22 -17.245 -14.736 10.542 171 H ASP 23 H ASP 23 -17.922 -16.524 12.732 172 HA ASP 23 HA ASP 23 -17.262 -14.950 15.150 173 1HB ASP 23 2HB ASP 23 -17.518 -17.087 16.369 174 2HB ASP 23 1HB ASP 23 -18.941 -16.721 15.398 175 H GLY 24 H GLY 24 -15.517 -16.026 12.648 176 1HA GLY 24 1HA GLY 24 -13.081 -16.244 14.313 177 2HA GLY 24 2HA GLY 24 -13.118 -15.949 12.577 178 H LYS 25 H LYS 25 -15.251 -18.448 13.330 179 HA LYS 25 HA LYS 25 -13.173 -20.447 12.564 180 1HB LYS 25 2HB LYS 25 -14.118 -22.060 14.096 181 2HB LYS 25 1HB LYS 25 -13.801 -20.582 15.006 182 1HG LYS 25 2HG LYS 25 -16.104 -19.963 14.978 183 2HG LYS 25 1HG LYS 25 -16.491 -21.176 13.757 184 1HD LYS 25 2HD LYS 25 -15.604 -22.882 15.526 185 2HD LYS 25 1HD LYS 25 -15.858 -21.568 16.676 186 1HE LYS 25 2HE LYS 25 -18.213 -21.446 15.384 187 2HE LYS 25 1HE LYS 25 -17.856 -23.155 15.136 188 1HZ LYS 25 2HZ LYS 25 -17.477 -23.345 17.544 189 2HZ LYS 25 1HZ LYS 25 -17.962 -21.728 17.736 190 3HZ LYS 25 3HZ LYS 25 -19.068 -22.882 17.169 191 H ILE 26 H ILE 26 -13.821 -21.978 11.081 192 HA ILE 26 HA ILE 26 -16.576 -21.639 9.963 193 HB ILE 26 HB ILE 26 -14.275 -22.871 8.465 194 1HG1 ILE 26 2HG1 ILE 26 -14.932 -19.922 8.724 195 2HG1 ILE 26 1HG1 ILE 26 -13.441 -20.710 9.239 196 1HG2 ILE 26 2HG2 ILE 26 -16.573 -23.068 7.568 197 2HG2 ILE 26 1HG2 ILE 26 -16.740 -21.313 7.625 198 3HG2 ILE 26 3HG2 ILE 26 -15.570 -22.052 6.533 199 1HD1 ILE 26 1HD1 ILE 26 -13.993 -21.369 6.485 200 2HD1 ILE 26 3HD1 ILE 26 -14.012 -19.619 6.694 201 3HD1 ILE 26 2HD1 ILE 26 -12.587 -20.547 7.162 202 H SER 27 H SER 27 -17.873 -23.416 9.924 203 HA SER 27 HA SER 27 -16.700 -25.980 10.897 204 1HB SER 27 2HB SER 27 -18.779 -26.490 11.852 205 2HB SER 27 1HB SER 27 -18.688 -24.743 12.080 206 HG SER 27 HG SER 27 -20.314 -24.519 10.795 207 H ALA 28 H ALA 28 -17.819 -27.967 9.916 208 HA ALA 28 HA ALA 28 -17.453 -28.064 7.143 209 1HB ALA 28 2HB ALA 28 -19.424 -29.946 7.520 210 2HB ALA 28 3HB ALA 28 -18.783 -29.761 9.151 211 3HB ALA 28 1HB ALA 28 -17.709 -30.220 7.830 212 H ALA 29 H ALA 29 -20.471 -27.476 8.937 213 HA ALA 29 HA ALA 29 -22.190 -27.252 6.703 214 1HB ALA 29 2HB ALA 29 -22.516 -27.023 9.404 215 2HB ALA 29 3HB ALA 29 -23.747 -26.571 8.224 216 3HB ALA 29 1HB ALA 29 -22.683 -25.340 8.904 217 H GLU 30 H GLU 30 -20.079 -24.836 8.224 218 HA GLU 30 HA GLU 30 -20.989 -22.698 6.483 219 1HB GLU 30 2HB GLU 30 -18.527 -22.952 8.232 220 2HB GLU 30 1HB GLU 30 -19.001 -21.476 7.391 221 1HG GLU 30 2HG GLU 30 -21.177 -21.520 8.598 222 2HG GLU 30 1HG GLU 30 -20.640 -22.951 9.477 223 H LEU 31 H LEU 31 -17.946 -24.575 6.646 224 HA LEU 31 HA LEU 31 -16.883 -23.523 4.209 225 1HB LEU 31 2HB LEU 31 -15.407 -24.695 5.719 226 2HB LEU 31 1HB LEU 31 -16.400 -26.151 5.644 227 HG LEU 31 HG LEU 31 -15.916 -26.236 3.160 228 1HD1 LEU 31 3HD1 LEU 31 -13.941 -24.075 3.955 229 2HD1 LEU 31 2HD1 LEU 31 -13.909 -24.938 2.418 230 3HD1 LEU 31 1HD1 LEU 31 -15.281 -23.908 2.821 231 1HD2 LEU 31 2HD2 LEU 31 -14.319 -27.000 5.376 232 2HD2 LEU 31 1HD2 LEU 31 -14.336 -27.721 3.767 233 3HD2 LEU 31 3HD2 LEU 31 -13.211 -26.413 4.135 234 H GLY 32 H GLY 32 -18.869 -26.385 4.896 235 1HA GLY 32 1HA GLY 32 -20.110 -27.754 3.450 236 2HA GLY 32 2HA GLY 32 -18.913 -27.380 2.212 237 H GLU 33 H GLU 33 -21.121 -25.219 3.990 238 HA GLU 33 HA GLU 33 -23.019 -24.857 1.925 239 1HB GLU 33 2HB GLU 33 -22.161 -23.307 4.316 240 2HB GLU 33 1HB GLU 33 -23.094 -22.441 3.098 241 1HG GLU 33 2HG GLU 33 -24.767 -24.353 3.181 242 2HG GLU 33 1HG GLU 33 -23.896 -24.947 4.595 243 H ALA 34 H ALA 34 -19.985 -23.106 2.564 244 HA ALA 34 HA ALA 34 -20.351 -21.329 0.296 245 1HB ALA 34 2HB ALA 34 -18.774 -20.294 1.562 246 2HB ALA 34 1HB ALA 34 -18.325 -21.797 2.370 247 3HB ALA 34 3HB ALA 34 -17.627 -21.396 0.800 248 H LEU 35 H LEU 35 -18.616 -24.346 0.914 249 HA LEU 35 HA LEU 35 -17.282 -24.537 -1.594 250 1HB LEU 35 2HB LEU 35 -18.065 -26.437 0.562 251 2HB LEU 35 1HB LEU 35 -17.654 -27.129 -1.007 252 HG LEU 35 HG LEU 35 -15.921 -25.266 0.643 253 1HD1 LEU 35 1HD1 LEU 35 -16.063 -28.206 0.224 254 2HD1 LEU 35 3HD1 LEU 35 -14.451 -27.492 0.223 255 3HD1 LEU 35 2HD1 LEU 35 -15.502 -27.296 1.626 256 1HD2 LEU 35 1HD2 LEU 35 -15.763 -26.266 -2.177 257 2HD2 LEU 35 3HD2 LEU 35 -15.326 -24.686 -1.527 258 3HD2 LEU 35 2HD2 LEU 35 -14.267 -26.071 -1.265 259 H LYS 36 H LYS 36 -20.591 -25.341 -0.627 260 HA LYS 36 HA LYS 36 -21.423 -26.975 -2.715 261 1HB LYS 36 2HB LYS 36 -22.687 -25.127 -0.879 262 2HB LYS 36 1HB LYS 36 -23.468 -25.050 -2.459 263 1HG LYS 36 2HG LYS 36 -23.775 -27.476 -2.460 264 2HG LYS 36 1HG LYS 36 -22.911 -27.610 -0.929 265 1HD LYS 36 2HD LYS 36 -24.999 -25.655 -0.653 266 2HD LYS 36 1HD LYS 36 -25.686 -27.134 -1.321 267 1HE LYS 36 2HE LYS 36 -24.107 -26.818 1.242 268 2HE LYS 36 1HE LYS 36 -25.768 -27.383 1.060 269 1HZ LYS 36 2HZ LYS 36 -24.419 -29.089 -0.513 270 2HZ LYS 36 1HZ LYS 36 -23.286 -28.816 0.723 271 3HZ LYS 36 3HZ LYS 36 -24.832 -29.398 1.106 272 H THR 37 H THR 37 -20.428 -23.641 -2.886 273 HA THR 37 HA THR 37 -21.665 -22.768 -5.248 274 HB THR 37 HB THR 37 -20.061 -21.463 -3.756 275 HG1 THR 37 HG1 THR 37 -19.928 -20.124 -5.365 276 1HG2 THR 37 3HG2 THR 37 -18.058 -22.989 -5.439 277 2HG2 THR 37 2HG2 THR 37 -17.663 -21.576 -4.460 278 3HG2 THR 37 1HG2 THR 37 -18.228 -23.055 -3.685 279 H LEU 38 H LEU 38 -19.313 -25.260 -4.797 280 HA LEU 38 HA LEU 38 -18.223 -25.309 -7.459 281 1HB LEU 38 2HB LEU 38 -18.529 -27.482 -5.368 282 2HB LEU 38 1HB LEU 38 -17.646 -27.697 -6.879 283 HG LEU 38 HG LEU 38 -17.028 -25.743 -4.648 284 1HD1 LEU 38 3HD1 LEU 38 -16.273 -28.242 -4.671 285 2HD1 LEU 38 2HD1 LEU 38 -15.161 -27.723 -5.937 286 3HD1 LEU 38 1HD1 LEU 38 -15.069 -26.999 -4.331 287 1HD2 LEU 38 3HD2 LEU 38 -16.119 -25.853 -7.516 288 2HD2 LEU 38 2HD2 LEU 38 -16.585 -24.450 -6.554 289 3HD2 LEU 38 1HD2 LEU 38 -15.034 -25.241 -6.267 290 H GLY 39 H GLY 39 -21.172 -26.555 -6.029 291 1HA GLY 39 1HA GLY 39 -22.417 -26.907 -8.596 292 2HA GLY 39 2HA GLY 39 -23.081 -27.456 -7.058 293 H SER 40 H SER 40 -20.175 -28.819 -6.953 294 HA SER 40 HA SER 40 -21.194 -31.392 -7.955 295 1HB SER 40 2HB SER 40 -19.158 -29.788 -9.363 296 2HB SER 40 1HB SER 40 -18.683 -31.460 -9.058 297 HG SER 40 HG SER 40 -21.204 -30.771 -10.124 298 H ILE 41 H ILE 41 -20.899 -31.091 -5.381 299 HA ILE 41 HA ILE 41 -18.467 -32.636 -4.747 300 HB ILE 41 HB ILE 41 -18.006 -30.098 -4.497 301 1HG1 ILE 41 2HG1 ILE 41 -17.625 -31.649 -1.943 302 2HG1 ILE 41 1HG1 ILE 41 -16.792 -32.132 -3.421 303 1HG2 ILE 41 3HG2 ILE 41 -20.356 -30.050 -3.166 304 2HG2 ILE 41 2HG2 ILE 41 -19.262 -30.310 -1.808 305 3HG2 ILE 41 1HG2 ILE 41 -19.058 -28.898 -2.846 306 1HD1 ILE 41 2HD1 ILE 41 -16.673 -29.242 -2.770 307 2HD1 ILE 41 1HD1 ILE 41 -15.795 -30.306 -1.671 308 3HD1 ILE 41 3HD1 ILE 41 -15.413 -30.308 -3.392 309 H THR 42 H THR 42 -18.568 -33.223 -2.287 310 HA THR 42 HA THR 42 -21.432 -33.641 -1.525 311 HB THR 42 HB THR 42 -21.098 -35.877 -1.339 312 HG1 THR 42 HG1 THR 42 -18.998 -36.566 -0.308 313 1HG2 THR 42 2HG2 THR 42 -19.788 -35.386 -3.434 314 2HG2 THR 42 1HG2 THR 42 -18.325 -35.377 -2.447 315 3HG2 THR 42 3HG2 THR 42 -19.280 -36.853 -2.598 316 HA PRO 43 HA PRO 43 -20.411 -31.948 2.435 317 1HB PRO 43 2HB PRO 43 -21.738 -33.568 4.149 318 2HB PRO 43 1HB PRO 43 -22.559 -32.389 3.122 319 1HG PRO 43 2HG PRO 43 -22.204 -35.336 2.717 320 2HG PRO 43 1HG PRO 43 -23.648 -34.348 2.472 321 1HD PRO 43 1HD PRO 43 -22.079 -35.115 0.412 322 2HD PRO 43 2HD PRO 43 -22.917 -33.562 0.418 323 H ASP 44 H ASP 44 -20.025 -35.433 2.021 324 HA ASP 44 HA ASP 44 -18.325 -35.845 4.300 325 1HB ASP 44 2HB ASP 44 -18.657 -37.398 1.721 326 2HB ASP 44 1HB ASP 44 -17.679 -37.955 3.079 327 H GLU 45 H GLU 45 -17.723 -34.520 1.122 328 HA GLU 45 HA GLU 45 -14.845 -35.022 1.225 329 1HB GLU 45 2HB GLU 45 -16.539 -33.224 -0.538 330 2HB GLU 45 1HB GLU 45 -14.805 -33.468 -0.745 331 1HG GLU 45 2HG GLU 45 -16.859 -35.700 -0.776 332 2HG GLU 45 1HG GLU 45 -16.190 -34.944 -2.223 333 H VAL 46 H VAL 46 -17.082 -32.400 1.946 334 HA VAL 46 HA VAL 46 -15.057 -30.421 2.479 335 HB VAL 46 HB VAL 46 -17.938 -30.677 3.372 336 1HG1 VAL 46 2HG1 VAL 46 -16.490 -29.341 4.964 337 2HG1 VAL 46 1HG1 VAL 46 -16.139 -28.251 3.623 338 3HG1 VAL 46 3HG1 VAL 46 -17.792 -28.420 4.212 339 1HG2 VAL 46 2HG2 VAL 46 -16.625 -29.822 0.968 340 2HG2 VAL 46 1HG2 VAL 46 -18.353 -29.859 1.317 341 3HG2 VAL 46 3HG2 VAL 46 -17.405 -28.426 1.713 342 H LYS 47 H LYS 47 -16.704 -32.852 4.421 343 HA LYS 47 HA LYS 47 -15.712 -31.989 6.975 344 1HB LYS 47 2HB LYS 47 -17.564 -33.581 6.825 345 2HB LYS 47 1HB LYS 47 -16.522 -34.751 6.016 346 1HG LYS 47 2HG LYS 47 -15.063 -34.804 8.030 347 2HG LYS 47 1HG LYS 47 -16.166 -33.689 8.837 348 1HD LYS 47 2HD LYS 47 -16.814 -35.868 9.568 349 2HD LYS 47 1HD LYS 47 -18.009 -35.403 8.357 350 1HE LYS 47 2HE LYS 47 -17.423 -37.124 7.022 351 2HE LYS 47 1HE LYS 47 -15.718 -36.679 7.111 352 1HZ LYS 47 3HZ LYS 47 -16.920 -37.934 9.459 353 2HZ LYS 47 2HZ LYS 47 -16.616 -38.924 8.112 354 3HZ LYS 47 1HZ LYS 47 -15.344 -38.070 8.846 355 H HIS 48 H HIS 48 -14.457 -34.198 4.512 356 HA HIS 48 HA HIS 48 -12.179 -35.091 6.013 357 1HB HIS 48 2HB HIS 48 -12.949 -36.261 3.989 358 2HB HIS 48 1HB HIS 48 -12.554 -34.847 3.010 359 HD1 HIS 48 HD1 HIS 48 -10.563 -35.649 1.689 360 HD2 HIS 48 HD2 HIS 48 -10.179 -36.472 5.756 361 HE1 HIS 48 HE1 HIS 48 -8.214 -36.536 2.020 362 H MET 49 H MET 49 -12.643 -32.406 3.704 363 HA MET 49 HA MET 49 -9.954 -31.498 3.669 364 1HB MET 49 2HB MET 49 -12.604 -30.099 3.302 365 2HB MET 49 1HB MET 49 -11.074 -29.237 3.175 366 1HG MET 49 2HG MET 49 -10.350 -30.963 1.473 367 2HG MET 49 1HG MET 49 -12.002 -31.581 1.499 368 1HE MET 49 1HE MET 49 -13.875 -30.709 0.817 369 2HE MET 49 3HE MET 49 -14.059 -29.059 1.429 370 3HE MET 49 2HE MET 49 -14.152 -29.376 -0.301 371 H MET 50 H MET 50 -12.660 -30.705 5.819 372 HA MET 50 HA MET 50 -11.296 -28.755 7.388 373 1HB MET 50 2HB MET 50 -13.673 -30.527 7.787 374 2HB MET 50 1HB MET 50 -12.994 -29.713 9.194 375 1HG MET 50 2HG MET 50 -13.082 -27.561 7.799 376 2HG MET 50 1HG MET 50 -14.094 -28.463 6.671 377 1HE MET 50 3HE MET 50 -13.455 -26.858 9.819 378 2HE MET 50 2HE MET 50 -14.964 -26.742 10.721 379 3HE MET 50 1HE MET 50 -13.997 -28.213 10.819 380 H ALA 51 H ALA 51 -11.681 -32.260 7.841 381 HA ALA 51 HA ALA 51 -10.196 -32.487 10.251 382 1HB ALA 51 2HB ALA 51 -11.434 -34.399 9.506 383 2HB ALA 51 3HB ALA 51 -9.734 -34.858 9.418 384 3HB ALA 51 1HB ALA 51 -10.604 -34.413 7.951 385 H GLU 52 H GLU 52 -9.183 -31.889 6.994 386 HA GLU 52 HA GLU 52 -6.357 -32.542 7.623 387 1HB GLU 52 2HB GLU 52 -7.859 -31.819 5.117 388 2HB GLU 52 1HB GLU 52 -6.106 -31.647 5.170 389 1HG GLU 52 2HG GLU 52 -6.091 -34.072 6.072 390 2HG GLU 52 1HG GLU 52 -7.756 -34.155 5.497 391 H ILE 53 H ILE 53 -8.466 -29.799 6.969 392 HA ILE 53 HA ILE 53 -6.287 -27.851 7.085 393 HB ILE 53 HB ILE 53 -9.299 -27.525 7.146 394 1HG1 ILE 53 2HG1 ILE 53 -7.301 -27.171 4.899 395 2HG1 ILE 53 1HG1 ILE 53 -8.371 -28.558 5.082 396 1HG2 ILE 53 1HG2 ILE 53 -7.874 -25.651 8.129 397 2HG2 ILE 53 3HG2 ILE 53 -7.206 -25.439 6.511 398 3HG2 ILE 53 2HG2 ILE 53 -8.930 -25.194 6.793 399 1HD1 ILE 53 1HD1 ILE 53 -9.522 -25.783 5.073 400 2HD1 ILE 53 3HD1 ILE 53 -9.109 -26.564 3.545 401 3HD1 ILE 53 2HD1 ILE 53 -10.288 -27.308 4.627 402 H ASP 54 H ASP 54 -8.650 -29.238 9.278 403 HA ASP 54 HA ASP 54 -8.496 -27.323 11.379 404 1HB ASP 54 2HB ASP 54 -10.049 -29.418 10.980 405 2HB ASP 54 1HB ASP 54 -8.809 -30.262 11.897 406 H THR 55 H THR 55 -6.419 -26.704 11.964 407 HA THR 55 HA THR 55 -4.211 -28.553 12.159 408 HB THR 55 HB THR 55 -3.018 -26.657 13.210 409 HG1 THR 55 HG1 THR 55 -4.542 -25.686 14.422 410 1HG2 THR 55 1HG2 THR 55 -4.703 -26.159 10.759 411 2HG2 THR 55 3HG2 THR 55 -3.528 -24.971 11.323 412 3HG2 THR 55 2HG2 THR 55 -2.993 -26.582 10.847 413 H ASP 56 H ASP 56 -6.219 -26.951 14.640 414 HA ASP 56 HA ASP 56 -4.915 -28.555 16.735 415 1HB ASP 56 2HB ASP 56 -6.090 -27.231 18.299 416 2HB ASP 56 1HB ASP 56 -5.720 -26.117 16.985 417 H GLY 57 H GLY 57 -7.968 -28.498 14.984 418 1HA GLY 57 1HA GLY 57 -8.510 -31.211 16.058 419 2HA GLY 57 2HA GLY 57 -9.246 -30.519 14.617 420 H ASP 58 H ASP 58 -9.875 -27.959 16.135 421 HA ASP 58 HA ASP 58 -11.725 -28.848 18.232 422 1HB ASP 58 2HB ASP 58 -12.268 -26.529 18.531 423 2HB ASP 58 1HB ASP 58 -10.530 -26.609 18.260 424 H GLY 59 H GLY 59 -11.831 -28.953 14.920 425 1HA GLY 59 1HA GLY 59 -14.796 -29.090 14.981 426 2HA GLY 59 2HA GLY 59 -13.763 -29.814 13.750 427 H PHE 60 H PHE 60 -12.614 -26.740 14.376 428 HA PHE 60 HA PHE 60 -14.094 -25.695 12.008 429 1HB PHE 60 2HB PHE 60 -13.407 -24.011 14.423 430 2HB PHE 60 1HB PHE 60 -14.388 -23.548 13.033 431 HD1 PHE 60 HD1 PHE 60 -16.620 -24.575 12.671 432 HD2 PHE 60 HD2 PHE 60 -14.316 -25.329 16.214 433 HE1 PHE 60 HE1 PHE 60 -18.644 -25.448 13.802 434 HE2 PHE 60 HE2 PHE 60 -16.342 -26.197 17.347 435 HZ PHE 60 HZ PHE 60 -18.509 -26.259 16.141 436 H ILE 61 H ILE 61 -12.980 -24.039 10.816 437 HA ILE 61 HA ILE 61 -10.031 -24.166 11.164 438 HB ILE 61 HB ILE 61 -11.600 -23.326 8.715 439 1HG1 ILE 61 2HG1 ILE 61 -12.127 -25.653 9.201 440 2HG1 ILE 61 1HG1 ILE 61 -11.000 -25.598 7.846 441 1HG2 ILE 61 1HG2 ILE 61 -9.217 -22.548 8.968 442 2HG2 ILE 61 3HG2 ILE 61 -8.726 -24.241 9.016 443 3HG2 ILE 61 2HG2 ILE 61 -9.485 -23.583 7.566 444 1HD1 ILE 61 1HD1 ILE 61 -9.123 -25.952 9.489 445 2HD1 ILE 61 3HD1 ILE 61 -10.337 -26.196 10.745 446 3HD1 ILE 61 2HD1 ILE 61 -10.241 -27.314 9.382 447 H SER 62 H SER 62 -9.030 -22.278 11.755 448 HA SER 62 HA SER 62 -10.690 -19.829 11.914 449 1HB SER 62 2HB SER 62 -7.930 -20.403 13.043 450 2HB SER 62 1HB SER 62 -8.902 -18.967 13.366 451 HG SER 62 HG SER 62 -8.935 -21.116 14.749 452 H PHE 63 H PHE 63 -9.428 -17.747 11.352 453 HA PHE 63 HA PHE 63 -8.710 -17.786 8.618 454 1HB PHE 63 2HB PHE 63 -9.323 -15.708 9.828 455 2HB PHE 63 1HB PHE 63 -7.801 -15.794 10.720 456 HD1 PHE 63 HD1 PHE 63 -8.804 -16.303 7.145 457 HD2 PHE 63 HD2 PHE 63 -6.218 -14.281 9.911 458 HE1 PHE 63 HE1 PHE 63 -7.639 -15.209 5.253 459 HE2 PHE 63 HE2 PHE 63 -5.047 -13.190 8.019 460 HZ PHE 63 HZ PHE 63 -5.762 -13.651 5.686 461 H GLN 64 H GLN 64 -6.675 -17.872 11.521 462 HA GLN 64 HA GLN 64 -4.154 -17.867 10.205 463 1HB GLN 64 2HB GLN 64 -4.570 -17.599 12.683 464 2HB GLN 64 1HB GLN 64 -4.858 -19.337 12.760 465 1HG GLN 64 2HG GLN 64 -2.535 -18.916 13.345 466 2HG GLN 64 1HG GLN 64 -2.580 -19.697 11.765 467 1HE2 GLN 64 1HE2 GLN 64 -0.845 -18.745 10.643 468 2HE2 GLN 64 2HE2 GLN 64 -0.617 -17.071 10.476 469 H GLU 65 H GLU 65 -6.208 -20.601 11.265 470 HA GLU 65 HA GLU 65 -4.526 -22.682 10.307 471 1HB GLU 65 2HB GLU 65 -7.466 -22.434 10.850 472 2HB GLU 65 1HB GLU 65 -6.851 -23.884 10.067 473 1HG GLU 65 2HG GLU 65 -5.300 -24.261 11.930 474 2HG GLU 65 1HG GLU 65 -5.846 -22.775 12.705 475 H PHE 66 H PHE 66 -7.214 -20.962 8.733 476 HA PHE 66 HA PHE 66 -7.080 -22.366 6.250 477 1HB PHE 66 2HB PHE 66 -8.974 -20.895 6.928 478 2HB PHE 66 1HB PHE 66 -7.923 -19.492 6.735 479 HD1 PHE 66 HD1 PHE 66 -7.102 -18.822 4.506 480 HD2 PHE 66 HD2 PHE 66 -9.826 -22.107 5.007 481 HE1 PHE 66 HE1 PHE 66 -7.608 -18.774 2.079 482 HE2 PHE 66 HE2 PHE 66 -10.331 -22.058 2.580 483 HZ PHE 66 HZ PHE 66 -9.222 -20.392 1.116 484 H THR 67 H THR 67 -5.358 -19.543 7.486 485 HA THR 67 HA THR 67 -4.067 -18.870 4.996 486 HB THR 67 HB THR 67 -3.316 -18.300 7.879 487 HG1 THR 67 HG1 THR 67 -4.716 -16.782 7.627 488 1HG2 THR 67 1HG2 THR 67 -2.074 -17.427 5.269 489 2HG2 THR 67 3HG2 THR 67 -1.897 -16.481 6.747 490 3HG2 THR 67 2HG2 THR 67 -1.277 -18.129 6.677 491 H ASP 68 H ASP 68 -3.006 -20.733 7.855 492 HA ASP 68 HA ASP 68 -0.438 -21.441 6.881 493 1HB ASP 68 2HB ASP 68 -2.305 -23.044 8.656 494 2HB ASP 68 1HB ASP 68 -0.580 -23.347 8.461 495 H PHE 69 H PHE 69 -3.613 -22.911 6.339 496 HA PHE 69 HA PHE 69 -2.512 -25.123 4.793 497 1HB PHE 69 2HB PHE 69 -4.518 -25.799 5.694 498 2HB PHE 69 1HB PHE 69 -5.195 -24.174 5.667 499 HD1 PHE 69 HD1 PHE 69 -5.814 -23.181 3.387 500 HD2 PHE 69 HD2 PHE 69 -5.110 -27.363 4.039 501 HE1 PHE 69 HE1 PHE 69 -7.052 -23.716 1.299 502 HE2 PHE 69 HE2 PHE 69 -6.338 -27.900 1.957 503 HZ PHE 69 HZ PHE 69 -7.314 -26.077 0.584 504 H GLY 70 H GLY 70 -3.947 -21.960 4.157 505 1HA GLY 70 1HA GLY 70 -3.979 -20.672 2.193 506 2HA GLY 70 2HA GLY 70 -4.269 -22.190 1.341 507 H ARG 71 H ARG 71 -1.437 -21.542 3.332 508 HA ARG 71 HA ARG 71 0.327 -20.762 1.199 509 1HB ARG 71 2HB ARG 71 0.944 -22.126 3.842 510 2HB ARG 71 1HB ARG 71 2.143 -21.386 2.782 511 1HG ARG 71 2HG ARG 71 0.981 -19.209 3.009 512 2HG ARG 71 1HG ARG 71 -0.189 -19.956 4.097 513 1HD ARG 71 2HD ARG 71 2.801 -19.731 4.561 514 2HD ARG 71 1HD ARG 71 1.545 -18.825 5.405 515 HE ARG 71 HE ARG 71 1.014 -21.611 5.712 516 1HH1 ARG 71 1HH1 ARG 71 3.639 -19.501 6.356 517 2HH1 ARG 71 2HH1 ARG 71 3.911 -20.098 7.958 518 1HH2 ARG 71 1HH2 ARG 71 1.195 -22.252 7.904 519 2HH2 ARG 71 2HH2 ARG 71 2.527 -21.656 8.835 520 H ALA 72 H ALA 72 -0.750 -23.848 2.470 521 HA ALA 72 HA ALA 72 1.145 -25.370 0.814 522 1HB ALA 72 3HB ALA 72 0.751 -26.730 2.594 523 2HB ALA 72 1HB ALA 72 -0.714 -27.181 1.723 524 3HB ALA 72 2HB ALA 72 -0.779 -25.938 2.974 525 H ASN 73 H ASN 73 -1.672 -23.714 0.215 526 HA ASN 73 HA ASN 73 -2.116 -25.211 -2.279 527 1HB ASN 73 2HB ASN 73 -4.260 -24.823 -0.167 528 2HB ASN 73 1HB ASN 73 -4.599 -25.295 -1.830 529 1HD2 ASN 73 1HD2 ASN 73 -3.546 -26.451 1.273 530 2HD2 ASN 73 2HD2 ASN 73 -3.250 -28.055 0.808 531 H ARG 74 H ARG 74 -0.985 -22.734 -2.030 532 HA ARG 74 HA ARG 74 -2.733 -20.502 -1.990 533 1HB ARG 74 2HB ARG 74 -0.133 -20.969 -3.474 534 2HB ARG 74 1HB ARG 74 -0.958 -19.410 -3.447 535 1HG ARG 74 2HG ARG 74 -0.901 -19.536 -0.917 536 2HG ARG 74 1HG ARG 74 0.148 -20.944 -1.080 537 1HD ARG 74 2HD ARG 74 0.716 -18.178 -2.193 538 2HD ARG 74 1HD ARG 74 1.483 -18.893 -0.774 539 HE ARG 74 HE ARG 74 1.950 -20.725 -2.818 540 1HH1 ARG 74 1HH1 ARG 74 3.961 -18.873 -1.343 541 2HH1 ARG 74 2HH1 ARG 74 4.754 -18.144 -2.701 542 1HH2 ARG 74 1HH2 ARG 74 2.342 -19.141 -4.983 543 2HH2 ARG 74 2HH2 ARG 74 3.838 -18.297 -4.760 544 H GLY 75 H GLY 75 -1.637 -22.506 -4.709 545 1HA GLY 75 1HA GLY 75 -2.615 -22.878 -6.800 546 2HA GLY 75 2HA GLY 75 -3.043 -21.167 -6.769 547 H LEU 76 H LEU 76 -4.182 -23.158 -4.179 548 HA LEU 76 HA LEU 76 -6.726 -23.823 -5.465 549 1HB LEU 76 2HB LEU 76 -5.749 -24.046 -2.608 550 2HB LEU 76 1HB LEU 76 -7.347 -24.574 -3.134 551 HG LEU 76 HG LEU 76 -6.181 -26.006 -4.872 552 1HD1 LEU 76 1HD1 LEU 76 -3.844 -24.824 -3.452 553 2HD1 LEU 76 3HD1 LEU 76 -3.730 -26.521 -3.914 554 3HD1 LEU 76 2HD1 LEU 76 -4.013 -25.289 -5.143 555 1HD2 LEU 76 3HD2 LEU 76 -6.139 -26.383 -1.925 556 2HD2 LEU 76 2HD2 LEU 76 -6.897 -27.371 -3.176 557 3HD2 LEU 76 1HD2 LEU 76 -5.167 -27.514 -2.866 558 H LEU 77 H LEU 77 -5.616 -21.532 -2.992 559 HA LEU 77 HA LEU 77 -8.212 -20.367 -2.543 560 1HB LEU 77 2HB LEU 77 -5.622 -18.879 -2.149 561 2HB LEU 77 1HB LEU 77 -7.102 -18.785 -1.197 562 HG LEU 77 HG LEU 77 -5.085 -21.038 -1.273 563 1HD1 LEU 77 1HD1 LEU 77 -5.916 -18.918 0.623 564 2HD1 LEU 77 3HD1 LEU 77 -5.666 -20.514 1.332 565 3HD1 LEU 77 2HD1 LEU 77 -4.357 -19.727 0.449 566 1HD2 LEU 77 1HD2 LEU 77 -7.438 -21.907 -1.406 567 2HD2 LEU 77 3HD2 LEU 77 -6.611 -22.349 0.088 568 3HD2 LEU 77 2HD2 LEU 77 -7.794 -21.040 0.089 569 H LYS 78 H LYS 78 -5.807 -19.921 -5.021 570 HA LYS 78 HA LYS 78 -6.785 -17.286 -5.823 571 1HB LYS 78 2HB LYS 78 -4.922 -19.283 -7.133 572 2HB LYS 78 1HB LYS 78 -5.328 -17.724 -7.851 573 1HG LYS 78 2HG LYS 78 -4.595 -16.707 -5.592 574 2HG LYS 78 1HG LYS 78 -3.850 -18.274 -5.276 575 1HD LYS 78 2HD LYS 78 -3.273 -16.442 -7.624 576 2HD LYS 78 1HD LYS 78 -2.189 -16.795 -6.278 577 1HE LYS 78 2HE LYS 78 -2.071 -19.143 -6.941 578 2HE LYS 78 1HE LYS 78 -3.250 -18.868 -8.224 579 1HZ LYS 78 3HZ LYS 78 -0.825 -17.220 -8.160 580 2HZ LYS 78 2HZ LYS 78 -0.703 -18.819 -8.721 581 3HZ LYS 78 1HZ LYS 78 -1.752 -17.724 -9.488 582 H ASP 79 H ASP 79 -7.525 -20.617 -6.575 583 HA ASP 79 HA ASP 79 -9.085 -19.861 -8.965 584 1HB ASP 79 2HB ASP 79 -7.810 -21.984 -8.954 585 2HB ASP 79 1HB ASP 79 -8.769 -22.541 -7.583 586 H VAL 80 H VAL 80 -9.634 -21.048 -5.673 587 HA VAL 80 HA VAL 80 -12.494 -21.251 -5.915 588 HB VAL 80 HB VAL 80 -10.899 -22.216 -4.100 589 1HG1 VAL 80 3HG1 VAL 80 -9.946 -20.017 -3.449 590 2HG1 VAL 80 2HG1 VAL 80 -11.538 -19.517 -2.880 591 3HG1 VAL 80 1HG1 VAL 80 -10.694 -20.846 -2.084 592 1HG2 VAL 80 1HG2 VAL 80 -13.651 -21.085 -3.743 593 2HG2 VAL 80 3HG2 VAL 80 -13.139 -22.772 -3.807 594 3HG2 VAL 80 2HG2 VAL 80 -12.845 -21.815 -2.355 595 H ALA 81 H ALA 81 -10.335 -18.714 -4.740 596 HA ALA 81 HA ALA 81 -12.204 -16.861 -3.784 597 1HB ALA 81 1HB ALA 81 -9.693 -16.616 -3.745 598 2HB ALA 81 3HB ALA 81 -9.776 -16.137 -5.440 599 3HB ALA 81 2HB ALA 81 -10.557 -15.149 -4.206 600 H LYS 82 H LYS 82 -11.279 -17.515 -7.142 601 HA LYS 82 HA LYS 82 -12.728 -15.322 -8.293 602 1HB LYS 82 2HB LYS 82 -11.981 -18.015 -9.475 603 2HB LYS 82 1HB LYS 82 -12.581 -16.639 -10.401 604 1HG LYS 82 2HG LYS 82 -10.653 -15.288 -9.517 605 2HG LYS 82 1HG LYS 82 -10.024 -16.761 -8.777 606 1HD LYS 82 2HD LYS 82 -10.105 -17.818 -11.090 607 2HD LYS 82 1HD LYS 82 -10.432 -16.205 -11.726 608 1HE LYS 82 2HE LYS 82 -8.332 -15.411 -10.584 609 2HE LYS 82 1HE LYS 82 -7.986 -17.089 -10.168 610 1HZ LYS 82 3HZ LYS 82 -8.641 -16.775 -12.929 611 2HZ LYS 82 2HZ LYS 82 -7.300 -15.830 -12.489 612 3HZ LYS 82 1HZ LYS 82 -7.286 -17.508 -12.220 613 H ILE 83 H ILE 83 -13.693 -18.476 -7.144 614 HA ILE 83 HA ILE 83 -16.160 -18.738 -8.536 615 HB ILE 83 HB ILE 83 -15.580 -19.620 -5.698 616 1HG1 ILE 83 2HG1 ILE 83 -14.847 -20.825 -8.373 617 2HG1 ILE 83 1HG1 ILE 83 -13.780 -20.457 -7.020 618 1HG2 ILE 83 2HG2 ILE 83 -17.491 -20.578 -7.847 619 2HG2 ILE 83 1HG2 ILE 83 -17.176 -21.454 -6.350 620 3HG2 ILE 83 3HG2 ILE 83 -17.915 -19.854 -6.295 621 1HD1 ILE 83 3HD1 ILE 83 -16.001 -22.524 -6.960 622 2HD1 ILE 83 2HD1 ILE 83 -14.291 -22.890 -7.183 623 3HD1 ILE 83 1HD1 ILE 83 -14.852 -22.191 -5.663 624 H PHE 84 H PHE 84 -15.378 -17.157 -5.459 625 HA PHE 84 HA PHE 84 -18.148 -16.144 -5.241 626 1HB PHE 84 2HB PHE 84 -15.721 -15.830 -3.452 627 2HB PHE 84 1HB PHE 84 -17.305 -15.141 -3.100 628 HD1 PHE 84 HD1 PHE 84 -15.428 -18.304 -3.572 629 HD2 PHE 84 HD2 PHE 84 -19.127 -16.507 -2.329 630 HE1 PHE 84 HE1 PHE 84 -16.159 -20.472 -2.614 631 HE2 PHE 84 HE2 PHE 84 -19.857 -18.675 -1.371 632 HZ PHE 84 HZ PHE 84 -18.374 -20.656 -1.514 No H/Q in entry = 632 Start of MODEL 11 1 H1 ALA 1 2H ALA 1 11.722 -13.533 -0.890 2 H2 ALA 1 1H ALA 1 12.524 -12.679 0.341 3 H3 ALA 1 3H ALA 1 12.381 -14.366 0.436 4 HA ALA 1 HA ALA 1 10.388 -14.263 1.378 5 1HB ALA 1 1HB ALA 1 11.529 -11.531 1.581 6 2HB ALA 1 2HB ALA 1 10.983 -12.621 2.856 7 3HB ALA 1 3HB ALA 1 9.808 -11.672 1.945 8 H ASP 2 H ASP 2 9.216 -14.930 -0.553 9 HA ASP 2 HA ASP 2 8.035 -12.836 -2.247 10 1HB ASP 2 2HB ASP 2 7.630 -15.842 -2.179 11 2HB ASP 2 1HB ASP 2 6.931 -14.760 -3.384 12 H ASP 3 H ASP 3 7.392 -13.682 0.799 13 HA ASP 3 HA ASP 3 4.462 -13.959 0.545 14 1HB ASP 3 2HB ASP 3 5.806 -15.225 2.276 15 2HB ASP 3 1HB ASP 3 6.112 -13.681 3.071 16 H HIS 4 H HIS 4 3.278 -12.128 0.284 17 HA HIS 4 HA HIS 4 4.260 -9.628 1.609 18 1HB HIS 4 2HB HIS 4 3.813 -10.073 -1.098 19 2HB HIS 4 1HB HIS 4 2.321 -9.297 -0.569 20 HD1 HIS 4 HD1 HIS 4 2.403 -6.817 -0.526 21 HD2 HIS 4 HD2 HIS 4 6.206 -8.471 -0.111 22 HE1 HIS 4 HE1 HIS 4 4.021 -4.874 -0.449 23 HA PRO 5 HA PRO 5 0.466 -9.585 3.939 24 1HB PRO 5 2HB PRO 5 -0.072 -6.928 4.015 25 2HB PRO 5 1HB PRO 5 1.187 -7.683 4.997 26 1HG PRO 5 2HG PRO 5 1.437 -6.231 2.380 27 2HG PRO 5 1HG PRO 5 2.423 -6.062 3.838 28 1HD PRO 5 1HD PRO 5 3.286 -7.525 1.775 29 2HD PRO 5 2HD PRO 5 3.585 -8.048 3.433 30 H GLN 6 H GLN 6 0.723 -8.190 0.793 31 HA GLN 6 HA GLN 6 -1.960 -7.446 0.263 32 1HB GLN 6 2HB GLN 6 0.412 -8.258 -1.337 33 2HB GLN 6 1HB GLN 6 -1.155 -8.408 -2.140 34 1HG GLN 6 2HG GLN 6 -1.496 -6.145 -2.190 35 2HG GLN 6 1HG GLN 6 -0.711 -5.889 -0.632 36 1HE2 GLN 6 1HE2 GLN 6 1.291 -4.871 -0.779 37 2HE2 GLN 6 2HE2 GLN 6 2.308 -4.904 -2.138 38 H ASP 7 H ASP 7 -0.326 -10.581 0.026 39 HA ASP 7 HA ASP 7 -2.469 -12.061 -1.104 40 1HB ASP 7 2HB ASP 7 -0.266 -12.896 0.801 41 2HB ASP 7 1HB ASP 7 -1.363 -14.036 0.022 42 H LYS 8 H LYS 8 -1.671 -11.373 2.288 43 HA LYS 8 HA LYS 8 -3.627 -12.911 3.572 44 1HB LYS 8 2HB LYS 8 -2.299 -10.304 4.181 45 2HB LYS 8 1HB LYS 8 -3.691 -10.770 5.159 46 1HG LYS 8 2HG LYS 8 -2.421 -13.098 5.252 47 2HG LYS 8 1HG LYS 8 -1.013 -12.090 4.917 48 1HD LYS 8 2HD LYS 8 -1.680 -10.628 6.849 49 2HD LYS 8 1HD LYS 8 -2.957 -11.784 7.226 50 1HE LYS 8 2HE LYS 8 -1.483 -13.087 8.320 51 2HE LYS 8 1HE LYS 8 -0.490 -13.212 6.867 52 1HZ LYS 8 3HZ LYS 8 -0.370 -10.741 8.438 53 2HZ LYS 8 2HZ LYS 8 0.434 -12.114 9.034 54 3HZ LYS 8 1HZ LYS 8 0.833 -11.488 7.506 55 H ALA 9 H ALA 9 -3.973 -9.808 1.922 56 HA ALA 9 HA ALA 9 -6.637 -9.221 2.726 57 1HB ALA 9 3HB ALA 9 -4.763 -8.119 0.941 58 2HB ALA 9 1HB ALA 9 -6.344 -7.455 1.350 59 3HB ALA 9 2HB ALA 9 -6.167 -8.513 -0.050 60 H GLU 10 H GLU 10 -5.404 -11.077 -0.039 61 HA GLU 10 HA GLU 10 -8.000 -11.773 -1.063 62 1HB GLU 10 2HB GLU 10 -5.400 -13.307 -1.348 63 2HB GLU 10 1HB GLU 10 -6.819 -13.456 -2.384 64 1HG GLU 10 2HG GLU 10 -5.193 -10.921 -2.012 65 2HG GLU 10 1HG GLU 10 -5.081 -12.001 -3.402 66 H ARG 11 H ARG 11 -5.738 -13.424 1.118 67 HA ARG 11 HA ARG 11 -7.336 -15.774 1.497 68 1HB ARG 11 2HB ARG 11 -5.232 -14.445 3.219 69 2HB ARG 11 1HB ARG 11 -5.981 -15.983 3.636 70 1HG ARG 11 2HG ARG 11 -5.290 -16.748 1.267 71 2HG ARG 11 1HG ARG 11 -4.245 -15.329 1.253 72 1HD ARG 11 2HD ARG 11 -3.496 -16.269 3.616 73 2HD ARG 11 1HD ARG 11 -4.080 -17.793 2.948 74 HE ARG 11 HE ARG 11 -1.859 -16.171 1.792 75 1HH1 ARG 11 1HH1 ARG 11 -3.289 -17.829 -0.236 76 2HH1 ARG 11 2HH1 ARG 11 -2.409 -19.320 -0.181 77 1HH2 ARG 11 1HH2 ARG 11 -0.897 -18.625 2.861 78 2HH2 ARG 11 2HH2 ARG 11 -1.055 -19.771 1.571 79 H GLU 12 H GLU 12 -7.193 -12.671 3.184 80 HA GLU 12 HA GLU 12 -9.013 -13.375 5.292 81 1HB GLU 12 2HB GLU 12 -7.832 -10.878 4.213 82 2HB GLU 12 1HB GLU 12 -9.370 -10.692 5.056 83 1HG GLU 12 2HG GLU 12 -8.391 -12.030 6.960 84 2HG GLU 12 1HG GLU 12 -6.835 -11.953 6.134 85 H ARG 13 H ARG 13 -9.484 -11.874 2.109 86 HA ARG 13 HA ARG 13 -12.312 -11.459 2.425 87 1HB ARG 13 2HB ARG 13 -10.650 -11.822 -0.087 88 2HB ARG 13 1HB ARG 13 -12.317 -11.246 -0.055 89 1HG ARG 13 2HG ARG 13 -11.692 -9.286 1.199 90 2HG ARG 13 1HG ARG 13 -10.064 -9.906 1.463 91 1HD ARG 13 2HD ARG 13 -9.671 -8.489 -0.330 92 2HD ARG 13 1HD ARG 13 -10.030 -9.985 -1.192 93 HE ARG 13 HE ARG 13 -12.494 -8.672 -0.833 94 1HH1 ARG 13 1HH1 ARG 13 -9.977 -6.712 -1.451 95 2HH1 ARG 13 2HH1 ARG 13 -10.374 -6.339 -3.095 96 1HH2 ARG 13 1HH2 ARG 13 -12.793 -8.809 -3.348 97 2HH2 ARG 13 2HH2 ARG 13 -11.970 -7.525 -4.168 98 H ILE 14 H ILE 14 -10.376 -14.115 1.097 99 HA ILE 14 HA ILE 14 -12.656 -15.684 0.260 100 HB ILE 14 HB ILE 14 -9.861 -16.627 0.968 101 1HG1 ILE 14 2HG1 ILE 14 -10.835 -16.049 -1.814 102 2HG1 ILE 14 1HG1 ILE 14 -10.224 -14.731 -0.815 103 1HG2 ILE 14 1HG2 ILE 14 -12.197 -17.820 -0.519 104 2HG2 ILE 14 3HG2 ILE 14 -10.547 -18.351 -0.848 105 3HG2 ILE 14 2HG2 ILE 14 -11.230 -18.539 0.767 106 1HD1 ILE 14 1HD1 ILE 14 -8.691 -17.302 -1.278 107 2HD1 ILE 14 3HD1 ILE 14 -8.480 -15.863 -2.276 108 3HD1 ILE 14 2HD1 ILE 14 -8.089 -15.809 -0.556 109 H PHE 15 H PHE 15 -10.577 -15.691 3.157 110 HA PHE 15 HA PHE 15 -11.953 -17.868 4.440 111 1HB PHE 15 2HB PHE 15 -9.695 -17.092 5.136 112 2HB PHE 15 1HB PHE 15 -10.409 -15.589 5.724 113 HD1 PHE 15 HD1 PHE 15 -11.975 -15.619 7.657 114 HD2 PHE 15 HD2 PHE 15 -9.971 -19.174 6.321 115 HE1 PHE 15 HE1 PHE 15 -12.564 -16.752 9.785 116 HE2 PHE 15 HE2 PHE 15 -10.555 -20.306 8.448 117 HZ PHE 15 HZ PHE 15 -11.855 -19.098 10.181 118 H LYS 16 H LYS 16 -12.432 -14.375 4.375 119 HA LYS 16 HA LYS 16 -14.388 -14.247 6.465 120 1HB LYS 16 2HB LYS 16 -13.668 -12.500 4.130 121 2HB LYS 16 1HB LYS 16 -15.137 -12.162 5.044 122 1HG LYS 16 2HG LYS 16 -13.787 -12.122 7.138 123 2HG LYS 16 1HG LYS 16 -12.329 -12.365 6.175 124 1HD LYS 16 2HD LYS 16 -12.965 -10.274 4.882 125 2HD LYS 16 1HD LYS 16 -14.217 -9.998 6.093 126 1HE LYS 16 2HE LYS 16 -11.577 -10.586 7.245 127 2HE LYS 16 1HE LYS 16 -11.611 -9.109 6.282 128 1HZ LYS 16 3HZ LYS 16 -13.933 -9.236 7.860 129 2HZ LYS 16 2HZ LYS 16 -12.586 -9.491 8.863 130 3HZ LYS 16 1HZ LYS 16 -12.685 -8.090 7.907 131 H ARG 17 H ARG 17 -14.574 -15.090 3.053 132 HA ARG 17 HA ARG 17 -17.468 -14.980 2.907 133 1HB ARG 17 2HB ARG 17 -15.376 -16.356 1.203 134 2HB ARG 17 1HB ARG 17 -17.100 -16.392 0.832 135 1HG ARG 17 2HG ARG 17 -17.065 -13.859 0.904 136 2HG ARG 17 1HG ARG 17 -15.307 -13.957 0.998 137 1HD ARG 17 2HD ARG 17 -15.525 -15.489 -1.107 138 2HD ARG 17 1HD ARG 17 -17.122 -14.757 -1.264 139 HE ARG 17 HE ARG 17 -15.536 -12.555 -0.998 140 1HH1 ARG 17 1HH1 ARG 17 -13.532 -14.778 -2.046 141 2HH1 ARG 17 2HH1 ARG 17 -13.454 -14.307 -3.710 142 1HH2 ARG 17 1HH2 ARG 17 -16.210 -12.212 -3.523 143 2HH2 ARG 17 2HH2 ARG 17 -14.969 -12.855 -4.547 144 H PHE 18 H PHE 18 -15.081 -17.466 3.677 145 HA PHE 18 HA PHE 18 -16.948 -19.660 3.736 146 1HB PHE 18 2HB PHE 18 -14.190 -19.204 4.849 147 2HB PHE 18 1HB PHE 18 -15.095 -20.656 5.275 148 HD1 PHE 18 HD1 PHE 18 -16.136 -22.005 3.296 149 HD2 PHE 18 HD2 PHE 18 -12.974 -19.132 2.846 150 HE1 PHE 18 HE1 PHE 18 -15.519 -23.025 1.121 151 HE2 PHE 18 HE2 PHE 18 -12.358 -20.152 0.671 152 HZ PHE 18 HZ PHE 18 -13.631 -22.098 -0.191 153 H ASP 19 H ASP 19 -15.643 -17.519 6.264 154 HA ASP 19 HA ASP 19 -17.057 -18.746 8.434 155 1HB ASP 19 2HB ASP 19 -15.136 -16.953 8.451 156 2HB ASP 19 1HB ASP 19 -16.466 -15.795 8.382 157 H ALA 20 H ALA 20 -19.254 -19.050 8.151 158 HA ALA 20 HA ALA 20 -20.958 -17.263 6.716 159 1HB ALA 20 2HB ALA 20 -21.440 -19.521 8.646 160 2HB ALA 20 3HB ALA 20 -21.752 -19.464 6.911 161 3HB ALA 20 1HB ALA 20 -22.784 -18.563 8.023 162 H ASN 21 H ASN 21 -20.622 -17.729 10.279 163 HA ASN 21 HA ASN 21 -22.294 -15.326 10.661 164 1HB ASN 21 2HB ASN 21 -22.188 -15.846 13.045 165 2HB ASN 21 1HB ASN 21 -22.622 -17.292 12.138 166 1HD2 ASN 21 1HD2 ASN 21 -21.369 -17.215 14.781 167 2HD2 ASN 21 2HD2 ASN 21 -19.872 -17.995 14.638 168 H GLY 22 H GLY 22 -18.935 -16.253 10.761 169 1HA GLY 22 1HA GLY 22 -18.230 -13.400 11.064 170 2HA GLY 22 2HA GLY 22 -17.125 -14.690 10.595 171 H ASP 23 H ASP 23 -17.814 -16.457 12.800 172 HA ASP 23 HA ASP 23 -17.130 -14.888 15.211 173 1HB ASP 23 2HB ASP 23 -17.413 -17.002 16.436 174 2HB ASP 23 1HB ASP 23 -18.815 -16.680 15.420 175 H GLY 24 H GLY 24 -15.401 -15.997 12.696 176 1HA GLY 24 1HA GLY 24 -12.959 -16.216 14.359 177 2HA GLY 24 2HA GLY 24 -12.996 -15.898 12.626 178 H LYS 25 H LYS 25 -15.134 -18.404 13.334 179 HA LYS 25 HA LYS 25 -13.064 -20.388 12.519 180 1HB LYS 25 2HB LYS 25 -14.035 -22.037 14.040 181 2HB LYS 25 1HB LYS 25 -13.559 -20.605 14.951 182 1HG LYS 25 2HG LYS 25 -15.808 -19.845 15.118 183 2HG LYS 25 1HG LYS 25 -16.361 -20.977 13.882 184 1HD LYS 25 2HD LYS 25 -15.529 -22.829 15.490 185 2HD LYS 25 1HD LYS 25 -15.507 -21.562 16.718 186 1HE LYS 25 2HE LYS 25 -17.664 -22.876 16.621 187 2HE LYS 25 1HE LYS 25 -17.866 -21.135 16.419 188 1HZ LYS 25 1HZ LYS 25 -17.400 -22.614 13.975 189 2HZ LYS 25 3HZ LYS 25 -18.868 -22.965 14.749 190 3HZ LYS 25 2HZ LYS 25 -18.507 -21.367 14.300 191 H ILE 26 H ILE 26 -13.753 -21.950 11.076 192 HA ILE 26 HA ILE 26 -16.511 -21.572 9.983 193 HB ILE 26 HB ILE 26 -14.228 -22.867 8.502 194 1HG1 ILE 26 2HG1 ILE 26 -14.895 -19.912 8.661 195 2HG1 ILE 26 1HG1 ILE 26 -13.410 -20.676 9.228 196 1HG2 ILE 26 1HG2 ILE 26 -16.549 -23.079 7.636 197 2HG2 ILE 26 3HG2 ILE 26 -16.681 -21.320 7.609 198 3HG2 ILE 26 2HG2 ILE 26 -15.527 -22.134 6.553 199 1HD1 ILE 26 3HD1 ILE 26 -13.918 -21.438 6.492 200 2HD1 ILE 26 2HD1 ILE 26 -13.943 -19.681 6.636 201 3HD1 ILE 26 1HD1 ILE 26 -12.525 -20.587 7.159 202 H SER 27 H SER 27 -17.849 -23.323 9.947 203 HA SER 27 HA SER 27 -16.750 -25.900 10.970 204 1HB SER 27 2HB SER 27 -18.835 -26.329 11.945 205 2HB SER 27 1HB SER 27 -18.704 -24.580 12.131 206 HG SER 27 HG SER 27 -20.618 -25.850 10.958 207 H ALA 28 H ALA 28 -17.892 -27.872 10.012 208 HA ALA 28 HA ALA 28 -17.560 -28.010 7.239 209 1HB ALA 28 3HB ALA 28 -19.751 -29.640 8.465 210 2HB ALA 28 2HB ALA 28 -18.474 -30.141 7.357 211 3HB ALA 28 1HB ALA 28 -18.108 -29.872 9.062 212 H ALA 29 H ALA 29 -20.549 -27.340 9.047 213 HA ALA 29 HA ALA 29 -22.277 -27.101 6.824 214 1HB ALA 29 2HB ALA 29 -23.371 -27.085 8.896 215 2HB ALA 29 1HB ALA 29 -22.260 -25.898 9.579 216 3HB ALA 29 3HB ALA 29 -23.477 -25.395 8.406 217 H GLU 30 H GLU 30 -20.091 -24.722 8.294 218 HA GLU 30 HA GLU 30 -20.983 -22.585 6.538 219 1HB GLU 30 2HB GLU 30 -18.501 -22.851 8.260 220 2HB GLU 30 1HB GLU 30 -18.979 -21.378 7.417 221 1HG GLU 30 2HG GLU 30 -21.129 -21.386 8.662 222 2HG GLU 30 1HG GLU 30 -20.602 -22.824 9.535 223 H LEU 31 H LEU 31 -17.967 -24.512 6.692 224 HA LEU 31 HA LEU 31 -16.942 -23.496 4.215 225 1HB LEU 31 2HB LEU 31 -15.504 -24.664 5.839 226 2HB LEU 31 1HB LEU 31 -16.410 -26.155 5.582 227 HG LEU 31 HG LEU 31 -15.803 -25.821 3.072 228 1HD1 LEU 31 1HD1 LEU 31 -14.742 -23.474 4.019 229 2HD1 LEU 31 3HD1 LEU 31 -13.317 -24.510 3.967 230 3HD1 LEU 31 2HD1 LEU 31 -14.267 -24.242 2.505 231 1HD2 LEU 31 1HD2 LEU 31 -14.793 -27.408 4.964 232 2HD2 LEU 31 3HD2 LEU 31 -14.061 -27.315 3.362 233 3HD2 LEU 31 2HD2 LEU 31 -13.365 -26.406 4.703 234 H GLY 32 H GLY 32 -18.977 -26.274 5.018 235 1HA GLY 32 1HA GLY 32 -20.227 -27.700 3.633 236 2HA GLY 32 2HA GLY 32 -19.031 -27.392 2.375 237 H GLU 33 H GLU 33 -21.223 -25.155 4.083 238 HA GLU 33 HA GLU 33 -23.108 -24.837 2.003 239 1HB GLU 33 2HB GLU 33 -22.214 -23.170 4.317 240 2HB GLU 33 1HB GLU 33 -23.219 -22.408 3.086 241 1HG GLU 33 2HG GLU 33 -24.027 -25.084 4.173 242 2HG GLU 33 1HG GLU 33 -24.343 -23.640 5.133 243 H ALA 34 H ALA 34 -20.056 -23.107 2.595 244 HA ALA 34 HA ALA 34 -20.385 -21.400 0.267 245 1HB ALA 34 1HB ALA 34 -18.691 -20.323 1.295 246 2HB ALA 34 3HB ALA 34 -18.533 -21.651 2.445 247 3HB ALA 34 2HB ALA 34 -17.625 -21.681 0.933 248 H LEU 35 H LEU 35 -18.691 -24.414 1.002 249 HA LEU 35 HA LEU 35 -17.331 -24.723 -1.471 250 1HB LEU 35 2HB LEU 35 -18.058 -26.425 0.806 251 2HB LEU 35 1HB LEU 35 -17.989 -27.303 -0.722 252 HG LEU 35 HG LEU 35 -15.800 -25.560 0.452 253 1HD1 LEU 35 2HD1 LEU 35 -16.154 -28.540 0.073 254 2HD1 LEU 35 1HD1 LEU 35 -14.571 -27.805 0.330 255 3HD1 LEU 35 3HD1 LEU 35 -15.819 -27.669 1.569 256 1HD2 LEU 35 1HD2 LEU 35 -16.215 -26.805 -2.245 257 2HD2 LEU 35 3HD2 LEU 35 -15.500 -25.245 -1.832 258 3HD2 LEU 35 2HD2 LEU 35 -14.580 -26.730 -1.587 259 H LYS 36 H LYS 36 -20.682 -25.398 -0.551 260 HA LYS 36 HA LYS 36 -21.547 -27.057 -2.597 261 1HB LYS 36 2HB LYS 36 -22.760 -25.193 -0.808 262 2HB LYS 36 1HB LYS 36 -23.434 -24.909 -2.413 263 1HG LYS 36 2HG LYS 36 -24.108 -27.209 -2.622 264 2HG LYS 36 1HG LYS 36 -23.208 -27.664 -1.175 265 1HD LYS 36 2HD LYS 36 -24.964 -25.540 -0.452 266 2HD LYS 36 1HD LYS 36 -25.908 -26.716 -1.365 267 1HE LYS 36 2HE LYS 36 -24.228 -28.211 0.354 268 2HE LYS 36 1HE LYS 36 -24.905 -26.910 1.334 269 1HZ LYS 36 3HZ LYS 36 -26.810 -28.142 -0.435 270 2HZ LYS 36 2HZ LYS 36 -26.170 -29.215 0.717 271 3HZ LYS 36 1HZ LYS 36 -26.939 -27.785 1.219 272 H THR 37 H THR 37 -20.417 -23.768 -2.859 273 HA THR 37 HA THR 37 -21.531 -22.929 -5.283 274 HB THR 37 HB THR 37 -19.909 -21.652 -3.789 275 HG1 THR 37 HG1 THR 37 -20.514 -20.889 -5.838 276 1HG2 THR 37 1HG2 THR 37 -18.220 -23.552 -3.814 277 2HG2 THR 37 3HG2 THR 37 -17.816 -23.058 -5.458 278 3HG2 THR 37 2HG2 THR 37 -17.555 -21.946 -4.115 279 H LEU 38 H LEU 38 -19.253 -25.474 -4.679 280 HA LEU 38 HA LEU 38 -18.093 -25.688 -7.283 281 1HB LEU 38 2HB LEU 38 -18.646 -27.764 -5.149 282 2HB LEU 38 1HB LEU 38 -17.766 -28.124 -6.634 283 HG LEU 38 HG LEU 38 -16.994 -26.147 -4.471 284 1HD1 LEU 38 1HD1 LEU 38 -16.261 -28.879 -5.177 285 2HD1 LEU 38 3HD1 LEU 38 -14.856 -27.812 -5.159 286 3HD1 LEU 38 2HD1 LEU 38 -15.871 -27.959 -3.724 287 1HD2 LEU 38 2HD2 LEU 38 -16.250 -26.321 -7.338 288 2HD2 LEU 38 1HD2 LEU 38 -16.206 -24.938 -6.246 289 3HD2 LEU 38 3HD2 LEU 38 -14.909 -26.132 -6.210 290 H GLY 39 H GLY 39 -21.163 -26.778 -5.956 291 1HA GLY 39 1HA GLY 39 -22.328 -27.040 -8.580 292 2HA GLY 39 2HA GLY 39 -23.091 -27.529 -7.067 293 H SER 40 H SER 40 -20.246 -29.064 -6.897 294 HA SER 40 HA SER 40 -21.412 -31.594 -7.837 295 1HB SER 40 2HB SER 40 -19.374 -30.121 -9.348 296 2HB SER 40 1HB SER 40 -18.894 -31.775 -8.967 297 HG SER 40 HG SER 40 -21.047 -30.836 -10.487 298 H ILE 41 H ILE 41 -20.994 -31.130 -5.254 299 HA ILE 41 HA ILE 41 -18.603 -32.785 -4.651 300 HB ILE 41 HB ILE 41 -18.135 -30.263 -4.352 301 1HG1 ILE 41 2HG1 ILE 41 -17.815 -31.748 -1.765 302 2HG1 ILE 41 1HG1 ILE 41 -17.023 -32.367 -3.214 303 1HG2 ILE 41 3HG2 ILE 41 -20.524 -30.241 -3.063 304 2HG2 ILE 41 2HG2 ILE 41 -19.436 -30.460 -1.692 305 3HG2 ILE 41 1HG2 ILE 41 -19.249 -29.062 -2.754 306 1HD1 ILE 41 2HD1 ILE 41 -16.290 -29.813 -3.459 307 2HD1 ILE 41 1HD1 ILE 41 -16.522 -29.831 -1.711 308 3HD1 ILE 41 3HD1 ILE 41 -15.370 -30.937 -2.459 309 H THR 42 H THR 42 -18.717 -33.351 -2.168 310 HA THR 42 HA THR 42 -21.582 -33.810 -1.441 311 HB THR 42 HB THR 42 -21.254 -36.048 -1.237 312 HG1 THR 42 HG1 THR 42 -19.273 -36.836 -0.246 313 1HG2 THR 42 3HG2 THR 42 -20.121 -35.621 -3.402 314 2HG2 THR 42 2HG2 THR 42 -18.587 -35.453 -2.546 315 3HG2 THR 42 1HG2 THR 42 -19.424 -37.006 -2.559 316 HA PRO 43 HA PRO 43 -20.587 -32.241 2.576 317 1HB PRO 43 2HB PRO 43 -21.831 -33.960 4.255 318 2HB PRO 43 1HB PRO 43 -22.708 -32.787 3.269 319 1HG PRO 43 2HG PRO 43 -22.246 -35.706 2.781 320 2HG PRO 43 1HG PRO 43 -23.727 -34.766 2.571 321 1HD PRO 43 1HD PRO 43 -22.139 -35.422 0.484 322 2HD PRO 43 2HD PRO 43 -23.046 -33.910 0.530 323 H ASP 44 H ASP 44 -20.096 -35.707 2.095 324 HA ASP 44 HA ASP 44 -18.359 -36.107 4.339 325 1HB ASP 44 2HB ASP 44 -18.517 -37.628 1.720 326 2HB ASP 44 1HB ASP 44 -17.714 -38.193 3.184 327 H GLU 45 H GLU 45 -17.805 -34.690 1.181 328 HA GLU 45 HA GLU 45 -14.905 -35.084 1.336 329 1HB GLU 45 2HB GLU 45 -16.685 -33.477 -0.517 330 2HB GLU 45 1HB GLU 45 -14.927 -33.516 -0.658 331 1HG GLU 45 2HG GLU 45 -15.181 -36.088 -0.699 332 2HG GLU 45 1HG GLU 45 -16.889 -35.783 -1.018 333 H VAL 46 H VAL 46 -17.265 -32.510 1.866 334 HA VAL 46 HA VAL 46 -15.346 -30.448 2.424 335 HB VAL 46 HB VAL 46 -18.221 -30.786 3.325 336 1HG1 VAL 46 3HG1 VAL 46 -16.477 -29.161 4.577 337 2HG1 VAL 46 2HG1 VAL 46 -16.896 -28.119 3.218 338 3HG1 VAL 46 1HG1 VAL 46 -18.158 -28.703 4.304 339 1HG2 VAL 46 1HG2 VAL 46 -16.970 -30.060 0.841 340 2HG2 VAL 46 3HG2 VAL 46 -18.690 -30.178 1.210 341 3HG2 VAL 46 2HG2 VAL 46 -17.833 -28.661 1.481 342 H LYS 47 H LYS 47 -16.920 -32.913 4.384 343 HA LYS 47 HA LYS 47 -15.981 -31.940 6.931 344 1HB LYS 47 2HB LYS 47 -16.808 -34.713 6.020 345 2HB LYS 47 1HB LYS 47 -16.452 -34.294 7.696 346 1HG LYS 47 2HG LYS 47 -18.220 -32.542 7.601 347 2HG LYS 47 1HG LYS 47 -18.608 -33.053 5.958 348 1HD LYS 47 2HD LYS 47 -19.051 -35.360 6.847 349 2HD LYS 47 1HD LYS 47 -18.819 -34.727 8.477 350 1HE LYS 47 2HE LYS 47 -20.648 -33.045 6.987 351 2HE LYS 47 1HE LYS 47 -21.207 -34.719 6.984 352 1HZ LYS 47 3HZ LYS 47 -20.416 -33.178 9.397 353 2HZ LYS 47 2HZ LYS 47 -22.014 -33.492 8.914 354 3HZ LYS 47 1HZ LYS 47 -20.997 -34.771 9.379 355 H HIS 48 H HIS 48 -14.696 -34.212 4.542 356 HA HIS 48 HA HIS 48 -12.425 -35.043 6.088 357 1HB HIS 48 2HB HIS 48 -13.185 -36.281 4.094 358 2HB HIS 48 1HB HIS 48 -12.766 -34.903 3.076 359 HD1 HIS 48 HD1 HIS 48 -10.725 -35.664 1.830 360 HD2 HIS 48 HD2 HIS 48 -10.480 -36.541 5.897 361 HE1 HIS 48 HE1 HIS 48 -8.394 -36.573 2.227 362 H MET 49 H MET 49 -12.953 -32.376 3.789 363 HA MET 49 HA MET 49 -10.269 -31.466 3.634 364 1HB MET 49 2HB MET 49 -12.956 -30.163 3.335 365 2HB MET 49 1HB MET 49 -11.509 -29.160 3.366 366 1HG MET 49 2HG MET 49 -10.624 -30.925 1.610 367 2HG MET 49 1HG MET 49 -12.343 -31.223 1.356 368 1HE MET 49 3HE MET 49 -13.696 -30.105 -0.124 369 2HE MET 49 2HE MET 49 -13.124 -28.887 -1.262 370 3HE MET 49 1HE MET 49 -12.298 -30.439 -1.156 371 H MET 50 H MET 50 -12.864 -30.674 5.918 372 HA MET 50 HA MET 50 -11.382 -28.798 7.472 373 1HB MET 50 2HB MET 50 -13.757 -30.564 8.016 374 2HB MET 50 1HB MET 50 -13.044 -29.605 9.309 375 1HG MET 50 2HG MET 50 -13.243 -27.594 7.753 376 2HG MET 50 1HG MET 50 -14.238 -28.613 6.714 377 1HE MET 50 3HE MET 50 -13.540 -26.940 9.833 378 2HE MET 50 2HE MET 50 -15.059 -26.702 10.694 379 3HE MET 50 1HE MET 50 -14.182 -28.220 10.872 380 H ALA 51 H ALA 51 -11.888 -32.293 7.899 381 HA ALA 51 HA ALA 51 -10.335 -32.614 10.247 382 1HB ALA 51 3HB ALA 51 -11.398 -34.594 9.776 383 2HB ALA 51 1HB ALA 51 -9.867 -34.960 8.981 384 3HB ALA 51 2HB ALA 51 -11.237 -34.383 8.033 385 H GLU 52 H GLU 52 -9.398 -31.910 7.005 386 HA GLU 52 HA GLU 52 -6.575 -32.682 7.536 387 1HB GLU 52 2HB GLU 52 -8.137 -31.931 5.080 388 2HB GLU 52 1HB GLU 52 -6.380 -31.763 5.079 389 1HG GLU 52 2HG GLU 52 -6.350 -34.190 5.981 390 2HG GLU 52 1HG GLU 52 -8.028 -34.266 5.442 391 H ILE 53 H ILE 53 -8.627 -29.876 6.960 392 HA ILE 53 HA ILE 53 -6.385 -27.997 7.030 393 HB ILE 53 HB ILE 53 -9.380 -27.559 7.166 394 1HG1 ILE 53 2HG1 ILE 53 -7.444 -27.283 4.855 395 2HG1 ILE 53 1HG1 ILE 53 -8.544 -28.640 5.081 396 1HG2 ILE 53 1HG2 ILE 53 -7.822 -25.744 8.088 397 2HG2 ILE 53 3HG2 ILE 53 -7.242 -25.555 6.434 398 3HG2 ILE 53 2HG2 ILE 53 -8.938 -25.251 6.813 399 1HD1 ILE 53 2HD1 ILE 53 -9.536 -25.790 5.006 400 2HD1 ILE 53 1HD1 ILE 53 -9.347 -26.746 3.536 401 3HD1 ILE 53 3HD1 ILE 53 -10.462 -27.276 4.796 402 H ASP 54 H ASP 54 -8.784 -29.276 9.262 403 HA ASP 54 HA ASP 54 -8.517 -27.392 11.365 404 1HB ASP 54 2HB ASP 54 -10.124 -29.454 10.978 405 2HB ASP 54 1HB ASP 54 -8.893 -30.322 11.884 406 H THR 55 H THR 55 -6.409 -26.832 11.909 407 HA THR 55 HA THR 55 -4.254 -28.749 12.064 408 HB THR 55 HB THR 55 -3.020 -26.860 13.168 409 HG1 THR 55 HG1 THR 55 -4.429 -25.646 14.195 410 1HG2 THR 55 2HG2 THR 55 -4.539 -26.417 10.597 411 2HG2 THR 55 1HG2 THR 55 -3.315 -25.283 11.166 412 3HG2 THR 55 3HG2 THR 55 -2.870 -26.950 10.800 413 H ASP 56 H ASP 56 -6.236 -27.132 14.549 414 HA ASP 56 HA ASP 56 -4.906 -28.719 16.646 415 1HB ASP 56 2HB ASP 56 -6.043 -27.370 18.212 416 2HB ASP 56 1HB ASP 56 -5.709 -26.268 16.877 417 H GLY 57 H GLY 57 -8.049 -28.541 15.045 418 1HA GLY 57 1HA GLY 57 -8.599 -31.279 16.078 419 2HA GLY 57 2HA GLY 57 -9.335 -30.575 14.642 420 H ASP 58 H ASP 58 -9.914 -27.999 16.094 421 HA ASP 58 HA ASP 58 -11.741 -28.810 18.246 422 1HB ASP 58 2HB ASP 58 -12.216 -26.476 18.524 423 2HB ASP 58 1HB ASP 58 -10.487 -26.596 18.211 424 H GLY 59 H GLY 59 -11.879 -28.916 14.924 425 1HA GLY 59 1HA GLY 59 -14.847 -29.014 15.017 426 2HA GLY 59 2HA GLY 59 -13.838 -29.770 13.784 427 H PHE 60 H PHE 60 -12.584 -26.740 14.336 428 HA PHE 60 HA PHE 60 -14.072 -25.678 11.985 429 1HB PHE 60 2HB PHE 60 -13.359 -23.986 14.386 430 2HB PHE 60 1HB PHE 60 -14.345 -23.527 12.998 431 HD1 PHE 60 HD1 PHE 60 -14.228 -25.491 16.110 432 HD2 PHE 60 HD2 PHE 60 -16.624 -24.341 12.739 433 HE1 PHE 60 HE1 PHE 60 -16.252 -26.342 17.259 434 HE2 PHE 60 HE2 PHE 60 -18.645 -25.196 13.884 435 HZ PHE 60 HZ PHE 60 -18.464 -26.198 16.147 436 H ILE 61 H ILE 61 -12.951 -24.034 10.791 437 HA ILE 61 HA ILE 61 -9.999 -24.194 11.113 438 HB ILE 61 HB ILE 61 -11.571 -23.326 8.676 439 1HG1 ILE 61 2HG1 ILE 61 -12.149 -25.642 9.175 440 2HG1 ILE 61 1HG1 ILE 61 -11.047 -25.609 7.799 441 1HG2 ILE 61 2HG2 ILE 61 -9.150 -22.627 8.943 442 2HG2 ILE 61 1HG2 ILE 61 -8.728 -24.339 8.924 443 3HG2 ILE 61 3HG2 ILE 61 -9.481 -23.602 7.511 444 1HD1 ILE 61 1HD1 ILE 61 -9.148 -26.032 9.382 445 2HD1 ILE 61 3HD1 ILE 61 -10.323 -26.206 10.685 446 3HD1 ILE 61 2HD1 ILE 61 -10.321 -27.350 9.341 447 H SER 62 H SER 62 -8.997 -22.331 11.744 448 HA SER 62 HA SER 62 -10.612 -19.856 11.902 449 1HB SER 62 2HB SER 62 -8.020 -19.396 12.926 450 2HB SER 62 1HB SER 62 -9.499 -19.651 13.853 451 HG SER 62 HG SER 62 -7.535 -21.509 13.079 452 H PHE 63 H PHE 63 -9.385 -17.791 11.290 453 HA PHE 63 HA PHE 63 -8.679 -17.854 8.556 454 1HB PHE 63 2HB PHE 63 -9.287 -15.766 9.745 455 2HB PHE 63 1HB PHE 63 -7.763 -15.840 10.634 456 HD1 PHE 63 HD1 PHE 63 -8.777 -16.374 7.063 457 HD2 PHE 63 HD2 PHE 63 -6.179 -14.342 9.811 458 HE1 PHE 63 HE1 PHE 63 -7.616 -15.291 5.162 459 HE2 PHE 63 HE2 PHE 63 -5.014 -13.261 7.909 460 HZ PHE 63 HZ PHE 63 -5.736 -13.733 5.583 461 H GLN 64 H GLN 64 -6.630 -17.937 11.447 462 HA GLN 64 HA GLN 64 -4.114 -17.932 10.114 463 1HB GLN 64 2HB GLN 64 -4.510 -17.656 12.592 464 2HB GLN 64 1HB GLN 64 -4.812 -19.390 12.679 465 1HG GLN 64 2HG GLN 64 -2.482 -18.992 13.248 466 2HG GLN 64 1HG GLN 64 -2.543 -19.773 11.668 467 1HE2 GLN 64 1HE2 GLN 64 -1.022 -18.815 10.313 468 2HE2 GLN 64 2HE2 GLN 64 -0.688 -17.152 10.239 469 H GLU 65 H GLU 65 -6.152 -20.655 11.223 470 HA GLU 65 HA GLU 65 -4.507 -22.757 10.259 471 1HB GLU 65 2HB GLU 65 -7.379 -22.443 10.957 472 2HB GLU 65 1HB GLU 65 -6.966 -23.826 9.949 473 1HG GLU 65 2HG GLU 65 -5.370 -24.620 11.586 474 2HG GLU 65 1HG GLU 65 -5.559 -23.155 12.548 475 H PHE 66 H PHE 66 -7.190 -21.033 8.684 476 HA PHE 66 HA PHE 66 -7.070 -22.435 6.204 477 1HB PHE 66 2HB PHE 66 -8.932 -20.920 6.924 478 2HB PHE 66 1HB PHE 66 -7.864 -19.544 6.650 479 HD1 PHE 66 HD1 PHE 66 -7.086 -18.977 4.374 480 HD2 PHE 66 HD2 PHE 66 -9.876 -22.168 5.075 481 HE1 PHE 66 HE1 PHE 66 -7.664 -19.003 1.963 482 HE2 PHE 66 HE2 PHE 66 -10.454 -22.194 2.663 483 HZ PHE 66 HZ PHE 66 -9.348 -20.611 1.107 484 H THR 67 H THR 67 -5.343 -19.593 7.402 485 HA THR 67 HA THR 67 -4.058 -18.923 4.923 486 HB THR 67 HB THR 67 -3.249 -18.422 7.803 487 HG1 THR 67 HG1 THR 67 -4.323 -16.594 7.554 488 1HG2 THR 67 3HG2 THR 67 -1.325 -18.400 6.171 489 2HG2 THR 67 2HG2 THR 67 -2.157 -17.111 5.302 490 3HG2 THR 67 1HG2 THR 67 -1.623 -16.852 6.963 491 H ASP 68 H ASP 68 -2.980 -20.871 7.720 492 HA ASP 68 HA ASP 68 -0.436 -21.582 6.659 493 1HB ASP 68 2HB ASP 68 -2.251 -23.156 8.511 494 2HB ASP 68 1HB ASP 68 -0.541 -23.493 8.242 495 H PHE 69 H PHE 69 -3.632 -23.056 6.262 496 HA PHE 69 HA PHE 69 -2.623 -25.279 4.687 497 1HB PHE 69 2HB PHE 69 -4.628 -25.911 5.613 498 2HB PHE 69 1HB PHE 69 -5.255 -24.266 5.625 499 HD1 PHE 69 HD1 PHE 69 -5.891 -23.226 3.363 500 HD2 PHE 69 HD2 PHE 69 -5.331 -27.436 3.970 501 HE1 PHE 69 HE1 PHE 69 -7.203 -23.697 1.307 502 HE2 PHE 69 HE2 PHE 69 -6.635 -27.911 1.920 503 HZ PHE 69 HZ PHE 69 -7.576 -26.041 0.585 504 H GLY 70 H GLY 70 -4.069 -22.116 4.044 505 1HA GLY 70 1HA GLY 70 -4.091 -20.832 2.080 506 2HA GLY 70 2HA GLY 70 -4.419 -22.350 1.243 507 H ARG 71 H ARG 71 -1.533 -21.900 3.174 508 HA ARG 71 HA ARG 71 0.192 -21.086 0.996 509 1HB ARG 71 2HB ARG 71 0.819 -22.400 3.658 510 2HB ARG 71 1HB ARG 71 2.033 -21.754 2.555 511 1HG ARG 71 2HG ARG 71 0.932 -19.525 2.701 512 2HG ARG 71 1HG ARG 71 -0.203 -20.187 3.875 513 1HD ARG 71 2HD ARG 71 2.811 -20.077 4.199 514 2HD ARG 71 1HD ARG 71 1.651 -19.029 5.015 515 HE ARG 71 HE ARG 71 1.036 -21.801 5.516 516 1HH1 ARG 71 1HH1 ARG 71 2.846 -19.033 6.456 517 2HH1 ARG 71 2HH1 ARG 71 3.365 -19.713 7.962 518 1HH2 ARG 71 1HH2 ARG 71 1.853 -22.781 7.403 519 2HH2 ARG 71 2HH2 ARG 71 2.803 -21.835 8.497 520 H ALA 72 H ALA 72 -0.946 -24.147 2.253 521 HA ALA 72 HA ALA 72 0.980 -25.814 0.894 522 1HB ALA 72 2HB ALA 72 -0.037 -27.294 2.259 523 2HB ALA 72 3HB ALA 72 -1.425 -27.261 1.173 524 3HB ALA 72 1HB ALA 72 -1.364 -26.168 2.557 525 H ASN 73 H ASN 73 -1.903 -24.145 -0.077 526 HA ASN 73 HA ASN 73 -1.483 -25.077 -2.850 527 1HB ASN 73 2HB ASN 73 -4.296 -25.121 -1.800 528 2HB ASN 73 1HB ASN 73 -3.605 -25.991 -3.170 529 1HD2 ASN 73 1HD2 ASN 73 -4.411 -26.243 0.168 530 2HD2 ASN 73 2HD2 ASN 73 -3.646 -27.727 0.471 531 H ARG 74 H ARG 74 -0.785 -22.634 -2.200 532 HA ARG 74 HA ARG 74 -2.659 -20.572 -1.920 533 1HB ARG 74 2HB ARG 74 -0.143 -20.576 -3.620 534 2HB ARG 74 1HB ARG 74 -1.021 -19.132 -3.117 535 1HG ARG 74 2HG ARG 74 -0.668 -19.791 -0.735 536 2HG ARG 74 1HG ARG 74 0.295 -21.163 -1.287 537 1HD ARG 74 2HD ARG 74 1.845 -19.593 -2.427 538 2HD ARG 74 1HD ARG 74 0.899 -18.236 -1.813 539 HE ARG 74 HE ARG 74 1.539 -19.629 0.476 540 1HH1 ARG 74 1HH1 ARG 74 3.052 -17.727 -1.912 541 2HH1 ARG 74 2HH1 ARG 74 4.616 -17.766 -1.168 542 1HH2 ARG 74 1HH2 ARG 74 3.673 -19.992 1.316 543 2HH2 ARG 74 2HH2 ARG 74 4.967 -19.049 0.658 544 H GLY 75 H GLY 75 -1.870 -22.507 -4.731 545 1HA GLY 75 1HA GLY 75 -2.851 -22.614 -6.846 546 2HA GLY 75 2HA GLY 75 -3.181 -20.888 -6.696 547 H LEU 76 H LEU 76 -4.324 -23.261 -4.375 548 HA LEU 76 HA LEU 76 -6.927 -23.666 -5.523 549 1HB LEU 76 2HB LEU 76 -5.868 -23.952 -2.704 550 2HB LEU 76 1HB LEU 76 -7.529 -24.352 -3.141 551 HG LEU 76 HG LEU 76 -5.052 -25.550 -4.419 552 1HD1 LEU 76 2HD1 LEU 76 -6.221 -26.123 -1.937 553 2HD1 LEU 76 1HD1 LEU 76 -6.849 -27.362 -3.024 554 3HD1 LEU 76 3HD1 LEU 76 -5.107 -27.156 -2.834 555 1HD2 LEU 76 1HD2 LEU 76 -7.875 -25.482 -5.144 556 2HD2 LEU 76 3HD2 LEU 76 -6.496 -26.068 -6.076 557 3HD2 LEU 76 2HD2 LEU 76 -7.297 -27.134 -4.922 558 H LEU 77 H LEU 77 -5.709 -21.406 -3.068 559 HA LEU 77 HA LEU 77 -8.271 -20.178 -2.583 560 1HB LEU 77 2HB LEU 77 -5.644 -18.752 -2.205 561 2HB LEU 77 1HB LEU 77 -7.110 -18.640 -1.232 562 HG LEU 77 HG LEU 77 -5.131 -20.925 -1.355 563 1HD1 LEU 77 3HD1 LEU 77 -5.774 -18.749 0.485 564 2HD1 LEU 77 2HD1 LEU 77 -5.834 -20.327 1.273 565 3HD1 LEU 77 1HD1 LEU 77 -4.362 -19.807 0.452 566 1HD2 LEU 77 1HD2 LEU 77 -7.453 -21.811 -1.472 567 2HD2 LEU 77 3HD2 LEU 77 -6.677 -22.195 0.066 568 3HD2 LEU 77 2HD2 LEU 77 -7.858 -20.889 -0.024 569 H LYS 78 H LYS 78 -5.795 -19.705 -5.017 570 HA LYS 78 HA LYS 78 -6.815 -17.091 -5.841 571 1HB LYS 78 2HB LYS 78 -4.898 -19.041 -7.153 572 2HB LYS 78 1HB LYS 78 -5.294 -17.454 -7.815 573 1HG LYS 78 2HG LYS 78 -4.589 -16.502 -5.540 574 2HG LYS 78 1HG LYS 78 -3.897 -18.090 -5.209 575 1HD LYS 78 2HD LYS 78 -3.220 -16.431 -7.655 576 2HD LYS 78 1HD LYS 78 -2.253 -16.445 -6.181 577 1HE LYS 78 2HE LYS 78 -2.293 -19.049 -6.501 578 2HE LYS 78 1HE LYS 78 -2.699 -18.653 -8.171 579 1HZ LYS 78 1HZ LYS 78 -0.686 -16.992 -7.793 580 2HZ LYS 78 3HZ LYS 78 -0.222 -18.206 -6.703 581 3HZ LYS 78 2HZ LYS 78 -0.463 -18.584 -8.343 582 H ASP 79 H ASP 79 -7.479 -20.428 -6.555 583 HA ASP 79 HA ASP 79 -9.015 -19.742 -8.984 584 1HB ASP 79 2HB ASP 79 -8.173 -22.280 -7.624 585 2HB ASP 79 1HB ASP 79 -9.514 -22.314 -8.765 586 H VAL 80 H VAL 80 -9.558 -21.096 -5.742 587 HA VAL 80 HA VAL 80 -12.385 -21.382 -5.960 588 HB VAL 80 HB VAL 80 -10.796 -22.226 -4.109 589 1HG1 VAL 80 3HG1 VAL 80 -9.842 -19.998 -3.579 590 2HG1 VAL 80 2HG1 VAL 80 -11.426 -19.474 -3.009 591 3HG1 VAL 80 1HG1 VAL 80 -10.565 -20.760 -2.163 592 1HG2 VAL 80 1HG2 VAL 80 -13.577 -21.264 -3.950 593 2HG2 VAL 80 3HG2 VAL 80 -12.909 -22.842 -3.530 594 3HG2 VAL 80 2HG2 VAL 80 -12.802 -21.504 -2.383 595 H ALA 81 H ALA 81 -10.373 -18.712 -4.822 596 HA ALA 81 HA ALA 81 -12.359 -16.919 -3.979 597 1HB ALA 81 2HB ALA 81 -10.608 -15.219 -5.184 598 2HB ALA 81 3HB ALA 81 -9.610 -16.667 -5.046 599 3HB ALA 81 1HB ALA 81 -10.326 -15.950 -3.604 600 H LYS 82 H LYS 82 -11.223 -17.580 -7.270 601 HA LYS 82 HA LYS 82 -12.672 -15.532 -8.601 602 1HB LYS 82 2HB LYS 82 -11.918 -18.312 -9.550 603 2HB LYS 82 1HB LYS 82 -12.514 -17.027 -10.601 604 1HG LYS 82 2HG LYS 82 -10.605 -15.591 -9.785 605 2HG LYS 82 1HG LYS 82 -9.969 -17.011 -8.955 606 1HD LYS 82 2HD LYS 82 -9.957 -18.218 -11.154 607 2HD LYS 82 1HD LYS 82 -10.433 -16.710 -11.937 608 1HE LYS 82 2HE LYS 82 -8.395 -15.642 -11.369 609 2HE LYS 82 1HE LYS 82 -7.997 -16.863 -10.160 610 1HZ LYS 82 3HZ LYS 82 -8.200 -17.398 -13.072 611 2HZ LYS 82 2HZ LYS 82 -6.741 -17.101 -12.253 612 3HZ LYS 82 1HZ LYS 82 -7.667 -18.475 -11.874 613 H ILE 83 H ILE 83 -13.694 -18.658 -7.363 614 HA ILE 83 HA ILE 83 -16.156 -18.906 -8.759 615 HB ILE 83 HB ILE 83 -15.413 -19.769 -5.949 616 1HG1 ILE 83 2HG1 ILE 83 -15.449 -21.209 -8.619 617 2HG1 ILE 83 1HG1 ILE 83 -14.018 -20.780 -7.680 618 1HG2 ILE 83 2HG2 ILE 83 -17.750 -20.571 -7.710 619 2HG2 ILE 83 1HG2 ILE 83 -17.329 -21.331 -6.176 620 3HG2 ILE 83 3HG2 ILE 83 -17.852 -19.648 -6.211 621 1HD1 ILE 83 3HD1 ILE 83 -16.226 -22.569 -6.630 622 2HD1 ILE 83 2HD1 ILE 83 -14.768 -23.182 -7.409 623 3HD1 ILE 83 1HD1 ILE 83 -14.648 -22.279 -5.899 624 H PHE 84 H PHE 84 -15.252 -16.972 -5.964 625 HA PHE 84 HA PHE 84 -18.064 -15.997 -5.757 626 1HB PHE 84 2HB PHE 84 -15.716 -15.712 -3.859 627 2HB PHE 84 1HB PHE 84 -17.318 -15.028 -3.583 628 HD1 PHE 84 HD1 PHE 84 -15.740 -18.306 -4.524 629 HD2 PHE 84 HD2 PHE 84 -18.833 -16.283 -2.335 630 HE1 PHE 84 HE1 PHE 84 -16.506 -20.476 -3.602 631 HE2 PHE 84 HE2 PHE 84 -19.599 -18.454 -1.412 632 HZ PHE 84 HZ PHE 84 -18.436 -20.551 -2.045 No H/Q in entry = 632 Start of MODEL 12 1 H1 ALA 1 1H ALA 1 9.850 -17.549 0.195 2 H2 ALA 1 3H ALA 1 8.340 -18.253 0.514 3 H3 ALA 1 2H ALA 1 9.464 -19.065 -0.468 4 HA ALA 1 HA ALA 1 9.204 -17.570 -2.232 5 1HB ALA 1 1HB ALA 1 7.187 -19.146 -1.461 6 2HB ALA 1 3HB ALA 1 6.381 -17.590 -1.255 7 3HB ALA 1 2HB ALA 1 7.025 -18.047 -2.832 8 H ASP 2 H ASP 2 6.831 -15.847 -2.430 9 HA ASP 2 HA ASP 2 7.924 -13.498 -0.944 10 1HB ASP 2 2HB ASP 2 7.839 -13.484 -3.501 11 2HB ASP 2 1HB ASP 2 6.083 -13.416 -3.343 12 H ASP 3 H ASP 3 6.698 -14.002 0.990 13 HA ASP 3 HA ASP 3 3.744 -13.934 0.732 14 1HB ASP 3 2HB ASP 3 4.801 -15.626 2.227 15 2HB ASP 3 1HB ASP 3 5.473 -14.315 3.196 16 H HIS 4 H HIS 4 2.916 -11.894 0.627 17 HA HIS 4 HA HIS 4 4.117 -9.829 2.431 18 1HB HIS 4 2HB HIS 4 2.597 -8.509 0.456 19 2HB HIS 4 1HB HIS 4 4.352 -8.542 0.593 20 HD1 HIS 4 HD1 HIS 4 1.563 -9.742 -1.489 21 HD2 HIS 4 HD2 HIS 4 5.583 -10.716 -0.965 22 HE1 HIS 4 HE1 HIS 4 2.222 -11.164 -3.480 23 HA PRO 5 HA PRO 5 0.175 -9.129 4.325 24 1HB PRO 5 2HB PRO 5 -0.214 -6.457 4.164 25 2HB PRO 5 1HB PRO 5 0.971 -7.189 5.250 26 1HG PRO 5 2HG PRO 5 1.381 -5.935 2.559 27 2HG PRO 5 1HG PRO 5 2.344 -5.748 4.029 28 1HD PRO 5 1HD PRO 5 3.109 -7.388 2.026 29 2HD PRO 5 2HD PRO 5 3.444 -7.764 3.718 30 H GLN 6 H GLN 6 0.615 -7.925 1.080 31 HA GLN 6 HA GLN 6 -2.086 -7.182 0.510 32 1HB GLN 6 2HB GLN 6 0.315 -7.951 -1.102 33 2HB GLN 6 1HB GLN 6 -1.255 -7.930 -1.906 34 1HG GLN 6 2HG GLN 6 -1.584 -5.628 -1.455 35 2HG GLN 6 1HG GLN 6 -0.325 -5.605 -0.221 36 1HE2 GLN 6 1HE2 GLN 6 1.950 -6.375 -1.227 37 2HE2 GLN 6 2HE2 GLN 6 2.342 -5.662 -2.716 38 H ASP 7 H ASP 7 -0.363 -10.268 0.346 39 HA ASP 7 HA ASP 7 -2.450 -11.754 -0.932 40 1HB ASP 7 2HB ASP 7 -0.216 -12.588 0.932 41 2HB ASP 7 1HB ASP 7 -1.313 -13.744 0.176 42 H LYS 8 H LYS 8 -1.723 -11.128 2.485 43 HA LYS 8 HA LYS 8 -3.654 -12.784 3.681 44 1HB LYS 8 2HB LYS 8 -2.438 -10.146 4.435 45 2HB LYS 8 1HB LYS 8 -3.772 -10.783 5.397 46 1HG LYS 8 2HG LYS 8 -2.378 -13.003 5.374 47 2HG LYS 8 1HG LYS 8 -1.030 -11.942 4.962 48 1HD LYS 8 2HD LYS 8 -1.588 -10.546 6.968 49 2HD LYS 8 1HD LYS 8 -2.815 -11.736 7.405 50 1HE LYS 8 2HE LYS 8 -1.069 -12.620 8.609 51 2HE LYS 8 1HE LYS 8 -0.717 -13.393 7.062 52 1HZ LYS 8 2HZ LYS 8 0.552 -11.148 6.665 53 2HZ LYS 8 1HZ LYS 8 0.619 -11.138 8.363 54 3HZ LYS 8 3HZ LYS 8 1.284 -12.436 7.498 55 H ALA 9 H ALA 9 -4.034 -9.625 2.155 56 HA ALA 9 HA ALA 9 -6.712 -9.102 2.950 57 1HB ALA 9 3HB ALA 9 -5.287 -8.404 0.363 58 2HB ALA 9 2HB ALA 9 -6.837 -7.726 0.860 59 3HB ALA 9 1HB ALA 9 -5.386 -7.397 1.808 60 H GLU 10 H GLU 10 -5.426 -10.882 0.162 61 HA GLU 10 HA GLU 10 -8.006 -11.587 -0.907 62 1HB GLU 10 2HB GLU 10 -5.400 -13.107 -1.216 63 2HB GLU 10 1HB GLU 10 -6.797 -13.174 -2.290 64 1HG GLU 10 2HG GLU 10 -6.487 -10.680 -2.667 65 2HG GLU 10 1HG GLU 10 -4.953 -10.820 -1.809 66 H ARG 11 H ARG 11 -5.729 -13.238 1.255 67 HA ARG 11 HA ARG 11 -7.288 -15.631 1.564 68 1HB ARG 11 2HB ARG 11 -5.198 -14.312 3.313 69 2HB ARG 11 1HB ARG 11 -5.919 -15.876 3.689 70 1HG ARG 11 2HG ARG 11 -5.221 -16.556 1.293 71 2HG ARG 11 1HG ARG 11 -4.197 -15.121 1.326 72 1HD ARG 11 2HD ARG 11 -3.439 -16.127 3.661 73 2HD ARG 11 1HD ARG 11 -3.997 -17.636 2.940 74 HE ARG 11 HE ARG 11 -1.804 -15.938 1.839 75 1HH1 ARG 11 1HH1 ARG 11 -3.117 -17.539 -0.274 76 2HH1 ARG 11 2HH1 ARG 11 -2.236 -19.030 -0.230 77 1HH2 ARG 11 1HH2 ARG 11 -0.866 -18.435 2.900 78 2HH2 ARG 11 2HH2 ARG 11 -0.960 -19.535 1.567 79 H GLU 12 H GLU 12 -7.170 -12.571 3.327 80 HA GLU 12 HA GLU 12 -8.973 -13.352 5.424 81 1HB GLU 12 2HB GLU 12 -7.880 -10.782 4.377 82 2HB GLU 12 1HB GLU 12 -9.338 -10.697 5.364 83 1HG GLU 12 2HG GLU 12 -8.049 -12.249 7.005 84 2HG GLU 12 1HG GLU 12 -6.612 -11.740 6.117 85 H ARG 13 H ARG 13 -9.451 -11.788 2.277 86 HA ARG 13 HA ARG 13 -12.283 -11.381 2.624 87 1HB ARG 13 2HB ARG 13 -10.643 -11.648 0.086 88 2HB ARG 13 1HB ARG 13 -12.305 -11.060 0.162 89 1HG ARG 13 2HG ARG 13 -11.694 -9.085 1.256 90 2HG ARG 13 1HG ARG 13 -10.191 -9.775 1.871 91 1HD ARG 13 2HD ARG 13 -9.048 -9.355 -0.071 92 2HD ARG 13 1HD ARG 13 -10.461 -9.642 -1.087 93 HE ARG 13 HE ARG 13 -11.233 -7.331 -0.109 94 1HH1 ARG 13 1HH1 ARG 13 -8.873 -7.869 -2.260 95 2HH1 ARG 13 2HH1 ARG 13 -7.898 -6.485 -1.890 96 1HH2 ARG 13 1HH2 ARG 13 -9.602 -5.735 1.036 97 2HH2 ARG 13 2HH2 ARG 13 -8.311 -5.278 -0.025 98 H ILE 14 H ILE 14 -10.332 -13.981 1.216 99 HA ILE 14 HA ILE 14 -12.603 -15.535 0.323 100 HB ILE 14 HB ILE 14 -9.797 -16.468 1.000 101 1HG1 ILE 14 2HG1 ILE 14 -10.783 -15.846 -1.765 102 2HG1 ILE 14 1HG1 ILE 14 -10.204 -14.536 -0.741 103 1HG2 ILE 14 3HG2 ILE 14 -11.887 -18.068 0.594 104 2HG2 ILE 14 2HG2 ILE 14 -11.544 -17.692 -1.095 105 3HG2 ILE 14 1HG2 ILE 14 -10.306 -18.444 -0.090 106 1HD1 ILE 14 3HD1 ILE 14 -8.127 -16.004 -0.336 107 2HD1 ILE 14 2HD1 ILE 14 -8.687 -16.965 -1.704 108 3HD1 ILE 14 1HD1 ILE 14 -8.280 -15.264 -1.930 109 H PHE 15 H PHE 15 -10.520 -15.626 3.218 110 HA PHE 15 HA PHE 15 -11.868 -17.855 4.430 111 1HB PHE 15 2HB PHE 15 -9.644 -17.097 5.190 112 2HB PHE 15 1HB PHE 15 -10.353 -15.587 5.765 113 HD1 PHE 15 HD1 PHE 15 -10.190 -19.248 6.273 114 HD2 PHE 15 HD2 PHE 15 -11.712 -15.524 7.777 115 HE1 PHE 15 HE1 PHE 15 -10.819 -20.365 8.396 116 HE2 PHE 15 HE2 PHE 15 -12.339 -16.641 9.904 117 HZ PHE 15 HZ PHE 15 -11.895 -19.064 10.212 118 H LYS 16 H LYS 16 -12.408 -14.369 4.489 119 HA LYS 16 HA LYS 16 -14.415 -14.386 6.546 120 1HB LYS 16 2HB LYS 16 -13.685 -12.489 4.326 121 2HB LYS 16 1HB LYS 16 -15.139 -12.213 5.284 122 1HG LYS 16 2HG LYS 16 -12.436 -12.693 6.553 123 2HG LYS 16 1HG LYS 16 -13.001 -11.078 6.125 124 1HD LYS 16 2HD LYS 16 -15.003 -11.407 7.534 125 2HD LYS 16 1HD LYS 16 -14.435 -13.020 7.964 126 1HE LYS 16 2HE LYS 16 -12.403 -10.951 8.383 127 2HE LYS 16 1HE LYS 16 -13.855 -10.690 9.350 128 1HZ LYS 16 3HZ LYS 16 -13.323 -13.394 9.481 129 2HZ LYS 16 2HZ LYS 16 -11.818 -12.630 9.676 130 3HZ LYS 16 1HZ LYS 16 -13.108 -12.249 10.714 131 H ARG 17 H ARG 17 -14.470 -15.067 3.106 132 HA ARG 17 HA ARG 17 -17.341 -14.920 2.802 133 1HB ARG 17 2HB ARG 17 -15.137 -16.238 1.209 134 2HB ARG 17 1HB ARG 17 -16.835 -16.405 0.759 135 1HG ARG 17 2HG ARG 17 -16.916 -13.821 0.910 136 2HG ARG 17 1HG ARG 17 -15.156 -13.900 0.864 137 1HD ARG 17 2HD ARG 17 -15.506 -15.430 -1.213 138 2HD ARG 17 1HD ARG 17 -17.135 -14.753 -1.242 139 HE ARG 17 HE ARG 17 -15.952 -12.476 -1.342 140 1HH1 ARG 17 1HH1 ARG 17 -13.232 -13.964 -1.182 141 2HH1 ARG 17 2HH1 ARG 17 -12.724 -13.849 -2.834 142 1HH2 ARG 17 1HH2 ARG 17 -15.858 -12.947 -4.012 143 2HH2 ARG 17 2HH2 ARG 17 -14.211 -13.271 -4.437 144 H PHE 18 H PHE 18 -15.053 -17.504 3.587 145 HA PHE 18 HA PHE 18 -17.009 -19.619 3.576 146 1HB PHE 18 2HB PHE 18 -14.261 -19.315 4.779 147 2HB PHE 18 1HB PHE 18 -15.232 -20.756 5.078 148 HD1 PHE 18 HD1 PHE 18 -16.079 -22.099 3.092 149 HD2 PHE 18 HD2 PHE 18 -13.124 -19.004 2.716 150 HE1 PHE 18 HE1 PHE 18 -15.412 -23.004 0.882 151 HE2 PHE 18 HE2 PHE 18 -12.457 -19.909 0.505 152 HZ PHE 18 HZ PHE 18 -13.601 -21.909 -0.411 153 H ASP 19 H ASP 19 -15.588 -17.678 6.210 154 HA ASP 19 HA ASP 19 -17.067 -18.845 8.333 155 1HB ASP 19 2HB ASP 19 -15.145 -17.073 8.395 156 2HB ASP 19 1HB ASP 19 -16.452 -15.893 8.266 157 H ALA 20 H ALA 20 -19.262 -19.145 8.039 158 HA ALA 20 HA ALA 20 -20.962 -17.385 6.580 159 1HB ALA 20 3HB ALA 20 -21.406 -19.808 7.148 160 2HB ALA 20 2HB ALA 20 -21.820 -19.275 8.778 161 3HB ALA 20 1HB ALA 20 -22.774 -18.725 7.401 162 H ASN 21 H ASN 21 -20.667 -17.770 10.159 163 HA ASN 21 HA ASN 21 -22.316 -15.341 10.459 164 1HB ASN 21 2HB ASN 21 -22.257 -15.804 12.854 165 2HB ASN 21 1HB ASN 21 -22.677 -17.273 11.979 166 1HD2 ASN 21 1HD2 ASN 21 -21.453 -17.083 14.647 167 2HD2 ASN 21 2HD2 ASN 21 -19.967 -17.891 14.555 168 H GLY 22 H GLY 22 -18.984 -16.237 10.452 169 1HA GLY 22 1HA GLY 22 -18.241 -13.413 10.730 170 2HA GLY 22 2HA GLY 22 -17.140 -14.738 10.362 171 H ASP 23 H ASP 23 -17.768 -16.413 12.575 172 HA ASP 23 HA ASP 23 -17.201 -14.728 14.950 173 1HB ASP 23 2HB ASP 23 -17.552 -16.772 16.267 174 2HB ASP 23 1HB ASP 23 -18.916 -16.488 15.190 175 H GLY 24 H GLY 24 -15.413 -15.958 12.545 176 1HA GLY 24 1HA GLY 24 -13.031 -16.163 14.299 177 2HA GLY 24 2HA GLY 24 -13.002 -15.864 12.563 178 H LYS 25 H LYS 25 -15.179 -18.358 13.321 179 HA LYS 25 HA LYS 25 -13.107 -20.362 12.548 180 1HB LYS 25 2HB LYS 25 -14.005 -21.957 14.114 181 2HB LYS 25 1HB LYS 25 -13.728 -20.460 15.004 182 1HG LYS 25 2HG LYS 25 -16.059 -19.881 14.900 183 2HG LYS 25 1HG LYS 25 -16.394 -21.195 13.771 184 1HD LYS 25 2HD LYS 25 -15.525 -22.771 15.609 185 2HD LYS 25 1HD LYS 25 -15.658 -21.387 16.697 186 1HE LYS 25 2HE LYS 25 -18.085 -21.372 15.344 187 2HE LYS 25 1HE LYS 25 -17.766 -23.089 15.589 188 1HZ LYS 25 2HZ LYS 25 -17.069 -21.904 17.955 189 2HZ LYS 25 1HZ LYS 25 -18.492 -21.097 17.494 190 3HZ LYS 25 3HZ LYS 25 -18.489 -22.787 17.651 191 H ILE 26 H ILE 26 -13.776 -21.922 11.103 192 HA ILE 26 HA ILE 26 -16.533 -21.591 9.991 193 HB ILE 26 HB ILE 26 -14.165 -22.783 8.540 194 1HG1 ILE 26 2HG1 ILE 26 -15.052 -19.889 8.706 195 2HG1 ILE 26 1HG1 ILE 26 -13.483 -20.547 9.167 196 1HG2 ILE 26 3HG2 ILE 26 -16.818 -21.580 7.695 197 2HG2 ILE 26 2HG2 ILE 26 -15.538 -22.024 6.566 198 3HG2 ILE 26 1HG2 ILE 26 -16.320 -23.265 7.545 199 1HD1 ILE 26 2HD1 ILE 26 -14.090 -21.312 6.454 200 2HD1 ILE 26 1HD1 ILE 26 -14.256 -19.564 6.627 201 3HD1 ILE 26 3HD1 ILE 26 -12.737 -20.352 7.052 202 H SER 27 H SER 27 -17.835 -23.377 9.976 203 HA SER 27 HA SER 27 -16.646 -25.931 10.959 204 1HB SER 27 2HB SER 27 -18.744 -26.455 11.912 205 2HB SER 27 1HB SER 27 -18.574 -24.726 12.217 206 HG SER 27 HG SER 27 -20.176 -24.343 10.928 207 H ALA 28 H ALA 28 -17.840 -27.920 10.023 208 HA ALA 28 HA ALA 28 -17.502 -28.060 7.247 209 1HB ALA 28 1HB ALA 28 -19.601 -29.844 7.802 210 2HB ALA 28 3HB ALA 28 -17.876 -30.214 7.814 211 3HB ALA 28 2HB ALA 28 -18.686 -29.734 9.305 212 H ALA 29 H ALA 29 -20.509 -27.434 9.048 213 HA ALA 29 HA ALA 29 -22.231 -27.179 6.827 214 1HB ALA 29 3HB ALA 29 -23.145 -27.232 9.065 215 2HB ALA 29 2HB ALA 29 -22.268 -25.766 9.505 216 3HB ALA 29 1HB ALA 29 -23.590 -25.687 8.340 217 H GLU 30 H GLU 30 -20.010 -24.830 8.273 218 HA GLU 30 HA GLU 30 -20.948 -22.673 6.549 219 1HB GLU 30 2HB GLU 30 -18.466 -22.915 8.275 220 2HB GLU 30 1HB GLU 30 -18.980 -21.440 7.455 221 1HG GLU 30 2HG GLU 30 -21.141 -21.544 8.696 222 2HG GLU 30 1HG GLU 30 -20.549 -22.960 9.563 223 H LEU 31 H LEU 31 -17.924 -24.581 6.704 224 HA LEU 31 HA LEU 31 -16.868 -23.535 4.258 225 1HB LEU 31 2HB LEU 31 -15.442 -24.735 5.850 226 2HB LEU 31 1HB LEU 31 -16.376 -26.211 5.605 227 HG LEU 31 HG LEU 31 -15.719 -26.255 3.237 228 1HD1 LEU 31 1HD1 LEU 31 -14.586 -23.587 3.976 229 2HD1 LEU 31 3HD1 LEU 31 -13.731 -24.544 2.767 230 3HD1 LEU 31 2HD1 LEU 31 -15.412 -24.083 2.499 231 1HD2 LEU 31 1HD2 LEU 31 -13.605 -26.081 5.365 232 2HD2 LEU 31 3HD2 LEU 31 -14.189 -27.497 4.490 233 3HD2 LEU 31 2HD2 LEU 31 -13.127 -26.340 3.687 234 H GLY 32 H GLY 32 -18.899 -26.352 4.975 235 1HA GLY 32 1HA GLY 32 -20.158 -27.721 3.544 236 2HA GLY 32 2HA GLY 32 -18.934 -27.408 2.315 237 H GLU 33 H GLU 33 -21.110 -25.142 4.002 238 HA GLU 33 HA GLU 33 -22.963 -24.798 1.890 239 1HB GLU 33 2HB GLU 33 -22.104 -23.160 4.239 240 2HB GLU 33 1HB GLU 33 -23.085 -22.383 3.000 241 1HG GLU 33 2HG GLU 33 -24.710 -24.312 3.206 242 2HG GLU 33 1HG GLU 33 -23.780 -24.859 4.601 243 H ALA 34 H ALA 34 -19.911 -23.082 2.550 244 HA ALA 34 HA ALA 34 -20.215 -21.355 0.230 245 1HB ALA 34 2HB ALA 34 -18.751 -20.363 1.719 246 2HB ALA 34 1HB ALA 34 -18.088 -21.908 2.252 247 3HB ALA 34 3HB ALA 34 -17.580 -21.215 0.712 248 H LEU 35 H LEU 35 -18.490 -24.350 0.981 249 HA LEU 35 HA LEU 35 -17.104 -24.620 -1.487 250 1HB LEU 35 2HB LEU 35 -17.927 -26.443 0.714 251 2HB LEU 35 1HB LEU 35 -17.530 -27.199 -0.828 252 HG LEU 35 HG LEU 35 -15.763 -25.300 0.745 253 1HD1 LEU 35 1HD1 LEU 35 -15.704 -28.276 0.209 254 2HD1 LEU 35 3HD1 LEU 35 -14.272 -27.385 0.726 255 3HD1 LEU 35 2HD1 LEU 35 -15.693 -27.452 1.769 256 1HD2 LEU 35 2HD2 LEU 35 -15.566 -26.502 -2.008 257 2HD2 LEU 35 1HD2 LEU 35 -15.242 -24.846 -1.499 258 3HD2 LEU 35 3HD2 LEU 35 -14.104 -26.131 -1.097 259 H LYS 36 H LYS 36 -20.438 -25.386 -0.570 260 HA LYS 36 HA LYS 36 -21.236 -27.056 -2.645 261 1HB LYS 36 2HB LYS 36 -22.529 -25.114 -0.901 262 2HB LYS 36 1HB LYS 36 -23.298 -25.173 -2.487 263 1HG LYS 36 2HG LYS 36 -23.572 -27.590 -2.309 264 2HG LYS 36 1HG LYS 36 -22.687 -27.608 -0.784 265 1HD LYS 36 2HD LYS 36 -24.616 -25.739 -0.258 266 2HD LYS 36 1HD LYS 36 -25.485 -26.835 -1.332 267 1HE LYS 36 2HE LYS 36 -25.475 -28.532 0.191 268 2HE LYS 36 1HE LYS 36 -23.839 -28.163 0.736 269 1HZ LYS 36 2HZ LYS 36 -25.097 -26.038 1.652 270 2HZ LYS 36 1HZ LYS 36 -26.394 -27.134 1.689 271 3HZ LYS 36 3HZ LYS 36 -24.973 -27.476 2.549 272 H THR 37 H THR 37 -20.217 -23.732 -2.849 273 HA THR 37 HA THR 37 -21.398 -22.894 -5.254 274 HB THR 37 HB THR 37 -19.838 -21.561 -3.744 275 HG1 THR 37 HG1 THR 37 -20.403 -20.652 -5.665 276 1HG2 THR 37 3HG2 THR 37 -18.034 -23.249 -3.659 277 2HG2 THR 37 2HG2 THR 37 -17.744 -23.016 -5.382 278 3HG2 THR 37 1HG2 THR 37 -17.438 -21.699 -4.251 279 H LEU 38 H LEU 38 -19.027 -25.359 -4.701 280 HA LEU 38 HA LEU 38 -17.820 -25.465 -7.285 281 1HB LEU 38 2HB LEU 38 -18.390 -27.669 -5.282 282 2HB LEU 38 1HB LEU 38 -17.385 -27.875 -6.716 283 HG LEU 38 HG LEU 38 -16.896 -25.973 -4.406 284 1HD1 LEU 38 3HD1 LEU 38 -16.000 -28.654 -5.104 285 2HD1 LEU 38 2HD1 LEU 38 -14.642 -27.541 -4.942 286 3HD1 LEU 38 1HD1 LEU 38 -15.769 -27.757 -3.604 287 1HD2 LEU 38 2HD2 LEU 38 -15.634 -26.213 -7.136 288 2HD2 LEU 38 1HD2 LEU 38 -16.192 -24.760 -6.307 289 3HD2 LEU 38 3HD2 LEU 38 -14.725 -25.574 -5.766 290 H GLY 39 H GLY 39 -20.901 -26.640 -6.070 291 1HA GLY 39 1HA GLY 39 -21.955 -26.890 -8.753 292 2HA GLY 39 2HA GLY 39 -22.794 -27.351 -7.272 293 H SER 40 H SER 40 -19.921 -28.892 -7.029 294 HA SER 40 HA SER 40 -21.098 -31.438 -7.901 295 1HB SER 40 2HB SER 40 -19.048 -30.010 -9.453 296 2HB SER 40 1HB SER 40 -18.618 -31.677 -9.068 297 HG SER 40 HG SER 40 -21.009 -31.960 -9.758 298 H ILE 41 H ILE 41 -20.754 -31.184 -5.379 299 HA ILE 41 HA ILE 41 -18.307 -32.716 -4.762 300 HB ILE 41 HB ILE 41 -17.862 -30.188 -4.474 301 1HG1 ILE 41 2HG1 ILE 41 -17.542 -31.799 -1.941 302 2HG1 ILE 41 1HG1 ILE 41 -16.629 -32.183 -3.400 303 1HG2 ILE 41 2HG2 ILE 41 -20.233 -30.106 -3.230 304 2HG2 ILE 41 1HG2 ILE 41 -19.221 -30.451 -1.828 305 3HG2 ILE 41 3HG2 ILE 41 -18.923 -29.008 -2.799 306 1HD1 ILE 41 1HD1 ILE 41 -16.598 -29.324 -2.746 307 2HD1 ILE 41 3HD1 ILE 41 -15.879 -30.328 -1.486 308 3HD1 ILE 41 2HD1 ILE 41 -15.256 -30.401 -3.135 309 H THR 42 H THR 42 -18.408 -33.421 -2.367 310 HA THR 42 HA THR 42 -21.270 -33.873 -1.618 311 HB THR 42 HB THR 42 -20.870 -36.095 -1.393 312 HG1 THR 42 HG1 THR 42 -18.846 -36.771 -0.329 313 1HG2 THR 42 3HG2 THR 42 -19.617 -35.606 -3.507 314 2HG2 THR 42 2HG2 THR 42 -18.138 -35.489 -2.552 315 3HG2 THR 42 1HG2 THR 42 -19.009 -37.021 -2.647 316 HA PRO 43 HA PRO 43 -20.380 -32.136 2.352 317 1HB PRO 43 2HB PRO 43 -21.677 -33.798 4.049 318 2HB PRO 43 1HB PRO 43 -22.520 -32.650 3.007 319 1HG PRO 43 2HG PRO 43 -22.062 -35.585 2.615 320 2HG PRO 43 1HG PRO 43 -23.532 -34.643 2.340 321 1HD PRO 43 1HD PRO 43 -21.898 -35.366 0.314 322 2HD PRO 43 2HD PRO 43 -22.789 -33.844 0.297 323 H ASP 44 H ASP 44 -19.852 -35.605 1.960 324 HA ASP 44 HA ASP 44 -18.191 -35.959 4.270 325 1HB ASP 44 2HB ASP 44 -19.283 -37.626 2.374 326 2HB ASP 44 1HB ASP 44 -17.570 -37.665 1.955 327 H GLU 45 H GLU 45 -17.559 -34.609 1.097 328 HA GLU 45 HA GLU 45 -14.660 -34.936 1.332 329 1HB GLU 45 2HB GLU 45 -16.364 -33.273 -0.552 330 2HB GLU 45 1HB GLU 45 -14.614 -33.458 -0.683 331 1HG GLU 45 2HG GLU 45 -15.013 -35.973 -0.775 332 2HG GLU 45 1HG GLU 45 -16.729 -35.607 -0.961 333 H VAL 46 H VAL 46 -17.081 -32.415 1.822 334 HA VAL 46 HA VAL 46 -15.220 -30.310 2.417 335 HB VAL 46 HB VAL 46 -18.112 -30.740 3.209 336 1HG1 VAL 46 1HG1 VAL 46 -16.762 -29.265 4.801 337 2HG1 VAL 46 3HG1 VAL 46 -16.534 -28.167 3.441 338 3HG1 VAL 46 2HG1 VAL 46 -18.157 -28.496 4.045 339 1HG2 VAL 46 1HG2 VAL 46 -16.801 -29.906 0.820 340 2HG2 VAL 46 3HG2 VAL 46 -18.535 -29.946 1.147 341 3HG2 VAL 46 2HG2 VAL 46 -17.603 -28.492 1.505 342 H LYS 47 H LYS 47 -16.781 -32.812 4.336 343 HA LYS 47 HA LYS 47 -15.859 -31.842 6.899 344 1HB LYS 47 2HB LYS 47 -16.782 -34.569 5.952 345 2HB LYS 47 1HB LYS 47 -16.343 -34.231 7.627 346 1HG LYS 47 2HG LYS 47 -18.044 -32.404 7.662 347 2HG LYS 47 1HG LYS 47 -18.524 -32.856 6.026 348 1HD LYS 47 2HD LYS 47 -18.981 -35.183 6.896 349 2HD LYS 47 1HD LYS 47 -18.706 -34.563 8.524 350 1HE LYS 47 2HE LYS 47 -20.755 -33.433 6.594 351 2HE LYS 47 1HE LYS 47 -21.129 -34.593 7.869 352 1HZ LYS 47 3HZ LYS 47 -19.830 -32.788 9.281 353 2HZ LYS 47 2HZ LYS 47 -20.439 -31.769 8.066 354 3HZ LYS 47 1HZ LYS 47 -21.502 -32.697 9.012 355 H HIS 48 H HIS 48 -14.609 -34.120 4.500 356 HA HIS 48 HA HIS 48 -12.343 -34.989 6.044 357 1HB HIS 48 2HB HIS 48 -13.115 -36.238 4.070 358 2HB HIS 48 1HB HIS 48 -12.728 -34.864 3.035 359 HD1 HIS 48 HD1 HIS 48 -10.755 -35.751 1.730 360 HD2 HIS 48 HD2 HIS 48 -10.324 -36.341 5.834 361 HE1 HIS 48 HE1 HIS 48 -8.399 -36.609 2.088 362 H MET 49 H MET 49 -12.828 -32.364 3.684 363 HA MET 49 HA MET 49 -10.135 -31.473 3.562 364 1HB MET 49 2HB MET 49 -12.809 -30.170 3.152 365 2HB MET 49 1HB MET 49 -11.356 -29.175 3.172 366 1HG MET 49 2HG MET 49 -10.442 -31.002 1.504 367 2HG MET 49 1HG MET 49 -12.155 -31.325 1.236 368 1HE MET 49 2HE MET 49 -13.146 -30.628 -0.499 369 2HE MET 49 1HE MET 49 -12.922 -29.186 -1.485 370 3HE MET 49 3HE MET 49 -11.711 -30.475 -1.509 371 H MET 50 H MET 50 -12.788 -30.591 5.746 372 HA MET 50 HA MET 50 -11.366 -28.662 7.279 373 1HB MET 50 2HB MET 50 -13.760 -30.394 7.729 374 2HB MET 50 1HB MET 50 -13.035 -29.606 9.129 375 1HG MET 50 2HG MET 50 -13.112 -27.441 7.755 376 2HG MET 50 1HG MET 50 -14.169 -28.313 6.644 377 1HE MET 50 3HE MET 50 -13.435 -26.747 9.805 378 2HE MET 50 2HE MET 50 -14.915 -26.658 10.757 379 3HE MET 50 1HE MET 50 -13.951 -28.132 10.778 380 H ALA 51 H ALA 51 -11.760 -32.160 7.737 381 HA ALA 51 HA ALA 51 -10.262 -32.406 10.136 382 1HB ALA 51 1HB ALA 51 -11.244 -34.424 9.673 383 2HB ALA 51 2HB ALA 51 -9.691 -34.749 8.903 384 3HB ALA 51 3HB ALA 51 -11.064 -34.226 7.930 385 H GLU 52 H GLU 52 -9.260 -31.822 6.867 386 HA GLU 52 HA GLU 52 -6.435 -32.474 7.484 387 1HB GLU 52 2HB GLU 52 -7.960 -31.754 4.995 388 2HB GLU 52 1HB GLU 52 -6.209 -31.540 5.032 389 1HG GLU 52 2HG GLU 52 -6.074 -33.951 5.871 390 2HG GLU 52 1HG GLU 52 -7.776 -34.096 5.434 391 H ILE 53 H ILE 53 -8.543 -29.723 6.861 392 HA ILE 53 HA ILE 53 -6.367 -27.775 6.976 393 HB ILE 53 HB ILE 53 -9.378 -27.449 7.092 394 1HG1 ILE 53 2HG1 ILE 53 -7.427 -27.064 4.808 395 2HG1 ILE 53 1HG1 ILE 53 -8.481 -28.462 4.999 396 1HG2 ILE 53 2HG2 ILE 53 -7.850 -25.603 8.050 397 2HG2 ILE 53 1HG2 ILE 53 -7.344 -25.340 6.380 398 3HG2 ILE 53 3HG2 ILE 53 -9.036 -25.128 6.834 399 1HD1 ILE 53 1HD1 ILE 53 -9.542 -25.631 4.920 400 2HD1 ILE 53 3HD1 ILE 53 -9.358 -26.615 3.468 401 3HD1 ILE 53 2HD1 ILE 53 -10.449 -27.134 4.752 402 H ASP 54 H ASP 54 -8.674 -29.210 9.185 403 HA ASP 54 HA ASP 54 -8.490 -27.317 11.310 404 1HB ASP 54 2HB ASP 54 -10.064 -29.397 10.898 405 2HB ASP 54 1HB ASP 54 -8.824 -30.258 11.798 406 H THR 55 H THR 55 -6.404 -26.727 11.888 407 HA THR 55 HA THR 55 -4.222 -28.622 12.044 408 HB THR 55 HB THR 55 -2.974 -26.736 13.052 409 HG1 THR 55 HG1 THR 55 -4.117 -24.772 13.303 410 1HG2 THR 55 1HG2 THR 55 -4.706 -26.070 10.659 411 2HG2 THR 55 3HG2 THR 55 -3.283 -25.146 11.137 412 3HG2 THR 55 2HG2 THR 55 -3.115 -26.828 10.632 413 H ASP 56 H ASP 56 -6.174 -26.965 14.531 414 HA ASP 56 HA ASP 56 -4.837 -28.541 16.630 415 1HB ASP 56 2HB ASP 56 -6.029 -27.213 18.204 416 2HB ASP 56 1HB ASP 56 -5.584 -26.111 16.902 417 H GLY 57 H GLY 57 -7.879 -28.544 14.879 418 1HA GLY 57 1HA GLY 57 -8.424 -31.220 16.025 419 2HA GLY 57 2HA GLY 57 -9.186 -30.548 14.590 420 H ASP 58 H ASP 58 -9.783 -27.967 16.077 421 HA ASP 58 HA ASP 58 -11.605 -28.839 18.211 422 1HB ASP 58 2HB ASP 58 -12.097 -26.515 18.542 423 2HB ASP 58 1HB ASP 58 -10.366 -26.622 18.233 424 H GLY 59 H GLY 59 -11.760 -28.888 14.892 425 1HA GLY 59 1HA GLY 59 -14.726 -28.990 15.003 426 2HA GLY 59 2HA GLY 59 -13.726 -29.722 13.752 427 H PHE 60 H PHE 60 -12.562 -26.638 14.404 428 HA PHE 60 HA PHE 60 -14.053 -25.584 12.044 429 1HB PHE 60 2HB PHE 60 -13.319 -23.899 14.443 430 2HB PHE 60 1HB PHE 60 -14.336 -23.445 13.076 431 HD1 PHE 60 HD1 PHE 60 -16.540 -24.620 12.730 432 HD2 PHE 60 HD2 PHE 60 -14.215 -25.063 16.311 433 HE1 PHE 60 HE1 PHE 60 -18.534 -25.485 13.916 434 HE2 PHE 60 HE2 PHE 60 -16.209 -25.925 17.500 435 HZ PHE 60 HZ PHE 60 -18.371 -26.139 16.304 436 H ILE 61 H ILE 61 -12.931 -23.961 10.819 437 HA ILE 61 HA ILE 61 -9.984 -24.097 11.156 438 HB ILE 61 HB ILE 61 -11.548 -23.205 8.723 439 1HG1 ILE 61 2HG1 ILE 61 -12.128 -25.531 9.222 440 2HG1 ILE 61 1HG1 ILE 61 -11.055 -25.475 7.824 441 1HG2 ILE 61 1HG2 ILE 61 -9.121 -22.523 9.019 442 2HG2 ILE 61 3HG2 ILE 61 -8.712 -24.236 8.967 443 3HG2 ILE 61 2HG2 ILE 61 -9.455 -23.465 7.567 444 1HD1 ILE 61 1HD1 ILE 61 -9.123 -25.875 9.412 445 2HD1 ILE 61 3HD1 ILE 61 -10.313 -26.165 10.680 446 3HD1 ILE 61 2HD1 ILE 61 -10.249 -27.228 9.273 447 H SER 62 H SER 62 -8.983 -22.230 11.802 448 HA SER 62 HA SER 62 -10.619 -19.771 11.990 449 1HB SER 62 2HB SER 62 -8.195 -19.131 13.089 450 2HB SER 62 1HB SER 62 -9.539 -19.821 13.999 451 HG SER 62 HG SER 62 -7.149 -20.927 13.302 452 H PHE 63 H PHE 63 -9.415 -17.687 11.403 453 HA PHE 63 HA PHE 63 -8.711 -17.703 8.669 454 1HB PHE 63 2HB PHE 63 -9.326 -15.637 9.886 455 2HB PHE 63 1HB PHE 63 -7.807 -15.722 10.783 456 HD1 PHE 63 HD1 PHE 63 -8.802 -16.197 7.201 457 HD2 PHE 63 HD2 PHE 63 -6.221 -14.204 9.994 458 HE1 PHE 63 HE1 PHE 63 -7.635 -15.079 5.323 459 HE2 PHE 63 HE2 PHE 63 -5.051 -13.086 8.116 460 HZ PHE 63 HZ PHE 63 -5.763 -13.522 5.778 461 H GLN 64 H GLN 64 -6.661 -17.833 11.556 462 HA GLN 64 HA GLN 64 -4.144 -17.790 10.230 463 1HB GLN 64 2HB GLN 64 -4.544 -17.570 12.713 464 2HB GLN 64 1HB GLN 64 -4.845 -19.307 12.760 465 1HG GLN 64 2HG GLN 64 -2.529 -18.992 13.334 466 2HG GLN 64 1HG GLN 64 -2.564 -19.622 11.687 467 1HE2 GLN 64 1HE2 GLN 64 -1.473 -18.392 10.128 468 2HE2 GLN 64 2HE2 GLN 64 -0.960 -16.790 10.350 469 H GLU 65 H GLU 65 -6.164 -20.553 11.276 470 HA GLU 65 HA GLU 65 -4.496 -22.613 10.259 471 1HB GLU 65 2HB GLU 65 -7.410 -22.365 10.888 472 2HB GLU 65 1HB GLU 65 -6.867 -23.775 9.987 473 1HG GLU 65 2HG GLU 65 -5.265 -24.325 11.754 474 2HG GLU 65 1HG GLU 65 -5.711 -22.868 12.640 475 H PHE 66 H PHE 66 -7.202 -20.872 8.742 476 HA PHE 66 HA PHE 66 -7.065 -22.231 6.227 477 1HB PHE 66 2HB PHE 66 -8.983 -20.813 6.986 478 2HB PHE 66 1HB PHE 66 -7.971 -19.386 6.755 479 HD1 PHE 66 HD1 PHE 66 -7.142 -18.791 4.479 480 HD2 PHE 66 HD2 PHE 66 -9.952 -21.976 5.118 481 HE1 PHE 66 HE1 PHE 66 -7.717 -18.769 2.065 482 HE2 PHE 66 HE2 PHE 66 -10.527 -21.955 2.706 483 HZ PHE 66 HZ PHE 66 -9.409 -20.351 1.180 484 H THR 67 H THR 67 -5.413 -19.385 7.507 485 HA THR 67 HA THR 67 -4.185 -18.585 5.035 486 HB THR 67 HB THR 67 -3.310 -18.163 7.910 487 HG1 THR 67 HG1 THR 67 -4.718 -16.626 7.860 488 1HG2 THR 67 1HG2 THR 67 -2.358 -16.898 5.325 489 2HG2 THR 67 3HG2 THR 67 -1.960 -16.294 6.934 490 3HG2 THR 67 2HG2 THR 67 -1.402 -17.889 6.427 491 H ASP 68 H ASP 68 -2.995 -20.568 7.762 492 HA ASP 68 HA ASP 68 -0.459 -21.179 6.604 493 1HB ASP 68 2HB ASP 68 -2.129 -22.864 8.496 494 2HB ASP 68 1HB ASP 68 -0.401 -23.057 8.197 495 H PHE 69 H PHE 69 -3.632 -22.712 6.298 496 HA PHE 69 HA PHE 69 -2.664 -24.956 4.749 497 1HB PHE 69 2HB PHE 69 -4.700 -25.530 5.625 498 2HB PHE 69 1HB PHE 69 -5.274 -23.866 5.638 499 HD1 PHE 69 HD1 PHE 69 -5.865 -22.794 3.385 500 HD2 PHE 69 HD2 PHE 69 -5.413 -27.022 3.953 501 HE1 PHE 69 HE1 PHE 69 -7.164 -23.210 1.310 502 HE2 PHE 69 HE2 PHE 69 -6.706 -27.444 1.885 503 HZ PHE 69 HZ PHE 69 -7.586 -25.539 0.559 504 H GLY 70 H GLY 70 -4.063 -21.790 3.993 505 1HA GLY 70 1HA GLY 70 -4.015 -20.556 1.994 506 2HA GLY 70 2HA GLY 70 -4.338 -22.094 1.192 507 H ARG 71 H ARG 71 -1.496 -21.606 3.178 508 HA ARG 71 HA ARG 71 0.285 -20.880 1.013 509 1HB ARG 71 2HB ARG 71 0.871 -22.112 3.725 510 2HB ARG 71 1HB ARG 71 2.085 -21.443 2.634 511 1HG ARG 71 2HG ARG 71 0.825 -19.256 2.711 512 2HG ARG 71 1HG ARG 71 -0.191 -19.954 3.973 513 1HD ARG 71 2HD ARG 71 2.820 -19.590 4.087 514 2HD ARG 71 1HD ARG 71 1.623 -18.671 5.000 515 HE ARG 71 HE ARG 71 1.762 -21.620 5.382 516 1HH1 ARG 71 1HH1 ARG 71 0.652 -18.852 6.774 517 2HH1 ARG 71 2HH1 ARG 71 1.400 -19.082 8.320 518 1HH2 ARG 71 1HH2 ARG 71 3.373 -21.731 7.267 519 2HH2 ARG 71 2HH2 ARG 71 2.941 -20.712 8.599 520 H ALA 72 H ALA 72 -1.071 -23.842 2.163 521 HA ALA 72 HA ALA 72 0.966 -25.562 0.955 522 1HB ALA 72 2HB ALA 72 0.002 -27.042 2.350 523 2HB ALA 72 3HB ALA 72 -1.458 -26.994 1.362 524 3HB ALA 72 1HB ALA 72 -1.277 -25.886 2.722 525 H ASN 73 H ASN 73 -1.997 -24.024 -0.031 526 HA ASN 73 HA ASN 73 -1.607 -25.127 -2.756 527 1HB ASN 73 2HB ASN 73 -4.390 -25.046 -1.618 528 2HB ASN 73 1HB ASN 73 -3.775 -25.984 -2.979 529 1HD2 ASN 73 1HD2 ASN 73 -4.515 -26.131 0.360 530 2HD2 ASN 73 2HD2 ASN 73 -3.737 -27.599 0.706 531 H ARG 74 H ARG 74 -0.859 -22.643 -2.292 532 HA ARG 74 HA ARG 74 -2.721 -20.551 -2.163 533 1HB ARG 74 2HB ARG 74 -0.214 -20.685 -3.869 534 2HB ARG 74 1HB ARG 74 -1.073 -19.207 -3.434 535 1HG ARG 74 2HG ARG 74 -0.684 -19.701 -1.036 536 2HG ARG 74 1HG ARG 74 0.207 -21.154 -1.490 537 1HD ARG 74 2HD ARG 74 1.871 -19.484 -1.140 538 2HD ARG 74 1HD ARG 74 1.702 -19.606 -2.890 539 HE ARG 74 HE ARG 74 -0.086 -17.595 -1.915 540 1HH1 ARG 74 1HH1 ARG 74 2.879 -17.505 -0.686 541 2HH1 ARG 74 2HH1 ARG 74 3.505 -16.203 -1.641 542 1HH2 ARG 74 1HH2 ARG 74 0.874 -16.245 -3.899 543 2HH2 ARG 74 2HH2 ARG 74 2.371 -15.491 -3.462 544 H GLY 75 H GLY 75 -1.753 -22.528 -4.922 545 1HA GLY 75 1HA GLY 75 -2.758 -22.829 -7.005 546 2HA GLY 75 2HA GLY 75 -3.155 -21.112 -6.948 547 H LEU 76 H LEU 76 -4.247 -23.308 -4.456 548 HA LEU 76 HA LEU 76 -6.819 -23.907 -5.627 549 1HB LEU 76 2HB LEU 76 -5.742 -24.027 -2.806 550 2HB LEU 76 1HB LEU 76 -7.414 -24.442 -3.184 551 HG LEU 76 HG LEU 76 -4.956 -25.727 -4.417 552 1HD1 LEU 76 3HD1 LEU 76 -6.051 -26.163 -1.913 553 2HD1 LEU 76 2HD1 LEU 76 -6.850 -27.383 -2.904 554 3HD1 LEU 76 1HD1 LEU 76 -5.089 -27.330 -2.821 555 1HD2 LEU 76 1HD2 LEU 76 -7.782 -25.664 -5.153 556 2HD2 LEU 76 3HD2 LEU 76 -6.404 -26.280 -6.065 557 3HD2 LEU 76 2HD2 LEU 76 -7.205 -27.308 -4.877 558 H LEU 77 H LEU 77 -5.722 -21.500 -3.257 559 HA LEU 77 HA LEU 77 -8.270 -20.326 -2.781 560 1HB LEU 77 2HB LEU 77 -5.445 -19.301 -2.524 561 2HB LEU 77 1HB LEU 77 -6.837 -18.298 -2.115 562 HG LEU 77 HG LEU 77 -7.619 -20.058 -0.558 563 1HD1 LEU 77 3HD1 LEU 77 -5.076 -21.412 -1.460 564 2HD1 LEU 77 2HD1 LEU 77 -5.924 -21.860 0.020 565 3HD1 LEU 77 1HD1 LEU 77 -6.722 -22.039 -1.543 566 1HD2 LEU 77 2HD2 LEU 77 -4.807 -19.006 -0.191 567 2HD2 LEU 77 1HD2 LEU 77 -6.305 -18.326 0.445 568 3HD2 LEU 77 3HD2 LEU 77 -5.682 -19.845 1.090 569 H LYS 78 H LYS 78 -5.762 -19.597 -5.190 570 HA LYS 78 HA LYS 78 -7.062 -17.271 -6.255 571 1HB LYS 78 2HB LYS 78 -5.168 -19.228 -7.593 572 2HB LYS 78 1HB LYS 78 -5.608 -17.644 -8.232 573 1HG LYS 78 2HG LYS 78 -4.793 -16.720 -5.956 574 2HG LYS 78 1HG LYS 78 -4.016 -18.291 -5.751 575 1HD LYS 78 2HD LYS 78 -3.609 -16.493 -8.159 576 2HD LYS 78 1HD LYS 78 -2.512 -16.563 -6.781 577 1HE LYS 78 2HE LYS 78 -1.645 -18.573 -7.417 578 2HE LYS 78 1HE LYS 78 -3.213 -19.191 -7.938 579 1HZ LYS 78 1HZ LYS 78 -2.797 -17.312 -9.766 580 2HZ LYS 78 3HZ LYS 78 -1.190 -17.750 -9.446 581 3HZ LYS 78 2HZ LYS 78 -2.304 -18.925 -9.963 582 H ASP 79 H ASP 79 -7.701 -20.651 -6.549 583 HA ASP 79 HA ASP 79 -9.327 -20.262 -8.994 584 1HB ASP 79 2HB ASP 79 -8.222 -22.594 -7.518 585 2HB ASP 79 1HB ASP 79 -9.762 -22.842 -8.340 586 H VAL 80 H VAL 80 -9.787 -21.566 -5.699 587 HA VAL 80 HA VAL 80 -12.648 -21.642 -5.875 588 HB VAL 80 HB VAL 80 -11.080 -22.796 -4.175 589 1HG1 VAL 80 1HG1 VAL 80 -9.950 -20.716 -3.446 590 2HG1 VAL 80 3HG1 VAL 80 -11.477 -20.137 -2.781 591 3HG1 VAL 80 2HG1 VAL 80 -10.700 -21.564 -2.095 592 1HG2 VAL 80 2HG2 VAL 80 -13.688 -21.444 -3.489 593 2HG2 VAL 80 1HG2 VAL 80 -13.412 -23.132 -3.916 594 3HG2 VAL 80 3HG2 VAL 80 -12.888 -22.522 -2.346 595 H ALA 81 H ALA 81 -10.392 -19.264 -4.532 596 HA ALA 81 HA ALA 81 -12.253 -17.433 -3.472 597 1HB ALA 81 1HB ALA 81 -9.811 -17.200 -3.190 598 2HB ALA 81 3HB ALA 81 -9.654 -16.800 -4.899 599 3HB ALA 81 2HB ALA 81 -10.520 -15.712 -3.816 600 H LYS 82 H LYS 82 -11.202 -17.874 -6.825 601 HA LYS 82 HA LYS 82 -12.499 -15.532 -7.866 602 1HB LYS 82 2HB LYS 82 -11.516 -18.111 -9.066 603 2HB LYS 82 1HB LYS 82 -12.450 -16.979 -10.043 604 1HG LYS 82 2HG LYS 82 -10.754 -15.209 -9.063 605 2HG LYS 82 1HG LYS 82 -9.739 -16.628 -8.804 606 1HD LYS 82 2HD LYS 82 -10.350 -17.196 -11.286 607 2HD LYS 82 1HD LYS 82 -10.769 -15.486 -11.391 608 1HE LYS 82 2HE LYS 82 -8.594 -14.829 -11.311 609 2HE LYS 82 1HE LYS 82 -8.191 -16.011 -10.066 610 1HZ LYS 82 3HZ LYS 82 -8.812 -17.163 -12.634 611 2HZ LYS 82 2HZ LYS 82 -7.432 -16.172 -12.642 612 3HZ LYS 82 1HZ LYS 82 -7.526 -17.493 -11.578 613 H ILE 83 H ILE 83 -13.654 -18.700 -6.976 614 HA ILE 83 HA ILE 83 -16.036 -18.798 -8.521 615 HB ILE 83 HB ILE 83 -15.661 -19.809 -5.690 616 1HG1 ILE 83 2HG1 ILE 83 -14.857 -20.947 -8.374 617 2HG1 ILE 83 1HG1 ILE 83 -13.843 -20.693 -6.956 618 1HG2 ILE 83 1HG2 ILE 83 -17.487 -20.641 -7.964 619 2HG2 ILE 83 3HG2 ILE 83 -17.330 -21.506 -6.434 620 3HG2 ILE 83 2HG2 ILE 83 -17.979 -19.865 -6.458 621 1HD1 ILE 83 3HD1 ILE 83 -15.316 -22.364 -5.736 622 2HD1 ILE 83 2HD1 ILE 83 -16.057 -22.732 -7.294 623 3HD1 ILE 83 1HD1 ILE 83 -14.340 -23.044 -7.037 624 H PHE 84 H PHE 84 -15.377 -17.331 -5.364 625 HA PHE 84 HA PHE 84 -18.125 -16.287 -5.188 626 1HB PHE 84 2HB PHE 84 -15.698 -15.856 -3.419 627 2HB PHE 84 1HB PHE 84 -17.324 -15.273 -3.063 628 HD1 PHE 84 HD1 PHE 84 -15.257 -18.317 -3.566 629 HD2 PHE 84 HD2 PHE 84 -19.025 -16.742 -2.234 630 HE1 PHE 84 HE1 PHE 84 -15.834 -20.523 -2.590 631 HE2 PHE 84 HE2 PHE 84 -19.602 -18.949 -1.259 632 HZ PHE 84 HZ PHE 84 -18.006 -20.839 -1.438 No H/Q in entry = 632 Start of MODEL 13 1 H1 ALA 1 3H ALA 1 10.467 -12.435 -2.318 2 H2 ALA 1 2H ALA 1 11.187 -11.413 -1.167 3 H3 ALA 1 1H ALA 1 11.539 -13.077 -1.170 4 HA ALA 1 HA ALA 1 9.876 -13.463 0.214 5 1HB ALA 1 2HB ALA 1 10.389 -10.851 0.590 6 2HB ALA 1 1HB ALA 1 8.725 -10.720 0.019 7 3HB ALA 1 3HB ALA 1 9.093 -11.685 1.448 8 H ASP 2 H ASP 2 8.957 -14.725 -1.646 9 HA ASP 2 HA ASP 2 6.963 -13.677 -3.390 10 1HB ASP 2 2HB ASP 2 7.327 -16.476 -2.282 11 2HB ASP 2 1HB ASP 2 6.218 -16.064 -3.589 12 H ASP 3 H ASP 3 6.831 -14.694 -0.041 13 HA ASP 3 HA ASP 3 3.869 -14.551 -0.038 14 1HB ASP 3 2HB ASP 3 5.140 -16.352 1.223 15 2HB ASP 3 1HB ASP 3 5.714 -15.083 2.305 16 H HIS 4 H HIS 4 3.118 -12.477 0.036 17 HA HIS 4 HA HIS 4 4.470 -10.594 1.929 18 1HB HIS 4 2HB HIS 4 2.980 -8.981 0.271 19 2HB HIS 4 1HB HIS 4 4.697 -9.308 0.067 20 HD1 HIS 4 HD1 HIS 4 1.319 -10.577 -1.124 21 HD2 HIS 4 HD2 HIS 4 5.333 -10.741 -2.240 22 HE1 HIS 4 HE1 HIS 4 1.385 -11.685 -3.401 23 HA PRO 5 HA PRO 5 0.677 -9.986 4.134 24 1HB PRO 5 2HB PRO 5 0.372 -7.300 4.248 25 2HB PRO 5 1HB PRO 5 1.591 -8.168 5.187 26 1HG PRO 5 2HG PRO 5 1.890 -6.679 2.602 27 2HG PRO 5 1HG PRO 5 2.940 -6.658 4.023 28 1HD PRO 5 1HD PRO 5 3.541 -8.125 1.842 29 2HD PRO 5 2HD PRO 5 3.946 -8.673 3.470 30 H GLN 6 H GLN 6 0.961 -8.486 0.992 31 HA GLN 6 HA GLN 6 -1.739 -7.617 0.662 32 1HB GLN 6 2HB GLN 6 0.502 -8.368 -1.186 33 2HB GLN 6 1HB GLN 6 -1.116 -8.147 -1.851 34 1HG GLN 6 2HG GLN 6 -1.225 -5.885 -1.100 35 2HG GLN 6 1HG GLN 6 0.179 -6.091 -0.053 36 1HE2 GLN 6 1HE2 GLN 6 2.142 -7.127 -1.588 37 2HE2 GLN 6 2HE2 GLN 6 2.437 -6.192 -2.974 38 H ASP 7 H ASP 7 -0.141 -10.724 0.075 39 HA ASP 7 HA ASP 7 -2.335 -12.042 -1.172 40 1HB ASP 7 2HB ASP 7 -0.074 -13.079 0.549 41 2HB ASP 7 1HB ASP 7 -1.253 -14.145 -0.214 42 H LYS 8 H LYS 8 -1.479 -11.674 2.252 43 HA LYS 8 HA LYS 8 -3.449 -13.314 3.404 44 1HB LYS 8 2HB LYS 8 -2.070 -10.798 4.273 45 2HB LYS 8 1HB LYS 8 -3.420 -11.403 5.235 46 1HG LYS 8 2HG LYS 8 -2.167 -13.702 5.039 47 2HG LYS 8 1HG LYS 8 -0.765 -12.697 4.674 48 1HD LYS 8 2HD LYS 8 -1.352 -11.370 6.784 49 2HD LYS 8 1HD LYS 8 -2.463 -12.681 7.177 50 1HE LYS 8 2HE LYS 8 -0.759 -14.191 7.569 51 2HE LYS 8 1HE LYS 8 0.334 -13.414 6.424 52 1HZ LYS 8 3HZ LYS 8 -0.473 -12.210 9.012 53 2HZ LYS 8 2HZ LYS 8 0.951 -13.111 8.792 54 3HZ LYS 8 1HZ LYS 8 0.726 -11.651 7.952 55 H ALA 9 H ALA 9 -3.722 -10.055 2.078 56 HA ALA 9 HA ALA 9 -6.334 -9.435 2.992 57 1HB ALA 9 3HB ALA 9 -5.064 -8.715 0.331 58 2HB ALA 9 2HB ALA 9 -6.460 -7.914 1.054 59 3HB ALA 9 1HB ALA 9 -4.880 -7.801 1.827 60 H GLU 10 H GLU 10 -5.256 -11.145 0.073 61 HA GLU 10 HA GLU 10 -7.905 -11.670 -0.922 62 1HB GLU 10 2HB GLU 10 -5.419 -13.343 -1.377 63 2HB GLU 10 1HB GLU 10 -6.845 -13.258 -2.411 64 1HG GLU 10 2HG GLU 10 -6.354 -10.760 -2.644 65 2HG GLU 10 1HG GLU 10 -4.791 -11.095 -1.899 66 H ARG 11 H ARG 11 -5.653 -13.558 1.066 67 HA ARG 11 HA ARG 11 -7.333 -15.860 1.355 68 1HB ARG 11 2HB ARG 11 -5.099 -14.721 3.042 69 2HB ARG 11 1HB ARG 11 -5.924 -16.220 3.462 70 1HG ARG 11 2HG ARG 11 -5.372 -17.050 1.130 71 2HG ARG 11 1HG ARG 11 -4.353 -15.627 0.940 72 1HD ARG 11 2HD ARG 11 -4.053 -17.581 3.234 73 2HD ARG 11 1HD ARG 11 -3.143 -17.715 1.728 74 HE ARG 11 HE ARG 11 -2.838 -15.068 2.710 75 1HH1 ARG 11 1HH1 ARG 11 -2.223 -18.286 3.765 76 2HH1 ARG 11 2HH1 ARG 11 -0.693 -17.903 4.480 77 1HH2 ARG 11 1HH2 ARG 11 -0.771 -14.575 3.513 78 2HH2 ARG 11 2HH2 ARG 11 0.128 -15.803 4.338 79 H GLU 12 H GLU 12 -7.022 -12.872 3.215 80 HA GLU 12 HA GLU 12 -8.786 -13.632 5.346 81 1HB GLU 12 2HB GLU 12 -7.717 -11.042 4.279 82 2HB GLU 12 1HB GLU 12 -9.053 -11.000 5.426 83 1HG GLU 12 2HG GLU 12 -7.635 -12.577 6.881 84 2HG GLU 12 1HG GLU 12 -6.290 -12.152 5.821 85 H ARG 13 H ARG 13 -9.323 -11.949 2.265 86 HA ARG 13 HA ARG 13 -12.124 -11.463 2.703 87 1HB ARG 13 2HB ARG 13 -10.592 -11.768 0.103 88 2HB ARG 13 1HB ARG 13 -12.215 -11.098 0.256 89 1HG ARG 13 2HG ARG 13 -11.428 -9.228 1.510 90 2HG ARG 13 1HG ARG 13 -9.853 -9.972 1.771 91 1HD ARG 13 2HD ARG 13 -9.450 -8.424 0.033 92 2HD ARG 13 1HD ARG 13 -9.652 -9.956 -0.817 93 HE ARG 13 HE ARG 13 -12.104 -9.167 -1.118 94 1HH1 ARG 13 1HH1 ARG 13 -9.784 -7.882 -2.784 95 2HH1 ARG 13 2HH1 ARG 13 -10.310 -6.231 -2.788 96 1HH2 ARG 13 1HH2 ARG 13 -12.625 -6.686 -0.247 97 2HH2 ARG 13 2HH2 ARG 13 -11.918 -5.554 -1.352 98 H ILE 14 H ILE 14 -10.320 -14.111 1.195 99 HA ILE 14 HA ILE 14 -12.672 -15.565 0.348 100 HB ILE 14 HB ILE 14 -9.892 -16.626 0.941 101 1HG1 ILE 14 2HG1 ILE 14 -10.933 -15.891 -1.782 102 2HG1 ILE 14 1HG1 ILE 14 -10.214 -14.655 -0.752 103 1HG2 ILE 14 2HG2 ILE 14 -12.260 -17.968 0.331 104 2HG2 ILE 14 1HG2 ILE 14 -11.428 -17.846 -1.219 105 3HG2 ILE 14 3HG2 ILE 14 -10.628 -18.611 0.154 106 1HD1 ILE 14 3HD1 ILE 14 -8.674 -17.170 -0.920 107 2HD1 ILE 14 2HD1 ILE 14 -8.784 -16.273 -2.434 108 3HD1 ILE 14 1HD1 ILE 14 -8.113 -15.501 -0.998 109 H PHE 15 H PHE 15 -10.494 -15.819 3.167 110 HA PHE 15 HA PHE 15 -11.881 -17.993 4.404 111 1HB PHE 15 2HB PHE 15 -9.630 -17.275 5.128 112 2HB PHE 15 1HB PHE 15 -10.302 -15.752 5.717 113 HD1 PHE 15 HD1 PHE 15 -10.133 -19.402 6.243 114 HD2 PHE 15 HD2 PHE 15 -11.685 -15.685 7.734 115 HE1 PHE 15 HE1 PHE 15 -10.740 -20.513 8.375 116 HE2 PHE 15 HE2 PHE 15 -12.292 -16.796 9.869 117 HZ PHE 15 HZ PHE 15 -11.823 -19.213 10.189 118 H LYS 16 H LYS 16 -12.367 -14.500 4.465 119 HA LYS 16 HA LYS 16 -14.340 -14.486 6.559 120 1HB LYS 16 2HB LYS 16 -13.641 -12.593 4.319 121 2HB LYS 16 1HB LYS 16 -15.043 -12.294 5.345 122 1HG LYS 16 2HG LYS 16 -13.554 -12.454 7.348 123 2HG LYS 16 1HG LYS 16 -12.171 -12.616 6.265 124 1HD LYS 16 2HD LYS 16 -12.825 -10.423 5.218 125 2HD LYS 16 1HD LYS 16 -14.058 -10.253 6.468 126 1HE LYS 16 2HE LYS 16 -11.066 -10.488 6.911 127 2HE LYS 16 1HE LYS 16 -12.049 -9.044 7.154 128 1HZ LYS 16 3HZ LYS 16 -13.373 -10.453 8.763 129 2HZ LYS 16 2HZ LYS 16 -12.094 -11.570 8.692 130 3HZ LYS 16 1HZ LYS 16 -11.818 -9.993 9.262 131 H ARG 17 H ARG 17 -14.464 -15.140 3.111 132 HA ARG 17 HA ARG 17 -17.330 -14.942 2.841 133 1HB ARG 17 2HB ARG 17 -15.194 -16.373 1.246 134 2HB ARG 17 1HB ARG 17 -16.900 -16.427 0.801 135 1HG ARG 17 2HG ARG 17 -16.854 -13.870 0.883 136 2HG ARG 17 1HG ARG 17 -15.098 -14.003 0.961 137 1HD ARG 17 2HD ARG 17 -15.292 -15.497 -1.128 138 2HD ARG 17 1HD ARG 17 -16.940 -14.887 -1.260 139 HE ARG 17 HE ARG 17 -15.830 -12.561 -1.298 140 1HH1 ARG 17 1HH1 ARG 17 -13.476 -14.930 -1.409 141 2HH1 ARG 17 2HH1 ARG 17 -12.737 -14.385 -2.877 142 1HH2 ARG 17 1HH2 ARG 17 -15.224 -12.075 -3.586 143 2HH2 ARG 17 2HH2 ARG 17 -13.726 -12.769 -4.110 144 H PHE 18 H PHE 18 -15.102 -17.558 3.676 145 HA PHE 18 HA PHE 18 -17.098 -19.639 3.677 146 1HB PHE 18 2HB PHE 18 -14.362 -19.376 4.921 147 2HB PHE 18 1HB PHE 18 -15.364 -20.803 5.186 148 HD1 PHE 18 HD1 PHE 18 -16.130 -22.170 3.217 149 HD2 PHE 18 HD2 PHE 18 -13.241 -19.012 2.840 150 HE1 PHE 18 HE1 PHE 18 -15.436 -23.067 1.012 151 HE2 PHE 18 HE2 PHE 18 -12.547 -19.911 0.635 152 HZ PHE 18 HZ PHE 18 -13.644 -21.938 -0.279 153 H ASP 19 H ASP 19 -15.625 -17.746 6.321 154 HA ASP 19 HA ASP 19 -17.134 -18.844 8.442 155 1HB ASP 19 2HB ASP 19 -15.208 -17.063 8.465 156 2HB ASP 19 1HB ASP 19 -16.525 -15.894 8.350 157 H ALA 20 H ALA 20 -19.333 -19.143 8.143 158 HA ALA 20 HA ALA 20 -21.015 -17.367 6.669 159 1HB ALA 20 2HB ALA 20 -21.520 -19.765 7.133 160 2HB ALA 20 1HB ALA 20 -21.824 -19.342 8.818 161 3HB ALA 20 3HB ALA 20 -22.857 -18.691 7.545 162 H ASN 21 H ASN 21 -20.740 -17.802 10.242 163 HA ASN 21 HA ASN 21 -22.396 -15.385 10.579 164 1HB ASN 21 2HB ASN 21 -22.337 -15.873 12.957 165 2HB ASN 21 1HB ASN 21 -22.704 -17.354 12.079 166 1HD2 ASN 21 1HD2 ASN 21 -21.482 -17.091 14.754 167 2HD2 ASN 21 2HD2 ASN 21 -19.976 -17.864 14.667 168 H GLY 22 H GLY 22 -19.054 -16.280 10.582 169 1HA GLY 22 1HA GLY 22 -18.325 -13.447 10.849 170 2HA GLY 22 2HA GLY 22 -17.223 -14.762 10.451 171 H ASP 23 H ASP 23 -17.768 -16.461 12.661 172 HA ASP 23 HA ASP 23 -17.158 -14.770 15.026 173 1HB ASP 23 2HB ASP 23 -17.499 -16.810 16.357 174 2HB ASP 23 1HB ASP 23 -18.888 -16.503 15.320 175 H GLY 24 H GLY 24 -15.423 -15.970 12.592 176 1HA GLY 24 1HA GLY 24 -13.009 -16.206 14.292 177 2HA GLY 24 2HA GLY 24 -13.018 -15.929 12.553 178 H LYS 25 H LYS 25 -15.199 -18.394 13.379 179 HA LYS 25 HA LYS 25 -13.154 -20.427 12.608 180 1HB LYS 25 2HB LYS 25 -14.089 -22.004 14.179 181 2HB LYS 25 1HB LYS 25 -13.775 -20.510 15.062 182 1HG LYS 25 2HG LYS 25 -16.097 -19.878 14.951 183 2HG LYS 25 1HG LYS 25 -16.459 -21.202 13.842 184 1HD LYS 25 2HD LYS 25 -15.667 -22.787 15.673 185 2HD LYS 25 1HD LYS 25 -15.667 -21.395 16.758 186 1HE LYS 25 2HE LYS 25 -17.805 -22.820 16.721 187 2HE LYS 25 1HE LYS 25 -18.014 -21.081 16.522 188 1HZ LYS 25 3HZ LYS 25 -17.649 -22.776 14.150 189 2HZ LYS 25 2HZ LYS 25 -19.173 -22.711 14.900 190 3HZ LYS 25 1HZ LYS 25 -18.458 -21.293 14.296 191 H ILE 26 H ILE 26 -13.837 -21.964 11.149 192 HA ILE 26 HA ILE 26 -16.598 -21.599 10.058 193 HB ILE 26 HB ILE 26 -14.312 -22.858 8.552 194 1HG1 ILE 26 2HG1 ILE 26 -14.983 -19.909 8.784 195 2HG1 ILE 26 1HG1 ILE 26 -13.475 -20.685 9.270 196 1HG2 ILE 26 1HG2 ILE 26 -16.852 -21.396 7.771 197 2HG2 ILE 26 3HG2 ILE 26 -15.643 -21.973 6.626 198 3HG2 ILE 26 2HG2 ILE 26 -16.543 -23.125 7.611 199 1HD1 ILE 26 3HD1 ILE 26 -14.155 -21.325 6.515 200 2HD1 ILE 26 2HD1 ILE 26 -14.042 -19.582 6.759 201 3HD1 ILE 26 1HD1 ILE 26 -12.674 -20.620 7.161 202 H SER 27 H SER 27 -17.917 -23.369 10.034 203 HA SER 27 HA SER 27 -16.762 -25.935 11.022 204 1HB SER 27 2HB SER 27 -18.859 -26.431 11.965 205 2HB SER 27 1HB SER 27 -18.728 -24.691 12.216 206 HG SER 27 HG SER 27 -20.575 -24.697 11.209 207 H ALA 28 H ALA 28 -17.895 -27.920 10.042 208 HA ALA 28 HA ALA 28 -17.524 -28.027 7.271 209 1HB ALA 28 1HB ALA 28 -19.701 -29.677 8.523 210 2HB ALA 28 3HB ALA 28 -18.488 -30.157 7.336 211 3HB ALA 28 2HB ALA 28 -18.028 -29.929 9.024 212 H ALA 29 H ALA 29 -20.543 -27.399 9.046 213 HA ALA 29 HA ALA 29 -22.243 -27.155 6.797 214 1HB ALA 29 2HB ALA 29 -22.724 -27.057 9.403 215 2HB ALA 29 1HB ALA 29 -22.601 -25.317 9.135 216 3HB ALA 29 3HB ALA 29 -23.808 -26.262 8.261 217 H GLU 30 H GLU 30 -20.093 -24.783 8.323 218 HA GLU 30 HA GLU 30 -20.975 -22.630 6.576 219 1HB GLU 30 2HB GLU 30 -18.522 -22.887 8.340 220 2HB GLU 30 1HB GLU 30 -19.010 -21.409 7.511 221 1HG GLU 30 2HG GLU 30 -21.182 -21.474 8.722 222 2HG GLU 30 1HG GLU 30 -20.638 -22.911 9.587 223 H LEU 31 H LEU 31 -17.944 -24.524 6.787 224 HA LEU 31 HA LEU 31 -16.852 -23.495 4.354 225 1HB LEU 31 2HB LEU 31 -15.395 -24.650 5.893 226 2HB LEU 31 1HB LEU 31 -16.387 -26.106 5.822 227 HG LEU 31 HG LEU 31 -15.874 -26.207 3.338 228 1HD1 LEU 31 2HD1 LEU 31 -14.380 -23.777 4.137 229 2HD1 LEU 31 1HD1 LEU 31 -13.502 -24.892 3.089 230 3HD1 LEU 31 3HD1 LEU 31 -15.048 -24.223 2.566 231 1HD2 LEU 31 1HD2 LEU 31 -14.585 -27.331 5.379 232 2HD2 LEU 31 3HD2 LEU 31 -13.979 -27.483 3.729 233 3HD2 LEU 31 2HD2 LEU 31 -13.275 -26.290 4.820 234 H GLY 32 H GLY 32 -18.852 -26.344 5.045 235 1HA GLY 32 1HA GLY 32 -20.085 -27.723 3.600 236 2HA GLY 32 2HA GLY 32 -18.864 -27.378 2.378 237 H GLU 33 H GLU 33 -21.075 -25.160 4.078 238 HA GLU 33 HA GLU 33 -22.941 -24.828 1.977 239 1HB GLU 33 2HB GLU 33 -22.107 -23.236 4.351 240 2HB GLU 33 1HB GLU 33 -23.016 -22.388 3.101 241 1HG GLU 33 2HG GLU 33 -24.728 -24.234 3.198 242 2HG GLU 33 1HG GLU 33 -23.860 -24.893 4.584 243 H ALA 34 H ALA 34 -19.903 -23.083 2.624 244 HA ALA 34 HA ALA 34 -20.228 -21.354 0.310 245 1HB ALA 34 2HB ALA 34 -18.731 -20.340 1.727 246 2HB ALA 34 1HB ALA 34 -18.127 -21.875 2.349 247 3HB ALA 34 3HB ALA 34 -17.563 -21.272 0.791 248 H LEU 35 H LEU 35 -18.513 -24.359 1.030 249 HA LEU 35 HA LEU 35 -17.128 -24.622 -1.437 250 1HB LEU 35 2HB LEU 35 -18.053 -26.516 0.689 251 2HB LEU 35 1HB LEU 35 -17.467 -27.178 -0.835 252 HG LEU 35 HG LEU 35 -15.963 -25.283 0.992 253 1HD1 LEU 35 3HD1 LEU 35 -15.683 -28.218 0.312 254 2HD1 LEU 35 2HD1 LEU 35 -14.375 -27.286 1.041 255 3HD1 LEU 35 1HD1 LEU 35 -15.899 -27.492 1.905 256 1HD2 LEU 35 3HD2 LEU 35 -15.416 -26.344 -1.774 257 2HD2 LEU 35 2HD2 LEU 35 -15.268 -24.691 -1.179 258 3HD2 LEU 35 1HD2 LEU 35 -14.087 -25.910 -0.699 259 H LYS 36 H LYS 36 -20.471 -25.351 -0.536 260 HA LYS 36 HA LYS 36 -21.292 -27.016 -2.600 261 1HB LYS 36 2HB LYS 36 -22.558 -24.969 -0.928 262 2HB LYS 36 1HB LYS 36 -23.337 -25.146 -2.502 263 1HG LYS 36 2HG LYS 36 -23.596 -27.545 -2.149 264 2HG LYS 36 1HG LYS 36 -22.704 -27.448 -0.630 265 1HD LYS 36 2HD LYS 36 -24.680 -25.531 -0.312 266 2HD LYS 36 1HD LYS 36 -25.514 -26.815 -1.189 267 1HE LYS 36 2HE LYS 36 -25.258 -28.341 0.525 268 2HE LYS 36 1HE LYS 36 -23.755 -27.611 1.092 269 1HZ LYS 36 1HZ LYS 36 -25.987 -25.836 1.313 270 2HZ LYS 36 3HZ LYS 36 -26.222 -27.265 2.197 271 3HZ LYS 36 2HZ LYS 36 -24.853 -26.302 2.490 272 H THR 37 H THR 37 -20.211 -23.713 -2.834 273 HA THR 37 HA THR 37 -21.359 -22.874 -5.252 274 HB THR 37 HB THR 37 -19.762 -21.574 -3.742 275 HG1 THR 37 HG1 THR 37 -19.751 -20.293 -5.383 276 1HG2 THR 37 2HG2 THR 37 -18.048 -23.604 -4.139 277 2HG2 THR 37 1HG2 THR 37 -17.520 -22.541 -5.442 278 3HG2 THR 37 3HG2 THR 37 -17.503 -21.968 -3.774 279 H LEU 38 H LEU 38 -19.048 -25.389 -4.670 280 HA LEU 38 HA LEU 38 -17.832 -25.557 -7.241 281 1HB LEU 38 2HB LEU 38 -18.477 -27.682 -5.183 282 2HB LEU 38 1HB LEU 38 -17.557 -28.015 -6.649 283 HG LEU 38 HG LEU 38 -16.826 -26.111 -4.410 284 1HD1 LEU 38 3HD1 LEU 38 -16.349 -28.626 -4.264 285 2HD1 LEU 38 2HD1 LEU 38 -15.234 -28.386 -5.609 286 3HD1 LEU 38 1HD1 LEU 38 -14.958 -27.557 -4.076 287 1HD2 LEU 38 3HD2 LEU 38 -15.711 -26.422 -7.202 288 2HD2 LEU 38 2HD2 LEU 38 -16.209 -24.941 -6.385 289 3HD2 LEU 38 1HD2 LEU 38 -14.738 -25.775 -5.882 290 H GLY 39 H GLY 39 -20.949 -26.669 -6.044 291 1HA GLY 39 1HA GLY 39 -21.999 -26.872 -8.735 292 2HA GLY 39 2HA GLY 39 -22.854 -27.324 -7.261 293 H SER 40 H SER 40 -20.010 -28.923 -7.022 294 HA SER 40 HA SER 40 -21.234 -31.441 -7.912 295 1HB SER 40 2HB SER 40 -19.166 -30.041 -9.457 296 2HB SER 40 1HB SER 40 -18.738 -31.706 -9.060 297 HG SER 40 HG SER 40 -20.953 -32.198 -9.816 298 H ILE 41 H ILE 41 -20.855 -31.097 -5.363 299 HA ILE 41 HA ILE 41 -18.457 -32.721 -4.749 300 HB ILE 41 HB ILE 41 -17.977 -30.195 -4.463 301 1HG1 ILE 41 2HG1 ILE 41 -17.631 -31.723 -1.898 302 2HG1 ILE 41 1HG1 ILE 41 -16.830 -32.282 -3.366 303 1HG2 ILE 41 2HG2 ILE 41 -20.341 -30.129 -3.169 304 2HG2 ILE 41 1HG2 ILE 41 -19.277 -30.426 -1.794 305 3HG2 ILE 41 3HG2 ILE 41 -19.033 -29.002 -2.807 306 1HD1 ILE 41 2HD1 ILE 41 -16.625 -29.395 -2.538 307 2HD1 ILE 41 1HD1 ILE 41 -15.570 -30.604 -1.805 308 3HD1 ILE 41 3HD1 ILE 41 -15.528 -30.338 -3.548 309 H THR 42 H THR 42 -18.572 -33.299 -2.274 310 HA THR 42 HA THR 42 -21.440 -33.734 -1.543 311 HB THR 42 HB THR 42 -21.111 -35.971 -1.335 312 HG1 THR 42 HG1 THR 42 -19.247 -36.780 -0.248 313 1HG2 THR 42 2HG2 THR 42 -19.903 -35.497 -3.478 314 2HG2 THR 42 1HG2 THR 42 -18.394 -35.445 -2.564 315 3HG2 THR 42 3HG2 THR 42 -19.322 -36.943 -2.653 316 HA PRO 43 HA PRO 43 -20.450 -32.107 2.452 317 1HB PRO 43 2HB PRO 43 -21.753 -33.769 4.141 318 2HB PRO 43 1HB PRO 43 -22.591 -32.591 3.128 319 1HG PRO 43 2HG PRO 43 -22.193 -35.528 2.692 320 2HG PRO 43 1HG PRO 43 -23.648 -34.555 2.446 321 1HD PRO 43 1HD PRO 43 -22.047 -35.287 0.393 322 2HD PRO 43 2HD PRO 43 -22.921 -33.754 0.401 323 H ASP 44 H ASP 44 -20.007 -35.581 2.006 324 HA ASP 44 HA ASP 44 -18.316 -35.997 4.285 325 1HB ASP 44 2HB ASP 44 -18.491 -37.521 1.669 326 2HB ASP 44 1HB ASP 44 -17.660 -38.090 3.117 327 H GLU 45 H GLU 45 -17.702 -34.623 1.122 328 HA GLU 45 HA GLU 45 -14.809 -35.044 1.305 329 1HB GLU 45 2HB GLU 45 -16.548 -33.412 -0.567 330 2HB GLU 45 1HB GLU 45 -14.791 -33.497 -0.698 331 1HG GLU 45 2HG GLU 45 -15.046 -36.032 -0.792 332 2HG GLU 45 1HG GLU 45 -16.779 -35.762 -0.980 333 H VAL 46 H VAL 46 -17.144 -32.447 1.821 334 HA VAL 46 HA VAL 46 -15.185 -30.414 2.389 335 HB VAL 46 HB VAL 46 -18.112 -30.704 3.100 336 1HG1 VAL 46 2HG1 VAL 46 -16.144 -28.999 4.315 337 2HG1 VAL 46 1HG1 VAL 46 -17.237 -28.007 3.350 338 3HG1 VAL 46 3HG1 VAL 46 -17.882 -29.054 4.615 339 1HG2 VAL 46 1HG2 VAL 46 -16.620 -29.790 0.815 340 2HG2 VAL 46 3HG2 VAL 46 -18.369 -29.896 1.014 341 3HG2 VAL 46 2HG2 VAL 46 -17.514 -28.434 1.504 342 H LYS 47 H LYS 47 -16.906 -32.791 4.340 343 HA LYS 47 HA LYS 47 -16.011 -31.832 6.899 344 1HB LYS 47 2HB LYS 47 -17.887 -33.408 6.708 345 2HB LYS 47 1HB LYS 47 -16.807 -34.629 6.032 346 1HG LYS 47 2HG LYS 47 -15.508 -34.665 8.111 347 2HG LYS 47 1HG LYS 47 -16.521 -33.389 8.787 348 1HD LYS 47 2HD LYS 47 -17.473 -35.346 9.682 349 2HD LYS 47 1HD LYS 47 -18.495 -35.016 8.284 350 1HE LYS 47 2HE LYS 47 -16.286 -36.544 7.354 351 2HE LYS 47 1HE LYS 47 -16.883 -37.336 8.813 352 1HZ LYS 47 3HZ LYS 47 -18.842 -36.404 6.850 353 2HZ LYS 47 2HZ LYS 47 -17.947 -37.799 6.477 354 3HZ LYS 47 1HZ LYS 47 -18.900 -37.748 7.882 355 H HIS 48 H HIS 48 -14.705 -34.163 4.576 356 HA HIS 48 HA HIS 48 -12.505 -35.039 6.192 357 1HB HIS 48 2HB HIS 48 -13.195 -36.264 4.177 358 2HB HIS 48 1HB HIS 48 -12.755 -34.883 3.171 359 HD1 HIS 48 HD1 HIS 48 -11.431 -38.004 3.935 360 HD2 HIS 48 HD2 HIS 48 -9.786 -34.175 4.077 361 HE1 HIS 48 HE1 HIS 48 -8.916 -38.302 3.871 362 H MET 49 H MET 49 -12.887 -32.351 3.893 363 HA MET 49 HA MET 49 -10.193 -31.493 3.813 364 1HB MET 49 2HB MET 49 -12.839 -30.083 3.551 365 2HB MET 49 1HB MET 49 -11.341 -29.158 3.552 366 1HG MET 49 2HG MET 49 -10.547 -30.864 1.757 367 2HG MET 49 1HG MET 49 -12.259 -31.252 1.589 368 1HE MET 49 1HE MET 49 -13.225 -30.529 -0.333 369 2HE MET 49 3HE MET 49 -12.762 -29.147 -1.337 370 3HE MET 49 2HE MET 49 -11.622 -30.462 -1.061 371 H MET 50 H MET 50 -12.793 -30.752 6.104 372 HA MET 50 HA MET 50 -11.329 -28.928 7.731 373 1HB MET 50 2HB MET 50 -13.610 -30.818 8.344 374 2HB MET 50 1HB MET 50 -12.981 -29.664 9.515 375 1HG MET 50 2HG MET 50 -13.384 -27.846 7.802 376 2HG MET 50 1HG MET 50 -14.227 -29.050 6.826 377 1HE MET 50 1HE MET 50 -13.765 -27.259 9.966 378 2HE MET 50 3HE MET 50 -15.337 -27.130 10.768 379 3HE MET 50 2HE MET 50 -14.369 -28.591 10.948 380 H ALA 51 H ALA 51 -11.806 -32.439 8.019 381 HA ALA 51 HA ALA 51 -10.261 -32.873 10.341 382 1HB ALA 51 1HB ALA 51 -10.892 -34.983 9.873 383 2HB ALA 51 2HB ALA 51 -9.752 -35.017 8.529 384 3HB ALA 51 3HB ALA 51 -11.411 -34.479 8.265 385 H GLU 52 H GLU 52 -9.293 -32.000 7.135 386 HA GLU 52 HA GLU 52 -6.453 -32.669 7.722 387 1HB GLU 52 2HB GLU 52 -7.979 -31.968 5.226 388 2HB GLU 52 1HB GLU 52 -6.228 -31.761 5.272 389 1HG GLU 52 2HG GLU 52 -6.090 -34.166 6.103 390 2HG GLU 52 1HG GLU 52 -7.801 -34.313 5.699 391 H ILE 53 H ILE 53 -8.598 -29.946 7.060 392 HA ILE 53 HA ILE 53 -6.440 -27.979 7.182 393 HB ILE 53 HB ILE 53 -9.451 -27.653 7.271 394 1HG1 ILE 53 2HG1 ILE 53 -7.496 -27.316 4.980 395 2HG1 ILE 53 1HG1 ILE 53 -8.543 -28.716 5.202 396 1HG2 ILE 53 3HG2 ILE 53 -7.872 -25.790 8.174 397 2HG2 ILE 53 2HG2 ILE 53 -7.446 -25.552 6.478 398 3HG2 ILE 53 1HG2 ILE 53 -9.116 -25.346 7.007 399 1HD1 ILE 53 1HD1 ILE 53 -9.551 -25.867 4.976 400 2HD1 ILE 53 3HD1 ILE 53 -9.487 -27.001 3.628 401 3HD1 ILE 53 2HD1 ILE 53 -10.527 -27.336 5.012 402 H ASP 54 H ASP 54 -8.858 -29.307 9.370 403 HA ASP 54 HA ASP 54 -8.658 -27.423 11.479 404 1HB ASP 54 2HB ASP 54 -10.228 -29.506 11.068 405 2HB ASP 54 1HB ASP 54 -8.997 -30.361 11.987 406 H THR 55 H THR 55 -6.574 -26.828 12.065 407 HA THR 55 HA THR 55 -4.395 -28.721 12.257 408 HB THR 55 HB THR 55 -3.141 -26.837 13.226 409 HG1 THR 55 HG1 THR 55 -4.143 -25.104 13.951 410 1HG2 THR 55 2HG2 THR 55 -4.912 -26.261 10.847 411 2HG2 THR 55 1HG2 THR 55 -3.611 -25.176 11.341 412 3HG2 THR 55 3HG2 THR 55 -3.241 -26.828 10.844 413 H ASP 56 H ASP 56 -6.348 -27.026 14.716 414 HA ASP 56 HA ASP 56 -5.042 -28.593 16.838 415 1HB ASP 56 2HB ASP 56 -6.236 -27.243 18.388 416 2HB ASP 56 1HB ASP 56 -5.784 -26.156 17.077 417 H GLY 57 H GLY 57 -8.082 -28.581 15.073 418 1HA GLY 57 1HA GLY 57 -8.648 -31.248 16.231 419 2HA GLY 57 2HA GLY 57 -9.397 -30.580 14.785 420 H ASP 58 H ASP 58 -9.986 -27.984 16.244 421 HA ASP 58 HA ASP 58 -11.818 -28.814 18.384 422 1HB ASP 58 2HB ASP 58 -12.315 -26.482 18.660 423 2HB ASP 58 1HB ASP 58 -10.583 -26.597 18.369 424 H GLY 59 H GLY 59 -11.961 -28.918 15.062 425 1HA GLY 59 1HA GLY 59 -14.930 -29.015 15.166 426 2HA GLY 59 2HA GLY 59 -13.927 -29.777 13.934 427 H PHE 60 H PHE 60 -12.740 -26.699 14.527 428 HA PHE 60 HA PHE 60 -14.217 -25.667 12.148 429 1HB PHE 60 2HB PHE 60 -13.462 -23.966 14.532 430 2HB PHE 60 1HB PHE 60 -14.445 -23.496 13.146 431 HD1 PHE 60 HD1 PHE 60 -16.674 -24.615 12.772 432 HD2 PHE 60 HD2 PHE 60 -14.418 -25.091 16.394 433 HE1 PHE 60 HE1 PHE 60 -18.707 -25.421 13.932 434 HE2 PHE 60 HE2 PHE 60 -16.453 -25.893 17.556 435 HZ PHE 60 HZ PHE 60 -18.601 -26.061 16.326 436 H ILE 61 H ILE 61 -13.072 -24.091 10.890 437 HA ILE 61 HA ILE 61 -10.125 -24.267 11.222 438 HB ILE 61 HB ILE 61 -11.699 -23.419 8.777 439 1HG1 ILE 61 2HG1 ILE 61 -12.272 -25.729 9.294 440 2HG1 ILE 61 1HG1 ILE 61 -11.160 -25.712 7.926 441 1HG2 ILE 61 3HG2 ILE 61 -9.262 -22.726 9.069 442 2HG2 ILE 61 2HG2 ILE 61 -8.861 -24.441 8.995 443 3HG2 ILE 61 1HG2 ILE 61 -9.622 -23.652 7.613 444 1HD1 ILE 61 2HD1 ILE 61 -9.272 -26.119 9.521 445 2HD1 ILE 61 1HD1 ILE 61 -10.451 -26.267 10.824 446 3HD1 ILE 61 3HD1 ILE 61 -10.449 -27.434 9.499 447 H SER 62 H SER 62 -9.077 -22.393 11.784 448 HA SER 62 HA SER 62 -10.678 -19.898 11.894 449 1HB SER 62 2HB SER 62 -8.251 -19.305 13.043 450 2HB SER 62 1HB SER 62 -9.662 -19.881 13.931 451 HG SER 62 HG SER 62 -7.321 -21.079 13.602 452 H PHE 63 H PHE 63 -9.450 -17.865 11.252 453 HA PHE 63 HA PHE 63 -8.629 -17.988 8.558 454 1HB PHE 63 2HB PHE 63 -9.254 -15.871 9.699 455 2HB PHE 63 1HB PHE 63 -7.752 -15.945 10.623 456 HD1 PHE 63 HD1 PHE 63 -8.739 -16.480 7.045 457 HD2 PHE 63 HD2 PHE 63 -6.086 -14.538 9.804 458 HE1 PHE 63 HE1 PHE 63 -7.524 -15.449 5.147 459 HE2 PHE 63 HE2 PHE 63 -4.867 -13.509 7.908 460 HZ PHE 63 HZ PHE 63 -5.591 -13.963 5.577 461 H GLN 64 H GLN 64 -6.698 -18.035 11.528 462 HA GLN 64 HA GLN 64 -4.127 -18.077 10.324 463 1HB GLN 64 2HB GLN 64 -4.641 -17.806 12.780 464 2HB GLN 64 1HB GLN 64 -4.976 -19.536 12.844 465 1HG GLN 64 2HG GLN 64 -2.679 -19.218 13.529 466 2HG GLN 64 1HG GLN 64 -2.657 -19.931 11.916 467 1HE2 GLN 64 1HE2 GLN 64 -0.958 -18.959 10.789 468 2HE2 GLN 64 2HE2 GLN 64 -0.637 -17.292 10.766 469 H GLU 65 H GLU 65 -6.300 -20.767 11.244 470 HA GLU 65 HA GLU 65 -4.581 -22.864 10.334 471 1HB GLU 65 2HB GLU 65 -7.527 -22.616 10.855 472 2HB GLU 65 1HB GLU 65 -6.900 -24.068 10.084 473 1HG GLU 65 2HG GLU 65 -5.375 -24.441 11.965 474 2HG GLU 65 1HG GLU 65 -5.917 -22.945 12.724 475 H PHE 66 H PHE 66 -7.268 -21.147 8.759 476 HA PHE 66 HA PHE 66 -7.059 -22.540 6.256 477 1HB PHE 66 2HB PHE 66 -9.059 -21.238 6.902 478 2HB PHE 66 1HB PHE 66 -8.111 -19.751 6.832 479 HD1 PHE 66 HD1 PHE 66 -7.039 -19.081 4.624 480 HD2 PHE 66 HD2 PHE 66 -9.985 -22.193 4.936 481 HE1 PHE 66 HE1 PHE 66 -7.465 -18.922 2.186 482 HE2 PHE 66 HE2 PHE 66 -10.409 -22.034 2.497 483 HZ PHE 66 HZ PHE 66 -9.150 -20.399 1.124 484 H THR 67 H THR 67 -5.369 -19.805 7.646 485 HA THR 67 HA THR 67 -4.212 -18.842 5.181 486 HB THR 67 HB THR 67 -3.278 -18.563 8.056 487 HG1 THR 67 HG1 THR 67 -4.822 -16.955 6.312 488 1HG2 THR 67 1HG2 THR 67 -1.585 -18.220 6.104 489 2HG2 THR 67 3HG2 THR 67 -2.515 -16.757 5.774 490 3HG2 THR 67 2HG2 THR 67 -1.721 -16.964 7.335 491 H ASP 68 H ASP 68 -2.940 -20.924 7.802 492 HA ASP 68 HA ASP 68 -0.443 -21.473 6.520 493 1HB ASP 68 2HB ASP 68 -1.998 -23.192 8.477 494 2HB ASP 68 1HB ASP 68 -0.287 -23.370 8.086 495 H PHE 69 H PHE 69 -3.621 -23.010 6.311 496 HA PHE 69 HA PHE 69 -2.675 -25.224 4.687 497 1HB PHE 69 2HB PHE 69 -4.635 -25.864 5.701 498 2HB PHE 69 1HB PHE 69 -5.270 -24.222 5.737 499 HD1 PHE 69 HD1 PHE 69 -6.018 -23.187 3.514 500 HD2 PHE 69 HD2 PHE 69 -5.385 -27.393 4.075 501 HE1 PHE 69 HE1 PHE 69 -7.407 -23.664 1.509 502 HE2 PHE 69 HE2 PHE 69 -6.765 -27.873 2.077 503 HZ PHE 69 HZ PHE 69 -7.782 -26.009 0.791 504 H GLY 70 H GLY 70 -4.249 -22.105 4.089 505 1HA GLY 70 1HA GLY 70 -4.439 -20.853 2.112 506 2HA GLY 70 2HA GLY 70 -4.602 -22.399 1.275 507 H ARG 71 H ARG 71 -1.804 -21.607 3.230 508 HA ARG 71 HA ARG 71 -0.141 -20.610 1.101 509 1HB ARG 71 2HB ARG 71 0.501 -21.891 3.770 510 2HB ARG 71 1HB ARG 71 1.743 -21.273 2.680 511 1HG ARG 71 2HG ARG 71 0.771 -19.045 2.768 512 2HG ARG 71 1HG ARG 71 -0.574 -19.632 3.737 513 1HD ARG 71 2HD ARG 71 0.917 -18.676 5.313 514 2HD ARG 71 1HD ARG 71 1.206 -20.414 5.424 515 HE ARG 71 HE ARG 71 2.990 -19.441 3.486 516 1HH1 ARG 71 1HH1 ARG 71 2.671 -20.021 6.790 517 2HH1 ARG 71 2HH1 ARG 71 4.113 -19.180 7.252 518 1HH2 ARG 71 1HH2 ARG 71 4.698 -17.902 4.082 519 2HH2 ARG 71 2HH2 ARG 71 5.262 -17.981 5.718 520 H ALA 72 H ALA 72 -0.798 -23.817 2.405 521 HA ALA 72 HA ALA 72 1.201 -25.215 0.885 522 1HB ALA 72 2HB ALA 72 -0.980 -26.958 1.271 523 2HB ALA 72 3HB ALA 72 -0.988 -25.877 2.666 524 3HB ALA 72 1HB ALA 72 0.456 -26.818 2.287 525 H ASN 73 H ASN 73 -1.827 -23.803 0.053 526 HA ASN 73 HA ASN 73 -1.517 -24.820 -2.713 527 1HB ASN 73 2HB ASN 73 -4.209 -24.905 -1.337 528 2HB ASN 73 1HB ASN 73 -3.762 -25.606 -2.892 529 1HD2 ASN 73 1HD2 ASN 73 -4.088 -26.292 0.440 530 2HD2 ASN 73 2HD2 ASN 73 -3.248 -27.766 0.461 531 H ARG 74 H ARG 74 -0.847 -22.303 -2.046 532 HA ARG 74 HA ARG 74 -2.781 -20.293 -1.862 533 1HB ARG 74 2HB ARG 74 -1.179 -18.801 -2.877 534 2HB ARG 74 1HB ARG 74 -0.266 -19.970 -1.924 535 1HG ARG 74 2HG ARG 74 0.048 -21.331 -4.012 536 2HG ARG 74 1HG ARG 74 -0.719 -20.028 -4.922 537 1HD ARG 74 2HD ARG 74 1.813 -19.808 -3.264 538 2HD ARG 74 1HD ARG 74 1.714 -19.776 -5.025 539 HE ARG 74 HE ARG 74 0.076 -17.698 -4.317 540 1HH1 ARG 74 1HH1 ARG 74 2.506 -18.391 -2.172 541 2HH1 ARG 74 2HH1 ARG 74 3.388 -16.917 -2.390 542 1HH2 ARG 74 1HH2 ARG 74 1.530 -15.901 -5.136 543 2HH2 ARG 74 2HH2 ARG 74 2.835 -15.508 -4.068 544 H GLY 75 H GLY 75 -1.778 -22.169 -4.665 545 1HA GLY 75 1HA GLY 75 -2.749 -22.408 -6.769 546 2HA GLY 75 2HA GLY 75 -3.179 -20.701 -6.664 547 H LEU 76 H LEU 76 -4.294 -22.760 -4.134 548 HA LEU 76 HA LEU 76 -6.833 -23.448 -5.397 549 1HB LEU 76 2HB LEU 76 -5.724 -23.700 -2.604 550 2HB LEU 76 1HB LEU 76 -7.419 -24.048 -2.944 551 HG LEU 76 HG LEU 76 -5.037 -25.360 -4.290 552 1HD1 LEU 76 2HD1 LEU 76 -6.278 -25.875 -1.803 553 2HD1 LEU 76 1HD1 LEU 76 -6.871 -27.116 -2.908 554 3HD1 LEU 76 3HD1 LEU 76 -5.137 -26.913 -2.660 555 1HD2 LEU 76 2HD2 LEU 76 -7.782 -25.071 -5.089 556 2HD2 LEU 76 1HD2 LEU 76 -6.488 -25.945 -5.908 557 3HD2 LEU 76 3HD2 LEU 76 -7.476 -26.763 -4.698 558 H LEU 77 H LEU 77 -5.757 -21.141 -2.924 559 HA LEU 77 HA LEU 77 -8.380 -20.002 -2.529 560 1HB LEU 77 2HB LEU 77 -5.825 -18.505 -1.998 561 2HB LEU 77 1HB LEU 77 -7.334 -18.472 -1.088 562 HG LEU 77 HG LEU 77 -5.239 -20.648 -1.159 563 1HD1 LEU 77 3HD1 LEU 77 -6.259 -18.651 0.754 564 2HD1 LEU 77 2HD1 LEU 77 -6.079 -20.271 1.426 565 3HD1 LEU 77 1HD1 LEU 77 -4.691 -19.457 0.701 566 1HD2 LEU 77 3HD2 LEU 77 -8.156 -20.813 -0.409 567 2HD2 LEU 77 2HD2 LEU 77 -7.208 -21.931 -1.390 568 3HD2 LEU 77 1HD2 LEU 77 -6.963 -21.862 0.356 569 H LYS 78 H LYS 78 -5.851 -19.456 -4.878 570 HA LYS 78 HA LYS 78 -6.874 -16.833 -5.675 571 1HB LYS 78 2HB LYS 78 -5.202 -16.907 -7.397 572 2HB LYS 78 1HB LYS 78 -4.467 -17.612 -5.957 573 1HG LYS 78 2HG LYS 78 -4.854 -19.853 -6.780 574 2HG LYS 78 1HG LYS 78 -5.798 -19.241 -8.139 575 1HD LYS 78 2HD LYS 78 -3.486 -19.819 -8.824 576 2HD LYS 78 1HD LYS 78 -3.809 -18.096 -9.022 577 1HE LYS 78 2HE LYS 78 -2.291 -17.513 -7.435 578 2HE LYS 78 1HE LYS 78 -2.781 -18.821 -6.359 579 1HZ LYS 78 3HZ LYS 78 -1.224 -19.324 -8.822 580 2HZ LYS 78 2HZ LYS 78 -0.469 -18.948 -7.347 581 3HZ LYS 78 1HZ LYS 78 -1.431 -20.343 -7.481 582 H ASP 79 H ASP 79 -7.364 -20.182 -6.553 583 HA ASP 79 HA ASP 79 -8.885 -19.486 -8.976 584 1HB ASP 79 2HB ASP 79 -8.072 -22.031 -7.604 585 2HB ASP 79 1HB ASP 79 -9.351 -22.059 -8.814 586 H VAL 80 H VAL 80 -9.491 -20.859 -5.758 587 HA VAL 80 HA VAL 80 -12.296 -21.232 -6.023 588 HB VAL 80 HB VAL 80 -10.741 -21.957 -4.103 589 1HG1 VAL 80 1HG1 VAL 80 -9.841 -19.690 -3.650 590 2HG1 VAL 80 3HG1 VAL 80 -11.447 -19.176 -3.131 591 3HG1 VAL 80 2HG1 VAL 80 -10.576 -20.407 -2.216 592 1HG2 VAL 80 3HG2 VAL 80 -13.539 -20.984 -3.981 593 2HG2 VAL 80 2HG2 VAL 80 -12.889 -22.581 -3.610 594 3HG2 VAL 80 1HG2 VAL 80 -12.763 -21.279 -2.425 595 H ALA 81 H ALA 81 -10.415 -18.455 -4.923 596 HA ALA 81 HA ALA 81 -12.477 -16.703 -4.197 597 1HB ALA 81 2HB ALA 81 -10.080 -16.150 -3.967 598 2HB ALA 81 1HB ALA 81 -9.951 -15.999 -5.719 599 3HB ALA 81 3HB ALA 81 -10.949 -14.866 -4.808 600 H LYS 82 H LYS 82 -11.238 -17.416 -7.443 601 HA LYS 82 HA LYS 82 -12.775 -15.500 -8.868 602 1HB LYS 82 2HB LYS 82 -11.795 -18.249 -9.685 603 2HB LYS 82 1HB LYS 82 -12.520 -17.096 -10.806 604 1HG LYS 82 2HG LYS 82 -10.761 -15.430 -10.102 605 2HG LYS 82 1HG LYS 82 -9.988 -16.720 -9.183 606 1HD LYS 82 2HD LYS 82 -9.892 -18.067 -11.317 607 2HD LYS 82 1HD LYS 82 -10.453 -16.632 -12.176 608 1HE LYS 82 2HE LYS 82 -8.355 -15.821 -12.219 609 2HE LYS 82 1HE LYS 82 -8.286 -15.876 -10.457 610 1HZ LYS 82 2HZ LYS 82 -8.034 -18.482 -11.254 611 2HZ LYS 82 1HZ LYS 82 -7.085 -17.617 -12.365 612 3HZ LYS 82 3HZ LYS 82 -6.785 -17.472 -10.702 613 H ILE 83 H ILE 83 -13.621 -18.661 -7.579 614 HA ILE 83 HA ILE 83 -16.043 -19.105 -8.981 615 HB ILE 83 HB ILE 83 -15.241 -19.811 -6.146 616 1HG1 ILE 83 2HG1 ILE 83 -15.329 -21.355 -8.754 617 2HG1 ILE 83 1HG1 ILE 83 -13.884 -20.882 -7.859 618 1HG2 ILE 83 2HG2 ILE 83 -17.817 -19.998 -7.495 619 2HG2 ILE 83 1HG2 ILE 83 -17.215 -21.589 -7.026 620 3HG2 ILE 83 3HG2 ILE 83 -17.413 -20.327 -5.809 621 1HD1 ILE 83 1HD1 ILE 83 -14.711 -22.248 -5.923 622 2HD1 ILE 83 3HD1 ILE 83 -16.040 -22.808 -6.938 623 3HD1 ILE 83 2HD1 ILE 83 -14.375 -23.211 -7.362 624 H PHE 84 H PHE 84 -15.305 -17.012 -6.256 625 HA PHE 84 HA PHE 84 -18.169 -16.197 -6.119 626 1HB PHE 84 2HB PHE 84 -15.849 -15.671 -4.237 627 2HB PHE 84 1HB PHE 84 -17.488 -15.062 -4.000 628 HD1 PHE 84 HD1 PHE 84 -15.748 -18.301 -4.783 629 HD2 PHE 84 HD2 PHE 84 -18.916 -16.323 -2.660 630 HE1 PHE 84 HE1 PHE 84 -16.395 -20.456 -3.740 631 HE2 PHE 84 HE2 PHE 84 -19.563 -18.478 -1.618 632 HZ PHE 84 HZ PHE 84 -18.302 -20.544 -2.158 No H/Q in entry = 632 Start of MODEL 14 1 H1 ALA 1 3H ALA 1 9.584 -12.229 1.942 2 H2 ALA 1 2H ALA 1 10.892 -13.207 2.409 3 H3 ALA 1 1H ALA 1 11.011 -12.230 1.024 4 HA ALA 1 HA ALA 1 10.641 -14.380 0.206 5 1HB ALA 1 2HB ALA 1 8.974 -15.867 1.099 6 2HB ALA 1 1HB ALA 1 9.881 -15.233 2.473 7 3HB ALA 1 3HB ALA 1 8.282 -14.588 2.096 8 H ASP 2 H ASP 2 8.600 -15.139 -1.112 9 HA ASP 2 HA ASP 2 7.588 -12.804 -2.496 10 1HB ASP 2 2HB ASP 2 6.862 -15.742 -2.706 11 2HB ASP 2 1HB ASP 2 6.266 -14.492 -3.800 12 H ASP 3 H ASP 3 6.607 -14.412 0.316 13 HA ASP 3 HA ASP 3 3.733 -13.969 0.006 14 1HB ASP 3 2HB ASP 3 4.730 -15.774 1.458 15 2HB ASP 3 1HB ASP 3 5.292 -14.508 2.550 16 H HIS 4 H HIS 4 3.002 -11.892 -0.019 17 HA HIS 4 HA HIS 4 4.316 -9.926 1.810 18 1HB HIS 4 2HB HIS 4 2.770 -8.387 0.189 19 2HB HIS 4 1HB HIS 4 4.445 -8.791 -0.172 20 HD1 HIS 4 HD1 HIS 4 0.919 -9.592 -1.163 21 HD2 HIS 4 HD2 HIS 4 4.782 -10.732 -2.234 22 HE1 HIS 4 HE1 HIS 4 0.706 -10.896 -3.325 23 HA PRO 5 HA PRO 5 0.620 -9.336 4.176 24 1HB PRO 5 2HB PRO 5 0.250 -6.654 4.194 25 2HB PRO 5 1HB PRO 5 1.529 -7.453 5.113 26 1HG PRO 5 2HG PRO 5 1.681 -6.080 2.450 27 2HG PRO 5 1HG PRO 5 2.783 -5.956 3.826 28 1HD PRO 5 1HD PRO 5 3.359 -7.511 1.709 29 2HD PRO 5 2HD PRO 5 3.813 -7.984 3.347 30 H GLN 6 H GLN 6 0.731 -7.975 0.967 31 HA GLN 6 HA GLN 6 -2.002 -7.179 0.717 32 1HB GLN 6 2HB GLN 6 0.221 -7.861 -1.150 33 2HB GLN 6 1HB GLN 6 -1.417 -7.893 -1.806 34 1HG GLN 6 2HG GLN 6 -1.789 -5.610 -1.286 35 2HG GLN 6 1HG GLN 6 -0.417 -5.553 -0.180 36 1HE2 GLN 6 1HE2 GLN 6 1.690 -6.547 -1.608 37 2HE2 GLN 6 2HE2 GLN 6 1.943 -5.668 -3.037 38 H ASP 7 H ASP 7 -0.355 -10.266 0.126 39 HA ASP 7 HA ASP 7 -2.526 -11.703 -0.972 40 1HB ASP 7 2HB ASP 7 -0.269 -12.621 0.825 41 2HB ASP 7 1HB ASP 7 -1.395 -13.728 0.041 42 H LYS 8 H LYS 8 -1.599 -11.304 2.440 43 HA LYS 8 HA LYS 8 -3.552 -12.861 3.676 44 1HB LYS 8 2HB LYS 8 -2.156 -10.326 4.414 45 2HB LYS 8 1HB LYS 8 -3.534 -10.821 5.396 46 1HG LYS 8 2HG LYS 8 -2.318 -13.177 5.316 47 2HG LYS 8 1HG LYS 8 -0.895 -12.182 5.007 48 1HD LYS 8 2HD LYS 8 -1.536 -10.810 7.039 49 2HD LYS 8 1HD LYS 8 -2.761 -12.029 7.389 50 1HE LYS 8 2HE LYS 8 -0.454 -12.286 8.536 51 2HE LYS 8 1HE LYS 8 -1.143 -13.713 7.762 52 1HZ LYS 8 3HZ LYS 8 0.556 -11.939 6.165 53 2HZ LYS 8 2HZ LYS 8 1.303 -12.975 7.286 54 3HZ LYS 8 1HZ LYS 8 0.334 -13.617 6.047 55 H ALA 9 H ALA 9 -3.896 -9.666 2.225 56 HA ALA 9 HA ALA 9 -6.515 -9.070 3.159 57 1HB ALA 9 2HB ALA 9 -5.385 -8.362 0.437 58 2HB ALA 9 1HB ALA 9 -6.652 -7.505 1.314 59 3HB ALA 9 3HB ALA 9 -4.994 -7.484 1.916 60 H GLU 10 H GLU 10 -5.435 -10.785 0.242 61 HA GLU 10 HA GLU 10 -8.090 -11.360 -0.713 62 1HB GLU 10 2HB GLU 10 -5.599 -13.010 -1.215 63 2HB GLU 10 1HB GLU 10 -7.027 -12.885 -2.244 64 1HG GLU 10 2HG GLU 10 -6.543 -10.479 -2.599 65 2HG GLU 10 1HG GLU 10 -5.097 -10.633 -1.601 66 H ARG 11 H ARG 11 -5.796 -13.122 1.324 67 HA ARG 11 HA ARG 11 -7.377 -15.505 1.604 68 1HB ARG 11 2HB ARG 11 -5.302 -14.282 3.443 69 2HB ARG 11 1HB ARG 11 -5.959 -15.905 3.616 70 1HG ARG 11 2HG ARG 11 -5.223 -16.176 1.109 71 2HG ARG 11 1HG ARG 11 -4.177 -14.801 1.459 72 1HD ARG 11 2HD ARG 11 -3.506 -16.210 3.572 73 2HD ARG 11 1HD ARG 11 -4.130 -17.566 2.631 74 HE ARG 11 HE ARG 11 -1.779 -15.905 1.911 75 1HH1 ARG 11 1HH1 ARG 11 -2.037 -18.984 2.315 76 2HH1 ARG 11 2HH1 ARG 11 -1.877 -19.511 0.673 77 1HH2 ARG 11 1HH2 ARG 11 -2.405 -16.361 -0.672 78 2HH2 ARG 11 2HH2 ARG 11 -2.087 -18.028 -1.017 79 H GLU 12 H GLU 12 -7.158 -12.522 3.483 80 HA GLU 12 HA GLU 12 -8.936 -13.323 5.586 81 1HB GLU 12 2HB GLU 12 -7.801 -10.763 4.591 82 2HB GLU 12 1HB GLU 12 -9.288 -10.642 5.530 83 1HG GLU 12 2HG GLU 12 -8.084 -12.253 7.194 84 2HG GLU 12 1HG GLU 12 -6.612 -11.740 6.368 85 H ARG 13 H ARG 13 -9.479 -11.679 2.489 86 HA ARG 13 HA ARG 13 -12.293 -11.252 2.892 87 1HB ARG 13 2HB ARG 13 -10.730 -11.550 0.311 88 2HB ARG 13 1HB ARG 13 -12.366 -10.904 0.444 89 1HG ARG 13 2HG ARG 13 -11.624 -9.008 1.675 90 2HG ARG 13 1HG ARG 13 -10.048 -9.729 1.989 91 1HD ARG 13 2HD ARG 13 -9.686 -8.145 0.239 92 2HD ARG 13 1HD ARG 13 -9.707 -9.722 -0.551 93 HE ARG 13 HE ARG 13 -12.285 -8.287 -0.457 94 1HH1 ARG 13 1HH1 ARG 13 -9.335 -8.150 -2.106 95 2HH1 ARG 13 2HH1 ARG 13 -10.028 -8.265 -3.689 96 1HH2 ARG 13 1HH2 ARG 13 -13.238 -8.876 -2.529 97 2HH2 ARG 13 2HH2 ARG 13 -12.238 -8.677 -3.929 98 H ILE 14 H ILE 14 -10.422 -13.871 1.413 99 HA ILE 14 HA ILE 14 -12.740 -15.379 0.569 100 HB ILE 14 HB ILE 14 -9.934 -16.369 1.159 101 1HG1 ILE 14 2HG1 ILE 14 -11.010 -15.681 -1.563 102 2HG1 ILE 14 1HG1 ILE 14 -10.318 -14.421 -0.546 103 1HG2 ILE 14 1HG2 ILE 14 -12.369 -17.526 -0.151 104 2HG2 ILE 14 3HG2 ILE 14 -10.781 -17.971 -0.776 105 3HG2 ILE 14 2HG2 ILE 14 -11.191 -18.307 0.905 106 1HD1 ILE 14 2HD1 ILE 14 -8.628 -16.780 -0.547 107 2HD1 ILE 14 1HD1 ILE 14 -8.911 -16.214 -2.193 108 3HD1 ILE 14 3HD1 ILE 14 -8.221 -15.123 -0.992 109 H PHE 15 H PHE 15 -10.589 -15.528 3.412 110 HA PHE 15 HA PHE 15 -11.957 -17.742 4.637 111 1HB PHE 15 2HB PHE 15 -9.679 -17.039 5.316 112 2HB PHE 15 1HB PHE 15 -10.340 -15.535 5.960 113 HD1 PHE 15 HD1 PHE 15 -11.800 -15.561 7.961 114 HD2 PHE 15 HD2 PHE 15 -10.039 -19.165 6.426 115 HE1 PHE 15 HE1 PHE 15 -12.363 -16.737 10.073 116 HE2 PHE 15 HE2 PHE 15 -10.601 -20.341 8.535 117 HZ PHE 15 HZ PHE 15 -11.767 -19.130 10.359 118 H LYS 16 H LYS 16 -12.394 -14.238 4.756 119 HA LYS 16 HA LYS 16 -14.323 -14.225 6.885 120 1HB LYS 16 2HB LYS 16 -13.611 -12.329 4.661 121 2HB LYS 16 1HB LYS 16 -15.054 -12.034 5.631 122 1HG LYS 16 2HG LYS 16 -13.659 -12.155 7.690 123 2HG LYS 16 1HG LYS 16 -12.227 -12.359 6.682 124 1HD LYS 16 2HD LYS 16 -12.828 -10.175 5.551 125 2HD LYS 16 1HD LYS 16 -14.076 -9.960 6.780 126 1HE LYS 16 2HE LYS 16 -11.813 -10.615 8.259 127 2HE LYS 16 1HE LYS 16 -11.183 -9.575 6.982 128 1HZ LYS 16 3HZ LYS 16 -13.650 -8.633 8.113 129 2HZ LYS 16 2HZ LYS 16 -12.389 -8.721 9.249 130 3HZ LYS 16 1HZ LYS 16 -12.200 -7.800 7.834 131 H ARG 17 H ARG 17 -14.528 -14.841 3.437 132 HA ARG 17 HA ARG 17 -17.410 -14.666 3.263 133 1HB ARG 17 2HB ARG 17 -15.285 -15.953 1.543 134 2HB ARG 17 1HB ARG 17 -17.000 -16.104 1.165 135 1HG ARG 17 2HG ARG 17 -17.050 -13.513 1.400 136 2HG ARG 17 1HG ARG 17 -15.297 -13.618 1.230 137 1HD ARG 17 2HD ARG 17 -15.652 -14.935 -0.884 138 2HD ARG 17 1HD ARG 17 -17.380 -14.616 -0.736 139 HE ARG 17 HE ARG 17 -16.893 -12.225 -1.066 140 1HH1 ARG 17 1HH1 ARG 17 -15.536 -13.982 -3.278 141 2HH1 ARG 17 2HH1 ARG 17 -14.049 -13.116 -3.463 142 1HH2 ARG 17 1HH2 ARG 17 -14.440 -11.292 -0.541 143 2HH2 ARG 17 2HH2 ARG 17 -13.428 -11.593 -1.914 144 H PHE 18 H PHE 18 -15.108 -17.247 3.974 145 HA PHE 18 HA PHE 18 -17.035 -19.386 3.935 146 1HB PHE 18 2HB PHE 18 -14.292 -19.046 5.126 147 2HB PHE 18 1HB PHE 18 -15.246 -20.489 5.470 148 HD1 PHE 18 HD1 PHE 18 -16.266 -21.730 3.413 149 HD2 PHE 18 HD2 PHE 18 -13.019 -18.929 3.162 150 HE1 PHE 18 HE1 PHE 18 -15.614 -22.683 1.218 151 HE2 PHE 18 HE2 PHE 18 -12.368 -19.882 0.967 152 HZ PHE 18 HZ PHE 18 -13.665 -21.759 -0.006 153 H ASP 19 H ASP 19 -15.640 -17.476 6.608 154 HA ASP 19 HA ASP 19 -17.129 -18.687 8.698 155 1HB ASP 19 2HB ASP 19 -15.213 -16.891 8.782 156 2HB ASP 19 1HB ASP 19 -16.545 -15.733 8.723 157 H ALA 20 H ALA 20 -19.322 -18.985 8.387 158 HA ALA 20 HA ALA 20 -21.008 -17.148 6.983 159 1HB ALA 20 2HB ALA 20 -21.299 -19.704 7.687 160 2HB ALA 20 1HB ALA 20 -22.172 -18.974 9.034 161 3HB ALA 20 3HB ALA 20 -22.692 -18.667 7.378 162 H ASN 21 H ASN 21 -20.727 -17.763 10.530 163 HA ASN 21 HA ASN 21 -22.427 -15.401 10.993 164 1HB ASN 21 2HB ASN 21 -22.325 -15.996 13.350 165 2HB ASN 21 1HB ASN 21 -22.690 -17.433 12.402 166 1HD2 ASN 21 1HD2 ASN 21 -21.453 -17.328 15.066 167 2HD2 ASN 21 2HD2 ASN 21 -19.935 -18.066 14.924 168 H GLY 22 H GLY 22 -19.040 -16.280 11.160 169 1HA GLY 22 1HA GLY 22 -18.410 -13.406 11.509 170 2HA GLY 22 2HA GLY 22 -17.275 -14.648 10.985 171 H ASP 23 H ASP 23 -17.894 -16.506 13.135 172 HA ASP 23 HA ASP 23 -17.209 -14.997 15.585 173 1HB ASP 23 2HB ASP 23 -17.440 -17.160 16.748 174 2HB ASP 23 1HB ASP 23 -18.870 -16.801 15.785 175 H GLY 24 H GLY 24 -15.497 -16.010 13.022 176 1HA GLY 24 1HA GLY 24 -13.031 -16.234 14.645 177 2HA GLY 24 2HA GLY 24 -13.097 -15.899 12.917 178 H LYS 25 H LYS 25 -15.192 -18.442 13.632 179 HA LYS 25 HA LYS 25 -13.104 -20.390 12.781 180 1HB LYS 25 2HB LYS 25 -13.945 -22.046 14.315 181 2HB LYS 25 1HB LYS 25 -13.671 -20.575 15.242 182 1HG LYS 25 2HG LYS 25 -15.957 -20.117 15.433 183 2HG LYS 25 1HG LYS 25 -16.375 -21.104 14.032 184 1HD LYS 25 2HD LYS 25 -16.870 -22.763 15.477 185 2HD LYS 25 1HD LYS 25 -15.139 -22.890 15.789 186 1HE LYS 25 2HE LYS 25 -16.238 -22.597 17.918 187 2HE LYS 25 1HE LYS 25 -15.409 -21.087 17.538 188 1HZ LYS 25 3HZ LYS 25 -17.825 -20.755 16.379 189 2HZ LYS 25 2HZ LYS 25 -18.224 -21.624 17.783 190 3HZ LYS 25 1HZ LYS 25 -17.385 -20.151 17.901 191 H ILE 26 H ILE 26 -13.768 -21.918 11.293 192 HA ILE 26 HA ILE 26 -16.537 -21.560 10.215 193 HB ILE 26 HB ILE 26 -14.220 -22.747 8.693 194 1HG1 ILE 26 2HG1 ILE 26 -14.973 -19.824 8.983 195 2HG1 ILE 26 1HG1 ILE 26 -13.442 -20.568 9.446 196 1HG2 ILE 26 3HG2 ILE 26 -16.752 -21.289 7.876 197 2HG2 ILE 26 2HG2 ILE 26 -15.549 -21.948 6.767 198 3HG2 ILE 26 1HG2 ILE 26 -16.496 -23.032 7.788 199 1HD1 ILE 26 1HD1 ILE 26 -14.049 -21.214 6.701 200 2HD1 ILE 26 3HD1 ILE 26 -14.121 -19.467 6.930 201 3HD1 ILE 26 2HD1 ILE 26 -12.654 -20.352 7.347 202 H SER 27 H SER 27 -17.847 -23.333 10.165 203 HA SER 27 HA SER 27 -16.683 -25.920 11.083 204 1HB SER 27 2HB SER 27 -18.751 -26.427 12.040 205 2HB SER 27 1HB SER 27 -18.697 -24.676 12.250 206 HG SER 27 HG SER 27 -20.669 -25.537 11.306 207 H ALA 28 H ALA 28 -17.752 -27.890 10.043 208 HA ALA 28 HA ALA 28 -17.399 -27.916 7.267 209 1HB ALA 28 3HB ALA 28 -19.452 -29.632 8.682 210 2HB ALA 28 1HB ALA 28 -17.718 -29.925 8.819 211 3HB ALA 28 2HB ALA 28 -18.512 -30.040 7.247 212 H ALA 29 H ALA 29 -20.403 -27.384 9.093 213 HA ALA 29 HA ALA 29 -22.139 -27.130 6.872 214 1HB ALA 29 2HB ALA 29 -22.338 -26.808 9.650 215 2HB ALA 29 3HB ALA 29 -23.656 -26.688 8.484 216 3HB ALA 29 1HB ALA 29 -22.784 -25.238 8.982 217 H GLU 30 H GLU 30 -20.043 -24.733 8.444 218 HA GLU 30 HA GLU 30 -20.965 -22.563 6.753 219 1HB GLU 30 2HB GLU 30 -18.492 -22.847 8.483 220 2HB GLU 30 1HB GLU 30 -18.972 -21.356 7.674 221 1HG GLU 30 2HG GLU 30 -21.141 -21.425 8.893 222 2HG GLU 30 1HG GLU 30 -20.596 -22.871 9.742 223 H LEU 31 H LEU 31 -17.904 -24.417 6.867 224 HA LEU 31 HA LEU 31 -16.868 -23.319 4.439 225 1HB LEU 31 2HB LEU 31 -15.388 -24.507 5.950 226 2HB LEU 31 1HB LEU 31 -16.348 -25.980 5.802 227 HG LEU 31 HG LEU 31 -15.767 -26.172 3.443 228 1HD1 LEU 31 2HD1 LEU 31 -14.904 -23.388 3.885 229 2HD1 LEU 31 1HD1 LEU 31 -13.783 -24.348 2.920 230 3HD1 LEU 31 3HD1 LEU 31 -15.460 -24.171 2.407 231 1HD2 LEU 31 3HD2 LEU 31 -13.559 -25.785 5.441 232 2HD2 LEU 31 2HD2 LEU 31 -14.124 -27.272 4.680 233 3HD2 LEU 31 1HD2 LEU 31 -13.148 -26.126 3.761 234 H GLY 32 H GLY 32 -18.816 -26.211 5.100 235 1HA GLY 32 1HA GLY 32 -20.061 -27.569 3.646 236 2HA GLY 32 2HA GLY 32 -18.874 -27.174 2.405 237 H GLU 33 H GLU 33 -21.073 -25.046 4.225 238 HA GLU 33 HA GLU 33 -23.003 -24.659 2.201 239 1HB GLU 33 2HB GLU 33 -22.113 -23.177 4.605 240 2HB GLU 33 1HB GLU 33 -22.951 -22.212 3.389 241 1HG GLU 33 2HG GLU 33 -24.730 -24.058 3.370 242 2HG GLU 33 1HG GLU 33 -23.962 -24.667 4.836 243 H ALA 34 H ALA 34 -19.961 -22.901 2.787 244 HA ALA 34 HA ALA 34 -20.347 -21.146 0.507 245 1HB ALA 34 3HB ALA 34 -18.822 -20.194 1.966 246 2HB ALA 34 2HB ALA 34 -18.127 -21.751 2.416 247 3HB ALA 34 1HB ALA 34 -17.698 -21.006 0.876 248 H LEU 35 H LEU 35 -18.646 -24.180 1.118 249 HA LEU 35 HA LEU 35 -17.316 -24.418 -1.378 250 1HB LEU 35 2HB LEU 35 -18.122 -26.241 0.804 251 2HB LEU 35 1HB LEU 35 -17.922 -27.012 -0.770 252 HG LEU 35 HG LEU 35 -15.869 -25.234 0.584 253 1HD1 LEU 35 3HD1 LEU 35 -16.042 -28.235 0.211 254 2HD1 LEU 35 2HD1 LEU 35 -14.577 -27.393 0.713 255 3HD1 LEU 35 1HD1 LEU 35 -16.011 -27.357 1.738 256 1HD2 LEU 35 2HD2 LEU 35 -16.186 -26.308 -2.135 257 2HD2 LEU 35 1HD2 LEU 35 -15.151 -25.002 -1.557 258 3HD2 LEU 35 3HD2 LEU 35 -14.623 -26.679 -1.408 259 H LYS 36 H LYS 36 -20.664 -25.084 -0.451 260 HA LYS 36 HA LYS 36 -21.585 -26.649 -2.539 261 1HB LYS 36 2HB LYS 36 -22.735 -24.802 -0.689 262 2HB LYS 36 1HB LYS 36 -23.426 -24.475 -2.278 263 1HG LYS 36 2HG LYS 36 -24.126 -26.769 -2.525 264 2HG LYS 36 1HG LYS 36 -23.236 -27.251 -1.080 265 1HD LYS 36 2HD LYS 36 -25.009 -25.085 -0.417 266 2HD LYS 36 1HD LYS 36 -25.924 -26.349 -1.238 267 1HE LYS 36 2HE LYS 36 -24.075 -27.550 0.620 268 2HE LYS 36 1HE LYS 36 -25.044 -26.335 1.455 269 1HZ LYS 36 3HZ LYS 36 -26.803 -27.662 -0.178 270 2HZ LYS 36 2HZ LYS 36 -25.817 -28.888 0.464 271 3HZ LYS 36 1HZ LYS 36 -26.657 -27.837 1.502 272 H THR 37 H THR 37 -20.393 -23.373 -2.717 273 HA THR 37 HA THR 37 -21.509 -22.476 -5.132 274 HB THR 37 HB THR 37 -19.900 -21.237 -3.577 275 HG1 THR 37 HG1 THR 37 -19.957 -19.941 -5.204 276 1HG2 THR 37 1HG2 THR 37 -18.216 -23.308 -4.098 277 2HG2 THR 37 3HG2 THR 37 -17.640 -22.122 -5.270 278 3HG2 THR 37 2HG2 THR 37 -17.673 -21.720 -3.553 279 H LEU 38 H LEU 38 -19.179 -24.997 -4.561 280 HA LEU 38 HA LEU 38 -17.963 -25.165 -7.121 281 1HB LEU 38 2HB LEU 38 -18.675 -27.326 -5.119 282 2HB LEU 38 1HB LEU 38 -17.713 -27.625 -6.565 283 HG LEU 38 HG LEU 38 -17.040 -25.784 -4.256 284 1HD1 LEU 38 2HD1 LEU 38 -16.528 -28.477 -4.676 285 2HD1 LEU 38 1HD1 LEU 38 -15.054 -27.698 -5.251 286 3HD1 LEU 38 3HD1 LEU 38 -15.614 -27.418 -3.602 287 1HD2 LEU 38 3HD2 LEU 38 -16.052 -25.881 -7.073 288 2HD2 LEU 38 2HD2 LEU 38 -16.198 -24.504 -5.982 289 3HD2 LEU 38 1HD2 LEU 38 -14.859 -25.636 -5.798 290 H GLY 39 H GLY 39 -21.078 -26.331 -5.946 291 1HA GLY 39 1HA GLY 39 -22.136 -26.431 -8.645 292 2HA GLY 39 2HA GLY 39 -22.993 -26.919 -7.184 293 H SER 40 H SER 40 -20.135 -28.529 -7.026 294 HA SER 40 HA SER 40 -21.385 -31.022 -7.962 295 1HB SER 40 2HB SER 40 -19.341 -29.584 -9.501 296 2HB SER 40 1HB SER 40 -18.906 -31.258 -9.156 297 HG SER 40 HG SER 40 -21.496 -30.657 -10.034 298 H ILE 41 H ILE 41 -20.824 -30.475 -5.369 299 HA ILE 41 HA ILE 41 -18.466 -32.222 -4.861 300 HB ILE 41 HB ILE 41 -18.060 -29.665 -4.500 301 1HG1 ILE 41 2HG1 ILE 41 -17.502 -31.440 -2.122 302 2HG1 ILE 41 1HG1 ILE 41 -16.694 -31.685 -3.670 303 1HG2 ILE 41 3HG2 ILE 41 -20.331 -29.806 -3.022 304 2HG2 ILE 41 2HG2 ILE 41 -19.128 -30.082 -1.761 305 3HG2 ILE 41 1HG2 ILE 41 -19.066 -28.610 -2.733 306 1HD1 ILE 41 2HD1 ILE 41 -16.707 -28.885 -2.752 307 2HD1 ILE 41 1HD1 ILE 41 -15.811 -29.983 -1.699 308 3HD1 ILE 41 3HD1 ILE 41 -15.382 -29.849 -3.405 309 H THR 42 H THR 42 -18.533 -32.956 -2.464 310 HA THR 42 HA THR 42 -21.378 -33.367 -1.634 311 HB THR 42 HB THR 42 -21.114 -35.623 -1.578 312 HG1 THR 42 HG1 THR 42 -19.159 -36.540 -0.696 313 1HG2 THR 42 2HG2 THR 42 -20.031 -35.065 -3.758 314 2HG2 THR 42 1HG2 THR 42 -18.467 -35.069 -2.942 315 3HG2 THR 42 3HG2 THR 42 -19.408 -36.556 -3.049 316 HA PRO 43 HA PRO 43 -20.163 -32.073 2.420 317 1HB PRO 43 2HB PRO 43 -21.366 -33.865 4.050 318 2HB PRO 43 1HB PRO 43 -22.261 -32.614 3.184 319 1HG PRO 43 2HG PRO 43 -21.889 -35.506 2.488 320 2HG PRO 43 1HG PRO 43 -23.359 -34.529 2.420 321 1HD PRO 43 1HD PRO 43 -21.907 -35.069 0.210 322 2HD PRO 43 2HD PRO 43 -22.761 -33.539 0.411 323 H ASP 44 H ASP 44 -19.777 -35.513 1.705 324 HA ASP 44 HA ASP 44 -17.987 -36.152 3.824 325 1HB ASP 44 2HB ASP 44 -18.300 -37.320 1.047 326 2HB ASP 44 1HB ASP 44 -17.251 -38.020 2.281 327 H GLU 45 H GLU 45 -17.450 -34.531 0.739 328 HA GLU 45 HA GLU 45 -14.538 -34.784 0.951 329 1HB GLU 45 2HB GLU 45 -16.335 -33.147 -0.864 330 2HB GLU 45 1HB GLU 45 -14.575 -33.161 -0.982 331 1HG GLU 45 2HG GLU 45 -14.761 -35.712 -1.166 332 2HG GLU 45 1HG GLU 45 -16.488 -35.463 -1.419 333 H VAL 46 H VAL 46 -17.048 -32.413 1.635 334 HA VAL 46 HA VAL 46 -15.261 -30.249 2.286 335 HB VAL 46 HB VAL 46 -18.120 -30.831 3.098 336 1HG1 VAL 46 3HG1 VAL 46 -16.773 -29.348 4.712 337 2HG1 VAL 46 2HG1 VAL 46 -16.677 -28.188 3.387 338 3HG1 VAL 46 1HG1 VAL 46 -18.247 -28.646 4.046 339 1HG2 VAL 46 2HG2 VAL 46 -16.865 -29.829 0.733 340 2HG2 VAL 46 1HG2 VAL 46 -18.589 -30.009 1.057 341 3HG2 VAL 46 3HG2 VAL 46 -17.765 -28.508 1.476 342 H LYS 47 H LYS 47 -16.695 -32.896 4.123 343 HA LYS 47 HA LYS 47 -15.793 -31.974 6.707 344 1HB LYS 47 2HB LYS 47 -16.645 -34.673 5.645 345 2HB LYS 47 1HB LYS 47 -16.102 -34.457 7.308 346 1HG LYS 47 2HG LYS 47 -17.838 -32.658 7.570 347 2HG LYS 47 1HG LYS 47 -18.439 -33.069 5.964 348 1HD LYS 47 2HD LYS 47 -18.739 -35.442 6.778 349 2HD LYS 47 1HD LYS 47 -18.348 -34.870 8.400 350 1HE LYS 47 2HE LYS 47 -20.223 -33.098 7.945 351 2HE LYS 47 1HE LYS 47 -20.743 -34.229 6.696 352 1HZ LYS 47 2HZ LYS 47 -20.205 -35.144 9.450 353 2HZ LYS 47 1HZ LYS 47 -21.713 -34.483 9.029 354 3HZ LYS 47 3HZ LYS 47 -21.154 -35.882 8.249 355 H HIS 48 H HIS 48 -14.429 -34.084 4.220 356 HA HIS 48 HA HIS 48 -12.130 -34.909 5.729 357 1HB HIS 48 2HB HIS 48 -12.812 -36.095 3.697 358 2HB HIS 48 1HB HIS 48 -12.519 -34.648 2.732 359 HD1 HIS 48 HD1 HIS 48 -10.479 -35.276 1.391 360 HD2 HIS 48 HD2 HIS 48 -10.031 -36.164 5.438 361 HE1 HIS 48 HE1 HIS 48 -8.075 -36.013 1.700 362 H MET 49 H MET 49 -12.744 -32.156 3.554 363 HA MET 49 HA MET 49 -10.086 -31.156 3.463 364 1HB MET 49 2HB MET 49 -12.813 -29.959 3.140 365 2HB MET 49 1HB MET 49 -11.430 -28.878 3.292 366 1HG MET 49 2HG MET 49 -10.397 -30.562 1.490 367 2HG MET 49 1HG MET 49 -12.103 -30.805 1.113 368 1HE MET 49 1HE MET 49 -13.181 -29.761 -0.437 369 2HE MET 49 3HE MET 49 -12.758 -28.288 -1.322 370 3HE MET 49 2HE MET 49 -11.731 -29.715 -1.437 371 H MET 50 H MET 50 -12.732 -30.539 5.745 372 HA MET 50 HA MET 50 -11.327 -28.668 7.380 373 1HB MET 50 2HB MET 50 -13.702 -30.448 7.728 374 2HB MET 50 1HB MET 50 -12.980 -29.738 9.172 375 1HG MET 50 2HG MET 50 -13.080 -27.496 7.930 376 2HG MET 50 1HG MET 50 -14.131 -28.308 6.770 377 1HE MET 50 3HE MET 50 -13.349 -26.978 9.977 378 2HE MET 50 2HE MET 50 -14.854 -26.736 10.861 379 3HE MET 50 1HE MET 50 -14.008 -28.277 10.981 380 H ALA 51 H ALA 51 -11.725 -32.192 7.681 381 HA ALA 51 HA ALA 51 -10.171 -32.536 10.029 382 1HB ALA 51 1HB ALA 51 -10.842 -34.651 9.639 383 2HB ALA 51 2HB ALA 51 -9.667 -34.754 8.328 384 3HB ALA 51 3HB ALA 51 -11.316 -34.222 7.996 385 H GLU 52 H GLU 52 -9.248 -31.713 6.813 386 HA GLU 52 HA GLU 52 -6.405 -32.418 7.327 387 1HB GLU 52 2HB GLU 52 -7.965 -31.607 4.882 388 2HB GLU 52 1HB GLU 52 -6.207 -31.477 4.901 389 1HG GLU 52 2HG GLU 52 -6.244 -33.928 5.748 390 2HG GLU 52 1HG GLU 52 -7.913 -33.949 5.178 391 H ILE 53 H ILE 53 -8.530 -29.656 6.791 392 HA ILE 53 HA ILE 53 -6.340 -27.721 6.909 393 HB ILE 53 HB ILE 53 -9.344 -27.360 7.056 394 1HG1 ILE 53 2HG1 ILE 53 -7.415 -26.984 4.752 395 2HG1 ILE 53 1HG1 ILE 53 -8.479 -28.374 4.947 396 1HG2 ILE 53 2HG2 ILE 53 -7.749 -25.541 7.996 397 2HG2 ILE 53 1HG2 ILE 53 -7.313 -25.266 6.309 398 3HG2 ILE 53 3HG2 ILE 53 -8.983 -25.047 6.836 399 1HD1 ILE 53 2HD1 ILE 53 -9.391 -25.489 4.734 400 2HD1 ILE 53 1HD1 ILE 53 -9.473 -26.681 3.438 401 3HD1 ILE 53 3HD1 ILE 53 -10.442 -26.897 4.895 402 H ASP 54 H ASP 54 -8.699 -29.108 9.112 403 HA ASP 54 HA ASP 54 -8.442 -27.265 11.262 404 1HB ASP 54 2HB ASP 54 -10.056 -29.310 10.841 405 2HB ASP 54 1HB ASP 54 -8.816 -30.209 11.706 406 H THR 55 H THR 55 -6.338 -26.719 11.811 407 HA THR 55 HA THR 55 -4.150 -28.576 11.859 408 HB THR 55 HB THR 55 -2.982 -26.755 13.132 409 HG1 THR 55 HG1 THR 55 -4.127 -25.230 13.997 410 1HG2 THR 55 2HG2 THR 55 -4.536 -26.093 10.626 411 2HG2 THR 55 1HG2 THR 55 -3.298 -25.023 11.287 412 3HG2 THR 55 3HG2 THR 55 -2.866 -26.646 10.749 413 H ASP 56 H ASP 56 -6.191 -27.251 14.462 414 HA ASP 56 HA ASP 56 -4.845 -29.012 16.413 415 1HB ASP 56 2HB ASP 56 -6.010 -27.826 18.092 416 2HB ASP 56 1HB ASP 56 -5.657 -26.601 16.875 417 H GLY 57 H GLY 57 -8.043 -28.640 14.937 418 1HA GLY 57 1HA GLY 57 -8.580 -31.481 15.663 419 2HA GLY 57 2HA GLY 57 -9.333 -30.632 14.317 420 H ASP 58 H ASP 58 -9.862 -28.205 15.987 421 HA ASP 58 HA ASP 58 -11.635 -29.155 18.123 422 1HB ASP 58 2HB ASP 58 -12.104 -26.834 18.549 423 2HB ASP 58 1HB ASP 58 -10.380 -26.953 18.215 424 H GLY 59 H GLY 59 -11.877 -29.065 14.813 425 1HA GLY 59 1HA GLY 59 -14.842 -29.129 14.991 426 2HA GLY 59 2HA GLY 59 -13.882 -29.817 13.683 427 H PHE 60 H PHE 60 -12.540 -26.863 14.357 428 HA PHE 60 HA PHE 60 -14.091 -25.623 12.137 429 1HB PHE 60 2HB PHE 60 -13.259 -24.106 14.615 430 2HB PHE 60 1HB PHE 60 -14.237 -23.514 13.273 431 HD1 PHE 60 HD1 PHE 60 -16.516 -24.480 12.869 432 HD2 PHE 60 HD2 PHE 60 -14.229 -25.365 16.392 433 HE1 PHE 60 HE1 PHE 60 -18.570 -25.273 14.003 434 HE2 PHE 60 HE2 PHE 60 -16.283 -26.150 17.530 435 HZ PHE 60 HZ PHE 60 -18.457 -26.110 16.336 436 H ILE 61 H ILE 61 -12.971 -23.959 10.983 437 HA ILE 61 HA ILE 61 -10.013 -24.131 11.238 438 HB ILE 61 HB ILE 61 -11.609 -23.231 8.830 439 1HG1 ILE 61 2HG1 ILE 61 -12.218 -25.551 9.349 440 2HG1 ILE 61 1HG1 ILE 61 -11.186 -25.504 7.920 441 1HG2 ILE 61 1HG2 ILE 61 -9.132 -22.631 9.145 442 2HG2 ILE 61 3HG2 ILE 61 -8.804 -24.354 8.968 443 3HG2 ILE 61 2HG2 ILE 61 -9.553 -23.459 7.646 444 1HD1 ILE 61 1HD1 ILE 61 -9.216 -25.969 9.410 445 2HD1 ILE 61 3HD1 ILE 61 -10.340 -26.179 10.753 446 3HD1 ILE 61 2HD1 ILE 61 -10.396 -27.282 9.375 447 H SER 62 H SER 62 -8.991 -22.228 11.800 448 HA SER 62 HA SER 62 -10.661 -19.783 11.976 449 1HB SER 62 2HB SER 62 -8.237 -19.131 13.093 450 2HB SER 62 1HB SER 62 -9.612 -19.767 13.997 451 HG SER 62 HG SER 62 -7.232 -20.947 13.355 452 H PHE 63 H PHE 63 -9.439 -17.707 11.385 453 HA PHE 63 HA PHE 63 -8.704 -17.753 8.660 454 1HB PHE 63 2HB PHE 63 -9.336 -15.675 9.842 455 2HB PHE 63 1HB PHE 63 -7.837 -15.751 10.770 456 HD1 PHE 63 HD1 PHE 63 -8.708 -16.301 7.170 457 HD2 PHE 63 HD2 PHE 63 -6.285 -14.183 10.008 458 HE1 PHE 63 HE1 PHE 63 -7.509 -15.188 5.310 459 HE2 PHE 63 HE2 PHE 63 -5.078 -13.073 8.149 460 HZ PHE 63 HZ PHE 63 -5.697 -13.572 5.797 461 H GLN 64 H GLN 64 -6.680 -17.833 11.568 462 HA GLN 64 HA GLN 64 -4.155 -17.809 10.259 463 1HB GLN 64 2HB GLN 64 -4.580 -17.531 12.732 464 2HB GLN 64 1HB GLN 64 -4.864 -19.269 12.819 465 1HG GLN 64 2HG GLN 64 -2.557 -18.912 13.404 466 2HG GLN 64 1HG GLN 64 -2.570 -19.587 11.775 467 1HE2 GLN 64 1HE2 GLN 64 -1.143 -18.496 10.427 468 2HE2 GLN 64 2HE2 GLN 64 -0.790 -16.838 10.509 469 H GLU 65 H GLU 65 -6.227 -20.542 11.285 470 HA GLU 65 HA GLU 65 -4.507 -22.616 10.359 471 1HB GLU 65 2HB GLU 65 -7.483 -22.434 10.801 472 2HB GLU 65 1HB GLU 65 -6.740 -23.903 10.187 473 1HG GLU 65 2HG GLU 65 -5.257 -23.980 12.166 474 2HG GLU 65 1HG GLU 65 -6.024 -22.519 12.788 475 H PHE 66 H PHE 66 -7.236 -20.965 8.771 476 HA PHE 66 HA PHE 66 -7.075 -22.384 6.303 477 1HB PHE 66 2HB PHE 66 -8.987 -20.929 6.961 478 2HB PHE 66 1HB PHE 66 -7.954 -19.515 6.746 479 HD1 PHE 66 HD1 PHE 66 -7.191 -18.832 4.512 480 HD2 PHE 66 HD2 PHE 66 -9.774 -22.224 5.054 481 HE1 PHE 66 HE1 PHE 66 -7.697 -18.839 2.084 482 HE2 PHE 66 HE2 PHE 66 -10.279 -22.227 2.626 483 HZ PHE 66 HZ PHE 66 -9.240 -20.535 1.141 484 H THR 67 H THR 67 -5.391 -19.513 7.485 485 HA THR 67 HA THR 67 -4.143 -18.814 4.998 486 HB THR 67 HB THR 67 -3.327 -18.312 7.875 487 HG1 THR 67 HG1 THR 67 -4.853 -16.907 7.621 488 1HG2 THR 67 1HG2 THR 67 -2.187 -17.148 5.318 489 2HG2 THR 67 3HG2 THR 67 -1.768 -16.639 6.954 490 3HG2 THR 67 2HG2 THR 67 -1.351 -18.261 6.401 491 H ASP 68 H ASP 68 -3.011 -20.778 7.762 492 HA ASP 68 HA ASP 68 -0.467 -21.435 6.658 493 1HB ASP 68 2HB ASP 68 -2.242 -22.989 8.562 494 2HB ASP 68 1HB ASP 68 -0.565 -23.406 8.209 495 H PHE 69 H PHE 69 -3.645 -22.969 6.294 496 HA PHE 69 HA PHE 69 -2.585 -25.153 4.684 497 1HB PHE 69 2HB PHE 69 -4.544 -25.894 5.613 498 2HB PHE 69 1HB PHE 69 -5.232 -24.274 5.698 499 HD1 PHE 69 HD1 PHE 69 -6.080 -23.198 3.576 500 HD2 PHE 69 HD2 PHE 69 -5.098 -27.366 3.834 501 HE1 PHE 69 HE1 PHE 69 -7.409 -23.637 1.525 502 HE2 PHE 69 HE2 PHE 69 -6.421 -27.809 1.786 503 HZ PHE 69 HZ PHE 69 -7.580 -25.945 0.629 504 H GLY 70 H GLY 70 -4.175 -22.048 4.074 505 1HA GLY 70 1HA GLY 70 -4.350 -20.801 2.091 506 2HA GLY 70 2HA GLY 70 -4.525 -22.348 1.260 507 H ARG 71 H ARG 71 -1.731 -21.501 3.217 508 HA ARG 71 HA ARG 71 -0.069 -20.619 1.017 509 1HB ARG 71 2HB ARG 71 0.650 -21.685 3.765 510 2HB ARG 71 1HB ARG 71 1.795 -20.944 2.646 511 1HG ARG 71 2HG ARG 71 0.699 -18.841 2.760 512 2HG ARG 71 1HG ARG 71 -0.724 -19.533 3.525 513 1HD ARG 71 2HD ARG 71 0.423 -18.524 5.321 514 2HD ARG 71 1HD ARG 71 0.892 -20.222 5.433 515 HE ARG 71 HE ARG 71 2.777 -18.910 3.772 516 1HH1 ARG 71 1HH1 ARG 71 3.054 -20.509 6.460 517 2HH1 ARG 71 2HH1 ARG 71 3.950 -19.354 7.388 518 1HH2 ARG 71 1HH2 ARG 71 3.340 -16.729 5.207 519 2HH2 ARG 71 2HH2 ARG 71 4.113 -17.214 6.679 520 H ALA 72 H ALA 72 -0.729 -23.706 2.563 521 HA ALA 72 HA ALA 72 1.351 -25.111 1.053 522 1HB ALA 72 3HB ALA 72 0.538 -27.099 2.152 523 2HB ALA 72 2HB ALA 72 0.542 -25.805 3.350 524 3HB ALA 72 1HB ALA 72 -0.972 -26.301 2.593 525 H ASN 73 H ASN 73 -1.655 -23.885 0.260 526 HA ASN 73 HA ASN 73 -1.768 -25.581 -2.145 527 1HB ASN 73 2HB ASN 73 -4.041 -25.339 -0.153 528 2HB ASN 73 1HB ASN 73 -4.244 -25.948 -1.794 529 1HD2 ASN 73 1HD2 ASN 73 -3.243 -26.788 1.415 530 2HD2 ASN 73 2HD2 ASN 73 -2.709 -28.360 1.066 531 H ARG 74 H ARG 74 -0.988 -22.948 -1.974 532 HA ARG 74 HA ARG 74 -2.995 -20.974 -2.208 533 1HB ARG 74 2HB ARG 74 -0.329 -21.176 -3.640 534 2HB ARG 74 1HB ARG 74 -1.324 -19.721 -3.584 535 1HG ARG 74 2HG ARG 74 -1.234 -19.919 -1.040 536 2HG ARG 74 1HG ARG 74 0.018 -21.139 -1.273 537 1HD ARG 74 2HD ARG 74 0.106 -18.264 -2.237 538 2HD ARG 74 1HD ARG 74 1.070 -18.961 -0.935 539 HE ARG 74 HE ARG 74 1.632 -20.535 -3.172 540 1HH1 ARG 74 1HH1 ARG 74 1.162 -17.244 -3.459 541 2HH1 ARG 74 2HH1 ARG 74 2.774 -16.870 -3.970 542 1HH2 ARG 74 1HH2 ARG 74 3.998 -20.051 -3.331 543 2HH2 ARG 74 2HH2 ARG 74 4.380 -18.460 -3.897 544 H GLY 75 H GLY 75 -1.488 -22.970 -4.730 545 1HA GLY 75 1HA GLY 75 -2.336 -23.675 -6.790 546 2HA GLY 75 2HA GLY 75 -2.927 -22.021 -6.950 547 H LEU 76 H LEU 76 -3.988 -23.989 -4.268 548 HA LEU 76 HA LEU 76 -6.402 -24.936 -5.611 549 1HB LEU 76 2HB LEU 76 -5.503 -24.933 -2.722 550 2HB LEU 76 1HB LEU 76 -7.054 -25.589 -3.241 551 HG LEU 76 HG LEU 76 -5.729 -27.010 -4.905 552 1HD1 LEU 76 3HD1 LEU 76 -3.560 -25.601 -3.473 553 2HD1 LEU 76 2HD1 LEU 76 -3.324 -27.336 -3.665 554 3HD1 LEU 76 1HD1 LEU 76 -3.566 -26.319 -5.083 555 1HD2 LEU 76 1HD2 LEU 76 -5.902 -27.291 -1.961 556 2HD2 LEU 76 3HD2 LEU 76 -6.462 -28.380 -3.231 557 3HD2 LEU 76 2HD2 LEU 76 -4.762 -28.376 -2.758 558 H LEU 77 H LEU 77 -5.630 -22.440 -3.206 559 HA LEU 77 HA LEU 77 -8.282 -21.495 -2.813 560 1HB LEU 77 2HB LEU 77 -5.620 -20.061 -2.652 561 2HB LEU 77 1HB LEU 77 -7.146 -19.336 -2.146 562 HG LEU 77 HG LEU 77 -5.800 -21.796 -1.002 563 1HD1 LEU 77 1HD1 LEU 77 -6.336 -18.993 -0.119 564 2HD1 LEU 77 3HD1 LEU 77 -6.420 -20.264 1.101 565 3HD1 LEU 77 2HD1 LEU 77 -4.933 -20.017 0.187 566 1HD2 LEU 77 2HD2 LEU 77 -8.619 -20.749 -0.654 567 2HD2 LEU 77 1HD2 LEU 77 -8.120 -22.370 -1.139 568 3HD2 LEU 77 3HD2 LEU 77 -7.853 -21.823 0.516 569 H LYS 78 H LYS 78 -5.845 -20.641 -5.238 570 HA LYS 78 HA LYS 78 -7.173 -18.451 -6.432 571 1HB LYS 78 2HB LYS 78 -5.456 -20.610 -7.690 572 2HB LYS 78 1HB LYS 78 -5.948 -19.132 -8.518 573 1HG LYS 78 2HG LYS 78 -4.885 -17.813 -6.665 574 2HG LYS 78 1HG LYS 78 -4.280 -19.327 -5.993 575 1HD LYS 78 2HD LYS 78 -2.657 -18.056 -7.505 576 2HD LYS 78 1HD LYS 78 -2.926 -19.749 -7.920 577 1HE LYS 78 2HE LYS 78 -4.261 -19.218 -9.770 578 2HE LYS 78 1HE LYS 78 -4.642 -17.609 -9.156 579 1HZ LYS 78 3HZ LYS 78 -2.100 -17.262 -9.389 580 2HZ LYS 78 2HZ LYS 78 -2.196 -18.562 -10.479 581 3HZ LYS 78 1HZ LYS 78 -3.091 -17.145 -10.761 582 H ASP 79 H ASP 79 -7.815 -21.883 -6.613 583 HA ASP 79 HA ASP 79 -9.572 -21.707 -8.923 584 1HB ASP 79 2HB ASP 79 -8.448 -23.818 -8.314 585 2HB ASP 79 1HB ASP 79 -9.345 -23.855 -6.796 586 H VAL 80 H VAL 80 -10.029 -21.731 -5.408 587 HA VAL 80 HA VAL 80 -12.892 -21.837 -5.470 588 HB VAL 80 HB VAL 80 -11.125 -22.053 -3.488 589 1HG1 VAL 80 3HG1 VAL 80 -10.603 -19.538 -3.760 590 2HG1 VAL 80 2HG1 VAL 80 -12.160 -19.269 -2.979 591 3HG1 VAL 80 1HG1 VAL 80 -10.885 -20.139 -2.127 592 1HG2 VAL 80 1HG2 VAL 80 -13.976 -21.075 -3.399 593 2HG2 VAL 80 3HG2 VAL 80 -13.367 -22.707 -3.121 594 3HG2 VAL 80 2HG2 VAL 80 -13.091 -21.447 -1.918 595 H ALA 81 H ALA 81 -10.587 -19.173 -5.587 596 HA ALA 81 HA ALA 81 -12.598 -17.091 -5.427 597 1HB ALA 81 3HB ALA 81 -9.950 -17.045 -5.087 598 2HB ALA 81 2HB ALA 81 -9.987 -16.607 -6.795 599 3HB ALA 81 1HB ALA 81 -10.834 -15.611 -5.610 600 H LYS 82 H LYS 82 -11.938 -19.327 -7.818 601 HA LYS 82 HA LYS 82 -12.224 -17.623 -10.152 602 1HB LYS 82 2HB LYS 82 -12.430 -20.602 -9.701 603 2HB LYS 82 1HB LYS 82 -12.749 -19.876 -11.274 604 1HG LYS 82 2HG LYS 82 -10.441 -18.684 -10.884 605 2HG LYS 82 1HG LYS 82 -10.173 -19.990 -9.730 606 1HD LYS 82 2HD LYS 82 -10.900 -21.570 -11.643 607 2HD LYS 82 1HD LYS 82 -10.646 -20.185 -12.705 608 1HE LYS 82 2HE LYS 82 -8.422 -20.507 -10.865 609 2HE LYS 82 1HE LYS 82 -8.688 -21.979 -11.799 610 1HZ LYS 82 3HZ LYS 82 -8.548 -19.281 -13.018 611 2HZ LYS 82 2HZ LYS 82 -7.201 -20.305 -12.865 612 3HZ LYS 82 1HZ LYS 82 -8.527 -20.777 -13.815 613 H ILE 83 H ILE 83 -14.411 -19.473 -8.095 614 HA ILE 83 HA ILE 83 -16.726 -19.037 -9.806 615 HB ILE 83 HB ILE 83 -16.477 -19.926 -6.920 616 1HG1 ILE 83 2HG1 ILE 83 -16.981 -21.403 -9.518 617 2HG1 ILE 83 1HG1 ILE 83 -15.543 -21.523 -8.504 618 1HG2 ILE 83 1HG2 ILE 83 -18.839 -19.470 -8.718 619 2HG2 ILE 83 3HG2 ILE 83 -18.895 -20.772 -7.530 620 3HG2 ILE 83 2HG2 ILE 83 -18.659 -19.106 -7.002 621 1HD1 ILE 83 2HD1 ILE 83 -18.212 -22.089 -7.266 622 2HD1 ILE 83 1HD1 ILE 83 -17.491 -23.317 -8.307 623 3HD1 ILE 83 3HD1 ILE 83 -16.630 -22.762 -6.871 624 H PHE 84 H PHE 84 -15.257 -17.424 -7.050 625 HA PHE 84 HA PHE 84 -17.501 -15.475 -6.974 626 1HB PHE 84 2HB PHE 84 -15.103 -15.818 -5.146 627 2HB PHE 84 1HB PHE 84 -16.404 -14.650 -4.909 628 HD1 PHE 84 HD1 PHE 84 -16.009 -18.327 -5.614 629 HD2 PHE 84 HD2 PHE 84 -18.121 -15.261 -3.468 630 HE1 PHE 84 HE1 PHE 84 -17.358 -20.060 -4.467 631 HE2 PHE 84 HE2 PHE 84 -19.473 -16.996 -2.322 632 HZ PHE 84 HZ PHE 84 -19.091 -19.396 -2.821 No H/Q in entry = 632 Start of MODEL 15 1 H1 ALA 1 1H ALA 1 11.624 -14.302 -1.307 2 H2 ALA 1 3H ALA 1 12.267 -13.101 -0.295 3 H3 ALA 1 2H ALA 1 12.344 -14.732 0.172 4 HA ALA 1 HA ALA 1 9.940 -14.834 0.343 5 1HB ALA 1 3HB ALA 1 11.165 -12.493 1.837 6 2HB ALA 1 2HB ALA 1 9.715 -13.376 2.315 7 3HB ALA 1 1HB ALA 1 11.283 -14.185 2.321 8 H ASP 2 H ASP 2 9.172 -14.087 -1.835 9 HA ASP 2 HA ASP 2 8.697 -11.238 -2.233 10 1HB ASP 2 2HB ASP 2 7.694 -13.709 -3.673 11 2HB ASP 2 1HB ASP 2 7.297 -12.064 -4.172 12 H ASP 3 H ASP 3 7.155 -13.698 -0.454 13 HA ASP 3 HA ASP 3 4.420 -13.168 -0.682 14 1HB ASP 3 2HB ASP 3 5.983 -13.668 1.870 15 2HB ASP 3 1HB ASP 3 4.238 -13.845 1.693 16 H HIS 4 H HIS 4 3.066 -11.521 0.004 17 HA HIS 4 HA HIS 4 4.293 -9.297 1.567 18 1HB HIS 4 2HB HIS 4 2.722 -7.835 0.014 19 2HB HIS 4 1HB HIS 4 4.333 -8.291 -0.529 20 HD1 HIS 4 HD1 HIS 4 3.862 -8.501 -3.018 21 HD2 HIS 4 HD2 HIS 4 1.245 -10.763 -0.694 22 HE1 HIS 4 HE1 HIS 4 2.549 -9.951 -4.626 23 HA PRO 5 HA PRO 5 0.557 -9.235 3.950 24 1HB PRO 5 2HB PRO 5 -0.061 -6.603 4.107 25 2HB PRO 5 1HB PRO 5 1.279 -7.329 5.000 26 1HG PRO 5 2HG PRO 5 1.324 -5.811 2.413 27 2HG PRO 5 1HG PRO 5 2.396 -5.652 3.810 28 1HD PRO 5 1HD PRO 5 3.147 -7.033 1.634 29 2HD PRO 5 2HD PRO 5 3.611 -7.557 3.254 30 H GLN 6 H GLN 6 0.573 -7.715 0.820 31 HA GLN 6 HA GLN 6 -2.193 -7.111 0.536 32 1HB GLN 6 2HB GLN 6 0.080 -7.680 -1.315 33 2HB GLN 6 1HB GLN 6 -1.552 -7.762 -1.982 34 1HG GLN 6 2HG GLN 6 -2.005 -5.502 -1.469 35 2HG GLN 6 1HG GLN 6 -0.676 -5.408 -0.314 36 1HE2 GLN 6 1HE2 GLN 6 1.556 -6.150 -1.576 37 2HE2 GLN 6 2HE2 GLN 6 1.809 -5.306 -3.027 38 H ASP 7 H ASP 7 -0.366 -10.095 -0.037 39 HA ASP 7 HA ASP 7 -2.417 -11.657 -1.185 40 1HB ASP 7 2HB ASP 7 0.020 -12.248 0.433 41 2HB ASP 7 1HB ASP 7 -1.161 -13.543 0.233 42 H LYS 8 H LYS 8 -1.538 -11.465 2.267 43 HA LYS 8 HA LYS 8 -3.523 -13.038 3.386 44 1HB LYS 8 2HB LYS 8 -2.199 -10.505 4.283 45 2HB LYS 8 1HB LYS 8 -3.541 -11.142 5.232 46 1HG LYS 8 2HG LYS 8 -2.272 -13.407 5.092 47 2HG LYS 8 1HG LYS 8 -0.879 -12.426 4.637 48 1HD LYS 8 2HD LYS 8 -1.309 -11.035 6.712 49 2HD LYS 8 1HD LYS 8 -2.497 -12.247 7.191 50 1HE LYS 8 2HE LYS 8 -0.303 -12.700 8.232 51 2HE LYS 8 1HE LYS 8 -0.750 -13.990 7.117 52 1HZ LYS 8 3HZ LYS 8 0.744 -11.776 5.977 53 2HZ LYS 8 2HZ LYS 8 1.601 -12.763 7.061 54 3HZ LYS 8 1HZ LYS 8 0.876 -13.442 5.683 55 H ALA 9 H ALA 9 -3.865 -9.786 2.072 56 HA ALA 9 HA ALA 9 -6.474 -9.205 3.013 57 1HB ALA 9 2HB ALA 9 -4.678 -7.916 1.391 58 2HB ALA 9 3HB ALA 9 -6.345 -7.394 1.631 59 3HB ALA 9 1HB ALA 9 -5.924 -8.380 0.231 60 H GLU 10 H GLU 10 -5.419 -10.912 0.086 61 HA GLU 10 HA GLU 10 -8.086 -11.452 -0.864 62 1HB GLU 10 2HB GLU 10 -5.602 -13.101 -1.399 63 2HB GLU 10 1HB GLU 10 -7.043 -12.984 -2.409 64 1HG GLU 10 2HG GLU 10 -6.570 -10.542 -2.707 65 2HG GLU 10 1HG GLU 10 -5.067 -10.760 -1.810 66 H ARG 11 H ARG 11 -5.781 -13.294 1.099 67 HA ARG 11 HA ARG 11 -7.414 -15.639 1.376 68 1HB ARG 11 2HB ARG 11 -5.187 -14.477 3.058 69 2HB ARG 11 1HB ARG 11 -5.968 -16.006 3.449 70 1HG ARG 11 2HG ARG 11 -5.413 -16.785 1.117 71 2HG ARG 11 1HG ARG 11 -4.463 -15.320 0.908 72 1HD ARG 11 2HD ARG 11 -4.004 -17.572 2.876 73 2HD ARG 11 1HD ARG 11 -2.920 -17.011 1.603 74 HE ARG 11 HE ARG 11 -3.616 -15.118 3.772 75 1HH1 ARG 11 1HH1 ARG 11 -1.316 -16.087 1.537 76 2HH1 ARG 11 2HH1 ARG 11 0.045 -15.892 2.589 77 1HH2 ARG 11 1HH2 ARG 11 -1.874 -15.313 5.414 78 2HH2 ARG 11 2HH2 ARG 11 -0.269 -15.453 4.779 79 H GLU 12 H GLU 12 -7.123 -12.665 3.266 80 HA GLU 12 HA GLU 12 -8.860 -13.471 5.401 81 1HB GLU 12 2HB GLU 12 -7.980 -10.787 4.332 82 2HB GLU 12 1HB GLU 12 -9.090 -10.929 5.692 83 1HG GLU 12 2HG GLU 12 -7.366 -12.453 6.781 84 2HG GLU 12 1HG GLU 12 -6.250 -11.953 5.512 85 H ARG 13 H ARG 13 -9.417 -11.763 2.343 86 HA ARG 13 HA ARG 13 -12.209 -11.262 2.809 87 1HB ARG 13 2HB ARG 13 -10.491 -11.380 0.333 88 2HB ARG 13 1HB ARG 13 -12.235 -11.143 0.218 89 1HG ARG 13 2HG ARG 13 -12.155 -9.053 1.208 90 2HG ARG 13 1HG ARG 13 -10.708 -9.434 2.141 91 1HD ARG 13 2HD ARG 13 -9.523 -8.320 0.577 92 2HD ARG 13 1HD ARG 13 -9.902 -9.635 -0.536 93 HE ARG 13 HE ARG 13 -11.849 -7.402 -0.275 94 1HH1 ARG 13 1HH1 ARG 13 -8.993 -8.154 -1.882 95 2HH1 ARG 13 2HH1 ARG 13 -9.624 -7.917 -3.477 96 1HH2 ARG 13 1HH2 ARG 13 -12.901 -7.537 -2.411 97 2HH2 ARG 13 2HH2 ARG 13 -11.837 -7.567 -3.777 98 H ILE 14 H ILE 14 -10.447 -13.912 1.249 99 HA ILE 14 HA ILE 14 -12.827 -15.336 0.431 100 HB ILE 14 HB ILE 14 -10.057 -16.449 0.964 101 1HG1 ILE 14 2HG1 ILE 14 -11.078 -15.650 -1.744 102 2HG1 ILE 14 1HG1 ILE 14 -10.394 -14.419 -0.684 103 1HG2 ILE 14 3HG2 ILE 14 -12.543 -17.439 -0.387 104 2HG2 ILE 14 2HG2 ILE 14 -10.975 -17.943 -1.019 105 3HG2 ILE 14 1HG2 ILE 14 -11.414 -18.310 0.651 106 1HD1 ILE 14 3HD1 ILE 14 -8.913 -16.997 -1.138 107 2HD1 ILE 14 2HD1 ILE 14 -8.810 -15.702 -2.330 108 3HD1 ILE 14 1HD1 ILE 14 -8.276 -15.421 -0.672 109 H PHE 15 H PHE 15 -10.616 -15.610 3.216 110 HA PHE 15 HA PHE 15 -12.009 -17.798 4.443 111 1HB PHE 15 2HB PHE 15 -9.713 -17.138 5.096 112 2HB PHE 15 1HB PHE 15 -10.342 -15.628 5.763 113 HD1 PHE 15 HD1 PHE 15 -11.720 -15.633 7.802 114 HD2 PHE 15 HD2 PHE 15 -10.147 -19.280 6.173 115 HE1 PHE 15 HE1 PHE 15 -12.277 -16.817 9.912 116 HE2 PHE 15 HE2 PHE 15 -10.699 -20.464 8.280 117 HZ PHE 15 HZ PHE 15 -11.768 -19.236 10.150 118 H LYS 16 H LYS 16 -12.402 -14.294 4.597 119 HA LYS 16 HA LYS 16 -14.296 -14.274 6.759 120 1HB LYS 16 2HB LYS 16 -13.583 -12.364 4.548 121 2HB LYS 16 1HB LYS 16 -15.006 -12.055 5.544 122 1HG LYS 16 2HG LYS 16 -13.582 -12.226 7.580 123 2HG LYS 16 1HG LYS 16 -12.170 -12.443 6.546 124 1HD LYS 16 2HD LYS 16 -12.726 -10.238 5.458 125 2HD LYS 16 1HD LYS 16 -13.981 -10.016 6.676 126 1HE LYS 16 2HE LYS 16 -11.727 -10.725 8.158 127 2HE LYS 16 1HE LYS 16 -11.094 -9.653 6.909 128 1HZ LYS 16 1HZ LYS 16 -13.480 -8.552 7.817 129 2HZ LYS 16 3HZ LYS 16 -12.596 -8.993 9.195 130 3HZ LYS 16 2HZ LYS 16 -11.907 -7.954 8.041 131 H ARG 17 H ARG 17 -14.575 -14.855 3.306 132 HA ARG 17 HA ARG 17 -17.459 -14.618 3.204 133 1HB ARG 17 2HB ARG 17 -15.427 -15.956 1.404 134 2HB ARG 17 1HB ARG 17 -17.157 -15.973 1.060 135 1HG ARG 17 2HG ARG 17 -17.079 -13.426 1.302 136 2HG ARG 17 1HG ARG 17 -15.323 -13.576 1.257 137 1HD ARG 17 2HD ARG 17 -15.543 -14.806 -0.919 138 2HD ARG 17 1HD ARG 17 -17.274 -14.469 -0.886 139 HE ARG 17 HE ARG 17 -16.696 -12.048 -1.020 140 1HH1 ARG 17 1HH1 ARG 17 -15.196 -14.176 -3.005 141 2HH1 ARG 17 2HH1 ARG 17 -13.799 -13.211 -3.342 142 1HH2 ARG 17 1HH2 ARG 17 -14.486 -10.878 -0.870 143 2HH2 ARG 17 2HH2 ARG 17 -13.396 -11.344 -2.133 144 H PHE 18 H PHE 18 -15.184 -17.233 3.851 145 HA PHE 18 HA PHE 18 -17.123 -19.361 3.802 146 1HB PHE 18 2HB PHE 18 -14.379 -19.039 4.998 147 2HB PHE 18 1HB PHE 18 -15.340 -20.478 5.336 148 HD1 PHE 18 HD1 PHE 18 -16.347 -21.725 3.284 149 HD2 PHE 18 HD2 PHE 18 -13.117 -18.906 3.025 150 HE1 PHE 18 HE1 PHE 18 -15.693 -22.677 1.089 151 HE2 PHE 18 HE2 PHE 18 -12.463 -19.857 0.830 152 HZ PHE 18 HZ PHE 18 -13.751 -21.743 -0.138 153 H ASP 19 H ASP 19 -15.709 -17.485 6.487 154 HA ASP 19 HA ASP 19 -17.188 -18.684 8.583 155 1HB ASP 19 2HB ASP 19 -15.288 -16.861 8.629 156 2HB ASP 19 1HB ASP 19 -16.638 -15.726 8.593 157 H ALA 20 H ALA 20 -19.389 -19.002 8.271 158 HA ALA 20 HA ALA 20 -21.089 -17.173 6.876 159 1HB ALA 20 1HB ALA 20 -21.717 -19.391 8.840 160 2HB ALA 20 2HB ALA 20 -21.706 -19.503 7.081 161 3HB ALA 20 3HB ALA 20 -22.934 -18.534 7.895 162 H ASN 21 H ASN 21 -20.773 -17.780 10.421 163 HA ASN 21 HA ASN 21 -22.471 -15.417 10.894 164 1HB ASN 21 2HB ASN 21 -22.388 -16.017 13.241 165 2HB ASN 21 1HB ASN 21 -22.716 -17.467 12.298 166 1HD2 ASN 21 1HD2 ASN 21 -21.489 -17.281 14.978 167 2HD2 ASN 21 2HD2 ASN 21 -19.964 -18.009 14.853 168 H GLY 22 H GLY 22 -19.088 -16.316 11.057 169 1HA GLY 22 1HA GLY 22 -18.444 -13.442 11.391 170 2HA GLY 22 2HA GLY 22 -17.322 -14.686 10.848 171 H ASP 23 H ASP 23 -17.933 -16.539 13.023 172 HA ASP 23 HA ASP 23 -17.190 -15.021 15.449 173 1HB ASP 23 2HB ASP 23 -17.382 -17.199 16.619 174 2HB ASP 23 1HB ASP 23 -18.846 -16.802 15.723 175 H GLY 24 H GLY 24 -15.514 -15.997 12.868 176 1HA GLY 24 1HA GLY 24 -13.025 -16.235 14.444 177 2HA GLY 24 2HA GLY 24 -13.124 -15.922 12.712 178 H LYS 25 H LYS 25 -15.220 -18.433 13.452 179 HA LYS 25 HA LYS 25 -13.150 -20.416 12.633 180 1HB LYS 25 2HB LYS 25 -14.016 -22.038 14.181 181 2HB LYS 25 1HB LYS 25 -13.762 -20.555 15.094 182 1HG LYS 25 2HG LYS 25 -16.066 -20.068 15.172 183 2HG LYS 25 1HG LYS 25 -16.438 -21.160 13.838 184 1HD LYS 25 2HD LYS 25 -16.879 -22.774 15.338 185 2HD LYS 25 1HD LYS 25 -15.183 -22.737 15.822 186 1HE LYS 25 2HE LYS 25 -17.367 -20.952 16.943 187 2HE LYS 25 1HE LYS 25 -16.685 -22.362 17.757 188 1HZ LYS 25 1HZ LYS 25 -14.459 -21.173 17.371 189 2HZ LYS 25 3HZ LYS 25 -15.401 -19.782 17.138 190 3HZ LYS 25 2HZ LYS 25 -15.470 -20.615 18.617 191 H ILE 26 H ILE 26 -13.830 -21.948 11.148 192 HA ILE 26 HA ILE 26 -16.592 -21.561 10.061 193 HB ILE 26 HB ILE 26 -14.290 -22.814 8.565 194 1HG1 ILE 26 2HG1 ILE 26 -15.027 -19.878 8.742 195 2HG1 ILE 26 1HG1 ILE 26 -13.516 -20.609 9.282 196 1HG2 ILE 26 1HG2 ILE 26 -16.906 -21.485 7.818 197 2HG2 ILE 26 3HG2 ILE 26 -15.655 -21.874 6.636 198 3HG2 ILE 26 2HG2 ILE 26 -16.439 -23.164 7.549 199 1HD1 ILE 26 3HD1 ILE 26 -14.146 -21.296 6.513 200 2HD1 ILE 26 2HD1 ILE 26 -14.007 -19.554 6.751 201 3HD1 ILE 26 1HD1 ILE 26 -12.666 -20.613 7.187 202 H SER 27 H SER 27 -17.927 -23.317 10.015 203 HA SER 27 HA SER 27 -16.800 -25.906 10.977 204 1HB SER 27 2HB SER 27 -18.870 -26.369 11.967 205 2HB SER 27 1HB SER 27 -18.751 -24.622 12.185 206 HG SER 27 HG SER 27 -20.348 -24.351 10.860 207 H ALA 28 H ALA 28 -17.949 -27.865 9.996 208 HA ALA 28 HA ALA 28 -17.635 -27.947 7.217 209 1HB ALA 28 3HB ALA 28 -19.823 -29.620 8.362 210 2HB ALA 28 2HB ALA 28 -18.478 -30.092 7.325 211 3HB ALA 28 1HB ALA 28 -18.212 -29.830 9.049 212 H ALA 29 H ALA 29 -20.615 -27.320 9.065 213 HA ALA 29 HA ALA 29 -22.358 -27.048 6.857 214 1HB ALA 29 3HB ALA 29 -22.963 -27.061 9.341 215 2HB ALA 29 2HB ALA 29 -22.510 -25.357 9.359 216 3HB ALA 29 1HB ALA 29 -23.843 -25.903 8.342 217 H GLU 30 H GLU 30 -20.177 -24.683 8.357 218 HA GLU 30 HA GLU 30 -21.072 -22.527 6.625 219 1HB GLU 30 2HB GLU 30 -18.592 -22.806 8.346 220 2HB GLU 30 1HB GLU 30 -19.081 -21.323 7.526 221 1HG GLU 30 2HG GLU 30 -21.225 -21.359 8.772 222 2HG GLU 30 1HG GLU 30 -20.700 -22.815 9.615 223 H LEU 31 H LEU 31 -18.046 -24.435 6.780 224 HA LEU 31 HA LEU 31 -16.989 -23.403 4.334 225 1HB LEU 31 2HB LEU 31 -15.559 -24.608 5.905 226 2HB LEU 31 1HB LEU 31 -16.522 -26.072 5.704 227 HG LEU 31 HG LEU 31 -15.944 -25.750 3.154 228 1HD1 LEU 31 2HD1 LEU 31 -13.858 -24.105 4.598 229 2HD1 LEU 31 1HD1 LEU 31 -13.560 -24.816 3.012 230 3HD1 LEU 31 3HD1 LEU 31 -14.851 -23.631 3.218 231 1HD2 LEU 31 1HD2 LEU 31 -15.199 -27.591 4.741 232 2HD2 LEU 31 3HD2 LEU 31 -14.081 -27.242 3.423 233 3HD2 LEU 31 2HD2 LEU 31 -13.751 -26.632 5.045 234 H GLY 32 H GLY 32 -18.993 -26.246 5.039 235 1HA GLY 32 1HA GLY 32 -20.261 -27.604 3.605 236 2HA GLY 32 2HA GLY 32 -19.069 -27.241 2.357 237 H GLU 33 H GLU 33 -21.243 -25.067 4.159 238 HA GLU 33 HA GLU 33 -23.159 -24.666 2.129 239 1HB GLU 33 2HB GLU 33 -22.194 -23.081 4.469 240 2HB GLU 33 1HB GLU 33 -23.182 -22.248 3.270 241 1HG GLU 33 2HG GLU 33 -24.053 -24.924 4.331 242 2HG GLU 33 1HG GLU 33 -24.360 -23.464 5.270 243 H ALA 34 H ALA 34 -20.089 -22.953 2.707 244 HA ALA 34 HA ALA 34 -20.443 -21.237 0.385 245 1HB ALA 34 3HB ALA 34 -18.857 -20.171 1.612 246 2HB ALA 34 2HB ALA 34 -18.431 -21.644 2.483 247 3HB ALA 34 1HB ALA 34 -17.718 -21.315 0.903 248 H LEU 35 H LEU 35 -18.738 -24.245 1.110 249 HA LEU 35 HA LEU 35 -17.380 -24.554 -1.362 250 1HB LEU 35 2HB LEU 35 -18.239 -26.345 0.845 251 2HB LEU 35 1HB LEU 35 -17.902 -27.125 -0.700 252 HG LEU 35 HG LEU 35 -15.990 -25.137 0.535 253 1HD1 LEU 35 1HD1 LEU 35 -16.525 -27.180 2.020 254 2HD1 LEU 35 3HD1 LEU 35 -15.733 -28.137 0.768 255 3HD1 LEU 35 2HD1 LEU 35 -14.830 -26.892 1.629 256 1HD2 LEU 35 1HD2 LEU 35 -15.715 -27.350 -1.522 257 2HD2 LEU 35 3HD2 LEU 35 -15.687 -25.616 -1.843 258 3HD2 LEU 35 2HD2 LEU 35 -14.381 -26.364 -0.923 259 H LYS 36 H LYS 36 -20.751 -25.120 -0.476 260 HA LYS 36 HA LYS 36 -21.655 -26.811 -2.473 261 1HB LYS 36 2HB LYS 36 -22.813 -24.883 -0.748 262 2HB LYS 36 1HB LYS 36 -23.421 -24.535 -2.367 263 1HG LYS 36 2HG LYS 36 -24.369 -26.679 -2.602 264 2HG LYS 36 1HG LYS 36 -23.373 -27.360 -1.316 265 1HD LYS 36 2HD LYS 36 -24.797 -25.267 -0.099 266 2HD LYS 36 1HD LYS 36 -25.973 -26.077 -1.134 267 1HE LYS 36 2HE LYS 36 -26.164 -27.523 0.617 268 2HE LYS 36 1HE LYS 36 -24.681 -28.221 -0.035 269 1HZ LYS 36 3HZ LYS 36 -23.580 -26.370 1.398 270 2HZ LYS 36 2HZ LYS 36 -25.043 -26.427 2.260 271 3HZ LYS 36 1HZ LYS 36 -24.081 -27.820 2.122 272 H THR 37 H THR 37 -20.348 -23.609 -2.855 273 HA THR 37 HA THR 37 -21.408 -22.808 -5.325 274 HB THR 37 HB THR 37 -19.730 -21.560 -3.855 275 HG1 THR 37 HG1 THR 37 -19.182 -20.377 -5.561 276 1HG2 THR 37 3HG2 THR 37 -18.165 -23.751 -4.228 277 2HG2 THR 37 2HG2 THR 37 -17.527 -22.684 -5.479 278 3HG2 THR 37 1HG2 THR 37 -17.532 -22.163 -3.794 279 H LEU 38 H LEU 38 -19.241 -25.420 -4.590 280 HA LEU 38 HA LEU 38 -18.084 -25.801 -7.173 281 1HB LEU 38 2HB LEU 38 -18.711 -27.741 -4.936 282 2HB LEU 38 1HB LEU 38 -17.847 -28.211 -6.399 283 HG LEU 38 HG LEU 38 -16.857 -25.778 -5.004 284 1HD1 LEU 38 1HD1 LEU 38 -17.053 -28.441 -3.730 285 2HD1 LEU 38 3HD1 LEU 38 -15.447 -27.714 -3.690 286 3HD1 LEU 38 2HD1 LEU 38 -16.821 -26.855 -2.994 287 1HD2 LEU 38 2HD2 LEU 38 -16.006 -27.437 -7.056 288 2HD2 LEU 38 1HD2 LEU 38 -15.001 -26.263 -6.206 289 3HD2 LEU 38 3HD2 LEU 38 -15.014 -27.950 -5.690 290 H GLY 39 H GLY 39 -21.031 -27.134 -5.701 291 1HA GLY 39 1HA GLY 39 -22.214 -27.411 -8.388 292 2HA GLY 39 2HA GLY 39 -23.059 -27.632 -6.858 293 H SER 40 H SER 40 -20.000 -29.185 -7.694 294 HA SER 40 HA SER 40 -21.462 -31.793 -7.786 295 1HB SER 40 2HB SER 40 -19.946 -32.586 -9.383 296 2HB SER 40 1HB SER 40 -20.133 -30.899 -9.862 297 HG SER 40 HG SER 40 -18.029 -32.111 -8.425 298 H ILE 41 H ILE 41 -20.903 -30.931 -5.280 299 HA ILE 41 HA ILE 41 -18.509 -32.560 -4.540 300 HB ILE 41 HB ILE 41 -18.343 -29.975 -4.253 301 1HG1 ILE 41 2HG1 ILE 41 -17.038 -30.264 -2.199 302 2HG1 ILE 41 1HG1 ILE 41 -17.852 -31.793 -1.875 303 1HG2 ILE 41 1HG2 ILE 41 -20.717 -30.157 -3.036 304 2HG2 ILE 41 3HG2 ILE 41 -19.693 -30.442 -1.627 305 3HG2 ILE 41 2HG2 ILE 41 -19.526 -28.948 -2.553 306 1HD1 ILE 41 2HD1 ILE 41 -16.332 -31.307 -4.441 307 2HD1 ILE 41 1HD1 ILE 41 -15.542 -31.931 -2.993 308 3HD1 ILE 41 3HD1 ILE 41 -16.843 -32.849 -3.752 309 H THR 42 H THR 42 -18.680 -33.423 -2.271 310 HA THR 42 HA THR 42 -21.538 -33.983 -1.584 311 HB THR 42 HB THR 42 -21.068 -36.202 -1.393 312 HG1 THR 42 HG1 THR 42 -18.976 -36.843 -0.448 313 1HG2 THR 42 3HG2 THR 42 -19.978 -35.689 -3.548 314 2HG2 THR 42 2HG2 THR 42 -18.461 -35.380 -2.703 315 3HG2 THR 42 1HG2 THR 42 -19.149 -37.004 -2.716 316 HA PRO 43 HA PRO 43 -20.763 -32.397 2.473 317 1HB PRO 43 2HB PRO 43 -21.975 -34.200 4.089 318 2HB PRO 43 1HB PRO 43 -22.876 -33.051 3.095 319 1HG PRO 43 2HG PRO 43 -22.250 -35.936 2.565 320 2HG PRO 43 1HG PRO 43 -23.774 -35.072 2.340 321 1HD PRO 43 1HD PRO 43 -22.127 -35.589 0.270 322 2HD PRO 43 2HD PRO 43 -23.082 -34.106 0.346 323 H ASP 44 H ASP 44 -20.091 -35.830 1.976 324 HA ASP 44 HA ASP 44 -18.381 -36.137 4.264 325 1HB ASP 44 2HB ASP 44 -19.453 -37.815 2.314 326 2HB ASP 44 1HB ASP 44 -17.714 -37.877 2.022 327 H GLU 45 H GLU 45 -17.844 -34.697 1.120 328 HA GLU 45 HA GLU 45 -14.938 -35.049 1.271 329 1HB GLU 45 2HB GLU 45 -16.688 -33.368 -0.551 330 2HB GLU 45 1HB GLU 45 -14.942 -33.545 -0.725 331 1HG GLU 45 2HG GLU 45 -16.925 -35.839 -0.778 332 2HG GLU 45 1HG GLU 45 -16.201 -35.104 -2.208 333 H VAL 46 H VAL 46 -17.332 -32.503 1.798 334 HA VAL 46 HA VAL 46 -15.448 -30.424 2.393 335 HB VAL 46 HB VAL 46 -18.341 -30.847 3.166 336 1HG1 VAL 46 3HG1 VAL 46 -17.115 -29.491 4.889 337 2HG1 VAL 46 2HG1 VAL 46 -16.658 -28.363 3.613 338 3HG1 VAL 46 1HG1 VAL 46 -18.357 -28.576 4.036 339 1HG2 VAL 46 2HG2 VAL 46 -16.970 -29.876 0.853 340 2HG2 VAL 46 1HG2 VAL 46 -18.710 -29.959 1.130 341 3HG2 VAL 46 3HG2 VAL 46 -17.810 -28.516 1.598 342 H LYS 47 H LYS 47 -17.016 -32.912 4.332 343 HA LYS 47 HA LYS 47 -16.064 -31.955 6.884 344 1HB LYS 47 2HB LYS 47 -16.973 -34.687 5.943 345 2HB LYS 47 1HB LYS 47 -16.530 -34.343 7.614 346 1HG LYS 47 2HG LYS 47 -18.242 -32.514 7.637 347 2HG LYS 47 1HG LYS 47 -18.738 -33.009 6.018 348 1HD LYS 47 2HD LYS 47 -19.054 -35.359 7.027 349 2HD LYS 47 1HD LYS 47 -18.954 -34.565 8.599 350 1HE LYS 47 2HE LYS 47 -20.938 -33.392 8.282 351 2HE LYS 47 1HE LYS 47 -20.812 -33.449 6.524 352 1HZ LYS 47 3HZ LYS 47 -21.201 -35.901 8.125 353 2HZ LYS 47 2HZ LYS 47 -22.519 -34.950 7.629 354 3HZ LYS 47 1HZ LYS 47 -21.496 -35.659 6.473 355 H HIS 48 H HIS 48 -14.816 -34.230 4.480 356 HA HIS 48 HA HIS 48 -12.546 -35.095 6.015 357 1HB HIS 48 2HB HIS 48 -13.277 -36.360 4.063 358 2HB HIS 48 1HB HIS 48 -12.984 -34.972 3.015 359 HD1 HIS 48 HD1 HIS 48 -11.456 -38.019 3.687 360 HD2 HIS 48 HD2 HIS 48 -9.990 -34.116 3.686 361 HE1 HIS 48 HE1 HIS 48 -8.944 -38.197 3.418 362 H MET 49 H MET 49 -13.051 -32.438 3.701 363 HA MET 49 HA MET 49 -10.354 -31.552 3.555 364 1HB MET 49 2HB MET 49 -13.032 -30.270 3.158 365 2HB MET 49 1HB MET 49 -11.605 -29.239 3.241 366 1HG MET 49 2HG MET 49 -10.646 -31.070 1.547 367 2HG MET 49 1HG MET 49 -12.361 -31.275 1.190 368 1HE MET 49 1HE MET 49 -13.851 -29.767 0.174 369 2HE MET 49 3HE MET 49 -13.747 -28.545 1.447 370 3HE MET 49 2HE MET 49 -13.597 -28.074 -0.244 371 H MET 50 H MET 50 -12.976 -30.696 5.788 372 HA MET 50 HA MET 50 -11.497 -28.792 7.317 373 1HB MET 50 2HB MET 50 -13.957 -30.427 7.738 374 2HB MET 50 1HB MET 50 -13.200 -29.717 9.163 375 1HG MET 50 2HG MET 50 -13.190 -27.503 7.915 376 2HG MET 50 1HG MET 50 -14.205 -28.275 6.697 377 1HE MET 50 1HE MET 50 -13.457 -27.293 10.024 378 2HE MET 50 3HE MET 50 -14.947 -26.577 10.652 379 3HE MET 50 2HE MET 50 -14.558 -28.260 11.003 380 H ALA 51 H ALA 51 -12.028 -32.279 7.802 381 HA ALA 51 HA ALA 51 -10.502 -32.548 10.182 382 1HB ALA 51 1HB ALA 51 -11.936 -34.353 9.274 383 2HB ALA 51 3HB ALA 51 -10.819 -34.553 7.923 384 3HB ALA 51 2HB ALA 51 -10.294 -34.927 9.565 385 H GLU 52 H GLU 52 -9.549 -31.946 6.932 386 HA GLU 52 HA GLU 52 -6.738 -32.751 7.456 387 1HB GLU 52 2HB GLU 52 -8.284 -31.931 5.008 388 2HB GLU 52 1HB GLU 52 -6.522 -31.855 5.006 389 1HG GLU 52 2HG GLU 52 -6.656 -34.292 5.927 390 2HG GLU 52 1HG GLU 52 -8.309 -34.263 5.313 391 H ILE 53 H ILE 53 -8.740 -29.910 6.907 392 HA ILE 53 HA ILE 53 -6.471 -28.063 6.970 393 HB ILE 53 HB ILE 53 -9.457 -27.581 7.133 394 1HG1 ILE 53 2HG1 ILE 53 -7.545 -27.332 4.800 395 2HG1 ILE 53 1HG1 ILE 53 -8.662 -28.673 5.037 396 1HG2 ILE 53 2HG2 ILE 53 -7.125 -25.706 6.653 397 2HG2 ILE 53 1HG2 ILE 53 -8.825 -25.262 6.485 398 3HG2 ILE 53 3HG2 ILE 53 -8.184 -25.721 8.063 399 1HD1 ILE 53 2HD1 ILE 53 -9.605 -25.804 4.968 400 2HD1 ILE 53 1HD1 ILE 53 -9.462 -26.777 3.503 401 3HD1 ILE 53 3HD1 ILE 53 -10.565 -27.272 4.787 402 H ASP 54 H ASP 54 -8.859 -29.336 9.204 403 HA ASP 54 HA ASP 54 -8.558 -27.457 11.312 404 1HB ASP 54 2HB ASP 54 -10.212 -29.486 10.912 405 2HB ASP 54 1HB ASP 54 -9.007 -30.373 11.837 406 H THR 55 H THR 55 -6.441 -26.953 11.854 407 HA THR 55 HA THR 55 -4.310 -28.877 11.972 408 HB THR 55 HB THR 55 -3.113 -27.040 13.227 409 HG1 THR 55 HG1 THR 55 -4.196 -25.192 13.628 410 1HG2 THR 55 2HG2 THR 55 -4.515 -26.548 10.603 411 2HG2 THR 55 1HG2 THR 55 -3.366 -25.384 11.263 412 3HG2 THR 55 3HG2 THR 55 -2.838 -27.022 10.879 413 H ASP 56 H ASP 56 -6.365 -27.434 14.494 414 HA ASP 56 HA ASP 56 -5.070 -29.139 16.529 415 1HB ASP 56 2HB ASP 56 -6.238 -27.872 18.149 416 2HB ASP 56 1HB ASP 56 -5.832 -26.699 16.897 417 H GLY 57 H GLY 57 -8.303 -28.701 15.123 418 1HA GLY 57 1HA GLY 57 -8.888 -31.522 15.916 419 2HA GLY 57 2HA GLY 57 -9.614 -30.713 14.531 420 H ASP 58 H ASP 58 -10.105 -28.205 16.049 421 HA ASP 58 HA ASP 58 -11.898 -28.997 18.237 422 1HB ASP 58 2HB ASP 58 -12.288 -26.643 18.550 423 2HB ASP 58 1HB ASP 58 -10.568 -26.836 18.224 424 H GLY 59 H GLY 59 -12.114 -28.986 14.905 425 1HA GLY 59 1HA GLY 59 -15.081 -28.993 15.074 426 2HA GLY 59 2HA GLY 59 -14.132 -29.753 13.798 427 H PHE 60 H PHE 60 -12.706 -26.821 14.350 428 HA PHE 60 HA PHE 60 -14.210 -25.633 12.075 429 1HB PHE 60 2HB PHE 60 -13.405 -24.021 14.501 430 2HB PHE 60 1HB PHE 60 -14.383 -23.493 13.133 431 HD1 PHE 60 HD1 PHE 60 -16.637 -24.573 12.738 432 HD2 PHE 60 HD2 PHE 60 -14.386 -25.138 16.349 433 HE1 PHE 60 HE1 PHE 60 -18.687 -25.348 13.897 434 HE2 PHE 60 HE2 PHE 60 -16.435 -25.906 17.508 435 HZ PHE 60 HZ PHE 60 -18.588 -26.015 16.283 436 H ILE 61 H ILE 61 -13.057 -24.017 10.896 437 HA ILE 61 HA ILE 61 -10.104 -24.226 11.180 438 HB ILE 61 HB ILE 61 -11.671 -23.355 8.742 439 1HG1 ILE 61 2HG1 ILE 61 -12.313 -25.652 9.292 440 2HG1 ILE 61 1HG1 ILE 61 -11.249 -25.656 7.885 441 1HG2 ILE 61 3HG2 ILE 61 -8.820 -24.310 9.161 442 2HG2 ILE 61 2HG2 ILE 61 -9.538 -23.932 7.595 443 3HG2 ILE 61 1HG2 ILE 61 -9.320 -22.658 8.795 444 1HD1 ILE 61 1HD1 ILE 61 -9.321 -26.037 9.520 445 2HD1 ILE 61 3HD1 ILE 61 -10.549 -26.355 10.745 446 3HD1 ILE 61 2HD1 ILE 61 -10.438 -27.389 9.319 447 H SER 62 H SER 62 -9.055 -22.334 11.725 448 HA SER 62 HA SER 62 -10.689 -19.857 11.839 449 1HB SER 62 2HB SER 62 -8.096 -19.423 12.913 450 2HB SER 62 1HB SER 62 -9.613 -19.575 13.799 451 HG SER 62 HG SER 62 -7.758 -21.589 13.111 452 H PHE 63 H PHE 63 -9.447 -17.809 11.210 453 HA PHE 63 HA PHE 63 -8.672 -17.915 8.503 454 1HB PHE 63 2HB PHE 63 -9.246 -15.797 9.664 455 2HB PHE 63 1HB PHE 63 -7.734 -15.900 10.571 456 HD1 PHE 63 HD1 PHE 63 -8.745 -16.442 7.003 457 HD2 PHE 63 HD2 PHE 63 -6.082 -14.478 9.737 458 HE1 PHE 63 HE1 PHE 63 -7.540 -15.423 5.092 459 HE2 PHE 63 HE2 PHE 63 -4.868 -13.465 7.827 460 HZ PHE 63 HZ PHE 63 -5.601 -13.935 5.503 461 H GLN 64 H GLN 64 -6.695 -18.026 11.439 462 HA GLN 64 HA GLN 64 -4.145 -18.078 10.192 463 1HB GLN 64 2HB GLN 64 -4.615 -17.832 12.661 464 2HB GLN 64 1HB GLN 64 -4.964 -19.559 12.709 465 1HG GLN 64 2HG GLN 64 -2.678 -19.403 13.330 466 2HG GLN 64 1HG GLN 64 -2.637 -19.871 11.630 467 1HE2 GLN 64 1HE2 GLN 64 -1.182 -18.642 10.438 468 2HE2 GLN 64 2HE2 GLN 64 -0.766 -17.029 10.762 469 H GLU 65 H GLU 65 -6.245 -20.799 11.219 470 HA GLU 65 HA GLU 65 -4.586 -22.874 10.212 471 1HB GLU 65 2HB GLU 65 -7.556 -22.663 10.701 472 2HB GLU 65 1HB GLU 65 -6.832 -24.135 10.070 473 1HG GLU 65 2HG GLU 65 -5.358 -24.281 12.025 474 2HG GLU 65 1HG GLU 65 -6.010 -22.769 12.650 475 H PHE 66 H PHE 66 -7.290 -21.121 8.705 476 HA PHE 66 HA PHE 66 -7.176 -22.490 6.192 477 1HB PHE 66 2HB PHE 66 -9.115 -21.133 6.872 478 2HB PHE 66 1HB PHE 66 -8.120 -19.677 6.825 479 HD1 PHE 66 HD1 PHE 66 -9.634 -22.370 4.779 480 HD2 PHE 66 HD2 PHE 66 -7.523 -18.626 4.737 481 HE1 PHE 66 HE1 PHE 66 -10.099 -22.134 2.354 482 HE2 PHE 66 HE2 PHE 66 -7.990 -18.394 2.311 483 HZ PHE 66 HZ PHE 66 -9.276 -20.148 1.121 484 H THR 67 H THR 67 -5.498 -19.653 7.455 485 HA THR 67 HA THR 67 -4.313 -18.849 4.959 486 HB THR 67 HB THR 67 -3.489 -18.389 7.838 487 HG1 THR 67 HG1 THR 67 -5.180 -17.147 7.515 488 1HG2 THR 67 3HG2 THR 67 -2.336 -17.292 5.262 489 2HG2 THR 67 2HG2 THR 67 -2.031 -16.587 6.851 490 3HG2 THR 67 1HG2 THR 67 -1.489 -18.227 6.494 491 H ASP 68 H ASP 68 -3.059 -20.800 7.683 492 HA ASP 68 HA ASP 68 -0.536 -21.383 6.484 493 1HB ASP 68 2HB ASP 68 -2.159 -23.033 8.444 494 2HB ASP 68 1HB ASP 68 -0.450 -23.278 8.081 495 H PHE 69 H PHE 69 -3.698 -22.941 6.219 496 HA PHE 69 HA PHE 69 -2.709 -25.190 4.680 497 1HB PHE 69 2HB PHE 69 -4.709 -25.798 5.621 498 2HB PHE 69 1HB PHE 69 -5.326 -24.149 5.616 499 HD1 PHE 69 HD1 PHE 69 -5.976 -23.136 3.344 500 HD2 PHE 69 HD2 PHE 69 -5.440 -27.342 4.005 501 HE1 PHE 69 HE1 PHE 69 -7.308 -23.624 1.306 502 HE2 PHE 69 HE2 PHE 69 -6.764 -27.833 1.971 503 HZ PHE 69 HZ PHE 69 -7.703 -25.977 0.619 504 H GLY 70 H GLY 70 -4.185 -22.058 3.932 505 1HA GLY 70 1HA GLY 70 -4.270 -20.862 1.914 506 2HA GLY 70 2HA GLY 70 -4.499 -22.426 1.130 507 H ARG 71 H ARG 71 -1.666 -21.735 3.078 508 HA ARG 71 HA ARG 71 0.024 -20.917 0.872 509 1HB ARG 71 2HB ARG 71 0.715 -22.028 3.609 510 2HB ARG 71 1HB ARG 71 1.886 -21.343 2.481 511 1HG ARG 71 2HG ARG 71 0.617 -19.204 2.502 512 2HG ARG 71 1HG ARG 71 -0.489 -19.893 3.690 513 1HD ARG 71 2HD ARG 71 2.501 -19.525 4.055 514 2HD ARG 71 1HD ARG 71 1.244 -18.541 4.803 515 HE ARG 71 HE ARG 71 0.982 -21.393 5.382 516 1HH1 ARG 71 1HH1 ARG 71 0.880 -18.432 6.783 517 2HH1 ARG 71 2HH1 ARG 71 1.802 -18.830 8.195 518 1HH2 ARG 71 1HH2 ARG 71 2.843 -21.904 6.974 519 2HH2 ARG 71 2HH2 ARG 71 2.912 -20.795 8.303 520 H ALA 72 H ALA 72 -0.832 -23.986 2.351 521 HA ALA 72 HA ALA 72 1.216 -25.546 1.037 522 1HB ALA 72 3HB ALA 72 0.398 -27.073 2.474 523 2HB ALA 72 1HB ALA 72 -1.079 -27.158 1.514 524 3HB ALA 72 2HB ALA 72 -0.962 -26.013 2.850 525 H ASN 73 H ASN 73 -1.807 -24.201 0.029 526 HA ASN 73 HA ASN 73 -1.440 -25.485 -2.626 527 1HB ASN 73 2HB ASN 73 -4.152 -25.270 -1.294 528 2HB ASN 73 1HB ASN 73 -3.756 -26.104 -2.798 529 1HD2 ASN 73 1HD2 ASN 73 -4.207 -26.588 0.530 530 2HD2 ASN 73 2HD2 ASN 73 -3.430 -28.090 0.671 531 H ARG 74 H ARG 74 -0.578 -23.045 -2.462 532 HA ARG 74 HA ARG 74 -2.332 -20.848 -2.429 533 1HB ARG 74 2HB ARG 74 0.117 -21.282 -4.168 534 2HB ARG 74 1HB ARG 74 -0.672 -19.725 -3.918 535 1HG ARG 74 2HG ARG 74 -0.293 -19.999 -1.450 536 2HG ARG 74 1HG ARG 74 0.633 -21.458 -1.800 537 1HD ARG 74 2HD ARG 74 2.231 -19.682 -1.612 538 2HD ARG 74 1HD ARG 74 2.076 -20.023 -3.335 539 HE ARG 74 HE ARG 74 0.779 -17.698 -1.972 540 1HH1 ARG 74 1HH1 ARG 74 1.062 -19.444 -4.855 541 2HH1 ARG 74 2HH1 ARG 74 1.327 -18.058 -5.861 542 1HH2 ARG 74 1HH2 ARG 74 1.555 -15.843 -3.201 543 2HH2 ARG 74 2HH2 ARG 74 1.607 -16.020 -4.924 544 H GLY 75 H GLY 75 -1.482 -23.009 -5.101 545 1HA GLY 75 1HA GLY 75 -2.623 -23.478 -7.083 546 2HA GLY 75 2HA GLY 75 -2.910 -21.741 -7.173 547 H LEU 76 H LEU 76 -4.064 -23.467 -4.392 548 HA LEU 76 HA LEU 76 -6.727 -23.973 -5.493 549 1HB LEU 76 2HB LEU 76 -5.541 -24.176 -2.718 550 2HB LEU 76 1HB LEU 76 -7.251 -24.469 -3.035 551 HG LEU 76 HG LEU 76 -4.940 -25.927 -4.357 552 1HD1 LEU 76 3HD1 LEU 76 -5.869 -26.290 -1.811 553 2HD1 LEU 76 2HD1 LEU 76 -6.922 -27.379 -2.714 554 3HD1 LEU 76 1HD1 LEU 76 -5.171 -27.574 -2.798 555 1HD2 LEU 76 3HD2 LEU 76 -7.790 -25.675 -4.967 556 2HD2 LEU 76 2HD2 LEU 76 -6.494 -26.361 -5.945 557 3HD2 LEU 76 1HD2 LEU 76 -7.299 -27.353 -4.730 558 H LEU 77 H LEU 77 -5.271 -21.656 -3.235 559 HA LEU 77 HA LEU 77 -7.659 -20.246 -2.587 560 1HB LEU 77 2HB LEU 77 -4.743 -19.472 -2.630 561 2HB LEU 77 1HB LEU 77 -5.990 -18.310 -2.181 562 HG LEU 77 HG LEU 77 -4.844 -19.746 -0.309 563 1HD1 LEU 77 3HD1 LEU 77 -7.544 -18.733 -0.693 564 2HD1 LEU 77 2HD1 LEU 77 -7.517 -20.081 0.444 565 3HD1 LEU 77 1HD1 LEU 77 -6.518 -18.659 0.740 566 1HD2 LEU 77 3HD2 LEU 77 -6.907 -21.675 -1.417 567 2HD2 LEU 77 2HD2 LEU 77 -5.161 -21.929 -1.376 568 3HD2 LEU 77 1HD2 LEU 77 -6.077 -21.861 0.130 569 H LYS 78 H LYS 78 -5.394 -19.911 -5.287 570 HA LYS 78 HA LYS 78 -6.659 -17.515 -6.327 571 1HB LYS 78 2HB LYS 78 -4.916 -19.535 -7.771 572 2HB LYS 78 1HB LYS 78 -5.263 -17.888 -8.296 573 1HG LYS 78 2HG LYS 78 -4.232 -17.083 -6.129 574 2HG LYS 78 1HG LYS 78 -3.715 -18.743 -5.835 575 1HD LYS 78 2HD LYS 78 -3.003 -17.133 -8.305 576 2HD LYS 78 1HD LYS 78 -1.938 -17.359 -6.918 577 1HE LYS 78 2HE LYS 78 -3.040 -19.885 -7.897 578 2HE LYS 78 1HE LYS 78 -2.105 -19.039 -9.130 579 1HZ LYS 78 1HZ LYS 78 -1.018 -19.226 -6.412 580 2HZ LYS 78 3HZ LYS 78 -0.942 -20.595 -7.409 581 3HZ LYS 78 2HZ LYS 78 -0.202 -19.147 -7.900 582 H ASP 79 H ASP 79 -7.154 -20.963 -6.652 583 HA ASP 79 HA ASP 79 -8.906 -20.706 -8.979 584 1HB ASP 79 2HB ASP 79 -7.570 -22.778 -8.475 585 2HB ASP 79 1HB ASP 79 -8.612 -23.048 -7.078 586 H VAL 80 H VAL 80 -9.318 -21.301 -5.495 587 HA VAL 80 HA VAL 80 -12.194 -21.391 -5.602 588 HB VAL 80 HB VAL 80 -10.405 -20.657 -3.267 589 1HG1 VAL 80 3HG1 VAL 80 -12.884 -20.140 -3.104 590 2HG1 VAL 80 2HG1 VAL 80 -13.179 -21.871 -3.273 591 3HG1 VAL 80 1HG1 VAL 80 -12.279 -21.262 -1.885 592 1HG2 VAL 80 2HG2 VAL 80 -11.137 -23.246 -4.561 593 2HG2 VAL 80 1HG2 VAL 80 -9.644 -22.782 -3.746 594 3HG2 VAL 80 3HG2 VAL 80 -11.071 -23.207 -2.799 595 H ALA 81 H ALA 81 -9.851 -18.807 -4.944 596 HA ALA 81 HA ALA 81 -11.604 -16.756 -4.174 597 1HB ALA 81 1HB ALA 81 -9.885 -15.315 -5.626 598 2HB ALA 81 2HB ALA 81 -8.989 -16.834 -5.614 599 3HB ALA 81 3HB ALA 81 -9.409 -16.044 -4.093 600 H LYS 82 H LYS 82 -10.696 -17.735 -7.474 601 HA LYS 82 HA LYS 82 -12.274 -15.812 -8.854 602 1HB LYS 82 2HB LYS 82 -11.576 -18.647 -9.685 603 2HB LYS 82 1HB LYS 82 -12.161 -17.382 -10.765 604 1HG LYS 82 2HG LYS 82 -10.195 -16.002 -10.227 605 2HG LYS 82 1HG LYS 82 -9.611 -17.250 -9.127 606 1HD LYS 82 2HD LYS 82 -9.651 -18.847 -11.106 607 2HD LYS 82 1HD LYS 82 -9.932 -17.439 -12.132 608 1HE LYS 82 2HE LYS 82 -7.734 -16.995 -10.269 609 2HE LYS 82 1HE LYS 82 -7.445 -18.400 -11.294 610 1HZ LYS 82 2HZ LYS 82 -8.427 -15.872 -12.451 611 2HZ LYS 82 1HZ LYS 82 -6.770 -16.095 -12.151 612 3HZ LYS 82 3HZ LYS 82 -7.586 -17.139 -13.209 613 H ILE 83 H ILE 83 -13.125 -18.829 -7.288 614 HA ILE 83 HA ILE 83 -15.705 -19.165 -8.511 615 HB ILE 83 HB ILE 83 -14.651 -20.061 -5.813 616 1HG1 ILE 83 2HG1 ILE 83 -14.975 -21.500 -8.464 617 2HG1 ILE 83 1HG1 ILE 83 -13.445 -20.987 -7.753 618 1HG2 ILE 83 2HG2 ILE 83 -17.304 -19.936 -6.604 619 2HG2 ILE 83 1HG2 ILE 83 -16.839 -21.582 -7.034 620 3HG2 ILE 83 3HG2 ILE 83 -16.656 -21.019 -5.373 621 1HD1 ILE 83 3HD1 ILE 83 -14.291 -22.379 -5.677 622 2HD1 ILE 83 2HD1 ILE 83 -15.299 -23.181 -6.883 623 3HD1 ILE 83 1HD1 ILE 83 -13.542 -23.204 -7.045 624 H PHE 84 H PHE 84 -14.567 -17.355 -5.703 625 HA PHE 84 HA PHE 84 -17.347 -16.361 -5.269 626 1HB PHE 84 2HB PHE 84 -14.904 -16.171 -3.479 627 2HB PHE 84 1HB PHE 84 -16.523 -15.601 -3.070 628 HD1 PHE 84 HD1 PHE 84 -14.768 -18.698 -4.276 629 HD2 PHE 84 HD2 PHE 84 -17.966 -17.038 -1.935 630 HE1 PHE 84 HE1 PHE 84 -15.377 -20.971 -3.495 631 HE2 PHE 84 HE2 PHE 84 -18.574 -19.312 -1.154 632 HZ PHE 84 HZ PHE 84 -17.279 -21.279 -1.934 No H/Q in entry = 632 Start of MODEL 16 1 H1 ALA 1 2H ALA 1 9.820 -13.840 0.691 2 H2 ALA 1 1H ALA 1 11.497 -13.585 0.600 3 H3 ALA 1 3H ALA 1 10.723 -13.595 2.108 4 HA ALA 1 HA ALA 1 9.930 -11.503 1.904 5 1HB ALA 1 1HB ALA 1 12.221 -11.020 1.756 6 2HB ALA 1 3HB ALA 1 12.367 -11.746 0.155 7 3HB ALA 1 2HB ALA 1 11.568 -10.186 0.347 8 H ASP 2 H ASP 2 10.005 -13.267 -1.095 9 HA ASP 2 HA ASP 2 8.873 -11.317 -2.834 10 1HB ASP 2 2HB ASP 2 8.658 -14.336 -2.778 11 2HB ASP 2 1HB ASP 2 7.973 -13.353 -4.071 12 H ASP 3 H ASP 3 7.446 -13.319 -0.334 13 HA ASP 3 HA ASP 3 4.697 -12.852 -1.174 14 1HB ASP 3 2HB ASP 3 5.859 -13.804 1.462 15 2HB ASP 3 1HB ASP 3 4.139 -13.786 1.075 16 H HIS 4 H HIS 4 3.334 -11.207 -0.513 17 HA HIS 4 HA HIS 4 4.509 -9.177 1.346 18 1HB HIS 4 2HB HIS 4 2.655 -7.747 -0.029 19 2HB HIS 4 1HB HIS 4 4.341 -7.859 -0.517 20 HD1 HIS 4 HD1 HIS 4 0.941 -9.308 -1.300 21 HD2 HIS 4 HD2 HIS 4 4.795 -9.303 -2.884 22 HE1 HIS 4 HE1 HIS 4 0.772 -10.365 -3.595 23 HA PRO 5 HA PRO 5 0.909 -9.412 3.915 24 1HB PRO 5 2HB PRO 5 0.191 -6.829 4.283 25 2HB PRO 5 1HB PRO 5 1.618 -7.544 5.038 26 1HG PRO 5 2HG PRO 5 1.420 -5.849 2.573 27 2HG PRO 5 1HG PRO 5 2.586 -5.750 3.897 28 1HD PRO 5 1HD PRO 5 3.198 -6.939 1.555 29 2HD PRO 5 2HD PRO 5 3.844 -7.524 3.090 30 H GLN 6 H GLN 6 0.661 -7.675 0.902 31 HA GLN 6 HA GLN 6 -2.151 -7.216 0.844 32 1HB GLN 6 2HB GLN 6 0.018 -7.483 -1.197 33 2HB GLN 6 1HB GLN 6 -1.654 -7.564 -1.752 34 1HG GLN 6 2HG GLN 6 -2.151 -5.397 -0.868 35 2HG GLN 6 1HG GLN 6 -0.644 -5.350 0.047 36 1HE2 GLN 6 1HE2 GLN 6 1.413 -5.288 -1.306 37 2HE2 GLN 6 2HE2 GLN 6 1.357 -4.536 -2.827 38 H ASP 7 H ASP 7 -0.187 -10.038 0.014 39 HA ASP 7 HA ASP 7 -2.136 -11.634 -1.239 40 1HB ASP 7 2HB ASP 7 0.181 -12.311 0.565 41 2HB ASP 7 1HB ASP 7 -0.872 -13.576 -0.071 42 H LYS 8 H LYS 8 -1.398 -11.466 2.245 43 HA LYS 8 HA LYS 8 -3.355 -13.206 3.216 44 1HB LYS 8 2HB LYS 8 -2.126 -10.694 4.301 45 2HB LYS 8 1HB LYS 8 -3.467 -11.436 5.173 46 1HG LYS 8 2HG LYS 8 -2.100 -13.646 4.892 47 2HG LYS 8 1HG LYS 8 -0.739 -12.567 4.589 48 1HD LYS 8 2HD LYS 8 -1.350 -11.376 6.751 49 2HD LYS 8 1HD LYS 8 -2.470 -12.701 7.069 50 1HE LYS 8 2HE LYS 8 -0.162 -12.959 8.111 51 2HE LYS 8 1HE LYS 8 -0.688 -14.311 7.108 52 1HZ LYS 8 3HZ LYS 8 0.838 -12.104 5.903 53 2HZ LYS 8 2HZ LYS 8 1.656 -13.311 6.774 54 3HZ LYS 8 1HZ LYS 8 0.726 -13.725 5.414 55 H ALA 9 H ALA 9 -3.728 -9.884 2.092 56 HA ALA 9 HA ALA 9 -6.350 -9.358 2.971 57 1HB ALA 9 3HB ALA 9 -4.605 -7.976 1.455 58 2HB ALA 9 1HB ALA 9 -6.324 -7.589 1.495 59 3HB ALA 9 2HB ALA 9 -5.671 -8.566 0.180 60 H GLU 10 H GLU 10 -5.231 -11.104 0.103 61 HA GLU 10 HA GLU 10 -7.879 -11.674 -0.902 62 1HB GLU 10 2HB GLU 10 -5.363 -13.301 -1.356 63 2HB GLU 10 1HB GLU 10 -6.787 -13.229 -2.394 64 1HG GLU 10 2HG GLU 10 -6.355 -10.819 -2.792 65 2HG GLU 10 1HG GLU 10 -4.906 -10.925 -1.792 66 H ARG 11 H ARG 11 -5.627 -13.393 1.210 67 HA ARG 11 HA ARG 11 -7.198 -15.791 1.465 68 1HB ARG 11 2HB ARG 11 -5.150 -14.545 3.320 69 2HB ARG 11 1HB ARG 11 -5.812 -16.164 3.511 70 1HG ARG 11 2HG ARG 11 -5.050 -16.420 0.984 71 2HG ARG 11 1HG ARG 11 -3.957 -15.104 1.408 72 1HD ARG 11 2HD ARG 11 -3.458 -16.620 3.516 73 2HD ARG 11 1HD ARG 11 -4.057 -17.907 2.470 74 HE ARG 11 HE ARG 11 -1.648 -16.244 1.934 75 1HH1 ARG 11 1HH1 ARG 11 -1.661 -19.264 2.382 76 2HH1 ARG 11 2HH1 ARG 11 -1.502 -19.840 0.757 77 1HH2 ARG 11 1HH2 ARG 11 -2.346 -16.800 -0.685 78 2HH2 ARG 11 2HH2 ARG 11 -1.893 -18.445 -0.981 79 H GLU 12 H GLU 12 -7.015 -12.798 3.328 80 HA GLU 12 HA GLU 12 -8.833 -13.578 5.401 81 1HB GLU 12 2HB GLU 12 -7.851 -10.944 4.329 82 2HB GLU 12 1HB GLU 12 -9.142 -10.984 5.524 83 1HG GLU 12 2HG GLU 12 -7.637 -12.455 6.945 84 2HG GLU 12 1HG GLU 12 -6.341 -12.093 5.804 85 H ARG 13 H ARG 13 -9.289 -11.996 2.262 86 HA ARG 13 HA ARG 13 -12.105 -11.508 2.602 87 1HB ARG 13 2HB ARG 13 -10.424 -11.827 0.099 88 2HB ARG 13 1HB ARG 13 -12.105 -11.298 0.099 89 1HG ARG 13 2HG ARG 13 -11.551 -9.345 1.428 90 2HG ARG 13 1HG ARG 13 -9.894 -9.910 1.641 91 1HD ARG 13 2HD ARG 13 -9.509 -8.529 -0.148 92 2HD ARG 13 1HD ARG 13 -10.038 -9.944 -1.060 93 HE ARG 13 HE ARG 13 -12.045 -7.892 -0.259 94 1HH1 ARG 13 1HH1 ARG 13 -11.892 -10.453 -2.224 95 2HH1 ARG 13 2HH1 ARG 13 -12.170 -9.623 -3.719 96 1HH2 ARG 13 1HH2 ARG 13 -11.708 -6.467 -2.360 97 2HH2 ARG 13 2HH2 ARG 13 -12.066 -7.367 -3.796 98 H ILE 14 H ILE 14 -10.243 -14.187 1.221 99 HA ILE 14 HA ILE 14 -12.566 -15.677 0.358 100 HB ILE 14 HB ILE 14 -9.794 -16.705 1.039 101 1HG1 ILE 14 2HG1 ILE 14 -10.752 -16.057 -1.731 102 2HG1 ILE 14 1HG1 ILE 14 -10.120 -14.767 -0.712 103 1HG2 ILE 14 1HG2 ILE 14 -12.245 -17.865 -0.156 104 2HG2 ILE 14 3HG2 ILE 14 -10.742 -18.232 -1.003 105 3HG2 ILE 14 2HG2 ILE 14 -10.924 -18.662 0.698 106 1HD1 ILE 14 1HD1 ILE 14 -8.434 -17.144 -0.615 107 2HD1 ILE 14 3HD1 ILE 14 -8.609 -16.536 -2.260 108 3HD1 ILE 14 2HD1 ILE 14 -7.994 -15.478 -0.991 109 H PHE 15 H PHE 15 -10.459 -15.827 3.240 110 HA PHE 15 HA PHE 15 -11.884 -17.981 4.486 111 1HB PHE 15 2HB PHE 15 -9.627 -17.288 5.221 112 2HB PHE 15 1HB PHE 15 -10.285 -15.752 5.791 113 HD1 PHE 15 HD1 PHE 15 -10.149 -19.395 6.351 114 HD2 PHE 15 HD2 PHE 15 -11.722 -15.661 7.779 115 HE1 PHE 15 HE1 PHE 15 -10.812 -20.488 8.476 116 HE2 PHE 15 HE2 PHE 15 -12.383 -16.754 9.907 117 HZ PHE 15 HZ PHE 15 -11.931 -19.172 10.254 118 H LYS 16 H LYS 16 -12.307 -14.475 4.500 119 HA LYS 16 HA LYS 16 -14.296 -14.401 6.574 120 1HB LYS 16 2HB LYS 16 -13.530 -12.558 4.319 121 2HB LYS 16 1HB LYS 16 -14.969 -12.228 5.283 122 1HG LYS 16 2HG LYS 16 -13.525 -12.409 7.346 123 2HG LYS 16 1HG LYS 16 -12.121 -12.502 6.284 124 1HD LYS 16 2HD LYS 16 -13.050 -10.318 5.227 125 2HD LYS 16 1HD LYS 16 -14.023 -10.198 6.694 126 1HE LYS 16 2HE LYS 16 -12.166 -9.903 8.064 127 2HE LYS 16 1HE LYS 16 -11.083 -10.735 6.947 128 1HZ LYS 16 3HZ LYS 16 -12.360 -8.149 6.280 129 2HZ LYS 16 2HZ LYS 16 -10.865 -8.241 7.080 130 3HZ LYS 16 1HZ LYS 16 -11.039 -8.891 5.521 131 H ARG 17 H ARG 17 -14.401 -15.109 3.141 132 HA ARG 17 HA ARG 17 -17.269 -14.903 2.861 133 1HB ARG 17 2HB ARG 17 -15.111 -16.292 1.268 134 2HB ARG 17 1HB ARG 17 -16.815 -16.425 0.834 135 1HG ARG 17 2HG ARG 17 -16.832 -13.833 0.962 136 2HG ARG 17 1HG ARG 17 -15.075 -13.962 0.886 137 1HD ARG 17 2HD ARG 17 -15.503 -15.504 -1.165 138 2HD ARG 17 1HD ARG 17 -17.114 -14.787 -1.173 139 HE ARG 17 HE ARG 17 -15.918 -12.548 -1.360 140 1HH1 ARG 17 1HH1 ARG 17 -13.398 -14.598 -1.185 141 2HH1 ARG 17 2HH1 ARG 17 -12.737 -14.282 -2.755 142 1HH2 ARG 17 1HH2 ARG 17 -15.514 -12.525 -3.861 143 2HH2 ARG 17 2HH2 ARG 17 -13.935 -13.108 -4.270 144 H PHE 18 H PHE 18 -15.033 -17.482 3.753 145 HA PHE 18 HA PHE 18 -17.016 -19.583 3.752 146 1HB PHE 18 2HB PHE 18 -14.280 -19.292 4.986 147 2HB PHE 18 1HB PHE 18 -15.273 -20.720 5.277 148 HD1 PHE 18 HD1 PHE 18 -16.194 -21.975 3.220 149 HD2 PHE 18 HD2 PHE 18 -13.008 -19.102 3.010 150 HE1 PHE 18 HE1 PHE 18 -15.497 -22.907 1.029 151 HE2 PHE 18 HE2 PHE 18 -12.312 -20.033 0.821 152 HZ PHE 18 HZ PHE 18 -13.556 -21.935 -0.170 153 H ASP 19 H ASP 19 -15.531 -17.685 6.390 154 HA ASP 19 HA ASP 19 -17.080 -18.771 8.499 155 1HB ASP 19 2HB ASP 19 -15.095 -17.059 8.556 156 2HB ASP 19 1HB ASP 19 -16.370 -15.844 8.445 157 H ALA 20 H ALA 20 -19.280 -18.990 8.194 158 HA ALA 20 HA ALA 20 -20.900 -17.145 6.733 159 1HB ALA 20 2HB ALA 20 -21.228 -19.664 7.930 160 2HB ALA 20 1HB ALA 20 -22.408 -18.616 8.716 161 3HB ALA 20 3HB ALA 20 -22.413 -18.789 6.961 162 H ASN 21 H ASN 21 -20.652 -17.633 10.301 163 HA ASN 21 HA ASN 21 -22.237 -15.176 10.668 164 1HB ASN 21 2HB ASN 21 -22.191 -15.693 13.039 165 2HB ASN 21 1HB ASN 21 -22.595 -17.154 12.144 166 1HD2 ASN 21 1HD2 ASN 21 -21.363 -16.952 14.823 167 2HD2 ASN 21 2HD2 ASN 21 -19.879 -17.761 14.724 168 H GLY 22 H GLY 22 -18.920 -16.147 10.651 169 1HA GLY 22 1HA GLY 22 -18.122 -13.336 10.944 170 2HA GLY 22 2HA GLY 22 -17.051 -14.676 10.545 171 H ASP 23 H ASP 23 -17.642 -16.372 12.739 172 HA ASP 23 HA ASP 23 -17.003 -14.713 15.119 173 1HB ASP 23 2HB ASP 23 -17.403 -16.745 16.437 174 2HB ASP 23 1HB ASP 23 -18.774 -16.416 15.382 175 H GLY 24 H GLY 24 -15.298 -15.948 12.676 176 1HA GLY 24 1HA GLY 24 -12.889 -16.245 14.372 177 2HA GLY 24 2HA GLY 24 -12.894 -15.959 12.634 178 H LYS 25 H LYS 25 -15.123 -18.386 13.472 179 HA LYS 25 HA LYS 25 -13.124 -20.453 12.671 180 1HB LYS 25 2HB LYS 25 -14.065 -22.015 14.253 181 2HB LYS 25 1HB LYS 25 -13.704 -20.530 15.130 182 1HG LYS 25 2HG LYS 25 -15.998 -19.859 15.112 183 2HG LYS 25 1HG LYS 25 -16.427 -21.114 13.948 184 1HD LYS 25 2HD LYS 25 -15.634 -22.803 15.702 185 2HD LYS 25 1HD LYS 25 -15.617 -21.458 16.844 186 1HE LYS 25 2HE LYS 25 -18.079 -21.794 15.201 187 2HE LYS 25 1HE LYS 25 -17.797 -22.992 16.464 188 1HZ LYS 25 2HZ LYS 25 -17.319 -20.937 17.913 189 2HZ LYS 25 1HZ LYS 25 -18.178 -20.084 16.721 190 3HZ LYS 25 3HZ LYS 25 -18.933 -21.341 17.572 191 H ILE 26 H ILE 26 -13.849 -21.987 11.227 192 HA ILE 26 HA ILE 26 -16.615 -21.587 10.161 193 HB ILE 26 HB ILE 26 -14.331 -22.863 8.658 194 1HG1 ILE 26 2HG1 ILE 26 -15.083 -19.925 8.754 195 2HG1 ILE 26 1HG1 ILE 26 -13.585 -20.628 9.364 196 1HG2 ILE 26 3HG2 ILE 26 -17.052 -21.764 8.039 197 2HG2 ILE 26 2HG2 ILE 26 -15.809 -21.715 6.790 198 3HG2 ILE 26 1HG2 ILE 26 -16.301 -23.259 7.486 199 1HD1 ILE 26 1HD1 ILE 26 -14.148 -21.405 6.601 200 2HD1 ILE 26 3HD1 ILE 26 -13.985 -19.659 6.794 201 3HD1 ILE 26 2HD1 ILE 26 -12.675 -20.728 7.295 202 H SER 27 H SER 27 -17.959 -23.334 10.185 203 HA SER 27 HA SER 27 -16.823 -25.918 11.150 204 1HB SER 27 2HB SER 27 -18.922 -26.391 12.114 205 2HB SER 27 1HB SER 27 -18.736 -24.659 12.391 206 HG SER 27 HG SER 27 -20.715 -24.866 11.513 207 H ALA 28 H ALA 28 -18.057 -27.885 10.213 208 HA ALA 28 HA ALA 28 -17.718 -28.041 7.440 209 1HB ALA 28 2HB ALA 28 -19.747 -29.568 9.101 210 2HB ALA 28 3HB ALA 28 -18.054 -30.022 8.898 211 3HB ALA 28 1HB ALA 28 -19.146 -30.047 7.514 212 H ALA 29 H ALA 29 -20.705 -27.319 9.238 213 HA ALA 29 HA ALA 29 -22.421 -27.039 7.011 214 1HB ALA 29 3HB ALA 29 -23.405 -27.024 9.190 215 2HB ALA 29 2HB ALA 29 -22.400 -25.670 9.707 216 3HB ALA 29 1HB ALA 29 -23.685 -25.414 8.526 217 H GLU 30 H GLU 30 -20.204 -24.700 8.494 218 HA GLU 30 HA GLU 30 -21.025 -22.555 6.712 219 1HB GLU 30 2HB GLU 30 -18.576 -22.858 8.476 220 2HB GLU 30 1HB GLU 30 -19.020 -21.379 7.623 221 1HG GLU 30 2HG GLU 30 -21.192 -21.360 8.836 222 2HG GLU 30 1HG GLU 30 -20.689 -22.799 9.723 223 H LEU 31 H LEU 31 -18.053 -24.540 6.942 224 HA LEU 31 HA LEU 31 -16.909 -23.579 4.515 225 1HB LEU 31 2HB LEU 31 -15.783 -24.973 6.346 226 2HB LEU 31 1HB LEU 31 -16.557 -26.377 5.616 227 HG LEU 31 HG LEU 31 -14.903 -24.464 3.967 228 1HD1 LEU 31 3HD1 LEU 31 -13.640 -25.452 5.986 229 2HD1 LEU 31 2HD1 LEU 31 -13.840 -27.015 5.191 230 3HD1 LEU 31 1HD1 LEU 31 -12.937 -25.727 4.392 231 1HD2 LEU 31 3HD2 LEU 31 -16.437 -26.840 3.491 232 2HD2 LEU 31 2HD2 LEU 31 -15.530 -25.873 2.329 233 3HD2 LEU 31 1HD2 LEU 31 -14.738 -27.197 3.180 234 H GLY 32 H GLY 32 -18.983 -26.392 5.180 235 1HA GLY 32 1HA GLY 32 -20.284 -27.689 3.724 236 2HA GLY 32 2HA GLY 32 -19.047 -27.384 2.507 237 H GLU 33 H GLU 33 -21.142 -25.071 4.215 238 HA GLU 33 HA GLU 33 -23.032 -24.648 2.162 239 1HB GLU 33 2HB GLU 33 -22.057 -23.124 4.506 240 2HB GLU 33 1HB GLU 33 -22.845 -22.166 3.252 241 1HG GLU 33 2HG GLU 33 -24.740 -23.864 3.314 242 2HG GLU 33 1HG GLU 33 -23.987 -24.528 4.764 243 H ALA 34 H ALA 34 -19.893 -23.047 2.692 244 HA ALA 34 HA ALA 34 -20.168 -21.326 0.383 245 1HB ALA 34 1HB ALA 34 -18.565 -20.534 1.889 246 2HB ALA 34 2HB ALA 34 -17.548 -21.306 0.672 247 3HB ALA 34 3HB ALA 34 -17.904 -22.142 2.184 248 H LEU 35 H LEU 35 -18.742 -24.498 0.985 249 HA LEU 35 HA LEU 35 -17.451 -24.862 -1.511 250 1HB LEU 35 2HB LEU 35 -18.489 -26.637 0.632 251 2HB LEU 35 1HB LEU 35 -18.225 -27.385 -0.944 252 HG LEU 35 HG LEU 35 -16.170 -25.752 0.579 253 1HD1 LEU 35 1HD1 LEU 35 -16.513 -28.733 0.162 254 2HD1 LEU 35 3HD1 LEU 35 -15.022 -27.997 0.752 255 3HD1 LEU 35 2HD1 LEU 35 -16.505 -27.866 1.698 256 1HD2 LEU 35 1HD2 LEU 35 -16.232 -27.092 -2.111 257 2HD2 LEU 35 3HD2 LEU 35 -15.593 -25.509 -1.672 258 3HD2 LEU 35 2HD2 LEU 35 -14.707 -26.970 -1.233 259 H LYS 36 H LYS 36 -20.852 -25.288 -0.589 260 HA LYS 36 HA LYS 36 -21.876 -26.747 -2.699 261 1HB LYS 36 2HB LYS 36 -22.882 -24.639 -0.945 262 2HB LYS 36 1HB LYS 36 -23.664 -24.619 -2.526 263 1HG LYS 36 2HG LYS 36 -24.352 -26.904 -2.313 264 2HG LYS 36 1HG LYS 36 -23.324 -27.150 -0.902 265 1HD LYS 36 2HD LYS 36 -25.019 -24.933 -0.336 266 2HD LYS 36 1HD LYS 36 -26.037 -26.216 -0.989 267 1HE LYS 36 2HE LYS 36 -24.011 -26.631 1.228 268 2HE LYS 36 1HE LYS 36 -25.726 -26.337 1.507 269 1HZ LYS 36 2HZ LYS 36 -25.722 -28.315 -0.344 270 2HZ LYS 36 1HZ LYS 36 -24.401 -28.729 0.642 271 3HZ LYS 36 3HZ LYS 36 -25.940 -28.531 1.327 272 H THR 37 H THR 37 -20.484 -23.544 -2.835 273 HA THR 37 HA THR 37 -21.514 -22.592 -5.271 274 HB THR 37 HB THR 37 -19.900 -21.427 -3.660 275 HG1 THR 37 HG1 THR 37 -19.276 -20.117 -5.271 276 1HG2 THR 37 2HG2 THR 37 -18.261 -23.411 -3.837 277 2HG2 THR 37 1HG2 THR 37 -17.769 -22.699 -5.373 278 3HG2 THR 37 3HG2 THR 37 -17.576 -21.787 -3.876 279 H LEU 38 H LEU 38 -19.250 -25.172 -4.655 280 HA LEU 38 HA LEU 38 -18.088 -25.347 -7.267 281 1HB LEU 38 2HB LEU 38 -18.603 -27.506 -5.200 282 2HB LEU 38 1HB LEU 38 -17.599 -27.715 -6.634 283 HG LEU 38 HG LEU 38 -17.130 -25.846 -4.299 284 1HD1 LEU 38 1HD1 LEU 38 -15.778 -28.259 -5.480 285 2HD1 LEU 38 3HD1 LEU 38 -14.831 -27.080 -4.571 286 3HD1 LEU 38 2HD1 LEU 38 -16.172 -27.922 -3.794 287 1HD2 LEU 38 3HD2 LEU 38 -15.819 -25.917 -7.031 288 2HD2 LEU 38 2HD2 LEU 38 -16.654 -24.555 -6.282 289 3HD2 LEU 38 1HD2 LEU 38 -15.111 -25.108 -5.632 290 H GLY 39 H GLY 39 -21.101 -26.553 -5.904 291 1HA GLY 39 1HA GLY 39 -22.303 -26.828 -8.509 292 2HA GLY 39 2HA GLY 39 -23.013 -27.377 -6.992 293 H SER 40 H SER 40 -20.105 -28.791 -6.893 294 HA SER 40 HA SER 40 -21.177 -31.346 -7.882 295 1HB SER 40 2HB SER 40 -20.206 -30.599 -9.932 296 2HB SER 40 1HB SER 40 -18.775 -29.979 -9.109 297 HG SER 40 HG SER 40 -19.490 -32.603 -9.738 298 H ILE 41 H ILE 41 -20.691 -30.747 -5.274 299 HA ILE 41 HA ILE 41 -18.273 -32.393 -4.708 300 HB ILE 41 HB ILE 41 -17.943 -29.842 -4.348 301 1HG1 ILE 41 2HG1 ILE 41 -16.922 -30.406 -1.982 302 2HG1 ILE 41 1HG1 ILE 41 -17.383 -32.055 -2.403 303 1HG2 ILE 41 3HG2 ILE 41 -20.295 -29.947 -3.049 304 2HG2 ILE 41 2HG2 ILE 41 -19.219 -30.263 -1.687 305 3HG2 ILE 41 1HG2 ILE 41 -19.041 -28.779 -2.625 306 1HD1 ILE 41 1HD1 ILE 41 -16.207 -31.220 -4.728 307 2HD1 ILE 41 3HD1 ILE 41 -15.254 -30.347 -3.530 308 3HD1 ILE 41 2HD1 ILE 41 -15.365 -32.105 -3.457 309 H THR 42 H THR 42 -18.441 -33.587 -2.690 310 HA THR 42 HA THR 42 -21.276 -33.964 -1.850 311 HB THR 42 HB THR 42 -20.829 -36.185 -1.743 312 HG1 THR 42 HG1 THR 42 -19.372 -36.946 -0.348 313 1HG2 THR 42 1HG2 THR 42 -19.508 -35.570 -3.782 314 2HG2 THR 42 3HG2 THR 42 -18.070 -35.465 -2.765 315 3HG2 THR 42 2HG2 THR 42 -18.898 -37.010 -2.966 316 HA PRO 43 HA PRO 43 -20.463 -32.445 2.227 317 1HB PRO 43 2HB PRO 43 -21.650 -34.271 3.832 318 2HB PRO 43 1HB PRO 43 -22.566 -33.119 2.859 319 1HG PRO 43 2HG PRO 43 -21.944 -35.996 2.306 320 2HG PRO 43 1HG PRO 43 -23.465 -35.126 2.083 321 1HD PRO 43 1HD PRO 43 -21.796 -35.647 0.020 322 2HD PRO 43 2HD PRO 43 -22.782 -34.185 0.081 323 H ASP 44 H ASP 44 -19.751 -35.852 1.630 324 HA ASP 44 HA ASP 44 -18.092 -36.305 3.900 325 1HB ASP 44 2HB ASP 44 -17.971 -37.556 1.140 326 2HB ASP 44 1HB ASP 44 -17.162 -38.187 2.574 327 H GLU 45 H GLU 45 -17.446 -34.673 0.843 328 HA GLU 45 HA GLU 45 -14.548 -34.732 1.245 329 1HB GLU 45 2HB GLU 45 -16.241 -33.053 -0.636 330 2HB GLU 45 1HB GLU 45 -14.488 -33.234 -0.708 331 1HG GLU 45 2HG GLU 45 -16.415 -35.565 -0.901 332 2HG GLU 45 1HG GLU 45 -15.764 -34.725 -2.309 333 H VAL 46 H VAL 46 -17.242 -32.526 1.776 334 HA VAL 46 HA VAL 46 -15.679 -30.245 2.532 335 HB VAL 46 HB VAL 46 -18.480 -31.095 3.320 336 1HG1 VAL 46 3HG1 VAL 46 -16.990 -29.284 4.710 337 2HG1 VAL 46 2HG1 VAL 46 -17.679 -28.245 3.464 338 3HG1 VAL 46 1HG1 VAL 46 -18.740 -29.170 4.526 339 1HG2 VAL 46 3HG2 VAL 46 -17.415 -30.196 0.900 340 2HG2 VAL 46 2HG2 VAL 46 -19.121 -30.206 1.347 341 3HG2 VAL 46 1HG2 VAL 46 -18.149 -28.759 1.612 342 H LYS 47 H LYS 47 -16.945 -33.014 4.314 343 HA LYS 47 HA LYS 47 -16.047 -32.062 6.908 344 1HB LYS 47 2HB LYS 47 -16.868 -34.791 5.875 345 2HB LYS 47 1HB LYS 47 -16.373 -34.514 7.545 346 1HG LYS 47 2HG LYS 47 -18.156 -32.787 7.755 347 2HG LYS 47 1HG LYS 47 -18.675 -33.153 6.109 348 1HD LYS 47 2HD LYS 47 -20.105 -34.442 7.511 349 2HD LYS 47 1HD LYS 47 -18.913 -35.587 6.897 350 1HE LYS 47 2HE LYS 47 -18.256 -36.059 8.998 351 2HE LYS 47 1HE LYS 47 -17.873 -34.361 9.276 352 1HZ LYS 47 3HZ LYS 47 -20.530 -34.311 9.428 353 2HZ LYS 47 2HZ LYS 47 -20.232 -35.876 10.019 354 3HZ LYS 47 1HZ LYS 47 -19.521 -34.530 10.772 355 H HIS 48 H HIS 48 -14.726 -34.104 4.355 356 HA HIS 48 HA HIS 48 -12.392 -34.959 5.812 357 1HB HIS 48 2HB HIS 48 -13.128 -36.127 3.783 358 2HB HIS 48 1HB HIS 48 -12.853 -34.671 2.826 359 HD1 HIS 48 HD1 HIS 48 -11.270 -37.727 3.357 360 HD2 HIS 48 HD2 HIS 48 -9.884 -33.800 3.546 361 HE1 HIS 48 HE1 HIS 48 -8.752 -37.843 3.103 362 H MET 49 H MET 49 -13.120 -32.158 3.751 363 HA MET 49 HA MET 49 -10.469 -31.139 3.553 364 1HB MET 49 2HB MET 49 -13.217 -29.935 3.418 365 2HB MET 49 1HB MET 49 -11.812 -28.874 3.477 366 1HG MET 49 2HG MET 49 -10.920 -30.508 1.584 367 2HG MET 49 1HG MET 49 -12.641 -30.808 1.348 368 1HE MET 49 3HE MET 49 -13.094 -30.262 -0.493 369 2HE MET 49 2HE MET 49 -13.861 -28.698 -0.755 370 3HE MET 49 1HE MET 49 -12.309 -29.046 -1.511 371 H MET 50 H MET 50 -13.049 -30.500 5.912 372 HA MET 50 HA MET 50 -11.549 -28.733 7.568 373 1HB MET 50 2HB MET 50 -13.868 -30.591 8.126 374 2HB MET 50 1HB MET 50 -13.201 -29.515 9.350 375 1HG MET 50 2HG MET 50 -13.501 -27.664 7.530 376 2HG MET 50 1HG MET 50 -14.615 -28.814 6.789 377 1HE MET 50 2HE MET 50 -13.384 -27.127 9.744 378 2HE MET 50 1HE MET 50 -14.776 -26.503 10.625 379 3HE MET 50 3HE MET 50 -14.189 -28.142 10.937 380 H ALA 51 H ALA 51 -12.079 -32.244 7.778 381 HA ALA 51 HA ALA 51 -10.511 -32.735 10.081 382 1HB ALA 51 1HB ALA 51 -11.912 -34.481 9.115 383 2HB ALA 51 2HB ALA 51 -10.241 -35.044 9.142 384 3HB ALA 51 3HB ALA 51 -10.955 -34.474 7.634 385 H GLU 52 H GLU 52 -9.574 -31.807 6.893 386 HA GLU 52 HA GLU 52 -6.756 -32.623 7.399 387 1HB GLU 52 2HB GLU 52 -8.302 -31.824 4.948 388 2HB GLU 52 1HB GLU 52 -6.545 -31.673 4.961 389 1HG GLU 52 2HG GLU 52 -6.552 -34.117 5.832 390 2HG GLU 52 1HG GLU 52 -8.220 -34.163 5.264 391 H ILE 53 H ILE 53 -8.796 -29.800 6.832 392 HA ILE 53 HA ILE 53 -6.548 -27.937 6.952 393 HB ILE 53 HB ILE 53 -9.538 -27.472 7.091 394 1HG1 ILE 53 2HG1 ILE 53 -7.598 -27.191 4.779 395 2HG1 ILE 53 1HG1 ILE 53 -8.711 -28.540 4.992 396 1HG2 ILE 53 1HG2 ILE 53 -7.194 -25.592 6.705 397 2HG2 ILE 53 3HG2 ILE 53 -8.876 -25.142 6.421 398 3HG2 ILE 53 2HG2 ILE 53 -8.345 -25.592 8.041 399 1HD1 ILE 53 3HD1 ILE 53 -10.595 -26.857 5.053 400 2HD1 ILE 53 2HD1 ILE 53 -9.423 -25.626 4.581 401 3HD1 ILE 53 1HD1 ILE 53 -9.770 -26.974 3.499 402 H ASP 54 H ASP 54 -9.004 -29.186 9.151 403 HA ASP 54 HA ASP 54 -8.685 -27.364 11.295 404 1HB ASP 54 2HB ASP 54 -10.342 -29.370 10.893 405 2HB ASP 54 1HB ASP 54 -9.117 -30.302 11.743 406 H THR 55 H THR 55 -6.575 -26.848 11.850 407 HA THR 55 HA THR 55 -4.422 -28.758 11.923 408 HB THR 55 HB THR 55 -3.157 -26.951 13.028 409 HG1 THR 55 HG1 THR 55 -4.199 -25.504 14.105 410 1HG2 THR 55 3HG2 THR 55 -4.931 -26.230 10.693 411 2HG2 THR 55 2HG2 THR 55 -3.654 -25.156 11.265 412 3HG2 THR 55 1HG2 THR 55 -3.250 -26.763 10.660 413 H ASP 56 H ASP 56 -6.337 -27.250 14.532 414 HA ASP 56 HA ASP 56 -5.026 -29.003 16.505 415 1HB ASP 56 2HB ASP 56 -6.104 -27.722 18.173 416 2HB ASP 56 1HB ASP 56 -5.744 -26.551 16.906 417 H GLY 57 H GLY 57 -8.167 -28.655 14.940 418 1HA GLY 57 1HA GLY 57 -8.792 -31.425 15.826 419 2HA GLY 57 2HA GLY 57 -9.533 -30.611 14.454 420 H ASP 58 H ASP 58 -9.989 -28.119 16.118 421 HA ASP 58 HA ASP 58 -11.796 -29.014 18.245 422 1HB ASP 58 2HB ASP 58 -12.261 -26.669 18.609 423 2HB ASP 58 1HB ASP 58 -10.529 -26.832 18.339 424 H GLY 59 H GLY 59 -12.025 -29.010 14.943 425 1HA GLY 59 1HA GLY 59 -14.992 -29.007 15.103 426 2HA GLY 59 2HA GLY 59 -14.038 -29.775 13.836 427 H PHE 60 H PHE 60 -12.746 -26.745 14.500 428 HA PHE 60 HA PHE 60 -14.202 -25.619 12.158 429 1HB PHE 60 2HB PHE 60 -13.409 -23.973 14.560 430 2HB PHE 60 1HB PHE 60 -14.434 -23.493 13.208 431 HD1 PHE 60 HD1 PHE 60 -16.685 -24.521 12.914 432 HD2 PHE 60 HD2 PHE 60 -14.279 -25.239 16.397 433 HE1 PHE 60 HE1 PHE 60 -18.678 -25.362 14.118 434 HE2 PHE 60 HE2 PHE 60 -16.274 -26.076 17.603 435 HZ PHE 60 HZ PHE 60 -18.477 -26.141 16.465 436 H ILE 61 H ILE 61 -13.048 -23.991 10.969 437 HA ILE 61 HA ILE 61 -10.100 -24.209 11.285 438 HB ILE 61 HB ILE 61 -11.621 -23.289 8.839 439 1HG1 ILE 61 2HG1 ILE 61 -12.320 -25.585 9.394 440 2HG1 ILE 61 1HG1 ILE 61 -11.293 -25.580 7.961 441 1HG2 ILE 61 1HG2 ILE 61 -8.802 -24.302 9.317 442 2HG2 ILE 61 3HG2 ILE 61 -9.479 -23.951 7.727 443 3HG2 ILE 61 2HG2 ILE 61 -9.268 -22.653 8.902 444 1HD1 ILE 61 1HD1 ILE 61 -9.334 -26.007 9.583 445 2HD1 ILE 61 3HD1 ILE 61 -10.570 -26.400 10.778 446 3HD1 ILE 61 2HD1 ILE 61 -10.443 -27.350 9.297 447 H SER 62 H SER 62 -9.036 -22.335 11.831 448 HA SER 62 HA SER 62 -10.640 -19.849 12.001 449 1HB SER 62 2HB SER 62 -7.868 -20.438 13.086 450 2HB SER 62 1HB SER 62 -8.856 -19.025 13.453 451 HG SER 62 HG SER 62 -9.166 -21.689 14.260 452 H PHE 63 H PHE 63 -9.399 -17.805 11.359 453 HA PHE 63 HA PHE 63 -8.680 -17.910 8.631 454 1HB PHE 63 2HB PHE 63 -9.260 -15.796 9.782 455 2HB PHE 63 1HB PHE 63 -7.749 -15.885 10.693 456 HD1 PHE 63 HD1 PHE 63 -8.725 -16.445 7.113 457 HD2 PHE 63 HD2 PHE 63 -6.131 -14.422 9.872 458 HE1 PHE 63 HE1 PHE 63 -7.519 -15.405 5.214 459 HE2 PHE 63 HE2 PHE 63 -4.922 -13.383 7.974 460 HZ PHE 63 HZ PHE 63 -5.621 -13.873 5.643 461 H GLN 64 H GLN 64 -6.652 -18.015 11.535 462 HA GLN 64 HA GLN 64 -4.129 -18.052 10.217 463 1HB GLN 64 2HB GLN 64 -4.543 -17.757 12.693 464 2HB GLN 64 1HB GLN 64 -4.854 -19.490 12.784 465 1HG GLN 64 2HG GLN 64 -2.531 -19.142 13.358 466 2HG GLN 64 1HG GLN 64 -2.574 -19.861 11.748 467 1HE2 GLN 64 1HE2 GLN 64 -1.152 -18.826 10.348 468 2HE2 GLN 64 2HE2 GLN 64 -0.770 -17.172 10.385 469 H GLU 65 H GLU 65 -6.235 -20.744 11.289 470 HA GLU 65 HA GLU 65 -4.574 -22.853 10.344 471 1HB GLU 65 2HB GLU 65 -7.525 -22.587 10.858 472 2HB GLU 65 1HB GLU 65 -6.878 -24.060 10.151 473 1HG GLU 65 2HG GLU 65 -5.354 -24.331 12.059 474 2HG GLU 65 1HG GLU 65 -5.953 -22.830 12.764 475 H PHE 66 H PHE 66 -7.261 -21.118 8.782 476 HA PHE 66 HA PHE 66 -7.196 -22.519 6.309 477 1HB PHE 66 2HB PHE 66 -8.985 -20.905 7.029 478 2HB PHE 66 1HB PHE 66 -7.856 -19.588 6.711 479 HD1 PHE 66 HD1 PHE 66 -9.899 -22.255 5.200 480 HD2 PHE 66 HD2 PHE 66 -7.187 -19.012 4.436 481 HE1 PHE 66 HE1 PHE 66 -10.504 -22.316 2.796 482 HE2 PHE 66 HE2 PHE 66 -7.793 -19.074 2.031 483 HZ PHE 66 HZ PHE 66 -9.451 -20.725 1.212 484 H THR 67 H THR 67 -5.408 -19.680 7.435 485 HA THR 67 HA THR 67 -4.071 -19.124 4.965 486 HB THR 67 HB THR 67 -3.323 -18.563 7.847 487 HG1 THR 67 HG1 THR 67 -4.817 -17.145 7.442 488 1HG2 THR 67 3HG2 THR 67 -1.996 -17.621 5.289 489 2HG2 THR 67 2HG2 THR 67 -1.660 -16.974 6.894 490 3HG2 THR 67 1HG2 THR 67 -1.273 -18.655 6.521 491 H ASP 68 H ASP 68 -3.105 -21.064 7.803 492 HA ASP 68 HA ASP 68 -0.557 -21.857 6.835 493 1HB ASP 68 2HB ASP 68 -2.519 -23.316 8.626 494 2HB ASP 68 1HB ASP 68 -0.858 -23.845 8.352 495 H PHE 69 H PHE 69 -3.774 -23.243 6.295 496 HA PHE 69 HA PHE 69 -2.713 -25.429 4.674 497 1HB PHE 69 2HB PHE 69 -4.692 -26.145 5.598 498 2HB PHE 69 1HB PHE 69 -5.372 -24.523 5.651 499 HD1 PHE 69 HD1 PHE 69 -6.102 -23.452 3.459 500 HD2 PHE 69 HD2 PHE 69 -5.278 -27.641 3.866 501 HE1 PHE 69 HE1 PHE 69 -7.392 -23.906 1.385 502 HE2 PHE 69 HE2 PHE 69 -6.561 -28.100 1.797 503 HZ PHE 69 HZ PHE 69 -7.622 -26.232 0.554 504 H GLY 70 H GLY 70 -4.183 -22.262 4.149 505 1HA GLY 70 1HA GLY 70 -4.308 -20.944 2.210 506 2HA GLY 70 2HA GLY 70 -4.559 -22.453 1.330 507 H ARG 71 H ARG 71 -1.713 -21.823 3.293 508 HA ARG 71 HA ARG 71 -0.029 -20.928 1.118 509 1HB ARG 71 2HB ARG 71 0.619 -22.124 3.827 510 2HB ARG 71 1HB ARG 71 1.840 -21.506 2.714 511 1HG ARG 71 2HG ARG 71 0.714 -19.296 2.733 512 2HG ARG 71 1HG ARG 71 -0.464 -19.919 3.887 513 1HD ARG 71 2HD ARG 71 2.531 -19.730 4.330 514 2HD ARG 71 1HD ARG 71 1.310 -18.691 5.064 515 HE ARG 71 HE ARG 71 0.861 -21.523 5.597 516 1HH1 ARG 71 1HH1 ARG 71 0.386 -19.029 7.365 517 2HH1 ARG 71 2HH1 ARG 71 1.523 -19.329 8.637 518 1HH2 ARG 71 1HH2 ARG 71 3.257 -21.760 6.873 519 2HH2 ARG 71 2HH2 ARG 71 3.148 -20.875 8.359 520 H ALA 72 H ALA 72 -0.812 -24.062 2.527 521 HA ALA 72 HA ALA 72 1.150 -25.478 0.875 522 1HB ALA 72 3HB ALA 72 -0.642 -27.374 1.810 523 2HB ALA 72 1HB ALA 72 -0.696 -26.129 3.058 524 3HB ALA 72 2HB ALA 72 0.841 -26.880 2.627 525 H ASN 73 H ASN 73 -1.769 -24.037 0.215 526 HA ASN 73 HA ASN 73 -2.083 -25.647 -2.234 527 1HB ASN 73 2HB ASN 73 -4.325 -25.208 -0.236 528 2HB ASN 73 1HB ASN 73 -4.538 -25.872 -1.854 529 1HD2 ASN 73 1HD2 ASN 73 -3.750 -26.669 1.403 530 2HD2 ASN 73 2HD2 ASN 73 -3.277 -28.275 1.131 531 H ARG 74 H ARG 74 -1.065 -23.101 -2.039 532 HA ARG 74 HA ARG 74 -2.901 -20.953 -2.164 533 1HB ARG 74 2HB ARG 74 -0.312 -21.323 -3.704 534 2HB ARG 74 1HB ARG 74 -1.164 -19.790 -3.507 535 1HG ARG 74 2HG ARG 74 -0.945 -20.051 -1.024 536 2HG ARG 74 1HG ARG 74 0.037 -21.490 -1.302 537 1HD ARG 74 2HD ARG 74 1.638 -20.121 -2.616 538 2HD ARG 74 1HD ARG 74 0.670 -18.686 -2.274 539 HE ARG 74 HE ARG 74 1.270 -19.828 0.223 540 1HH1 ARG 74 1HH1 ARG 74 3.420 -19.562 -2.353 541 2HH1 ARG 74 2HH1 ARG 74 4.560 -18.557 -1.523 542 1HH2 ARG 74 1HH2 ARG 74 2.528 -18.084 1.247 543 2HH2 ARG 74 2HH2 ARG 74 4.054 -17.720 0.515 544 H GLY 75 H GLY 75 -1.633 -23.012 -4.767 545 1HA GLY 75 1HA GLY 75 -2.578 -23.576 -6.831 546 2HA GLY 75 2HA GLY 75 -3.047 -21.877 -6.923 547 H LEU 76 H LEU 76 -4.168 -23.833 -4.266 548 HA LEU 76 HA LEU 76 -6.693 -24.554 -5.552 549 1HB LEU 76 2HB LEU 76 -5.735 -24.705 -2.683 550 2HB LEU 76 1HB LEU 76 -7.308 -25.293 -3.222 551 HG LEU 76 HG LEU 76 -6.097 -26.735 -4.901 552 1HD1 LEU 76 2HD1 LEU 76 -3.774 -25.476 -3.491 553 2HD1 LEU 76 1HD1 LEU 76 -3.622 -27.141 -4.052 554 3HD1 LEU 76 3HD1 LEU 76 -3.973 -25.851 -5.202 555 1HD2 LEU 76 1HD2 LEU 76 -6.164 -27.025 -1.983 556 2HD2 LEU 76 3HD2 LEU 76 -6.620 -28.180 -3.236 557 3HD2 LEU 76 2HD2 LEU 76 -4.933 -28.030 -2.748 558 H LEU 77 H LEU 77 -5.648 -22.231 -3.078 559 HA LEU 77 HA LEU 77 -8.223 -21.100 -2.587 560 1HB LEU 77 2HB LEU 77 -5.459 -19.881 -2.355 561 2HB LEU 77 1HB LEU 77 -6.928 -19.122 -1.742 562 HG LEU 77 HG LEU 77 -5.689 -21.740 -0.862 563 1HD1 LEU 77 1HD1 LEU 77 -6.337 -19.102 0.472 564 2HD1 LEU 77 3HD1 LEU 77 -5.941 -20.558 1.385 565 3HD1 LEU 77 2HD1 LEU 77 -4.754 -19.857 0.285 566 1HD2 LEU 77 1HD2 LEU 77 -8.455 -20.614 -0.368 567 2HD2 LEU 77 3HD2 LEU 77 -8.033 -22.204 -1.004 568 3HD2 LEU 77 2HD2 LEU 77 -7.718 -21.820 0.688 569 H LYS 78 H LYS 78 -5.753 -20.365 -5.015 570 HA LYS 78 HA LYS 78 -7.002 -17.973 -6.003 571 1HB LYS 78 2HB LYS 78 -5.131 -19.952 -7.335 572 2HB LYS 78 1HB LYS 78 -5.604 -18.409 -8.046 573 1HG LYS 78 2HG LYS 78 -4.768 -17.327 -5.879 574 2HG LYS 78 1HG LYS 78 -4.031 -18.885 -5.506 575 1HD LYS 78 2HD LYS 78 -3.521 -17.280 -8.030 576 2HD LYS 78 1HD LYS 78 -2.436 -17.354 -6.643 577 1HE LYS 78 2HE LYS 78 -2.135 -19.749 -6.945 578 2HE LYS 78 1HE LYS 78 -3.337 -19.772 -8.235 579 1HZ LYS 78 1HZ LYS 78 -1.136 -17.900 -8.555 580 2HZ LYS 78 3HZ LYS 78 -0.737 -19.543 -8.682 581 3HZ LYS 78 2HZ LYS 78 -1.914 -18.874 -9.710 582 H ASP 79 H ASP 79 -7.704 -21.341 -6.408 583 HA ASP 79 HA ASP 79 -9.225 -20.968 -8.886 584 1HB ASP 79 2HB ASP 79 -8.084 -23.127 -8.285 585 2HB ASP 79 1HB ASP 79 -9.253 -23.325 -6.980 586 H VAL 80 H VAL 80 -9.888 -21.175 -5.428 587 HA VAL 80 HA VAL 80 -12.783 -21.233 -5.786 588 HB VAL 80 HB VAL 80 -11.199 -20.523 -3.303 589 1HG1 VAL 80 1HG1 VAL 80 -13.849 -20.219 -3.707 590 2HG1 VAL 80 3HG1 VAL 80 -13.825 -21.920 -3.241 591 3HG1 VAL 80 2HG1 VAL 80 -13.176 -20.698 -2.149 592 1HG2 VAL 80 3HG2 VAL 80 -12.008 -23.176 -4.500 593 2HG2 VAL 80 2HG2 VAL 80 -10.415 -22.672 -3.939 594 3HG2 VAL 80 1HG2 VAL 80 -11.698 -22.997 -2.773 595 H ALA 81 H ALA 81 -10.324 -18.775 -5.238 596 HA ALA 81 HA ALA 81 -11.889 -16.597 -4.446 597 1HB ALA 81 1HB ALA 81 -9.686 -15.973 -4.516 598 2HB ALA 81 2HB ALA 81 -10.159 -15.349 -6.096 599 3HB ALA 81 3HB ALA 81 -9.360 -16.915 -5.971 600 H LYS 82 H LYS 82 -11.280 -17.715 -7.777 601 HA LYS 82 HA LYS 82 -12.832 -15.680 -9.050 602 1HB LYS 82 2HB LYS 82 -12.280 -18.517 -9.972 603 2HB LYS 82 1HB LYS 82 -12.848 -17.197 -10.995 604 1HG LYS 82 2HG LYS 82 -10.789 -15.912 -10.416 605 2HG LYS 82 1HG LYS 82 -10.213 -17.302 -9.495 606 1HD LYS 82 2HD LYS 82 -10.302 -18.688 -11.542 607 2HD LYS 82 1HD LYS 82 -10.862 -17.290 -12.459 608 1HE LYS 82 2HE LYS 82 -8.562 -16.420 -11.083 609 2HE LYS 82 1HE LYS 82 -8.159 -18.015 -11.717 610 1HZ LYS 82 1HZ LYS 82 -9.123 -17.203 -13.881 611 2HZ LYS 82 3HZ LYS 82 -9.106 -15.643 -13.214 612 3HZ LYS 82 2HZ LYS 82 -7.651 -16.497 -13.412 613 H ILE 83 H ILE 83 -13.716 -18.597 -7.381 614 HA ILE 83 HA ILE 83 -16.317 -18.960 -8.536 615 HB ILE 83 HB ILE 83 -15.432 -19.649 -5.725 616 1HG1 ILE 83 2HG1 ILE 83 -15.004 -21.054 -8.370 617 2HG1 ILE 83 1HG1 ILE 83 -13.785 -20.572 -7.194 618 1HG2 ILE 83 3HG2 ILE 83 -17.872 -19.987 -7.163 619 2HG2 ILE 83 2HG2 ILE 83 -17.130 -21.578 -6.990 620 3HG2 ILE 83 1HG2 ILE 83 -17.463 -20.600 -5.560 621 1HD1 ILE 83 1HD1 ILE 83 -15.302 -22.136 -5.610 622 2HD1 ILE 83 3HD1 ILE 83 -15.629 -22.909 -7.161 623 3HD1 ILE 83 2HD1 ILE 83 -13.972 -22.777 -6.574 624 H PHE 84 H PHE 84 -15.240 -17.265 -5.599 625 HA PHE 84 HA PHE 84 -17.951 -16.145 -5.237 626 1HB PHE 84 2HB PHE 84 -15.406 -15.791 -3.623 627 2HB PHE 84 1HB PHE 84 -16.983 -15.137 -3.179 628 HD1 PHE 84 HD1 PHE 84 -15.014 -18.235 -3.641 629 HD2 PHE 84 HD2 PHE 84 -18.749 -16.562 -2.336 630 HE1 PHE 84 HE1 PHE 84 -15.618 -20.400 -2.594 631 HE2 PHE 84 HE2 PHE 84 -19.354 -18.728 -1.289 632 HZ PHE 84 HZ PHE 84 -17.788 -20.647 -1.419 No H/Q in entry = 632 Start of MODEL 17 1 H1 ALA 1 1H ALA 1 10.466 -16.490 1.786 2 H2 ALA 1 3H ALA 1 11.381 -15.524 2.836 3 H3 ALA 1 2H ALA 1 10.717 -16.986 3.391 4 HA ALA 1 HA ALA 1 8.485 -16.119 3.124 5 1HB ALA 1 1HB ALA 1 10.096 -14.062 4.635 6 2HB ALA 1 3HB ALA 1 8.512 -14.726 5.034 7 3HB ALA 1 2HB ALA 1 9.956 -15.721 5.219 8 H ASP 2 H ASP 2 9.016 -15.416 0.651 9 HA ASP 2 HA ASP 2 9.242 -12.489 0.387 10 1HB ASP 2 2HB ASP 2 9.173 -12.919 -2.022 11 2HB ASP 2 1HB ASP 2 10.327 -14.014 -1.262 12 H ASP 3 H ASP 3 6.848 -14.160 1.555 13 HA ASP 3 HA ASP 3 4.623 -13.619 -0.199 14 1HB ASP 3 2HB ASP 3 4.801 -14.194 2.768 15 2HB ASP 3 1HB ASP 3 3.268 -13.976 1.925 16 H HIS 4 H HIS 4 3.125 -11.899 -0.113 17 HA HIS 4 HA HIS 4 4.102 -9.474 1.340 18 1HB HIS 4 2HB HIS 4 3.561 -9.832 -1.355 19 2HB HIS 4 1HB HIS 4 2.075 -9.097 -0.755 20 HD1 HIS 4 HD1 HIS 4 2.116 -6.619 -0.612 21 HD2 HIS 4 HD2 HIS 4 5.960 -8.222 -0.419 22 HE1 HIS 4 HE1 HIS 4 3.706 -4.653 -0.539 23 HA PRO 5 HA PRO 5 0.404 -9.508 3.825 24 1HB PRO 5 2HB PRO 5 -0.135 -6.855 4.002 25 2HB PRO 5 1HB PRO 5 1.162 -7.637 4.912 26 1HG PRO 5 2HG PRO 5 1.308 -6.108 2.331 27 2HG PRO 5 1HG PRO 5 2.349 -5.977 3.754 28 1HD PRO 5 1HD PRO 5 3.139 -7.376 1.621 29 2HD PRO 5 2HD PRO 5 3.497 -7.949 3.250 30 H GLN 6 H GLN 6 0.533 -8.026 0.711 31 HA GLN 6 HA GLN 6 -2.185 -7.291 0.332 32 1HB GLN 6 2HB GLN 6 0.107 -8.045 -1.435 33 2HB GLN 6 1HB GLN 6 -1.509 -8.031 -2.148 34 1HG GLN 6 2HG GLN 6 -1.844 -5.722 -1.508 35 2HG GLN 6 1HG GLN 6 -0.348 -5.716 -0.574 36 1HE2 GLN 6 1HE2 GLN 6 1.452 -6.944 -2.327 37 2HE2 GLN 6 2HE2 GLN 6 1.602 -6.021 -3.744 38 H ASP 7 H ASP 7 -0.507 -10.385 -0.038 39 HA ASP 7 HA ASP 7 -2.641 -11.854 -1.211 40 1HB ASP 7 2HB ASP 7 -0.410 -12.746 0.635 41 2HB ASP 7 1HB ASP 7 -1.489 -13.855 -0.210 42 H LYS 8 H LYS 8 -1.830 -11.239 2.190 43 HA LYS 8 HA LYS 8 -3.741 -12.886 3.427 44 1HB LYS 8 2HB LYS 8 -2.479 -10.266 4.152 45 2HB LYS 8 1HB LYS 8 -3.816 -10.864 5.135 46 1HG LYS 8 2HG LYS 8 -2.465 -13.118 5.092 47 2HG LYS 8 1HG LYS 8 -1.102 -12.073 4.693 48 1HD LYS 8 2HD LYS 8 -1.686 -10.673 6.708 49 2HD LYS 8 1HD LYS 8 -2.880 -11.897 7.142 50 1HE LYS 8 2HE LYS 8 -1.290 -13.265 7.980 51 2HE LYS 8 1HE LYS 8 -0.293 -13.092 6.536 52 1HZ LYS 8 1HZ LYS 8 -0.462 -11.050 8.681 53 2HZ LYS 8 3HZ LYS 8 0.747 -12.237 8.603 54 3HZ LYS 8 2HZ LYS 8 0.617 -11.075 7.370 55 H ALA 9 H ALA 9 -4.144 -9.710 1.935 56 HA ALA 9 HA ALA 9 -6.806 -9.193 2.777 57 1HB ALA 9 1HB ALA 9 -5.495 -8.490 0.132 58 2HB ALA 9 3HB ALA 9 -6.969 -7.759 0.766 59 3HB ALA 9 2HB ALA 9 -5.435 -7.512 1.598 60 H GLU 10 H GLU 10 -5.572 -10.957 -0.044 61 HA GLU 10 HA GLU 10 -8.165 -11.645 -1.085 62 1HB GLU 10 2HB GLU 10 -5.583 -13.199 -1.413 63 2HB GLU 10 1HB GLU 10 -6.984 -13.234 -2.484 64 1HG GLU 10 2HG GLU 10 -6.641 -10.778 -2.899 65 2HG GLU 10 1HG GLU 10 -5.147 -10.877 -1.968 66 H ARG 11 H ARG 11 -5.866 -13.370 1.006 67 HA ARG 11 HA ARG 11 -7.461 -15.722 1.349 68 1HB ARG 11 2HB ARG 11 -5.324 -14.434 3.060 69 2HB ARG 11 1HB ARG 11 -6.070 -15.978 3.465 70 1HG ARG 11 2HG ARG 11 -5.438 -16.682 1.051 71 2HG ARG 11 1HG ARG 11 -4.365 -15.281 1.075 72 1HD ARG 11 2HD ARG 11 -3.721 -16.396 3.457 73 2HD ARG 11 1HD ARG 11 -4.169 -17.844 2.558 74 HE ARG 11 HE ARG 11 -2.065 -15.929 1.631 75 1HH1 ARG 11 1HH1 ARG 11 -1.262 -18.443 3.081 76 2HH1 ARG 11 2HH1 ARG 11 -0.947 -19.526 1.767 77 1HH2 ARG 11 1HH2 ARG 11 -2.614 -17.589 -0.577 78 2HH2 ARG 11 2HH2 ARG 11 -1.712 -19.043 -0.304 79 H GLU 12 H GLU 12 -7.285 -12.666 3.113 80 HA GLU 12 HA GLU 12 -9.069 -13.413 5.234 81 1HB GLU 12 2HB GLU 12 -7.974 -10.865 4.143 82 2HB GLU 12 1HB GLU 12 -9.439 -10.752 5.120 83 1HG GLU 12 2HG GLU 12 -8.206 -12.232 6.828 84 2HG GLU 12 1HG GLU 12 -6.743 -11.863 5.913 85 H ARG 13 H ARG 13 -9.573 -11.891 2.071 86 HA ARG 13 HA ARG 13 -12.401 -11.474 2.414 87 1HB ARG 13 2HB ARG 13 -10.608 -11.674 -0.011 88 2HB ARG 13 1HB ARG 13 -12.349 -11.443 -0.163 89 1HG ARG 13 2HG ARG 13 -12.284 -9.345 0.921 90 2HG ARG 13 1HG ARG 13 -10.692 -9.655 1.615 91 1HD ARG 13 2HD ARG 13 -9.899 -8.444 -0.134 92 2HD ARG 13 1HD ARG 13 -10.213 -9.891 -1.093 93 HE ARG 13 HE ARG 13 -12.541 -8.143 -0.824 94 1HH1 ARG 13 1HH1 ARG 13 -10.263 -6.541 -2.047 95 2HH1 ARG 13 2HH1 ARG 13 -10.515 -6.829 -3.736 96 1HH2 ARG 13 1HH2 ARG 13 -12.619 -9.539 -3.231 97 2HH2 ARG 13 2HH2 ARG 13 -11.849 -8.526 -4.407 98 H ILE 14 H ILE 14 -10.466 -14.116 1.063 99 HA ILE 14 HA ILE 14 -12.736 -15.694 0.223 100 HB ILE 14 HB ILE 14 -9.932 -16.610 0.933 101 1HG1 ILE 14 2HG1 ILE 14 -10.926 -16.055 -1.848 102 2HG1 ILE 14 1HG1 ILE 14 -10.310 -14.734 -0.860 103 1HG2 ILE 14 3HG2 ILE 14 -12.320 -17.981 0.072 104 2HG2 ILE 14 2HG2 ILE 14 -11.083 -18.100 -1.180 105 3HG2 ILE 14 1HG2 ILE 14 -10.738 -18.658 0.457 106 1HD1 ILE 14 1HD1 ILE 14 -8.436 -16.775 -0.513 107 2HD1 ILE 14 3HD1 ILE 14 -8.847 -16.855 -2.226 108 3HD1 ILE 14 2HD1 ILE 14 -8.243 -15.350 -1.533 109 H PHE 15 H PHE 15 -10.635 -15.737 3.108 110 HA PHE 15 HA PHE 15 -12.020 -17.901 4.394 111 1HB PHE 15 2HB PHE 15 -9.752 -17.154 5.078 112 2HB PHE 15 1HB PHE 15 -10.442 -15.641 5.670 113 HD1 PHE 15 HD1 PHE 15 -11.926 -15.625 7.646 114 HD2 PHE 15 HD2 PHE 15 -10.111 -19.255 6.240 115 HE1 PHE 15 HE1 PHE 15 -12.509 -16.746 9.783 116 HE2 PHE 15 HE2 PHE 15 -10.690 -20.375 8.375 117 HZ PHE 15 HZ PHE 15 -11.893 -19.124 10.146 118 H LYS 16 H LYS 16 -12.473 -14.401 4.371 119 HA LYS 16 HA LYS 16 -14.418 -14.293 6.474 120 1HB LYS 16 2HB LYS 16 -13.711 -12.516 4.154 121 2HB LYS 16 1HB LYS 16 -15.160 -12.178 5.103 122 1HG LYS 16 2HG LYS 16 -13.700 -12.281 7.174 123 2HG LYS 16 1HG LYS 16 -12.304 -12.334 6.099 124 1HD LYS 16 2HD LYS 16 -13.077 -10.201 5.055 125 2HD LYS 16 1HD LYS 16 -14.387 -10.133 6.236 126 1HE LYS 16 2HE LYS 16 -13.007 -9.346 7.841 127 2HE LYS 16 1HE LYS 16 -11.806 -10.596 7.511 128 1HZ LYS 16 1HZ LYS 16 -11.490 -9.075 5.373 129 2HZ LYS 16 3HZ LYS 16 -12.002 -7.886 6.469 130 3HZ LYS 16 2HZ LYS 16 -10.628 -8.823 6.815 131 H ARG 17 H ARG 17 -14.622 -15.079 3.055 132 HA ARG 17 HA ARG 17 -17.518 -14.954 2.925 133 1HB ARG 17 2HB ARG 17 -15.418 -16.241 1.165 134 2HB ARG 17 1HB ARG 17 -17.144 -16.339 0.813 135 1HG ARG 17 2HG ARG 17 -17.174 -13.785 1.008 136 2HG ARG 17 1HG ARG 17 -15.414 -13.863 0.966 137 1HD ARG 17 2HD ARG 17 -15.942 -15.429 -1.153 138 2HD ARG 17 1HD ARG 17 -17.390 -14.422 -1.195 139 HE ARG 17 HE ARG 17 -15.144 -12.710 -0.882 140 1HH1 ARG 17 1HH1 ARG 17 -17.424 -13.013 -3.063 141 2HH1 ARG 17 2HH1 ARG 17 -16.438 -13.022 -4.486 142 1HH2 ARG 17 1HH2 ARG 17 -13.478 -13.531 -2.753 143 2HH2 ARG 17 2HH2 ARG 17 -14.203 -13.313 -4.311 144 H PHE 18 H PHE 18 -15.136 -17.428 3.707 145 HA PHE 18 HA PHE 18 -17.010 -19.634 3.679 146 1HB PHE 18 2HB PHE 18 -14.252 -19.220 4.818 147 2HB PHE 18 1HB PHE 18 -15.165 -20.684 5.184 148 HD1 PHE 18 HD1 PHE 18 -16.181 -21.969 3.160 149 HD2 PHE 18 HD2 PHE 18 -13.028 -19.072 2.819 150 HE1 PHE 18 HE1 PHE 18 -15.547 -22.917 0.958 151 HE2 PHE 18 HE2 PHE 18 -12.395 -20.021 0.617 152 HZ PHE 18 HZ PHE 18 -13.654 -21.944 -0.314 153 H ASP 19 H ASP 19 -15.691 -17.556 6.250 154 HA ASP 19 HA ASP 19 -17.100 -18.821 8.400 155 1HB ASP 19 2HB ASP 19 -15.178 -17.039 8.456 156 2HB ASP 19 1HB ASP 19 -16.497 -15.868 8.384 157 H ALA 20 H ALA 20 -19.304 -19.116 8.118 158 HA ALA 20 HA ALA 20 -21.015 -17.319 6.717 159 1HB ALA 20 3HB ALA 20 -21.356 -19.813 7.436 160 2HB ALA 20 2HB ALA 20 -22.034 -19.107 8.903 161 3HB ALA 20 1HB ALA 20 -22.755 -18.744 7.335 162 H ASN 21 H ASN 21 -20.658 -17.775 10.282 163 HA ASN 21 HA ASN 21 -22.291 -15.349 10.664 164 1HB ASN 21 2HB ASN 21 -22.208 -15.850 13.032 165 2HB ASN 21 1HB ASN 21 -22.578 -17.332 12.157 166 1HD2 ASN 21 1HD2 ASN 21 -21.297 -17.002 14.824 167 2HD2 ASN 21 2HD2 ASN 21 -19.804 -17.796 14.720 168 H GLY 22 H GLY 22 -18.963 -16.252 10.558 169 1HA GLY 22 1HA GLY 22 -18.206 -13.432 10.818 170 2HA GLY 22 2HA GLY 22 -17.120 -14.758 10.415 171 H ASP 23 H ASP 23 -17.596 -16.438 12.634 172 HA ASP 23 HA ASP 23 -16.951 -14.726 14.978 173 1HB ASP 23 2HB ASP 23 -17.278 -16.753 16.335 174 2HB ASP 23 1HB ASP 23 -18.686 -16.438 15.327 175 H GLY 24 H GLY 24 -15.270 -15.965 12.525 176 1HA GLY 24 1HA GLY 24 -12.831 -16.215 14.185 177 2HA GLY 24 2HA GLY 24 -12.866 -15.945 12.445 178 H LYS 25 H LYS 25 -15.051 -18.391 13.360 179 HA LYS 25 HA LYS 25 -13.041 -20.444 12.547 180 1HB LYS 25 2HB LYS 25 -13.896 -21.988 14.162 181 2HB LYS 25 1HB LYS 25 -13.658 -20.470 15.026 182 1HG LYS 25 2HG LYS 25 -16.009 -19.946 14.880 183 2HG LYS 25 1HG LYS 25 -16.300 -21.312 13.804 184 1HD LYS 25 2HD LYS 25 -15.444 -22.812 15.679 185 2HD LYS 25 1HD LYS 25 -15.520 -21.395 16.727 186 1HE LYS 25 2HE LYS 25 -17.588 -22.875 16.766 187 2HE LYS 25 1HE LYS 25 -17.889 -21.176 16.402 188 1HZ LYS 25 1HZ LYS 25 -17.323 -22.858 14.112 189 2HZ LYS 25 3HZ LYS 25 -18.780 -23.199 14.911 190 3HZ LYS 25 2HZ LYS 25 -18.490 -21.637 14.306 191 H ILE 26 H ILE 26 -13.759 -21.977 11.105 192 HA ILE 26 HA ILE 26 -16.551 -21.630 10.092 193 HB ILE 26 HB ILE 26 -14.303 -22.852 8.502 194 1HG1 ILE 26 2HG1 ILE 26 -14.975 -19.910 8.807 195 2HG1 ILE 26 1HG1 ILE 26 -13.445 -20.690 9.211 196 1HG2 ILE 26 2HG2 ILE 26 -16.646 -23.068 7.713 197 2HG2 ILE 26 1HG2 ILE 26 -16.806 -21.312 7.746 198 3HG2 ILE 26 3HG2 ILE 26 -15.682 -22.074 6.622 199 1HD1 ILE 26 1HD1 ILE 26 -14.067 -21.382 6.520 200 2HD1 ILE 26 3HD1 ILE 26 -14.295 -19.641 6.680 201 3HD1 ILE 26 2HD1 ILE 26 -12.743 -20.370 7.097 202 H SER 27 H SER 27 -17.844 -23.413 10.089 203 HA SER 27 HA SER 27 -16.625 -25.975 11.014 204 1HB SER 27 2HB SER 27 -18.697 -26.509 12.025 205 2HB SER 27 1HB SER 27 -18.504 -24.785 12.350 206 HG SER 27 HG SER 27 -20.207 -26.093 10.562 207 H ALA 28 H ALA 28 -17.872 -27.955 10.110 208 HA ALA 28 HA ALA 28 -17.612 -28.083 7.325 209 1HB ALA 28 1HB ALA 28 -19.155 -29.685 9.332 210 2HB ALA 28 2HB ALA 28 -17.831 -30.189 8.281 211 3HB ALA 28 3HB ALA 28 -19.451 -29.974 7.617 212 H ALA 29 H ALA 29 -20.570 -27.464 9.215 213 HA ALA 29 HA ALA 29 -22.345 -27.177 7.042 214 1HB ALA 29 2HB ALA 29 -23.283 -27.231 9.233 215 2HB ALA 29 1HB ALA 29 -22.285 -25.880 9.770 216 3HB ALA 29 3HB ALA 29 -23.601 -25.605 8.628 217 H GLU 30 H GLU 30 -20.073 -24.849 8.443 218 HA GLU 30 HA GLU 30 -21.038 -22.679 6.746 219 1HB GLU 30 2HB GLU 30 -18.520 -22.934 8.417 220 2HB GLU 30 1HB GLU 30 -19.051 -21.455 7.617 221 1HG GLU 30 2HG GLU 30 -21.180 -21.559 8.910 222 2HG GLU 30 1HG GLU 30 -20.571 -22.981 9.756 223 H LEU 31 H LEU 31 -18.022 -24.601 6.851 224 HA LEU 31 HA LEU 31 -16.973 -23.573 4.402 225 1HB LEU 31 2HB LEU 31 -15.773 -24.974 6.198 226 2HB LEU 31 1HB LEU 31 -16.510 -26.379 5.433 227 HG LEU 31 HG LEU 31 -14.786 -24.343 3.988 228 1HD1 LEU 31 1HD1 LEU 31 -13.635 -25.815 5.743 229 2HD1 LEU 31 3HD1 LEU 31 -14.054 -27.187 4.717 230 3HD1 LEU 31 2HD1 LEU 31 -12.995 -25.917 4.104 231 1HD2 LEU 31 1HD2 LEU 31 -16.358 -26.742 3.190 232 2HD2 LEU 31 3HD2 LEU 31 -15.981 -25.287 2.267 233 3HD2 LEU 31 2HD2 LEU 31 -14.768 -26.555 2.449 234 H GLY 32 H GLY 32 -19.016 -26.389 5.111 235 1HA GLY 32 1HA GLY 32 -20.318 -27.722 3.683 236 2HA GLY 32 2HA GLY 32 -19.125 -27.384 2.431 237 H GLU 33 H GLU 33 -21.253 -25.166 4.230 238 HA GLU 33 HA GLU 33 -23.174 -24.742 2.204 239 1HB GLU 33 2HB GLU 33 -22.219 -23.246 4.580 240 2HB GLU 33 1HB GLU 33 -23.055 -22.287 3.358 241 1HG GLU 33 2HG GLU 33 -24.893 -24.041 3.400 242 2HG GLU 33 1HG GLU 33 -24.099 -24.726 4.818 243 H ALA 34 H ALA 34 -20.059 -23.113 2.756 244 HA ALA 34 HA ALA 34 -20.380 -21.344 0.479 245 1HB ALA 34 3HB ALA 34 -18.282 -20.525 1.041 246 2HB ALA 34 2HB ALA 34 -18.751 -21.231 2.588 247 3HB ALA 34 1HB ALA 34 -17.675 -22.114 1.507 248 H LEU 35 H LEU 35 -18.806 -24.447 1.087 249 HA LEU 35 HA LEU 35 -17.514 -24.751 -1.420 250 1HB LEU 35 2HB LEU 35 -18.197 -26.439 0.841 251 2HB LEU 35 1HB LEU 35 -18.389 -27.311 -0.681 252 HG LEU 35 HG LEU 35 -15.920 -25.723 0.080 253 1HD1 LEU 35 2HD1 LEU 35 -16.313 -27.753 1.506 254 2HD1 LEU 35 1HD1 LEU 35 -16.315 -28.728 0.037 255 3HD1 LEU 35 3HD1 LEU 35 -14.856 -27.862 0.517 256 1HD2 LEU 35 1HD2 LEU 35 -16.651 -26.198 -2.400 257 2HD2 LEU 35 3HD2 LEU 35 -14.979 -26.486 -1.920 258 3HD2 LEU 35 2HD2 LEU 35 -16.105 -27.838 -2.049 259 H LYS 36 H LYS 36 -20.881 -25.300 -0.466 260 HA LYS 36 HA LYS 36 -21.869 -26.834 -2.540 261 1HB LYS 36 2HB LYS 36 -22.937 -24.833 -0.749 262 2HB LYS 36 1HB LYS 36 -23.683 -24.677 -2.341 263 1HG LYS 36 2HG LYS 36 -24.326 -27.015 -2.332 264 2HG LYS 36 1HG LYS 36 -23.431 -27.298 -0.838 265 1HD LYS 36 2HD LYS 36 -25.154 -25.130 -0.300 266 2HD LYS 36 1HD LYS 36 -26.128 -26.309 -1.178 267 1HE LYS 36 2HE LYS 36 -24.353 -27.096 1.141 268 2HE LYS 36 1HE LYS 36 -26.029 -26.593 1.369 269 1HZ LYS 36 3HZ LYS 36 -26.241 -28.375 -0.628 270 2HZ LYS 36 2HZ LYS 36 -24.972 -29.047 0.279 271 3HZ LYS 36 1HZ LYS 36 -26.473 -28.740 1.013 272 H THR 37 H THR 37 -20.567 -23.598 -2.749 273 HA THR 37 HA THR 37 -21.645 -22.642 -5.136 274 HB THR 37 HB THR 37 -19.881 -21.542 -3.641 275 HG1 THR 37 HG1 THR 37 -19.764 -20.226 -5.252 276 1HG2 THR 37 3HG2 THR 37 -18.057 -23.209 -5.397 277 2HG2 THR 37 2HG2 THR 37 -17.534 -21.944 -4.285 278 3HG2 THR 37 1HG2 THR 37 -18.280 -23.415 -3.660 279 H LEU 38 H LEU 38 -19.543 -25.351 -4.620 280 HA LEU 38 HA LEU 38 -18.529 -25.604 -7.301 281 1HB LEU 38 2HB LEU 38 -18.943 -27.595 -5.061 282 2HB LEU 38 1HB LEU 38 -18.245 -28.054 -6.614 283 HG LEU 38 HG LEU 38 -17.166 -26.006 -4.657 284 1HD1 LEU 38 2HD1 LEU 38 -16.718 -28.803 -5.076 285 2HD1 LEU 38 1HD1 LEU 38 -15.262 -27.933 -5.557 286 3HD1 LEU 38 3HD1 LEU 38 -15.914 -27.730 -3.931 287 1HD2 LEU 38 3HD2 LEU 38 -16.454 -26.615 -7.527 288 2HD2 LEU 38 2HD2 LEU 38 -16.761 -25.045 -6.784 289 3HD2 LEU 38 1HD2 LEU 38 -15.274 -25.921 -6.414 290 H GLY 39 H GLY 39 -21.523 -26.565 -5.735 291 1HA GLY 39 1HA GLY 39 -22.904 -26.850 -8.234 292 2HA GLY 39 2HA GLY 39 -23.529 -27.353 -6.664 293 H SER 40 H SER 40 -20.725 -28.910 -6.675 294 HA SER 40 HA SER 40 -21.947 -31.415 -7.592 295 1HB SER 40 2HB SER 40 -21.067 -30.773 -9.703 296 2HB SER 40 1HB SER 40 -19.591 -30.135 -8.978 297 HG SER 40 HG SER 40 -18.792 -32.032 -9.295 298 H ILE 41 H ILE 41 -21.268 -30.761 -5.022 299 HA ILE 41 HA ILE 41 -18.942 -32.559 -4.562 300 HB ILE 41 HB ILE 41 -18.419 -30.007 -4.327 301 1HG1 ILE 41 2HG1 ILE 41 -17.813 -31.783 -1.953 302 2HG1 ILE 41 1HG1 ILE 41 -17.046 -31.997 -3.525 303 1HG2 ILE 41 2HG2 ILE 41 -20.602 -29.933 -2.771 304 2HG2 ILE 41 1HG2 ILE 41 -19.411 -30.331 -1.531 305 3HG2 ILE 41 3HG2 ILE 41 -19.227 -28.864 -2.495 306 1HD1 ILE 41 1HD1 ILE 41 -16.653 -29.347 -3.203 307 2HD1 ILE 41 3HD1 ILE 41 -16.678 -29.840 -1.510 308 3HD1 ILE 41 2HD1 ILE 41 -15.508 -30.554 -2.618 309 H THR 42 H THR 42 -18.923 -33.259 -2.174 310 HA THR 42 HA THR 42 -21.740 -33.503 -1.190 311 HB THR 42 HB THR 42 -21.552 -35.762 -1.106 312 HG1 THR 42 HG1 THR 42 -19.560 -36.703 -0.242 313 1HG2 THR 42 2HG2 THR 42 -20.463 -35.324 -3.303 314 2HG2 THR 42 1HG2 THR 42 -18.895 -35.335 -2.496 315 3HG2 THR 42 3HG2 THR 42 -19.872 -36.802 -2.543 316 HA PRO 43 HA PRO 43 -20.308 -32.141 2.774 317 1HB PRO 43 2HB PRO 43 -21.521 -33.834 4.501 318 2HB PRO 43 1HB PRO 43 -22.397 -32.573 3.629 319 1HG PRO 43 2HG PRO 43 -22.179 -35.498 3.023 320 2HG PRO 43 1HG PRO 43 -23.601 -34.452 2.958 321 1HD PRO 43 1HD PRO 43 -22.227 -35.152 0.735 322 2HD PRO 43 2HD PRO 43 -23.032 -33.590 0.889 323 H ASP 44 H ASP 44 -20.064 -35.602 2.114 324 HA ASP 44 HA ASP 44 -18.246 -36.282 4.195 325 1HB ASP 44 2HB ASP 44 -18.596 -37.464 1.427 326 2HB ASP 44 1HB ASP 44 -17.632 -38.202 2.706 327 H GLU 45 H GLU 45 -17.719 -34.701 1.083 328 HA GLU 45 HA GLU 45 -14.814 -35.044 1.241 329 1HB GLU 45 2HB GLU 45 -16.506 -33.244 -0.525 330 2HB GLU 45 1HB GLU 45 -14.782 -33.551 -0.729 331 1HG GLU 45 2HG GLU 45 -15.326 -36.004 -0.947 332 2HG GLU 45 1HG GLU 45 -17.034 -35.566 -0.954 333 H VAL 46 H VAL 46 -17.233 -32.585 1.937 334 HA VAL 46 HA VAL 46 -15.408 -30.454 2.537 335 HB VAL 46 HB VAL 46 -18.223 -31.034 3.491 336 1HG1 VAL 46 2HG1 VAL 46 -16.986 -29.602 5.107 337 2HG1 VAL 46 1HG1 VAL 46 -16.594 -28.493 3.794 338 3HG1 VAL 46 3HG1 VAL 46 -18.272 -28.716 4.286 339 1HG2 VAL 46 2HG2 VAL 46 -17.122 -30.077 1.051 340 2HG2 VAL 46 1HG2 VAL 46 -18.824 -30.162 1.504 341 3HG2 VAL 46 3HG2 VAL 46 -17.893 -28.702 1.843 342 H LYS 47 H LYS 47 -16.723 -33.124 4.406 343 HA LYS 47 HA LYS 47 -15.737 -32.213 6.967 344 1HB LYS 47 2HB LYS 47 -16.590 -34.917 5.918 345 2HB LYS 47 1HB LYS 47 -15.998 -34.699 7.564 346 1HG LYS 47 2HG LYS 47 -17.756 -33.001 7.962 347 2HG LYS 47 1HG LYS 47 -18.356 -33.248 6.322 348 1HD LYS 47 2HD LYS 47 -19.734 -34.595 7.747 349 2HD LYS 47 1HD LYS 47 -18.635 -35.707 6.930 350 1HE LYS 47 2HE LYS 47 -18.109 -36.454 9.004 351 2HE LYS 47 1HE LYS 47 -17.197 -34.954 9.175 352 1HZ LYS 47 3HZ LYS 47 -20.081 -35.189 9.822 353 2HZ LYS 47 2HZ LYS 47 -18.849 -35.401 10.971 354 3HZ LYS 47 1HZ LYS 47 -19.039 -33.903 10.193 355 H HIS 48 H HIS 48 -14.434 -34.269 4.403 356 HA HIS 48 HA HIS 48 -12.063 -35.049 5.847 357 1HB HIS 48 2HB HIS 48 -12.836 -36.278 3.855 358 2HB HIS 48 1HB HIS 48 -12.542 -34.853 2.858 359 HD1 HIS 48 HD1 HIS 48 -10.607 -35.779 1.468 360 HD2 HIS 48 HD2 HIS 48 -9.951 -36.107 5.573 361 HE1 HIS 48 HE1 HIS 48 -8.189 -36.476 1.755 362 H MET 49 H MET 49 -12.855 -32.353 3.670 363 HA MET 49 HA MET 49 -10.212 -31.299 3.459 364 1HB MET 49 2HB MET 49 -12.977 -30.179 3.155 365 2HB MET 49 1HB MET 49 -11.604 -29.075 3.190 366 1HG MET 49 2HG MET 49 -10.607 -30.826 1.451 367 2HG MET 49 1HG MET 49 -12.314 -31.159 1.165 368 1HE MET 49 3HE MET 49 -13.094 -30.516 -0.656 369 2HE MET 49 2HE MET 49 -13.013 -28.978 -1.513 370 3HE MET 49 1HE MET 49 -11.648 -30.089 -1.582 371 H MET 50 H MET 50 -12.865 -30.566 5.712 372 HA MET 50 HA MET 50 -11.438 -28.644 7.263 373 1HB MET 50 2HB MET 50 -13.838 -30.371 7.684 374 2HB MET 50 1HB MET 50 -13.102 -29.630 9.104 375 1HG MET 50 2HG MET 50 -13.159 -27.428 7.778 376 2HG MET 50 1HG MET 50 -14.246 -28.261 6.665 377 1HE MET 50 1HE MET 50 -13.417 -26.791 9.826 378 2HE MET 50 3HE MET 50 -14.893 -26.635 10.790 379 3HE MET 50 2HE MET 50 -13.976 -28.138 10.815 380 H ALA 51 H ALA 51 -11.836 -32.156 7.685 381 HA ALA 51 HA ALA 51 -10.284 -32.393 10.060 382 1HB ALA 51 3HB ALA 51 -11.316 -34.398 9.671 383 2HB ALA 51 1HB ALA 51 -9.808 -34.768 8.835 384 3HB ALA 51 2HB ALA 51 -11.214 -34.225 7.919 385 H GLU 52 H GLU 52 -9.372 -31.757 6.800 386 HA GLU 52 HA GLU 52 -6.551 -32.540 7.294 387 1HB GLU 52 2HB GLU 52 -8.127 -31.709 4.870 388 2HB GLU 52 1HB GLU 52 -6.368 -31.580 4.856 389 1HG GLU 52 2HG GLU 52 -6.418 -34.036 5.731 390 2HG GLU 52 1HG GLU 52 -8.077 -34.046 5.131 391 H ILE 53 H ILE 53 -8.587 -29.712 6.805 392 HA ILE 53 HA ILE 53 -6.330 -27.850 6.892 393 HB ILE 53 HB ILE 53 -9.321 -27.395 7.047 394 1HG1 ILE 53 2HG1 ILE 53 -7.390 -27.102 4.733 395 2HG1 ILE 53 1HG1 ILE 53 -8.505 -28.449 4.943 396 1HG2 ILE 53 1HG2 ILE 53 -7.731 -25.611 7.989 397 2HG2 ILE 53 3HG2 ILE 53 -7.181 -25.391 6.327 398 3HG2 ILE 53 2HG2 ILE 53 -8.867 -25.087 6.746 399 1HD1 ILE 53 1HD1 ILE 53 -9.561 -25.641 5.014 400 2HD1 ILE 53 3HD1 ILE 53 -9.215 -26.396 3.459 401 3HD1 ILE 53 2HD1 ILE 53 -10.386 -27.131 4.555 402 H ASP 54 H ASP 54 -8.713 -29.171 9.116 403 HA ASP 54 HA ASP 54 -8.450 -27.318 11.244 404 1HB ASP 54 2HB ASP 54 -10.026 -29.400 10.854 405 2HB ASP 54 1HB ASP 54 -8.767 -30.262 11.726 406 H THR 55 H THR 55 -6.348 -26.721 11.775 407 HA THR 55 HA THR 55 -4.156 -28.603 11.876 408 HB THR 55 HB THR 55 -2.905 -26.720 12.900 409 HG1 THR 55 HG1 THR 55 -3.978 -24.842 13.362 410 1HG2 THR 55 1HG2 THR 55 -3.172 -26.842 10.451 411 2HG2 THR 55 3HG2 THR 55 -4.673 -25.923 10.571 412 3HG2 THR 55 2HG2 THR 55 -3.138 -25.167 11.003 413 H ASP 56 H ASP 56 -6.071 -26.985 14.413 414 HA ASP 56 HA ASP 56 -4.710 -28.583 16.479 415 1HB ASP 56 2HB ASP 56 -6.567 -27.435 17.943 416 2HB ASP 56 1HB ASP 56 -5.217 -26.476 17.338 417 H GLY 57 H GLY 57 -7.737 -28.619 14.710 418 1HA GLY 57 1HA GLY 57 -8.258 -31.311 15.816 419 2HA GLY 57 2HA GLY 57 -9.054 -30.605 14.414 420 H ASP 58 H ASP 58 -9.608 -28.062 15.946 421 HA ASP 58 HA ASP 58 -11.363 -28.946 18.127 422 1HB ASP 58 2HB ASP 58 -11.742 -26.645 18.573 423 2HB ASP 58 1HB ASP 58 -10.055 -26.735 18.069 424 H GLY 59 H GLY 59 -11.641 -28.951 14.817 425 1HA GLY 59 1HA GLY 59 -14.603 -29.012 15.044 426 2HA GLY 59 2HA GLY 59 -13.663 -29.754 13.752 427 H PHE 60 H PHE 60 -12.469 -26.667 14.395 428 HA PHE 60 HA PHE 60 -14.013 -25.606 12.071 429 1HB PHE 60 2HB PHE 60 -13.225 -23.928 14.457 430 2HB PHE 60 1HB PHE 60 -14.269 -23.467 13.114 431 HD1 PHE 60 HD1 PHE 60 -16.456 -24.753 12.782 432 HD2 PHE 60 HD2 PHE 60 -14.112 -24.979 16.372 433 HE1 PHE 60 HE1 PHE 60 -18.425 -25.617 14.014 434 HE2 PHE 60 HE2 PHE 60 -16.080 -25.838 17.604 435 HZ PHE 60 HZ PHE 60 -18.239 -26.160 16.427 436 H ILE 61 H ILE 61 -12.915 -23.969 10.824 437 HA ILE 61 HA ILE 61 -9.962 -24.118 11.109 438 HB ILE 61 HB ILE 61 -11.553 -23.242 8.689 439 1HG1 ILE 61 2HG1 ILE 61 -12.133 -25.563 9.238 440 2HG1 ILE 61 1HG1 ILE 61 -11.109 -25.518 7.803 441 1HG2 ILE 61 3HG2 ILE 61 -9.104 -22.585 8.969 442 2HG2 ILE 61 2HG2 ILE 61 -8.725 -24.305 8.882 443 3HG2 ILE 61 1HG2 ILE 61 -9.483 -23.498 7.510 444 1HD1 ILE 61 3HD1 ILE 61 -9.129 -25.993 9.234 445 2HD1 ILE 61 2HD1 ILE 61 -10.191 -26.106 10.637 446 3HD1 ILE 61 1HD1 ILE 61 -10.333 -27.280 9.327 447 H SER 62 H SER 62 -8.938 -22.256 11.701 448 HA SER 62 HA SER 62 -10.553 -19.783 11.914 449 1HB SER 62 2HB SER 62 -7.726 -20.306 12.886 450 2HB SER 62 1HB SER 62 -8.769 -18.958 13.339 451 HG SER 62 HG SER 62 -9.773 -21.518 13.714 452 H PHE 63 H PHE 63 -9.389 -17.718 11.233 453 HA PHE 63 HA PHE 63 -8.733 -17.801 8.489 454 1HB PHE 63 2HB PHE 63 -9.346 -15.706 9.649 455 2HB PHE 63 1HB PHE 63 -7.822 -15.756 10.540 456 HD1 PHE 63 HD1 PHE 63 -8.806 -16.351 6.970 457 HD2 PHE 63 HD2 PHE 63 -6.278 -14.219 9.709 458 HE1 PHE 63 HE1 PHE 63 -7.655 -15.267 5.062 459 HE2 PHE 63 HE2 PHE 63 -5.122 -13.139 7.801 460 HZ PHE 63 HZ PHE 63 -5.817 -13.660 5.475 461 H GLN 64 H GLN 64 -6.634 -17.852 11.341 462 HA GLN 64 HA GLN 64 -4.139 -17.822 9.969 463 1HB GLN 64 2HB GLN 64 -4.489 -17.540 12.451 464 2HB GLN 64 1HB GLN 64 -4.790 -19.275 12.550 465 1HG GLN 64 2HG GLN 64 -2.466 -18.956 13.073 466 2HG GLN 64 1HG GLN 64 -2.528 -19.616 11.438 467 1HE2 GLN 64 1HE2 GLN 64 -1.401 -18.439 9.874 468 2HE2 GLN 64 2HE2 GLN 64 -0.907 -16.824 10.043 469 H GLU 65 H GLU 65 -6.122 -20.566 11.125 470 HA GLU 65 HA GLU 65 -4.465 -22.651 10.147 471 1HB GLU 65 2HB GLU 65 -7.353 -22.373 10.836 472 2HB GLU 65 1HB GLU 65 -6.881 -23.781 9.893 473 1HG GLU 65 2HG GLU 65 -5.242 -24.412 11.589 474 2HG GLU 65 1HG GLU 65 -5.595 -22.952 12.512 475 H PHE 66 H PHE 66 -7.195 -20.970 8.601 476 HA PHE 66 HA PHE 66 -7.093 -22.392 6.131 477 1HB PHE 66 2HB PHE 66 -8.972 -20.909 6.870 478 2HB PHE 66 1HB PHE 66 -7.938 -19.514 6.567 479 HD1 PHE 66 HD1 PHE 66 -9.779 -22.310 5.014 480 HD2 PHE 66 HD2 PHE 66 -7.355 -18.836 4.308 481 HE1 PHE 66 HE1 PHE 66 -10.397 -22.366 2.613 482 HE2 PHE 66 HE2 PHE 66 -7.973 -18.892 1.908 483 HZ PHE 66 HZ PHE 66 -9.495 -20.657 1.060 484 H THR 67 H THR 67 -5.451 -19.452 7.234 485 HA THR 67 HA THR 67 -4.200 -18.821 4.734 486 HB THR 67 HB THR 67 -3.447 -18.212 7.604 487 HG1 THR 67 HG1 THR 67 -4.389 -16.563 5.502 488 1HG2 THR 67 1HG2 THR 67 -1.420 -18.264 6.175 489 2HG2 THR 67 3HG2 THR 67 -2.193 -17.135 5.062 490 3HG2 THR 67 2HG2 THR 67 -1.807 -16.628 6.706 491 H ASP 68 H ASP 68 -3.057 -20.678 7.563 492 HA ASP 68 HA ASP 68 -0.498 -21.348 6.522 493 1HB ASP 68 2HB ASP 68 -2.306 -22.904 8.395 494 2HB ASP 68 1HB ASP 68 -0.608 -23.283 8.105 495 H PHE 69 H PHE 69 -3.664 -22.874 6.088 496 HA PHE 69 HA PHE 69 -2.595 -25.108 4.568 497 1HB PHE 69 2HB PHE 69 -4.607 -25.743 5.479 498 2HB PHE 69 1HB PHE 69 -5.260 -24.108 5.434 499 HD1 PHE 69 HD1 PHE 69 -5.879 -23.139 3.146 500 HD2 PHE 69 HD2 PHE 69 -5.232 -27.320 3.848 501 HE1 PHE 69 HE1 PHE 69 -7.139 -23.681 1.073 502 HE2 PHE 69 HE2 PHE 69 -6.484 -27.867 1.783 503 HZ PHE 69 HZ PHE 69 -7.442 -26.048 0.393 504 H GLY 70 H GLY 70 -4.022 -21.957 3.846 505 1HA GLY 70 1HA GLY 70 -4.046 -20.722 1.850 506 2HA GLY 70 2HA GLY 70 -4.347 -22.260 1.042 507 H ARG 71 H ARG 71 -1.486 -21.672 2.992 508 HA ARG 71 HA ARG 71 0.244 -20.910 0.806 509 1HB ARG 71 2HB ARG 71 0.938 -22.183 3.473 510 2HB ARG 71 1HB ARG 71 2.080 -21.398 2.382 511 1HG ARG 71 2HG ARG 71 0.867 -19.273 2.616 512 2HG ARG 71 1HG ARG 71 -0.314 -20.049 3.671 513 1HD ARG 71 2HD ARG 71 2.654 -19.754 4.228 514 2HD ARG 71 1HD ARG 71 1.355 -18.862 5.020 515 HE ARG 71 HE ARG 71 0.985 -21.722 5.284 516 1HH1 ARG 71 1HH1 ARG 71 3.042 -19.161 6.306 517 2HH1 ARG 71 2HH1 ARG 71 3.171 -19.733 7.935 518 1HH2 ARG 71 1HH2 ARG 71 1.004 -22.396 7.455 519 2HH2 ARG 71 2HH2 ARG 71 2.018 -21.563 8.587 520 H ALA 72 H ALA 72 -0.818 -23.963 2.161 521 HA ALA 72 HA ALA 72 1.156 -25.627 0.880 522 1HB ALA 72 1HB ALA 72 0.122 -27.172 2.149 523 2HB ALA 72 2HB ALA 72 -1.332 -27.016 1.165 524 3HB ALA 72 3HB ALA 72 -1.108 -25.983 2.577 525 H ASN 73 H ASN 73 -1.695 -24.011 -0.229 526 HA ASN 73 HA ASN 73 -1.207 -25.044 -2.951 527 1HB ASN 73 2HB ASN 73 -4.040 -25.094 -1.946 528 2HB ASN 73 1HB ASN 73 -3.322 -25.977 -3.295 529 1HD2 ASN 73 1HD2 ASN 73 -4.155 -26.182 0.042 530 2HD2 ASN 73 2HD2 ASN 73 -3.378 -27.653 0.375 531 H ARG 74 H ARG 74 -0.541 -22.585 -2.429 532 HA ARG 74 HA ARG 74 -2.428 -20.525 -2.231 533 1HB ARG 74 2HB ARG 74 -0.809 -19.121 -3.472 534 2HB ARG 74 1HB ARG 74 0.004 -20.114 -2.263 535 1HG ARG 74 2HG ARG 74 0.468 -21.804 -4.070 536 2HG ARG 74 1HG ARG 74 -0.180 -20.655 -5.240 537 1HD ARG 74 2HD ARG 74 2.205 -20.354 -5.224 538 2HD ARG 74 1HD ARG 74 1.515 -18.977 -4.366 539 HE ARG 74 HE ARG 74 2.376 -21.291 -2.728 540 1HH1 ARG 74 1HH1 ARG 74 3.416 -18.424 -4.268 541 2HH1 ARG 74 2HH1 ARG 74 4.333 -17.854 -2.914 542 1HH2 ARG 74 1HH2 ARG 74 3.332 -20.425 -0.814 543 2HH2 ARG 74 2HH2 ARG 74 4.285 -18.987 -0.959 544 H GLY 75 H GLY 75 -1.460 -22.411 -5.051 545 1HA GLY 75 1HA GLY 75 -2.499 -22.685 -7.122 546 2HA GLY 75 2HA GLY 75 -2.868 -20.962 -7.039 547 H LEU 76 H LEU 76 -3.954 -23.308 -4.657 548 HA LEU 76 HA LEU 76 -6.547 -23.808 -5.771 549 1HB LEU 76 2HB LEU 76 -5.401 -23.995 -2.991 550 2HB LEU 76 1HB LEU 76 -7.113 -24.296 -3.282 551 HG LEU 76 HG LEU 76 -4.836 -25.717 -4.694 552 1HD1 LEU 76 2HD1 LEU 76 -5.861 -26.099 -2.093 553 2HD1 LEU 76 1HD1 LEU 76 -6.574 -27.374 -3.080 554 3HD1 LEU 76 3HD1 LEU 76 -4.822 -27.200 -2.997 555 1HD2 LEU 76 2HD2 LEU 76 -7.849 -25.965 -4.791 556 2HD2 LEU 76 1HD2 LEU 76 -6.742 -25.670 -6.133 557 3HD2 LEU 76 3HD2 LEU 76 -6.777 -27.249 -5.349 558 H LEU 77 H LEU 77 -5.391 -21.405 -3.424 559 HA LEU 77 HA LEU 77 -7.910 -20.209 -2.875 560 1HB LEU 77 2HB LEU 77 -5.072 -19.189 -2.785 561 2HB LEU 77 1HB LEU 77 -6.434 -18.152 -2.364 562 HG LEU 77 HG LEU 77 -5.283 -19.451 -0.448 563 1HD1 LEU 77 2HD1 LEU 77 -8.200 -19.231 -1.048 564 2HD1 LEU 77 1HD1 LEU 77 -7.723 -20.154 0.376 565 3HD1 LEU 77 3HD1 LEU 77 -7.257 -18.460 0.227 566 1HD2 LEU 77 2HD2 LEU 77 -6.909 -21.678 -1.709 567 2HD2 LEU 77 1HD2 LEU 77 -5.151 -21.624 -1.585 568 3HD2 LEU 77 3HD2 LEU 77 -6.133 -21.753 -0.127 569 H LYS 78 H LYS 78 -5.492 -19.507 -5.382 570 HA LYS 78 HA LYS 78 -6.847 -17.228 -6.471 571 1HB LYS 78 2HB LYS 78 -4.943 -19.205 -7.759 572 2HB LYS 78 1HB LYS 78 -5.466 -17.698 -8.509 573 1HG LYS 78 2HG LYS 78 -4.615 -16.519 -6.406 574 2HG LYS 78 1HG LYS 78 -3.847 -18.047 -5.977 575 1HD LYS 78 2HD LYS 78 -3.395 -16.555 -8.579 576 2HD LYS 78 1HD LYS 78 -2.300 -16.523 -7.199 577 1HE LYS 78 2HE LYS 78 -3.106 -19.218 -8.145 578 2HE LYS 78 1HE LYS 78 -2.069 -18.300 -9.236 579 1HZ LYS 78 3HZ LYS 78 -1.505 -18.779 -6.361 580 2HZ LYS 78 2HZ LYS 78 -0.808 -19.647 -7.644 581 3HZ LYS 78 1HZ LYS 78 -0.491 -17.987 -7.466 582 H ASP 79 H ASP 79 -7.295 -20.676 -6.856 583 HA ASP 79 HA ASP 79 -9.034 -20.358 -9.203 584 1HB ASP 79 2HB ASP 79 -7.983 -22.635 -7.587 585 2HB ASP 79 1HB ASP 79 -9.487 -22.890 -8.473 586 H VAL 80 H VAL 80 -9.439 -21.378 -5.811 587 HA VAL 80 HA VAL 80 -12.293 -21.553 -5.915 588 HB VAL 80 HB VAL 80 -10.641 -22.423 -4.115 589 1HG1 VAL 80 3HG1 VAL 80 -9.617 -20.218 -3.641 590 2HG1 VAL 80 2HG1 VAL 80 -11.173 -19.637 -3.048 591 3HG1 VAL 80 1HG1 VAL 80 -10.331 -20.930 -2.194 592 1HG2 VAL 80 1HG2 VAL 80 -13.376 -21.290 -3.776 593 2HG2 VAL 80 3HG2 VAL 80 -12.819 -22.954 -3.591 594 3HG2 VAL 80 2HG2 VAL 80 -12.523 -21.778 -2.310 595 H ALA 81 H ALA 81 -10.105 -18.952 -4.933 596 HA ALA 81 HA ALA 81 -11.936 -17.050 -4.022 597 1HB ALA 81 2HB ALA 81 -9.493 -16.684 -4.037 598 2HB ALA 81 1HB ALA 81 -9.528 -16.538 -5.794 599 3HB ALA 81 3HB ALA 81 -10.338 -15.334 -4.792 600 H LYS 82 H LYS 82 -11.108 -17.855 -7.374 601 HA LYS 82 HA LYS 82 -12.696 -15.797 -8.587 602 1HB LYS 82 2HB LYS 82 -11.804 -18.506 -9.619 603 2HB LYS 82 1HB LYS 82 -12.594 -17.285 -10.616 604 1HG LYS 82 2HG LYS 82 -10.756 -15.678 -9.885 605 2HG LYS 82 1HG LYS 82 -9.921 -17.078 -9.210 606 1HD LYS 82 2HD LYS 82 -10.154 -18.159 -11.512 607 2HD LYS 82 1HD LYS 82 -10.653 -16.574 -12.103 608 1HE LYS 82 2HE LYS 82 -8.413 -16.275 -12.433 609 2HE LYS 82 1HE LYS 82 -8.410 -15.904 -10.709 610 1HZ LYS 82 3HZ LYS 82 -8.019 -18.308 -10.309 611 2HZ LYS 82 2HZ LYS 82 -7.823 -18.518 -11.984 612 3HZ LYS 82 1HZ LYS 82 -6.746 -17.530 -11.116 613 H ILE 83 H ILE 83 -13.484 -18.915 -7.222 614 HA ILE 83 HA ILE 83 -15.990 -19.346 -8.519 615 HB ILE 83 HB ILE 83 -15.028 -20.138 -5.756 616 1HG1 ILE 83 2HG1 ILE 83 -15.195 -21.598 -8.410 617 2HG1 ILE 83 1HG1 ILE 83 -13.722 -21.119 -7.565 618 1HG2 ILE 83 2HG2 ILE 83 -17.578 -20.668 -7.249 619 2HG2 ILE 83 1HG2 ILE 83 -16.918 -21.928 -6.207 620 3HG2 ILE 83 3HG2 ILE 83 -17.337 -20.355 -5.529 621 1HD1 ILE 83 1HD1 ILE 83 -14.949 -22.530 -5.602 622 2HD1 ILE 83 3HD1 ILE 83 -15.570 -23.377 -7.018 623 3HD1 ILE 83 2HD1 ILE 83 -13.831 -23.257 -6.755 624 H PHE 84 H PHE 84 -15.058 -17.339 -5.784 625 HA PHE 84 HA PHE 84 -17.907 -16.529 -5.432 626 1HB PHE 84 2HB PHE 84 -15.488 -16.002 -3.678 627 2HB PHE 84 1HB PHE 84 -17.145 -15.524 -3.308 628 HD1 PHE 84 HD1 PHE 84 -15.261 -18.592 -4.386 629 HD2 PHE 84 HD2 PHE 84 -18.377 -16.940 -1.933 630 HE1 PHE 84 HE1 PHE 84 -15.692 -20.837 -3.421 631 HE2 PHE 84 HE2 PHE 84 -18.807 -19.185 -0.968 632 HZ PHE 84 HZ PHE 84 -17.465 -21.133 -1.712 No H/Q in entry = 632 Start of MODEL 18 1 H1 ALA 1 3H ALA 1 8.536 -15.430 2.139 2 H2 ALA 1 2H ALA 1 10.178 -15.815 2.354 3 H3 ALA 1 1H ALA 1 9.370 -14.852 3.498 4 HA ALA 1 HA ALA 1 9.753 -12.995 2.372 5 1HB ALA 1 2HB ALA 1 11.691 -14.933 1.593 6 2HB ALA 1 3HB ALA 1 11.874 -13.180 1.644 7 3HB ALA 1 1HB ALA 1 11.308 -13.966 0.169 8 H ASP 2 H ASP 2 8.763 -15.652 0.281 9 HA ASP 2 HA ASP 2 7.947 -13.918 -1.912 10 1HB ASP 2 2HB ASP 2 7.407 -16.823 -1.256 11 2HB ASP 2 1HB ASP 2 6.768 -16.034 -2.698 12 H ASP 3 H ASP 3 6.458 -15.157 1.001 13 HA ASP 3 HA ASP 3 3.735 -14.525 0.134 14 1HB ASP 3 2HB ASP 3 4.284 -16.316 1.819 15 2HB ASP 3 1HB ASP 3 4.751 -15.040 2.943 16 H HIS 4 H HIS 4 3.018 -12.457 0.030 17 HA HIS 4 HA HIS 4 4.282 -10.443 1.840 18 1HB HIS 4 2HB HIS 4 2.853 -8.969 0.023 19 2HB HIS 4 1HB HIS 4 4.558 -9.370 -0.151 20 HD1 HIS 4 HD1 HIS 4 1.135 -10.452 -1.321 21 HD2 HIS 4 HD2 HIS 4 5.137 -11.220 -2.196 22 HE1 HIS 4 HE1 HIS 4 1.152 -11.812 -3.457 23 HA PRO 5 HA PRO 5 0.482 -9.589 3.940 24 1HB PRO 5 2HB PRO 5 0.195 -6.902 3.782 25 2HB PRO 5 1HB PRO 5 1.400 -7.681 4.812 26 1HG PRO 5 2HG PRO 5 1.731 -6.469 2.090 27 2HG PRO 5 1HG PRO 5 2.766 -6.300 3.513 28 1HD PRO 5 1HD PRO 5 3.392 -7.989 1.514 29 2HD PRO 5 2HD PRO 5 3.758 -8.375 3.196 30 H GLN 6 H GLN 6 0.786 -8.388 0.665 31 HA GLN 6 HA GLN 6 -1.918 -7.569 0.252 32 1HB GLN 6 2HB GLN 6 0.216 -8.624 -1.615 33 2HB GLN 6 1HB GLN 6 -1.359 -8.081 -2.183 34 1HG GLN 6 2HG GLN 6 0.754 -6.451 -0.757 35 2HG GLN 6 1HG GLN 6 0.115 -6.198 -2.381 36 1HE2 GLN 6 1HE2 GLN 6 -0.653 -5.880 1.077 37 2HE2 GLN 6 2HE2 GLN 6 -1.994 -4.862 0.859 38 H ASP 7 H ASP 7 -0.289 -10.699 -0.108 39 HA ASP 7 HA ASP 7 -2.442 -12.148 -1.249 40 1HB ASP 7 2HB ASP 7 -0.228 -13.003 0.628 41 2HB ASP 7 1HB ASP 7 -1.375 -14.144 -0.076 42 H LYS 8 H LYS 8 -1.674 -11.485 2.153 43 HA LYS 8 HA LYS 8 -3.652 -13.029 3.403 44 1HB LYS 8 2HB LYS 8 -2.319 -10.432 4.063 45 2HB LYS 8 1HB LYS 8 -3.707 -10.929 5.031 46 1HG LYS 8 2HG LYS 8 -2.431 -13.246 5.087 47 2HG LYS 8 1HG LYS 8 -1.024 -12.237 4.747 48 1HD LYS 8 2HD LYS 8 -1.859 -10.759 6.699 49 2HD LYS 8 1HD LYS 8 -2.873 -12.135 7.130 50 1HE LYS 8 2HE LYS 8 -0.829 -12.357 8.380 51 2HE LYS 8 1HE LYS 8 -0.773 -13.559 7.090 52 1HZ LYS 8 1HZ LYS 8 0.329 -11.480 5.865 53 2HZ LYS 8 3HZ LYS 8 0.815 -11.155 7.456 54 3HZ LYS 8 2HZ LYS 8 1.229 -12.633 6.729 55 H ALA 9 H ALA 9 -3.954 -9.906 1.784 56 HA ALA 9 HA ALA 9 -6.612 -9.293 2.583 57 1HB ALA 9 1HB ALA 9 -4.718 -8.285 0.698 58 2HB ALA 9 2HB ALA 9 -6.184 -7.501 1.285 59 3HB ALA 9 3HB ALA 9 -6.246 -8.522 -0.151 60 H GLU 10 H GLU 10 -5.395 -11.153 -0.187 61 HA GLU 10 HA GLU 10 -8.000 -11.818 -1.216 62 1HB GLU 10 2HB GLU 10 -5.420 -13.388 -1.506 63 2HB GLU 10 1HB GLU 10 -6.837 -13.500 -2.549 64 1HG GLU 10 2HG GLU 10 -5.134 -11.020 -2.155 65 2HG GLU 10 1HG GLU 10 -5.096 -12.072 -3.568 66 H ARG 11 H ARG 11 -5.753 -13.492 0.961 67 HA ARG 11 HA ARG 11 -7.356 -15.837 1.336 68 1HB ARG 11 2HB ARG 11 -5.260 -14.507 3.065 69 2HB ARG 11 1HB ARG 11 -6.012 -16.044 3.483 70 1HG ARG 11 2HG ARG 11 -5.309 -16.830 1.135 71 2HG ARG 11 1HG ARG 11 -4.285 -15.397 1.088 72 1HD ARG 11 2HD ARG 11 -3.541 -16.312 3.485 73 2HD ARG 11 1HD ARG 11 -4.050 -17.847 2.779 74 HE ARG 11 HE ARG 11 -1.897 -16.105 1.666 75 1HH1 ARG 11 1HH1 ARG 11 -3.191 -17.857 -0.369 76 2HH1 ARG 11 2HH1 ARG 11 -2.228 -19.294 -0.287 77 1HH2 ARG 11 1HH2 ARG 11 -0.814 -18.491 2.776 78 2HH2 ARG 11 2HH2 ARG 11 -0.883 -19.653 1.493 79 H GLU 12 H GLU 12 -7.217 -12.736 3.025 80 HA GLU 12 HA GLU 12 -9.023 -13.417 5.140 81 1HB GLU 12 2HB GLU 12 -7.936 -10.911 3.970 82 2HB GLU 12 1HB GLU 12 -9.442 -10.759 4.874 83 1HG GLU 12 2HG GLU 12 -8.291 -12.118 6.720 84 2HG GLU 12 1HG GLU 12 -6.785 -11.827 5.848 85 H ARG 13 H ARG 13 -9.542 -12.078 1.898 86 HA ARG 13 HA ARG 13 -12.388 -11.710 2.239 87 1HB ARG 13 2HB ARG 13 -10.783 -12.090 -0.308 88 2HB ARG 13 1HB ARG 13 -12.433 -11.475 -0.213 89 1HG ARG 13 2HG ARG 13 -11.734 -9.508 0.943 90 2HG ARG 13 1HG ARG 13 -10.132 -10.173 1.255 91 1HD ARG 13 2HD ARG 13 -9.750 -8.734 -0.565 92 2HD ARG 13 1HD ARG 13 -9.944 -10.304 -1.344 93 HE ARG 13 HE ARG 13 -11.995 -8.142 -1.312 94 1HH1 ARG 13 1HH1 ARG 13 -10.289 -9.998 -3.398 95 2HH1 ARG 13 2HH1 ARG 13 -11.641 -10.689 -4.232 96 1HH2 ARG 13 1HH2 ARG 13 -13.978 -9.546 -1.939 97 2HH2 ARG 13 2HH2 ARG 13 -13.729 -10.433 -3.405 98 H ILE 14 H ILE 14 -10.358 -14.335 1.023 99 HA ILE 14 HA ILE 14 -12.577 -15.992 0.177 100 HB ILE 14 HB ILE 14 -9.763 -16.827 0.948 101 1HG1 ILE 14 2HG1 ILE 14 -10.708 -16.348 -1.862 102 2HG1 ILE 14 1HG1 ILE 14 -10.156 -14.988 -0.888 103 1HG2 ILE 14 3HG2 ILE 14 -11.987 -18.122 -0.645 104 2HG2 ILE 14 2HG2 ILE 14 -10.310 -18.656 -0.748 105 3HG2 ILE 14 1HG2 ILE 14 -11.173 -18.755 0.786 106 1HD1 ILE 14 3HD1 ILE 14 -8.233 -16.971 -0.455 107 2HD1 ILE 14 2HD1 ILE 14 -8.597 -17.087 -2.178 108 3HD1 ILE 14 1HD1 ILE 14 -8.055 -15.555 -1.491 109 H PHE 15 H PHE 15 -10.530 -15.866 3.104 110 HA PHE 15 HA PHE 15 -11.904 -18.036 4.416 111 1HB PHE 15 2HB PHE 15 -9.639 -17.313 5.092 112 2HB PHE 15 1HB PHE 15 -10.294 -15.763 5.627 113 HD1 PHE 15 HD1 PHE 15 -10.153 -19.392 6.284 114 HD2 PHE 15 HD2 PHE 15 -11.672 -15.612 7.644 115 HE1 PHE 15 HE1 PHE 15 -10.764 -20.422 8.454 116 HE2 PHE 15 HE2 PHE 15 -12.287 -16.643 9.817 117 HZ PHE 15 HZ PHE 15 -11.835 -19.050 10.221 118 H LYS 16 H LYS 16 -12.336 -14.533 4.336 119 HA LYS 16 HA LYS 16 -14.293 -14.392 6.431 120 1HB LYS 16 2HB LYS 16 -13.573 -12.636 4.093 121 2HB LYS 16 1HB LYS 16 -15.005 -12.276 5.058 122 1HG LYS 16 2HG LYS 16 -13.577 -12.303 7.108 123 2HG LYS 16 1HG LYS 16 -12.161 -12.540 6.083 124 1HD LYS 16 2HD LYS 16 -12.802 -10.419 4.865 125 2HD LYS 16 1HD LYS 16 -14.036 -10.158 6.098 126 1HE LYS 16 2HE LYS 16 -11.873 -10.643 7.672 127 2HE LYS 16 1HE LYS 16 -11.088 -9.890 6.283 128 1HZ LYS 16 3HZ LYS 16 -13.452 -8.731 7.646 129 2HZ LYS 16 2HZ LYS 16 -11.852 -8.320 8.044 130 3HZ LYS 16 1HZ LYS 16 -12.457 -7.988 6.491 131 H ARG 17 H ARG 17 -14.458 -15.226 3.027 132 HA ARG 17 HA ARG 17 -17.335 -15.056 2.806 133 1HB ARG 17 2HB ARG 17 -15.242 -16.543 1.197 134 2HB ARG 17 1HB ARG 17 -16.956 -16.542 0.782 135 1HG ARG 17 2HG ARG 17 -15.609 -13.911 1.270 136 2HG ARG 17 1HG ARG 17 -15.304 -14.738 -0.257 137 1HD ARG 17 2HD ARG 17 -17.768 -14.912 -0.612 138 2HD ARG 17 1HD ARG 17 -18.020 -13.990 0.869 139 HE ARG 17 HE ARG 17 -17.071 -12.911 -1.695 140 1HH1 ARG 17 1HH1 ARG 17 -15.196 -11.854 0.347 141 2HH1 ARG 17 2HH1 ARG 17 -16.013 -10.438 0.917 142 1HH2 ARG 17 1HH2 ARG 17 -19.092 -11.373 -0.376 143 2HH2 ARG 17 2HH2 ARG 17 -18.220 -10.166 0.508 144 H PHE 18 H PHE 18 -15.048 -17.634 3.620 145 HA PHE 18 HA PHE 18 -16.997 -19.743 3.737 146 1HB PHE 18 2HB PHE 18 -14.256 -19.366 4.934 147 2HB PHE 18 1HB PHE 18 -15.225 -20.792 5.308 148 HD1 PHE 18 HD1 PHE 18 -16.171 -22.142 3.313 149 HD2 PHE 18 HD2 PHE 18 -13.001 -19.267 2.947 150 HE1 PHE 18 HE1 PHE 18 -15.491 -23.166 1.159 151 HE2 PHE 18 HE2 PHE 18 -12.321 -20.291 0.793 152 HZ PHE 18 HZ PHE 18 -13.565 -22.241 -0.100 153 H ASP 19 H ASP 19 -15.602 -17.648 6.259 154 HA ASP 19 HA ASP 19 -17.101 -18.722 8.433 155 1HB ASP 19 2HB ASP 19 -15.133 -16.967 8.382 156 2HB ASP 19 1HB ASP 19 -16.445 -15.790 8.298 157 H ALA 20 H ALA 20 -19.302 -18.974 8.129 158 HA ALA 20 HA ALA 20 -20.923 -17.122 6.641 159 1HB ALA 20 3HB ALA 20 -21.325 -19.637 7.251 160 2HB ALA 20 2HB ALA 20 -22.061 -18.976 8.711 161 3HB ALA 20 1HB ALA 20 -22.706 -18.546 7.126 162 H ASN 21 H ASN 21 -20.684 -17.704 10.192 163 HA ASN 21 HA ASN 21 -22.344 -15.309 10.630 164 1HB ASN 21 2HB ASN 21 -22.236 -15.886 12.999 165 2HB ASN 21 1HB ASN 21 -22.648 -17.317 12.060 166 1HD2 ASN 21 1HD2 ASN 21 -21.410 -17.297 14.701 167 2HD2 ASN 21 2HD2 ASN 21 -19.900 -18.049 14.546 168 H GLY 22 H GLY 22 -18.979 -16.256 10.806 169 1HA GLY 22 1HA GLY 22 -18.281 -13.396 11.128 170 2HA GLY 22 2HA GLY 22 -17.174 -14.671 10.625 171 H ASP 23 H ASP 23 -17.917 -16.473 12.821 172 HA ASP 23 HA ASP 23 -17.205 -14.960 15.252 173 1HB ASP 23 2HB ASP 23 -17.456 -17.106 16.431 174 2HB ASP 23 1HB ASP 23 -18.868 -16.777 15.429 175 H GLY 24 H GLY 24 -15.471 -15.932 12.709 176 1HA GLY 24 1HA GLY 24 -13.014 -16.159 14.335 177 2HA GLY 24 2HA GLY 24 -13.079 -15.847 12.602 178 H LYS 25 H LYS 25 -15.184 -18.371 13.264 179 HA LYS 25 HA LYS 25 -13.082 -20.332 12.484 180 1HB LYS 25 2HB LYS 25 -14.073 -21.992 13.998 181 2HB LYS 25 1HB LYS 25 -13.562 -20.568 14.901 182 1HG LYS 25 2HG LYS 25 -15.775 -19.797 15.162 183 2HG LYS 25 1HG LYS 25 -16.381 -20.824 13.860 184 1HD LYS 25 2HD LYS 25 -15.522 -22.786 15.389 185 2HD LYS 25 1HD LYS 25 -15.622 -21.576 16.671 186 1HE LYS 25 2HE LYS 25 -17.985 -21.606 14.929 187 2HE LYS 25 1HE LYS 25 -17.729 -23.131 15.777 188 1HZ LYS 25 1HZ LYS 25 -17.600 -20.527 17.171 189 2HZ LYS 25 3HZ LYS 25 -19.063 -21.360 16.971 190 3HZ LYS 25 2HZ LYS 25 -17.792 -22.075 17.843 191 H ILE 26 H ILE 26 -13.742 -21.919 11.056 192 HA ILE 26 HA ILE 26 -16.478 -21.569 9.907 193 HB ILE 26 HB ILE 26 -14.177 -22.911 8.502 194 1HG1 ILE 26 2HG1 ILE 26 -14.808 -19.945 8.573 195 2HG1 ILE 26 1HG1 ILE 26 -13.358 -20.710 9.224 196 1HG2 ILE 26 1HG2 ILE 26 -16.569 -23.029 7.664 197 2HG2 ILE 26 3HG2 ILE 26 -16.499 -21.281 7.441 198 3HG2 ILE 26 2HG2 ILE 26 -15.419 -22.330 6.524 199 1HD1 ILE 26 3HD1 ILE 26 -13.893 -21.446 6.438 200 2HD1 ILE 26 2HD1 ILE 26 -13.628 -19.716 6.655 201 3HD1 ILE 26 1HD1 ILE 26 -12.401 -20.868 7.178 202 H SER 27 H SER 27 -17.830 -23.288 9.955 203 HA SER 27 HA SER 27 -16.766 -25.867 11.000 204 1HB SER 27 2HB SER 27 -18.863 -26.259 11.969 205 2HB SER 27 1HB SER 27 -18.697 -24.512 12.146 206 HG SER 27 HG SER 27 -20.171 -24.191 10.654 207 H ALA 28 H ALA 28 -17.935 -27.838 10.072 208 HA ALA 28 HA ALA 28 -17.595 -28.028 7.303 209 1HB ALA 28 2HB ALA 28 -19.694 -29.571 8.847 210 2HB ALA 28 3HB ALA 28 -17.972 -29.946 8.925 211 3HB ALA 28 1HB ALA 28 -18.837 -30.089 7.394 212 H ALA 29 H ALA 29 -20.580 -27.274 9.091 213 HA ALA 29 HA ALA 29 -22.306 -27.080 6.865 214 1HB ALA 29 1HB ALA 29 -22.932 -26.955 9.336 215 2HB ALA 29 3HB ALA 29 -22.433 -25.264 9.281 216 3HB ALA 29 2HB ALA 29 -23.773 -25.822 8.278 217 H GLU 30 H GLU 30 -20.104 -24.672 8.263 218 HA GLU 30 HA GLU 30 -20.943 -22.597 6.409 219 1HB GLU 30 2HB GLU 30 -18.489 -22.825 8.176 220 2HB GLU 30 1HB GLU 30 -18.946 -21.377 7.276 221 1HG GLU 30 2HG GLU 30 -21.097 -21.307 8.495 222 2HG GLU 30 1HG GLU 30 -20.625 -22.742 9.404 223 H LEU 31 H LEU 31 -17.953 -24.549 6.699 224 HA LEU 31 HA LEU 31 -16.836 -23.662 4.230 225 1HB LEU 31 2HB LEU 31 -15.684 -24.975 6.110 226 2HB LEU 31 1HB LEU 31 -16.430 -26.414 5.418 227 HG LEU 31 HG LEU 31 -14.781 -24.501 3.755 228 1HD1 LEU 31 3HD1 LEU 31 -13.691 -25.793 5.860 229 2HD1 LEU 31 2HD1 LEU 31 -13.619 -27.085 4.662 230 3HD1 LEU 31 1HD1 LEU 31 -12.823 -25.544 4.345 231 1HD2 LEU 31 2HD2 LEU 31 -16.003 -27.215 3.426 232 2HD2 LEU 31 1HD2 LEU 31 -15.942 -25.872 2.285 233 3HD2 LEU 31 3HD2 LEU 31 -14.506 -26.857 2.566 234 H GLY 32 H GLY 32 -18.896 -26.446 5.026 235 1HA GLY 32 1HA GLY 32 -20.175 -27.836 3.636 236 2HA GLY 32 2HA GLY 32 -18.967 -27.545 2.385 237 H GLU 33 H GLU 33 -21.101 -25.246 4.069 238 HA GLU 33 HA GLU 33 -22.997 -24.916 1.994 239 1HB GLU 33 2HB GLU 33 -22.075 -23.271 4.308 240 2HB GLU 33 1HB GLU 33 -23.045 -22.473 3.073 241 1HG GLU 33 2HG GLU 33 -24.704 -24.390 3.304 242 2HG GLU 33 1HG GLU 33 -23.793 -24.895 4.728 243 H ALA 34 H ALA 34 -19.907 -23.240 2.559 244 HA ALA 34 HA ALA 34 -20.224 -21.507 0.254 245 1HB ALA 34 3HB ALA 34 -18.649 -20.580 1.659 246 2HB ALA 34 2HB ALA 34 -18.056 -22.152 2.197 247 3HB ALA 34 1HB ALA 34 -17.556 -21.510 0.632 248 H LEU 35 H LEU 35 -18.629 -24.589 0.911 249 HA LEU 35 HA LEU 35 -17.304 -24.925 -1.570 250 1HB LEU 35 2HB LEU 35 -18.076 -26.604 0.684 251 2HB LEU 35 1HB LEU 35 -18.183 -27.475 -0.845 252 HG LEU 35 HG LEU 35 -15.773 -25.939 0.169 253 1HD1 LEU 35 2HD1 LEU 35 -16.426 -28.880 -0.100 254 2HD1 LEU 35 1HD1 LEU 35 -14.770 -28.291 0.047 255 3HD1 LEU 35 3HD1 LEU 35 -15.925 -28.009 1.350 256 1HD2 LEU 35 2HD2 LEU 35 -16.556 -26.967 -2.482 257 2HD2 LEU 35 1HD2 LEU 35 -15.350 -25.752 -2.059 258 3HD2 LEU 35 3HD2 LEU 35 -14.949 -27.467 -1.956 259 H LYS 36 H LYS 36 -20.686 -25.388 -0.678 260 HA LYS 36 HA LYS 36 -21.663 -26.960 -2.738 261 1HB LYS 36 2HB LYS 36 -22.733 -24.953 -0.975 262 2HB LYS 36 1HB LYS 36 -23.429 -24.742 -2.582 263 1HG LYS 36 2HG LYS 36 -24.236 -26.990 -2.632 264 2HG LYS 36 1HG LYS 36 -23.269 -27.442 -1.228 265 1HD LYS 36 2HD LYS 36 -24.906 -25.208 -0.505 266 2HD LYS 36 1HD LYS 36 -25.933 -26.420 -1.270 267 1HE LYS 36 2HE LYS 36 -25.452 -28.036 0.340 268 2HE LYS 36 1HE LYS 36 -23.914 -27.291 0.775 269 1HZ LYS 36 1HZ LYS 36 -26.199 -25.602 1.229 270 2HZ LYS 36 3HZ LYS 36 -26.215 -27.020 2.157 271 3HZ LYS 36 2HZ LYS 36 -24.892 -25.959 2.252 272 H THR 37 H THR 37 -20.297 -23.757 -2.982 273 HA THR 37 HA THR 37 -21.340 -22.863 -5.430 274 HB THR 37 HB THR 37 -19.700 -21.655 -3.899 275 HG1 THR 37 HG1 THR 37 -19.996 -20.588 -5.725 276 1HG2 THR 37 1HG2 THR 37 -18.077 -23.565 -3.815 277 2HG2 THR 37 3HG2 THR 37 -17.670 -23.235 -5.500 278 3HG2 THR 37 2HG2 THR 37 -17.331 -22.030 -4.258 279 H LEU 38 H LEU 38 -19.107 -25.460 -4.774 280 HA LEU 38 HA LEU 38 -18.000 -25.714 -7.412 281 1HB LEU 38 2HB LEU 38 -18.435 -27.761 -5.218 282 2HB LEU 38 1HB LEU 38 -17.534 -28.086 -6.700 283 HG LEU 38 HG LEU 38 -16.874 -26.051 -4.554 284 1HD1 LEU 38 3HD1 LEU 38 -15.701 -28.635 -5.537 285 2HD1 LEU 38 2HD1 LEU 38 -14.635 -27.410 -4.849 286 3HD1 LEU 38 1HD1 LEU 38 -15.946 -28.082 -3.881 287 1HD2 LEU 38 1HD2 LEU 38 -15.915 -26.346 -7.392 288 2HD2 LEU 38 3HD2 LEU 38 -16.332 -24.877 -6.510 289 3HD2 LEU 38 2HD2 LEU 38 -14.826 -25.723 -6.152 290 H GLY 39 H GLY 39 -21.018 -26.757 -5.959 291 1HA GLY 39 1HA GLY 39 -22.265 -27.166 -8.510 292 2HA GLY 39 2HA GLY 39 -22.948 -27.641 -6.956 293 H SER 40 H SER 40 -20.094 -29.113 -6.797 294 HA SER 40 HA SER 40 -21.212 -31.676 -7.694 295 1HB SER 40 2HB SER 40 -19.170 -30.199 -9.219 296 2HB SER 40 1HB SER 40 -18.732 -31.869 -8.858 297 HG SER 40 HG SER 40 -20.935 -30.870 -10.291 298 H ILE 41 H ILE 41 -20.679 -30.957 -5.114 299 HA ILE 41 HA ILE 41 -18.281 -32.622 -4.507 300 HB ILE 41 HB ILE 41 -17.962 -30.063 -4.197 301 1HG1 ILE 41 2HG1 ILE 41 -16.602 -30.434 -2.214 302 2HG1 ILE 41 1HG1 ILE 41 -17.517 -31.888 -1.818 303 1HG2 ILE 41 3HG2 ILE 41 -20.288 -30.009 -2.983 304 2HG2 ILE 41 2HG2 ILE 41 -19.363 -30.543 -1.578 305 3HG2 ILE 41 1HG2 ILE 41 -18.970 -29.012 -2.364 306 1HD1 ILE 41 2HD1 ILE 41 -16.161 -31.637 -4.493 307 2HD1 ILE 41 1HD1 ILE 41 -15.237 -32.136 -3.075 308 3HD1 ILE 41 3HD1 ILE 41 -16.614 -33.098 -3.615 309 H THR 42 H THR 42 -18.402 -33.490 -2.215 310 HA THR 42 HA THR 42 -21.260 -33.961 -1.470 311 HB THR 42 HB THR 42 -20.836 -36.186 -1.301 312 HG1 THR 42 HG1 THR 42 -18.813 -36.880 -0.270 313 1HG2 THR 42 2HG2 THR 42 -19.617 -35.626 -3.412 314 2HG2 THR 42 1HG2 THR 42 -18.128 -35.500 -2.474 315 3HG2 THR 42 3HG2 THR 42 -18.967 -37.048 -2.597 316 HA PRO 43 HA PRO 43 -20.413 -32.374 2.573 317 1HB PRO 43 2HB PRO 43 -21.627 -34.153 4.213 318 2HB PRO 43 1HB PRO 43 -22.526 -32.999 3.224 319 1HG PRO 43 2HG PRO 43 -21.950 -35.895 2.711 320 2HG PRO 43 1HG PRO 43 -23.460 -35.007 2.487 321 1HD PRO 43 1HD PRO 43 -21.825 -35.577 0.416 322 2HD PRO 43 2HD PRO 43 -22.773 -34.090 0.472 323 H ASP 44 H ASP 44 -19.785 -35.815 2.069 324 HA ASP 44 HA ASP 44 -18.097 -36.215 4.336 325 1HB ASP 44 2HB ASP 44 -19.086 -37.804 2.304 326 2HB ASP 44 1HB ASP 44 -17.359 -37.755 1.949 327 H GLU 45 H GLU 45 -17.490 -34.714 1.215 328 HA GLU 45 HA GLU 45 -14.583 -34.875 1.519 329 1HB GLU 45 2HB GLU 45 -16.291 -33.219 -0.367 330 2HB GLU 45 1HB GLU 45 -14.545 -33.430 -0.485 331 1HG GLU 45 2HG GLU 45 -16.534 -35.717 -0.563 332 2HG GLU 45 1HG GLU 45 -15.857 -34.954 -2.001 333 H VAL 46 H VAL 46 -17.165 -32.517 1.996 334 HA VAL 46 HA VAL 46 -15.479 -30.296 2.644 335 HB VAL 46 HB VAL 46 -18.315 -30.970 3.465 336 1HG1 VAL 46 3HG1 VAL 46 -16.594 -29.100 4.667 337 2HG1 VAL 46 2HG1 VAL 46 -17.600 -28.159 3.567 338 3HG1 VAL 46 1HG1 VAL 46 -18.352 -29.160 4.810 339 1HG2 VAL 46 1HG2 VAL 46 -17.320 -30.300 1.015 340 2HG2 VAL 46 3HG2 VAL 46 -18.956 -29.912 1.549 341 3HG2 VAL 46 2HG2 VAL 46 -17.677 -28.704 1.675 342 H LYS 47 H LYS 47 -16.809 -32.952 4.534 343 HA LYS 47 HA LYS 47 -15.871 -31.924 7.087 344 1HB LYS 47 2HB LYS 47 -16.758 -34.677 6.178 345 2HB LYS 47 1HB LYS 47 -16.279 -34.320 7.838 346 1HG LYS 47 2HG LYS 47 -18.019 -32.526 7.905 347 2HG LYS 47 1HG LYS 47 -18.541 -33.015 6.293 348 1HD LYS 47 2HD LYS 47 -18.899 -35.344 7.220 349 2HD LYS 47 1HD LYS 47 -18.610 -34.675 8.827 350 1HE LYS 47 2HE LYS 47 -20.445 -32.967 8.271 351 2HE LYS 47 1HE LYS 47 -20.847 -34.010 6.906 352 1HZ LYS 47 3HZ LYS 47 -20.688 -35.776 8.911 353 2HZ LYS 47 2HZ LYS 47 -21.284 -34.415 9.735 354 3HZ LYS 47 1HZ LYS 47 -22.131 -35.042 8.402 355 H HIS 48 H HIS 48 -14.630 -34.119 4.618 356 HA HIS 48 HA HIS 48 -12.300 -34.954 6.097 357 1HB HIS 48 2HB HIS 48 -13.078 -36.226 4.152 358 2HB HIS 48 1HB HIS 48 -12.812 -34.831 3.107 359 HD1 HIS 48 HD1 HIS 48 -10.935 -35.831 1.689 360 HD2 HIS 48 HD2 HIS 48 -10.133 -35.984 5.777 361 HE1 HIS 48 HE1 HIS 48 -8.509 -36.523 1.917 362 H MET 49 H MET 49 -12.975 -32.284 3.848 363 HA MET 49 HA MET 49 -10.299 -31.330 3.608 364 1HB MET 49 2HB MET 49 -13.025 -30.127 3.298 365 2HB MET 49 1HB MET 49 -11.635 -29.047 3.364 366 1HG MET 49 2HG MET 49 -10.682 -30.874 1.623 367 2HG MET 49 1HG MET 49 -12.404 -31.021 1.276 368 1HE MET 49 3HE MET 49 -13.306 -30.010 -0.459 369 2HE MET 49 2HE MET 49 -12.715 -28.631 -1.381 370 3HE MET 49 1HE MET 49 -11.758 -30.109 -1.309 371 H MET 50 H MET 50 -12.893 -30.482 5.885 372 HA MET 50 HA MET 50 -11.405 -28.597 7.411 373 1HB MET 50 2HB MET 50 -13.778 -30.354 7.985 374 2HB MET 50 1HB MET 50 -13.057 -29.388 9.269 375 1HG MET 50 2HG MET 50 -13.249 -27.394 7.672 376 2HG MET 50 1HG MET 50 -14.283 -28.422 6.682 377 1HE MET 50 1HE MET 50 -13.666 -26.411 9.688 378 2HE MET 50 3HE MET 50 -15.064 -26.576 10.760 379 3HE MET 50 2HE MET 50 -13.869 -27.866 10.661 380 H ALA 51 H ALA 51 -11.863 -32.096 7.843 381 HA ALA 51 HA ALA 51 -10.312 -32.375 10.207 382 1HB ALA 51 3HB ALA 51 -11.350 -34.372 9.783 383 2HB ALA 51 1HB ALA 51 -9.841 -34.735 8.947 384 3HB ALA 51 2HB ALA 51 -11.241 -34.172 8.035 385 H GLU 52 H GLU 52 -9.384 -31.735 6.942 386 HA GLU 52 HA GLU 52 -6.561 -32.494 7.476 387 1HB GLU 52 2HB GLU 52 -8.116 -31.731 5.015 388 2HB GLU 52 1HB GLU 52 -6.356 -31.613 5.018 389 1HG GLU 52 2HG GLU 52 -6.403 -34.037 5.937 390 2HG GLU 52 1HG GLU 52 -8.075 -34.065 5.378 391 H ILE 53 H ILE 53 -8.604 -29.686 6.863 392 HA ILE 53 HA ILE 53 -6.360 -27.812 6.920 393 HB ILE 53 HB ILE 53 -9.351 -27.357 7.072 394 1HG1 ILE 53 2HG1 ILE 53 -7.444 -27.121 4.731 395 2HG1 ILE 53 1HG1 ILE 53 -8.535 -28.481 4.995 396 1HG2 ILE 53 2HG2 ILE 53 -7.837 -25.526 7.959 397 2HG2 ILE 53 1HG2 ILE 53 -7.167 -25.399 6.332 398 3HG2 ILE 53 3HG2 ILE 53 -8.875 -25.054 6.614 399 1HD1 ILE 53 1HD1 ILE 53 -10.363 -26.593 5.177 400 2HD1 ILE 53 3HD1 ILE 53 -9.187 -25.644 4.267 401 3HD1 ILE 53 2HD1 ILE 53 -9.823 -27.144 3.591 402 H ASP 54 H ASP 54 -8.764 -29.055 9.167 403 HA ASP 54 HA ASP 54 -8.463 -27.161 11.262 404 1HB ASP 54 2HB ASP 54 -10.123 -29.168 10.933 405 2HB ASP 54 1HB ASP 54 -8.886 -30.095 11.771 406 H THR 55 H THR 55 -6.339 -26.622 11.765 407 HA THR 55 HA THR 55 -4.182 -28.513 11.890 408 HB THR 55 HB THR 55 -2.955 -26.668 13.029 409 HG1 THR 55 HG1 THR 55 -4.009 -24.939 13.718 410 1HG2 THR 55 1HG2 THR 55 -4.635 -25.896 10.628 411 2HG2 THR 55 3HG2 THR 55 -3.199 -25.024 11.167 412 3HG2 THR 55 2HG2 THR 55 -3.058 -26.686 10.595 413 H ASP 56 H ASP 56 -6.150 -27.008 14.453 414 HA ASP 56 HA ASP 56 -4.828 -28.689 16.476 415 1HB ASP 56 2HB ASP 56 -5.952 -27.400 18.091 416 2HB ASP 56 1HB ASP 56 -5.666 -26.245 16.790 417 H GLY 57 H GLY 57 -7.948 -28.459 14.848 418 1HA GLY 57 1HA GLY 57 -8.512 -31.237 15.744 419 2HA GLY 57 2HA GLY 57 -9.254 -30.449 14.356 420 H ASP 58 H ASP 58 -9.770 -27.957 16.017 421 HA ASP 58 HA ASP 58 -11.592 -28.868 18.119 422 1HB ASP 58 2HB ASP 58 -12.065 -26.560 18.511 423 2HB ASP 58 1HB ASP 58 -10.350 -26.630 18.119 424 H GLY 59 H GLY 59 -11.778 -28.931 14.819 425 1HA GLY 59 1HA GLY 59 -14.742 -28.995 14.941 426 2HA GLY 59 2HA GLY 59 -13.755 -29.744 13.689 427 H PHE 60 H PHE 60 -12.530 -26.684 14.307 428 HA PHE 60 HA PHE 60 -14.009 -25.624 11.949 429 1HB PHE 60 2HB PHE 60 -13.329 -23.943 14.365 430 2HB PHE 60 1HB PHE 60 -14.323 -23.491 12.979 431 HD1 PHE 60 HD1 PHE 60 -14.152 -25.623 16.002 432 HD2 PHE 60 HD2 PHE 60 -16.609 -24.196 12.785 433 HE1 PHE 60 HE1 PHE 60 -16.161 -26.520 17.141 434 HE2 PHE 60 HE2 PHE 60 -18.618 -25.093 13.919 435 HZ PHE 60 HZ PHE 60 -18.398 -26.257 16.099 436 H ILE 61 H ILE 61 -12.908 -23.923 10.788 437 HA ILE 61 HA ILE 61 -9.956 -24.048 11.121 438 HB ILE 61 HB ILE 61 -11.502 -23.193 8.666 439 1HG1 ILE 61 2HG1 ILE 61 -12.087 -25.519 9.206 440 2HG1 ILE 61 1HG1 ILE 61 -11.035 -25.467 7.792 441 1HG2 ILE 61 3HG2 ILE 61 -9.095 -22.498 8.940 442 2HG2 ILE 61 2HG2 ILE 61 -8.664 -24.206 8.987 443 3HG2 ILE 61 1HG2 ILE 61 -9.388 -23.520 7.534 444 1HD1 ILE 61 3HD1 ILE 61 -9.082 -25.832 9.385 445 2HD1 ILE 61 2HD1 ILE 61 -10.276 -26.172 10.636 446 3HD1 ILE 61 1HD1 ILE 61 -10.178 -27.204 9.208 447 H SER 62 H SER 62 -8.956 -22.141 11.679 448 HA SER 62 HA SER 62 -10.633 -19.702 11.818 449 1HB SER 62 2HB SER 62 -7.845 -20.187 12.916 450 2HB SER 62 1HB SER 62 -8.893 -18.815 13.278 451 HG SER 62 HG SER 62 -8.964 -21.408 14.218 452 H PHE 63 H PHE 63 -9.363 -17.620 11.226 453 HA PHE 63 HA PHE 63 -8.676 -17.706 8.481 454 1HB PHE 63 2HB PHE 63 -9.285 -15.611 9.654 455 2HB PHE 63 1HB PHE 63 -7.762 -15.676 10.545 456 HD1 PHE 63 HD1 PHE 63 -8.772 -16.241 6.979 457 HD2 PHE 63 HD2 PHE 63 -6.184 -14.175 9.713 458 HE1 PHE 63 HE1 PHE 63 -7.615 -15.166 5.070 459 HE2 PHE 63 HE2 PHE 63 -5.020 -13.105 7.802 460 HZ PHE 63 HZ PHE 63 -5.742 -13.598 5.479 461 H GLN 64 H GLN 64 -6.608 -17.735 11.366 462 HA GLN 64 HA GLN 64 -4.104 -17.751 10.019 463 1HB GLN 64 2HB GLN 64 -4.489 -17.437 12.497 464 2HB GLN 64 1HB GLN 64 -4.770 -19.174 12.610 465 1HG GLN 64 2HG GLN 64 -2.445 -18.772 13.150 466 2HG GLN 64 1HG GLN 64 -2.501 -19.526 11.557 467 1HE2 GLN 64 1HE2 GLN 64 -1.067 -18.512 10.153 468 2HE2 GLN 64 2HE2 GLN 64 -0.728 -16.848 10.131 469 H GLU 65 H GLU 65 -6.119 -20.477 11.182 470 HA GLU 65 HA GLU 65 -4.455 -22.570 10.241 471 1HB GLU 65 2HB GLU 65 -7.421 -22.340 10.709 472 2HB GLU 65 1HB GLU 65 -6.715 -23.825 10.086 473 1HG GLU 65 2HG GLU 65 -5.213 -23.935 12.046 474 2HG GLU 65 1HG GLU 65 -5.928 -22.450 12.672 475 H PHE 66 H PHE 66 -7.145 -20.872 8.641 476 HA PHE 66 HA PHE 66 -7.011 -22.340 6.190 477 1HB PHE 66 2HB PHE 66 -8.922 -20.880 6.839 478 2HB PHE 66 1HB PHE 66 -7.892 -19.468 6.607 479 HD1 PHE 66 HD1 PHE 66 -7.024 -18.902 4.346 480 HD2 PHE 66 HD2 PHE 66 -9.825 -22.097 4.967 481 HE1 PHE 66 HE1 PHE 66 -7.534 -18.926 1.919 482 HE2 PHE 66 HE2 PHE 66 -10.336 -22.121 2.540 483 HZ PHE 66 HZ PHE 66 -9.190 -20.535 1.016 484 H THR 67 H THR 67 -5.295 -19.491 7.364 485 HA THR 67 HA THR 67 -4.061 -18.793 4.865 486 HB THR 67 HB THR 67 -3.206 -18.306 7.734 487 HG1 THR 67 HG1 THR 67 -4.610 -16.778 7.572 488 1HG2 THR 67 2HG2 THR 67 -2.121 -17.157 5.146 489 2HG2 THR 67 1HG2 THR 67 -1.706 -16.580 6.761 490 3HG2 THR 67 3HG2 THR 67 -1.252 -18.210 6.264 491 H ASP 68 H ASP 68 -2.910 -20.737 7.636 492 HA ASP 68 HA ASP 68 -0.388 -21.434 6.526 493 1HB ASP 68 2HB ASP 68 -2.173 -23.005 8.407 494 2HB ASP 68 1HB ASP 68 -0.481 -23.380 8.085 495 H PHE 69 H PHE 69 -3.595 -22.862 6.104 496 HA PHE 69 HA PHE 69 -2.594 -25.098 4.533 497 1HB PHE 69 2HB PHE 69 -4.597 -25.715 5.484 498 2HB PHE 69 1HB PHE 69 -5.230 -24.072 5.462 499 HD1 PHE 69 HD1 PHE 69 -5.846 -23.075 3.174 500 HD2 PHE 69 HD2 PHE 69 -5.295 -27.272 3.869 501 HE1 PHE 69 HE1 PHE 69 -7.144 -23.584 1.117 502 HE2 PHE 69 HE2 PHE 69 -6.587 -27.786 1.818 503 HZ PHE 69 HZ PHE 69 -7.514 -25.943 0.439 504 H GLY 70 H GLY 70 -3.996 -21.913 3.913 505 1HA GLY 70 1HA GLY 70 -4.012 -20.622 1.951 506 2HA GLY 70 2HA GLY 70 -4.396 -22.130 1.118 507 H ARG 71 H ARG 71 -1.469 -21.796 3.000 508 HA ARG 71 HA ARG 71 0.244 -21.017 0.797 509 1HB ARG 71 2HB ARG 71 0.912 -22.386 3.423 510 2HB ARG 71 1HB ARG 71 2.089 -21.674 2.320 511 1HG ARG 71 2HG ARG 71 0.943 -19.473 2.578 512 2HG ARG 71 1HG ARG 71 -0.147 -20.206 3.753 513 1HD ARG 71 2HD ARG 71 2.869 -19.981 3.998 514 2HD ARG 71 1HD ARG 71 1.675 -19.076 4.929 515 HE ARG 71 HE ARG 71 1.103 -21.803 5.347 516 1HH1 ARG 71 1HH1 ARG 71 2.657 -19.228 6.762 517 2HH1 ARG 71 2HH1 ARG 71 3.716 -20.167 7.761 518 1HH2 ARG 71 1HH2 ARG 71 2.909 -23.180 6.244 519 2HH2 ARG 71 2HH2 ARG 71 3.858 -22.404 7.468 520 H ALA 72 H ALA 72 -1.018 -24.026 2.025 521 HA ALA 72 HA ALA 72 0.861 -25.752 0.643 522 1HB ALA 72 1HB ALA 72 -0.156 -27.264 1.967 523 2HB ALA 72 2HB ALA 72 -1.642 -27.069 1.038 524 3HB ALA 72 3HB ALA 72 -1.344 -26.050 2.447 525 H ASN 73 H ASN 73 -2.042 -24.050 -0.238 526 HA ASN 73 HA ASN 73 -1.746 -25.072 -3.008 527 1HB ASN 73 2HB ASN 73 -4.504 -24.875 -1.824 528 2HB ASN 73 1HB ASN 73 -3.962 -25.801 -3.224 529 1HD2 ASN 73 1HD2 ASN 73 -4.593 -25.982 0.155 530 2HD2 ASN 73 2HD2 ASN 73 -3.920 -27.515 0.427 531 H ARG 74 H ARG 74 -0.839 -22.675 -2.539 532 HA ARG 74 HA ARG 74 -2.549 -20.462 -2.267 533 1HB ARG 74 2HB ARG 74 -0.159 -20.639 -4.127 534 2HB ARG 74 1HB ARG 74 -0.844 -19.169 -3.434 535 1HG ARG 74 2HG ARG 74 -0.311 -20.006 -1.164 536 2HG ARG 74 1HG ARG 74 0.404 -21.452 -1.874 537 1HD ARG 74 2HD ARG 74 2.026 -20.024 -3.098 538 2HD ARG 74 1HD ARG 74 1.332 -18.599 -2.324 539 HE ARG 74 HE ARG 74 2.016 -20.275 -0.211 540 1HH1 ARG 74 1HH1 ARG 74 3.615 -18.961 -2.975 541 2HH1 ARG 74 2HH1 ARG 74 5.148 -18.823 -2.183 542 1HH2 ARG 74 1HH2 ARG 74 4.002 -20.063 0.843 543 2HH2 ARG 74 2HH2 ARG 74 5.368 -19.446 -0.025 544 H GLY 75 H GLY 75 -2.244 -22.703 -4.877 545 1HA GLY 75 1HA GLY 75 -3.164 -22.715 -7.042 546 2HA GLY 75 2HA GLY 75 -3.445 -20.979 -6.899 547 H LEU 76 H LEU 76 -4.578 -23.181 -4.440 548 HA LEU 76 HA LEU 76 -7.237 -23.534 -5.541 549 1HB LEU 76 2HB LEU 76 -6.064 -23.957 -2.787 550 2HB LEU 76 1HB LEU 76 -7.761 -24.270 -3.150 551 HG LEU 76 HG LEU 76 -5.443 -25.507 -4.664 552 1HD1 LEU 76 1HD1 LEU 76 -6.181 -26.097 -2.076 553 2HD1 LEU 76 3HD1 LEU 76 -7.159 -27.231 -3.008 554 3HD1 LEU 76 2HD1 LEU 76 -5.405 -27.229 -3.183 555 1HD2 LEU 76 2HD2 LEU 76 -8.377 -25.476 -4.954 556 2HD2 LEU 76 1HD2 LEU 76 -7.133 -25.849 -6.147 557 3HD2 LEU 76 3HD2 LEU 76 -7.663 -27.087 -5.006 558 H LEU 77 H LEU 77 -5.863 -21.410 -3.036 559 HA LEU 77 HA LEU 77 -8.319 -20.109 -2.378 560 1HB LEU 77 2HB LEU 77 -5.580 -18.835 -2.248 561 2HB LEU 77 1HB LEU 77 -6.981 -18.483 -1.241 562 HG LEU 77 HG LEU 77 -5.869 -19.854 0.219 563 1HD1 LEU 77 3HD1 LEU 77 -7.990 -21.075 -0.810 564 2HD1 LEU 77 2HD1 LEU 77 -6.769 -22.225 -1.356 565 3HD1 LEU 77 1HD1 LEU 77 -6.953 -21.884 0.364 566 1HD2 LEU 77 2HD2 LEU 77 -4.414 -20.591 -2.188 567 2HD2 LEU 77 1HD2 LEU 77 -3.851 -20.511 -0.519 568 3HD2 LEU 77 3HD2 LEU 77 -4.650 -21.967 -1.110 569 H LYS 78 H LYS 78 -5.771 -19.299 -4.726 570 HA LYS 78 HA LYS 78 -6.958 -16.835 -5.588 571 1HB LYS 78 2HB LYS 78 -5.103 -18.762 -7.016 572 2HB LYS 78 1HB LYS 78 -5.535 -17.168 -7.636 573 1HG LYS 78 2HG LYS 78 -4.700 -16.215 -5.430 574 2HG LYS 78 1HG LYS 78 -4.047 -17.814 -5.079 575 1HD LYS 78 2HD LYS 78 -3.372 -16.150 -7.526 576 2HD LYS 78 1HD LYS 78 -2.340 -16.337 -6.108 577 1HE LYS 78 2HE LYS 78 -1.554 -18.304 -6.873 578 2HE LYS 78 1HE LYS 78 -3.192 -18.930 -7.065 579 1HZ LYS 78 1HZ LYS 78 -3.293 -17.614 -9.171 580 2HZ LYS 78 3HZ LYS 78 -1.630 -17.326 -9.007 581 3HZ LYS 78 2HZ LYS 78 -2.200 -18.915 -9.193 582 H ASP 79 H ASP 79 -7.427 -20.195 -6.543 583 HA ASP 79 HA ASP 79 -9.120 -19.511 -8.821 584 1HB ASP 79 2HB ASP 79 -8.272 -22.025 -7.437 585 2HB ASP 79 1HB ASP 79 -9.690 -22.075 -8.483 586 H VAL 80 H VAL 80 -9.647 -20.804 -5.551 587 HA VAL 80 HA VAL 80 -12.502 -20.942 -5.745 588 HB VAL 80 HB VAL 80 -10.889 -21.934 -3.955 589 1HG1 VAL 80 3HG1 VAL 80 -9.917 -19.758 -3.281 590 2HG1 VAL 80 2HG1 VAL 80 -11.505 -19.237 -2.718 591 3HG1 VAL 80 1HG1 VAL 80 -10.683 -20.578 -1.920 592 1HG2 VAL 80 1HG2 VAL 80 -13.631 -20.787 -3.537 593 2HG2 VAL 80 3HG2 VAL 80 -13.142 -22.476 -3.670 594 3HG2 VAL 80 2HG2 VAL 80 -12.809 -21.575 -2.191 595 H ALA 81 H ALA 81 -10.308 -18.437 -4.558 596 HA ALA 81 HA ALA 81 -12.149 -16.568 -3.577 597 1HB ALA 81 1HB ALA 81 -9.643 -16.327 -3.558 598 2HB ALA 81 3HB ALA 81 -9.727 -15.878 -5.262 599 3HB ALA 81 2HB ALA 81 -10.495 -14.861 -4.042 600 H LYS 82 H LYS 82 -11.259 -17.233 -6.939 601 HA LYS 82 HA LYS 82 -12.793 -15.049 -8.047 602 1HB LYS 82 2HB LYS 82 -11.877 -17.647 -9.320 603 2HB LYS 82 1HB LYS 82 -12.514 -16.255 -10.196 604 1HG LYS 82 2HG LYS 82 -10.666 -14.869 -9.197 605 2HG LYS 82 1HG LYS 82 -9.990 -16.350 -8.519 606 1HD LYS 82 2HD LYS 82 -9.766 -17.301 -10.773 607 2HD LYS 82 1HD LYS 82 -10.498 -15.856 -11.469 608 1HE LYS 82 2HE LYS 82 -8.131 -15.573 -11.698 609 2HE LYS 82 1HE LYS 82 -8.617 -14.532 -10.361 610 1HZ LYS 82 2HZ LYS 82 -7.903 -17.268 -9.681 611 2HZ LYS 82 1HZ LYS 82 -6.628 -16.267 -10.190 612 3HZ LYS 82 3HZ LYS 82 -7.574 -15.821 -8.855 613 H ILE 83 H ILE 83 -13.561 -18.292 -6.999 614 HA ILE 83 HA ILE 83 -16.007 -18.648 -8.439 615 HB ILE 83 HB ILE 83 -15.064 -19.693 -5.758 616 1HG1 ILE 83 2HG1 ILE 83 -15.315 -20.912 -8.521 617 2HG1 ILE 83 1HG1 ILE 83 -13.813 -20.510 -7.689 618 1HG2 ILE 83 1HG2 ILE 83 -17.690 -19.880 -7.113 619 2HG2 ILE 83 3HG2 ILE 83 -17.025 -21.411 -6.545 620 3HG2 ILE 83 2HG2 ILE 83 -17.286 -20.087 -5.410 621 1HD1 ILE 83 2HD1 ILE 83 -15.301 -22.116 -5.897 622 2HD1 ILE 83 1HD1 ILE 83 -15.411 -22.903 -7.472 623 3HD1 ILE 83 3HD1 ILE 83 -13.832 -22.563 -6.765 624 H PHE 84 H PHE 84 -15.195 -16.869 -5.528 625 HA PHE 84 HA PHE 84 -18.068 -16.119 -5.213 626 1HB PHE 84 2HB PHE 84 -15.768 -15.809 -3.259 627 2HB PHE 84 1HB PHE 84 -17.458 -15.421 -2.936 628 HD1 PHE 84 HD1 PHE 84 -15.380 -18.269 -4.231 629 HD2 PHE 84 HD2 PHE 84 -18.767 -17.043 -1.891 630 HE1 PHE 84 HE1 PHE 84 -15.798 -20.631 -3.599 631 HE2 PHE 84 HE2 PHE 84 -19.185 -19.404 -1.259 632 HZ PHE 84 HZ PHE 84 -17.700 -21.198 -2.113 No H/Q in entry = 632 Start of MODEL 19 1 H1 ALA 1 1H ALA 1 7.063 -12.603 4.378 2 H2 ALA 1 3H ALA 1 5.735 -13.650 4.503 3 H3 ALA 1 2H ALA 1 6.854 -13.546 5.777 4 HA ALA 1 HA ALA 1 8.513 -14.655 4.597 5 1HB ALA 1 3HB ALA 1 5.933 -15.974 3.709 6 2HB ALA 1 1HB ALA 1 6.545 -16.060 5.361 7 3HB ALA 1 2HB ALA 1 7.478 -16.757 4.037 8 H ASP 2 H ASP 2 8.152 -16.241 2.256 9 HA ASP 2 HA ASP 2 9.070 -14.521 0.226 10 1HB ASP 2 2HB ASP 2 7.556 -17.130 -0.105 11 2HB ASP 2 1HB ASP 2 8.546 -16.356 -1.342 12 H ASP 3 H ASP 3 5.803 -15.217 1.253 13 HA ASP 3 HA ASP 3 4.584 -14.060 -1.149 14 1HB ASP 3 2HB ASP 3 2.463 -14.342 0.092 15 2HB ASP 3 1HB ASP 3 3.416 -15.826 0.117 16 H HIS 4 H HIS 4 3.109 -12.133 -0.931 17 HA HIS 4 HA HIS 4 4.406 -10.093 0.819 18 1HB HIS 4 2HB HIS 4 2.517 -8.974 -1.063 19 2HB HIS 4 1HB HIS 4 4.247 -8.681 -0.932 20 HD1 HIS 4 HD1 HIS 4 1.788 -10.121 -3.148 21 HD2 HIS 4 HD2 HIS 4 5.797 -10.893 -2.301 22 HE1 HIS 4 HE1 HIS 4 2.675 -11.496 -5.080 23 HA PRO 5 HA PRO 5 0.746 -9.358 3.209 24 1HB PRO 5 2HB PRO 5 0.282 -6.701 3.020 25 2HB PRO 5 1HB PRO 5 1.622 -7.377 3.953 26 1HG PRO 5 2HG PRO 5 1.629 -6.206 1.195 27 2HG PRO 5 1HG PRO 5 2.784 -5.958 2.508 28 1HD PRO 5 1HD PRO 5 3.288 -7.647 0.465 29 2HD PRO 5 2HD PRO 5 3.872 -7.962 2.099 30 H GLN 6 H GLN 6 0.699 -8.254 -0.105 31 HA GLN 6 HA GLN 6 -2.062 -7.560 -0.315 32 1HB GLN 6 2HB GLN 6 0.122 -8.298 -2.190 33 2HB GLN 6 1HB GLN 6 -1.522 -8.525 -2.788 34 1HG GLN 6 2HG GLN 6 -2.057 -6.242 -2.545 35 2HG GLN 6 1HG GLN 6 -0.720 -5.954 -1.432 36 1HE2 GLN 6 1HE2 GLN 6 1.478 -6.972 -2.753 37 2HE2 GLN 6 2HE2 GLN 6 1.695 -6.200 -4.248 38 H ASP 7 H ASP 7 -0.363 -10.651 -0.556 39 HA ASP 7 HA ASP 7 -2.493 -12.244 -1.529 40 1HB ASP 7 2HB ASP 7 -0.244 -12.924 0.383 41 2HB ASP 7 1HB ASP 7 -1.333 -14.127 -0.308 42 H LYS 8 H LYS 8 -1.536 -11.724 1.870 43 HA LYS 8 HA LYS 8 -3.527 -13.102 3.194 44 1HB LYS 8 2HB LYS 8 -2.196 -10.473 3.775 45 2HB LYS 8 1HB LYS 8 -3.484 -11.052 4.833 46 1HG LYS 8 2HG LYS 8 -2.200 -13.259 4.950 47 2HG LYS 8 1HG LYS 8 -0.855 -12.405 4.195 48 1HD LYS 8 2HD LYS 8 -0.890 -10.746 6.035 49 2HD LYS 8 1HD LYS 8 -2.212 -11.630 6.796 50 1HE LYS 8 2HE LYS 8 -0.763 -13.071 7.738 51 2HE LYS 8 1HE LYS 8 -0.063 -13.449 6.164 52 1HZ LYS 8 3HZ LYS 8 0.642 -11.094 7.829 53 2HZ LYS 8 2HZ LYS 8 1.572 -12.510 7.691 54 3HZ LYS 8 1HZ LYS 8 1.338 -11.506 6.340 55 H ALA 9 H ALA 9 -3.857 -10.008 1.528 56 HA ALA 9 HA ALA 9 -6.479 -9.361 2.442 57 1HB ALA 9 1HB ALA 9 -5.585 -8.759 -0.368 58 2HB ALA 9 3HB ALA 9 -6.529 -7.754 0.730 59 3HB ALA 9 2HB ALA 9 -4.799 -7.964 0.996 60 H GLU 10 H GLU 10 -5.392 -11.214 -0.385 61 HA GLU 10 HA GLU 10 -8.078 -11.837 -1.267 62 1HB GLU 10 2HB GLU 10 -5.545 -13.403 -1.837 63 2HB GLU 10 1HB GLU 10 -7.022 -13.379 -2.801 64 1HG GLU 10 2HG GLU 10 -6.669 -10.935 -3.197 65 2HG GLU 10 1HG GLU 10 -5.135 -11.050 -2.334 66 H ARG 11 H ARG 11 -5.734 -13.378 0.863 67 HA ARG 11 HA ARG 11 -7.224 -15.842 1.161 68 1HB ARG 11 2HB ARG 11 -5.044 -14.536 2.802 69 2HB ARG 11 1HB ARG 11 -5.750 -16.095 3.223 70 1HG ARG 11 2HG ARG 11 -5.180 -16.839 0.850 71 2HG ARG 11 1HG ARG 11 -4.225 -15.367 0.713 72 1HD ARG 11 2HD ARG 11 -3.855 -17.383 2.942 73 2HD ARG 11 1HD ARG 11 -2.923 -17.417 1.444 74 HE ARG 11 HE ARG 11 -2.788 -14.798 2.573 75 1HH1 ARG 11 1HH1 ARG 11 -1.836 -18.050 3.219 76 2HH1 ARG 11 2HH1 ARG 11 -0.343 -17.603 3.974 77 1HH2 ARG 11 1HH2 ARG 11 -0.803 -14.201 3.484 78 2HH2 ARG 11 2HH2 ARG 11 0.241 -15.426 4.125 79 H GLU 12 H GLU 12 -7.039 -12.817 2.999 80 HA GLU 12 HA GLU 12 -8.780 -13.698 5.112 81 1HB GLU 12 2HB GLU 12 -8.871 -11.353 5.742 82 2HB GLU 12 1HB GLU 12 -7.219 -11.748 5.287 83 1HG GLU 12 2HG GLU 12 -7.544 -10.767 3.087 84 2HG GLU 12 1HG GLU 12 -9.254 -10.493 3.422 85 H ARG 13 H ARG 13 -9.298 -12.029 2.030 86 HA ARG 13 HA ARG 13 -12.091 -11.505 2.454 87 1HB ARG 13 2HB ARG 13 -10.339 -11.694 0.009 88 2HB ARG 13 1HB ARG 13 -12.083 -11.484 -0.148 89 1HG ARG 13 2HG ARG 13 -12.048 -9.359 0.768 90 2HG ARG 13 1HG ARG 13 -10.618 -9.690 1.745 91 1HD ARG 13 2HD ARG 13 -9.441 -8.578 0.167 92 2HD ARG 13 1HD ARG 13 -9.714 -9.973 -0.876 93 HE ARG 13 HE ARG 13 -11.778 -7.838 -0.834 94 1HH1 ARG 13 1HH1 ARG 13 -9.215 -7.078 -2.280 95 2HH1 ARG 13 2HH1 ARG 13 -9.583 -7.564 -3.902 96 1HH2 ARG 13 1HH2 ARG 13 -12.275 -9.544 -2.980 97 2HH2 ARG 13 2HH2 ARG 13 -11.316 -8.959 -4.298 98 H ILE 14 H ILE 14 -10.336 -14.210 0.960 99 HA ILE 14 HA ILE 14 -12.729 -15.639 0.194 100 HB ILE 14 HB ILE 14 -9.951 -16.730 0.739 101 1HG1 ILE 14 2HG1 ILE 14 -11.042 -16.058 -1.976 102 2HG1 ILE 14 1HG1 ILE 14 -10.322 -14.787 -0.992 103 1HG2 ILE 14 2HG2 ILE 14 -12.362 -18.044 0.203 104 2HG2 ILE 14 1HG2 ILE 14 -11.540 -17.981 -1.355 105 3HG2 ILE 14 3HG2 ILE 14 -10.743 -18.722 0.033 106 1HD1 ILE 14 3HD1 ILE 14 -8.571 -16.997 -0.811 107 2HD1 ILE 14 2HD1 ILE 14 -9.006 -16.861 -2.514 108 3HD1 ILE 14 1HD1 ILE 14 -8.292 -15.485 -1.673 109 H PHE 15 H PHE 15 -10.499 -15.880 2.971 110 HA PHE 15 HA PHE 15 -11.916 -18.007 4.266 111 1HB PHE 15 2HB PHE 15 -9.605 -17.357 4.883 112 2HB PHE 15 1HB PHE 15 -10.213 -15.824 5.517 113 HD1 PHE 15 HD1 PHE 15 -11.613 -15.774 7.552 114 HD2 PHE 15 HD2 PHE 15 -10.015 -19.458 6.030 115 HE1 PHE 15 HE1 PHE 15 -12.167 -16.901 9.693 116 HE2 PHE 15 HE2 PHE 15 -10.565 -20.584 8.170 117 HZ PHE 15 HZ PHE 15 -11.646 -19.309 10.002 118 H LYS 16 H LYS 16 -12.268 -14.497 4.316 119 HA LYS 16 HA LYS 16 -14.125 -14.381 6.502 120 1HB LYS 16 2HB LYS 16 -13.441 -12.559 4.212 121 2HB LYS 16 1HB LYS 16 -14.838 -12.200 5.226 122 1HG LYS 16 2HG LYS 16 -13.311 -12.416 7.236 123 2HG LYS 16 1HG LYS 16 -11.956 -12.501 6.111 124 1HD LYS 16 2HD LYS 16 -12.770 -10.309 5.128 125 2HD LYS 16 1HD LYS 16 -13.901 -10.208 6.477 126 1HE LYS 16 2HE LYS 16 -11.732 -10.649 7.922 127 2HE LYS 16 1HE LYS 16 -10.906 -10.028 6.493 128 1HZ LYS 16 1HZ LYS 16 -13.216 -8.533 7.463 129 2HZ LYS 16 3HZ LYS 16 -11.802 -8.451 8.393 130 3HZ LYS 16 2HZ LYS 16 -11.774 -7.972 6.764 131 H ARG 17 H ARG 17 -14.490 -15.044 3.065 132 HA ARG 17 HA ARG 17 -17.371 -14.798 3.026 133 1HB ARG 17 2HB ARG 17 -15.410 -16.238 1.221 134 2HB ARG 17 1HB ARG 17 -17.145 -16.184 0.908 135 1HG ARG 17 2HG ARG 17 -16.991 -13.661 1.023 136 2HG ARG 17 1HG ARG 17 -15.238 -13.835 1.076 137 1HD ARG 17 2HD ARG 17 -15.598 -15.330 -1.053 138 2HD ARG 17 1HD ARG 17 -17.137 -14.475 -1.163 139 HE ARG 17 HE ARG 17 -15.320 -12.430 -0.859 140 1HH1 ARG 17 1HH1 ARG 17 -13.354 -14.387 -2.096 141 2HH1 ARG 17 2HH1 ARG 17 -13.500 -14.001 -3.778 142 1HH2 ARG 17 1HH2 ARG 17 -16.473 -12.260 -3.391 143 2HH2 ARG 17 2HH2 ARG 17 -15.266 -12.797 -4.511 144 H PHE 18 H PHE 18 -15.103 -17.430 3.654 145 HA PHE 18 HA PHE 18 -17.051 -19.539 3.704 146 1HB PHE 18 2HB PHE 18 -14.298 -19.211 4.888 147 2HB PHE 18 1HB PHE 18 -15.262 -20.652 5.211 148 HD1 PHE 18 HD1 PHE 18 -16.251 -21.892 3.148 149 HD2 PHE 18 HD2 PHE 18 -13.035 -19.054 2.919 150 HE1 PHE 18 HE1 PHE 18 -15.585 -22.824 0.947 151 HE2 PHE 18 HE2 PHE 18 -12.369 -19.986 0.719 152 HZ PHE 18 HZ PHE 18 -13.645 -21.871 -0.266 153 H ASP 19 H ASP 19 -15.641 -17.544 6.299 154 HA ASP 19 HA ASP 19 -17.106 -18.726 8.438 155 1HB ASP 19 2HB ASP 19 -15.163 -16.962 8.479 156 2HB ASP 19 1HB ASP 19 -16.474 -15.782 8.408 157 H ALA 20 H ALA 20 -19.308 -18.995 8.162 158 HA ALA 20 HA ALA 20 -20.984 -17.163 6.745 159 1HB ALA 20 1HB ALA 20 -21.431 -19.621 7.249 160 2HB ALA 20 3HB ALA 20 -21.906 -19.104 8.868 161 3HB ALA 20 2HB ALA 20 -22.801 -18.530 7.461 162 H ASN 21 H ASN 21 -20.666 -17.701 10.300 163 HA ASN 21 HA ASN 21 -22.317 -15.301 10.735 164 1HB ASN 21 2HB ASN 21 -22.209 -15.845 13.093 165 2HB ASN 21 1HB ASN 21 -22.559 -17.316 12.193 166 1HD2 ASN 21 1HD2 ASN 21 -21.270 -17.017 14.858 167 2HD2 ASN 21 2HD2 ASN 21 -19.763 -17.781 14.731 168 H GLY 22 H GLY 22 -18.947 -16.207 10.782 169 1HA GLY 22 1HA GLY 22 -18.259 -13.345 11.044 170 2HA GLY 22 2HA GLY 22 -17.155 -14.626 10.557 171 H ASP 23 H ASP 23 -17.653 -16.397 12.758 172 HA ASP 23 HA ASP 23 -16.920 -14.773 15.133 173 1HB ASP 23 2HB ASP 23 -17.193 -16.858 16.420 174 2HB ASP 23 1HB ASP 23 -18.635 -16.504 15.473 175 H GLY 24 H GLY 24 -15.293 -15.919 12.595 176 1HA GLY 24 1HA GLY 24 -12.804 -16.167 14.170 177 2HA GLY 24 2HA GLY 24 -12.901 -15.913 12.429 178 H LYS 25 H LYS 25 -15.047 -18.358 13.368 179 HA LYS 25 HA LYS 25 -13.034 -20.410 12.565 180 1HB LYS 25 2HB LYS 25 -13.992 -21.977 14.153 181 2HB LYS 25 1HB LYS 25 -13.567 -20.501 15.018 182 1HG LYS 25 2HG LYS 25 -15.819 -19.799 15.154 183 2HG LYS 25 1HG LYS 25 -16.334 -20.918 13.892 184 1HD LYS 25 2HD LYS 25 -15.426 -22.746 15.575 185 2HD LYS 25 1HD LYS 25 -15.690 -21.472 16.769 186 1HE LYS 25 2HE LYS 25 -18.027 -21.260 15.515 187 2HE LYS 25 1HE LYS 25 -17.684 -22.936 15.084 188 1HZ LYS 25 1HZ LYS 25 -17.619 -21.868 17.852 189 2HZ LYS 25 3HZ LYS 25 -18.934 -22.699 17.177 190 3HZ LYS 25 2HZ LYS 25 -17.445 -23.492 17.384 191 H ILE 26 H ILE 26 -13.748 -21.949 11.122 192 HA ILE 26 HA ILE 26 -16.532 -21.581 10.089 193 HB ILE 26 HB ILE 26 -14.272 -22.844 8.545 194 1HG1 ILE 26 2HG1 ILE 26 -14.958 -19.900 8.783 195 2HG1 ILE 26 1HG1 ILE 26 -13.431 -20.665 9.222 196 1HG2 ILE 26 2HG2 ILE 26 -16.883 -21.471 7.856 197 2HG2 ILE 26 1HG2 ILE 26 -15.667 -21.888 6.649 198 3HG2 ILE 26 3HG2 ILE 26 -16.455 -23.160 7.584 199 1HD1 ILE 26 3HD1 ILE 26 -14.127 -21.360 6.510 200 2HD1 ILE 26 2HD1 ILE 26 -14.157 -19.607 6.701 201 3HD1 ILE 26 1HD1 ILE 26 -12.697 -20.513 7.099 202 H SER 27 H SER 27 -17.859 -23.336 10.134 203 HA SER 27 HA SER 27 -16.710 -25.902 11.116 204 1HB SER 27 2HB SER 27 -18.787 -26.365 12.084 205 2HB SER 27 1HB SER 27 -18.713 -24.610 12.245 206 HG SER 27 HG SER 27 -20.303 -24.432 10.902 207 H ALA 28 H ALA 28 -17.794 -27.897 10.132 208 HA ALA 28 HA ALA 28 -17.431 -28.000 7.359 209 1HB ALA 28 2HB ALA 28 -18.914 -29.682 9.327 210 2HB ALA 28 3HB ALA 28 -17.621 -30.135 8.216 211 3HB ALA 28 1HB ALA 28 -19.270 -29.942 7.620 212 H ALA 29 H ALA 29 -20.436 -27.392 9.157 213 HA ALA 29 HA ALA 29 -22.160 -27.191 6.917 214 1HB ALA 29 3HB ALA 29 -23.221 -27.240 9.029 215 2HB ALA 29 2HB ALA 29 -22.204 -25.946 9.662 216 3HB ALA 29 1HB ALA 29 -23.458 -25.581 8.477 217 H GLU 30 H GLU 30 -20.067 -24.771 8.452 218 HA GLU 30 HA GLU 30 -20.967 -22.628 6.715 219 1HB GLU 30 2HB GLU 30 -18.495 -22.897 8.449 220 2HB GLU 30 1HB GLU 30 -18.961 -21.420 7.608 221 1HG GLU 30 2HG GLU 30 -21.130 -21.440 8.830 222 2HG GLU 30 1HG GLU 30 -20.597 -22.867 9.714 223 H LEU 31 H LEU 31 -17.918 -24.502 6.869 224 HA LEU 31 HA LEU 31 -16.868 -23.461 4.425 225 1HB LEU 31 2HB LEU 31 -15.421 -24.650 5.980 226 2HB LEU 31 1HB LEU 31 -16.385 -26.116 5.813 227 HG LEU 31 HG LEU 31 -15.827 -26.089 3.344 228 1HD1 LEU 31 1HD1 LEU 31 -14.376 -23.670 4.281 229 2HD1 LEU 31 3HD1 LEU 31 -13.513 -24.701 3.140 230 3HD1 LEU 31 2HD1 LEU 31 -15.079 -24.020 2.701 231 1HD2 LEU 31 2HD2 LEU 31 -14.591 -27.396 5.191 232 2HD2 LEU 31 1HD2 LEU 31 -13.742 -27.177 3.660 233 3HD2 LEU 31 3HD2 LEU 31 -13.335 -26.168 5.049 234 H GLY 32 H GLY 32 -18.817 -26.351 5.121 235 1HA GLY 32 1HA GLY 32 -20.087 -27.705 3.687 236 2HA GLY 32 2HA GLY 32 -18.885 -27.350 2.448 237 H GLU 33 H GLU 33 -21.043 -25.124 4.197 238 HA GLU 33 HA GLU 33 -22.974 -24.775 2.164 239 1HB GLU 33 2HB GLU 33 -22.039 -23.211 4.504 240 2HB GLU 33 1HB GLU 33 -22.887 -22.293 3.260 241 1HG GLU 33 2HG GLU 33 -24.694 -24.091 3.345 242 2HG GLU 33 1HG GLU 33 -23.897 -24.696 4.797 243 H ALA 34 H ALA 34 -19.894 -23.065 2.676 244 HA ALA 34 HA ALA 34 -20.253 -21.374 0.344 245 1HB ALA 34 1HB ALA 34 -18.583 -20.326 1.457 246 2HB ALA 34 3HB ALA 34 -18.257 -21.758 2.432 247 3HB ALA 34 2HB ALA 34 -17.502 -21.579 0.849 248 H LEU 35 H LEU 35 -18.611 -24.423 1.045 249 HA LEU 35 HA LEU 35 -17.300 -24.761 -1.449 250 1HB LEU 35 2HB LEU 35 -18.206 -26.561 0.746 251 2HB LEU 35 1HB LEU 35 -17.825 -27.313 -0.802 252 HG LEU 35 HG LEU 35 -15.939 -25.327 0.460 253 1HD1 LEU 35 2HD1 LEU 35 -16.514 -27.252 2.043 254 2HD1 LEU 35 1HD1 LEU 35 -15.788 -28.324 0.846 255 3HD1 LEU 35 3HD1 LEU 35 -14.809 -27.081 1.626 256 1HD2 LEU 35 1HD2 LEU 35 -15.702 -26.040 -1.941 257 2HD2 LEU 35 3HD2 LEU 35 -14.307 -26.446 -0.942 258 3HD2 LEU 35 2HD2 LEU 35 -15.473 -27.695 -1.375 259 H LYS 36 H LYS 36 -20.654 -25.338 -0.483 260 HA LYS 36 HA LYS 36 -21.586 -26.966 -2.532 261 1HB LYS 36 2HB LYS 36 -22.729 -25.074 -0.710 262 2HB LYS 36 1HB LYS 36 -23.449 -24.820 -2.300 263 1HG LYS 36 2HG LYS 36 -24.028 -27.192 -2.452 264 2HG LYS 36 1HG LYS 36 -23.226 -27.510 -0.914 265 1HD LYS 36 2HD LYS 36 -25.101 -25.345 -0.589 266 2HD LYS 36 1HD LYS 36 -25.919 -26.724 -1.324 267 1HE LYS 36 2HE LYS 36 -24.217 -27.755 0.705 268 2HE LYS 36 1HE LYS 36 -25.081 -26.388 1.405 269 1HZ LYS 36 2HZ LYS 36 -27.096 -27.490 0.204 270 2HZ LYS 36 1HZ LYS 36 -26.143 -28.892 0.307 271 3HZ LYS 36 3HZ LYS 36 -26.582 -28.061 1.720 272 H THR 37 H THR 37 -20.363 -23.714 -2.790 273 HA THR 37 HA THR 37 -21.527 -22.841 -5.194 274 HB THR 37 HB THR 37 -19.871 -21.585 -3.711 275 HG1 THR 37 HG1 THR 37 -20.250 -20.480 -5.482 276 1HG2 THR 37 1HG2 THR 37 -18.217 -23.609 -3.973 277 2HG2 THR 37 3HG2 THR 37 -17.739 -22.779 -5.454 278 3HG2 THR 37 2HG2 THR 37 -17.579 -21.966 -3.897 279 H LEU 38 H LEU 38 -19.255 -25.404 -4.630 280 HA LEU 38 HA LEU 38 -18.138 -25.616 -7.253 281 1HB LEU 38 2HB LEU 38 -18.664 -27.709 -5.126 282 2HB LEU 38 1HB LEU 38 -17.770 -28.034 -6.612 283 HG LEU 38 HG LEU 38 -17.042 -26.073 -4.421 284 1HD1 LEU 38 2HD1 LEU 38 -15.797 -28.591 -5.545 285 2HD1 LEU 38 1HD1 LEU 38 -14.905 -27.465 -4.522 286 3HD1 LEU 38 3HD1 LEU 38 -16.327 -28.295 -3.890 287 1HD2 LEU 38 1HD2 LEU 38 -15.945 -26.427 -7.218 288 2HD2 LEU 38 3HD2 LEU 38 -16.533 -24.943 -6.465 289 3HD2 LEU 38 2HD2 LEU 38 -15.016 -25.665 -5.928 290 H GLY 39 H GLY 39 -21.191 -26.685 -5.877 291 1HA GLY 39 1HA GLY 39 -22.392 -26.969 -8.481 292 2HA GLY 39 2HA GLY 39 -23.135 -27.446 -6.954 293 H SER 40 H SER 40 -20.291 -28.984 -6.806 294 HA SER 40 HA SER 40 -21.471 -31.519 -7.715 295 1HB SER 40 2HB SER 40 -19.434 -30.062 -9.252 296 2HB SER 40 1HB SER 40 -18.975 -31.723 -8.874 297 HG SER 40 HG SER 40 -21.035 -30.750 -10.458 298 H ILE 41 H ILE 41 -21.000 -30.986 -5.135 299 HA ILE 41 HA ILE 41 -18.607 -32.651 -4.553 300 HB ILE 41 HB ILE 41 -18.217 -30.082 -4.272 301 1HG1 ILE 41 2HG1 ILE 41 -17.675 -31.789 -1.839 302 2HG1 ILE 41 1HG1 ILE 41 -16.840 -32.055 -3.369 303 1HG2 ILE 41 3HG2 ILE 41 -20.496 -30.125 -2.851 304 2HG2 ILE 41 2HG2 ILE 41 -19.360 -30.464 -1.543 305 3HG2 ILE 41 1HG2 ILE 41 -19.195 -28.988 -2.496 306 1HD1 ILE 41 3HD1 ILE 41 -16.932 -29.250 -2.384 307 2HD1 ILE 41 2HD1 ILE 41 -15.915 -30.367 -1.473 308 3HD1 ILE 41 1HD1 ILE 41 -15.627 -30.116 -3.195 309 H THR 42 H THR 42 -18.689 -33.319 -2.142 310 HA THR 42 HA THR 42 -21.537 -33.702 -1.311 311 HB THR 42 HB THR 42 -21.276 -35.957 -1.193 312 HG1 THR 42 HG1 THR 42 -19.047 -36.719 -0.443 313 1HG2 THR 42 2HG2 THR 42 -20.186 -35.426 -3.390 314 2HG2 THR 42 1HG2 THR 42 -18.624 -35.466 -2.571 315 3HG2 THR 42 3HG2 THR 42 -19.609 -36.927 -2.666 316 HA PRO 43 HA PRO 43 -20.321 -32.294 2.708 317 1HB PRO 43 2HB PRO 43 -21.553 -34.026 4.384 318 2HB PRO 43 1HB PRO 43 -22.428 -32.788 3.480 319 1HG PRO 43 2HG PRO 43 -22.091 -35.702 2.866 320 2HG PRO 43 1HG PRO 43 -23.548 -34.708 2.763 321 1HD PRO 43 1HD PRO 43 -22.093 -35.331 0.576 322 2HD PRO 43 2HD PRO 43 -22.927 -33.783 0.730 323 H ASP 44 H ASP 44 -19.965 -35.754 2.088 324 HA ASP 44 HA ASP 44 -18.172 -36.317 4.241 325 1HB ASP 44 2HB ASP 44 -18.460 -37.660 1.537 326 2HB ASP 44 1HB ASP 44 -17.565 -38.326 2.903 327 H GLU 45 H GLU 45 -17.656 -34.797 1.112 328 HA GLU 45 HA GLU 45 -14.753 -35.190 1.232 329 1HB GLU 45 2HB GLU 45 -16.454 -33.409 -0.543 330 2HB GLU 45 1HB GLU 45 -14.731 -33.718 -0.759 331 1HG GLU 45 2HG GLU 45 -15.247 -36.158 -0.968 332 2HG GLU 45 1HG GLU 45 -16.965 -35.767 -0.889 333 H VAL 46 H VAL 46 -17.117 -32.653 1.871 334 HA VAL 46 HA VAL 46 -15.220 -30.577 2.449 335 HB VAL 46 HB VAL 46 -18.088 -31.033 3.291 336 1HG1 VAL 46 1HG1 VAL 46 -16.838 -29.706 5.012 337 2HG1 VAL 46 3HG1 VAL 46 -16.402 -28.553 3.751 338 3HG1 VAL 46 2HG1 VAL 46 -18.095 -28.773 4.198 339 1HG2 VAL 46 3HG2 VAL 46 -16.744 -29.933 0.987 340 2HG2 VAL 46 2HG2 VAL 46 -18.474 -30.171 1.246 341 3HG2 VAL 46 1HG2 VAL 46 -17.700 -28.675 1.771 342 H LYS 47 H LYS 47 -16.709 -33.122 4.370 343 HA LYS 47 HA LYS 47 -15.752 -32.219 6.929 344 1HB LYS 47 2HB LYS 47 -16.526 -34.969 5.918 345 2HB LYS 47 1HB LYS 47 -16.107 -34.636 7.599 346 1HG LYS 47 2HG LYS 47 -17.920 -32.955 7.708 347 2HG LYS 47 1HG LYS 47 -18.348 -33.316 6.036 348 1HD LYS 47 2HD LYS 47 -18.739 -35.699 6.709 349 2HD LYS 47 1HD LYS 47 -18.452 -35.232 8.385 350 1HE LYS 47 2HE LYS 47 -20.440 -34.077 8.547 351 2HE LYS 47 1HE LYS 47 -20.441 -33.633 6.840 352 1HZ LYS 47 3HZ LYS 47 -20.650 -36.469 7.364 353 2HZ LYS 47 2HZ LYS 47 -21.977 -35.551 7.900 354 3HZ LYS 47 1HZ LYS 47 -21.509 -35.500 6.267 355 H HIS 48 H HIS 48 -14.406 -34.341 4.439 356 HA HIS 48 HA HIS 48 -12.091 -35.145 5.945 357 1HB HIS 48 2HB HIS 48 -12.783 -36.381 3.953 358 2HB HIS 48 1HB HIS 48 -12.532 -34.953 2.950 359 HD1 HIS 48 HD1 HIS 48 -10.901 -37.962 3.541 360 HD2 HIS 48 HD2 HIS 48 -9.575 -34.012 3.676 361 HE1 HIS 48 HE1 HIS 48 -8.382 -38.043 3.298 362 H MET 49 H MET 49 -12.717 -32.470 3.679 363 HA MET 49 HA MET 49 -10.063 -31.454 3.580 364 1HB MET 49 2HB MET 49 -12.791 -30.232 3.226 365 2HB MET 49 1HB MET 49 -11.350 -29.221 3.192 366 1HG MET 49 2HG MET 49 -10.438 -30.957 1.485 367 2HG MET 49 1HG MET 49 -12.121 -31.460 1.328 368 1HE MET 49 3HE MET 49 -13.954 -30.252 0.419 369 2HE MET 49 2HE MET 49 -13.878 -28.951 1.604 370 3HE MET 49 1HE MET 49 -14.002 -28.565 -0.111 371 H MET 50 H MET 50 -12.764 -30.743 5.772 372 HA MET 50 HA MET 50 -11.413 -28.778 7.340 373 1HB MET 50 2HB MET 50 -13.793 -30.532 7.687 374 2HB MET 50 1HB MET 50 -13.091 -29.843 9.151 375 1HG MET 50 2HG MET 50 -13.122 -27.594 7.894 376 2HG MET 50 1HG MET 50 -14.197 -28.391 6.745 377 1HE MET 50 1HE MET 50 -13.379 -27.011 9.909 378 2HE MET 50 3HE MET 50 -14.880 -26.726 10.800 379 3HE MET 50 2HE MET 50 -14.038 -28.267 10.954 380 H ALA 51 H ALA 51 -11.750 -32.290 7.789 381 HA ALA 51 HA ALA 51 -10.224 -32.469 10.190 382 1HB ALA 51 1HB ALA 51 -11.542 -34.365 9.442 383 2HB ALA 51 2HB ALA 51 -9.849 -34.857 9.489 384 3HB ALA 51 3HB ALA 51 -10.613 -34.473 7.947 385 H GLU 52 H GLU 52 -9.297 -31.844 6.939 386 HA GLU 52 HA GLU 52 -6.463 -32.557 7.468 387 1HB GLU 52 2HB GLU 52 -8.043 -31.835 5.015 388 2HB GLU 52 1HB GLU 52 -6.290 -31.646 5.008 389 1HG GLU 52 2HG GLU 52 -6.241 -34.074 5.927 390 2HG GLU 52 1HG GLU 52 -7.909 -34.165 5.363 391 H ILE 53 H ILE 53 -8.555 -29.783 6.857 392 HA ILE 53 HA ILE 53 -6.336 -27.879 6.926 393 HB ILE 53 HB ILE 53 -9.336 -27.466 7.042 394 1HG1 ILE 53 2HG1 ILE 53 -7.389 -27.204 4.736 395 2HG1 ILE 53 1HG1 ILE 53 -8.483 -28.564 4.973 396 1HG2 ILE 53 3HG2 ILE 53 -7.025 -25.553 6.623 397 2HG2 ILE 53 2HG2 ILE 53 -8.715 -25.140 6.328 398 3HG2 ILE 53 1HG2 ILE 53 -8.176 -25.548 7.959 399 1HD1 ILE 53 1HD1 ILE 53 -9.443 -25.700 4.800 400 2HD1 ILE 53 3HD1 ILE 53 -9.327 -26.758 3.394 401 3HD1 ILE 53 2HD1 ILE 53 -10.414 -27.171 4.720 402 H ASP 54 H ASP 54 -8.746 -29.152 9.151 403 HA ASP 54 HA ASP 54 -8.481 -27.255 11.248 404 1HB ASP 54 2HB ASP 54 -10.116 -29.286 10.893 405 2HB ASP 54 1HB ASP 54 -8.882 -30.187 11.764 406 H THR 55 H THR 55 -6.371 -26.701 11.766 407 HA THR 55 HA THR 55 -4.189 -28.552 11.888 408 HB THR 55 HB THR 55 -3.000 -26.710 13.050 409 HG1 THR 55 HG1 THR 55 -4.119 -24.893 13.609 410 1HG2 THR 55 3HG2 THR 55 -3.295 -26.738 10.566 411 2HG2 THR 55 2HG2 THR 55 -4.732 -25.736 10.764 412 3HG2 THR 55 1HG2 THR 55 -3.149 -25.109 11.225 413 H ASP 56 H ASP 56 -6.192 -27.128 14.473 414 HA ASP 56 HA ASP 56 -4.861 -28.856 16.457 415 1HB ASP 56 2HB ASP 56 -5.995 -27.609 18.111 416 2HB ASP 56 1HB ASP 56 -5.648 -26.423 16.855 417 H GLY 57 H GLY 57 -8.037 -28.518 14.939 418 1HA GLY 57 1HA GLY 57 -8.603 -31.324 15.766 419 2HA GLY 57 2HA GLY 57 -9.350 -30.508 14.397 420 H ASP 58 H ASP 58 -9.849 -28.030 16.038 421 HA ASP 58 HA ASP 58 -11.633 -28.923 18.184 422 1HB ASP 58 2HB ASP 58 -12.112 -26.590 18.538 423 2HB ASP 58 1HB ASP 58 -10.384 -26.716 18.219 424 H GLY 59 H GLY 59 -11.872 -28.938 14.874 425 1HA GLY 59 1HA GLY 59 -14.837 -28.974 15.052 426 2HA GLY 59 2HA GLY 59 -13.883 -29.735 13.780 427 H PHE 60 H PHE 60 -12.571 -26.717 14.377 428 HA PHE 60 HA PHE 60 -14.073 -25.601 12.061 429 1HB PHE 60 2HB PHE 60 -13.289 -23.953 14.470 430 2HB PHE 60 1HB PHE 60 -14.296 -23.461 13.108 431 HD1 PHE 60 HD1 PHE 60 -16.579 -24.309 12.851 432 HD2 PHE 60 HD2 PHE 60 -14.157 -25.396 16.225 433 HE1 PHE 60 HE1 PHE 60 -18.592 -25.152 14.023 434 HE2 PHE 60 HE2 PHE 60 -16.171 -26.237 17.400 435 HZ PHE 60 HZ PHE 60 -18.391 -26.117 16.299 436 H ILE 61 H ILE 61 -12.947 -23.972 10.864 437 HA ILE 61 HA ILE 61 -9.990 -24.147 11.142 438 HB ILE 61 HB ILE 61 -11.567 -23.298 8.705 439 1HG1 ILE 61 2HG1 ILE 61 -12.202 -25.598 9.304 440 2HG1 ILE 61 1HG1 ILE 61 -11.185 -25.599 7.863 441 1HG2 ILE 61 2HG2 ILE 61 -8.713 -24.217 9.161 442 2HG2 ILE 61 1HG2 ILE 61 -9.424 -23.939 7.571 443 3HG2 ILE 61 3HG2 ILE 61 -9.238 -22.598 8.700 444 1HD1 ILE 61 3HD1 ILE 61 -9.206 -25.942 9.477 445 2HD1 ILE 61 2HD1 ILE 61 -10.422 -26.335 10.692 446 3HD1 ILE 61 1HD1 ILE 61 -10.284 -27.318 9.233 447 H SER 62 H SER 62 -8.932 -22.241 11.613 448 HA SER 62 HA SER 62 -10.574 -19.770 11.737 449 1HB SER 62 2HB SER 62 -7.792 -20.230 12.851 450 2HB SER 62 1HB SER 62 -8.894 -18.911 13.244 451 HG SER 62 HG SER 62 -9.635 -21.597 13.637 452 H PHE 63 H PHE 63 -9.320 -17.727 11.095 453 HA PHE 63 HA PHE 63 -8.567 -17.867 8.376 454 1HB PHE 63 2HB PHE 63 -9.173 -15.741 9.508 455 2HB PHE 63 1HB PHE 63 -7.656 -15.805 10.410 456 HD1 PHE 63 HD1 PHE 63 -8.651 -16.436 6.852 457 HD2 PHE 63 HD2 PHE 63 -6.054 -14.343 9.554 458 HE1 PHE 63 HE1 PHE 63 -7.468 -15.423 4.927 459 HE2 PHE 63 HE2 PHE 63 -4.862 -13.335 7.629 460 HZ PHE 63 HZ PHE 63 -5.576 -13.871 5.312 461 H GLN 64 H GLN 64 -6.564 -17.873 11.300 462 HA GLN 64 HA GLN 64 -4.028 -17.930 10.022 463 1HB GLN 64 2HB GLN 64 -4.475 -17.600 12.488 464 2HB GLN 64 1HB GLN 64 -4.786 -19.331 12.603 465 1HG GLN 64 2HG GLN 64 -2.465 -18.917 13.211 466 2HG GLN 64 1HG GLN 64 -2.500 -19.747 11.655 467 1HE2 GLN 64 1HE2 GLN 64 -1.013 -18.829 10.240 468 2HE2 GLN 64 2HE2 GLN 64 -0.645 -17.176 10.144 469 H GLU 65 H GLU 65 -6.096 -20.632 11.156 470 HA GLU 65 HA GLU 65 -4.430 -22.739 10.245 471 1HB GLU 65 2HB GLU 65 -7.418 -22.516 10.624 472 2HB GLU 65 1HB GLU 65 -6.652 -24.014 10.114 473 1HG GLU 65 2HG GLU 65 -5.224 -23.964 12.139 474 2HG GLU 65 1HG GLU 65 -6.031 -22.484 12.657 475 H PHE 66 H PHE 66 -7.114 -21.054 8.621 476 HA PHE 66 HA PHE 66 -6.941 -22.505 6.162 477 1HB PHE 66 2HB PHE 66 -8.882 -21.102 6.737 478 2HB PHE 66 1HB PHE 66 -7.870 -19.660 6.660 479 HD1 PHE 66 HD1 PHE 66 -6.991 -18.842 4.513 480 HD2 PHE 66 HD2 PHE 66 -9.563 -22.276 4.716 481 HE1 PHE 66 HE1 PHE 66 -7.371 -18.701 2.067 482 HE2 PHE 66 HE2 PHE 66 -9.945 -22.135 2.269 483 HZ PHE 66 HZ PHE 66 -8.848 -20.348 0.945 484 H THR 67 H THR 67 -5.212 -19.705 7.411 485 HA THR 67 HA THR 67 -3.971 -18.944 4.928 486 HB THR 67 HB THR 67 -3.045 -18.541 7.791 487 HG1 THR 67 HG1 THR 67 -4.590 -17.023 5.975 488 1HG2 THR 67 1HG2 THR 67 -1.331 -18.334 5.859 489 2HG2 THR 67 3HG2 THR 67 -2.244 -16.898 5.396 490 3HG2 THR 67 2HG2 THR 67 -1.475 -16.981 6.981 491 H ASP 68 H ASP 68 -2.825 -20.940 7.667 492 HA ASP 68 HA ASP 68 -0.311 -21.634 6.540 493 1HB ASP 68 2HB ASP 68 -2.067 -23.330 8.341 494 2HB ASP 68 1HB ASP 68 -0.331 -23.521 8.104 495 H PHE 69 H PHE 69 -3.528 -23.048 6.123 496 HA PHE 69 HA PHE 69 -2.537 -25.241 4.477 497 1HB PHE 69 2HB PHE 69 -4.504 -25.913 5.467 498 2HB PHE 69 1HB PHE 69 -5.158 -24.279 5.512 499 HD1 PHE 69 HD1 PHE 69 -5.852 -23.225 3.265 500 HD2 PHE 69 HD2 PHE 69 -5.236 -27.432 3.833 501 HE1 PHE 69 HE1 PHE 69 -7.202 -23.695 1.233 502 HE2 PHE 69 HE2 PHE 69 -6.580 -27.908 1.807 503 HZ PHE 69 HZ PHE 69 -7.566 -26.040 0.504 504 H GLY 70 H GLY 70 -4.026 -22.073 3.974 505 1HA GLY 70 1HA GLY 70 -4.194 -20.760 2.035 506 2HA GLY 70 2HA GLY 70 -4.442 -22.272 1.161 507 H ARG 71 H ARG 71 -1.573 -21.576 3.074 508 HA ARG 71 HA ARG 71 0.072 -20.643 0.908 509 1HB ARG 71 2HB ARG 71 0.747 -21.952 3.555 510 2HB ARG 71 1HB ARG 71 1.973 -21.351 2.439 511 1HG ARG 71 2HG ARG 71 0.827 -19.107 2.514 512 2HG ARG 71 1HG ARG 71 -0.215 -19.743 3.786 513 1HD ARG 71 2HD ARG 71 2.814 -19.613 3.902 514 2HD ARG 71 1HD ARG 71 1.713 -18.513 4.734 515 HE ARG 71 HE ARG 71 1.178 -21.292 5.389 516 1HH1 ARG 71 1HH1 ARG 71 3.711 -19.041 5.779 517 2HH1 ARG 71 2HH1 ARG 71 3.880 -19.299 7.483 518 1HH2 ARG 71 1HH2 ARG 71 1.149 -21.425 7.698 519 2HH2 ARG 71 2HH2 ARG 71 2.429 -20.649 8.570 520 H ALA 72 H ALA 72 -0.662 -23.839 2.211 521 HA ALA 72 HA ALA 72 1.267 -25.289 0.652 522 1HB ALA 72 2HB ALA 72 0.473 -26.959 1.938 523 2HB ALA 72 3HB ALA 72 -1.069 -26.884 1.086 524 3HB ALA 72 1HB ALA 72 -0.807 -25.895 2.523 525 H ASN 73 H ASN 73 -1.734 -23.783 -0.123 526 HA ASN 73 HA ASN 73 -1.484 -24.768 -2.907 527 1HB ASN 73 2HB ASN 73 -4.215 -24.741 -1.650 528 2HB ASN 73 1HB ASN 73 -3.650 -25.635 -3.062 529 1HD2 ASN 73 1HD2 ASN 73 -4.415 -25.994 0.204 530 2HD2 ASN 73 2HD2 ASN 73 -3.559 -27.426 0.513 531 H ARG 74 H ARG 74 -0.726 -22.296 -2.278 532 HA ARG 74 HA ARG 74 -2.581 -20.222 -1.996 533 1HB ARG 74 2HB ARG 74 -0.976 -18.814 -3.269 534 2HB ARG 74 1HB ARG 74 -0.160 -19.815 -2.069 535 1HG ARG 74 2HG ARG 74 0.161 -21.528 -3.959 536 2HG ARG 74 1HG ARG 74 -0.304 -20.230 -5.059 537 1HD ARG 74 2HD ARG 74 2.093 -20.183 -4.920 538 2HD ARG 74 1HD ARG 74 1.508 -18.815 -3.973 539 HE ARG 74 HE ARG 74 2.012 -20.096 -1.939 540 1HH1 ARG 74 1HH1 ARG 74 4.253 -20.284 -4.265 541 2HH1 ARG 74 2HH1 ARG 74 4.886 -21.845 -3.857 542 1HH2 ARG 74 1HH2 ARG 74 2.292 -22.623 -1.690 543 2HH2 ARG 74 2HH2 ARG 74 3.774 -23.170 -2.400 544 H GLY 75 H GLY 75 -1.774 -22.124 -4.843 545 1HA GLY 75 1HA GLY 75 -2.790 -22.253 -6.938 546 2HA GLY 75 2HA GLY 75 -3.244 -20.560 -6.743 547 H LEU 76 H LEU 76 -4.181 -22.968 -4.383 548 HA LEU 76 HA LEU 76 -6.749 -23.612 -5.514 549 1HB LEU 76 2HB LEU 76 -5.498 -23.876 -2.797 550 2HB LEU 76 1HB LEU 76 -7.228 -24.161 -2.988 551 HG LEU 76 HG LEU 76 -5.013 -25.555 -4.524 552 1HD1 LEU 76 1HD1 LEU 76 -5.681 -26.080 -1.987 553 2HD1 LEU 76 3HD1 LEU 76 -6.986 -26.963 -2.778 554 3HD1 LEU 76 2HD1 LEU 76 -5.307 -27.372 -3.128 555 1HD2 LEU 76 1HD2 LEU 76 -8.001 -25.501 -4.775 556 2HD2 LEU 76 3HD2 LEU 76 -6.775 -25.552 -6.042 557 3HD2 LEU 76 2HD2 LEU 76 -7.147 -27.006 -5.115 558 H LEU 77 H LEU 77 -5.743 -21.284 -3.017 559 HA LEU 77 HA LEU 77 -8.341 -20.233 -2.507 560 1HB LEU 77 2HB LEU 77 -5.698 -18.763 -2.311 561 2HB LEU 77 1HB LEU 77 -7.188 -18.370 -1.458 562 HG LEU 77 HG LEU 77 -6.122 -19.562 0.194 563 1HD1 LEU 77 3HD1 LEU 77 -8.209 -20.848 -0.746 564 2HD1 LEU 77 2HD1 LEU 77 -7.007 -22.043 -1.234 565 3HD1 LEU 77 1HD1 LEU 77 -7.184 -21.615 0.467 566 1HD2 LEU 77 2HD2 LEU 77 -4.466 -20.403 -1.975 567 2HD2 LEU 77 1HD2 LEU 77 -4.113 -20.435 -0.247 568 3HD2 LEU 77 3HD2 LEU 77 -4.897 -21.817 -1.012 569 H LYS 78 H LYS 78 -5.805 -19.241 -4.796 570 HA LYS 78 HA LYS 78 -7.152 -16.933 -5.796 571 1HB LYS 78 2HB LYS 78 -5.198 -18.815 -7.153 572 2HB LYS 78 1HB LYS 78 -5.710 -17.265 -7.821 573 1HG LYS 78 2HG LYS 78 -4.911 -16.191 -5.666 574 2HG LYS 78 1HG LYS 78 -4.197 -17.747 -5.241 575 1HD LYS 78 2HD LYS 78 -3.599 -16.345 -7.855 576 2HD LYS 78 1HD LYS 78 -2.637 -16.085 -6.399 577 1HE LYS 78 2HE LYS 78 -2.660 -18.775 -6.407 578 2HE LYS 78 1HE LYS 78 -2.833 -18.496 -8.140 579 1HZ LYS 78 2HZ LYS 78 -0.804 -17.001 -6.629 580 2HZ LYS 78 1HZ LYS 78 -0.488 -18.609 -7.076 581 3HZ LYS 78 3HZ LYS 78 -0.814 -17.447 -8.268 582 H ASP 79 H ASP 79 -7.470 -20.356 -6.527 583 HA ASP 79 HA ASP 79 -9.120 -19.942 -8.888 584 1HB ASP 79 2HB ASP 79 -7.784 -22.022 -8.484 585 2HB ASP 79 1HB ASP 79 -8.870 -22.414 -7.151 586 H VAL 80 H VAL 80 -9.702 -20.566 -5.457 587 HA VAL 80 HA VAL 80 -12.574 -20.835 -5.751 588 HB VAL 80 HB VAL 80 -10.960 -20.117 -3.286 589 1HG1 VAL 80 1HG1 VAL 80 -13.771 -20.320 -3.785 590 2HG1 VAL 80 3HG1 VAL 80 -13.295 -21.676 -2.762 591 3HG1 VAL 80 2HG1 VAL 80 -12.955 -20.022 -2.251 592 1HG2 VAL 80 2HG2 VAL 80 -11.318 -22.620 -4.794 593 2HG2 VAL 80 1HG2 VAL 80 -10.101 -22.198 -3.588 594 3HG2 VAL 80 3HG2 VAL 80 -11.692 -22.763 -3.077 595 H ALA 81 H ALA 81 -10.376 -18.184 -4.937 596 HA ALA 81 HA ALA 81 -12.203 -16.222 -4.136 597 1HB ALA 81 3HB ALA 81 -10.114 -15.325 -6.043 598 2HB ALA 81 1HB ALA 81 -9.544 -16.214 -4.631 599 3HB ALA 81 2HB ALA 81 -10.484 -14.737 -4.422 600 H LYS 82 H LYS 82 -11.306 -17.126 -7.461 601 HA LYS 82 HA LYS 82 -12.963 -15.161 -8.738 602 1HB LYS 82 2HB LYS 82 -12.032 -17.866 -9.750 603 2HB LYS 82 1HB LYS 82 -12.718 -16.587 -10.751 604 1HG LYS 82 2HG LYS 82 -10.874 -15.073 -10.003 605 2HG LYS 82 1HG LYS 82 -10.161 -16.428 -9.126 606 1HD LYS 82 2HD LYS 82 -10.161 -17.697 -11.336 607 2HD LYS 82 1HD LYS 82 -10.568 -16.168 -12.115 608 1HE LYS 82 2HE LYS 82 -8.317 -15.866 -12.217 609 2HE LYS 82 1HE LYS 82 -8.462 -15.432 -10.514 610 1HZ LYS 82 3HZ LYS 82 -8.365 -18.096 -10.371 611 2HZ LYS 82 2HZ LYS 82 -7.381 -17.827 -11.729 612 3HZ LYS 82 1HZ LYS 82 -7.002 -17.094 -10.243 613 H ILE 83 H ILE 83 -13.624 -18.286 -7.334 614 HA ILE 83 HA ILE 83 -16.116 -18.805 -8.651 615 HB ILE 83 HB ILE 83 -15.325 -19.620 -5.845 616 1HG1 ILE 83 2HG1 ILE 83 -14.596 -20.767 -8.548 617 2HG1 ILE 83 1HG1 ILE 83 -13.508 -20.271 -7.254 618 1HG2 ILE 83 3HG2 ILE 83 -17.659 -20.033 -7.361 619 2HG2 ILE 83 2HG2 ILE 83 -16.766 -21.551 -7.455 620 3HG2 ILE 83 1HG2 ILE 83 -17.196 -20.876 -5.884 621 1HD1 ILE 83 3HD1 ILE 83 -14.865 -22.081 -5.867 622 2HD1 ILE 83 2HD1 ILE 83 -15.200 -22.734 -7.470 623 3HD1 ILE 83 1HD1 ILE 83 -13.534 -22.569 -6.917 624 H PHE 84 H PHE 84 -15.370 -17.261 -5.532 625 HA PHE 84 HA PHE 84 -18.173 -16.507 -5.134 626 1HB PHE 84 2HB PHE 84 -15.629 -15.835 -3.631 627 2HB PHE 84 1HB PHE 84 -17.225 -15.260 -3.150 628 HD1 PHE 84 HD1 PHE 84 -15.149 -18.293 -3.685 629 HD2 PHE 84 HD2 PHE 84 -18.809 -16.712 -2.085 630 HE1 PHE 84 HE1 PHE 84 -15.582 -20.450 -2.542 631 HE2 PHE 84 HE2 PHE 84 -19.241 -18.870 -0.942 632 HZ PHE 84 HZ PHE 84 -17.628 -20.739 -1.171 No H/Q in entry = 632 Start of MODEL 20 1 H1 ALA 1 1H ALA 1 9.747 -12.871 3.325 2 H2 ALA 1 3H ALA 1 10.299 -14.231 4.176 3 H3 ALA 1 2H ALA 1 11.394 -13.287 3.282 4 HA ALA 1 HA ALA 1 11.116 -14.909 1.759 5 1HB ALA 1 1HB ALA 1 8.750 -16.029 1.601 6 2HB ALA 1 3HB ALA 1 9.816 -16.460 2.939 7 3HB ALA 1 2HB ALA 1 8.501 -15.311 3.192 8 H ASP 2 H ASP 2 9.254 -15.252 -0.147 9 HA ASP 2 HA ASP 2 8.951 -12.537 -1.237 10 1HB ASP 2 2HB ASP 2 8.248 -13.691 -3.294 11 2HB ASP 2 1HB ASP 2 9.748 -14.385 -2.679 12 H ASP 3 H ASP 3 7.214 -13.963 0.993 13 HA ASP 3 HA ASP 3 4.539 -13.951 -0.143 14 1HB ASP 3 2HB ASP 3 5.498 -13.886 2.735 15 2HB ASP 3 1HB ASP 3 3.819 -14.103 2.245 16 H HIS 4 H HIS 4 3.198 -12.208 -0.375 17 HA HIS 4 HA HIS 4 4.120 -9.614 0.787 18 1HB HIS 4 2HB HIS 4 3.516 -10.281 -1.841 19 2HB HIS 4 1HB HIS 4 2.038 -9.504 -1.276 20 HD1 HIS 4 HD1 HIS 4 2.209 -7.178 -2.189 21 HD2 HIS 4 HD2 HIS 4 5.760 -8.398 -0.380 22 HE1 HIS 4 HE1 HIS 4 3.729 -5.156 -2.164 23 HA PRO 5 HA PRO 5 0.485 -9.487 3.353 24 1HB PRO 5 2HB PRO 5 -0.113 -6.843 3.274 25 2HB PRO 5 1HB PRO 5 1.225 -7.497 4.224 26 1HG PRO 5 2HG PRO 5 1.269 -6.235 1.499 27 2HG PRO 5 1HG PRO 5 2.344 -5.941 2.872 28 1HD PRO 5 1HD PRO 5 3.104 -7.532 0.862 29 2HD PRO 5 2HD PRO 5 3.528 -7.925 2.528 30 H GLN 6 H GLN 6 0.511 -8.325 0.106 31 HA GLN 6 HA GLN 6 -2.230 -7.689 -0.286 32 1HB GLN 6 2HB GLN 6 0.046 -8.566 -2.012 33 2HB GLN 6 1HB GLN 6 -1.581 -8.675 -2.690 34 1HG GLN 6 2HG GLN 6 -1.926 -6.372 -2.585 35 2HG GLN 6 1HG GLN 6 -0.750 -6.153 -1.290 36 1HE2 GLN 6 1HE2 GLN 6 1.043 -5.038 -2.066 37 2HE2 GLN 6 2HE2 GLN 6 1.736 -5.249 -3.601 38 H ASP 7 H ASP 7 -0.488 -10.764 -0.371 39 HA ASP 7 HA ASP 7 -2.582 -12.407 -1.353 40 1HB ASP 7 2HB ASP 7 -0.351 -13.041 0.597 41 2HB ASP 7 1HB ASP 7 -1.379 -14.256 -0.160 42 H LYS 8 H LYS 8 -1.671 -11.726 2.030 43 HA LYS 8 HA LYS 8 -3.636 -13.156 3.370 44 1HB LYS 8 2HB LYS 8 -2.347 -10.501 3.911 45 2HB LYS 8 1HB LYS 8 -3.653 -11.055 4.959 46 1HG LYS 8 2HG LYS 8 -2.338 -13.272 5.105 47 2HG LYS 8 1HG LYS 8 -0.980 -12.360 4.447 48 1HD LYS 8 2HD LYS 8 -1.262 -10.703 6.307 49 2HD LYS 8 1HD LYS 8 -2.504 -11.748 6.997 50 1HE LYS 8 2HE LYS 8 -0.404 -12.247 8.101 51 2HE LYS 8 1HE LYS 8 -0.808 -13.607 7.052 52 1HZ LYS 8 3HZ LYS 8 0.755 -11.493 5.827 53 2HZ LYS 8 2HZ LYS 8 1.553 -12.381 7.035 54 3HZ LYS 8 1HZ LYS 8 0.901 -13.176 5.682 55 H ALA 9 H ALA 9 -3.993 -10.099 1.644 56 HA ALA 9 HA ALA 9 -6.649 -9.489 2.485 57 1HB ALA 9 1HB ALA 9 -5.485 -8.932 -0.256 58 2HB ALA 9 3HB ALA 9 -6.760 -8.031 0.567 59 3HB ALA 9 2HB ALA 9 -5.104 -7.967 1.169 60 H GLU 10 H GLU 10 -5.444 -11.362 -0.283 61 HA GLU 10 HA GLU 10 -8.071 -12.074 -1.243 62 1HB GLU 10 2HB GLU 10 -5.484 -13.599 -1.658 63 2HB GLU 10 1HB GLU 10 -6.923 -13.651 -2.676 64 1HG GLU 10 2HG GLU 10 -6.621 -11.213 -3.146 65 2HG GLU 10 1HG GLU 10 -5.116 -11.255 -2.226 66 H ARG 11 H ARG 11 -5.768 -13.554 0.988 67 HA ARG 11 HA ARG 11 -7.243 -16.014 1.324 68 1HB ARG 11 2HB ARG 11 -5.157 -14.614 3.012 69 2HB ARG 11 1HB ARG 11 -5.836 -16.184 3.434 70 1HG ARG 11 2HG ARG 11 -5.131 -17.015 1.170 71 2HG ARG 11 1HG ARG 11 -4.309 -15.480 0.911 72 1HD ARG 11 2HD ARG 11 -3.665 -17.666 2.877 73 2HD ARG 11 1HD ARG 11 -2.591 -16.843 1.746 74 HE ARG 11 HE ARG 11 -3.753 -15.318 4.020 75 1HH1 ARG 11 1HH1 ARG 11 -1.310 -15.457 1.754 76 2HH1 ARG 11 2HH1 ARG 11 -0.017 -15.105 2.851 77 1HH2 ARG 11 1HH2 ARG 11 -1.993 -15.370 5.687 78 2HH2 ARG 11 2HH2 ARG 11 -0.404 -15.053 5.076 79 H GLU 12 H GLU 12 -7.149 -12.927 3.050 80 HA GLU 12 HA GLU 12 -8.939 -13.698 5.159 81 1HB GLU 12 2HB GLU 12 -7.979 -11.088 4.024 82 2HB GLU 12 1HB GLU 12 -9.315 -11.093 5.172 83 1HG GLU 12 2HG GLU 12 -7.818 -12.544 6.670 84 2HG GLU 12 1HG GLU 12 -6.495 -12.095 5.592 85 H ARG 13 H ARG 13 -9.429 -12.177 1.991 86 HA ARG 13 HA ARG 13 -12.247 -11.742 2.304 87 1HB ARG 13 2HB ARG 13 -10.473 -12.055 -0.125 88 2HB ARG 13 1HB ARG 13 -12.206 -11.755 -0.260 89 1HG ARG 13 2HG ARG 13 -12.022 -9.656 0.878 90 2HG ARG 13 1HG ARG 13 -10.369 -10.001 1.387 91 1HD ARG 13 2HD ARG 13 -9.733 -8.844 -0.455 92 2HD ARG 13 1HD ARG 13 -10.235 -10.269 -1.366 93 HE ARG 13 HE ARG 13 -12.370 -8.323 -0.788 94 1HH1 ARG 13 1HH1 ARG 13 -9.810 -7.682 -2.637 95 2HH1 ARG 13 2HH1 ARG 13 -10.588 -7.805 -4.180 96 1HH2 ARG 13 1HH2 ARG 13 -13.458 -9.282 -2.913 97 2HH2 ARG 13 2HH2 ARG 13 -12.652 -8.712 -4.336 98 H ILE 14 H ILE 14 -10.365 -14.453 0.996 99 HA ILE 14 HA ILE 14 -12.679 -15.997 0.218 100 HB ILE 14 HB ILE 14 -9.895 -16.974 0.923 101 1HG1 ILE 14 2HG1 ILE 14 -10.869 -16.469 -1.867 102 2HG1 ILE 14 1HG1 ILE 14 -10.268 -15.116 -0.912 103 1HG2 ILE 14 3HG2 ILE 14 -11.675 -18.715 0.781 104 2HG2 ILE 14 2HG2 ILE 14 -12.047 -18.164 -0.853 105 3HG2 ILE 14 1HG2 ILE 14 -10.472 -18.876 -0.499 106 1HD1 ILE 14 3HD1 ILE 14 -8.406 -17.178 -0.502 107 2HD1 ILE 14 2HD1 ILE 14 -8.779 -17.236 -2.225 108 3HD1 ILE 14 1HD1 ILE 14 -8.183 -15.742 -1.502 109 H PHE 15 H PHE 15 -10.554 -16.028 3.094 110 HA PHE 15 HA PHE 15 -11.975 -18.133 4.429 111 1HB PHE 15 2HB PHE 15 -9.694 -17.435 5.086 112 2HB PHE 15 1HB PHE 15 -10.327 -15.877 5.626 113 HD1 PHE 15 HD1 PHE 15 -10.191 -19.501 6.293 114 HD2 PHE 15 HD2 PHE 15 -11.713 -15.721 7.648 115 HE1 PHE 15 HE1 PHE 15 -10.788 -20.525 8.469 116 HE2 PHE 15 HE2 PHE 15 -12.312 -16.745 9.828 117 HZ PHE 15 HZ PHE 15 -11.853 -19.151 10.238 118 H LYS 16 H LYS 16 -12.367 -14.624 4.342 119 HA LYS 16 HA LYS 16 -14.296 -14.459 6.462 120 1HB LYS 16 2HB LYS 16 -13.553 -12.705 4.136 121 2HB LYS 16 1HB LYS 16 -14.992 -12.332 5.084 122 1HG LYS 16 2HG LYS 16 -13.643 -12.279 7.138 123 2HG LYS 16 1HG LYS 16 -12.201 -12.701 6.216 124 1HD LYS 16 2HD LYS 16 -12.536 -10.621 4.853 125 2HD LYS 16 1HD LYS 16 -13.864 -10.182 5.927 126 1HE LYS 16 2HE LYS 16 -11.368 -10.915 7.318 127 2HE LYS 16 1HE LYS 16 -11.248 -9.460 6.327 128 1HZ LYS 16 1HZ LYS 16 -13.680 -9.547 7.817 129 2HZ LYS 16 3HZ LYS 16 -12.325 -9.629 8.834 130 3HZ LYS 16 2HZ LYS 16 -12.496 -8.330 7.751 131 H ARG 17 H ARG 17 -14.546 -15.185 3.024 132 HA ARG 17 HA ARG 17 -17.424 -14.999 2.892 133 1HB ARG 17 2HB ARG 17 -15.362 -16.396 1.177 134 2HB ARG 17 1HB ARG 17 -17.088 -16.453 0.817 135 1HG ARG 17 2HG ARG 17 -17.058 -13.904 0.926 136 2HG ARG 17 1HG ARG 17 -15.299 -14.016 0.937 137 1HD ARG 17 2HD ARG 17 -15.484 -15.412 -1.175 138 2HD ARG 17 1HD ARG 17 -17.191 -14.975 -1.222 139 HE ARG 17 HE ARG 17 -16.432 -12.582 -1.388 140 1HH1 ARG 17 1HH1 ARG 17 -13.601 -14.177 -0.943 141 2HH1 ARG 17 2HH1 ARG 17 -12.835 -13.667 -2.412 142 1HH2 ARG 17 1HH2 ARG 17 -15.733 -12.338 -3.773 143 2HH2 ARG 17 2HH2 ARG 17 -14.042 -12.626 -4.013 144 H PHE 18 H PHE 18 -15.145 -17.568 3.696 145 HA PHE 18 HA PHE 18 -17.103 -19.689 3.711 146 1HB PHE 18 2HB PHE 18 -14.339 -19.362 4.853 147 2HB PHE 18 1HB PHE 18 -15.312 -20.775 5.261 148 HD1 PHE 18 HD1 PHE 18 -16.419 -22.034 3.244 149 HD2 PHE 18 HD2 PHE 18 -13.072 -19.364 2.882 150 HE1 PHE 18 HE1 PHE 18 -15.826 -23.071 1.070 151 HE2 PHE 18 HE2 PHE 18 -12.480 -20.403 0.709 152 HZ PHE 18 HZ PHE 18 -13.856 -22.256 -0.197 153 H ASP 19 H ASP 19 -15.687 -17.687 6.305 154 HA ASP 19 HA ASP 19 -17.155 -18.847 8.448 155 1HB ASP 19 2HB ASP 19 -15.227 -17.076 8.485 156 2HB ASP 19 1HB ASP 19 -16.538 -15.897 8.369 157 H ALA 20 H ALA 20 -19.351 -19.141 8.167 158 HA ALA 20 HA ALA 20 -21.048 -17.362 6.713 159 1HB ALA 20 3HB ALA 20 -21.473 -19.806 7.274 160 2HB ALA 20 2HB ALA 20 -21.939 -19.263 8.885 161 3HB ALA 20 1HB ALA 20 -22.852 -18.727 7.475 162 H ASN 21 H ASN 21 -20.750 -17.807 10.285 163 HA ASN 21 HA ASN 21 -22.406 -15.394 10.641 164 1HB ASN 21 2HB ASN 21 -22.344 -15.887 13.008 165 2HB ASN 21 1HB ASN 21 -22.669 -17.383 12.140 166 1HD2 ASN 21 1HD2 ASN 21 -21.435 -17.026 14.818 167 2HD2 ASN 21 2HD2 ASN 21 -19.916 -17.773 14.734 168 H GLY 22 H GLY 22 -19.069 -16.258 10.551 169 1HA GLY 22 1HA GLY 22 -18.342 -13.431 10.809 170 2HA GLY 22 2HA GLY 22 -17.240 -14.748 10.417 171 H ASP 23 H ASP 23 -17.674 -16.428 12.629 172 HA ASP 23 HA ASP 23 -17.056 -14.694 14.967 173 1HB ASP 23 2HB ASP 23 -17.401 -16.700 16.345 174 2HB ASP 23 1HB ASP 23 -18.801 -16.400 15.320 175 H GLY 24 H GLY 24 -15.366 -15.926 12.533 176 1HA GLY 24 1HA GLY 24 -12.932 -16.178 14.199 177 2HA GLY 24 2HA GLY 24 -12.964 -15.920 12.456 178 H LYS 25 H LYS 25 -15.144 -18.363 13.409 179 HA LYS 25 HA LYS 25 -13.133 -20.423 12.610 180 1HB LYS 25 2HB LYS 25 -14.020 -21.957 14.224 181 2HB LYS 25 1HB LYS 25 -13.765 -20.438 15.081 182 1HG LYS 25 2HG LYS 25 -16.109 -19.880 14.913 183 2HG LYS 25 1HG LYS 25 -16.412 -21.255 13.852 184 1HD LYS 25 2HD LYS 25 -15.616 -22.753 15.735 185 2HD LYS 25 1HD LYS 25 -15.614 -21.328 16.775 186 1HE LYS 25 2HE LYS 25 -17.742 -22.770 16.804 187 2HE LYS 25 1HE LYS 25 -17.966 -21.038 16.557 188 1HZ LYS 25 3HZ LYS 25 -17.685 -22.914 14.289 189 2HZ LYS 25 2HZ LYS 25 -19.194 -22.591 15.001 190 3HZ LYS 25 1HZ LYS 25 -18.305 -21.336 14.280 191 H ILE 26 H ILE 26 -13.837 -21.947 11.154 192 HA ILE 26 HA ILE 26 -16.627 -21.602 10.131 193 HB ILE 26 HB ILE 26 -14.364 -22.824 8.560 194 1HG1 ILE 26 2HG1 ILE 26 -15.071 -19.888 8.834 195 2HG1 ILE 26 1HG1 ILE 26 -13.534 -20.646 9.253 196 1HG2 ILE 26 3HG2 ILE 26 -16.904 -21.347 7.801 197 2HG2 ILE 26 2HG2 ILE 26 -15.745 -22.036 6.666 198 3HG2 ILE 26 1HG2 ILE 26 -16.671 -23.094 7.731 199 1HD1 ILE 26 3HD1 ILE 26 -14.132 -21.375 6.569 200 2HD1 ILE 26 2HD1 ILE 26 -14.390 -19.636 6.706 201 3HD1 ILE 26 1HD1 ILE 26 -12.830 -20.334 7.138 202 H SER 27 H SER 27 -17.924 -23.386 10.142 203 HA SER 27 HA SER 27 -16.711 -25.942 11.087 204 1HB SER 27 2HB SER 27 -18.789 -26.480 12.058 205 2HB SER 27 1HB SER 27 -18.663 -24.742 12.335 206 HG SER 27 HG SER 27 -20.675 -25.208 11.472 207 H ALA 28 H ALA 28 -17.866 -27.938 10.128 208 HA ALA 28 HA ALA 28 -17.536 -28.035 7.349 209 1HB ALA 28 3HB ALA 28 -19.495 -29.913 7.728 210 2HB ALA 28 1HB ALA 28 -18.878 -29.722 9.369 211 3HB ALA 28 2HB ALA 28 -17.786 -30.187 8.064 212 H ALA 29 H ALA 29 -20.537 -27.452 9.175 213 HA ALA 29 HA ALA 29 -22.275 -27.207 6.960 214 1HB ALA 29 3HB ALA 29 -22.498 -26.895 9.710 215 2HB ALA 29 1HB ALA 29 -23.797 -26.657 8.540 216 3HB ALA 29 2HB ALA 29 -22.840 -25.281 9.087 217 H GLU 30 H GLU 30 -20.134 -24.811 8.465 218 HA GLU 30 HA GLU 30 -21.062 -22.658 6.748 219 1HB GLU 30 2HB GLU 30 -18.577 -22.917 8.464 220 2HB GLU 30 1HB GLU 30 -19.071 -21.437 7.644 221 1HG GLU 30 2HG GLU 30 -21.230 -21.506 8.885 222 2HG GLU 30 1HG GLU 30 -20.665 -22.935 9.750 223 H LEU 31 H LEU 31 -18.019 -24.541 6.871 224 HA LEU 31 HA LEU 31 -16.977 -23.471 4.435 225 1HB LEU 31 2HB LEU 31 -15.537 -24.682 5.996 226 2HB LEU 31 1HB LEU 31 -16.480 -26.154 5.765 227 HG LEU 31 HG LEU 31 -15.903 -25.773 3.222 228 1HD1 LEU 31 2HD1 LEU 31 -14.758 -23.524 4.049 229 2HD1 LEU 31 1HD1 LEU 31 -13.395 -24.598 4.365 230 3HD1 LEU 31 3HD1 LEU 31 -14.051 -24.463 2.733 231 1HD2 LEU 31 2HD2 LEU 31 -14.090 -26.842 5.385 232 2HD2 LEU 31 1HD2 LEU 31 -15.124 -27.744 4.276 233 3HD2 LEU 31 3HD2 LEU 31 -13.655 -26.970 3.681 234 H GLY 32 H GLY 32 -18.961 -26.337 5.115 235 1HA GLY 32 1HA GLY 32 -20.232 -27.679 3.668 236 2HA GLY 32 2HA GLY 32 -19.017 -27.336 2.439 237 H GLU 33 H GLU 33 -21.174 -25.098 4.178 238 HA GLU 33 HA GLU 33 -23.075 -24.725 2.123 239 1HB GLU 33 2HB GLU 33 -22.156 -23.166 4.477 240 2HB GLU 33 1HB GLU 33 -23.025 -22.263 3.239 241 1HG GLU 33 2HG GLU 33 -24.816 -24.051 3.331 242 2HG GLU 33 1HG GLU 33 -23.987 -24.711 4.740 243 H ALA 34 H ALA 34 -20.000 -23.016 2.690 244 HA ALA 34 HA ALA 34 -20.334 -21.306 0.371 245 1HB ALA 34 1HB ALA 34 -18.812 -20.387 1.878 246 2HB ALA 34 2HB ALA 34 -17.712 -21.156 0.734 247 3HB ALA 34 3HB ALA 34 -18.094 -21.952 2.261 248 H LEU 35 H LEU 35 -18.700 -24.362 1.052 249 HA LEU 35 HA LEU 35 -17.357 -24.681 -1.422 250 1HB LEU 35 2HB LEU 35 -18.357 -26.522 0.707 251 2HB LEU 35 1HB LEU 35 -17.899 -27.231 -0.840 252 HG LEU 35 HG LEU 35 -16.156 -25.458 0.899 253 1HD1 LEU 35 2HD1 LEU 35 -16.371 -28.408 0.426 254 2HD1 LEU 35 1HD1 LEU 35 -14.772 -27.715 0.697 255 3HD1 LEU 35 3HD1 LEU 35 -16.029 -27.537 1.921 256 1HD2 LEU 35 3HD2 LEU 35 -15.928 -26.468 -1.905 257 2HD2 LEU 35 2HD2 LEU 35 -15.354 -24.952 -1.208 258 3HD2 LEU 35 1HD2 LEU 35 -14.464 -26.448 -0.921 259 H LYS 36 H LYS 36 -20.733 -25.260 -0.525 260 HA LYS 36 HA LYS 36 -21.653 -26.828 -2.614 261 1HB LYS 36 2HB LYS 36 -22.795 -24.796 -0.873 262 2HB LYS 36 1HB LYS 36 -23.548 -24.771 -2.468 263 1HG LYS 36 2HG LYS 36 -24.027 -27.162 -2.319 264 2HG LYS 36 1HG LYS 36 -23.179 -27.262 -0.777 265 1HD LYS 36 2HD LYS 36 -25.035 -25.175 -0.460 266 2HD LYS 36 1HD LYS 36 -25.912 -26.447 -1.309 267 1HE LYS 36 2HE LYS 36 -24.185 -27.338 0.936 268 2HE LYS 36 1HE LYS 36 -25.611 -26.403 1.385 269 1HZ LYS 36 1HZ LYS 36 -26.964 -27.925 0.068 270 2HZ LYS 36 3HZ LYS 36 -25.587 -28.839 -0.315 271 3HZ LYS 36 2HZ LYS 36 -26.125 -28.749 1.294 272 H THR 37 H THR 37 -20.405 -23.574 -2.797 273 HA THR 37 HA THR 37 -21.486 -22.666 -5.221 274 HB THR 37 HB THR 37 -19.855 -21.455 -3.666 275 HG1 THR 37 HG1 THR 37 -20.383 -20.470 -5.556 276 1HG2 THR 37 1HG2 THR 37 -18.151 -23.277 -3.671 277 2HG2 THR 37 3HG2 THR 37 -17.830 -22.930 -5.370 278 3HG2 THR 37 2HG2 THR 37 -17.478 -21.716 -4.141 279 H LEU 38 H LEU 38 -19.205 -25.227 -4.631 280 HA LEU 38 HA LEU 38 -18.048 -25.413 -7.238 281 1HB LEU 38 2HB LEU 38 -18.620 -27.570 -5.183 282 2HB LEU 38 1HB LEU 38 -17.625 -27.805 -6.621 283 HG LEU 38 HG LEU 38 -17.104 -25.882 -4.335 284 1HD1 LEU 38 1HD1 LEU 38 -16.505 -28.295 -4.005 285 2HD1 LEU 38 3HD1 LEU 38 -15.467 -28.190 -5.427 286 3HD1 LEU 38 2HD1 LEU 38 -15.103 -27.225 -3.997 287 1HD2 LEU 38 1HD2 LEU 38 -15.703 -26.227 -7.002 288 2HD2 LEU 38 3HD2 LEU 38 -16.497 -24.772 -6.401 289 3HD2 LEU 38 2HD2 LEU 38 -15.015 -25.346 -5.638 290 H GLY 39 H GLY 39 -21.117 -26.505 -5.922 291 1HA GLY 39 1HA GLY 39 -22.278 -26.763 -8.547 292 2HA GLY 39 2HA GLY 39 -23.042 -27.263 -7.037 293 H SER 40 H SER 40 -20.199 -28.796 -6.860 294 HA SER 40 HA SER 40 -21.356 -31.322 -7.815 295 1HB SER 40 2HB SER 40 -19.335 -29.832 -9.329 296 2HB SER 40 1HB SER 40 -18.838 -31.482 -8.954 297 HG SER 40 HG SER 40 -20.147 -31.102 -10.929 298 H ILE 41 H ILE 41 -20.922 -30.860 -5.229 299 HA ILE 41 HA ILE 41 -18.515 -32.504 -4.654 300 HB ILE 41 HB ILE 41 -18.121 -29.954 -4.327 301 1HG1 ILE 41 2HG1 ILE 41 -17.650 -31.619 -1.859 302 2HG1 ILE 41 1HG1 ILE 41 -16.820 -31.982 -3.372 303 1HG2 ILE 41 2HG2 ILE 41 -20.444 -30.037 -2.942 304 2HG2 ILE 41 1HG2 ILE 41 -19.305 -30.304 -1.623 305 3HG2 ILE 41 3HG2 ILE 41 -19.180 -28.851 -2.617 306 1HD1 ILE 41 3HD1 ILE 41 -16.830 -29.175 -2.284 307 2HD1 ILE 41 2HD1 ILE 41 -15.677 -30.360 -1.670 308 3HD1 ILE 41 1HD1 ILE 41 -15.676 -29.932 -3.381 309 H THR 42 H THR 42 -18.607 -33.185 -2.233 310 HA THR 42 HA THR 42 -21.461 -33.640 -1.456 311 HB THR 42 HB THR 42 -21.142 -35.885 -1.378 312 HG1 THR 42 HG1 THR 42 -18.518 -35.639 -0.400 313 1HG2 THR 42 2HG2 THR 42 -19.927 -35.329 -3.495 314 2HG2 THR 42 1HG2 THR 42 -18.420 -35.309 -2.577 315 3HG2 THR 42 3HG2 THR 42 -19.341 -36.806 -2.728 316 HA PRO 43 HA PRO 43 -20.356 -32.236 2.596 317 1HB PRO 43 2HB PRO 43 -21.576 -34.008 4.235 318 2HB PRO 43 1HB PRO 43 -22.467 -32.790 3.318 319 1HG PRO 43 2HG PRO 43 -22.047 -35.693 2.708 320 2HG PRO 43 1HG PRO 43 -23.521 -34.729 2.565 321 1HD PRO 43 1HD PRO 43 -21.981 -35.325 0.422 322 2HD PRO 43 2HD PRO 43 -22.877 -33.810 0.541 323 H ASP 44 H ASP 44 -19.915 -35.683 1.955 324 HA ASP 44 HA ASP 44 -18.157 -36.251 4.127 325 1HB ASP 44 2HB ASP 44 -18.437 -37.509 1.389 326 2HB ASP 44 1HB ASP 44 -17.396 -38.162 2.652 327 H GLU 45 H GLU 45 -17.602 -34.642 1.051 328 HA GLU 45 HA GLU 45 -14.694 -34.942 1.221 329 1HB GLU 45 2HB GLU 45 -16.479 -33.216 -0.521 330 2HB GLU 45 1HB GLU 45 -14.724 -33.281 -0.671 331 1HG GLU 45 2HG GLU 45 -14.956 -35.796 -0.956 332 2HG GLU 45 1HG GLU 45 -16.696 -35.541 -1.086 333 H VAL 46 H VAL 46 -17.145 -32.521 1.961 334 HA VAL 46 HA VAL 46 -15.333 -30.402 2.633 335 HB VAL 46 HB VAL 46 -18.165 -31.008 3.513 336 1HG1 VAL 46 3HG1 VAL 46 -16.273 -29.242 4.721 337 2HG1 VAL 46 2HG1 VAL 46 -17.454 -28.256 3.860 338 3HG1 VAL 46 1HG1 VAL 46 -17.991 -29.406 5.085 339 1HG2 VAL 46 3HG2 VAL 46 -17.056 -30.006 1.135 340 2HG2 VAL 46 2HG2 VAL 46 -18.753 -29.944 1.614 341 3HG2 VAL 46 1HG2 VAL 46 -17.684 -28.591 1.980 342 H LYS 47 H LYS 47 -16.704 -33.087 4.457 343 HA LYS 47 HA LYS 47 -15.707 -32.248 7.031 344 1HB LYS 47 2HB LYS 47 -16.492 -34.969 5.952 345 2HB LYS 47 1HB LYS 47 -16.036 -34.686 7.631 346 1HG LYS 47 2HG LYS 47 -17.849 -32.961 7.776 347 2HG LYS 47 1HG LYS 47 -18.349 -33.407 6.143 348 1HD LYS 47 2HD LYS 47 -18.566 -35.799 6.999 349 2HD LYS 47 1HD LYS 47 -18.372 -35.142 8.624 350 1HE LYS 47 2HE LYS 47 -20.292 -33.546 8.043 351 2HE LYS 47 1HE LYS 47 -20.579 -34.574 6.637 352 1HZ LYS 47 2HZ LYS 47 -20.268 -36.197 8.905 353 2HZ LYS 47 1HZ LYS 47 -21.409 -34.991 9.266 354 3HZ LYS 47 3HZ LYS 47 -21.642 -36.002 7.926 355 H HIS 48 H HIS 48 -14.427 -34.269 4.429 356 HA HIS 48 HA HIS 48 -12.063 -35.117 5.830 357 1HB HIS 48 2HB HIS 48 -12.898 -36.217 3.762 358 2HB HIS 48 1HB HIS 48 -12.490 -34.766 2.846 359 HD1 HIS 48 HD1 HIS 48 -10.785 -36.353 1.506 360 HD2 HIS 48 HD2 HIS 48 -9.851 -35.696 5.516 361 HE1 HIS 48 HE1 HIS 48 -8.369 -37.052 1.802 362 H MET 49 H MET 49 -12.778 -32.350 3.701 363 HA MET 49 HA MET 49 -10.129 -31.313 3.579 364 1HB MET 49 2HB MET 49 -12.870 -30.090 3.337 365 2HB MET 49 1HB MET 49 -11.430 -29.077 3.304 366 1HG MET 49 2HG MET 49 -10.561 -30.738 1.509 367 2HG MET 49 1HG MET 49 -12.243 -31.251 1.380 368 1HE MET 49 2HE MET 49 -13.171 -30.808 -0.383 369 2HE MET 49 1HE MET 49 -13.485 -29.284 -1.210 370 3HE MET 49 3HE MET 49 -11.972 -30.154 -1.496 371 H MET 50 H MET 50 -12.795 -30.680 5.842 372 HA MET 50 HA MET 50 -11.407 -28.791 7.465 373 1HB MET 50 2HB MET 50 -13.745 -30.627 7.879 374 2HB MET 50 1HB MET 50 -13.059 -29.780 9.262 375 1HG MET 50 2HG MET 50 -13.238 -27.651 7.815 376 2HG MET 50 1HG MET 50 -14.294 -28.603 6.772 377 1HE MET 50 3HE MET 50 -13.465 -26.984 9.862 378 2HE MET 50 2HE MET 50 -14.936 -26.782 10.810 379 3HE MET 50 1HE MET 50 -14.015 -28.279 10.934 380 H ALA 51 H ALA 51 -11.794 -32.311 7.795 381 HA ALA 51 HA ALA 51 -10.244 -32.637 10.148 382 1HB ALA 51 3HB ALA 51 -11.352 -34.592 9.555 383 2HB ALA 51 1HB ALA 51 -9.730 -34.960 8.971 384 3HB ALA 51 2HB ALA 51 -10.969 -34.412 7.843 385 H GLU 52 H GLU 52 -9.309 -31.849 6.921 386 HA GLU 52 HA GLU 52 -6.473 -32.562 7.451 387 1HB GLU 52 2HB GLU 52 -8.026 -31.760 5.000 388 2HB GLU 52 1HB GLU 52 -6.268 -31.611 5.021 389 1HG GLU 52 2HG GLU 52 -6.229 -34.048 5.824 390 2HG GLU 52 1HG GLU 52 -7.931 -34.112 5.365 391 H ILE 53 H ILE 53 -8.583 -29.792 6.917 392 HA ILE 53 HA ILE 53 -6.380 -27.868 7.045 393 HB ILE 53 HB ILE 53 -9.386 -27.501 7.136 394 1HG1 ILE 53 2HG1 ILE 53 -7.409 -27.151 4.868 395 2HG1 ILE 53 1HG1 ILE 53 -8.492 -28.529 5.050 396 1HG2 ILE 53 1HG2 ILE 53 -7.805 -25.680 8.096 397 2HG2 ILE 53 3HG2 ILE 53 -7.339 -25.413 6.416 398 3HG2 ILE 53 2HG2 ILE 53 -9.018 -25.190 6.913 399 1HD1 ILE 53 1HD1 ILE 53 -9.606 -25.738 5.076 400 2HD1 ILE 53 3HD1 ILE 53 -9.236 -26.524 3.540 401 3HD1 ILE 53 2HD1 ILE 53 -10.405 -27.249 4.645 402 H ASP 54 H ASP 54 -8.757 -29.250 9.230 403 HA ASP 54 HA ASP 54 -8.580 -27.374 11.352 404 1HB ASP 54 2HB ASP 54 -10.126 -29.473 10.930 405 2HB ASP 54 1HB ASP 54 -8.886 -30.315 11.848 406 H THR 55 H THR 55 -6.505 -26.758 11.942 407 HA THR 55 HA THR 55 -4.305 -28.628 12.130 408 HB THR 55 HB THR 55 -3.073 -26.735 13.110 409 HG1 THR 55 HG1 THR 55 -4.196 -24.808 13.476 410 1HG2 THR 55 1HG2 THR 55 -4.851 -26.134 10.739 411 2HG2 THR 55 3HG2 THR 55 -3.526 -25.079 11.234 412 3HG2 THR 55 2HG2 THR 55 -3.193 -26.733 10.718 413 H ASP 56 H ASP 56 -6.268 -26.953 14.603 414 HA ASP 56 HA ASP 56 -4.946 -28.518 16.712 415 1HB ASP 56 2HB ASP 56 -6.244 -27.229 18.277 416 2HB ASP 56 1HB ASP 56 -5.657 -26.122 17.038 417 H GLY 57 H GLY 57 -7.940 -28.623 14.892 418 1HA GLY 57 1HA GLY 57 -8.472 -31.271 16.084 419 2HA GLY 57 2HA GLY 57 -9.255 -30.611 14.653 420 H ASP 58 H ASP 58 -9.846 -28.028 16.114 421 HA ASP 58 HA ASP 58 -11.637 -28.876 18.285 422 1HB ASP 58 2HB ASP 58 -12.085 -26.550 18.624 423 2HB ASP 58 1HB ASP 58 -10.367 -26.667 18.252 424 H GLY 59 H GLY 59 -11.842 -28.908 14.958 425 1HA GLY 59 1HA GLY 59 -14.809 -28.995 15.124 426 2HA GLY 59 2HA GLY 59 -13.837 -29.745 13.861 427 H PHE 60 H PHE 60 -12.675 -26.643 14.514 428 HA PHE 60 HA PHE 60 -14.187 -25.600 12.157 429 1HB PHE 60 2HB PHE 60 -13.382 -23.918 14.538 430 2HB PHE 60 1HB PHE 60 -14.401 -23.441 13.181 431 HD1 PHE 60 HD1 PHE 60 -16.603 -24.697 12.824 432 HD2 PHE 60 HD2 PHE 60 -14.317 -24.930 16.449 433 HE1 PHE 60 HE1 PHE 60 -18.604 -25.516 14.033 434 HE2 PHE 60 HE2 PHE 60 -16.318 -25.746 17.659 435 HZ PHE 60 HZ PHE 60 -18.465 -26.042 16.453 436 H ILE 61 H ILE 61 -13.060 -24.050 10.863 437 HA ILE 61 HA ILE 61 -10.109 -24.207 11.156 438 HB ILE 61 HB ILE 61 -11.725 -23.362 8.737 439 1HG1 ILE 61 2HG1 ILE 61 -12.267 -25.680 9.263 440 2HG1 ILE 61 1HG1 ILE 61 -11.183 -25.648 7.873 441 1HG2 ILE 61 1HG2 ILE 61 -9.276 -22.662 9.009 442 2HG2 ILE 61 3HG2 ILE 61 -8.879 -24.375 8.886 443 3HG2 ILE 61 2HG2 ILE 61 -9.670 -23.554 7.540 444 1HD1 ILE 61 1HD1 ILE 61 -9.259 -26.047 9.420 445 2HD1 ILE 61 3HD1 ILE 61 -10.403 -26.194 10.755 446 3HD1 ILE 61 2HD1 ILE 61 -10.431 -27.368 9.436 447 H SER 62 H SER 62 -9.049 -22.327 11.687 448 HA SER 62 HA SER 62 -10.665 -19.847 11.856 449 1HB SER 62 2HB SER 62 -8.211 -19.245 12.945 450 2HB SER 62 1HB SER 62 -9.595 -19.836 13.865 451 HG SER 62 HG SER 62 -7.264 -21.106 13.160 452 H PHE 63 H PHE 63 -9.483 -17.803 11.189 453 HA PHE 63 HA PHE 63 -8.726 -17.908 8.475 454 1HB PHE 63 2HB PHE 63 -9.354 -15.800 9.611 455 2HB PHE 63 1HB PHE 63 -7.851 -15.858 10.537 456 HD1 PHE 63 HD1 PHE 63 -8.778 -16.465 6.956 457 HD2 PHE 63 HD2 PHE 63 -6.256 -14.362 9.722 458 HE1 PHE 63 HE1 PHE 63 -7.572 -15.423 5.063 459 HE2 PHE 63 HE2 PHE 63 -5.045 -13.321 7.826 460 HZ PHE 63 HZ PHE 63 -5.709 -13.849 5.493 461 H GLN 64 H GLN 64 -6.728 -17.953 11.398 462 HA GLN 64 HA GLN 64 -4.186 -17.951 10.124 463 1HB GLN 64 2HB GLN 64 -4.640 -17.671 12.591 464 2HB GLN 64 1HB GLN 64 -4.940 -19.407 12.674 465 1HG GLN 64 2HG GLN 64 -2.636 -19.065 13.291 466 2HG GLN 64 1HG GLN 64 -2.636 -19.748 11.665 467 1HE2 GLN 64 1HE2 GLN 64 -1.107 -18.693 10.396 468 2HE2 GLN 64 2HE2 GLN 64 -0.772 -17.030 10.448 469 H GLU 65 H GLU 65 -6.251 -20.687 11.167 470 HA GLU 65 HA GLU 65 -4.546 -22.765 10.237 471 1HB GLU 65 2HB GLU 65 -7.504 -22.536 10.725 472 2HB GLU 65 1HB GLU 65 -6.843 -23.994 9.994 473 1HG GLU 65 2HG GLU 65 -5.320 -24.279 11.909 474 2HG GLU 65 1HG GLU 65 -5.955 -22.803 12.638 475 H PHE 66 H PHE 66 -7.248 -21.089 8.640 476 HA PHE 66 HA PHE 66 -7.070 -22.494 6.160 477 1HB PHE 66 2HB PHE 66 -9.000 -21.071 6.832 478 2HB PHE 66 1HB PHE 66 -7.985 -19.643 6.639 479 HD1 PHE 66 HD1 PHE 66 -7.164 -18.969 4.410 480 HD2 PHE 66 HD2 PHE 66 -9.836 -22.293 4.916 481 HE1 PHE 66 HE1 PHE 66 -7.671 -18.932 1.981 482 HE2 PHE 66 HE2 PHE 66 -10.343 -22.256 2.489 483 HZ PHE 66 HZ PHE 66 -9.261 -20.576 1.022 484 H THR 67 H THR 67 -5.401 -19.649 7.410 485 HA THR 67 HA THR 67 -4.142 -18.901 4.932 486 HB THR 67 HB THR 67 -3.436 -18.394 7.833 487 HG1 THR 67 HG1 THR 67 -4.627 -16.701 7.529 488 1HG2 THR 67 2HG2 THR 67 -2.089 -17.328 5.335 489 2HG2 THR 67 1HG2 THR 67 -1.789 -16.752 6.974 490 3HG2 THR 67 3HG2 THR 67 -1.360 -18.403 6.528 491 H ASP 68 H ASP 68 -3.008 -20.843 7.714 492 HA ASP 68 HA ASP 68 -0.459 -21.494 6.628 493 1HB ASP 68 2HB ASP 68 -2.197 -23.179 8.456 494 2HB ASP 68 1HB ASP 68 -0.458 -23.359 8.225 495 H PHE 69 H PHE 69 -3.634 -23.017 6.241 496 HA PHE 69 HA PHE 69 -2.587 -25.216 4.650 497 1HB PHE 69 2HB PHE 69 -4.563 -25.900 5.602 498 2HB PHE 69 1HB PHE 69 -5.236 -24.273 5.618 499 HD1 PHE 69 HD1 PHE 69 -5.938 -23.254 3.373 500 HD2 PHE 69 HD2 PHE 69 -5.216 -27.443 3.950 501 HE1 PHE 69 HE1 PHE 69 -7.250 -23.762 1.325 502 HE2 PHE 69 HE2 PHE 69 -6.521 -27.955 1.908 503 HZ PHE 69 HZ PHE 69 -7.543 -26.115 0.593 504 H GLY 70 H GLY 70 -4.123 -22.090 4.030 505 1HA GLY 70 1HA GLY 70 -4.232 -20.818 2.060 506 2HA GLY 70 2HA GLY 70 -4.492 -22.351 1.226 507 H ARG 71 H ARG 71 -1.619 -21.797 3.140 508 HA ARG 71 HA ARG 71 0.048 -20.900 0.943 509 1HB ARG 71 2HB ARG 71 0.727 -22.107 3.641 510 2HB ARG 71 1HB ARG 71 1.930 -21.483 2.513 511 1HG ARG 71 2HG ARG 71 0.738 -19.277 2.552 512 2HG ARG 71 1HG ARG 71 -0.330 -19.920 3.800 513 1HD ARG 71 2HD ARG 71 2.684 -19.622 3.988 514 2HD ARG 71 1HD ARG 71 1.482 -18.667 4.857 515 HE ARG 71 HE ARG 71 1.239 -21.533 5.350 516 1HH1 ARG 71 1HH1 ARG 71 1.289 -18.633 6.871 517 2HH1 ARG 71 2HH1 ARG 71 2.318 -19.096 8.186 518 1HH2 ARG 71 1HH2 ARG 71 3.220 -22.125 6.761 519 2HH2 ARG 71 2HH2 ARG 71 3.410 -21.074 8.124 520 H ALA 72 H ALA 72 -0.857 -24.011 2.299 521 HA ALA 72 HA ALA 72 1.142 -25.576 0.936 522 1HB ALA 72 1HB ALA 72 0.228 -27.144 2.266 523 2HB ALA 72 2HB ALA 72 -1.231 -27.113 1.276 524 3HB ALA 72 3HB ALA 72 -1.091 -26.047 2.675 525 H ASN 73 H ASN 73 -1.785 -24.048 -0.078 526 HA ASN 73 HA ASN 73 -1.354 -25.075 -2.814 527 1HB ASN 73 2HB ASN 73 -4.151 -25.187 -1.717 528 2HB ASN 73 1HB ASN 73 -3.462 -26.049 -3.093 529 1HD2 ASN 73 1HD2 ASN 73 -4.289 -26.370 0.200 530 2HD2 ASN 73 2HD2 ASN 73 -3.417 -27.788 0.528 531 H ARG 74 H ARG 74 -0.754 -22.573 -2.216 532 HA ARG 74 HA ARG 74 -2.715 -20.585 -2.042 533 1HB ARG 74 2HB ARG 74 -0.118 -20.617 -3.601 534 2HB ARG 74 1HB ARG 74 -1.107 -19.170 -3.410 535 1HG ARG 74 2HG ARG 74 -0.936 -19.396 -0.946 536 2HG ARG 74 1HG ARG 74 0.087 -20.816 -1.158 537 1HD ARG 74 2HD ARG 74 1.676 -19.377 -2.483 538 2HD ARG 74 1HD ARG 74 0.697 -17.980 -2.038 539 HE ARG 74 HE ARG 74 1.218 -18.778 0.400 540 1HH1 ARG 74 1HH1 ARG 74 3.292 -17.521 -1.775 541 2HH1 ARG 74 2HH1 ARG 74 4.742 -18.217 -1.132 542 1HH2 ARG 74 1HH2 ARG 74 3.072 -20.388 0.995 543 2HH2 ARG 74 2HH2 ARG 74 4.617 -19.841 0.436 544 H GLY 75 H GLY 75 -1.633 -22.408 -4.860 545 1HA GLY 75 1HA GLY 75 -2.623 -22.702 -6.949 546 2HA GLY 75 2HA GLY 75 -3.052 -20.994 -6.865 547 H LEU 76 H LEU 76 -4.185 -23.004 -4.310 548 HA LEU 76 HA LEU 76 -6.723 -23.700 -5.587 549 1HB LEU 76 2HB LEU 76 -5.693 -23.913 -2.750 550 2HB LEU 76 1HB LEU 76 -7.334 -24.373 -3.198 551 HG LEU 76 HG LEU 76 -4.786 -25.521 -4.377 552 1HD1 LEU 76 1HD1 LEU 76 -6.038 -26.108 -1.962 553 2HD1 LEU 76 3HD1 LEU 76 -6.679 -27.325 -3.066 554 3HD1 LEU 76 2HD1 LEU 76 -4.937 -27.173 -2.837 555 1HD2 LEU 76 3HD2 LEU 76 -7.509 -25.434 -5.338 556 2HD2 LEU 76 2HD2 LEU 76 -6.091 -26.151 -6.103 557 3HD2 LEU 76 1HD2 LEU 76 -7.057 -27.100 -4.973 558 H LEU 77 H LEU 77 -5.633 -21.375 -3.138 559 HA LEU 77 HA LEU 77 -8.255 -20.234 -2.727 560 1HB LEU 77 2HB LEU 77 -5.683 -18.736 -2.261 561 2HB LEU 77 1HB LEU 77 -7.184 -18.665 -1.337 562 HG LEU 77 HG LEU 77 -5.142 -20.898 -1.399 563 1HD1 LEU 77 2HD1 LEU 77 -5.992 -18.788 0.477 564 2HD1 LEU 77 1HD1 LEU 77 -5.852 -20.388 1.204 565 3HD1 LEU 77 3HD1 LEU 77 -4.464 -19.666 0.389 566 1HD2 LEU 77 2HD2 LEU 77 -7.962 -20.913 -0.282 567 2HD2 LEU 77 1HD2 LEU 77 -7.343 -21.935 -1.579 568 3HD2 LEU 77 3HD2 LEU 77 -6.744 -22.139 0.067 569 H LYS 78 H LYS 78 -5.939 -19.921 -5.237 570 HA LYS 78 HA LYS 78 -6.737 -17.222 -6.036 571 1HB LYS 78 2HB LYS 78 -5.169 -19.369 -7.498 572 2HB LYS 78 1HB LYS 78 -5.384 -17.713 -8.069 573 1HG LYS 78 2HG LYS 78 -4.334 -16.898 -5.950 574 2HG LYS 78 1HG LYS 78 -4.024 -18.573 -5.497 575 1HD LYS 78 2HD LYS 78 -2.084 -17.365 -6.626 576 2HD LYS 78 1HD LYS 78 -2.553 -18.898 -7.360 577 1HE LYS 78 2HE LYS 78 -3.804 -17.757 -9.091 578 2HE LYS 78 1HE LYS 78 -3.568 -16.200 -8.297 579 1HZ LYS 78 1HZ LYS 78 -1.046 -17.148 -8.573 580 2HZ LYS 78 3HZ LYS 78 -1.790 -17.669 -10.006 581 3HZ LYS 78 2HZ LYS 78 -1.791 -16.019 -9.602 582 H ASP 79 H ASP 79 -7.687 -20.518 -6.750 583 HA ASP 79 HA ASP 79 -9.362 -19.681 -9.027 584 1HB ASP 79 2HB ASP 79 -8.570 -22.266 -7.767 585 2HB ASP 79 1HB ASP 79 -10.094 -22.224 -8.654 586 H VAL 80 H VAL 80 -9.829 -21.042 -5.773 587 HA VAL 80 HA VAL 80 -12.683 -20.999 -5.818 588 HB VAL 80 HB VAL 80 -11.043 -22.088 -4.117 589 1HG1 VAL 80 3HG1 VAL 80 -9.933 -19.948 -3.497 590 2HG1 VAL 80 2HG1 VAL 80 -11.456 -19.388 -2.808 591 3HG1 VAL 80 1HG1 VAL 80 -10.626 -20.775 -2.102 592 1HG2 VAL 80 2HG2 VAL 80 -13.692 -20.794 -3.560 593 2HG2 VAL 80 1HG2 VAL 80 -13.303 -22.507 -3.718 594 3HG2 VAL 80 3HG2 VAL 80 -12.851 -21.631 -2.255 595 H ALA 81 H ALA 81 -10.300 -18.620 -4.766 596 HA ALA 81 HA ALA 81 -11.992 -16.672 -3.664 597 1HB ALA 81 3HB ALA 81 -9.764 -16.098 -3.437 598 2HB ALA 81 2HB ALA 81 -9.366 -16.578 -5.087 599 3HB ALA 81 1HB ALA 81 -10.205 -15.055 -4.789 600 H LYS 82 H LYS 82 -11.336 -17.345 -7.081 601 HA LYS 82 HA LYS 82 -12.779 -15.006 -8.023 602 1HB LYS 82 2HB LYS 82 -12.003 -17.554 -9.475 603 2HB LYS 82 1HB LYS 82 -12.586 -16.077 -10.243 604 1HG LYS 82 2HG LYS 82 -10.649 -14.862 -9.155 605 2HG LYS 82 1HG LYS 82 -10.026 -16.437 -8.661 606 1HD LYS 82 2HD LYS 82 -9.978 -17.153 -11.029 607 2HD LYS 82 1HD LYS 82 -10.580 -15.568 -11.515 608 1HE LYS 82 2HE LYS 82 -8.461 -14.829 -9.984 609 2HE LYS 82 1HE LYS 82 -7.872 -16.368 -10.611 610 1HZ LYS 82 3HZ LYS 82 -9.148 -14.506 -12.475 611 2HZ LYS 82 2HZ LYS 82 -7.572 -14.154 -11.949 612 3HZ LYS 82 1HZ LYS 82 -7.897 -15.619 -12.746 613 H ILE 83 H ILE 83 -13.651 -18.240 -7.086 614 HA ILE 83 HA ILE 83 -16.086 -18.536 -8.516 615 HB ILE 83 HB ILE 83 -15.435 -19.483 -5.710 616 1HG1 ILE 83 2HG1 ILE 83 -14.892 -20.631 -8.455 617 2HG1 ILE 83 1HG1 ILE 83 -13.731 -20.296 -7.174 618 1HG2 ILE 83 2HG2 ILE 83 -17.838 -19.602 -6.308 619 2HG2 ILE 83 1HG2 ILE 83 -17.420 -20.509 -7.762 620 3HG2 ILE 83 3HG2 ILE 83 -17.123 -21.209 -6.170 621 1HD1 ILE 83 1HD1 ILE 83 -14.875 -22.016 -5.756 622 2HD1 ILE 83 3HD1 ILE 83 -15.906 -22.408 -7.131 623 3HD1 ILE 83 2HD1 ILE 83 -14.168 -22.691 -7.224 624 H PHE 84 H PHE 84 -15.361 -16.871 -5.482 625 HA PHE 84 HA PHE 84 -18.194 -16.029 -5.242 626 1HB PHE 84 2HB PHE 84 -15.795 -15.593 -3.438 627 2HB PHE 84 1HB PHE 84 -17.425 -15.018 -3.087 628 HD1 PHE 84 HD1 PHE 84 -15.309 -18.023 -3.527 629 HD2 PHE 84 HD2 PHE 84 -19.177 -16.533 -2.401 630 HE1 PHE 84 HE1 PHE 84 -15.895 -20.246 -2.599 631 HE2 PHE 84 HE2 PHE 84 -19.764 -18.756 -1.473 632 HZ PHE 84 HZ PHE 84 -18.122 -20.613 -1.573 No H/Q in entry = 632 Start of MODEL 21 1 H1 ALA 1 2H ALA 1 9.443 -18.425 -0.857 2 H2 ALA 1 1H ALA 1 8.816 -18.652 0.706 3 H3 ALA 1 3H ALA 1 8.778 -19.925 -0.415 4 HA ALA 1 HA ALA 1 7.148 -18.885 -1.729 5 1HB ALA 1 2HB ALA 1 5.327 -18.867 -0.238 6 2HB ALA 1 1HB ALA 1 6.519 -19.858 0.604 7 3HB ALA 1 3HB ALA 1 6.285 -18.172 1.069 8 H ASP 2 H ASP 2 8.773 -16.714 0.478 9 HA ASP 2 HA ASP 2 8.756 -14.361 0.623 10 1HB ASP 2 2HB ASP 2 8.503 -14.859 -2.356 11 2HB ASP 2 1HB ASP 2 8.830 -13.271 -1.658 12 H ASP 3 H ASP 3 6.201 -15.533 1.115 13 HA ASP 3 HA ASP 3 4.093 -14.344 -0.402 14 1HB ASP 3 2HB ASP 3 4.247 -15.312 2.460 15 2HB ASP 3 1HB ASP 3 2.756 -14.699 1.746 16 H HIS 4 H HIS 4 2.968 -12.387 -0.106 17 HA HIS 4 HA HIS 4 4.348 -10.410 1.662 18 1HB HIS 4 2HB HIS 4 2.865 -8.876 -0.040 19 2HB HIS 4 1HB HIS 4 4.544 -9.314 -0.330 20 HD1 HIS 4 HD1 HIS 4 1.220 -11.135 -0.857 21 HD2 HIS 4 HD2 HIS 4 4.752 -10.279 -2.898 22 HE1 HIS 4 HE1 HIS 4 1.013 -12.225 -3.133 23 HA PRO 5 HA PRO 5 0.632 -9.635 3.944 24 1HB PRO 5 2HB PRO 5 0.365 -6.942 3.905 25 2HB PRO 5 1HB PRO 5 1.597 -7.770 4.861 26 1HG PRO 5 2HG PRO 5 1.845 -6.447 2.181 27 2HG PRO 5 1HG PRO 5 2.932 -6.351 3.570 28 1HD PRO 5 1HD PRO 5 3.463 -7.957 1.477 29 2HD PRO 5 2HD PRO 5 3.893 -8.416 3.125 30 H GLN 6 H GLN 6 0.846 -8.352 0.712 31 HA GLN 6 HA GLN 6 -1.853 -7.455 0.406 32 1HB GLN 6 2HB GLN 6 0.348 -8.303 -1.445 33 2HB GLN 6 1HB GLN 6 -1.282 -8.126 -2.093 34 1HG GLN 6 2HG GLN 6 -1.396 -5.825 -1.410 35 2HG GLN 6 1HG GLN 6 0.078 -5.975 -0.454 36 1HE2 GLN 6 1HE2 GLN 6 2.038 -6.847 -1.928 37 2HE2 GLN 6 2HE2 GLN 6 2.188 -6.077 -3.433 38 H ASP 7 H ASP 7 -0.316 -10.616 0.062 39 HA ASP 7 HA ASP 7 -2.519 -11.974 -1.145 40 1HB ASP 7 2HB ASP 7 -0.171 -12.838 0.517 41 2HB ASP 7 1HB ASP 7 -1.447 -13.998 0.145 42 H LYS 8 H LYS 8 -1.638 -11.534 2.273 43 HA LYS 8 HA LYS 8 -3.643 -13.039 3.499 44 1HB LYS 8 2HB LYS 8 -2.222 -10.510 4.230 45 2HB LYS 8 1HB LYS 8 -3.600 -11.010 5.211 46 1HG LYS 8 2HG LYS 8 -2.413 -13.355 5.174 47 2HG LYS 8 1HG LYS 8 -0.978 -12.412 4.775 48 1HD LYS 8 2HD LYS 8 -1.575 -10.942 6.791 49 2HD LYS 8 1HD LYS 8 -2.709 -12.214 7.245 50 1HE LYS 8 2HE LYS 8 -1.044 -13.521 8.029 51 2HE LYS 8 1HE LYS 8 -0.103 -13.311 6.552 52 1HZ LYS 8 1HZ LYS 8 -0.240 -11.017 8.331 53 2HZ LYS 8 3HZ LYS 8 0.648 -12.344 8.901 54 3HZ LYS 8 2HZ LYS 8 1.066 -11.615 7.424 55 H ALA 9 H ALA 9 -3.899 -9.847 2.006 56 HA ALA 9 HA ALA 9 -6.517 -9.196 2.900 57 1HB ALA 9 2HB ALA 9 -5.313 -8.543 0.195 58 2HB ALA 9 1HB ALA 9 -6.613 -7.671 1.006 59 3HB ALA 9 3HB ALA 9 -4.979 -7.636 1.669 60 H GLU 10 H GLU 10 -5.427 -10.957 0.016 61 HA GLU 10 HA GLU 10 -8.084 -11.518 -0.953 62 1HB GLU 10 2HB GLU 10 -5.590 -13.174 -1.428 63 2HB GLU 10 1HB GLU 10 -7.020 -13.080 -2.455 64 1HG GLU 10 2HG GLU 10 -5.277 -10.685 -1.822 65 2HG GLU 10 1HG GLU 10 -5.046 -11.698 -3.248 66 H ARG 11 H ARG 11 -5.816 -13.257 1.125 67 HA ARG 11 HA ARG 11 -7.381 -15.646 1.414 68 1HB ARG 11 2HB ARG 11 -5.328 -14.367 3.239 69 2HB ARG 11 1HB ARG 11 -5.996 -15.979 3.479 70 1HG ARG 11 2HG ARG 11 -5.254 -16.324 0.967 71 2HG ARG 11 1HG ARG 11 -4.170 -14.981 1.317 72 1HD ARG 11 2HD ARG 11 -3.576 -16.371 3.458 73 2HD ARG 11 1HD ARG 11 -4.244 -17.724 2.543 74 HE ARG 11 HE ARG 11 -1.813 -16.187 1.826 75 1HH1 ARG 11 1HH1 ARG 11 -3.667 -17.058 -0.483 76 2HH1 ARG 11 2HH1 ARG 11 -2.907 -18.542 -0.952 77 1HH2 ARG 11 1HH2 ARG 11 -1.013 -18.793 1.942 78 2HH2 ARG 11 2HH2 ARG 11 -1.403 -19.524 0.421 79 H GLU 12 H GLU 12 -7.236 -12.632 3.249 80 HA GLU 12 HA GLU 12 -9.023 -13.426 5.340 81 1HB GLU 12 2HB GLU 12 -8.048 -10.808 4.256 82 2HB GLU 12 1HB GLU 12 -9.403 -10.812 5.382 83 1HG GLU 12 2HG GLU 12 -7.935 -12.312 6.874 84 2HG GLU 12 1HG GLU 12 -6.595 -11.826 5.835 85 H ARG 13 H ARG 13 -9.559 -11.892 2.190 86 HA ARG 13 HA ARG 13 -12.390 -11.489 2.583 87 1HB ARG 13 2HB ARG 13 -10.832 -11.789 -0.004 88 2HB ARG 13 1HB ARG 13 -12.462 -11.133 0.148 89 1HG ARG 13 2HG ARG 13 -11.690 -9.237 1.370 90 2HG ARG 13 1HG ARG 13 -10.108 -9.965 1.642 91 1HD ARG 13 2HD ARG 13 -9.737 -8.423 -0.116 92 2HD ARG 13 1HD ARG 13 -9.886 -9.978 -0.933 93 HE ARG 13 HE ARG 13 -12.345 -8.347 -0.680 94 1HH1 ARG 13 1HH1 ARG 13 -11.344 -10.723 -2.558 95 2HH1 ARG 13 2HH1 ARG 13 -11.376 -9.887 -4.074 96 1HH2 ARG 13 1HH2 ARG 13 -11.694 -6.746 -2.637 97 2HH2 ARG 13 2HH2 ARG 13 -11.574 -7.635 -4.119 98 H ILE 14 H ILE 14 -10.446 -14.092 1.181 99 HA ILE 14 HA ILE 14 -12.728 -15.651 0.315 100 HB ILE 14 HB ILE 14 -9.918 -16.598 0.952 101 1HG1 ILE 14 2HG1 ILE 14 -10.930 -15.920 -1.795 102 2HG1 ILE 14 1HG1 ILE 14 -10.300 -14.642 -0.757 103 1HG2 ILE 14 1HG2 ILE 14 -12.252 -17.740 -0.586 104 2HG2 ILE 14 3HG2 ILE 14 -10.599 -18.276 -0.887 105 3HG2 ILE 14 2HG2 ILE 14 -11.321 -18.495 0.707 106 1HD1 ILE 14 3HD1 ILE 14 -8.421 -16.675 -0.494 107 2HD1 ILE 14 2HD1 ILE 14 -8.861 -16.741 -2.200 108 3HD1 ILE 14 1HD1 ILE 14 -8.249 -15.240 -1.503 109 H PHE 15 H PHE 15 -10.588 -15.744 3.178 110 HA PHE 15 HA PHE 15 -11.919 -17.962 4.416 111 1HB PHE 15 2HB PHE 15 -9.691 -17.192 5.151 112 2HB PHE 15 1HB PHE 15 -10.398 -15.677 5.716 113 HD1 PHE 15 HD1 PHE 15 -10.232 -19.333 6.256 114 HD2 PHE 15 HD2 PHE 15 -11.728 -15.594 7.748 115 HE1 PHE 15 HE1 PHE 15 -10.842 -20.432 8.394 116 HE2 PHE 15 HE2 PHE 15 -12.335 -16.692 9.889 117 HZ PHE 15 HZ PHE 15 -11.895 -19.115 10.211 118 H LYS 16 H LYS 16 -12.474 -14.476 4.462 119 HA LYS 16 HA LYS 16 -14.474 -14.496 6.529 120 1HB LYS 16 2HB LYS 16 -13.755 -12.603 4.299 121 2HB LYS 16 1HB LYS 16 -15.217 -12.336 5.249 122 1HG LYS 16 2HG LYS 16 -13.793 -12.478 7.327 123 2HG LYS 16 1HG LYS 16 -12.374 -12.512 6.282 124 1HD LYS 16 2HD LYS 16 -13.351 -10.357 5.227 125 2HD LYS 16 1HD LYS 16 -14.374 -10.285 6.662 126 1HE LYS 16 2HE LYS 16 -11.987 -10.733 7.843 127 2HE LYS 16 1HE LYS 16 -11.439 -9.876 6.402 128 1HZ LYS 16 3HZ LYS 16 -13.421 -8.307 7.058 129 2HZ LYS 16 2HZ LYS 16 -13.114 -8.932 8.608 130 3HZ LYS 16 1HZ LYS 16 -11.885 -8.124 7.756 131 H ARG 17 H ARG 17 -14.513 -15.207 3.101 132 HA ARG 17 HA ARG 17 -17.373 -15.064 2.751 133 1HB ARG 17 2HB ARG 17 -15.132 -16.405 1.240 134 2HB ARG 17 1HB ARG 17 -16.816 -16.661 0.781 135 1HG ARG 17 2HG ARG 17 -16.951 -14.039 0.878 136 2HG ARG 17 1HG ARG 17 -15.199 -14.128 0.711 137 1HD ARG 17 2HD ARG 17 -15.618 -15.682 -1.282 138 2HD ARG 17 1HD ARG 17 -17.305 -15.174 -1.191 139 HE ARG 17 HE ARG 17 -16.548 -12.870 -1.675 140 1HH1 ARG 17 1HH1 ARG 17 -13.855 -14.884 -1.286 141 2HH1 ARG 17 2HH1 ARG 17 -12.979 -14.247 -2.639 142 1HH2 ARG 17 1HH2 ARG 17 -15.604 -12.270 -3.746 143 2HH2 ARG 17 2HH2 ARG 17 -13.969 -12.768 -4.031 144 H PHE 18 H PHE 18 -15.123 -17.643 3.659 145 HA PHE 18 HA PHE 18 -17.102 -19.739 3.686 146 1HB PHE 18 2HB PHE 18 -14.381 -19.427 4.947 147 2HB PHE 18 1HB PHE 18 -15.375 -20.854 5.243 148 HD1 PHE 18 HD1 PHE 18 -16.064 -22.317 3.338 149 HD2 PHE 18 HD2 PHE 18 -13.288 -19.077 2.839 150 HE1 PHE 18 HE1 PHE 18 -15.337 -23.274 1.168 151 HE2 PHE 18 HE2 PHE 18 -12.560 -20.036 0.670 152 HZ PHE 18 HZ PHE 18 -13.585 -22.133 -0.165 153 H ASP 19 H ASP 19 -15.650 -17.803 6.310 154 HA ASP 19 HA ASP 19 -17.177 -18.853 8.440 155 1HB ASP 19 2HB ASP 19 -15.254 -17.064 8.430 156 2HB ASP 19 1HB ASP 19 -16.579 -15.905 8.297 157 H ALA 20 H ALA 20 -19.374 -19.162 8.125 158 HA ALA 20 HA ALA 20 -21.041 -17.387 6.620 159 1HB ALA 20 2HB ALA 20 -21.581 -19.624 8.564 160 2HB ALA 20 3HB ALA 20 -21.821 -19.601 6.817 161 3HB ALA 20 1HB ALA 20 -22.899 -18.682 7.869 162 H ASN 21 H ASN 21 -20.806 -17.849 10.192 163 HA ASN 21 HA ASN 21 -22.497 -15.463 10.539 164 1HB ASN 21 2HB ASN 21 -22.427 -15.959 12.914 165 2HB ASN 21 1HB ASN 21 -22.757 -17.445 12.031 166 1HD2 ASN 21 1HD2 ASN 21 -21.549 -17.172 14.706 167 2HD2 ASN 21 2HD2 ASN 21 -20.023 -17.900 14.618 168 H GLY 22 H GLY 22 -19.122 -16.317 10.658 169 1HA GLY 22 1HA GLY 22 -18.473 -13.447 10.896 170 2HA GLY 22 2HA GLY 22 -17.340 -14.726 10.471 171 H ASP 23 H ASP 23 -17.891 -16.458 12.686 172 HA ASP 23 HA ASP 23 -17.271 -14.786 15.057 173 1HB ASP 23 2HB ASP 23 -17.545 -16.857 16.365 174 2HB ASP 23 1HB ASP 23 -18.956 -16.557 15.354 175 H GLY 24 H GLY 24 -15.530 -15.910 12.593 176 1HA GLY 24 1HA GLY 24 -13.093 -16.093 14.255 177 2HA GLY 24 2HA GLY 24 -13.134 -15.842 12.512 178 H LYS 25 H LYS 25 -15.255 -18.337 13.353 179 HA LYS 25 HA LYS 25 -13.168 -20.339 12.618 180 1HB LYS 25 2HB LYS 25 -14.095 -21.917 14.206 181 2HB LYS 25 1HB LYS 25 -13.758 -20.415 15.066 182 1HG LYS 25 2HG LYS 25 -16.059 -19.786 15.054 183 2HG LYS 25 1HG LYS 25 -16.469 -21.038 13.879 184 1HD LYS 25 2HD LYS 25 -15.623 -22.717 15.646 185 2HD LYS 25 1HD LYS 25 -15.714 -21.372 16.785 186 1HE LYS 25 2HE LYS 25 -17.797 -22.844 16.642 187 2HE LYS 25 1HE LYS 25 -18.066 -21.113 16.436 188 1HZ LYS 25 2HZ LYS 25 -17.491 -22.676 14.040 189 2HZ LYS 25 1HZ LYS 25 -19.019 -22.888 14.753 190 3HZ LYS 25 3HZ LYS 25 -18.527 -21.346 14.247 191 H ILE 26 H ILE 26 -13.823 -21.926 11.196 192 HA ILE 26 HA ILE 26 -16.586 -21.629 10.088 193 HB ILE 26 HB ILE 26 -14.274 -22.882 8.617 194 1HG1 ILE 26 2HG1 ILE 26 -14.992 -19.940 8.785 195 2HG1 ILE 26 1HG1 ILE 26 -13.477 -20.682 9.298 196 1HG2 ILE 26 2HG2 ILE 26 -16.627 -23.122 7.788 197 2HG2 ILE 26 1HG2 ILE 26 -16.729 -21.364 7.682 198 3HG2 ILE 26 3HG2 ILE 26 -15.587 -22.244 6.666 199 1HD1 ILE 26 1HD1 ILE 26 -14.150 -21.377 6.548 200 2HD1 ILE 26 3HD1 ILE 26 -14.023 -19.632 6.770 201 3HD1 ILE 26 2HD1 ILE 26 -12.664 -20.675 7.190 202 H SER 27 H SER 27 -17.882 -23.410 10.124 203 HA SER 27 HA SER 27 -16.693 -25.941 11.157 204 1HB SER 27 2HB SER 27 -18.783 -26.445 12.107 205 2HB SER 27 1HB SER 27 -18.675 -24.698 12.320 206 HG SER 27 HG SER 27 -20.503 -24.717 11.289 207 H ALA 28 H ALA 28 -17.826 -27.962 10.234 208 HA ALA 28 HA ALA 28 -17.443 -28.153 7.469 209 1HB ALA 28 3HB ALA 28 -19.467 -29.732 9.084 210 2HB ALA 28 1HB ALA 28 -17.745 -30.103 9.005 211 3HB ALA 28 2HB ALA 28 -18.740 -30.223 7.554 212 H ALA 29 H ALA 29 -20.472 -27.515 9.221 213 HA ALA 29 HA ALA 29 -22.184 -27.334 6.985 214 1HB ALA 29 1HB ALA 29 -22.232 -26.477 9.780 215 2HB ALA 29 2HB ALA 29 -23.549 -27.075 8.771 216 3HB ALA 29 3HB ALA 29 -23.106 -25.369 8.722 217 H GLU 30 H GLU 30 -20.096 -24.861 8.457 218 HA GLU 30 HA GLU 30 -20.947 -22.793 6.612 219 1HB GLU 30 2HB GLU 30 -18.518 -22.999 8.413 220 2HB GLU 30 1HB GLU 30 -18.962 -21.554 7.506 221 1HG GLU 30 2HG GLU 30 -21.154 -21.519 8.676 222 2HG GLU 30 1HG GLU 30 -20.664 -22.931 9.609 223 H LEU 31 H LEU 31 -17.921 -24.686 6.899 224 HA LEU 31 HA LEU 31 -16.755 -23.755 4.482 225 1HB LEU 31 2HB LEU 31 -15.704 -25.163 6.375 226 2HB LEU 31 1HB LEU 31 -16.418 -26.557 5.570 227 HG LEU 31 HG LEU 31 -14.717 -24.589 4.039 228 1HD1 LEU 31 3HD1 LEU 31 -13.739 -25.928 6.231 229 2HD1 LEU 31 2HD1 LEU 31 -13.421 -27.084 4.936 230 3HD1 LEU 31 1HD1 LEU 31 -12.767 -25.448 4.838 231 1HD2 LEU 31 2HD2 LEU 31 -16.198 -26.905 3.391 232 2HD2 LEU 31 1HD2 LEU 31 -15.060 -26.043 2.354 233 3HD2 LEU 31 3HD2 LEU 31 -14.503 -27.388 3.347 234 H GLY 32 H GLY 32 -18.800 -26.589 5.136 235 1HA GLY 32 1HA GLY 32 -20.075 -27.912 3.685 236 2HA GLY 32 2HA GLY 32 -18.838 -27.596 2.473 237 H GLU 33 H GLU 33 -20.996 -25.308 4.134 238 HA GLU 33 HA GLU 33 -22.856 -24.959 2.036 239 1HB GLU 33 2HB GLU 33 -21.906 -23.221 4.293 240 2HB GLU 33 1HB GLU 33 -23.023 -22.573 3.096 241 1HG GLU 33 2HG GLU 33 -23.643 -25.243 4.289 242 2HG GLU 33 1HG GLU 33 -23.914 -23.811 5.282 243 H ALA 34 H ALA 34 -19.741 -23.345 2.617 244 HA ALA 34 HA ALA 34 -20.034 -21.557 0.355 245 1HB ALA 34 2HB ALA 34 -18.461 -20.795 1.919 246 2HB ALA 34 3HB ALA 34 -17.430 -21.474 0.659 247 3HB ALA 34 1HB ALA 34 -17.751 -22.396 2.127 248 H LEU 35 H LEU 35 -18.528 -24.711 0.887 249 HA LEU 35 HA LEU 35 -17.241 -24.975 -1.618 250 1HB LEU 35 2HB LEU 35 -18.381 -26.962 0.337 251 2HB LEU 35 1HB LEU 35 -17.652 -27.492 -1.175 252 HG LEU 35 HG LEU 35 -16.329 -25.871 1.014 253 1HD1 LEU 35 1HD1 LEU 35 -16.263 -28.702 0.101 254 2HD1 LEU 35 3HD1 LEU 35 -14.717 -27.984 0.549 255 3HD1 LEU 35 2HD1 LEU 35 -16.035 -28.038 1.718 256 1HD2 LEU 35 2HD2 LEU 35 -15.552 -26.428 -1.834 257 2HD2 LEU 35 1HD2 LEU 35 -15.376 -24.939 -0.904 258 3HD2 LEU 35 3HD2 LEU 35 -14.296 -26.302 -0.603 259 H LYS 36 H LYS 36 -20.636 -25.443 -0.720 260 HA LYS 36 HA LYS 36 -21.628 -26.954 -2.804 261 1HB LYS 36 2HB LYS 36 -22.666 -24.818 -1.112 262 2HB LYS 36 1HB LYS 36 -23.420 -24.817 -2.706 263 1HG LYS 36 2HG LYS 36 -24.033 -27.157 -2.476 264 2HG LYS 36 1HG LYS 36 -23.141 -27.280 -0.959 265 1HD LYS 36 2HD LYS 36 -24.830 -25.123 -0.523 266 2HD LYS 36 1HD LYS 36 -25.832 -26.232 -1.459 267 1HE LYS 36 2HE LYS 36 -24.470 -27.856 0.386 268 2HE LYS 36 1HE LYS 36 -24.968 -26.436 1.305 269 1HZ LYS 36 2HZ LYS 36 -26.756 -28.055 -0.427 270 2HZ LYS 36 1HZ LYS 36 -26.675 -28.171 1.266 271 3HZ LYS 36 3HZ LYS 36 -27.217 -26.737 0.540 272 H THR 37 H THR 37 -20.272 -23.730 -3.009 273 HA THR 37 HA THR 37 -21.266 -22.871 -5.491 274 HB THR 37 HB THR 37 -19.663 -21.660 -3.880 275 HG1 THR 37 HG1 THR 37 -19.065 -21.636 -6.651 276 1HG2 THR 37 3HG2 THR 37 -17.957 -23.489 -3.895 277 2HG2 THR 37 2HG2 THR 37 -17.610 -23.099 -5.579 278 3HG2 THR 37 1HG2 THR 37 -17.287 -21.913 -4.315 279 H LEU 38 H LEU 38 -18.984 -25.403 -4.753 280 HA LEU 38 HA LEU 38 -17.720 -25.691 -7.279 281 1HB LEU 38 2HB LEU 38 -18.491 -27.781 -5.222 282 2HB LEU 38 1HB LEU 38 -17.450 -28.102 -6.609 283 HG LEU 38 HG LEU 38 -16.930 -26.209 -4.305 284 1HD1 LEU 38 1HD1 LEU 38 -16.332 -28.875 -4.632 285 2HD1 LEU 38 3HD1 LEU 38 -14.871 -28.096 -5.242 286 3HD1 LEU 38 2HD1 LEU 38 -15.428 -27.763 -3.602 287 1HD2 LEU 38 3HD2 LEU 38 -15.714 -26.366 -7.051 288 2HD2 LEU 38 2HD2 LEU 38 -16.146 -24.939 -6.109 289 3HD2 LEU 38 1HD2 LEU 38 -14.719 -25.884 -5.677 290 H GLY 39 H GLY 39 -20.885 -26.719 -6.131 291 1HA GLY 39 1HA GLY 39 -21.867 -26.982 -8.844 292 2HA GLY 39 2HA GLY 39 -22.774 -27.356 -7.380 293 H SER 40 H SER 40 -19.958 -29.012 -7.041 294 HA SER 40 HA SER 40 -21.236 -31.536 -7.832 295 1HB SER 40 2HB SER 40 -19.112 -30.249 -9.417 296 2HB SER 40 1HB SER 40 -18.774 -31.927 -8.987 297 HG SER 40 HG SER 40 -19.975 -32.181 -10.735 298 H ILE 41 H ILE 41 -20.775 -30.973 -5.281 299 HA ILE 41 HA ILE 41 -18.394 -32.636 -4.639 300 HB ILE 41 HB ILE 41 -18.052 -30.044 -4.377 301 1HG1 ILE 41 2HG1 ILE 41 -17.443 -31.828 -2.010 302 2HG1 ILE 41 1HG1 ILE 41 -16.578 -31.933 -3.542 303 1HG2 ILE 41 1HG2 ILE 41 -20.310 -30.196 -2.886 304 2HG2 ILE 41 3HG2 ILE 41 -19.098 -30.419 -1.624 305 3HG2 ILE 41 2HG2 ILE 41 -19.069 -28.969 -2.629 306 1HD1 ILE 41 1HD1 ILE 41 -16.732 -29.177 -2.703 307 2HD1 ILE 41 3HD1 ILE 41 -16.065 -30.158 -1.398 308 3HD1 ILE 41 2HD1 ILE 41 -15.300 -30.165 -2.987 309 H THR 42 H THR 42 -18.510 -33.337 -2.261 310 HA THR 42 HA THR 42 -21.367 -33.710 -1.454 311 HB THR 42 HB THR 42 -21.100 -35.963 -1.343 312 HG1 THR 42 HG1 THR 42 -19.904 -36.552 0.247 313 1HG2 THR 42 1HG2 THR 42 -19.959 -35.496 -3.500 314 2HG2 THR 42 3HG2 THR 42 -18.418 -35.414 -2.644 315 3HG2 THR 42 2HG2 THR 42 -19.313 -36.933 -2.708 316 HA PRO 43 HA PRO 43 -20.215 -32.295 2.579 317 1HB PRO 43 2HB PRO 43 -21.453 -34.034 4.241 318 2HB PRO 43 1HB PRO 43 -22.327 -32.804 3.324 319 1HG PRO 43 2HG PRO 43 -21.965 -35.718 2.724 320 2HG PRO 43 1HG PRO 43 -23.424 -34.729 2.593 321 1HD PRO 43 1HD PRO 43 -21.923 -35.358 0.435 322 2HD PRO 43 2HD PRO 43 -22.780 -33.820 0.562 323 H ASP 44 H ASP 44 -19.823 -35.755 1.969 324 HA ASP 44 HA ASP 44 -18.070 -36.326 4.142 325 1HB ASP 44 2HB ASP 44 -18.359 -37.601 1.412 326 2HB ASP 44 1HB ASP 44 -17.330 -38.257 2.686 327 H GLU 45 H GLU 45 -17.480 -34.800 1.020 328 HA GLU 45 HA GLU 45 -14.577 -35.106 1.248 329 1HB GLU 45 2HB GLU 45 -16.307 -33.422 -0.592 330 2HB GLU 45 1HB GLU 45 -14.553 -33.553 -0.720 331 1HG GLU 45 2HG GLU 45 -14.780 -36.012 -1.005 332 2HG GLU 45 1HG GLU 45 -16.533 -35.841 -0.941 333 H VAL 46 H VAL 46 -17.033 -32.669 1.890 334 HA VAL 46 HA VAL 46 -15.224 -30.519 2.487 335 HB VAL 46 HB VAL 46 -18.051 -31.075 3.421 336 1HG1 VAL 46 3HG1 VAL 46 -16.120 -29.119 4.319 337 2HG1 VAL 46 2HG1 VAL 46 -17.463 -28.311 3.511 338 3HG1 VAL 46 1HG1 VAL 46 -17.772 -29.379 4.881 339 1HG2 VAL 46 1HG2 VAL 46 -16.938 -30.233 0.945 340 2HG2 VAL 46 3HG2 VAL 46 -18.643 -30.302 1.392 341 3HG2 VAL 46 2HG2 VAL 46 -17.719 -28.825 1.664 342 H LYS 47 H LYS 47 -16.583 -33.152 4.372 343 HA LYS 47 HA LYS 47 -15.670 -32.206 6.941 344 1HB LYS 47 2HB LYS 47 -17.402 -33.924 6.809 345 2HB LYS 47 1HB LYS 47 -16.293 -35.013 5.974 346 1HG LYS 47 2HG LYS 47 -14.805 -34.995 7.960 347 2HG LYS 47 1HG LYS 47 -15.953 -33.947 8.796 348 1HD LYS 47 2HD LYS 47 -16.519 -36.116 9.547 349 2HD LYS 47 1HD LYS 47 -17.699 -35.790 8.278 350 1HE LYS 47 2HE LYS 47 -15.614 -36.864 6.845 351 2HE LYS 47 1HE LYS 47 -15.516 -37.771 8.354 352 1HZ LYS 47 1HZ LYS 47 -18.145 -37.384 7.117 353 2HZ LYS 47 3HZ LYS 47 -17.096 -38.528 6.434 354 3HZ LYS 47 2HZ LYS 47 -17.571 -38.677 8.058 355 H HIS 48 H HIS 48 -14.264 -34.249 4.428 356 HA HIS 48 HA HIS 48 -11.923 -35.004 5.923 357 1HB HIS 48 2HB HIS 48 -12.642 -36.190 3.877 358 2HB HIS 48 1HB HIS 48 -12.295 -34.748 2.923 359 HD1 HIS 48 HD1 HIS 48 -10.314 -35.662 1.595 360 HD2 HIS 48 HD2 HIS 48 -9.828 -36.086 5.714 361 HE1 HIS 48 HE1 HIS 48 -7.917 -36.390 1.961 362 H MET 49 H MET 49 -12.683 -32.258 3.792 363 HA MET 49 HA MET 49 -10.046 -31.186 3.652 364 1HB MET 49 2HB MET 49 -12.806 -30.013 3.406 365 2HB MET 49 1HB MET 49 -11.387 -28.970 3.383 366 1HG MET 49 2HG MET 49 -10.482 -30.632 1.593 367 2HG MET 49 1HG MET 49 -12.164 -31.137 1.442 368 1HE MET 49 1HE MET 49 -11.995 -30.638 -0.943 369 2HE MET 49 3HE MET 49 -13.596 -30.096 -0.422 370 3HE MET 49 2HE MET 49 -12.661 -29.127 -1.557 371 H MET 50 H MET 50 -12.721 -30.562 5.909 372 HA MET 50 HA MET 50 -11.339 -28.665 7.527 373 1HB MET 50 2HB MET 50 -13.680 -30.496 7.936 374 2HB MET 50 1HB MET 50 -12.999 -29.647 9.322 375 1HG MET 50 2HG MET 50 -13.160 -27.522 7.865 376 2HG MET 50 1HG MET 50 -14.218 -28.474 6.823 377 1HE MET 50 2HE MET 50 -13.347 -26.946 9.950 378 2HE MET 50 1HE MET 50 -14.831 -26.645 10.851 379 3HE MET 50 3HE MET 50 -13.996 -28.195 11.010 380 H ALA 51 H ALA 51 -11.717 -32.188 7.869 381 HA ALA 51 HA ALA 51 -10.174 -32.484 10.234 382 1HB ALA 51 3HB ALA 51 -11.140 -34.502 9.782 383 2HB ALA 51 1HB ALA 51 -9.647 -34.802 8.893 384 3HB ALA 51 2HB ALA 51 -11.086 -34.247 8.038 385 H GLU 52 H GLU 52 -9.231 -31.718 7.007 386 HA GLU 52 HA GLU 52 -6.400 -32.454 7.548 387 1HB GLU 52 2HB GLU 52 -7.946 -31.675 5.086 388 2HB GLU 52 1HB GLU 52 -6.190 -31.519 5.107 389 1HG GLU 52 2HG GLU 52 -6.216 -33.966 6.000 390 2HG GLU 52 1HG GLU 52 -7.865 -34.009 5.379 391 H ILE 53 H ILE 53 -8.492 -29.678 6.977 392 HA ILE 53 HA ILE 53 -6.283 -27.765 7.095 393 HB ILE 53 HB ILE 53 -9.285 -27.370 7.180 394 1HG1 ILE 53 2HG1 ILE 53 -7.317 -27.073 4.898 395 2HG1 ILE 53 1HG1 ILE 53 -8.401 -28.445 5.110 396 1HG2 ILE 53 1HG2 ILE 53 -7.962 -25.497 8.142 397 2HG2 ILE 53 3HG2 ILE 53 -7.050 -25.396 6.636 398 3HG2 ILE 53 2HG2 ILE 53 -8.778 -25.041 6.645 399 1HD1 ILE 53 3HD1 ILE 53 -9.336 -25.571 4.898 400 2HD1 ILE 53 2HD1 ILE 53 -9.289 -26.693 3.539 401 3HD1 ILE 53 1HD1 ILE 53 -10.345 -27.017 4.914 402 H ASP 54 H ASP 54 -8.705 -29.076 9.290 403 HA ASP 54 HA ASP 54 -8.493 -27.190 11.394 404 1HB ASP 54 2HB ASP 54 -10.051 -29.283 11.022 405 2HB ASP 54 1HB ASP 54 -8.796 -30.131 11.913 406 H THR 55 H THR 55 -6.415 -26.566 11.957 407 HA THR 55 HA THR 55 -4.185 -28.388 12.097 408 HB THR 55 HB THR 55 -2.989 -26.498 13.118 409 HG1 THR 55 HG1 THR 55 -4.066 -25.048 14.159 410 1HG2 THR 55 2HG2 THR 55 -4.859 -25.709 10.866 411 2HG2 THR 55 1HG2 THR 55 -3.389 -24.839 11.308 412 3HG2 THR 55 3HG2 THR 55 -3.286 -26.488 10.689 413 H ASP 56 H ASP 56 -6.163 -26.844 14.626 414 HA ASP 56 HA ASP 56 -4.811 -28.461 16.687 415 1HB ASP 56 2HB ASP 56 -6.697 -27.330 18.141 416 2HB ASP 56 1HB ASP 56 -5.325 -26.374 17.581 417 H GLY 57 H GLY 57 -7.840 -28.461 14.913 418 1HA GLY 57 1HA GLY 57 -8.361 -31.174 15.969 419 2HA GLY 57 2HA GLY 57 -9.150 -30.447 14.573 420 H ASP 58 H ASP 58 -9.710 -27.932 16.143 421 HA ASP 58 HA ASP 58 -11.477 -28.840 18.305 422 1HB ASP 58 2HB ASP 58 -12.183 -26.323 18.197 423 2HB ASP 58 1HB ASP 58 -10.578 -26.735 18.797 424 H GLY 59 H GLY 59 -11.737 -28.872 15.003 425 1HA GLY 59 1HA GLY 59 -14.702 -28.928 15.206 426 2HA GLY 59 2HA GLY 59 -13.752 -29.697 13.938 427 H PHE 60 H PHE 60 -12.585 -26.584 14.563 428 HA PHE 60 HA PHE 60 -14.080 -25.574 12.186 429 1HB PHE 60 2HB PHE 60 -13.369 -23.859 14.570 430 2HB PHE 60 1HB PHE 60 -14.381 -23.425 13.193 431 HD1 PHE 60 HD1 PHE 60 -16.611 -24.463 12.892 432 HD2 PHE 60 HD2 PHE 60 -14.228 -25.174 16.392 433 HE1 PHE 60 HE1 PHE 60 -18.606 -25.333 14.072 434 HE2 PHE 60 HE2 PHE 60 -16.225 -26.043 17.574 435 HZ PHE 60 HZ PHE 60 -18.416 -26.125 16.415 436 H ILE 61 H ILE 61 -12.978 -23.917 10.959 437 HA ILE 61 HA ILE 61 -10.029 -24.024 11.303 438 HB ILE 61 HB ILE 61 -11.558 -23.191 8.832 439 1HG1 ILE 61 2HG1 ILE 61 -12.181 -25.504 9.447 440 2HG1 ILE 61 1HG1 ILE 61 -11.183 -25.478 7.993 441 1HG2 ILE 61 3HG2 ILE 61 -9.170 -22.516 9.034 442 2HG2 ILE 61 2HG2 ILE 61 -8.731 -24.210 9.248 443 3HG2 ILE 61 1HG2 ILE 61 -9.427 -23.666 7.722 444 1HD1 ILE 61 2HD1 ILE 61 -9.176 -25.855 9.527 445 2HD1 ILE 61 1HD1 ILE 61 -10.337 -26.192 10.811 446 3HD1 ILE 61 3HD1 ILE 61 -10.288 -27.217 9.374 447 H SER 62 H SER 62 -9.038 -22.115 11.857 448 HA SER 62 HA SER 62 -10.718 -19.674 11.968 449 1HB SER 62 2HB SER 62 -8.438 -18.878 13.121 450 2HB SER 62 1HB SER 62 -9.648 -19.799 14.015 451 HG SER 62 HG SER 62 -8.049 -21.122 14.318 452 H PHE 63 H PHE 63 -9.534 -17.598 11.305 453 HA PHE 63 HA PHE 63 -8.801 -17.717 8.582 454 1HB PHE 63 2HB PHE 63 -9.446 -15.607 9.696 455 2HB PHE 63 1HB PHE 63 -7.948 -15.643 10.628 456 HD1 PHE 63 HD1 PHE 63 -8.834 -16.288 7.043 457 HD2 PHE 63 HD2 PHE 63 -6.381 -14.116 9.817 458 HE1 PHE 63 HE1 PHE 63 -7.634 -15.232 5.151 459 HE2 PHE 63 HE2 PHE 63 -5.175 -13.062 7.925 460 HZ PHE 63 HZ PHE 63 -5.806 -13.618 5.590 461 H GLN 64 H GLN 64 -6.781 -17.715 11.491 462 HA GLN 64 HA GLN 64 -4.250 -17.696 10.193 463 1HB GLN 64 2HB GLN 64 -4.680 -17.391 12.661 464 2HB GLN 64 1HB GLN 64 -4.964 -19.128 12.768 465 1HG GLN 64 2HG GLN 64 -2.636 -18.624 13.364 466 2HG GLN 64 1HG GLN 64 -2.685 -19.533 11.852 467 1HE2 GLN 64 1HE2 GLN 64 -1.214 -18.674 10.386 468 2HE2 GLN 64 2HE2 GLN 64 -0.876 -17.021 10.193 469 H GLU 65 H GLU 65 -6.249 -20.450 11.316 470 HA GLU 65 HA GLU 65 -4.539 -22.516 10.383 471 1HB GLU 65 2HB GLU 65 -7.483 -22.309 10.921 472 2HB GLU 65 1HB GLU 65 -6.843 -23.760 10.162 473 1HG GLU 65 2HG GLU 65 -5.285 -24.077 12.032 474 2HG GLU 65 1HG GLU 65 -5.865 -22.591 12.784 475 H PHE 66 H PHE 66 -7.258 -20.873 8.784 476 HA PHE 66 HA PHE 66 -7.076 -22.312 6.318 477 1HB PHE 66 2HB PHE 66 -9.030 -20.918 6.994 478 2HB PHE 66 1HB PHE 66 -8.043 -19.474 6.769 479 HD1 PHE 66 HD1 PHE 66 -7.231 -18.841 4.512 480 HD2 PHE 66 HD2 PHE 66 -9.887 -22.163 5.111 481 HE1 PHE 66 HE1 PHE 66 -7.764 -18.853 2.089 482 HE2 PHE 66 HE2 PHE 66 -10.420 -22.175 2.689 483 HZ PHE 66 HZ PHE 66 -9.358 -20.520 1.179 484 H THR 67 H THR 67 -5.463 -19.415 7.525 485 HA THR 67 HA THR 67 -4.242 -18.651 5.039 486 HB THR 67 HB THR 67 -3.388 -18.167 7.909 487 HG1 THR 67 HG1 THR 67 -4.639 -16.470 7.775 488 1HG2 THR 67 2HG2 THR 67 -2.418 -16.883 5.341 489 2HG2 THR 67 1HG2 THR 67 -1.969 -16.379 6.971 490 3HG2 THR 67 3HG2 THR 67 -1.477 -17.964 6.370 491 H ASP 68 H ASP 68 -3.029 -20.573 7.800 492 HA ASP 68 HA ASP 68 -0.482 -21.168 6.683 493 1HB ASP 68 2HB ASP 68 -2.207 -22.786 8.581 494 2HB ASP 68 1HB ASP 68 -0.514 -23.136 8.233 495 H PHE 69 H PHE 69 -3.642 -22.685 6.233 496 HA PHE 69 HA PHE 69 -2.552 -24.887 4.662 497 1HB PHE 69 2HB PHE 69 -4.520 -25.586 5.636 498 2HB PHE 69 1HB PHE 69 -5.227 -23.974 5.606 499 HD1 PHE 69 HD1 PHE 69 -5.887 -23.022 3.305 500 HD2 PHE 69 HD2 PHE 69 -5.165 -27.187 4.041 501 HE1 PHE 69 HE1 PHE 69 -7.171 -23.606 1.258 502 HE2 PHE 69 HE2 PHE 69 -6.440 -27.774 1.998 503 HZ PHE 69 HZ PHE 69 -7.447 -25.983 0.606 504 H GLY 70 H GLY 70 -4.110 -21.770 4.058 505 1HA GLY 70 1HA GLY 70 -4.226 -20.486 2.096 506 2HA GLY 70 2HA GLY 70 -4.490 -22.015 1.255 507 H ARG 71 H ARG 71 -1.614 -21.485 3.162 508 HA ARG 71 HA ARG 71 0.059 -20.564 0.981 509 1HB ARG 71 2HB ARG 71 0.685 -21.804 3.673 510 2HB ARG 71 1HB ARG 71 1.935 -21.274 2.548 511 1HG ARG 71 2HG ARG 71 0.905 -18.998 2.545 512 2HG ARG 71 1HG ARG 71 -0.242 -19.549 3.766 513 1HD ARG 71 2HD ARG 71 2.775 -19.398 4.033 514 2HD ARG 71 1HD ARG 71 1.583 -18.435 4.906 515 HE ARG 71 HE ARG 71 1.024 -21.164 5.436 516 1HH1 ARG 71 1HH1 ARG 71 3.990 -21.378 5.547 517 2HH1 ARG 71 2HH1 ARG 71 4.335 -20.949 7.189 518 1HH2 ARG 71 1HH2 ARG 71 1.236 -19.493 7.739 519 2HH2 ARG 71 2HH2 ARG 71 2.776 -19.881 8.430 520 H ALA 72 H ALA 72 -0.874 -23.684 2.281 521 HA ALA 72 HA ALA 72 1.085 -25.267 0.895 522 1HB ALA 72 2HB ALA 72 0.110 -26.726 2.322 523 2HB ALA 72 3HB ALA 72 -1.193 -26.858 1.142 524 3HB ALA 72 1HB ALA 72 -1.328 -25.716 2.480 525 H ASN 73 H ASN 73 -1.800 -23.652 -0.120 526 HA ASN 73 HA ASN 73 -1.337 -24.575 -2.882 527 1HB ASN 73 2HB ASN 73 -4.154 -24.769 -1.864 528 2HB ASN 73 1HB ASN 73 -3.402 -25.597 -3.228 529 1HD2 ASN 73 1HD2 ASN 73 -4.235 -25.899 0.099 530 2HD2 ASN 73 2HD2 ASN 73 -3.401 -27.344 0.408 531 H ARG 74 H ARG 74 -0.794 -22.089 -2.137 532 HA ARG 74 HA ARG 74 -2.775 -20.140 -1.902 533 1HB ARG 74 2HB ARG 74 -1.209 -18.593 -3.018 534 2HB ARG 74 1HB ARG 74 -0.352 -19.630 -1.877 535 1HG ARG 74 2HG ARG 74 0.245 -21.150 -3.764 536 2HG ARG 74 1HG ARG 74 -0.531 -20.026 -4.881 537 1HD ARG 74 2HD ARG 74 1.851 -19.450 -3.092 538 2HD ARG 74 1HD ARG 74 1.860 -19.570 -4.851 539 HE ARG 74 HE ARG 74 0.200 -17.468 -3.542 540 1HH1 ARG 74 1HH1 ARG 74 3.323 -18.018 -4.660 541 2HH1 ARG 74 2HH1 ARG 74 3.358 -16.671 -5.748 542 1HH2 ARG 74 1HH2 ARG 74 -0.003 -15.919 -5.345 543 2HH2 ARG 74 2HH2 ARG 74 1.475 -15.482 -6.135 544 H GLY 75 H GLY 75 -1.768 -21.942 -4.741 545 1HA GLY 75 1HA GLY 75 -2.746 -22.148 -6.846 546 2HA GLY 75 2HA GLY 75 -3.146 -20.434 -6.721 547 H LEU 76 H LEU 76 -4.238 -22.852 -4.419 548 HA LEU 76 HA LEU 76 -6.804 -23.356 -5.604 549 1HB LEU 76 2HB LEU 76 -5.809 -23.570 -2.752 550 2HB LEU 76 1HB LEU 76 -7.426 -24.073 -3.246 551 HG LEU 76 HG LEU 76 -4.828 -25.134 -4.402 552 1HD1 LEU 76 3HD1 LEU 76 -6.022 -25.753 -1.973 553 2HD1 LEU 76 2HD1 LEU 76 -6.651 -26.993 -3.058 554 3HD1 LEU 76 1HD1 LEU 76 -4.910 -26.794 -2.863 555 1HD2 LEU 76 2HD2 LEU 76 -7.541 -25.139 -5.366 556 2HD2 LEU 76 1HD2 LEU 76 -6.110 -25.855 -6.108 557 3HD2 LEU 76 3HD2 LEU 76 -7.067 -26.789 -4.960 558 H LEU 77 H LEU 77 -5.735 -21.055 -3.115 559 HA LEU 77 HA LEU 77 -8.366 -19.925 -2.732 560 1HB LEU 77 2HB LEU 77 -5.819 -18.416 -2.185 561 2HB LEU 77 1HB LEU 77 -7.332 -18.399 -1.278 562 HG LEU 77 HG LEU 77 -5.251 -20.595 -1.378 563 1HD1 LEU 77 1HD1 LEU 77 -6.186 -18.567 0.565 564 2HD1 LEU 77 3HD1 LEU 77 -5.935 -20.182 1.227 565 3HD1 LEU 77 2HD1 LEU 77 -4.610 -19.343 0.420 566 1HD2 LEU 77 2HD2 LEU 77 -7.597 -21.500 -1.610 567 2HD2 LEU 77 1HD2 LEU 77 -6.773 -22.009 -0.138 568 3HD2 LEU 77 3HD2 LEU 77 -7.984 -20.729 -0.072 569 H LYS 78 H LYS 78 -5.921 -19.495 -5.136 570 HA LYS 78 HA LYS 78 -6.788 -16.810 -5.913 571 1HB LYS 78 2HB LYS 78 -5.017 -18.859 -7.278 572 2HB LYS 78 1HB LYS 78 -5.324 -17.242 -7.913 573 1HG LYS 78 2HG LYS 78 -4.590 -16.494 -5.483 574 2HG LYS 78 1HG LYS 78 -3.783 -18.061 -5.475 575 1HD LYS 78 2HD LYS 78 -3.457 -16.094 -7.747 576 2HD LYS 78 1HD LYS 78 -2.402 -16.081 -6.334 577 1HE LYS 78 2HE LYS 78 -1.358 -18.030 -6.933 578 2HE LYS 78 1HE LYS 78 -2.829 -18.727 -7.612 579 1HZ LYS 78 1HZ LYS 78 -1.619 -16.430 -8.968 580 2HZ LYS 78 3HZ LYS 78 -0.876 -17.944 -9.143 581 3HZ LYS 78 2HZ LYS 78 -2.493 -17.734 -9.618 582 H ASP 79 H ASP 79 -7.581 -20.117 -6.742 583 HA ASP 79 HA ASP 79 -9.157 -19.281 -9.092 584 1HB ASP 79 2HB ASP 79 -8.347 -21.879 -7.855 585 2HB ASP 79 1HB ASP 79 -9.776 -21.852 -8.887 586 H VAL 80 H VAL 80 -9.707 -20.744 -5.897 587 HA VAL 80 HA VAL 80 -12.535 -20.916 -6.052 588 HB VAL 80 HB VAL 80 -10.922 -21.810 -4.237 589 1HG1 VAL 80 1HG1 VAL 80 -9.932 -19.603 -3.690 590 2HG1 VAL 80 3HG1 VAL 80 -11.503 -19.062 -3.099 591 3HG1 VAL 80 2HG1 VAL 80 -10.653 -20.369 -2.276 592 1HG2 VAL 80 2HG2 VAL 80 -13.671 -20.709 -3.916 593 2HG2 VAL 80 1HG2 VAL 80 -13.106 -22.373 -3.772 594 3HG2 VAL 80 3HG2 VAL 80 -12.841 -21.235 -2.452 595 H ALA 81 H ALA 81 -10.428 -18.313 -4.942 596 HA ALA 81 HA ALA 81 -12.336 -16.471 -4.033 597 1HB ALA 81 1HB ALA 81 -9.965 -16.002 -3.823 598 2HB ALA 81 3HB ALA 81 -9.781 -15.953 -5.577 599 3HB ALA 81 2HB ALA 81 -10.708 -14.699 -4.752 600 H LYS 82 H LYS 82 -11.361 -17.161 -7.371 601 HA LYS 82 HA LYS 82 -12.896 -15.028 -8.550 602 1HB LYS 82 2HB LYS 82 -12.039 -17.667 -9.777 603 2HB LYS 82 1HB LYS 82 -12.555 -16.231 -10.661 604 1HG LYS 82 2HG LYS 82 -10.660 -14.968 -9.636 605 2HG LYS 82 1HG LYS 82 -10.118 -16.461 -8.868 606 1HD LYS 82 2HD LYS 82 -9.867 -17.514 -11.085 607 2HD LYS 82 1HD LYS 82 -10.415 -16.024 -11.856 608 1HE LYS 82 2HE LYS 82 -8.354 -15.123 -11.710 609 2HE LYS 82 1HE LYS 82 -8.276 -15.469 -9.983 610 1HZ LYS 82 1HZ LYS 82 -8.002 -17.906 -11.186 611 2HZ LYS 82 3HZ LYS 82 -7.085 -16.870 -12.166 612 3HZ LYS 82 2HZ LYS 82 -6.753 -16.978 -10.504 613 H ILE 83 H ILE 83 -13.683 -18.255 -7.455 614 HA ILE 83 HA ILE 83 -16.096 -18.655 -8.910 615 HB ILE 83 HB ILE 83 -15.513 -19.538 -6.071 616 1HG1 ILE 83 2HG1 ILE 83 -14.681 -20.666 -8.751 617 2HG1 ILE 83 1HG1 ILE 83 -13.650 -20.245 -7.385 618 1HG2 ILE 83 2HG2 ILE 83 -17.296 -20.655 -8.258 619 2HG2 ILE 83 1HG2 ILE 83 -17.012 -21.420 -6.695 620 3HG2 ILE 83 3HG2 ILE 83 -17.838 -19.864 -6.777 621 1HD1 ILE 83 1HD1 ILE 83 -14.757 -22.034 -6.045 622 2HD1 ILE 83 3HD1 ILE 83 -15.687 -22.492 -7.472 623 3HD1 ILE 83 2HD1 ILE 83 -13.932 -22.671 -7.468 624 H PHE 84 H PHE 84 -15.483 -17.055 -5.806 625 HA PHE 84 HA PHE 84 -18.320 -16.221 -5.651 626 1HB PHE 84 2HB PHE 84 -15.981 -15.785 -3.768 627 2HB PHE 84 1HB PHE 84 -17.633 -15.250 -3.455 628 HD1 PHE 84 HD1 PHE 84 -15.433 -18.194 -3.867 629 HD2 PHE 84 HD2 PHE 84 -19.380 -16.822 -2.875 630 HE1 PHE 84 HE1 PHE 84 -15.999 -20.448 -3.002 631 HE2 PHE 84 HE2 PHE 84 -19.946 -19.076 -2.009 632 HZ PHE 84 HZ PHE 84 -18.256 -20.890 -2.073 No H/Q in entry = 632 Start of MODEL 22 1 H1 ALA 1 3H ALA 1 12.171 -13.779 -1.225 2 H2 ALA 1 2H ALA 1 12.175 -12.662 0.055 3 H3 ALA 1 1H ALA 1 12.685 -14.261 0.318 4 HA ALA 1 HA ALA 1 10.529 -15.123 0.107 5 1HB ALA 1 3HB ALA 1 11.058 -12.873 1.885 6 2HB ALA 1 2HB ALA 1 9.338 -13.036 1.534 7 3HB ALA 1 1HB ALA 1 10.230 -14.392 2.223 8 H ASP 2 H ASP 2 9.236 -15.181 -1.677 9 HA ASP 2 HA ASP 2 8.484 -12.730 -3.090 10 1HB ASP 2 2HB ASP 2 7.747 -15.643 -3.466 11 2HB ASP 2 1HB ASP 2 7.128 -14.351 -4.494 12 H ASP 3 H ASP 3 7.162 -14.694 -0.570 13 HA ASP 3 HA ASP 3 4.386 -14.230 -0.902 14 1HB ASP 3 2HB ASP 3 5.960 -14.394 1.687 15 2HB ASP 3 1HB ASP 3 4.216 -14.603 1.529 16 H HIS 4 H HIS 4 3.064 -12.486 -0.387 17 HA HIS 4 HA HIS 4 4.389 -10.082 0.788 18 1HB HIS 4 2HB HIS 4 2.752 -8.826 -0.857 19 2HB HIS 4 1HB HIS 4 4.308 -9.405 -1.441 20 HD1 HIS 4 HD1 HIS 4 3.647 -9.966 -3.832 21 HD2 HIS 4 HD2 HIS 4 1.163 -11.775 -1.016 22 HE1 HIS 4 HE1 HIS 4 2.187 -11.596 -5.108 23 HA PRO 5 HA PRO 5 0.800 -9.653 3.352 24 1HB PRO 5 2HB PRO 5 0.259 -7.004 3.236 25 2HB PRO 5 1HB PRO 5 1.634 -7.663 4.127 26 1HG PRO 5 2HG PRO 5 1.554 -6.444 1.388 27 2HG PRO 5 1HG PRO 5 2.720 -6.174 2.689 28 1HD PRO 5 1HD PRO 5 3.271 -7.813 0.626 29 2HD PRO 5 2HD PRO 5 3.853 -8.155 2.257 30 H GLN 6 H GLN 6 0.671 -8.497 0.071 31 HA GLN 6 HA GLN 6 -2.076 -7.828 -0.144 32 1HB GLN 6 2HB GLN 6 0.015 -8.834 -2.052 33 2HB GLN 6 1HB GLN 6 -1.663 -8.730 -2.584 34 1HG GLN 6 2HG GLN 6 -1.749 -6.372 -2.138 35 2HG GLN 6 1HG GLN 6 -0.205 -6.417 -1.286 36 1HE2 GLN 6 1HE2 GLN 6 1.678 -7.340 -2.772 37 2HE2 GLN 6 2HE2 GLN 6 1.693 -6.769 -4.371 38 H ASP 7 H ASP 7 -0.400 -10.938 -0.443 39 HA ASP 7 HA ASP 7 -2.557 -12.549 -1.265 40 1HB ASP 7 2HB ASP 7 -0.201 -13.119 0.533 41 2HB ASP 7 1HB ASP 7 -1.367 -14.371 0.107 42 H LYS 8 H LYS 8 -1.523 -11.941 2.098 43 HA LYS 8 HA LYS 8 -3.511 -13.261 3.491 44 1HB LYS 8 2HB LYS 8 -2.043 -10.703 3.981 45 2HB LYS 8 1HB LYS 8 -3.402 -11.095 5.036 46 1HG LYS 8 2HG LYS 8 -2.263 -13.451 5.180 47 2HG LYS 8 1HG LYS 8 -0.823 -12.590 4.638 48 1HD LYS 8 2HD LYS 8 -1.223 -10.942 6.523 49 2HD LYS 8 1HD LYS 8 -2.468 -12.039 7.121 50 1HE LYS 8 2HE LYS 8 -0.896 -13.312 8.109 51 2HE LYS 8 1HE LYS 8 -0.102 -13.560 6.553 52 1HZ LYS 8 1HZ LYS 8 0.665 -11.080 7.096 53 2HZ LYS 8 3HZ LYS 8 0.522 -11.677 8.676 54 3HZ LYS 8 2HZ LYS 8 1.553 -12.449 7.569 55 H ALA 9 H ALA 9 -3.806 -10.168 1.802 56 HA ALA 9 HA ALA 9 -6.412 -9.482 2.728 57 1HB ALA 9 2HB ALA 9 -4.626 -8.654 0.559 58 2HB ALA 9 3HB ALA 9 -5.750 -7.687 1.513 59 3HB ALA 9 1HB ALA 9 -6.328 -8.577 0.104 60 H GLU 10 H GLU 10 -5.360 -11.363 -0.096 61 HA GLU 10 HA GLU 10 -8.039 -11.963 -0.986 62 1HB GLU 10 2HB GLU 10 -5.490 -13.529 -1.493 63 2HB GLU 10 1HB GLU 10 -6.977 -13.617 -2.435 64 1HG GLU 10 2HG GLU 10 -6.724 -11.181 -2.962 65 2HG GLU 10 1HG GLU 10 -5.168 -11.203 -2.134 66 H ARG 11 H ARG 11 -5.749 -13.538 1.191 67 HA ARG 11 HA ARG 11 -7.287 -15.960 1.522 68 1HB ARG 11 2HB ARG 11 -5.138 -14.624 3.181 69 2HB ARG 11 1HB ARG 11 -5.869 -16.164 3.635 70 1HG ARG 11 2HG ARG 11 -5.238 -17.023 1.343 71 2HG ARG 11 1HG ARG 11 -4.322 -15.540 1.103 72 1HD ARG 11 2HD ARG 11 -3.857 -17.712 3.154 73 2HD ARG 11 1HD ARG 11 -2.745 -17.135 1.911 74 HE ARG 11 HE ARG 11 -3.605 -15.236 4.021 75 1HH1 ARG 11 1HH1 ARG 11 -1.209 -16.086 1.852 76 2HH1 ARG 11 2HH1 ARG 11 0.119 -15.821 2.932 77 1HH2 ARG 11 1HH2 ARG 11 -1.892 -15.359 5.718 78 2HH2 ARG 11 2HH2 ARG 11 -0.267 -15.410 5.119 79 H GLU 12 H GLU 12 -7.110 -12.887 3.270 80 HA GLU 12 HA GLU 12 -8.893 -13.631 5.391 81 1HB GLU 12 2HB GLU 12 -7.928 -11.024 4.245 82 2HB GLU 12 1HB GLU 12 -9.214 -11.033 5.447 83 1HG GLU 12 2HG GLU 12 -7.698 -12.456 6.904 84 2HG GLU 12 1HG GLU 12 -6.409 -12.128 5.746 85 H ARG 13 H ARG 13 -9.393 -12.057 2.249 86 HA ARG 13 HA ARG 13 -12.205 -11.603 2.607 87 1HB ARG 13 2HB ARG 13 -10.611 -11.979 0.054 88 2HB ARG 13 1HB ARG 13 -12.247 -11.328 0.146 89 1HG ARG 13 2HG ARG 13 -11.517 -9.405 1.356 90 2HG ARG 13 1HG ARG 13 -9.935 -10.115 1.671 91 1HD ARG 13 2HD ARG 13 -9.536 -8.608 -0.109 92 2HD ARG 13 1HD ARG 13 -9.673 -10.176 -0.904 93 HE ARG 13 HE ARG 13 -12.115 -9.491 -1.339 94 1HH1 ARG 13 1HH1 ARG 13 -9.827 -8.058 -2.910 95 2HH1 ARG 13 2HH1 ARG 13 -10.441 -6.439 -2.914 96 1HH2 ARG 13 1HH2 ARG 13 -12.801 -7.045 -0.448 97 2HH2 ARG 13 2HH2 ARG 13 -12.125 -5.865 -1.520 98 H ILE 14 H ILE 14 -10.355 -14.283 1.195 99 HA ILE 14 HA ILE 14 -12.690 -15.775 0.380 100 HB ILE 14 HB ILE 14 -9.890 -16.766 0.998 101 1HG1 ILE 14 2HG1 ILE 14 -11.010 -16.179 -1.733 102 2HG1 ILE 14 1HG1 ILE 14 -10.272 -14.895 -0.781 103 1HG2 ILE 14 3HG2 ILE 14 -12.303 -17.963 -0.355 104 2HG2 ILE 14 2HG2 ILE 14 -10.677 -18.504 -0.773 105 3HG2 ILE 14 1HG2 ILE 14 -11.265 -18.675 0.882 106 1HD1 ILE 14 3HD1 ILE 14 -8.544 -17.147 -0.617 107 2HD1 ILE 14 2HD1 ILE 14 -8.978 -16.954 -2.315 108 3HD1 ILE 14 1HD1 ILE 14 -8.241 -15.615 -1.436 109 H PHE 15 H PHE 15 -10.569 -15.872 3.253 110 HA PHE 15 HA PHE 15 -11.934 -18.054 4.514 111 1HB PHE 15 2HB PHE 15 -9.701 -17.286 5.248 112 2HB PHE 15 1HB PHE 15 -10.404 -15.763 5.801 113 HD1 PHE 15 HD1 PHE 15 -10.186 -19.401 6.387 114 HD2 PHE 15 HD2 PHE 15 -11.821 -15.689 7.799 115 HE1 PHE 15 HE1 PHE 15 -10.812 -20.492 8.522 116 HE2 PHE 15 HE2 PHE 15 -12.451 -16.781 9.937 117 HZ PHE 15 HZ PHE 15 -11.949 -19.188 10.298 118 H LYS 16 H LYS 16 -12.465 -14.564 4.497 119 HA LYS 16 HA LYS 16 -14.465 -14.535 6.562 120 1HB LYS 16 2HB LYS 16 -13.749 -12.680 4.298 121 2HB LYS 16 1HB LYS 16 -15.184 -12.381 5.279 122 1HG LYS 16 2HG LYS 16 -13.741 -12.483 7.324 123 2HG LYS 16 1HG LYS 16 -12.330 -12.630 6.276 124 1HD LYS 16 2HD LYS 16 -13.006 -10.469 5.179 125 2HD LYS 16 1HD LYS 16 -14.274 -10.306 6.395 126 1HE LYS 16 2HE LYS 16 -11.825 -10.913 7.743 127 2HE LYS 16 1HE LYS 16 -11.516 -9.590 6.619 128 1HZ LYS 16 3HZ LYS 16 -13.419 -8.416 7.537 129 2HZ LYS 16 2HZ LYS 16 -13.701 -9.687 8.629 130 3HZ LYS 16 1HZ LYS 16 -12.282 -8.761 8.747 131 H ARG 17 H ARG 17 -14.542 -15.251 3.125 132 HA ARG 17 HA ARG 17 -17.409 -15.106 2.832 133 1HB ARG 17 2HB ARG 17 -15.249 -16.530 1.262 134 2HB ARG 17 1HB ARG 17 -16.950 -16.580 0.802 135 1HG ARG 17 2HG ARG 17 -16.935 -14.053 0.825 136 2HG ARG 17 1HG ARG 17 -15.188 -14.129 1.039 137 1HD ARG 17 2HD ARG 17 -15.061 -15.518 -1.053 138 2HD ARG 17 1HD ARG 17 -16.782 -15.222 -1.294 139 HE ARG 17 HE ARG 17 -16.205 -12.781 -1.448 140 1HH1 ARG 17 1HH1 ARG 17 -14.275 -15.239 -2.722 141 2HH1 ARG 17 2HH1 ARG 17 -12.971 -14.201 -3.194 142 1HH2 ARG 17 1HH2 ARG 17 -14.295 -11.393 -1.648 143 2HH2 ARG 17 2HH2 ARG 17 -12.983 -12.025 -2.586 144 H PHE 18 H PHE 18 -15.137 -17.660 3.736 145 HA PHE 18 HA PHE 18 -17.093 -19.782 3.739 146 1HB PHE 18 2HB PHE 18 -14.374 -19.446 4.997 147 2HB PHE 18 1HB PHE 18 -15.353 -20.881 5.299 148 HD1 PHE 18 HD1 PHE 18 -16.277 -22.139 3.225 149 HD2 PHE 18 HD2 PHE 18 -13.057 -19.302 3.056 150 HE1 PHE 18 HE1 PHE 18 -15.554 -23.091 1.053 151 HE2 PHE 18 HE2 PHE 18 -12.333 -20.254 0.884 152 HZ PHE 18 HZ PHE 18 -13.581 -22.148 -0.118 153 H ASP 19 H ASP 19 -15.677 -17.833 6.375 154 HA ASP 19 HA ASP 19 -17.209 -18.926 8.489 155 1HB ASP 19 2HB ASP 19 -15.285 -17.140 8.519 156 2HB ASP 19 1HB ASP 19 -16.606 -15.976 8.387 157 H ALA 20 H ALA 20 -19.398 -19.227 8.166 158 HA ALA 20 HA ALA 20 -21.061 -17.444 6.665 159 1HB ALA 20 3HB ALA 20 -21.626 -19.810 7.008 160 2HB ALA 20 2HB ALA 20 -21.824 -19.518 8.737 161 3HB ALA 20 1HB ALA 20 -22.928 -18.769 7.583 162 H ASN 21 H ASN 21 -20.840 -17.924 10.235 163 HA ASN 21 HA ASN 21 -22.531 -15.536 10.582 164 1HB ASN 21 2HB ASN 21 -22.484 -16.050 12.957 165 2HB ASN 21 1HB ASN 21 -22.826 -17.524 12.056 166 1HD2 ASN 21 1HD2 ASN 21 -21.635 -17.299 14.742 167 2HD2 ASN 21 2HD2 ASN 21 -20.116 -18.042 14.656 168 H GLY 22 H GLY 22 -19.161 -16.414 10.745 169 1HA GLY 22 1HA GLY 22 -18.503 -13.548 11.029 170 2HA GLY 22 2HA GLY 22 -17.373 -14.823 10.583 171 H ASP 23 H ASP 23 -17.972 -16.594 12.773 172 HA ASP 23 HA ASP 23 -17.341 -14.973 15.174 173 1HB ASP 23 2HB ASP 23 -17.630 -17.069 16.440 174 2HB ASP 23 1HB ASP 23 -19.038 -16.736 15.436 175 H GLY 24 H GLY 24 -15.597 -16.050 12.697 176 1HA GLY 24 1HA GLY 24 -13.166 -16.283 14.362 177 2HA GLY 24 2HA GLY 24 -13.201 -15.999 12.624 178 H LYS 25 H LYS 25 -15.338 -18.495 13.423 179 HA LYS 25 HA LYS 25 -13.261 -20.497 12.656 180 1HB LYS 25 2HB LYS 25 -14.216 -22.106 14.197 181 2HB LYS 25 1HB LYS 25 -13.876 -20.627 15.096 182 1HG LYS 25 2HG LYS 25 -16.167 -19.993 15.108 183 2HG LYS 25 1HG LYS 25 -16.582 -21.176 13.867 184 1HD LYS 25 2HD LYS 25 -15.666 -22.912 15.620 185 2HD LYS 25 1HD LYS 25 -15.975 -21.616 16.778 186 1HE LYS 25 2HE LYS 25 -18.314 -21.469 15.649 187 2HE LYS 25 1HE LYS 25 -17.937 -23.070 15.011 188 1HZ LYS 25 3HZ LYS 25 -17.317 -22.877 17.781 189 2HZ LYS 25 2HZ LYS 25 -18.947 -22.491 17.495 190 3HZ LYS 25 1HZ LYS 25 -18.321 -23.985 16.979 191 H ILE 26 H ILE 26 -13.905 -22.031 11.180 192 HA ILE 26 HA ILE 26 -16.656 -21.694 10.052 193 HB ILE 26 HB ILE 26 -14.344 -22.944 8.581 194 1HG1 ILE 26 2HG1 ILE 26 -15.017 -19.993 8.782 195 2HG1 ILE 26 1HG1 ILE 26 -13.534 -20.765 9.346 196 1HG2 ILE 26 3HG2 ILE 26 -16.648 -23.149 7.681 197 2HG2 ILE 26 2HG2 ILE 26 -16.795 -21.392 7.692 198 3HG2 ILE 26 1HG2 ILE 26 -15.623 -22.172 6.631 199 1HD1 ILE 26 2HD1 ILE 26 -14.104 -21.428 6.568 200 2HD1 ILE 26 1HD1 ILE 26 -13.973 -19.685 6.806 201 3HD1 ILE 26 3HD1 ILE 26 -12.640 -20.743 7.272 202 H SER 27 H SER 27 -17.964 -23.459 10.019 203 HA SER 27 HA SER 27 -16.826 -26.027 11.019 204 1HB SER 27 2HB SER 27 -18.919 -26.510 11.946 205 2HB SER 27 1HB SER 27 -18.838 -24.759 12.145 206 HG SER 27 HG SER 27 -20.430 -24.557 10.812 207 H ALA 28 H ALA 28 -17.895 -28.015 10.010 208 HA ALA 28 HA ALA 28 -17.498 -28.103 7.242 209 1HB ALA 28 3HB ALA 28 -19.683 -29.854 8.151 210 2HB ALA 28 2HB ALA 28 -18.131 -30.280 7.430 211 3HB ALA 28 1HB ALA 28 -18.237 -29.942 9.157 212 H ALA 29 H ALA 29 -20.537 -27.527 9.000 213 HA ALA 29 HA ALA 29 -22.232 -27.312 6.744 214 1HB ALA 29 1HB ALA 29 -22.752 -27.237 9.326 215 2HB ALA 29 3HB ALA 29 -22.602 -25.494 9.103 216 3HB ALA 29 2HB ALA 29 -23.812 -26.398 8.193 217 H GLU 30 H GLU 30 -20.151 -24.888 8.296 218 HA GLU 30 HA GLU 30 -21.044 -22.750 6.548 219 1HB GLU 30 2HB GLU 30 -18.598 -23.007 8.320 220 2HB GLU 30 1HB GLU 30 -19.059 -21.531 7.474 221 1HG GLU 30 2HG GLU 30 -21.245 -21.565 8.660 222 2HG GLU 30 1HG GLU 30 -20.724 -22.998 9.544 223 H LEU 31 H LEU 31 -17.995 -24.620 6.735 224 HA LEU 31 HA LEU 31 -16.905 -23.563 4.318 225 1HB LEU 31 2HB LEU 31 -15.460 -24.758 5.841 226 2HB LEU 31 1HB LEU 31 -16.455 -26.210 5.727 227 HG LEU 31 HG LEU 31 -15.878 -26.459 3.364 228 1HD1 LEU 31 1HD1 LEU 31 -14.693 -23.751 3.824 229 2HD1 LEU 31 3HD1 LEU 31 -13.898 -24.817 2.665 230 3HD1 LEU 31 2HD1 LEU 31 -15.585 -24.361 2.430 231 1HD2 LEU 31 3HD2 LEU 31 -13.888 -26.396 5.516 232 2HD2 LEU 31 2HD2 LEU 31 -14.183 -27.637 4.297 233 3HD2 LEU 31 1HD2 LEU 31 -13.170 -26.246 3.912 234 H GLY 32 H GLY 32 -18.883 -26.448 4.952 235 1HA GLY 32 1HA GLY 32 -20.129 -27.783 3.483 236 2HA GLY 32 2HA GLY 32 -18.906 -27.420 2.269 237 H GLU 33 H GLU 33 -21.106 -25.221 4.003 238 HA GLU 33 HA GLU 33 -22.972 -24.850 1.907 239 1HB GLU 33 2HB GLU 33 -22.132 -23.285 4.302 240 2HB GLU 33 1HB GLU 33 -23.089 -22.453 3.078 241 1HG GLU 33 2HG GLU 33 -24.723 -24.394 3.190 242 2HG GLU 33 1HG GLU 33 -23.829 -24.964 4.599 243 H ALA 34 H ALA 34 -19.938 -23.116 2.597 244 HA ALA 34 HA ALA 34 -20.264 -21.317 0.344 245 1HB ALA 34 3HB ALA 34 -18.674 -20.316 1.618 246 2HB ALA 34 2HB ALA 34 -18.265 -21.829 2.427 247 3HB ALA 34 1HB ALA 34 -17.541 -21.440 0.867 248 H LEU 35 H LEU 35 -18.565 -24.359 0.935 249 HA LEU 35 HA LEU 35 -17.196 -24.557 -1.538 250 1HB LEU 35 2HB LEU 35 -18.133 -26.480 0.537 251 2HB LEU 35 1HB LEU 35 -17.699 -27.146 -1.036 252 HG LEU 35 HG LEU 35 -15.942 -25.388 0.704 253 1HD1 LEU 35 3HD1 LEU 35 -16.174 -28.323 0.224 254 2HD1 LEU 35 2HD1 LEU 35 -14.548 -27.654 0.359 255 3HD1 LEU 35 1HD1 LEU 35 -15.695 -27.459 1.685 256 1HD2 LEU 35 1HD2 LEU 35 -15.660 -26.476 -2.092 257 2HD2 LEU 35 3HD2 LEU 35 -15.345 -24.842 -1.506 258 3HD2 LEU 35 2HD2 LEU 35 -14.234 -26.151 -1.106 259 H LYS 36 H LYS 36 -20.579 -25.098 -0.729 260 HA LYS 36 HA LYS 36 -21.503 -26.697 -2.786 261 1HB LYS 36 2HB LYS 36 -22.604 -24.464 -1.229 262 2HB LYS 36 1HB LYS 36 -23.355 -24.645 -2.813 263 1HG LYS 36 2HG LYS 36 -23.659 -27.095 -2.304 264 2HG LYS 36 1HG LYS 36 -23.091 -26.769 -0.666 265 1HD LYS 36 2HD LYS 36 -25.570 -25.679 -2.019 266 2HD LYS 36 1HD LYS 36 -25.482 -26.674 -0.565 267 1HE LYS 36 2HE LYS 36 -23.927 -24.583 0.196 268 2HE LYS 36 1HE LYS 36 -25.040 -23.758 -0.896 269 1HZ LYS 36 1HZ LYS 36 -26.053 -25.628 1.146 270 2HZ LYS 36 3HZ LYS 36 -25.690 -24.023 1.558 271 3HZ LYS 36 2HZ LYS 36 -26.862 -24.350 0.371 272 H THR 37 H THR 37 -20.126 -23.499 -3.063 273 HA THR 37 HA THR 37 -21.096 -22.660 -5.558 274 HB THR 37 HB THR 37 -19.461 -21.453 -3.991 275 HG1 THR 37 HG1 THR 37 -20.000 -20.637 -6.025 276 1HG2 THR 37 1HG2 THR 37 -17.812 -23.304 -3.886 277 2HG2 THR 37 3HG2 THR 37 -17.467 -23.074 -5.600 278 3HG2 THR 37 2HG2 THR 37 -17.079 -21.799 -4.444 279 H LEU 38 H LEU 38 -18.909 -25.259 -4.781 280 HA LEU 38 HA LEU 38 -17.660 -25.627 -7.306 281 1HB LEU 38 2HB LEU 38 -18.488 -27.657 -5.214 282 2HB LEU 38 1HB LEU 38 -17.463 -28.034 -6.598 283 HG LEU 38 HG LEU 38 -16.870 -26.046 -4.385 284 1HD1 LEU 38 1HD1 LEU 38 -15.844 -28.764 -5.164 285 2HD1 LEU 38 3HD1 LEU 38 -14.788 -27.636 -4.316 286 3HD1 LEU 38 2HD1 LEU 38 -16.295 -28.164 -3.568 287 1HD2 LEU 38 3HD2 LEU 38 -15.876 -26.274 -7.137 288 2HD2 LEU 38 2HD2 LEU 38 -15.692 -24.953 -5.984 289 3HD2 LEU 38 1HD2 LEU 38 -14.590 -26.330 -5.930 290 H GLY 39 H GLY 39 -20.819 -26.645 -6.098 291 1HA GLY 39 1HA GLY 39 -21.798 -26.920 -8.839 292 2HA GLY 39 2HA GLY 39 -22.750 -27.145 -7.372 293 H SER 40 H SER 40 -19.918 -28.915 -7.095 294 HA SER 40 HA SER 40 -21.395 -31.417 -7.610 295 1HB SER 40 2HB SER 40 -20.495 -31.251 -9.773 296 2HB SER 40 1HB SER 40 -18.999 -30.516 -9.196 297 HG SER 40 HG SER 40 -18.413 -32.487 -8.303 298 H ILE 41 H ILE 41 -20.830 -30.789 -5.129 299 HA ILE 41 HA ILE 41 -18.422 -32.425 -4.484 300 HB ILE 41 HB ILE 41 -18.113 -29.864 -4.206 301 1HG1 ILE 41 2HG1 ILE 41 -16.999 -30.256 -1.931 302 2HG1 ILE 41 1HG1 ILE 41 -17.632 -31.898 -2.021 303 1HG2 ILE 41 2HG2 ILE 41 -20.455 -29.798 -3.024 304 2HG2 ILE 41 1HG2 ILE 41 -19.547 -30.306 -1.598 305 3HG2 ILE 41 3HG2 ILE 41 -19.149 -28.787 -2.404 306 1HD1 ILE 41 1HD1 ILE 41 -16.134 -30.795 -4.373 307 2HD1 ILE 41 3HD1 ILE 41 -15.223 -31.341 -2.965 308 3HD1 ILE 41 2HD1 ILE 41 -16.276 -32.464 -3.824 309 H THR 42 H THR 42 -18.572 -33.468 -2.367 310 HA THR 42 HA THR 42 -21.412 -33.895 -1.555 311 HB THR 42 HB THR 42 -20.929 -36.101 -1.352 312 HG1 THR 42 HG1 THR 42 -19.860 -36.451 0.395 313 1HG2 THR 42 3HG2 THR 42 -19.620 -35.517 -3.420 314 2HG2 THR 42 2HG2 THR 42 -18.179 -35.402 -2.408 315 3HG2 THR 42 1HG2 THR 42 -19.019 -36.944 -2.575 316 HA PRO 43 HA PRO 43 -20.637 -32.084 2.406 317 1HB PRO 43 2HB PRO 43 -21.965 -33.745 4.082 318 2HB PRO 43 1HB PRO 43 -22.789 -32.607 3.013 319 1HG PRO 43 2HG PRO 43 -22.295 -35.540 2.641 320 2HG PRO 43 1HG PRO 43 -23.771 -34.616 2.339 321 1HD PRO 43 1HD PRO 43 -22.106 -35.318 0.337 322 2HD PRO 43 2HD PRO 43 -22.990 -33.789 0.315 323 H ASP 44 H ASP 44 -20.067 -35.550 2.038 324 HA ASP 44 HA ASP 44 -18.419 -35.808 4.394 325 1HB ASP 44 2HB ASP 44 -18.602 -37.521 1.898 326 2HB ASP 44 1HB ASP 44 -17.755 -37.980 3.375 327 H GLU 45 H GLU 45 -17.815 -34.521 1.225 328 HA GLU 45 HA GLU 45 -14.935 -35.034 1.320 329 1HB GLU 45 2HB GLU 45 -16.652 -33.269 -0.453 330 2HB GLU 45 1HB GLU 45 -14.910 -33.456 -0.648 331 1HG GLU 45 2HG GLU 45 -16.931 -35.718 -0.735 332 2HG GLU 45 1HG GLU 45 -16.166 -34.984 -2.145 333 H VAL 46 H VAL 46 -17.172 -32.402 2.014 334 HA VAL 46 HA VAL 46 -15.148 -30.427 2.557 335 HB VAL 46 HB VAL 46 -18.029 -30.673 3.461 336 1HG1 VAL 46 3HG1 VAL 46 -15.985 -28.480 3.869 337 2HG1 VAL 46 2HG1 VAL 46 -17.721 -28.180 3.950 338 3HG1 VAL 46 1HG1 VAL 46 -16.963 -29.290 5.093 339 1HG2 VAL 46 3HG2 VAL 46 -16.796 -29.941 1.009 340 2HG2 VAL 46 2HG2 VAL 46 -18.504 -29.820 1.433 341 3HG2 VAL 46 1HG2 VAL 46 -17.422 -28.458 1.731 342 H LYS 47 H LYS 47 -16.798 -32.865 4.482 343 HA LYS 47 HA LYS 47 -15.826 -32.010 7.047 344 1HB LYS 47 2HB LYS 47 -16.684 -34.734 6.031 345 2HB LYS 47 1HB LYS 47 -16.299 -34.398 7.719 346 1HG LYS 47 2HG LYS 47 -18.042 -32.594 7.698 347 2HG LYS 47 1HG LYS 47 -18.483 -33.095 6.066 348 1HD LYS 47 2HD LYS 47 -18.880 -35.417 6.980 349 2HD LYS 47 1HD LYS 47 -18.655 -34.752 8.597 350 1HE LYS 47 2HE LYS 47 -20.584 -33.369 6.780 351 2HE LYS 47 1HE LYS 47 -21.077 -34.909 7.482 352 1HZ LYS 47 2HZ LYS 47 -19.900 -32.796 9.168 353 2HZ LYS 47 1HZ LYS 47 -21.552 -32.765 8.776 354 3HZ LYS 47 3HZ LYS 47 -20.908 -34.086 9.621 355 H HIS 48 H HIS 48 -14.557 -34.217 4.586 356 HA HIS 48 HA HIS 48 -12.279 -35.093 6.105 357 1HB HIS 48 2HB HIS 48 -13.010 -36.317 4.116 358 2HB HIS 48 1HB HIS 48 -12.700 -34.906 3.104 359 HD1 HIS 48 HD1 HIS 48 -11.188 -37.973 3.765 360 HD2 HIS 48 HD2 HIS 48 -9.714 -34.074 3.799 361 HE1 HIS 48 HE1 HIS 48 -8.674 -38.156 3.523 362 H MET 49 H MET 49 -12.779 -32.430 3.789 363 HA MET 49 HA MET 49 -10.099 -31.501 3.703 364 1HB MET 49 2HB MET 49 -12.790 -30.237 3.295 365 2HB MET 49 1HB MET 49 -11.365 -29.204 3.378 366 1HG MET 49 2HG MET 49 -10.388 -30.998 1.677 367 2HG MET 49 1HG MET 49 -12.097 -31.266 1.336 368 1HE MET 49 3HE MET 49 -12.043 -30.700 -0.937 369 2HE MET 49 2HE MET 49 -13.441 -29.826 -0.317 370 3HE MET 49 1HE MET 49 -12.381 -29.057 -1.496 371 H MET 50 H MET 50 -12.768 -30.713 5.902 372 HA MET 50 HA MET 50 -11.363 -28.797 7.476 373 1HB MET 50 2HB MET 50 -13.765 -30.530 7.869 374 2HB MET 50 1HB MET 50 -13.054 -29.769 9.291 375 1HG MET 50 2HG MET 50 -13.124 -27.575 8.002 376 2HG MET 50 1HG MET 50 -14.106 -28.411 6.798 377 1HE MET 50 3HE MET 50 -13.507 -27.061 10.057 378 2HE MET 50 2HE MET 50 -15.057 -26.829 10.862 379 3HE MET 50 1HE MET 50 -14.224 -28.375 10.998 380 H ALA 51 H ALA 51 -11.769 -32.308 7.891 381 HA ALA 51 HA ALA 51 -10.279 -32.569 10.292 382 1HB ALA 51 1HB ALA 51 -11.443 -34.508 9.635 383 2HB ALA 51 2HB ALA 51 -9.762 -34.925 9.300 384 3HB ALA 51 3HB ALA 51 -10.826 -34.429 7.983 385 H GLU 52 H GLU 52 -9.277 -31.887 7.060 386 HA GLU 52 HA GLU 52 -6.447 -32.554 7.670 387 1HB GLU 52 2HB GLU 52 -7.964 -31.848 5.171 388 2HB GLU 52 1HB GLU 52 -6.212 -31.644 5.217 389 1HG GLU 52 2HG GLU 52 -6.125 -34.060 6.097 390 2HG GLU 52 1HG GLU 52 -7.809 -34.184 5.585 391 H ILE 53 H ILE 53 -8.564 -29.812 7.015 392 HA ILE 53 HA ILE 53 -6.387 -27.863 7.130 393 HB ILE 53 HB ILE 53 -9.396 -27.513 7.222 394 1HG1 ILE 53 2HG1 ILE 53 -7.446 -27.192 4.927 395 2HG1 ILE 53 1HG1 ILE 53 -8.496 -28.588 5.154 396 1HG2 ILE 53 3HG2 ILE 53 -7.157 -25.531 6.730 397 2HG2 ILE 53 2HG2 ILE 53 -8.880 -25.177 6.602 398 3HG2 ILE 53 1HG2 ILE 53 -8.179 -25.600 8.165 399 1HD1 ILE 53 1HD1 ILE 53 -10.449 -26.955 5.197 400 2HD1 ILE 53 3HD1 ILE 53 -9.317 -25.722 4.641 401 3HD1 ILE 53 2HD1 ILE 53 -9.645 -27.135 3.639 402 H ASP 54 H ASP 54 -8.784 -29.210 9.319 403 HA ASP 54 HA ASP 54 -8.589 -27.315 11.430 404 1HB ASP 54 2HB ASP 54 -10.178 -29.380 11.028 405 2HB ASP 54 1HB ASP 54 -8.947 -30.253 11.932 406 H THR 55 H THR 55 -6.502 -26.731 12.014 407 HA THR 55 HA THR 55 -4.291 -28.553 12.159 408 HB THR 55 HB THR 55 -3.158 -26.706 13.383 409 HG1 THR 55 HG1 THR 55 -4.708 -25.783 14.572 410 1HG2 THR 55 3HG2 THR 55 -4.681 -26.261 10.843 411 2HG2 THR 55 2HG2 THR 55 -3.779 -24.915 11.539 412 3HG2 THR 55 1HG2 THR 55 -2.941 -26.401 11.093 413 H ASP 56 H ASP 56 -6.383 -27.188 14.704 414 HA ASP 56 HA ASP 56 -5.065 -28.907 16.706 415 1HB ASP 56 2HB ASP 56 -6.241 -27.682 18.345 416 2HB ASP 56 1HB ASP 56 -5.895 -26.485 17.099 417 H GLY 57 H GLY 57 -8.221 -28.595 15.135 418 1HA GLY 57 1HA GLY 57 -8.761 -31.417 15.922 419 2HA GLY 57 2HA GLY 57 -9.493 -30.600 14.546 420 H ASP 58 H ASP 58 -10.066 -28.147 16.183 421 HA ASP 58 HA ASP 58 -11.878 -29.080 18.290 422 1HB ASP 58 2HB ASP 58 -12.389 -26.754 18.656 423 2HB ASP 58 1HB ASP 58 -10.654 -26.864 18.376 424 H GLY 59 H GLY 59 -12.055 -29.069 14.979 425 1HA GLY 59 1HA GLY 59 -15.024 -29.131 15.097 426 2HA GLY 59 2HA GLY 59 -14.038 -29.872 13.839 427 H PHE 60 H PHE 60 -12.757 -26.853 14.471 428 HA PHE 60 HA PHE 60 -14.219 -25.737 12.130 429 1HB PHE 60 2HB PHE 60 -13.535 -24.094 14.572 430 2HB PHE 60 1HB PHE 60 -14.496 -23.603 13.177 431 HD1 PHE 60 HD1 PHE 60 -16.742 -24.564 12.792 432 HD2 PHE 60 HD2 PHE 60 -14.476 -25.449 16.328 433 HE1 PHE 60 HE1 PHE 60 -18.791 -25.413 13.892 434 HE2 PHE 60 HE2 PHE 60 -16.526 -26.298 17.430 435 HZ PHE 60 HZ PHE 60 -18.687 -26.282 16.212 436 H ILE 61 H ILE 61 -13.091 -24.063 10.993 437 HA ILE 61 HA ILE 61 -10.142 -24.191 11.357 438 HB ILE 61 HB ILE 61 -11.637 -23.339 8.871 439 1HG1 ILE 61 2HG1 ILE 61 -12.282 -25.651 9.452 440 2HG1 ILE 61 1HG1 ILE 61 -11.248 -25.625 8.023 441 1HG2 ILE 61 2HG2 ILE 61 -8.812 -24.325 9.369 442 2HG2 ILE 61 1HG2 ILE 61 -9.476 -23.881 7.797 443 3HG2 ILE 61 3HG2 ILE 61 -9.278 -22.654 9.048 444 1HD1 ILE 61 2HD1 ILE 61 -9.286 -25.974 9.661 445 2HD1 ILE 61 1HD1 ILE 61 -10.517 -26.401 10.849 446 3HD1 ILE 61 3HD1 ILE 61 -10.347 -27.355 9.375 447 H SER 62 H SER 62 -9.144 -22.275 11.893 448 HA SER 62 HA SER 62 -10.836 -19.835 11.972 449 1HB SER 62 2HB SER 62 -8.123 -20.366 13.228 450 2HB SER 62 1HB SER 62 -9.125 -18.939 13.490 451 HG SER 62 HG SER 62 -10.125 -21.527 13.964 452 H PHE 63 H PHE 63 -9.578 -17.763 11.395 453 HA PHE 63 HA PHE 63 -8.730 -17.880 8.704 454 1HB PHE 63 2HB PHE 63 -9.385 -15.766 9.842 455 2HB PHE 63 1HB PHE 63 -7.883 -15.824 10.769 456 HD1 PHE 63 HD1 PHE 63 -8.865 -16.396 7.197 457 HD2 PHE 63 HD2 PHE 63 -6.225 -14.411 9.938 458 HE1 PHE 63 HE1 PHE 63 -7.652 -15.381 5.291 459 HE2 PHE 63 HE2 PHE 63 -5.006 -13.399 8.031 460 HZ PHE 63 HZ PHE 63 -5.725 -13.883 5.705 461 H GLN 64 H GLN 64 -6.827 -17.890 11.698 462 HA GLN 64 HA GLN 64 -4.247 -17.911 10.525 463 1HB GLN 64 2HB GLN 64 -4.796 -17.650 12.977 464 2HB GLN 64 1HB GLN 64 -5.093 -19.386 13.033 465 1HG GLN 64 2HG GLN 64 -2.817 -19.063 13.732 466 2HG GLN 64 1HG GLN 64 -2.747 -19.696 12.087 467 1HE2 GLN 64 1HE2 GLN 64 -1.126 -18.606 10.966 468 2HE2 GLN 64 2HE2 GLN 64 -0.827 -16.938 11.060 469 H GLU 65 H GLU 65 -6.375 -20.640 11.442 470 HA GLU 65 HA GLU 65 -4.617 -22.705 10.551 471 1HB GLU 65 2HB GLU 65 -7.612 -22.552 10.910 472 2HB GLU 65 1HB GLU 65 -6.814 -24.021 10.361 473 1HG GLU 65 2HG GLU 65 -5.413 -24.028 12.389 474 2HG GLU 65 1HG GLU 65 -6.197 -22.548 12.939 475 H PHE 66 H PHE 66 -7.302 -21.029 8.924 476 HA PHE 66 HA PHE 66 -7.074 -22.439 6.442 477 1HB PHE 66 2HB PHE 66 -9.052 -21.081 7.025 478 2HB PHE 66 1HB PHE 66 -8.065 -19.620 6.966 479 HD1 PHE 66 HD1 PHE 66 -6.971 -18.949 4.790 480 HD2 PHE 66 HD2 PHE 66 -9.909 -22.073 5.033 481 HE1 PHE 66 HE1 PHE 66 -7.334 -18.798 2.341 482 HE2 PHE 66 HE2 PHE 66 -10.272 -21.922 2.584 483 HZ PHE 66 HZ PHE 66 -8.985 -20.284 1.239 484 H THR 67 H THR 67 -5.415 -19.632 7.765 485 HA THR 67 HA THR 67 -4.161 -18.796 5.313 486 HB THR 67 HB THR 67 -3.354 -18.425 8.212 487 HG1 THR 67 HG1 THR 67 -4.908 -17.056 6.346 488 1HG2 THR 67 3HG2 THR 67 -2.177 -17.358 5.645 489 2HG2 THR 67 2HG2 THR 67 -1.972 -16.519 7.184 490 3HG2 THR 67 1HG2 THR 67 -1.344 -18.154 6.981 491 H ASP 68 H ASP 68 -3.005 -20.822 8.025 492 HA ASP 68 HA ASP 68 -0.468 -21.447 6.900 493 1HB ASP 68 2HB ASP 68 -1.001 -21.954 9.238 494 2HB ASP 68 1HB ASP 68 -2.231 -23.109 8.726 495 H PHE 69 H PHE 69 -3.659 -22.897 6.446 496 HA PHE 69 HA PHE 69 -2.644 -25.070 4.794 497 1HB PHE 69 2HB PHE 69 -4.631 -25.747 5.733 498 2HB PHE 69 1HB PHE 69 -5.280 -24.111 5.787 499 HD1 PHE 69 HD1 PHE 69 -5.924 -23.025 3.538 500 HD2 PHE 69 HD2 PHE 69 -5.341 -27.242 4.070 501 HE1 PHE 69 HE1 PHE 69 -7.238 -23.465 1.476 502 HE2 PHE 69 HE2 PHE 69 -6.651 -27.687 2.016 503 HZ PHE 69 HZ PHE 69 -7.602 -25.799 0.715 504 H GLY 70 H GLY 70 -4.144 -21.907 4.280 505 1HA GLY 70 1HA GLY 70 -4.227 -20.562 2.356 506 2HA GLY 70 2HA GLY 70 -4.517 -22.062 1.472 507 H ARG 71 H ARG 71 -1.636 -21.601 3.400 508 HA ARG 71 HA ARG 71 0.053 -20.666 1.240 509 1HB ARG 71 2HB ARG 71 0.709 -22.022 3.874 510 2HB ARG 71 1HB ARG 71 1.920 -21.365 2.775 511 1HG ARG 71 2HG ARG 71 0.749 -19.142 2.929 512 2HG ARG 71 1HG ARG 71 -0.294 -19.835 4.172 513 1HD ARG 71 2HD ARG 71 2.728 -19.598 4.299 514 2HD ARG 71 1HD ARG 71 1.571 -18.641 5.224 515 HE ARG 71 HE ARG 71 1.593 -21.602 5.555 516 1HH1 ARG 71 1HH1 ARG 71 0.462 -18.889 6.994 517 2HH1 ARG 71 2HH1 ARG 71 1.204 -19.138 8.540 518 1HH2 ARG 71 1HH2 ARG 71 3.237 -21.725 7.445 519 2HH2 ARG 71 2HH2 ARG 71 2.774 -20.743 8.795 520 H ALA 72 H ALA 72 -0.932 -23.806 2.459 521 HA ALA 72 HA ALA 72 1.008 -25.346 0.964 522 1HB ALA 72 3HB ALA 72 0.154 -26.919 2.334 523 2HB ALA 72 1HB ALA 72 -1.317 -26.911 1.359 524 3HB ALA 72 2HB ALA 72 -1.189 -25.858 2.769 525 H ASN 73 H ASN 73 -2.021 -23.827 0.195 526 HA ASN 73 HA ASN 73 -1.754 -24.831 -2.591 527 1HB ASN 73 2HB ASN 73 -4.442 -24.683 -1.212 528 2HB ASN 73 1HB ASN 73 -4.054 -25.441 -2.757 529 1HD2 ASN 73 1HD2 ASN 73 -4.352 -26.013 0.622 530 2HD2 ASN 73 2HD2 ASN 73 -3.668 -27.566 0.648 531 H ARG 74 H ARG 74 -0.847 -22.415 -2.114 532 HA ARG 74 HA ARG 74 -2.583 -20.221 -1.853 533 1HB ARG 74 2HB ARG 74 -0.077 -20.522 -3.533 534 2HB ARG 74 1HB ARG 74 -0.889 -18.980 -3.259 535 1HG ARG 74 2HG ARG 74 -0.616 -19.290 -0.813 536 2HG ARG 74 1HG ARG 74 0.236 -20.805 -1.111 537 1HD ARG 74 2HD ARG 74 1.810 -18.920 -0.743 538 2HD ARG 74 1HD ARG 74 1.974 -19.604 -2.361 539 HE ARG 74 HE ARG 74 0.145 -17.534 -2.672 540 1HH1 ARG 74 1HH1 ARG 74 1.742 -16.341 -0.366 541 2HH1 ARG 74 2HH1 ARG 74 2.937 -15.425 -1.223 542 1HH2 ARG 74 1HH2 ARG 74 2.372 -17.025 -4.248 543 2HH2 ARG 74 2HH2 ARG 74 3.294 -15.813 -3.422 544 H GLY 75 H GLY 75 -1.901 -22.243 -4.649 545 1HA GLY 75 1HA GLY 75 -2.898 -22.328 -6.758 546 2HA GLY 75 2HA GLY 75 -3.289 -20.619 -6.574 547 H LEU 76 H LEU 76 -4.327 -22.884 -4.143 548 HA LEU 76 HA LEU 76 -6.917 -23.457 -5.300 549 1HB LEU 76 2HB LEU 76 -5.640 -23.824 -2.615 550 2HB LEU 76 1HB LEU 76 -7.394 -23.965 -2.743 551 HG LEU 76 HG LEU 76 -5.410 -25.493 -4.457 552 1HD1 LEU 76 1HD1 LEU 76 -5.956 -25.931 -1.793 553 2HD1 LEU 76 3HD1 LEU 76 -7.150 -26.957 -2.586 554 3HD1 LEU 76 2HD1 LEU 76 -5.434 -27.175 -2.930 555 1HD2 LEU 76 1HD2 LEU 76 -8.377 -25.225 -4.372 556 2HD2 LEU 76 3HD2 LEU 76 -7.314 -25.518 -5.748 557 3HD2 LEU 76 2HD2 LEU 76 -7.727 -26.840 -4.656 558 H LEU 77 H LEU 77 -5.788 -21.175 -2.815 559 HA LEU 77 HA LEU 77 -8.333 -20.017 -2.272 560 1HB LEU 77 2HB LEU 77 -5.637 -18.645 -2.123 561 2HB LEU 77 1HB LEU 77 -7.094 -18.207 -1.238 562 HG LEU 77 HG LEU 77 -6.054 -19.446 0.392 563 1HD1 LEU 77 3HD1 LEU 77 -8.173 -20.683 -0.528 564 2HD1 LEU 77 2HD1 LEU 77 -7.002 -21.890 -1.063 565 3HD1 LEU 77 1HD1 LEU 77 -7.139 -21.494 0.650 566 1HD2 LEU 77 2HD2 LEU 77 -4.455 -20.329 -1.819 567 2HD2 LEU 77 1HD2 LEU 77 -4.053 -20.313 -0.102 568 3HD2 LEU 77 3HD2 LEU 77 -4.872 -21.710 -0.803 569 H LYS 78 H LYS 78 -5.793 -19.129 -4.597 570 HA LYS 78 HA LYS 78 -7.178 -16.810 -5.601 571 1HB LYS 78 2HB LYS 78 -5.557 -16.840 -7.393 572 2HB LYS 78 1HB LYS 78 -4.718 -17.303 -5.912 573 1HG LYS 78 2HG LYS 78 -4.926 -19.673 -6.511 574 2HG LYS 78 1HG LYS 78 -5.827 -19.244 -7.964 575 1HD LYS 78 2HD LYS 78 -3.785 -17.823 -8.609 576 2HD LYS 78 1HD LYS 78 -2.925 -18.684 -7.333 577 1HE LYS 78 2HE LYS 78 -3.865 -20.829 -8.504 578 2HE LYS 78 1HE LYS 78 -4.086 -19.762 -9.891 579 1HZ LYS 78 1HZ LYS 78 -1.516 -19.602 -8.547 580 2HZ LYS 78 3HZ LYS 78 -1.820 -21.044 -9.386 581 3HZ LYS 78 2HZ LYS 78 -1.882 -19.557 -10.205 582 H ASP 79 H ASP 79 -7.280 -20.239 -6.352 583 HA ASP 79 HA ASP 79 -8.800 -19.926 -8.809 584 1HB ASP 79 2HB ASP 79 -8.012 -22.200 -7.029 585 2HB ASP 79 1HB ASP 79 -9.332 -22.448 -8.171 586 H VAL 80 H VAL 80 -9.562 -20.476 -5.407 587 HA VAL 80 HA VAL 80 -12.423 -20.793 -5.917 588 HB VAL 80 HB VAL 80 -11.034 -20.193 -3.291 589 1HG1 VAL 80 2HG1 VAL 80 -13.688 -21.490 -3.984 590 2HG1 VAL 80 1HG1 VAL 80 -13.031 -21.335 -2.355 591 3HG1 VAL 80 3HG1 VAL 80 -13.470 -19.893 -3.269 592 1HG2 VAL 80 1HG2 VAL 80 -10.929 -22.537 -4.992 593 2HG2 VAL 80 3HG2 VAL 80 -10.088 -22.230 -3.472 594 3HG2 VAL 80 2HG2 VAL 80 -11.710 -22.921 -3.458 595 H ALA 81 H ALA 81 -10.239 -18.215 -4.918 596 HA ALA 81 HA ALA 81 -12.067 -16.268 -4.068 597 1HB ALA 81 3HB ALA 81 -10.081 -15.045 -5.767 598 2HB ALA 81 1HB ALA 81 -9.342 -16.328 -4.810 599 3HB ALA 81 2HB ALA 81 -10.200 -15.012 -4.008 600 H LYS 82 H LYS 82 -11.112 -17.073 -7.400 601 HA LYS 82 HA LYS 82 -12.723 -15.014 -8.615 602 1HB LYS 82 2HB LYS 82 -11.820 -17.642 -9.829 603 2HB LYS 82 1HB LYS 82 -12.310 -16.191 -10.704 604 1HG LYS 82 2HG LYS 82 -10.023 -16.160 -8.731 605 2HG LYS 82 1HG LYS 82 -9.780 -16.580 -10.426 606 1HD LYS 82 2HD LYS 82 -11.050 -14.375 -10.935 607 2HD LYS 82 1HD LYS 82 -10.718 -13.964 -9.252 608 1HE LYS 82 2HE LYS 82 -8.275 -14.914 -10.210 609 2HE LYS 82 1HE LYS 82 -8.916 -13.959 -11.547 610 1HZ LYS 82 2HZ LYS 82 -9.447 -12.274 -9.670 611 2HZ LYS 82 1HZ LYS 82 -8.244 -13.114 -8.814 612 3HZ LYS 82 3HZ LYS 82 -7.869 -12.370 -10.292 613 H ILE 83 H ILE 83 -13.391 -18.224 -7.430 614 HA ILE 83 HA ILE 83 -15.799 -18.731 -8.880 615 HB ILE 83 HB ILE 83 -15.155 -19.611 -6.056 616 1HG1 ILE 83 2HG1 ILE 83 -14.299 -20.730 -8.738 617 2HG1 ILE 83 1HG1 ILE 83 -13.254 -20.153 -7.442 618 1HG2 ILE 83 3HG2 ILE 83 -16.841 -20.841 -8.258 619 2HG2 ILE 83 2HG2 ILE 83 -16.555 -21.550 -6.668 620 3HG2 ILE 83 1HG2 ILE 83 -17.462 -20.044 -6.813 621 1HD1 ILE 83 3HD1 ILE 83 -14.198 -21.956 -5.966 622 2HD1 ILE 83 2HD1 ILE 83 -15.069 -22.581 -7.366 623 3HD1 ILE 83 1HD1 ILE 83 -13.305 -22.579 -7.353 624 H PHE 84 H PHE 84 -15.231 -17.176 -5.737 625 HA PHE 84 HA PHE 84 -18.089 -16.474 -5.526 626 1HB PHE 84 2HB PHE 84 -15.719 -15.873 -3.730 627 2HB PHE 84 1HB PHE 84 -17.387 -15.425 -3.367 628 HD1 PHE 84 HD1 PHE 84 -15.061 -18.267 -3.868 629 HD2 PHE 84 HD2 PHE 84 -19.002 -17.064 -2.653 630 HE1 PHE 84 HE1 PHE 84 -15.472 -20.536 -2.954 631 HE2 PHE 84 HE2 PHE 84 -19.412 -19.332 -1.739 632 HZ PHE 84 HZ PHE 84 -17.648 -21.068 -1.889 No H/Q in entry = 632 Start of MODEL 23 1 H1 ALA 1 1H ALA 1 11.186 -13.187 3.455 2 H2 ALA 1 3H ALA 1 11.189 -14.310 4.726 3 H3 ALA 1 2H ALA 1 11.831 -14.739 3.212 4 HA ALA 1 HA ALA 1 9.811 -15.736 3.035 5 1HB ALA 1 3HB ALA 1 8.869 -13.476 4.809 6 2HB ALA 1 2HB ALA 1 7.739 -14.570 4.009 7 3HB ALA 1 1HB ALA 1 8.906 -15.203 5.172 8 H ASP 2 H ASP 2 9.222 -15.566 0.932 9 HA ASP 2 HA ASP 2 9.177 -12.961 -0.401 10 1HB ASP 2 2HB ASP 2 8.551 -15.769 -1.359 11 2HB ASP 2 1HB ASP 2 8.508 -14.346 -2.402 12 H ASP 3 H ASP 3 6.950 -14.704 1.422 13 HA ASP 3 HA ASP 3 4.519 -14.318 -0.006 14 1HB ASP 3 2HB ASP 3 5.036 -14.337 2.982 15 2HB ASP 3 1HB ASP 3 3.437 -14.432 2.244 16 H HIS 4 H HIS 4 3.136 -12.555 -0.172 17 HA HIS 4 HA HIS 4 4.160 -9.985 0.968 18 1HB HIS 4 2HB HIS 4 3.679 -10.642 -1.674 19 2HB HIS 4 1HB HIS 4 2.181 -9.839 -1.206 20 HD1 HIS 4 HD1 HIS 4 2.315 -7.436 -1.795 21 HD2 HIS 4 HD2 HIS 4 5.983 -8.866 -0.426 22 HE1 HIS 4 HE1 HIS 4 3.894 -5.458 -1.784 23 HA PRO 5 HA PRO 5 0.423 -9.666 3.372 24 1HB PRO 5 2HB PRO 5 -0.019 -6.992 3.275 25 2HB PRO 5 1HB PRO 5 1.234 -7.724 4.282 26 1HG PRO 5 2HG PRO 5 1.475 -6.465 1.566 27 2HG PRO 5 1HG PRO 5 2.499 -6.231 2.989 28 1HD PRO 5 1HD PRO 5 3.266 -7.862 1.015 29 2HD PRO 5 2HD PRO 5 3.585 -8.280 2.699 30 H GLN 6 H GLN 6 0.661 -8.496 0.132 31 HA GLN 6 HA GLN 6 -2.015 -7.704 -0.382 32 1HB GLN 6 2HB GLN 6 0.209 -8.855 -2.054 33 2HB GLN 6 1HB GLN 6 -1.383 -8.585 -2.763 34 1HG GLN 6 2HG GLN 6 0.401 -6.515 -1.450 35 2HG GLN 6 1HG GLN 6 -0.027 -6.610 -3.158 36 1HE2 GLN 6 1HE2 GLN 6 -1.246 -5.756 0.052 37 2HE2 GLN 6 2HE2 GLN 6 -2.666 -5.007 -0.493 38 H ASP 7 H ASP 7 -0.465 -10.877 -0.327 39 HA ASP 7 HA ASP 7 -2.658 -12.367 -1.406 40 1HB ASP 7 2HB ASP 7 -0.422 -13.159 0.478 41 2HB ASP 7 1HB ASP 7 -1.563 -14.310 -0.218 42 H LYS 8 H LYS 8 -1.746 -11.585 1.943 43 HA LYS 8 HA LYS 8 -3.711 -13.012 3.326 44 1HB LYS 8 2HB LYS 8 -2.382 -10.364 3.815 45 2HB LYS 8 1HB LYS 8 -3.688 -10.888 4.880 46 1HG LYS 8 2HG LYS 8 -2.388 -13.126 5.028 47 2HG LYS 8 1HG LYS 8 -1.026 -12.215 4.377 48 1HD LYS 8 2HD LYS 8 -1.407 -10.532 6.246 49 2HD LYS 8 1HD LYS 8 -2.534 -11.692 6.949 50 1HE LYS 8 2HE LYS 8 -0.795 -12.760 7.899 51 2HE LYS 8 1HE LYS 8 -0.179 -13.134 6.289 52 1HZ LYS 8 1HZ LYS 8 0.779 -10.808 6.330 53 2HZ LYS 8 3HZ LYS 8 0.453 -10.802 7.994 54 3HZ LYS 8 2HZ LYS 8 1.521 -11.952 7.344 55 H ALA 9 H ALA 9 -4.028 -9.986 1.541 56 HA ALA 9 HA ALA 9 -6.673 -9.325 2.383 57 1HB ALA 9 3HB ALA 9 -4.810 -8.435 0.361 58 2HB ALA 9 1HB ALA 9 -6.157 -7.554 1.083 59 3HB ALA 9 2HB ALA 9 -6.426 -8.572 -0.333 60 H GLU 10 H GLU 10 -5.501 -11.254 -0.360 61 HA GLU 10 HA GLU 10 -8.141 -11.952 -1.295 62 1HB GLU 10 2HB GLU 10 -5.577 -13.517 -1.701 63 2HB GLU 10 1HB GLU 10 -7.021 -13.559 -2.713 64 1HG GLU 10 2HG GLU 10 -6.677 -11.121 -3.200 65 2HG GLU 10 1HG GLU 10 -5.157 -11.200 -2.308 66 H ARG 11 H ARG 11 -5.828 -13.439 0.929 67 HA ARG 11 HA ARG 11 -7.327 -15.871 1.314 68 1HB ARG 11 2HB ARG 11 -5.212 -14.465 2.958 69 2HB ARG 11 1HB ARG 11 -5.914 -16.012 3.429 70 1HG ARG 11 2HG ARG 11 -5.245 -16.907 1.173 71 2HG ARG 11 1HG ARG 11 -4.388 -15.397 0.882 72 1HD ARG 11 2HD ARG 11 -3.769 -17.590 2.833 73 2HD ARG 11 1HD ARG 11 -2.680 -16.721 1.752 74 HE ARG 11 HE ARG 11 -3.900 -15.329 4.091 75 1HH1 ARG 11 1HH1 ARG 11 -1.490 -15.276 1.766 76 2HH1 ARG 11 2HH1 ARG 11 -0.204 -14.864 2.851 77 1HH2 ARG 11 1HH2 ARG 11 -2.123 -15.278 5.709 78 2HH2 ARG 11 2HH2 ARG 11 -0.562 -14.864 5.083 79 H GLU 12 H GLU 12 -7.212 -12.758 2.992 80 HA GLU 12 HA GLU 12 -8.979 -13.492 5.129 81 1HB GLU 12 2HB GLU 12 -8.129 -10.865 3.916 82 2HB GLU 12 1HB GLU 12 -9.330 -10.929 5.202 83 1HG GLU 12 2HG GLU 12 -7.605 -12.387 6.467 84 2HG GLU 12 1HG GLU 12 -6.439 -11.782 5.290 85 H ARG 13 H ARG 13 -9.511 -12.064 1.928 86 HA ARG 13 HA ARG 13 -12.339 -11.645 2.304 87 1HB ARG 13 2HB ARG 13 -10.667 -11.950 -0.206 88 2HB ARG 13 1HB ARG 13 -12.374 -11.506 -0.211 89 1HG ARG 13 2HG ARG 13 -11.907 -9.502 1.083 90 2HG ARG 13 1HG ARG 13 -10.220 -9.977 1.280 91 1HD ARG 13 2HD ARG 13 -9.697 -9.001 -0.679 92 2HD ARG 13 1HD ARG 13 -10.867 -10.021 -1.516 93 HE ARG 13 HE ARG 13 -12.213 -7.857 -0.176 94 1HH1 ARG 13 1HH1 ARG 13 -9.888 -8.328 -2.655 95 2HH1 ARG 13 2HH1 ARG 13 -10.608 -7.187 -3.742 96 1HH2 ARG 13 1HH2 ARG 13 -13.302 -6.510 -1.666 97 2HH2 ARG 13 2HH2 ARG 13 -12.540 -6.158 -3.182 98 H ILE 14 H ILE 14 -10.407 -14.304 0.979 99 HA ILE 14 HA ILE 14 -12.699 -15.878 0.178 100 HB ILE 14 HB ILE 14 -9.867 -16.766 0.811 101 1HG1 ILE 14 2HG1 ILE 14 -11.018 -16.265 -1.925 102 2HG1 ILE 14 1HG1 ILE 14 -10.302 -14.949 -1.003 103 1HG2 ILE 14 2HG2 ILE 14 -12.303 -18.128 -0.142 104 2HG2 ILE 14 1HG2 ILE 14 -10.874 -18.423 -1.132 105 3HG2 ILE 14 3HG2 ILE 14 -10.848 -18.806 0.590 106 1HD1 ILE 14 3HD1 ILE 14 -8.574 -17.250 -0.878 107 2HD1 ILE 14 2HD1 ILE 14 -8.953 -16.897 -2.564 108 3HD1 ILE 14 1HD1 ILE 14 -8.231 -15.653 -1.544 109 H PHE 15 H PHE 15 -10.568 -15.857 3.047 110 HA PHE 15 HA PHE 15 -11.959 -18.032 4.343 111 1HB PHE 15 2HB PHE 15 -9.656 -17.382 4.975 112 2HB PHE 15 1HB PHE 15 -10.258 -15.833 5.568 113 HD1 PHE 15 HD1 PHE 15 -10.180 -19.478 6.129 114 HD2 PHE 15 HD2 PHE 15 -11.589 -15.705 7.621 115 HE1 PHE 15 HE1 PHE 15 -10.759 -20.551 8.288 116 HE2 PHE 15 HE2 PHE 15 -12.172 -16.779 9.781 117 HZ PHE 15 HZ PHE 15 -11.759 -19.206 10.115 118 H LYS 16 H LYS 16 -12.294 -14.517 4.355 119 HA LYS 16 HA LYS 16 -14.193 -14.380 6.507 120 1HB LYS 16 2HB LYS 16 -13.470 -12.573 4.210 121 2HB LYS 16 1HB LYS 16 -14.864 -12.199 5.224 122 1HG LYS 16 2HG LYS 16 -13.385 -12.343 7.233 123 2HG LYS 16 1HG LYS 16 -12.005 -12.586 6.162 124 1HD LYS 16 2HD LYS 16 -12.610 -10.406 5.035 125 2HD LYS 16 1HD LYS 16 -13.804 -10.151 6.309 126 1HE LYS 16 2HE LYS 16 -10.816 -10.503 6.702 127 2HE LYS 16 1HE LYS 16 -11.720 -9.000 6.887 128 1HZ LYS 16 2HZ LYS 16 -13.036 -10.106 8.632 129 2HZ LYS 16 1HZ LYS 16 -12.028 -11.468 8.508 130 3HZ LYS 16 3HZ LYS 16 -11.387 -9.986 9.027 131 H ARG 17 H ARG 17 -14.467 -15.061 3.071 132 HA ARG 17 HA ARG 17 -17.349 -14.814 2.956 133 1HB ARG 17 2HB ARG 17 -15.328 -16.217 1.192 134 2HB ARG 17 1HB ARG 17 -17.056 -16.208 0.841 135 1HG ARG 17 2HG ARG 17 -15.666 -13.607 1.406 136 2HG ARG 17 1HG ARG 17 -15.495 -14.345 -0.188 137 1HD ARG 17 2HD ARG 17 -17.938 -14.418 -0.435 138 2HD ARG 17 1HD ARG 17 -18.135 -13.734 1.178 139 HE ARG 17 HE ARG 17 -16.488 -12.007 -0.426 140 1HH1 ARG 17 1HH1 ARG 17 -18.829 -11.230 1.365 141 2HH1 ARG 17 2HH1 ARG 17 -19.947 -10.603 0.201 142 1HH2 ARG 17 1HH2 ARG 17 -18.312 -12.002 -2.518 143 2HH2 ARG 17 2HH2 ARG 17 -19.654 -11.039 -1.998 144 H PHE 18 H PHE 18 -15.090 -17.439 3.645 145 HA PHE 18 HA PHE 18 -17.061 -19.539 3.650 146 1HB PHE 18 2HB PHE 18 -14.296 -19.244 4.801 147 2HB PHE 18 1HB PHE 18 -15.277 -20.657 5.188 148 HD1 PHE 18 HD1 PHE 18 -16.381 -21.889 3.157 149 HD2 PHE 18 HD2 PHE 18 -13.029 -19.222 2.832 150 HE1 PHE 18 HE1 PHE 18 -15.787 -22.902 0.972 151 HE2 PHE 18 HE2 PHE 18 -12.435 -20.235 0.647 152 HZ PHE 18 HZ PHE 18 -13.814 -22.074 -0.283 153 H ASP 19 H ASP 19 -15.633 -17.579 6.264 154 HA ASP 19 HA ASP 19 -17.117 -18.747 8.397 155 1HB ASP 19 2HB ASP 19 -15.163 -16.994 8.439 156 2HB ASP 19 1HB ASP 19 -16.467 -15.807 8.362 157 H ALA 20 H ALA 20 -19.318 -19.003 8.102 158 HA ALA 20 HA ALA 20 -20.974 -17.161 6.674 159 1HB ALA 20 1HB ALA 20 -21.554 -19.537 7.022 160 2HB ALA 20 3HB ALA 20 -21.765 -19.225 8.745 161 3HB ALA 20 2HB ALA 20 -22.844 -18.469 7.573 162 H ASN 21 H ASN 21 -20.681 -17.696 10.232 163 HA ASN 21 HA ASN 21 -22.324 -15.288 10.650 164 1HB ASN 21 2HB ASN 21 -22.215 -15.828 13.020 165 2HB ASN 21 1HB ASN 21 -22.622 -17.278 12.110 166 1HD2 ASN 21 1HD2 ASN 21 -21.351 -17.114 14.763 167 2HD2 ASN 21 2HD2 ASN 21 -19.858 -17.903 14.629 168 H GLY 22 H GLY 22 -18.957 -16.235 10.816 169 1HA GLY 22 1HA GLY 22 -18.263 -13.368 11.087 170 2HA GLY 22 2HA GLY 22 -17.159 -14.646 10.591 171 H ASP 23 H ASP 23 -17.805 -16.433 12.791 172 HA ASP 23 HA ASP 23 -17.075 -14.873 15.198 173 1HB ASP 23 2HB ASP 23 -17.334 -17.005 16.418 174 2HB ASP 23 1HB ASP 23 -18.767 -16.639 15.462 175 H GLY 24 H GLY 24 -15.400 -15.957 12.651 176 1HA GLY 24 1HA GLY 24 -12.924 -16.187 14.253 177 2HA GLY 24 2HA GLY 24 -13.006 -15.905 12.515 178 H LYS 25 H LYS 25 -15.134 -18.390 13.326 179 HA LYS 25 HA LYS 25 -13.081 -20.398 12.524 180 1HB LYS 25 2HB LYS 25 -13.999 -22.001 14.097 181 2HB LYS 25 1HB LYS 25 -13.607 -20.526 14.978 182 1HG LYS 25 2HG LYS 25 -15.900 -19.848 15.029 183 2HG LYS 25 1HG LYS 25 -16.363 -21.093 13.867 184 1HD LYS 25 2HD LYS 25 -15.500 -22.792 15.594 185 2HD LYS 25 1HD LYS 25 -15.497 -21.451 16.742 186 1HE LYS 25 2HE LYS 25 -17.623 -22.838 16.728 187 2HE LYS 25 1HE LYS 25 -17.863 -21.109 16.473 188 1HZ LYS 25 3HZ LYS 25 -17.410 -22.698 14.085 189 2HZ LYS 25 2HZ LYS 25 -18.881 -22.979 14.887 190 3HZ LYS 25 1HZ LYS 25 -18.488 -21.416 14.349 191 H ILE 26 H ILE 26 -13.777 -21.959 11.095 192 HA ILE 26 HA ILE 26 -16.552 -21.614 10.033 193 HB ILE 26 HB ILE 26 -14.244 -22.855 8.537 194 1HG1 ILE 26 2HG1 ILE 26 -15.039 -19.935 8.714 195 2HG1 ILE 26 1HG1 ILE 26 -13.486 -20.638 9.167 196 1HG2 ILE 26 3HG2 ILE 26 -16.895 -21.596 7.783 197 2HG2 ILE 26 2HG2 ILE 26 -15.648 -21.998 6.601 198 3HG2 ILE 26 1HG2 ILE 26 -16.402 -23.274 7.556 199 1HD1 ILE 26 2HD1 ILE 26 -14.142 -21.402 6.465 200 2HD1 ILE 26 1HD1 ILE 26 -14.249 -19.648 6.627 201 3HD1 ILE 26 3HD1 ILE 26 -12.752 -20.483 7.044 202 H SER 27 H SER 27 -17.876 -23.376 10.092 203 HA SER 27 HA SER 27 -16.701 -25.932 11.080 204 1HB SER 27 2HB SER 27 -18.777 -26.412 12.064 205 2HB SER 27 1HB SER 27 -18.664 -24.664 12.267 206 HG SER 27 HG SER 27 -20.320 -26.169 10.650 207 H ALA 28 H ALA 28 -17.854 -27.931 10.156 208 HA ALA 28 HA ALA 28 -17.514 -28.099 7.383 209 1HB ALA 28 1HB ALA 28 -19.710 -29.787 8.366 210 2HB ALA 28 3HB ALA 28 -18.166 -30.258 7.654 211 3HB ALA 28 2HB ALA 28 -18.263 -29.865 9.371 212 H ALA 29 H ALA 29 -20.506 -27.424 9.186 213 HA ALA 29 HA ALA 29 -22.244 -27.233 6.963 214 1HB ALA 29 2HB ALA 29 -22.424 -26.761 9.723 215 2HB ALA 29 3HB ALA 29 -23.745 -26.682 8.557 216 3HB ALA 29 1HB ALA 29 -22.844 -25.223 8.971 217 H GLU 30 H GLU 30 -20.116 -24.799 8.430 218 HA GLU 30 HA GLU 30 -20.973 -22.700 6.620 219 1HB GLU 30 2HB GLU 30 -18.521 -22.956 8.385 220 2HB GLU 30 1HB GLU 30 -18.956 -21.496 7.496 221 1HG GLU 30 2HG GLU 30 -21.134 -21.443 8.694 222 2HG GLU 30 1HG GLU 30 -20.646 -22.866 9.614 223 H LEU 31 H LEU 31 -17.956 -24.618 6.850 224 HA LEU 31 HA LEU 31 -16.824 -23.687 4.420 225 1HB LEU 31 2HB LEU 31 -15.790 -25.130 6.320 226 2HB LEU 31 1HB LEU 31 -16.479 -26.500 5.455 227 HG LEU 31 HG LEU 31 -14.721 -24.451 4.090 228 1HD1 LEU 31 1HD1 LEU 31 -13.672 -25.733 6.110 229 2HD1 LEU 31 3HD1 LEU 31 -13.740 -27.136 5.043 230 3HD1 LEU 31 2HD1 LEU 31 -12.801 -25.718 4.576 231 1HD2 LEU 31 1HD2 LEU 31 -16.238 -26.729 3.246 232 2HD2 LEU 31 3HD2 LEU 31 -15.216 -25.674 2.271 233 3HD2 LEU 31 2HD2 LEU 31 -14.526 -27.098 3.048 234 H GLY 32 H GLY 32 -18.856 -26.527 5.099 235 1HA GLY 32 1HA GLY 32 -20.172 -27.832 3.668 236 2HA GLY 32 2HA GLY 32 -18.952 -27.522 2.437 237 H GLU 33 H GLU 33 -21.042 -25.201 4.134 238 HA GLU 33 HA GLU 33 -22.954 -24.839 2.085 239 1HB GLU 33 2HB GLU 33 -21.933 -23.146 4.335 240 2HB GLU 33 1HB GLU 33 -22.996 -22.415 3.135 241 1HG GLU 33 2HG GLU 33 -23.751 -25.054 4.351 242 2HG GLU 33 1HG GLU 33 -24.029 -23.571 5.265 243 H ALA 34 H ALA 34 -19.814 -23.236 2.581 244 HA ALA 34 HA ALA 34 -20.138 -21.482 0.301 245 1HB ALA 34 2HB ALA 34 -18.512 -20.677 1.759 246 2HB ALA 34 3HB ALA 34 -17.499 -21.483 0.561 247 3HB ALA 34 1HB ALA 34 -17.868 -22.286 2.087 248 H LEU 35 H LEU 35 -18.654 -24.644 0.840 249 HA LEU 35 HA LEU 35 -17.423 -24.954 -1.691 250 1HB LEU 35 2HB LEU 35 -18.585 -26.942 0.263 251 2HB LEU 35 1HB LEU 35 -17.768 -27.441 -1.215 252 HG LEU 35 HG LEU 35 -16.602 -25.810 1.053 253 1HD1 LEU 35 3HD1 LEU 35 -16.466 -28.625 0.156 254 2HD1 LEU 35 2HD1 LEU 35 -14.908 -27.894 0.546 255 3HD1 LEU 35 1HD1 LEU 35 -16.189 -27.940 1.758 256 1HD2 LEU 35 3HD2 LEU 35 -15.679 -26.288 -1.766 257 2HD2 LEU 35 2HD2 LEU 35 -15.596 -24.813 -0.803 258 3HD2 LEU 35 1HD2 LEU 35 -14.484 -26.143 -0.477 259 H LYS 36 H LYS 36 -20.786 -25.462 -0.675 260 HA LYS 36 HA LYS 36 -21.836 -26.945 -2.752 261 1HB LYS 36 2HB LYS 36 -22.837 -24.827 -0.993 262 2HB LYS 36 1HB LYS 36 -23.678 -24.880 -2.542 263 1HG LYS 36 2HG LYS 36 -24.214 -27.222 -2.241 264 2HG LYS 36 1HG LYS 36 -23.206 -27.313 -0.796 265 1HD LYS 36 2HD LYS 36 -24.953 -25.183 -0.299 266 2HD LYS 36 1HD LYS 36 -25.961 -26.410 -1.066 267 1HE LYS 36 2HE LYS 36 -25.234 -28.079 0.558 268 2HE LYS 36 1HE LYS 36 -24.108 -26.929 1.279 269 1HZ LYS 36 1HZ LYS 36 -26.374 -25.547 1.400 270 2HZ LYS 36 3HZ LYS 36 -26.991 -27.119 1.551 271 3HZ LYS 36 2HZ LYS 36 -25.827 -26.556 2.653 272 H THR 37 H THR 37 -20.540 -23.696 -2.928 273 HA THR 37 HA THR 37 -21.649 -22.776 -5.336 274 HB THR 37 HB THR 37 -19.996 -21.588 -3.774 275 HG1 THR 37 HG1 THR 37 -20.699 -20.972 -5.997 276 1HG2 THR 37 2HG2 THR 37 -18.302 -23.461 -3.927 277 2HG2 THR 37 1HG2 THR 37 -17.964 -22.926 -5.574 278 3HG2 THR 37 3HG2 THR 37 -17.646 -21.849 -4.213 279 H LEU 38 H LEU 38 -19.351 -25.332 -4.782 280 HA LEU 38 HA LEU 38 -18.259 -25.500 -7.430 281 1HB LEU 38 2HB LEU 38 -18.634 -27.552 -5.237 282 2HB LEU 38 1HB LEU 38 -17.848 -27.936 -6.769 283 HG LEU 38 HG LEU 38 -16.780 -25.473 -5.689 284 1HD1 LEU 38 2HD1 LEU 38 -17.360 -27.580 -3.763 285 2HD1 LEU 38 1HD1 LEU 38 -15.630 -27.257 -3.868 286 3HD1 LEU 38 3HD1 LEU 38 -16.748 -25.949 -3.483 287 1HD2 LEU 38 3HD2 LEU 38 -15.888 -27.366 -7.324 288 2HD2 LEU 38 2HD2 LEU 38 -14.768 -26.436 -6.328 289 3HD2 LEU 38 1HD2 LEU 38 -15.264 -28.053 -5.825 290 H GLY 39 H GLY 39 -21.259 -26.628 -5.999 291 1HA GLY 39 1HA GLY 39 -22.477 -26.997 -8.585 292 2HA GLY 39 2HA GLY 39 -23.197 -27.448 -7.041 293 H SER 40 H SER 40 -20.321 -28.935 -6.890 294 HA SER 40 HA SER 40 -21.476 -31.507 -7.731 295 1HB SER 40 2HB SER 40 -20.533 -31.034 -9.828 296 2HB SER 40 1HB SER 40 -19.151 -30.197 -9.120 297 HG SER 40 HG SER 40 -18.386 -32.179 -8.377 298 H ILE 41 H ILE 41 -21.049 -31.032 -5.175 299 HA ILE 41 HA ILE 41 -18.622 -32.623 -4.572 300 HB ILE 41 HB ILE 41 -18.258 -30.036 -4.341 301 1HG1 ILE 41 2HG1 ILE 41 -17.630 -31.814 -1.972 302 2HG1 ILE 41 1HG1 ILE 41 -16.770 -31.899 -3.510 303 1HG2 ILE 41 2HG2 ILE 41 -20.490 -30.057 -2.879 304 2HG2 ILE 41 1HG2 ILE 41 -19.352 -30.441 -1.586 305 3HG2 ILE 41 3HG2 ILE 41 -19.168 -28.948 -2.511 306 1HD1 ILE 41 1HD1 ILE 41 -16.906 -29.154 -2.714 307 2HD1 ILE 41 3HD1 ILE 41 -16.326 -30.096 -1.339 308 3HD1 ILE 41 2HD1 ILE 41 -15.474 -30.170 -2.883 309 H THR 42 H THR 42 -18.692 -33.332 -2.197 310 HA THR 42 HA THR 42 -21.535 -33.666 -1.323 311 HB THR 42 HB THR 42 -21.290 -35.920 -1.212 312 HG1 THR 42 HG1 THR 42 -19.082 -36.693 -0.414 313 1HG2 THR 42 2HG2 THR 42 -20.170 -35.438 -3.392 314 2HG2 THR 42 1HG2 THR 42 -18.618 -35.437 -2.554 315 3HG2 THR 42 3HG2 THR 42 -19.578 -36.914 -2.630 316 HA PRO 43 HA PRO 43 -20.282 -32.256 2.684 317 1HB PRO 43 2HB PRO 43 -21.507 -33.977 4.374 318 2HB PRO 43 1HB PRO 43 -22.386 -32.740 3.470 319 1HG PRO 43 2HG PRO 43 -22.067 -35.659 2.874 320 2HG PRO 43 1HG PRO 43 -23.517 -34.655 2.766 321 1HD PRO 43 1HD PRO 43 -22.063 -35.309 0.584 322 2HD PRO 43 2HD PRO 43 -22.904 -33.765 0.719 323 H ASP 44 H ASP 44 -19.946 -35.719 2.066 324 HA ASP 44 HA ASP 44 -18.158 -36.319 4.201 325 1HB ASP 44 2HB ASP 44 -18.467 -37.578 1.462 326 2HB ASP 44 1HB ASP 44 -17.483 -38.261 2.756 327 H GLU 45 H GLU 45 -17.618 -34.778 1.078 328 HA GLU 45 HA GLU 45 -14.709 -35.094 1.258 329 1HB GLU 45 2HB GLU 45 -16.489 -33.442 -0.560 330 2HB GLU 45 1HB GLU 45 -14.732 -33.502 -0.698 331 1HG GLU 45 2HG GLU 45 -14.897 -35.994 -0.945 332 2HG GLU 45 1HG GLU 45 -16.652 -35.834 -0.966 333 H VAL 46 H VAL 46 -17.158 -32.666 1.937 334 HA VAL 46 HA VAL 46 -15.344 -30.509 2.511 335 HB VAL 46 HB VAL 46 -18.171 -31.071 3.445 336 1HG1 VAL 46 3HG1 VAL 46 -16.989 -29.568 5.018 337 2HG1 VAL 46 2HG1 VAL 46 -16.528 -28.529 3.670 338 3HG1 VAL 46 1HG1 VAL 46 -18.227 -28.699 4.111 339 1HG2 VAL 46 2HG2 VAL 46 -17.044 -30.208 0.978 340 2HG2 VAL 46 1HG2 VAL 46 -18.751 -30.303 1.410 341 3HG2 VAL 46 3HG2 VAL 46 -17.849 -28.816 1.700 342 H LYS 47 H LYS 47 -16.695 -33.142 4.413 343 HA LYS 47 HA LYS 47 -15.758 -32.185 6.973 344 1HB LYS 47 2HB LYS 47 -16.468 -34.966 5.993 345 2HB LYS 47 1HB LYS 47 -16.063 -34.596 7.668 346 1HG LYS 47 2HG LYS 47 -17.916 -32.911 7.688 347 2HG LYS 47 1HG LYS 47 -18.360 -33.435 6.064 348 1HD LYS 47 2HD LYS 47 -18.627 -35.766 6.959 349 2HD LYS 47 1HD LYS 47 -18.346 -35.130 8.579 350 1HE LYS 47 2HE LYS 47 -20.310 -33.472 7.361 351 2HE LYS 47 1HE LYS 47 -20.788 -35.144 7.064 352 1HZ LYS 47 3HZ LYS 47 -19.892 -35.031 9.679 353 2HZ LYS 47 2HZ LYS 47 -20.889 -33.671 9.472 354 3HZ LYS 47 1HZ LYS 47 -21.490 -35.227 9.147 355 H HIS 48 H HIS 48 -14.391 -34.255 4.457 356 HA HIS 48 HA HIS 48 -12.045 -35.027 5.933 357 1HB HIS 48 2HB HIS 48 -12.775 -36.227 3.907 358 2HB HIS 48 1HB HIS 48 -12.467 -34.787 2.937 359 HD1 HIS 48 HD1 HIS 48 -10.469 -35.552 1.581 360 HD2 HIS 48 HD2 HIS 48 -9.959 -36.214 5.665 361 HE1 HIS 48 HE1 HIS 48 -8.066 -36.289 1.893 362 H MET 49 H MET 49 -12.817 -32.278 3.823 363 HA MET 49 HA MET 49 -10.183 -31.216 3.619 364 1HB MET 49 2HB MET 49 -12.946 -30.042 3.458 365 2HB MET 49 1HB MET 49 -11.538 -28.984 3.439 366 1HG MET 49 2HG MET 49 -10.659 -30.636 1.599 367 2HG MET 49 1HG MET 49 -12.360 -31.075 1.442 368 1HE MET 49 2HE MET 49 -12.078 -30.625 -0.803 369 2HE MET 49 1HE MET 49 -13.600 -29.740 -0.727 370 3HE MET 49 3HE MET 49 -12.222 -29.064 -1.609 371 H MET 50 H MET 50 -12.785 -30.581 5.956 372 HA MET 50 HA MET 50 -11.343 -28.721 7.555 373 1HB MET 50 2HB MET 50 -13.632 -30.602 8.107 374 2HB MET 50 1HB MET 50 -12.955 -29.590 9.380 375 1HG MET 50 2HG MET 50 -13.268 -27.624 7.748 376 2HG MET 50 1HG MET 50 -14.286 -28.720 6.812 377 1HE MET 50 3HE MET 50 -13.413 -27.005 9.855 378 2HE MET 50 2HE MET 50 -14.897 -26.666 10.742 379 3HE MET 50 1HE MET 50 -14.068 -28.203 10.981 380 H ALA 51 H ALA 51 -11.718 -32.249 7.855 381 HA ALA 51 HA ALA 51 -10.127 -32.589 10.177 382 1HB ALA 51 1HB ALA 51 -11.106 -34.595 9.676 383 2HB ALA 51 2HB ALA 51 -9.597 -34.873 8.805 384 3HB ALA 51 3HB ALA 51 -11.027 -34.313 7.937 385 H GLU 52 H GLU 52 -9.243 -31.770 6.936 386 HA GLU 52 HA GLU 52 -6.391 -32.443 7.455 387 1HB GLU 52 2HB GLU 52 -7.952 -31.695 4.987 388 2HB GLU 52 1HB GLU 52 -6.191 -31.601 5.007 389 1HG GLU 52 2HG GLU 52 -7.601 -34.098 5.931 390 2HG GLU 52 1HG GLU 52 -7.306 -33.821 4.215 391 H ILE 53 H ILE 53 -8.541 -29.721 6.809 392 HA ILE 53 HA ILE 53 -6.374 -27.763 6.879 393 HB ILE 53 HB ILE 53 -9.380 -27.415 7.010 394 1HG1 ILE 53 2HG1 ILE 53 -7.472 -27.118 4.677 395 2HG1 ILE 53 1HG1 ILE 53 -8.495 -28.527 4.946 396 1HG2 ILE 53 1HG2 ILE 53 -7.949 -25.521 7.891 397 2HG2 ILE 53 3HG2 ILE 53 -7.252 -25.393 6.277 398 3HG2 ILE 53 2HG2 ILE 53 -8.974 -25.099 6.519 399 1HD1 ILE 53 1HD1 ILE 53 -10.202 -26.302 5.190 400 2HD1 ILE 53 3HD1 ILE 53 -9.194 -25.971 3.781 401 3HD1 ILE 53 2HD1 ILE 53 -10.144 -27.454 3.856 402 H ASP 54 H ASP 54 -8.766 -29.051 9.120 403 HA ASP 54 HA ASP 54 -8.506 -27.136 11.201 404 1HB ASP 54 2HB ASP 54 -10.140 -29.164 10.884 405 2HB ASP 54 1HB ASP 54 -8.892 -30.072 11.727 406 H THR 55 H THR 55 -6.414 -26.562 11.739 407 HA THR 55 HA THR 55 -4.204 -28.379 11.841 408 HB THR 55 HB THR 55 -3.033 -26.536 12.998 409 HG1 THR 55 HG1 THR 55 -4.238 -25.319 14.185 410 1HG2 THR 55 2HG2 THR 55 -4.026 -26.563 10.432 411 2HG2 THR 55 1HG2 THR 55 -4.578 -24.998 11.028 412 3HG2 THR 55 3HG2 THR 55 -2.859 -25.392 11.049 413 H ASP 56 H ASP 56 -6.205 -27.004 14.456 414 HA ASP 56 HA ASP 56 -4.856 -28.759 16.403 415 1HB ASP 56 2HB ASP 56 -5.955 -27.531 18.084 416 2HB ASP 56 1HB ASP 56 -5.668 -26.328 16.829 417 H GLY 57 H GLY 57 -8.013 -28.443 14.849 418 1HA GLY 57 1HA GLY 57 -8.568 -31.255 15.646 419 2HA GLY 57 2HA GLY 57 -9.328 -30.416 14.298 420 H ASP 58 H ASP 58 -9.814 -27.983 16.033 421 HA ASP 58 HA ASP 58 -11.589 -28.940 18.153 422 1HB ASP 58 2HB ASP 58 -12.104 -26.611 18.545 423 2HB ASP 58 1HB ASP 58 -10.372 -26.731 18.253 424 H GLY 59 H GLY 59 -11.865 -28.949 14.864 425 1HA GLY 59 1HA GLY 59 -14.830 -28.970 15.062 426 2HA GLY 59 2HA GLY 59 -13.887 -29.739 13.786 427 H PHE 60 H PHE 60 -12.586 -26.708 14.376 428 HA PHE 60 HA PHE 60 -14.075 -25.615 12.043 429 1HB PHE 60 2HB PHE 60 -13.344 -23.929 14.436 430 2HB PHE 60 1HB PHE 60 -14.367 -23.487 13.070 431 HD1 PHE 60 HD1 PHE 60 -16.612 -24.491 12.799 432 HD2 PHE 60 HD2 PHE 60 -14.187 -25.259 16.258 433 HE1 PHE 60 HE1 PHE 60 -18.599 -25.348 14.002 434 HE2 PHE 60 HE2 PHE 60 -16.176 -26.112 17.464 435 HZ PHE 60 HZ PHE 60 -18.385 -26.160 16.336 436 H ILE 61 H ILE 61 -12.963 -23.943 10.881 437 HA ILE 61 HA ILE 61 -10.008 -24.064 11.208 438 HB ILE 61 HB ILE 61 -11.526 -23.238 8.728 439 1HG1 ILE 61 2HG1 ILE 61 -12.169 -25.547 9.367 440 2HG1 ILE 61 1HG1 ILE 61 -11.193 -25.527 7.899 441 1HG2 ILE 61 2HG2 ILE 61 -9.102 -22.616 9.005 442 2HG2 ILE 61 1HG2 ILE 61 -8.725 -24.336 9.100 443 3HG2 ILE 61 3HG2 ILE 61 -9.414 -23.665 7.623 444 1HD1 ILE 61 3HD1 ILE 61 -9.166 -25.914 9.405 445 2HD1 ILE 61 2HD1 ILE 61 -10.314 -26.251 10.702 446 3HD1 ILE 61 1HD1 ILE 61 -10.286 -27.271 9.262 447 H SER 62 H SER 62 -8.998 -22.129 11.678 448 HA SER 62 HA SER 62 -10.703 -19.699 11.760 449 1HB SER 62 2HB SER 62 -8.438 -18.899 12.963 450 2HB SER 62 1HB SER 62 -9.697 -19.772 13.836 451 HG SER 62 HG SER 62 -7.215 -20.648 12.916 452 H PHE 63 H PHE 63 -9.402 -17.627 11.171 453 HA PHE 63 HA PHE 63 -8.646 -17.767 8.448 454 1HB PHE 63 2HB PHE 63 -9.258 -15.643 9.582 455 2HB PHE 63 1HB PHE 63 -7.742 -15.708 10.486 456 HD1 PHE 63 HD1 PHE 63 -8.739 -16.334 6.928 457 HD2 PHE 63 HD2 PHE 63 -6.132 -14.252 9.629 458 HE1 PHE 63 HE1 PHE 63 -7.552 -15.326 5.002 459 HE2 PHE 63 HE2 PHE 63 -4.939 -13.247 7.703 460 HZ PHE 63 HZ PHE 63 -5.654 -13.782 5.386 461 H GLN 64 H GLN 64 -6.648 -17.754 11.383 462 HA GLN 64 HA GLN 64 -4.111 -17.815 10.115 463 1HB GLN 64 2HB GLN 64 -4.561 -17.493 12.577 464 2HB GLN 64 1HB GLN 64 -4.874 -19.223 12.689 465 1HG GLN 64 2HG GLN 64 -2.549 -18.789 13.302 466 2HG GLN 64 1HG GLN 64 -2.592 -19.655 11.767 467 1HE2 GLN 64 1HE2 GLN 64 -0.854 -18.794 10.583 468 2HE2 GLN 64 2HE2 GLN 64 -0.587 -17.136 10.339 469 H GLU 65 H GLU 65 -6.184 -20.525 11.218 470 HA GLU 65 HA GLU 65 -4.495 -22.619 10.309 471 1HB GLU 65 2HB GLU 65 -7.490 -22.443 10.673 472 2HB GLU 65 1HB GLU 65 -6.674 -23.934 10.220 473 1HG GLU 65 2HG GLU 65 -5.279 -23.782 12.262 474 2HG GLU 65 1HG GLU 65 -6.129 -22.308 12.721 475 H PHE 66 H PHE 66 -7.192 -20.947 8.696 476 HA PHE 66 HA PHE 66 -7.038 -22.418 6.247 477 1HB PHE 66 2HB PHE 66 -8.977 -21.011 6.848 478 2HB PHE 66 1HB PHE 66 -7.970 -19.569 6.717 479 HD1 PHE 66 HD1 PHE 66 -7.185 -18.765 4.546 480 HD2 PHE 66 HD2 PHE 66 -9.654 -22.266 4.862 481 HE1 PHE 66 HE1 PHE 66 -7.619 -18.680 2.106 482 HE2 PHE 66 HE2 PHE 66 -10.088 -22.180 2.421 483 HZ PHE 66 HZ PHE 66 -9.070 -20.387 1.044 484 H THR 67 H THR 67 -5.325 -19.578 7.441 485 HA THR 67 HA THR 67 -4.113 -18.845 4.939 486 HB THR 67 HB THR 67 -3.280 -18.375 7.814 487 HG1 THR 67 HG1 THR 67 -4.789 -17.064 5.882 488 1HG2 THR 67 3HG2 THR 67 -2.104 -17.248 5.257 489 2HG2 THR 67 2HG2 THR 67 -1.705 -16.703 6.886 490 3HG2 THR 67 1HG2 THR 67 -1.291 -18.340 6.379 491 H ASP 68 H ASP 68 -2.927 -20.805 7.684 492 HA ASP 68 HA ASP 68 -0.415 -21.488 6.549 493 1HB ASP 68 2HB ASP 68 -2.185 -23.098 8.412 494 2HB ASP 68 1HB ASP 68 -0.488 -23.448 8.084 495 H PHE 69 H PHE 69 -3.625 -22.905 6.131 496 HA PHE 69 HA PHE 69 -2.625 -25.106 4.496 497 1HB PHE 69 2HB PHE 69 -4.585 -25.799 5.471 498 2HB PHE 69 1HB PHE 69 -5.244 -24.167 5.542 499 HD1 PHE 69 HD1 PHE 69 -6.000 -23.088 3.346 500 HD2 PHE 69 HD2 PHE 69 -5.275 -27.294 3.785 501 HE1 PHE 69 HE1 PHE 69 -7.361 -23.534 1.317 502 HE2 PHE 69 HE2 PHE 69 -6.627 -27.743 1.759 503 HZ PHE 69 HZ PHE 69 -7.674 -25.864 0.522 504 H GLY 70 H GLY 70 -4.110 -21.942 3.981 505 1HA GLY 70 1HA GLY 70 -4.282 -20.637 2.038 506 2HA GLY 70 2HA GLY 70 -4.552 -22.152 1.177 507 H ARG 71 H ARG 71 -1.639 -21.595 3.043 508 HA ARG 71 HA ARG 71 -0.038 -20.664 0.810 509 1HB ARG 71 2HB ARG 71 0.744 -21.886 3.474 510 2HB ARG 71 1HB ARG 71 1.890 -21.196 2.325 511 1HG ARG 71 2HG ARG 71 0.654 -19.031 2.450 512 2HG ARG 71 1HG ARG 71 -0.397 -19.733 3.680 513 1HD ARG 71 2HD ARG 71 2.595 -19.289 3.867 514 2HD ARG 71 1HD ARG 71 1.339 -18.503 4.824 515 HE ARG 71 HE ARG 71 1.047 -21.266 5.269 516 1HH1 ARG 71 1HH1 ARG 71 3.988 -21.413 5.134 517 2HH1 ARG 71 2HH1 ARG 71 4.475 -21.005 6.745 518 1HH2 ARG 71 1HH2 ARG 71 1.418 -19.606 7.597 519 2HH2 ARG 71 2HH2 ARG 71 3.019 -19.981 8.140 520 H ALA 72 H ALA 72 -0.778 -23.802 2.230 521 HA ALA 72 HA ALA 72 1.183 -25.300 0.744 522 1HB ALA 72 3HB ALA 72 0.424 -26.841 2.203 523 2HB ALA 72 1HB ALA 72 -1.035 -26.976 1.221 524 3HB ALA 72 2HB ALA 72 -0.988 -25.853 2.580 525 H ASN 73 H ASN 73 -1.827 -23.856 -0.110 526 HA ASN 73 HA ASN 73 -1.576 -25.015 -2.829 527 1HB ASN 73 2HB ASN 73 -4.229 -24.933 -1.365 528 2HB ASN 73 1HB ASN 73 -3.898 -25.650 -2.943 529 1HD2 ASN 73 1HD2 ASN 73 -3.971 -26.280 0.444 530 2HD2 ASN 73 2HD2 ASN 73 -3.252 -27.816 0.400 531 H ARG 74 H ARG 74 -0.765 -22.533 -2.418 532 HA ARG 74 HA ARG 74 -2.588 -20.407 -2.268 533 1HB ARG 74 2HB ARG 74 -0.092 -20.659 -3.973 534 2HB ARG 74 1HB ARG 74 -0.951 -19.144 -3.698 535 1HG ARG 74 2HG ARG 74 -0.612 -19.421 -1.253 536 2HG ARG 74 1HG ARG 74 0.296 -20.901 -1.560 537 1HD ARG 74 2HD ARG 74 1.860 -19.540 -3.003 538 2HD ARG 74 1HD ARG 74 1.021 -18.094 -2.442 539 HE ARG 74 HE ARG 74 1.825 -19.605 -0.163 540 1HH1 ARG 74 1HH1 ARG 74 2.375 -16.656 -1.147 541 2HH1 ARG 74 2HH1 ARG 74 4.102 -16.636 -1.009 542 1HH2 ARG 74 1HH2 ARG 74 4.380 -20.077 -0.686 543 2HH2 ARG 74 2HH2 ARG 74 5.237 -18.573 -0.749 544 H GLY 75 H GLY 75 -1.696 -22.406 -5.042 545 1HA GLY 75 1HA GLY 75 -2.753 -22.716 -7.097 546 2HA GLY 75 2HA GLY 75 -3.163 -21.002 -7.030 547 H LEU 76 H LEU 76 -4.185 -23.160 -4.484 548 HA LEU 76 HA LEU 76 -6.783 -23.775 -5.617 549 1HB LEU 76 2HB LEU 76 -5.580 -23.993 -2.861 550 2HB LEU 76 1HB LEU 76 -7.293 -24.319 -3.131 551 HG LEU 76 HG LEU 76 -4.959 -25.704 -4.485 552 1HD1 LEU 76 3HD1 LEU 76 -6.212 -26.175 -2.022 553 2HD1 LEU 76 2HD1 LEU 76 -6.930 -27.352 -3.122 554 3HD1 LEU 76 1HD1 LEU 76 -5.180 -27.300 -2.905 555 1HD2 LEU 76 3HD2 LEU 76 -7.899 -25.628 -5.038 556 2HD2 LEU 76 2HD2 LEU 76 -6.551 -25.754 -6.168 557 3HD2 LEU 76 1HD2 LEU 76 -7.055 -27.164 -5.237 558 H LEU 77 H LEU 77 -5.632 -21.429 -3.206 559 HA LEU 77 HA LEU 77 -8.224 -20.256 -2.754 560 1HB LEU 77 2HB LEU 77 -5.576 -18.840 -2.407 561 2HB LEU 77 1HB LEU 77 -7.072 -18.582 -1.510 562 HG LEU 77 HG LEU 77 -5.224 -20.975 -1.385 563 1HD1 LEU 77 2HD1 LEU 77 -5.869 -18.652 0.308 564 2HD1 LEU 77 1HD1 LEU 77 -5.885 -20.193 1.167 565 3HD1 LEU 77 3HD1 LEU 77 -4.434 -19.678 0.306 566 1HD2 LEU 77 3HD2 LEU 77 -8.098 -20.662 -0.531 567 2HD2 LEU 77 2HD2 LEU 77 -7.345 -22.004 -1.394 568 3HD2 LEU 77 1HD2 LEU 77 -7.018 -21.765 0.323 569 H LYS 78 H LYS 78 -5.978 -20.004 -5.343 570 HA LYS 78 HA LYS 78 -6.809 -17.328 -6.186 571 1HB LYS 78 2HB LYS 78 -5.215 -19.516 -7.550 572 2HB LYS 78 1HB LYS 78 -5.545 -17.948 -8.289 573 1HG LYS 78 2HG LYS 78 -4.564 -16.947 -6.109 574 2HG LYS 78 1HG LYS 78 -3.907 -18.560 -5.829 575 1HD LYS 78 2HD LYS 78 -3.439 -16.878 -8.311 576 2HD LYS 78 1HD LYS 78 -2.275 -17.122 -7.008 577 1HE LYS 78 2HE LYS 78 -1.813 -19.282 -7.645 578 2HE LYS 78 1HE LYS 78 -3.452 -19.570 -8.230 579 1HZ LYS 78 1HZ LYS 78 -2.658 -17.726 -9.951 580 2HZ LYS 78 3HZ LYS 78 -1.158 -18.441 -9.616 581 3HZ LYS 78 2HZ LYS 78 -2.434 -19.388 -10.215 582 H ASP 79 H ASP 79 -7.870 -20.607 -6.667 583 HA ASP 79 HA ASP 79 -9.558 -19.860 -8.975 584 1HB ASP 79 2HB ASP 79 -8.798 -22.410 -7.608 585 2HB ASP 79 1HB ASP 79 -10.296 -22.367 -8.535 586 H VAL 80 H VAL 80 -9.958 -21.118 -5.669 587 HA VAL 80 HA VAL 80 -12.796 -21.065 -5.610 588 HB VAL 80 HB VAL 80 -11.130 -22.037 -3.890 589 1HG1 VAL 80 2HG1 VAL 80 -9.911 -19.913 -3.502 590 2HG1 VAL 80 1HG1 VAL 80 -11.379 -19.213 -2.821 591 3HG1 VAL 80 3HG1 VAL 80 -10.587 -20.564 -2.008 592 1HG2 VAL 80 1HG2 VAL 80 -13.733 -20.669 -3.386 593 2HG2 VAL 80 3HG2 VAL 80 -13.326 -22.381 -3.262 594 3HG2 VAL 80 2HG2 VAL 80 -12.840 -21.263 -1.986 595 H ALA 81 H ALA 81 -10.410 -18.604 -4.749 596 HA ALA 81 HA ALA 81 -12.084 -16.590 -3.760 597 1HB ALA 81 1HB ALA 81 -10.325 -15.139 -5.284 598 2HB ALA 81 2HB ALA 81 -9.468 -16.671 -5.118 599 3HB ALA 81 3HB ALA 81 -9.961 -15.776 -3.680 600 H LYS 82 H LYS 82 -11.425 -17.431 -7.142 601 HA LYS 82 HA LYS 82 -12.918 -15.283 -8.306 602 1HB LYS 82 2HB LYS 82 -12.423 -18.067 -9.411 603 2HB LYS 82 1HB LYS 82 -12.919 -16.655 -10.346 604 1HG LYS 82 2HG LYS 82 -10.826 -15.495 -9.587 605 2HG LYS 82 1HG LYS 82 -10.321 -17.000 -8.820 606 1HD LYS 82 2HD LYS 82 -10.547 -18.129 -11.061 607 2HD LYS 82 1HD LYS 82 -10.836 -16.541 -11.772 608 1HE LYS 82 2HE LYS 82 -8.603 -16.270 -11.921 609 2HE LYS 82 1HE LYS 82 -8.537 -16.255 -10.159 610 1HZ LYS 82 3HZ LYS 82 -8.716 -18.856 -10.592 611 2HZ LYS 82 2HZ LYS 82 -7.925 -18.402 -12.025 612 3HZ LYS 82 1HZ LYS 82 -7.231 -18.041 -10.517 613 H ILE 83 H ILE 83 -13.875 -18.309 -6.857 614 HA ILE 83 HA ILE 83 -16.487 -18.500 -8.044 615 HB ILE 83 HB ILE 83 -15.427 -19.511 -5.390 616 1HG1 ILE 83 2HG1 ILE 83 -14.392 -20.344 -7.567 617 2HG1 ILE 83 1HG1 ILE 83 -15.087 -21.589 -6.529 618 1HG2 ILE 83 2HG2 ILE 83 -18.112 -19.462 -6.513 619 2HG2 ILE 83 1HG2 ILE 83 -17.555 -21.115 -6.245 620 3HG2 ILE 83 3HG2 ILE 83 -17.584 -19.965 -4.908 621 1HD1 ILE 83 3HD1 ILE 83 -17.192 -21.472 -7.869 622 2HD1 ILE 83 2HD1 ILE 83 -16.405 -20.320 -8.949 623 3HD1 ILE 83 1HD1 ILE 83 -15.803 -21.974 -8.832 624 H PHE 84 H PHE 84 -15.225 -16.818 -5.210 625 HA PHE 84 HA PHE 84 -17.944 -15.668 -4.756 626 1HB PHE 84 2HB PHE 84 -15.552 -15.753 -2.892 627 2HB PHE 84 1HB PHE 84 -17.146 -15.112 -2.496 628 HD1 PHE 84 HD1 PHE 84 -15.266 -18.189 -3.376 629 HD2 PHE 84 HD2 PHE 84 -18.979 -16.564 -1.955 630 HE1 PHE 84 HE1 PHE 84 -16.025 -20.467 -2.758 631 HE2 PHE 84 HE2 PHE 84 -19.739 -18.843 -1.336 632 HZ PHE 84 HZ PHE 84 -18.262 -20.795 -1.737 No H/Q in entry = 632 Start of MODEL 24 1 H1 ALA 1 1H ALA 1 10.284 -15.450 2.390 2 H2 ALA 1 3H ALA 1 10.094 -17.072 2.847 3 H3 ALA 1 2H ALA 1 11.146 -16.666 1.577 4 HA ALA 1 HA ALA 1 9.404 -17.286 0.309 5 1HB ALA 1 1HB ALA 1 7.115 -17.315 1.079 6 2HB ALA 1 3HB ALA 1 8.121 -17.936 2.388 7 3HB ALA 1 2HB ALA 1 7.511 -16.282 2.452 8 H ASP 2 H ASP 2 8.232 -16.069 -1.266 9 HA ASP 2 HA ASP 2 8.759 -13.168 -1.127 10 1HB ASP 2 2HB ASP 2 7.734 -14.982 -3.326 11 2HB ASP 2 1HB ASP 2 7.881 -13.234 -3.507 12 H ASP 3 H ASP 3 6.406 -14.980 0.128 13 HA ASP 3 HA ASP 3 3.969 -13.899 -0.884 14 1HB ASP 3 2HB ASP 3 4.671 -14.888 1.896 15 2HB ASP 3 1HB ASP 3 3.031 -14.542 1.348 16 H HIS 4 H HIS 4 2.825 -12.028 -0.340 17 HA HIS 4 HA HIS 4 4.272 -10.103 1.440 18 1HB HIS 4 2HB HIS 4 2.627 -8.547 -0.154 19 2HB HIS 4 1HB HIS 4 4.352 -8.790 -0.408 20 HD1 HIS 4 HD1 HIS 4 1.227 -10.848 -1.214 21 HD2 HIS 4 HD2 HIS 4 4.773 -9.587 -3.006 22 HE1 HIS 4 HE1 HIS 4 1.221 -11.798 -3.561 23 HA PRO 5 HA PRO 5 0.608 -9.532 3.862 24 1HB PRO 5 2HB PRO 5 0.253 -6.851 3.959 25 2HB PRO 5 1HB PRO 5 1.548 -7.679 4.830 26 1HG PRO 5 2HG PRO 5 1.650 -6.223 2.211 27 2HG PRO 5 1HG PRO 5 2.787 -6.158 3.562 28 1HD PRO 5 1HD PRO 5 3.278 -7.643 1.366 29 2HD PRO 5 2HD PRO 5 3.801 -8.157 2.970 30 H GLN 6 H GLN 6 0.670 -8.075 0.692 31 HA GLN 6 HA GLN 6 -2.069 -7.270 0.517 32 1HB GLN 6 2HB GLN 6 0.092 -7.953 -1.450 33 2HB GLN 6 1HB GLN 6 -1.565 -7.778 -2.028 34 1HG GLN 6 2HG GLN 6 -1.702 -5.523 -1.249 35 2HG GLN 6 1HG GLN 6 -0.226 -5.690 -0.298 36 1HE2 GLN 6 1HE2 GLN 6 1.646 -6.689 -1.983 37 2HE2 GLN 6 2HE2 GLN 6 1.829 -5.731 -3.371 38 H ASP 7 H ASP 7 -0.428 -10.352 -0.012 39 HA ASP 7 HA ASP 7 -2.595 -11.744 -1.234 40 1HB ASP 7 2HB ASP 7 -0.321 -12.695 0.519 41 2HB ASP 7 1HB ASP 7 -1.476 -13.800 -0.225 42 H LYS 8 H LYS 8 -1.718 -11.342 2.187 43 HA LYS 8 HA LYS 8 -3.671 -12.960 3.377 44 1HB LYS 8 2HB LYS 8 -2.303 -10.425 4.188 45 2HB LYS 8 1HB LYS 8 -3.657 -10.997 5.162 46 1HG LYS 8 2HG LYS 8 -2.411 -13.308 5.021 47 2HG LYS 8 1HG LYS 8 -1.003 -12.311 4.651 48 1HD LYS 8 2HD LYS 8 -1.616 -10.943 6.730 49 2HD LYS 8 1HD LYS 8 -2.723 -12.255 7.137 50 1HE LYS 8 2HE LYS 8 -0.554 -12.596 8.248 51 2HE LYS 8 1HE LYS 8 -0.832 -13.859 7.049 52 1HZ LYS 8 3HZ LYS 8 0.698 -11.386 6.476 53 2HZ LYS 8 2HZ LYS 8 1.426 -12.827 7.005 54 3HZ LYS 8 1HZ LYS 8 0.597 -12.785 5.523 55 H ALA 9 H ALA 9 -3.995 -9.729 1.997 56 HA ALA 9 HA ALA 9 -6.608 -9.127 2.923 57 1HB ALA 9 1HB ALA 9 -4.806 -7.865 1.287 58 2HB ALA 9 2HB ALA 9 -6.475 -7.343 1.506 59 3HB ALA 9 3HB ALA 9 -6.043 -8.355 0.128 60 H GLU 10 H GLU 10 -5.532 -10.870 0.026 61 HA GLU 10 HA GLU 10 -8.179 -11.440 -0.947 62 1HB GLU 10 2HB GLU 10 -5.646 -13.048 -1.384 63 2HB GLU 10 1HB GLU 10 -7.093 -13.075 -2.392 64 1HG GLU 10 2HG GLU 10 -6.724 -10.551 -2.703 65 2HG GLU 10 1HG GLU 10 -5.119 -10.816 -2.021 66 H ARG 11 H ARG 11 -5.905 -13.253 1.080 67 HA ARG 11 HA ARG 11 -7.537 -15.586 1.399 68 1HB ARG 11 2HB ARG 11 -5.372 -14.366 3.126 69 2HB ARG 11 1HB ARG 11 -6.128 -15.917 3.482 70 1HG ARG 11 2HG ARG 11 -5.510 -16.549 1.048 71 2HG ARG 11 1HG ARG 11 -4.436 -15.152 1.103 72 1HD ARG 11 2HD ARG 11 -3.741 -16.312 3.430 73 2HD ARG 11 1HD ARG 11 -4.248 -17.750 2.542 74 HE ARG 11 HE ARG 11 -2.095 -15.890 1.629 75 1HH1 ARG 11 1HH1 ARG 11 -1.391 -18.562 2.776 76 2HH1 ARG 11 2HH1 ARG 11 -1.220 -19.535 1.353 77 1HH2 ARG 11 1HH2 ARG 11 -2.892 -17.296 -0.699 78 2HH2 ARG 11 2HH2 ARG 11 -2.074 -18.820 -0.615 79 H GLU 12 H GLU 12 -7.283 -12.571 3.222 80 HA GLU 12 HA GLU 12 -9.043 -13.309 5.355 81 1HB GLU 12 2HB GLU 12 -8.024 -10.734 4.219 82 2HB GLU 12 1HB GLU 12 -9.383 -10.678 5.338 83 1HG GLU 12 2HG GLU 12 -7.967 -12.160 6.883 84 2HG GLU 12 1HG GLU 12 -6.608 -11.772 5.828 85 H ARG 13 H ARG 13 -9.601 -11.753 2.217 86 HA ARG 13 HA ARG 13 -12.422 -11.331 2.625 87 1HB ARG 13 2HB ARG 13 -10.847 -11.639 0.050 88 2HB ARG 13 1HB ARG 13 -12.498 -11.031 0.164 89 1HG ARG 13 2HG ARG 13 -11.791 -9.117 1.432 90 2HG ARG 13 1HG ARG 13 -10.174 -9.781 1.646 91 1HD ARG 13 2HD ARG 13 -9.820 -8.296 -0.116 92 2HD ARG 13 1HD ARG 13 -10.152 -9.792 -0.991 93 HE ARG 13 HE ARG 13 -12.235 -8.880 -1.685 94 1HH1 ARG 13 1HH1 ARG 13 -10.960 -7.163 1.006 95 2HH1 ARG 13 2HH1 ARG 13 -11.903 -5.738 0.720 96 1HH2 ARG 13 1HH2 ARG 13 -13.348 -6.957 -2.188 97 2HH2 ARG 13 2HH2 ARG 13 -13.253 -5.622 -1.088 98 H ILE 14 H ILE 14 -10.520 -13.957 1.203 99 HA ILE 14 HA ILE 14 -12.815 -15.499 0.358 100 HB ILE 14 HB ILE 14 -10.017 -16.468 1.008 101 1HG1 ILE 14 2HG1 ILE 14 -10.990 -15.829 -1.756 102 2HG1 ILE 14 1HG1 ILE 14 -10.414 -14.519 -0.728 103 1HG2 ILE 14 1HG2 ILE 14 -11.772 -18.223 0.770 104 2HG2 ILE 14 3HG2 ILE 14 -12.154 -17.588 -0.830 105 3HG2 ILE 14 2HG2 ILE 14 -10.570 -18.297 -0.519 106 1HD1 ILE 14 1HD1 ILE 14 -8.860 -17.038 -1.398 107 2HD1 ILE 14 3HD1 ILE 14 -8.581 -15.447 -2.108 108 3HD1 ILE 14 2HD1 ILE 14 -8.283 -15.711 -0.390 109 H PHE 15 H PHE 15 -10.695 -15.579 3.227 110 HA PHE 15 HA PHE 15 -12.057 -17.783 4.473 111 1HB PHE 15 2HB PHE 15 -9.797 -17.058 5.171 112 2HB PHE 15 1HB PHE 15 -10.471 -15.540 5.770 113 HD1 PHE 15 HD1 PHE 15 -10.271 -19.186 6.279 114 HD2 PHE 15 HD2 PHE 15 -11.859 -15.496 7.792 115 HE1 PHE 15 HE1 PHE 15 -10.864 -20.316 8.404 116 HE2 PHE 15 HE2 PHE 15 -12.453 -16.625 9.921 117 HZ PHE 15 HZ PHE 15 -11.959 -19.040 10.227 118 H LYS 16 H LYS 16 -12.529 -14.286 4.527 119 HA LYS 16 HA LYS 16 -14.479 -14.251 6.635 120 1HB LYS 16 2HB LYS 16 -13.839 -12.388 4.349 121 2HB LYS 16 1HB LYS 16 -15.208 -12.078 5.416 122 1HG LYS 16 2HG LYS 16 -13.707 -12.113 7.368 123 2HG LYS 16 1HG LYS 16 -12.334 -12.458 6.317 124 1HD LYS 16 2HD LYS 16 -12.297 -10.094 6.719 125 2HD LYS 16 1HD LYS 16 -12.903 -10.306 5.076 126 1HE LYS 16 2HE LYS 16 -14.975 -9.525 5.610 127 2HE LYS 16 1HE LYS 16 -14.985 -10.345 7.171 128 1HZ LYS 16 3HZ LYS 16 -13.085 -8.494 7.539 129 2HZ LYS 16 2HZ LYS 16 -14.139 -7.665 6.496 130 3HZ LYS 16 1HZ LYS 16 -14.712 -8.286 7.969 131 H ARG 17 H ARG 17 -14.648 -14.951 3.201 132 HA ARG 17 HA ARG 17 -17.533 -14.799 3.012 133 1HB ARG 17 2HB ARG 17 -15.399 -16.086 1.303 134 2HB ARG 17 1HB ARG 17 -17.115 -16.222 0.919 135 1HG ARG 17 2HG ARG 17 -17.169 -13.649 1.136 136 2HG ARG 17 1HG ARG 17 -15.412 -13.733 1.038 137 1HD ARG 17 2HD ARG 17 -15.882 -15.235 -1.067 138 2HD ARG 17 1HD ARG 17 -17.461 -14.449 -1.040 139 HE ARG 17 HE ARG 17 -16.129 -12.256 -1.096 140 1HH1 ARG 17 1HH1 ARG 17 -14.089 -14.897 -1.479 141 2HH1 ARG 17 2HH1 ARG 17 -13.354 -14.339 -2.944 142 1HH2 ARG 17 1HH2 ARG 17 -15.535 -11.673 -3.338 143 2HH2 ARG 17 2HH2 ARG 17 -14.171 -12.514 -3.997 144 H PHE 18 H PHE 18 -15.198 -17.328 3.782 145 HA PHE 18 HA PHE 18 -17.099 -19.500 3.746 146 1HB PHE 18 2HB PHE 18 -14.353 -19.111 4.908 147 2HB PHE 18 1HB PHE 18 -15.290 -20.548 5.314 148 HD1 PHE 18 HD1 PHE 18 -16.269 -21.928 3.368 149 HD2 PHE 18 HD2 PHE 18 -13.167 -18.998 2.871 150 HE1 PHE 18 HE1 PHE 18 -15.642 -22.960 1.201 151 HE2 PHE 18 HE2 PHE 18 -12.540 -20.030 0.704 152 HZ PHE 18 HZ PHE 18 -13.778 -22.011 -0.131 153 H ASP 19 H ASP 19 -15.730 -17.532 6.388 154 HA ASP 19 HA ASP 19 -17.212 -18.741 8.494 155 1HB ASP 19 2HB ASP 19 -15.291 -16.947 8.560 156 2HB ASP 19 1HB ASP 19 -16.620 -15.788 8.492 157 H ALA 20 H ALA 20 -19.411 -19.037 8.172 158 HA ALA 20 HA ALA 20 -21.084 -17.208 6.750 159 1HB ALA 20 3HB ALA 20 -21.516 -19.588 8.504 160 2HB ALA 20 1HB ALA 20 -22.010 -19.321 6.833 161 3HB ALA 20 2HB ALA 20 -22.899 -18.552 8.148 162 H ASN 21 H ASN 21 -20.823 -17.781 10.304 163 HA ASN 21 HA ASN 21 -22.499 -15.398 10.733 164 1HB ASN 21 2HB ASN 21 -22.415 -15.961 13.091 165 2HB ASN 21 1HB ASN 21 -22.765 -17.417 12.169 166 1HD2 ASN 21 1HD2 ASN 21 -21.533 -17.209 14.845 167 2HD2 ASN 21 2HD2 ASN 21 -20.021 -17.964 14.731 168 H GLY 22 H GLY 22 -19.133 -16.287 10.812 169 1HA GLY 22 1HA GLY 22 -18.452 -13.430 11.112 170 2HA GLY 22 2HA GLY 22 -17.336 -14.711 10.650 171 H ASP 23 H ASP 23 -17.925 -16.484 12.841 172 HA ASP 23 HA ASP 23 -17.270 -14.878 15.243 173 1HB ASP 23 2HB ASP 23 -17.525 -16.992 16.493 174 2HB ASP 23 1HB ASP 23 -18.949 -16.653 15.515 175 H GLY 24 H GLY 24 -15.545 -15.939 12.739 176 1HA GLY 24 1HA GLY 24 -13.095 -16.158 14.379 177 2HA GLY 24 2HA GLY 24 -13.149 -15.865 12.643 178 H LYS 25 H LYS 25 -15.261 -18.379 13.431 179 HA LYS 25 HA LYS 25 -13.176 -20.360 12.636 180 1HB LYS 25 2HB LYS 25 -14.038 -21.967 14.207 181 2HB LYS 25 1HB LYS 25 -13.783 -20.467 15.098 182 1HG LYS 25 2HG LYS 25 -16.121 -19.933 15.018 183 2HG LYS 25 1HG LYS 25 -16.443 -21.234 13.873 184 1HD LYS 25 2HD LYS 25 -15.487 -22.796 15.719 185 2HD LYS 25 1HD LYS 25 -15.762 -21.430 16.803 186 1HE LYS 25 2HE LYS 25 -18.141 -21.459 15.534 187 2HE LYS 25 1HE LYS 25 -17.732 -23.170 15.406 188 1HZ LYS 25 1HZ LYS 25 -17.141 -22.869 17.906 189 2HZ LYS 25 3HZ LYS 25 -18.194 -21.543 17.805 190 3HZ LYS 25 2HZ LYS 25 -18.756 -23.104 17.433 191 H ILE 26 H ILE 26 -13.837 -21.915 11.183 192 HA ILE 26 HA ILE 26 -16.611 -21.611 10.103 193 HB ILE 26 HB ILE 26 -14.282 -22.805 8.604 194 1HG1 ILE 26 2HG1 ILE 26 -15.105 -19.892 8.783 195 2HG1 ILE 26 1HG1 ILE 26 -13.559 -20.579 9.280 196 1HG2 ILE 26 2HG2 ILE 26 -16.975 -21.629 7.903 197 2HG2 ILE 26 1HG2 ILE 26 -15.715 -21.854 6.690 198 3HG2 ILE 26 3HG2 ILE 26 -16.367 -23.247 7.553 199 1HD1 ILE 26 3HD1 ILE 26 -14.158 -21.341 6.558 200 2HD1 ILE 26 2HD1 ILE 26 -14.238 -19.587 6.728 201 3HD1 ILE 26 1HD1 ILE 26 -12.768 -20.450 7.175 202 H SER 27 H SER 27 -17.898 -23.399 10.130 203 HA SER 27 HA SER 27 -16.674 -25.948 11.081 204 1HB SER 27 2HB SER 27 -18.747 -26.488 12.068 205 2HB SER 27 1HB SER 27 -18.608 -24.753 12.352 206 HG SER 27 HG SER 27 -20.611 -25.096 11.505 207 H ALA 28 H ALA 28 -17.880 -27.946 10.173 208 HA ALA 28 HA ALA 28 -17.561 -28.108 7.397 209 1HB ALA 28 2HB ALA 28 -19.681 -29.875 8.056 210 2HB ALA 28 1HB ALA 28 -17.966 -30.264 7.918 211 3HB ALA 28 3HB ALA 28 -18.638 -29.786 9.476 212 H ALA 29 H ALA 29 -20.551 -27.463 9.220 213 HA ALA 29 HA ALA 29 -22.295 -27.240 7.011 214 1HB ALA 29 3HB ALA 29 -23.219 -27.237 9.232 215 2HB ALA 29 2HB ALA 29 -22.287 -25.808 9.678 216 3HB ALA 29 1HB ALA 29 -23.608 -25.672 8.517 217 H GLU 30 H GLU 30 -20.136 -24.824 8.463 218 HA GLU 30 HA GLU 30 -21.013 -22.721 6.659 219 1HB GLU 30 2HB GLU 30 -18.562 -22.955 8.429 220 2HB GLU 30 1HB GLU 30 -19.022 -21.496 7.552 221 1HG GLU 30 2HG GLU 30 -21.199 -21.488 8.750 222 2HG GLU 30 1HG GLU 30 -20.692 -22.913 9.654 223 H LEU 31 H LEU 31 -17.992 -24.627 6.905 224 HA LEU 31 HA LEU 31 -16.844 -23.685 4.485 225 1HB LEU 31 2HB LEU 31 -15.774 -25.106 6.351 226 2HB LEU 31 1HB LEU 31 -16.512 -26.494 5.556 227 HG LEU 31 HG LEU 31 -14.858 -24.550 3.960 228 1HD1 LEU 31 1HD1 LEU 31 -13.778 -25.707 6.174 229 2HD1 LEU 31 3HD1 LEU 31 -13.515 -26.987 4.988 230 3HD1 LEU 31 2HD1 LEU 31 -12.859 -25.372 4.707 231 1HD2 LEU 31 1HD2 LEU 31 -16.319 -26.845 3.367 232 2HD2 LEU 31 3HD2 LEU 31 -15.085 -26.112 2.343 233 3HD2 LEU 31 2HD2 LEU 31 -14.654 -27.419 3.445 234 H GLY 32 H GLY 32 -18.874 -26.535 5.131 235 1HA GLY 32 1HA GLY 32 -20.176 -27.832 3.681 236 2HA GLY 32 2HA GLY 32 -18.949 -27.509 2.459 237 H GLU 33 H GLU 33 -21.066 -25.219 4.168 238 HA GLU 33 HA GLU 33 -22.959 -24.840 2.100 239 1HB GLU 33 2HB GLU 33 -21.979 -23.173 4.390 240 2HB GLU 33 1HB GLU 33 -23.041 -22.438 3.192 241 1HG GLU 33 2HG GLU 33 -23.799 -25.108 4.314 242 2HG GLU 33 1HG GLU 33 -24.046 -23.677 5.315 243 H ALA 34 H ALA 34 -19.833 -23.236 2.663 244 HA ALA 34 HA ALA 34 -20.143 -21.445 0.404 245 1HB ALA 34 2HB ALA 34 -18.573 -20.665 1.959 246 2HB ALA 34 3HB ALA 34 -17.535 -21.354 0.709 247 3HB ALA 34 1HB ALA 34 -17.861 -22.263 2.184 248 H LEU 35 H LEU 35 -18.600 -24.582 0.943 249 HA LEU 35 HA LEU 35 -17.331 -24.841 -1.576 250 1HB LEU 35 2HB LEU 35 -18.411 -26.818 0.419 251 2HB LEU 35 1HB LEU 35 -17.744 -27.369 -1.113 252 HG LEU 35 HG LEU 35 -16.331 -25.747 1.017 253 1HD1 LEU 35 1HD1 LEU 35 -16.211 -28.566 0.005 254 2HD1 LEU 35 3HD1 LEU 35 -14.728 -27.816 0.595 255 3HD1 LEU 35 2HD1 LEU 35 -16.122 -27.972 1.662 256 1HD2 LEU 35 2HD2 LEU 35 -15.817 -26.058 -1.874 257 2HD2 LEU 35 1HD2 LEU 35 -15.241 -24.822 -0.756 258 3HD2 LEU 35 3HD2 LEU 35 -14.425 -26.384 -0.841 259 H LYS 36 H LYS 36 -20.702 -25.352 -0.621 260 HA LYS 36 HA LYS 36 -21.719 -26.864 -2.693 261 1HB LYS 36 2HB LYS 36 -22.743 -24.843 -0.907 262 2HB LYS 36 1HB LYS 36 -23.474 -24.654 -2.500 263 1HG LYS 36 2HG LYS 36 -24.076 -27.054 -2.500 264 2HG LYS 36 1HG LYS 36 -23.360 -27.229 -0.898 265 1HD LYS 36 2HD LYS 36 -25.178 -25.000 -0.877 266 2HD LYS 36 1HD LYS 36 -26.006 -26.411 -1.535 267 1HE LYS 36 2HE LYS 36 -25.443 -27.730 0.410 268 2HE LYS 36 1HE LYS 36 -24.391 -26.457 1.030 269 1HZ LYS 36 1HZ LYS 36 -26.512 -25.034 0.925 270 2HZ LYS 36 3HZ LYS 36 -27.334 -26.518 0.876 271 3HZ LYS 36 2HZ LYS 36 -26.338 -26.142 2.200 272 H THR 37 H THR 37 -20.343 -23.663 -2.911 273 HA THR 37 HA THR 37 -21.412 -22.728 -5.330 274 HB THR 37 HB THR 37 -19.725 -21.575 -3.789 275 HG1 THR 37 HG1 THR 37 -19.181 -20.289 -5.424 276 1HG2 THR 37 1HG2 THR 37 -18.130 -23.575 -3.944 277 2HG2 THR 37 3HG2 THR 37 -17.694 -22.965 -5.540 278 3HG2 THR 37 2HG2 THR 37 -17.403 -21.976 -4.108 279 H LEU 38 H LEU 38 -19.208 -25.358 -4.744 280 HA LEU 38 HA LEU 38 -18.133 -25.587 -7.398 281 1HB LEU 38 2HB LEU 38 -18.533 -27.601 -5.175 282 2HB LEU 38 1HB LEU 38 -17.745 -28.008 -6.699 283 HG LEU 38 HG LEU 38 -16.636 -25.553 -5.678 284 1HD1 LEU 38 3HD1 LEU 38 -17.196 -27.673 -3.696 285 2HD1 LEU 38 2HD1 LEU 38 -15.523 -27.116 -3.727 286 3HD1 LEU 38 1HD1 LEU 38 -16.830 -25.966 -3.446 287 1HD2 LEU 38 1HD2 LEU 38 -15.821 -27.754 -7.105 288 2HD2 LEU 38 3HD2 LEU 38 -14.731 -26.536 -6.441 289 3HD2 LEU 38 2HD2 LEU 38 -15.036 -28.028 -5.549 290 H GLY 39 H GLY 39 -21.120 -26.672 -5.898 291 1HA GLY 39 1HA GLY 39 -22.450 -26.990 -8.413 292 2HA GLY 39 2HA GLY 39 -23.065 -27.565 -6.864 293 H SER 40 H SER 40 -20.211 -28.986 -6.831 294 HA SER 40 HA SER 40 -21.278 -31.515 -7.877 295 1HB SER 40 2HB SER 40 -19.308 -29.898 -9.332 296 2HB SER 40 1HB SER 40 -18.764 -31.548 -9.026 297 HG SER 40 HG SER 40 -21.050 -32.052 -9.772 298 H ILE 41 H ILE 41 -20.775 -30.938 -5.262 299 HA ILE 41 HA ILE 41 -18.374 -32.618 -4.730 300 HB ILE 41 HB ILE 41 -17.964 -30.094 -4.354 301 1HG1 ILE 41 2HG1 ILE 41 -17.591 -31.626 -1.806 302 2HG1 ILE 41 1HG1 ILE 41 -16.817 -32.224 -3.274 303 1HG2 ILE 41 1HG2 ILE 41 -20.342 -30.133 -3.075 304 2HG2 ILE 41 3HG2 ILE 41 -19.275 -30.438 -1.703 305 3HG2 ILE 41 2HG2 ILE 41 -19.070 -28.978 -2.675 306 1HD1 ILE 41 3HD1 ILE 41 -16.436 -29.377 -3.096 307 2HD1 ILE 41 2HD1 ILE 41 -15.930 -30.125 -1.582 308 3HD1 ILE 41 1HD1 ILE 41 -15.216 -30.651 -3.107 309 H THR 42 H THR 42 -18.464 -33.324 -2.303 310 HA THR 42 HA THR 42 -21.318 -33.827 -1.562 311 HB THR 42 HB THR 42 -20.964 -36.070 -1.442 312 HG1 THR 42 HG1 THR 42 -18.777 -36.782 -0.629 313 1HG2 THR 42 3HG2 THR 42 -19.897 -35.543 -3.617 314 2HG2 THR 42 2HG2 THR 42 -18.342 -35.388 -2.799 315 3HG2 THR 42 1HG2 THR 42 -19.160 -36.951 -2.851 316 HA PRO 43 HA PRO 43 -20.299 -32.433 2.512 317 1HB PRO 43 2HB PRO 43 -21.470 -34.259 4.129 318 2HB PRO 43 1HB PRO 43 -22.393 -33.063 3.214 319 1HG PRO 43 2HG PRO 43 -21.868 -35.944 2.581 320 2HG PRO 43 1HG PRO 43 -23.375 -35.034 2.441 321 1HD PRO 43 1HD PRO 43 -21.814 -35.548 0.297 322 2HD PRO 43 2HD PRO 43 -22.752 -34.060 0.435 323 H ASP 44 H ASP 44 -19.723 -35.859 1.864 324 HA ASP 44 HA ASP 44 -17.964 -36.351 4.056 325 1HB ASP 44 2HB ASP 44 -18.103 -37.653 1.323 326 2HB ASP 44 1HB ASP 44 -17.173 -38.281 2.683 327 H GLU 45 H GLU 45 -17.432 -34.755 0.962 328 HA GLU 45 HA GLU 45 -14.516 -34.957 1.211 329 1HB GLU 45 2HB GLU 45 -16.252 -33.274 -0.629 330 2HB GLU 45 1HB GLU 45 -14.502 -33.454 -0.762 331 1HG GLU 45 2HG GLU 45 -16.413 -35.802 -0.833 332 2HG GLU 45 1HG GLU 45 -15.856 -34.971 -2.286 333 H VAL 46 H VAL 46 -17.068 -32.570 1.716 334 HA VAL 46 HA VAL 46 -15.376 -30.374 2.407 335 HB VAL 46 HB VAL 46 -18.200 -31.080 3.237 336 1HG1 VAL 46 3HG1 VAL 46 -16.458 -29.223 4.469 337 2HG1 VAL 46 2HG1 VAL 46 -17.544 -28.274 3.455 338 3HG1 VAL 46 1HG1 VAL 46 -18.204 -29.353 4.685 339 1HG2 VAL 46 3HG2 VAL 46 -17.063 -30.116 0.846 340 2HG2 VAL 46 2HG2 VAL 46 -18.777 -30.166 1.261 341 3HG2 VAL 46 1HG2 VAL 46 -17.827 -28.720 1.604 342 H LYS 47 H LYS 47 -16.664 -33.080 4.252 343 HA LYS 47 HA LYS 47 -15.778 -32.121 6.833 344 1HB LYS 47 2HB LYS 47 -16.570 -34.834 5.764 345 2HB LYS 47 1HB LYS 47 -15.969 -34.638 7.411 346 1HG LYS 47 2HG LYS 47 -17.747 -32.845 7.721 347 2HG LYS 47 1HG LYS 47 -18.423 -33.362 6.176 348 1HD LYS 47 2HD LYS 47 -18.378 -35.749 7.215 349 2HD LYS 47 1HD LYS 47 -18.226 -34.905 8.757 350 1HE LYS 47 2HE LYS 47 -20.412 -34.348 8.747 351 2HE LYS 47 1HE LYS 47 -20.296 -33.704 7.109 352 1HZ LYS 47 2HZ LYS 47 -20.270 -36.610 7.456 353 2HZ LYS 47 1HZ LYS 47 -21.750 -35.799 7.645 354 3HZ LYS 47 3HZ LYS 47 -20.898 -35.676 6.184 355 H HIS 48 H HIS 48 -14.360 -34.132 4.302 356 HA HIS 48 HA HIS 48 -12.016 -34.895 5.787 357 1HB HIS 48 2HB HIS 48 -12.602 -36.136 3.797 358 2HB HIS 48 1HB HIS 48 -12.538 -34.676 2.810 359 HD1 HIS 48 HD1 HIS 48 -10.644 -35.826 1.352 360 HD2 HIS 48 HD2 HIS 48 -9.610 -35.140 5.332 361 HE1 HIS 48 HE1 HIS 48 -8.128 -36.088 1.494 362 H MET 49 H MET 49 -12.804 -32.120 3.714 363 HA MET 49 HA MET 49 -10.174 -31.039 3.551 364 1HB MET 49 2HB MET 49 -12.943 -29.890 3.359 365 2HB MET 49 1HB MET 49 -11.549 -28.813 3.394 366 1HG MET 49 2HG MET 49 -10.613 -30.446 1.548 367 2HG MET 49 1HG MET 49 -12.315 -30.853 1.330 368 1HE MET 49 1HE MET 49 -13.492 -29.956 -0.387 369 2HE MET 49 3HE MET 49 -13.014 -28.580 -1.391 370 3HE MET 49 2HE MET 49 -11.947 -29.973 -1.235 371 H MET 50 H MET 50 -12.804 -30.476 5.872 372 HA MET 50 HA MET 50 -11.386 -28.626 7.517 373 1HB MET 50 2HB MET 50 -13.704 -30.490 7.965 374 2HB MET 50 1HB MET 50 -13.021 -29.583 9.311 375 1HG MET 50 2HG MET 50 -13.257 -27.510 7.786 376 2HG MET 50 1HG MET 50 -14.316 -28.521 6.802 377 1HE MET 50 1HE MET 50 -13.421 -26.853 9.854 378 2HE MET 50 3HE MET 50 -14.892 -26.598 10.803 379 3HE MET 50 2HE MET 50 -13.990 -28.102 10.959 380 H ALA 51 H ALA 51 -11.786 -32.156 7.779 381 HA ALA 51 HA ALA 51 -10.204 -32.523 10.105 382 1HB ALA 51 2HB ALA 51 -11.335 -34.459 9.496 383 2HB ALA 51 3HB ALA 51 -9.721 -34.830 8.890 384 3HB ALA 51 1HB ALA 51 -10.969 -34.256 7.783 385 H GLU 52 H GLU 52 -9.306 -31.656 6.892 386 HA GLU 52 HA GLU 52 -6.463 -32.382 7.397 387 1HB GLU 52 2HB GLU 52 -8.036 -31.634 4.945 388 2HB GLU 52 1HB GLU 52 -6.281 -31.460 4.953 389 1HG GLU 52 2HG GLU 52 -6.315 -33.911 5.893 390 2HG GLU 52 1HG GLU 52 -7.936 -33.958 5.200 391 H ILE 53 H ILE 53 -8.583 -29.622 6.808 392 HA ILE 53 HA ILE 53 -6.386 -27.698 6.901 393 HB ILE 53 HB ILE 53 -9.389 -27.318 7.041 394 1HG1 ILE 53 2HG1 ILE 53 -7.454 -26.996 4.731 395 2HG1 ILE 53 1HG1 ILE 53 -8.531 -28.374 4.951 396 1HG2 ILE 53 2HG2 ILE 53 -7.109 -25.366 6.619 397 2HG2 ILE 53 1HG2 ILE 53 -8.811 -24.975 6.374 398 3HG2 ILE 53 3HG2 ILE 53 -8.227 -25.402 7.982 399 1HD1 ILE 53 2HD1 ILE 53 -9.837 -25.727 5.120 400 2HD1 ILE 53 1HD1 ILE 53 -9.197 -26.146 3.531 401 3HD1 ILE 53 3HD1 ILE 53 -10.374 -27.201 4.313 402 H ASP 54 H ASP 54 -8.788 -29.002 9.123 403 HA ASP 54 HA ASP 54 -8.498 -27.143 11.246 404 1HB ASP 54 2HB ASP 54 -10.130 -29.171 10.883 405 2HB ASP 54 1HB ASP 54 -8.881 -30.085 11.719 406 H THR 55 H THR 55 -6.395 -26.587 11.784 407 HA THR 55 HA THR 55 -4.203 -28.440 11.835 408 HB THR 55 HB THR 55 -3.006 -26.606 13.030 409 HG1 THR 55 HG1 THR 55 -4.300 -25.426 14.184 410 1HG2 THR 55 3HG2 THR 55 -4.629 -26.068 10.553 411 2HG2 THR 55 2HG2 THR 55 -3.541 -24.837 11.195 412 3HG2 THR 55 1HG2 THR 55 -2.903 -26.403 10.693 413 H ASP 56 H ASP 56 -6.181 -27.055 14.459 414 HA ASP 56 HA ASP 56 -4.810 -28.793 16.407 415 1HB ASP 56 2HB ASP 56 -5.920 -27.563 18.089 416 2HB ASP 56 1HB ASP 56 -5.605 -26.366 16.834 417 H GLY 57 H GLY 57 -7.980 -28.487 14.881 418 1HA GLY 57 1HA GLY 57 -8.528 -31.295 15.702 419 2HA GLY 57 2HA GLY 57 -9.294 -30.470 14.349 420 H ASP 58 H ASP 58 -9.793 -28.019 16.046 421 HA ASP 58 HA ASP 58 -11.565 -28.967 18.178 422 1HB ASP 58 2HB ASP 58 -12.059 -26.648 18.586 423 2HB ASP 58 1HB ASP 58 -10.333 -26.750 18.251 424 H GLY 59 H GLY 59 -11.821 -28.943 14.877 425 1HA GLY 59 1HA GLY 59 -14.785 -28.991 15.064 426 2HA GLY 59 2HA GLY 59 -13.833 -29.728 13.778 427 H PHE 60 H PHE 60 -12.573 -26.686 14.441 428 HA PHE 60 HA PHE 60 -14.077 -25.573 12.122 429 1HB PHE 60 2HB PHE 60 -13.323 -23.916 14.533 430 2HB PHE 60 1HB PHE 60 -14.357 -23.457 13.180 431 HD1 PHE 60 HD1 PHE 60 -16.556 -24.659 12.843 432 HD2 PHE 60 HD2 PHE 60 -14.202 -25.072 16.410 433 HE1 PHE 60 HE1 PHE 60 -18.535 -25.536 14.047 434 HE2 PHE 60 HE2 PHE 60 -16.183 -25.944 17.616 435 HZ PHE 60 HZ PHE 60 -18.352 -26.180 16.435 436 H ILE 61 H ILE 61 -12.974 -23.898 10.954 437 HA ILE 61 HA ILE 61 -10.019 -24.032 11.253 438 HB ILE 61 HB ILE 61 -11.561 -23.157 8.805 439 1HG1 ILE 61 2HG1 ILE 61 -12.237 -25.460 9.401 440 2HG1 ILE 61 1HG1 ILE 61 -11.244 -25.448 7.944 441 1HG2 ILE 61 2HG2 ILE 61 -8.738 -24.162 9.280 442 2HG2 ILE 61 1HG2 ILE 61 -9.419 -23.801 7.693 443 3HG2 ILE 61 3HG2 ILE 61 -9.206 -22.510 8.876 444 1HD1 ILE 61 3HD1 ILE 61 -9.241 -25.870 9.487 445 2HD1 ILE 61 2HD1 ILE 61 -10.421 -26.219 10.749 446 3HD1 ILE 61 1HD1 ILE 61 -10.370 -27.212 9.293 447 H SER 62 H SER 62 -9.013 -22.121 11.788 448 HA SER 62 HA SER 62 -10.692 -19.686 11.959 449 1HB SER 62 2HB SER 62 -7.872 -20.126 12.988 450 2HB SER 62 1HB SER 62 -8.963 -18.807 13.413 451 HG SER 62 HG SER 62 -8.725 -21.011 14.694 452 H PHE 63 H PHE 63 -9.521 -17.606 11.291 453 HA PHE 63 HA PHE 63 -8.836 -17.700 8.555 454 1HB PHE 63 2HB PHE 63 -9.455 -15.599 9.692 455 2HB PHE 63 1HB PHE 63 -7.951 -15.653 10.615 456 HD1 PHE 63 HD1 PHE 63 -8.856 -16.255 7.026 457 HD2 PHE 63 HD2 PHE 63 -6.392 -14.113 9.814 458 HE1 PHE 63 HE1 PHE 63 -7.670 -15.169 5.140 459 HE2 PHE 63 HE2 PHE 63 -5.201 -13.028 7.928 460 HZ PHE 63 HZ PHE 63 -5.845 -13.555 5.589 461 H GLN 64 H GLN 64 -6.767 -17.739 11.429 462 HA GLN 64 HA GLN 64 -4.260 -17.717 10.080 463 1HB GLN 64 2HB GLN 64 -4.646 -17.416 12.557 464 2HB GLN 64 1HB GLN 64 -4.922 -19.153 12.666 465 1HG GLN 64 2HG GLN 64 -2.593 -18.706 13.214 466 2HG GLN 64 1HG GLN 64 -2.655 -19.517 11.648 467 1HE2 GLN 64 1HE2 GLN 64 -1.349 -18.528 10.107 468 2HE2 GLN 64 2HE2 GLN 64 -0.964 -16.875 10.065 469 H GLU 65 H GLU 65 -6.286 -20.455 11.184 470 HA GLU 65 HA GLU 65 -4.574 -22.523 10.230 471 1HB GLU 65 2HB GLU 65 -7.533 -22.354 10.767 472 2HB GLU 65 1HB GLU 65 -6.815 -23.821 10.119 473 1HG GLU 65 2HG GLU 65 -5.282 -23.938 12.042 474 2HG GLU 65 1HG GLU 65 -5.969 -22.447 12.687 475 H PHE 66 H PHE 66 -7.351 -20.895 8.708 476 HA PHE 66 HA PHE 66 -7.269 -22.337 6.250 477 1HB PHE 66 2HB PHE 66 -9.167 -20.904 6.943 478 2HB PHE 66 1HB PHE 66 -8.151 -19.477 6.743 479 HD1 PHE 66 HD1 PHE 66 -9.753 -22.313 4.963 480 HD2 PHE 66 HD2 PHE 66 -7.675 -18.574 4.573 481 HE1 PHE 66 HE1 PHE 66 -10.316 -22.251 2.548 482 HE2 PHE 66 HE2 PHE 66 -8.241 -18.511 2.160 483 HZ PHE 66 HZ PHE 66 -9.562 -20.350 1.146 484 H THR 67 H THR 67 -5.603 -19.405 7.320 485 HA THR 67 HA THR 67 -4.402 -18.788 4.783 486 HB THR 67 HB THR 67 -3.632 -18.114 7.632 487 HG1 THR 67 HG1 THR 67 -4.484 -16.395 5.570 488 1HG2 THR 67 1HG2 THR 67 -1.606 -18.163 6.224 489 2HG2 THR 67 3HG2 THR 67 -2.397 -17.109 5.052 490 3HG2 THR 67 2HG2 THR 67 -2.030 -16.511 6.669 491 H ASP 68 H ASP 68 -3.215 -20.601 7.623 492 HA ASP 68 HA ASP 68 -0.649 -21.232 6.587 493 1HB ASP 68 2HB ASP 68 -2.441 -22.769 8.484 494 2HB ASP 68 1HB ASP 68 -0.761 -23.199 8.159 495 H PHE 69 H PHE 69 -3.788 -22.797 6.109 496 HA PHE 69 HA PHE 69 -2.639 -25.015 4.605 497 1HB PHE 69 2HB PHE 69 -4.623 -25.733 5.508 498 2HB PHE 69 1HB PHE 69 -5.336 -24.123 5.478 499 HD1 PHE 69 HD1 PHE 69 -6.014 -23.160 3.207 500 HD2 PHE 69 HD2 PHE 69 -5.176 -27.317 3.854 501 HE1 PHE 69 HE1 PHE 69 -7.256 -23.732 1.133 502 HE2 PHE 69 HE2 PHE 69 -6.412 -27.893 1.785 503 HZ PHE 69 HZ PHE 69 -7.455 -26.101 0.423 504 H GLY 70 H GLY 70 -4.136 -21.901 3.887 505 1HA GLY 70 1HA GLY 70 -4.221 -20.680 1.884 506 2HA GLY 70 2HA GLY 70 -4.480 -22.231 1.084 507 H ARG 71 H ARG 71 -1.619 -21.616 3.013 508 HA ARG 71 HA ARG 71 0.057 -20.808 0.784 509 1HB ARG 71 2HB ARG 71 0.841 -21.955 3.482 510 2HB ARG 71 1HB ARG 71 1.921 -21.134 2.357 511 1HG ARG 71 2HG ARG 71 0.520 -19.090 2.535 512 2HG ARG 71 1HG ARG 71 -0.507 -19.916 3.707 513 1HD ARG 71 2HD ARG 71 2.461 -19.373 4.028 514 2HD ARG 71 1HD ARG 71 1.162 -18.515 4.856 515 HE ARG 71 HE ARG 71 1.268 -21.445 5.242 516 1HH1 ARG 71 1HH1 ARG 71 0.555 -18.516 6.640 517 2HH1 ARG 71 2HH1 ARG 71 1.282 -18.853 8.175 518 1HH2 ARG 71 1HH2 ARG 71 2.795 -21.786 7.112 519 2HH2 ARG 71 2HH2 ARG 71 2.550 -20.704 8.442 520 H ALA 72 H ALA 72 -0.852 -23.854 2.266 521 HA ALA 72 HA ALA 72 1.191 -25.435 0.946 522 1HB ALA 72 2HB ALA 72 0.423 -26.904 2.470 523 2HB ALA 72 3HB ALA 72 -1.049 -27.067 1.512 524 3HB ALA 72 1HB ALA 72 -0.968 -25.872 2.808 525 H ASN 73 H ASN 73 -1.750 -23.998 -0.072 526 HA ASN 73 HA ASN 73 -1.483 -25.324 -2.700 527 1HB ASN 73 2HB ASN 73 -3.985 -25.756 -2.716 528 2HB ASN 73 1HB ASN 73 -3.063 -26.797 -1.630 529 1HD2 ASN 73 1HD2 ASN 73 -3.392 -26.560 0.648 530 2HD2 ASN 73 2HD2 ASN 73 -4.573 -25.532 1.302 531 H ARG 74 H ARG 74 -0.773 -22.778 -2.346 532 HA ARG 74 HA ARG 74 -2.692 -20.733 -2.336 533 1HB ARG 74 2HB ARG 74 -0.189 -20.880 -4.046 534 2HB ARG 74 1HB ARG 74 -1.079 -19.408 -3.656 535 1HG ARG 74 2HG ARG 74 -0.689 -19.930 -1.212 536 2HG ARG 74 1HG ARG 74 0.384 -21.231 -1.728 537 1HD ARG 74 2HD ARG 74 1.853 -19.418 -1.403 538 2HD ARG 74 1HD ARG 74 1.563 -19.393 -3.143 539 HE ARG 74 HE ARG 74 -0.051 -17.538 -2.741 540 1HH1 ARG 74 1HH1 ARG 74 0.328 -18.426 0.338 541 2HH1 ARG 74 2HH1 ARG 74 1.002 -16.946 0.934 542 1HH2 ARG 74 1HH2 ARG 74 1.586 -15.630 -2.221 543 2HH2 ARG 74 2HH2 ARG 74 1.715 -15.363 -0.515 544 H GLY 75 H GLY 75 -1.572 -22.724 -5.041 545 1HA GLY 75 1HA GLY 75 -2.626 -23.242 -7.061 546 2HA GLY 75 2HA GLY 75 -2.996 -21.519 -7.142 547 H LEU 76 H LEU 76 -4.150 -23.397 -4.453 548 HA LEU 76 HA LEU 76 -6.761 -23.967 -5.651 549 1HB LEU 76 2HB LEU 76 -5.649 -24.238 -2.851 550 2HB LEU 76 1HB LEU 76 -7.329 -24.603 -3.240 551 HG LEU 76 HG LEU 76 -4.895 -25.890 -4.513 552 1HD1 LEU 76 2HD1 LEU 76 -6.136 -26.419 -2.063 553 2HD1 LEU 76 1HD1 LEU 76 -6.815 -27.616 -3.166 554 3HD1 LEU 76 3HD1 LEU 76 -5.069 -27.508 -2.948 555 1HD2 LEU 76 2HD2 LEU 76 -7.794 -25.862 -5.164 556 2HD2 LEU 76 1HD2 LEU 76 -6.406 -26.111 -6.222 557 3HD2 LEU 76 3HD2 LEU 76 -6.999 -27.435 -5.220 558 H LEU 77 H LEU 77 -5.473 -21.690 -3.251 559 HA LEU 77 HA LEU 77 -7.940 -20.427 -2.606 560 1HB LEU 77 2HB LEU 77 -5.065 -19.505 -2.532 561 2HB LEU 77 1HB LEU 77 -6.386 -18.448 -2.035 562 HG LEU 77 HG LEU 77 -5.221 -19.876 -0.210 563 1HD1 LEU 77 3HD1 LEU 77 -7.972 -19.115 -0.649 564 2HD1 LEU 77 2HD1 LEU 77 -7.899 -20.582 0.325 565 3HD1 LEU 77 1HD1 LEU 77 -7.055 -19.129 0.857 566 1HD2 LEU 77 2HD2 LEU 77 -6.982 -21.970 -1.517 567 2HD2 LEU 77 1HD2 LEU 77 -5.220 -22.005 -1.427 568 3HD2 LEU 77 3HD2 LEU 77 -6.182 -22.148 0.044 569 H LYS 78 H LYS 78 -5.567 -19.759 -5.158 570 HA LYS 78 HA LYS 78 -6.831 -17.364 -6.111 571 1HB LYS 78 2HB LYS 78 -5.103 -19.364 -7.599 572 2HB LYS 78 1HB LYS 78 -5.505 -17.744 -8.168 573 1HG LYS 78 2HG LYS 78 -4.410 -16.767 -6.192 574 2HG LYS 78 1HG LYS 78 -4.031 -18.381 -5.592 575 1HD LYS 78 2HD LYS 78 -2.140 -17.214 -6.832 576 2HD LYS 78 1HD LYS 78 -2.562 -18.815 -7.440 577 1HE LYS 78 2HE LYS 78 -3.777 -17.898 -9.283 578 2HE LYS 78 1HE LYS 78 -3.755 -16.281 -8.583 579 1HZ LYS 78 1HZ LYS 78 -1.129 -17.354 -8.883 580 2HZ LYS 78 3HZ LYS 78 -1.951 -17.301 -10.366 581 3HZ LYS 78 2HZ LYS 78 -1.766 -15.883 -9.448 582 H ASP 79 H ASP 79 -7.337 -20.783 -6.794 583 HA ASP 79 HA ASP 79 -9.144 -20.284 -9.026 584 1HB ASP 79 2HB ASP 79 -8.095 -22.628 -7.571 585 2HB ASP 79 1HB ASP 79 -9.734 -22.823 -8.191 586 H VAL 80 H VAL 80 -9.544 -21.252 -5.627 587 HA VAL 80 HA VAL 80 -12.439 -21.216 -5.743 588 HB VAL 80 HB VAL 80 -10.849 -22.406 -4.056 589 1HG1 VAL 80 3HG1 VAL 80 -9.675 -20.313 -3.385 590 2HG1 VAL 80 2HG1 VAL 80 -11.180 -19.733 -2.674 591 3HG1 VAL 80 1HG1 VAL 80 -10.387 -21.163 -2.014 592 1HG2 VAL 80 1HG2 VAL 80 -13.482 -21.089 -3.569 593 2HG2 VAL 80 3HG2 VAL 80 -13.077 -22.806 -3.602 594 3HG2 VAL 80 2HG2 VAL 80 -12.675 -21.830 -2.188 595 H ALA 81 H ALA 81 -9.951 -18.957 -4.692 596 HA ALA 81 HA ALA 81 -11.544 -16.964 -3.518 597 1HB ALA 81 1HB ALA 81 -9.141 -16.796 -3.427 598 2HB ALA 81 3HB ALA 81 -9.032 -16.704 -5.185 599 3HB ALA 81 2HB ALA 81 -9.741 -15.370 -4.273 600 H LYS 82 H LYS 82 -11.002 -17.620 -6.955 601 HA LYS 82 HA LYS 82 -12.356 -15.171 -7.791 602 1HB LYS 82 2HB LYS 82 -11.542 -17.651 -9.332 603 2HB LYS 82 1HB LYS 82 -12.206 -16.192 -10.066 604 1HG LYS 82 2HG LYS 82 -10.312 -14.917 -8.924 605 2HG LYS 82 1HG LYS 82 -9.598 -16.489 -8.562 606 1HD LYS 82 2HD LYS 82 -9.894 -16.960 -11.101 607 2HD LYS 82 1HD LYS 82 -10.080 -15.212 -11.251 608 1HE LYS 82 2HE LYS 82 -7.900 -14.862 -10.190 609 2HE LYS 82 1HE LYS 82 -7.720 -16.598 -9.941 610 1HZ LYS 82 2HZ LYS 82 -8.052 -15.326 -12.602 611 2HZ LYS 82 1HZ LYS 82 -6.548 -15.737 -11.927 612 3HZ LYS 82 3HZ LYS 82 -7.677 -16.952 -12.283 613 H ILE 83 H ILE 83 -13.297 -18.413 -6.986 614 HA ILE 83 HA ILE 83 -15.704 -18.648 -8.458 615 HB ILE 83 HB ILE 83 -15.098 -19.627 -5.654 616 1HG1 ILE 83 2HG1 ILE 83 -14.639 -20.770 -8.415 617 2HG1 ILE 83 1HG1 ILE 83 -13.455 -20.516 -7.135 618 1HG2 ILE 83 1HG2 ILE 83 -17.515 -19.631 -6.223 619 2HG2 ILE 83 3HG2 ILE 83 -17.156 -20.563 -7.677 620 3HG2 ILE 83 2HG2 ILE 83 -16.872 -21.268 -6.086 621 1HD1 ILE 83 1HD1 ILE 83 -14.752 -22.186 -5.738 622 2HD1 ILE 83 3HD1 ILE 83 -15.702 -22.547 -7.179 623 3HD1 ILE 83 2HD1 ILE 83 -13.968 -22.870 -7.162 624 H PHE 84 H PHE 84 -14.998 -16.937 -5.456 625 HA PHE 84 HA PHE 84 -17.835 -16.092 -5.241 626 1HB PHE 84 2HB PHE 84 -15.443 -15.642 -3.431 627 2HB PHE 84 1HB PHE 84 -17.065 -15.034 -3.103 628 HD1 PHE 84 HD1 PHE 84 -14.978 -18.068 -3.431 629 HD2 PHE 84 HD2 PHE 84 -18.859 -16.519 -2.432 630 HE1 PHE 84 HE1 PHE 84 -15.606 -20.263 -2.460 631 HE2 PHE 84 HE2 PHE 84 -19.485 -18.713 -1.462 632 HZ PHE 84 HZ PHE 84 -17.858 -20.586 -1.476 No H/Q in entry = 632 Start of MODEL 25 1 H1 ALA 1 2H ALA 1 5.811 -18.418 -1.893 2 H2 ALA 1 1H ALA 1 6.507 -18.757 -3.405 3 H3 ALA 1 3H ALA 1 7.072 -19.549 -2.017 4 HA ALA 1 HA ALA 1 8.007 -17.568 -1.142 5 1HB ALA 1 3HB ALA 1 9.783 -17.944 -2.471 6 2HB ALA 1 2HB ALA 1 8.736 -18.677 -3.686 7 3HB ALA 1 1HB ALA 1 9.043 -16.941 -3.719 8 H ASP 2 H ASP 2 8.662 -15.221 -1.911 9 HA ASP 2 HA ASP 2 7.897 -13.037 -2.300 10 1HB ASP 2 2HB ASP 2 6.247 -14.487 -4.393 11 2HB ASP 2 1HB ASP 2 6.464 -12.739 -4.310 12 H ASP 3 H ASP 3 6.641 -14.443 -0.183 13 HA ASP 3 HA ASP 3 3.744 -14.027 -0.414 14 1HB ASP 3 2HB ASP 3 4.776 -15.881 0.949 15 2HB ASP 3 1HB ASP 3 5.372 -14.652 2.065 16 H HIS 4 H HIS 4 2.926 -12.000 -0.238 17 HA HIS 4 HA HIS 4 4.320 -10.089 1.598 18 1HB HIS 4 2HB HIS 4 2.529 -8.733 -0.195 19 2HB HIS 4 1HB HIS 4 4.275 -8.561 -0.057 20 HD1 HIS 4 HD1 HIS 4 1.641 -10.537 -1.912 21 HD2 HIS 4 HD2 HIS 4 5.750 -9.855 -2.075 22 HE1 HIS 4 HE1 HIS 4 2.451 -11.557 -4.084 23 HA PRO 5 HA PRO 5 0.600 -9.495 3.933 24 1HB PRO 5 2HB PRO 5 0.182 -6.824 3.966 25 2HB PRO 5 1HB PRO 5 1.483 -7.601 4.872 26 1HG PRO 5 2HG PRO 5 1.586 -6.186 2.234 27 2HG PRO 5 1HG PRO 5 2.710 -6.087 3.593 28 1HD PRO 5 1HD PRO 5 3.232 -7.591 1.410 29 2HD PRO 5 2HD PRO 5 3.780 -8.055 3.021 30 H GLN 6 H GLN 6 0.662 -8.100 0.728 31 HA GLN 6 HA GLN 6 -2.090 -7.361 0.517 32 1HB GLN 6 2HB GLN 6 0.097 -8.036 -1.418 33 2HB GLN 6 1HB GLN 6 -1.560 -7.951 -2.015 34 1HG GLN 6 2HG GLN 6 -1.786 -5.678 -1.417 35 2HG GLN 6 1HG GLN 6 -0.413 -5.742 -0.312 36 1HE2 GLN 6 1HE2 GLN 6 1.779 -6.235 -1.453 37 2HE2 GLN 6 2HE2 GLN 6 2.020 -5.537 -2.982 38 H ASP 7 H ASP 7 -0.391 -10.423 0.048 39 HA ASP 7 HA ASP 7 -2.516 -11.892 -1.139 40 1HB ASP 7 2HB ASP 7 -0.259 -12.761 0.679 41 2HB ASP 7 1HB ASP 7 -1.365 -13.898 -0.093 42 H LYS 8 H LYS 8 -1.627 -11.558 2.296 43 HA LYS 8 HA LYS 8 -3.620 -13.126 3.458 44 1HB LYS 8 2HB LYS 8 -2.232 -10.610 4.304 45 2HB LYS 8 1HB LYS 8 -3.591 -11.191 5.268 46 1HG LYS 8 2HG LYS 8 -2.367 -13.501 5.125 47 2HG LYS 8 1HG LYS 8 -0.952 -12.529 4.722 48 1HD LYS 8 2HD LYS 8 -1.419 -11.159 6.799 49 2HD LYS 8 1HD LYS 8 -2.645 -12.353 7.227 50 1HE LYS 8 2HE LYS 8 -1.041 -13.657 8.115 51 2HE LYS 8 1HE LYS 8 -0.284 -13.782 6.528 52 1HZ LYS 8 1HZ LYS 8 0.363 -11.277 7.466 53 2HZ LYS 8 3HZ LYS 8 0.558 -12.305 8.801 54 3HZ LYS 8 2HZ LYS 8 1.394 -12.623 7.356 55 H ALA 9 H ALA 9 -3.899 -9.878 2.110 56 HA ALA 9 HA ALA 9 -6.501 -9.239 3.025 57 1HB ALA 9 3HB ALA 9 -5.356 -8.586 0.294 58 2HB ALA 9 2HB ALA 9 -6.633 -7.710 1.138 59 3HB ALA 9 1HB ALA 9 -4.983 -7.682 1.762 60 H GLU 10 H GLU 10 -5.455 -11.034 0.151 61 HA GLU 10 HA GLU 10 -8.126 -11.582 -0.791 62 1HB GLU 10 2HB GLU 10 -5.642 -13.245 -1.288 63 2HB GLU 10 1HB GLU 10 -7.083 -13.153 -2.300 64 1HG GLU 10 2HG GLU 10 -6.618 -10.753 -2.717 65 2HG GLU 10 1HG GLU 10 -5.157 -10.876 -1.737 66 H ARG 11 H ARG 11 -5.862 -13.289 1.320 67 HA ARG 11 HA ARG 11 -7.439 -15.678 1.608 68 1HB ARG 11 2HB ARG 11 -5.333 -14.404 3.370 69 2HB ARG 11 1HB ARG 11 -6.053 -15.978 3.704 70 1HG ARG 11 2HG ARG 11 -5.374 -16.518 1.232 71 2HG ARG 11 1HG ARG 11 -4.276 -15.154 1.419 72 1HD ARG 11 2HD ARG 11 -3.646 -16.386 3.676 73 2HD ARG 11 1HD ARG 11 -4.275 -17.798 2.827 74 HE ARG 11 HE ARG 11 -1.943 -16.169 1.932 75 1HH1 ARG 11 1HH1 ARG 11 -3.745 -17.721 -0.084 76 2HH1 ARG 11 2HH1 ARG 11 -2.791 -19.151 -0.297 77 1HH2 ARG 11 1HH2 ARG 11 -0.792 -18.547 2.470 78 2HH2 ARG 11 2HH2 ARG 11 -1.119 -19.618 1.149 79 H GLU 12 H GLU 12 -7.254 -12.653 3.426 80 HA GLU 12 HA GLU 12 -9.050 -13.412 5.523 81 1HB GLU 12 2HB GLU 12 -8.043 -10.814 4.417 82 2HB GLU 12 1HB GLU 12 -9.400 -10.793 5.541 83 1HG GLU 12 2HG GLU 12 -7.949 -12.295 7.048 84 2HG GLU 12 1HG GLU 12 -6.603 -11.833 6.007 85 H ARG 13 H ARG 13 -9.557 -11.859 2.375 86 HA ARG 13 HA ARG 13 -12.384 -11.435 2.744 87 1HB ARG 13 2HB ARG 13 -10.796 -11.748 0.178 88 2HB ARG 13 1HB ARG 13 -12.430 -11.097 0.299 89 1HG ARG 13 2HG ARG 13 -11.683 -9.200 1.543 90 2HG ARG 13 1HG ARG 13 -10.100 -9.919 1.825 91 1HD ARG 13 2HD ARG 13 -9.659 -8.427 0.072 92 2HD ARG 13 1HD ARG 13 -9.932 -9.942 -0.789 93 HE ARG 13 HE ARG 13 -12.428 -8.586 -0.530 94 1HH1 ARG 13 1HH1 ARG 13 -9.632 -8.994 -2.437 95 2HH1 ARG 13 2HH1 ARG 13 -10.110 -7.855 -3.651 96 1HH2 ARG 13 1HH2 ARG 13 -12.947 -6.826 -1.946 97 2HH2 ARG 13 2HH2 ARG 13 -11.987 -6.628 -3.373 98 H ILE 14 H ILE 14 -10.458 -14.062 1.356 99 HA ILE 14 HA ILE 14 -12.741 -15.603 0.475 100 HB ILE 14 HB ILE 14 -9.929 -16.527 1.142 101 1HG1 ILE 14 2HG1 ILE 14 -10.984 -15.952 -1.612 102 2HG1 ILE 14 1HG1 ILE 14 -10.345 -14.641 -0.628 103 1HG2 ILE 14 1HG2 ILE 14 -12.331 -17.896 0.285 104 2HG2 ILE 14 3HG2 ILE 14 -11.081 -18.022 -0.953 105 3HG2 ILE 14 2HG2 ILE 14 -10.753 -18.574 0.690 106 1HD1 ILE 14 2HD1 ILE 14 -8.820 -17.206 -1.146 107 2HD1 ILE 14 1HD1 ILE 14 -8.650 -15.768 -2.153 108 3HD1 ILE 14 3HD1 ILE 14 -8.200 -15.709 -0.449 109 H PHE 15 H PHE 15 -10.648 -15.698 3.371 110 HA PHE 15 HA PHE 15 -12.013 -17.902 4.602 111 1HB PHE 15 2HB PHE 15 -9.786 -17.144 5.357 112 2HB PHE 15 1HB PHE 15 -10.488 -15.622 5.912 113 HD1 PHE 15 HD1 PHE 15 -10.248 -19.253 6.505 114 HD2 PHE 15 HD2 PHE 15 -11.943 -15.558 7.891 115 HE1 PHE 15 HE1 PHE 15 -10.881 -20.345 8.639 116 HE2 PHE 15 HE2 PHE 15 -12.578 -16.652 10.025 117 HZ PHE 15 HZ PHE 15 -12.049 -19.049 10.399 118 H LYS 16 H LYS 16 -12.544 -14.413 4.611 119 HA LYS 16 HA LYS 16 -14.559 -14.404 6.667 120 1HB LYS 16 2HB LYS 16 -13.801 -12.525 4.440 121 2HB LYS 16 1HB LYS 16 -15.272 -12.242 5.370 122 1HG LYS 16 2HG LYS 16 -13.938 -12.296 7.463 123 2HG LYS 16 1HG LYS 16 -12.473 -12.529 6.509 124 1HD LYS 16 2HD LYS 16 -13.057 -10.373 5.296 125 2HD LYS 16 1HD LYS 16 -14.311 -10.121 6.510 126 1HE LYS 16 2HE LYS 16 -11.607 -10.787 7.546 127 2HE LYS 16 1HE LYS 16 -11.779 -9.201 6.794 128 1HZ LYS 16 1HZ LYS 16 -14.016 -9.561 8.378 129 2HZ LYS 16 3HZ LYS 16 -12.704 -10.083 9.318 130 3HZ LYS 16 2HZ LYS 16 -12.709 -8.514 8.666 131 H ARG 17 H ARG 17 -14.588 -15.112 3.234 132 HA ARG 17 HA ARG 17 -17.456 -14.965 2.900 133 1HB ARG 17 2HB ARG 17 -15.231 -16.296 1.348 134 2HB ARG 17 1HB ARG 17 -16.923 -16.487 0.884 135 1HG ARG 17 2HG ARG 17 -17.018 -13.891 1.017 136 2HG ARG 17 1HG ARG 17 -15.259 -13.975 0.944 137 1HD ARG 17 2HD ARG 17 -15.570 -15.471 -1.117 138 2HD ARG 17 1HD ARG 17 -17.255 -14.950 -1.105 139 HE ARG 17 HE ARG 17 -16.402 -12.608 -1.387 140 1HH1 ARG 17 1HH1 ARG 17 -13.569 -14.064 -0.848 141 2HH1 ARG 17 2HH1 ARG 17 -12.833 -13.729 -2.380 142 1HH2 ARG 17 1HH2 ARG 17 -15.788 -12.695 -3.872 143 2HH2 ARG 17 2HH2 ARG 17 -14.090 -12.953 -4.092 144 H PHE 18 H PHE 18 -15.185 -17.508 3.825 145 HA PHE 18 HA PHE 18 -17.134 -19.641 3.790 146 1HB PHE 18 2HB PHE 18 -14.424 -19.308 5.076 147 2HB PHE 18 1HB PHE 18 -15.400 -20.752 5.343 148 HD1 PHE 18 HD1 PHE 18 -16.170 -22.103 3.332 149 HD2 PHE 18 HD2 PHE 18 -13.205 -19.006 3.060 150 HE1 PHE 18 HE1 PHE 18 -15.413 -23.017 1.154 151 HE2 PHE 18 HE2 PHE 18 -12.450 -19.920 0.882 152 HZ PHE 18 HZ PHE 18 -13.554 -21.926 -0.071 153 H ASP 19 H ASP 19 -15.726 -17.713 6.447 154 HA ASP 19 HA ASP 19 -17.272 -18.814 8.546 155 1HB ASP 19 2HB ASP 19 -15.336 -17.036 8.586 156 2HB ASP 19 1HB ASP 19 -16.654 -15.868 8.474 157 H ALA 20 H ALA 20 -19.465 -19.101 8.200 158 HA ALA 20 HA ALA 20 -21.103 -17.272 6.722 159 1HB ALA 20 1HB ALA 20 -21.695 -19.635 6.995 160 2HB ALA 20 3HB ALA 20 -21.883 -19.400 8.733 161 3HB ALA 20 2HB ALA 20 -22.988 -18.606 7.611 162 H ASN 21 H ASN 21 -20.901 -17.839 10.280 163 HA ASN 21 HA ASN 21 -22.586 -15.456 10.679 164 1HB ASN 21 2HB ASN 21 -22.548 -16.021 13.038 165 2HB ASN 21 1HB ASN 21 -22.878 -17.478 12.109 166 1HD2 ASN 21 1HD2 ASN 21 -21.706 -17.290 14.805 167 2HD2 ASN 21 2HD2 ASN 21 -20.185 -18.031 14.720 168 H GLY 22 H GLY 22 -19.217 -16.343 10.842 169 1HA GLY 22 1HA GLY 22 -18.555 -13.480 11.157 170 2HA GLY 22 2HA GLY 22 -17.424 -14.753 10.709 171 H ASP 23 H ASP 23 -18.071 -16.535 12.886 172 HA ASP 23 HA ASP 23 -17.461 -14.947 15.310 173 1HB ASP 23 2HB ASP 23 -17.713 -17.082 16.531 174 2HB ASP 23 1HB ASP 23 -19.127 -16.735 15.540 175 H GLY 24 H GLY 24 -15.678 -15.985 12.829 176 1HA GLY 24 1HA GLY 24 -13.259 -16.193 14.517 177 2HA GLY 24 2HA GLY 24 -13.280 -15.890 12.782 178 H LYS 25 H LYS 25 -15.395 -18.415 13.485 179 HA LYS 25 HA LYS 25 -13.288 -20.388 12.736 180 1HB LYS 25 2HB LYS 25 -14.211 -22.011 14.267 181 2HB LYS 25 1HB LYS 25 -13.937 -20.526 15.176 182 1HG LYS 25 2HG LYS 25 -16.253 -19.953 15.113 183 2HG LYS 25 1HG LYS 25 -16.598 -21.186 13.900 184 1HD LYS 25 2HD LYS 25 -15.667 -22.841 15.712 185 2HD LYS 25 1HD LYS 25 -16.015 -21.525 16.832 186 1HE LYS 25 2HE LYS 25 -18.337 -21.511 15.511 187 2HE LYS 25 1HE LYS 25 -17.898 -23.194 15.220 188 1HZ LYS 25 2HZ LYS 25 -17.500 -23.364 17.667 189 2HZ LYS 25 1HZ LYS 25 -18.213 -21.832 17.834 190 3HZ LYS 25 3HZ LYS 25 -19.123 -23.127 17.225 191 H ILE 26 H ILE 26 -13.914 -21.937 11.256 192 HA ILE 26 HA ILE 26 -16.657 -21.614 10.103 193 HB ILE 26 HB ILE 26 -14.311 -22.824 8.650 194 1HG1 ILE 26 2HG1 ILE 26 -15.050 -19.890 8.856 195 2HG1 ILE 26 1HG1 ILE 26 -13.546 -20.632 9.402 196 1HG2 ILE 26 2HG2 ILE 26 -16.666 -23.041 7.787 197 2HG2 ILE 26 1HG2 ILE 26 -16.733 -21.282 7.677 198 3HG2 ILE 26 3HG2 ILE 26 -15.584 -22.185 6.689 199 1HD1 ILE 26 3HD1 ILE 26 -14.145 -21.274 6.618 200 2HD1 ILE 26 2HD1 ILE 26 -14.004 -19.537 6.883 201 3HD1 ILE 26 1HD1 ILE 26 -12.671 -20.607 7.318 202 H SER 27 H SER 27 -17.950 -23.397 10.065 203 HA SER 27 HA SER 27 -16.772 -25.960 11.038 204 1HB SER 27 2HB SER 27 -18.864 -26.486 11.964 205 2HB SER 27 1HB SER 27 -18.772 -24.742 12.215 206 HG SER 27 HG SER 27 -20.338 -24.464 10.853 207 H ALA 28 H ALA 28 -17.886 -27.950 10.040 208 HA ALA 28 HA ALA 28 -17.486 -28.049 7.274 209 1HB ALA 28 1HB ALA 28 -19.663 -29.724 8.481 210 2HB ALA 28 3HB ALA 28 -18.407 -30.190 7.334 211 3HB ALA 28 2HB ALA 28 -18.004 -29.953 9.034 212 H ALA 29 H ALA 29 -20.526 -27.448 9.026 213 HA ALA 29 HA ALA 29 -22.213 -27.219 6.768 214 1HB ALA 29 2HB ALA 29 -22.561 -26.953 9.473 215 2HB ALA 29 3HB ALA 29 -23.785 -26.542 8.271 216 3HB ALA 29 1HB ALA 29 -22.740 -25.284 8.932 217 H GLU 30 H GLU 30 -20.151 -24.796 8.346 218 HA GLU 30 HA GLU 30 -20.971 -22.674 6.542 219 1HB GLU 30 2HB GLU 30 -18.568 -22.923 8.372 220 2HB GLU 30 1HB GLU 30 -19.021 -21.452 7.511 221 1HG GLU 30 2HG GLU 30 -21.221 -21.476 8.660 222 2HG GLU 30 1HG GLU 30 -20.728 -22.917 9.548 223 H LEU 31 H LEU 31 -17.940 -24.554 6.863 224 HA LEU 31 HA LEU 31 -16.718 -23.587 4.498 225 1HB LEU 31 2HB LEU 31 -15.753 -25.061 6.403 226 2HB LEU 31 1HB LEU 31 -16.422 -26.420 5.506 227 HG LEU 31 HG LEU 31 -14.647 -24.382 4.160 228 1HD1 LEU 31 2HD1 LEU 31 -13.715 -25.689 6.309 229 2HD1 LEU 31 1HD1 LEU 31 -13.511 -26.974 5.116 230 3HD1 LEU 31 3HD1 LEU 31 -12.715 -25.416 4.881 231 1HD2 LEU 31 3HD2 LEU 31 -16.105 -26.641 3.306 232 2HD2 LEU 31 2HD2 LEU 31 -14.906 -25.738 2.381 233 3HD2 LEU 31 1HD2 LEU 31 -14.415 -27.143 3.328 234 H GLY 32 H GLY 32 -18.724 -26.480 5.029 235 1HA GLY 32 1HA GLY 32 -19.987 -27.749 3.524 236 2HA GLY 32 2HA GLY 32 -18.738 -27.385 2.336 237 H GLU 33 H GLU 33 -20.911 -25.161 4.056 238 HA GLU 33 HA GLU 33 -22.775 -24.739 1.977 239 1HB GLU 33 2HB GLU 33 -21.855 -23.194 4.348 240 2HB GLU 33 1HB GLU 33 -22.749 -22.307 3.116 241 1HG GLU 33 2HG GLU 33 -24.475 -24.203 3.227 242 2HG GLU 33 1HG GLU 33 -23.653 -24.719 4.699 243 H ALA 34 H ALA 34 -19.671 -23.109 2.601 244 HA ALA 34 HA ALA 34 -19.953 -21.327 0.332 245 1HB ALA 34 3HB ALA 34 -18.364 -20.435 1.728 246 2HB ALA 34 2HB ALA 34 -17.830 -22.018 2.295 247 3HB ALA 34 1HB ALA 34 -17.275 -21.405 0.736 248 H LEU 35 H LEU 35 -18.405 -24.447 0.915 249 HA LEU 35 HA LEU 35 -17.075 -24.713 -1.574 250 1HB LEU 35 2HB LEU 35 -18.151 -26.652 0.451 251 2HB LEU 35 1HB LEU 35 -17.530 -27.252 -1.084 252 HG LEU 35 HG LEU 35 -16.032 -25.541 0.921 253 1HD1 LEU 35 3HD1 LEU 35 -15.924 -28.438 0.089 254 2HD1 LEU 35 2HD1 LEU 35 -14.508 -27.643 0.777 255 3HD1 LEU 35 1HD1 LEU 35 -15.995 -27.761 1.716 256 1HD2 LEU 35 3HD2 LEU 35 -15.389 -26.436 -1.887 257 2HD2 LEU 35 2HD2 LEU 35 -15.244 -24.824 -1.186 258 3HD2 LEU 35 1HD2 LEU 35 -14.107 -26.091 -0.726 259 H LYS 36 H LYS 36 -20.459 -25.278 -0.680 260 HA LYS 36 HA LYS 36 -21.405 -26.803 -2.776 261 1HB LYS 36 2HB LYS 36 -22.511 -24.826 -0.991 262 2HB LYS 36 1HB LYS 36 -23.215 -24.633 -2.596 263 1HG LYS 36 2HG LYS 36 -23.855 -26.981 -2.650 264 2HG LYS 36 1HG LYS 36 -23.027 -27.276 -1.121 265 1HD LYS 36 2HD LYS 36 -24.804 -25.084 -0.720 266 2HD LYS 36 1HD LYS 36 -25.710 -26.357 -1.539 267 1HE LYS 36 2HE LYS 36 -24.046 -26.722 0.972 268 2HE LYS 36 1HE LYS 36 -25.806 -26.634 0.916 269 1HZ LYS 36 1HZ LYS 36 -25.703 -28.560 -0.656 270 2HZ LYS 36 3HZ LYS 36 -24.057 -28.710 -0.274 271 3HZ LYS 36 2HZ LYS 36 -25.231 -28.908 0.939 272 H THR 37 H THR 37 -20.106 -23.563 -2.959 273 HA THR 37 HA THR 37 -21.162 -22.649 -5.388 274 HB THR 37 HB THR 37 -19.511 -21.471 -3.820 275 HG1 THR 37 HG1 THR 37 -19.684 -20.214 -5.483 276 1HG2 THR 37 2HG2 THR 37 -17.578 -23.104 -5.487 277 2HG2 THR 37 1HG2 THR 37 -17.114 -21.737 -4.474 278 3HG2 THR 37 3HG2 THR 37 -17.791 -23.190 -3.739 279 H LEU 38 H LEU 38 -18.948 -25.258 -4.783 280 HA LEU 38 HA LEU 38 -17.764 -25.475 -7.374 281 1HB LEU 38 2HB LEU 38 -18.371 -27.513 -5.224 282 2HB LEU 38 1HB LEU 38 -17.564 -27.952 -6.730 283 HG LEU 38 HG LEU 38 -16.360 -25.575 -5.593 284 1HD1 LEU 38 1HD1 LEU 38 -17.123 -27.685 -3.724 285 2HD1 LEU 38 3HD1 LEU 38 -15.377 -27.438 -3.767 286 3HD1 LEU 38 2HD1 LEU 38 -16.450 -26.088 -3.394 287 1HD2 LEU 38 2HD2 LEU 38 -15.609 -27.665 -7.173 288 2HD2 LEU 38 1HD2 LEU 38 -14.467 -26.600 -6.353 289 3HD2 LEU 38 3HD2 LEU 38 -14.899 -28.151 -5.633 290 H GLY 39 H GLY 39 -20.870 -26.521 -6.092 291 1HA GLY 39 1HA GLY 39 -21.984 -26.745 -8.754 292 2HA GLY 39 2HA GLY 39 -22.814 -27.156 -7.255 293 H SER 40 H SER 40 -19.984 -28.812 -7.079 294 HA SER 40 HA SER 40 -21.300 -31.312 -7.895 295 1HB SER 40 2HB SER 40 -19.337 -29.967 -9.569 296 2HB SER 40 1HB SER 40 -18.793 -31.577 -9.098 297 HG SER 40 HG SER 40 -20.650 -30.900 -10.886 298 H ILE 41 H ILE 41 -20.744 -30.798 -5.339 299 HA ILE 41 HA ILE 41 -18.378 -32.526 -4.812 300 HB ILE 41 HB ILE 41 -17.885 -30.010 -4.475 301 1HG1 ILE 41 2HG1 ILE 41 -17.520 -31.520 -1.913 302 2HG1 ILE 41 1HG1 ILE 41 -16.789 -32.166 -3.382 303 1HG2 ILE 41 2HG2 ILE 41 -20.235 -29.930 -3.181 304 2HG2 ILE 41 1HG2 ILE 41 -19.193 -30.313 -1.809 305 3HG2 ILE 41 3HG2 ILE 41 -18.903 -28.853 -2.759 306 1HD1 ILE 41 3HD1 ILE 41 -16.306 -29.335 -3.271 307 2HD1 ILE 41 2HD1 ILE 41 -15.819 -30.059 -1.737 308 3HD1 ILE 41 1HD1 ILE 41 -15.130 -30.651 -3.248 309 H THR 42 H THR 42 -18.459 -33.347 -2.486 310 HA THR 42 HA THR 42 -21.312 -33.705 -1.653 311 HB THR 42 HB THR 42 -20.998 -35.949 -1.527 312 HG1 THR 42 HG1 THR 42 -19.192 -36.814 -0.443 313 1HG2 THR 42 3HG2 THR 42 -19.826 -35.465 -3.669 314 2HG2 THR 42 2HG2 THR 42 -18.303 -35.368 -2.784 315 3HG2 THR 42 1HG2 THR 42 -19.182 -36.896 -2.862 316 HA PRO 43 HA PRO 43 -20.221 -32.205 2.368 317 1HB PRO 43 2HB PRO 43 -21.460 -33.932 4.042 318 2HB PRO 43 1HB PRO 43 -22.336 -32.728 3.094 319 1HG PRO 43 2HG PRO 43 -21.931 -35.646 2.547 320 2HG PRO 43 1HG PRO 43 -23.400 -34.679 2.383 321 1HD PRO 43 1HD PRO 43 -21.867 -35.325 0.253 322 2HD PRO 43 2HD PRO 43 -22.744 -33.796 0.345 323 H ASP 44 H ASP 44 -19.761 -35.655 1.782 324 HA ASP 44 HA ASP 44 -18.036 -36.180 3.995 325 1HB ASP 44 2HB ASP 44 -18.206 -37.505 1.274 326 2HB ASP 44 1HB ASP 44 -17.296 -38.148 2.642 327 H GLU 45 H GLU 45 -17.441 -34.625 0.894 328 HA GLU 45 HA GLU 45 -14.535 -34.923 1.133 329 1HB GLU 45 2HB GLU 45 -16.286 -33.262 -0.705 330 2HB GLU 45 1HB GLU 45 -14.528 -33.316 -0.809 331 1HG GLU 45 2HG GLU 45 -14.688 -35.811 -1.078 332 2HG GLU 45 1HG GLU 45 -16.441 -35.643 -1.152 333 H VAL 46 H VAL 46 -16.993 -32.434 1.623 334 HA VAL 46 HA VAL 46 -15.212 -30.317 2.331 335 HB VAL 46 HB VAL 46 -18.077 -30.873 3.142 336 1HG1 VAL 46 1HG1 VAL 46 -16.253 -29.068 4.324 337 2HG1 VAL 46 3HG1 VAL 46 -17.278 -28.096 3.267 338 3HG1 VAL 46 2HG1 VAL 46 -18.006 -29.095 4.526 339 1HG2 VAL 46 3HG2 VAL 46 -16.856 -29.998 0.734 340 2HG2 VAL 46 2HG2 VAL 46 -18.579 -30.049 1.109 341 3HG2 VAL 46 1HG2 VAL 46 -17.646 -28.591 1.444 342 H LYS 47 H LYS 47 -16.657 -32.946 4.175 343 HA LYS 47 HA LYS 47 -15.799 -32.005 6.766 344 1HB LYS 47 2HB LYS 47 -16.519 -34.765 5.744 345 2HB LYS 47 1HB LYS 47 -16.137 -34.428 7.432 346 1HG LYS 47 2HG LYS 47 -17.968 -32.759 7.499 347 2HG LYS 47 1HG LYS 47 -18.362 -33.137 5.822 348 1HD LYS 47 2HD LYS 47 -18.631 -35.566 6.587 349 2HD LYS 47 1HD LYS 47 -18.583 -34.945 8.237 350 1HE LYS 47 2HE LYS 47 -20.656 -33.995 8.078 351 2HE LYS 47 1HE LYS 47 -20.421 -33.529 6.393 352 1HZ LYS 47 2HZ LYS 47 -20.612 -35.969 5.872 353 2HZ LYS 47 1HZ LYS 47 -21.174 -36.184 7.461 354 3HZ LYS 47 3HZ LYS 47 -22.042 -35.206 6.381 355 H HIS 48 H HIS 48 -14.373 -34.086 4.295 356 HA HIS 48 HA HIS 48 -12.081 -34.885 5.837 357 1HB HIS 48 2HB HIS 48 -12.768 -36.061 3.778 358 2HB HIS 48 1HB HIS 48 -12.393 -34.621 2.831 359 HD1 HIS 48 HD1 HIS 48 -10.316 -35.275 1.572 360 HD2 HIS 48 HD2 HIS 48 -10.064 -36.257 5.616 361 HE1 HIS 48 HE1 HIS 48 -7.954 -36.099 1.964 362 H MET 49 H MET 49 -12.765 -32.098 3.748 363 HA MET 49 HA MET 49 -10.111 -31.074 3.615 364 1HB MET 49 2HB MET 49 -12.856 -29.891 3.375 365 2HB MET 49 1HB MET 49 -11.469 -28.811 3.498 366 1HG MET 49 2HG MET 49 -10.484 -30.460 1.646 367 2HG MET 49 1HG MET 49 -12.197 -30.729 1.323 368 1HE MET 49 3HE MET 49 -12.017 -30.177 -0.777 369 2HE MET 49 2HE MET 49 -13.318 -28.992 -0.693 370 3HE MET 49 1HE MET 49 -11.825 -28.592 -1.538 371 H MET 50 H MET 50 -12.746 -30.473 5.922 372 HA MET 50 HA MET 50 -11.310 -28.667 7.594 373 1HB MET 50 2HB MET 50 -13.628 -30.541 8.070 374 2HB MET 50 1HB MET 50 -12.973 -29.536 9.359 375 1HG MET 50 2HG MET 50 -13.245 -27.567 7.714 376 2HG MET 50 1HG MET 50 -14.266 -28.659 6.778 377 1HE MET 50 1HE MET 50 -13.311 -27.269 9.976 378 2HE MET 50 3HE MET 50 -14.786 -26.757 10.805 379 3HE MET 50 2HE MET 50 -14.196 -28.405 10.992 380 H ALA 51 H ALA 51 -11.782 -32.187 7.824 381 HA ALA 51 HA ALA 51 -10.244 -32.644 10.149 382 1HB ALA 51 3HB ALA 51 -11.186 -34.634 9.553 383 2HB ALA 51 1HB ALA 51 -9.691 -34.862 8.647 384 3HB ALA 51 2HB ALA 51 -11.132 -34.253 7.833 385 H GLU 52 H GLU 52 -9.261 -31.727 6.960 386 HA GLU 52 HA GLU 52 -6.427 -32.432 7.537 387 1HB GLU 52 2HB GLU 52 -7.921 -31.598 5.056 388 2HB GLU 52 1HB GLU 52 -6.163 -31.496 5.124 389 1HG GLU 52 2HG GLU 52 -7.549 -34.033 5.953 390 2HG GLU 52 1HG GLU 52 -7.286 -33.697 4.242 391 H ILE 53 H ILE 53 -8.553 -29.684 6.960 392 HA ILE 53 HA ILE 53 -6.381 -27.731 7.133 393 HB ILE 53 HB ILE 53 -9.392 -27.407 7.191 394 1HG1 ILE 53 2HG1 ILE 53 -7.393 -27.006 4.954 395 2HG1 ILE 53 1HG1 ILE 53 -8.455 -28.402 5.109 396 1HG2 ILE 53 3HG2 ILE 53 -7.917 -25.560 8.202 397 2HG2 ILE 53 2HG2 ILE 53 -7.328 -25.299 6.560 398 3HG2 ILE 53 1HG2 ILE 53 -9.038 -25.079 6.929 399 1HD1 ILE 53 1HD1 ILE 53 -9.621 -25.634 5.149 400 2HD1 ILE 53 3HD1 ILE 53 -9.205 -26.387 3.609 401 3HD1 ILE 53 2HD1 ILE 53 -10.380 -27.154 4.679 402 H ASP 54 H ASP 54 -8.765 -29.147 9.290 403 HA ASP 54 HA ASP 54 -8.613 -27.287 11.429 404 1HB ASP 54 2HB ASP 54 -10.150 -29.384 10.969 405 2HB ASP 54 1HB ASP 54 -8.916 -30.236 11.886 406 H THR 55 H THR 55 -6.542 -26.678 12.055 407 HA THR 55 HA THR 55 -4.344 -28.552 12.233 408 HB THR 55 HB THR 55 -3.128 -26.672 13.280 409 HG1 THR 55 HG1 THR 55 -4.522 -25.581 14.474 410 1HG2 THR 55 3HG2 THR 55 -4.849 -25.894 10.910 411 2HG2 THR 55 2HG2 THR 55 -3.359 -25.085 11.392 412 3HG2 THR 55 1HG2 THR 55 -3.314 -26.758 10.835 413 H ASP 56 H ASP 56 -6.340 -26.933 14.720 414 HA ASP 56 HA ASP 56 -5.036 -28.545 16.808 415 1HB ASP 56 2HB ASP 56 -6.303 -27.271 18.389 416 2HB ASP 56 1HB ASP 56 -5.773 -26.139 17.146 417 H GLY 57 H GLY 57 -8.024 -28.577 14.973 418 1HA GLY 57 1HA GLY 57 -8.569 -31.262 16.084 419 2HA GLY 57 2HA GLY 57 -9.326 -30.570 14.654 420 H ASP 58 H ASP 58 -9.940 -28.022 16.194 421 HA ASP 58 HA ASP 58 -11.777 -28.933 18.296 422 1HB ASP 58 2HB ASP 58 -12.271 -26.617 18.660 423 2HB ASP 58 1HB ASP 58 -10.539 -26.712 18.347 424 H GLY 59 H GLY 59 -11.918 -28.956 14.980 425 1HA GLY 59 1HA GLY 59 -14.885 -29.059 15.075 426 2HA GLY 59 2HA GLY 59 -13.877 -29.769 13.816 427 H PHE 60 H PHE 60 -12.715 -26.699 14.504 428 HA PHE 60 HA PHE 60 -14.203 -25.613 12.156 429 1HB PHE 60 2HB PHE 60 -13.510 -23.970 14.597 430 2HB PHE 60 1HB PHE 60 -14.493 -23.484 13.216 431 HD1 PHE 60 HD1 PHE 60 -16.706 -24.586 12.811 432 HD2 PHE 60 HD2 PHE 60 -14.439 -25.228 16.400 433 HE1 PHE 60 HE1 PHE 60 -18.732 -25.465 13.933 434 HE2 PHE 60 HE2 PHE 60 -16.466 -26.102 17.524 435 HZ PHE 60 HZ PHE 60 -18.616 -26.225 16.291 436 H ILE 61 H ILE 61 -13.076 -23.998 10.937 437 HA ILE 61 HA ILE 61 -10.133 -24.106 11.312 438 HB ILE 61 HB ILE 61 -11.675 -23.223 8.862 439 1HG1 ILE 61 2HG1 ILE 61 -12.254 -25.549 9.345 440 2HG1 ILE 61 1HG1 ILE 61 -11.155 -25.492 7.967 441 1HG2 ILE 61 1HG2 ILE 61 -9.257 -22.526 9.179 442 2HG2 ILE 61 3HG2 ILE 61 -8.835 -24.238 9.140 443 3HG2 ILE 61 2HG2 ILE 61 -9.568 -23.479 7.728 444 1HD1 ILE 61 2HD1 ILE 61 -9.250 -25.922 9.553 445 2HD1 ILE 61 1HD1 ILE 61 -10.434 -26.145 10.841 446 3HD1 ILE 61 3HD1 ILE 61 -10.409 -27.252 9.466 447 H SER 62 H SER 62 -9.136 -22.226 11.930 448 HA SER 62 HA SER 62 -10.783 -19.771 12.104 449 1HB SER 62 2HB SER 62 -7.985 -20.265 13.165 450 2HB SER 62 1HB SER 62 -9.056 -18.930 13.587 451 HG SER 62 HG SER 62 -9.990 -21.535 13.931 452 H PHE 63 H PHE 63 -9.585 -17.691 11.484 453 HA PHE 63 HA PHE 63 -8.861 -17.755 8.755 454 1HB PHE 63 2HB PHE 63 -9.497 -15.668 9.920 455 2HB PHE 63 1HB PHE 63 -7.993 -15.728 10.842 456 HD1 PHE 63 HD1 PHE 63 -8.918 -16.279 7.249 457 HD2 PHE 63 HD2 PHE 63 -6.414 -14.204 10.053 458 HE1 PHE 63 HE1 PHE 63 -7.727 -15.182 5.373 459 HE2 PHE 63 HE2 PHE 63 -5.221 -13.109 8.177 460 HZ PHE 63 HZ PHE 63 -5.881 -13.597 5.835 461 H GLN 64 H GLN 64 -6.833 -17.824 11.659 462 HA GLN 64 HA GLN 64 -4.306 -17.789 10.352 463 1HB GLN 64 2HB GLN 64 -4.723 -17.526 12.826 464 2HB GLN 64 1HB GLN 64 -5.018 -19.262 12.905 465 1HG GLN 64 2HG GLN 64 -2.710 -18.933 13.489 466 2HG GLN 64 1HG GLN 64 -2.728 -19.589 11.852 467 1HE2 GLN 64 1HE2 GLN 64 -1.289 -18.494 10.518 468 2HE2 GLN 64 2HE2 GLN 64 -0.924 -16.839 10.620 469 H GLU 65 H GLU 65 -6.340 -20.538 11.404 470 HA GLU 65 HA GLU 65 -4.641 -22.612 10.455 471 1HB GLU 65 2HB GLU 65 -7.561 -22.363 11.047 472 2HB GLU 65 1HB GLU 65 -7.008 -23.786 10.173 473 1HG GLU 65 2HG GLU 65 -5.415 -24.298 11.967 474 2HG GLU 65 1HG GLU 65 -5.895 -22.837 12.831 475 H PHE 66 H PHE 66 -7.344 -20.925 8.871 476 HA PHE 66 HA PHE 66 -7.195 -22.341 6.397 477 1HB PHE 66 2HB PHE 66 -9.097 -20.875 7.101 478 2HB PHE 66 1HB PHE 66 -8.064 -19.470 6.839 479 HD1 PHE 66 HD1 PHE 66 -7.382 -18.801 4.592 480 HD2 PHE 66 HD2 PHE 66 -9.904 -22.220 5.224 481 HE1 PHE 66 HE1 PHE 66 -7.948 -18.831 2.177 482 HE2 PHE 66 HE2 PHE 66 -10.468 -22.252 2.808 483 HZ PHE 66 HZ PHE 66 -9.490 -20.557 1.285 484 H THR 67 H THR 67 -5.552 -19.435 7.565 485 HA THR 67 HA THR 67 -4.277 -18.773 5.079 486 HB THR 67 HB THR 67 -3.570 -18.170 7.962 487 HG1 THR 67 HG1 THR 67 -4.864 -16.860 5.838 488 1HG2 THR 67 3HG2 THR 67 -1.517 -18.194 6.591 489 2HG2 THR 67 2HG2 THR 67 -2.281 -17.109 5.430 490 3HG2 THR 67 1HG2 THR 67 -1.943 -16.550 7.069 491 H ASP 68 H ASP 68 -3.153 -20.634 7.918 492 HA ASP 68 HA ASP 68 -0.576 -21.272 6.903 493 1HB ASP 68 2HB ASP 68 -2.389 -22.850 8.752 494 2HB ASP 68 1HB ASP 68 -0.690 -23.227 8.468 495 H PHE 69 H PHE 69 -3.723 -22.804 6.395 496 HA PHE 69 HA PHE 69 -2.616 -25.033 4.893 497 1HB PHE 69 2HB PHE 69 -4.644 -25.683 5.750 498 2HB PHE 69 1HB PHE 69 -5.298 -24.049 5.712 499 HD1 PHE 69 HD1 PHE 69 -5.885 -23.054 3.426 500 HD2 PHE 69 HD2 PHE 69 -5.226 -27.240 4.087 501 HE1 PHE 69 HE1 PHE 69 -7.106 -23.577 1.327 502 HE2 PHE 69 HE2 PHE 69 -6.442 -27.769 1.997 503 HZ PHE 69 HZ PHE 69 -7.385 -25.938 0.612 504 H GLY 70 H GLY 70 -4.033 -21.882 4.147 505 1HA GLY 70 1HA GLY 70 -4.014 -20.644 2.152 506 2HA GLY 70 2HA GLY 70 -4.297 -22.183 1.337 507 H ARG 71 H ARG 71 -1.485 -21.584 3.354 508 HA ARG 71 HA ARG 71 0.308 -20.820 1.228 509 1HB ARG 71 2HB ARG 71 0.978 -22.192 3.850 510 2HB ARG 71 1HB ARG 71 2.091 -21.285 2.829 511 1HG ARG 71 2HG ARG 71 0.956 -19.228 3.263 512 2HG ARG 71 1HG ARG 71 -0.411 -20.057 3.997 513 1HD ARG 71 2HD ARG 71 0.870 -19.227 5.826 514 2HD ARG 71 1HD ARG 71 1.253 -20.947 5.731 515 HE ARG 71 HE ARG 71 3.099 -19.412 4.146 516 1HH1 ARG 71 1HH1 ARG 71 2.184 -19.404 7.419 517 2HH1 ARG 71 2HH1 ARG 71 3.793 -19.601 8.031 518 1HH2 ARG 71 1HH2 ARG 71 5.216 -20.039 4.900 519 2HH2 ARG 71 2HH2 ARG 71 5.509 -19.960 6.606 520 H ALA 72 H ALA 72 -0.802 -23.882 2.520 521 HA ALA 72 HA ALA 72 1.177 -25.541 1.237 522 1HB ALA 72 3HB ALA 72 0.133 -27.063 2.525 523 2HB ALA 72 1HB ALA 72 -1.282 -26.957 1.477 524 3HB ALA 72 2HB ALA 72 -1.146 -25.901 2.883 525 H ASN 73 H ASN 73 -1.665 -23.903 0.127 526 HA ASN 73 HA ASN 73 -1.159 -24.904 -2.603 527 1HB ASN 73 2HB ASN 73 -3.670 -25.320 -2.867 528 2HB ASN 73 1HB ASN 73 -2.787 -26.518 -1.920 529 1HD2 ASN 73 1HD2 ASN 73 -3.377 -26.784 0.273 530 2HD2 ASN 73 2HD2 ASN 73 -4.558 -25.846 1.051 531 H ARG 74 H ARG 74 -0.506 -22.435 -2.000 532 HA ARG 74 HA ARG 74 -2.423 -20.398 -1.829 533 1HB ARG 74 2HB ARG 74 -0.780 -18.954 -2.990 534 2HB ARG 74 1HB ARG 74 0.006 -19.961 -1.773 535 1HG ARG 74 2HG ARG 74 0.489 -21.625 -3.640 536 2HG ARG 74 1HG ARG 74 -0.040 -20.380 -4.771 537 1HD ARG 74 2HD ARG 74 2.277 -20.236 -2.827 538 2HD ARG 74 1HD ARG 74 2.351 -20.185 -4.589 539 HE ARG 74 HE ARG 74 0.966 -17.985 -4.276 540 1HH1 ARG 74 1HH1 ARG 74 3.762 -19.106 -2.669 541 2HH1 ARG 74 2HH1 ARG 74 4.015 -17.644 -1.774 542 1HH2 ARG 74 1HH2 ARG 74 1.087 -16.149 -2.877 543 2HH2 ARG 74 2HH2 ARG 74 2.500 -15.969 -1.892 544 H GLY 75 H GLY 75 -1.348 -22.237 -4.641 545 1HA GLY 75 1HA GLY 75 -2.321 -22.494 -6.747 546 2HA GLY 75 2HA GLY 75 -2.699 -20.773 -6.656 547 H LEU 76 H LEU 76 -3.851 -23.160 -4.343 548 HA LEU 76 HA LEU 76 -6.406 -23.650 -5.546 549 1HB LEU 76 2HB LEU 76 -5.326 -23.890 -2.747 550 2HB LEU 76 1HB LEU 76 -7.043 -24.138 -3.058 551 HG LEU 76 HG LEU 76 -4.773 -25.619 -4.423 552 1HD1 LEU 76 2HD1 LEU 76 -6.063 -26.017 -1.904 553 2HD1 LEU 76 1HD1 LEU 76 -6.594 -27.299 -2.993 554 3HD1 LEU 76 3HD1 LEU 76 -4.873 -27.054 -2.692 555 1HD2 LEU 76 3HD2 LEU 76 -7.548 -25.215 -5.115 556 2HD2 LEU 76 2HD2 LEU 76 -6.311 -26.115 -5.993 557 3HD2 LEU 76 1HD2 LEU 76 -7.265 -26.916 -4.746 558 H LEU 77 H LEU 77 -5.327 -21.268 -3.145 559 HA LEU 77 HA LEU 77 -7.861 -20.083 -2.647 560 1HB LEU 77 2HB LEU 77 -5.031 -19.049 -2.488 561 2HB LEU 77 1HB LEU 77 -6.408 -18.024 -2.088 562 HG LEU 77 HG LEU 77 -5.288 -19.332 -0.159 563 1HD1 LEU 77 2HD1 LEU 77 -8.190 -19.105 -0.815 564 2HD1 LEU 77 1HD1 LEU 77 -7.748 -20.061 0.600 565 3HD1 LEU 77 3HD1 LEU 77 -7.275 -18.365 0.499 566 1HD2 LEU 77 1HD2 LEU 77 -6.877 -21.555 -1.470 567 2HD2 LEU 77 3HD2 LEU 77 -5.121 -21.495 -1.306 568 3HD2 LEU 77 2HD2 LEU 77 -6.136 -21.639 0.128 569 H LYS 78 H LYS 78 -5.410 -19.397 -5.119 570 HA LYS 78 HA LYS 78 -6.686 -17.085 -6.214 571 1HB LYS 78 2HB LYS 78 -4.838 -19.136 -7.457 572 2HB LYS 78 1HB LYS 78 -5.357 -17.670 -8.286 573 1HG LYS 78 2HG LYS 78 -4.472 -16.363 -6.295 574 2HG LYS 78 1HG LYS 78 -3.753 -17.870 -5.725 575 1HD LYS 78 2HD LYS 78 -2.195 -16.416 -7.092 576 2HD LYS 78 1HD LYS 78 -2.393 -18.056 -7.709 577 1HE LYS 78 2HE LYS 78 -3.421 -17.341 -9.606 578 2HE LYS 78 1HE LYS 78 -4.377 -16.138 -8.741 579 1HZ LYS 78 1HZ LYS 78 -2.063 -14.984 -8.516 580 2HZ LYS 78 3HZ LYS 78 -1.689 -15.905 -9.890 581 3HZ LYS 78 2HZ LYS 78 -2.983 -14.805 -9.934 582 H ASP 79 H ASP 79 -7.144 -20.537 -6.764 583 HA ASP 79 HA ASP 79 -8.927 -20.128 -9.037 584 1HB ASP 79 2HB ASP 79 -7.608 -22.207 -8.797 585 2HB ASP 79 1HB ASP 79 -8.484 -22.583 -7.313 586 H VAL 80 H VAL 80 -9.367 -21.124 -5.641 587 HA VAL 80 HA VAL 80 -12.224 -21.222 -5.752 588 HB VAL 80 HB VAL 80 -10.605 -22.127 -3.945 589 1HG1 VAL 80 2HG1 VAL 80 -9.518 -19.945 -3.489 590 2HG1 VAL 80 1HG1 VAL 80 -11.055 -19.325 -2.886 591 3HG1 VAL 80 3HG1 VAL 80 -10.240 -20.639 -2.037 592 1HG2 VAL 80 3HG2 VAL 80 -13.307 -20.926 -3.637 593 2HG2 VAL 80 2HG2 VAL 80 -12.787 -22.594 -3.399 594 3HG2 VAL 80 1HG2 VAL 80 -12.477 -21.387 -2.152 595 H ALA 81 H ALA 81 -9.978 -18.669 -4.769 596 HA ALA 81 HA ALA 81 -11.777 -16.729 -3.870 597 1HB ALA 81 2HB ALA 81 -9.355 -16.383 -3.807 598 2HB ALA 81 1HB ALA 81 -9.300 -16.315 -5.570 599 3HB ALA 81 3HB ALA 81 -10.124 -15.046 -4.663 600 H LYS 82 H LYS 82 -10.936 -17.536 -7.222 601 HA LYS 82 HA LYS 82 -12.500 -15.412 -8.392 602 1HB LYS 82 2HB LYS 82 -11.563 -18.057 -9.545 603 2HB LYS 82 1HB LYS 82 -12.280 -16.750 -10.488 604 1HG LYS 82 2HG LYS 82 -10.454 -15.238 -9.600 605 2HG LYS 82 1HG LYS 82 -9.691 -16.673 -8.915 606 1HD LYS 82 2HD LYS 82 -9.791 -17.675 -11.266 607 2HD LYS 82 1HD LYS 82 -10.206 -16.057 -11.833 608 1HE LYS 82 2HE LYS 82 -8.105 -15.281 -10.533 609 2HE LYS 82 1HE LYS 82 -7.658 -16.988 -10.510 610 1HZ LYS 82 1HZ LYS 82 -8.387 -16.565 -13.084 611 2HZ LYS 82 3HZ LYS 82 -7.606 -15.114 -12.684 612 3HZ LYS 82 2HZ LYS 82 -6.790 -16.593 -12.506 613 H ILE 83 H ILE 83 -13.262 -18.587 -7.168 614 HA ILE 83 HA ILE 83 -15.722 -18.994 -8.575 615 HB ILE 83 HB ILE 83 -15.020 -19.941 -5.786 616 1HG1 ILE 83 2HG1 ILE 83 -14.306 -21.017 -8.522 617 2HG1 ILE 83 1HG1 ILE 83 -13.208 -20.595 -7.210 618 1HG2 ILE 83 1HG2 ILE 83 -16.894 -20.991 -7.927 619 2HG2 ILE 83 3HG2 ILE 83 -16.525 -21.829 -6.420 620 3HG2 ILE 83 2HG2 ILE 83 -17.364 -20.278 -6.385 621 1HD1 ILE 83 3HD1 ILE 83 -14.184 -22.412 -5.831 622 2HD1 ILE 83 2HD1 ILE 83 -15.239 -22.850 -7.175 623 3HD1 ILE 83 1HD1 ILE 83 -13.492 -23.035 -7.329 624 H PHE 84 H PHE 84 -15.006 -17.486 -5.438 625 HA PHE 84 HA PHE 84 -17.830 -16.709 -5.111 626 1HB PHE 84 2HB PHE 84 -15.377 -16.100 -3.430 627 2HB PHE 84 1HB PHE 84 -17.034 -15.688 -2.990 628 HD1 PHE 84 HD1 PHE 84 -14.795 -18.555 -3.822 629 HD2 PHE 84 HD2 PHE 84 -18.464 -17.288 -1.984 630 HE1 PHE 84 HE1 PHE 84 -15.115 -20.830 -2.893 631 HE2 PHE 84 HE2 PHE 84 -18.784 -19.564 -1.055 632 HZ PHE 84 HZ PHE 84 -17.109 -21.336 -1.509 No H/Q in entry = 632
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