NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
458760 | 2kvv | 16795 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 5.462 -3.204 1.161 2 H2 MET 1 2H MET 1 4.181 -4.197 1.641 3 H3 MET 1 3H MET 1 5.274 -4.731 0.466 4 HA MET 1 HA MET 1 5.685 -5.778 2.605 5 HB2 MET 1 2HB MET 1 7.876 -3.826 1.847 6 HB3 MET 1 3HB MET 1 8.082 -5.333 2.728 7 HG2 MET 1 2HG MET 1 7.255 -5.010 -0.146 8 HG3 MET 1 3HG MET 1 8.777 -5.656 0.464 9 HE1 MET 1 3HE MET 1 8.432 -7.744 -1.175 10 HE2 MET 1 1HE MET 1 6.882 -7.093 -1.709 11 HE3 MET 1 2HE MET 1 6.993 -8.763 -1.156 12 H ALA 2 H ALA 2 4.675 -5.307 4.503 13 HA ALA 2 HA ALA 2 4.978 -2.746 5.816 14 HB1 ALA 2 3HB ALA 2 3.715 -5.302 6.834 15 HB2 ALA 2 1HB ALA 2 2.878 -4.009 5.974 16 HB3 ALA 2 2HB ALA 2 3.569 -3.702 7.567 17 H GLN 3 H GLN 3 5.892 -6.096 6.650 18 HA GLN 3 HA GLN 3 8.481 -5.324 7.576 19 HB2 GLN 3 2HB GLN 3 7.148 -4.612 9.536 20 HB3 GLN 3 3HB GLN 3 6.498 -6.240 9.679 21 HG2 GLN 3 2HG GLN 3 8.800 -7.083 10.057 22 HG3 GLN 3 3HG GLN 3 9.380 -5.419 10.019 23 HE21 GLN 3 1HE2 GLN 3 10.148 -5.527 12.112 24 HE22 GLN 3 2HE2 GLN 3 9.104 -5.557 13.485 25 H ILE 4 H ILE 4 9.854 -7.042 7.492 26 HA ILE 4 HA ILE 4 8.893 -9.531 6.469 27 HB ILE 4 HB ILE 4 11.670 -8.891 7.493 28 HG12 ILE 4 2HG1 ILE 4 10.983 -7.311 5.729 29 HG13 ILE 4 3HG1 ILE 4 12.241 -8.396 5.149 30 HG21 ILE 4 1HG2 ILE 4 11.260 -11.284 7.270 31 HG22 ILE 4 2HG2 ILE 4 12.382 -10.732 6.026 32 HG23 ILE 4 3HG2 ILE 4 10.696 -11.050 5.615 33 HD11 ILE 4 3HD1 ILE 4 9.297 -8.653 4.574 34 HD12 ILE 4 1HD1 ILE 4 10.567 -9.717 3.974 35 HD13 ILE 4 2HD1 ILE 4 10.520 -8.028 3.468 36 H ILE 5 H ILE 5 7.514 -10.396 8.034 37 HA ILE 5 HA ILE 5 8.653 -11.167 10.626 38 HB ILE 5 HB ILE 5 5.817 -11.449 9.591 39 HG12 ILE 5 2HG1 ILE 5 7.002 -9.448 11.545 40 HG13 ILE 5 3HG1 ILE 5 6.511 -9.093 9.893 41 HG21 ILE 5 1HG2 ILE 5 5.224 -11.921 11.940 42 HG22 ILE 5 2HG2 ILE 5 6.935 -11.896 12.367 43 HG23 ILE 5 3HG2 ILE 5 6.317 -13.136 11.276 44 HD11 ILE 5 3HD1 ILE 5 4.677 -9.992 12.107 45 HD12 ILE 5 1HD1 ILE 5 4.200 -9.581 10.460 46 HD13 ILE 5 2HD1 ILE 5 4.865 -8.340 11.522 47 H PHE 6 H PHE 6 8.982 -13.284 11.228 48 HA PHE 6 HA PHE 6 8.809 -15.294 9.068 49 HB2 PHE 6 2HB PHE 6 10.669 -15.205 11.456 50 HB3 PHE 6 3HB PHE 6 10.666 -16.447 10.209 51 HD1 PHE 6 HD2 PHE 6 11.380 -15.878 7.900 52 HD2 PHE 6 HD1 PHE 6 11.738 -13.104 11.113 53 HE1 PHE 6 HE2 PHE 6 12.975 -14.557 6.579 54 HE2 PHE 6 HE1 PHE 6 13.331 -11.778 9.789 55 HZ PHE 6 HZ PHE 6 13.953 -12.505 7.522 56 H ASN 7 H ASN 7 7.899 -17.299 9.444 57 HA ASN 7 HA ASN 7 6.195 -17.633 11.734 58 HB2 ASN 7 2HB ASN 7 6.950 -19.617 9.569 59 HB3 ASN 7 3HB ASN 7 5.667 -19.840 10.756 60 HD21 ASN 7 1HD2 ASN 7 3.806 -18.537 10.614 61 HD22 ASN 7 2HD2 ASN 7 3.378 -17.751 9.135 62 H GLU 8 H GLU 8 7.458 -17.708 13.587 63 HA GLU 8 HA GLU 8 9.618 -19.675 13.741 64 HB2 GLU 8 2HB GLU 8 10.114 -18.618 15.935 65 HB3 GLU 8 3HB GLU 8 10.165 -17.497 14.584 66 HG2 GLU 8 2HG GLU 8 7.928 -16.681 15.187 67 HG3 GLU 8 3HG GLU 8 7.910 -17.785 16.564 68 H GLU 9 H GLU 9 6.745 -20.469 13.689 69 HA GLU 9 HA GLU 9 6.213 -21.609 16.280 70 HB2 GLU 9 2HB GLU 9 4.928 -21.880 13.569 71 HB3 GLU 9 3HB GLU 9 4.460 -22.935 14.897 72 HG2 GLU 9 2HG GLU 9 4.337 -19.923 14.962 73 HG3 GLU 9 3HG GLU 9 2.971 -20.989 14.628 74 H TRP 10 H TRP 10 8.680 -22.377 15.853 75 HA TRP 10 HA TRP 10 8.756 -25.102 14.815 76 HB2 TRP 10 2HB TRP 10 10.896 -23.440 16.188 77 HB3 TRP 10 3HB TRP 10 11.151 -25.019 15.454 78 HD1 TRP 10 HD1 TRP 10 10.389 -21.373 14.488 79 HE1 TRP 10 HE1 TRP 10 11.097 -21.014 12.042 80 HE3 TRP 10 HE3 TRP 10 11.594 -26.191 13.279 81 HZ2 TRP 10 HZ2 TRP 10 12.053 -22.565 9.886 82 HZ3 TRP 10 HZ3 TRP 10 12.400 -26.670 11.004 83 HH2 TRP 10 HH2 TRP 10 12.623 -24.895 9.342 84 H MET 11 H MET 11 8.489 -26.877 16.071 85 HA MET 11 HA MET 11 8.889 -26.718 18.959 86 HB2 MET 11 2HB MET 11 6.611 -27.631 19.410 87 HB3 MET 11 3HB MET 11 6.609 -25.992 18.772 88 HG2 MET 11 2HG MET 11 6.180 -27.006 16.499 89 HG3 MET 11 3HG MET 11 5.910 -28.537 17.329 90 HE1 MET 11 3HE MET 11 4.972 -24.860 18.462 91 HE2 MET 11 1HE MET 11 3.315 -24.754 17.862 92 HE3 MET 11 2HE MET 11 4.657 -24.888 16.726 93 H VAL 12 H VAL 12 9.130 -28.722 19.988 94 HA VAL 12 HA VAL 12 10.222 -30.795 18.360 95 HB VAL 12 HB VAL 12 10.588 -32.022 20.445 96 HG11 VAL 12 1HG1 VAL 12 11.213 -29.072 20.676 97 HG12 VAL 12 2HG1 VAL 12 12.185 -30.287 19.846 98 HG13 VAL 12 3HG1 VAL 12 11.996 -30.359 21.597 99 HG21 VAL 12 3HG2 VAL 12 8.501 -31.533 21.593 100 HG22 VAL 12 1HG2 VAL 12 8.954 -29.834 21.743 101 HG23 VAL 12 2HG2 VAL 12 9.870 -31.072 22.603 102 H GLU 13 H GLU 13 9.577 -33.191 19.043 103 HA GLU 13 HA GLU 13 7.243 -33.781 17.655 104 HB2 GLU 13 2HB GLU 13 9.118 -35.348 17.994 105 HB3 GLU 13 3HB GLU 13 8.670 -35.510 19.687 106 HG2 GLU 13 2HG GLU 13 6.504 -36.465 19.004 107 HG3 GLU 13 3HG GLU 13 7.002 -36.349 17.316 108 H LYS 14 H LYS 14 7.720 -34.110 21.190 109 HA LYS 14 HA LYS 14 5.052 -34.835 21.745 110 HB2 LYS 14 2HB LYS 14 6.907 -35.359 23.246 111 HB3 LYS 14 3HB LYS 14 7.155 -33.651 23.572 112 HG2 LYS 14 2HG LYS 14 4.439 -34.678 24.149 113 HG3 LYS 14 3HG LYS 14 5.731 -35.316 25.167 114 HD2 LYS 14 2HD LYS 14 5.182 -32.376 24.707 115 HD3 LYS 14 3HD LYS 14 4.643 -33.294 26.116 116 HE2 LYS 14 2HE LYS 14 6.968 -33.779 26.694 117 HE3 LYS 14 3HE LYS 14 7.519 -32.888 25.277 118 HZ1 LYS 14 3HZ LYS 14 6.544 -30.886 26.211 119 HZ2 LYS 14 1HZ LYS 14 7.680 -31.547 27.271 120 HZ3 LYS 14 2HZ LYS 14 6.027 -31.739 27.575 121 H ALA 15 H ALA 15 6.618 -31.666 21.624 122 HA ALA 15 HA ALA 15 4.416 -30.205 22.689 123 HB1 ALA 15 3HB ALA 15 6.708 -29.302 22.592 124 HB2 ALA 15 1HB ALA 15 5.536 -28.226 21.828 125 HB3 ALA 15 2HB ALA 15 6.592 -29.231 20.834 126 H LEU 16 H LEU 16 5.394 -31.079 19.404 127 HA LEU 16 HA LEU 16 3.549 -29.535 17.969 128 HB2 LEU 16 2HB LEU 16 5.580 -30.678 17.063 129 HB3 LEU 16 3HB LEU 16 4.733 -32.206 17.172 130 HG LEU 16 HG LEU 16 4.873 -31.089 14.874 131 HD11 LEU 16 1HD1 LEU 16 2.656 -31.813 14.204 132 HD12 LEU 16 2HD1 LEU 16 2.126 -31.815 15.886 133 HD13 LEU 16 3HD1 LEU 16 3.359 -32.957 15.348 134 HD21 LEU 16 3HD2 LEU 16 3.200 -29.383 14.376 135 HD22 LEU 16 1HD2 LEU 16 4.353 -28.811 15.582 136 HD23 LEU 16 2HD2 LEU 16 2.739 -29.324 16.077 137 H MET 17 H MET 17 3.289 -32.930 19.087 138 HA MET 17 HA MET 17 0.795 -33.472 17.926 139 HB2 MET 17 2HB MET 17 0.627 -35.337 19.477 140 HB3 MET 17 3HB MET 17 2.265 -35.212 18.860 141 HG2 MET 17 2HG MET 17 2.964 -34.132 20.939 142 HG3 MET 17 3HG MET 17 1.322 -34.281 21.563 143 HE1 MET 17 3HE MET 17 4.112 -37.851 20.664 144 HE2 MET 17 1HE MET 17 4.528 -36.161 20.381 145 HE3 MET 17 2HE MET 17 3.308 -36.950 19.380 146 H VAL 18 H VAL 18 1.590 -31.817 20.926 147 HA VAL 18 HA VAL 18 -1.089 -31.742 21.944 148 HB VAL 18 HB VAL 18 1.286 -29.990 22.642 149 HG11 VAL 18 1HG1 VAL 18 0.069 -29.561 24.755 150 HG12 VAL 18 2HG1 VAL 18 -1.322 -30.434 24.108 151 HG13 VAL 18 3HG1 VAL 18 -0.784 -28.939 23.342 152 HG21 VAL 18 3HG2 VAL 18 1.747 -32.361 23.028 153 HG22 VAL 18 1HG2 VAL 18 0.268 -32.507 23.978 154 HG23 VAL 18 2HG2 VAL 18 1.593 -31.495 24.556 155 H ARG 19 H ARG 19 0.941 -29.497 20.095 156 HA ARG 19 HA ARG 19 -0.904 -27.321 20.117 157 HB2 ARG 19 2HB ARG 19 1.440 -27.897 18.287 158 HB3 ARG 19 3HB ARG 19 0.588 -26.361 18.376 159 HG2 ARG 19 2HG ARG 19 1.894 -27.584 20.792 160 HG3 ARG 19 3HG ARG 19 2.791 -26.579 19.655 161 HD2 ARG 19 2HD ARG 19 0.242 -25.641 20.960 162 HD3 ARG 19 3HD ARG 19 1.818 -25.432 21.722 163 HE ARG 19 HE ARG 19 1.678 -24.433 19.022 164 HH11 ARG 19 1HH1 ARG 19 1.075 -23.657 22.324 165 HH12 ARG 19 2HH1 ARG 19 1.350 -21.965 22.094 166 HH21 ARG 19 1HH2 ARG 19 2.050 -22.257 18.738 167 HH22 ARG 19 2HH2 ARG 19 1.898 -21.180 20.084 168 H THR 20 H THR 20 -0.423 -30.055 17.957 169 HA THR 20 HA THR 20 -2.307 -28.969 15.985 170 HB THR 20 HB THR 20 -1.739 -30.998 14.649 171 HG1 THR 20 HG1 THR 20 0.438 -31.556 16.308 172 HG21 THR 20 3HG2 THR 20 0.577 -30.338 14.123 173 HG22 THR 20 1HG2 THR 20 0.629 -29.373 15.599 174 HG23 THR 20 2HG2 THR 20 -0.479 -28.936 14.297 175 H GLY 21 H GLY 21 -2.123 -31.483 18.435 176 HA2 GLY 21 2HA GLY 21 -4.057 -32.429 19.458 177 HA3 GLY 21 3HA GLY 21 -4.974 -32.093 17.999 178 H LEU 22 H LEU 22 -1.981 -33.420 17.230 179 HA LEU 22 HA LEU 22 -3.203 -35.982 16.538 180 HB2 LEU 22 2HB LEU 22 -0.649 -34.601 15.765 181 HB3 LEU 22 3HB LEU 22 -0.854 -36.313 15.457 182 HG LEU 22 HG LEU 22 -2.762 -35.873 14.011 183 HD11 LEU 22 1HD1 LEU 22 -2.281 -32.940 14.555 184 HD12 LEU 22 2HD1 LEU 22 -3.645 -33.884 15.154 185 HD13 LEU 22 3HD1 LEU 22 -3.452 -33.620 13.423 186 HD21 LEU 22 3HD2 LEU 22 -0.362 -34.166 13.354 187 HD22 LEU 22 1HD2 LEU 22 -1.583 -34.708 12.201 188 HD23 LEU 22 2HD2 LEU 22 -0.554 -35.886 13.015 189 H GLY 23 H GLY 23 -1.666 -37.951 16.705 190 HA2 GLY 23 2HA GLY 23 -0.385 -37.983 19.380 191 HA3 GLY 23 3HA GLY 23 -1.186 -39.369 18.655 192 H ALA 24 H ALA 24 1.434 -39.493 19.639 193 HA ALA 24 HA ALA 24 3.534 -38.965 17.915 194 HB1 ALA 24 3HB ALA 24 3.267 -41.342 19.757 195 HB2 ALA 24 1HB ALA 24 3.806 -39.730 20.226 196 HB3 ALA 24 2HB ALA 24 4.774 -40.692 19.109 197 H ARG 25 H ARG 25 1.445 -41.840 17.953 198 HA ARG 25 HA ARG 25 2.841 -43.331 16.013 199 HB2 ARG 25 2HB ARG 25 1.143 -44.316 17.489 200 HB3 ARG 25 3HB ARG 25 -0.112 -43.382 16.683 201 HG2 ARG 25 2HG ARG 25 0.398 -44.572 14.575 202 HG3 ARG 25 3HG ARG 25 1.585 -45.546 15.446 203 HD2 ARG 25 2HD ARG 25 -0.480 -46.778 15.240 204 HD3 ARG 25 3HD ARG 25 -0.210 -46.359 16.931 205 HE ARG 25 HE ARG 25 -1.816 -44.378 15.750 206 HH11 ARG 25 1HH1 ARG 25 -1.982 -47.691 16.694 207 HH12 ARG 25 2HH1 ARG 25 -3.694 -47.645 16.939 208 HH21 ARG 25 1HH2 ARG 25 -4.006 -44.336 16.075 209 HH22 ARG 25 2HH2 ARG 25 -4.825 -45.769 16.598 210 H GLN 26 H GLN 26 0.184 -40.991 15.669 211 HA GLN 26 HA GLN 26 -0.179 -41.433 12.883 212 HB2 GLN 26 2HB GLN 26 -1.856 -40.383 14.470 213 HB3 GLN 26 3HB GLN 26 -0.894 -38.912 14.398 214 HG2 GLN 26 2HG GLN 26 -1.270 -38.763 11.996 215 HG3 GLN 26 3HG GLN 26 -2.194 -40.263 12.035 216 HE21 GLN 26 1HE2 GLN 26 -3.047 -37.639 11.162 217 HE22 GLN 26 2HE2 GLN 26 -4.396 -37.206 12.149 218 H ILE 27 H ILE 27 1.814 -39.204 14.757 219 HA ILE 27 HA ILE 27 2.683 -37.611 12.563 220 HB ILE 27 HB ILE 27 4.054 -38.071 15.226 221 HG12 ILE 27 2HG1 ILE 27 2.139 -35.884 14.345 222 HG13 ILE 27 3HG1 ILE 27 1.754 -37.192 15.459 223 HG21 ILE 27 1HG2 ILE 27 4.421 -35.870 13.182 224 HG22 ILE 27 2HG2 ILE 27 5.575 -37.152 13.549 225 HG23 ILE 27 3HG2 ILE 27 5.191 -35.937 14.769 226 HD11 ILE 27 3HD1 ILE 27 2.172 -35.140 16.658 227 HD12 ILE 27 1HD1 ILE 27 3.766 -34.999 15.917 228 HD13 ILE 27 2HD1 ILE 27 3.423 -36.325 17.029 229 H GLU 28 H GLU 28 4.126 -40.460 14.198 230 HA GLU 28 HA GLU 28 6.488 -40.511 12.646 231 HB2 GLU 28 2HB GLU 28 6.884 -42.714 13.477 232 HB3 GLU 28 3HB GLU 28 6.140 -41.802 14.781 233 HG2 GLU 28 2HG GLU 28 4.052 -42.906 14.464 234 HG3 GLU 28 3HG GLU 28 4.608 -43.659 12.971 235 H SER 29 H SER 29 3.311 -42.026 12.153 236 HA SER 29 HA SER 29 3.880 -43.402 9.773 237 HB2 SER 29 2HB SER 29 1.770 -43.745 10.956 238 HB3 SER 29 3HB SER 29 1.290 -42.078 10.642 239 HG SER 29 HG SER 29 1.890 -43.876 8.530 240 H TYR 30 H TYR 30 2.880 -40.032 10.306 241 HA TYR 30 HA TYR 30 2.852 -39.270 7.582 242 HB2 TYR 30 2HB TYR 30 3.217 -37.676 10.116 243 HB3 TYR 30 3HB TYR 30 3.220 -36.923 8.527 244 HD1 TYR 30 HD2 TYR 30 1.033 -38.854 7.382 245 HD2 TYR 30 HD1 TYR 30 1.288 -36.465 10.904 246 HE1 TYR 30 HE2 TYR 30 -1.419 -38.679 7.435 247 HE2 TYR 30 HE1 TYR 30 -1.162 -36.285 10.960 248 HH TYR 30 HH TYR 30 -3.055 -36.435 9.322 249 H ARG 31 H ARG 31 5.477 -39.402 9.964 250 HA ARG 31 HA ARG 31 7.408 -38.113 8.316 251 HB2 ARG 31 2HB ARG 31 7.753 -40.005 10.646 252 HB3 ARG 31 3HB ARG 31 9.090 -39.179 9.851 253 HG2 ARG 31 2HG ARG 31 7.991 -37.008 10.411 254 HG3 ARG 31 3HG ARG 31 6.796 -37.911 11.342 255 HD2 ARG 31 2HD ARG 31 9.778 -37.898 11.841 256 HD3 ARG 31 3HD ARG 31 8.578 -36.990 12.762 257 HE ARG 31 HE ARG 31 8.461 -39.927 12.638 258 HH11 ARG 31 1HH1 ARG 31 8.743 -37.016 14.455 259 HH12 ARG 31 2HH1 ARG 31 8.628 -37.831 15.972 260 HH21 ARG 31 1HH2 ARG 31 8.332 -40.957 14.604 261 HH22 ARG 31 2HH2 ARG 31 8.391 -40.024 16.063 262 H GLN 32 H GLN 32 6.144 -41.312 8.385 263 HA GLN 32 HA GLN 32 8.126 -42.353 6.541 264 HB2 GLN 32 2HB GLN 32 5.462 -43.468 7.461 265 HB3 GLN 32 3HB GLN 32 6.627 -44.334 6.467 266 HG2 GLN 32 2HG GLN 32 8.227 -44.377 8.235 267 HG3 GLN 32 3HG GLN 32 7.260 -43.277 9.216 268 HE21 GLN 32 1HE2 GLN 32 7.191 -44.732 10.928 269 HE22 GLN 32 2HE2 GLN 32 6.227 -46.164 10.882 270 H GLY 33 H GLY 33 6.127 -39.964 6.040 271 HA2 GLY 33 2HA GLY 33 5.786 -40.566 3.219 272 HA3 GLY 33 3HA GLY 33 4.292 -40.355 4.111 273 H ALA 34 H ALA 34 4.001 -38.236 5.230 274 HA ALA 34 HA ALA 34 4.430 -36.222 3.212 275 HB1 ALA 34 3HB ALA 34 2.832 -34.892 4.449 276 HB2 ALA 34 1HB ALA 34 2.923 -36.007 5.815 277 HB3 ALA 34 2HB ALA 34 2.243 -36.546 4.278 278 H TRP 35 H TRP 35 5.602 -36.678 6.533 279 HA TRP 35 HA TRP 35 6.655 -34.028 6.803 280 HB2 TRP 35 2HB TRP 35 6.925 -36.579 8.317 281 HB3 TRP 35 3HB TRP 35 8.116 -35.335 8.611 282 HD1 TRP 35 HD1 TRP 35 7.460 -34.701 11.003 283 HE1 TRP 35 HE1 TRP 35 5.376 -33.708 12.124 284 HE3 TRP 35 HE3 TRP 35 4.198 -35.021 7.088 285 HZ2 TRP 35 HZ2 TRP 35 2.715 -33.133 11.453 286 HZ3 TRP 35 HZ3 TRP 35 1.896 -34.209 7.413 287 HH2 TRP 35 HH2 TRP 35 1.170 -33.290 9.555 288 H ILE 36 H ILE 36 8.117 -33.375 5.310 289 HA ILE 36 HA ILE 36 10.338 -35.146 4.551 290 HB ILE 36 HB ILE 36 9.445 -32.528 3.317 291 HG12 ILE 36 2HG1 ILE 36 9.130 -35.379 2.330 292 HG13 ILE 36 3HG1 ILE 36 7.838 -34.366 2.971 293 HG21 ILE 36 1HG2 ILE 36 10.998 -33.075 1.493 294 HG22 ILE 36 2HG2 ILE 36 11.542 -34.495 2.383 295 HG23 ILE 36 3HG2 ILE 36 11.845 -32.883 3.029 296 HD11 ILE 36 3HD1 ILE 36 8.162 -32.805 1.112 297 HD12 ILE 36 1HD1 ILE 36 7.761 -34.431 0.560 298 HD13 ILE 36 2HD1 ILE 36 9.424 -33.854 0.463 299 H GLU 37 H GLU 37 12.347 -34.819 5.299 300 HA GLU 37 HA GLU 37 13.041 -32.776 7.125 301 HB2 GLU 37 2HB GLU 37 14.154 -34.991 7.016 302 HB3 GLU 37 3HB GLU 37 14.878 -34.540 5.480 303 HG2 GLU 37 2HG GLU 37 16.116 -32.742 6.581 304 HG3 GLU 37 3HG GLU 37 15.375 -33.171 8.122 305 H GLY 38 H GLY 38 13.946 -30.797 6.853 306 HA2 GLY 38 2HA GLY 38 15.063 -29.057 5.732 307 HA3 GLY 38 3HA GLY 38 14.970 -29.976 4.238 308 H VAL 39 H VAL 39 12.013 -30.432 4.761 309 HA VAL 39 HA VAL 39 11.097 -27.829 3.728 310 HB VAL 39 HB VAL 39 9.764 -30.538 3.470 311 HG11 VAL 39 1HG1 VAL 39 8.285 -29.413 1.852 312 HG12 VAL 39 2HG1 VAL 39 9.055 -27.871 2.231 313 HG13 VAL 39 3HG1 VAL 39 8.134 -28.724 3.470 314 HG21 VAL 39 3HG2 VAL 39 10.431 -30.413 1.105 315 HG22 VAL 39 1HG2 VAL 39 11.835 -30.413 2.174 316 HG23 VAL 39 2HG2 VAL 39 11.293 -28.909 1.429 317 H HIS 40 H HIS 40 9.471 -30.492 5.522 318 HA HIS 40 HA HIS 40 7.794 -28.513 6.842 319 HB2 HIS 40 2HB HIS 40 7.765 -31.533 6.834 320 HB3 HIS 40 3HB HIS 40 6.695 -30.581 7.856 321 HD1 HIS 40 HD1 HIS 40 6.650 -28.509 5.096 322 HD2 HIS 40 HD2 HIS 40 5.176 -32.351 5.715 323 HE1 HIS 40 HE1 HIS 40 4.874 -28.840 3.363 324 HE2 HIS 40 HE2 HIS 40 4.159 -31.230 3.619 325 H PHE 41 H PHE 41 10.716 -30.099 7.563 326 HA PHE 41 HA PHE 41 10.800 -28.836 10.158 327 HB2 PHE 41 2HB PHE 41 11.287 -30.845 11.465 328 HB3 PHE 41 3HB PHE 41 9.688 -30.949 10.742 329 HD1 PHE 41 HD2 PHE 41 13.123 -32.257 10.646 330 HD2 PHE 41 HD1 PHE 41 9.172 -32.633 9.104 331 HE1 PHE 41 HE2 PHE 41 13.700 -34.457 9.723 332 HE2 PHE 41 HE1 PHE 41 9.751 -34.837 8.180 333 HZ PHE 41 HZ PHE 41 12.009 -35.752 8.490 334 H LYS 42 H LYS 42 12.987 -29.233 11.265 335 HA LYS 42 HA LYS 42 15.108 -30.026 9.395 336 HB2 LYS 42 2HB LYS 42 16.338 -28.030 9.533 337 HB3 LYS 42 3HB LYS 42 14.682 -27.499 9.284 338 HG2 LYS 42 2HG LYS 42 14.532 -27.175 11.785 339 HG3 LYS 42 3HG LYS 42 16.275 -27.444 11.838 340 HD2 LYS 42 2HD LYS 42 14.794 -25.229 10.418 341 HD3 LYS 42 3HD LYS 42 15.898 -25.076 11.783 342 HE2 LYS 42 2HE LYS 42 16.659 -26.004 9.008 343 HE3 LYS 42 3HE LYS 42 16.918 -24.382 9.644 344 HZ1 LYS 42 3HZ LYS 42 18.332 -25.395 11.382 345 HZ2 LYS 42 1HZ LYS 42 18.931 -25.622 9.818 346 HZ3 LYS 42 2HZ LYS 42 18.166 -26.895 10.621 347 H ARG 43 H ARG 43 17.349 -29.868 10.635 348 HA ARG 43 HA ARG 43 16.890 -31.361 13.140 349 HB2 ARG 43 2HB ARG 43 19.264 -31.447 11.263 350 HB3 ARG 43 3HB ARG 43 19.033 -32.459 12.683 351 HG2 ARG 43 2HG ARG 43 17.258 -32.452 10.244 352 HG3 ARG 43 3HG ARG 43 18.517 -33.636 10.593 353 HD2 ARG 43 2HD ARG 43 16.089 -33.113 12.313 354 HD3 ARG 43 3HD ARG 43 16.266 -34.451 11.179 355 HE ARG 43 HE ARG 43 17.803 -34.095 13.663 356 HH11 ARG 43 1HH1 ARG 43 16.712 -36.075 11.067 357 HH12 ARG 43 2HH1 ARG 43 17.273 -37.538 11.798 358 HH21 ARG 43 1HH2 ARG 43 18.554 -35.964 14.584 359 HH22 ARG 43 2HH2 ARG 43 18.328 -37.473 13.765 360 H VAL 44 H VAL 44 17.213 -30.164 14.904 361 HA VAL 44 HA VAL 44 19.388 -28.171 14.919 362 HB VAL 44 HB VAL 44 16.915 -28.374 16.648 363 HG11 VAL 44 1HG1 VAL 44 19.117 -26.306 16.710 364 HG12 VAL 44 2HG1 VAL 44 18.765 -27.498 17.961 365 HG13 VAL 44 3HG1 VAL 44 17.602 -26.221 17.611 366 HG21 VAL 44 3HG2 VAL 44 16.255 -26.285 15.530 367 HG22 VAL 44 1HG2 VAL 44 16.453 -27.608 14.379 368 HG23 VAL 44 2HG2 VAL 44 17.703 -26.369 14.524 369 H SER 45 H SER 45 21.191 -29.025 15.749 370 HA SER 45 HA SER 45 21.105 -31.021 17.873 371 HB2 SER 45 2HB SER 45 23.459 -29.817 16.382 372 HB3 SER 45 3HB SER 45 23.560 -31.147 17.535 373 HG SER 45 HG SER 45 23.132 -32.406 15.927 374 HA PRO 46 HA PRO 46 22.098 -28.151 21.202 375 HB2 PRO 46 2HB PRO 46 23.544 -30.379 22.486 376 HB3 PRO 46 3HB PRO 46 22.108 -29.507 23.035 377 HG2 PRO 46 2HG PRO 46 21.952 -32.044 22.166 378 HG3 PRO 46 3HG PRO 46 20.661 -30.872 21.843 379 HD2 PRO 46 2HD PRO 46 22.865 -31.804 20.024 380 HD3 PRO 46 3HD PRO 46 21.134 -31.595 19.674 381 H SER 47 H SER 47 24.036 -28.592 18.892 382 HA SER 47 HA SER 47 26.285 -27.211 20.022 383 HB2 SER 47 2HB SER 47 27.002 -29.518 20.473 384 HB3 SER 47 3HB SER 47 26.695 -29.963 18.794 385 HG SER 47 HG SER 47 28.959 -29.236 19.656 386 H GLY 48 H GLY 48 28.023 -27.051 18.050 387 HA2 GLY 48 2HA GLY 48 26.451 -25.964 15.828 388 HA3 GLY 48 3HA GLY 48 28.155 -25.681 16.134 389 H GLU 49 H GLU 49 28.407 -28.725 16.474 390 HA GLU 49 HA GLU 49 29.080 -29.171 13.667 391 HB2 GLU 49 2HB GLU 49 29.812 -30.722 16.160 392 HB3 GLU 49 3HB GLU 49 30.393 -31.086 14.539 393 HG2 GLU 49 2HG GLU 49 31.518 -28.927 14.438 394 HG3 GLU 49 3HG GLU 49 30.899 -28.519 16.039 395 H LYS 50 H LYS 50 29.055 -31.650 13.108 396 HA LYS 50 HA LYS 50 26.300 -32.378 12.849 397 HB2 LYS 50 2HB LYS 50 27.221 -34.335 11.586 398 HB3 LYS 50 3HB LYS 50 27.781 -32.774 11.000 399 HG2 LYS 50 2HG LYS 50 29.881 -33.107 12.307 400 HG3 LYS 50 3HG LYS 50 29.325 -34.734 12.700 401 HD2 LYS 50 2HD LYS 50 29.753 -33.677 9.899 402 HD3 LYS 50 3HD LYS 50 30.910 -34.666 10.789 403 HE2 LYS 50 2HE LYS 50 29.271 -36.482 10.901 404 HE3 LYS 50 3HE LYS 50 28.106 -35.487 10.025 405 HZ1 LYS 50 3HZ LYS 50 29.207 -37.019 8.542 406 HZ2 LYS 50 1HZ LYS 50 30.726 -36.425 8.991 407 HZ3 LYS 50 2HZ LYS 50 29.642 -35.433 8.150 408 H THR 51 H THR 51 25.205 -33.266 14.504 409 HA THR 51 HA THR 51 26.336 -35.674 15.768 410 HB THR 51 HB THR 51 25.307 -35.101 17.906 411 HG1 THR 51 HG1 THR 51 24.351 -33.069 18.222 412 HG21 THR 51 3HG2 THR 51 26.758 -33.243 18.588 413 HG22 THR 51 1HG2 THR 51 27.056 -32.856 16.893 414 HG23 THR 51 2HG2 THR 51 27.623 -34.387 17.561 415 H LEU 52 H LEU 52 24.890 -37.354 16.101 416 HA LEU 52 HA LEU 52 22.405 -37.231 14.622 417 HB2 LEU 52 2HB LEU 52 23.632 -39.485 16.232 418 HB3 LEU 52 3HB LEU 52 22.180 -39.628 15.261 419 HG LEU 52 HG LEU 52 23.925 -40.572 13.977 420 HD11 LEU 52 1HD1 LEU 52 23.485 -37.772 12.939 421 HD12 LEU 52 2HD1 LEU 52 22.406 -39.149 12.706 422 HD13 LEU 52 3HD1 LEU 52 24.020 -39.165 11.996 423 HD21 LEU 52 3HD2 LEU 52 26.029 -39.434 13.457 424 HD22 LEU 52 1HD2 LEU 52 25.834 -39.671 15.194 425 HD23 LEU 52 2HD2 LEU 52 25.557 -38.080 14.485 426 H ARG 53 H ARG 53 23.293 -36.460 17.742 427 HA ARG 53 HA ARG 53 20.802 -37.107 19.063 428 HB2 ARG 53 2HB ARG 53 23.079 -35.284 19.884 429 HB3 ARG 53 3HB ARG 53 21.737 -35.748 20.919 430 HG2 ARG 53 2HG ARG 53 23.771 -37.654 19.754 431 HG3 ARG 53 3HG ARG 53 23.800 -37.005 21.394 432 HD2 ARG 53 2HD ARG 53 21.519 -38.025 21.721 433 HD3 ARG 53 3HD ARG 53 21.738 -38.834 20.169 434 HE ARG 53 HE ARG 53 23.966 -39.434 21.701 435 HH11 ARG 53 1HH1 ARG 53 20.564 -39.992 21.834 436 HH12 ARG 53 2HH1 ARG 53 20.729 -41.443 22.765 437 HH21 ARG 53 1HH2 ARG 53 24.159 -41.285 22.929 438 HH22 ARG 53 2HH2 ARG 53 22.733 -42.151 23.389 439 H GLY 54 H GLY 54 21.254 -35.100 16.625 440 HA2 GLY 54 2HA GLY 54 20.424 -32.544 17.510 441 HA3 GLY 54 3HA GLY 54 20.364 -33.134 15.858 442 H THR 55 H THR 55 18.548 -32.043 18.392 443 HA THR 55 HA THR 55 16.206 -33.638 18.242 444 HB THR 55 HB THR 55 16.420 -30.739 19.107 445 HG1 THR 55 HG1 THR 55 17.309 -33.070 20.255 446 HG21 THR 55 3HG2 THR 55 14.436 -31.245 20.473 447 HG22 THR 55 1HG2 THR 55 14.381 -32.872 19.794 448 HG23 THR 55 2HG2 THR 55 14.103 -31.473 18.756 449 H THR 56 H THR 56 14.413 -33.505 16.955 450 HA THR 56 HA THR 56 14.618 -31.785 14.599 451 HB THR 56 HB THR 56 12.727 -34.075 15.200 452 HG1 THR 56 HG1 THR 56 14.791 -34.842 14.818 453 HG21 THR 56 3HG2 THR 56 13.116 -32.526 12.630 454 HG22 THR 56 1HG2 THR 56 11.690 -32.465 13.668 455 HG23 THR 56 2HG2 THR 56 12.108 -33.959 12.831 456 H TRP 57 H TRP 57 13.584 -29.916 14.489 457 HA TRP 57 HA TRP 57 11.190 -29.469 16.146 458 HB2 TRP 57 2HB TRP 57 13.027 -27.477 14.783 459 HB3 TRP 57 3HB TRP 57 11.611 -27.052 15.742 460 HD1 TRP 57 HD1 TRP 57 14.913 -29.037 16.281 461 HE1 TRP 57 HE1 TRP 57 15.750 -28.557 18.661 462 HE3 TRP 57 HE3 TRP 57 11.088 -26.058 17.907 463 HZ2 TRP 57 HZ2 TRP 57 14.903 -27.126 20.934 464 HZ3 TRP 57 HZ3 TRP 57 11.177 -25.179 20.203 465 HH2 TRP 57 HH2 TRP 57 13.049 -25.704 21.687 466 H TYR 58 H TYR 58 9.251 -29.395 15.208 467 HA TYR 58 HA TYR 58 9.088 -29.533 12.288 468 HB2 TYR 58 2HB TYR 58 6.941 -30.051 14.362 469 HB3 TYR 58 3HB TYR 58 6.837 -30.408 12.641 470 HD1 TYR 58 HD2 TYR 58 8.266 -32.222 11.668 471 HD2 TYR 58 HD1 TYR 58 8.052 -31.550 15.871 472 HE1 TYR 58 HE2 TYR 58 9.211 -34.452 12.068 473 HE2 TYR 58 HE1 TYR 58 9.008 -33.781 16.276 474 HH TYR 58 HH TYR 58 10.529 -35.584 13.921 475 H ASN 59 H ASN 59 7.643 -28.271 11.056 476 HA ASN 59 HA ASN 59 7.136 -25.611 12.158 477 HB2 ASN 59 2HB ASN 59 7.015 -26.689 9.335 478 HB3 ASN 59 3HB ASN 59 6.567 -25.041 9.765 479 HD21 ASN 59 1HD2 ASN 59 9.175 -27.310 9.492 480 HD22 ASN 59 2HD2 ASN 59 10.442 -26.148 9.558 481 H TYR 60 H TYR 60 5.259 -25.280 13.141 482 HA TYR 60 HA TYR 60 2.962 -26.832 12.961 483 HB2 TYR 60 2HB TYR 60 3.505 -25.239 14.787 484 HB3 TYR 60 3HB TYR 60 3.115 -23.905 13.712 485 HD1 TYR 60 HD1 TYR 60 1.635 -26.948 15.274 486 HD2 TYR 60 HD2 TYR 60 0.915 -23.088 13.617 487 HE1 TYR 60 HE1 TYR 60 -0.701 -27.066 16.022 488 HE2 TYR 60 HE2 TYR 60 -1.427 -23.204 14.358 489 HH TYR 60 HH TYR 60 -2.555 -25.708 16.487 490 HA PRO 61 HA PRO 61 1.092 -23.449 9.832 491 HB2 PRO 61 2HB PRO 61 3.664 -22.753 8.476 492 HB3 PRO 61 3HB PRO 61 2.252 -21.740 8.802 493 HG2 PRO 61 2HG PRO 61 4.449 -21.463 10.255 494 HG3 PRO 61 3HG PRO 61 2.851 -21.394 11.025 495 HD2 PRO 61 2HD PRO 61 4.841 -23.640 10.993 496 HD3 PRO 61 3HD PRO 61 3.812 -23.065 12.321 497 H GLU 62 H GLU 62 4.037 -25.217 8.862 498 HA GLU 62 HA GLU 62 3.170 -26.062 6.320 499 HB2 GLU 62 2HB GLU 62 5.145 -27.270 8.266 500 HB3 GLU 62 3HB GLU 62 4.901 -27.894 6.641 501 HG2 GLU 62 2HG GLU 62 5.753 -25.070 7.254 502 HG3 GLU 62 3HG GLU 62 6.867 -26.389 6.894 503 H ILE 63 H ILE 63 2.928 -27.611 9.487 504 HA ILE 63 HA ILE 63 1.814 -30.050 8.543 505 HB ILE 63 HB ILE 63 1.860 -28.811 11.298 506 HG12 ILE 63 2HG1 ILE 63 3.543 -30.997 10.040 507 HG13 ILE 63 3HG1 ILE 63 4.057 -29.329 10.264 508 HG21 ILE 63 1HG2 ILE 63 1.080 -31.614 10.491 509 HG22 ILE 63 2HG2 ILE 63 0.021 -30.393 11.196 510 HG23 ILE 63 3HG2 ILE 63 1.340 -31.071 12.149 511 HD11 ILE 63 3HD1 ILE 63 4.993 -30.790 11.955 512 HD12 ILE 63 1HD1 ILE 63 3.373 -31.270 12.455 513 HD13 ILE 63 2HD1 ILE 63 3.906 -29.603 12.676 514 H ASN 64 H ASN 64 0.298 -27.215 10.152 515 HA ASN 64 HA ASN 64 -2.357 -28.095 9.977 516 HB2 ASN 64 2HB ASN 64 -1.198 -25.303 9.986 517 HB3 ASN 64 3HB ASN 64 -2.934 -25.606 9.983 518 HD21 ASN 64 1HD2 ASN 64 -3.256 -24.701 11.999 519 HD22 ASN 64 2HD2 ASN 64 -2.716 -25.467 13.450 520 H LYS 65 H LYS 65 -0.298 -26.583 7.558 521 HA LYS 65 HA LYS 65 -2.293 -26.090 5.608 522 HB2 LYS 65 2HB LYS 65 0.164 -25.264 5.699 523 HB3 LYS 65 3HB LYS 65 0.573 -26.801 4.959 524 HG2 LYS 65 2HG LYS 65 -1.400 -24.878 3.743 525 HG3 LYS 65 3HG LYS 65 0.329 -24.814 3.408 526 HD2 LYS 65 2HD LYS 65 -1.476 -27.184 2.877 527 HD3 LYS 65 3HD LYS 65 -0.929 -26.024 1.667 528 HE2 LYS 65 2HE LYS 65 1.412 -26.680 2.149 529 HE3 LYS 65 3HE LYS 65 0.813 -27.888 3.285 530 HZ1 LYS 65 3HZ LYS 65 -0.292 -29.019 1.492 531 HZ2 LYS 65 1HZ LYS 65 1.337 -28.816 1.090 532 HZ3 LYS 65 2HZ LYS 65 0.162 -27.826 0.389 533 H PHE 66 H PHE 66 -0.202 -28.900 6.242 534 HA PHE 66 HA PHE 66 -1.155 -30.519 4.125 535 HB2 PHE 66 2HB PHE 66 0.908 -31.101 5.251 536 HB3 PHE 66 3HB PHE 66 0.072 -31.282 6.791 537 HD1 PHE 66 HD2 PHE 66 0.149 -32.674 3.332 538 HD2 PHE 66 HD1 PHE 66 -0.684 -33.382 7.449 539 HE1 PHE 66 HE2 PHE 66 -0.235 -35.052 2.845 540 HE2 PHE 66 HE1 PHE 66 -1.067 -35.763 6.967 541 HZ PHE 66 HZ PHE 66 -0.843 -36.603 4.662 542 H ILE 67 H ILE 67 -2.028 -30.558 7.594 543 HA ILE 67 HA ILE 67 -4.066 -32.439 7.531 544 HB ILE 67 HB ILE 67 -3.897 -29.970 9.281 545 HG12 ILE 67 2HG1 ILE 67 -2.922 -32.802 9.774 546 HG13 ILE 67 3HG1 ILE 67 -1.896 -31.423 9.387 547 HG21 ILE 67 1HG2 ILE 67 -5.457 -32.525 9.683 548 HG22 ILE 67 2HG2 ILE 67 -6.135 -30.935 9.340 549 HG23 ILE 67 3HG2 ILE 67 -5.299 -31.226 10.864 550 HD11 ILE 67 3HD1 ILE 67 -2.561 -30.341 11.468 551 HD12 ILE 67 1HD1 ILE 67 -1.854 -31.929 11.761 552 HD13 ILE 67 2HD1 ILE 67 -3.601 -31.712 11.853 553 H ARG 68 H ARG 68 -4.162 -29.032 6.686 554 HA ARG 68 HA ARG 68 -6.856 -28.490 6.530 555 HB2 ARG 68 2HB ARG 68 -5.048 -26.858 6.118 556 HB3 ARG 68 3HB ARG 68 -4.716 -27.622 4.569 557 HG2 ARG 68 2HG ARG 68 -6.962 -26.997 3.790 558 HG3 ARG 68 3HG ARG 68 -7.271 -26.211 5.342 559 HD2 ARG 68 2HD ARG 68 -5.140 -25.461 3.332 560 HD3 ARG 68 3HD ARG 68 -6.616 -24.559 3.680 561 HE ARG 68 HE ARG 68 -5.426 -24.651 6.087 562 HH11 ARG 68 1HH1 ARG 68 -4.254 -23.739 2.978 563 HH12 ARG 68 2HH1 ARG 68 -3.093 -22.629 3.624 564 HH21 ARG 68 1HH2 ARG 68 -3.917 -23.260 6.904 565 HH22 ARG 68 2HH2 ARG 68 -2.883 -22.385 5.828 566 H ASP 69 H ASP 69 -4.936 -30.459 4.336 567 HA ASP 69 HA ASP 69 -6.675 -30.571 2.135 568 HB2 ASP 69 2HB ASP 69 -4.352 -31.397 2.099 569 HB3 ASP 69 3HB ASP 69 -4.800 -32.720 3.170 570 H SER 70 H SER 70 -6.574 -32.538 5.091 571 HA SER 70 HA SER 70 -8.673 -34.313 4.281 572 HB2 SER 70 2HB SER 70 -7.488 -33.767 7.018 573 HB3 SER 70 3HB SER 70 -8.655 -35.044 6.676 574 HG SER 70 HG SER 70 -6.500 -35.813 6.604 575 H LEU 71 H LEU 71 -8.554 -31.363 6.234 576 HA LEU 71 HA LEU 71 -11.283 -31.339 7.009 577 HB2 LEU 71 2HB LEU 71 -9.216 -29.167 6.696 578 HB3 LEU 71 3HB LEU 71 -10.867 -28.792 7.149 579 HG LEU 71 HG LEU 71 -10.645 -30.137 9.186 580 HD11 LEU 71 1HD1 LEU 71 -7.782 -30.583 8.344 581 HD12 LEU 71 2HD1 LEU 71 -9.053 -31.806 8.369 582 HD13 LEU 71 3HD1 LEU 71 -8.513 -31.070 9.875 583 HD21 LEU 71 3HD2 LEU 71 -10.058 -27.757 9.236 584 HD22 LEU 71 1HD2 LEU 71 -8.383 -28.162 8.862 585 HD23 LEU 71 2HD2 LEU 71 -9.100 -28.692 10.385 586 H GLU 72 H GLU 72 -9.593 -29.896 4.249 587 HA GLU 72 HA GLU 72 -12.024 -29.042 2.956 588 HB2 GLU 72 2HB GLU 72 -9.190 -29.267 1.899 589 HB3 GLU 72 3HB GLU 72 -10.522 -28.472 1.071 590 HG2 GLU 72 2HG GLU 72 -9.353 -27.626 3.722 591 HG3 GLU 72 3HG GLU 72 -9.016 -26.874 2.163 592 H HIS 73 H HIS 73 -12.745 -31.416 3.392 593 HA HIS 73 HA HIS 73 -11.823 -33.643 2.101 594 HB2 HIS 73 2HB HIS 73 -14.155 -34.515 2.238 595 HB3 HIS 73 3HB HIS 73 -13.602 -33.769 3.734 596 HD1 HIS 73 HD1 HIS 73 -16.393 -33.786 1.467 597 HD2 HIS 73 HD2 HIS 73 -14.616 -30.955 3.938 598 HE1 HIS 73 HE1 HIS 73 -18.122 -31.995 1.795 599 HE2 HIS 73 HE2 HIS 73 -17.060 -30.343 3.370 600 H HIS 74 H HIS 74 -11.201 -33.724 0.015 601 HA HIS 74 HA HIS 74 -13.290 -33.254 -2.008 602 HB2 HIS 74 2HB HIS 74 -11.481 -32.438 -3.574 603 HB3 HIS 74 3HB HIS 74 -11.901 -31.346 -2.264 604 HD1 HIS 74 HD1 HIS 74 -10.053 -30.583 -0.779 605 HD2 HIS 74 HD2 HIS 74 -8.913 -33.791 -3.160 606 HE1 HIS 74 HE1 HIS 74 -7.579 -30.818 -0.449 607 HE2 HIS 74 HE2 HIS 74 -6.952 -32.887 -1.727 608 H HIS 75 H HIS 75 -13.581 -34.855 -3.417 609 HA HIS 75 HA HIS 75 -12.338 -37.366 -3.034 610 HB2 HIS 75 2HB HIS 75 -14.652 -37.069 -3.883 611 HB3 HIS 75 3HB HIS 75 -14.008 -36.423 -5.387 612 HD1 HIS 75 HD1 HIS 75 -13.395 -38.091 -7.170 613 HD2 HIS 75 HD2 HIS 75 -14.070 -39.876 -3.480 614 HE1 HIS 75 HE1 HIS 75 -13.401 -40.558 -7.607 615 HE2 HIS 75 HE2 HIS 75 -13.601 -41.608 -5.339 616 H HIS 76 H HIS 76 -10.127 -37.229 -3.323 617 HA HIS 76 HA HIS 76 -9.050 -36.117 -5.802 618 HB2 HIS 76 2HB HIS 76 -6.862 -36.301 -4.712 619 HB3 HIS 76 3HB HIS 76 -8.010 -35.462 -3.678 620 HD1 HIS 76 HD1 HIS 76 -8.748 -36.674 -1.490 621 HD2 HIS 76 HD2 HIS 76 -5.915 -38.736 -3.724 622 HE1 HIS 76 HE1 HIS 76 -7.895 -38.486 0.017 623 HE2 HIS 76 HE2 HIS 76 -6.113 -39.654 -1.317 624 H HIS 77 H HIS 77 -9.633 -39.230 -4.364 625 HA HIS 77 HA HIS 77 -7.969 -40.532 -6.426 626 HB2 HIS 77 2HB HIS 77 -7.499 -41.088 -4.027 627 HB3 HIS 77 3HB HIS 77 -9.117 -41.769 -3.909 628 HD1 HIS 77 HD1 HIS 77 -5.821 -42.335 -5.664 629 HD2 HIS 77 HD2 HIS 77 -9.348 -44.369 -4.818 630 HE1 HIS 77 HE1 HIS 77 -5.407 -44.713 -6.348 631 HE2 HIS 77 HE2 HIS 77 -7.472 -45.955 -5.635 632 H HIS 78 H HIS 78 -9.034 -41.285 -8.157 633 HA HIS 78 HA HIS 78 -11.907 -41.503 -8.151 634 HB2 HIS 78 2HB HIS 78 -11.511 -42.340 -10.562 635 HB3 HIS 78 3HB HIS 78 -11.108 -40.675 -10.172 636 HD1 HIS 78 HD1 HIS 78 -9.213 -44.000 -10.257 637 HD2 HIS 78 HD2 HIS 78 -8.713 -39.976 -11.167 638 HE1 HIS 78 HE1 HIS 78 -6.920 -43.816 -11.257 639 HE2 HIS 78 HE2 HIS 78 -6.646 -41.382 -11.822 Start of MODEL 2 1 H1 MET 1 1H MET 1 9.186 -6.296 -2.187 2 H2 MET 1 2H MET 1 10.651 -5.548 -2.570 3 H3 MET 1 3H MET 1 9.774 -5.045 -1.213 4 HA MET 1 HA MET 1 11.040 -7.693 -1.591 5 HB2 MET 1 2HB MET 1 11.792 -5.340 0.149 6 HB3 MET 1 3HB MET 1 12.474 -6.949 0.341 7 HG2 MET 1 2HG MET 1 13.372 -6.825 -1.939 8 HG3 MET 1 3HG MET 1 12.707 -5.199 -2.099 9 HE1 MET 1 3HE MET 1 15.143 -7.452 0.035 10 HE2 MET 1 1HE MET 1 14.225 -6.586 1.266 11 HE3 MET 1 2HE MET 1 15.940 -6.243 1.041 12 H ALA 2 H ALA 2 10.552 -9.267 -0.134 13 HA ALA 2 HA ALA 2 8.533 -8.680 1.923 14 HB1 ALA 2 3HB ALA 2 8.253 -11.102 2.071 15 HB2 ALA 2 1HB ALA 2 9.586 -11.341 0.940 16 HB3 ALA 2 2HB ALA 2 8.099 -10.560 0.400 17 H GLN 3 H GLN 3 8.932 -8.934 4.123 18 HA GLN 3 HA GLN 3 11.728 -9.559 4.870 19 HB2 GLN 3 2HB GLN 3 11.150 -7.149 5.116 20 HB3 GLN 3 3HB GLN 3 9.886 -7.592 6.256 21 HG2 GLN 3 2HG GLN 3 11.584 -8.551 7.751 22 HG3 GLN 3 3HG GLN 3 12.842 -8.080 6.613 23 HE21 GLN 3 1HE2 GLN 3 12.482 -7.301 9.386 24 HE22 GLN 3 2HE2 GLN 3 12.382 -5.575 9.388 25 H ILE 4 H ILE 4 11.993 -11.223 6.211 26 HA ILE 4 HA ILE 4 9.760 -12.721 7.161 27 HB ILE 4 HB ILE 4 12.696 -13.074 7.815 28 HG12 ILE 4 2HG1 ILE 4 12.270 -13.171 5.396 29 HG13 ILE 4 3HG1 ILE 4 12.693 -14.760 6.023 30 HG21 ILE 4 1HG2 ILE 4 11.266 -14.250 9.404 31 HG22 ILE 4 2HG2 ILE 4 12.094 -15.395 8.349 32 HG23 ILE 4 3HG2 ILE 4 10.394 -15.014 8.075 33 HD11 ILE 4 3HD1 ILE 4 9.928 -13.789 5.325 34 HD12 ILE 4 1HD1 ILE 4 10.308 -15.369 6.014 35 HD13 ILE 4 2HD1 ILE 4 10.912 -14.936 4.416 36 H ILE 5 H ILE 5 8.620 -11.375 8.609 37 HA ILE 5 HA ILE 5 9.924 -10.717 11.159 38 HB ILE 5 HB ILE 5 7.137 -10.041 10.174 39 HG12 ILE 5 2HG1 ILE 5 8.946 -8.887 8.915 40 HG13 ILE 5 3HG1 ILE 5 7.970 -7.767 9.861 41 HG21 ILE 5 1HG2 ILE 5 7.194 -10.169 12.602 42 HG22 ILE 5 2HG2 ILE 5 7.046 -8.489 12.086 43 HG23 ILE 5 3HG2 ILE 5 8.601 -9.103 12.649 44 HD11 ILE 5 3HD1 ILE 5 10.697 -8.807 10.599 45 HD12 ILE 5 1HD1 ILE 5 9.715 -7.711 11.572 46 HD13 ILE 5 2HD1 ILE 5 10.311 -7.195 9.995 47 H PHE 6 H PHE 6 10.125 -12.703 12.167 48 HA PHE 6 HA PHE 6 9.568 -14.582 13.327 49 HB2 PHE 6 2HB PHE 6 7.008 -13.025 13.774 50 HB3 PHE 6 3HB PHE 6 7.495 -14.446 14.693 51 HD1 PHE 6 HD2 PHE 6 9.350 -14.332 16.278 52 HD2 PHE 6 HD1 PHE 6 8.063 -10.882 14.140 53 HE1 PHE 6 HE2 PHE 6 10.619 -12.903 17.828 54 HE2 PHE 6 HE1 PHE 6 9.327 -9.447 15.688 55 HZ PHE 6 HZ PHE 6 10.609 -10.456 17.532 56 H ASN 7 H ASN 7 8.869 -14.447 10.455 57 HA ASN 7 HA ASN 7 6.393 -15.787 9.991 58 HB2 ASN 7 2HB ASN 7 7.457 -14.382 8.287 59 HB3 ASN 7 3HB ASN 7 8.836 -15.471 8.224 60 HD21 ASN 7 1HD2 ASN 7 5.435 -16.397 8.408 61 HD22 ASN 7 2HD2 ASN 7 5.398 -17.158 6.860 62 H GLU 8 H GLU 8 9.702 -16.860 10.499 63 HA GLU 8 HA GLU 8 9.191 -19.577 9.694 64 HB2 GLU 8 2HB GLU 8 11.537 -18.293 11.099 65 HB3 GLU 8 3HB GLU 8 11.476 -19.999 10.672 66 HG2 GLU 8 2HG GLU 8 11.315 -19.438 8.321 67 HG3 GLU 8 3HG GLU 8 11.274 -17.718 8.714 68 H GLU 9 H GLU 9 7.453 -20.228 10.974 69 HA GLU 9 HA GLU 9 7.756 -20.306 13.874 70 HB2 GLU 9 2HB GLU 9 5.584 -19.700 12.839 71 HB3 GLU 9 3HB GLU 9 5.495 -21.297 12.113 72 HG2 GLU 9 2HG GLU 9 4.088 -21.304 14.020 73 HG3 GLU 9 3HG GLU 9 5.509 -22.267 14.413 74 H TRP 10 H TRP 10 9.533 -21.754 14.015 75 HA TRP 10 HA TRP 10 9.168 -24.514 13.105 76 HB2 TRP 10 2HB TRP 10 11.524 -23.162 14.451 77 HB3 TRP 10 3HB TRP 10 11.504 -24.839 13.924 78 HD1 TRP 10 HD1 TRP 10 11.906 -21.293 12.625 79 HE1 TRP 10 HE1 TRP 10 12.683 -21.372 10.170 80 HE3 TRP 10 HE3 TRP 10 11.302 -26.295 11.755 81 HZ2 TRP 10 HZ2 TRP 10 12.986 -23.299 8.139 82 HZ3 TRP 10 HZ3 TRP 10 11.857 -27.175 9.526 83 HH2 TRP 10 HH2 TRP 10 12.681 -25.706 7.754 84 H MET 11 H MET 11 9.087 -26.305 14.504 85 HA MET 11 HA MET 11 9.291 -25.994 17.369 86 HB2 MET 11 2HB MET 11 7.000 -26.573 17.914 87 HB3 MET 11 3HB MET 11 7.024 -25.118 16.927 88 HG2 MET 11 2HG MET 11 6.581 -26.645 14.938 89 HG3 MET 11 3HG MET 11 6.223 -27.899 16.125 90 HE1 MET 11 3HE MET 11 5.518 -24.039 16.386 91 HE2 MET 11 1HE MET 11 3.900 -23.951 15.688 92 HE3 MET 11 2HE MET 11 5.269 -24.429 14.685 93 H VAL 12 H VAL 12 9.064 -28.028 18.537 94 HA VAL 12 HA VAL 12 9.911 -30.323 16.971 95 HB VAL 12 HB VAL 12 10.194 -31.470 19.121 96 HG11 VAL 12 1HG1 VAL 12 11.276 -28.645 19.151 97 HG12 VAL 12 2HG1 VAL 12 12.006 -30.029 18.337 98 HG13 VAL 12 3HG1 VAL 12 11.907 -29.994 20.098 99 HG21 VAL 12 3HG2 VAL 12 8.254 -30.559 20.313 100 HG22 VAL 12 1HG2 VAL 12 9.021 -28.970 20.360 101 HG23 VAL 12 2HG2 VAL 12 9.732 -30.319 21.246 102 H GLU 13 H GLU 13 8.898 -32.506 17.369 103 HA GLU 13 HA GLU 13 6.299 -32.598 16.422 104 HB2 GLU 13 2HB GLU 13 7.825 -34.481 16.247 105 HB3 GLU 13 3HB GLU 13 7.822 -34.691 17.993 106 HG2 GLU 13 2HG GLU 13 5.433 -35.271 17.906 107 HG3 GLU 13 3HG GLU 13 5.465 -35.090 16.152 108 H LYS 14 H LYS 14 7.371 -33.003 19.797 109 HA LYS 14 HA LYS 14 4.865 -33.569 20.924 110 HB2 LYS 14 2HB LYS 14 7.169 -33.856 21.972 111 HB3 LYS 14 3HB LYS 14 7.133 -32.134 22.322 112 HG2 LYS 14 2HG LYS 14 4.875 -33.843 23.270 113 HG3 LYS 14 3HG LYS 14 6.418 -33.908 24.122 114 HD2 LYS 14 2HD LYS 14 4.861 -31.374 23.585 115 HD3 LYS 14 3HD LYS 14 4.794 -32.285 25.095 116 HE2 LYS 14 2HE LYS 14 7.227 -31.937 25.377 117 HE3 LYS 14 3HE LYS 14 7.245 -30.973 23.899 118 HZ1 LYS 14 3HZ LYS 14 5.720 -29.412 24.961 119 HZ2 LYS 14 1HZ LYS 14 7.148 -29.570 25.851 120 HZ3 LYS 14 2HZ LYS 14 5.735 -30.333 26.375 121 H ALA 15 H ALA 15 6.368 -30.501 20.108 122 HA ALA 15 HA ALA 15 4.330 -28.918 21.442 123 HB1 ALA 15 3HB ALA 15 6.617 -28.079 21.330 124 HB2 ALA 15 1HB ALA 15 5.517 -26.989 20.486 125 HB3 ALA 15 2HB ALA 15 6.552 -28.085 19.568 126 H LEU 16 H LEU 16 5.067 -30.035 18.202 127 HA LEU 16 HA LEU 16 3.399 -28.372 16.697 128 HB2 LEU 16 2HB LEU 16 5.202 -29.918 15.861 129 HB3 LEU 16 3HB LEU 16 4.106 -31.258 16.113 130 HG LEU 16 HG LEU 16 4.370 -30.389 13.728 131 HD11 LEU 16 1HD1 LEU 16 2.035 -30.748 13.165 132 HD12 LEU 16 2HD1 LEU 16 1.574 -30.523 14.853 133 HD13 LEU 16 3HD1 LEU 16 2.570 -31.902 14.387 134 HD21 LEU 16 3HD2 LEU 16 4.298 -28.006 14.217 135 HD22 LEU 16 1HD2 LEU 16 2.640 -28.159 14.803 136 HD23 LEU 16 2HD2 LEU 16 3.006 -28.455 13.104 137 H MET 17 H MET 17 2.718 -31.629 18.016 138 HA MET 17 HA MET 17 0.063 -31.819 17.155 139 HB2 MET 17 2HB MET 17 -0.234 -33.537 18.865 140 HB3 MET 17 3HB MET 17 1.318 -33.728 18.064 141 HG2 MET 17 2HG MET 17 2.433 -32.668 19.969 142 HG3 MET 17 3HG MET 17 0.874 -32.481 20.769 143 HE1 MET 17 3HE MET 17 2.103 -35.576 18.615 144 HE2 MET 17 1HE MET 17 2.834 -36.569 19.875 145 HE3 MET 17 2HE MET 17 3.556 -35.019 19.446 146 H VAL 18 H VAL 18 1.408 -30.200 19.979 147 HA VAL 18 HA VAL 18 -1.086 -29.794 21.312 148 HB VAL 18 HB VAL 18 1.552 -28.353 21.702 149 HG11 VAL 18 1HG1 VAL 18 -0.887 -28.489 23.488 150 HG12 VAL 18 2HG1 VAL 18 -0.295 -27.066 22.632 151 HG13 VAL 18 3HG1 VAL 18 0.664 -27.774 23.931 152 HG21 VAL 18 3HG2 VAL 18 1.730 -30.774 22.041 153 HG22 VAL 18 1HG2 VAL 18 0.381 -30.722 23.176 154 HG23 VAL 18 2HG2 VAL 18 1.894 -29.903 23.565 155 H ARG 19 H ARG 19 0.747 -27.924 18.940 156 HA ARG 19 HA ARG 19 -0.986 -25.601 19.251 157 HB2 ARG 19 2HB ARG 19 1.170 -26.115 17.189 158 HB3 ARG 19 3HB ARG 19 0.332 -24.593 17.443 159 HG2 ARG 19 2HG ARG 19 1.280 -24.655 19.819 160 HG3 ARG 19 3HG ARG 19 2.337 -25.943 19.233 161 HD2 ARG 19 2HD ARG 19 2.988 -24.332 17.362 162 HD3 ARG 19 3HD ARG 19 2.185 -23.080 18.304 163 HE ARG 19 HE ARG 19 4.071 -24.415 19.923 164 HH11 ARG 19 1HH1 ARG 19 3.839 -22.162 17.341 165 HH12 ARG 19 2HH1 ARG 19 5.413 -21.499 17.613 166 HH21 ARG 19 1HH2 ARG 19 6.108 -23.542 20.285 167 HH22 ARG 19 2HH2 ARG 19 6.681 -22.270 19.262 168 H THR 20 H THR 20 -0.714 -28.349 17.066 169 HA THR 20 HA THR 20 -2.526 -27.131 15.105 170 HB THR 20 HB THR 20 -2.107 -29.149 13.741 171 HG1 THR 20 HG1 THR 20 -0.036 -30.112 15.248 172 HG21 THR 20 3HG2 THR 20 0.293 -28.773 13.309 173 HG22 THR 20 1HG2 THR 20 0.411 -27.856 14.811 174 HG23 THR 20 2HG2 THR 20 -0.587 -27.255 13.488 175 H GLY 21 H GLY 21 -2.575 -29.646 17.553 176 HA2 GLY 21 2HA GLY 21 -4.551 -30.500 18.528 177 HA3 GLY 21 3HA GLY 21 -5.456 -29.977 17.119 178 H LEU 22 H LEU 22 -2.714 -31.519 16.034 179 HA LEU 22 HA LEU 22 -4.132 -33.946 15.357 180 HB2 LEU 22 2HB LEU 22 -1.426 -32.829 14.712 181 HB3 LEU 22 3HB LEU 22 -1.728 -34.536 14.452 182 HG LEU 22 HG LEU 22 -3.560 -33.984 12.897 183 HD11 LEU 22 1HD1 LEU 22 -2.739 -31.110 13.317 184 HD12 LEU 22 2HD1 LEU 22 -4.255 -31.843 13.840 185 HD13 LEU 22 3HD1 LEU 22 -3.896 -31.698 12.120 186 HD21 LEU 22 3HD2 LEU 22 -0.936 -32.636 12.251 187 HD22 LEU 22 1HD2 LEU 22 -2.162 -33.124 11.078 188 HD23 LEU 22 2HD2 LEU 22 -1.318 -34.345 12.030 189 H GLY 23 H GLY 23 -3.432 -36.085 15.876 190 HA2 GLY 23 2HA GLY 23 -2.282 -36.289 18.563 191 HA3 GLY 23 3HA GLY 23 -3.155 -37.551 17.709 192 H ALA 24 H ALA 24 -0.810 -38.119 19.037 193 HA ALA 24 HA ALA 24 1.594 -37.955 17.688 194 HB1 ALA 24 3HB ALA 24 0.605 -40.304 19.309 195 HB2 ALA 24 1HB ALA 24 1.351 -38.845 19.963 196 HB3 ALA 24 2HB ALA 24 2.288 -39.931 18.937 197 H ARG 25 H ARG 25 -0.908 -40.475 17.295 198 HA ARG 25 HA ARG 25 0.535 -42.030 15.422 199 HB2 ARG 25 2HB ARG 25 -2.437 -41.873 15.958 200 HB3 ARG 25 3HB ARG 25 -1.685 -43.074 14.916 201 HG2 ARG 25 2HG ARG 25 -1.186 -42.716 17.873 202 HG3 ARG 25 3HG ARG 25 -2.134 -44.000 17.115 203 HD2 ARG 25 2HD ARG 25 -0.117 -44.776 15.939 204 HD3 ARG 25 3HD ARG 25 0.824 -43.505 16.721 205 HE ARG 25 HE ARG 25 -0.566 -45.339 18.486 206 HH11 ARG 25 1HH1 ARG 25 2.391 -44.465 16.934 207 HH12 ARG 25 2HH1 ARG 25 3.347 -45.447 17.991 208 HH21 ARG 25 1HH2 ARG 25 0.689 -46.598 19.822 209 HH22 ARG 25 2HH2 ARG 25 2.404 -46.625 19.599 210 H GLN 26 H GLN 26 -1.487 -39.217 15.049 211 HA GLN 26 HA GLN 26 -1.843 -39.336 12.230 212 HB2 GLN 26 2HB GLN 26 -1.806 -36.992 14.146 213 HB3 GLN 26 3HB GLN 26 -2.243 -36.858 12.449 214 HG2 GLN 26 2HG GLN 26 -3.681 -38.715 14.320 215 HG3 GLN 26 3HG GLN 26 -4.127 -37.019 14.149 216 HE21 GLN 26 1HE2 GLN 26 -5.041 -36.311 12.236 217 HE22 GLN 26 2HE2 GLN 26 -5.679 -37.391 11.055 218 H ILE 27 H ILE 27 0.449 -37.461 14.220 219 HA ILE 27 HA ILE 27 1.826 -36.257 12.097 220 HB ILE 27 HB ILE 27 2.921 -36.885 14.848 221 HG12 ILE 27 2HG1 ILE 27 1.420 -34.454 13.828 222 HG13 ILE 27 3HG1 ILE 27 0.809 -35.635 14.982 223 HG21 ILE 27 1HG2 ILE 27 3.757 -34.797 12.826 224 HG22 ILE 27 2HG2 ILE 27 4.660 -36.255 13.241 225 HG23 ILE 27 3HG2 ILE 27 4.429 -34.991 14.447 226 HD11 ILE 27 3HD1 ILE 27 1.514 -33.601 16.093 227 HD12 ILE 27 1HD1 ILE 27 3.134 -33.771 15.419 228 HD13 ILE 27 2HD1 ILE 27 2.532 -34.958 16.578 229 H GLU 28 H GLU 28 2.747 -39.166 13.992 230 HA GLU 28 HA GLU 28 5.179 -39.701 12.769 231 HB2 GLU 28 2HB GLU 28 4.882 -42.046 13.485 232 HB3 GLU 28 3HB GLU 28 4.468 -40.904 14.756 233 HG2 GLU 28 2HG GLU 28 2.110 -41.217 14.322 234 HG3 GLU 28 3HG GLU 28 2.474 -42.284 12.970 235 H SER 29 H SER 29 1.931 -40.639 11.676 236 HA SER 29 HA SER 29 2.829 -42.241 9.494 237 HB2 SER 29 2HB SER 29 0.551 -42.465 10.426 238 HB3 SER 29 3HB SER 29 0.155 -40.848 9.848 239 HG SER 29 HG SER 29 0.926 -41.894 7.705 240 H TYR 30 H TYR 30 1.792 -38.848 9.741 241 HA TYR 30 HA TYR 30 2.019 -38.263 6.970 242 HB2 TYR 30 2HB TYR 30 2.126 -36.422 9.375 243 HB3 TYR 30 3HB TYR 30 1.988 -35.880 7.706 244 HD1 TYR 30 HD2 TYR 30 0.057 -38.100 6.802 245 HD2 TYR 30 HD1 TYR 30 0.058 -35.505 10.179 246 HE1 TYR 30 HE2 TYR 30 -2.391 -38.261 6.924 247 HE2 TYR 30 HE1 TYR 30 -2.392 -35.666 10.303 248 HH TYR 30 HH TYR 30 -4.292 -36.175 8.588 249 H ARG 31 H ARG 31 4.336 -38.328 9.583 250 HA ARG 31 HA ARG 31 6.428 -36.839 8.480 251 HB2 ARG 31 2HB ARG 31 6.380 -39.178 10.379 252 HB3 ARG 31 3HB ARG 31 7.895 -38.432 9.889 253 HG2 ARG 31 2HG ARG 31 7.231 -36.325 10.847 254 HG3 ARG 31 3HG ARG 31 5.620 -36.951 11.205 255 HD2 ARG 31 2HD ARG 31 7.156 -36.873 13.175 256 HD3 ARG 31 3HD ARG 31 6.498 -38.471 12.835 257 HE ARG 31 HE ARG 31 8.891 -38.449 11.530 258 HH11 ARG 31 1HH1 ARG 31 7.933 -37.824 14.786 259 HH12 ARG 31 2HH1 ARG 31 9.408 -38.443 15.447 260 HH21 ARG 31 1HH2 ARG 31 10.760 -39.232 12.388 261 HH22 ARG 31 2HH2 ARG 31 10.986 -39.241 14.103 262 H GLN 32 H GLN 32 5.286 -40.017 7.634 263 HA GLN 32 HA GLN 32 7.729 -40.623 6.125 264 HB2 GLN 32 2HB GLN 32 5.290 -42.344 6.620 265 HB3 GLN 32 3HB GLN 32 6.791 -42.868 5.869 266 HG2 GLN 32 2HG GLN 32 7.980 -42.400 7.975 267 HG3 GLN 32 3HG GLN 32 6.448 -41.950 8.721 268 HE21 GLN 32 1HE2 GLN 32 8.302 -44.052 9.452 269 HE22 GLN 32 2HE2 GLN 32 7.419 -45.539 9.376 270 H GLY 33 H GLY 33 5.277 -38.729 5.375 271 HA2 GLY 33 2HA GLY 33 5.266 -39.552 2.556 272 HA3 GLY 33 3HA GLY 33 3.714 -39.480 3.366 273 H ALA 34 H ALA 34 3.760 -37.183 4.779 274 HA ALA 34 HA ALA 34 3.548 -35.249 2.629 275 HB1 ALA 34 3HB ALA 34 2.383 -33.866 4.236 276 HB2 ALA 34 1HB ALA 34 2.855 -34.944 5.550 277 HB3 ALA 34 2HB ALA 34 1.757 -35.514 4.293 278 H TRP 35 H TRP 35 5.764 -35.920 5.197 279 HA TRP 35 HA TRP 35 6.811 -33.284 5.508 280 HB2 TRP 35 2HB TRP 35 7.592 -36.015 6.432 281 HB3 TRP 35 3HB TRP 35 8.796 -34.738 6.514 282 HD1 TRP 35 HD1 TRP 35 8.873 -34.640 9.123 283 HE1 TRP 35 HE1 TRP 35 7.245 -33.801 10.923 284 HE3 TRP 35 HE3 TRP 35 4.629 -34.167 6.279 285 HZ2 TRP 35 HZ2 TRP 35 4.557 -33.037 11.127 286 HZ3 TRP 35 HZ3 TRP 35 2.577 -33.368 7.365 287 HH2 TRP 35 HH2 TRP 35 2.538 -32.815 9.743 288 H ILE 36 H ILE 36 8.585 -32.320 4.654 289 HA ILE 36 HA ILE 36 10.095 -33.679 2.517 290 HB ILE 36 HB ILE 36 8.925 -30.886 2.299 291 HG12 ILE 36 2HG1 ILE 36 8.199 -33.406 0.769 292 HG13 ILE 36 3HG1 ILE 36 7.223 -32.670 2.035 293 HG21 ILE 36 1HG2 ILE 36 11.094 -31.061 1.206 294 HG22 ILE 36 2HG2 ILE 36 9.811 -30.922 0.004 295 HG23 ILE 36 3HG2 ILE 36 10.554 -32.490 0.322 296 HD11 ILE 36 3HD1 ILE 36 6.947 -30.671 0.657 297 HD12 ILE 36 1HD1 ILE 36 6.363 -32.120 -0.159 298 HD13 ILE 36 2HD1 ILE 36 7.915 -31.419 -0.615 299 H GLU 37 H GLU 37 12.255 -33.409 2.780 300 HA GLU 37 HA GLU 37 13.356 -32.090 4.981 301 HB2 GLU 37 2HB GLU 37 15.541 -32.514 3.998 302 HB3 GLU 37 3HB GLU 37 14.501 -33.915 3.787 303 HG2 GLU 37 2HG GLU 37 14.134 -33.359 1.470 304 HG3 GLU 37 3HG GLU 37 15.033 -31.853 1.651 305 H GLY 38 H GLY 38 14.199 -30.102 5.352 306 HA2 GLY 38 2HA GLY 38 14.852 -27.915 4.997 307 HA3 GLY 38 3HA GLY 38 14.799 -28.214 3.268 308 H VAL 39 H VAL 39 12.270 -28.761 2.683 309 HA VAL 39 HA VAL 39 11.042 -26.213 2.735 310 HB VAL 39 HB VAL 39 9.803 -28.851 1.916 311 HG11 VAL 39 1HG1 VAL 39 8.154 -27.068 2.185 312 HG12 VAL 39 2HG1 VAL 39 8.361 -27.476 0.482 313 HG13 VAL 39 3HG1 VAL 39 9.101 -26.014 1.135 314 HG21 VAL 39 3HG2 VAL 39 10.557 -28.324 -0.349 315 HG22 VAL 39 1HG2 VAL 39 11.925 -28.464 0.756 316 HG23 VAL 39 2HG2 VAL 39 11.362 -26.872 0.246 317 H HIS 40 H HIS 40 10.183 -29.262 4.402 318 HA HIS 40 HA HIS 40 8.183 -27.743 5.964 319 HB2 HIS 40 2HB HIS 40 8.264 -30.681 5.257 320 HB3 HIS 40 3HB HIS 40 7.166 -30.009 6.454 321 HD1 HIS 40 HD1 HIS 40 7.409 -27.585 3.786 322 HD2 HIS 40 HD2 HIS 40 5.319 -31.132 4.394 323 HE1 HIS 40 HE1 HIS 40 5.550 -27.574 2.102 324 HE2 HIS 40 HE2 HIS 40 4.242 -29.671 2.555 325 H PHE 41 H PHE 41 11.160 -29.498 6.271 326 HA PHE 41 HA PHE 41 11.205 -28.903 9.101 327 HB2 PHE 41 2HB PHE 41 11.551 -31.142 9.925 328 HB3 PHE 41 3HB PHE 41 10.039 -31.100 9.033 329 HD1 PHE 41 HD2 PHE 41 13.506 -32.334 9.026 330 HD2 PHE 41 HD1 PHE 41 9.753 -32.377 7.008 331 HE1 PHE 41 HE2 PHE 41 14.244 -34.267 7.697 332 HE2 PHE 41 HE1 PHE 41 10.492 -34.309 5.678 333 HZ PHE 41 HZ PHE 41 12.740 -35.258 6.020 334 H LYS 42 H LYS 42 13.304 -29.339 10.127 335 HA LYS 42 HA LYS 42 15.556 -29.931 8.354 336 HB2 LYS 42 2HB LYS 42 16.763 -27.877 8.900 337 HB3 LYS 42 3HB LYS 42 15.234 -27.493 8.117 338 HG2 LYS 42 2HG LYS 42 14.238 -26.919 10.249 339 HG3 LYS 42 3HG LYS 42 15.704 -27.404 11.099 340 HD2 LYS 42 2HD LYS 42 15.532 -25.153 9.083 341 HD3 LYS 42 3HD LYS 42 15.497 -24.947 10.836 342 HE2 LYS 42 2HE LYS 42 17.730 -26.077 10.931 343 HE3 LYS 42 3HE LYS 42 17.764 -26.037 9.168 344 HZ1 LYS 42 3HZ LYS 42 17.662 -23.644 9.236 345 HZ2 LYS 42 1HZ LYS 42 18.963 -24.178 10.175 346 HZ3 LYS 42 2HZ LYS 42 17.543 -23.649 10.922 347 H ARG 43 H ARG 43 17.477 -30.516 9.461 348 HA ARG 43 HA ARG 43 17.086 -31.316 12.249 349 HB2 ARG 43 2HB ARG 43 19.454 -31.832 10.435 350 HB3 ARG 43 3HB ARG 43 19.133 -32.597 11.986 351 HG2 ARG 43 2HG ARG 43 17.137 -33.668 11.053 352 HG3 ARG 43 3HG ARG 43 17.450 -32.889 9.500 353 HD2 ARG 43 2HD ARG 43 19.169 -34.938 10.896 354 HD3 ARG 43 3HD ARG 43 18.257 -35.149 9.401 355 HE ARG 43 HE ARG 43 20.177 -33.035 9.226 356 HH11 ARG 43 1HH1 ARG 43 19.760 -36.437 8.978 357 HH12 ARG 43 2HH1 ARG 43 21.164 -36.645 7.992 358 HH21 ARG 43 1HH2 ARG 43 21.976 -33.311 7.976 359 HH22 ARG 43 2HH2 ARG 43 22.409 -34.895 7.431 360 H VAL 44 H VAL 44 17.847 -30.159 13.925 361 HA VAL 44 HA VAL 44 19.961 -28.150 13.411 362 HB VAL 44 HB VAL 44 17.632 -27.917 15.333 363 HG11 VAL 44 1HG1 VAL 44 19.594 -26.839 16.257 364 HG12 VAL 44 2HG1 VAL 44 18.448 -25.616 15.714 365 HG13 VAL 44 3HG1 VAL 44 19.875 -25.978 14.742 366 HG21 VAL 44 3HG2 VAL 44 16.932 -27.617 13.023 367 HG22 VAL 44 1HG2 VAL 44 18.217 -26.439 12.762 368 HG23 VAL 44 2HG2 VAL 44 16.898 -26.072 13.873 369 H SER 45 H SER 45 21.803 -28.641 14.428 370 HA SER 45 HA SER 45 21.821 -30.259 16.859 371 HB2 SER 45 2HB SER 45 23.509 -30.736 15.140 372 HB3 SER 45 3HB SER 45 24.117 -29.085 15.258 373 HG SER 45 HG SER 45 25.380 -29.875 16.738 374 HA PRO 46 HA PRO 46 21.724 -26.733 19.557 375 HB2 PRO 46 2HB PRO 46 23.128 -28.458 21.518 376 HB3 PRO 46 3HB PRO 46 21.557 -27.658 21.641 377 HG2 PRO 46 2HG PRO 46 21.744 -30.309 21.296 378 HG3 PRO 46 3HG PRO 46 20.454 -29.365 20.526 379 HD2 PRO 46 2HD PRO 46 22.989 -30.443 19.334 380 HD3 PRO 46 3HD PRO 46 21.351 -30.397 18.646 381 H SER 47 H SER 47 24.687 -28.424 20.612 382 HA SER 47 HA SER 47 26.211 -25.954 20.013 383 HB2 SER 47 2HB SER 47 25.928 -26.275 22.427 384 HB3 SER 47 3HB SER 47 26.614 -27.896 22.308 385 HG SER 47 HG SER 47 27.862 -25.467 22.424 386 H GLY 48 H GLY 48 27.136 -26.513 18.084 387 HA2 GLY 48 2HA GLY 48 28.909 -27.360 16.836 388 HA3 GLY 48 3HA GLY 48 29.313 -28.423 18.173 389 H GLU 49 H GLU 49 28.755 -28.701 15.099 390 HA GLU 49 HA GLU 49 26.559 -30.575 15.024 391 HB2 GLU 49 2HB GLU 49 28.616 -29.861 12.918 392 HB3 GLU 49 3HB GLU 49 27.210 -30.887 12.648 393 HG2 GLU 49 2HG GLU 49 25.763 -28.965 13.328 394 HG3 GLU 49 3HG GLU 49 27.211 -27.962 13.386 395 H LYS 50 H LYS 50 29.354 -30.989 16.462 396 HA LYS 50 HA LYS 50 30.127 -33.598 15.473 397 HB2 LYS 50 2HB LYS 50 30.898 -32.225 18.063 398 HB3 LYS 50 3HB LYS 50 31.696 -33.617 17.343 399 HG2 LYS 50 2HG LYS 50 32.432 -32.263 15.469 400 HG3 LYS 50 3HG LYS 50 31.562 -30.869 16.110 401 HD2 LYS 50 2HD LYS 50 33.904 -32.280 17.405 402 HD3 LYS 50 3HD LYS 50 33.928 -30.688 16.645 403 HE2 LYS 50 2HE LYS 50 32.296 -29.902 18.339 404 HE3 LYS 50 3HE LYS 50 32.388 -31.478 19.124 405 HZ1 LYS 50 3HZ LYS 50 33.819 -29.980 20.260 406 HZ2 LYS 50 1HZ LYS 50 34.576 -29.498 18.824 407 HZ3 LYS 50 2HZ LYS 50 34.799 -31.066 19.413 408 H THR 51 H THR 51 27.515 -32.572 17.210 409 HA THR 51 HA THR 51 27.487 -34.523 19.337 410 HB THR 51 HB THR 51 25.330 -33.653 19.943 411 HG1 THR 51 HG1 THR 51 24.985 -31.769 18.014 412 HG21 THR 51 3HG2 THR 51 25.810 -31.262 20.192 413 HG22 THR 51 1HG2 THR 51 27.089 -31.387 18.984 414 HG23 THR 51 2HG2 THR 51 27.244 -32.235 20.522 415 H LEU 52 H LEU 52 25.657 -36.027 19.653 416 HA LEU 52 HA LEU 52 24.845 -37.328 17.139 417 HB2 LEU 52 2HB LEU 52 24.880 -38.331 19.993 418 HB3 LEU 52 3HB LEU 52 24.215 -39.241 18.653 419 HG LEU 52 HG LEU 52 26.393 -40.104 19.120 420 HD11 LEU 52 1HD1 LEU 52 26.529 -38.379 16.651 421 HD12 LEU 52 2HD1 LEU 52 25.809 -39.985 16.767 422 HD13 LEU 52 3HD1 LEU 52 27.544 -39.777 16.995 423 HD21 LEU 52 3HD2 LEU 52 28.428 -38.738 19.052 424 HD22 LEU 52 1HD2 LEU 52 27.336 -38.214 20.332 425 HD23 LEU 52 2HD2 LEU 52 27.450 -37.287 18.837 426 H ARG 53 H ARG 53 23.658 -35.013 19.044 427 HA ARG 53 HA ARG 53 20.887 -36.016 19.088 428 HB2 ARG 53 2HB ARG 53 22.105 -33.671 20.578 429 HB3 ARG 53 3HB ARG 53 20.430 -34.191 20.694 430 HG2 ARG 53 2HG ARG 53 22.847 -35.794 21.540 431 HG3 ARG 53 3HG ARG 53 21.721 -34.958 22.613 432 HD2 ARG 53 2HD ARG 53 19.894 -36.394 21.738 433 HD3 ARG 53 3HD ARG 53 21.083 -37.271 20.773 434 HE ARG 53 HE ARG 53 21.622 -37.187 23.616 435 HH11 ARG 53 1HH1 ARG 53 20.202 -38.941 21.007 436 HH12 ARG 53 2HH1 ARG 53 20.155 -40.427 21.892 437 HH21 ARG 53 1HH2 ARG 53 21.533 -39.092 24.744 438 HH22 ARG 53 2HH2 ARG 53 20.897 -40.513 23.980 439 H GLY 54 H GLY 54 20.590 -35.633 16.805 440 HA2 GLY 54 2HA GLY 54 20.652 -32.850 15.888 441 HA3 GLY 54 3HA GLY 54 20.348 -34.264 14.893 442 H THR 55 H THR 55 18.904 -32.122 17.312 443 HA THR 55 HA THR 55 16.283 -33.175 17.230 444 HB THR 55 HB THR 55 17.166 -30.357 17.904 445 HG1 THR 55 HG1 THR 55 17.657 -31.140 19.822 446 HG21 THR 55 3HG2 THR 55 14.785 -30.377 17.455 447 HG22 THR 55 1HG2 THR 55 15.044 -30.252 19.195 448 HG23 THR 55 2HG2 THR 55 14.568 -31.795 18.484 449 H THR 56 H THR 56 14.884 -33.184 15.584 450 HA THR 56 HA THR 56 15.233 -31.340 13.344 451 HB THR 56 HB THR 56 13.382 -33.728 13.647 452 HG1 THR 56 HG1 THR 56 14.893 -34.820 12.476 453 HG21 THR 56 3HG2 THR 56 13.074 -33.529 11.199 454 HG22 THR 56 1HG2 THR 56 13.983 -32.018 11.225 455 HG23 THR 56 2HG2 THR 56 12.437 -32.133 12.070 456 H TRP 57 H TRP 57 14.038 -29.569 13.072 457 HA TRP 57 HA TRP 57 11.612 -29.189 14.700 458 HB2 TRP 57 2HB TRP 57 13.352 -27.165 13.260 459 HB3 TRP 57 3HB TRP 57 11.921 -26.774 14.208 460 HD1 TRP 57 HD1 TRP 57 15.359 -28.509 14.781 461 HE1 TRP 57 HE1 TRP 57 16.152 -27.926 17.156 462 HE3 TRP 57 HE3 TRP 57 11.311 -25.804 16.353 463 HZ2 TRP 57 HZ2 TRP 57 15.196 -26.509 19.399 464 HZ3 TRP 57 HZ3 TRP 57 11.332 -24.871 18.630 465 HH2 TRP 57 HH2 TRP 57 13.236 -25.218 20.119 466 H TYR 58 H TYR 58 9.684 -28.410 13.762 467 HA TYR 58 HA TYR 58 9.427 -28.957 10.869 468 HB2 TYR 58 2HB TYR 58 7.291 -29.254 13.003 469 HB3 TYR 58 3HB TYR 58 7.154 -29.713 11.309 470 HD1 TYR 58 HD2 TYR 58 9.058 -31.408 10.506 471 HD2 TYR 58 HD1 TYR 58 7.759 -30.952 14.533 472 HE1 TYR 58 HE2 TYR 58 9.914 -33.650 11.026 473 HE2 TYR 58 HE1 TYR 58 8.620 -33.195 15.062 474 HH TYR 58 HH TYR 58 10.691 -34.909 13.005 475 H ASN 59 H ASN 59 8.065 -27.646 9.609 476 HA ASN 59 HA ASN 59 7.717 -24.911 10.555 477 HB2 ASN 59 2HB ASN 59 7.550 -26.248 7.866 478 HB3 ASN 59 3HB ASN 59 6.890 -24.633 8.094 479 HD21 ASN 59 1HD2 ASN 59 9.158 -25.574 6.472 480 HD22 ASN 59 2HD2 ASN 59 10.510 -24.647 7.004 481 H TYR 60 H TYR 60 5.893 -24.361 11.594 482 HA TYR 60 HA TYR 60 3.467 -25.775 11.505 483 HB2 TYR 60 2HB TYR 60 3.996 -24.294 13.362 484 HB3 TYR 60 3HB TYR 60 3.947 -22.894 12.298 485 HD1 TYR 60 HD1 TYR 60 1.857 -25.585 13.784 486 HD2 TYR 60 HD2 TYR 60 1.886 -21.800 11.824 487 HE1 TYR 60 HE1 TYR 60 -0.548 -25.338 14.231 488 HE2 TYR 60 HE2 TYR 60 -0.521 -21.547 12.270 489 HH TYR 60 HH TYR 60 -2.472 -22.975 12.728 490 HA PRO 61 HA PRO 61 1.835 -22.259 8.438 491 HB2 PRO 61 2HB PRO 61 3.817 -21.422 6.679 492 HB3 PRO 61 3HB PRO 61 3.254 -20.505 8.080 493 HG2 PRO 61 2HG PRO 61 5.653 -22.281 7.816 494 HG3 PRO 61 3HG PRO 61 5.506 -20.707 8.623 495 HD2 PRO 61 2HD PRO 61 5.523 -22.974 10.037 496 HD3 PRO 61 3HD PRO 61 4.459 -21.627 10.496 497 H GLU 62 H GLU 62 4.475 -24.435 7.549 498 HA GLU 62 HA GLU 62 3.415 -25.151 4.990 499 HB2 GLU 62 2HB GLU 62 5.457 -26.527 6.751 500 HB3 GLU 62 3HB GLU 62 5.106 -26.978 5.087 501 HG2 GLU 62 2HG GLU 62 6.105 -24.259 5.922 502 HG3 GLU 62 3HG GLU 62 7.144 -25.576 5.377 503 H ILE 63 H ILE 63 3.495 -26.812 8.151 504 HA ILE 63 HA ILE 63 1.945 -29.040 7.366 505 HB ILE 63 HB ILE 63 2.264 -27.813 10.120 506 HG12 ILE 63 2HG1 ILE 63 3.717 -30.121 8.788 507 HG13 ILE 63 3HG1 ILE 63 4.383 -28.511 9.042 508 HG21 ILE 63 1HG2 ILE 63 0.290 -29.261 10.031 509 HG22 ILE 63 2HG2 ILE 63 1.567 -30.001 10.993 510 HG23 ILE 63 3HG2 ILE 63 1.264 -30.567 9.351 511 HD11 ILE 63 3HD1 ILE 63 4.242 -28.836 11.456 512 HD12 ILE 63 1HD1 ILE 63 5.219 -30.086 10.683 513 HD13 ILE 63 2HD1 ILE 63 3.573 -30.449 11.201 514 H ASN 64 H ASN 64 1.050 -25.827 8.490 515 HA ASN 64 HA ASN 64 -1.687 -26.194 8.944 516 HB2 ASN 64 2HB ASN 64 -0.478 -24.120 9.519 517 HB3 ASN 64 3HB ASN 64 -0.275 -23.760 7.807 518 HD21 ASN 64 1HD2 ASN 64 -2.041 -23.046 6.618 519 HD22 ASN 64 2HD2 ASN 64 -3.500 -22.511 7.372 520 H LYS 65 H LYS 65 0.063 -25.432 5.937 521 HA LYS 65 HA LYS 65 -2.138 -25.387 4.189 522 HB2 LYS 65 2HB LYS 65 0.025 -24.608 3.445 523 HB3 LYS 65 3HB LYS 65 0.746 -26.184 3.729 524 HG2 LYS 65 2HG LYS 65 0.396 -25.773 1.352 525 HG3 LYS 65 3HG LYS 65 -0.562 -27.145 1.916 526 HD2 LYS 65 2HD LYS 65 -2.534 -25.649 2.082 527 HD3 LYS 65 3HD LYS 65 -1.556 -24.329 1.436 528 HE2 LYS 65 2HE LYS 65 -1.179 -25.649 -0.614 529 HE3 LYS 65 3HE LYS 65 -2.222 -26.918 0.026 530 HZ1 LYS 65 3HZ LYS 65 -3.452 -25.526 -1.470 531 HZ2 LYS 65 1HZ LYS 65 -3.020 -24.135 -0.611 532 HZ3 LYS 65 2HZ LYS 65 -4.032 -25.284 0.101 533 H PHE 66 H PHE 66 -0.066 -28.082 5.257 534 HA PHE 66 HA PHE 66 -1.320 -30.087 3.740 535 HB2 PHE 66 2HB PHE 66 0.836 -30.486 4.782 536 HB3 PHE 66 3HB PHE 66 0.126 -30.322 6.387 537 HD1 PHE 66 HD2 PHE 66 -0.239 -32.334 3.264 538 HD2 PHE 66 HD1 PHE 66 -0.556 -32.234 7.509 539 HE1 PHE 66 HE2 PHE 66 -0.774 -34.733 3.276 540 HE2 PHE 66 HE1 PHE 66 -1.084 -34.634 7.525 541 HZ PHE 66 HZ PHE 66 -1.193 -35.889 5.410 542 H ILE 67 H ILE 67 -2.179 -28.709 6.892 543 HA ILE 67 HA ILE 67 -4.124 -30.533 7.703 544 HB ILE 67 HB ILE 67 -4.120 -27.522 8.044 545 HG12 ILE 67 2HG1 ILE 67 -3.256 -29.757 9.913 546 HG13 ILE 67 3HG1 ILE 67 -2.181 -28.661 9.054 547 HG21 ILE 67 1HG2 ILE 67 -5.807 -29.592 9.461 548 HG22 ILE 67 2HG2 ILE 67 -6.382 -28.364 8.334 549 HG23 ILE 67 3HG2 ILE 67 -5.709 -27.884 9.890 550 HD11 ILE 67 3HD1 ILE 67 -3.106 -26.778 10.324 551 HD12 ILE 67 1HD1 ILE 67 -2.402 -28.010 11.371 552 HD13 ILE 67 2HD1 ILE 67 -4.153 -27.898 11.197 553 H ARG 68 H ARG 68 -4.371 -27.889 5.358 554 HA ARG 68 HA ARG 68 -7.136 -28.056 4.825 555 HB2 ARG 68 2HB ARG 68 -5.603 -26.218 4.075 556 HB3 ARG 68 3HB ARG 68 -4.924 -27.318 2.885 557 HG2 ARG 68 2HG ARG 68 -6.479 -25.957 1.741 558 HG3 ARG 68 3HG ARG 68 -7.243 -27.538 1.920 559 HD2 ARG 68 2HD ARG 68 -8.836 -25.747 2.404 560 HD3 ARG 68 3HD ARG 68 -8.516 -26.706 3.851 561 HE ARG 68 HE ARG 68 -6.749 -24.661 4.058 562 HH11 ARG 68 1HH1 ARG 68 -10.156 -24.773 3.570 563 HH12 ARG 68 2HH1 ARG 68 -10.428 -23.271 4.379 564 HH21 ARG 68 1HH2 ARG 68 -7.108 -22.730 5.078 565 HH22 ARG 68 2HH2 ARG 68 -8.721 -22.122 5.225 566 H ASP 69 H ASP 69 -4.406 -29.933 3.692 567 HA ASP 69 HA ASP 69 -5.850 -31.327 1.621 568 HB2 ASP 69 2HB ASP 69 -3.421 -30.842 1.497 569 HB3 ASP 69 3HB ASP 69 -3.150 -31.914 2.865 570 H SER 70 H SER 70 -4.730 -32.067 4.902 571 HA SER 70 HA SER 70 -5.717 -34.744 4.990 572 HB2 SER 70 2HB SER 70 -3.953 -33.951 6.527 573 HB3 SER 70 3HB SER 70 -5.097 -32.839 7.274 574 HG SER 70 HG SER 70 -6.198 -34.544 8.140 575 H LEU 71 H LEU 71 -7.142 -31.629 5.469 576 HA LEU 71 HA LEU 71 -9.514 -32.335 6.821 577 HB2 LEU 71 2HB LEU 71 -8.544 -30.012 6.268 578 HB3 LEU 71 3HB LEU 71 -9.282 -30.196 4.694 579 HG LEU 71 HG LEU 71 -10.594 -28.787 6.265 580 HD11 LEU 71 1HD1 LEU 71 -11.727 -29.901 4.414 581 HD12 LEU 71 2HD1 LEU 71 -12.773 -29.775 5.828 582 HD13 LEU 71 3HD1 LEU 71 -12.012 -31.315 5.431 583 HD21 LEU 71 3HD2 LEU 71 -10.066 -29.921 8.345 584 HD22 LEU 71 1HD2 LEU 71 -10.949 -31.354 7.814 585 HD23 LEU 71 2HD2 LEU 71 -11.812 -29.844 8.109 586 H GLU 72 H GLU 72 -8.660 -32.295 3.381 587 HA GLU 72 HA GLU 72 -11.213 -33.193 2.445 588 HB2 GLU 72 2HB GLU 72 -9.168 -31.963 1.236 589 HB3 GLU 72 3HB GLU 72 -8.721 -33.613 0.841 590 HG2 GLU 72 2HG GLU 72 -11.348 -32.292 0.170 591 HG3 GLU 72 3HG GLU 72 -10.004 -32.540 -0.941 592 H HIS 73 H HIS 73 -11.866 -35.300 1.903 593 HA HIS 73 HA HIS 73 -10.085 -37.469 2.830 594 HB2 HIS 73 2HB HIS 73 -13.035 -37.164 3.442 595 HB3 HIS 73 3HB HIS 73 -12.059 -38.570 3.855 596 HD1 HIS 73 HD1 HIS 73 -13.360 -35.659 5.371 597 HD2 HIS 73 HD2 HIS 73 -9.704 -37.621 5.557 598 HE1 HIS 73 HE1 HIS 73 -12.302 -34.900 7.513 599 HE2 HIS 73 HE2 HIS 73 -10.216 -36.290 7.713 600 H HIS 74 H HIS 74 -9.654 -38.748 1.132 601 HA HIS 74 HA HIS 74 -11.930 -39.779 -0.426 602 HB2 HIS 74 2HB HIS 74 -9.521 -38.412 -1.461 603 HB3 HIS 74 3HB HIS 74 -9.928 -39.912 -2.289 604 HD1 HIS 74 HD1 HIS 74 -11.485 -36.559 -1.427 605 HD2 HIS 74 HD2 HIS 74 -11.979 -39.707 -4.094 606 HE1 HIS 74 HE1 HIS 74 -13.255 -35.808 -3.036 607 HE2 HIS 74 HE2 HIS 74 -13.630 -37.775 -4.550 608 H HIS 75 H HIS 75 -10.208 -40.764 1.868 609 HA HIS 75 HA HIS 75 -10.138 -43.489 0.965 610 HB2 HIS 75 2HB HIS 75 -7.764 -43.932 1.503 611 HB3 HIS 75 3HB HIS 75 -7.938 -42.821 0.154 612 HD1 HIS 75 HD1 HIS 75 -5.663 -43.253 2.621 613 HD2 HIS 75 HD2 HIS 75 -8.025 -39.977 1.648 614 HE1 HIS 75 HE1 HIS 75 -4.503 -41.265 3.621 615 HE2 HIS 75 HE2 HIS 75 -5.844 -39.283 2.842 616 H HIS 76 H HIS 76 -11.375 -44.253 2.587 617 HA HIS 76 HA HIS 76 -11.100 -43.164 5.274 618 HB2 HIS 76 2HB HIS 76 -13.331 -43.495 4.186 619 HB3 HIS 76 3HB HIS 76 -13.070 -45.233 4.272 620 HD1 HIS 76 HD1 HIS 76 -13.413 -42.241 6.581 621 HD2 HIS 76 HD2 HIS 76 -13.864 -46.371 6.627 622 HE1 HIS 76 HE1 HIS 76 -14.383 -42.786 8.828 623 HE2 HIS 76 HE2 HIS 76 -14.457 -45.298 8.904 624 H HIS 77 H HIS 77 -9.601 -45.656 3.675 625 HA HIS 77 HA HIS 77 -9.077 -47.037 6.238 626 HB2 HIS 77 2HB HIS 77 -9.270 -48.246 3.471 627 HB3 HIS 77 3HB HIS 77 -8.603 -49.100 4.860 628 HD1 HIS 77 HD1 HIS 77 -10.987 -47.665 6.705 629 HD2 HIS 77 HD2 HIS 77 -11.346 -50.210 3.440 630 HE1 HIS 77 HE1 HIS 77 -13.259 -48.700 6.902 631 HE2 HIS 77 HE2 HIS 77 -13.349 -50.397 5.061 632 H HIS 78 H HIS 78 -7.607 -46.809 2.977 633 HA HIS 78 HA HIS 78 -5.274 -45.471 3.908 634 HB2 HIS 78 2HB HIS 78 -4.858 -47.774 4.821 635 HB3 HIS 78 3HB HIS 78 -4.857 -48.382 3.169 636 HD1 HIS 78 HD1 HIS 78 -2.665 -48.280 1.938 637 HD2 HIS 78 HD2 HIS 78 -2.655 -45.938 5.371 638 HE1 HIS 78 HE1 HIS 78 -0.299 -47.491 2.208 639 HE2 HIS 78 HE2 HIS 78 -0.280 -46.252 4.393 Start of MODEL 3 1 H1 MET 1 1H MET 1 15.908 -9.846 5.225 2 H2 MET 1 2H MET 1 17.411 -9.195 5.623 3 H3 MET 1 3H MET 1 16.282 -8.255 4.789 4 HA MET 1 HA MET 1 16.087 -9.245 7.579 5 HB2 MET 1 2HB MET 1 16.310 -6.447 6.440 6 HB3 MET 1 3HB MET 1 16.035 -6.817 8.135 7 HG2 MET 1 2HG MET 1 18.195 -7.956 8.244 8 HG3 MET 1 3HG MET 1 18.471 -7.596 6.540 9 HE1 MET 1 3HE MET 1 16.751 -5.242 9.179 10 HE2 MET 1 1HE MET 1 18.128 -4.323 9.787 11 HE3 MET 1 2HE MET 1 17.991 -6.046 10.141 12 H ALA 2 H ALA 2 14.427 -7.299 5.062 13 HA ALA 2 HA ALA 2 11.905 -7.607 6.543 14 HB1 ALA 2 3HB ALA 2 12.528 -5.867 4.158 15 HB2 ALA 2 1HB ALA 2 12.509 -5.342 5.843 16 HB3 ALA 2 2HB ALA 2 11.018 -5.881 5.069 17 H GLN 3 H GLN 3 11.158 -9.639 6.081 18 HA GLN 3 HA GLN 3 10.556 -10.240 3.245 19 HB2 GLN 3 2HB GLN 3 12.384 -11.673 3.942 20 HB3 GLN 3 3HB GLN 3 11.509 -12.148 5.391 21 HG2 GLN 3 2HG GLN 3 9.817 -13.261 3.992 22 HG3 GLN 3 3HG GLN 3 10.728 -12.806 2.553 23 HE21 GLN 3 1HE2 GLN 3 12.295 -13.791 5.515 24 HE22 GLN 3 2HE2 GLN 3 12.867 -15.308 4.925 25 H ILE 4 H ILE 4 8.576 -11.258 2.811 26 HA ILE 4 HA ILE 4 6.462 -10.790 4.662 27 HB ILE 4 HB ILE 4 6.417 -12.433 2.118 28 HG12 ILE 4 2HG1 ILE 4 7.117 -10.110 1.718 29 HG13 ILE 4 3HG1 ILE 4 5.508 -10.400 1.065 30 HG21 ILE 4 1HG2 ILE 4 3.992 -12.063 2.146 31 HG22 ILE 4 2HG2 ILE 4 4.130 -11.235 3.696 32 HG23 ILE 4 3HG2 ILE 4 4.520 -12.951 3.575 33 HD11 ILE 4 3HD1 ILE 4 4.524 -9.280 3.001 34 HD12 ILE 4 1HD1 ILE 4 5.651 -8.229 2.143 35 HD13 ILE 4 2HD1 ILE 4 6.136 -8.995 3.657 36 H ILE 5 H ILE 5 7.052 -11.955 6.531 37 HA ILE 5 HA ILE 5 6.950 -14.886 6.411 38 HB ILE 5 HB ILE 5 7.556 -13.048 8.745 39 HG12 ILE 5 2HG1 ILE 5 9.299 -12.988 6.999 40 HG13 ILE 5 3HG1 ILE 5 9.887 -13.766 8.464 41 HG21 ILE 5 1HG2 ILE 5 6.624 -15.122 9.558 42 HG22 ILE 5 2HG2 ILE 5 8.360 -15.117 9.866 43 HG23 ILE 5 3HG2 ILE 5 7.705 -16.060 8.526 44 HD11 ILE 5 3HD1 ILE 5 8.977 -15.176 5.964 45 HD12 ILE 5 1HD1 ILE 5 9.571 -15.956 7.431 46 HD13 ILE 5 2HD1 ILE 5 10.646 -14.933 6.478 47 H PHE 6 H PHE 6 5.185 -16.006 6.987 48 HA PHE 6 HA PHE 6 2.820 -14.563 7.902 49 HB2 PHE 6 2HB PHE 6 3.134 -17.480 7.142 50 HB3 PHE 6 3HB PHE 6 1.614 -16.631 7.400 51 HD1 PHE 6 HD2 PHE 6 0.802 -14.996 5.759 52 HD2 PHE 6 HD1 PHE 6 4.385 -17.211 5.095 53 HE1 PHE 6 HE2 PHE 6 0.743 -14.380 3.377 54 HE2 PHE 6 HE1 PHE 6 4.328 -16.592 2.715 55 HZ PHE 6 HZ PHE 6 2.503 -15.176 1.853 56 H ASN 7 H ASN 7 4.231 -17.704 8.808 57 HA ASN 7 HA ASN 7 4.744 -17.053 11.495 58 HB2 ASN 7 2HB ASN 7 3.011 -18.447 12.612 59 HB3 ASN 7 3HB ASN 7 2.335 -17.036 11.805 60 HD21 ASN 7 1HD2 ASN 7 1.119 -17.336 9.915 61 HD22 ASN 7 2HD2 ASN 7 0.444 -18.871 9.511 62 H GLU 8 H GLU 8 5.973 -18.643 12.488 63 HA GLU 8 HA GLU 8 6.100 -21.294 11.246 64 HB2 GLU 8 2HB GLU 8 8.604 -21.223 11.297 65 HB3 GLU 8 3HB GLU 8 7.873 -20.151 10.114 66 HG2 GLU 8 2HG GLU 8 8.219 -18.250 11.632 67 HG3 GLU 8 3HG GLU 8 8.981 -19.334 12.796 68 H GLU 9 H GLU 9 5.346 -22.419 12.938 69 HA GLU 9 HA GLU 9 6.439 -21.903 15.610 70 HB2 GLU 9 2HB GLU 9 4.065 -23.584 14.780 71 HB3 GLU 9 3HB GLU 9 4.567 -23.273 16.437 72 HG2 GLU 9 2HG GLU 9 3.569 -21.229 14.452 73 HG3 GLU 9 3HG GLU 9 2.685 -21.869 15.835 74 H TRP 10 H TRP 10 8.448 -22.894 15.380 75 HA TRP 10 HA TRP 10 8.674 -25.686 14.682 76 HB2 TRP 10 2HB TRP 10 10.715 -23.807 15.911 77 HB3 TRP 10 3HB TRP 10 11.055 -25.407 15.261 78 HD1 TRP 10 HD1 TRP 10 10.493 -21.803 14.192 79 HE1 TRP 10 HE1 TRP 10 10.956 -21.588 11.669 80 HE3 TRP 10 HE3 TRP 10 10.916 -26.767 13.027 81 HZ2 TRP 10 HZ2 TRP 10 11.429 -23.305 9.471 82 HZ3 TRP 10 HZ3 TRP 10 11.374 -27.395 10.689 83 HH2 TRP 10 HH2 TRP 10 11.626 -25.700 8.951 84 H MET 11 H MET 11 8.279 -27.327 16.040 85 HA MET 11 HA MET 11 8.774 -26.982 18.912 86 HB2 MET 11 2HB MET 11 6.563 -27.968 19.453 87 HB3 MET 11 3HB MET 11 6.441 -26.406 18.656 88 HG2 MET 11 2HG MET 11 6.027 -27.608 16.509 89 HG3 MET 11 3HG MET 11 5.981 -29.114 17.427 90 HE1 MET 11 3HE MET 11 2.951 -25.665 17.897 91 HE2 MET 11 1HE MET 11 4.267 -25.681 16.722 92 HE3 MET 11 2HE MET 11 4.622 -25.541 18.444 93 H VAL 12 H VAL 12 9.033 -28.931 20.094 94 HA VAL 12 HA VAL 12 10.145 -31.112 18.602 95 HB VAL 12 HB VAL 12 10.516 -32.185 20.786 96 HG11 VAL 12 1HG1 VAL 12 11.225 -29.247 20.768 97 HG12 VAL 12 2HG1 VAL 12 12.137 -30.540 19.989 98 HG13 VAL 12 3HG1 VAL 12 12.006 -30.488 21.747 99 HG21 VAL 12 3HG2 VAL 12 8.463 -31.527 21.925 100 HG22 VAL 12 1HG2 VAL 12 8.977 -29.838 21.915 101 HG23 VAL 12 2HG2 VAL 12 9.869 -31.025 22.865 102 H GLU 13 H GLU 13 9.494 -33.427 19.121 103 HA GLU 13 HA GLU 13 7.017 -33.998 18.038 104 HB2 GLU 13 2HB GLU 13 8.857 -35.600 18.119 105 HB3 GLU 13 3HB GLU 13 8.707 -35.721 19.866 106 HG2 GLU 13 2HG GLU 13 6.434 -36.670 19.563 107 HG3 GLU 13 3HG GLU 13 6.684 -36.632 17.816 108 H LYS 14 H LYS 14 7.888 -33.941 21.491 109 HA LYS 14 HA LYS 14 5.466 -34.874 22.549 110 HB2 LYS 14 2HB LYS 14 7.685 -34.526 23.760 111 HB3 LYS 14 3HB LYS 14 7.254 -32.828 23.878 112 HG2 LYS 14 2HG LYS 14 5.413 -34.943 24.940 113 HG3 LYS 14 3HG LYS 14 6.792 -34.385 25.886 114 HD2 LYS 14 2HD LYS 14 4.676 -32.552 24.757 115 HD3 LYS 14 3HD LYS 14 4.623 -33.219 26.390 116 HE2 LYS 14 2HE LYS 14 6.740 -32.120 26.910 117 HE3 LYS 14 3HE LYS 14 6.831 -31.487 25.266 118 HZ1 LYS 14 3HZ LYS 14 4.846 -30.202 25.668 119 HZ2 LYS 14 1HZ LYS 14 5.998 -29.848 26.855 120 HZ3 LYS 14 2HZ LYS 14 4.686 -30.853 27.219 121 H ALA 15 H ALA 15 6.512 -31.491 22.033 122 HA ALA 15 HA ALA 15 4.061 -30.334 22.879 123 HB1 ALA 15 3HB ALA 15 4.901 -28.264 21.877 124 HB2 ALA 15 1HB ALA 15 6.182 -29.169 21.070 125 HB3 ALA 15 2HB ALA 15 6.152 -29.064 22.830 126 H LEU 16 H LEU 16 5.269 -31.385 19.743 127 HA LEU 16 HA LEU 16 3.361 -30.169 18.090 128 HB2 LEU 16 2HB LEU 16 5.529 -31.194 17.378 129 HB3 LEU 16 3HB LEU 16 4.819 -32.777 17.610 130 HG LEU 16 HG LEU 16 4.961 -31.874 15.220 131 HD11 LEU 16 1HD1 LEU 16 2.849 -32.872 14.558 132 HD12 LEU 16 2HD1 LEU 16 2.256 -32.768 16.215 133 HD13 LEU 16 3HD1 LEU 16 3.611 -33.828 15.829 134 HD21 LEU 16 3HD2 LEU 16 3.128 -30.407 14.512 135 HD22 LEU 16 1HD2 LEU 16 4.200 -29.605 15.661 136 HD23 LEU 16 2HD2 LEU 16 2.631 -30.215 16.191 137 H MET 17 H MET 17 3.378 -33.461 19.504 138 HA MET 17 HA MET 17 0.971 -34.320 18.347 139 HB2 MET 17 2HB MET 17 0.924 -36.063 20.036 140 HB3 MET 17 3HB MET 17 2.562 -35.843 19.447 141 HG2 MET 17 2HG MET 17 3.144 -34.606 21.449 142 HG3 MET 17 3HG MET 17 1.487 -34.745 22.038 143 HE1 MET 17 3HE MET 17 4.399 -38.301 21.558 144 HE2 MET 17 1HE MET 17 4.825 -36.620 21.232 145 HE3 MET 17 2HE MET 17 3.691 -37.466 20.178 146 H VAL 18 H VAL 18 1.544 -32.370 21.207 147 HA VAL 18 HA VAL 18 -1.145 -32.460 22.188 148 HB VAL 18 HB VAL 18 1.015 -30.409 22.743 149 HG11 VAL 18 1HG1 VAL 18 -0.241 -29.974 24.820 150 HG12 VAL 18 2HG1 VAL 18 -1.504 -31.074 24.272 151 HG13 VAL 18 3HG1 VAL 18 -1.182 -29.588 23.379 152 HG21 VAL 18 3HG2 VAL 18 1.780 -32.661 23.299 153 HG22 VAL 18 1HG2 VAL 18 0.319 -32.940 24.247 154 HG23 VAL 18 2HG2 VAL 18 1.488 -31.727 24.766 155 H ARG 19 H ARG 19 0.654 -30.296 20.054 156 HA ARG 19 HA ARG 19 -1.424 -28.316 19.887 157 HB2 ARG 19 2HB ARG 19 1.002 -28.756 18.127 158 HB3 ARG 19 3HB ARG 19 -0.031 -27.332 18.099 159 HG2 ARG 19 2HG ARG 19 1.581 -28.245 20.483 160 HG3 ARG 19 3HG ARG 19 2.074 -26.990 19.346 161 HD2 ARG 19 2HD ARG 19 0.172 -25.626 19.967 162 HD3 ARG 19 3HD ARG 19 -0.441 -26.905 21.017 163 HE ARG 19 HE ARG 19 2.046 -26.403 21.985 164 HH11 ARG 19 1HH1 ARG 19 -0.664 -24.393 21.304 165 HH12 ARG 19 2HH1 ARG 19 -0.331 -23.320 22.618 166 HH21 ARG 19 1HH2 ARG 19 2.464 -25.000 23.656 167 HH22 ARG 19 2HH2 ARG 19 1.424 -23.646 23.913 168 H THR 20 H THR 20 -0.667 -31.232 18.134 169 HA THR 20 HA THR 20 -2.546 -30.555 15.975 170 HB THR 20 HB THR 20 -1.749 -32.653 14.904 171 HG1 THR 20 HG1 THR 20 0.405 -32.848 16.665 172 HG21 THR 20 3HG2 THR 20 0.513 -31.870 14.358 173 HG22 THR 20 1HG2 THR 20 0.457 -30.750 15.719 174 HG23 THR 20 2HG2 THR 20 -0.645 -30.541 14.357 175 H GLY 21 H GLY 21 -2.226 -32.707 18.733 176 HA2 GLY 21 2HA GLY 21 -4.020 -33.801 19.808 177 HA3 GLY 21 3HA GLY 21 -4.983 -33.629 18.350 178 H LEU 22 H LEU 22 -1.921 -34.755 17.558 179 HA LEU 22 HA LEU 22 -2.945 -37.424 17.024 180 HB2 LEU 22 2HB LEU 22 -0.454 -35.936 16.238 181 HB3 LEU 22 3HB LEU 22 -0.553 -37.672 16.016 182 HG LEU 22 HG LEU 22 -2.466 -37.402 14.516 183 HD11 LEU 22 1HD1 LEU 22 -3.171 -35.187 13.751 184 HD12 LEU 22 2HD1 LEU 22 -2.107 -34.437 14.941 185 HD13 LEU 22 3HD1 LEU 22 -3.478 -35.409 15.472 186 HD21 LEU 22 3HD2 LEU 22 -0.131 -35.637 13.772 187 HD22 LEU 22 1HD2 LEU 22 -1.294 -36.344 12.648 188 HD23 LEU 22 2HD2 LEU 22 -0.218 -37.387 13.575 189 H GLY 23 H GLY 23 -1.720 -39.376 17.559 190 HA2 GLY 23 2HA GLY 23 -0.393 -39.196 20.182 191 HA3 GLY 23 3HA GLY 23 -1.063 -40.656 19.467 192 H ALA 24 H ALA 24 1.568 -40.407 20.579 193 HA ALA 24 HA ALA 24 3.635 -39.876 18.839 194 HB1 ALA 24 3HB ALA 24 3.561 -42.117 20.860 195 HB2 ALA 24 1HB ALA 24 3.942 -40.431 21.209 196 HB3 ALA 24 2HB ALA 24 5.008 -41.381 20.171 197 H ARG 25 H ARG 25 1.836 -42.948 19.112 198 HA ARG 25 HA ARG 25 3.413 -44.383 17.252 199 HB2 ARG 25 2HB ARG 25 1.774 -46.094 17.328 200 HB3 ARG 25 3HB ARG 25 1.818 -45.387 18.934 201 HG2 ARG 25 2HG ARG 25 -0.252 -44.734 16.835 202 HG3 ARG 25 3HG ARG 25 -0.462 -45.925 18.118 203 HD2 ARG 25 2HD ARG 25 -0.037 -42.953 18.466 204 HD3 ARG 25 3HD ARG 25 -1.537 -43.841 18.726 205 HE ARG 25 HE ARG 25 0.708 -44.710 20.335 206 HH11 ARG 25 1HH1 ARG 25 -2.134 -42.761 20.176 207 HH12 ARG 25 2HH1 ARG 25 -2.203 -42.553 21.893 208 HH21 ARG 25 1HH2 ARG 25 0.583 -44.435 22.519 209 HH22 ARG 25 2HH2 ARG 25 -0.690 -43.476 23.196 210 H GLN 26 H GLN 26 0.946 -42.025 16.785 211 HA GLN 26 HA GLN 26 0.386 -42.787 14.041 212 HB2 GLN 26 2HB GLN 26 -1.291 -41.701 15.620 213 HB3 GLN 26 3HB GLN 26 -0.387 -40.204 15.412 214 HG2 GLN 26 2HG GLN 26 -0.795 -40.352 12.968 215 HG3 GLN 26 3HG GLN 26 -1.795 -41.774 13.257 216 HE21 GLN 26 1HE2 GLN 26 -2.590 -39.281 12.071 217 HE22 GLN 26 2HE2 GLN 26 -3.831 -38.620 13.076 218 H ILE 27 H ILE 27 2.074 -40.152 15.736 219 HA ILE 27 HA ILE 27 2.923 -38.734 13.461 220 HB ILE 27 HB ILE 27 4.383 -38.922 16.113 221 HG12 ILE 27 2HG1 ILE 27 2.237 -36.978 15.200 222 HG13 ILE 27 3HG1 ILE 27 2.033 -38.243 16.409 223 HG21 ILE 27 1HG2 ILE 27 5.758 -37.953 14.344 224 HG22 ILE 27 2HG2 ILE 27 5.294 -36.719 15.514 225 HG23 ILE 27 3HG2 ILE 27 4.476 -36.806 13.953 226 HD11 ILE 27 3HD1 ILE 27 2.307 -36.083 17.455 227 HD12 ILE 27 1HD1 ILE 27 3.850 -35.849 16.633 228 HD13 ILE 27 2HD1 ILE 27 3.674 -37.127 17.839 229 H GLU 28 H GLU 28 4.638 -41.249 15.359 230 HA GLU 28 HA GLU 28 6.991 -41.277 13.862 231 HB2 GLU 28 2HB GLU 28 7.464 -43.428 14.812 232 HB3 GLU 28 3HB GLU 28 6.690 -42.431 16.035 233 HG2 GLU 28 2HG GLU 28 4.629 -43.604 15.802 234 HG3 GLU 28 3HG GLU 28 5.215 -44.470 14.381 235 H SER 29 H SER 29 3.907 -42.778 13.183 236 HA SER 29 HA SER 29 4.674 -44.471 11.070 237 HB2 SER 29 2HB SER 29 2.451 -44.603 12.069 238 HB3 SER 29 3HB SER 29 2.071 -42.979 11.504 239 HG SER 29 HG SER 29 2.493 -45.314 9.951 240 H TYR 30 H TYR 30 3.578 -41.088 11.048 241 HA TYR 30 HA TYR 30 3.839 -40.761 8.223 242 HB2 TYR 30 2HB TYR 30 3.704 -38.643 10.387 243 HB3 TYR 30 3HB TYR 30 3.453 -38.377 8.665 244 HD1 TYR 30 HD2 TYR 30 1.791 -40.815 8.050 245 HD2 TYR 30 HD1 TYR 30 1.597 -38.028 11.265 246 HE1 TYR 30 HE2 TYR 30 -0.604 -41.296 8.316 247 HE2 TYR 30 HE1 TYR 30 -0.795 -38.512 11.544 248 HH TYR 30 HH TYR 30 -2.684 -39.381 10.090 249 H ARG 31 H ARG 31 6.009 -40.283 10.934 250 HA ARG 31 HA ARG 31 7.950 -38.661 9.714 251 HB2 ARG 31 2HB ARG 31 8.292 -40.759 11.871 252 HB3 ARG 31 3HB ARG 31 9.504 -39.558 11.445 253 HG2 ARG 31 2HG ARG 31 8.079 -37.767 12.183 254 HG3 ARG 31 3HG ARG 31 6.736 -38.879 12.439 255 HD2 ARG 31 2HD ARG 31 7.627 -38.449 14.579 256 HD3 ARG 31 3HD ARG 31 8.213 -40.050 14.144 257 HE ARG 31 HE ARG 31 9.778 -37.597 14.319 258 HH11 ARG 31 1HH1 ARG 31 9.712 -40.985 13.740 259 HH12 ARG 31 2HH1 ARG 31 11.408 -41.172 13.997 260 HH21 ARG 31 1HH2 ARG 31 11.923 -37.850 14.686 261 HH22 ARG 31 2HH2 ARG 31 12.651 -39.405 14.536 262 H GLN 32 H GLN 32 7.183 -41.958 9.131 263 HA GLN 32 HA GLN 32 9.803 -42.759 8.219 264 HB2 GLN 32 2HB GLN 32 7.130 -44.142 7.892 265 HB3 GLN 32 3HB GLN 32 8.705 -44.859 7.577 266 HG2 GLN 32 2HG GLN 32 7.798 -43.857 10.278 267 HG3 GLN 32 3HG GLN 32 7.688 -45.531 9.741 268 HE21 GLN 32 1HE2 GLN 32 9.028 -46.213 11.421 269 HE22 GLN 32 2HE2 GLN 32 10.730 -45.919 11.410 270 H GLY 33 H GLY 33 7.245 -41.018 6.771 271 HA2 GLY 33 2HA GLY 33 8.501 -41.214 4.154 272 HA3 GLY 33 3HA GLY 33 6.903 -41.930 4.238 273 H ALA 34 H ALA 34 5.519 -40.113 5.796 274 HA ALA 34 HA ALA 34 4.904 -38.134 3.857 275 HB1 ALA 34 3HB ALA 34 3.235 -37.346 5.430 276 HB2 ALA 34 1HB ALA 34 3.986 -38.272 6.731 277 HB3 ALA 34 2HB ALA 34 3.230 -39.109 5.375 278 H TRP 35 H TRP 35 6.723 -38.016 6.888 279 HA TRP 35 HA TRP 35 7.093 -35.171 6.867 280 HB2 TRP 35 2HB TRP 35 8.281 -37.446 8.425 281 HB3 TRP 35 3HB TRP 35 9.030 -35.861 8.501 282 HD1 TRP 35 HD1 TRP 35 8.471 -35.812 11.100 283 HE1 TRP 35 HE1 TRP 35 6.347 -35.190 12.397 284 HE3 TRP 35 HE3 TRP 35 5.044 -36.129 7.301 285 HZ2 TRP 35 HZ2 TRP 35 3.602 -34.872 11.896 286 HZ3 TRP 35 HZ3 TRP 35 2.692 -35.645 7.809 287 HH2 TRP 35 HH2 TRP 35 1.984 -35.030 10.058 288 H ILE 36 H ILE 36 8.102 -34.318 5.132 289 HA ILE 36 HA ILE 36 10.385 -35.605 3.890 290 HB ILE 36 HB ILE 36 9.143 -32.911 3.279 291 HG12 ILE 36 2HG1 ILE 36 8.673 -35.593 1.940 292 HG13 ILE 36 3HG1 ILE 36 7.541 -34.796 3.027 293 HG21 ILE 36 1HG2 ILE 36 10.267 -33.148 1.100 294 HG22 ILE 36 2HG2 ILE 36 11.024 -34.638 1.661 295 HG23 ILE 36 3HG2 ILE 36 11.419 -33.103 2.435 296 HD11 ILE 36 3HD1 ILE 36 7.322 -32.949 1.453 297 HD12 ILE 36 1HD1 ILE 36 6.909 -34.490 0.703 298 HD13 ILE 36 2HD1 ILE 36 8.466 -33.735 0.364 299 H GLU 37 H GLU 37 12.500 -35.044 4.107 300 HA GLU 37 HA GLU 37 13.410 -33.563 6.317 301 HB2 GLU 37 2HB GLU 37 14.936 -34.292 3.804 302 HB3 GLU 37 3HB GLU 37 15.654 -33.790 5.329 303 HG2 GLU 37 2HG GLU 37 14.638 -35.790 6.402 304 HG3 GLU 37 3HG GLU 37 14.086 -36.309 4.810 305 H GLY 38 H GLY 38 14.146 -31.497 6.580 306 HA2 GLY 38 2HA GLY 38 14.692 -29.300 6.079 307 HA3 GLY 38 3HA GLY 38 14.600 -29.696 4.372 308 H VAL 39 H VAL 39 11.984 -30.571 4.162 309 HA VAL 39 HA VAL 39 10.630 -28.071 3.981 310 HB VAL 39 HB VAL 39 9.536 -30.855 3.511 311 HG11 VAL 39 1HG1 VAL 39 7.885 -29.704 2.070 312 HG12 VAL 39 2HG1 VAL 39 8.514 -28.151 2.625 313 HG13 VAL 39 3HG1 VAL 39 7.740 -29.250 3.769 314 HG21 VAL 39 3HG2 VAL 39 10.022 -30.424 1.136 315 HG22 VAL 39 1HG2 VAL 39 11.487 -30.439 2.120 316 HG23 VAL 39 2HG2 VAL 39 10.802 -28.905 1.580 317 H HIS 40 H HIS 40 9.702 -31.069 5.746 318 HA HIS 40 HA HIS 40 7.804 -29.497 7.336 319 HB2 HIS 40 2HB HIS 40 8.272 -32.483 7.154 320 HB3 HIS 40 3HB HIS 40 7.093 -31.739 8.225 321 HD1 HIS 40 HD1 HIS 40 6.715 -29.683 5.428 322 HD2 HIS 40 HD2 HIS 40 5.734 -33.667 6.153 323 HE1 HIS 40 HE1 HIS 40 4.946 -30.263 3.750 324 HE2 HIS 40 HE2 HIS 40 4.405 -32.682 4.162 325 H PHE 41 H PHE 41 10.879 -31.099 7.700 326 HA PHE 41 HA PHE 41 11.211 -29.912 10.338 327 HB2 PHE 41 2HB PHE 41 11.795 -31.949 11.485 328 HB3 PHE 41 3HB PHE 41 10.207 -32.181 10.764 329 HD1 PHE 41 HD1 PHE 41 9.998 -33.559 8.676 330 HD2 PHE 41 HD2 PHE 41 13.623 -33.342 10.901 331 HE1 PHE 41 HE1 PHE 41 10.803 -35.602 7.569 332 HE2 PHE 41 HE2 PHE 41 14.429 -35.382 9.794 333 HZ PHE 41 HZ PHE 41 13.021 -36.514 8.126 334 H LYS 42 H LYS 42 13.469 -29.873 11.023 335 HA LYS 42 HA LYS 42 15.428 -30.846 9.085 336 HB2 LYS 42 2HB LYS 42 16.598 -28.682 8.969 337 HB3 LYS 42 3HB LYS 42 14.979 -28.607 8.289 338 HG2 LYS 42 2HG LYS 42 14.190 -27.574 10.411 339 HG3 LYS 42 3HG LYS 42 15.865 -27.543 10.973 340 HD2 LYS 42 2HD LYS 42 16.483 -26.144 9.052 341 HD3 LYS 42 3HD LYS 42 14.816 -26.183 8.481 342 HE2 LYS 42 2HE LYS 42 15.179 -24.098 9.599 343 HE3 LYS 42 3HE LYS 42 14.130 -25.086 10.612 344 HZ1 LYS 42 3HZ LYS 42 15.872 -23.948 11.868 345 HZ2 LYS 42 1HZ LYS 42 17.058 -24.780 10.992 346 HZ3 LYS 42 2HZ LYS 42 16.000 -25.628 12.002 347 H ARG 43 H ARG 43 17.719 -30.480 9.871 348 HA ARG 43 HA ARG 43 17.832 -31.631 12.526 349 HB2 ARG 43 2HB ARG 43 20.090 -31.063 10.588 350 HB3 ARG 43 3HB ARG 43 20.161 -32.114 11.999 351 HG2 ARG 43 2HG ARG 43 18.563 -33.642 10.967 352 HG3 ARG 43 3HG ARG 43 18.421 -32.571 9.573 353 HD2 ARG 43 2HD ARG 43 19.895 -34.327 8.948 354 HD3 ARG 43 3HD ARG 43 20.887 -32.892 9.194 355 HE ARG 43 HE ARG 43 20.716 -34.551 11.528 356 HH11 ARG 43 1HH1 ARG 43 22.373 -34.066 8.545 357 HH12 ARG 43 2HH1 ARG 43 23.760 -34.968 9.045 358 HH21 ARG 43 1HH2 ARG 43 22.501 -35.703 12.148 359 HH22 ARG 43 2HH2 ARG 43 23.827 -35.890 11.048 360 H VAL 44 H VAL 44 18.192 -30.520 14.330 361 HA VAL 44 HA VAL 44 19.533 -27.889 14.162 362 HB VAL 44 HB VAL 44 17.522 -28.827 16.226 363 HG11 VAL 44 1HG1 VAL 44 18.849 -26.134 15.864 364 HG12 VAL 44 2HG1 VAL 44 19.149 -27.272 17.177 365 HG13 VAL 44 3HG1 VAL 44 17.571 -26.498 17.025 366 HG21 VAL 44 3HG2 VAL 44 16.014 -27.166 15.207 367 HG22 VAL 44 1HG2 VAL 44 16.467 -28.432 14.063 368 HG23 VAL 44 2HG2 VAL 44 17.225 -26.843 13.966 369 H SER 45 H SER 45 21.522 -27.879 14.978 370 HA SER 45 HA SER 45 22.358 -29.864 16.948 371 HB2 SER 45 2HB SER 45 24.624 -28.914 16.604 372 HB3 SER 45 3HB SER 45 23.874 -29.377 15.077 373 HG SER 45 HG SER 45 24.868 -27.030 15.705 374 HA PRO 46 HA PRO 46 21.846 -26.997 20.360 375 HB2 PRO 46 2HB PRO 46 23.223 -28.328 22.263 376 HB3 PRO 46 3HB PRO 46 21.669 -28.907 21.653 377 HG2 PRO 46 2HG PRO 46 24.437 -29.801 20.921 378 HG3 PRO 46 3HG PRO 46 22.996 -30.782 21.251 379 HD2 PRO 46 2HD PRO 46 23.855 -30.190 18.726 380 HD3 PRO 46 3HD PRO 46 22.151 -30.479 19.130 381 H SER 47 H SER 47 24.213 -26.704 18.425 382 HA SER 47 HA SER 47 25.690 -24.743 19.859 383 HB2 SER 47 2HB SER 47 26.811 -26.679 20.848 384 HB3 SER 47 3HB SER 47 27.122 -27.351 19.248 385 HG SER 47 HG SER 47 28.939 -26.231 20.139 386 H GLY 48 H GLY 48 27.574 -23.914 18.494 387 HA2 GLY 48 2HA GLY 48 26.831 -23.625 15.750 388 HA3 GLY 48 3HA GLY 48 28.334 -23.075 16.481 389 H GLU 49 H GLU 49 28.705 -25.933 17.463 390 HA GLU 49 HA GLU 49 30.128 -26.936 15.156 391 HB2 GLU 49 2HB GLU 49 29.949 -27.704 18.046 392 HB3 GLU 49 3HB GLU 49 30.581 -28.871 16.892 393 HG2 GLU 49 2HG GLU 49 31.666 -26.081 17.263 394 HG3 GLU 49 3HG GLU 49 32.325 -27.528 18.029 395 H LYS 50 H LYS 50 29.965 -29.246 14.545 396 HA LYS 50 HA LYS 50 27.118 -29.866 14.130 397 HB2 LYS 50 2HB LYS 50 29.536 -30.599 12.463 398 HB3 LYS 50 3HB LYS 50 27.890 -31.099 12.111 399 HG2 LYS 50 2HG LYS 50 28.401 -29.270 10.687 400 HG3 LYS 50 3HG LYS 50 27.277 -28.682 11.911 401 HD2 LYS 50 2HD LYS 50 29.043 -27.052 11.516 402 HD3 LYS 50 3HD LYS 50 29.157 -27.693 13.152 403 HE2 LYS 50 2HE LYS 50 30.929 -29.241 12.386 404 HE3 LYS 50 3HE LYS 50 30.850 -28.505 10.787 405 HZ1 LYS 50 3HZ LYS 50 31.634 -27.147 13.315 406 HZ2 LYS 50 1HZ LYS 50 31.463 -26.378 11.819 407 HZ3 LYS 50 2HZ LYS 50 32.654 -27.557 12.031 408 H THR 51 H THR 51 27.208 -30.923 16.283 409 HA THR 51 HA THR 51 28.724 -33.321 16.654 410 HB THR 51 HB THR 51 26.218 -32.475 18.136 411 HG1 THR 51 HG1 THR 51 28.931 -31.682 18.380 412 HG21 THR 51 3HG2 THR 51 28.506 -34.278 18.955 413 HG22 THR 51 1HG2 THR 51 26.866 -34.798 18.563 414 HG23 THR 51 2HG2 THR 51 27.158 -33.799 19.987 415 H LEU 52 H LEU 52 27.867 -35.504 16.817 416 HA LEU 52 HA LEU 52 26.273 -36.228 14.584 417 HB2 LEU 52 2HB LEU 52 27.197 -37.890 16.935 418 HB3 LEU 52 3HB LEU 52 26.450 -38.545 15.493 419 HG LEU 52 HG LEU 52 28.787 -38.910 15.284 420 HD11 LEU 52 1HD1 LEU 52 28.098 -36.501 13.607 421 HD12 LEU 52 2HD1 LEU 52 27.686 -38.175 13.231 422 HD13 LEU 52 3HD1 LEU 52 29.375 -37.673 13.280 423 HD21 LEU 52 3HD2 LEU 52 29.581 -37.317 16.955 424 HD22 LEU 52 1HD2 LEU 52 29.210 -35.976 15.868 425 HD23 LEU 52 2HD2 LEU 52 30.466 -37.140 15.441 426 H ARG 53 H ARG 53 25.337 -35.151 17.626 427 HA ARG 53 HA ARG 53 22.795 -36.597 17.637 428 HB2 ARG 53 2HB ARG 53 24.024 -34.709 19.664 429 HB3 ARG 53 3HB ARG 53 22.430 -35.425 19.831 430 HG2 ARG 53 2HG ARG 53 25.051 -36.912 19.731 431 HG3 ARG 53 3HG ARG 53 24.052 -36.633 21.160 432 HD2 ARG 53 2HD ARG 53 23.367 -38.298 18.736 433 HD3 ARG 53 3HD ARG 53 23.663 -38.873 20.376 434 HE ARG 53 HE ARG 53 21.541 -37.132 20.582 435 HH11 ARG 53 1HH1 ARG 53 22.202 -40.061 18.889 436 HH12 ARG 53 2HH1 ARG 53 20.539 -40.526 18.824 437 HH21 ARG 53 1HH2 ARG 53 19.408 -37.749 20.502 438 HH22 ARG 53 2HH2 ARG 53 18.977 -39.242 19.738 439 H GLY 54 H GLY 54 21.719 -35.669 15.917 440 HA2 GLY 54 2HA GLY 54 21.336 -32.759 15.878 441 HA3 GLY 54 3HA GLY 54 20.870 -33.883 14.617 442 H THR 55 H THR 55 19.805 -32.071 17.282 443 HA THR 55 HA THR 55 17.454 -33.488 17.998 444 HB THR 55 HB THR 55 17.973 -30.498 18.127 445 HG1 THR 55 HG1 THR 55 18.213 -31.410 20.503 446 HG21 THR 55 3HG2 THR 55 15.592 -31.000 18.360 447 HG22 THR 55 1HG2 THR 55 16.263 -30.506 19.914 448 HG23 THR 55 2HG2 THR 55 15.950 -32.212 19.590 449 H THR 56 H THR 56 15.318 -33.326 17.222 450 HA THR 56 HA THR 56 15.129 -32.182 14.499 451 HB THR 56 HB THR 56 13.585 -34.533 15.619 452 HG1 THR 56 HG1 THR 56 16.066 -34.514 14.932 453 HG21 THR 56 3HG2 THR 56 13.772 -33.413 12.813 454 HG22 THR 56 1HG2 THR 56 12.357 -33.359 13.865 455 HG23 THR 56 2HG2 THR 56 12.947 -34.906 13.260 456 H TRP 57 H TRP 57 14.052 -30.304 14.581 457 HA TRP 57 HA TRP 57 11.641 -30.068 16.253 458 HB2 TRP 57 2HB TRP 57 13.304 -27.971 14.832 459 HB3 TRP 57 3HB TRP 57 11.797 -27.617 15.671 460 HD1 TRP 57 HD1 TRP 57 15.306 -29.064 16.479 461 HE1 TRP 57 HE1 TRP 57 15.896 -28.409 18.893 462 HE3 TRP 57 HE3 TRP 57 10.930 -26.772 17.796 463 HZ2 TRP 57 HZ2 TRP 57 14.675 -27.108 21.073 464 HZ3 TRP 57 HZ3 TRP 57 10.719 -25.851 20.071 465 HH2 TRP 57 HH2 TRP 57 12.554 -26.017 21.674 466 H TYR 58 H TYR 58 9.632 -29.783 15.406 467 HA TYR 58 HA TYR 58 9.360 -30.119 12.488 468 HB2 TYR 58 2HB TYR 58 7.397 -30.805 14.699 469 HB3 TYR 58 3HB TYR 58 7.169 -31.125 12.980 470 HD1 TYR 58 HD2 TYR 58 8.593 -32.803 11.837 471 HD2 TYR 58 HD1 TYR 58 8.766 -32.254 16.057 472 HE1 TYR 58 HE2 TYR 58 9.746 -34.959 12.066 473 HE2 TYR 58 HE1 TYR 58 9.935 -34.410 16.289 474 HH TYR 58 HH TYR 58 11.289 -36.035 13.649 475 H ASN 59 H ASN 59 8.175 -28.709 11.274 476 HA ASN 59 HA ASN 59 7.293 -26.238 12.551 477 HB2 ASN 59 2HB ASN 59 8.660 -26.191 10.462 478 HB3 ASN 59 3HB ASN 59 7.324 -26.955 9.605 479 HD21 ASN 59 1HD2 ASN 59 7.203 -25.148 8.216 480 HD22 ASN 59 2HD2 ASN 59 6.478 -23.671 8.739 481 H TYR 60 H TYR 60 5.309 -26.067 13.306 482 HA TYR 60 HA TYR 60 3.320 -27.956 13.122 483 HB2 TYR 60 2HB TYR 60 3.453 -26.252 14.878 484 HB3 TYR 60 3HB TYR 60 2.989 -25.009 13.726 485 HD1 TYR 60 HD1 TYR 60 1.729 -28.274 15.062 486 HD2 TYR 60 HD2 TYR 60 0.756 -24.365 13.671 487 HE1 TYR 60 HE1 TYR 60 -0.629 -28.657 15.639 488 HE2 TYR 60 HE2 TYR 60 -1.604 -24.744 14.245 489 HH TYR 60 HH TYR 60 -2.620 -27.405 16.152 490 HA PRO 61 HA PRO 61 0.857 -25.153 9.833 491 HB2 PRO 61 2HB PRO 61 3.291 -24.090 8.449 492 HB3 PRO 61 3HB PRO 61 1.701 -23.346 8.660 493 HG2 PRO 61 2HG PRO 61 3.751 -22.548 10.142 494 HG3 PRO 61 3HG PRO 61 2.137 -22.725 10.860 495 HD2 PRO 61 2HD PRO 61 4.525 -24.516 11.098 496 HD3 PRO 61 3HD PRO 61 3.302 -24.095 12.315 497 H GLU 62 H GLU 62 4.043 -26.531 9.067 498 HA GLU 62 HA GLU 62 3.387 -27.541 6.508 499 HB2 GLU 62 2HB GLU 62 5.549 -28.197 8.500 500 HB3 GLU 62 3HB GLU 62 5.413 -29.069 6.978 501 HG2 GLU 62 2HG GLU 62 5.755 -26.085 7.240 502 HG3 GLU 62 3HG GLU 62 7.047 -27.234 6.897 503 H ILE 63 H ILE 63 2.811 -28.777 9.704 504 HA ILE 63 HA ILE 63 2.164 -31.450 8.758 505 HB ILE 63 HB ILE 63 1.979 -30.215 11.513 506 HG12 ILE 63 2HG1 ILE 63 3.926 -32.189 10.273 507 HG13 ILE 63 3HG1 ILE 63 4.267 -30.507 10.656 508 HG21 ILE 63 1HG2 ILE 63 1.514 -33.081 10.667 509 HG22 ILE 63 2HG2 ILE 63 0.296 -31.968 11.288 510 HG23 ILE 63 3HG2 ILE 63 1.609 -32.511 12.333 511 HD11 ILE 63 3HD1 ILE 63 5.224 -32.030 12.287 512 HD12 ILE 63 1HD1 ILE 63 3.616 -32.655 12.653 513 HD13 ILE 63 2HD1 ILE 63 4.013 -30.975 13.014 514 H ASN 64 H ASN 64 0.390 -28.593 9.979 515 HA ASN 64 HA ASN 64 -2.220 -29.557 9.787 516 HB2 ASN 64 2HB ASN 64 -1.129 -26.812 9.113 517 HB3 ASN 64 3HB ASN 64 -2.850 -27.180 9.177 518 HD21 ASN 64 1HD2 ASN 64 -3.249 -25.784 10.848 519 HD22 ASN 64 2HD2 ASN 64 -2.708 -26.078 12.461 520 H LYS 65 H LYS 65 -0.093 -28.321 7.257 521 HA LYS 65 HA LYS 65 -1.678 -28.426 5.008 522 HB2 LYS 65 2HB LYS 65 0.674 -27.674 5.065 523 HB3 LYS 65 3HB LYS 65 1.200 -29.337 5.277 524 HG2 LYS 65 2HG LYS 65 0.218 -29.880 3.060 525 HG3 LYS 65 3HG LYS 65 -0.155 -28.167 2.851 526 HD2 LYS 65 2HD LYS 65 2.594 -29.375 3.211 527 HD3 LYS 65 3HD LYS 65 1.926 -28.725 1.712 528 HE2 LYS 65 2HE LYS 65 1.800 -26.498 2.734 529 HE3 LYS 65 3HE LYS 65 2.445 -27.146 4.241 530 HZ1 LYS 65 3HZ LYS 65 4.164 -26.066 2.950 531 HZ2 LYS 65 1HZ LYS 65 3.861 -27.086 1.632 532 HZ3 LYS 65 2HZ LYS 65 4.487 -27.721 3.069 533 H PHE 66 H PHE 66 0.039 -31.102 6.574 534 HA PHE 66 HA PHE 66 -0.752 -33.129 4.749 535 HB2 PHE 66 2HB PHE 66 1.204 -33.399 6.165 536 HB3 PHE 66 3HB PHE 66 0.219 -33.283 7.616 537 HD1 PHE 66 HD2 PHE 66 1.048 -35.408 4.714 538 HD2 PHE 66 HD1 PHE 66 -0.942 -35.182 8.475 539 HE1 PHE 66 HE2 PHE 66 0.784 -37.853 4.717 540 HE2 PHE 66 HE1 PHE 66 -1.210 -37.628 8.479 541 HZ PHE 66 HZ PHE 66 -0.348 -38.966 6.600 542 H ILE 67 H ILE 67 -2.095 -31.985 7.822 543 HA ILE 67 HA ILE 67 -3.997 -33.976 8.273 544 HB ILE 67 HB ILE 67 -4.193 -31.037 8.979 545 HG12 ILE 67 2HG1 ILE 67 -3.149 -33.404 10.565 546 HG13 ILE 67 3HG1 ILE 67 -2.164 -32.122 9.869 547 HG21 ILE 67 1HG2 ILE 67 -6.372 -32.101 9.131 548 HG22 ILE 67 2HG2 ILE 67 -5.750 -31.770 10.747 549 HG23 ILE 67 3HG2 ILE 67 -5.692 -33.409 10.098 550 HD11 ILE 67 3HD1 ILE 67 -4.216 -31.779 12.049 551 HD12 ILE 67 1HD1 ILE 67 -3.220 -30.499 11.355 552 HD13 ILE 67 2HD1 ILE 67 -2.465 -31.813 12.258 553 H ARG 68 H ARG 68 -4.230 -31.068 6.238 554 HA ARG 68 HA ARG 68 -6.968 -31.663 5.495 555 HB2 ARG 68 2HB ARG 68 -6.123 -29.325 5.580 556 HB3 ARG 68 3HB ARG 68 -5.059 -29.686 4.224 557 HG2 ARG 68 2HG ARG 68 -6.973 -30.114 2.789 558 HG3 ARG 68 3HG ARG 68 -8.073 -29.871 4.148 559 HD2 ARG 68 2HD ARG 68 -8.052 -27.880 2.815 560 HD3 ARG 68 3HD ARG 68 -7.236 -27.537 4.338 561 HE ARG 68 HE ARG 68 -5.765 -28.105 1.844 562 HH11 ARG 68 1HH1 ARG 68 -6.206 -26.289 4.743 563 HH12 ARG 68 2HH1 ARG 68 -4.939 -25.175 4.359 564 HH21 ARG 68 1HH2 ARG 68 -4.123 -26.691 1.388 565 HH22 ARG 68 2HH2 ARG 68 -3.756 -25.421 2.503 566 H ASP 69 H ASP 69 -3.764 -32.154 4.122 567 HA ASP 69 HA ASP 69 -4.455 -32.778 1.494 568 HB2 ASP 69 2HB ASP 69 -2.148 -32.372 2.189 569 HB3 ASP 69 3HB ASP 69 -2.159 -33.842 3.159 570 H SER 70 H SER 70 -3.893 -35.076 4.182 571 HA SER 70 HA SER 70 -4.474 -37.394 2.690 572 HB2 SER 70 2HB SER 70 -4.654 -36.979 5.685 573 HB3 SER 70 3HB SER 70 -4.625 -38.544 4.872 574 HG SER 70 HG SER 70 -2.559 -37.722 5.705 575 H LEU 71 H LEU 71 -6.603 -35.303 4.584 576 HA LEU 71 HA LEU 71 -8.852 -37.127 4.343 577 HB2 LEU 71 2HB LEU 71 -8.508 -34.412 5.603 578 HB3 LEU 71 3HB LEU 71 -10.087 -35.158 5.444 579 HG LEU 71 HG LEU 71 -9.312 -37.069 6.814 580 HD11 LEU 71 1HD1 LEU 71 -6.930 -36.999 6.336 581 HD12 LEU 71 2HD1 LEU 71 -7.215 -36.897 8.072 582 HD13 LEU 71 3HD1 LEU 71 -6.788 -35.448 7.162 583 HD21 LEU 71 3HD2 LEU 71 -10.476 -35.202 7.858 584 HD22 LEU 71 1HD2 LEU 71 -8.942 -34.370 8.111 585 HD23 LEU 71 2HD2 LEU 71 -9.274 -35.888 8.950 586 H GLU 72 H GLU 72 -7.616 -34.388 2.634 587 HA GLU 72 HA GLU 72 -8.267 -33.242 0.799 588 HB2 GLU 72 2HB GLU 72 -10.000 -35.678 0.350 589 HB3 GLU 72 3HB GLU 72 -9.697 -34.430 -0.852 590 HG2 GLU 72 2HG GLU 72 -7.300 -34.955 -0.781 591 HG3 GLU 72 3HG GLU 72 -7.623 -36.224 0.401 592 H HIS 73 H HIS 73 -11.411 -34.779 1.383 593 HA HIS 73 HA HIS 73 -13.501 -33.940 1.281 594 HB2 HIS 73 2HB HIS 73 -14.067 -32.337 3.129 595 HB3 HIS 73 3HB HIS 73 -13.228 -33.796 3.624 596 HD1 HIS 73 HD1 HIS 73 -12.943 -30.097 3.603 597 HD2 HIS 73 HD2 HIS 73 -10.598 -33.382 4.595 598 HE1 HIS 73 HE1 HIS 73 -11.005 -29.173 4.903 599 HE2 HIS 73 HE2 HIS 73 -9.742 -31.202 5.688 600 H HIS 74 H HIS 74 -11.760 -30.834 1.754 601 HA HIS 74 HA HIS 74 -13.200 -29.816 -0.616 602 HB2 HIS 74 2HB HIS 74 -14.058 -28.776 1.416 603 HB3 HIS 74 3HB HIS 74 -12.433 -28.330 1.914 604 HD1 HIS 74 HD1 HIS 74 -15.117 -27.402 -0.562 605 HD2 HIS 74 HD2 HIS 74 -11.458 -25.979 0.796 606 HE1 HIS 74 HE1 HIS 74 -14.911 -25.083 -1.492 607 HE2 HIS 74 HE2 HIS 74 -12.815 -24.169 -0.451 608 H HIS 75 H HIS 75 -11.683 -29.914 -2.205 609 HA HIS 75 HA HIS 75 -8.890 -29.605 -1.760 610 HB2 HIS 75 2HB HIS 75 -10.483 -29.561 -4.332 611 HB3 HIS 75 3HB HIS 75 -8.723 -29.560 -4.262 612 HD1 HIS 75 HD1 HIS 75 -11.666 -31.771 -4.018 613 HD2 HIS 75 HD2 HIS 75 -7.581 -32.017 -3.314 614 HE1 HIS 75 HE1 HIS 75 -11.168 -34.216 -3.819 615 HE2 HIS 75 HE2 HIS 75 -8.702 -34.349 -3.354 616 H HIS 76 H HIS 76 -8.417 -27.691 -0.809 617 HA HIS 76 HA HIS 76 -9.451 -25.172 -1.604 618 HB2 HIS 76 2HB HIS 76 -8.705 -25.463 0.659 619 HB3 HIS 76 3HB HIS 76 -7.101 -25.956 0.130 620 HD1 HIS 76 HD1 HIS 76 -5.415 -24.150 -0.371 621 HD2 HIS 76 HD2 HIS 76 -9.197 -22.643 0.462 622 HE1 HIS 76 HE1 HIS 76 -5.111 -21.677 -0.120 623 HE2 HIS 76 HE2 HIS 76 -7.437 -20.772 0.130 624 H HIS 77 H HIS 77 -9.072 -24.633 -3.719 625 HA HIS 77 HA HIS 77 -6.249 -24.081 -4.390 626 HB2 HIS 77 2HB HIS 77 -6.849 -24.259 -6.779 627 HB3 HIS 77 3HB HIS 77 -7.107 -25.765 -5.911 628 HD1 HIS 77 HD1 HIS 77 -9.619 -26.444 -5.464 629 HD2 HIS 77 HD2 HIS 77 -9.086 -23.206 -8.012 630 HE1 HIS 77 HE1 HIS 77 -11.809 -26.156 -6.646 631 HE2 HIS 77 HE2 HIS 77 -11.417 -24.294 -8.293 632 H HIS 78 H HIS 78 -8.572 -22.540 -3.072 633 HA HIS 78 HA HIS 78 -8.037 -20.033 -4.547 634 HB2 HIS 78 2HB HIS 78 -10.527 -20.898 -3.075 635 HB3 HIS 78 3HB HIS 78 -10.182 -19.197 -3.362 636 HD1 HIS 78 HD1 HIS 78 -10.792 -18.277 -5.612 637 HD2 HIS 78 HD2 HIS 78 -10.914 -22.426 -5.506 638 HE1 HIS 78 HE1 HIS 78 -11.830 -18.971 -7.788 639 HE2 HIS 78 HE2 HIS 78 -11.747 -21.486 -7.768 Start of MODEL 4 1 H1 MET 1 1H MET 1 9.587 -7.652 -4.565 2 H2 MET 1 2H MET 1 9.313 -6.562 -3.304 3 H3 MET 1 3H MET 1 9.157 -6.051 -4.906 4 HA MET 1 HA MET 1 7.005 -6.375 -3.885 5 HB2 MET 1 2HB MET 1 7.732 -8.359 -6.055 6 HB3 MET 1 3HB MET 1 6.080 -7.957 -5.605 7 HG2 MET 1 2HG MET 1 6.563 -5.583 -6.185 8 HG3 MET 1 3HG MET 1 8.139 -6.102 -6.782 9 HE1 MET 1 3HE MET 1 5.906 -4.482 -8.519 10 HE2 MET 1 1HE MET 1 6.120 -5.307 -10.062 11 HE3 MET 1 2HE MET 1 7.527 -4.896 -9.080 12 H ALA 2 H ALA 2 5.531 -8.756 -4.115 13 HA ALA 2 HA ALA 2 5.607 -9.681 -1.505 14 HB1 ALA 2 3HB ALA 2 4.017 -11.382 -2.208 15 HB2 ALA 2 1HB ALA 2 4.445 -11.105 -3.897 16 HB3 ALA 2 2HB ALA 2 3.647 -9.835 -2.967 17 H GLN 3 H GLN 3 6.460 -11.386 -0.432 18 HA GLN 3 HA GLN 3 7.581 -13.693 -1.696 19 HB2 GLN 3 2HB GLN 3 9.438 -12.088 -2.056 20 HB3 GLN 3 3HB GLN 3 9.517 -11.804 -0.323 21 HG2 GLN 3 2HG GLN 3 10.176 -14.103 0.062 22 HG3 GLN 3 3HG GLN 3 9.993 -14.471 -1.651 23 HE21 GLN 3 1HE2 GLN 3 11.183 -11.931 -2.492 24 HE22 GLN 3 2HE2 GLN 3 12.877 -12.078 -2.197 25 H ILE 4 H ILE 4 7.614 -15.401 -0.279 26 HA ILE 4 HA ILE 4 6.262 -15.082 2.196 27 HB ILE 4 HB ILE 4 7.757 -17.504 1.162 28 HG12 ILE 4 2HG1 ILE 4 5.970 -16.785 -0.359 29 HG13 ILE 4 3HG1 ILE 4 5.529 -18.289 0.442 30 HG21 ILE 4 1HG2 ILE 4 7.416 -17.661 3.566 31 HG22 ILE 4 2HG2 ILE 4 6.346 -18.786 2.731 32 HG23 ILE 4 3HG2 ILE 4 5.705 -17.273 3.372 33 HD11 ILE 4 3HD1 ILE 4 4.545 -15.545 1.203 34 HD12 ILE 4 1HD1 ILE 4 4.079 -17.066 1.965 35 HD13 ILE 4 2HD1 ILE 4 3.645 -16.752 0.285 36 H ILE 5 H ILE 5 7.302 -13.850 3.668 37 HA ILE 5 HA ILE 5 9.821 -14.898 4.806 38 HB ILE 5 HB ILE 5 9.130 -11.960 4.459 39 HG12 ILE 5 2HG1 ILE 5 9.816 -13.046 2.339 40 HG13 ILE 5 3HG1 ILE 5 10.984 -11.849 2.882 41 HG21 ILE 5 1HG2 ILE 5 10.365 -12.316 6.506 42 HG22 ILE 5 2HG2 ILE 5 11.411 -11.546 5.314 43 HG23 ILE 5 3HG2 ILE 5 11.577 -13.270 5.650 44 HD11 ILE 5 3HD1 ILE 5 11.246 -14.834 3.176 45 HD12 ILE 5 1HD1 ILE 5 12.421 -13.637 3.725 46 HD13 ILE 5 2HD1 ILE 5 12.084 -13.819 2.004 47 H PHE 6 H PHE 6 9.965 -14.820 7.061 48 HA PHE 6 HA PHE 6 9.288 -14.810 9.229 49 HB2 PHE 6 2HB PHE 6 7.485 -12.561 8.296 50 HB3 PHE 6 3HB PHE 6 7.681 -13.030 9.979 51 HD1 PHE 6 HD2 PHE 6 10.336 -13.253 10.621 52 HD2 PHE 6 HD1 PHE 6 8.651 -10.679 7.675 53 HE1 PHE 6 HE2 PHE 6 12.277 -11.755 10.822 54 HE2 PHE 6 HE1 PHE 6 10.592 -9.180 7.870 55 HZ PHE 6 HZ PHE 6 12.407 -9.716 9.445 56 H ASN 7 H ASN 7 7.921 -16.515 7.231 57 HA ASN 7 HA ASN 7 5.293 -16.886 8.547 58 HB2 ASN 7 2HB ASN 7 5.443 -16.425 6.017 59 HB3 ASN 7 3HB ASN 7 6.119 -18.043 5.875 60 HD21 ASN 7 1HD2 ASN 7 4.785 -19.829 6.334 61 HD22 ASN 7 2HD2 ASN 7 3.064 -19.690 6.330 62 H GLU 8 H GLU 8 8.192 -17.930 9.110 63 HA GLU 8 HA GLU 8 7.907 -20.800 8.802 64 HB2 GLU 8 2HB GLU 8 10.107 -19.259 10.200 65 HB3 GLU 8 3HB GLU 8 10.150 -20.952 9.735 66 HG2 GLU 8 2HG GLU 8 11.433 -19.843 8.128 67 HG3 GLU 8 3HG GLU 8 9.890 -20.159 7.336 68 H GLU 9 H GLU 9 6.476 -21.720 10.159 69 HA GLU 9 HA GLU 9 6.530 -21.047 13.021 70 HB2 GLU 9 2HB GLU 9 4.349 -21.023 11.846 71 HB3 GLU 9 3HB GLU 9 4.557 -22.720 11.445 72 HG2 GLU 9 2HG GLU 9 3.064 -22.557 13.295 73 HG3 GLU 9 3HG GLU 9 4.583 -23.244 13.867 74 H TRP 10 H TRP 10 7.604 -22.340 14.394 75 HA TRP 10 HA TRP 10 8.173 -25.137 13.585 76 HB2 TRP 10 2HB TRP 10 9.986 -23.353 15.236 77 HB3 TRP 10 3HB TRP 10 10.350 -24.965 14.633 78 HD1 TRP 10 HD1 TRP 10 10.199 -21.314 13.529 79 HE1 TRP 10 HE1 TRP 10 11.368 -21.088 11.249 80 HE3 TRP 10 HE3 TRP 10 10.881 -26.271 12.471 81 HZ2 TRP 10 HZ2 TRP 10 12.428 -22.775 9.268 82 HZ3 TRP 10 HZ3 TRP 10 11.987 -26.875 10.357 83 HH2 TRP 10 HH2 TRP 10 12.743 -25.161 8.790 84 H MET 11 H MET 11 7.841 -26.732 15.125 85 HA MET 11 HA MET 11 7.843 -26.096 17.948 86 HB2 MET 11 2HB MET 11 5.611 -26.866 18.472 87 HB3 MET 11 3HB MET 11 5.505 -25.544 17.318 88 HG2 MET 11 2HG MET 11 5.417 -28.424 16.460 89 HG3 MET 11 3HG MET 11 3.974 -27.542 16.957 90 HE1 MET 11 3HE MET 11 4.449 -24.634 15.863 91 HE2 MET 11 1HE MET 11 2.948 -25.548 15.718 92 HE3 MET 11 2HE MET 11 3.649 -24.772 14.298 93 H VAL 12 H VAL 12 7.268 -28.147 19.264 94 HA VAL 12 HA VAL 12 8.680 -30.422 18.136 95 HB VAL 12 HB VAL 12 8.395 -31.463 20.346 96 HG11 VAL 12 1HG1 VAL 12 9.320 -28.588 20.483 97 HG12 VAL 12 2HG1 VAL 12 10.294 -29.977 19.996 98 HG13 VAL 12 3HG1 VAL 12 9.712 -29.848 21.656 99 HG21 VAL 12 3HG2 VAL 12 6.844 -28.971 21.079 100 HG22 VAL 12 1HG2 VAL 12 7.298 -30.271 22.179 101 HG23 VAL 12 2HG2 VAL 12 6.156 -30.581 20.868 102 H GLU 13 H GLU 13 7.643 -32.676 18.645 103 HA GLU 13 HA GLU 13 5.465 -33.002 16.914 104 HB2 GLU 13 2HB GLU 13 7.075 -34.770 17.385 105 HB3 GLU 13 3HB GLU 13 6.517 -34.869 19.049 106 HG2 GLU 13 2HG GLU 13 4.310 -35.606 18.242 107 HG3 GLU 13 3HG GLU 13 4.915 -35.549 16.585 108 H LYS 14 H LYS 14 5.538 -32.923 20.466 109 HA LYS 14 HA LYS 14 2.892 -33.594 21.008 110 HB2 LYS 14 2HB LYS 14 4.697 -33.341 22.708 111 HB3 LYS 14 3HB LYS 14 4.600 -31.596 22.522 112 HG2 LYS 14 2HG LYS 14 2.135 -33.110 23.272 113 HG3 LYS 14 3HG LYS 14 3.371 -32.823 24.496 114 HD2 LYS 14 2HD LYS 14 2.094 -30.649 22.828 115 HD3 LYS 14 3HD LYS 14 1.547 -31.103 24.444 116 HE2 LYS 14 2HE LYS 14 3.770 -30.535 25.334 117 HE3 LYS 14 3HE LYS 14 4.293 -30.065 23.717 118 HZ1 LYS 14 3HZ LYS 14 2.118 -28.776 25.284 119 HZ2 LYS 14 1HZ LYS 14 2.602 -28.331 23.724 120 HZ3 LYS 14 2HZ LYS 14 3.664 -28.146 25.024 121 H ALA 15 H ALA 15 4.259 -30.350 20.426 122 HA ALA 15 HA ALA 15 1.745 -29.006 20.548 123 HB1 ALA 15 3HB ALA 15 2.974 -27.084 19.615 124 HB2 ALA 15 1HB ALA 15 4.365 -28.128 19.321 125 HB3 ALA 15 2HB ALA 15 3.828 -27.818 20.972 126 H LEU 16 H LEU 16 3.664 -30.403 17.940 127 HA LEU 16 HA LEU 16 2.373 -29.305 15.725 128 HB2 LEU 16 2HB LEU 16 4.505 -30.647 15.770 129 HB3 LEU 16 3HB LEU 16 3.531 -32.092 15.918 130 HG LEU 16 HG LEU 16 4.431 -31.585 13.614 131 HD11 LEU 16 1HD1 LEU 16 2.418 -32.243 12.434 132 HD12 LEU 16 2HD1 LEU 16 1.431 -31.804 13.826 133 HD13 LEU 16 3HD1 LEU 16 2.576 -33.141 13.943 134 HD21 LEU 16 3HD2 LEU 16 3.284 -29.909 12.265 135 HD22 LEU 16 1HD2 LEU 16 4.099 -29.168 13.641 136 HD23 LEU 16 2HD2 LEU 16 2.350 -29.398 13.673 137 H MET 17 H MET 17 1.647 -32.373 17.433 138 HA MET 17 HA MET 17 -0.547 -33.108 15.818 139 HB2 MET 17 2HB MET 17 -1.146 -34.670 17.578 140 HB3 MET 17 3HB MET 17 0.592 -34.675 17.344 141 HG2 MET 17 2HG MET 17 0.842 -33.229 19.318 142 HG3 MET 17 3HG MET 17 -0.901 -33.300 19.568 143 HE1 MET 17 3HE MET 17 1.554 -36.167 18.386 144 HE2 MET 17 1HE MET 17 1.952 -36.907 19.937 145 HE3 MET 17 2HE MET 17 2.474 -35.259 19.586 146 H VAL 18 H VAL 18 -0.360 -31.049 18.689 147 HA VAL 18 HA VAL 18 -3.172 -30.748 19.051 148 HB VAL 18 HB VAL 18 -0.927 -28.908 19.924 149 HG11 VAL 18 1HG1 VAL 18 -3.791 -29.075 20.880 150 HG12 VAL 18 2HG1 VAL 18 -3.064 -27.750 19.969 151 HG13 VAL 18 3HG1 VAL 18 -2.525 -28.088 21.612 152 HG21 VAL 18 3HG2 VAL 18 -0.674 -31.182 20.799 153 HG22 VAL 18 1HG2 VAL 18 -2.316 -31.127 21.437 154 HG23 VAL 18 2HG2 VAL 18 -1.081 -30.047 22.085 155 H ARG 19 H ARG 19 -0.750 -28.993 17.191 156 HA ARG 19 HA ARG 19 -2.450 -26.815 16.434 157 HB2 ARG 19 2HB ARG 19 0.158 -27.809 15.259 158 HB3 ARG 19 3HB ARG 19 -0.638 -26.318 14.781 159 HG2 ARG 19 2HG ARG 19 0.343 -26.914 17.571 160 HG3 ARG 19 3HG ARG 19 1.233 -25.982 16.367 161 HD2 ARG 19 2HD ARG 19 -0.654 -24.376 16.275 162 HD3 ARG 19 3HD ARG 19 -1.455 -25.287 17.557 163 HE ARG 19 HE ARG 19 0.941 -24.714 18.652 164 HH11 ARG 19 1HH1 ARG 19 -1.435 -22.771 17.097 165 HH12 ARG 19 2HH1 ARG 19 -1.015 -21.354 17.990 166 HH21 ARG 19 1HH2 ARG 19 1.456 -22.887 19.799 167 HH22 ARG 19 2HH2 ARG 19 0.594 -21.421 19.501 168 H THR 20 H THR 20 -1.609 -29.916 14.957 169 HA THR 20 HA THR 20 -2.957 -29.210 12.453 170 HB THR 20 HB THR 20 -2.123 -31.386 11.615 171 HG1 THR 20 HG1 THR 20 -0.478 -31.793 13.814 172 HG21 THR 20 3HG2 THR 20 0.288 -30.854 11.681 173 HG22 THR 20 1HG2 THR 20 -0.015 -29.691 12.972 174 HG23 THR 20 2HG2 THR 20 -0.691 -29.421 11.365 175 H GLY 21 H GLY 21 -3.465 -31.259 15.256 176 HA2 GLY 21 2HA GLY 21 -5.681 -32.003 15.845 177 HA3 GLY 21 3HA GLY 21 -6.069 -32.090 14.134 178 H LEU 22 H LEU 22 -3.068 -33.365 14.304 179 HA LEU 22 HA LEU 22 -4.013 -36.085 14.089 180 HB2 LEU 22 2HB LEU 22 -1.359 -34.731 13.759 181 HB3 LEU 22 3HB LEU 22 -1.417 -36.475 13.914 182 HG LEU 22 HG LEU 22 -2.842 -36.621 11.918 183 HD11 LEU 22 1HD1 LEU 22 -3.224 -34.671 10.505 184 HD12 LEU 22 2HD1 LEU 22 -2.485 -33.630 11.724 185 HD13 LEU 22 3HD1 LEU 22 -3.992 -34.479 12.081 186 HD21 LEU 22 3HD2 LEU 22 -0.310 -35.025 11.500 187 HD22 LEU 22 1HD2 LEU 22 -1.150 -35.968 10.266 188 HD23 LEU 22 2HD2 LEU 22 -0.431 -36.778 11.656 189 H GLY 23 H GLY 23 -2.241 -37.735 15.135 190 HA2 GLY 23 2HA GLY 23 -1.903 -37.076 17.994 191 HA3 GLY 23 3HA GLY 23 -2.700 -38.570 17.523 192 H ALA 24 H ALA 24 -0.527 -38.790 19.116 193 HA ALA 24 HA ALA 24 2.007 -38.826 17.969 194 HB1 ALA 24 3HB ALA 24 0.953 -40.646 20.135 195 HB2 ALA 24 1HB ALA 24 1.617 -39.029 20.370 196 HB3 ALA 24 2HB ALA 24 2.652 -40.330 19.781 197 H ARG 25 H ARG 25 -0.315 -41.552 18.169 198 HA ARG 25 HA ARG 25 1.341 -43.448 16.899 199 HB2 ARG 25 2HB ARG 25 -0.590 -44.846 16.715 200 HB3 ARG 25 3HB ARG 25 -0.730 -43.967 18.231 201 HG2 ARG 25 2HG ARG 25 -2.334 -42.441 17.245 202 HG3 ARG 25 3HG ARG 25 -2.144 -43.218 15.672 203 HD2 ARG 25 2HD ARG 25 -2.942 -45.355 16.755 204 HD3 ARG 25 3HD ARG 25 -3.346 -44.392 18.179 205 HE ARG 25 HE ARG 25 -4.490 -43.375 15.755 206 HH11 ARG 25 1HH1 ARG 25 -4.967 -45.623 18.334 207 HH12 ARG 25 2HH1 ARG 25 -6.677 -45.680 18.093 208 HH21 ARG 25 1HH2 ARG 25 -6.664 -43.477 15.464 209 HH22 ARG 25 2HH2 ARG 25 -7.625 -44.487 16.487 210 H GLN 26 H GLN 26 -0.531 -40.858 15.626 211 HA GLN 26 HA GLN 26 -0.742 -41.893 12.934 212 HB2 GLN 26 2HB GLN 26 -2.478 -40.408 13.834 213 HB3 GLN 26 3HB GLN 26 -1.292 -39.133 14.065 214 HG2 GLN 26 2HG GLN 26 -2.412 -38.532 12.115 215 HG3 GLN 26 3HG GLN 26 -0.909 -39.249 11.544 216 HE21 GLN 26 1HE2 GLN 26 -3.385 -38.914 10.126 217 HE22 GLN 26 2HE2 GLN 26 -3.913 -40.484 9.653 218 H ILE 27 H ILE 27 1.022 -39.211 14.492 219 HA ILE 27 HA ILE 27 2.357 -38.288 12.213 220 HB ILE 27 HB ILE 27 3.256 -38.078 15.096 221 HG12 ILE 27 2HG1 ILE 27 1.577 -36.200 13.405 222 HG13 ILE 27 3HG1 ILE 27 0.980 -37.200 14.725 223 HG21 ILE 27 1HG2 ILE 27 4.029 -36.411 12.693 224 HG22 ILE 27 2HG2 ILE 27 5.068 -37.563 13.532 225 HG23 ILE 27 3HG2 ILE 27 4.520 -36.107 14.361 226 HD11 ILE 27 3HD1 ILE 27 2.389 -35.949 16.290 227 HD12 ILE 27 1HD1 ILE 27 1.253 -34.906 15.436 228 HD13 ILE 27 2HD1 ILE 27 2.951 -34.936 14.960 229 H GLU 28 H GLU 28 3.412 -40.675 14.643 230 HA GLU 28 HA GLU 28 6.068 -40.926 13.795 231 HB2 GLU 28 2HB GLU 28 6.114 -43.045 14.986 232 HB3 GLU 28 3HB GLU 28 5.261 -41.827 15.920 233 HG2 GLU 28 2HG GLU 28 3.124 -42.792 15.287 234 HG3 GLU 28 3HG GLU 28 3.942 -43.982 14.273 235 H SER 29 H SER 29 3.148 -42.318 12.454 236 HA SER 29 HA SER 29 4.400 -44.288 10.825 237 HB2 SER 29 2HB SER 29 1.963 -44.289 11.355 238 HB3 SER 29 3HB SER 29 1.765 -42.875 10.322 239 HG SER 29 HG SER 29 1.350 -45.025 9.356 240 H TYR 30 H TYR 30 3.583 -40.887 10.334 241 HA TYR 30 HA TYR 30 4.524 -40.801 7.614 242 HB2 TYR 30 2HB TYR 30 4.005 -38.544 9.568 243 HB3 TYR 30 3HB TYR 30 4.307 -38.349 7.847 244 HD1 TYR 30 HD2 TYR 30 2.647 -39.784 6.298 245 HD2 TYR 30 HD1 TYR 30 1.805 -38.520 10.277 246 HE1 TYR 30 HE2 TYR 30 0.237 -39.990 5.851 247 HE2 TYR 30 HE1 TYR 30 -0.602 -38.723 9.836 248 HH TYR 30 HH TYR 30 -1.857 -40.312 7.124 249 H ARG 31 H ARG 31 5.911 -40.259 10.784 250 HA ARG 31 HA ARG 31 8.279 -38.930 10.095 251 HB2 ARG 31 2HB ARG 31 7.576 -40.780 12.371 252 HB3 ARG 31 3HB ARG 31 9.169 -40.047 12.233 253 HG2 ARG 31 2HG ARG 31 8.235 -37.837 12.402 254 HG3 ARG 31 3HG ARG 31 6.594 -38.479 12.343 255 HD2 ARG 31 2HD ARG 31 7.404 -37.832 14.629 256 HD3 ARG 31 3HD ARG 31 6.822 -39.488 14.487 257 HE ARG 31 HE ARG 31 9.549 -39.591 14.079 258 HH11 ARG 31 1HH1 ARG 31 7.410 -38.642 16.605 259 HH12 ARG 31 2HH1 ARG 31 8.531 -39.068 17.852 260 HH21 ARG 31 1HH2 ARG 31 10.974 -40.126 15.684 261 HH22 ARG 31 2HH2 ARG 31 10.528 -39.900 17.338 262 H GLN 32 H GLN 32 7.393 -42.265 9.686 263 HA GLN 32 HA GLN 32 10.162 -43.058 9.154 264 HB2 GLN 32 2HB GLN 32 7.642 -44.737 9.134 265 HB3 GLN 32 3HB GLN 32 9.295 -45.336 9.061 266 HG2 GLN 32 2HG GLN 32 8.016 -43.892 11.378 267 HG3 GLN 32 3HG GLN 32 8.390 -45.613 11.288 268 HE21 GLN 32 1HE2 GLN 32 10.551 -46.271 11.442 269 HE22 GLN 32 2HE2 GLN 32 11.781 -45.226 12.057 270 H GLY 33 H GLY 33 8.180 -41.371 7.369 271 HA2 GLY 33 2HA GLY 33 9.034 -42.625 4.859 272 HA3 GLY 33 3HA GLY 33 7.308 -42.431 5.099 273 H ALA 34 H ALA 34 6.447 -40.263 5.245 274 HA ALA 34 HA ALA 34 7.503 -38.631 3.179 275 HB1 ALA 34 3HB ALA 34 5.106 -38.832 3.633 276 HB2 ALA 34 1HB ALA 34 5.630 -37.148 3.632 277 HB3 ALA 34 2HB ALA 34 5.323 -37.976 5.159 278 H TRP 35 H TRP 35 8.021 -38.594 6.603 279 HA TRP 35 HA TRP 35 8.793 -35.851 6.818 280 HB2 TRP 35 2HB TRP 35 8.971 -38.249 8.576 281 HB3 TRP 35 3HB TRP 35 10.030 -36.895 8.936 282 HD1 TRP 35 HD1 TRP 35 8.872 -36.210 11.158 283 HE1 TRP 35 HE1 TRP 35 6.609 -35.162 11.755 284 HE3 TRP 35 HE3 TRP 35 6.485 -36.734 6.649 285 HZ2 TRP 35 HZ2 TRP 35 4.159 -34.619 10.512 286 HZ3 TRP 35 HZ3 TRP 35 4.178 -35.906 6.448 287 HH2 TRP 35 HH2 TRP 35 3.038 -34.872 8.341 288 H ILE 36 H ILE 36 10.366 -35.137 5.567 289 HA ILE 36 HA ILE 36 12.906 -36.607 5.332 290 HB ILE 36 HB ILE 36 11.921 -34.201 3.765 291 HG12 ILE 36 2HG1 ILE 36 12.077 -37.100 2.882 292 HG13 ILE 36 3HG1 ILE 36 10.594 -36.279 3.362 293 HG21 ILE 36 1HG2 ILE 36 14.347 -34.294 3.840 294 HG22 ILE 36 2HG2 ILE 36 13.781 -34.720 2.225 295 HG23 ILE 36 3HG2 ILE 36 14.325 -35.982 3.330 296 HD11 ILE 36 3HD1 ILE 36 12.342 -35.567 1.014 297 HD12 ILE 36 1HD1 ILE 36 10.879 -34.708 1.500 298 HD13 ILE 36 2HD1 ILE 36 10.780 -36.382 0.956 299 H GLU 37 H GLU 37 14.765 -35.800 6.271 300 HA GLU 37 HA GLU 37 14.581 -33.758 8.221 301 HB2 GLU 37 2HB GLU 37 17.005 -33.982 8.475 302 HB3 GLU 37 3HB GLU 37 16.233 -35.559 8.398 303 HG2 GLU 37 2HG GLU 37 16.953 -35.846 6.111 304 HG3 GLU 37 3HG GLU 37 17.626 -34.216 6.084 305 H GLY 38 H GLY 38 15.298 -31.627 8.254 306 HA2 GLY 38 2HA GLY 38 15.963 -29.570 7.408 307 HA3 GLY 38 3HA GLY 38 16.435 -30.359 5.913 308 H VAL 39 H VAL 39 13.987 -31.546 5.208 309 HA VAL 39 HA VAL 39 12.631 -29.229 4.121 310 HB VAL 39 HB VAL 39 12.080 -32.172 3.675 311 HG11 VAL 39 1HG1 VAL 39 10.145 -30.815 3.105 312 HG12 VAL 39 2HG1 VAL 39 10.909 -31.429 1.640 313 HG13 VAL 39 3HG1 VAL 39 11.153 -29.749 2.124 314 HG21 VAL 39 3HG2 VAL 39 13.336 -31.902 1.588 315 HG22 VAL 39 1HG2 VAL 39 14.344 -31.551 2.991 316 HG23 VAL 39 2HG2 VAL 39 13.699 -30.230 2.018 317 H HIS 40 H HIS 40 11.627 -32.050 6.091 318 HA HIS 40 HA HIS 40 9.110 -30.636 6.711 319 HB2 HIS 40 2HB HIS 40 9.693 -33.594 6.540 320 HB3 HIS 40 3HB HIS 40 8.211 -32.948 7.240 321 HD1 HIS 40 HD1 HIS 40 9.744 -33.847 4.033 322 HD2 HIS 40 HD2 HIS 40 6.584 -31.482 5.323 323 HE1 HIS 40 HE1 HIS 40 8.345 -33.429 1.998 324 HE2 HIS 40 HE2 HIS 40 6.566 -31.830 2.762 325 H PHE 41 H PHE 41 11.966 -31.974 8.140 326 HA PHE 41 HA PHE 41 11.205 -30.757 10.651 327 HB2 PHE 41 2HB PHE 41 11.507 -32.672 12.077 328 HB3 PHE 41 3HB PHE 41 10.313 -33.098 10.860 329 HD1 PHE 41 HD1 PHE 41 10.926 -34.646 9.018 330 HD2 PHE 41 HD2 PHE 41 13.585 -33.829 12.244 331 HE1 PHE 41 HE1 PHE 41 12.235 -36.650 8.450 332 HE2 PHE 41 HE2 PHE 41 14.899 -35.828 11.675 333 HZ PHE 41 HZ PHE 41 14.222 -37.241 9.778 334 H LYS 42 H LYS 42 13.003 -30.179 11.934 335 HA LYS 42 HA LYS 42 15.637 -30.679 10.674 336 HB2 LYS 42 2HB LYS 42 16.319 -28.432 11.238 337 HB3 LYS 42 3HB LYS 42 14.817 -28.355 10.327 338 HG2 LYS 42 2HG LYS 42 13.555 -27.923 12.327 339 HG3 LYS 42 3HG LYS 42 14.980 -28.186 13.334 340 HD2 LYS 42 2HD LYS 42 16.065 -26.242 12.204 341 HD3 LYS 42 3HD LYS 42 14.548 -25.943 11.352 342 HE2 LYS 42 2HE LYS 42 13.398 -25.565 13.455 343 HE3 LYS 42 3HE LYS 42 14.854 -25.976 14.360 344 HZ1 LYS 42 3HZ LYS 42 14.650 -23.616 14.268 345 HZ2 LYS 42 1HZ LYS 42 14.468 -23.627 12.584 346 HZ3 LYS 42 2HZ LYS 42 15.947 -24.056 13.278 347 H ARG 43 H ARG 43 17.490 -30.672 12.067 348 HA ARG 43 HA ARG 43 16.901 -31.524 14.816 349 HB2 ARG 43 2HB ARG 43 19.146 -32.405 14.884 350 HB3 ARG 43 3HB ARG 43 18.388 -32.928 13.387 351 HG2 ARG 43 2HG ARG 43 19.602 -31.212 12.149 352 HG3 ARG 43 3HG ARG 43 20.335 -30.635 13.645 353 HD2 ARG 43 2HD ARG 43 21.381 -32.863 13.944 354 HD3 ARG 43 3HD ARG 43 20.712 -33.354 12.389 355 HE ARG 43 HE ARG 43 22.068 -31.253 11.606 356 HH11 ARG 43 1HH1 ARG 43 23.026 -33.627 13.907 357 HH12 ARG 43 2HH1 ARG 43 24.709 -33.446 13.563 358 HH21 ARG 43 1HH2 ARG 43 24.245 -31.045 11.159 359 HH22 ARG 43 2HH2 ARG 43 25.386 -32.023 12.022 360 H VAL 44 H VAL 44 17.694 -30.478 16.637 361 HA VAL 44 HA VAL 44 19.305 -28.040 16.244 362 HB VAL 44 HB VAL 44 16.815 -28.226 17.962 363 HG11 VAL 44 1HG1 VAL 44 18.516 -26.921 19.101 364 HG12 VAL 44 2HG1 VAL 44 17.232 -25.866 18.511 365 HG13 VAL 44 3HG1 VAL 44 18.772 -25.945 17.653 366 HG21 VAL 44 3HG2 VAL 44 16.305 -27.915 15.597 367 HG22 VAL 44 1HG2 VAL 44 17.408 -26.543 15.519 368 HG23 VAL 44 2HG2 VAL 44 15.946 -26.445 16.502 369 H SER 45 H SER 45 21.177 -28.790 17.145 370 HA SER 45 HA SER 45 21.143 -30.091 19.765 371 HB2 SER 45 2HB SER 45 23.565 -30.369 19.452 372 HB3 SER 45 3HB SER 45 22.688 -30.949 18.038 373 HG SER 45 HG SER 45 23.238 -28.377 17.642 374 HA PRO 46 HA PRO 46 21.369 -25.957 21.615 375 HB2 PRO 46 2HB PRO 46 21.596 -26.867 24.214 376 HB3 PRO 46 3HB PRO 46 20.066 -26.669 23.356 377 HG2 PRO 46 2HG PRO 46 21.703 -29.147 23.760 378 HG3 PRO 46 3HG PRO 46 19.945 -28.936 23.877 379 HD2 PRO 46 2HD PRO 46 21.072 -30.034 21.710 380 HD3 PRO 46 3HD PRO 46 19.667 -28.955 21.563 381 H SER 47 H SER 47 23.632 -28.586 22.254 382 HA SER 47 HA SER 47 25.659 -26.857 23.384 383 HB2 SER 47 2HB SER 47 27.043 -28.915 23.408 384 HB3 SER 47 3HB SER 47 25.470 -29.170 24.164 385 HG SER 47 HG SER 47 25.995 -30.872 22.731 386 H GLY 48 H GLY 48 24.669 -27.656 20.236 387 HA2 GLY 48 2HA GLY 48 25.564 -27.298 18.152 388 HA3 GLY 48 3HA GLY 48 26.650 -26.164 18.935 389 H GLU 49 H GLU 49 26.640 -29.534 19.844 390 HA GLU 49 HA GLU 49 29.439 -29.723 19.134 391 HB2 GLU 49 2HB GLU 49 29.414 -31.840 20.328 392 HB3 GLU 49 3HB GLU 49 28.641 -30.584 21.284 393 HG2 GLU 49 2HG GLU 49 26.447 -31.444 20.683 394 HG3 GLU 49 3HG GLU 49 27.194 -32.677 19.664 395 H LYS 50 H LYS 50 26.954 -29.968 17.185 396 HA LYS 50 HA LYS 50 26.680 -30.790 15.100 397 HB2 LYS 50 2HB LYS 50 29.326 -32.170 15.545 398 HB3 LYS 50 3HB LYS 50 28.465 -32.137 14.011 399 HG2 LYS 50 2HG LYS 50 28.649 -29.680 13.976 400 HG3 LYS 50 3HG LYS 50 29.555 -29.741 15.489 401 HD2 LYS 50 2HD LYS 50 30.396 -31.050 12.896 402 HD3 LYS 50 3HD LYS 50 31.022 -29.522 13.513 403 HE2 LYS 50 2HE LYS 50 31.939 -30.649 15.461 404 HE3 LYS 50 3HE LYS 50 31.244 -32.181 14.932 405 HZ1 LYS 50 3HZ LYS 50 33.598 -32.009 14.393 406 HZ2 LYS 50 1HZ LYS 50 33.304 -30.635 13.449 407 HZ3 LYS 50 2HZ LYS 50 32.659 -32.129 12.994 408 H THR 51 H THR 51 27.554 -33.151 17.511 409 HA THR 51 HA THR 51 26.367 -35.427 16.354 410 HB THR 51 HB THR 51 26.594 -34.815 19.321 411 HG1 THR 51 HG1 THR 51 28.668 -35.440 19.204 412 HG21 THR 51 3HG2 THR 51 25.220 -36.784 18.829 413 HG22 THR 51 1HG2 THR 51 26.750 -37.256 19.569 414 HG23 THR 51 2HG2 THR 51 26.514 -37.449 17.832 415 H LEU 52 H LEU 52 24.322 -36.501 17.167 416 HA LEU 52 HA LEU 52 22.162 -34.682 16.710 417 HB2 LEU 52 2HB LEU 52 22.177 -37.638 17.333 418 HB3 LEU 52 3HB LEU 52 20.734 -36.733 16.928 419 HG LEU 52 HG LEU 52 21.418 -37.899 14.964 420 HD11 LEU 52 1HD1 LEU 52 22.249 -35.013 14.717 421 HD12 LEU 52 2HD1 LEU 52 20.611 -35.649 14.561 422 HD13 LEU 52 3HD1 LEU 52 21.843 -36.088 13.379 423 HD21 LEU 52 3HD2 LEU 52 23.631 -37.656 13.949 424 HD22 LEU 52 1HD2 LEU 52 23.728 -38.375 15.557 425 HD23 LEU 52 2HD2 LEU 52 24.155 -36.680 15.322 426 H ARG 53 H ARG 53 23.663 -34.506 19.369 427 HA ARG 53 HA ARG 53 21.755 -35.253 21.389 428 HB2 ARG 53 2HB ARG 53 24.129 -33.386 21.634 429 HB3 ARG 53 3HB ARG 53 23.261 -34.152 22.956 430 HG2 ARG 53 2HG ARG 53 24.916 -35.572 20.871 431 HG3 ARG 53 3HG ARG 53 25.408 -35.228 22.528 432 HD2 ARG 53 2HD ARG 53 23.407 -36.591 23.273 433 HD3 ARG 53 3HD ARG 53 23.227 -37.088 21.590 434 HE ARG 53 HE ARG 53 25.820 -37.525 22.860 435 HH11 ARG 53 1HH1 ARG 53 22.857 -38.875 21.714 436 HH12 ARG 53 2HH1 ARG 53 23.450 -40.496 21.784 437 HH21 ARG 53 1HH2 ARG 53 26.551 -39.600 22.965 438 HH22 ARG 53 2HH2 ARG 53 25.519 -40.906 22.499 439 H GLY 54 H GLY 54 19.857 -34.109 20.528 440 HA2 GLY 54 2HA GLY 54 19.435 -31.625 21.823 441 HA3 GLY 54 3HA GLY 54 19.760 -31.334 20.126 442 H THR 55 H THR 55 17.602 -30.346 20.301 443 HA THR 55 HA THR 55 15.319 -32.152 20.560 444 HB THR 55 HB THR 55 15.360 -29.150 20.101 445 HG1 THR 55 HG1 THR 55 15.402 -28.927 22.232 446 HG21 THR 55 3HG2 THR 55 13.246 -30.207 19.413 447 HG22 THR 55 1HG2 THR 55 13.031 -29.205 20.848 448 HG23 THR 55 2HG2 THR 55 13.108 -30.960 21.002 449 H THR 56 H THR 56 13.828 -32.551 18.922 450 HA THR 56 HA THR 56 14.690 -31.853 16.184 451 HB THR 56 HB THR 56 12.836 -34.095 17.057 452 HG1 THR 56 HG1 THR 56 15.061 -35.009 15.938 453 HG21 THR 56 3HG2 THR 56 14.068 -33.485 14.361 454 HG22 THR 56 1HG2 THR 56 12.363 -33.318 14.782 455 HG23 THR 56 2HG2 THR 56 13.112 -34.914 14.752 456 H TRP 57 H TRP 57 13.625 -30.133 15.412 457 HA TRP 57 HA TRP 57 10.892 -29.576 16.315 458 HB2 TRP 57 2HB TRP 57 12.882 -27.869 14.805 459 HB3 TRP 57 3HB TRP 57 11.253 -27.350 15.226 460 HD1 TRP 57 HD1 TRP 57 14.473 -28.543 17.057 461 HE1 TRP 57 HE1 TRP 57 14.610 -27.300 19.308 462 HE3 TRP 57 HE3 TRP 57 10.052 -25.985 16.847 463 HZ2 TRP 57 HZ2 TRP 57 13.051 -25.495 20.799 464 HZ3 TRP 57 HZ3 TRP 57 9.444 -24.526 18.732 465 HH2 TRP 57 HH2 TRP 57 10.914 -24.287 20.669 466 H TYR 58 H TYR 58 9.140 -29.643 15.024 467 HA TYR 58 HA TYR 58 9.485 -30.761 12.339 468 HB2 TYR 58 2HB TYR 58 7.055 -30.594 14.143 469 HB3 TYR 58 3HB TYR 58 7.054 -31.313 12.535 470 HD1 TYR 58 HD1 TYR 58 8.643 -31.609 15.895 471 HD2 TYR 58 HD2 TYR 58 7.644 -33.579 12.253 472 HE1 TYR 58 HE1 TYR 58 9.380 -33.748 16.852 473 HE2 TYR 58 HE2 TYR 58 8.376 -35.723 13.210 474 HH TYR 58 HH TYR 58 9.007 -36.135 16.530 475 H ASN 59 H ASN 59 8.742 -29.808 10.504 476 HA ASN 59 HA ASN 59 8.287 -26.960 10.580 477 HB2 ASN 59 2HB ASN 59 8.275 -28.851 8.208 478 HB3 ASN 59 3HB ASN 59 8.350 -27.094 8.134 479 HD21 ASN 59 1HD2 ASN 59 10.291 -27.174 7.005 480 HD22 ASN 59 2HD2 ASN 59 11.779 -27.574 7.778 481 H TYR 60 H TYR 60 6.245 -26.549 11.459 482 HA TYR 60 HA TYR 60 3.885 -27.922 10.920 483 HB2 TYR 60 2HB TYR 60 3.982 -26.385 12.763 484 HB3 TYR 60 3HB TYR 60 4.281 -25.024 11.686 485 HD1 TYR 60 HD1 TYR 60 1.715 -27.688 12.309 486 HD2 TYR 60 HD2 TYR 60 2.481 -23.682 11.076 487 HE1 TYR 60 HE1 TYR 60 -0.704 -27.278 12.151 488 HE2 TYR 60 HE2 TYR 60 0.065 -23.266 10.919 489 HH TYR 60 HH TYR 60 -1.997 -24.510 10.623 490 HA PRO 61 HA PRO 61 2.895 -24.611 7.388 491 HB2 PRO 61 2HB PRO 61 5.203 -23.847 6.034 492 HB3 PRO 61 3HB PRO 61 4.343 -22.854 7.215 493 HG2 PRO 61 2HG PRO 61 6.755 -24.586 7.596 494 HG3 PRO 61 3HG PRO 61 6.418 -22.972 8.252 495 HD2 PRO 61 2HD PRO 61 6.151 -25.153 9.774 496 HD3 PRO 61 3HD PRO 61 4.996 -23.809 9.906 497 H GLU 62 H GLU 62 5.445 -27.011 7.357 498 HA GLU 62 HA GLU 62 4.895 -27.813 4.607 499 HB2 GLU 62 2HB GLU 62 6.940 -28.523 6.665 500 HB3 GLU 62 3HB GLU 62 6.594 -29.704 5.410 501 HG2 GLU 62 2HG GLU 62 7.319 -26.850 4.807 502 HG3 GLU 62 3HG GLU 62 8.516 -28.136 4.969 503 H ILE 63 H ILE 63 4.543 -29.180 7.877 504 HA ILE 63 HA ILE 63 3.383 -31.630 7.042 505 HB ILE 63 HB ILE 63 3.161 -30.200 9.702 506 HG12 ILE 63 2HG1 ILE 63 4.998 -32.433 8.789 507 HG13 ILE 63 3HG1 ILE 63 5.470 -30.750 9.001 508 HG21 ILE 63 1HG2 ILE 63 1.357 -31.824 9.461 509 HG22 ILE 63 2HG2 ILE 63 2.546 -32.394 10.631 510 HG23 ILE 63 3HG2 ILE 63 2.520 -33.071 9.003 511 HD11 ILE 63 3HD1 ILE 63 5.007 -30.917 11.386 512 HD12 ILE 63 1HD1 ILE 63 6.185 -32.121 10.869 513 HD13 ILE 63 2HD1 ILE 63 4.517 -32.599 11.178 514 H ASN 64 H ASN 64 1.884 -28.646 8.322 515 HA ASN 64 HA ASN 64 -0.794 -29.355 8.005 516 HB2 ASN 64 2HB ASN 64 -0.025 -27.316 9.182 517 HB3 ASN 64 3HB ASN 64 0.448 -26.610 7.642 518 HD21 ASN 64 1HD2 ASN 64 -0.929 -24.879 7.809 519 HD22 ASN 64 2HD2 ASN 64 -2.646 -25.033 7.692 520 H LYS 65 H LYS 65 1.374 -27.723 5.721 521 HA LYS 65 HA LYS 65 -0.309 -27.513 3.522 522 HB2 LYS 65 2HB LYS 65 1.702 -26.359 3.386 523 HB3 LYS 65 3HB LYS 65 2.655 -27.744 3.887 524 HG2 LYS 65 2HG LYS 65 2.431 -28.754 1.717 525 HG3 LYS 65 3HG LYS 65 1.305 -27.493 1.201 526 HD2 LYS 65 2HD LYS 65 2.974 -25.866 1.103 527 HD3 LYS 65 3HD LYS 65 4.053 -26.766 2.169 528 HE2 LYS 65 2HE LYS 65 3.315 -27.637 -0.624 529 HE3 LYS 65 3HE LYS 65 4.763 -26.715 -0.225 530 HZ1 LYS 65 3HZ LYS 65 5.353 -28.998 -0.332 531 HZ2 LYS 65 1HZ LYS 65 4.081 -29.455 0.686 532 HZ3 LYS 65 2HZ LYS 65 5.379 -28.560 1.301 533 H PHE 66 H PHE 66 1.728 -30.258 4.500 534 HA PHE 66 HA PHE 66 1.253 -31.926 2.279 535 HB2 PHE 66 2HB PHE 66 3.042 -32.347 3.886 536 HB3 PHE 66 3HB PHE 66 1.867 -32.632 5.163 537 HD1 PHE 66 HD2 PHE 66 3.097 -33.952 1.911 538 HD2 PHE 66 HD1 PHE 66 0.985 -34.785 5.520 539 HE1 PHE 66 HE2 PHE 66 3.066 -36.346 1.343 540 HE2 PHE 66 HE1 PHE 66 0.953 -37.177 4.953 541 HZ PHE 66 HZ PHE 66 1.992 -37.962 2.861 542 H ILE 67 H ILE 67 -0.417 -31.735 5.420 543 HA ILE 67 HA ILE 67 -2.339 -33.737 4.969 544 HB ILE 67 HB ILE 67 -2.586 -31.242 6.671 545 HG12 ILE 67 2HG1 ILE 67 -1.724 -34.042 7.462 546 HG13 ILE 67 3HG1 ILE 67 -0.617 -32.700 7.193 547 HG21 ILE 67 1HG2 ILE 67 -4.151 -33.827 6.786 548 HG22 ILE 67 2HG2 ILE 67 -4.765 -32.260 6.258 549 HG23 ILE 67 3HG2 ILE 67 -4.279 -32.495 7.936 550 HD11 ILE 67 3HD1 ILE 67 -1.623 -31.484 9.042 551 HD12 ILE 67 1HD1 ILE 67 -1.036 -33.065 9.559 552 HD13 ILE 67 2HD1 ILE 67 -2.761 -32.807 9.303 553 H ARG 68 H ARG 68 -2.613 -30.200 4.539 554 HA ARG 68 HA ARG 68 -5.261 -30.249 3.524 555 HB2 ARG 68 2HB ARG 68 -3.135 -28.131 3.114 556 HB3 ARG 68 3HB ARG 68 -4.870 -27.915 2.911 557 HG2 ARG 68 2HG ARG 68 -3.486 -28.586 5.507 558 HG3 ARG 68 3HG ARG 68 -4.038 -26.981 5.027 559 HD2 ARG 68 2HD ARG 68 -6.335 -27.702 5.047 560 HD3 ARG 68 3HD ARG 68 -5.855 -29.381 5.297 561 HE ARG 68 HE ARG 68 -5.387 -28.905 7.528 562 HH11 ARG 68 1HH1 ARG 68 -6.330 -26.044 5.856 563 HH12 ARG 68 2HH1 ARG 68 -6.602 -25.158 7.313 564 HH21 ARG 68 1HH2 ARG 68 -5.782 -27.763 9.390 565 HH22 ARG 68 2HH2 ARG 68 -6.316 -26.120 9.283 566 H ASP 69 H ASP 69 -2.164 -30.732 2.017 567 HA ASP 69 HA ASP 69 -2.845 -30.173 -0.662 568 HB2 ASP 69 2HB ASP 69 -0.527 -30.418 0.204 569 HB3 ASP 69 3HB ASP 69 -0.797 -32.146 0.382 570 H SER 70 H SER 70 -2.746 -33.302 1.072 571 HA SER 70 HA SER 70 -3.935 -34.691 -1.182 572 HB2 SER 70 2HB SER 70 -2.234 -35.847 0.129 573 HB3 SER 70 3HB SER 70 -3.214 -35.694 1.586 574 HG SER 70 HG SER 70 -3.349 -37.540 -0.408 575 H LEU 71 H LEU 71 -4.950 -34.082 2.204 576 HA LEU 71 HA LEU 71 -7.434 -35.417 1.943 577 HB2 LEU 71 2HB LEU 71 -6.398 -33.440 3.965 578 HB3 LEU 71 3HB LEU 71 -8.017 -34.108 4.066 579 HG LEU 71 HG LEU 71 -7.018 -36.399 4.186 580 HD11 LEU 71 1HD1 LEU 71 -4.872 -35.931 3.103 581 HD12 LEU 71 2HD1 LEU 71 -4.652 -36.654 4.695 582 HD13 LEU 71 3HD1 LEU 71 -4.399 -34.923 4.471 583 HD21 LEU 71 3HD2 LEU 71 -7.708 -35.188 6.202 584 HD22 LEU 71 1HD2 LEU 71 -6.096 -34.487 6.332 585 HD23 LEU 71 2HD2 LEU 71 -6.319 -36.227 6.509 586 H GLU 72 H GLU 72 -6.640 -31.944 1.867 587 HA GLU 72 HA GLU 72 -7.700 -30.139 0.965 588 HB2 GLU 72 2HB GLU 72 -9.239 -32.184 -0.649 589 HB3 GLU 72 3HB GLU 72 -9.069 -30.476 -1.027 590 HG2 GLU 72 2HG GLU 72 -6.671 -30.784 -1.373 591 HG3 GLU 72 3HG GLU 72 -6.827 -32.492 -0.962 592 H HIS 73 H HIS 73 -9.065 -31.774 3.242 593 HA HIS 73 HA HIS 73 -11.872 -31.298 2.920 594 HB2 HIS 73 2HB HIS 73 -10.587 -32.997 4.489 595 HB3 HIS 73 3HB HIS 73 -10.612 -31.655 5.625 596 HD1 HIS 73 HD1 HIS 73 -12.109 -34.219 6.315 597 HD2 HIS 73 HD2 HIS 73 -13.874 -31.013 4.348 598 HE1 HIS 73 HE1 HIS 73 -14.570 -34.457 6.722 599 HE2 HIS 73 HE2 HIS 73 -15.626 -32.633 5.347 600 H HIS 74 H HIS 74 -13.138 -29.628 3.745 601 HA HIS 74 HA HIS 74 -12.156 -27.069 3.712 602 HB2 HIS 74 2HB HIS 74 -14.264 -26.309 4.540 603 HB3 HIS 74 3HB HIS 74 -14.576 -27.740 3.570 604 HD1 HIS 74 HD1 HIS 74 -14.501 -26.571 7.155 605 HD2 HIS 74 HD2 HIS 74 -15.806 -29.832 4.929 606 HE1 HIS 74 HE1 HIS 74 -15.882 -27.948 8.728 607 HE2 HIS 74 HE2 HIS 74 -16.800 -29.810 7.319 608 H HIS 75 H HIS 75 -12.129 -25.394 5.390 609 HA HIS 75 HA HIS 75 -10.204 -25.917 7.344 610 HB2 HIS 75 2HB HIS 75 -12.185 -23.627 7.284 611 HB3 HIS 75 3HB HIS 75 -10.653 -23.656 8.155 612 HD1 HIS 75 HD1 HIS 75 -12.129 -22.881 4.886 613 HD2 HIS 75 HD2 HIS 75 -8.335 -23.673 6.396 614 HE1 HIS 75 HE1 HIS 75 -10.522 -22.099 3.123 615 HE2 HIS 75 HE2 HIS 75 -8.253 -22.771 3.973 616 H HIS 76 H HIS 76 -10.255 -26.365 9.515 617 HA HIS 76 HA HIS 76 -12.795 -27.409 10.543 618 HB2 HIS 76 2HB HIS 76 -9.973 -27.769 11.584 619 HB3 HIS 76 3HB HIS 76 -11.405 -28.586 12.202 620 HD1 HIS 76 HD1 HIS 76 -12.337 -30.560 10.805 621 HD2 HIS 76 HD2 HIS 76 -8.985 -28.755 9.132 622 HE1 HIS 76 HE1 HIS 76 -11.559 -32.121 9.002 623 HE2 HIS 76 HE2 HIS 76 -9.463 -31.082 8.094 624 H HIS 77 H HIS 77 -13.664 -26.825 12.556 625 HA HIS 77 HA HIS 77 -12.751 -24.223 13.586 626 HB2 HIS 77 2HB HIS 77 -15.128 -24.430 12.898 627 HB3 HIS 77 3HB HIS 77 -15.357 -25.684 14.114 628 HD1 HIS 77 HD1 HIS 77 -15.611 -24.930 16.557 629 HD2 HIS 77 HD2 HIS 77 -14.884 -21.801 13.917 630 HE1 HIS 77 HE1 HIS 77 -16.004 -22.833 17.871 631 HE2 HIS 77 HE2 HIS 77 -15.387 -20.965 16.312 632 H HIS 78 H HIS 78 -12.056 -23.917 15.643 633 HA HIS 78 HA HIS 78 -12.630 -25.563 17.853 634 HB2 HIS 78 2HB HIS 78 -11.156 -27.178 16.705 635 HB3 HIS 78 3HB HIS 78 -9.858 -25.989 16.699 636 HD1 HIS 78 HD1 HIS 78 -8.549 -25.656 18.853 637 HD2 HIS 78 HD2 HIS 78 -11.706 -28.327 19.248 638 HE1 HIS 78 HE1 HIS 78 -8.208 -26.775 21.070 639 HE2 HIS 78 HE2 HIS 78 -10.004 -28.528 21.185 Start of MODEL 5 1 H1 MET 1 1H MET 1 4.509 -7.228 -4.312 2 H2 MET 1 2H MET 1 3.405 -8.494 -4.528 3 H3 MET 1 3H MET 1 4.136 -7.767 -5.870 4 HA MET 1 HA MET 1 5.130 -9.910 -5.415 5 HB2 MET 1 2HB MET 1 6.489 -8.079 -6.383 6 HB3 MET 1 3HB MET 1 6.968 -7.586 -4.765 7 HG2 MET 1 2HG MET 1 8.164 -9.642 -4.432 8 HG3 MET 1 3HG MET 1 7.564 -10.288 -5.959 9 HE1 MET 1 3HE MET 1 9.822 -7.498 -4.302 10 HE2 MET 1 1HE MET 1 8.733 -6.581 -5.344 11 HE3 MET 1 2HE MET 1 10.450 -6.682 -5.734 12 H ALA 2 H ALA 2 5.123 -11.401 -3.832 13 HA ALA 2 HA ALA 2 5.332 -10.427 -1.053 14 HB1 ALA 2 3HB ALA 2 3.826 -12.221 -0.421 15 HB2 ALA 2 1HB ALA 2 3.807 -12.818 -2.080 16 HB3 ALA 2 2HB ALA 2 3.114 -11.240 -1.702 17 H GLN 3 H GLN 3 7.249 -10.911 -0.175 18 HA GLN 3 HA GLN 3 8.164 -13.713 -0.319 19 HB2 GLN 3 2HB GLN 3 10.283 -12.890 0.692 20 HB3 GLN 3 3HB GLN 3 9.940 -12.153 -0.866 21 HG2 GLN 3 2HG GLN 3 9.125 -10.138 0.283 22 HG3 GLN 3 3HG GLN 3 9.512 -10.881 1.833 23 HE21 GLN 3 1HE2 GLN 3 10.984 -9.269 2.366 24 HE22 GLN 3 2HE2 GLN 3 12.522 -9.134 1.597 25 H ILE 4 H ILE 4 8.046 -14.983 1.511 26 HA ILE 4 HA ILE 4 6.350 -13.910 3.620 27 HB ILE 4 HB ILE 4 7.285 -16.749 3.149 28 HG12 ILE 4 2HG1 ILE 4 5.865 -15.922 1.329 29 HG13 ILE 4 3HG1 ILE 4 5.010 -17.127 2.284 30 HG21 ILE 4 1HG2 ILE 4 5.174 -15.673 5.027 31 HG22 ILE 4 2HG2 ILE 4 6.715 -16.399 5.487 32 HG23 ILE 4 3HG2 ILE 4 5.476 -17.382 4.704 33 HD11 ILE 4 3HD1 ILE 4 3.554 -15.292 1.679 34 HD12 ILE 4 1HD1 ILE 4 4.639 -14.141 2.460 35 HD13 ILE 4 2HD1 ILE 4 3.785 -15.345 3.426 36 H ILE 5 H ILE 5 7.287 -12.963 5.330 37 HA ILE 5 HA ILE 5 9.884 -13.780 6.321 38 HB ILE 5 HB ILE 5 7.905 -11.749 7.400 39 HG12 ILE 5 2HG1 ILE 5 9.733 -10.127 6.703 40 HG13 ILE 5 3HG1 ILE 5 10.505 -11.467 5.863 41 HG21 ILE 5 1HG2 ILE 5 9.187 -12.672 9.244 42 HG22 ILE 5 2HG2 ILE 5 9.711 -11.022 8.914 43 HG23 ILE 5 3HG2 ILE 5 10.695 -12.385 8.378 44 HD11 ILE 5 3HD1 ILE 5 7.750 -10.396 5.287 45 HD12 ILE 5 1HD1 ILE 5 8.575 -11.685 4.408 46 HD13 ILE 5 2HD1 ILE 5 9.210 -10.040 4.364 47 H PHE 6 H PHE 6 9.988 -15.665 7.404 48 HA PHE 6 HA PHE 6 7.758 -16.789 8.804 49 HB2 PHE 6 2HB PHE 6 10.668 -17.622 8.692 50 HB3 PHE 6 3HB PHE 6 9.406 -18.553 9.493 51 HD1 PHE 6 HD1 PHE 6 10.686 -17.402 6.238 52 HD2 PHE 6 HD2 PHE 6 7.806 -19.834 8.231 53 HE1 PHE 6 HE1 PHE 6 10.154 -18.520 4.109 54 HE2 PHE 6 HE2 PHE 6 7.279 -20.954 6.106 55 HZ PHE 6 HZ PHE 6 8.454 -20.299 4.042 56 H ASN 7 H ASN 7 7.253 -16.758 10.926 57 HA ASN 7 HA ASN 7 8.530 -14.855 12.650 58 HB2 ASN 7 2HB ASN 7 6.373 -16.889 13.285 59 HB3 ASN 7 3HB ASN 7 6.828 -15.518 14.294 60 HD21 ASN 7 1HD2 ASN 7 6.269 -13.444 13.639 61 HD22 ASN 7 2HD2 ASN 7 5.047 -13.164 12.449 62 H GLU 8 H GLU 8 9.784 -17.652 11.803 63 HA GLU 8 HA GLU 8 11.199 -19.200 12.669 64 HB2 GLU 8 2HB GLU 8 11.475 -17.038 14.761 65 HB3 GLU 8 3HB GLU 8 12.463 -18.492 14.759 66 HG2 GLU 8 2HG GLU 8 12.323 -16.503 12.500 67 HG3 GLU 8 3HG GLU 8 13.574 -16.531 13.742 68 H GLU 9 H GLU 9 8.399 -19.494 13.331 69 HA GLU 9 HA GLU 9 8.181 -20.450 16.025 70 HB2 GLU 9 2HB GLU 9 6.377 -21.032 13.665 71 HB3 GLU 9 3HB GLU 9 5.976 -21.251 15.362 72 HG2 GLU 9 2HG GLU 9 6.629 -18.573 14.140 73 HG3 GLU 9 3HG GLU 9 4.997 -19.221 14.246 74 H TRP 10 H TRP 10 10.222 -21.747 15.777 75 HA TRP 10 HA TRP 10 9.833 -24.371 14.506 76 HB2 TRP 10 2HB TRP 10 12.327 -23.175 15.760 77 HB3 TRP 10 3HB TRP 10 12.241 -24.707 14.900 78 HD1 TRP 10 HD1 TRP 10 12.539 -20.973 14.330 79 HE1 TRP 10 HE1 TRP 10 12.925 -20.521 11.828 80 HE3 TRP 10 HE3 TRP 10 11.654 -25.672 12.504 81 HZ2 TRP 10 HZ2 TRP 10 12.867 -21.958 9.407 82 HZ3 TRP 10 HZ3 TRP 10 11.846 -26.045 10.081 83 HH2 TRP 10 HH2 TRP 10 12.440 -24.225 8.564 84 H MET 11 H MET 11 9.340 -26.132 15.707 85 HA MET 11 HA MET 11 10.012 -26.170 18.561 86 HB2 MET 11 2HB MET 11 7.710 -26.848 19.182 87 HB3 MET 11 3HB MET 11 7.788 -25.214 18.536 88 HG2 MET 11 2HG MET 11 7.017 -26.073 16.354 89 HG3 MET 11 3HG MET 11 6.871 -27.679 17.067 90 HE1 MET 11 3HE MET 11 6.052 -24.198 18.712 91 HE2 MET 11 1HE MET 11 4.329 -24.052 18.368 92 HE3 MET 11 2HE MET 11 5.497 -23.996 17.051 93 H VAL 12 H VAL 12 10.046 -28.238 19.527 94 HA VAL 12 HA VAL 12 10.765 -30.370 17.771 95 HB VAL 12 HB VAL 12 11.069 -31.723 19.792 96 HG11 VAL 12 1HG1 VAL 12 12.130 -28.904 20.055 97 HG12 VAL 12 2HG1 VAL 12 12.872 -30.231 19.160 98 HG13 VAL 12 3HG1 VAL 12 12.757 -30.309 20.917 99 HG21 VAL 12 3HG2 VAL 12 9.912 -29.368 21.299 100 HG22 VAL 12 1HG2 VAL 12 10.592 -30.832 22.013 101 HG23 VAL 12 2HG2 VAL 12 9.113 -30.921 21.056 102 H GLU 13 H GLU 13 9.838 -32.594 17.981 103 HA GLU 13 HA GLU 13 7.322 -32.739 16.913 104 HB2 GLU 13 2HB GLU 13 9.009 -34.536 16.860 105 HB3 GLU 13 3HB GLU 13 8.695 -34.877 18.555 106 HG2 GLU 13 2HG GLU 13 6.423 -35.559 18.027 107 HG3 GLU 13 3HG GLU 13 6.672 -35.144 16.331 108 H LYS 14 H LYS 14 8.095 -33.380 20.353 109 HA LYS 14 HA LYS 14 5.479 -33.986 21.170 110 HB2 LYS 14 2HB LYS 14 7.620 -34.436 22.432 111 HB3 LYS 14 3HB LYS 14 7.622 -32.745 22.906 112 HG2 LYS 14 2HG LYS 14 5.206 -34.408 23.485 113 HG3 LYS 14 3HG LYS 14 6.643 -34.604 24.486 114 HD2 LYS 14 2HD LYS 14 5.282 -31.956 23.975 115 HD3 LYS 14 3HD LYS 14 4.970 -32.974 25.384 116 HE2 LYS 14 2HE LYS 14 7.349 -32.806 26.006 117 HE3 LYS 14 3HE LYS 14 7.631 -31.763 24.612 118 HZ1 LYS 14 3HZ LYS 14 6.179 -30.121 25.544 119 HZ2 LYS 14 1HZ LYS 14 7.344 -30.533 26.698 120 HZ3 LYS 14 2HZ LYS 14 5.768 -31.131 26.833 121 H ALA 15 H ALA 15 7.165 -30.862 21.063 122 HA ALA 15 HA ALA 15 5.037 -29.381 22.277 123 HB1 ALA 15 3HB ALA 15 6.262 -27.402 21.541 124 HB2 ALA 15 1HB ALA 15 7.293 -28.405 20.520 125 HB3 ALA 15 2HB ALA 15 7.355 -28.575 22.274 126 H LEU 16 H LEU 16 5.900 -30.244 18.991 127 HA LEU 16 HA LEU 16 4.273 -28.475 17.560 128 HB2 LEU 16 2HB LEU 16 6.143 -29.928 16.687 129 HB3 LEU 16 3HB LEU 16 5.044 -31.289 16.750 130 HG LEU 16 HG LEU 16 5.410 -30.214 14.478 131 HD11 LEU 16 1HD1 LEU 16 3.109 -30.452 13.770 132 HD12 LEU 16 2HD1 LEU 16 2.559 -30.344 15.442 133 HD13 LEU 16 3HD1 LEU 16 3.531 -31.720 14.920 134 HD21 LEU 16 3HD2 LEU 16 4.125 -28.189 13.971 135 HD22 LEU 16 1HD2 LEU 16 5.375 -27.883 15.177 136 HD23 LEU 16 2HD2 LEU 16 3.690 -28.041 15.675 137 H MET 17 H MET 17 3.584 -31.840 18.595 138 HA MET 17 HA MET 17 1.000 -31.997 17.515 139 HB2 MET 17 2HB MET 17 0.635 -33.885 18.994 140 HB3 MET 17 3HB MET 17 2.265 -33.947 18.344 141 HG2 MET 17 2HG MET 17 3.148 -33.075 20.439 142 HG3 MET 17 3HG MET 17 1.514 -32.971 21.093 143 HE1 MET 17 3HE MET 17 3.083 -35.797 18.817 144 HE2 MET 17 1HE MET 17 3.652 -36.927 20.046 145 HE3 MET 17 2HE MET 17 4.400 -35.336 19.898 146 H VAL 18 H VAL 18 2.113 -30.606 20.537 147 HA VAL 18 HA VAL 18 -0.459 -30.346 21.754 148 HB VAL 18 HB VAL 18 2.106 -28.839 22.337 149 HG11 VAL 18 1HG1 VAL 18 1.117 -28.390 24.545 150 HG12 VAL 18 2HG1 VAL 18 -0.387 -29.146 24.021 151 HG13 VAL 18 3HG1 VAL 18 0.173 -27.665 23.245 152 HG21 VAL 18 3HG2 VAL 18 2.358 -31.271 22.565 153 HG22 VAL 18 1HG2 VAL 18 0.969 -31.316 23.650 154 HG23 VAL 18 2HG2 VAL 18 2.439 -30.470 24.134 155 H ARG 19 H ARG 19 1.587 -28.163 19.842 156 HA ARG 19 HA ARG 19 -0.269 -25.956 20.142 157 HB2 ARG 19 2HB ARG 19 2.334 -26.252 18.643 158 HB3 ARG 19 3HB ARG 19 1.382 -24.772 18.634 159 HG2 ARG 19 2HG ARG 19 2.201 -26.002 21.240 160 HG3 ARG 19 3HG ARG 19 3.354 -25.040 20.316 161 HD2 ARG 19 2HD ARG 19 1.924 -23.882 22.141 162 HD3 ARG 19 3HD ARG 19 2.132 -23.080 20.589 163 HE ARG 19 HE ARG 19 -0.111 -23.747 20.016 164 HH11 ARG 19 1HH1 ARG 19 0.713 -24.193 23.346 165 HH12 ARG 19 2HH1 ARG 19 -0.938 -24.134 23.857 166 HH21 ARG 19 1HH2 ARG 19 -2.200 -23.688 20.697 167 HH22 ARG 19 2HH2 ARG 19 -2.559 -23.853 22.384 168 H THR 20 H THR 20 -0.100 -28.581 18.032 169 HA THR 20 HA THR 20 -1.571 -27.115 15.921 170 HB THR 20 HB THR 20 -1.096 -29.004 14.428 171 HG1 THR 20 HG1 THR 20 0.770 -30.121 16.168 172 HG21 THR 20 3HG2 THR 20 1.392 -27.950 15.787 173 HG22 THR 20 1HG2 THR 20 0.499 -27.144 14.497 174 HG23 THR 20 2HG2 THR 20 1.317 -28.673 14.180 175 H GLY 21 H GLY 21 -1.802 -29.764 18.210 176 HA2 GLY 21 2HA GLY 21 -3.860 -30.634 19.008 177 HA3 GLY 21 3HA GLY 21 -4.644 -30.089 17.533 178 H LEU 22 H LEU 22 -1.958 -31.442 16.373 179 HA LEU 22 HA LEU 22 -3.256 -33.857 15.538 180 HB2 LEU 22 2HB LEU 22 -0.523 -32.684 15.097 181 HB3 LEU 22 3HB LEU 22 -0.866 -34.333 14.610 182 HG LEU 22 HG LEU 22 -2.631 -33.542 13.107 183 HD11 LEU 22 1HD1 LEU 22 -1.806 -30.767 13.962 184 HD12 LEU 22 2HD1 LEU 22 -3.350 -31.548 14.302 185 HD13 LEU 22 3HD1 LEU 22 -2.912 -31.151 12.641 186 HD21 LEU 22 3HD2 LEU 22 -0.345 -33.791 12.267 187 HD22 LEU 22 1HD2 LEU 22 -0.009 -32.109 12.679 188 HD23 LEU 22 2HD2 LEU 22 -1.203 -32.494 11.438 189 H GLY 23 H GLY 23 -2.429 -36.028 15.838 190 HA2 GLY 23 2HA GLY 23 -1.377 -36.437 18.554 191 HA3 GLY 23 3HA GLY 23 -2.212 -37.633 17.577 192 H ALA 24 H ALA 24 0.178 -38.150 18.945 193 HA ALA 24 HA ALA 24 2.563 -37.845 17.601 194 HB1 ALA 24 3HB ALA 24 1.667 -40.276 19.152 195 HB2 ALA 24 1HB ALA 24 2.379 -38.814 19.836 196 HB3 ALA 24 2HB ALA 24 3.335 -39.847 18.774 197 H ARG 25 H ARG 25 0.172 -40.452 17.107 198 HA ARG 25 HA ARG 25 1.677 -41.837 15.140 199 HB2 ARG 25 2HB ARG 25 -0.422 -43.032 14.640 200 HB3 ARG 25 3HB ARG 25 -0.083 -42.969 16.364 201 HG2 ARG 25 2HG ARG 25 -1.744 -41.270 16.700 202 HG3 ARG 25 3HG ARG 25 -1.982 -41.091 14.960 203 HD2 ARG 25 2HD ARG 25 -2.868 -43.350 14.818 204 HD3 ARG 25 3HD ARG 25 -2.558 -43.607 16.535 205 HE ARG 25 HE ARG 25 -4.203 -41.673 16.829 206 HH11 ARG 25 1HH1 ARG 25 -4.390 -43.947 14.238 207 HH12 ARG 25 2HH1 ARG 25 -6.105 -43.791 14.086 208 HH21 ARG 25 1HH2 ARG 25 -6.403 -41.504 16.633 209 HH22 ARG 25 2HH2 ARG 25 -7.233 -42.438 15.437 210 H GLN 26 H GLN 26 -0.445 -39.085 14.957 211 HA GLN 26 HA GLN 26 -0.938 -39.273 12.130 212 HB2 GLN 26 2HB GLN 26 -2.390 -38.076 13.888 213 HB3 GLN 26 3HB GLN 26 -1.219 -36.766 13.795 214 HG2 GLN 26 2HG GLN 26 -1.669 -36.599 11.364 215 HG3 GLN 26 3HG GLN 26 -2.915 -37.833 11.544 216 HE21 GLN 26 1HE2 GLN 26 -3.219 -35.133 10.617 217 HE22 GLN 26 2HE2 GLN 26 -4.322 -34.354 11.692 218 H ILE 27 H ILE 27 1.341 -37.557 14.206 219 HA ILE 27 HA ILE 27 2.506 -35.942 12.173 220 HB ILE 27 HB ILE 27 3.702 -36.858 14.800 221 HG12 ILE 27 2HG1 ILE 27 2.228 -34.316 14.048 222 HG13 ILE 27 3HG1 ILE 27 1.625 -35.587 15.105 223 HG21 ILE 27 1HG2 ILE 27 5.250 -34.981 14.564 224 HG22 ILE 27 2HG2 ILE 27 4.554 -34.583 12.993 225 HG23 ILE 27 3HG2 ILE 27 5.422 -36.102 13.213 226 HD11 ILE 27 3HD1 ILE 27 2.397 -33.672 16.374 227 HD12 ILE 27 1HD1 ILE 27 3.999 -33.816 15.651 228 HD13 ILE 27 2HD1 ILE 27 3.392 -35.089 16.712 229 H GLU 28 H GLU 28 3.644 -38.997 13.699 230 HA GLU 28 HA GLU 28 5.960 -39.338 12.197 231 HB2 GLU 28 2HB GLU 28 5.801 -41.744 12.725 232 HB3 GLU 28 3HB GLU 28 5.500 -40.731 14.131 233 HG2 GLU 28 2HG GLU 28 3.130 -41.116 13.964 234 HG3 GLU 28 3HG GLU 28 3.341 -41.996 12.450 235 H SER 29 H SER 29 2.649 -40.241 11.385 236 HA SER 29 HA SER 29 3.088 -41.612 8.992 237 HB2 SER 29 2HB SER 29 0.875 -41.538 9.976 238 HB3 SER 29 3HB SER 29 0.800 -39.787 9.792 239 HG SER 29 HG SER 29 1.094 -41.546 7.582 240 H TYR 30 H TYR 30 2.467 -38.122 9.451 241 HA TYR 30 HA TYR 30 2.792 -37.425 6.729 242 HB2 TYR 30 2HB TYR 30 3.087 -35.702 9.203 243 HB3 TYR 30 3HB TYR 30 2.943 -35.097 7.557 244 HD1 TYR 30 HD2 TYR 30 0.817 -37.532 7.040 245 HD2 TYR 30 HD1 TYR 30 1.122 -34.237 9.725 246 HE1 TYR 30 HE2 TYR 30 -1.629 -37.492 7.262 247 HE2 TYR 30 HE1 TYR 30 -1.325 -34.197 9.955 248 HH TYR 30 HH TYR 30 -3.335 -34.941 8.533 249 H ARG 31 H ARG 31 5.104 -37.749 9.354 250 HA ARG 31 HA ARG 31 7.301 -36.399 8.231 251 HB2 ARG 31 2HB ARG 31 7.276 -38.813 10.065 252 HB3 ARG 31 3HB ARG 31 8.703 -37.850 9.703 253 HG2 ARG 31 2HG ARG 31 7.764 -35.932 10.787 254 HG3 ARG 31 3HG ARG 31 6.211 -36.739 10.985 255 HD2 ARG 31 2HD ARG 31 7.222 -36.877 13.097 256 HD3 ARG 31 3HD ARG 31 7.477 -38.466 12.386 257 HE ARG 31 HE ARG 31 9.483 -36.464 12.999 258 HH11 ARG 31 1HH1 ARG 31 8.786 -39.442 11.423 259 HH12 ARG 31 2HH1 ARG 31 10.433 -39.960 11.421 260 HH21 ARG 31 1HH2 ARG 31 11.589 -37.183 13.083 261 HH22 ARG 31 2HH2 ARG 31 11.993 -38.703 12.366 262 H GLN 32 H GLN 32 5.858 -39.414 7.348 263 HA GLN 32 HA GLN 32 8.266 -40.432 6.050 264 HB2 GLN 32 2HB GLN 32 5.490 -41.602 6.305 265 HB3 GLN 32 3HB GLN 32 6.847 -42.409 5.528 266 HG2 GLN 32 2HG GLN 32 8.070 -42.401 7.641 267 HG3 GLN 32 3HG GLN 32 6.723 -41.576 8.425 268 HE21 GLN 32 1HE2 GLN 32 7.942 -44.194 8.970 269 HE22 GLN 32 2HE2 GLN 32 6.650 -45.335 8.872 270 H GLY 33 H GLY 33 5.736 -38.377 5.076 271 HA2 GLY 33 2HA GLY 33 6.421 -38.811 2.267 272 HA3 GLY 33 3HA GLY 33 4.770 -39.189 2.700 273 H ALA 34 H ALA 34 5.881 -36.562 4.516 274 HA ALA 34 HA ALA 34 5.020 -34.604 2.489 275 HB1 ALA 34 3HB ALA 34 3.523 -33.500 4.064 276 HB2 ALA 34 1HB ALA 34 3.901 -34.707 5.295 277 HB3 ALA 34 2HB ALA 34 3.042 -35.180 3.830 278 H TRP 35 H TRP 35 6.797 -35.324 5.397 279 HA TRP 35 HA TRP 35 7.602 -32.642 5.949 280 HB2 TRP 35 2HB TRP 35 8.284 -35.338 7.001 281 HB3 TRP 35 3HB TRP 35 9.436 -34.046 7.298 282 HD1 TRP 35 HD1 TRP 35 8.994 -34.031 9.887 283 HE1 TRP 35 HE1 TRP 35 7.065 -33.167 11.343 284 HE3 TRP 35 HE3 TRP 35 5.417 -33.382 6.268 285 HZ2 TRP 35 HZ2 TRP 35 4.412 -32.317 11.029 286 HZ3 TRP 35 HZ3 TRP 35 3.212 -32.535 6.941 287 HH2 TRP 35 HH2 TRP 35 2.719 -32.014 9.271 288 H ILE 36 H ILE 36 9.315 -31.499 5.336 289 HA ILE 36 HA ILE 36 11.436 -32.702 3.691 290 HB ILE 36 HB ILE 36 9.920 -30.190 2.917 291 HG12 ILE 36 2HG1 ILE 36 9.943 -32.915 1.580 292 HG13 ILE 36 3HG1 ILE 36 8.599 -32.229 2.490 293 HG21 ILE 36 1HG2 ILE 36 12.291 -30.086 2.337 294 HG22 ILE 36 2HG2 ILE 36 11.295 -30.219 0.888 295 HG23 ILE 36 3HG2 ILE 36 12.164 -31.630 1.493 296 HD11 ILE 36 3HD1 ILE 36 9.741 -31.132 -0.072 297 HD12 ILE 36 1HD1 ILE 36 8.396 -30.442 0.840 298 HD13 ILE 36 2HD1 ILE 36 8.236 -32.035 0.102 299 H GLU 37 H GLU 37 13.418 -32.004 4.410 300 HA GLU 37 HA GLU 37 13.596 -29.985 6.420 301 HB2 GLU 37 2HB GLU 37 16.015 -30.318 6.338 302 HB3 GLU 37 3HB GLU 37 15.162 -31.851 6.417 303 HG2 GLU 37 2HG GLU 37 15.533 -32.191 4.029 304 HG3 GLU 37 3HG GLU 37 16.365 -30.638 3.932 305 H GLY 38 H GLY 38 14.422 -27.908 6.329 306 HA2 GLY 38 2HA GLY 38 15.006 -25.886 5.297 307 HA3 GLY 38 3HA GLY 38 14.930 -26.681 3.732 308 H VAL 39 H VAL 39 12.174 -27.736 4.822 309 HA VAL 39 HA VAL 39 10.624 -25.302 4.164 310 HB VAL 39 HB VAL 39 9.953 -28.130 3.303 311 HG11 VAL 39 1HG1 VAL 39 7.965 -26.768 3.700 312 HG12 VAL 39 2HG1 VAL 39 8.176 -27.079 1.977 313 HG13 VAL 39 3HG1 VAL 39 8.604 -25.505 2.649 314 HG21 VAL 39 3HG2 VAL 39 10.466 -27.373 1.022 315 HG22 VAL 39 1HG2 VAL 39 11.881 -27.258 2.068 316 HG23 VAL 39 2HG2 VAL 39 10.972 -25.805 1.652 317 H HIS 40 H HIS 40 9.745 -28.615 5.221 318 HA HIS 40 HA HIS 40 7.814 -27.486 7.086 319 HB2 HIS 40 2HB HIS 40 8.388 -30.342 6.262 320 HB3 HIS 40 3HB HIS 40 7.185 -29.908 7.469 321 HD1 HIS 40 HD1 HIS 40 7.221 -30.861 4.097 322 HD2 HIS 40 HD2 HIS 40 5.393 -27.752 6.153 323 HE1 HIS 40 HE1 HIS 40 5.360 -30.075 2.614 324 HE2 HIS 40 HE2 HIS 40 4.429 -28.053 3.781 325 H PHE 41 H PHE 41 11.030 -28.491 7.244 326 HA PHE 41 HA PHE 41 11.235 -27.890 10.011 327 HB2 PHE 41 2HB PHE 41 11.884 -30.025 10.924 328 HB3 PHE 41 3HB PHE 41 10.319 -30.235 10.152 329 HD1 PHE 41 HD1 PHE 41 10.122 -31.528 8.066 330 HD2 PHE 41 HD2 PHE 41 13.853 -31.130 10.087 331 HE1 PHE 41 HE1 PHE 41 11.023 -33.415 6.777 332 HE2 PHE 41 HE2 PHE 41 14.755 -33.017 8.791 333 HZ PHE 41 HZ PHE 41 13.338 -34.163 7.136 334 H LYS 42 H LYS 42 13.622 -28.551 10.770 335 HA LYS 42 HA LYS 42 15.467 -29.055 8.613 336 HB2 LYS 42 2HB LYS 42 16.728 -27.050 8.678 337 HB3 LYS 42 3HB LYS 42 15.048 -26.568 8.514 338 HG2 LYS 42 2HG LYS 42 15.048 -26.205 11.030 339 HG3 LYS 42 3HG LYS 42 16.804 -26.387 10.952 340 HD2 LYS 42 2HD LYS 42 16.697 -24.563 9.119 341 HD3 LYS 42 3HD LYS 42 15.072 -24.249 9.725 342 HE2 LYS 42 2HE LYS 42 16.500 -22.722 10.833 343 HE3 LYS 42 3HE LYS 42 16.109 -23.974 12.016 344 HZ1 LYS 42 3HZ LYS 42 18.249 -25.024 11.519 345 HZ2 LYS 42 1HZ LYS 42 18.455 -23.434 12.060 346 HZ3 LYS 42 2HZ LYS 42 18.609 -23.795 10.417 347 H ARG 43 H ARG 43 17.577 -29.617 9.307 348 HA ARG 43 HA ARG 43 17.554 -30.872 11.905 349 HB2 ARG 43 2HB ARG 43 19.582 -30.843 9.665 350 HB3 ARG 43 3HB ARG 43 19.816 -31.730 11.167 351 HG2 ARG 43 2HG ARG 43 17.951 -33.149 10.709 352 HG3 ARG 43 3HG ARG 43 17.464 -32.165 9.326 353 HD2 ARG 43 2HD ARG 43 20.090 -33.653 9.519 354 HD3 ARG 43 3HD ARG 43 18.647 -34.287 8.724 355 HE ARG 43 HE ARG 43 18.858 -32.112 7.346 356 HH11 ARG 43 1HH1 ARG 43 21.478 -34.083 8.433 357 HH12 ARG 43 2HH1 ARG 43 22.534 -33.538 7.181 358 HH21 ARG 43 1HH2 ARG 43 20.187 -31.467 5.749 359 HH22 ARG 43 2HH2 ARG 43 21.816 -32.045 5.676 360 H VAL 44 H VAL 44 17.869 -29.571 13.607 361 HA VAL 44 HA VAL 44 20.010 -27.554 13.534 362 HB VAL 44 HB VAL 44 17.803 -27.976 15.566 363 HG11 VAL 44 1HG1 VAL 44 19.774 -26.945 16.580 364 HG12 VAL 44 2HG1 VAL 44 18.452 -25.784 16.459 365 HG13 VAL 44 3HG1 VAL 44 19.795 -25.713 15.317 366 HG21 VAL 44 3HG2 VAL 44 16.939 -27.243 13.404 367 HG22 VAL 44 1HG2 VAL 44 18.083 -25.900 13.384 368 HG23 VAL 44 2HG2 VAL 44 16.801 -25.952 14.597 369 H SER 45 H SER 45 21.695 -27.545 15.034 370 HA SER 45 HA SER 45 22.501 -30.126 15.998 371 HB2 SER 45 2HB SER 45 24.538 -29.001 16.747 372 HB3 SER 45 3HB SER 45 24.130 -28.483 15.113 373 HG SER 45 HG SER 45 24.100 -27.056 17.509 374 HA PRO 46 HA PRO 46 21.026 -29.574 20.207 375 HB2 PRO 46 2HB PRO 46 21.990 -31.822 21.285 376 HB3 PRO 46 3HB PRO 46 20.723 -31.880 20.052 377 HG2 PRO 46 2HG PRO 46 23.650 -32.420 19.786 378 HG3 PRO 46 3HG PRO 46 22.283 -33.233 19.007 379 HD2 PRO 46 2HD PRO 46 23.877 -31.236 17.851 380 HD3 PRO 46 3HD PRO 46 22.290 -31.768 17.260 381 H SER 47 H SER 47 22.097 -29.876 22.529 382 HA SER 47 HA SER 47 24.312 -28.092 22.691 383 HB2 SER 47 2HB SER 47 22.587 -28.317 24.488 384 HB3 SER 47 3HB SER 47 23.249 -29.903 24.881 385 HG SER 47 HG SER 47 24.587 -28.854 26.109 386 H GLY 48 H GLY 48 25.933 -29.068 21.413 387 HA2 GLY 48 2HA GLY 48 27.995 -30.174 21.338 388 HA3 GLY 48 3HA GLY 48 27.542 -31.085 22.771 389 H GLU 49 H GLU 49 28.658 -32.695 21.149 390 HA GLU 49 HA GLU 49 26.945 -33.697 19.035 391 HB2 GLU 49 2HB GLU 49 29.495 -34.889 20.149 392 HB3 GLU 49 3HB GLU 49 28.736 -35.291 18.615 393 HG2 GLU 49 2HG GLU 49 29.978 -32.642 19.351 394 HG3 GLU 49 3HG GLU 49 30.675 -33.863 18.288 395 H LYS 50 H LYS 50 25.591 -33.831 21.469 396 HA LYS 50 HA LYS 50 25.914 -36.434 22.693 397 HB2 LYS 50 2HB LYS 50 23.782 -34.338 23.170 398 HB3 LYS 50 3HB LYS 50 24.133 -35.718 24.201 399 HG2 LYS 50 2HG LYS 50 26.018 -33.433 23.645 400 HG3 LYS 50 3HG LYS 50 25.038 -33.621 25.097 401 HD2 LYS 50 2HD LYS 50 27.128 -35.600 24.178 402 HD3 LYS 50 3HD LYS 50 27.411 -34.334 25.373 403 HE2 LYS 50 2HE LYS 50 25.676 -35.303 26.807 404 HE3 LYS 50 3HE LYS 50 25.394 -36.570 25.614 405 HZ1 LYS 50 3HZ LYS 50 27.642 -37.349 25.934 406 HZ2 LYS 50 1HZ LYS 50 26.836 -37.305 27.423 407 HZ3 LYS 50 2HZ LYS 50 27.960 -36.103 27.032 408 H THR 51 H THR 51 24.522 -35.626 19.856 409 HA THR 51 HA THR 51 22.695 -37.917 19.941 410 HB THR 51 HB THR 51 21.757 -35.269 18.807 411 HG1 THR 51 HG1 THR 51 21.658 -36.259 21.392 412 HG21 THR 51 3HG2 THR 51 19.565 -36.355 18.731 413 HG22 THR 51 1HG2 THR 51 20.269 -37.836 19.384 414 HG23 THR 51 2HG2 THR 51 20.745 -37.263 17.785 415 H LEU 52 H LEU 52 22.225 -38.807 17.859 416 HA LEU 52 HA LEU 52 24.406 -38.559 16.015 417 HB2 LEU 52 2HB LEU 52 21.847 -40.153 15.875 418 HB3 LEU 52 3HB LEU 52 23.160 -40.293 14.721 419 HG LEU 52 HG LEU 52 23.351 -42.136 16.209 420 HD11 LEU 52 1HD1 LEU 52 25.367 -40.046 17.020 421 HD12 LEU 52 2HD1 LEU 52 25.471 -41.123 15.628 422 HD13 LEU 52 3HD1 LEU 52 25.532 -41.786 17.259 423 HD21 LEU 52 3HD2 LEU 52 23.226 -40.181 18.513 424 HD22 LEU 52 1HD2 LEU 52 23.488 -41.922 18.641 425 HD23 LEU 52 2HD2 LEU 52 21.954 -41.305 18.032 426 H ARG 53 H ARG 53 20.864 -38.185 15.535 427 HA ARG 53 HA ARG 53 21.335 -36.743 13.048 428 HB2 ARG 53 2HB ARG 53 18.692 -37.329 14.399 429 HB3 ARG 53 3HB ARG 53 18.943 -36.862 12.720 430 HG2 ARG 53 2HG ARG 53 19.858 -39.436 13.999 431 HG3 ARG 53 3HG ARG 53 18.466 -39.245 12.934 432 HD2 ARG 53 2HD ARG 53 19.848 -38.748 11.068 433 HD3 ARG 53 3HD ARG 53 21.273 -38.540 12.087 434 HE ARG 53 HE ARG 53 20.636 -41.089 12.567 435 HH11 ARG 53 1HH1 ARG 53 20.893 -39.394 9.579 436 HH12 ARG 53 2HH1 ARG 53 21.477 -40.775 8.724 437 HH21 ARG 53 1HH2 ARG 53 21.381 -42.836 11.473 438 HH22 ARG 53 2HH2 ARG 53 21.752 -42.711 9.788 439 H GLY 54 H GLY 54 21.424 -35.821 16.174 440 HA2 GLY 54 2HA GLY 54 21.584 -33.692 17.072 441 HA3 GLY 54 3HA GLY 54 21.026 -33.031 15.544 442 H THR 55 H THR 55 19.269 -31.834 15.903 443 HA THR 55 HA THR 55 17.009 -33.042 17.347 444 HB THR 55 HB THR 55 17.959 -30.201 17.848 445 HG1 THR 55 HG1 THR 55 18.628 -32.527 19.030 446 HG21 THR 55 3HG2 THR 55 15.519 -30.374 17.903 447 HG22 THR 55 1HG2 THR 55 16.156 -30.134 19.530 448 HG23 THR 55 2HG2 THR 55 15.625 -31.737 19.016 449 H THR 56 H THR 56 15.285 -33.011 16.031 450 HA THR 56 HA THR 56 15.284 -31.272 13.701 451 HB THR 56 HB THR 56 13.285 -33.394 14.527 452 HG1 THR 56 HG1 THR 56 15.053 -34.524 13.989 453 HG21 THR 56 3HG2 THR 56 13.634 -31.935 11.901 454 HG22 THR 56 1HG2 THR 56 12.278 -31.765 13.017 455 HG23 THR 56 2HG2 THR 56 12.545 -33.294 12.178 456 H TRP 57 H TRP 57 14.677 -29.229 14.102 457 HA TRP 57 HA TRP 57 12.331 -28.656 15.751 458 HB2 TRP 57 2HB TRP 57 14.278 -26.831 14.305 459 HB3 TRP 57 3HB TRP 57 12.914 -26.262 15.262 460 HD1 TRP 57 HD1 TRP 57 15.933 -28.640 15.910 461 HE1 TRP 57 HE1 TRP 57 16.880 -28.092 18.238 462 HE3 TRP 57 HE3 TRP 57 12.666 -24.950 17.270 463 HZ2 TRP 57 HZ2 TRP 57 16.315 -26.337 20.371 464 HZ3 TRP 57 HZ3 TRP 57 12.938 -23.886 19.471 465 HH2 TRP 57 HH2 TRP 57 14.726 -24.565 20.991 466 H TYR 58 H TYR 58 10.352 -28.481 14.899 467 HA TYR 58 HA TYR 58 10.043 -28.695 12.013 468 HB2 TYR 58 2HB TYR 58 8.063 -28.983 14.282 469 HB3 TYR 58 3HB TYR 58 7.665 -29.202 12.583 470 HD1 TYR 58 HD2 TYR 58 8.967 -31.004 11.289 471 HD2 TYR 58 HD1 TYR 58 8.882 -30.802 15.542 472 HE1 TYR 58 HE2 TYR 58 9.672 -33.355 11.414 473 HE2 TYR 58 HE1 TYR 58 9.586 -33.155 15.669 474 HH TYR 58 HH TYR 58 10.905 -34.810 13.136 475 H ASN 59 H ASN 59 8.839 -27.357 10.717 476 HA ASN 59 HA ASN 59 8.623 -24.580 11.546 477 HB2 ASN 59 2HB ASN 59 9.590 -25.304 9.340 478 HB3 ASN 59 3HB ASN 59 7.988 -25.847 8.863 479 HD21 ASN 59 1HD2 ASN 59 9.604 -23.896 7.563 480 HD22 ASN 59 2HD2 ASN 59 8.733 -22.407 7.596 481 H TYR 60 H TYR 60 6.847 -24.344 12.880 482 HA TYR 60 HA TYR 60 4.435 -25.695 12.760 483 HB2 TYR 60 2HB TYR 60 5.047 -24.396 14.704 484 HB3 TYR 60 3HB TYR 60 4.990 -22.899 13.782 485 HD1 TYR 60 HD1 TYR 60 2.935 -25.588 15.276 486 HD2 TYR 60 HD2 TYR 60 2.899 -21.760 13.398 487 HE1 TYR 60 HE1 TYR 60 0.586 -25.286 15.937 488 HE2 TYR 60 HE2 TYR 60 0.551 -21.455 14.057 489 HH TYR 60 HH TYR 60 -1.410 -22.904 14.646 490 HA PRO 61 HA PRO 61 2.544 -21.941 10.062 491 HB2 PRO 61 2HB PRO 61 5.116 -21.390 8.622 492 HB3 PRO 61 3HB PRO 61 3.780 -20.293 8.993 493 HG2 PRO 61 2HG PRO 61 5.998 -20.195 10.431 494 HG3 PRO 61 3HG PRO 61 4.415 -20.060 11.225 495 HD2 PRO 61 2HD PRO 61 6.296 -22.388 11.127 496 HD3 PRO 61 3HD PRO 61 5.251 -21.836 12.450 497 H GLU 62 H GLU 62 5.314 -23.707 8.600 498 HA GLU 62 HA GLU 62 3.884 -24.259 6.193 499 HB2 GLU 62 2HB GLU 62 6.579 -24.644 7.169 500 HB3 GLU 62 3HB GLU 62 6.018 -26.098 6.360 501 HG2 GLU 62 2HG GLU 62 6.117 -23.316 5.199 502 HG3 GLU 62 3HG GLU 62 7.158 -24.677 4.785 503 H ILE 63 H ILE 63 4.283 -26.042 9.204 504 HA ILE 63 HA ILE 63 3.188 -28.491 8.223 505 HB ILE 63 HB ILE 63 3.381 -27.381 11.029 506 HG12 ILE 63 2HG1 ILE 63 4.914 -29.523 9.526 507 HG13 ILE 63 3HG1 ILE 63 5.521 -27.944 10.013 508 HG21 ILE 63 1HG2 ILE 63 2.453 -30.133 10.181 509 HG22 ILE 63 2HG2 ILE 63 1.457 -28.884 10.930 510 HG23 ILE 63 3HG2 ILE 63 2.777 -29.622 11.837 511 HD11 ILE 63 3HD1 ILE 63 6.332 -29.761 11.434 512 HD12 ILE 63 1HD1 ILE 63 4.674 -30.125 11.904 513 HD13 ILE 63 2HD1 ILE 63 5.394 -28.572 12.337 514 H ASN 64 H ASN 64 1.757 -25.655 9.841 515 HA ASN 64 HA ASN 64 -0.915 -26.513 9.844 516 HB2 ASN 64 2HB ASN 64 -0.134 -24.503 11.044 517 HB3 ASN 64 3HB ASN 64 0.140 -23.691 9.504 518 HD21 ASN 64 1HD2 ASN 64 -2.278 -24.872 11.727 519 HD22 ASN 64 2HD2 ASN 64 -3.602 -23.998 11.047 520 H LYS 65 H LYS 65 1.051 -25.060 7.311 521 HA LYS 65 HA LYS 65 -0.875 -24.677 5.311 522 HB2 LYS 65 2HB LYS 65 1.400 -23.852 5.067 523 HB3 LYS 65 3HB LYS 65 2.041 -25.487 5.101 524 HG2 LYS 65 2HG LYS 65 2.112 -24.929 2.852 525 HG3 LYS 65 3HG LYS 65 0.628 -25.873 2.982 526 HD2 LYS 65 2HD LYS 65 0.159 -23.966 1.620 527 HD3 LYS 65 3HD LYS 65 -0.629 -23.706 3.177 528 HE2 LYS 65 2HE LYS 65 0.513 -21.678 2.331 529 HE3 LYS 65 3HE LYS 65 1.160 -22.229 3.878 530 HZ1 LYS 65 3HZ LYS 65 2.904 -21.597 2.295 531 HZ2 LYS 65 1HZ LYS 65 2.381 -22.799 1.228 532 HZ3 LYS 65 2HZ LYS 65 3.020 -23.223 2.734 533 H PHE 66 H PHE 66 0.747 -27.626 6.382 534 HA PHE 66 HA PHE 66 -0.483 -29.224 4.297 535 HB2 PHE 66 2HB PHE 66 1.762 -29.804 5.159 536 HB3 PHE 66 3HB PHE 66 1.063 -30.109 6.747 537 HD1 PHE 66 HD2 PHE 66 1.106 -31.266 3.227 538 HD2 PHE 66 HD1 PHE 66 0.020 -32.178 7.248 539 HE1 PHE 66 HE2 PHE 66 0.629 -33.590 2.572 540 HE2 PHE 66 HE1 PHE 66 -0.460 -34.495 6.595 541 HZ PHE 66 HZ PHE 66 -0.156 -35.209 4.256 542 H ILE 67 H ILE 67 -1.064 -28.449 7.674 543 HA ILE 67 HA ILE 67 -2.935 -30.451 8.288 544 HB ILE 67 HB ILE 67 -2.710 -27.634 9.370 545 HG12 ILE 67 2HG1 ILE 67 -1.775 -30.297 10.488 546 HG13 ILE 67 3HG1 ILE 67 -0.735 -29.093 9.735 547 HG21 ILE 67 1HG2 ILE 67 -4.296 -29.959 10.476 548 HG22 ILE 67 2HG2 ILE 67 -4.967 -28.495 9.754 549 HG23 ILE 67 3HG2 ILE 67 -4.065 -28.396 11.265 550 HD11 ILE 67 3HD1 ILE 67 -0.571 -29.010 12.146 551 HD12 ILE 67 1HD1 ILE 67 -2.309 -28.737 12.277 552 HD13 ILE 67 2HD1 ILE 67 -1.278 -27.520 11.523 553 H ARG 68 H ARG 68 -3.375 -27.290 6.715 554 HA ARG 68 HA ARG 68 -6.168 -27.262 6.633 555 HB2 ARG 68 2HB ARG 68 -5.963 -25.725 4.719 556 HB3 ARG 68 3HB ARG 68 -4.860 -25.307 6.020 557 HG2 ARG 68 2HG ARG 68 -3.487 -25.038 4.225 558 HG3 ARG 68 3HG ARG 68 -3.153 -26.720 4.623 559 HD2 ARG 68 2HD ARG 68 -4.938 -27.327 2.910 560 HD3 ARG 68 3HD ARG 68 -4.882 -25.638 2.405 561 HE ARG 68 HE ARG 68 -2.362 -27.089 2.469 562 HH11 ARG 68 1HH1 ARG 68 -4.964 -25.872 0.560 563 HH12 ARG 68 2HH1 ARG 68 -4.099 -26.069 -0.927 564 HH21 ARG 68 1HH2 ARG 68 -1.274 -27.328 0.561 565 HH22 ARG 68 2HH2 ARG 68 -2.038 -26.879 -0.925 566 H ASP 69 H ASP 69 -3.865 -28.985 4.550 567 HA ASP 69 HA ASP 69 -5.745 -30.056 2.715 568 HB2 ASP 69 2HB ASP 69 -3.181 -31.321 3.742 569 HB3 ASP 69 3HB ASP 69 -4.056 -31.801 2.293 570 H SER 70 H SER 70 -4.533 -31.161 5.847 571 HA SER 70 HA SER 70 -5.715 -33.708 5.897 572 HB2 SER 70 2HB SER 70 -3.894 -32.938 7.418 573 HB3 SER 70 3HB SER 70 -5.068 -31.945 8.279 574 HG SER 70 HG SER 70 -5.695 -33.654 9.320 575 H LEU 71 H LEU 71 -7.121 -30.574 6.522 576 HA LEU 71 HA LEU 71 -9.501 -31.641 7.777 577 HB2 LEU 71 2HB LEU 71 -8.615 -28.918 6.904 578 HB3 LEU 71 3HB LEU 71 -10.317 -29.198 7.212 579 HG LEU 71 HG LEU 71 -9.238 -28.231 9.166 580 HD11 LEU 71 1HD1 LEU 71 -9.950 -29.836 10.841 581 HD12 LEU 71 2HD1 LEU 71 -9.959 -31.124 9.637 582 HD13 LEU 71 3HD1 LEU 71 -11.100 -29.784 9.506 583 HD21 LEU 71 3HD2 LEU 71 -7.532 -29.446 10.423 584 HD22 LEU 71 1HD2 LEU 71 -6.967 -29.040 8.803 585 HD23 LEU 71 2HD2 LEU 71 -7.480 -30.687 9.169 586 H GLU 72 H GLU 72 -8.461 -31.091 4.531 587 HA GLU 72 HA GLU 72 -11.045 -30.808 3.355 588 HB2 GLU 72 2HB GLU 72 -8.367 -31.516 2.153 589 HB3 GLU 72 3HB GLU 72 -9.824 -31.258 1.202 590 HG2 GLU 72 2HG GLU 72 -8.496 -29.222 2.988 591 HG3 GLU 72 3HG GLU 72 -8.399 -29.278 1.230 592 H HIS 73 H HIS 73 -11.250 -32.496 1.274 593 HA HIS 73 HA HIS 73 -12.267 -34.852 2.597 594 HB2 HIS 73 2HB HIS 73 -12.341 -34.070 -0.331 595 HB3 HIS 73 3HB HIS 73 -13.255 -35.384 0.406 596 HD1 HIS 73 HD1 HIS 73 -15.491 -34.786 1.402 597 HD2 HIS 73 HD2 HIS 73 -13.166 -31.436 0.613 598 HE1 HIS 73 HE1 HIS 73 -16.988 -32.818 1.814 599 HE2 HIS 73 HE2 HIS 73 -15.508 -30.811 1.502 600 H HIS 74 H HIS 74 -11.108 -36.624 2.932 601 HA HIS 74 HA HIS 74 -9.092 -37.463 0.950 602 HB2 HIS 74 2HB HIS 74 -7.665 -38.197 2.928 603 HB3 HIS 74 3HB HIS 74 -7.772 -36.461 2.654 604 HD1 HIS 74 HD1 HIS 74 -8.962 -35.048 4.439 605 HD2 HIS 74 HD2 HIS 74 -8.927 -39.116 5.283 606 HE1 HIS 74 HE1 HIS 74 -9.720 -35.250 6.820 607 HE2 HIS 74 HE2 HIS 74 -9.479 -37.688 7.366 608 H HIS 75 H HIS 75 -8.801 -39.696 0.713 609 HA HIS 75 HA HIS 75 -10.624 -41.399 2.294 610 HB2 HIS 75 2HB HIS 75 -10.125 -41.477 -0.684 611 HB3 HIS 75 3HB HIS 75 -10.871 -42.808 0.195 612 HD1 HIS 75 HD1 HIS 75 -13.197 -42.268 1.357 613 HD2 HIS 75 HD2 HIS 75 -11.842 -39.423 -1.347 614 HE1 HIS 75 HE1 HIS 75 -15.187 -40.834 0.844 615 HE2 HIS 75 HE2 HIS 75 -14.392 -39.260 -0.945 616 H HIS 76 H HIS 76 -8.889 -41.899 3.672 617 HA HIS 76 HA HIS 76 -7.337 -44.194 2.666 618 HB2 HIS 76 2HB HIS 76 -6.321 -41.995 4.491 619 HB3 HIS 76 3HB HIS 76 -5.535 -43.562 4.361 620 HD1 HIS 76 HD1 HIS 76 -3.809 -43.777 2.596 621 HD2 HIS 76 HD2 HIS 76 -6.303 -40.522 1.936 622 HE1 HIS 76 HE1 HIS 76 -2.806 -42.549 0.656 623 HE2 HIS 76 HE2 HIS 76 -4.204 -40.474 0.424 624 H HIS 77 H HIS 77 -8.315 -42.468 5.614 625 HA HIS 77 HA HIS 77 -9.730 -44.829 6.572 626 HB2 HIS 77 2HB HIS 77 -7.646 -45.175 7.690 627 HB3 HIS 77 3HB HIS 77 -7.488 -43.465 8.073 628 HD1 HIS 77 HD1 HIS 77 -9.216 -46.598 9.230 629 HD2 HIS 77 HD2 HIS 77 -8.860 -42.609 10.347 630 HE1 HIS 77 HE1 HIS 77 -10.192 -46.452 11.535 631 HE2 HIS 77 HE2 HIS 77 -10.095 -44.009 12.127 632 H HIS 78 H HIS 78 -11.668 -44.249 7.421 633 HA HIS 78 HA HIS 78 -12.350 -41.455 7.694 634 HB2 HIS 78 2HB HIS 78 -13.949 -43.972 8.202 635 HB3 HIS 78 3HB HIS 78 -14.602 -42.349 8.384 636 HD1 HIS 78 HD1 HIS 78 -14.186 -40.849 6.035 637 HD2 HIS 78 HD2 HIS 78 -14.465 -44.984 5.749 638 HE1 HIS 78 HE1 HIS 78 -14.798 -41.317 3.648 639 HE2 HIS 78 HE2 HIS 78 -15.151 -43.801 3.554 Start of MODEL 6 1 H1 MET 1 1H MET 1 12.984 -2.786 1.148 2 H2 MET 1 2H MET 1 11.374 -2.721 1.663 3 H3 MET 1 3H MET 1 11.871 -1.811 0.330 4 HA MET 1 HA MET 1 10.628 -3.730 -0.387 5 HB2 MET 1 2HB MET 1 13.591 -3.924 -1.000 6 HB3 MET 1 3HB MET 1 12.311 -4.681 -1.941 7 HG2 MET 1 2HG MET 1 11.391 -2.450 -2.444 8 HG3 MET 1 3HG MET 1 12.724 -1.721 -1.550 9 HE1 MET 1 3HE MET 1 11.695 -3.829 -4.693 10 HE2 MET 1 1HE MET 1 12.860 -4.892 -3.905 11 HE3 MET 1 2HE MET 1 13.255 -4.140 -5.451 12 H ALA 2 H ALA 2 12.923 -4.406 2.095 13 HA ALA 2 HA ALA 2 12.912 -7.254 1.907 14 HB1 ALA 2 3HB ALA 2 13.898 -7.205 4.143 15 HB2 ALA 2 1HB ALA 2 13.512 -5.489 4.285 16 HB3 ALA 2 2HB ALA 2 14.678 -6.035 3.080 17 H GLN 3 H GLN 3 11.371 -8.666 2.500 18 HA GLN 3 HA GLN 3 8.933 -7.650 3.732 19 HB2 GLN 3 2HB GLN 3 9.583 -10.368 2.576 20 HB3 GLN 3 3HB GLN 3 8.003 -9.877 3.170 21 HG2 GLN 3 2HG GLN 3 9.469 -8.582 0.878 22 HG3 GLN 3 3HG GLN 3 8.188 -9.782 0.718 23 HE21 GLN 3 1HE2 GLN 3 6.070 -9.193 1.222 24 HE22 GLN 3 2HE2 GLN 3 5.586 -7.539 1.317 25 H ILE 4 H ILE 4 9.312 -7.401 5.922 26 HA ILE 4 HA ILE 4 10.422 -9.525 7.522 27 HB ILE 4 HB ILE 4 8.872 -7.095 8.457 28 HG12 ILE 4 2HG1 ILE 4 10.850 -6.429 7.155 29 HG13 ILE 4 3HG1 ILE 4 11.069 -6.058 8.861 30 HG21 ILE 4 1HG2 ILE 4 9.983 -7.473 10.609 31 HG22 ILE 4 2HG2 ILE 4 10.758 -8.920 9.962 32 HG23 ILE 4 3HG2 ILE 4 9.005 -8.865 10.143 33 HD11 ILE 4 3HD1 ILE 4 12.465 -8.062 9.104 34 HD12 ILE 4 1HD1 ILE 4 13.104 -6.943 7.901 35 HD13 ILE 4 2HD1 ILE 4 12.257 -8.400 7.385 36 H ILE 5 H ILE 5 9.120 -11.313 7.029 37 HA ILE 5 HA ILE 5 6.254 -11.169 7.696 38 HB ILE 5 HB ILE 5 7.767 -13.326 6.193 39 HG12 ILE 5 2HG1 ILE 5 5.932 -11.157 5.125 40 HG13 ILE 5 3HG1 ILE 5 7.686 -11.163 4.977 41 HG21 ILE 5 1HG2 ILE 5 4.790 -12.926 6.540 42 HG22 ILE 5 2HG2 ILE 5 5.762 -14.177 7.313 43 HG23 ILE 5 3HG2 ILE 5 5.560 -14.176 5.561 44 HD11 ILE 5 3HD1 ILE 5 6.652 -11.876 2.914 45 HD12 ILE 5 1HD1 ILE 5 5.790 -13.163 3.757 46 HD13 ILE 5 2HD1 ILE 5 7.550 -13.212 3.633 47 H PHE 6 H PHE 6 5.350 -12.394 9.292 48 HA PHE 6 HA PHE 6 7.081 -14.314 10.730 49 HB2 PHE 6 2HB PHE 6 4.894 -12.536 11.844 50 HB3 PHE 6 3HB PHE 6 5.701 -13.808 12.757 51 HD1 PHE 6 HD2 PHE 6 8.162 -13.614 13.216 52 HD2 PHE 6 HD1 PHE 6 5.883 -10.400 11.588 53 HE1 PHE 6 HE2 PHE 6 9.928 -12.035 13.870 54 HE2 PHE 6 HE1 PHE 6 7.654 -8.817 12.240 55 HZ PHE 6 HZ PHE 6 9.675 -9.635 13.381 56 H ASN 7 H ASN 7 6.358 -16.362 10.936 57 HA ASN 7 HA ASN 7 3.627 -17.145 10.963 58 HB2 ASN 7 2HB ASN 7 3.691 -16.546 8.592 59 HB3 ASN 7 3HB ASN 7 5.088 -17.589 8.341 60 HD21 ASN 7 1HD2 ASN 7 1.673 -17.479 8.952 61 HD22 ASN 7 2HD2 ASN 7 1.344 -19.124 8.540 62 H GLU 8 H GLU 8 6.972 -18.003 10.447 63 HA GLU 8 HA GLU 8 6.967 -20.728 10.395 64 HB2 GLU 8 2HB GLU 8 9.228 -20.662 11.325 65 HB3 GLU 8 3HB GLU 8 8.986 -19.396 10.131 66 HG2 GLU 8 2HG GLU 8 8.995 -19.041 13.129 67 HG3 GLU 8 3HG GLU 8 10.287 -18.590 12.020 68 H GLU 9 H GLU 9 6.012 -22.183 11.645 69 HA GLU 9 HA GLU 9 6.061 -21.847 14.574 70 HB2 GLU 9 2HB GLU 9 4.274 -23.489 12.779 71 HB3 GLU 9 3HB GLU 9 4.358 -23.766 14.512 72 HG2 GLU 9 2HG GLU 9 3.556 -21.171 13.203 73 HG3 GLU 9 3HG GLU 9 2.444 -22.372 13.858 74 H TRP 10 H TRP 10 8.121 -22.574 15.006 75 HA TRP 10 HA TRP 10 8.900 -25.288 14.214 76 HB2 TRP 10 2HB TRP 10 10.399 -23.225 15.857 77 HB3 TRP 10 3HB TRP 10 11.057 -24.745 15.265 78 HD1 TRP 10 HD1 TRP 10 10.327 -21.190 14.191 79 HE1 TRP 10 HE1 TRP 10 11.293 -20.804 11.839 80 HE3 TRP 10 HE3 TRP 10 11.539 -26.015 13.012 81 HZ2 TRP 10 HZ2 TRP 10 12.413 -22.336 9.762 82 HZ3 TRP 10 HZ3 TRP 10 12.558 -26.467 10.817 83 HH2 TRP 10 HH2 TRP 10 12.984 -24.663 9.226 84 H MET 11 H MET 11 8.850 -27.021 15.598 85 HA MET 11 HA MET 11 8.732 -26.636 18.463 86 HB2 MET 11 2HB MET 11 6.580 -27.852 18.731 87 HB3 MET 11 3HB MET 11 6.408 -26.286 17.958 88 HG2 MET 11 2HG MET 11 6.352 -27.465 15.753 89 HG3 MET 11 3HG MET 11 6.312 -28.989 16.638 90 HE1 MET 11 3HE MET 11 4.428 -25.640 15.848 91 HE2 MET 11 1HE MET 11 4.587 -25.564 17.602 92 HE3 MET 11 2HE MET 11 2.995 -25.778 16.868 93 H VAL 12 H VAL 12 9.004 -28.569 19.679 94 HA VAL 12 HA VAL 12 10.468 -30.643 18.327 95 HB VAL 12 HB VAL 12 10.716 -31.666 20.546 96 HG11 VAL 12 1HG1 VAL 12 11.141 -28.671 20.577 97 HG12 VAL 12 2HG1 VAL 12 12.246 -29.872 19.908 98 HG13 VAL 12 3HG1 VAL 12 11.932 -29.834 21.643 99 HG21 VAL 12 3HG2 VAL 12 9.734 -30.614 22.539 100 HG22 VAL 12 1HG2 VAL 12 8.486 -31.197 21.438 101 HG23 VAL 12 2HG2 VAL 12 8.864 -29.475 21.510 102 H GLU 13 H GLU 13 9.897 -33.033 18.972 103 HA GLU 13 HA GLU 13 7.597 -33.695 17.526 104 HB2 GLU 13 2HB GLU 13 9.639 -35.125 17.928 105 HB3 GLU 13 3HB GLU 13 8.982 -35.498 19.517 106 HG2 GLU 13 2HG GLU 13 7.038 -36.534 18.504 107 HG3 GLU 13 3HG GLU 13 7.603 -36.079 16.896 108 H LYS 14 H LYS 14 8.090 -33.729 21.055 109 HA LYS 14 HA LYS 14 5.552 -34.704 21.771 110 HB2 LYS 14 2HB LYS 14 7.617 -34.469 23.244 111 HB3 LYS 14 3HB LYS 14 7.203 -32.768 23.405 112 HG2 LYS 14 2HG LYS 14 5.189 -34.864 24.113 113 HG3 LYS 14 3HG LYS 14 6.484 -34.461 25.239 114 HD2 LYS 14 2HD LYS 14 4.579 -32.438 24.057 115 HD3 LYS 14 3HD LYS 14 4.348 -33.212 25.628 116 HE2 LYS 14 2HE LYS 14 6.489 -32.266 26.387 117 HE3 LYS 14 3HE LYS 14 6.704 -31.492 24.815 118 HZ1 LYS 14 3HZ LYS 14 4.774 -30.148 25.219 119 HZ2 LYS 14 1HZ LYS 14 5.827 -29.987 26.532 120 HZ3 LYS 14 2HZ LYS 14 4.443 -30.950 26.667 121 H ALA 15 H ALA 15 6.664 -31.388 21.155 122 HA ALA 15 HA ALA 15 4.211 -30.134 21.926 123 HB1 ALA 15 3HB ALA 15 6.446 -29.105 20.179 124 HB2 ALA 15 1HB ALA 15 6.313 -28.903 21.926 125 HB3 ALA 15 2HB ALA 15 5.140 -28.131 20.858 126 H LEU 16 H LEU 16 5.560 -31.290 18.887 127 HA LEU 16 HA LEU 16 3.662 -30.235 17.108 128 HB2 LEU 16 2HB LEU 16 5.899 -31.241 16.547 129 HB3 LEU 16 3HB LEU 16 5.209 -32.824 16.823 130 HG LEU 16 HG LEU 16 5.441 -32.100 14.406 131 HD11 LEU 16 1HD1 LEU 16 3.326 -33.053 13.695 132 HD12 LEU 16 2HD1 LEU 16 2.657 -32.823 15.310 133 HD13 LEU 16 3HD1 LEU 16 3.987 -33.954 15.059 134 HD21 LEU 16 3HD2 LEU 16 3.754 -30.601 13.486 135 HD22 LEU 16 1HD2 LEU 16 4.742 -29.770 14.687 136 HD23 LEU 16 2HD2 LEU 16 3.114 -30.305 15.102 137 H MET 17 H MET 17 3.774 -33.417 18.728 138 HA MET 17 HA MET 17 1.437 -34.455 17.562 139 HB2 MET 17 2HB MET 17 1.469 -36.129 19.334 140 HB3 MET 17 3HB MET 17 3.085 -35.856 18.707 141 HG2 MET 17 2HG MET 17 3.580 -34.437 20.653 142 HG3 MET 17 3HG MET 17 1.971 -34.781 21.288 143 HE1 MET 17 3HE MET 17 4.461 -37.224 19.409 144 HE2 MET 17 1HE MET 17 5.299 -37.948 20.781 145 HE3 MET 17 2HE MET 17 5.510 -36.234 20.423 146 H VAL 18 H VAL 18 1.839 -32.268 20.263 147 HA VAL 18 HA VAL 18 -0.885 -32.507 21.193 148 HB VAL 18 HB VAL 18 1.209 -30.397 21.795 149 HG11 VAL 18 1HG1 VAL 18 -0.213 -29.790 23.705 150 HG12 VAL 18 2HG1 VAL 18 -1.439 -30.934 23.158 151 HG13 VAL 18 3HG1 VAL 18 -1.044 -29.525 22.173 152 HG21 VAL 18 3HG2 VAL 18 1.875 -32.618 22.554 153 HG22 VAL 18 1HG2 VAL 18 0.325 -32.827 23.370 154 HG23 VAL 18 2HG2 VAL 18 1.461 -31.603 23.935 155 H ARG 19 H ARG 19 0.935 -30.042 19.361 156 HA ARG 19 HA ARG 19 -1.253 -28.309 18.917 157 HB2 ARG 19 2HB ARG 19 1.388 -28.665 17.509 158 HB3 ARG 19 3HB ARG 19 0.218 -27.461 16.987 159 HG2 ARG 19 2HG ARG 19 1.393 -27.609 19.764 160 HG3 ARG 19 3HG ARG 19 1.977 -26.554 18.476 161 HD2 ARG 19 2HD ARG 19 -0.184 -25.430 18.384 162 HD3 ARG 19 3HD ARG 19 -0.822 -26.518 19.615 163 HE ARG 19 HE ARG 19 1.316 -25.382 20.831 164 HH11 ARG 19 1HH1 ARG 19 -1.391 -24.071 19.142 165 HH12 ARG 19 2HH1 ARG 19 -1.472 -22.668 20.152 166 HH21 ARG 19 1HH2 ARG 19 1.189 -23.574 22.120 167 HH22 ARG 19 2HH2 ARG 19 -0.029 -22.387 21.808 168 H THR 20 H THR 20 -0.274 -31.218 17.244 169 HA THR 20 HA THR 20 -2.147 -30.674 15.039 170 HB THR 20 HB THR 20 -1.216 -32.677 13.962 171 HG1 THR 20 HG1 THR 20 0.854 -32.949 15.790 172 HG21 THR 20 3HG2 THR 20 1.055 -31.846 13.565 173 HG22 THR 20 1HG2 THR 20 0.931 -30.808 14.985 174 HG23 THR 20 2HG2 THR 20 -0.103 -30.516 13.586 175 H GLY 21 H GLY 21 -1.750 -32.777 17.826 176 HA2 GLY 21 2HA GLY 21 -3.649 -33.796 18.884 177 HA3 GLY 21 3HA GLY 21 -4.438 -33.884 17.317 178 H LEU 22 H LEU 22 -1.589 -34.851 16.390 179 HA LEU 22 HA LEU 22 -2.220 -37.618 16.312 180 HB2 LEU 22 2HB LEU 22 0.234 -36.033 15.584 181 HB3 LEU 22 3HB LEU 22 0.240 -37.783 15.502 182 HG LEU 22 HG LEU 22 -1.588 -37.721 13.852 183 HD11 LEU 22 1HD1 LEU 22 -2.658 -35.632 14.559 184 HD12 LEU 22 2HD1 LEU 22 -2.289 -35.625 12.835 185 HD13 LEU 22 3HD1 LEU 22 -1.273 -34.720 13.957 186 HD21 LEU 22 3HD2 LEU 22 0.723 -37.772 13.082 187 HD22 LEU 22 1HD2 LEU 22 0.796 -36.009 13.123 188 HD23 LEU 22 2HD2 LEU 22 -0.275 -36.823 11.982 189 H GLY 23 H GLY 23 -0.962 -39.393 17.152 190 HA2 GLY 23 2HA GLY 23 0.318 -38.829 19.753 191 HA3 GLY 23 3HA GLY 23 -0.334 -40.381 19.247 192 H ALA 24 H ALA 24 2.241 -40.087 20.347 193 HA ALA 24 HA ALA 24 4.364 -39.766 18.586 194 HB1 ALA 24 3HB ALA 24 4.216 -41.737 20.873 195 HB2 ALA 24 1HB ALA 24 4.610 -40.025 21.020 196 HB3 ALA 24 2HB ALA 24 5.685 -41.103 20.130 197 H ARG 25 H ARG 25 2.441 -42.675 19.220 198 HA ARG 25 HA ARG 25 3.891 -44.514 17.687 199 HB2 ARG 25 2HB ARG 25 1.905 -45.904 17.726 200 HB3 ARG 25 3HB ARG 25 2.091 -45.117 19.288 201 HG2 ARG 25 2HG ARG 25 0.353 -43.520 18.744 202 HG3 ARG 25 3HG ARG 25 0.224 -44.175 17.111 203 HD2 ARG 25 2HD ARG 25 -0.472 -45.570 19.697 204 HD3 ARG 25 3HD ARG 25 -1.587 -45.039 18.438 205 HE ARG 25 HE ARG 25 0.449 -47.071 17.858 206 HH11 ARG 25 1HH1 ARG 25 -2.854 -46.119 17.997 207 HH12 ARG 25 2HH1 ARG 25 -3.411 -47.586 17.278 208 HH21 ARG 25 1HH2 ARG 25 -0.278 -48.933 16.929 209 HH22 ARG 25 2HH2 ARG 25 -1.974 -49.164 16.699 210 H GLN 26 H GLN 26 1.562 -42.088 16.708 211 HA GLN 26 HA GLN 26 1.253 -43.182 14.035 212 HB2 GLN 26 2HB GLN 26 -0.596 -42.008 15.310 213 HB3 GLN 26 3HB GLN 26 0.280 -40.503 15.062 214 HG2 GLN 26 2HG GLN 26 0.047 -40.728 12.660 215 HG3 GLN 26 3HG GLN 26 -0.740 -42.293 12.859 216 HE21 GLN 26 1HE2 GLN 26 -1.763 -39.917 11.568 217 HE22 GLN 26 2HE2 GLN 26 -3.213 -39.486 12.399 218 H ILE 27 H ILE 27 3.001 -40.548 15.614 219 HA ILE 27 HA ILE 27 3.938 -39.276 13.259 220 HB ILE 27 HB ILE 27 5.194 -39.353 16.011 221 HG12 ILE 27 2HG1 ILE 27 3.369 -37.316 14.698 222 HG13 ILE 27 3HG1 ILE 27 2.932 -38.404 16.012 223 HG21 ILE 27 1HG2 ILE 27 5.757 -37.504 13.684 224 HG22 ILE 27 2HG2 ILE 27 6.852 -38.722 14.342 225 HG23 ILE 27 3HG2 ILE 27 6.404 -37.322 15.315 226 HD11 ILE 27 3HD1 ILE 27 4.549 -37.286 17.468 227 HD12 ILE 27 1HD1 ILE 27 3.344 -36.165 16.834 228 HD13 ILE 27 2HD1 ILE 27 4.969 -36.191 16.149 229 H GLU 28 H GLU 28 5.512 -41.688 15.401 230 HA GLU 28 HA GLU 28 7.858 -42.011 13.907 231 HB2 GLU 28 2HB GLU 28 8.137 -44.148 15.067 232 HB3 GLU 28 3HB GLU 28 7.613 -42.888 16.175 233 HG2 GLU 28 2HG GLU 28 5.319 -43.750 16.055 234 HG3 GLU 28 3HG GLU 28 5.866 -45.034 14.976 235 H SER 29 H SER 29 4.655 -43.191 13.325 236 HA SER 29 HA SER 29 5.272 -45.181 11.399 237 HB2 SER 29 2HB SER 29 3.031 -45.023 12.406 238 HB3 SER 29 3HB SER 29 2.790 -43.450 11.651 239 HG SER 29 HG SER 29 1.934 -44.634 10.121 240 H TYR 30 H TYR 30 4.248 -41.770 10.972 241 HA TYR 30 HA TYR 30 4.605 -41.759 8.162 242 HB2 TYR 30 2HB TYR 30 4.581 -39.417 10.080 243 HB3 TYR 30 3HB TYR 30 4.387 -39.312 8.331 244 HD1 TYR 30 HD2 TYR 30 2.602 -41.746 7.984 245 HD2 TYR 30 HD1 TYR 30 2.491 -38.523 10.767 246 HE1 TYR 30 HE2 TYR 30 0.180 -42.057 8.240 247 HE2 TYR 30 HE1 TYR 30 0.069 -38.832 11.029 248 HH TYR 30 HH TYR 30 -1.831 -39.824 9.563 249 H ARG 31 H ARG 31 6.836 -41.235 10.785 250 HA ARG 31 HA ARG 31 8.880 -39.873 9.432 251 HB2 ARG 31 2HB ARG 31 8.985 -41.817 11.746 252 HB3 ARG 31 3HB ARG 31 10.406 -40.961 11.159 253 HG2 ARG 31 2HG ARG 31 9.378 -38.824 11.688 254 HG3 ARG 31 3HG ARG 31 7.896 -39.636 12.190 255 HD2 ARG 31 2HD ARG 31 9.242 -38.988 14.118 256 HD3 ARG 31 3HD ARG 31 9.092 -40.739 14.007 257 HE ARG 31 HE ARG 31 11.461 -39.947 12.727 258 HH11 ARG 31 1HH1 ARG 31 10.108 -40.152 15.893 259 HH12 ARG 31 2HH1 ARG 31 11.648 -40.333 16.653 260 HH21 ARG 31 1HH2 ARG 31 13.429 -40.192 13.727 261 HH22 ARG 31 2HH2 ARG 31 13.501 -40.370 15.447 262 H GLN 32 H GLN 32 7.705 -42.992 8.829 263 HA GLN 32 HA GLN 32 10.025 -44.376 8.044 264 HB2 GLN 32 2HB GLN 32 8.554 -45.886 6.870 265 HB3 GLN 32 3HB GLN 32 7.792 -45.417 8.384 266 HG2 GLN 32 2HG GLN 32 6.430 -43.760 7.139 267 HG3 GLN 32 3HG GLN 32 7.139 -44.352 5.638 268 HE21 GLN 32 1HE2 GLN 32 7.135 -47.143 6.591 269 HE22 GLN 32 2HE2 GLN 32 5.491 -47.656 6.504 270 H GLY 33 H GLY 33 8.355 -41.764 6.486 271 HA2 GLY 33 2HA GLY 33 10.285 -41.348 4.517 272 HA3 GLY 33 3HA GLY 33 9.049 -42.353 3.785 273 H ALA 34 H ALA 34 7.071 -40.770 5.660 274 HA ALA 34 HA ALA 34 6.253 -38.916 3.655 275 HB1 ALA 34 3HB ALA 34 4.464 -38.312 5.182 276 HB2 ALA 34 1HB ALA 34 5.292 -39.120 6.514 277 HB3 ALA 34 2HB ALA 34 4.668 -40.064 5.160 278 H TRP 35 H TRP 35 8.147 -38.615 6.576 279 HA TRP 35 HA TRP 35 8.057 -35.768 6.764 280 HB2 TRP 35 2HB TRP 35 9.661 -37.947 8.034 281 HB3 TRP 35 3HB TRP 35 10.267 -36.303 8.143 282 HD1 TRP 35 HD1 TRP 35 9.939 -36.486 10.804 283 HE1 TRP 35 HE1 TRP 35 7.882 -36.114 12.293 284 HE3 TRP 35 HE3 TRP 35 6.252 -36.834 7.256 285 HZ2 TRP 35 HZ2 TRP 35 5.086 -35.982 12.022 286 HZ3 TRP 35 HZ3 TRP 35 3.916 -36.566 7.964 287 HH2 TRP 35 HH2 TRP 35 3.344 -36.149 10.299 288 H ILE 36 H ILE 36 8.753 -34.586 5.071 289 HA ILE 36 HA ILE 36 11.100 -35.342 3.527 290 HB ILE 36 HB ILE 36 9.348 -32.881 3.255 291 HG12 ILE 36 2HG1 ILE 36 9.246 -35.471 1.675 292 HG13 ILE 36 3HG1 ILE 36 8.114 -35.036 2.950 293 HG21 ILE 36 1HG2 ILE 36 11.545 -32.596 2.240 294 HG22 ILE 36 2HG2 ILE 36 10.306 -32.733 0.993 295 HG23 ILE 36 3HG2 ILE 36 11.351 -34.108 1.351 296 HD11 ILE 36 3HD1 ILE 36 7.180 -34.625 0.743 297 HD12 ILE 36 1HD1 ILE 36 8.515 -33.533 0.370 298 HD13 ILE 36 2HD1 ILE 36 7.367 -33.120 1.643 299 H GLU 37 H GLU 37 13.107 -34.716 4.060 300 HA GLU 37 HA GLU 37 13.762 -33.001 6.185 301 HB2 GLU 37 2HB GLU 37 16.059 -33.215 5.465 302 HB3 GLU 37 3HB GLU 37 15.257 -34.765 5.256 303 HG2 GLU 37 2HG GLU 37 15.100 -34.461 2.897 304 HG3 GLU 37 3HG GLU 37 15.633 -32.787 3.018 305 H GLY 38 H GLY 38 14.618 -30.903 6.261 306 HA2 GLY 38 2HA GLY 38 15.070 -28.741 5.600 307 HA3 GLY 38 3HA GLY 38 14.970 -29.267 3.930 308 H VAL 39 H VAL 39 12.377 -30.170 3.776 309 HA VAL 39 HA VAL 39 10.944 -27.676 3.630 310 HB VAL 39 HB VAL 39 9.948 -30.455 2.953 311 HG11 VAL 39 1HG1 VAL 39 8.166 -28.802 3.164 312 HG12 VAL 39 2HG1 VAL 39 8.377 -29.277 1.480 313 HG13 VAL 39 3HG1 VAL 39 9.007 -27.729 2.044 314 HG21 VAL 39 3HG2 VAL 39 10.609 -29.964 0.638 315 HG22 VAL 39 1HG2 VAL 39 12.002 -29.988 1.721 316 HG23 VAL 39 2HG2 VAL 39 11.341 -28.449 1.168 317 H HIS 40 H HIS 40 10.056 -30.854 5.065 318 HA HIS 40 HA HIS 40 8.007 -29.545 6.672 319 HB2 HIS 40 2HB HIS 40 8.728 -32.473 6.393 320 HB3 HIS 40 3HB HIS 40 7.379 -31.859 7.339 321 HD1 HIS 40 HD1 HIS 40 7.043 -29.702 4.678 322 HD2 HIS 40 HD2 HIS 40 6.576 -33.830 4.962 323 HE1 HIS 40 HE1 HIS 40 5.581 -30.356 2.750 324 HE2 HIS 40 HE2 HIS 40 5.203 -32.821 3.015 325 H PHE 41 H PHE 41 11.222 -30.720 7.107 326 HA PHE 41 HA PHE 41 11.394 -29.520 9.695 327 HB2 PHE 41 2HB PHE 41 11.878 -31.424 11.052 328 HB3 PHE 41 3HB PHE 41 10.387 -31.807 10.206 329 HD1 PHE 41 HD1 PHE 41 10.644 -33.194 8.002 330 HD2 PHE 41 HD2 PHE 41 13.634 -32.938 11.027 331 HE1 PHE 41 HE1 PHE 41 11.677 -35.265 7.164 332 HE2 PHE 41 HE2 PHE 41 14.660 -35.007 10.195 333 HZ PHE 41 HZ PHE 41 13.687 -36.171 8.257 334 H LYS 42 H LYS 42 13.582 -29.102 10.250 335 HA LYS 42 HA LYS 42 15.569 -30.106 8.307 336 HB2 LYS 42 2HB LYS 42 16.644 -27.924 8.235 337 HB3 LYS 42 3HB LYS 42 14.971 -27.809 7.706 338 HG2 LYS 42 2HG LYS 42 14.306 -26.796 9.761 339 HG3 LYS 42 3HG LYS 42 15.870 -27.133 10.503 340 HD2 LYS 42 2HD LYS 42 15.706 -24.782 9.860 341 HD3 LYS 42 3HD LYS 42 16.957 -25.602 8.924 342 HE2 LYS 42 2HE LYS 42 15.367 -25.818 7.042 343 HE3 LYS 42 3HE LYS 42 14.159 -24.946 7.988 344 HZ1 LYS 42 3HZ LYS 42 16.772 -23.888 7.065 345 HZ2 LYS 42 1HZ LYS 42 15.698 -23.050 8.067 346 HZ3 LYS 42 2HZ LYS 42 15.249 -23.449 6.490 347 H ARG 43 H ARG 43 17.795 -29.979 8.988 348 HA ARG 43 HA ARG 43 18.210 -30.793 11.706 349 HB2 ARG 43 2HB ARG 43 20.590 -30.956 11.052 350 HB3 ARG 43 3HB ARG 43 19.534 -31.776 9.908 351 HG2 ARG 43 2HG ARG 43 19.677 -29.830 8.403 352 HG3 ARG 43 3HG ARG 43 20.776 -29.049 9.540 353 HD2 ARG 43 2HD ARG 43 22.024 -30.075 7.727 354 HD3 ARG 43 3HD ARG 43 22.376 -30.894 9.249 355 HE ARG 43 HE ARG 43 20.869 -32.678 8.494 356 HH11 ARG 43 1HH1 ARG 43 22.047 -30.489 6.105 357 HH12 ARG 43 2HH1 ARG 43 21.915 -31.645 4.830 358 HH21 ARG 43 1HH2 ARG 43 20.700 -34.140 6.854 359 HH22 ARG 43 2HH2 ARG 43 21.175 -33.696 5.253 360 H VAL 44 H VAL 44 18.945 -29.627 13.419 361 HA VAL 44 HA VAL 44 19.852 -26.853 12.950 362 HB VAL 44 HB VAL 44 18.026 -27.818 15.174 363 HG11 VAL 44 1HG1 VAL 44 19.158 -25.056 14.684 364 HG12 VAL 44 2HG1 VAL 44 19.553 -26.123 16.032 365 HG13 VAL 44 3HG1 VAL 44 17.925 -25.460 15.881 366 HG21 VAL 44 3HG2 VAL 44 16.363 -26.331 14.165 367 HG22 VAL 44 1HG2 VAL 44 16.896 -27.558 13.013 368 HG23 VAL 44 2HG2 VAL 44 17.504 -25.907 12.889 369 H SER 45 H SER 45 21.406 -26.037 14.427 370 HA SER 45 HA SER 45 23.499 -27.701 15.078 371 HB2 SER 45 2HB SER 45 22.818 -25.109 16.495 372 HB3 SER 45 3HB SER 45 24.410 -25.863 16.408 373 HG SER 45 HG SER 45 24.684 -24.974 14.530 374 HA PRO 46 HA PRO 46 22.380 -30.145 18.575 375 HB2 PRO 46 2HB PRO 46 25.163 -29.592 19.521 376 HB3 PRO 46 3HB PRO 46 24.332 -31.138 19.311 377 HG2 PRO 46 2HG PRO 46 26.158 -30.346 17.550 378 HG3 PRO 46 3HG PRO 46 24.676 -31.158 17.008 379 HD2 PRO 46 2HD PRO 46 25.397 -28.257 16.899 380 HD3 PRO 46 3HD PRO 46 24.499 -29.243 15.726 381 H SER 47 H SER 47 21.229 -29.571 20.342 382 HA SER 47 HA SER 47 21.301 -27.104 21.635 383 HB2 SER 47 2HB SER 47 20.443 -29.787 22.763 384 HB3 SER 47 3HB SER 47 20.089 -28.227 23.508 385 HG SER 47 HG SER 47 18.449 -28.090 22.216 386 H GLY 48 H GLY 48 23.025 -30.096 22.468 387 HA2 GLY 48 2HA GLY 48 24.583 -28.702 24.522 388 HA3 GLY 48 3HA GLY 48 24.669 -30.413 24.127 389 H GLU 49 H GLU 49 27.035 -29.132 24.458 390 HA GLU 49 HA GLU 49 28.075 -27.866 22.146 391 HB2 GLU 49 2HB GLU 49 30.270 -28.178 23.173 392 HB3 GLU 49 3HB GLU 49 29.099 -27.618 24.359 393 HG2 GLU 49 2HG GLU 49 28.902 -29.817 25.299 394 HG3 GLU 49 3HG GLU 49 29.903 -30.501 24.019 395 H LYS 50 H LYS 50 27.779 -31.245 23.019 396 HA LYS 50 HA LYS 50 29.011 -32.004 20.471 397 HB2 LYS 50 2HB LYS 50 30.380 -33.735 21.566 398 HB3 LYS 50 3HB LYS 50 30.818 -32.113 22.081 399 HG2 LYS 50 2HG LYS 50 29.263 -32.562 24.099 400 HG3 LYS 50 3HG LYS 50 29.398 -34.258 23.626 401 HD2 LYS 50 2HD LYS 50 31.655 -32.393 24.381 402 HD3 LYS 50 3HD LYS 50 31.062 -33.769 25.309 403 HE2 LYS 50 2HE LYS 50 31.830 -35.303 23.596 404 HE3 LYS 50 3HE LYS 50 32.320 -33.959 22.566 405 HZ1 LYS 50 3HZ LYS 50 34.202 -34.914 23.726 406 HZ2 LYS 50 1HZ LYS 50 33.476 -34.612 25.222 407 HZ3 LYS 50 2HZ LYS 50 33.946 -33.322 24.233 408 H THR 51 H THR 51 26.250 -32.008 21.180 409 HA THR 51 HA THR 51 25.358 -34.655 21.762 410 HB THR 51 HB THR 51 23.838 -32.650 20.091 411 HG1 THR 51 HG1 THR 51 24.021 -32.833 22.941 412 HG21 THR 51 3HG2 THR 51 21.866 -33.724 21.125 413 HG22 THR 51 1HG2 THR 51 22.938 -34.858 21.948 414 HG23 THR 51 2HG2 THR 51 22.831 -34.864 20.186 415 H LEU 52 H LEU 52 24.664 -36.296 20.337 416 HA LEU 52 HA LEU 52 26.406 -36.614 18.109 417 HB2 LEU 52 2HB LEU 52 24.123 -38.289 19.129 418 HB3 LEU 52 3HB LEU 52 25.169 -38.781 17.807 419 HG LEU 52 HG LEU 52 25.935 -39.898 19.772 420 HD11 LEU 52 1HD1 LEU 52 27.754 -37.564 19.190 421 HD12 LEU 52 2HD1 LEU 52 27.709 -39.107 18.333 422 HD13 LEU 52 3HD1 LEU 52 28.224 -39.050 20.018 423 HD21 LEU 52 3HD2 LEU 52 26.602 -38.706 21.820 424 HD22 LEU 52 1HD2 LEU 52 24.884 -38.519 21.471 425 HD23 LEU 52 2HD2 LEU 52 26.001 -37.197 21.130 426 H ARG 53 H ARG 53 22.815 -36.675 18.207 427 HA ARG 53 HA ARG 53 22.771 -36.335 15.304 428 HB2 ARG 53 2HB ARG 53 20.529 -36.846 17.271 429 HB3 ARG 53 3HB ARG 53 20.345 -36.784 15.519 430 HG2 ARG 53 2HG ARG 53 21.889 -38.677 15.297 431 HG3 ARG 53 3HG ARG 53 22.041 -38.751 17.054 432 HD2 ARG 53 2HD ARG 53 19.654 -39.245 17.244 433 HD3 ARG 53 3HD ARG 53 19.482 -39.130 15.490 434 HE ARG 53 HE ARG 53 21.466 -41.025 16.194 435 HH11 ARG 53 1HH1 ARG 53 18.043 -40.625 16.084 436 HH12 ARG 53 2HH1 ARG 53 17.754 -42.316 15.859 437 HH21 ARG 53 1HH2 ARG 53 21.080 -43.174 15.908 438 HH22 ARG 53 2HH2 ARG 53 19.448 -43.738 15.772 439 H GLY 54 H GLY 54 23.178 -34.174 17.593 440 HA2 GLY 54 2HA GLY 54 22.877 -31.901 17.691 441 HA3 GLY 54 3HA GLY 54 22.232 -31.992 16.062 442 H THR 55 H THR 55 20.429 -30.778 16.147 443 HA THR 55 HA THR 55 18.310 -31.614 18.026 444 HB THR 55 HB THR 55 18.943 -28.724 17.333 445 HG1 THR 55 HG1 THR 55 19.092 -29.000 19.893 446 HG21 THR 55 3HG2 THR 55 16.535 -29.125 17.653 447 HG22 THR 55 1HG2 THR 55 17.205 -28.174 18.980 448 HG23 THR 55 2HG2 THR 55 16.870 -29.890 19.207 449 H THR 56 H THR 56 16.266 -31.740 17.130 450 HA THR 56 HA THR 56 16.003 -30.969 14.287 451 HB THR 56 HB THR 56 14.838 -33.444 15.595 452 HG1 THR 56 HG1 THR 56 16.834 -33.262 13.565 453 HG21 THR 56 3HG2 THR 56 14.722 -32.487 12.724 454 HG22 THR 56 1HG2 THR 56 13.364 -32.575 13.851 455 HG23 THR 56 2HG2 THR 56 14.152 -34.052 13.302 456 H TRP 57 H TRP 57 14.476 -29.495 13.969 457 HA TRP 57 HA TRP 57 12.151 -29.390 15.790 458 HB2 TRP 57 2HB TRP 57 13.342 -27.220 14.040 459 HB3 TRP 57 3HB TRP 57 11.866 -27.041 14.982 460 HD1 TRP 57 HD1 TRP 57 15.663 -27.468 15.460 461 HE1 TRP 57 HE1 TRP 57 16.298 -26.550 17.778 462 HE3 TRP 57 HE3 TRP 57 10.979 -26.515 17.265 463 HZ2 TRP 57 HZ2 TRP 57 14.991 -25.569 20.069 464 HZ3 TRP 57 HZ3 TRP 57 10.759 -25.590 19.538 465 HH2 TRP 57 HH2 TRP 57 12.728 -25.127 20.908 466 H TYR 58 H TYR 58 10.087 -29.467 14.979 467 HA TYR 58 HA TYR 58 9.808 -30.239 12.158 468 HB2 TYR 58 2HB TYR 58 7.876 -30.520 14.474 469 HB3 TYR 58 3HB TYR 58 7.591 -31.101 12.838 470 HD1 TYR 58 HD2 TYR 58 8.860 -33.030 11.962 471 HD2 TYR 58 HD1 TYR 58 9.333 -31.729 15.993 472 HE1 TYR 58 HE2 TYR 58 9.920 -35.174 12.527 473 HE2 TYR 58 HE1 TYR 58 10.403 -33.871 16.561 474 HH TYR 58 HH TYR 58 10.323 -36.287 15.605 475 H ASN 59 H ASN 59 8.569 -29.125 10.717 476 HA ASN 59 HA ASN 59 7.636 -26.468 11.456 477 HB2 ASN 59 2HB ASN 59 7.692 -27.898 8.784 478 HB3 ASN 59 3HB ASN 59 7.184 -26.228 9.014 479 HD21 ASN 59 1HD2 ASN 59 8.723 -24.666 9.423 480 HD22 ASN 59 2HD2 ASN 59 10.407 -24.950 9.196 481 H TYR 60 H TYR 60 5.693 -26.435 12.481 482 HA TYR 60 HA TYR 60 3.643 -28.280 12.315 483 HB2 TYR 60 2HB TYR 60 3.572 -26.711 14.094 484 HB3 TYR 60 3HB TYR 60 3.545 -25.340 12.991 485 HD1 TYR 60 HD1 TYR 60 1.517 -28.257 14.137 486 HD2 TYR 60 HD2 TYR 60 1.489 -24.419 12.277 487 HE1 TYR 60 HE1 TYR 60 -0.941 -28.246 14.191 488 HE2 TYR 60 HE2 TYR 60 -0.967 -24.404 12.336 489 HH TYR 60 HH TYR 60 -2.778 -26.619 14.157 490 HA PRO 61 HA PRO 61 1.344 -25.570 8.936 491 HB2 PRO 61 2HB PRO 61 3.053 -24.196 7.254 492 HB3 PRO 61 3HB PRO 61 2.188 -23.473 8.614 493 HG2 PRO 61 2HG PRO 61 5.018 -24.463 8.479 494 HG3 PRO 61 3HG PRO 61 4.382 -22.981 9.224 495 HD2 PRO 61 2HD PRO 61 5.000 -25.117 10.714 496 HD3 PRO 61 3HD PRO 61 3.584 -24.113 11.095 497 H GLU 62 H GLU 62 4.515 -26.983 8.400 498 HA GLU 62 HA GLU 62 3.915 -27.914 5.738 499 HB2 GLU 62 2HB GLU 62 6.224 -28.360 7.621 500 HB3 GLU 62 3HB GLU 62 6.111 -29.173 6.065 501 HG2 GLU 62 2HG GLU 62 6.168 -26.188 6.484 502 HG3 GLU 62 3HG GLU 62 7.522 -27.185 5.949 503 H ILE 63 H ILE 63 4.114 -29.398 8.962 504 HA ILE 63 HA ILE 63 3.415 -32.012 8.042 505 HB ILE 63 HB ILE 63 3.208 -30.805 10.814 506 HG12 ILE 63 2HG1 ILE 63 5.304 -32.583 9.524 507 HG13 ILE 63 3HG1 ILE 63 5.501 -30.882 9.932 508 HG21 ILE 63 1HG2 ILE 63 3.041 -33.712 9.987 509 HG22 ILE 63 2HG2 ILE 63 1.696 -32.731 10.571 510 HG23 ILE 63 3HG2 ILE 63 3.046 -33.102 11.642 511 HD11 ILE 63 3HD1 ILE 63 5.273 -31.442 12.305 512 HD12 ILE 63 1HD1 ILE 63 6.613 -32.296 11.543 513 HD13 ILE 63 2HD1 ILE 63 5.106 -33.146 11.877 514 H ASN 64 H ASN 64 1.557 -29.241 9.240 515 HA ASN 64 HA ASN 64 -0.998 -30.409 9.204 516 HB2 ASN 64 2HB ASN 64 -0.640 -28.214 10.197 517 HB3 ASN 64 3HB ASN 64 -0.156 -27.550 8.640 518 HD21 ASN 64 1HD2 ASN 64 -2.843 -28.686 10.551 519 HD22 ASN 64 2HD2 ASN 64 -4.081 -27.999 9.562 520 H LYS 65 H LYS 65 0.929 -28.920 6.629 521 HA LYS 65 HA LYS 65 -0.837 -29.003 4.496 522 HB2 LYS 65 2HB LYS 65 1.422 -28.025 4.400 523 HB3 LYS 65 3HB LYS 65 2.128 -29.630 4.496 524 HG2 LYS 65 2HG LYS 65 1.040 -30.183 2.327 525 HG3 LYS 65 3HG LYS 65 0.484 -28.512 2.224 526 HD2 LYS 65 2HD LYS 65 3.374 -29.398 2.387 527 HD3 LYS 65 3HD LYS 65 2.541 -28.883 0.920 528 HE2 LYS 65 2HE LYS 65 2.236 -26.659 1.822 529 HE3 LYS 65 3HE LYS 65 2.914 -27.156 3.371 530 HZ1 LYS 65 3HZ LYS 65 5.032 -27.486 2.352 531 HZ2 LYS 65 1HZ LYS 65 4.495 -25.938 1.947 532 HZ3 LYS 65 2HZ LYS 65 4.411 -27.187 0.810 533 H PHE 66 H PHE 66 1.030 -31.625 5.939 534 HA PHE 66 HA PHE 66 0.203 -33.612 4.024 535 HB2 PHE 66 2HB PHE 66 2.322 -33.917 5.128 536 HB3 PHE 66 3HB PHE 66 1.579 -33.789 6.716 537 HD1 PHE 66 HD2 PHE 66 1.783 -35.933 3.689 538 HD2 PHE 66 HD1 PHE 66 0.758 -35.701 7.819 539 HE1 PHE 66 HE2 PHE 66 1.549 -38.381 3.769 540 HE2 PHE 66 HE1 PHE 66 0.529 -38.146 7.905 541 HZ PHE 66 HZ PHE 66 0.922 -39.491 5.878 542 H ILE 67 H ILE 67 -0.638 -32.883 7.410 543 HA ILE 67 HA ILE 67 -2.474 -35.026 7.709 544 HB ILE 67 HB ILE 67 -2.316 -32.478 9.339 545 HG12 ILE 67 2HG1 ILE 67 -0.909 -35.129 9.808 546 HG13 ILE 67 3HG1 ILE 67 -0.134 -33.682 9.169 547 HG21 ILE 67 1HG2 ILE 67 -3.418 -35.206 10.046 548 HG22 ILE 67 2HG2 ILE 67 -4.365 -33.750 9.747 549 HG23 ILE 67 3HG2 ILE 67 -3.293 -33.830 11.144 550 HD11 ILE 67 3HD1 ILE 67 -0.606 -32.505 11.249 551 HD12 ILE 67 1HD1 ILE 67 0.327 -33.974 11.537 552 HD13 ILE 67 2HD1 ILE 67 -1.400 -33.943 11.889 553 H ARG 68 H ARG 68 -2.848 -31.857 6.317 554 HA ARG 68 HA ARG 68 -5.512 -31.277 6.826 555 HB2 ARG 68 2HB ARG 68 -5.475 -29.806 4.969 556 HB3 ARG 68 3HB ARG 68 -3.828 -29.831 5.581 557 HG2 ARG 68 2HG ARG 68 -3.199 -31.401 3.791 558 HG3 ARG 68 3HG ARG 68 -4.849 -31.340 3.173 559 HD2 ARG 68 2HD ARG 68 -4.529 -28.829 2.955 560 HD3 ARG 68 3HD ARG 68 -2.815 -29.119 3.261 561 HE ARG 68 HE ARG 68 -4.034 -30.631 1.091 562 HH11 ARG 68 1HH1 ARG 68 -2.080 -27.923 1.996 563 HH12 ARG 68 2HH1 ARG 68 -1.456 -27.726 0.396 564 HH21 ARG 68 1HH2 ARG 68 -3.236 -30.326 -0.938 565 HH22 ARG 68 2HH2 ARG 68 -2.089 -29.064 -1.233 566 H ASP 69 H ASP 69 -4.172 -33.578 4.527 567 HA ASP 69 HA ASP 69 -6.563 -34.162 3.122 568 HB2 ASP 69 2HB ASP 69 -4.288 -34.773 2.327 569 HB3 ASP 69 3HB ASP 69 -4.180 -35.972 3.613 570 H SER 70 H SER 70 -5.194 -35.352 6.132 571 HA SER 70 HA SER 70 -7.097 -37.484 6.479 572 HB2 SER 70 2HB SER 70 -5.231 -36.182 8.484 573 HB3 SER 70 3HB SER 70 -6.144 -37.666 8.758 574 HG SER 70 HG SER 70 -4.927 -38.185 6.576 575 H LEU 71 H LEU 71 -6.986 -34.089 7.320 576 HA LEU 71 HA LEU 71 -9.220 -34.091 9.081 577 HB2 LEU 71 2HB LEU 71 -7.865 -31.984 7.430 578 HB3 LEU 71 3HB LEU 71 -9.432 -31.632 8.130 579 HG LEU 71 HG LEU 71 -7.649 -30.769 9.542 580 HD11 LEU 71 1HD1 LEU 71 -8.304 -31.781 11.664 581 HD12 LEU 71 2HD1 LEU 71 -9.022 -33.144 10.805 582 HD13 LEU 71 3HD1 LEU 71 -9.703 -31.527 10.622 583 HD21 LEU 71 3HD2 LEU 71 -6.715 -33.630 9.757 584 HD22 LEU 71 1HD2 LEU 71 -6.084 -32.265 10.678 585 HD23 LEU 71 2HD2 LEU 71 -5.876 -32.318 8.928 586 H GLU 72 H GLU 72 -8.897 -34.000 5.575 587 HA GLU 72 HA GLU 72 -10.412 -34.133 3.866 588 HB2 GLU 72 2HB GLU 72 -12.013 -35.584 5.998 589 HB3 GLU 72 3HB GLU 72 -12.350 -35.639 4.273 590 HG2 GLU 72 2HG GLU 72 -10.300 -36.788 3.834 591 HG3 GLU 72 3HG GLU 72 -9.752 -36.557 5.493 592 H HIS 73 H HIS 73 -10.435 -31.715 5.235 593 HA HIS 73 HA HIS 73 -12.667 -30.793 6.479 594 HB2 HIS 73 2HB HIS 73 -12.077 -28.510 5.654 595 HB3 HIS 73 3HB HIS 73 -10.729 -29.400 6.345 596 HD1 HIS 73 HD1 HIS 73 -11.923 -27.854 3.180 597 HD2 HIS 73 HD2 HIS 73 -8.733 -30.171 4.495 598 HE1 HIS 73 HE1 HIS 73 -10.203 -27.723 1.359 599 HE2 HIS 73 HE2 HIS 73 -8.199 -28.916 2.301 600 H HIS 74 H HIS 74 -14.689 -30.464 6.057 601 HA HIS 74 HA HIS 74 -15.971 -31.294 3.740 602 HB2 HIS 74 2HB HIS 74 -17.116 -31.182 5.872 603 HB3 HIS 74 3HB HIS 74 -16.926 -29.434 5.929 604 HD1 HIS 74 HD1 HIS 74 -18.887 -28.138 5.129 605 HD2 HIS 74 HD2 HIS 74 -18.864 -32.004 3.610 606 HE1 HIS 74 HE1 HIS 74 -21.035 -28.370 3.860 607 HE2 HIS 74 HE2 HIS 74 -21.108 -30.791 3.182 608 H HIS 75 H HIS 75 -16.328 -30.412 1.811 609 HA HIS 75 HA HIS 75 -15.477 -27.763 1.153 610 HB2 HIS 75 2HB HIS 75 -17.011 -29.866 -0.382 611 HB3 HIS 75 3HB HIS 75 -16.611 -28.297 -1.068 612 HD1 HIS 75 HD1 HIS 75 -14.512 -28.269 -2.373 613 HD2 HIS 75 HD2 HIS 75 -14.495 -31.291 0.486 614 HE1 HIS 75 HE1 HIS 75 -12.362 -29.514 -2.722 615 HE2 HIS 75 HE2 HIS 75 -12.431 -31.409 -1.071 616 H HIS 76 H HIS 76 -16.624 -26.093 2.072 617 HA HIS 76 HA HIS 76 -19.478 -26.012 2.208 618 HB2 HIS 76 2HB HIS 76 -18.028 -24.576 3.615 619 HB3 HIS 76 3HB HIS 76 -17.504 -23.709 2.177 620 HD1 HIS 76 HD1 HIS 76 -20.287 -23.980 4.605 621 HD2 HIS 76 HD2 HIS 76 -19.470 -21.960 1.067 622 HE1 HIS 76 HE1 HIS 76 -22.043 -22.200 4.427 623 HE2 HIS 76 HE2 HIS 76 -21.415 -20.881 2.384 624 H HIS 77 H HIS 77 -17.102 -25.193 -0.182 625 HA HIS 77 HA HIS 77 -19.234 -24.906 -2.189 626 HB2 HIS 77 2HB HIS 77 -17.920 -23.210 -3.388 627 HB3 HIS 77 3HB HIS 77 -18.310 -22.656 -1.764 628 HD1 HIS 77 HD1 HIS 77 -16.369 -22.152 -0.199 629 HD2 HIS 77 HD2 HIS 77 -15.162 -23.867 -3.788 630 HE1 HIS 77 HE1 HIS 77 -13.871 -21.913 -0.255 631 HE2 HIS 77 HE2 HIS 77 -13.192 -22.791 -2.509 632 H HIS 78 H HIS 78 -18.362 -25.371 -4.446 633 HA HIS 78 HA HIS 78 -17.248 -27.918 -4.557 634 HB2 HIS 78 2HB HIS 78 -18.541 -26.956 -6.397 635 HB3 HIS 78 3HB HIS 78 -17.258 -25.793 -6.717 636 HD1 HIS 78 HD1 HIS 78 -14.944 -26.852 -7.563 637 HD2 HIS 78 HD2 HIS 78 -18.258 -29.358 -7.708 638 HE1 HIS 78 HE1 HIS 78 -14.292 -28.740 -9.085 639 HE2 HIS 78 HE2 HIS 78 -16.368 -30.147 -9.291 Start of MODEL 7 1 H1 MET 1 1H MET 1 -4.519 -11.681 -6.232 2 H2 MET 1 2H MET 1 -3.678 -11.621 -4.768 3 H3 MET 1 3H MET 1 -3.206 -12.714 -5.967 4 HA MET 1 HA MET 1 -2.583 -10.926 -7.431 5 HB2 MET 1 2HB MET 1 -2.568 -8.613 -6.644 6 HB3 MET 1 3HB MET 1 -4.198 -9.270 -6.612 7 HG2 MET 1 2HG MET 1 -4.061 -9.579 -4.211 8 HG3 MET 1 3HG MET 1 -2.388 -9.019 -4.213 9 HE1 MET 1 3HE MET 1 -2.983 -7.223 -2.305 10 HE2 MET 1 1HE MET 1 -4.644 -7.814 -2.307 11 HE3 MET 1 2HE MET 1 -4.326 -6.085 -2.442 12 H ALA 2 H ALA 2 -1.854 -12.093 -4.340 13 HA ALA 2 HA ALA 2 0.980 -11.762 -4.766 14 HB1 ALA 2 3HB ALA 2 1.474 -10.543 -2.733 15 HB2 ALA 2 1HB ALA 2 -0.241 -10.464 -2.327 16 HB3 ALA 2 2HB ALA 2 0.372 -9.597 -3.736 17 H GLN 3 H GLN 3 2.165 -13.316 -3.732 18 HA GLN 3 HA GLN 3 0.714 -15.402 -2.332 19 HB2 GLN 3 2HB GLN 3 2.395 -15.915 -4.083 20 HB3 GLN 3 3HB GLN 3 3.646 -15.217 -3.072 21 HG2 GLN 3 2HG GLN 3 1.994 -17.494 -2.044 22 HG3 GLN 3 3HG GLN 3 3.317 -17.798 -3.164 23 HE21 GLN 3 1HE2 GLN 3 2.996 -18.592 -0.365 24 HE22 GLN 3 2HE2 GLN 3 4.381 -17.972 0.460 25 H ILE 4 H ILE 4 0.234 -14.857 -0.262 26 HA ILE 4 HA ILE 4 2.437 -13.926 1.469 27 HB ILE 4 HB ILE 4 -0.531 -13.604 1.991 28 HG12 ILE 4 2HG1 ILE 4 0.188 -12.244 0.056 29 HG13 ILE 4 3HG1 ILE 4 -0.211 -11.229 1.437 30 HG21 ILE 4 1HG2 ILE 4 1.879 -12.441 3.408 31 HG22 ILE 4 2HG2 ILE 4 0.801 -13.691 4.033 32 HG23 ILE 4 3HG2 ILE 4 0.195 -12.057 3.764 33 HD11 ILE 4 3HD1 ILE 4 2.161 -10.941 1.924 34 HD12 ILE 4 1HD1 ILE 4 1.778 -10.437 0.279 35 HD13 ILE 4 2HD1 ILE 4 2.572 -11.985 0.562 36 H ILE 5 H ILE 5 2.936 -16.325 1.373 37 HA ILE 5 HA ILE 5 1.683 -17.623 3.708 38 HB ILE 5 HB ILE 5 2.467 -19.064 1.152 39 HG12 ILE 5 2HG1 ILE 5 -0.027 -19.833 1.381 40 HG13 ILE 5 3HG1 ILE 5 -0.204 -18.401 2.385 41 HG21 ILE 5 1HG2 ILE 5 1.447 -20.198 3.758 42 HG22 ILE 5 2HG2 ILE 5 3.077 -20.373 3.107 43 HG23 ILE 5 3HG2 ILE 5 1.711 -21.112 2.271 44 HD11 ILE 5 3HD1 ILE 5 -0.888 -17.951 0.116 45 HD12 ILE 5 1HD1 ILE 5 0.688 -18.459 -0.488 46 HD13 ILE 5 2HD1 ILE 5 0.552 -17.013 0.511 47 H PHE 6 H PHE 6 3.203 -17.752 5.234 48 HA PHE 6 HA PHE 6 5.623 -19.205 4.817 49 HB2 PHE 6 2HB PHE 6 6.313 -17.011 3.876 50 HB3 PHE 6 3HB PHE 6 5.926 -16.244 5.412 51 HD1 PHE 6 HD1 PHE 6 8.111 -18.826 3.870 52 HD2 PHE 6 HD2 PHE 6 7.535 -16.127 7.119 53 HE1 PHE 6 HE1 PHE 6 10.392 -19.295 4.663 54 HE2 PHE 6 HE2 PHE 6 9.816 -16.599 7.916 55 HZ PHE 6 HZ PHE 6 11.246 -18.180 6.687 56 H ASN 7 H ASN 7 6.644 -19.786 6.764 57 HA ASN 7 HA ASN 7 5.973 -18.553 9.271 58 HB2 ASN 7 2HB ASN 7 3.962 -19.968 8.866 59 HB3 ASN 7 3HB ASN 7 5.000 -21.387 8.814 60 HD21 ASN 7 1HD2 ASN 7 5.360 -18.653 11.009 61 HD22 ASN 7 2HD2 ASN 7 5.009 -19.544 12.445 62 H GLU 8 H GLU 8 7.115 -19.571 11.116 63 HA GLU 8 HA GLU 8 9.444 -21.186 10.310 64 HB2 GLU 8 2HB GLU 8 10.940 -19.652 11.556 65 HB3 GLU 8 3HB GLU 8 10.178 -18.879 10.175 66 HG2 GLU 8 2HG GLU 8 9.177 -18.599 13.006 67 HG3 GLU 8 3HG GLU 8 10.313 -17.481 12.255 68 H GLU 9 H GLU 9 7.017 -21.763 11.976 69 HA GLU 9 HA GLU 9 7.881 -21.923 14.703 70 HB2 GLU 9 2HB GLU 9 5.620 -23.324 13.258 71 HB3 GLU 9 3HB GLU 9 5.882 -23.396 14.995 72 HG2 GLU 9 2HG GLU 9 5.373 -20.855 13.452 73 HG3 GLU 9 3HG GLU 9 4.131 -21.787 14.286 74 H TRP 10 H TRP 10 9.786 -23.072 14.928 75 HA TRP 10 HA TRP 10 9.922 -25.846 14.005 76 HB2 TRP 10 2HB TRP 10 11.912 -24.111 15.500 77 HB3 TRP 10 3HB TRP 10 12.204 -25.795 15.083 78 HD1 TRP 10 HD1 TRP 10 11.517 -22.423 13.295 79 HE1 TRP 10 HE1 TRP 10 12.722 -22.467 11.023 80 HE3 TRP 10 HE3 TRP 10 13.297 -27.214 13.416 81 HZ2 TRP 10 HZ2 TRP 10 14.231 -24.293 9.483 82 HZ3 TRP 10 HZ3 TRP 10 14.617 -28.030 11.507 83 HH2 TRP 10 HH2 TRP 10 15.074 -26.599 9.581 84 H MET 11 H MET 11 9.685 -27.630 15.328 85 HA MET 11 HA MET 11 9.664 -27.390 18.206 86 HB2 MET 11 2HB MET 11 7.303 -28.170 18.452 87 HB3 MET 11 3HB MET 11 7.454 -26.544 17.800 88 HG2 MET 11 2HG MET 11 7.158 -27.528 15.515 89 HG3 MET 11 3HG MET 11 6.790 -29.065 16.298 90 HE1 MET 11 3HE MET 11 5.729 -25.329 15.839 91 HE2 MET 11 1HE MET 11 5.801 -25.458 17.598 92 HE3 MET 11 2HE MET 11 4.247 -25.243 16.792 93 H VAL 12 H VAL 12 9.908 -29.345 19.261 94 HA VAL 12 HA VAL 12 10.754 -31.590 17.668 95 HB VAL 12 HB VAL 12 11.223 -32.718 19.794 96 HG11 VAL 12 1HG1 VAL 12 12.871 -31.148 18.911 97 HG12 VAL 12 2HG1 VAL 12 12.884 -31.147 20.675 98 HG13 VAL 12 3HG1 VAL 12 12.107 -29.827 19.798 99 HG21 VAL 12 3HG2 VAL 12 9.285 -31.962 21.081 100 HG22 VAL 12 1HG2 VAL 12 9.924 -30.317 21.102 101 HG23 VAL 12 2HG2 VAL 12 10.782 -31.609 21.943 102 H GLU 13 H GLU 13 9.984 -33.880 18.421 103 HA GLU 13 HA GLU 13 7.513 -34.405 17.375 104 HB2 GLU 13 2HB GLU 13 9.163 -36.142 17.742 105 HB3 GLU 13 3HB GLU 13 8.997 -35.980 19.487 106 HG2 GLU 13 2HG GLU 13 6.632 -36.727 19.275 107 HG3 GLU 13 3HG GLU 13 6.920 -37.010 17.558 108 H LYS 14 H LYS 14 8.166 -34.364 20.894 109 HA LYS 14 HA LYS 14 5.579 -34.820 21.775 110 HB2 LYS 14 2HB LYS 14 7.663 -34.874 23.160 111 HB3 LYS 14 3HB LYS 14 7.650 -33.117 23.179 112 HG2 LYS 14 2HG LYS 14 5.225 -34.572 24.132 113 HG3 LYS 14 3HG LYS 14 6.653 -34.526 25.165 114 HD2 LYS 14 2HD LYS 14 5.308 -32.081 24.007 115 HD3 LYS 14 3HD LYS 14 4.999 -32.713 25.625 116 HE2 LYS 14 2HE LYS 14 7.409 -32.422 26.146 117 HE3 LYS 14 3HE LYS 14 7.637 -31.685 24.560 118 HZ1 LYS 14 3HZ LYS 14 6.105 -29.936 25.191 119 HZ2 LYS 14 1HZ LYS 14 7.377 -30.030 26.306 120 HZ3 LYS 14 2HZ LYS 14 5.856 -30.657 26.700 121 H ALA 15 H ALA 15 7.074 -31.737 20.885 122 HA ALA 15 HA ALA 15 4.825 -30.154 21.725 123 HB1 ALA 15 3HB ALA 15 7.123 -29.447 19.895 124 HB2 ALA 15 1HB ALA 15 7.080 -29.213 21.644 125 HB3 ALA 15 2HB ALA 15 5.978 -28.308 20.606 126 H LEU 16 H LEU 16 5.990 -31.463 18.662 127 HA LEU 16 HA LEU 16 4.270 -30.151 16.904 128 HB2 LEU 16 2HB LEU 16 6.344 -31.485 16.358 129 HB3 LEU 16 3HB LEU 16 5.400 -32.941 16.578 130 HG LEU 16 HG LEU 16 5.796 -32.176 14.185 131 HD11 LEU 16 1HD1 LEU 16 3.583 -32.809 13.419 132 HD12 LEU 16 2HD1 LEU 16 2.920 -32.526 15.029 133 HD13 LEU 16 3HD1 LEU 16 4.082 -33.827 14.770 134 HD21 LEU 16 3HD2 LEU 16 3.747 -30.088 14.940 135 HD22 LEU 16 1HD2 LEU 16 4.333 -30.425 13.311 136 HD23 LEU 16 2HD2 LEU 16 5.436 -29.787 14.530 137 H MET 17 H MET 17 3.878 -33.329 18.495 138 HA MET 17 HA MET 17 1.439 -34.025 17.311 139 HB2 MET 17 2HB MET 17 1.141 -35.602 19.153 140 HB3 MET 17 3HB MET 17 2.799 -35.624 18.574 141 HG2 MET 17 2HG MET 17 3.506 -34.281 20.471 142 HG3 MET 17 3HG MET 17 1.840 -34.183 21.039 143 HE1 MET 17 3HE MET 17 4.273 -38.109 20.897 144 HE2 MET 17 1HE MET 17 4.929 -36.540 20.428 145 HE3 MET 17 2HE MET 17 3.671 -37.298 19.452 146 H VAL 18 H VAL 18 2.088 -31.958 20.091 147 HA VAL 18 HA VAL 18 -0.647 -31.723 20.917 148 HB VAL 18 HB VAL 18 1.664 -29.848 21.496 149 HG11 VAL 18 1HG1 VAL 18 0.351 -29.179 23.464 150 HG12 VAL 18 2HG1 VAL 18 -0.969 -30.222 22.934 151 HG13 VAL 18 3HG1 VAL 18 -0.503 -28.827 21.960 152 HG21 VAL 18 3HG2 VAL 18 2.180 -32.141 22.188 153 HG22 VAL 18 1HG2 VAL 18 0.675 -32.208 23.107 154 HG23 VAL 18 2HG2 VAL 18 1.951 -31.086 23.584 155 H ARG 19 H ARG 19 1.538 -29.687 18.989 156 HA ARG 19 HA ARG 19 -0.298 -27.552 18.604 157 HB2 ARG 19 2HB ARG 19 2.089 -28.277 16.894 158 HB3 ARG 19 3HB ARG 19 1.302 -26.708 16.981 159 HG2 ARG 19 2HG ARG 19 2.737 -28.041 19.275 160 HG3 ARG 19 3HG ARG 19 3.436 -26.817 18.220 161 HD2 ARG 19 2HD ARG 19 1.731 -25.212 18.944 162 HD3 ARG 19 3HD ARG 19 1.024 -26.439 19.998 163 HE ARG 19 HE ARG 19 3.399 -26.427 21.031 164 HH11 ARG 19 1HH1 ARG 19 1.732 -23.653 19.821 165 HH12 ARG 19 2HH1 ARG 19 2.555 -22.571 20.889 166 HH21 ARG 19 1HH2 ARG 19 4.427 -25.032 22.381 167 HH22 ARG 19 2HH2 ARG 19 4.062 -23.341 22.320 168 H THR 20 H THR 20 0.258 -30.541 16.856 169 HA THR 20 HA THR 20 -1.431 -29.648 14.615 170 HB THR 20 HB THR 20 -0.723 -31.710 13.467 171 HG1 THR 20 HG1 THR 20 1.228 -32.272 15.383 172 HG21 THR 20 3HG2 THR 20 1.640 -31.136 13.155 173 HG22 THR 20 1HG2 THR 20 1.601 -30.146 14.615 174 HG23 THR 20 2HG2 THR 20 0.642 -29.682 13.209 175 H GLY 21 H GLY 21 -1.448 -31.891 17.312 176 HA2 GLY 21 2HA GLY 21 -3.475 -32.812 18.187 177 HA3 GLY 21 3HA GLY 21 -4.189 -32.702 16.586 178 H LEU 22 H LEU 22 -1.245 -33.878 15.948 179 HA LEU 22 HA LEU 22 -2.137 -36.586 15.619 180 HB2 LEU 22 2HB LEU 22 0.433 -35.126 15.076 181 HB3 LEU 22 3HB LEU 22 0.397 -36.875 15.005 182 HG LEU 22 HG LEU 22 -1.309 -36.787 13.241 183 HD11 LEU 22 1HD1 LEU 22 -0.986 -33.791 13.425 184 HD12 LEU 22 2HD1 LEU 22 -2.434 -34.720 13.813 185 HD13 LEU 22 3HD1 LEU 22 -1.852 -34.650 12.150 186 HD21 LEU 22 3HD2 LEU 22 1.054 -36.859 12.625 187 HD22 LEU 22 1HD2 LEU 22 1.119 -35.096 12.634 188 HD23 LEU 22 2HD2 LEU 22 0.116 -35.938 11.451 189 H GLY 23 H GLY 23 -0.130 -38.235 16.186 190 HA2 GLY 23 2HA GLY 23 0.685 -37.881 18.978 191 HA3 GLY 23 3HA GLY 23 -0.323 -39.269 18.590 192 H ALA 24 H ALA 24 2.074 -39.793 19.700 193 HA ALA 24 HA ALA 24 4.362 -39.885 18.141 194 HB1 ALA 24 3HB ALA 24 3.507 -41.914 20.208 195 HB2 ALA 24 1HB ALA 24 4.331 -40.389 20.535 196 HB3 ALA 24 2HB ALA 24 5.151 -41.657 19.625 197 H ARG 25 H ARG 25 1.884 -42.435 18.442 198 HA ARG 25 HA ARG 25 3.114 -44.334 16.775 199 HB2 ARG 25 2HB ARG 25 1.172 -44.672 18.385 200 HB3 ARG 25 3HB ARG 25 0.131 -44.018 17.127 201 HG2 ARG 25 2HG ARG 25 0.907 -45.830 15.613 202 HG3 ARG 25 3HG ARG 25 1.818 -46.512 16.961 203 HD2 ARG 25 2HD ARG 25 -0.394 -46.568 18.227 204 HD3 ARG 25 3HD ARG 25 -1.170 -46.242 16.676 205 HE ARG 25 HE ARG 25 0.526 -48.602 17.165 206 HH11 ARG 25 1HH1 ARG 25 -2.285 -47.163 15.787 207 HH12 ARG 25 2HH1 ARG 25 -2.866 -48.666 15.162 208 HH21 ARG 25 1HH2 ARG 25 -0.221 -50.501 16.359 209 HH22 ARG 25 2HH2 ARG 25 -1.699 -50.534 15.462 210 H GLN 26 H GLN 26 0.959 -41.655 16.016 211 HA GLN 26 HA GLN 26 0.618 -42.409 13.257 212 HB2 GLN 26 2HB GLN 26 -1.129 -41.172 14.430 213 HB3 GLN 26 3HB GLN 26 -0.028 -39.831 14.709 214 HG2 GLN 26 2HG GLN 26 0.027 -39.283 12.397 215 HG3 GLN 26 3HG GLN 26 -0.817 -40.766 11.960 216 HE21 GLN 26 1HE2 GLN 26 -1.800 -38.917 14.742 217 HE22 GLN 26 2HE2 GLN 26 -3.261 -38.304 14.060 218 H ILE 27 H ILE 27 2.658 -40.080 15.003 219 HA ILE 27 HA ILE 27 3.718 -38.797 12.705 220 HB ILE 27 HB ILE 27 4.926 -39.030 15.475 221 HG12 ILE 27 2HG1 ILE 27 3.317 -36.792 14.202 222 HG13 ILE 27 3HG1 ILE 27 2.711 -37.917 15.413 223 HG21 ILE 27 1HG2 ILE 27 5.634 -37.161 13.204 224 HG22 ILE 27 2HG2 ILE 27 6.634 -38.481 13.815 225 HG23 ILE 27 3HG2 ILE 27 6.293 -37.087 14.840 226 HD11 ILE 27 3HD1 ILE 27 4.348 -37.051 17.017 227 HD12 ILE 27 1HD1 ILE 27 3.269 -35.791 16.418 228 HD13 ILE 27 2HD1 ILE 27 4.919 -35.905 15.804 229 H GLU 28 H GLU 28 4.943 -41.512 14.691 230 HA GLU 28 HA GLU 28 7.356 -41.912 13.347 231 HB2 GLU 28 2HB GLU 28 7.344 -44.179 14.219 232 HB3 GLU 28 3HB GLU 28 6.769 -43.060 15.446 233 HG2 GLU 28 2HG GLU 28 4.483 -43.731 15.049 234 HG3 GLU 28 3HG GLU 28 4.988 -44.775 13.722 235 H SER 29 H SER 29 4.108 -43.050 12.545 236 HA SER 29 HA SER 29 4.759 -44.690 10.357 237 HB2 SER 29 2HB SER 29 2.511 -44.665 11.343 238 HB3 SER 29 3HB SER 29 2.268 -43.011 10.782 239 HG SER 29 HG SER 29 2.170 -45.404 9.381 240 H TYR 30 H TYR 30 3.877 -41.219 10.405 241 HA TYR 30 HA TYR 30 4.292 -40.762 7.651 242 HB2 TYR 30 2HB TYR 30 4.340 -38.903 10.028 243 HB3 TYR 30 3HB TYR 30 4.604 -38.325 8.388 244 HD1 TYR 30 HD2 TYR 30 2.737 -39.042 6.649 245 HD2 TYR 30 HD1 TYR 30 2.169 -38.889 10.866 246 HE1 TYR 30 HE2 TYR 30 0.312 -38.851 6.310 247 HE2 TYR 30 HE1 TYR 30 -0.260 -38.703 10.533 248 HH TYR 30 HH TYR 30 -1.839 -38.012 8.838 249 H ARG 31 H ARG 31 6.558 -40.883 10.337 250 HA ARG 31 HA ARG 31 8.749 -39.697 8.962 251 HB2 ARG 31 2HB ARG 31 8.639 -41.512 11.369 252 HB3 ARG 31 3HB ARG 31 10.152 -40.886 10.723 253 HG2 ARG 31 2HG ARG 31 9.221 -38.579 11.023 254 HG3 ARG 31 3HG ARG 31 7.864 -39.310 11.880 255 HD2 ARG 31 2HD ARG 31 10.766 -39.613 12.661 256 HD3 ARG 31 3HD ARG 31 9.649 -38.454 13.379 257 HE ARG 31 HE ARG 31 9.158 -41.357 13.521 258 HH11 ARG 31 1HH1 ARG 31 9.597 -38.304 15.051 259 HH12 ARG 31 2HH1 ARG 31 9.063 -38.884 16.591 260 HH21 ARG 31 1HH2 ARG 31 8.510 -42.084 15.528 261 HH22 ARG 31 2HH2 ARG 31 8.467 -40.980 16.858 262 H GLN 32 H GLN 32 7.241 -42.690 8.548 263 HA GLN 32 HA GLN 32 9.608 -44.051 7.548 264 HB2 GLN 32 2HB GLN 32 6.714 -44.941 7.519 265 HB3 GLN 32 3HB GLN 32 8.114 -45.947 7.164 266 HG2 GLN 32 2HG GLN 32 8.910 -45.612 9.476 267 HG3 GLN 32 3HG GLN 32 7.463 -44.669 9.820 268 HE21 GLN 32 1HE2 GLN 32 8.755 -47.827 9.270 269 HE22 GLN 32 2HE2 GLN 32 7.354 -48.708 9.762 270 H GLY 33 H GLY 33 7.783 -41.655 6.264 271 HA2 GLY 33 2HA GLY 33 8.546 -42.328 3.565 272 HA3 GLY 33 3HA GLY 33 6.814 -42.422 3.817 273 H ALA 34 H ALA 34 6.288 -40.216 5.380 274 HA ALA 34 HA ALA 34 6.350 -38.240 3.277 275 HB1 ALA 34 3HB ALA 34 4.747 -37.021 4.634 276 HB2 ALA 34 1HB ALA 34 5.045 -38.109 5.991 277 HB3 ALA 34 2HB ALA 34 4.294 -38.722 4.517 278 H TRP 35 H TRP 35 7.733 -38.461 6.546 279 HA TRP 35 HA TRP 35 8.566 -35.724 6.657 280 HB2 TRP 35 2HB TRP 35 9.142 -38.165 8.293 281 HB3 TRP 35 3HB TRP 35 10.131 -36.739 8.517 282 HD1 TRP 35 HD1 TRP 35 9.292 -36.465 10.992 283 HE1 TRP 35 HE1 TRP 35 7.128 -35.555 12.022 284 HE3 TRP 35 HE3 TRP 35 6.294 -36.486 6.827 285 HZ2 TRP 35 HZ2 TRP 35 4.526 -34.920 11.213 286 HZ3 TRP 35 HZ3 TRP 35 3.976 -35.695 7.062 287 HH2 TRP 35 HH2 TRP 35 3.111 -34.931 9.206 288 H ILE 36 H ILE 36 10.385 -34.761 5.927 289 HA ILE 36 HA ILE 36 12.611 -36.421 4.914 290 HB ILE 36 HB ILE 36 11.438 -33.986 3.540 291 HG12 ILE 36 2HG1 ILE 36 11.447 -36.887 2.643 292 HG13 ILE 36 3HG1 ILE 36 10.052 -36.042 3.303 293 HG21 ILE 36 1HG2 ILE 36 13.743 -35.762 2.719 294 HG22 ILE 36 2HG2 ILE 36 13.855 -34.087 3.258 295 HG23 ILE 36 3HG2 ILE 36 13.048 -34.470 1.739 296 HD11 ILE 36 3HD1 ILE 36 9.966 -36.200 0.878 297 HD12 ILE 36 1HD1 ILE 36 11.489 -35.321 0.759 298 HD13 ILE 36 2HD1 ILE 36 10.057 -34.522 1.412 299 H GLU 37 H GLU 37 14.557 -35.810 5.736 300 HA GLU 37 HA GLU 37 14.800 -33.564 7.471 301 HB2 GLU 37 2HB GLU 37 16.115 -35.666 7.722 302 HB3 GLU 37 3HB GLU 37 17.017 -35.243 6.272 303 HG2 GLU 37 2HG GLU 37 17.936 -33.295 7.344 304 HG3 GLU 37 3HG GLU 37 16.923 -33.548 8.763 305 H GLY 38 H GLY 38 16.192 -31.708 7.213 306 HA2 GLY 38 2HA GLY 38 17.116 -29.947 6.012 307 HA3 GLY 38 3HA GLY 38 17.007 -30.912 4.549 308 H VAL 39 H VAL 39 14.218 -31.477 4.674 309 HA VAL 39 HA VAL 39 13.177 -28.871 3.821 310 HB VAL 39 HB VAL 39 11.963 -31.605 3.372 311 HG11 VAL 39 1HG1 VAL 39 10.690 -30.468 1.594 312 HG12 VAL 39 2HG1 VAL 39 11.397 -28.929 2.085 313 HG13 VAL 39 3HG1 VAL 39 10.341 -29.806 3.191 314 HG21 VAL 39 3HG2 VAL 39 12.892 -31.479 1.104 315 HG22 VAL 39 1HG2 VAL 39 14.164 -31.486 2.327 316 HG23 VAL 39 2HG2 VAL 39 13.719 -29.979 1.526 317 H HIS 40 H HIS 40 11.747 -31.730 5.481 318 HA HIS 40 HA HIS 40 9.768 -29.965 6.724 319 HB2 HIS 40 2HB HIS 40 9.967 -32.971 6.519 320 HB3 HIS 40 3HB HIS 40 8.750 -32.168 7.504 321 HD1 HIS 40 HD1 HIS 40 9.258 -30.235 4.474 322 HD2 HIS 40 HD2 HIS 40 7.047 -33.589 5.550 323 HE1 HIS 40 HE1 HIS 40 7.547 -30.526 2.667 324 HE2 HIS 40 HE2 HIS 40 6.382 -32.677 3.221 325 H PHE 41 H PHE 41 12.739 -31.383 7.609 326 HA PHE 41 HA PHE 41 12.639 -30.257 10.220 327 HB2 PHE 41 2HB PHE 41 12.730 -32.241 11.598 328 HB3 PHE 41 3HB PHE 41 11.274 -32.323 10.615 329 HD1 PHE 41 HD1 PHE 41 11.093 -33.960 8.791 330 HD2 PHE 41 HD2 PHE 41 14.531 -33.812 11.305 331 HE1 PHE 41 HE1 PHE 41 11.760 -36.197 8.019 332 HE2 PHE 41 HE2 PHE 41 15.198 -36.047 10.528 333 HZ PHE 41 HZ PHE 41 13.809 -37.245 8.885 334 H LYS 42 H LYS 42 14.682 -30.964 11.534 335 HA LYS 42 HA LYS 42 16.756 -32.354 10.166 336 HB2 LYS 42 2HB LYS 42 18.370 -30.543 9.880 337 HB3 LYS 42 3HB LYS 42 16.937 -30.274 8.900 338 HG2 LYS 42 2HG LYS 42 16.152 -28.570 10.359 339 HG3 LYS 42 3HG LYS 42 17.366 -28.965 11.578 340 HD2 LYS 42 2HD LYS 42 17.970 -26.939 10.329 341 HD3 LYS 42 3HD LYS 42 19.143 -28.231 10.071 342 HE2 LYS 42 2HE LYS 42 18.026 -28.766 7.925 343 HE3 LYS 42 3HE LYS 42 16.929 -27.408 8.183 344 HZ1 LYS 42 3HZ LYS 42 19.881 -27.240 7.875 345 HZ2 LYS 42 1HZ LYS 42 18.862 -25.926 8.187 346 HZ3 LYS 42 2HZ LYS 42 18.730 -26.774 6.731 347 H ARG 43 H ARG 43 18.950 -32.006 11.321 348 HA ARG 43 HA ARG 43 18.486 -32.431 14.157 349 HB2 ARG 43 2HB ARG 43 20.912 -32.702 12.381 350 HB3 ARG 43 3HB ARG 43 20.991 -32.930 14.122 351 HG2 ARG 43 2HG ARG 43 19.765 -34.889 14.060 352 HG3 ARG 43 3HG ARG 43 19.008 -34.489 12.517 353 HD2 ARG 43 2HD ARG 43 21.952 -35.069 12.813 354 HD3 ARG 43 3HD ARG 43 20.756 -36.309 12.432 355 HE ARG 43 HE ARG 43 20.240 -35.029 10.407 356 HH11 ARG 43 1HH1 ARG 43 23.264 -34.388 11.948 357 HH12 ARG 43 2HH1 ARG 43 23.984 -33.798 10.492 358 HH21 ARG 43 1HH2 ARG 43 21.182 -34.270 8.572 359 HH22 ARG 43 2HH2 ARG 43 22.825 -33.728 8.609 360 H VAL 44 H VAL 44 18.599 -30.867 15.606 361 HA VAL 44 HA VAL 44 20.327 -28.526 15.135 362 HB VAL 44 HB VAL 44 17.956 -28.811 17.006 363 HG11 VAL 44 1HG1 VAL 44 19.638 -26.381 16.376 364 HG12 VAL 44 2HG1 VAL 44 19.614 -27.259 17.906 365 HG13 VAL 44 3HG1 VAL 44 18.176 -26.394 17.361 366 HG21 VAL 44 3HG2 VAL 44 16.838 -27.244 15.471 367 HG22 VAL 44 1HG2 VAL 44 17.274 -28.751 14.667 368 HG23 VAL 44 2HG2 VAL 44 18.240 -27.298 14.404 369 H SER 45 H SER 45 21.671 -27.760 16.839 370 HA SER 45 HA SER 45 23.120 -29.713 18.207 371 HB2 SER 45 2HB SER 45 22.974 -26.740 18.785 372 HB3 SER 45 3HB SER 45 24.231 -27.831 19.368 373 HG SER 45 HG SER 45 24.468 -26.505 17.270 374 HA PRO 46 HA PRO 46 20.771 -30.329 21.983 375 HB2 PRO 46 2HB PRO 46 23.241 -31.320 23.213 376 HB3 PRO 46 3HB PRO 46 21.769 -32.204 22.801 377 HG2 PRO 46 2HG PRO 46 24.107 -32.561 21.476 378 HG3 PRO 46 3HG PRO 46 22.527 -32.739 20.692 379 HD2 PRO 46 2HD PRO 46 24.434 -30.422 20.609 380 HD3 PRO 46 3HD PRO 46 23.485 -31.149 19.292 381 H SER 47 H SER 47 20.850 -29.702 24.300 382 HA SER 47 HA SER 47 21.838 -27.002 24.530 383 HB2 SER 47 2HB SER 47 20.632 -26.959 26.676 384 HB3 SER 47 3HB SER 47 19.611 -27.577 25.380 385 HG SER 47 HG SER 47 19.511 -28.800 27.362 386 H GLY 48 H GLY 48 22.208 -29.844 26.687 387 HA2 GLY 48 2HA GLY 48 24.233 -28.502 28.228 388 HA3 GLY 48 3HA GLY 48 23.659 -30.141 28.466 389 H GLU 49 H GLU 49 24.358 -31.547 26.331 390 HA GLU 49 HA GLU 49 27.269 -31.114 26.053 391 HB2 GLU 49 2HB GLU 49 25.862 -33.720 26.677 392 HB3 GLU 49 3HB GLU 49 27.565 -33.586 26.258 393 HG2 GLU 49 2HG GLU 49 27.952 -32.203 28.239 394 HG3 GLU 49 3HG GLU 49 26.245 -32.326 28.662 395 H LYS 50 H LYS 50 28.254 -31.844 24.186 396 HA LYS 50 HA LYS 50 26.561 -31.930 21.844 397 HB2 LYS 50 2HB LYS 50 29.571 -32.076 22.133 398 HB3 LYS 50 3HB LYS 50 28.704 -31.863 20.615 399 HG2 LYS 50 2HG LYS 50 27.960 -29.702 21.223 400 HG3 LYS 50 3HG LYS 50 28.426 -29.932 22.910 401 HD2 LYS 50 2HD LYS 50 30.358 -29.814 20.584 402 HD3 LYS 50 3HD LYS 50 29.979 -28.456 21.647 403 HE2 LYS 50 2HE LYS 50 30.790 -29.798 23.574 404 HE3 LYS 50 3HE LYS 50 31.252 -31.077 22.453 405 HZ1 LYS 50 3HZ LYS 50 32.326 -28.307 22.425 406 HZ2 LYS 50 1HZ LYS 50 32.792 -29.564 21.396 407 HZ3 LYS 50 2HZ LYS 50 33.124 -29.658 23.048 408 H THR 51 H THR 51 25.704 -33.795 21.118 409 HA THR 51 HA THR 51 27.206 -36.315 21.505 410 HB THR 51 HB THR 51 25.082 -37.513 21.582 411 HG1 THR 51 HG1 THR 51 23.200 -35.827 21.920 412 HG21 THR 51 3HG2 THR 51 24.246 -36.718 23.734 413 HG22 THR 51 1HG2 THR 51 25.083 -35.180 23.509 414 HG23 THR 51 2HG2 THR 51 26.007 -36.671 23.697 415 H LEU 52 H LEU 52 26.604 -38.047 19.924 416 HA LEU 52 HA LEU 52 26.600 -37.061 17.204 417 HB2 LEU 52 2HB LEU 52 26.544 -39.878 18.317 418 HB3 LEU 52 3HB LEU 52 26.652 -39.498 16.611 419 HG LEU 52 HG LEU 52 28.841 -40.071 17.359 420 HD11 LEU 52 1HD1 LEU 52 28.677 -37.068 17.121 421 HD12 LEU 52 2HD1 LEU 52 28.732 -38.214 15.782 422 HD13 LEU 52 3HD1 LEU 52 30.114 -38.058 16.865 423 HD21 LEU 52 3HD2 LEU 52 29.993 -38.904 19.185 424 HD22 LEU 52 1HD2 LEU 52 28.556 -39.753 19.754 425 HD23 LEU 52 2HD2 LEU 52 28.517 -38.003 19.538 426 H ARG 53 H ARG 53 24.247 -37.756 19.475 427 HA ARG 53 HA ARG 53 22.202 -38.725 17.657 428 HB2 ARG 53 2HB ARG 53 22.026 -37.869 20.558 429 HB3 ARG 53 3HB ARG 53 20.750 -38.669 19.651 430 HG2 ARG 53 2HG ARG 53 23.458 -39.855 20.256 431 HG3 ARG 53 3HG ARG 53 21.969 -40.208 21.131 432 HD2 ARG 53 2HD ARG 53 22.506 -40.772 18.210 433 HD3 ARG 53 3HD ARG 53 22.446 -41.960 19.513 434 HE ARG 53 HE ARG 53 20.016 -40.772 19.643 435 HH11 ARG 53 1HH1 ARG 53 21.776 -42.322 17.118 436 HH12 ARG 53 2HH1 ARG 53 20.349 -42.778 16.256 437 HH21 ARG 53 1HH2 ARG 53 18.199 -41.384 18.546 438 HH22 ARG 53 2HH2 ARG 53 18.344 -42.261 17.061 439 H GLY 54 H GLY 54 22.795 -35.751 19.546 440 HA2 GLY 54 2HA GLY 54 22.151 -33.573 19.163 441 HA3 GLY 54 3HA GLY 54 21.665 -34.059 17.547 442 H THR 55 H THR 55 19.961 -32.385 18.099 443 HA THR 55 HA THR 55 17.622 -33.751 19.301 444 HB THR 55 HB THR 55 18.145 -30.766 19.415 445 HG1 THR 55 HG1 THR 55 19.130 -31.129 21.242 446 HG21 THR 55 3HG2 THR 55 15.764 -31.317 19.359 447 HG22 THR 55 1HG2 THR 55 16.221 -30.742 20.963 448 HG23 THR 55 2HG2 THR 55 15.984 -32.466 20.678 449 H THR 56 H THR 56 16.110 -34.136 17.771 450 HA THR 56 HA THR 56 16.291 -32.717 15.223 451 HB THR 56 HB THR 56 14.553 -35.075 16.001 452 HG1 THR 56 HG1 THR 56 16.653 -35.384 14.195 453 HG21 THR 56 3HG2 THR 56 15.127 -33.854 13.293 454 HG22 THR 56 1HG2 THR 56 13.577 -33.855 14.135 455 HG23 THR 56 2HG2 THR 56 14.269 -35.371 13.559 456 H TRP 57 H TRP 57 15.154 -30.931 14.912 457 HA TRP 57 HA TRP 57 12.557 -30.572 16.256 458 HB2 TRP 57 2HB TRP 57 14.414 -28.586 14.917 459 HB3 TRP 57 3HB TRP 57 12.815 -28.171 15.522 460 HD1 TRP 57 HD1 TRP 57 16.034 -29.795 17.013 461 HE1 TRP 57 HE1 TRP 57 16.363 -28.847 19.383 462 HE3 TRP 57 HE3 TRP 57 11.876 -26.832 17.286 463 HZ2 TRP 57 HZ2 TRP 57 15.035 -27.091 21.137 464 HZ3 TRP 57 HZ3 TRP 57 11.476 -25.553 19.352 465 HH2 TRP 57 HH2 TRP 57 13.024 -25.682 21.238 466 H TYR 58 H TYR 58 10.691 -30.490 15.126 467 HA TYR 58 HA TYR 58 10.792 -30.970 12.236 468 HB2 TYR 58 2HB TYR 58 8.478 -31.205 14.184 469 HB3 TYR 58 3HB TYR 58 8.420 -31.628 12.477 470 HD1 TYR 58 HD2 TYR 58 9.893 -33.526 11.654 471 HD2 TYR 58 HD1 TYR 58 9.239 -32.769 15.790 472 HE1 TYR 58 HE2 TYR 58 10.617 -35.816 12.183 473 HE2 TYR 58 HE1 TYR 58 9.969 -35.054 16.329 474 HH TYR 58 HH TYR 58 11.601 -37.028 14.196 475 H ASN 59 H ASN 59 9.798 -29.660 10.736 476 HA ASN 59 HA ASN 59 9.241 -26.929 11.499 477 HB2 ASN 59 2HB ASN 59 9.090 -28.285 8.794 478 HB3 ASN 59 3HB ASN 59 8.940 -26.553 9.071 479 HD21 ASN 59 1HD2 ASN 59 10.712 -26.077 7.803 480 HD22 ASN 59 2HD2 ASN 59 12.325 -26.431 8.296 481 H TYR 60 H TYR 60 7.309 -26.606 12.500 482 HA TYR 60 HA TYR 60 4.921 -27.972 12.041 483 HB2 TYR 60 2HB TYR 60 5.219 -26.539 13.998 484 HB3 TYR 60 3HB TYR 60 5.271 -25.110 12.972 485 HD1 TYR 60 HD1 TYR 60 3.060 -27.914 14.025 486 HD2 TYR 60 HD2 TYR 60 3.264 -23.978 12.405 487 HE1 TYR 60 HE1 TYR 60 0.619 -27.708 14.225 488 HE2 TYR 60 HE2 TYR 60 0.821 -23.767 12.596 489 HH TYR 60 HH TYR 60 -1.078 -25.910 14.402 490 HA PRO 61 HA PRO 61 3.852 -24.310 8.786 491 HB2 PRO 61 2HB PRO 61 6.204 -23.936 7.273 492 HB3 PRO 61 3HB PRO 61 5.472 -22.775 8.382 493 HG2 PRO 61 2HG PRO 61 7.717 -24.689 8.847 494 HG3 PRO 61 3HG PRO 61 7.498 -23.038 9.459 495 HD2 PRO 61 2HD PRO 61 7.096 -25.136 11.045 496 HD3 PRO 61 3HD PRO 61 6.020 -23.725 11.132 497 H GLU 62 H GLU 62 6.404 -26.736 8.174 498 HA GLU 62 HA GLU 62 5.546 -27.425 5.561 499 HB2 GLU 62 2HB GLU 62 7.214 -28.917 7.596 500 HB3 GLU 62 3HB GLU 62 6.935 -29.511 5.963 501 HG2 GLU 62 2HG GLU 62 8.300 -26.926 6.708 502 HG3 GLU 62 3HG GLU 62 9.089 -28.396 6.140 503 H ILE 63 H ILE 63 4.932 -28.948 8.716 504 HA ILE 63 HA ILE 63 3.320 -31.051 7.642 505 HB ILE 63 HB ILE 63 3.482 -30.024 10.486 506 HG12 ILE 63 2HG1 ILE 63 4.974 -32.302 9.150 507 HG13 ILE 63 3HG1 ILE 63 5.665 -30.726 9.514 508 HG21 ILE 63 1HG2 ILE 63 2.481 -32.674 9.430 509 HG22 ILE 63 2HG2 ILE 63 1.486 -31.384 10.108 510 HG23 ILE 63 3HG2 ILE 63 2.644 -32.234 11.131 511 HD11 ILE 63 3HD1 ILE 63 5.361 -31.126 11.890 512 HD12 ILE 63 1HD1 ILE 63 6.321 -32.403 11.147 513 HD13 ILE 63 2HD1 ILE 63 4.628 -32.692 11.542 514 H ASN 64 H ASN 64 2.612 -27.907 9.105 515 HA ASN 64 HA ASN 64 -0.203 -28.046 9.111 516 HB2 ASN 64 2HB ASN 64 1.075 -26.278 10.285 517 HB3 ASN 64 3HB ASN 64 1.571 -25.614 8.732 518 HD21 ASN 64 1HD2 ASN 64 -0.999 -25.893 11.027 519 HD22 ASN 64 2HD2 ASN 64 -2.074 -24.782 10.260 520 H LYS 65 H LYS 65 2.099 -26.893 6.674 521 HA LYS 65 HA LYS 65 0.364 -26.176 4.621 522 HB2 LYS 65 2HB LYS 65 2.742 -25.723 4.527 523 HB3 LYS 65 3HB LYS 65 3.112 -27.441 4.520 524 HG2 LYS 65 2HG LYS 65 2.155 -27.677 2.302 525 HG3 LYS 65 3HG LYS 65 1.653 -25.985 2.313 526 HD2 LYS 65 2HD LYS 65 3.737 -26.367 1.017 527 HD3 LYS 65 3HD LYS 65 3.961 -25.252 2.367 528 HE2 LYS 65 2HE LYS 65 4.883 -27.113 3.714 529 HE3 LYS 65 3HE LYS 65 4.715 -28.180 2.320 530 HZ1 LYS 65 3HZ LYS 65 6.375 -25.721 2.363 531 HZ2 LYS 65 1HZ LYS 65 6.293 -26.862 1.115 532 HZ3 LYS 65 2HZ LYS 65 6.975 -27.281 2.607 533 H PHE 66 H PHE 66 1.631 -29.377 5.490 534 HA PHE 66 HA PHE 66 0.400 -30.845 3.412 535 HB2 PHE 66 2HB PHE 66 2.177 -31.848 4.700 536 HB3 PHE 66 3HB PHE 66 1.269 -31.663 6.195 537 HD1 PHE 66 HD2 PHE 66 1.206 -33.413 2.906 538 HD2 PHE 66 HD1 PHE 66 -0.102 -33.388 6.963 539 HE1 PHE 66 HE2 PHE 66 0.276 -35.670 2.620 540 HE2 PHE 66 HE1 PHE 66 -1.037 -35.647 6.676 541 HZ PHE 66 HZ PHE 66 -0.849 -36.791 4.503 542 H ILE 67 H ILE 67 -0.693 -30.203 6.758 543 HA ILE 67 HA ILE 67 -3.122 -31.586 6.666 544 HB ILE 67 HB ILE 67 -2.475 -29.060 8.212 545 HG12 ILE 67 2HG1 ILE 67 -2.343 -31.977 9.041 546 HG13 ILE 67 3HG1 ILE 67 -0.956 -30.955 8.683 547 HG21 ILE 67 1HG2 ILE 67 -4.708 -31.055 8.618 548 HG22 ILE 67 2HG2 ILE 67 -4.881 -29.380 8.091 549 HG23 ILE 67 3HG2 ILE 67 -4.306 -29.736 9.719 550 HD11 ILE 67 3HD1 ILE 67 -1.518 -29.526 10.581 551 HD12 ILE 67 1HD1 ILE 67 -1.276 -31.202 11.070 552 HD13 ILE 67 2HD1 ILE 67 -2.908 -30.552 10.938 553 H ARG 68 H ARG 68 -2.451 -28.191 5.843 554 HA ARG 68 HA ARG 68 -5.087 -27.488 5.094 555 HB2 ARG 68 2HB ARG 68 -2.412 -26.345 4.253 556 HB3 ARG 68 3HB ARG 68 -3.955 -25.622 3.823 557 HG2 ARG 68 2HG ARG 68 -4.457 -25.214 6.165 558 HG3 ARG 68 3HG ARG 68 -2.967 -26.030 6.649 559 HD2 ARG 68 2HD ARG 68 -2.758 -23.567 6.676 560 HD3 ARG 68 3HD ARG 68 -1.630 -24.332 5.558 561 HE ARG 68 HE ARG 68 -4.119 -22.970 4.732 562 HH11 ARG 68 1HH1 ARG 68 -0.838 -23.876 4.155 563 HH12 ARG 68 2HH1 ARG 68 -0.759 -23.034 2.646 564 HH21 ARG 68 1HH2 ARG 68 -3.985 -21.876 2.805 565 HH22 ARG 68 2HH2 ARG 68 -2.510 -21.921 1.896 566 H ASP 69 H ASP 69 -2.283 -28.378 3.063 567 HA ASP 69 HA ASP 69 -3.554 -28.122 0.590 568 HB2 ASP 69 2HB ASP 69 -1.094 -28.223 0.983 569 HB3 ASP 69 3HB ASP 69 -1.241 -29.953 1.270 570 H SER 70 H SER 70 -3.362 -30.934 2.741 571 HA SER 70 HA SER 70 -4.465 -32.736 0.756 572 HB2 SER 70 2HB SER 70 -4.338 -34.438 2.529 573 HB3 SER 70 3HB SER 70 -2.816 -33.558 2.391 574 HG SER 70 HG SER 70 -3.069 -32.829 4.344 575 H LEU 71 H LEU 71 -5.587 -31.847 4.047 576 HA LEU 71 HA LEU 71 -8.203 -32.901 3.551 577 HB2 LEU 71 2HB LEU 71 -7.160 -32.930 5.776 578 HB3 LEU 71 3HB LEU 71 -7.196 -31.178 5.821 579 HG LEU 71 HG LEU 71 -9.686 -31.261 5.757 580 HD11 LEU 71 1HD1 LEU 71 -9.272 -34.236 6.046 581 HD12 LEU 71 2HD1 LEU 71 -9.984 -33.403 4.663 582 HD13 LEU 71 3HD1 LEU 71 -10.809 -33.389 6.220 583 HD21 LEU 71 3HD2 LEU 71 -9.973 -31.992 8.072 584 HD22 LEU 71 1HD2 LEU 71 -8.506 -31.034 7.873 585 HD23 LEU 71 2HD2 LEU 71 -8.398 -32.788 8.021 586 H GLU 72 H GLU 72 -6.878 -29.629 3.749 587 HA GLU 72 HA GLU 72 -7.716 -27.574 3.375 588 HB2 GLU 72 2HB GLU 72 -8.726 -29.254 1.191 589 HB3 GLU 72 3HB GLU 72 -9.632 -27.766 1.416 590 HG2 GLU 72 2HG GLU 72 -6.637 -27.868 1.128 591 HG3 GLU 72 3HG GLU 72 -7.743 -27.642 -0.224 592 H HIS 73 H HIS 73 -8.685 -27.683 5.559 593 HA HIS 73 HA HIS 73 -11.575 -27.621 5.638 594 HB2 HIS 73 2HB HIS 73 -11.206 -26.604 7.938 595 HB3 HIS 73 3HB HIS 73 -10.548 -28.217 7.710 596 HD1 HIS 73 HD1 HIS 73 -8.064 -28.516 8.070 597 HD2 HIS 73 HD2 HIS 73 -9.220 -24.525 8.077 598 HE1 HIS 73 HE1 HIS 73 -6.047 -27.235 8.820 599 HE2 HIS 73 HE2 HIS 73 -6.834 -24.860 9.018 600 H HIS 74 H HIS 74 -12.610 -26.072 4.586 601 HA HIS 74 HA HIS 74 -11.304 -23.924 3.365 602 HB2 HIS 74 2HB HIS 74 -14.283 -24.072 3.852 603 HB3 HIS 74 3HB HIS 74 -13.445 -23.243 2.542 604 HD1 HIS 74 HD1 HIS 74 -12.111 -24.926 0.847 605 HD2 HIS 74 HD2 HIS 74 -15.072 -26.598 3.231 606 HE1 HIS 74 HE1 HIS 74 -12.667 -27.128 -0.216 607 HE2 HIS 74 HE2 HIS 74 -14.385 -28.167 1.302 608 H HIS 75 H HIS 75 -10.211 -22.636 4.818 609 HA HIS 75 HA HIS 75 -11.346 -21.669 7.219 610 HB2 HIS 75 2HB HIS 75 -8.925 -21.933 6.932 611 HB3 HIS 75 3HB HIS 75 -8.917 -20.628 5.747 612 HD1 HIS 75 HD1 HIS 75 -10.498 -20.826 9.214 613 HD2 HIS 75 HD2 HIS 75 -7.837 -18.495 7.023 614 HE1 HIS 75 HE1 HIS 75 -9.906 -18.892 10.701 615 HE2 HIS 75 HE2 HIS 75 -8.376 -17.452 9.328 616 H HIS 76 H HIS 76 -11.622 -20.457 3.983 617 HA HIS 76 HA HIS 76 -12.301 -17.776 4.690 618 HB2 HIS 76 2HB HIS 76 -12.813 -19.452 2.244 619 HB3 HIS 76 3HB HIS 76 -13.560 -17.866 2.413 620 HD1 HIS 76 HD1 HIS 76 -10.639 -19.389 1.045 621 HD2 HIS 76 HD2 HIS 76 -11.431 -15.813 3.003 622 HE1 HIS 76 HE1 HIS 76 -8.727 -17.870 0.472 623 HE2 HIS 76 HE2 HIS 76 -9.307 -15.673 1.541 624 H HIS 77 H HIS 77 -13.839 -20.640 5.399 625 HA HIS 77 HA HIS 77 -16.243 -19.118 6.186 626 HB2 HIS 77 2HB HIS 77 -16.073 -22.033 5.378 627 HB3 HIS 77 3HB HIS 77 -17.473 -21.319 6.169 628 HD1 HIS 77 HD1 HIS 77 -17.142 -22.549 3.149 629 HD2 HIS 77 HD2 HIS 77 -17.628 -18.579 4.279 630 HE1 HIS 77 HE1 HIS 77 -18.110 -21.391 1.146 631 HE2 HIS 77 HE2 HIS 77 -18.242 -18.968 1.795 632 H HIS 78 H HIS 78 -14.332 -22.039 7.018 633 HA HIS 78 HA HIS 78 -14.882 -21.498 9.871 634 HB2 HIS 78 2HB HIS 78 -15.833 -23.616 8.970 635 HB3 HIS 78 3HB HIS 78 -14.204 -24.155 8.585 636 HD1 HIS 78 HD1 HIS 78 -12.799 -25.088 10.504 637 HD2 HIS 78 HD2 HIS 78 -16.464 -23.556 11.720 638 HE1 HIS 78 HE1 HIS 78 -13.087 -25.837 12.883 639 HE2 HIS 78 HE2 HIS 78 -15.366 -25.011 13.551 Start of MODEL 8 1 H1 MET 1 1H MET 1 11.840 -6.601 -3.024 2 H2 MET 1 2H MET 1 12.636 -5.185 -3.500 3 H3 MET 1 3H MET 1 10.956 -5.305 -3.667 4 HA MET 1 HA MET 1 12.456 -5.280 -1.106 5 HB2 MET 1 2HB MET 1 10.624 -3.205 -2.343 6 HB3 MET 1 3HB MET 1 11.349 -3.097 -0.744 7 HG2 MET 1 2HG MET 1 12.817 -3.114 -3.374 8 HG3 MET 1 3HG MET 1 12.542 -1.716 -2.335 9 HE1 MET 1 3HE MET 1 15.099 -1.072 -2.228 10 HE2 MET 1 1HE MET 1 15.405 -2.372 -3.377 11 HE3 MET 1 2HE MET 1 16.381 -2.241 -1.914 12 H ALA 2 H ALA 2 11.427 -6.704 0.211 13 HA ALA 2 HA ALA 2 8.692 -6.335 0.922 14 HB1 ALA 2 3HB ALA 2 7.724 -8.399 0.128 15 HB2 ALA 2 1HB ALA 2 9.259 -8.889 -0.590 16 HB3 ALA 2 2HB ALA 2 8.380 -7.510 -1.247 17 H GLN 3 H GLN 3 8.225 -7.248 2.888 18 HA GLN 3 HA GLN 3 10.264 -8.971 4.113 19 HB2 GLN 3 2HB GLN 3 7.999 -7.366 5.302 20 HB3 GLN 3 3HB GLN 3 8.947 -8.513 6.237 21 HG2 GLN 3 2HG GLN 3 10.991 -7.210 5.633 22 HG3 GLN 3 3HG GLN 3 9.939 -6.009 4.884 23 HE21 GLN 3 1HE2 GLN 3 10.887 -7.502 7.897 24 HE22 GLN 3 2HE2 GLN 3 10.266 -6.257 8.925 25 H ILE 4 H ILE 4 9.944 -11.082 3.844 26 HA ILE 4 HA ILE 4 7.403 -12.256 3.293 27 HB ILE 4 HB ILE 4 9.976 -13.624 4.126 28 HG12 ILE 4 2HG1 ILE 4 10.335 -12.258 2.130 29 HG13 ILE 4 3HG1 ILE 4 10.345 -13.964 1.699 30 HG21 ILE 4 1HG2 ILE 4 8.038 -15.076 4.365 31 HG22 ILE 4 2HG2 ILE 4 9.040 -15.600 3.011 32 HG23 ILE 4 3HG2 ILE 4 7.543 -14.716 2.709 33 HD11 ILE 4 3HD1 ILE 4 8.048 -13.761 0.880 34 HD12 ILE 4 1HD1 ILE 4 9.150 -12.659 0.053 35 HD13 ILE 4 2HD1 ILE 4 8.061 -12.045 1.297 36 H ILE 5 H ILE 5 5.960 -11.874 4.963 37 HA ILE 5 HA ILE 5 6.708 -12.585 7.704 38 HB ILE 5 HB ILE 5 4.171 -11.281 6.682 39 HG12 ILE 5 2HG1 ILE 5 6.137 -9.850 6.329 40 HG13 ILE 5 3HG1 ILE 5 5.108 -9.191 7.593 41 HG21 ILE 5 1HG2 ILE 5 3.845 -12.476 8.796 42 HG22 ILE 5 2HG2 ILE 5 3.735 -10.730 9.022 43 HG23 ILE 5 3HG2 ILE 5 5.196 -11.591 9.509 44 HD11 ILE 5 3HD1 ILE 5 6.628 -10.063 9.287 45 HD12 ILE 5 1HD1 ILE 5 7.460 -8.992 8.159 46 HD13 ILE 5 2HD1 ILE 5 7.653 -10.739 8.021 47 H PHE 6 H PHE 6 6.605 -14.767 7.937 48 HA PHE 6 HA PHE 6 3.921 -15.976 7.730 49 HB2 PHE 6 2HB PHE 6 6.543 -17.163 6.814 50 HB3 PHE 6 3HB PHE 6 5.193 -18.191 7.276 51 HD1 PHE 6 HD2 PHE 6 6.287 -15.597 4.872 52 HD2 PHE 6 HD1 PHE 6 3.361 -18.547 5.817 53 HE1 PHE 6 HE2 PHE 6 5.359 -15.400 2.601 54 HE2 PHE 6 HE1 PHE 6 2.426 -18.352 3.549 55 HZ PHE 6 HZ PHE 6 3.426 -16.776 1.937 56 H ASN 7 H ASN 7 3.240 -16.958 9.564 57 HA ASN 7 HA ASN 7 4.881 -16.882 11.909 58 HB2 ASN 7 2HB ASN 7 2.394 -16.573 11.935 59 HB3 ASN 7 3HB ASN 7 2.219 -18.285 11.562 60 HD21 ASN 7 1HD2 ASN 7 1.121 -18.671 13.503 61 HD22 ASN 7 2HD2 ASN 7 1.945 -18.708 15.016 62 H GLU 8 H GLU 8 6.665 -18.179 11.150 63 HA GLU 8 HA GLU 8 6.290 -20.974 10.597 64 HB2 GLU 8 2HB GLU 8 8.807 -21.016 10.578 65 HB3 GLU 8 3HB GLU 8 8.070 -19.887 9.451 66 HG2 GLU 8 2HG GLU 8 8.469 -18.086 11.188 67 HG3 GLU 8 3HG GLU 8 9.452 -19.267 12.053 68 H GLU 9 H GLU 9 5.177 -21.622 12.515 69 HA GLU 9 HA GLU 9 6.446 -21.529 15.080 70 HB2 GLU 9 2HB GLU 9 4.087 -23.165 14.121 71 HB3 GLU 9 3HB GLU 9 4.601 -23.033 15.799 72 HG2 GLU 9 2HG GLU 9 4.148 -20.622 15.741 73 HG3 GLU 9 3HG GLU 9 3.623 -20.766 14.063 74 H TRP 10 H TRP 10 8.506 -22.457 14.627 75 HA TRP 10 HA TRP 10 8.754 -25.246 13.956 76 HB2 TRP 10 2HB TRP 10 10.778 -23.360 15.205 77 HB3 TRP 10 3HB TRP 10 11.134 -24.956 14.555 78 HD1 TRP 10 HD1 TRP 10 10.568 -21.359 13.507 79 HE1 TRP 10 HE1 TRP 10 11.054 -21.122 10.993 80 HE3 TRP 10 HE3 TRP 10 11.012 -26.308 12.296 81 HZ2 TRP 10 HZ2 TRP 10 11.559 -22.802 8.787 82 HZ3 TRP 10 HZ3 TRP 10 11.495 -26.907 9.958 83 HH2 TRP 10 HH2 TRP 10 11.762 -25.190 8.241 84 H MET 11 H MET 11 8.701 -26.979 15.312 85 HA MET 11 HA MET 11 9.250 -26.676 18.150 86 HB2 MET 11 2HB MET 11 7.068 -27.694 18.824 87 HB3 MET 11 3HB MET 11 6.922 -26.080 18.148 88 HG2 MET 11 2HG MET 11 6.270 -27.092 15.981 89 HG3 MET 11 3HG MET 11 6.311 -28.678 16.751 90 HE1 MET 11 3HE MET 11 4.578 -25.146 16.698 91 HE2 MET 11 1HE MET 11 5.115 -25.294 18.370 92 HE3 MET 11 2HE MET 11 3.391 -25.318 17.992 93 H VAL 12 H VAL 12 9.900 -28.572 19.145 94 HA VAL 12 HA VAL 12 10.811 -30.703 17.520 95 HB VAL 12 HB VAL 12 11.388 -31.851 19.625 96 HG11 VAL 12 1HG1 VAL 12 12.054 -28.904 19.643 97 HG12 VAL 12 2HG1 VAL 12 12.906 -30.159 18.743 98 HG13 VAL 12 3HG1 VAL 12 12.935 -30.166 20.505 99 HG21 VAL 12 3HG2 VAL 12 9.440 -31.267 20.963 100 HG22 VAL 12 1HG2 VAL 12 9.921 -29.570 20.967 101 HG23 VAL 12 2HG2 VAL 12 10.915 -30.773 21.790 102 H GLU 13 H GLU 13 10.277 -33.053 17.973 103 HA GLU 13 HA GLU 13 7.695 -33.674 17.186 104 HB2 GLU 13 2HB GLU 13 9.622 -35.212 16.998 105 HB3 GLU 13 3HB GLU 13 9.602 -35.446 18.741 106 HG2 GLU 13 2HG GLU 13 7.273 -36.348 18.504 107 HG3 GLU 13 3HG GLU 13 7.498 -36.287 16.757 108 H LYS 14 H LYS 14 9.039 -33.765 20.475 109 HA LYS 14 HA LYS 14 6.777 -34.745 21.809 110 HB2 LYS 14 2HB LYS 14 9.106 -34.598 22.726 111 HB3 LYS 14 3HB LYS 14 8.880 -32.866 22.913 112 HG2 LYS 14 2HG LYS 14 6.948 -34.731 24.219 113 HG3 LYS 14 3HG LYS 14 8.541 -34.495 24.938 114 HD2 LYS 14 2HD LYS 14 6.618 -32.262 24.270 115 HD3 LYS 14 3HD LYS 14 6.779 -32.995 25.869 116 HE2 LYS 14 2HE LYS 14 9.110 -32.280 25.975 117 HE3 LYS 14 3HE LYS 14 8.994 -31.599 24.351 118 HZ1 LYS 14 3HZ LYS 14 8.781 -29.934 26.118 119 HZ2 LYS 14 1HZ LYS 14 7.382 -30.701 26.679 120 HZ3 LYS 14 2HZ LYS 14 7.404 -30.001 25.136 121 H ALA 15 H ALA 15 7.652 -31.425 20.937 122 HA ALA 15 HA ALA 15 5.445 -30.227 22.348 123 HB1 ALA 15 3HB ALA 15 6.090 -28.166 21.180 124 HB2 ALA 15 1HB ALA 15 7.213 -29.086 20.177 125 HB3 ALA 15 2HB ALA 15 7.485 -28.955 21.914 126 H LEU 16 H LEU 16 6.076 -31.252 19.037 127 HA LEU 16 HA LEU 16 3.804 -30.091 17.833 128 HB2 LEU 16 2HB LEU 16 5.852 -30.878 16.657 129 HB3 LEU 16 3HB LEU 16 5.361 -32.530 16.961 130 HG LEU 16 HG LEU 16 4.942 -31.580 14.631 131 HD11 LEU 16 1HD1 LEU 16 2.857 -32.779 14.334 132 HD12 LEU 16 2HD1 LEU 16 2.569 -32.766 16.074 133 HD13 LEU 16 3HD1 LEU 16 3.931 -33.670 15.411 134 HD21 LEU 16 3HD2 LEU 16 2.903 -30.276 14.311 135 HD22 LEU 16 1HD2 LEU 16 4.075 -29.403 15.299 136 HD23 LEU 16 2HD2 LEU 16 2.681 -30.173 16.059 137 H MET 17 H MET 17 4.355 -33.349 19.186 138 HA MET 17 HA MET 17 1.862 -34.440 18.476 139 HB2 MET 17 2HB MET 17 2.269 -36.132 20.195 140 HB3 MET 17 3HB MET 17 3.712 -35.838 19.241 141 HG2 MET 17 2HG MET 17 4.616 -34.455 21.046 142 HG3 MET 17 3HG MET 17 3.168 -34.767 22.002 143 HE1 MET 17 3HE MET 17 6.218 -38.021 20.805 144 HE2 MET 17 1HE MET 17 6.331 -36.332 20.315 145 HE3 MET 17 2HE MET 17 5.052 -37.356 19.663 146 H VAL 18 H VAL 18 2.751 -32.307 21.099 147 HA VAL 18 HA VAL 18 0.369 -32.543 22.629 148 HB VAL 18 HB VAL 18 2.170 -30.118 22.364 149 HG11 VAL 18 1HG1 VAL 18 1.336 -29.518 24.595 150 HG12 VAL 18 2HG1 VAL 18 0.247 -30.905 24.560 151 HG13 VAL 18 3HG1 VAL 18 0.034 -29.586 23.408 152 HG21 VAL 18 3HG2 VAL 18 3.466 -32.083 22.994 153 HG22 VAL 18 1HG2 VAL 18 2.339 -32.426 24.307 154 HG23 VAL 18 2HG2 VAL 18 3.330 -30.968 24.356 155 H ARG 19 H ARG 19 1.364 -30.247 20.096 156 HA ARG 19 HA ARG 19 -1.022 -28.732 20.043 157 HB2 ARG 19 2HB ARG 19 1.136 -29.170 17.968 158 HB3 ARG 19 3HB ARG 19 -0.184 -28.031 17.753 159 HG2 ARG 19 2HG ARG 19 1.710 -27.894 20.088 160 HG3 ARG 19 3HG ARG 19 2.016 -27.079 18.553 161 HD2 ARG 19 2HD ARG 19 -0.134 -25.875 18.799 162 HD3 ARG 19 3HD ARG 19 -0.361 -26.647 20.369 163 HE ARG 19 HE ARG 19 1.354 -25.325 21.255 164 HH11 ARG 19 1HH1 ARG 19 0.750 -24.592 17.936 165 HH12 ARG 19 2HH1 ARG 19 1.676 -23.134 17.971 166 HH21 ARG 19 1HH2 ARG 19 2.505 -23.427 21.297 167 HH22 ARG 19 2HH2 ARG 19 2.668 -22.492 19.852 168 H THR 20 H THR 20 -0.029 -31.592 18.175 169 HA THR 20 HA THR 20 -2.433 -31.417 16.506 170 HB THR 20 HB THR 20 -1.424 -33.253 15.193 171 HG1 THR 20 HG1 THR 20 1.004 -33.038 16.556 172 HG21 THR 20 3HG2 THR 20 0.457 -31.994 14.282 173 HG22 THR 20 1HG2 THR 20 0.514 -30.990 15.731 174 HG23 THR 20 2HG2 THR 20 -0.878 -30.903 14.651 175 H GLY 21 H GLY 21 -1.128 -33.451 19.063 176 HA2 GLY 21 2HA GLY 21 -2.417 -34.876 20.427 177 HA3 GLY 21 3HA GLY 21 -3.685 -34.874 19.212 178 H LEU 22 H LEU 22 -0.720 -35.410 17.737 179 HA LEU 22 HA LEU 22 -1.289 -38.206 17.285 180 HB2 LEU 22 2HB LEU 22 0.769 -36.275 16.275 181 HB3 LEU 22 3HB LEU 22 1.043 -37.995 16.073 182 HG LEU 22 HG LEU 22 -1.005 -38.209 14.764 183 HD11 LEU 22 1HD1 LEU 22 -1.303 -35.220 15.130 184 HD12 LEU 22 2HD1 LEU 22 -2.344 -36.458 15.832 185 HD13 LEU 22 3HD1 LEU 22 -2.294 -36.238 14.083 186 HD21 LEU 22 3HD2 LEU 22 1.086 -37.673 13.606 187 HD22 LEU 22 1HD2 LEU 22 0.747 -35.949 13.778 188 HD23 LEU 22 2HD2 LEU 22 -0.301 -36.964 12.785 189 H GLY 23 H GLY 23 0.274 -39.944 17.634 190 HA2 GLY 23 2HA GLY 23 1.952 -39.523 20.037 191 HA3 GLY 23 3HA GLY 23 1.302 -41.072 19.515 192 H ALA 24 H ALA 24 4.079 -40.461 20.112 193 HA ALA 24 HA ALA 24 5.704 -39.869 17.951 194 HB1 ALA 24 3HB ALA 24 6.473 -40.106 20.284 195 HB2 ALA 24 1HB ALA 24 7.488 -40.993 19.143 196 HB3 ALA 24 2HB ALA 24 6.313 -41.857 20.137 197 H ARG 25 H ARG 25 4.340 -43.025 18.859 198 HA ARG 25 HA ARG 25 5.677 -44.568 16.917 199 HB2 ARG 25 2HB ARG 25 3.991 -46.283 17.330 200 HB3 ARG 25 3HB ARG 25 4.527 -45.570 18.842 201 HG2 ARG 25 2HG ARG 25 2.492 -44.208 18.925 202 HG3 ARG 25 3HG ARG 25 1.956 -44.921 17.405 203 HD2 ARG 25 2HD ARG 25 2.410 -46.378 20.014 204 HD3 ARG 25 3HD ARG 25 0.850 -46.008 19.279 205 HE ARG 25 HE ARG 25 2.724 -47.662 17.758 206 HH11 ARG 25 1HH1 ARG 25 -0.175 -47.470 19.628 207 HH12 ARG 25 2HH1 ARG 25 -0.731 -49.022 19.099 208 HH21 ARG 25 1HH2 ARG 25 2.005 -49.638 17.114 209 HH22 ARG 25 2HH2 ARG 25 0.501 -50.249 17.717 210 H GLN 26 H GLN 26 2.870 -42.502 16.663 211 HA GLN 26 HA GLN 26 2.138 -43.477 14.021 212 HB2 GLN 26 2HB GLN 26 0.452 -42.599 15.667 213 HB3 GLN 26 3HB GLN 26 1.149 -40.998 15.460 214 HG2 GLN 26 2HG GLN 26 0.583 -41.101 13.056 215 HG3 GLN 26 3HG GLN 26 -0.186 -42.662 13.332 216 HE21 GLN 26 1HE2 GLN 26 -1.354 -40.199 12.346 217 HE22 GLN 26 2HE2 GLN 26 -2.633 -39.794 13.432 218 H ILE 27 H ILE 27 3.757 -40.668 15.444 219 HA ILE 27 HA ILE 27 3.970 -39.077 13.154 220 HB ILE 27 HB ILE 27 5.835 -39.224 15.534 221 HG12 ILE 27 2HG1 ILE 27 3.511 -37.371 14.908 222 HG13 ILE 27 3HG1 ILE 27 3.484 -38.682 16.082 223 HG21 ILE 27 1HG2 ILE 27 6.570 -36.968 14.882 224 HG22 ILE 27 2HG2 ILE 27 5.586 -37.074 13.420 225 HG23 ILE 27 3HG2 ILE 27 6.957 -38.164 13.644 226 HD11 ILE 27 3HD1 ILE 27 3.751 -36.529 17.163 227 HD12 ILE 27 1HD1 ILE 27 5.214 -36.223 16.227 228 HD13 ILE 27 2HD1 ILE 27 5.179 -37.534 17.406 229 H GLU 28 H GLU 28 6.161 -41.641 14.330 230 HA GLU 28 HA GLU 28 8.177 -41.286 12.385 231 HB2 GLU 28 2HB GLU 28 8.844 -43.611 12.903 232 HB3 GLU 28 3HB GLU 28 8.577 -42.646 14.348 233 HG2 GLU 28 2HG GLU 28 6.402 -43.685 14.671 234 HG3 GLU 28 3HG GLU 28 6.616 -44.622 13.191 235 H SER 29 H SER 29 5.124 -43.043 12.280 236 HA SER 29 HA SER 29 5.494 -44.395 9.831 237 HB2 SER 29 2HB SER 29 3.637 -44.903 11.380 238 HB3 SER 29 3HB SER 29 2.912 -43.338 11.020 239 HG SER 29 HG SER 29 2.150 -45.306 9.826 240 H TYR 30 H TYR 30 4.677 -41.080 10.566 241 HA TYR 30 HA TYR 30 4.190 -40.421 7.772 242 HB2 TYR 30 2HB TYR 30 4.284 -38.710 10.263 243 HB3 TYR 30 3HB TYR 30 3.984 -38.071 8.648 244 HD1 TYR 30 HD2 TYR 30 2.055 -39.425 7.334 245 HD2 TYR 30 HD1 TYR 30 2.408 -39.142 11.573 246 HE1 TYR 30 HE2 TYR 30 -0.336 -39.940 7.563 247 HE2 TYR 30 HE1 TYR 30 0.015 -39.660 11.806 248 HH TYR 30 HH TYR 30 -2.076 -39.440 10.343 249 H ARG 31 H ARG 31 6.791 -40.175 10.115 250 HA ARG 31 HA ARG 31 8.447 -38.379 8.706 251 HB2 ARG 31 2HB ARG 31 8.986 -40.453 10.817 252 HB3 ARG 31 3HB ARG 31 10.313 -39.579 10.066 253 HG2 ARG 31 2HG ARG 31 9.279 -37.450 10.782 254 HG3 ARG 31 3HG ARG 31 8.021 -38.368 11.607 255 HD2 ARG 31 2HD ARG 31 10.930 -38.820 12.209 256 HD3 ARG 31 3HD ARG 31 10.035 -37.516 12.981 257 HE ARG 31 HE ARG 31 8.463 -39.524 13.585 258 HH11 ARG 31 1HH1 ARG 31 11.897 -39.453 13.592 259 HH12 ARG 31 2HH1 ARG 31 12.028 -40.557 14.913 260 HH21 ARG 31 1HH2 ARG 31 8.639 -40.945 15.288 261 HH22 ARG 31 2HH2 ARG 31 10.200 -41.423 15.841 262 H GLN 32 H GLN 32 7.732 -41.692 8.103 263 HA GLN 32 HA GLN 32 10.182 -42.289 6.715 264 HB2 GLN 32 2HB GLN 32 9.158 -44.411 6.163 265 HB3 GLN 32 3HB GLN 32 8.867 -44.037 7.855 266 HG2 GLN 32 2HG GLN 32 6.595 -43.317 7.305 267 HG3 GLN 32 3HG GLN 32 6.892 -43.695 5.609 268 HE21 GLN 32 1HE2 GLN 32 5.249 -45.217 5.541 269 HE22 GLN 32 2HE2 GLN 32 5.379 -46.754 6.317 270 H GLY 33 H GLY 33 7.511 -40.436 5.813 271 HA2 GLY 33 2HA GLY 33 8.359 -40.409 3.050 272 HA3 GLY 33 3HA GLY 33 6.799 -41.173 3.273 273 H ALA 34 H ALA 34 5.592 -39.542 5.147 274 HA ALA 34 HA ALA 34 4.696 -37.428 3.469 275 HB1 ALA 34 3HB ALA 34 3.224 -36.825 5.314 276 HB2 ALA 34 1HB ALA 34 4.140 -37.866 6.402 277 HB3 ALA 34 2HB ALA 34 3.231 -38.571 5.065 278 H TRP 35 H TRP 35 6.785 -37.445 6.339 279 HA TRP 35 HA TRP 35 7.009 -34.599 6.520 280 HB2 TRP 35 2HB TRP 35 8.438 -36.914 7.773 281 HB3 TRP 35 3HB TRP 35 9.125 -35.309 7.920 282 HD1 TRP 35 HD1 TRP 35 8.794 -35.417 10.547 283 HE1 TRP 35 HE1 TRP 35 6.758 -35.035 12.060 284 HE3 TRP 35 HE3 TRP 35 5.065 -35.772 7.045 285 HZ2 TRP 35 HZ2 TRP 35 3.965 -34.888 11.822 286 HZ3 TRP 35 HZ3 TRP 35 2.738 -35.488 7.787 287 HH2 TRP 35 HH2 TRP 35 2.201 -35.056 10.127 288 H ILE 36 H ILE 36 7.832 -33.518 4.802 289 HA ILE 36 HA ILE 36 10.282 -34.466 3.501 290 HB ILE 36 HB ILE 36 8.551 -32.072 2.820 291 HG12 ILE 36 2HG1 ILE 36 8.652 -34.810 1.511 292 HG13 ILE 36 3HG1 ILE 36 7.361 -34.241 2.564 293 HG21 ILE 36 1HG2 ILE 36 10.850 -31.830 2.030 294 HG22 ILE 36 2HG2 ILE 36 9.749 -32.080 0.676 295 HG23 ILE 36 3HG2 ILE 36 10.761 -33.408 1.246 296 HD11 ILE 36 3HD1 ILE 36 8.120 -33.039 -0.091 297 HD12 ILE 36 1HD1 ILE 36 6.812 -32.495 0.960 298 HD13 ILE 36 2HD1 ILE 36 6.740 -34.095 0.219 299 H GLU 37 H GLU 37 12.260 -33.571 3.865 300 HA GLU 37 HA GLU 37 12.686 -31.736 5.977 301 HB2 GLU 37 2HB GLU 37 15.040 -31.788 5.339 302 HB3 GLU 37 3HB GLU 37 14.362 -33.411 5.321 303 HG2 GLU 37 2HG GLU 37 14.194 -33.340 2.896 304 HG3 GLU 37 3HG GLU 37 14.798 -31.685 2.885 305 H GLY 38 H GLY 38 13.434 -29.572 5.947 306 HA2 GLY 38 2HA GLY 38 13.666 -27.416 5.125 307 HA3 GLY 38 3HA GLY 38 13.480 -28.045 3.494 308 H VAL 39 H VAL 39 11.004 -29.247 3.644 309 HA VAL 39 HA VAL 39 9.259 -26.949 3.567 310 HB VAL 39 HB VAL 39 8.641 -29.863 2.998 311 HG11 VAL 39 1HG1 VAL 39 6.618 -28.610 3.484 312 HG12 VAL 39 2HG1 VAL 39 6.699 -28.974 1.760 313 HG13 VAL 39 3HG1 VAL 39 7.090 -27.353 2.339 314 HG21 VAL 39 3HG2 VAL 39 8.885 -29.257 0.635 315 HG22 VAL 39 1HG2 VAL 39 10.387 -28.986 1.520 316 HG23 VAL 39 2HG2 VAL 39 9.353 -27.620 1.096 317 H HIS 40 H HIS 40 8.927 -30.160 5.168 318 HA HIS 40 HA HIS 40 6.935 -28.977 6.956 319 HB2 HIS 40 2HB HIS 40 7.547 -31.758 6.079 320 HB3 HIS 40 3HB HIS 40 6.805 -31.545 7.661 321 HD1 HIS 40 HD1 HIS 40 6.018 -29.643 4.451 322 HD2 HIS 40 HD2 HIS 40 4.207 -32.180 7.200 323 HE1 HIS 40 HE1 HIS 40 3.605 -29.739 3.781 324 HE2 HIS 40 HE2 HIS 40 2.500 -31.080 5.598 325 H PHE 41 H PHE 41 10.230 -30.071 7.096 326 HA PHE 41 HA PHE 41 10.365 -29.101 9.835 327 HB2 PHE 41 2HB PHE 41 11.393 -31.073 10.785 328 HB3 PHE 41 3HB PHE 41 9.838 -31.520 10.100 329 HD1 PHE 41 HD2 PHE 41 13.478 -31.845 9.781 330 HD2 PHE 41 HD1 PHE 41 9.699 -32.990 8.174 331 HE1 PHE 41 HE2 PHE 41 14.567 -33.645 8.513 332 HE2 PHE 41 HE1 PHE 41 10.790 -34.798 6.909 333 HZ PHE 41 HZ PHE 41 13.222 -35.127 7.076 334 H LYS 42 H LYS 42 12.702 -29.049 10.636 335 HA LYS 42 HA LYS 42 14.653 -29.026 8.427 336 HB2 LYS 42 2HB LYS 42 15.508 -26.896 8.933 337 HB3 LYS 42 3HB LYS 42 13.764 -26.680 8.990 338 HG2 LYS 42 2HG LYS 42 13.830 -26.846 11.450 339 HG3 LYS 42 3HG LYS 42 15.583 -27.027 11.380 340 HD2 LYS 42 2HD LYS 42 14.005 -24.622 10.445 341 HD3 LYS 42 3HD LYS 42 14.951 -24.726 11.929 342 HE2 LYS 42 2HE LYS 42 16.051 -24.957 9.123 343 HE3 LYS 42 3HE LYS 42 16.145 -23.524 10.143 344 HZ1 LYS 42 3HZ LYS 42 17.450 -24.845 11.743 345 HZ2 LYS 42 1HZ LYS 42 18.202 -24.727 10.234 346 HZ3 LYS 42 2HZ LYS 42 17.421 -26.155 10.674 347 H ARG 43 H ARG 43 16.907 -28.986 9.174 348 HA ARG 43 HA ARG 43 17.342 -30.589 11.561 349 HB2 ARG 43 2HB ARG 43 19.254 -29.496 9.478 350 HB3 ARG 43 3HB ARG 43 19.714 -30.584 10.783 351 HG2 ARG 43 2HG ARG 43 18.497 -32.378 9.870 352 HG3 ARG 43 3HG ARG 43 17.590 -31.320 8.788 353 HD2 ARG 43 2HD ARG 43 19.301 -32.613 7.594 354 HD3 ARG 43 3HD ARG 43 19.588 -30.878 7.488 355 HE ARG 43 HE ARG 43 21.123 -31.601 9.582 356 HH11 ARG 43 1HH1 ARG 43 20.796 -32.905 6.414 357 HH12 ARG 43 2HH1 ARG 43 22.455 -33.393 6.328 358 HH21 ARG 43 1HH2 ARG 43 23.251 -32.200 9.460 359 HH22 ARG 43 2HH2 ARG 43 23.844 -32.968 8.023 360 H VAL 44 H VAL 44 18.251 -29.850 13.458 361 HA VAL 44 HA VAL 44 18.970 -26.983 13.593 362 HB VAL 44 HB VAL 44 17.340 -28.586 15.578 363 HG11 VAL 44 1HG1 VAL 44 18.390 -25.767 15.873 364 HG12 VAL 44 2HG1 VAL 44 18.919 -27.171 16.799 365 HG13 VAL 44 3HG1 VAL 44 17.271 -26.573 16.972 366 HG21 VAL 44 3HG2 VAL 44 16.076 -27.743 13.673 367 HG22 VAL 44 1HG2 VAL 44 16.697 -26.117 13.955 368 HG23 VAL 44 2HG2 VAL 44 15.628 -26.870 15.139 369 H SER 45 H SER 45 20.594 -26.380 15.029 370 HA SER 45 HA SER 45 22.711 -28.230 15.395 371 HB2 SER 45 2HB SER 45 23.261 -25.929 15.065 372 HB3 SER 45 3HB SER 45 22.267 -25.423 16.429 373 HG SER 45 HG SER 45 24.848 -26.270 16.388 374 HA PRO 46 HA PRO 46 21.672 -29.793 19.474 375 HB2 PRO 46 2HB PRO 46 23.952 -31.094 20.025 376 HB3 PRO 46 3HB PRO 46 22.854 -31.651 18.755 377 HG2 PRO 46 2HG PRO 46 25.386 -30.055 18.498 378 HG3 PRO 46 3HG PRO 46 24.838 -31.444 17.539 379 HD2 PRO 46 2HD PRO 46 24.567 -28.838 16.732 380 HD3 PRO 46 3HD PRO 46 23.487 -30.147 16.209 381 H SER 47 H SER 47 23.060 -27.042 19.064 382 HA SER 47 HA SER 47 23.693 -25.331 20.396 383 HB2 SER 47 2HB SER 47 23.021 -27.246 22.641 384 HB3 SER 47 3HB SER 47 23.384 -25.533 22.864 385 HG SER 47 HG SER 47 21.132 -26.761 21.728 386 H GLY 48 H GLY 48 24.958 -27.963 22.459 387 HA2 GLY 48 2HA GLY 48 27.691 -26.960 21.895 388 HA3 GLY 48 3HA GLY 48 27.148 -27.234 23.541 389 H GLU 49 H GLU 49 25.643 -29.686 22.363 390 HA GLU 49 HA GLU 49 27.869 -31.522 22.819 391 HB2 GLU 49 2HB GLU 49 24.893 -32.039 22.568 392 HB3 GLU 49 3HB GLU 49 26.102 -33.260 22.952 393 HG2 GLU 49 2HG GLU 49 26.645 -32.140 25.019 394 HG3 GLU 49 3HG GLU 49 25.554 -30.811 24.622 395 H LYS 50 H LYS 50 29.050 -31.833 21.003 396 HA LYS 50 HA LYS 50 28.120 -31.748 18.362 397 HB2 LYS 50 2HB LYS 50 30.497 -31.532 19.018 398 HB3 LYS 50 3HB LYS 50 30.528 -33.240 19.440 399 HG2 LYS 50 2HG LYS 50 30.017 -33.803 17.088 400 HG3 LYS 50 3HG LYS 50 30.079 -32.085 16.687 401 HD2 LYS 50 2HD LYS 50 32.349 -33.749 17.795 402 HD3 LYS 50 3HD LYS 50 32.191 -33.180 16.133 403 HE2 LYS 50 2HE LYS 50 32.277 -30.853 16.946 404 HE3 LYS 50 3HE LYS 50 32.495 -31.449 18.591 405 HZ1 LYS 50 3HZ LYS 50 34.594 -30.828 17.533 406 HZ2 LYS 50 1HZ LYS 50 34.340 -31.987 16.331 407 HZ3 LYS 50 2HZ LYS 50 34.561 -32.466 17.936 408 H THR 51 H THR 51 26.343 -33.018 17.911 409 HA THR 51 HA THR 51 26.605 -35.941 18.308 410 HB THR 51 HB THR 51 24.179 -36.095 18.118 411 HG1 THR 51 HG1 THR 51 22.965 -34.092 17.979 412 HG21 THR 51 3HG2 THR 51 24.976 -33.914 20.058 413 HG22 THR 51 1HG2 THR 51 25.087 -35.650 20.353 414 HG23 THR 51 2HG2 THR 51 23.510 -34.888 20.146 415 H LEU 52 H LEU 52 25.720 -37.341 16.647 416 HA LEU 52 HA LEU 52 26.051 -36.297 13.924 417 HB2 LEU 52 2HB LEU 52 25.762 -39.133 14.956 418 HB3 LEU 52 3HB LEU 52 25.933 -38.711 13.264 419 HG LEU 52 HG LEU 52 28.060 -39.470 14.031 420 HD11 LEU 52 1HD1 LEU 52 28.104 -36.455 13.877 421 HD12 LEU 52 2HD1 LEU 52 28.152 -37.572 12.513 422 HD13 LEU 52 3HD1 LEU 52 29.494 -37.520 13.655 423 HD21 LEU 52 3HD2 LEU 52 29.252 -38.485 15.926 424 HD22 LEU 52 1HD2 LEU 52 27.723 -39.195 16.438 425 HD23 LEU 52 2HD2 LEU 52 27.869 -37.445 16.268 426 H ARG 53 H ARG 53 23.683 -36.020 15.877 427 HA ARG 53 HA ARG 53 21.545 -36.878 14.030 428 HB2 ARG 53 2HB ARG 53 21.426 -36.687 17.055 429 HB3 ARG 53 3HB ARG 53 20.069 -37.080 16.011 430 HG2 ARG 53 2HG ARG 53 22.578 -38.737 16.235 431 HG3 ARG 53 3HG ARG 53 21.096 -39.039 17.142 432 HD2 ARG 53 2HD ARG 53 19.899 -39.247 14.947 433 HD3 ARG 53 3HD ARG 53 21.470 -39.151 14.148 434 HE ARG 53 HE ARG 53 21.717 -41.163 15.997 435 HH11 ARG 53 1HH1 ARG 53 19.674 -40.550 13.284 436 HH12 ARG 53 2HH1 ARG 53 19.424 -42.231 12.967 437 HH21 ARG 53 1HH2 ARG 53 21.366 -43.308 15.579 438 HH22 ARG 53 2HH2 ARG 53 20.363 -43.766 14.248 439 H GLY 54 H GLY 54 21.169 -34.959 12.959 440 HA2 GLY 54 2HA GLY 54 21.135 -32.394 14.131 441 HA3 GLY 54 3HA GLY 54 20.356 -32.836 12.620 442 H THR 55 H THR 55 19.827 -31.716 15.716 443 HA THR 55 HA THR 55 17.504 -32.894 16.624 444 HB THR 55 HB THR 55 18.067 -29.918 16.762 445 HG1 THR 55 HG1 THR 55 19.243 -30.425 18.634 446 HG21 THR 55 3HG2 THR 55 15.812 -30.555 17.511 447 HG22 THR 55 1HG2 THR 55 16.809 -30.031 18.869 448 HG23 THR 55 2HG2 THR 55 16.513 -31.748 18.604 449 H THR 56 H THR 56 15.561 -33.173 15.701 450 HA THR 56 HA THR 56 14.961 -31.677 13.266 451 HB THR 56 HB THR 56 13.561 -34.110 14.399 452 HG1 THR 56 HG1 THR 56 15.971 -33.944 13.339 453 HG21 THR 56 3HG2 THR 56 13.458 -32.860 11.647 454 HG22 THR 56 1HG2 THR 56 12.151 -32.873 12.834 455 HG23 THR 56 2HG2 THR 56 12.701 -34.384 12.107 456 H TRP 57 H TRP 57 13.855 -29.846 13.513 457 HA TRP 57 HA TRP 57 11.586 -29.747 15.396 458 HB2 TRP 57 2HB TRP 57 13.201 -27.559 14.070 459 HB3 TRP 57 3HB TRP 57 11.680 -27.239 14.897 460 HD1 TRP 57 HD1 TRP 57 14.724 -29.400 16.033 461 HE1 TRP 57 HE1 TRP 57 15.441 -28.572 18.362 462 HE3 TRP 57 HE3 TRP 57 11.406 -25.541 16.608 463 HZ2 TRP 57 HZ2 TRP 57 14.713 -26.564 20.193 464 HZ3 TRP 57 HZ3 TRP 57 11.488 -24.219 18.682 465 HH2 TRP 57 HH2 TRP 57 13.105 -24.721 20.436 466 H TYR 58 H TYR 58 9.547 -29.731 14.664 467 HA TYR 58 HA TYR 58 9.066 -29.836 11.788 468 HB2 TYR 58 2HB TYR 58 7.127 -30.229 14.078 469 HB3 TYR 58 3HB TYR 58 6.823 -30.591 12.385 470 HD1 TYR 58 HD1 TYR 58 9.674 -31.869 11.970 471 HD2 TYR 58 HD2 TYR 58 6.578 -32.432 14.831 472 HE1 TYR 58 HE1 TYR 58 10.425 -34.183 12.327 473 HE2 TYR 58 HE2 TYR 58 7.322 -34.738 15.199 474 HH TYR 58 HH TYR 58 10.246 -35.902 14.276 475 H ASN 59 H ASN 59 7.420 -28.581 10.741 476 HA ASN 59 HA ASN 59 6.832 -25.975 11.959 477 HB2 ASN 59 2HB ASN 59 6.290 -27.040 9.170 478 HB3 ASN 59 3HB ASN 59 5.876 -25.419 9.717 479 HD21 ASN 59 1HD2 ASN 59 8.431 -27.566 8.828 480 HD22 ASN 59 2HD2 ASN 59 9.652 -26.365 8.671 481 H TYR 60 H TYR 60 5.079 -25.986 13.289 482 HA TYR 60 HA TYR 60 2.999 -27.813 13.311 483 HB2 TYR 60 2HB TYR 60 3.296 -26.358 15.188 484 HB3 TYR 60 3HB TYR 60 3.013 -24.925 14.205 485 HD1 TYR 60 HD1 TYR 60 1.257 -28.114 15.107 486 HD2 TYR 60 HD2 TYR 60 0.928 -23.929 14.389 487 HE1 TYR 60 HE1 TYR 60 -1.133 -28.207 15.676 488 HE2 TYR 60 HE2 TYR 60 -1.458 -24.012 14.965 489 HH TYR 60 HH TYR 60 -2.904 -26.710 16.457 490 HA PRO 61 HA PRO 61 0.372 -24.697 10.454 491 HB2 PRO 61 2HB PRO 61 2.712 -23.735 8.855 492 HB3 PRO 61 3HB PRO 61 1.217 -22.891 9.281 493 HG2 PRO 61 2HG PRO 61 3.483 -22.317 10.544 494 HG3 PRO 61 3HG PRO 61 1.955 -22.404 11.438 495 HD2 PRO 61 2HD PRO 61 4.200 -24.379 11.318 496 HD3 PRO 61 3HD PRO 61 3.168 -23.922 12.690 497 H GLU 62 H GLU 62 3.378 -26.195 9.230 498 HA GLU 62 HA GLU 62 2.238 -27.044 6.756 499 HB2 GLU 62 2HB GLU 62 4.788 -27.753 8.196 500 HB3 GLU 62 3HB GLU 62 4.335 -28.531 6.686 501 HG2 GLU 62 2HG GLU 62 4.696 -25.561 7.068 502 HG3 GLU 62 3HG GLU 62 5.884 -26.655 6.359 503 H ILE 63 H ILE 63 2.662 -28.647 9.882 504 HA ILE 63 HA ILE 63 1.742 -31.200 8.896 505 HB ILE 63 HB ILE 63 2.106 -30.221 11.735 506 HG12 ILE 63 2HG1 ILE 63 3.837 -31.962 9.950 507 HG13 ILE 63 3HG1 ILE 63 4.183 -30.302 10.417 508 HG21 ILE 63 1HG2 ILE 63 1.608 -33.027 10.712 509 HG22 ILE 63 2HG2 ILE 63 0.483 -32.055 11.662 510 HG23 ILE 63 3HG2 ILE 63 1.998 -32.599 12.379 511 HD11 ILE 63 3HD1 ILE 63 4.412 -30.988 12.733 512 HD12 ILE 63 1HD1 ILE 63 5.502 -31.897 11.685 513 HD13 ILE 63 2HD1 ILE 63 4.026 -32.653 12.285 514 H ASN 64 H ASN 64 0.292 -28.563 10.800 515 HA ASN 64 HA ASN 64 -2.278 -29.644 11.101 516 HB2 ASN 64 2HB ASN 64 -1.553 -27.638 12.303 517 HB3 ASN 64 3HB ASN 64 -1.423 -26.750 10.789 518 HD21 ASN 64 1HD2 ASN 64 -3.646 -28.228 13.046 519 HD22 ASN 64 2HD2 ASN 64 -5.034 -27.339 12.541 520 H LYS 65 H LYS 65 -0.868 -27.719 8.471 521 HA LYS 65 HA LYS 65 -3.067 -27.623 6.741 522 HB2 LYS 65 2HB LYS 65 -1.005 -26.341 6.394 523 HB3 LYS 65 3HB LYS 65 -0.119 -27.826 6.084 524 HG2 LYS 65 2HG LYS 65 -1.534 -28.208 4.083 525 HG3 LYS 65 3HG LYS 65 -2.317 -26.652 4.378 526 HD2 LYS 65 2HD LYS 65 0.630 -27.089 3.849 527 HD3 LYS 65 3HD LYS 65 -0.543 -26.453 2.697 528 HE2 LYS 65 2HE LYS 65 -0.907 -24.504 4.086 529 HE3 LYS 65 3HE LYS 65 0.153 -25.156 5.334 530 HZ1 LYS 65 3HZ LYS 65 1.001 -24.430 2.583 531 HZ2 LYS 65 1HZ LYS 65 2.004 -25.007 3.816 532 HZ3 LYS 65 2HZ LYS 65 1.262 -23.496 3.967 533 H PHE 66 H PHE 66 -0.517 -30.084 7.061 534 HA PHE 66 HA PHE 66 -1.327 -31.797 4.997 535 HB2 PHE 66 2HB PHE 66 0.837 -32.044 6.088 536 HB3 PHE 66 3HB PHE 66 0.056 -32.439 7.615 537 HD1 PHE 66 HD2 PHE 66 0.409 -33.637 4.107 538 HD2 PHE 66 HD1 PHE 66 -0.354 -34.668 8.170 539 HE1 PHE 66 HE2 PHE 66 0.478 -36.023 3.513 540 HE2 PHE 66 HE1 PHE 66 -0.286 -37.056 7.583 541 HZ PHE 66 HZ PHE 66 0.129 -37.738 5.252 542 H ILE 67 H ILE 67 -2.239 -31.820 8.450 543 HA ILE 67 HA ILE 67 -4.002 -34.000 8.391 544 HB ILE 67 HB ILE 67 -4.135 -31.504 10.108 545 HG12 ILE 67 2HG1 ILE 67 -2.925 -34.229 10.673 546 HG13 ILE 67 3HG1 ILE 67 -2.008 -32.776 10.292 547 HG21 ILE 67 1HG2 ILE 67 -6.277 -32.669 10.120 548 HG22 ILE 67 2HG2 ILE 67 -5.462 -32.867 11.671 549 HG23 ILE 67 3HG2 ILE 67 -5.468 -34.189 10.503 550 HD11 ILE 67 3HD1 ILE 67 -2.837 -31.732 12.348 551 HD12 ILE 67 1HD1 ILE 67 -1.973 -33.235 12.667 552 HD13 ILE 67 2HD1 ILE 67 -3.735 -33.204 12.722 553 H ARG 68 H ARG 68 -4.684 -30.528 7.947 554 HA ARG 68 HA ARG 68 -7.421 -30.634 7.490 555 HB2 ARG 68 2HB ARG 68 -6.015 -28.577 7.762 556 HB3 ARG 68 3HB ARG 68 -5.427 -28.800 6.127 557 HG2 ARG 68 2HG ARG 68 -8.343 -28.384 6.775 558 HG3 ARG 68 3HG ARG 68 -7.226 -27.060 6.456 559 HD2 ARG 68 2HD ARG 68 -6.715 -28.355 4.257 560 HD3 ARG 68 3HD ARG 68 -8.247 -29.169 4.582 561 HE ARG 68 HE ARG 68 -8.417 -26.306 4.699 562 HH11 ARG 68 1HH1 ARG 68 -8.662 -29.065 2.649 563 HH12 ARG 68 2HH1 ARG 68 -9.411 -28.174 1.372 564 HH21 ARG 68 1HH2 ARG 68 -9.399 -25.188 3.082 565 HH22 ARG 68 2HH2 ARG 68 -9.848 -25.996 1.619 566 H ASP 69 H ASP 69 -4.805 -30.844 5.077 567 HA ASP 69 HA ASP 69 -6.531 -31.137 2.841 568 HB2 ASP 69 2HB ASP 69 -4.094 -30.336 2.888 569 HB3 ASP 69 3HB ASP 69 -3.649 -32.037 2.947 570 H SER 70 H SER 70 -4.778 -33.475 4.850 571 HA SER 70 HA SER 70 -5.395 -35.805 3.372 572 HB2 SER 70 2HB SER 70 -3.652 -35.852 5.068 573 HB3 SER 70 3HB SER 70 -4.823 -35.486 6.336 574 HG SER 70 HG SER 70 -4.488 -37.865 4.848 575 H LEU 71 H LEU 71 -7.010 -34.411 6.243 576 HA LEU 71 HA LEU 71 -9.130 -36.252 6.353 577 HB2 LEU 71 2HB LEU 71 -8.675 -33.502 7.424 578 HB3 LEU 71 3HB LEU 71 -10.306 -34.144 7.474 579 HG LEU 71 HG LEU 71 -9.092 -34.493 9.599 580 HD11 LEU 71 1HD1 LEU 71 -9.598 -36.869 9.861 581 HD12 LEU 71 2HD1 LEU 71 -9.712 -37.043 8.110 582 HD13 LEU 71 3HD1 LEU 71 -10.869 -36.031 8.973 583 HD21 LEU 71 3HD2 LEU 71 -7.274 -36.281 7.977 584 HD22 LEU 71 1HD2 LEU 71 -7.257 -36.102 9.732 585 HD23 LEU 71 2HD2 LEU 71 -6.826 -34.738 8.702 586 H GLU 72 H GLU 72 -8.914 -33.099 4.697 587 HA GLU 72 HA GLU 72 -10.655 -34.074 2.638 588 HB2 GLU 72 2HB GLU 72 -12.383 -32.336 2.825 589 HB3 GLU 72 3HB GLU 72 -12.377 -33.414 4.209 590 HG2 GLU 72 2HG GLU 72 -11.613 -31.783 5.654 591 HG3 GLU 72 3HG GLU 72 -10.886 -30.828 4.363 592 H HIS 73 H HIS 73 -9.352 -33.530 0.982 593 HA HIS 73 HA HIS 73 -8.163 -30.894 0.804 594 HB2 HIS 73 2HB HIS 73 -7.378 -31.666 -1.448 595 HB3 HIS 73 3HB HIS 73 -6.874 -32.697 -0.117 596 HD1 HIS 73 HD1 HIS 73 -9.205 -32.627 -3.067 597 HD2 HIS 73 HD2 HIS 73 -7.762 -35.319 -0.250 598 HE1 HIS 73 HE1 HIS 73 -9.942 -34.892 -3.860 599 HE2 HIS 73 HE2 HIS 73 -8.946 -36.512 -2.211 600 H HIS 74 H HIS 74 -10.734 -30.385 1.140 601 HA HIS 74 HA HIS 74 -12.058 -30.009 -1.433 602 HB2 HIS 74 2HB HIS 74 -12.918 -29.269 1.377 603 HB3 HIS 74 3HB HIS 74 -13.894 -29.011 -0.065 604 HD1 HIS 74 HD1 HIS 74 -14.174 -31.038 2.577 605 HD2 HIS 74 HD2 HIS 74 -13.644 -31.956 -1.440 606 HE1 HIS 74 HE1 HIS 74 -15.044 -33.375 2.302 607 HE2 HIS 74 HE2 HIS 74 -14.941 -33.800 -0.174 608 H HIS 75 H HIS 75 -12.544 -28.027 -2.358 609 HA HIS 75 HA HIS 75 -11.190 -25.660 -1.239 610 HB2 HIS 75 2HB HIS 75 -10.663 -24.967 -3.599 611 HB3 HIS 75 3HB HIS 75 -9.780 -26.372 -3.025 612 HD1 HIS 75 HD1 HIS 75 -9.560 -26.436 -5.814 613 HD2 HIS 75 HD2 HIS 75 -13.142 -27.659 -4.105 614 HE1 HIS 75 HE1 HIS 75 -10.701 -27.820 -7.562 615 HE2 HIS 75 HE2 HIS 75 -12.804 -28.650 -6.465 616 H HIS 76 H HIS 76 -13.054 -24.772 -0.395 617 HA HIS 76 HA HIS 76 -15.419 -24.448 -2.027 618 HB2 HIS 76 2HB HIS 76 -14.777 -23.487 0.771 619 HB3 HIS 76 3HB HIS 76 -16.336 -23.277 -0.020 620 HD1 HIS 76 HD1 HIS 76 -14.542 -25.572 2.123 621 HD2 HIS 76 HD2 HIS 76 -17.552 -25.891 -0.726 622 HE1 HIS 76 HE1 HIS 76 -15.607 -27.809 2.515 623 HE2 HIS 76 HE2 HIS 76 -17.335 -28.036 0.703 624 H HIS 77 H HIS 77 -14.551 -23.225 -3.717 625 HA HIS 77 HA HIS 77 -15.137 -20.508 -3.673 626 HB2 HIS 77 2HB HIS 77 -13.003 -20.301 -2.372 627 HB3 HIS 77 3HB HIS 77 -12.138 -20.983 -3.745 628 HD1 HIS 77 HD1 HIS 77 -11.833 -19.472 -5.826 629 HD2 HIS 77 HD2 HIS 77 -13.783 -17.612 -2.662 630 HE1 HIS 77 HE1 HIS 77 -11.885 -17.036 -6.409 631 HE2 HIS 77 HE2 HIS 77 -12.974 -15.917 -4.443 632 H HIS 78 H HIS 78 -12.958 -22.904 -5.115 633 HA HIS 78 HA HIS 78 -14.063 -22.226 -7.772 634 HB2 HIS 78 2HB HIS 78 -11.603 -22.007 -7.616 635 HB3 HIS 78 3HB HIS 78 -11.484 -23.685 -7.103 636 HD1 HIS 78 HD1 HIS 78 -12.271 -25.492 -8.937 637 HD2 HIS 78 HD2 HIS 78 -11.573 -21.645 -10.348 638 HE1 HIS 78 HE1 HIS 78 -12.040 -25.721 -11.421 639 HE2 HIS 78 HE2 HIS 78 -11.439 -23.420 -12.230 Start of MODEL 9 1 H1 MET 1 1H MET 1 12.138 -6.263 -7.322 2 H2 MET 1 2H MET 1 11.891 -5.219 -6.017 3 H3 MET 1 3H MET 1 11.035 -6.673 -6.107 4 HA MET 1 HA MET 1 13.082 -7.928 -5.880 5 HB2 MET 1 2HB MET 1 14.346 -5.208 -5.454 6 HB3 MET 1 3HB MET 1 15.156 -6.751 -5.233 7 HG2 MET 1 2HG MET 1 14.938 -7.230 -7.603 8 HG3 MET 1 3HG MET 1 14.062 -5.719 -7.844 9 HE1 MET 1 3HE MET 1 15.707 -3.813 -5.810 10 HE2 MET 1 1HE MET 1 15.168 -3.306 -7.411 11 HE3 MET 1 2HE MET 1 16.850 -3.078 -6.934 12 H ALA 2 H ALA 2 11.530 -8.477 -4.199 13 HA ALA 2 HA ALA 2 12.528 -8.038 -1.593 14 HB1 ALA 2 3HB ALA 2 11.516 -5.811 -1.887 15 HB2 ALA 2 1HB ALA 2 10.749 -6.724 -0.589 16 HB3 ALA 2 2HB ALA 2 9.949 -6.573 -2.154 17 H GLN 3 H GLN 3 11.980 -9.767 -0.413 18 HA GLN 3 HA GLN 3 9.237 -10.757 -0.507 19 HB2 GLN 3 2HB GLN 3 9.873 -13.091 -0.683 20 HB3 GLN 3 3HB GLN 3 10.481 -12.214 -2.078 21 HG2 GLN 3 2HG GLN 3 12.718 -12.222 -1.164 22 HG3 GLN 3 3HG GLN 3 12.140 -12.957 0.329 23 HE21 GLN 3 1HE2 GLN 3 14.160 -13.962 -1.470 24 HE22 GLN 3 2HE2 GLN 3 13.608 -15.503 -2.019 25 H ILE 4 H ILE 4 8.497 -10.828 1.521 26 HA ILE 4 HA ILE 4 10.436 -11.127 3.735 27 HB ILE 4 HB ILE 4 7.731 -9.763 3.785 28 HG12 ILE 4 2HG1 ILE 4 9.371 -8.485 2.468 29 HG13 ILE 4 3HG1 ILE 4 8.999 -7.662 3.979 30 HG21 ILE 4 1HG2 ILE 4 9.884 -9.934 5.898 31 HG22 ILE 4 2HG2 ILE 4 8.310 -10.726 5.943 32 HG23 ILE 4 3HG2 ILE 4 8.414 -8.969 6.011 33 HD11 ILE 4 3HD1 ILE 4 11.370 -7.549 3.458 34 HD12 ILE 4 1HD1 ILE 4 11.463 -9.311 3.429 35 HD13 ILE 4 2HD1 ILE 4 11.093 -8.470 4.937 36 H ILE 5 H ILE 5 10.394 -13.268 4.266 37 HA ILE 5 HA ILE 5 7.811 -14.664 4.388 38 HB ILE 5 HB ILE 5 10.636 -15.753 4.403 39 HG12 ILE 5 2HG1 ILE 5 9.820 -16.854 2.258 40 HG13 ILE 5 3HG1 ILE 5 8.414 -15.801 2.344 41 HG21 ILE 5 1HG2 ILE 5 8.021 -17.255 4.580 42 HG22 ILE 5 2HG2 ILE 5 9.270 -17.157 5.822 43 HG23 ILE 5 3HG2 ILE 5 9.601 -17.993 4.305 44 HD11 ILE 5 3HD1 ILE 5 11.276 -14.886 2.134 45 HD12 ILE 5 1HD1 ILE 5 9.846 -13.852 2.149 46 HD13 ILE 5 2HD1 ILE 5 10.113 -14.967 0.811 47 H PHE 6 H PHE 6 6.881 -14.268 6.346 48 HA PHE 6 HA PHE 6 8.428 -15.039 8.746 49 HB2 PHE 6 2HB PHE 6 5.976 -13.293 8.459 50 HB3 PHE 6 3HB PHE 6 6.530 -13.904 10.014 51 HD1 PHE 6 HD2 PHE 6 9.412 -13.619 9.880 52 HD2 PHE 6 HD1 PHE 6 6.366 -11.011 8.438 53 HE1 PHE 6 HE2 PHE 6 10.944 -11.706 10.104 54 HE2 PHE 6 HE1 PHE 6 7.896 -9.100 8.656 55 HZ PHE 6 HZ PHE 6 10.186 -9.445 9.494 56 H ASN 7 H ASN 7 6.738 -16.559 6.601 57 HA ASN 7 HA ASN 7 4.678 -17.847 8.147 58 HB2 ASN 7 2HB ASN 7 4.608 -17.496 5.642 59 HB3 ASN 7 3HB ASN 7 5.847 -18.737 5.497 60 HD21 ASN 7 1HD2 ASN 7 5.306 -20.884 5.919 61 HD22 ASN 7 2HD2 ASN 7 3.665 -21.412 5.987 62 H GLU 8 H GLU 8 6.550 -18.246 9.823 63 HA GLU 8 HA GLU 8 7.454 -21.029 9.443 64 HB2 GLU 8 2HB GLU 8 8.982 -18.763 10.737 65 HB3 GLU 8 3HB GLU 8 9.417 -20.455 10.920 66 HG2 GLU 8 2HG GLU 8 9.675 -20.607 8.454 67 HG3 GLU 8 3HG GLU 8 9.380 -18.872 8.355 68 H GLU 9 H GLU 9 6.446 -22.316 10.808 69 HA GLU 9 HA GLU 9 6.154 -21.483 13.620 70 HB2 GLU 9 2HB GLU 9 3.930 -21.322 12.719 71 HB3 GLU 9 3HB GLU 9 4.082 -22.864 11.901 72 HG2 GLU 9 2HG GLU 9 2.663 -23.195 13.762 73 HG3 GLU 9 3HG GLU 9 4.197 -23.967 14.138 74 H TRP 10 H TRP 10 7.970 -22.616 14.219 75 HA TRP 10 HA TRP 10 8.183 -25.469 13.582 76 HB2 TRP 10 2HB TRP 10 10.111 -23.597 14.988 77 HB3 TRP 10 3HB TRP 10 10.438 -25.286 14.616 78 HD1 TRP 10 HD1 TRP 10 10.280 -21.839 13.006 79 HE1 TRP 10 HE1 TRP 10 11.273 -21.973 10.633 80 HE3 TRP 10 HE3 TRP 10 10.751 -26.919 12.614 81 HZ2 TRP 10 HZ2 TRP 10 12.142 -23.967 8.838 82 HZ3 TRP 10 HZ3 TRP 10 11.674 -27.859 10.532 83 HH2 TRP 10 HH2 TRP 10 12.353 -26.412 8.686 84 H MET 11 H MET 11 7.766 -27.052 15.028 85 HA MET 11 HA MET 11 7.541 -26.422 17.884 86 HB2 MET 11 2HB MET 11 5.301 -27.429 18.036 87 HB3 MET 11 3HB MET 11 5.304 -26.009 17.001 88 HG2 MET 11 2HG MET 11 5.412 -27.507 15.024 89 HG3 MET 11 3HG MET 11 5.259 -28.887 16.111 90 HE1 MET 11 3HE MET 11 3.511 -25.390 16.504 91 HE2 MET 11 1HE MET 11 2.014 -25.651 15.610 92 HE3 MET 11 2HE MET 11 3.557 -25.633 14.759 93 H VAL 12 H VAL 12 7.359 -28.334 19.252 94 HA VAL 12 HA VAL 12 8.989 -30.499 18.332 95 HB VAL 12 HB VAL 12 8.663 -31.470 20.555 96 HG11 VAL 12 1HG1 VAL 12 9.154 -28.487 20.639 97 HG12 VAL 12 2HG1 VAL 12 10.356 -29.734 20.301 98 HG13 VAL 12 3HG1 VAL 12 9.611 -29.637 21.896 99 HG21 VAL 12 3HG2 VAL 12 6.293 -30.918 20.867 100 HG22 VAL 12 1HG2 VAL 12 6.707 -29.212 21.032 101 HG23 VAL 12 2HG2 VAL 12 7.260 -30.375 22.238 102 H GLU 13 H GLU 13 8.238 -32.831 18.880 103 HA GLU 13 HA GLU 13 6.356 -33.527 16.925 104 HB2 GLU 13 2HB GLU 13 8.209 -34.974 17.646 105 HB3 GLU 13 3HB GLU 13 7.437 -35.191 19.210 106 HG2 GLU 13 2HG GLU 13 5.618 -36.400 18.212 107 HG3 GLU 13 3HG GLU 13 6.215 -36.048 16.589 108 H LYS 14 H LYS 14 6.047 -33.617 20.487 109 HA LYS 14 HA LYS 14 3.397 -34.611 20.513 110 HB2 LYS 14 2HB LYS 14 5.134 -34.539 22.422 111 HB3 LYS 14 3HB LYS 14 4.577 -32.897 22.694 112 HG2 LYS 14 2HG LYS 14 2.596 -35.140 22.631 113 HG3 LYS 14 3HG LYS 14 3.572 -34.864 24.072 114 HD2 LYS 14 2HD LYS 14 1.856 -32.761 22.755 115 HD3 LYS 14 3HD LYS 14 1.336 -33.747 24.123 116 HE2 LYS 14 2HE LYS 14 3.244 -32.857 25.431 117 HE3 LYS 14 3HE LYS 14 3.665 -31.822 24.068 118 HZ1 LYS 14 3HZ LYS 14 2.401 -30.598 25.681 119 HZ2 LYS 14 1HZ LYS 14 1.143 -31.727 25.625 120 HZ3 LYS 14 2HZ LYS 14 1.478 -30.769 24.275 121 H ALA 15 H ALA 15 4.677 -31.354 20.202 122 HA ALA 15 HA ALA 15 2.188 -30.012 20.673 123 HB1 ALA 15 3HB ALA 15 3.312 -28.032 19.777 124 HB2 ALA 15 1HB ALA 15 4.661 -29.034 19.238 125 HB3 ALA 15 2HB ALA 15 4.323 -28.860 20.962 126 H LEU 16 H LEU 16 3.936 -31.093 17.792 127 HA LEU 16 HA LEU 16 2.316 -29.962 15.821 128 HB2 LEU 16 2HB LEU 16 4.564 -31.071 15.539 129 HB3 LEU 16 3HB LEU 16 3.759 -32.620 15.649 130 HG LEU 16 HG LEU 16 4.354 -31.828 13.319 131 HD11 LEU 16 1HD1 LEU 16 2.309 -32.631 12.289 132 HD12 LEU 16 2HD1 LEU 16 1.429 -32.404 13.800 133 HD13 LEU 16 3HD1 LEU 16 2.711 -33.611 13.698 134 HD21 LEU 16 3HD2 LEU 16 2.078 -29.898 13.801 135 HD22 LEU 16 1HD2 LEU 16 2.865 -30.202 12.252 136 HD23 LEU 16 2HD2 LEU 16 3.776 -29.475 13.575 137 H MET 17 H MET 17 2.028 -33.149 17.412 138 HA MET 17 HA MET 17 -0.175 -34.061 15.912 139 HB2 MET 17 2HB MET 17 -0.484 -35.741 17.637 140 HB3 MET 17 3HB MET 17 1.228 -35.542 17.296 141 HG2 MET 17 2HG MET 17 1.462 -34.166 19.307 142 HG3 MET 17 3HG MET 17 -0.251 -34.390 19.654 143 HE1 MET 17 3HE MET 17 2.887 -37.776 19.728 144 HE2 MET 17 1HE MET 17 3.251 -36.093 19.351 145 HE3 MET 17 2HE MET 17 2.304 -37.064 18.223 146 H VAL 18 H VAL 18 -0.036 -32.058 18.826 147 HA VAL 18 HA VAL 18 -2.853 -32.112 19.341 148 HB VAL 18 HB VAL 18 -0.758 -30.118 20.256 149 HG11 VAL 18 1HG1 VAL 18 -2.364 -29.522 22.020 150 HG12 VAL 18 2HG1 VAL 18 -3.559 -30.596 21.295 151 HG13 VAL 18 3HG1 VAL 18 -3.005 -29.171 20.413 152 HG21 VAL 18 3HG2 VAL 18 -1.899 -32.555 21.641 153 HG22 VAL 18 1HG2 VAL 18 -0.775 -31.397 22.358 154 HG23 VAL 18 2HG2 VAL 18 -0.266 -32.394 20.995 155 H ARG 19 H ARG 19 -0.697 -29.882 17.628 156 HA ARG 19 HA ARG 19 -2.602 -27.876 17.028 157 HB2 ARG 19 2HB ARG 19 -0.037 -28.676 15.637 158 HB3 ARG 19 3HB ARG 19 -0.968 -27.249 15.209 159 HG2 ARG 19 2HG ARG 19 0.061 -27.679 18.001 160 HG3 ARG 19 3HG ARG 19 1.056 -26.953 16.742 161 HD2 ARG 19 2HD ARG 19 -0.775 -25.254 16.411 162 HD3 ARG 19 3HD ARG 19 -1.551 -25.915 17.852 163 HE ARG 19 HE ARG 19 0.368 -25.190 19.133 164 HH11 ARG 19 1HH1 ARG 19 0.047 -23.845 15.972 165 HH12 ARG 19 2HH1 ARG 19 1.165 -22.558 16.283 166 HH21 ARG 19 1HH2 ARG 19 1.759 -23.500 19.538 167 HH22 ARG 19 2HH2 ARG 19 2.105 -22.360 18.283 168 H THR 20 H THR 20 -1.628 -30.804 15.272 169 HA THR 20 HA THR 20 -3.324 -30.087 12.991 170 HB THR 20 HB THR 20 -2.331 -32.063 11.885 171 HG1 THR 20 HG1 THR 20 -0.434 -32.390 13.906 172 HG21 THR 20 3HG2 THR 20 -0.026 -31.215 11.732 173 HG22 THR 20 1HG2 THR 20 -0.298 -30.220 13.163 174 HG23 THR 20 2HG2 THR 20 -1.200 -29.900 11.681 175 H GLY 21 H GLY 21 -3.285 -32.374 15.647 176 HA2 GLY 21 2HA GLY 21 -5.294 -33.463 16.381 177 HA3 GLY 21 3HA GLY 21 -5.874 -33.453 14.724 178 H LEU 22 H LEU 22 -2.770 -34.316 14.390 179 HA LEU 22 HA LEU 22 -3.350 -37.103 14.014 180 HB2 LEU 22 2HB LEU 22 -0.892 -35.401 13.684 181 HB3 LEU 22 3HB LEU 22 -0.780 -37.146 13.585 182 HG LEU 22 HG LEU 22 -2.344 -37.157 11.690 183 HD11 LEU 22 1HD1 LEU 22 -2.266 -34.149 11.916 184 HD12 LEU 22 2HD1 LEU 22 -3.661 -35.185 12.210 185 HD13 LEU 22 3HD1 LEU 22 -2.981 -35.065 10.589 186 HD21 LEU 22 3HD2 LEU 22 0.059 -37.039 11.262 187 HD22 LEU 22 1HD2 LEU 22 -0.010 -35.276 11.294 188 HD23 LEU 22 2HD2 LEU 22 -0.851 -36.172 10.027 189 H GLY 23 H GLY 23 -1.467 -38.657 14.777 190 HA2 GLY 23 2HA GLY 23 -0.808 -38.149 17.616 191 HA3 GLY 23 3HA GLY 23 -1.458 -39.696 17.090 192 H ALA 24 H ALA 24 0.886 -39.760 18.408 193 HA ALA 24 HA ALA 24 3.269 -39.244 17.072 194 HB1 ALA 24 3HB ALA 24 2.737 -41.467 19.047 195 HB2 ALA 24 1HB ALA 24 3.116 -39.796 19.455 196 HB3 ALA 24 2HB ALA 24 4.315 -40.794 18.635 197 H ARG 25 H ARG 25 1.355 -42.251 17.025 198 HA ARG 25 HA ARG 25 3.301 -43.669 15.478 199 HB2 ARG 25 2HB ARG 25 0.464 -44.343 16.260 200 HB3 ARG 25 3HB ARG 25 1.511 -45.436 15.356 201 HG2 ARG 25 2HG ARG 25 3.124 -45.425 17.192 202 HG3 ARG 25 3HG ARG 25 2.092 -44.318 18.099 203 HD2 ARG 25 2HD ARG 25 0.365 -45.987 18.275 204 HD3 ARG 25 3HD ARG 25 1.251 -47.077 17.203 205 HE ARG 25 HE ARG 25 3.031 -46.811 19.123 206 HH11 ARG 25 1HH1 ARG 25 -0.373 -47.212 19.418 207 HH12 ARG 25 2HH1 ARG 25 -0.260 -48.028 20.940 208 HH21 ARG 25 1HH2 ARG 25 3.168 -47.865 21.078 209 HH22 ARG 25 2HH2 ARG 25 1.722 -48.390 21.870 210 H GLN 26 H GLN 26 0.659 -41.600 14.620 211 HA GLN 26 HA GLN 26 0.628 -42.528 11.869 212 HB2 GLN 26 2HB GLN 26 -1.411 -41.569 12.930 213 HB3 GLN 26 3HB GLN 26 -0.601 -40.009 13.018 214 HG2 GLN 26 2HG GLN 26 -0.467 -39.883 10.617 215 HG3 GLN 26 3HG GLN 26 -1.119 -41.510 10.458 216 HE21 GLN 26 1HE2 GLN 26 -2.357 -39.202 12.772 217 HE22 GLN 26 2HE2 GLN 26 -3.862 -38.938 11.982 218 H ILE 27 H ILE 27 2.028 -39.849 13.712 219 HA ILE 27 HA ILE 27 3.099 -38.421 11.523 220 HB ILE 27 HB ILE 27 4.152 -38.563 14.362 221 HG12 ILE 27 2HG1 ILE 27 2.294 -36.553 13.041 222 HG13 ILE 27 3HG1 ILE 27 1.809 -37.779 14.209 223 HG21 ILE 27 1HG2 ILE 27 4.728 -36.571 12.157 224 HG22 ILE 27 2HG2 ILE 27 5.863 -37.725 12.862 225 HG23 ILE 27 3HG2 ILE 27 5.234 -36.399 13.841 226 HD11 ILE 27 3HD1 ILE 27 2.005 -35.598 15.252 227 HD12 ILE 27 1HD1 ILE 27 3.689 -35.486 14.740 228 HD13 ILE 27 2HD1 ILE 27 3.202 -36.717 15.906 229 H GLU 28 H GLU 28 4.652 -40.855 13.661 230 HA GLU 28 HA GLU 28 7.117 -40.941 12.323 231 HB2 GLU 28 2HB GLU 28 7.543 -43.020 13.453 232 HB3 GLU 28 3HB GLU 28 6.678 -41.961 14.558 233 HG2 GLU 28 2HG GLU 28 4.627 -43.175 14.194 234 HG3 GLU 28 3HG GLU 28 5.390 -44.161 12.948 235 H SER 29 H SER 29 4.073 -42.523 11.615 236 HA SER 29 HA SER 29 4.929 -44.314 9.623 237 HB2 SER 29 2HB SER 29 2.650 -44.368 10.563 238 HB3 SER 29 3HB SER 29 2.293 -42.820 9.798 239 HG SER 29 HG SER 29 1.757 -43.923 8.101 240 H TYR 30 H TYR 30 3.729 -40.957 9.312 241 HA TYR 30 HA TYR 30 4.238 -40.745 6.531 242 HB2 TYR 30 2HB TYR 30 3.860 -38.683 8.697 243 HB3 TYR 30 3HB TYR 30 4.154 -38.232 7.021 244 HD1 TYR 30 HD2 TYR 30 2.575 -39.867 5.385 245 HD2 TYR 30 HD1 TYR 30 1.623 -38.441 9.287 246 HE1 TYR 30 HE2 TYR 30 0.185 -40.091 4.878 247 HE2 TYR 30 HE1 TYR 30 -0.777 -38.661 8.782 248 HH TYR 30 HH TYR 30 -2.235 -38.691 6.713 249 H ARG 31 H ARG 31 6.325 -40.449 9.293 250 HA ARG 31 HA ARG 31 8.404 -38.947 8.135 251 HB2 ARG 31 2HB ARG 31 8.326 -40.898 10.416 252 HB3 ARG 31 3HB ARG 31 9.841 -40.171 9.903 253 HG2 ARG 31 2HG ARG 31 8.948 -37.948 10.344 254 HG3 ARG 31 3HG ARG 31 7.396 -38.650 10.804 255 HD2 ARG 31 2HD ARG 31 8.868 -38.010 12.732 256 HD3 ARG 31 3HD ARG 31 8.354 -39.695 12.731 257 HE ARG 31 HE ARG 31 10.630 -40.137 11.712 258 HH11 ARG 31 1HH1 ARG 31 10.067 -37.495 13.865 259 HH12 ARG 31 2HH1 ARG 31 11.691 -37.514 14.463 260 HH21 ARG 31 1HH2 ARG 31 12.703 -40.125 12.499 261 HH22 ARG 31 2HH2 ARG 31 13.154 -38.958 13.693 262 H GLN 32 H GLN 32 7.370 -42.049 7.293 263 HA GLN 32 HA GLN 32 9.869 -43.206 6.537 264 HB2 GLN 32 2HB GLN 32 8.578 -44.869 5.381 265 HB3 GLN 32 3HB GLN 32 7.749 -44.495 6.886 266 HG2 GLN 32 2HG GLN 32 6.210 -43.021 5.631 267 HG3 GLN 32 3HG GLN 32 7.013 -43.495 4.136 268 HE21 GLN 32 1HE2 GLN 32 4.231 -43.857 4.990 269 HE22 GLN 32 2HE2 GLN 32 3.929 -45.555 4.902 270 H GLY 33 H GLY 33 7.870 -40.782 5.064 271 HA2 GLY 33 2HA GLY 33 9.720 -40.419 2.893 272 HA3 GLY 33 3HA GLY 33 8.215 -41.143 2.355 273 H ALA 34 H ALA 34 6.383 -39.750 3.965 274 HA ALA 34 HA ALA 34 5.993 -37.417 2.454 275 HB1 ALA 34 3HB ALA 34 4.147 -36.934 3.974 276 HB2 ALA 34 1HB ALA 34 4.757 -38.138 5.112 277 HB3 ALA 34 2HB ALA 34 4.168 -38.639 3.528 278 H TRP 35 H TRP 35 7.062 -37.724 5.860 279 HA TRP 35 HA TRP 35 7.666 -34.920 6.112 280 HB2 TRP 35 2HB TRP 35 8.229 -37.341 7.798 281 HB3 TRP 35 3HB TRP 35 9.009 -35.820 8.167 282 HD1 TRP 35 HD1 TRP 35 7.840 -35.662 10.493 283 HE1 TRP 35 HE1 TRP 35 5.462 -35.057 11.241 284 HE3 TRP 35 HE3 TRP 35 5.432 -36.076 6.010 285 HZ2 TRP 35 HZ2 TRP 35 2.913 -34.779 10.105 286 HZ3 TRP 35 HZ3 TRP 35 3.022 -35.608 5.923 287 HH2 TRP 35 HH2 TRP 35 1.781 -34.977 7.933 288 H ILE 36 H ILE 36 9.183 -34.171 4.721 289 HA ILE 36 HA ILE 36 11.646 -35.626 4.226 290 HB ILE 36 HB ILE 36 10.845 -32.856 3.292 291 HG12 ILE 36 2HG1 ILE 36 10.614 -35.510 1.839 292 HG13 ILE 36 3HG1 ILE 36 9.262 -34.622 2.539 293 HG21 ILE 36 1HG2 ILE 36 12.566 -33.215 1.557 294 HG22 ILE 36 2HG2 ILE 36 13.010 -34.738 2.328 295 HG23 ILE 36 3HG2 ILE 36 13.248 -33.215 3.184 296 HD11 ILE 36 3HD1 ILE 36 11.041 -33.654 0.310 297 HD12 ILE 36 1HD1 ILE 36 9.666 -32.787 0.994 298 HD13 ILE 36 2HD1 ILE 36 9.410 -34.304 0.133 299 H GLU 37 H GLU 37 13.510 -35.341 5.348 300 HA GLU 37 HA GLU 37 13.668 -33.761 7.657 301 HB2 GLU 37 2HB GLU 37 16.013 -34.332 7.755 302 HB3 GLU 37 3HB GLU 37 15.115 -35.735 7.194 303 HG2 GLU 37 2HG GLU 37 15.795 -35.275 4.899 304 HG3 GLU 37 3HG GLU 37 16.663 -33.838 5.435 305 H GLY 38 H GLY 38 14.862 -31.849 8.134 306 HA2 GLY 38 2HA GLY 38 15.710 -29.737 7.717 307 HA3 GLY 38 3HA GLY 38 15.899 -30.178 6.028 308 H VAL 39 H VAL 39 13.360 -30.737 5.225 309 HA VAL 39 HA VAL 39 12.226 -28.088 5.053 310 HB VAL 39 HB VAL 39 11.182 -30.658 3.848 311 HG11 VAL 39 1HG1 VAL 39 9.529 -28.878 3.853 312 HG12 VAL 39 2HG1 VAL 39 10.098 -29.178 2.211 313 HG13 VAL 39 3HG1 VAL 39 10.682 -27.773 3.104 314 HG21 VAL 39 3HG2 VAL 39 12.385 -30.021 1.807 315 HG22 VAL 39 1HG2 VAL 39 13.490 -30.291 3.155 316 HG23 VAL 39 2HG2 VAL 39 13.095 -28.646 2.655 317 H HIS 40 H HIS 40 10.766 -31.267 5.900 318 HA HIS 40 HA HIS 40 8.533 -29.887 7.184 319 HB2 HIS 40 2HB HIS 40 9.012 -32.795 6.507 320 HB3 HIS 40 3HB HIS 40 7.639 -32.260 7.469 321 HD1 HIS 40 HD1 HIS 40 9.023 -30.683 4.292 322 HD2 HIS 40 HD2 HIS 40 5.564 -32.472 5.734 323 HE1 HIS 40 HE1 HIS 40 7.337 -30.459 2.451 324 HE2 HIS 40 HE2 HIS 40 5.346 -31.760 3.254 325 H PHE 41 H PHE 41 11.409 -31.609 8.105 326 HA PHE 41 HA PHE 41 11.106 -30.613 10.786 327 HB2 PHE 41 2HB PHE 41 11.275 -32.695 11.996 328 HB3 PHE 41 3HB PHE 41 9.874 -32.783 10.942 329 HD1 PHE 41 HD1 PHE 41 10.364 -33.901 8.571 330 HD2 PHE 41 HD2 PHE 41 12.690 -34.509 12.089 331 HE1 PHE 41 HE1 PHE 41 11.199 -36.025 7.656 332 HE2 PHE 41 HE2 PHE 41 13.527 -36.630 11.171 333 HZ PHE 41 HZ PHE 41 12.781 -37.390 8.950 334 H LYS 42 H LYS 42 13.073 -29.984 11.517 335 HA LYS 42 HA LYS 42 15.449 -31.215 10.252 336 HB2 LYS 42 2HB LYS 42 16.573 -29.060 10.273 337 HB3 LYS 42 3HB LYS 42 15.066 -28.950 9.373 338 HG2 LYS 42 2HG LYS 42 13.990 -27.831 11.229 339 HG3 LYS 42 3HG LYS 42 15.434 -28.040 12.226 340 HD2 LYS 42 2HD LYS 42 16.711 -26.659 10.618 341 HD3 LYS 42 3HD LYS 42 15.232 -26.409 9.686 342 HE2 LYS 42 2HE LYS 42 14.207 -25.273 11.578 343 HE3 LYS 42 3HE LYS 42 15.635 -25.585 12.567 344 HZ1 LYS 42 3HZ LYS 42 15.503 -23.874 10.141 345 HZ2 LYS 42 1HZ LYS 42 16.926 -24.247 10.972 346 HZ3 LYS 42 2HZ LYS 42 15.715 -23.352 11.733 347 H ARG 43 H ARG 43 17.272 -31.544 11.509 348 HA ARG 43 HA ARG 43 16.801 -31.957 14.302 349 HB2 ARG 43 2HB ARG 43 19.374 -32.167 12.714 350 HB3 ARG 43 3HB ARG 43 19.142 -32.752 14.357 351 HG2 ARG 43 2HG ARG 43 17.537 -34.392 13.597 352 HG3 ARG 43 3HG ARG 43 17.615 -33.752 11.953 353 HD2 ARG 43 2HD ARG 43 19.881 -35.055 13.477 354 HD3 ARG 43 3HD ARG 43 18.967 -35.774 12.150 355 HE ARG 43 HE ARG 43 19.883 -33.854 10.782 356 HH11 ARG 43 1HH1 ARG 43 21.615 -35.248 13.419 357 HH12 ARG 43 2HH1 ARG 43 23.142 -34.659 12.862 358 HH21 ARG 43 1HH2 ARG 43 21.849 -33.126 10.079 359 HH22 ARG 43 2HH2 ARG 43 23.275 -33.481 11.002 360 H VAL 44 H VAL 44 16.617 -30.180 15.550 361 HA VAL 44 HA VAL 44 18.501 -27.959 15.227 362 HB VAL 44 HB VAL 44 16.036 -28.157 16.980 363 HG11 VAL 44 1HG1 VAL 44 17.658 -26.564 17.871 364 HG12 VAL 44 2HG1 VAL 44 16.252 -25.721 17.220 365 HG13 VAL 44 3HG1 VAL 44 17.757 -25.766 16.300 366 HG21 VAL 44 3HG2 VAL 44 14.975 -26.692 15.318 367 HG22 VAL 44 1HG2 VAL 44 15.467 -28.229 14.606 368 HG23 VAL 44 2HG2 VAL 44 16.425 -26.777 14.318 369 H SER 45 H SER 45 20.394 -28.527 16.203 370 HA SER 45 HA SER 45 20.407 -29.710 18.856 371 HB2 SER 45 2HB SER 45 22.902 -29.610 18.597 372 HB3 SER 45 3HB SER 45 22.089 -30.515 17.322 373 HG SER 45 HG SER 45 23.481 -28.117 17.203 374 HA PRO 46 HA PRO 46 20.466 -25.752 20.919 375 HB2 PRO 46 2HB PRO 46 21.260 -26.610 23.382 376 HB3 PRO 46 3HB PRO 46 19.624 -26.855 22.757 377 HG2 PRO 46 2HG PRO 46 21.942 -28.767 22.787 378 HG3 PRO 46 3HG PRO 46 20.249 -29.061 23.231 379 HD2 PRO 46 2HD PRO 46 21.222 -29.789 20.832 380 HD3 PRO 46 3HD PRO 46 19.557 -29.197 21.019 381 H SER 47 H SER 47 23.202 -27.663 20.277 382 HA SER 47 HA SER 47 24.998 -25.437 21.027 383 HB2 SER 47 2HB SER 47 25.445 -27.264 22.557 384 HB3 SER 47 3HB SER 47 25.544 -28.412 21.224 385 HG SER 47 HG SER 47 27.573 -27.389 22.209 386 H GLY 48 H GLY 48 26.889 -25.186 19.695 387 HA2 GLY 48 2HA GLY 48 26.545 -26.099 16.928 388 HA3 GLY 48 3HA GLY 48 27.664 -24.867 17.489 389 H GLU 49 H GLU 49 27.914 -27.369 19.593 390 HA GLU 49 HA GLU 49 30.427 -28.258 18.479 391 HB2 GLU 49 2HB GLU 49 28.970 -28.887 21.050 392 HB3 GLU 49 3HB GLU 49 30.502 -29.633 20.613 393 HG2 GLU 49 2HG GLU 49 30.032 -26.674 20.957 394 HG3 GLU 49 3HG GLU 49 30.793 -27.741 22.138 395 H LYS 50 H LYS 50 31.000 -30.412 18.046 396 HA LYS 50 HA LYS 50 29.159 -31.970 16.606 397 HB2 LYS 50 2HB LYS 50 31.829 -32.731 17.822 398 HB3 LYS 50 3HB LYS 50 30.952 -33.715 16.656 399 HG2 LYS 50 2HG LYS 50 31.277 -32.151 14.926 400 HG3 LYS 50 3HG LYS 50 31.763 -30.883 16.050 401 HD2 LYS 50 2HD LYS 50 33.678 -31.808 14.810 402 HD3 LYS 50 3HD LYS 50 33.826 -32.070 16.548 403 HE2 LYS 50 2HE LYS 50 34.502 -34.061 15.352 404 HE3 LYS 50 3HE LYS 50 33.017 -34.380 16.243 405 HZ1 LYS 50 3HZ LYS 50 33.005 -35.293 13.981 406 HZ2 LYS 50 1HZ LYS 50 33.140 -33.732 13.348 407 HZ3 LYS 50 2HZ LYS 50 31.761 -34.174 14.223 408 H THR 51 H THR 51 27.343 -32.306 17.956 409 HA THR 51 HA THR 51 27.684 -34.414 19.994 410 HB THR 51 HB THR 51 25.846 -33.352 21.316 411 HG1 THR 51 HG1 THR 51 26.300 -31.118 19.592 412 HG21 THR 51 3HG2 THR 51 28.189 -32.996 21.965 413 HG22 THR 51 1HG2 THR 51 27.201 -31.578 22.317 414 HG23 THR 51 2HG2 THR 51 28.266 -31.583 20.911 415 H LEU 52 H LEU 52 25.835 -35.773 20.323 416 HA LEU 52 HA LEU 52 24.287 -36.183 17.879 417 HB2 LEU 52 2HB LEU 52 24.463 -37.847 20.404 418 HB3 LEU 52 3HB LEU 52 23.598 -38.307 18.951 419 HG LEU 52 HG LEU 52 25.618 -39.526 18.916 420 HD11 LEU 52 1HD1 LEU 52 25.999 -37.138 17.114 421 HD12 LEU 52 2HD1 LEU 52 25.027 -38.567 16.762 422 HD13 LEU 52 3HD1 LEU 52 26.777 -38.712 16.932 423 HD21 LEU 52 3HD2 LEU 52 26.843 -38.257 20.613 424 HD22 LEU 52 1HD2 LEU 52 27.124 -36.961 19.449 425 HD23 LEU 52 2HD2 LEU 52 27.836 -38.553 19.187 426 H ARG 53 H ARG 53 23.766 -34.047 20.062 427 HA ARG 53 HA ARG 53 21.157 -34.795 21.108 428 HB2 ARG 53 2HB ARG 53 22.677 -32.192 21.389 429 HB3 ARG 53 3HB ARG 53 21.275 -32.689 22.330 430 HG2 ARG 53 2HG ARG 53 22.579 -34.552 23.267 431 HG3 ARG 53 3HG ARG 53 23.982 -34.016 22.340 432 HD2 ARG 53 2HD ARG 53 23.895 -31.849 23.535 433 HD3 ARG 53 3HD ARG 53 22.555 -32.471 24.499 434 HE ARG 53 HE ARG 53 24.895 -34.131 24.590 435 HH11 ARG 53 1HH1 ARG 53 23.318 -31.415 26.002 436 HH12 ARG 53 2HH1 ARG 53 24.213 -31.535 27.475 437 HH21 ARG 53 1HH2 ARG 53 26.051 -34.250 26.457 438 HH22 ARG 53 2HH2 ARG 53 25.756 -33.114 27.724 439 H GLY 54 H GLY 54 21.527 -34.387 18.185 440 HA2 GLY 54 2HA GLY 54 20.262 -31.975 17.385 441 HA3 GLY 54 3HA GLY 54 20.417 -33.428 16.412 442 H THR 55 H THR 55 18.463 -31.915 18.960 443 HA THR 55 HA THR 55 16.253 -33.724 18.710 444 HB THR 55 HB THR 55 16.253 -30.901 19.832 445 HG1 THR 55 HG1 THR 55 17.184 -31.727 21.548 446 HG21 THR 55 3HG2 THR 55 13.999 -31.729 19.365 447 HG22 THR 55 1HG2 THR 55 14.283 -31.666 21.105 448 HG23 THR 55 2HG2 THR 55 14.343 -33.212 20.256 449 H THR 56 H THR 56 14.858 -33.804 16.998 450 HA THR 56 HA THR 56 15.005 -31.698 15.018 451 HB THR 56 HB THR 56 14.899 -34.133 14.383 452 HG1 THR 56 HG1 THR 56 12.758 -33.127 13.017 453 HG21 THR 56 3HG2 THR 56 11.959 -33.810 15.019 454 HG22 THR 56 1HG2 THR 56 13.089 -34.824 15.919 455 HG23 THR 56 2HG2 THR 56 12.709 -35.201 14.238 456 H TRP 57 H TRP 57 13.511 -30.235 14.463 457 HA TRP 57 HA TRP 57 11.018 -30.113 16.038 458 HB2 TRP 57 2HB TRP 57 12.760 -27.916 14.913 459 HB3 TRP 57 3HB TRP 57 11.094 -27.619 15.399 460 HD1 TRP 57 HD1 TRP 57 14.165 -29.313 17.107 461 HE1 TRP 57 HE1 TRP 57 14.279 -28.462 19.531 462 HE3 TRP 57 HE3 TRP 57 10.089 -26.218 17.077 463 HZ2 TRP 57 HZ2 TRP 57 12.840 -26.703 21.209 464 HZ3 TRP 57 HZ3 TRP 57 9.532 -24.981 19.132 465 HH2 TRP 57 HH2 TRP 57 10.877 -25.218 21.155 466 H TYR 58 H TYR 58 9.098 -29.901 14.991 467 HA TYR 58 HA TYR 58 9.118 -30.557 12.153 468 HB2 TYR 58 2HB TYR 58 6.927 -30.574 14.239 469 HB3 TYR 58 3HB TYR 58 6.664 -30.988 12.546 470 HD1 TYR 58 HD1 TYR 58 8.682 -31.962 15.531 471 HD2 TYR 58 HD2 TYR 58 7.024 -33.181 11.804 472 HE1 TYR 58 HE1 TYR 58 9.373 -34.274 15.984 473 HE2 TYR 58 HE2 TYR 58 7.707 -35.498 12.256 474 HH TYR 58 HH TYR 58 8.664 -36.580 15.271 475 H ASN 59 H ASN 59 8.245 -29.373 10.550 476 HA ASN 59 HA ASN 59 7.703 -26.555 11.068 477 HB2 ASN 59 2HB ASN 59 9.296 -27.436 9.263 478 HB3 ASN 59 3HB ASN 59 7.859 -27.934 8.380 479 HD21 ASN 59 1HD2 ASN 59 9.837 -26.068 7.545 480 HD22 ASN 59 2HD2 ASN 59 9.047 -24.549 7.330 481 H TYR 60 H TYR 60 5.610 -26.250 11.717 482 HA TYR 60 HA TYR 60 3.446 -27.892 11.133 483 HB2 TYR 60 2HB TYR 60 3.325 -26.374 12.994 484 HB3 TYR 60 3HB TYR 60 3.469 -24.977 11.933 485 HD1 TYR 60 HD1 TYR 60 1.216 -27.839 12.754 486 HD2 TYR 60 HD2 TYR 60 1.545 -23.944 11.059 487 HE1 TYR 60 HE1 TYR 60 -1.234 -27.708 12.579 488 HE2 TYR 60 HE2 TYR 60 -0.902 -23.808 10.885 489 HH TYR 60 HH TYR 60 -2.819 -25.276 10.770 490 HA PRO 61 HA PRO 61 2.143 -24.619 7.570 491 HB2 PRO 61 2HB PRO 61 5.003 -24.116 6.803 492 HB3 PRO 61 3HB PRO 61 3.587 -23.072 6.609 493 HG2 PRO 61 2HG PRO 61 5.311 -22.615 8.569 494 HG3 PRO 61 3HG PRO 61 3.567 -22.466 8.861 495 HD2 PRO 61 2HD PRO 61 5.450 -24.633 9.688 496 HD3 PRO 61 3HD PRO 61 4.031 -23.988 10.532 497 H GLU 62 H GLU 62 5.239 -26.380 7.184 498 HA GLU 62 HA GLU 62 4.726 -27.369 4.598 499 HB2 GLU 62 2HB GLU 62 6.542 -28.438 6.770 500 HB3 GLU 62 3HB GLU 62 6.559 -28.993 5.101 501 HG2 GLU 62 2HG GLU 62 7.191 -26.208 6.064 502 HG3 GLU 62 3HG GLU 62 8.347 -27.416 5.505 503 H ILE 63 H ILE 63 4.140 -28.810 7.784 504 HA ILE 63 HA ILE 63 3.225 -31.332 6.783 505 HB ILE 63 HB ILE 63 2.954 -30.011 9.485 506 HG12 ILE 63 2HG1 ILE 63 4.707 -32.284 8.506 507 HG13 ILE 63 3HG1 ILE 63 5.238 -30.628 8.776 508 HG21 ILE 63 1HG2 ILE 63 1.085 -31.530 9.253 509 HG22 ILE 63 2HG2 ILE 63 2.274 -32.228 10.351 510 HG23 ILE 63 3HG2 ILE 63 2.156 -32.813 8.693 511 HD11 ILE 63 3HD1 ILE 63 4.772 -30.860 11.153 512 HD12 ILE 63 1HD1 ILE 63 5.903 -32.091 10.591 513 HD13 ILE 63 2HD1 ILE 63 4.218 -32.514 10.887 514 H ASN 64 H ASN 64 1.520 -28.508 8.128 515 HA ASN 64 HA ASN 64 -1.104 -29.391 7.800 516 HB2 ASN 64 2HB ASN 64 -0.462 -27.368 9.074 517 HB3 ASN 64 3HB ASN 64 -0.054 -26.554 7.567 518 HD21 ASN 64 1HD2 ASN 64 -2.625 -27.754 9.565 519 HD22 ASN 64 2HD2 ASN 64 -3.901 -26.919 8.761 520 H LYS 65 H LYS 65 1.065 -27.785 5.510 521 HA LYS 65 HA LYS 65 -0.692 -27.402 3.367 522 HB2 LYS 65 2HB LYS 65 1.834 -26.735 3.718 523 HB3 LYS 65 3HB LYS 65 2.164 -28.262 2.918 524 HG2 LYS 65 2HG LYS 65 0.484 -26.053 1.734 525 HG3 LYS 65 3HG LYS 65 2.205 -26.265 1.424 526 HD2 LYS 65 2HD LYS 65 0.039 -28.277 0.774 527 HD3 LYS 65 3HD LYS 65 0.812 -27.193 -0.382 528 HE2 LYS 65 2HE LYS 65 2.977 -28.258 0.064 529 HE3 LYS 65 3HE LYS 65 2.207 -29.341 1.225 530 HZ1 LYS 65 3HZ LYS 65 2.465 -30.447 -0.873 531 HZ2 LYS 65 1HZ LYS 65 1.653 -29.208 -1.688 532 HZ3 LYS 65 2HZ LYS 65 0.821 -30.183 -0.593 533 H PHE 66 H PHE 66 1.426 -30.192 4.069 534 HA PHE 66 HA PHE 66 0.697 -31.868 1.965 535 HB2 PHE 66 2HB PHE 66 2.598 -32.391 3.368 536 HB3 PHE 66 3HB PHE 66 1.573 -32.537 4.790 537 HD1 PHE 66 HD2 PHE 66 2.420 -34.107 1.544 538 HD2 PHE 66 HD1 PHE 66 0.508 -34.588 5.323 539 HE1 PHE 66 HE2 PHE 66 2.180 -36.514 1.118 540 HE2 PHE 66 HE1 PHE 66 0.271 -37.000 4.896 541 HZ PHE 66 HZ PHE 66 1.109 -37.967 2.792 542 H ILE 67 H ILE 67 -0.722 -31.673 5.224 543 HA ILE 67 HA ILE 67 -2.663 -33.692 4.881 544 HB ILE 67 HB ILE 67 -2.765 -31.276 6.710 545 HG12 ILE 67 2HG1 ILE 67 -1.767 -34.093 7.245 546 HG13 ILE 67 3HG1 ILE 67 -0.740 -32.684 7.006 547 HG21 ILE 67 1HG2 ILE 67 -4.296 -33.884 6.826 548 HG22 ILE 67 2HG2 ILE 67 -4.965 -32.290 6.476 549 HG23 ILE 67 3HG2 ILE 67 -4.309 -32.637 8.075 550 HD11 ILE 67 3HD1 ILE 67 -0.940 -33.223 9.353 551 HD12 ILE 67 1HD1 ILE 67 -2.695 -33.089 9.256 552 HD13 ILE 67 2HD1 ILE 67 -1.687 -31.662 9.015 553 H ARG 68 H ARG 68 -2.766 -30.209 4.277 554 HA ARG 68 HA ARG 68 -5.514 -29.912 3.842 555 HB2 ARG 68 2HB ARG 68 -3.997 -28.032 4.170 556 HB3 ARG 68 3HB ARG 68 -3.203 -28.375 2.639 557 HG2 ARG 68 2HG ARG 68 -5.227 -27.814 1.427 558 HG3 ARG 68 3HG ARG 68 -6.093 -27.560 2.943 559 HD2 ARG 68 2HD ARG 68 -4.567 -25.722 3.506 560 HD3 ARG 68 3HD ARG 68 -3.703 -25.977 1.990 561 HE ARG 68 HE ARG 68 -5.892 -25.413 0.890 562 HH11 ARG 68 1HH1 ARG 68 -5.055 -24.165 4.001 563 HH12 ARG 68 2HH1 ARG 68 -6.097 -22.793 3.842 564 HH21 ARG 68 1HH2 ARG 68 -7.184 -23.640 0.692 565 HH22 ARG 68 2HH2 ARG 68 -7.275 -22.487 1.979 566 H ASP 69 H ASP 69 -2.988 -31.039 1.648 567 HA ASP 69 HA ASP 69 -4.390 -30.800 -0.784 568 HB2 ASP 69 2HB ASP 69 -2.301 -32.849 -0.002 569 HB3 ASP 69 3HB ASP 69 -2.827 -32.517 -1.649 570 H SER 70 H SER 70 -4.172 -33.566 1.453 571 HA SER 70 HA SER 70 -5.997 -35.138 -0.166 572 HB2 SER 70 2HB SER 70 -4.113 -36.239 0.972 573 HB3 SER 70 3HB SER 70 -4.779 -35.768 2.535 574 HG SER 70 HG SER 70 -6.102 -37.412 0.622 575 H LEU 71 H LEU 71 -6.086 -33.585 3.037 576 HA LEU 71 HA LEU 71 -8.671 -34.530 3.739 577 HB2 LEU 71 2HB LEU 71 -7.039 -33.763 5.398 578 HB3 LEU 71 3HB LEU 71 -7.137 -32.132 4.760 579 HG LEU 71 HG LEU 71 -9.514 -32.019 5.460 580 HD11 LEU 71 1HD1 LEU 71 -8.977 -34.709 6.726 581 HD12 LEU 71 2HD1 LEU 71 -10.066 -34.387 5.376 582 HD13 LEU 71 3HD1 LEU 71 -10.419 -33.721 6.968 583 HD21 LEU 71 3HD2 LEU 71 -9.087 -31.849 7.872 584 HD22 LEU 71 1HD2 LEU 71 -7.786 -31.134 6.922 585 HD23 LEU 71 2HD2 LEU 71 -7.568 -32.721 7.661 586 H GLU 72 H GLU 72 -7.554 -31.489 2.295 587 HA GLU 72 HA GLU 72 -8.589 -29.863 1.105 588 HB2 GLU 72 2HB GLU 72 -10.959 -31.745 1.022 589 HB3 GLU 72 3HB GLU 72 -10.748 -30.311 0.028 590 HG2 GLU 72 2HG GLU 72 -8.807 -31.327 -1.050 591 HG3 GLU 72 3HG GLU 72 -8.986 -32.762 -0.038 592 H HIS 73 H HIS 73 -11.265 -31.225 3.020 593 HA HIS 73 HA HIS 73 -12.107 -28.513 3.742 594 HB2 HIS 73 2HB HIS 73 -14.220 -29.775 4.474 595 HB3 HIS 73 3HB HIS 73 -13.866 -29.737 2.749 596 HD1 HIS 73 HD1 HIS 73 -13.324 -32.095 5.702 597 HD2 HIS 73 HD2 HIS 73 -13.834 -32.182 1.576 598 HE1 HIS 73 HE1 HIS 73 -13.380 -34.525 5.079 599 HE2 HIS 73 HE2 HIS 73 -13.490 -34.546 2.569 600 H HIS 74 H HIS 74 -12.174 -27.761 5.810 601 HA HIS 74 HA HIS 74 -10.894 -29.281 7.908 602 HB2 HIS 74 2HB HIS 74 -10.407 -26.923 7.779 603 HB3 HIS 74 3HB HIS 74 -12.116 -26.511 7.852 604 HD1 HIS 74 HD1 HIS 74 -13.079 -26.099 10.116 605 HD2 HIS 74 HD2 HIS 74 -9.385 -27.992 10.313 606 HE1 HIS 74 HE1 HIS 74 -12.476 -26.141 12.549 607 HE2 HIS 74 HE2 HIS 74 -10.161 -27.121 12.624 608 H HIS 75 H HIS 75 -11.958 -30.735 9.093 609 HA HIS 75 HA HIS 75 -14.751 -30.995 9.276 610 HB2 HIS 75 2HB HIS 75 -13.219 -32.860 9.694 611 HB3 HIS 75 3HB HIS 75 -12.589 -32.048 11.122 612 HD1 HIS 75 HD1 HIS 75 -15.980 -33.294 9.893 613 HD2 HIS 75 HD2 HIS 75 -13.755 -32.941 13.386 614 HE1 HIS 75 HE1 HIS 75 -17.381 -34.336 11.690 615 HE2 HIS 75 HE2 HIS 75 -15.929 -34.291 13.738 616 H HIS 76 H HIS 76 -16.254 -30.163 10.631 617 HA HIS 76 HA HIS 76 -15.507 -27.944 12.323 618 HB2 HIS 76 2HB HIS 76 -18.211 -29.186 11.751 619 HB3 HIS 76 3HB HIS 76 -17.963 -27.719 12.693 620 HD1 HIS 76 HD1 HIS 76 -18.361 -28.929 9.253 621 HD2 HIS 76 HD2 HIS 76 -16.916 -25.506 11.118 622 HE1 HIS 76 HE1 HIS 76 -18.244 -27.183 7.457 623 HE2 HIS 76 HE2 HIS 76 -17.519 -25.088 8.638 624 H HIS 77 H HIS 77 -15.153 -27.993 14.442 625 HA HIS 77 HA HIS 77 -15.674 -30.446 15.962 626 HB2 HIS 77 2HB HIS 77 -13.426 -29.393 16.087 627 HB3 HIS 77 3HB HIS 77 -14.153 -27.937 16.753 628 HD1 HIS 77 HD1 HIS 77 -12.905 -31.270 17.677 629 HD2 HIS 77 HD2 HIS 77 -15.145 -28.252 19.440 630 HE1 HIS 77 HE1 HIS 77 -12.914 -31.788 20.127 631 HE2 HIS 77 HE2 HIS 77 -14.471 -30.089 21.129 632 H HIS 78 H HIS 78 -17.131 -30.583 17.623 633 HA HIS 78 HA HIS 78 -18.446 -28.136 18.591 634 HB2 HIS 78 2HB HIS 78 -19.871 -29.032 16.783 635 HB3 HIS 78 3HB HIS 78 -19.944 -30.587 17.604 636 HD1 HIS 78 HD1 HIS 78 -21.283 -30.628 19.886 637 HD2 HIS 78 HD2 HIS 78 -21.698 -27.154 17.650 638 HE1 HIS 78 HE1 HIS 78 -23.301 -29.466 20.822 639 HE2 HIS 78 HE2 HIS 78 -23.633 -27.458 19.344 Start of MODEL 10 1 H1 MET 1 1H MET 1 9.023 -5.984 -3.177 2 H2 MET 1 2H MET 1 10.317 -7.011 -3.539 3 H3 MET 1 3H MET 1 10.285 -5.446 -4.169 4 HA MET 1 HA MET 1 11.848 -5.572 -2.364 5 HB2 MET 1 2HB MET 1 9.342 -4.012 -1.678 6 HB3 MET 1 3HB MET 1 10.921 -3.749 -0.947 7 HG2 MET 1 2HG MET 1 10.219 -3.378 -3.857 8 HG3 MET 1 3HG MET 1 10.477 -2.098 -2.671 9 HE1 MET 1 3HE MET 1 14.302 -2.438 -1.909 10 HE2 MET 1 1HE MET 1 12.982 -3.196 -1.019 11 HE3 MET 1 2HE MET 1 12.825 -1.533 -1.584 12 H ALA 2 H ALA 2 11.642 -5.221 0.250 13 HA ALA 2 HA ALA 2 11.118 -7.874 1.183 14 HB1 ALA 2 3HB ALA 2 13.033 -6.574 1.982 15 HB2 ALA 2 1HB ALA 2 12.004 -7.111 3.311 16 HB3 ALA 2 2HB ALA 2 11.934 -5.436 2.761 17 H GLN 3 H GLN 3 8.862 -8.185 0.978 18 HA GLN 3 HA GLN 3 7.040 -6.627 2.619 19 HB2 GLN 3 2HB GLN 3 6.583 -9.211 1.103 20 HB3 GLN 3 3HB GLN 3 5.330 -8.221 1.839 21 HG2 GLN 3 2HG GLN 3 5.886 -6.388 0.307 22 HG3 GLN 3 3HG GLN 3 7.129 -7.395 -0.436 23 HE21 GLN 3 1HE2 GLN 3 6.485 -9.185 -1.692 24 HE22 GLN 3 2HE2 GLN 3 4.890 -9.297 -2.348 25 H ILE 4 H ILE 4 6.225 -7.221 4.606 26 HA ILE 4 HA ILE 4 7.760 -9.056 6.158 27 HB ILE 4 HB ILE 4 5.133 -7.756 6.925 28 HG12 ILE 4 2HG1 ILE 4 6.748 -6.047 6.220 29 HG13 ILE 4 3HG1 ILE 4 6.514 -5.983 7.963 30 HG21 ILE 4 1HG2 ILE 4 5.934 -8.041 9.232 31 HG22 ILE 4 2HG2 ILE 4 7.367 -8.875 8.629 32 HG23 ILE 4 3HG2 ILE 4 5.770 -9.590 8.402 33 HD11 ILE 4 3HD1 ILE 4 8.854 -5.692 7.371 34 HD12 ILE 4 1HD1 ILE 4 8.852 -7.248 6.539 35 HD13 ILE 4 2HD1 ILE 4 8.621 -7.180 8.286 36 H ILE 5 H ILE 5 7.423 -11.004 4.859 37 HA ILE 5 HA ILE 5 5.114 -12.528 5.852 38 HB ILE 5 HB ILE 5 6.008 -12.621 2.955 39 HG12 ILE 5 2HG1 ILE 5 3.425 -11.561 4.152 40 HG13 ILE 5 3HG1 ILE 5 4.710 -10.573 3.466 41 HG21 ILE 5 1HG2 ILE 5 4.112 -14.151 2.640 42 HG22 ILE 5 2HG2 ILE 5 3.767 -14.080 4.368 43 HG23 ILE 5 3HG2 ILE 5 5.275 -14.796 3.799 44 HD11 ILE 5 3HD1 ILE 5 2.986 -12.548 1.985 45 HD12 ILE 5 1HD1 ILE 5 4.315 -11.625 1.279 46 HD13 ILE 5 2HD1 ILE 5 2.894 -10.789 1.903 47 H PHE 6 H PHE 6 6.536 -13.574 7.290 48 HA PHE 6 HA PHE 6 7.660 -15.986 6.334 49 HB2 PHE 6 2HB PHE 6 9.499 -14.469 5.618 50 HB3 PHE 6 3HB PHE 6 9.701 -13.952 7.289 51 HD1 PHE 6 HD1 PHE 6 9.808 -16.959 5.107 52 HD2 PHE 6 HD2 PHE 6 11.138 -15.132 8.717 53 HE1 PHE 6 HE1 PHE 6 11.359 -18.829 5.481 54 HE2 PHE 6 HE2 PHE 6 12.694 -16.999 9.092 55 HZ PHE 6 HZ PHE 6 12.808 -18.850 7.473 56 H ASN 7 H ASN 7 7.482 -17.432 7.944 57 HA ASN 7 HA ASN 7 8.059 -16.716 10.689 58 HB2 ASN 7 2HB ASN 7 5.805 -17.478 11.518 59 HB3 ASN 7 3HB ASN 7 5.798 -15.946 10.654 60 HD21 ASN 7 1HD2 ASN 7 3.641 -17.838 11.131 61 HD22 ASN 7 2HD2 ASN 7 3.026 -18.260 9.574 62 H GLU 8 H GLU 8 9.282 -18.325 11.377 63 HA GLU 8 HA GLU 8 8.809 -21.056 10.426 64 HB2 GLU 8 2HB GLU 8 11.098 -19.884 12.023 65 HB3 GLU 8 3HB GLU 8 10.983 -21.568 11.527 66 HG2 GLU 8 2HG GLU 8 10.999 -20.843 9.167 67 HG3 GLU 8 3HG GLU 8 11.194 -19.173 9.703 68 H GLU 9 H GLU 9 7.153 -21.929 11.580 69 HA GLU 9 HA GLU 9 6.999 -21.582 14.469 70 HB2 GLU 9 2HB GLU 9 5.194 -23.083 12.558 71 HB3 GLU 9 3HB GLU 9 4.884 -22.864 14.273 72 HG2 GLU 9 2HG GLU 9 5.079 -20.661 12.224 73 HG3 GLU 9 3HG GLU 9 3.589 -21.313 12.904 74 H TRP 10 H TRP 10 8.831 -22.729 15.179 75 HA TRP 10 HA TRP 10 8.981 -25.599 14.601 76 HB2 TRP 10 2HB TRP 10 10.890 -23.816 16.136 77 HB3 TRP 10 3HB TRP 10 11.169 -25.506 15.734 78 HD1 TRP 10 HD1 TRP 10 11.774 -22.088 14.456 79 HE1 TRP 10 HE1 TRP 10 12.693 -22.172 12.056 80 HE3 TRP 10 HE3 TRP 10 10.815 -26.991 13.387 81 HZ2 TRP 10 HZ2 TRP 10 12.966 -24.056 9.980 82 HZ3 TRP 10 HZ3 TRP 10 11.437 -27.857 11.176 83 HH2 TRP 10 HH2 TRP 10 12.492 -26.418 9.503 84 H MET 11 H MET 11 8.410 -27.137 16.024 85 HA MET 11 HA MET 11 8.413 -26.569 18.886 86 HB2 MET 11 2HB MET 11 6.129 -27.554 19.164 87 HB3 MET 11 3HB MET 11 6.144 -26.006 18.333 88 HG2 MET 11 2HG MET 11 5.974 -27.219 16.175 89 HG3 MET 11 3HG MET 11 5.827 -28.725 17.079 90 HE1 MET 11 3HE MET 11 4.177 -25.230 16.325 91 HE2 MET 11 1HE MET 11 4.364 -25.224 18.080 92 HE3 MET 11 2HE MET 11 2.754 -25.291 17.363 93 H VAL 12 H VAL 12 8.403 -28.475 20.217 94 HA VAL 12 HA VAL 12 9.851 -30.653 19.032 95 HB VAL 12 HB VAL 12 9.939 -31.613 21.274 96 HG11 VAL 12 1HG1 VAL 12 10.386 -28.623 21.329 97 HG12 VAL 12 2HG1 VAL 12 11.518 -29.827 20.710 98 HG13 VAL 12 3HG1 VAL 12 11.107 -29.802 22.425 99 HG21 VAL 12 3HG2 VAL 12 7.657 -31.110 22.009 100 HG22 VAL 12 1HG2 VAL 12 8.054 -29.392 22.094 101 HG23 VAL 12 2HG2 VAL 12 8.840 -30.535 23.182 102 H GLU 13 H GLU 13 9.205 -32.978 19.698 103 HA GLU 13 HA GLU 13 7.027 -33.792 18.207 104 HB2 GLU 13 2HB GLU 13 8.857 -35.277 18.867 105 HB3 GLU 13 3HB GLU 13 8.320 -35.224 20.541 106 HG2 GLU 13 2HG GLU 13 6.162 -36.255 19.792 107 HG3 GLU 13 3HG GLU 13 6.888 -36.465 18.199 108 H LYS 14 H LYS 14 7.151 -33.757 21.783 109 HA LYS 14 HA LYS 14 4.532 -34.461 22.317 110 HB2 LYS 14 2HB LYS 14 6.234 -34.361 24.046 111 HB3 LYS 14 3HB LYS 14 6.373 -32.621 23.863 112 HG2 LYS 14 2HG LYS 14 3.695 -33.681 24.589 113 HG3 LYS 14 3HG LYS 14 4.958 -33.777 25.818 114 HD2 LYS 14 2HD LYS 14 4.147 -31.252 24.356 115 HD3 LYS 14 3HD LYS 14 3.611 -31.697 25.977 116 HE2 LYS 14 2HE LYS 14 5.941 -31.669 26.750 117 HE3 LYS 14 3HE LYS 14 6.473 -31.233 25.126 118 HZ1 LYS 14 3HZ LYS 14 5.231 -29.172 25.306 119 HZ2 LYS 14 1HZ LYS 14 6.345 -29.306 26.568 120 HZ3 LYS 14 2HZ LYS 14 4.706 -29.592 26.856 121 H ALA 15 H ALA 15 5.806 -31.146 21.890 122 HA ALA 15 HA ALA 15 3.345 -29.820 22.303 123 HB1 ALA 15 3HB ALA 15 4.406 -27.877 21.277 124 HB2 ALA 15 1HB ALA 15 5.720 -28.894 20.680 125 HB3 ALA 15 2HB ALA 15 5.500 -28.664 22.415 126 H LEU 16 H LEU 16 4.907 -31.017 19.367 127 HA LEU 16 HA LEU 16 3.190 -29.895 17.467 128 HB2 LEU 16 2HB LEU 16 5.424 -30.974 17.067 129 HB3 LEU 16 3HB LEU 16 4.655 -32.535 17.252 130 HG LEU 16 HG LEU 16 5.102 -31.782 14.880 131 HD11 LEU 16 1HD1 LEU 16 3.015 -32.623 13.983 132 HD12 LEU 16 2HD1 LEU 16 2.212 -32.364 15.532 133 HD13 LEU 16 3HD1 LEU 16 3.494 -33.568 15.392 134 HD21 LEU 16 3HD2 LEU 16 3.581 -30.176 13.865 135 HD22 LEU 16 1HD2 LEU 16 4.495 -29.421 15.169 136 HD23 LEU 16 2HD2 LEU 16 2.812 -29.885 15.425 137 H MET 17 H MET 17 3.064 -33.159 18.943 138 HA MET 17 HA MET 17 0.806 -34.044 17.534 139 HB2 MET 17 2HB MET 17 0.614 -35.810 19.190 140 HB3 MET 17 3HB MET 17 2.297 -35.562 18.766 141 HG2 MET 17 2HG MET 17 2.647 -34.323 20.835 142 HG3 MET 17 3HG MET 17 0.949 -34.540 21.257 143 HE1 MET 17 3HE MET 17 4.022 -37.976 20.982 144 HE2 MET 17 1HE MET 17 4.410 -36.277 20.717 145 HE3 MET 17 2HE MET 17 3.400 -37.142 19.558 146 H VAL 18 H VAL 18 1.014 -32.285 20.609 147 HA VAL 18 HA VAL 18 -1.783 -32.407 21.177 148 HB VAL 18 HB VAL 18 0.270 -30.427 22.203 149 HG11 VAL 18 1HG1 VAL 18 -1.289 -30.130 24.092 150 HG12 VAL 18 2HG1 VAL 18 -2.455 -31.178 23.282 151 HG13 VAL 18 3HG1 VAL 18 -2.004 -29.633 22.558 152 HG21 VAL 18 3HG2 VAL 18 0.899 -32.759 22.668 153 HG22 VAL 18 1HG2 VAL 18 -0.671 -33.031 23.425 154 HG23 VAL 18 2HG2 VAL 18 0.472 -31.895 24.145 155 H ARG 19 H ARG 19 0.298 -29.956 19.638 156 HA ARG 19 HA ARG 19 -1.708 -27.992 19.283 157 HB2 ARG 19 2HB ARG 19 0.908 -28.497 17.867 158 HB3 ARG 19 3HB ARG 19 -0.129 -27.140 17.457 159 HG2 ARG 19 2HG ARG 19 1.096 -27.644 20.170 160 HG3 ARG 19 3HG ARG 19 1.700 -26.507 18.963 161 HD2 ARG 19 2HD ARG 19 -0.646 -25.457 19.068 162 HD3 ARG 19 3HD ARG 19 -0.848 -26.382 20.556 163 HE ARG 19 HE ARG 19 1.467 -24.604 20.301 164 HH11 ARG 19 1HH1 ARG 19 -1.554 -25.319 21.808 165 HH12 ARG 19 2HH1 ARG 19 -1.360 -24.088 23.002 166 HH21 ARG 19 1HH2 ARG 19 1.683 -23.030 21.827 167 HH22 ARG 19 2HH2 ARG 19 0.435 -22.798 23.002 168 H THR 20 H THR 20 -0.765 -30.752 17.289 169 HA THR 20 HA THR 20 -2.483 -29.869 15.084 170 HB THR 20 HB THR 20 -1.600 -31.847 13.873 171 HG1 THR 20 HG1 THR 20 0.353 -32.308 15.802 172 HG21 THR 20 3HG2 THR 20 0.563 -30.150 15.141 173 HG22 THR 20 1HG2 THR 20 -0.411 -29.690 13.743 174 HG23 THR 20 2HG2 THR 20 0.700 -31.056 13.634 175 H GLY 21 H GLY 21 -2.465 -32.275 17.639 176 HA2 GLY 21 2HA GLY 21 -4.447 -33.360 18.399 177 HA3 GLY 21 3HA GLY 21 -5.151 -33.156 16.804 178 H LEU 22 H LEU 22 -1.950 -34.210 16.646 179 HA LEU 22 HA LEU 22 -2.791 -36.933 15.973 180 HB2 LEU 22 2HB LEU 22 -0.316 -35.312 15.446 181 HB3 LEU 22 3HB LEU 22 -0.266 -37.059 15.305 182 HG LEU 22 HG LEU 22 -1.999 -36.991 13.571 183 HD11 LEU 22 1HD1 LEU 22 -1.839 -33.988 13.835 184 HD12 LEU 22 2HD1 LEU 22 -3.206 -34.999 14.304 185 HD13 LEU 22 3HD1 LEU 22 -2.741 -34.881 12.609 186 HD21 LEU 22 3HD2 LEU 22 0.327 -35.144 13.015 187 HD22 LEU 22 1HD2 LEU 22 -0.658 -35.962 11.800 188 HD23 LEU 22 2HD2 LEU 22 0.342 -36.905 12.905 189 H GLY 23 H GLY 23 -1.142 -38.692 16.593 190 HA2 GLY 23 2HA GLY 23 -0.118 -38.249 19.338 191 HA3 GLY 23 3HA GLY 23 -0.971 -39.719 18.890 192 H ALA 24 H ALA 24 1.586 -39.771 19.990 193 HA ALA 24 HA ALA 24 3.772 -39.752 18.310 194 HB1 ALA 24 3HB ALA 24 3.247 -41.684 20.570 195 HB2 ALA 24 1HB ALA 24 3.918 -40.060 20.728 196 HB3 ALA 24 2HB ALA 24 4.823 -41.308 19.871 197 H ARG 25 H ARG 25 1.505 -42.450 18.853 198 HA ARG 25 HA ARG 25 2.822 -44.355 17.263 199 HB2 ARG 25 2HB ARG 25 0.696 -45.567 17.206 200 HB3 ARG 25 3HB ARG 25 1.052 -44.970 18.821 201 HG2 ARG 25 2HG ARG 25 -0.530 -43.134 18.502 202 HG3 ARG 25 3HG ARG 25 -0.869 -43.701 16.866 203 HD2 ARG 25 2HD ARG 25 -2.603 -44.411 18.456 204 HD3 ARG 25 3HD ARG 25 -1.760 -45.788 17.745 205 HE ARG 25 HE ARG 25 -0.444 -45.234 20.101 206 HH11 ARG 25 1HH1 ARG 25 -3.628 -46.202 19.173 207 HH12 ARG 25 2HH1 ARG 25 -3.949 -46.956 20.694 208 HH21 ARG 25 1HH2 ARG 25 -0.860 -46.240 22.014 209 HH22 ARG 25 2HH2 ARG 25 -2.399 -46.988 22.278 210 H GLN 26 H GLN 26 0.727 -41.713 16.331 211 HA GLN 26 HA GLN 26 0.404 -42.680 13.609 212 HB2 GLN 26 2HB GLN 26 -1.392 -41.383 14.770 213 HB3 GLN 26 3HB GLN 26 -0.333 -39.978 14.773 214 HG2 GLN 26 2HG GLN 26 -0.313 -39.987 12.327 215 HG3 GLN 26 3HG GLN 26 -1.375 -41.392 12.319 216 HE21 GLN 26 1HE2 GLN 26 -2.970 -40.426 14.568 217 HE22 GLN 26 2HE2 GLN 26 -3.937 -39.140 13.950 218 H ILE 27 H ILE 27 2.167 -40.083 15.282 219 HA ILE 27 HA ILE 27 3.277 -38.874 12.983 220 HB ILE 27 HB ILE 27 4.318 -38.863 15.829 221 HG12 ILE 27 2HG1 ILE 27 2.553 -36.891 14.337 222 HG13 ILE 27 3HG1 ILE 27 2.023 -37.986 15.608 223 HG21 ILE 27 1HG2 ILE 27 4.986 -37.005 13.532 224 HG22 ILE 27 2HG2 ILE 27 6.067 -38.212 14.227 225 HG23 ILE 27 3HG2 ILE 27 5.548 -36.834 15.196 226 HD11 ILE 27 3HD1 ILE 27 2.301 -35.718 16.432 227 HD12 ILE 27 1HD1 ILE 27 3.993 -35.736 15.936 228 HD13 ILE 27 2HD1 ILE 27 3.436 -36.821 17.211 229 H GLU 28 H GLU 28 4.504 -41.456 15.101 230 HA GLU 28 HA GLU 28 7.119 -41.574 14.130 231 HB2 GLU 28 2HB GLU 28 7.238 -43.813 15.040 232 HB3 GLU 28 3HB GLU 28 6.362 -42.763 16.143 233 HG2 GLU 28 2HG GLU 28 4.250 -43.709 15.413 234 HG3 GLU 28 3HG GLU 28 5.088 -44.712 14.228 235 H SER 29 H SER 29 4.172 -43.002 12.811 236 HA SER 29 HA SER 29 5.383 -44.592 10.812 237 HB2 SER 29 2HB SER 29 3.026 -44.880 11.386 238 HB3 SER 29 3HB SER 29 2.661 -43.253 10.811 239 HG SER 29 HG SER 29 2.244 -45.075 9.318 240 H TYR 30 H TYR 30 4.289 -41.213 10.790 241 HA TYR 30 HA TYR 30 4.896 -40.687 8.077 242 HB2 TYR 30 2HB TYR 30 4.844 -38.753 10.410 243 HB3 TYR 30 3HB TYR 30 4.822 -38.303 8.708 244 HD1 TYR 30 HD2 TYR 30 2.875 -39.989 7.469 245 HD2 TYR 30 HD1 TYR 30 2.791 -38.296 11.373 246 HE1 TYR 30 HE2 TYR 30 0.421 -40.118 7.468 247 HE2 TYR 30 HE1 TYR 30 0.337 -38.419 11.382 248 HH TYR 30 HH TYR 30 -1.506 -38.633 9.960 249 H ARG 31 H ARG 31 6.865 -40.600 11.006 250 HA ARG 31 HA ARG 31 9.135 -39.317 9.933 251 HB2 ARG 31 2HB ARG 31 9.074 -41.453 12.090 252 HB3 ARG 31 3HB ARG 31 10.397 -40.338 11.779 253 HG2 ARG 31 2HG ARG 31 8.812 -38.463 12.316 254 HG3 ARG 31 3HG ARG 31 7.655 -39.686 12.838 255 HD2 ARG 31 2HD ARG 31 10.407 -39.203 13.989 256 HD3 ARG 31 3HD ARG 31 8.870 -38.794 14.747 257 HE ARG 31 HE ARG 31 9.395 -41.605 14.122 258 HH11 ARG 31 1HH1 ARG 31 9.154 -39.126 16.508 259 HH12 ARG 31 2HH1 ARG 31 9.063 -40.244 17.817 260 HH21 ARG 31 1HH2 ARG 31 9.304 -43.024 15.808 261 HH22 ARG 31 2HH2 ARG 31 9.153 -42.432 17.430 262 H GLN 32 H GLN 32 7.920 -42.542 9.503 263 HA GLN 32 HA GLN 32 10.343 -43.846 8.824 264 HB2 GLN 32 2HB GLN 32 7.494 -44.546 8.082 265 HB3 GLN 32 3HB GLN 32 8.876 -45.611 7.876 266 HG2 GLN 32 2HG GLN 32 7.878 -44.538 10.513 267 HG3 GLN 32 3HG GLN 32 7.558 -46.150 9.875 268 HE21 GLN 32 1HE2 GLN 32 9.233 -47.661 9.827 269 HE22 GLN 32 2HE2 GLN 32 10.680 -47.455 10.746 270 H GLY 33 H GLY 33 7.991 -42.066 6.847 271 HA2 GLY 33 2HA GLY 33 9.906 -41.855 4.694 272 HA3 GLY 33 3HA GLY 33 8.578 -42.933 4.312 273 H ALA 34 H ALA 34 8.240 -40.003 6.237 274 HA ALA 34 HA ALA 34 7.159 -38.572 3.903 275 HB1 ALA 34 3HB ALA 34 5.258 -37.757 5.192 276 HB2 ALA 34 1HB ALA 34 5.786 -38.694 6.590 277 HB3 ALA 34 2HB ALA 34 5.256 -39.520 5.125 278 H TRP 35 H TRP 35 9.018 -38.522 6.773 279 HA TRP 35 HA TRP 35 8.989 -35.643 7.100 280 HB2 TRP 35 2HB TRP 35 10.222 -37.942 8.547 281 HB3 TRP 35 3HB TRP 35 10.951 -36.359 8.753 282 HD1 TRP 35 HD1 TRP 35 10.204 -36.781 11.364 283 HE1 TRP 35 HE1 TRP 35 8.035 -36.132 12.572 284 HE3 TRP 35 HE3 TRP 35 7.121 -36.144 7.311 285 HZ2 TRP 35 HZ2 TRP 35 5.397 -35.432 11.928 286 HZ3 TRP 35 HZ3 TRP 35 4.791 -35.475 7.710 287 HH2 TRP 35 HH2 TRP 35 3.947 -35.128 9.973 288 H ILE 36 H ILE 36 10.061 -34.426 5.694 289 HA ILE 36 HA ILE 36 12.734 -35.255 4.749 290 HB ILE 36 HB ILE 36 10.903 -33.121 3.613 291 HG12 ILE 36 2HG1 ILE 36 11.478 -35.902 2.539 292 HG13 ILE 36 3HG1 ILE 36 9.984 -35.409 3.329 293 HG21 ILE 36 1HG2 ILE 36 12.435 -33.117 1.698 294 HG22 ILE 36 2HG2 ILE 36 13.464 -34.292 2.517 295 HG23 ILE 36 3HG2 ILE 36 13.265 -32.673 3.191 296 HD11 ILE 36 3HD1 ILE 36 11.058 -34.334 0.732 297 HD12 ILE 36 1HD1 ILE 36 9.582 -33.790 1.531 298 HD13 ILE 36 2HD1 ILE 36 9.705 -35.445 0.935 299 H GLU 37 H GLU 37 14.496 -34.099 5.449 300 HA GLU 37 HA GLU 37 14.172 -32.057 7.416 301 HB2 GLU 37 2HB GLU 37 16.584 -31.932 7.499 302 HB3 GLU 37 3HB GLU 37 16.096 -33.617 7.421 303 HG2 GLU 37 2HG GLU 37 16.635 -33.628 5.007 304 HG3 GLU 37 3HG GLU 37 17.198 -31.965 5.151 305 H GLY 38 H GLY 38 14.425 -29.857 7.286 306 HA2 GLY 38 2HA GLY 38 14.747 -27.777 6.230 307 HA3 GLY 38 3HA GLY 38 14.940 -28.604 4.692 308 H VAL 39 H VAL 39 12.576 -30.161 4.753 309 HA VAL 39 HA VAL 39 10.618 -28.110 4.076 310 HB VAL 39 HB VAL 39 10.458 -31.115 3.725 311 HG11 VAL 39 1HG1 VAL 39 8.612 -30.644 2.180 312 HG12 VAL 39 2HG1 VAL 39 8.719 -28.927 2.571 313 HG13 VAL 39 3HG1 VAL 39 8.243 -30.086 3.812 314 HG21 VAL 39 3HG2 VAL 39 10.970 -30.684 1.370 315 HG22 VAL 39 1HG2 VAL 39 12.277 -30.129 2.417 316 HG23 VAL 39 2HG2 VAL 39 11.151 -28.964 1.717 317 H HIS 40 H HIS 40 10.404 -31.206 5.896 318 HA HIS 40 HA HIS 40 8.024 -30.162 7.250 319 HB2 HIS 40 2HB HIS 40 9.141 -32.949 6.954 320 HB3 HIS 40 3HB HIS 40 7.839 -32.583 8.082 321 HD1 HIS 40 HD1 HIS 40 7.508 -34.466 5.560 322 HD2 HIS 40 HD2 HIS 40 6.394 -30.468 5.781 323 HE1 HIS 40 HE1 HIS 40 5.736 -34.161 3.812 324 HE2 HIS 40 HE2 HIS 40 5.200 -31.703 3.858 325 H PHE 41 H PHE 41 11.264 -31.362 8.047 326 HA PHE 41 HA PHE 41 10.989 -30.123 10.697 327 HB2 PHE 41 2HB PHE 41 11.775 -32.017 11.899 328 HB3 PHE 41 3HB PHE 41 10.513 -32.631 10.839 329 HD1 PHE 41 HD1 PHE 41 11.151 -33.915 8.782 330 HD2 PHE 41 HD2 PHE 41 14.020 -32.789 11.722 331 HE1 PHE 41 HE1 PHE 41 12.727 -35.586 7.891 332 HE2 PHE 41 HE2 PHE 41 15.596 -34.451 10.830 333 HZ PHE 41 HZ PHE 41 14.948 -35.854 8.912 334 H LYS 42 H LYS 42 13.222 -30.142 11.842 335 HA LYS 42 HA LYS 42 15.479 -30.367 9.993 336 HB2 LYS 42 2HB LYS 42 16.425 -28.228 10.542 337 HB3 LYS 42 3HB LYS 42 14.787 -27.971 9.963 338 HG2 LYS 42 2HG LYS 42 14.001 -27.667 12.251 339 HG3 LYS 42 3HG LYS 42 15.624 -27.986 12.863 340 HD2 LYS 42 2HD LYS 42 14.839 -25.689 11.060 341 HD3 LYS 42 3HD LYS 42 15.126 -25.577 12.795 342 HE2 LYS 42 2HE LYS 42 17.455 -26.263 12.457 343 HE3 LYS 42 3HE LYS 42 17.167 -26.397 10.722 344 HZ1 LYS 42 3HZ LYS 42 18.214 -24.310 11.211 345 HZ2 LYS 42 1HZ LYS 42 17.021 -23.914 12.340 346 HZ3 LYS 42 2HZ LYS 42 16.630 -24.014 10.702 347 H ARG 43 H ARG 43 17.194 -31.333 10.914 348 HA ARG 43 HA ARG 43 17.147 -31.947 13.737 349 HB2 ARG 43 2HB ARG 43 19.455 -33.000 13.138 350 HB3 ARG 43 3HB ARG 43 17.979 -33.751 12.551 351 HG2 ARG 43 2HG ARG 43 18.311 -32.660 10.366 352 HG3 ARG 43 3HG ARG 43 19.819 -31.960 10.961 353 HD2 ARG 43 2HD ARG 43 20.830 -34.097 11.180 354 HD3 ARG 43 3HD ARG 43 19.290 -34.926 10.957 355 HE ARG 43 HE ARG 43 19.630 -33.568 8.627 356 HH11 ARG 43 1HH1 ARG 43 21.604 -35.759 10.411 357 HH12 ARG 43 2HH1 ARG 43 22.337 -36.424 8.994 358 HH21 ARG 43 1HH2 ARG 43 20.536 -34.450 6.816 359 HH22 ARG 43 2HH2 ARG 43 21.735 -35.688 6.972 360 H VAL 44 H VAL 44 17.570 -30.357 15.058 361 HA VAL 44 HA VAL 44 19.388 -28.198 14.375 362 HB VAL 44 HB VAL 44 17.559 -28.615 16.753 363 HG11 VAL 44 1HG1 VAL 44 19.430 -27.208 17.409 364 HG12 VAL 44 2HG1 VAL 44 17.957 -26.249 17.280 365 HG13 VAL 44 3HG1 VAL 44 19.173 -26.173 16.003 366 HG21 VAL 44 3HG2 VAL 44 16.355 -28.291 14.666 367 HG22 VAL 44 1HG2 VAL 44 17.299 -26.841 14.320 368 HG23 VAL 44 2HG2 VAL 44 16.188 -26.865 15.690 369 H SER 45 H SER 45 21.440 -28.123 14.998 370 HA SER 45 HA SER 45 22.506 -29.887 17.031 371 HB2 SER 45 2HB SER 45 23.793 -27.697 15.381 372 HB3 SER 45 3HB SER 45 24.669 -28.719 16.518 373 HG SER 45 HG SER 45 23.291 -29.524 14.169 374 HA PRO 46 HA PRO 46 21.667 -27.032 20.407 375 HB2 PRO 46 2HB PRO 46 23.477 -28.136 22.195 376 HB3 PRO 46 3HB PRO 46 21.836 -28.728 21.927 377 HG2 PRO 46 2HG PRO 46 24.418 -29.724 20.782 378 HG3 PRO 46 3HG PRO 46 23.034 -30.648 21.398 379 HD2 PRO 46 2HD PRO 46 23.429 -30.333 18.767 380 HD3 PRO 46 3HD PRO 46 21.789 -30.313 19.454 381 H SER 47 H SER 47 24.825 -27.602 19.031 382 HA SER 47 HA SER 47 25.568 -24.840 19.724 383 HB2 SER 47 2HB SER 47 26.817 -26.233 21.283 384 HB3 SER 47 3HB SER 47 27.407 -27.238 19.957 385 HG SER 47 HG SER 47 28.762 -25.688 19.349 386 H GLY 48 H GLY 48 25.492 -23.883 17.776 387 HA2 GLY 48 2HA GLY 48 26.080 -23.333 15.633 388 HA3 GLY 48 3HA GLY 48 27.464 -24.394 15.827 389 H GLU 49 H GLU 49 27.532 -26.189 14.607 390 HA GLU 49 HA GLU 49 25.049 -27.313 13.510 391 HB2 GLU 49 2HB GLU 49 25.987 -27.356 11.237 392 HB3 GLU 49 3HB GLU 49 25.819 -25.710 11.834 393 HG2 GLU 49 2HG GLU 49 28.190 -25.603 12.316 394 HG3 GLU 49 3HG GLU 49 28.390 -27.285 11.827 395 H LYS 50 H LYS 50 25.445 -29.381 12.331 396 HA LYS 50 HA LYS 50 26.205 -31.512 12.187 397 HB2 LYS 50 2HB LYS 50 28.852 -30.058 12.262 398 HB3 LYS 50 3HB LYS 50 28.671 -31.754 11.830 399 HG2 LYS 50 2HG LYS 50 27.241 -31.118 9.940 400 HG3 LYS 50 3HG LYS 50 27.440 -29.420 10.367 401 HD2 LYS 50 2HD LYS 50 29.654 -31.311 9.549 402 HD3 LYS 50 3HD LYS 50 28.932 -30.062 8.531 403 HE2 LYS 50 2HE LYS 50 29.684 -28.355 10.165 404 HE3 LYS 50 3HE LYS 50 30.487 -29.627 11.087 405 HZ1 LYS 50 3HZ LYS 50 32.015 -28.450 9.629 406 HZ2 LYS 50 1HZ LYS 50 31.103 -28.887 8.276 407 HZ3 LYS 50 2HZ LYS 50 31.897 -30.074 9.184 408 H THR 51 H THR 51 25.805 -30.482 14.979 409 HA THR 51 HA THR 51 27.769 -31.768 16.631 410 HB THR 51 HB THR 51 24.916 -31.082 17.403 411 HG1 THR 51 HG1 THR 51 26.848 -29.420 16.650 412 HG21 THR 51 3HG2 THR 51 25.847 -30.875 19.673 413 HG22 THR 51 1HG2 THR 51 27.424 -31.380 19.071 414 HG23 THR 51 2HG2 THR 51 26.064 -32.504 19.032 415 H LEU 52 H LEU 52 27.291 -33.659 18.054 416 HA LEU 52 HA LEU 52 26.135 -35.821 16.511 417 HB2 LEU 52 2HB LEU 52 27.466 -35.787 19.224 418 HB3 LEU 52 3HB LEU 52 26.933 -37.242 18.408 419 HG LEU 52 HG LEU 52 29.285 -37.084 18.091 420 HD11 LEU 52 1HD1 LEU 52 27.903 -36.186 15.564 421 HD12 LEU 52 2HD1 LEU 52 28.092 -37.846 16.132 422 HD13 LEU 52 3HD1 LEU 52 29.508 -36.911 15.653 423 HD21 LEU 52 3HD2 LEU 52 28.861 -34.263 17.097 424 HD22 LEU 52 1HD2 LEU 52 30.394 -35.136 17.091 425 HD23 LEU 52 2HD2 LEU 52 29.613 -34.736 18.621 426 H ARG 53 H ARG 53 24.455 -33.652 17.817 427 HA ARG 53 HA ARG 53 22.439 -35.441 18.972 428 HB2 ARG 53 2HB ARG 53 23.302 -32.784 20.147 429 HB3 ARG 53 3HB ARG 53 21.855 -33.652 20.637 430 HG2 ARG 53 2HG ARG 53 24.652 -34.757 20.851 431 HG3 ARG 53 3HG ARG 53 23.786 -33.962 22.167 432 HD2 ARG 53 2HD ARG 53 22.073 -35.677 22.119 433 HD3 ARG 53 3HD ARG 53 22.829 -36.434 20.718 434 HE ARG 53 HE ARG 53 24.660 -37.086 22.125 435 HH11 ARG 53 1HH1 ARG 53 21.950 -35.793 23.825 436 HH12 ARG 53 2HH1 ARG 53 22.356 -36.612 25.292 437 HH21 ARG 53 1HH2 ARG 53 25.162 -38.120 24.028 438 HH22 ARG 53 2HH2 ARG 53 24.137 -37.909 25.407 439 H GLY 54 H GLY 54 21.562 -35.259 16.785 440 HA2 GLY 54 2HA GLY 54 20.691 -32.717 15.769 441 HA3 GLY 54 3HA GLY 54 20.269 -34.297 15.131 442 H THR 55 H THR 55 19.450 -31.901 17.601 443 HA THR 55 HA THR 55 17.077 -33.202 18.521 444 HB THR 55 HB THR 55 17.770 -30.249 18.654 445 HG1 THR 55 HG1 THR 55 19.355 -31.262 19.780 446 HG21 THR 55 3HG2 THR 55 15.839 -31.908 20.293 447 HG22 THR 55 1HG2 THR 55 15.402 -30.678 19.107 448 HG23 THR 55 2HG2 THR 55 16.242 -30.216 20.588 449 H THR 56 H THR 56 15.275 -33.498 17.334 450 HA THR 56 HA THR 56 14.965 -32.016 14.858 451 HB THR 56 HB THR 56 13.443 -34.385 15.969 452 HG1 THR 56 HG1 THR 56 15.262 -35.228 15.198 453 HG21 THR 56 3HG2 THR 56 13.135 -33.018 13.288 454 HG22 THR 56 1HG2 THR 56 11.925 -33.091 14.570 455 HG23 THR 56 2HG2 THR 56 12.409 -34.563 13.728 456 H TRP 57 H TRP 57 13.921 -30.164 14.824 457 HA TRP 57 HA TRP 57 11.445 -29.838 16.396 458 HB2 TRP 57 2HB TRP 57 13.194 -27.801 14.983 459 HB3 TRP 57 3HB TRP 57 11.666 -27.414 15.769 460 HD1 TRP 57 HD1 TRP 57 15.125 -28.902 16.729 461 HE1 TRP 57 HE1 TRP 57 15.649 -28.193 19.144 462 HE3 TRP 57 HE3 TRP 57 10.765 -26.468 17.837 463 HZ2 TRP 57 HZ2 TRP 57 14.389 -26.799 21.238 464 HZ3 TRP 57 HZ3 TRP 57 10.508 -25.470 20.069 465 HH2 TRP 57 HH2 TRP 57 12.291 -25.634 21.733 466 H TYR 58 H TYR 58 9.484 -29.409 15.369 467 HA TYR 58 HA TYR 58 9.434 -30.122 12.502 468 HB2 TYR 58 2HB TYR 58 7.229 -30.367 14.567 469 HB3 TYR 58 3HB TYR 58 7.163 -30.941 12.905 470 HD1 TYR 58 HD2 TYR 58 8.672 -32.827 12.200 471 HD2 TYR 58 HD1 TYR 58 8.219 -31.691 16.282 472 HE1 TYR 58 HE2 TYR 58 9.582 -34.998 12.905 473 HE2 TYR 58 HE1 TYR 58 9.125 -33.862 16.988 474 HH TYR 58 HH TYR 58 10.707 -35.982 14.865 475 H ASN 59 H ASN 59 8.261 -28.942 11.007 476 HA ASN 59 HA ASN 59 7.487 -26.236 11.700 477 HB2 ASN 59 2HB ASN 59 7.327 -27.757 9.085 478 HB3 ASN 59 3HB ASN 59 6.852 -26.074 9.274 479 HD21 ASN 59 1HD2 ASN 59 9.483 -28.290 9.072 480 HD22 ASN 59 2HD2 ASN 59 10.731 -27.111 8.944 481 H TYR 60 H TYR 60 5.583 -25.906 12.683 482 HA TYR 60 HA TYR 60 3.386 -27.606 12.745 483 HB2 TYR 60 2HB TYR 60 3.715 -25.752 14.321 484 HB3 TYR 60 3HB TYR 60 3.397 -24.590 13.041 485 HD1 TYR 60 HD1 TYR 60 1.828 -27.341 14.998 486 HD2 TYR 60 HD2 TYR 60 1.192 -23.895 12.577 487 HE1 TYR 60 HE1 TYR 60 -0.565 -27.393 15.556 488 HE2 TYR 60 HE2 TYR 60 -1.201 -23.943 13.132 489 HH TYR 60 HH TYR 60 -2.479 -25.652 15.646 490 HA PRO 61 HA PRO 61 1.200 -25.042 9.241 491 HB2 PRO 61 2HB PRO 61 2.755 -23.598 7.530 492 HB3 PRO 61 3HB PRO 61 2.067 -22.929 9.015 493 HG2 PRO 61 2HG PRO 61 4.827 -24.006 8.527 494 HG3 PRO 61 3HG PRO 61 4.343 -22.518 9.364 495 HD2 PRO 61 2HD PRO 61 5.020 -24.750 10.710 496 HD3 PRO 61 3HD PRO 61 3.757 -23.651 11.303 497 H GLU 62 H GLU 62 4.248 -26.669 8.700 498 HA GLU 62 HA GLU 62 3.579 -27.477 5.992 499 HB2 GLU 62 2HB GLU 62 5.853 -28.233 7.833 500 HB3 GLU 62 3HB GLU 62 5.652 -28.905 6.220 501 HG2 GLU 62 2HG GLU 62 6.032 -25.993 6.891 502 HG3 GLU 62 3HG GLU 62 7.250 -27.077 6.219 503 H ILE 63 H ILE 63 3.611 -28.966 9.209 504 HA ILE 63 HA ILE 63 2.762 -31.532 8.286 505 HB ILE 63 HB ILE 63 2.575 -30.290 11.039 506 HG12 ILE 63 2HG1 ILE 63 4.540 -32.248 9.806 507 HG13 ILE 63 3HG1 ILE 63 4.869 -30.570 10.223 508 HG21 ILE 63 1HG2 ILE 63 0.902 -32.061 10.800 509 HG22 ILE 63 2HG2 ILE 63 2.202 -32.570 11.875 510 HG23 ILE 63 3HG2 ILE 63 2.143 -33.173 10.219 511 HD11 ILE 63 3HD1 ILE 63 5.822 -32.058 11.857 512 HD12 ILE 63 1HD1 ILE 63 4.250 -32.802 12.143 513 HD13 ILE 63 2HD1 ILE 63 4.524 -31.117 12.589 514 H ASN 64 H ASN 64 1.007 -28.733 9.667 515 HA ASN 64 HA ASN 64 -1.594 -29.695 9.397 516 HB2 ASN 64 2HB ASN 64 -0.497 -26.898 9.065 517 HB3 ASN 64 3HB ASN 64 -2.221 -27.252 9.030 518 HD21 ASN 64 1HD2 ASN 64 -2.659 -26.061 10.867 519 HD22 ASN 64 2HD2 ASN 64 -2.173 -26.578 12.440 520 H LYS 65 H LYS 65 0.515 -28.237 6.941 521 HA LYS 65 HA LYS 65 -1.275 -28.212 4.788 522 HB2 LYS 65 2HB LYS 65 0.842 -27.113 4.542 523 HB3 LYS 65 3HB LYS 65 1.725 -28.600 4.861 524 HG2 LYS 65 2HG LYS 65 0.862 -29.546 2.751 525 HG3 LYS 65 3HG LYS 65 0.039 -28.019 2.424 526 HD2 LYS 65 2HD LYS 65 2.133 -26.849 2.274 527 HD3 LYS 65 3HD LYS 65 3.026 -28.266 2.828 528 HE2 LYS 65 2HE LYS 65 3.227 -27.965 0.404 529 HE3 LYS 65 3HE LYS 65 2.407 -29.474 0.800 530 HZ1 LYS 65 3HZ LYS 65 1.300 -28.343 -1.008 531 HZ2 LYS 65 1HZ LYS 65 1.096 -26.954 -0.070 532 HZ3 LYS 65 2HZ LYS 65 0.286 -28.377 0.338 533 H PHE 66 H PHE 66 0.983 -30.773 5.812 534 HA PHE 66 HA PHE 66 0.326 -32.676 3.867 535 HB2 PHE 66 2HB PHE 66 2.292 -32.832 5.365 536 HB3 PHE 66 3HB PHE 66 1.223 -33.151 6.726 537 HD1 PHE 66 HD2 PHE 66 2.418 -34.507 3.487 538 HD2 PHE 66 HD1 PHE 66 0.442 -35.342 7.172 539 HE1 PHE 66 HE2 PHE 66 2.536 -36.915 3.002 540 HE2 PHE 66 HE1 PHE 66 0.556 -37.752 6.684 541 HZ PHE 66 HZ PHE 66 1.604 -38.541 4.599 542 H ILE 67 H ILE 67 -1.109 -32.084 7.061 543 HA ILE 67 HA ILE 67 -2.936 -34.229 7.085 544 HB ILE 67 HB ILE 67 -3.190 -31.510 8.397 545 HG12 ILE 67 2HG1 ILE 67 -2.208 -34.151 9.527 546 HG13 ILE 67 3HG1 ILE 67 -1.170 -32.812 9.052 547 HG21 ILE 67 1HG2 ILE 67 -4.712 -34.066 8.940 548 HG22 ILE 67 2HG2 ILE 67 -5.368 -32.570 8.274 549 HG23 ILE 67 3HG2 ILE 67 -4.781 -32.612 9.936 550 HD11 ILE 67 3HD1 ILE 67 -2.203 -31.413 10.767 551 HD12 ILE 67 1HD1 ILE 67 -1.474 -32.866 11.448 552 HD13 ILE 67 2HD1 ILE 67 -3.225 -32.767 11.251 553 H ARG 68 H ARG 68 -3.485 -30.808 6.160 554 HA ARG 68 HA ARG 68 -6.138 -31.227 5.244 555 HB2 ARG 68 2HB ARG 68 -4.176 -29.007 4.646 556 HB3 ARG 68 3HB ARG 68 -5.868 -28.983 4.159 557 HG2 ARG 68 2HG ARG 68 -6.465 -29.227 6.592 558 HG3 ARG 68 3HG ARG 68 -4.758 -28.974 6.961 559 HD2 ARG 68 2HD ARG 68 -6.449 -27.039 5.381 560 HD3 ARG 68 3HD ARG 68 -6.187 -26.920 7.119 561 HE ARG 68 HE ARG 68 -3.765 -27.011 5.557 562 HH11 ARG 68 1HH1 ARG 68 -6.207 -24.985 6.877 563 HH12 ARG 68 2HH1 ARG 68 -5.189 -23.593 6.932 564 HH21 ARG 68 1HH2 ARG 68 -2.458 -25.204 5.588 565 HH22 ARG 68 2HH2 ARG 68 -3.090 -23.712 6.190 566 H ASP 69 H ASP 69 -3.032 -31.531 3.693 567 HA ASP 69 HA ASP 69 -3.937 -31.684 1.003 568 HB2 ASP 69 2HB ASP 69 -1.580 -31.272 1.627 569 HB3 ASP 69 3HB ASP 69 -1.468 -32.898 2.292 570 H SER 70 H SER 70 -3.367 -34.132 3.508 571 HA SER 70 HA SER 70 -4.140 -36.373 1.922 572 HB2 SER 70 2HB SER 70 -4.118 -36.070 4.941 573 HB3 SER 70 3HB SER 70 -4.249 -37.596 4.066 574 HG SER 70 HG SER 70 -2.050 -35.788 4.034 575 H LEU 71 H LEU 71 -5.875 -34.084 3.895 576 HA LEU 71 HA LEU 71 -8.296 -35.634 4.074 577 HB2 LEU 71 2HB LEU 71 -7.627 -34.119 5.869 578 HB3 LEU 71 3HB LEU 71 -7.707 -32.754 4.770 579 HG LEU 71 HG LEU 71 -10.157 -33.110 4.543 580 HD11 LEU 71 1HD1 LEU 71 -11.301 -34.599 6.129 581 HD12 LEU 71 2HD1 LEU 71 -9.740 -35.200 6.686 582 HD13 LEU 71 3HD1 LEU 71 -10.258 -35.494 5.025 583 HD21 LEU 71 3HD2 LEU 71 -10.754 -32.259 6.754 584 HD22 LEU 71 1HD2 LEU 71 -9.274 -31.503 6.167 585 HD23 LEU 71 2HD2 LEU 71 -9.189 -32.773 7.387 586 H GLU 72 H GLU 72 -7.472 -32.550 2.468 587 HA GLU 72 HA GLU 72 -8.318 -31.430 0.701 588 HB2 GLU 72 2HB GLU 72 -9.537 -34.105 0.045 589 HB3 GLU 72 3HB GLU 72 -9.807 -32.682 -0.950 590 HG2 GLU 72 2HG GLU 72 -7.226 -32.530 -1.033 591 HG3 GLU 72 3HG GLU 72 -7.274 -34.209 -0.491 592 H HIS 73 H HIS 73 -10.691 -33.198 2.605 593 HA HIS 73 HA HIS 73 -13.040 -32.018 1.805 594 HB2 HIS 73 2HB HIS 73 -12.896 -33.893 3.400 595 HB3 HIS 73 3HB HIS 73 -12.278 -32.797 4.631 596 HD1 HIS 73 HD1 HIS 73 -13.981 -31.288 5.829 597 HD2 HIS 73 HD2 HIS 73 -15.652 -33.650 2.847 598 HE1 HIS 73 HE1 HIS 73 -16.464 -31.080 6.119 599 HE2 HIS 73 HE2 HIS 73 -17.441 -32.678 4.442 600 H HIS 74 H HIS 74 -13.997 -30.116 2.012 601 HA HIS 74 HA HIS 74 -14.626 -28.074 2.741 602 HB2 HIS 74 2HB HIS 74 -14.131 -29.028 5.060 603 HB3 HIS 74 3HB HIS 74 -12.588 -28.186 4.965 604 HD1 HIS 74 HD1 HIS 74 -12.606 -25.821 5.775 605 HD2 HIS 74 HD2 HIS 74 -16.418 -27.187 4.844 606 HE1 HIS 74 HE1 HIS 74 -14.167 -23.988 6.473 607 HE2 HIS 74 HE2 HIS 74 -16.465 -24.832 5.910 608 H HIS 75 H HIS 75 -11.897 -28.771 1.228 609 HA HIS 75 HA HIS 75 -10.678 -26.145 1.204 610 HB2 HIS 75 2HB HIS 75 -10.351 -28.607 -0.508 611 HB3 HIS 75 3HB HIS 75 -9.643 -27.076 -1.000 612 HD1 HIS 75 HD1 HIS 75 -8.026 -29.675 -0.258 613 HD2 HIS 75 HD2 HIS 75 -8.629 -26.389 2.211 614 HE1 HIS 75 HE1 HIS 75 -6.107 -29.687 1.354 615 HE2 HIS 75 HE2 HIS 75 -6.352 -27.542 2.639 616 H HIS 76 H HIS 76 -12.390 -24.708 0.773 617 HA HIS 76 HA HIS 76 -14.124 -25.115 -1.486 618 HB2 HIS 76 2HB HIS 76 -14.784 -23.932 0.648 619 HB3 HIS 76 3HB HIS 76 -13.799 -22.572 0.123 620 HD1 HIS 76 HD1 HIS 76 -16.972 -24.405 -0.686 621 HD2 HIS 76 HD2 HIS 76 -14.947 -20.976 -1.869 622 HE1 HIS 76 HE1 HIS 76 -18.599 -23.109 -2.083 623 HE2 HIS 76 HE2 HIS 76 -17.283 -21.156 -2.949 624 H HIS 77 H HIS 77 -13.866 -24.444 -3.517 625 HA HIS 77 HA HIS 77 -11.572 -22.695 -4.166 626 HB2 HIS 77 2HB HIS 77 -11.469 -25.023 -5.049 627 HB3 HIS 77 3HB HIS 77 -12.971 -24.740 -5.917 628 HD1 HIS 77 HD1 HIS 77 -12.832 -22.907 -7.884 629 HD2 HIS 77 HD2 HIS 77 -9.191 -24.237 -6.371 630 HE1 HIS 77 HE1 HIS 77 -11.120 -22.278 -9.601 631 HE2 HIS 77 HE2 HIS 77 -8.970 -23.266 -8.761 632 H HIS 78 H HIS 78 -11.855 -20.988 -5.682 633 HA HIS 78 HA HIS 78 -14.674 -20.345 -6.292 634 HB2 HIS 78 2HB HIS 78 -13.911 -17.984 -6.562 635 HB3 HIS 78 3HB HIS 78 -13.683 -18.619 -4.941 636 HD1 HIS 78 HD1 HIS 78 -11.188 -19.121 -4.219 637 HD2 HIS 78 HD2 HIS 78 -11.612 -17.073 -7.809 638 HE1 HIS 78 HE1 HIS 78 -8.924 -18.161 -4.719 639 HE2 HIS 78 HE2 HIS 78 -9.248 -16.799 -6.809 Start of MODEL 11 1 H1 MET 1 1H MET 1 1.070 0.773 1.459 2 H2 MET 1 2H MET 1 2.584 0.155 1.882 3 H3 MET 1 3H MET 1 1.224 -0.850 1.914 4 HA MET 1 HA MET 1 0.967 -0.593 -0.486 5 HB2 MET 1 2HB MET 1 2.069 1.619 -0.616 6 HB3 MET 1 3HB MET 1 3.617 0.859 -0.279 7 HG2 MET 1 2HG MET 1 3.375 1.337 -2.647 8 HG3 MET 1 3HG MET 1 3.468 -0.400 -2.363 9 HE1 MET 1 3HE MET 1 0.357 1.981 -1.784 10 HE2 MET 1 1HE MET 1 -0.445 1.854 -3.349 11 HE3 MET 1 2HE MET 1 1.133 2.632 -3.228 12 H ALA 2 H ALA 2 3.786 -1.310 1.527 13 HA ALA 2 HA ALA 2 4.530 -3.538 -0.240 14 HB1 ALA 2 3HB ALA 2 6.590 -3.656 1.023 15 HB2 ALA 2 1HB ALA 2 5.987 -2.458 2.170 16 HB3 ALA 2 2HB ALA 2 6.300 -1.998 0.497 17 H GLN 3 H GLN 3 5.016 -5.651 0.667 18 HA GLN 3 HA GLN 3 3.844 -6.273 3.279 19 HB2 GLN 3 2HB GLN 3 2.579 -8.195 2.371 20 HB3 GLN 3 3HB GLN 3 1.994 -6.659 1.750 21 HG2 GLN 3 2HG GLN 3 3.148 -7.032 -0.355 22 HG3 GLN 3 3HG GLN 3 3.827 -8.537 0.261 23 HE21 GLN 3 1HE2 GLN 3 2.144 -8.110 -2.067 24 HE22 GLN 3 2HE2 GLN 3 0.745 -9.096 -1.838 25 H ILE 4 H ILE 4 5.277 -7.437 4.402 26 HA ILE 4 HA ILE 4 7.377 -8.942 3.027 27 HB ILE 4 HB ILE 4 6.976 -8.436 5.988 28 HG12 ILE 4 2HG1 ILE 4 7.421 -6.359 4.742 29 HG13 ILE 4 3HG1 ILE 4 8.796 -6.785 5.756 30 HG21 ILE 4 1HG2 ILE 4 9.340 -9.601 4.512 31 HG22 ILE 4 2HG2 ILE 4 8.264 -10.457 5.616 32 HG23 ILE 4 3HG2 ILE 4 9.315 -9.179 6.226 33 HD11 ILE 4 3HD1 ILE 4 8.575 -7.231 2.784 34 HD12 ILE 4 1HD1 ILE 4 9.952 -7.682 3.791 35 HD13 ILE 4 2HD1 ILE 4 9.525 -5.983 3.590 36 H ILE 5 H ILE 5 7.144 -11.064 2.597 37 HA ILE 5 HA ILE 5 5.193 -12.636 4.155 38 HB ILE 5 HB ILE 5 6.429 -13.196 1.443 39 HG12 ILE 5 2HG1 ILE 5 3.982 -13.133 0.729 40 HG13 ILE 5 3HG1 ILE 5 3.617 -12.473 2.319 41 HG21 ILE 5 1HG2 ILE 5 4.534 -14.911 3.053 42 HG22 ILE 5 2HG2 ILE 5 6.203 -15.294 2.626 43 HG23 ILE 5 3HG2 ILE 5 4.970 -15.191 1.367 44 HD11 ILE 5 3HD1 ILE 5 5.426 -11.211 0.267 45 HD12 ILE 5 1HD1 ILE 5 5.002 -10.531 1.838 46 HD13 ILE 5 2HD1 ILE 5 3.760 -10.742 0.604 47 H PHE 6 H PHE 6 6.159 -13.547 5.879 48 HA PHE 6 HA PHE 6 8.120 -15.602 5.465 49 HB2 PHE 6 2HB PHE 6 9.568 -13.570 5.561 50 HB3 PHE 6 3HB PHE 6 8.944 -13.232 7.171 51 HD1 PHE 6 HD1 PHE 6 10.845 -15.721 5.182 52 HD2 PHE 6 HD2 PHE 6 9.913 -14.243 9.068 53 HE1 PHE 6 HE1 PHE 6 12.629 -17.121 6.141 54 HE2 PHE 6 HE2 PHE 6 11.694 -15.642 10.030 55 HZ PHE 6 HZ PHE 6 13.056 -17.082 8.566 56 H ASN 7 H ASN 7 6.991 -17.151 6.574 57 HA ASN 7 HA ASN 7 6.638 -16.961 9.398 58 HB2 ASN 7 2HB ASN 7 4.779 -15.489 8.681 59 HB3 ASN 7 3HB ASN 7 4.107 -16.811 7.733 60 HD21 ASN 7 1HD2 ASN 7 3.248 -18.617 8.839 61 HD22 ASN 7 2HD2 ASN 7 2.742 -18.495 10.488 62 H GLU 8 H GLU 8 7.610 -19.009 9.455 63 HA GLU 8 HA GLU 8 5.701 -21.176 8.849 64 HB2 GLU 8 2HB GLU 8 7.669 -22.723 8.614 65 HB3 GLU 8 3HB GLU 8 7.504 -21.542 7.326 66 HG2 GLU 8 2HG GLU 8 9.373 -21.199 9.662 67 HG3 GLU 8 3HG GLU 8 9.842 -21.955 8.140 68 H GLU 9 H GLU 9 5.203 -22.507 10.514 69 HA GLU 9 HA GLU 9 6.082 -21.691 13.152 70 HB2 GLU 9 2HB GLU 9 4.068 -23.816 12.381 71 HB3 GLU 9 3HB GLU 9 4.283 -23.117 13.978 72 HG2 GLU 9 2HG GLU 9 3.325 -21.659 11.518 73 HG3 GLU 9 3HG GLU 9 2.322 -22.208 12.860 74 H TRP 10 H TRP 10 8.034 -22.498 13.741 75 HA TRP 10 HA TRP 10 8.722 -25.287 13.253 76 HB2 TRP 10 2HB TRP 10 10.237 -23.141 14.767 77 HB3 TRP 10 3HB TRP 10 10.859 -24.730 14.339 78 HD1 TRP 10 HD1 TRP 10 10.253 -21.269 12.912 79 HE1 TRP 10 HE1 TRP 10 11.303 -21.133 10.567 80 HE3 TRP 10 HE3 TRP 10 11.385 -26.215 12.238 81 HZ2 TRP 10 HZ2 TRP 10 12.452 -22.886 8.678 82 HZ3 TRP 10 HZ3 TRP 10 12.455 -26.903 10.128 83 HH2 TRP 10 HH2 TRP 10 12.977 -25.271 8.387 84 H MET 11 H MET 11 8.646 -26.913 14.754 85 HA MET 11 HA MET 11 8.562 -26.341 17.585 86 HB2 MET 11 2HB MET 11 6.419 -27.569 17.970 87 HB3 MET 11 3HB MET 11 6.228 -26.033 17.140 88 HG2 MET 11 2HG MET 11 6.064 -27.249 14.994 89 HG3 MET 11 3HG MET 11 6.157 -28.768 15.885 90 HE1 MET 11 3HE MET 11 4.072 -25.487 15.295 91 HE2 MET 11 1HE MET 11 4.302 -25.479 17.044 92 HE3 MET 11 2HE MET 11 2.696 -25.745 16.367 93 H VAL 12 H VAL 12 8.843 -28.199 18.922 94 HA VAL 12 HA VAL 12 10.299 -30.339 17.620 95 HB VAL 12 HB VAL 12 10.758 -31.140 19.924 96 HG11 VAL 12 1HG1 VAL 12 12.254 -29.519 18.877 97 HG12 VAL 12 2HG1 VAL 12 12.146 -29.237 20.615 98 HG13 VAL 12 3HG1 VAL 12 11.271 -28.192 19.496 99 HG21 VAL 12 3HG2 VAL 12 8.652 -30.439 20.976 100 HG22 VAL 12 1HG2 VAL 12 9.117 -28.748 20.789 101 HG23 VAL 12 2HG2 VAL 12 10.045 -29.807 21.852 102 H GLU 13 H GLU 13 9.892 -32.648 18.711 103 HA GLU 13 HA GLU 13 7.517 -33.582 17.548 104 HB2 GLU 13 2HB GLU 13 9.554 -34.949 17.868 105 HB3 GLU 13 3HB GLU 13 9.251 -34.982 19.600 106 HG2 GLU 13 2HG GLU 13 7.171 -36.199 19.233 107 HG3 GLU 13 3HG GLU 13 7.423 -36.134 17.490 108 H LYS 14 H LYS 14 8.310 -33.256 21.027 109 HA LYS 14 HA LYS 14 5.833 -34.164 21.997 110 HB2 LYS 14 2HB LYS 14 7.989 -33.851 23.307 111 HB3 LYS 14 3HB LYS 14 7.604 -32.138 23.384 112 HG2 LYS 14 2HG LYS 14 5.586 -34.131 24.335 113 HG3 LYS 14 3HG LYS 14 6.973 -33.758 25.353 114 HD2 LYS 14 2HD LYS 14 5.131 -31.644 24.234 115 HD3 LYS 14 3HD LYS 14 4.879 -32.411 25.802 116 HE2 LYS 14 2HE LYS 14 7.094 -31.624 26.529 117 HE3 LYS 14 3HE LYS 14 7.326 -30.842 24.966 118 HZ1 LYS 14 3HZ LYS 14 6.559 -29.357 26.788 119 HZ2 LYS 14 1HZ LYS 14 5.091 -30.191 26.808 120 HZ3 LYS 14 2HZ LYS 14 5.564 -29.339 25.422 121 H ALA 15 H ALA 15 6.893 -30.906 21.083 122 HA ALA 15 HA ALA 15 4.487 -29.585 21.857 123 HB1 ALA 15 3HB ALA 15 6.536 -28.752 19.799 124 HB2 ALA 15 1HB ALA 15 6.605 -28.387 21.522 125 HB3 ALA 15 2HB ALA 15 5.313 -27.712 20.530 126 H LEU 16 H LEU 16 5.595 -31.114 18.886 127 HA LEU 16 HA LEU 16 3.664 -30.156 17.109 128 HB2 LEU 16 2HB LEU 16 5.820 -31.374 16.589 129 HB3 LEU 16 3HB LEU 16 5.002 -32.867 16.996 130 HG LEU 16 HG LEU 16 5.228 -32.276 14.518 131 HD11 LEU 16 1HD1 LEU 16 3.042 -33.174 13.939 132 HD12 LEU 16 2HD1 LEU 16 2.465 -32.860 15.576 133 HD13 LEU 16 3HD1 LEU 16 3.748 -34.040 15.303 134 HD21 LEU 16 3HD2 LEU 16 3.560 -30.761 13.587 135 HD22 LEU 16 1HD2 LEU 16 4.631 -29.914 14.701 136 HD23 LEU 16 2HD2 LEU 16 3.001 -30.356 15.210 137 H MET 17 H MET 17 3.656 -33.177 19.038 138 HA MET 17 HA MET 17 1.153 -34.115 18.171 139 HB2 MET 17 2HB MET 17 1.139 -35.540 20.138 140 HB3 MET 17 3HB MET 17 2.752 -35.504 19.442 141 HG2 MET 17 2HG MET 17 3.385 -33.828 21.169 142 HG3 MET 17 3HG MET 17 1.797 -34.052 21.901 143 HE1 MET 17 3HE MET 17 5.062 -37.307 21.661 144 HE2 MET 17 1HE MET 17 5.276 -35.642 21.116 145 HE3 MET 17 2HE MET 17 4.196 -36.729 20.239 146 H VAL 18 H VAL 18 1.978 -31.766 20.672 147 HA VAL 18 HA VAL 18 -0.680 -31.603 21.763 148 HB VAL 18 HB VAL 18 1.632 -29.675 22.081 149 HG11 VAL 18 1HG1 VAL 18 0.461 -28.949 24.133 150 HG12 VAL 18 2HG1 VAL 18 -0.897 -29.991 23.710 151 HG13 VAL 18 3HG1 VAL 18 -0.480 -28.624 22.676 152 HG21 VAL 18 3HG2 VAL 18 2.245 -31.903 22.835 153 HG22 VAL 18 1HG2 VAL 18 0.784 -31.998 23.818 154 HG23 VAL 18 2HG2 VAL 18 2.042 -30.827 24.217 155 H ARG 19 H ARG 19 1.037 -30.001 19.170 156 HA ARG 19 HA ARG 19 -0.984 -27.890 18.964 157 HB2 ARG 19 2HB ARG 19 1.557 -28.328 17.386 158 HB3 ARG 19 3HB ARG 19 0.487 -26.943 17.214 159 HG2 ARG 19 2HG ARG 19 1.997 -27.685 19.722 160 HG3 ARG 19 3HG ARG 19 2.470 -26.436 18.573 161 HD2 ARG 19 2HD ARG 19 1.389 -25.388 20.456 162 HD3 ARG 19 3HD ARG 19 0.330 -25.254 19.052 163 HE ARG 19 HE ARG 19 -0.241 -27.538 20.685 164 HH11 ARG 19 1HH1 ARG 19 -0.821 -24.163 20.341 165 HH12 ARG 19 2HH1 ARG 19 -2.338 -24.234 21.168 166 HH21 ARG 19 1HH2 ARG 19 -2.190 -27.625 21.692 167 HH22 ARG 19 2HH2 ARG 19 -3.112 -26.183 21.917 168 H THR 20 H THR 20 -0.375 -30.958 17.572 169 HA THR 20 HA THR 20 -2.138 -30.342 15.276 170 HB THR 20 HB THR 20 -1.378 -32.483 14.301 171 HG1 THR 20 HG1 THR 20 0.749 -32.737 16.059 172 HG21 THR 20 3HG2 THR 20 0.871 -30.628 15.112 173 HG22 THR 20 1HG2 THR 20 -0.182 -30.437 13.709 174 HG23 THR 20 2HG2 THR 20 0.934 -31.799 13.796 175 H GLY 21 H GLY 21 -1.896 -32.302 18.163 176 HA2 GLY 21 2HA GLY 21 -3.782 -33.269 19.248 177 HA3 GLY 21 3HA GLY 21 -4.625 -33.312 17.706 178 H LEU 22 H LEU 22 -1.587 -34.377 17.060 179 HA LEU 22 HA LEU 22 -2.388 -37.139 16.894 180 HB2 LEU 22 2HB LEU 22 0.080 -35.602 16.139 181 HB3 LEU 22 3HB LEU 22 0.120 -37.353 16.165 182 HG LEU 22 HG LEU 22 -1.629 -37.464 14.466 183 HD11 LEU 22 1HD1 LEU 22 -1.555 -34.444 14.485 184 HD12 LEU 22 2HD1 LEU 22 -2.883 -35.451 15.062 185 HD13 LEU 22 3HD1 LEU 22 -2.454 -35.454 13.352 186 HD21 LEU 22 3HD2 LEU 22 0.679 -37.367 13.719 187 HD22 LEU 22 1HD2 LEU 22 0.639 -35.603 13.728 188 HD23 LEU 22 2HD2 LEU 22 -0.360 -36.505 12.586 189 H GLY 23 H GLY 23 -0.573 -38.812 17.530 190 HA2 GLY 23 2HA GLY 23 0.235 -38.283 20.332 191 HA3 GLY 23 3HA GLY 23 -0.215 -39.867 19.717 192 H ALA 24 H ALA 24 2.130 -39.689 21.048 193 HA ALA 24 HA ALA 24 4.411 -38.923 19.604 194 HB1 ALA 24 3HB ALA 24 4.180 -41.090 21.694 195 HB2 ALA 24 1HB ALA 24 4.427 -39.373 22.012 196 HB3 ALA 24 2HB ALA 24 5.670 -40.302 21.173 197 H ARG 25 H ARG 25 2.792 -42.098 19.798 198 HA ARG 25 HA ARG 25 4.662 -43.497 18.194 199 HB2 ARG 25 2HB ARG 25 2.908 -44.530 19.700 200 HB3 ARG 25 3HB ARG 25 1.719 -44.142 18.463 201 HG2 ARG 25 2HG ARG 25 3.315 -45.485 16.889 202 HG3 ARG 25 3HG ARG 25 3.931 -46.160 18.399 203 HD2 ARG 25 2HD ARG 25 2.224 -47.625 17.594 204 HD3 ARG 25 3HD ARG 25 1.564 -46.764 18.986 205 HE ARG 25 HE ARG 25 1.016 -45.787 16.271 206 HH11 ARG 25 1HH1 ARG 25 -0.141 -47.113 19.230 207 HH12 ARG 25 2HH1 ARG 25 -1.796 -46.815 18.836 208 HH21 ARG 25 1HH2 ARG 25 -1.088 -45.427 15.769 209 HH22 ARG 25 2HH2 ARG 25 -2.331 -45.868 16.895 210 H GLN 26 H GLN 26 1.656 -41.793 17.402 211 HA GLN 26 HA GLN 26 1.538 -42.515 14.681 212 HB2 GLN 26 2HB GLN 26 -0.340 -41.540 15.996 213 HB3 GLN 26 3HB GLN 26 0.484 -39.986 15.971 214 HG2 GLN 26 2HG GLN 26 0.240 -39.797 13.616 215 HG3 GLN 26 3HG GLN 26 -0.320 -41.463 13.478 216 HE21 GLN 26 1HE2 GLN 26 -2.220 -40.798 12.453 217 HE22 GLN 26 2HE2 GLN 26 -3.509 -40.044 13.320 218 H ILE 27 H ILE 27 3.066 -39.723 16.296 219 HA ILE 27 HA ILE 27 3.956 -38.408 13.963 220 HB ILE 27 HB ILE 27 5.212 -38.416 16.717 221 HG12 ILE 27 2HG1 ILE 27 3.317 -36.453 15.391 222 HG13 ILE 27 3HG1 ILE 27 2.901 -37.568 16.689 223 HG21 ILE 27 1HG2 ILE 27 6.333 -36.328 16.017 224 HG22 ILE 27 2HG2 ILE 27 5.709 -36.557 14.383 225 HG23 ILE 27 3HG2 ILE 27 6.853 -37.716 15.060 226 HD11 ILE 27 3HD1 ILE 27 3.222 -35.312 17.519 227 HD12 ILE 27 1HD1 ILE 27 4.865 -35.293 16.879 228 HD13 ILE 27 2HD1 ILE 27 4.437 -36.405 18.181 229 H GLU 28 H GLU 28 5.788 -40.636 16.121 230 HA GLU 28 HA GLU 28 8.102 -40.745 14.535 231 HB2 GLU 28 2HB GLU 28 8.699 -42.763 15.774 232 HB3 GLU 28 3HB GLU 28 8.062 -41.531 16.854 233 HG2 GLU 28 2HG GLU 28 5.927 -42.674 16.949 234 HG3 GLU 28 3HG GLU 28 6.496 -43.878 15.798 235 H SER 29 H SER 29 5.079 -42.496 14.278 236 HA SER 29 HA SER 29 5.858 -44.444 12.395 237 HB2 SER 29 2HB SER 29 3.698 -44.552 13.548 238 HB3 SER 29 3HB SER 29 3.172 -43.079 12.735 239 HG SER 29 HG SER 29 4.052 -45.091 11.049 240 H TYR 30 H TYR 30 4.509 -41.162 11.892 241 HA TYR 30 HA TYR 30 4.764 -41.243 9.056 242 HB2 TYR 30 2HB TYR 30 4.588 -38.871 10.932 243 HB3 TYR 30 3HB TYR 30 4.483 -38.767 9.176 244 HD1 TYR 30 HD2 TYR 30 2.751 -40.971 8.433 245 HD2 TYR 30 HD1 TYR 30 2.477 -38.372 11.795 246 HE1 TYR 30 HE2 TYR 30 0.331 -41.388 8.552 247 HE2 TYR 30 HE1 TYR 30 0.057 -38.783 11.919 248 HH TYR 30 HH TYR 30 -1.481 -41.282 10.142 249 H ARG 31 H ARG 31 6.953 -40.357 11.651 250 HA ARG 31 HA ARG 31 9.040 -39.231 10.137 251 HB2 ARG 31 2HB ARG 31 9.023 -40.804 12.716 252 HB3 ARG 31 3HB ARG 31 10.520 -40.207 12.014 253 HG2 ARG 31 2HG ARG 31 9.773 -37.925 12.227 254 HG3 ARG 31 3HG ARG 31 8.179 -38.455 12.771 255 HD2 ARG 31 2HD ARG 31 9.807 -37.677 14.571 256 HD3 ARG 31 3HD ARG 31 9.026 -39.235 14.832 257 HE ARG 31 HE ARG 31 11.619 -39.343 13.552 258 HH11 ARG 31 1HH1 ARG 31 9.966 -39.332 16.581 259 HH12 ARG 31 2HH1 ARG 31 11.155 -40.323 17.354 260 HH21 ARG 31 1HH2 ARG 31 13.153 -40.577 14.561 261 HH22 ARG 31 2HH2 ARG 31 12.951 -41.013 16.222 262 H GLN 32 H GLN 32 7.989 -42.544 10.498 263 HA GLN 32 HA GLN 32 10.376 -43.772 9.517 264 HB2 GLN 32 2HB GLN 32 7.548 -44.836 9.692 265 HB3 GLN 32 3HB GLN 32 8.955 -45.805 9.283 266 HG2 GLN 32 2HG GLN 32 8.518 -44.357 11.888 267 HG3 GLN 32 3HG GLN 32 8.288 -46.083 11.619 268 HE21 GLN 32 1HE2 GLN 32 10.117 -47.394 11.337 269 HE22 GLN 32 2HE2 GLN 32 11.693 -46.863 11.802 270 H GLY 33 H GLY 33 7.461 -42.531 7.935 271 HA2 GLY 33 2HA GLY 33 8.742 -42.820 5.342 272 HA3 GLY 33 3HA GLY 33 7.363 -43.866 5.576 273 H ALA 34 H ALA 34 8.144 -40.450 6.126 274 HA ALA 34 HA ALA 34 6.332 -39.460 4.186 275 HB1 ALA 34 3HB ALA 34 4.636 -38.453 5.637 276 HB2 ALA 34 1HB ALA 34 5.379 -39.207 7.047 277 HB3 ALA 34 2HB ALA 34 4.635 -40.209 5.800 278 H TRP 35 H TRP 35 8.185 -38.963 7.105 279 HA TRP 35 HA TRP 35 8.456 -36.125 6.832 280 HB2 TRP 35 2HB TRP 35 9.653 -38.235 8.558 281 HB3 TRP 35 3HB TRP 35 10.555 -36.736 8.398 282 HD1 TRP 35 HD1 TRP 35 10.164 -36.086 10.913 283 HE1 TRP 35 HE1 TRP 35 8.146 -35.165 12.204 284 HE3 TRP 35 HE3 TRP 35 6.463 -37.038 7.486 285 HZ2 TRP 35 HZ2 TRP 35 5.379 -34.869 11.840 286 HZ3 TRP 35 HZ3 TRP 35 4.156 -36.390 8.051 287 HH2 TRP 35 HH2 TRP 35 3.628 -35.330 10.180 288 H ILE 36 H ILE 36 9.880 -34.944 5.719 289 HA ILE 36 HA ILE 36 12.130 -36.248 4.330 290 HB ILE 36 HB ILE 36 10.192 -34.272 3.088 291 HG12 ILE 36 2HG1 ILE 36 10.687 -37.192 2.432 292 HG13 ILE 36 3HG1 ILE 36 9.281 -36.569 3.289 293 HG21 ILE 36 1HG2 ILE 36 11.472 -34.575 1.019 294 HG22 ILE 36 2HG2 ILE 36 12.609 -35.617 1.874 295 HG23 ILE 36 3HG2 ILE 36 12.483 -33.912 2.304 296 HD11 ILE 36 3HD1 ILE 36 8.724 -37.011 0.993 297 HD12 ILE 36 1HD1 ILE 36 10.045 -35.985 0.435 298 HD13 ILE 36 2HD1 ILE 36 8.673 -35.274 1.286 299 H GLU 37 H GLU 37 14.025 -35.119 4.454 300 HA GLU 37 HA GLU 37 14.334 -32.878 6.101 301 HB2 GLU 37 2HB GLU 37 16.203 -33.768 3.887 302 HB3 GLU 37 3HB GLU 37 16.618 -32.704 5.222 303 HG2 GLU 37 2HG GLU 37 17.498 -34.704 5.929 304 HG3 GLU 37 3HG GLU 37 15.920 -34.726 6.713 305 H GLY 38 H GLY 38 14.560 -30.687 5.735 306 HA2 GLY 38 2HA GLY 38 14.555 -28.672 4.589 307 HA3 GLY 38 3HA GLY 38 14.558 -29.560 3.077 308 H VAL 39 H VAL 39 12.257 -31.031 3.234 309 HA VAL 39 HA VAL 39 10.279 -29.012 2.681 310 HB VAL 39 HB VAL 39 9.960 -32.020 2.646 311 HG11 VAL 39 1HG1 VAL 39 7.827 -30.820 2.712 312 HG12 VAL 39 2HG1 VAL 39 8.070 -31.595 1.147 313 HG13 VAL 39 3HG1 VAL 39 8.317 -29.857 1.316 314 HG21 VAL 39 3HG2 VAL 39 10.358 -31.853 0.216 315 HG22 VAL 39 1HG2 VAL 39 11.767 -31.370 1.161 316 HG23 VAL 39 2HG2 VAL 39 10.745 -30.142 0.412 317 H HIS 40 H HIS 40 10.244 -31.887 4.843 318 HA HIS 40 HA HIS 40 7.981 -30.682 6.282 319 HB2 HIS 40 2HB HIS 40 9.034 -33.518 6.289 320 HB3 HIS 40 3HB HIS 40 7.700 -32.959 7.294 321 HD1 HIS 40 HD1 HIS 40 7.589 -35.141 4.877 322 HD2 HIS 40 HD2 HIS 40 6.209 -31.219 4.826 323 HE1 HIS 40 HE1 HIS 40 5.854 -35.059 3.070 324 HE2 HIS 40 HE2 HIS 40 5.166 -32.643 2.942 325 H PHE 41 H PHE 41 11.307 -31.728 6.831 326 HA PHE 41 HA PHE 41 11.336 -30.207 9.309 327 HB2 PHE 41 2HB PHE 41 12.035 -31.952 10.758 328 HB3 PHE 41 3HB PHE 41 10.628 -32.576 9.908 329 HD1 PHE 41 HD1 PHE 41 10.977 -34.204 8.007 330 HD2 PHE 41 HD2 PHE 41 14.132 -33.039 10.626 331 HE1 PHE 41 HE1 PHE 41 12.289 -36.165 7.310 332 HE2 PHE 41 HE2 PHE 41 15.437 -35.001 9.927 333 HZ PHE 41 HZ PHE 41 14.518 -36.565 8.266 334 H LYS 42 H LYS 42 13.607 -30.145 10.265 335 HA LYS 42 HA LYS 42 15.768 -31.027 8.568 336 HB2 LYS 42 2HB LYS 42 16.762 -28.820 8.184 337 HB3 LYS 42 3HB LYS 42 15.176 -28.938 7.445 338 HG2 LYS 42 2HG LYS 42 15.046 -26.845 8.353 339 HG3 LYS 42 3HG LYS 42 14.381 -27.797 9.678 340 HD2 LYS 42 2HD LYS 42 15.969 -26.153 10.519 341 HD3 LYS 42 3HD LYS 42 16.589 -27.783 10.780 342 HE2 LYS 42 2HE LYS 42 17.997 -27.544 8.764 343 HE3 LYS 42 3HE LYS 42 17.391 -25.901 8.552 344 HZ1 LYS 42 3HZ LYS 42 18.326 -25.356 10.739 345 HZ2 LYS 42 1HZ LYS 42 19.510 -25.849 9.639 346 HZ3 LYS 42 2HZ LYS 42 18.982 -26.910 10.843 347 H ARG 43 H ARG 43 17.850 -30.878 9.587 348 HA ARG 43 HA ARG 43 17.644 -31.121 12.454 349 HB2 ARG 43 2HB ARG 43 20.082 -31.681 12.338 350 HB3 ARG 43 3HB ARG 43 19.049 -32.705 11.353 351 HG2 ARG 43 2HG ARG 43 19.687 -31.390 9.361 352 HG3 ARG 43 3HG ARG 43 20.776 -30.434 10.367 353 HD2 ARG 43 2HD ARG 43 21.899 -32.271 9.097 354 HD3 ARG 43 3HD ARG 43 22.133 -32.353 10.844 355 HE ARG 43 HE ARG 43 20.196 -34.026 10.728 356 HH11 ARG 43 1HH1 ARG 43 22.520 -33.654 8.205 357 HH12 ARG 43 2HH1 ARG 43 22.403 -35.308 7.721 358 HH21 ARG 43 1HH2 ARG 43 20.055 -36.122 10.088 359 HH22 ARG 43 2HH2 ARG 43 21.011 -36.688 8.765 360 H VAL 44 H VAL 44 18.186 -29.708 13.982 361 HA VAL 44 HA VAL 44 19.457 -27.162 13.179 362 HB VAL 44 HB VAL 44 17.556 -27.624 15.497 363 HG11 VAL 44 1HG1 VAL 44 18.663 -25.067 14.325 364 HG12 VAL 44 2HG1 VAL 44 19.058 -25.756 15.900 365 HG13 VAL 44 3HG1 VAL 44 17.428 -25.163 15.582 366 HG21 VAL 44 3HG2 VAL 44 16.387 -27.932 13.385 367 HG22 VAL 44 1HG2 VAL 44 17.014 -26.396 12.788 368 HG23 VAL 44 2HG2 VAL 44 15.886 -26.421 14.144 369 H SER 45 H SER 45 20.780 -26.116 14.839 370 HA SER 45 HA SER 45 22.832 -27.657 15.838 371 HB2 SER 45 2HB SER 45 21.878 -24.990 16.923 372 HB3 SER 45 3HB SER 45 23.475 -25.692 17.182 373 HG SER 45 HG SER 45 23.607 -24.247 15.487 374 HA PRO 46 HA PRO 46 21.041 -29.716 19.387 375 HB2 PRO 46 2HB PRO 46 23.405 -30.324 20.672 376 HB3 PRO 46 3HB PRO 46 22.724 -31.267 19.342 377 HG2 PRO 46 2HG PRO 46 24.864 -29.171 19.277 378 HG3 PRO 46 3HG PRO 46 24.793 -30.722 18.417 379 HD2 PRO 46 2HD PRO 46 24.227 -28.400 17.188 380 HD3 PRO 46 3HD PRO 46 23.347 -29.893 16.797 381 H SER 47 H SER 47 20.034 -28.456 20.841 382 HA SER 47 HA SER 47 21.354 -26.197 22.088 383 HB2 SER 47 2HB SER 47 18.552 -27.305 22.394 384 HB3 SER 47 3HB SER 47 19.127 -25.836 23.182 385 HG SER 47 HG SER 47 19.749 -25.508 20.680 386 H GLY 48 H GLY 48 21.753 -29.285 22.764 387 HA2 GLY 48 2HA GLY 48 22.399 -28.771 25.545 388 HA3 GLY 48 3HA GLY 48 21.138 -29.972 25.302 389 H GLU 49 H GLU 49 21.729 -32.035 24.880 390 HA GLU 49 HA GLU 49 24.467 -32.797 25.033 391 HB2 GLU 49 2HB GLU 49 21.988 -34.383 24.323 392 HB3 GLU 49 3HB GLU 49 23.582 -35.100 24.515 393 HG2 GLU 49 2HG GLU 49 22.101 -33.594 26.668 394 HG3 GLU 49 3HG GLU 49 22.138 -35.348 26.504 395 H LYS 50 H LYS 50 25.935 -32.877 23.468 396 HA LYS 50 HA LYS 50 25.232 -32.425 20.706 397 HB2 LYS 50 2HB LYS 50 27.838 -32.783 22.176 398 HB3 LYS 50 3HB LYS 50 27.790 -32.758 20.422 399 HG2 LYS 50 2HG LYS 50 28.381 -30.578 21.258 400 HG3 LYS 50 3HG LYS 50 26.795 -30.508 20.492 401 HD2 LYS 50 2HD LYS 50 26.775 -29.217 22.543 402 HD3 LYS 50 3HD LYS 50 25.737 -30.632 22.720 403 HE2 LYS 50 2HE LYS 50 27.555 -31.786 23.926 404 HE3 LYS 50 3HE LYS 50 28.552 -30.339 23.782 405 HZ1 LYS 50 3HZ LYS 50 25.919 -30.412 25.155 406 HZ2 LYS 50 1HZ LYS 50 27.018 -29.128 25.138 407 HZ3 LYS 50 2HZ LYS 50 27.400 -30.561 25.950 408 H THR 51 H THR 51 24.237 -34.138 19.762 409 HA THR 51 HA THR 51 25.664 -36.732 19.763 410 HB THR 51 HB THR 51 22.644 -36.503 19.731 411 HG1 THR 51 HG1 THR 51 22.642 -36.442 21.853 412 HG21 THR 51 3HG2 THR 51 22.751 -38.889 20.374 413 HG22 THR 51 1HG2 THR 51 24.513 -38.826 20.266 414 HG23 THR 51 2HG2 THR 51 23.529 -38.589 18.821 415 H LEU 52 H LEU 52 25.215 -38.078 17.850 416 HA LEU 52 HA LEU 52 25.563 -36.587 15.483 417 HB2 LEU 52 2HB LEU 52 24.978 -39.523 15.883 418 HB3 LEU 52 3HB LEU 52 25.375 -38.817 14.328 419 HG LEU 52 HG LEU 52 27.360 -39.829 15.163 420 HD11 LEU 52 1HD1 LEU 52 27.568 -36.863 15.659 421 HD12 LEU 52 2HD1 LEU 52 27.673 -37.660 14.088 422 HD13 LEU 52 3HD1 LEU 52 28.903 -37.965 15.313 423 HD21 LEU 52 3HD2 LEU 52 26.773 -40.038 17.508 424 HD22 LEU 52 1HD2 LEU 52 26.943 -38.297 17.732 425 HD23 LEU 52 2HD2 LEU 52 28.356 -39.278 17.340 426 H ARG 53 H ARG 53 22.653 -37.533 17.026 427 HA ARG 53 HA ARG 53 21.011 -37.504 14.651 428 HB2 ARG 53 2HB ARG 53 20.337 -37.479 17.597 429 HB3 ARG 53 3HB ARG 53 19.115 -37.468 16.332 430 HG2 ARG 53 2HG ARG 53 19.818 -39.625 15.549 431 HG3 ARG 53 3HG ARG 53 21.205 -39.622 16.642 432 HD2 ARG 53 2HD ARG 53 19.307 -41.026 17.429 433 HD3 ARG 53 3HD ARG 53 19.767 -39.758 18.563 434 HE ARG 53 HE ARG 53 17.809 -38.499 17.482 435 HH11 ARG 53 1HH1 ARG 53 17.903 -41.931 17.866 436 HH12 ARG 53 2HH1 ARG 53 16.191 -42.060 18.058 437 HH21 ARG 53 1HH2 ARG 53 15.606 -38.691 17.764 438 HH22 ARG 53 2HH2 ARG 53 14.919 -40.255 18.039 439 H GLY 54 H GLY 54 22.065 -35.170 17.030 440 HA2 GLY 54 2HA GLY 54 21.875 -32.878 17.094 441 HA3 GLY 54 3HA GLY 54 21.165 -32.941 15.489 442 H THR 55 H THR 55 19.985 -31.071 16.733 443 HA THR 55 HA THR 55 17.631 -32.129 18.154 444 HB THR 55 HB THR 55 18.544 -29.255 17.825 445 HG1 THR 55 HG1 THR 55 18.834 -31.190 19.877 446 HG21 THR 55 3HG2 THR 55 16.808 -28.718 19.485 447 HG22 THR 55 1HG2 THR 55 16.281 -30.401 19.483 448 HG23 THR 55 2HG2 THR 55 16.098 -29.418 18.030 449 H THR 56 H THR 56 15.884 -32.556 16.951 450 HA THR 56 HA THR 56 15.717 -31.464 14.237 451 HB THR 56 HB THR 56 14.046 -33.657 15.496 452 HG1 THR 56 HG1 THR 56 15.466 -35.069 14.421 453 HG21 THR 56 3HG2 THR 56 14.438 -32.847 12.605 454 HG22 THR 56 1HG2 THR 56 12.966 -32.638 13.555 455 HG23 THR 56 2HG2 THR 56 13.535 -34.259 13.155 456 H TRP 57 H TRP 57 14.366 -29.879 13.709 457 HA TRP 57 HA TRP 57 11.932 -29.440 15.331 458 HB2 TRP 57 2HB TRP 57 13.621 -27.475 13.766 459 HB3 TRP 57 3HB TRP 57 12.006 -27.088 14.352 460 HD1 TRP 57 HD1 TRP 57 15.418 -28.228 15.826 461 HE1 TRP 57 HE1 TRP 57 15.670 -27.164 18.152 462 HE3 TRP 57 HE3 TRP 57 10.873 -25.912 16.157 463 HZ2 TRP 57 HZ2 TRP 57 14.148 -25.555 19.902 464 HZ3 TRP 57 HZ3 TRP 57 10.347 -24.626 18.190 465 HH2 TRP 57 HH2 TRP 57 11.952 -24.452 20.024 466 H TYR 58 H TYR 58 9.958 -29.293 14.306 467 HA TYR 58 HA TYR 58 9.930 -30.214 11.501 468 HB2 TYR 58 2HB TYR 58 7.759 -30.516 13.596 469 HB3 TYR 58 3HB TYR 58 7.790 -31.256 11.998 470 HD1 TYR 58 HD2 TYR 58 9.771 -32.859 11.508 471 HD2 TYR 58 HD1 TYR 58 8.600 -31.707 15.437 472 HE1 TYR 58 HE2 TYR 58 10.947 -34.808 12.424 473 HE2 TYR 58 HE1 TYR 58 9.783 -33.658 16.362 474 HH TYR 58 HH TYR 58 11.952 -35.538 14.506 475 H ASN 59 H ASN 59 8.492 -29.325 10.000 476 HA ASN 59 HA ASN 59 7.622 -26.604 10.527 477 HB2 ASN 59 2HB ASN 59 7.546 -28.314 8.030 478 HB3 ASN 59 3HB ASN 59 6.920 -26.670 8.097 479 HD21 ASN 59 1HD2 ASN 59 9.754 -28.647 8.067 480 HD22 ASN 59 2HD2 ASN 59 10.888 -27.368 7.826 481 H TYR 60 H TYR 60 5.833 -26.537 11.786 482 HA TYR 60 HA TYR 60 3.713 -28.314 11.868 483 HB2 TYR 60 2HB TYR 60 4.005 -26.640 13.580 484 HB3 TYR 60 3HB TYR 60 3.707 -25.344 12.426 485 HD1 TYR 60 HD1 TYR 60 2.055 -28.335 13.950 486 HD2 TYR 60 HD2 TYR 60 1.539 -24.489 12.187 487 HE1 TYR 60 HE1 TYR 60 -0.339 -28.405 14.500 488 HE2 TYR 60 HE2 TYR 60 -0.855 -24.555 12.738 489 HH TYR 60 HH TYR 60 -2.192 -26.921 14.843 490 HA PRO 61 HA PRO 61 1.379 -25.460 8.527 491 HB2 PRO 61 2HB PRO 61 3.233 -24.722 6.561 492 HB3 PRO 61 3HB PRO 61 2.513 -23.642 7.759 493 HG2 PRO 61 2HG PRO 61 5.162 -25.037 7.807 494 HG3 PRO 61 3HG PRO 61 4.748 -23.395 8.334 495 HD2 PRO 61 2HD PRO 61 5.110 -25.340 10.117 496 HD3 PRO 61 3HD PRO 61 3.816 -24.142 10.342 497 H GLU 62 H GLU 62 4.350 -27.178 7.485 498 HA GLU 62 HA GLU 62 3.117 -28.472 5.279 499 HB2 GLU 62 2HB GLU 62 5.719 -28.710 6.700 500 HB3 GLU 62 3HB GLU 62 5.215 -30.085 5.731 501 HG2 GLU 62 2HG GLU 62 5.503 -27.253 4.736 502 HG3 GLU 62 3HG GLU 62 6.660 -28.560 4.482 503 H ILE 63 H ILE 63 3.657 -29.505 8.636 504 HA ILE 63 HA ILE 63 2.733 -32.166 8.249 505 HB ILE 63 HB ILE 63 2.847 -30.504 10.776 506 HG12 ILE 63 2HG1 ILE 63 4.719 -32.608 9.642 507 HG13 ILE 63 3HG1 ILE 63 5.033 -30.878 9.713 508 HG21 ILE 63 1HG2 ILE 63 2.399 -33.478 10.445 509 HG22 ILE 63 2HG2 ILE 63 1.234 -32.305 11.060 510 HG23 ILE 63 3HG2 ILE 63 2.695 -32.659 11.979 511 HD11 ILE 63 3HD1 ILE 63 6.229 -32.061 11.447 512 HD12 ILE 63 1HD1 ILE 63 4.718 -32.716 12.075 513 HD13 ILE 63 2HD1 ILE 63 5.027 -30.980 12.148 514 H ASN 64 H ASN 64 1.109 -29.208 9.383 515 HA ASN 64 HA ASN 64 -1.479 -30.252 9.699 516 HB2 ASN 64 2HB ASN 64 -0.799 -27.993 10.466 517 HB3 ASN 64 3HB ASN 64 -0.685 -27.466 8.790 518 HD21 ASN 64 1HD2 ASN 64 -2.251 -25.893 8.992 519 HD22 ASN 64 2HD2 ASN 64 -3.921 -26.258 9.230 520 H LYS 65 H LYS 65 0.157 -28.897 6.870 521 HA LYS 65 HA LYS 65 -1.888 -29.132 4.977 522 HB2 LYS 65 2HB LYS 65 -0.033 -27.864 4.350 523 HB3 LYS 65 3HB LYS 65 1.110 -29.077 4.880 524 HG2 LYS 65 2HG LYS 65 -0.633 -29.680 2.529 525 HG3 LYS 65 3HG LYS 65 0.733 -28.579 2.336 526 HD2 LYS 65 2HD LYS 65 2.098 -30.460 3.513 527 HD3 LYS 65 3HD LYS 65 0.744 -31.497 3.065 528 HE2 LYS 65 2HE LYS 65 2.439 -31.661 1.367 529 HE3 LYS 65 3HE LYS 65 1.063 -30.784 0.696 530 HZ1 LYS 65 3HZ LYS 65 2.246 -28.710 1.105 531 HZ2 LYS 65 1HZ LYS 65 3.155 -29.731 0.112 532 HZ3 LYS 65 2HZ LYS 65 3.561 -29.555 1.745 533 H PHE 66 H PHE 66 0.570 -31.499 5.968 534 HA PHE 66 HA PHE 66 -0.134 -33.562 4.178 535 HB2 PHE 66 2HB PHE 66 1.989 -33.547 5.377 536 HB3 PHE 66 3HB PHE 66 1.154 -33.709 6.916 537 HD1 PHE 66 HD2 PHE 66 1.832 -35.451 3.706 538 HD2 PHE 66 HD1 PHE 66 0.632 -35.835 7.780 539 HE1 PHE 66 HE2 PHE 66 2.003 -37.901 3.524 540 HE2 PHE 66 HE1 PHE 66 0.809 -38.282 7.603 541 HZ PHE 66 HZ PHE 66 1.493 -39.319 5.473 542 H ILE 67 H ILE 67 -1.146 -32.962 7.536 543 HA ILE 67 HA ILE 67 -2.855 -35.220 7.749 544 HB ILE 67 HB ILE 67 -2.923 -32.627 9.311 545 HG12 ILE 67 2HG1 ILE 67 -1.592 -35.258 10.018 546 HG13 ILE 67 3HG1 ILE 67 -0.741 -33.860 9.371 547 HG21 ILE 67 1HG2 ILE 67 -4.122 -35.327 9.967 548 HG22 ILE 67 2HG2 ILE 67 -5.013 -33.864 9.546 549 HG23 ILE 67 3HG2 ILE 67 -4.090 -33.931 11.047 550 HD11 ILE 67 3HD1 ILE 67 -1.377 -32.563 11.340 551 HD12 ILE 67 1HD1 ILE 67 -0.483 -34.019 11.779 552 HD13 ILE 67 2HD1 ILE 67 -2.233 -33.964 11.982 553 H ARG 68 H ARG 68 -3.499 -31.800 7.020 554 HA ARG 68 HA ARG 68 -6.306 -31.943 6.986 555 HB2 ARG 68 2HB ARG 68 -4.603 -29.902 6.943 556 HB3 ARG 68 3HB ARG 68 -4.869 -30.003 5.210 557 HG2 ARG 68 2HG ARG 68 -6.344 -28.361 6.248 558 HG3 ARG 68 3HG ARG 68 -7.267 -29.691 5.544 559 HD2 ARG 68 2HD ARG 68 -8.038 -28.947 7.819 560 HD3 ARG 68 3HD ARG 68 -7.659 -30.665 7.684 561 HE ARG 68 HE ARG 68 -5.486 -29.009 8.645 562 HH11 ARG 68 1HH1 ARG 68 -8.194 -30.959 9.515 563 HH12 ARG 68 2HH1 ARG 68 -7.613 -31.227 11.122 564 HH21 ARG 68 1HH2 ARG 68 -4.759 -29.389 10.714 565 HH22 ARG 68 2HH2 ARG 68 -5.698 -30.379 11.776 566 H ASP 69 H ASP 69 -3.904 -32.520 4.487 567 HA ASP 69 HA ASP 69 -5.539 -32.665 2.227 568 HB2 ASP 69 2HB ASP 69 -3.061 -32.656 2.202 569 HB3 ASP 69 3HB ASP 69 -3.060 -34.298 2.839 570 H SER 70 H SER 70 -5.076 -34.947 4.825 571 HA SER 70 HA SER 70 -6.284 -37.205 3.542 572 HB2 SER 70 2HB SER 70 -4.769 -37.467 5.466 573 HB3 SER 70 3HB SER 70 -5.913 -36.608 6.495 574 HG SER 70 HG SER 70 -6.322 -38.726 6.840 575 H LEU 71 H LEU 71 -7.518 -34.408 5.175 576 HA LEU 71 HA LEU 71 -10.160 -35.535 5.611 577 HB2 LEU 71 2HB LEU 71 -8.973 -32.807 6.112 578 HB3 LEU 71 3HB LEU 71 -10.686 -33.122 6.306 579 HG LEU 71 HG LEU 71 -9.614 -33.204 8.462 580 HD11 LEU 71 1HD1 LEU 71 -10.273 -35.426 9.216 581 HD12 LEU 71 2HD1 LEU 71 -10.312 -35.994 7.546 582 HD13 LEU 71 3HD1 LEU 71 -11.453 -34.762 8.088 583 HD21 LEU 71 3HD2 LEU 71 -7.878 -34.849 9.009 584 HD22 LEU 71 1HD2 LEU 71 -7.334 -33.703 7.784 585 HD23 LEU 71 2HD2 LEU 71 -7.809 -35.337 7.315 586 H GLU 72 H GLU 72 -8.642 -33.211 3.407 587 HA GLU 72 HA GLU 72 -9.328 -32.199 1.485 588 HB2 GLU 72 2HB GLU 72 -11.116 -34.638 1.358 589 HB3 GLU 72 3HB GLU 72 -10.919 -33.496 0.034 590 HG2 GLU 72 2HG GLU 72 -8.502 -34.024 -0.006 591 HG3 GLU 72 3HG GLU 72 -8.774 -35.236 1.246 592 H HIS 73 H HIS 73 -10.958 -31.710 4.064 593 HA HIS 73 HA HIS 73 -13.611 -31.098 3.016 594 HB2 HIS 73 2HB HIS 73 -12.419 -31.171 5.769 595 HB3 HIS 73 3HB HIS 73 -13.924 -30.301 5.491 596 HD1 HIS 73 HD1 HIS 73 -12.493 -33.804 5.296 597 HD2 HIS 73 HD2 HIS 73 -16.167 -31.869 5.269 598 HE1 HIS 73 HE1 HIS 73 -14.209 -35.621 5.475 599 HE2 HIS 73 HE2 HIS 73 -16.417 -34.442 5.280 600 H HIS 74 H HIS 74 -13.684 -29.343 1.818 601 HA HIS 74 HA HIS 74 -13.229 -27.247 1.011 602 HB2 HIS 74 2HB HIS 74 -14.402 -25.537 2.534 603 HB3 HIS 74 3HB HIS 74 -15.334 -26.878 1.887 604 HD1 HIS 74 HD1 HIS 74 -16.784 -27.984 3.554 605 HD2 HIS 74 HD2 HIS 74 -13.490 -26.194 5.350 606 HE1 HIS 74 HE1 HIS 74 -17.102 -28.306 6.020 607 HE2 HIS 74 HE2 HIS 74 -15.198 -27.060 7.081 608 H HIS 75 H HIS 75 -11.006 -27.016 0.911 609 HA HIS 75 HA HIS 75 -9.437 -25.892 3.000 610 HB2 HIS 75 2HB HIS 75 -8.370 -27.097 1.175 611 HB3 HIS 75 3HB HIS 75 -9.022 -25.969 -0.007 612 HD1 HIS 75 HD1 HIS 75 -6.240 -26.417 2.426 613 HD2 HIS 75 HD2 HIS 75 -7.671 -23.464 -0.127 614 HE1 HIS 75 HE1 HIS 75 -4.408 -24.711 2.275 615 HE2 HIS 75 HE2 HIS 75 -5.227 -23.028 0.598 616 H HIS 76 H HIS 76 -10.273 -24.027 3.867 617 HA HIS 76 HA HIS 76 -11.032 -21.831 2.084 618 HB2 HIS 76 2HB HIS 76 -11.841 -20.715 4.161 619 HB3 HIS 76 3HB HIS 76 -12.601 -22.269 3.856 620 HD1 HIS 76 HD1 HIS 76 -12.553 -23.924 5.719 621 HD2 HIS 76 HD2 HIS 76 -9.847 -20.822 6.313 622 HE1 HIS 76 HE1 HIS 76 -11.632 -24.263 8.031 623 HE2 HIS 76 HE2 HIS 76 -10.141 -22.280 8.432 624 H HIS 77 H HIS 77 -9.869 -20.022 1.779 625 HA HIS 77 HA HIS 77 -8.005 -18.906 3.561 626 HB2 HIS 77 2HB HIS 77 -6.633 -20.871 3.054 627 HB3 HIS 77 3HB HIS 77 -6.753 -20.538 1.330 628 HD1 HIS 77 HD1 HIS 77 -5.264 -18.654 0.385 629 HD2 HIS 77 HD2 HIS 77 -4.836 -19.244 4.474 630 HE1 HIS 77 HE1 HIS 77 -3.207 -17.378 1.035 631 HE2 HIS 77 HE2 HIS 77 -2.857 -17.930 3.458 632 H HIS 78 H HIS 78 -8.276 -16.825 3.053 633 HA HIS 78 HA HIS 78 -8.541 -16.062 0.223 634 HB2 HIS 78 2HB HIS 78 -9.331 -13.838 1.174 635 HB3 HIS 78 3HB HIS 78 -10.380 -15.221 1.455 636 HD1 HIS 78 HD1 HIS 78 -8.078 -12.852 3.251 637 HD2 HIS 78 HD2 HIS 78 -10.725 -15.931 4.130 638 HE1 HIS 78 HE1 HIS 78 -8.436 -12.746 5.735 639 HE2 HIS 78 HE2 HIS 78 -10.182 -14.487 6.204 Start of MODEL 12 1 H1 MET 1 1H MET 1 1.132 -4.093 2.819 2 H2 MET 1 2H MET 1 0.284 -4.986 1.658 3 H3 MET 1 3H MET 1 -0.116 -3.371 1.937 4 HA MET 1 HA MET 1 1.133 -3.604 -0.105 5 HB2 MET 1 2HB MET 1 2.595 -2.217 2.151 6 HB3 MET 1 3HB MET 1 2.957 -1.970 0.449 7 HG2 MET 1 2HG MET 1 0.665 -1.124 0.109 8 HG3 MET 1 3HG MET 1 0.354 -1.332 1.832 9 HE1 MET 1 3HE MET 1 2.408 0.652 -0.884 10 HE2 MET 1 1HE MET 1 3.669 -0.107 0.088 11 HE3 MET 1 2HE MET 1 3.456 1.642 0.130 12 H ALA 2 H ALA 2 3.253 -4.407 2.692 13 HA ALA 2 HA ALA 2 5.247 -5.513 0.906 14 HB1 ALA 2 3HB ALA 2 6.578 -5.856 2.919 15 HB2 ALA 2 1HB ALA 2 5.191 -5.420 3.921 16 HB3 ALA 2 2HB ALA 2 5.926 -4.218 2.860 17 H GLN 3 H GLN 3 3.601 -6.895 3.773 18 HA GLN 3 HA GLN 3 3.115 -9.020 4.392 19 HB2 GLN 3 2HB GLN 3 2.842 -9.466 1.410 20 HB3 GLN 3 3HB GLN 3 2.291 -10.585 2.650 21 HG2 GLN 3 2HG GLN 3 0.772 -8.808 3.499 22 HG3 GLN 3 3HG GLN 3 1.259 -7.799 2.137 23 HE21 GLN 3 1HE2 GLN 3 0.800 -11.273 1.959 24 HE22 GLN 3 2HE2 GLN 3 -0.591 -11.215 0.942 25 H ILE 4 H ILE 4 5.676 -8.657 4.691 26 HA ILE 4 HA ILE 4 7.233 -10.685 3.311 27 HB ILE 4 HB ILE 4 8.023 -8.983 5.692 28 HG12 ILE 4 2HG1 ILE 4 7.426 -7.570 3.774 29 HG13 ILE 4 3HG1 ILE 4 9.162 -7.526 4.052 30 HG21 ILE 4 1HG2 ILE 4 9.435 -10.946 5.452 31 HG22 ILE 4 2HG2 ILE 4 10.335 -9.499 4.996 32 HG23 ILE 4 3HG2 ILE 4 9.706 -10.573 3.747 33 HD11 ILE 4 3HD1 ILE 4 7.755 -9.142 1.937 34 HD12 ILE 4 1HD1 ILE 4 9.498 -9.094 2.211 35 HD13 ILE 4 2HD1 ILE 4 8.646 -7.641 1.683 36 H ILE 5 H ILE 5 6.186 -12.609 3.856 37 HA ILE 5 HA ILE 5 5.255 -13.175 6.485 38 HB ILE 5 HB ILE 5 5.576 -15.075 4.153 39 HG12 ILE 5 2HG1 ILE 5 4.142 -13.166 3.583 40 HG13 ILE 5 3HG1 ILE 5 3.185 -14.636 3.729 41 HG21 ILE 5 1HG2 ILE 5 5.348 -16.253 6.278 42 HG22 ILE 5 2HG2 ILE 5 3.895 -16.443 5.300 43 HG23 ILE 5 3HG2 ILE 5 3.902 -15.319 6.659 44 HD11 ILE 5 3HD1 ILE 5 2.026 -12.773 4.720 45 HD12 ILE 5 1HD1 ILE 5 3.403 -12.427 5.765 46 HD13 ILE 5 2HD1 ILE 5 2.485 -13.920 5.978 47 H PHE 6 H PHE 6 6.764 -13.349 8.050 48 HA PHE 6 HA PHE 6 8.381 -15.805 7.932 49 HB2 PHE 6 2HB PHE 6 9.300 -13.110 8.949 50 HB3 PHE 6 3HB PHE 6 10.073 -14.612 9.443 51 HD1 PHE 6 HD2 PHE 6 10.698 -16.205 7.388 52 HD2 PHE 6 HD1 PHE 6 10.257 -11.971 7.168 53 HE1 PHE 6 HE2 PHE 6 12.109 -16.161 5.373 54 HE2 PHE 6 HE1 PHE 6 11.665 -11.928 5.154 55 HZ PHE 6 HZ PHE 6 12.595 -14.023 4.256 56 H ASN 7 H ASN 7 7.413 -17.138 9.291 57 HA ASN 7 HA ASN 7 6.844 -16.354 12.030 58 HB2 ASN 7 2HB ASN 7 4.815 -15.674 10.675 59 HB3 ASN 7 3HB ASN 7 4.583 -17.373 10.282 60 HD21 ASN 7 1HD2 ASN 7 5.698 -16.223 13.406 61 HD22 ASN 7 2HD2 ASN 7 4.276 -16.673 14.270 62 H GLU 8 H GLU 8 8.708 -18.098 11.114 63 HA GLU 8 HA GLU 8 7.747 -20.791 10.914 64 HB2 GLU 8 2HB GLU 8 10.525 -19.634 11.167 65 HB3 GLU 8 3HB GLU 8 10.213 -21.357 11.019 66 HG2 GLU 8 2HG GLU 8 10.835 -20.337 8.879 67 HG3 GLU 8 3HG GLU 8 9.221 -21.042 8.838 68 H GLU 9 H GLU 9 6.658 -21.355 12.726 69 HA GLU 9 HA GLU 9 7.720 -21.116 15.371 70 HB2 GLU 9 2HB GLU 9 5.432 -22.754 14.263 71 HB3 GLU 9 3HB GLU 9 5.793 -22.592 15.975 72 HG2 GLU 9 2HG GLU 9 5.165 -20.254 14.182 73 HG3 GLU 9 3HG GLU 9 3.949 -21.129 15.111 74 H TRP 10 H TRP 10 9.345 -22.306 16.142 75 HA TRP 10 HA TRP 10 9.843 -25.004 15.071 76 HB2 TRP 10 2HB TRP 10 11.575 -23.386 16.960 77 HB3 TRP 10 3HB TRP 10 12.036 -24.840 16.080 78 HD1 TRP 10 HD1 TRP 10 12.127 -21.141 15.830 79 HE1 TRP 10 HE1 TRP 10 12.939 -20.414 13.500 80 HE3 TRP 10 HE3 TRP 10 11.790 -25.634 13.416 81 HZ2 TRP 10 HZ2 TRP 10 13.375 -21.583 10.977 82 HZ3 TRP 10 HZ3 TRP 10 12.424 -25.743 11.042 83 HH2 TRP 10 HH2 TRP 10 13.200 -23.761 9.847 84 H MET 11 H MET 11 9.209 -26.764 16.220 85 HA MET 11 HA MET 11 9.277 -26.794 19.108 86 HB2 MET 11 2HB MET 11 6.856 -27.298 19.385 87 HB3 MET 11 3HB MET 11 7.172 -25.658 18.840 88 HG2 MET 11 2HG MET 11 6.667 -26.409 16.514 89 HG3 MET 11 3HG MET 11 6.186 -27.967 17.183 90 HE1 MET 11 3HE MET 11 4.047 -23.988 18.139 91 HE2 MET 11 1HE MET 11 5.468 -24.122 17.105 92 HE3 MET 11 2HE MET 11 5.610 -24.421 18.836 93 H VAL 12 H VAL 12 8.856 -28.889 20.041 94 HA VAL 12 HA VAL 12 9.547 -31.087 18.289 95 HB VAL 12 HB VAL 12 9.677 -32.456 20.286 96 HG11 VAL 12 1HG1 VAL 12 10.874 -29.719 20.748 97 HG12 VAL 12 2HG1 VAL 12 11.589 -31.031 19.810 98 HG13 VAL 12 3HG1 VAL 12 11.377 -31.208 21.551 99 HG21 VAL 12 3HG2 VAL 12 7.693 -31.612 21.448 100 HG22 VAL 12 1HG2 VAL 12 8.524 -30.092 21.781 101 HG23 VAL 12 2HG2 VAL 12 9.102 -31.592 22.507 102 H GLU 13 H GLU 13 8.283 -33.279 18.908 103 HA GLU 13 HA GLU 13 5.866 -33.093 17.536 104 HB2 GLU 13 2HB GLU 13 7.169 -35.154 17.637 105 HB3 GLU 13 3HB GLU 13 6.823 -35.314 19.354 106 HG2 GLU 13 2HG GLU 13 4.480 -35.678 18.903 107 HG3 GLU 13 3HG GLU 13 4.721 -35.351 17.188 108 H LYS 14 H LYS 14 6.341 -33.446 21.072 109 HA LYS 14 HA LYS 14 3.616 -33.655 21.739 110 HB2 LYS 14 2HB LYS 14 5.650 -34.130 23.215 111 HB3 LYS 14 3HB LYS 14 5.706 -32.401 23.523 112 HG2 LYS 14 2HG LYS 14 3.155 -33.886 24.011 113 HG3 LYS 14 3HG LYS 14 4.470 -34.018 25.177 114 HD2 LYS 14 2HD LYS 14 3.321 -31.387 24.237 115 HD3 LYS 14 3HD LYS 14 2.767 -32.232 25.683 116 HE2 LYS 14 2HE LYS 14 5.081 -32.128 26.571 117 HE3 LYS 14 3HE LYS 14 5.555 -31.189 25.158 118 HZ1 LYS 14 3HZ LYS 14 3.989 -29.468 25.823 119 HZ2 LYS 14 1HZ LYS 14 5.100 -29.775 27.062 120 HZ3 LYS 14 2HZ LYS 14 3.525 -30.378 27.170 121 H ALA 15 H ALA 15 5.676 -30.775 21.408 122 HA ALA 15 HA ALA 15 3.602 -28.934 22.141 123 HB1 ALA 15 3HB ALA 15 5.144 -27.205 21.326 124 HB2 ALA 15 1HB ALA 15 6.191 -28.460 20.659 125 HB3 ALA 15 2HB ALA 15 5.950 -28.344 22.403 126 H LEU 16 H LEU 16 4.724 -30.369 19.165 127 HA LEU 16 HA LEU 16 3.493 -28.585 17.340 128 HB2 LEU 16 2HB LEU 16 5.417 -30.134 16.890 129 HB3 LEU 16 3HB LEU 16 4.293 -31.474 16.915 130 HG LEU 16 HG LEU 16 5.040 -30.612 14.638 131 HD11 LEU 16 1HD1 LEU 16 3.133 -32.117 14.899 132 HD12 LEU 16 2HD1 LEU 16 2.865 -30.952 13.603 133 HD13 LEU 16 3HD1 LEU 16 2.070 -30.732 15.160 134 HD21 LEU 16 3HD2 LEU 16 4.866 -28.220 15.112 135 HD22 LEU 16 1HD2 LEU 16 3.119 -28.378 15.303 136 HD23 LEU 16 2HD2 LEU 16 3.867 -28.676 13.734 137 H MET 17 H MET 17 2.502 -31.787 18.578 138 HA MET 17 HA MET 17 0.161 -32.105 17.100 139 HB2 MET 17 2HB MET 17 -0.543 -33.695 18.832 140 HB3 MET 17 3HB MET 17 1.152 -33.907 18.419 141 HG2 MET 17 2HG MET 17 1.805 -32.706 20.438 142 HG3 MET 17 3HG MET 17 0.108 -32.460 20.850 143 HE1 MET 17 3HE MET 17 1.781 -35.681 19.288 144 HE2 MET 17 1HE MET 17 2.165 -36.597 20.746 145 HE3 MET 17 2HE MET 17 3.002 -35.080 20.412 146 H VAL 18 H VAL 18 0.707 -30.240 20.022 147 HA VAL 18 HA VAL 18 -2.043 -29.728 20.611 148 HB VAL 18 HB VAL 18 0.392 -28.132 21.465 149 HG11 VAL 18 1HG1 VAL 18 -2.366 -28.322 22.687 150 HG12 VAL 18 2HG1 VAL 18 -1.710 -26.936 21.816 151 HG13 VAL 18 3HG1 VAL 18 -1.001 -27.426 23.354 152 HG21 VAL 18 3HG2 VAL 18 0.638 -30.495 22.071 153 HG22 VAL 18 1HG2 VAL 18 -0.948 -30.468 22.846 154 HG23 VAL 18 2HG2 VAL 18 0.372 -29.502 23.503 155 H ARG 19 H ARG 19 0.395 -28.115 18.645 156 HA ARG 19 HA ARG 19 -1.250 -25.749 18.237 157 HB2 ARG 19 2HB ARG 19 1.431 -26.536 17.070 158 HB3 ARG 19 3HB ARG 19 0.635 -24.991 16.799 159 HG2 ARG 19 2HG ARG 19 1.531 -26.049 19.480 160 HG3 ARG 19 3HG ARG 19 2.385 -24.849 18.508 161 HD2 ARG 19 2HD ARG 19 -0.395 -24.540 19.648 162 HD3 ARG 19 3HD ARG 19 1.072 -23.806 20.299 163 HE ARG 19 HE ARG 19 1.081 -22.881 17.793 164 HH11 ARG 19 1HH1 ARG 19 -1.408 -22.955 20.177 165 HH12 ARG 19 2HH1 ARG 19 -2.216 -21.578 19.516 166 HH21 ARG 19 1HH2 ARG 19 0.044 -21.097 16.998 167 HH22 ARG 19 2HH2 ARG 19 -1.401 -20.537 17.760 168 H THR 20 H THR 20 -0.907 -28.791 16.730 169 HA THR 20 HA THR 20 -1.973 -27.783 14.162 170 HB THR 20 HB THR 20 -1.321 -30.011 13.238 171 HG1 THR 20 HG1 THR 20 0.338 -30.497 15.430 172 HG21 THR 20 3HG2 THR 20 0.942 -28.497 14.554 173 HG22 THR 20 1HG2 THR 20 0.176 -28.064 13.023 174 HG23 THR 20 2HG2 THR 20 1.078 -29.574 13.165 175 H GLY 21 H GLY 21 -2.712 -29.890 16.852 176 HA2 GLY 21 2HA GLY 21 -4.839 -30.715 17.412 177 HA3 GLY 21 3HA GLY 21 -5.400 -30.335 15.792 178 H LEU 22 H LEU 22 -2.456 -31.954 15.666 179 HA LEU 22 HA LEU 22 -3.732 -34.481 14.937 180 HB2 LEU 22 2HB LEU 22 -0.952 -33.375 14.584 181 HB3 LEU 22 3HB LEU 22 -1.278 -35.081 14.348 182 HG LEU 22 HG LEU 22 -2.902 -34.507 12.561 183 HD11 LEU 22 1HD1 LEU 22 -1.906 -31.683 12.915 184 HD12 LEU 22 2HD1 LEU 22 -3.519 -32.263 13.325 185 HD13 LEU 22 3HD1 LEU 22 -2.985 -32.259 11.645 186 HD21 LEU 22 3HD2 LEU 22 -0.614 -35.076 11.983 187 HD22 LEU 22 1HD2 LEU 22 -0.117 -33.396 12.193 188 HD23 LEU 22 2HD2 LEU 22 -1.223 -33.833 10.890 189 H GLY 23 H GLY 23 -2.820 -36.531 15.719 190 HA2 GLY 23 2HA GLY 23 -1.859 -36.353 18.506 191 HA3 GLY 23 3HA GLY 23 -2.661 -37.745 17.790 192 H ALA 24 H ALA 24 -0.248 -37.988 19.196 193 HA ALA 24 HA ALA 24 2.116 -37.905 17.767 194 HB1 ALA 24 3HB ALA 24 1.262 -40.041 19.728 195 HB2 ALA 24 1HB ALA 24 1.996 -38.491 20.138 196 HB3 ALA 24 2HB ALA 24 2.922 -39.694 19.239 197 H ARG 25 H ARG 25 -0.355 -40.459 17.725 198 HA ARG 25 HA ARG 25 0.899 -42.310 16.058 199 HB2 ARG 25 2HB ARG 25 -2.035 -41.617 16.314 200 HB3 ARG 25 3HB ARG 25 -1.433 -43.019 15.439 201 HG2 ARG 25 2HG ARG 25 -0.495 -43.939 17.471 202 HG3 ARG 25 3HG ARG 25 -0.957 -42.494 18.372 203 HD2 ARG 25 2HD ARG 25 -2.893 -44.363 16.999 204 HD3 ARG 25 3HD ARG 25 -2.490 -44.413 18.716 205 HE ARG 25 HE ARG 25 -3.417 -41.841 17.861 206 HH11 ARG 25 1HH1 ARG 25 -4.422 -44.966 18.925 207 HH12 ARG 25 2HH1 ARG 25 -5.956 -44.391 19.479 208 HH21 ARG 25 1HH2 ARG 25 -5.373 -41.125 18.606 209 HH22 ARG 25 2HH2 ARG 25 -6.481 -42.246 19.320 210 H GLN 26 H GLN 26 -0.899 -39.390 15.188 211 HA GLN 26 HA GLN 26 -0.868 -39.882 12.362 212 HB2 GLN 26 2HB GLN 26 -1.350 -37.343 13.940 213 HB3 GLN 26 3HB GLN 26 -1.558 -37.483 12.199 214 HG2 GLN 26 2HG GLN 26 -3.334 -39.102 12.501 215 HG3 GLN 26 3HG GLN 26 -3.087 -39.089 14.248 216 HE21 GLN 26 1HE2 GLN 26 -4.286 -37.288 11.514 217 HE22 GLN 26 2HE2 GLN 26 -5.169 -36.115 12.426 218 H ILE 27 H ILE 27 1.071 -37.847 14.551 219 HA ILE 27 HA ILE 27 2.604 -36.612 12.521 220 HB ILE 27 HB ILE 27 3.362 -37.031 15.423 221 HG12 ILE 27 2HG1 ILE 27 1.927 -34.714 14.074 222 HG13 ILE 27 3HG1 ILE 27 1.182 -35.890 15.153 223 HG21 ILE 27 1HG2 ILE 27 4.378 -35.033 13.385 224 HG22 ILE 27 2HG2 ILE 27 5.280 -36.400 14.040 225 HG23 ILE 27 3HG2 ILE 27 4.815 -35.066 15.095 226 HD11 ILE 27 3HD1 ILE 27 1.622 -33.790 16.284 227 HD12 ILE 27 1HD1 ILE 27 3.337 -33.925 15.901 228 HD13 ILE 27 2HD1 ILE 27 2.580 -35.093 16.985 229 H GLU 28 H GLU 28 3.376 -39.417 14.628 230 HA GLU 28 HA GLU 28 5.893 -39.983 13.533 231 HB2 GLU 28 2HB GLU 28 5.647 -42.240 14.430 232 HB3 GLU 28 3HB GLU 28 5.089 -41.046 15.595 233 HG2 GLU 28 2HG GLU 28 2.777 -41.537 15.024 234 HG3 GLU 28 3HG GLU 28 3.308 -42.684 13.795 235 H SER 29 H SER 29 2.661 -40.947 12.461 236 HA SER 29 HA SER 29 3.338 -42.721 10.415 237 HB2 SER 29 2HB SER 29 1.018 -42.374 11.120 238 HB3 SER 29 3HB SER 29 1.053 -40.725 10.500 239 HG SER 29 HG SER 29 0.219 -41.740 8.820 240 H TYR 30 H TYR 30 3.185 -39.184 10.398 241 HA TYR 30 HA TYR 30 3.975 -38.998 7.631 242 HB2 TYR 30 2HB TYR 30 3.721 -36.887 9.782 243 HB3 TYR 30 3HB TYR 30 4.093 -36.547 8.094 244 HD1 TYR 30 HD2 TYR 30 2.339 -38.146 6.543 245 HD2 TYR 30 HD1 TYR 30 1.530 -36.236 10.265 246 HE1 TYR 30 HE2 TYR 30 -0.058 -38.122 6.004 247 HE2 TYR 30 HE1 TYR 30 -0.871 -36.209 9.735 248 HH TYR 30 HH TYR 30 -2.309 -36.276 7.659 249 H ARG 31 H ARG 31 5.617 -39.005 10.726 250 HA ARG 31 HA ARG 31 8.124 -38.043 9.807 251 HB2 ARG 31 2HB ARG 31 7.352 -39.773 12.162 252 HB3 ARG 31 3HB ARG 31 9.029 -39.362 11.826 253 HG2 ARG 31 2HG ARG 31 8.317 -36.931 11.896 254 HG3 ARG 31 3HG ARG 31 6.775 -37.496 12.539 255 HD2 ARG 31 2HD ARG 31 9.370 -38.310 13.820 256 HD3 ARG 31 3HD ARG 31 8.640 -36.749 14.180 257 HE ARG 31 HE ARG 31 6.695 -37.971 15.025 258 HH11 ARG 31 1HH1 ARG 31 9.598 -39.791 14.617 259 HH12 ARG 31 2HH1 ARG 31 9.209 -40.891 15.891 260 HH21 ARG 31 1HH2 ARG 31 6.221 -39.356 16.662 261 HH22 ARG 31 2HH2 ARG 31 7.295 -40.665 17.030 262 H GLN 32 H GLN 32 6.488 -41.012 9.300 263 HA GLN 32 HA GLN 32 8.701 -42.709 8.811 264 HB2 GLN 32 2HB GLN 32 5.862 -42.805 7.775 265 HB3 GLN 32 3HB GLN 32 7.042 -44.086 7.526 266 HG2 GLN 32 2HG GLN 32 7.220 -44.383 9.957 267 HG3 GLN 32 3HG GLN 32 6.018 -43.115 10.191 268 HE21 GLN 32 1HE2 GLN 32 6.559 -46.366 9.067 269 HE22 GLN 32 2HE2 GLN 32 4.901 -46.855 9.082 270 H GLY 33 H GLY 33 7.317 -40.159 6.892 271 HA2 GLY 33 2HA GLY 33 9.324 -40.530 4.855 272 HA3 GLY 33 3HA GLY 33 7.714 -40.936 4.292 273 H ALA 34 H ALA 34 6.121 -38.997 5.325 274 HA ALA 34 HA ALA 34 6.357 -36.911 3.540 275 HB1 ALA 34 3HB ALA 34 4.661 -35.748 4.844 276 HB2 ALA 34 1HB ALA 34 4.978 -36.799 6.225 277 HB3 ALA 34 2HB ALA 34 4.294 -37.471 4.745 278 H TRP 35 H TRP 35 7.642 -37.035 6.839 279 HA TRP 35 HA TRP 35 8.566 -34.329 6.862 280 HB2 TRP 35 2HB TRP 35 9.010 -36.747 8.573 281 HB3 TRP 35 3HB TRP 35 10.096 -35.378 8.748 282 HD1 TRP 35 HD1 TRP 35 9.246 -34.967 11.219 283 HE1 TRP 35 HE1 TRP 35 7.141 -33.855 12.181 284 HE3 TRP 35 HE3 TRP 35 6.315 -34.920 7.012 285 HZ2 TRP 35 HZ2 TRP 35 4.600 -33.056 11.298 286 HZ3 TRP 35 HZ3 TRP 35 4.061 -33.955 7.166 287 HH2 TRP 35 HH2 TRP 35 3.219 -33.041 9.268 288 H ILE 36 H ILE 36 9.935 -33.746 5.263 289 HA ILE 36 HA ILE 36 12.217 -35.436 4.555 290 HB ILE 36 HB ILE 36 11.339 -32.788 3.368 291 HG12 ILE 36 2HG1 ILE 36 10.901 -35.605 2.328 292 HG13 ILE 36 3HG1 ILE 36 9.662 -34.589 3.055 293 HG21 ILE 36 1HG2 ILE 36 13.708 -33.220 3.011 294 HG22 ILE 36 2HG2 ILE 36 12.821 -33.383 1.496 295 HG23 ILE 36 3HG2 ILE 36 13.341 -34.822 2.373 296 HD11 ILE 36 3HD1 ILE 36 9.894 -32.990 1.231 297 HD12 ILE 36 1HD1 ILE 36 9.497 -34.600 0.635 298 HD13 ILE 36 2HD1 ILE 36 11.147 -33.994 0.503 299 H GLU 37 H GLU 37 14.334 -34.916 4.992 300 HA GLU 37 HA GLU 37 14.955 -33.352 7.225 301 HB2 GLU 37 2HB GLU 37 17.328 -33.658 6.548 302 HB3 GLU 37 3HB GLU 37 16.406 -35.155 6.528 303 HG2 GLU 37 2HG GLU 37 16.262 -35.116 4.140 304 HG3 GLU 37 3HG GLU 37 16.961 -33.499 4.074 305 H GLY 38 H GLY 38 15.578 -31.271 7.544 306 HA2 GLY 38 2HA GLY 38 16.188 -29.091 7.081 307 HA3 GLY 38 3HA GLY 38 16.468 -29.553 5.412 308 H VAL 39 H VAL 39 13.769 -30.569 4.976 309 HA VAL 39 HA VAL 39 12.549 -28.023 4.332 310 HB VAL 39 HB VAL 39 11.561 -30.812 3.695 311 HG11 VAL 39 1HG1 VAL 39 10.242 -29.735 1.952 312 HG12 VAL 39 2HG1 VAL 39 10.856 -28.155 2.435 313 HG13 VAL 39 3HG1 VAL 39 9.827 -29.075 3.534 314 HG21 VAL 39 3HG2 VAL 39 12.589 -30.484 1.488 315 HG22 VAL 39 1HG2 VAL 39 13.794 -30.456 2.776 316 HG23 VAL 39 2HG2 VAL 39 13.265 -28.948 2.030 317 H HIS 40 H HIS 40 11.446 -30.969 6.085 318 HA HIS 40 HA HIS 40 9.311 -29.314 7.287 319 HB2 HIS 40 2HB HIS 40 9.413 -32.271 6.701 320 HB3 HIS 40 3HB HIS 40 8.215 -31.574 7.785 321 HD1 HIS 40 HD1 HIS 40 8.757 -29.181 5.159 322 HD2 HIS 40 HD2 HIS 40 6.565 -32.695 5.538 323 HE1 HIS 40 HE1 HIS 40 7.072 -29.125 3.305 324 HE2 HIS 40 HE2 HIS 40 5.903 -31.345 3.431 325 H PHE 41 H PHE 41 12.165 -31.064 8.057 326 HA PHE 41 HA PHE 41 11.854 -30.162 10.810 327 HB2 PHE 41 2HB PHE 41 12.411 -32.253 11.853 328 HB3 PHE 41 3HB PHE 41 11.048 -32.542 10.783 329 HD1 PHE 41 HD1 PHE 41 11.304 -33.909 8.775 330 HD2 PHE 41 HD2 PHE 41 14.595 -33.209 11.389 331 HE1 PHE 41 HE1 PHE 41 12.536 -35.767 7.726 332 HE2 PHE 41 HE2 PHE 41 15.827 -35.062 10.343 333 HZ PHE 41 HZ PHE 41 14.799 -36.343 8.511 334 H LYS 42 H LYS 42 13.874 -29.928 11.938 335 HA LYS 42 HA LYS 42 16.247 -30.062 10.172 336 HB2 LYS 42 2HB LYS 42 15.533 -27.829 12.091 337 HB3 LYS 42 3HB LYS 42 17.040 -27.946 11.190 338 HG2 LYS 42 2HG LYS 42 15.786 -27.806 9.085 339 HG3 LYS 42 3HG LYS 42 14.282 -27.680 9.994 340 HD2 LYS 42 2HD LYS 42 14.820 -25.468 9.402 341 HD3 LYS 42 3HD LYS 42 15.301 -25.612 11.092 342 HE2 LYS 42 2HE LYS 42 17.168 -25.841 8.723 343 HE3 LYS 42 3HE LYS 42 16.958 -24.397 9.709 344 HZ1 LYS 42 3HZ LYS 42 18.898 -25.571 10.419 345 HZ2 LYS 42 1HZ LYS 42 18.038 -27.013 10.603 346 HZ3 LYS 42 2HZ LYS 42 17.730 -25.709 11.632 347 H ARG 43 H ARG 43 18.161 -30.690 11.047 348 HA ARG 43 HA ARG 43 18.093 -32.054 13.611 349 HB2 ARG 43 2HB ARG 43 20.418 -31.768 11.695 350 HB3 ARG 43 3HB ARG 43 20.246 -32.956 12.979 351 HG2 ARG 43 2HG ARG 43 18.549 -34.122 11.801 352 HG3 ARG 43 3HG ARG 43 18.371 -32.815 10.627 353 HD2 ARG 43 2HD ARG 43 20.771 -34.614 10.980 354 HD3 ARG 43 3HD ARG 43 19.625 -34.635 9.637 355 HE ARG 43 HE ARG 43 20.730 -32.066 9.830 356 HH11 ARG 43 1HH1 ARG 43 21.674 -35.265 8.945 357 HH12 ARG 43 2HH1 ARG 43 22.926 -34.713 7.890 358 HH21 ARG 43 1HH2 ARG 43 22.346 -31.378 8.475 359 HH22 ARG 43 2HH2 ARG 43 23.295 -32.542 7.618 360 H VAL 44 H VAL 44 18.468 -30.901 15.431 361 HA VAL 44 HA VAL 44 20.398 -28.670 15.317 362 HB VAL 44 HB VAL 44 18.148 -29.200 17.267 363 HG11 VAL 44 1HG1 VAL 44 18.713 -27.028 18.274 364 HG12 VAL 44 2HG1 VAL 44 20.130 -26.915 17.228 365 HG13 VAL 44 3HG1 VAL 44 20.032 -28.186 18.445 366 HG21 VAL 44 3HG2 VAL 44 17.421 -28.398 15.079 367 HG22 VAL 44 1HG2 VAL 44 18.544 -27.041 15.188 368 HG23 VAL 44 2HG2 VAL 44 17.185 -27.153 16.307 369 H SER 45 H SER 45 22.330 -29.001 16.164 370 HA SER 45 HA SER 45 22.869 -31.261 17.895 371 HB2 SER 45 2HB SER 45 24.727 -29.103 16.850 372 HB3 SER 45 3HB SER 45 25.229 -30.577 17.675 373 HG SER 45 HG SER 45 25.377 -31.188 15.632 374 HA PRO 46 HA PRO 46 22.655 -28.954 21.736 375 HB2 PRO 46 2HB PRO 46 24.142 -30.599 23.315 376 HB3 PRO 46 3HB PRO 46 22.499 -30.994 22.797 377 HG2 PRO 46 2HG PRO 46 25.115 -31.912 21.650 378 HG3 PRO 46 3HG PRO 46 23.658 -32.861 22.005 379 HD2 PRO 46 2HD PRO 46 24.245 -32.018 19.504 380 HD3 PRO 46 3HD PRO 46 22.571 -32.149 20.085 381 H SER 47 H SER 47 25.532 -29.440 19.963 382 HA SER 47 HA SER 47 26.790 -27.216 21.430 383 HB2 SER 47 2HB SER 47 27.924 -29.288 22.142 384 HB3 SER 47 3HB SER 47 28.280 -29.675 20.459 385 HG SER 47 HG SER 47 30.063 -28.680 21.409 386 H GLY 48 H GLY 48 27.332 -29.206 18.469 387 HA2 GLY 48 2HA GLY 48 26.658 -27.242 16.620 388 HA3 GLY 48 3HA GLY 48 28.357 -26.987 16.976 389 H GLU 49 H GLU 49 29.142 -29.690 17.250 390 HA GLU 49 HA GLU 49 29.365 -30.356 14.444 391 HB2 GLU 49 2HB GLU 49 31.001 -32.029 15.143 392 HB3 GLU 49 3HB GLU 49 31.356 -30.463 15.852 393 HG2 GLU 49 2HG GLU 49 29.951 -32.695 17.313 394 HG3 GLU 49 3HG GLU 49 31.688 -32.415 17.368 395 H LYS 50 H LYS 50 29.521 -32.978 14.166 396 HA LYS 50 HA LYS 50 26.815 -33.801 14.062 397 HB2 LYS 50 2HB LYS 50 29.418 -35.224 13.533 398 HB3 LYS 50 3HB LYS 50 27.885 -36.080 13.450 399 HG2 LYS 50 2HG LYS 50 28.550 -35.390 11.236 400 HG3 LYS 50 3HG LYS 50 27.111 -34.494 11.723 401 HD2 LYS 50 2HD LYS 50 28.588 -32.949 10.661 402 HD3 LYS 50 3HD LYS 50 28.621 -32.603 12.390 403 HE2 LYS 50 2HE LYS 50 30.873 -32.516 11.568 404 HE3 LYS 50 3HE LYS 50 30.702 -33.960 12.564 405 HZ1 LYS 50 3HZ LYS 50 31.931 -34.348 10.493 406 HZ2 LYS 50 1HZ LYS 50 30.555 -33.932 9.599 407 HZ3 LYS 50 2HZ LYS 50 30.536 -35.297 10.596 408 H THR 51 H THR 51 25.587 -34.680 15.561 409 HA THR 51 HA THR 51 26.844 -35.918 17.943 410 HB THR 51 HB THR 51 24.214 -34.419 17.934 411 HG1 THR 51 HG1 THR 51 26.325 -33.201 17.430 412 HG21 THR 51 3HG2 THR 51 24.577 -34.295 20.356 413 HG22 THR 51 1HG2 THR 51 26.078 -35.204 20.182 414 HG23 THR 51 2HG2 THR 51 24.534 -35.969 19.803 415 H LEU 52 H LEU 52 25.610 -37.587 19.003 416 HA LEU 52 HA LEU 52 23.954 -39.185 17.242 417 HB2 LEU 52 2HB LEU 52 24.766 -39.584 20.130 418 HB3 LEU 52 3HB LEU 52 23.843 -40.743 19.195 419 HG LEU 52 HG LEU 52 26.106 -41.500 19.267 420 HD11 LEU 52 1HD1 LEU 52 25.580 -40.267 16.561 421 HD12 LEU 52 2HD1 LEU 52 24.954 -41.812 17.137 422 HD13 LEU 52 3HD1 LEU 52 26.687 -41.598 16.901 423 HD21 LEU 52 3HD2 LEU 52 26.907 -38.769 18.246 424 HD22 LEU 52 1HD2 LEU 52 27.994 -40.147 18.443 425 HD23 LEU 52 2HD2 LEU 52 27.221 -39.424 19.853 426 H ARG 53 H ARG 53 23.520 -37.648 20.438 427 HA ARG 53 HA ARG 53 20.639 -37.802 20.246 428 HB2 ARG 53 2HB ARG 53 22.441 -36.399 22.234 429 HB3 ARG 53 3HB ARG 53 20.688 -36.467 22.361 430 HG2 ARG 53 2HG ARG 53 22.537 -38.853 22.376 431 HG3 ARG 53 3HG ARG 53 21.787 -38.125 23.796 432 HD2 ARG 53 2HD ARG 53 19.559 -38.633 22.838 433 HD3 ARG 53 3HD ARG 53 20.352 -39.427 21.478 434 HE ARG 53 HE ARG 53 21.387 -40.792 23.499 435 HH11 ARG 53 1HH1 ARG 53 18.133 -39.840 22.908 436 HH12 ARG 53 2HH1 ARG 53 17.471 -41.189 23.762 437 HH21 ARG 53 1HH2 ARG 53 20.522 -42.522 24.596 438 HH22 ARG 53 2HH2 ARG 53 18.807 -42.669 24.740 439 H GLY 54 H GLY 54 20.646 -36.681 18.121 440 HA2 GLY 54 2HA GLY 54 21.024 -33.791 18.176 441 HA3 GLY 54 3HA GLY 54 20.522 -34.755 16.796 442 H THR 55 H THR 55 19.479 -32.341 18.647 443 HA THR 55 HA THR 55 16.809 -33.201 19.294 444 HB THR 55 HB THR 55 17.838 -30.355 19.119 445 HG1 THR 55 HG1 THR 55 17.561 -31.528 21.611 446 HG21 THR 55 3HG2 THR 55 16.003 -29.882 20.696 447 HG22 THR 55 1HG2 THR 55 15.493 -31.567 20.601 448 HG23 THR 55 2HG2 THR 55 15.392 -30.533 19.174 449 H THR 56 H THR 56 15.230 -33.468 17.841 450 HA THR 56 HA THR 56 15.479 -32.184 15.214 451 HB THR 56 HB THR 56 13.619 -34.420 16.068 452 HG1 THR 56 HG1 THR 56 15.599 -35.323 16.101 453 HG21 THR 56 3HG2 THR 56 14.351 -33.377 13.322 454 HG22 THR 56 1HG2 THR 56 12.787 -33.194 14.119 455 HG23 THR 56 2HG2 THR 56 13.357 -34.796 13.647 456 H TRP 57 H TRP 57 14.604 -30.157 15.350 457 HA TRP 57 HA TRP 57 11.976 -29.763 16.559 458 HB2 TRP 57 2HB TRP 57 13.833 -27.800 15.185 459 HB3 TRP 57 3HB TRP 57 12.313 -27.371 15.961 460 HD1 TRP 57 HD1 TRP 57 15.835 -28.650 16.835 461 HE1 TRP 57 HE1 TRP 57 16.339 -28.048 19.285 462 HE3 TRP 57 HE3 TRP 57 11.264 -26.806 18.176 463 HZ2 TRP 57 HZ2 TRP 57 14.980 -26.956 21.493 464 HZ3 TRP 57 HZ3 TRP 57 10.945 -26.004 20.479 465 HH2 TRP 57 HH2 TRP 57 12.768 -26.078 22.107 466 H TYR 58 H TYR 58 10.090 -29.347 15.419 467 HA TYR 58 HA TYR 58 10.188 -30.093 12.577 468 HB2 TYR 58 2HB TYR 58 7.834 -30.110 14.486 469 HB3 TYR 58 3HB TYR 58 7.833 -30.725 12.834 470 HD1 TYR 58 HD2 TYR 58 9.659 -32.564 12.330 471 HD2 TYR 58 HD1 TYR 58 8.239 -31.611 16.229 472 HE1 TYR 58 HE2 TYR 58 10.439 -34.748 13.143 473 HE2 TYR 58 HE1 TYR 58 9.026 -33.791 17.052 474 HH TYR 58 HH TYR 58 11.136 -35.758 15.307 475 H ASN 59 H ASN 59 9.464 -28.809 10.984 476 HA ASN 59 HA ASN 59 9.116 -26.011 11.531 477 HB2 ASN 59 2HB ASN 59 8.875 -27.485 8.892 478 HB3 ASN 59 3HB ASN 59 9.067 -25.748 9.101 479 HD21 ASN 59 1HD2 ASN 59 10.965 -25.666 7.934 480 HD22 ASN 59 2HD2 ASN 59 12.449 -26.317 8.520 481 H TYR 60 H TYR 60 7.172 -25.667 12.592 482 HA TYR 60 HA TYR 60 4.716 -26.820 12.092 483 HB2 TYR 60 2HB TYR 60 5.085 -25.485 14.063 484 HB3 TYR 60 3HB TYR 60 5.299 -24.030 13.097 485 HD1 TYR 60 HD1 TYR 60 2.753 -26.687 13.785 486 HD2 TYR 60 HD2 TYR 60 3.474 -22.606 12.808 487 HE1 TYR 60 HE1 TYR 60 0.349 -26.221 13.979 488 HE2 TYR 60 HE2 TYR 60 1.071 -22.133 13.002 489 HH TYR 60 HH TYR 60 -1.157 -24.420 14.326 490 HA PRO 61 HA PRO 61 3.592 -23.097 9.019 491 HB2 PRO 61 2HB PRO 61 5.815 -22.417 7.476 492 HB3 PRO 61 3HB PRO 61 5.149 -21.449 8.794 493 HG2 PRO 61 2HG PRO 61 7.447 -23.368 8.824 494 HG3 PRO 61 3HG PRO 61 7.290 -21.789 9.619 495 HD2 PRO 61 2HD PRO 61 7.009 -24.049 11.013 496 HD3 PRO 61 3HD PRO 61 5.960 -22.652 11.340 497 H GLU 62 H GLU 62 6.283 -25.272 8.156 498 HA GLU 62 HA GLU 62 5.362 -25.946 5.569 499 HB2 GLU 62 2HB GLU 62 7.180 -27.399 7.501 500 HB3 GLU 62 3HB GLU 62 6.869 -27.965 5.866 501 HG2 GLU 62 2HG GLU 62 8.032 -25.262 6.518 502 HG3 GLU 62 3HG GLU 62 8.993 -26.690 6.144 503 H ILE 63 H ILE 63 4.841 -27.443 8.739 504 HA ILE 63 HA ILE 63 3.373 -29.691 7.823 505 HB ILE 63 HB ILE 63 3.266 -28.331 10.530 506 HG12 ILE 63 2HG1 ILE 63 4.931 -30.686 9.581 507 HG13 ILE 63 3HG1 ILE 63 5.538 -29.057 9.847 508 HG21 ILE 63 1HG2 ILE 63 2.408 -31.114 9.713 509 HG22 ILE 63 2HG2 ILE 63 1.342 -29.792 10.187 510 HG23 ILE 63 3HG2 ILE 63 2.448 -30.496 11.365 511 HD11 ILE 63 3HD1 ILE 63 4.990 -29.240 12.219 512 HD12 ILE 63 1HD1 ILE 63 6.099 -30.510 11.698 513 HD13 ILE 63 2HD1 ILE 63 4.393 -30.879 11.950 514 H ASN 64 H ASN 64 2.320 -26.518 9.058 515 HA ASN 64 HA ASN 64 -0.450 -26.868 8.897 516 HB2 ASN 64 2HB ASN 64 0.794 -24.943 9.968 517 HB3 ASN 64 3HB ASN 64 1.049 -24.290 8.355 518 HD21 ASN 64 1HD2 ASN 64 -0.378 -23.141 10.611 519 HD22 ASN 64 2HD2 ASN 64 -1.988 -22.852 10.061 520 H LYS 65 H LYS 65 1.843 -25.668 6.467 521 HA LYS 65 HA LYS 65 0.136 -25.181 4.332 522 HB2 LYS 65 2HB LYS 65 2.485 -24.581 4.302 523 HB3 LYS 65 3HB LYS 65 2.959 -26.272 4.363 524 HG2 LYS 65 2HG LYS 65 2.087 -26.634 2.134 525 HG3 LYS 65 3HG LYS 65 1.477 -24.978 2.072 526 HD2 LYS 65 2HD LYS 65 3.600 -25.234 0.848 527 HD3 LYS 65 3HD LYS 65 3.748 -24.107 2.196 528 HE2 LYS 65 2HE LYS 65 4.723 -25.947 3.559 529 HE3 LYS 65 3HE LYS 65 4.662 -26.986 2.136 530 HZ1 LYS 65 3HZ LYS 65 6.190 -24.449 2.348 531 HZ2 LYS 65 1HZ LYS 65 6.152 -25.473 1.003 532 HZ3 LYS 65 2HZ LYS 65 6.849 -26.002 2.450 533 H PHE 66 H PHE 66 1.534 -28.250 5.414 534 HA PHE 66 HA PHE 66 0.436 -29.845 3.312 535 HB2 PHE 66 2HB PHE 66 2.369 -30.617 4.584 536 HB3 PHE 66 3HB PHE 66 1.435 -30.600 6.074 537 HD1 PHE 66 HD2 PHE 66 1.735 -32.263 2.768 538 HD2 PHE 66 HD1 PHE 66 0.161 -32.475 6.724 539 HE1 PHE 66 HE2 PHE 66 1.099 -34.608 2.386 540 HE2 PHE 66 HE1 PHE 66 -0.475 -34.823 6.347 541 HZ PHE 66 HZ PHE 66 -0.007 -35.890 4.178 542 H ILE 67 H ILE 67 -0.602 -29.120 6.637 543 HA ILE 67 HA ILE 67 -2.840 -30.765 6.815 544 HB ILE 67 HB ILE 67 -2.425 -28.019 8.023 545 HG12 ILE 67 2HG1 ILE 67 -2.010 -30.787 9.191 546 HG13 ILE 67 3HG1 ILE 67 -0.728 -29.701 8.664 547 HG21 ILE 67 1HG2 ILE 67 -4.463 -30.128 8.750 548 HG22 ILE 67 2HG2 ILE 67 -4.798 -28.558 8.019 549 HG23 ILE 67 3HG2 ILE 67 -4.155 -28.646 9.659 550 HD11 ILE 67 3HD1 ILE 67 -1.375 -28.103 10.389 551 HD12 ILE 67 1HD1 ILE 67 -0.972 -29.676 11.077 552 HD13 ILE 67 2HD1 ILE 67 -2.660 -29.190 10.918 553 H ARG 68 H ARG 68 -2.656 -27.403 5.612 554 HA ARG 68 HA ARG 68 -5.295 -26.970 4.926 555 HB2 ARG 68 2HB ARG 68 -2.690 -26.001 3.841 556 HB3 ARG 68 3HB ARG 68 -4.125 -25.688 2.874 557 HG2 ARG 68 2HG ARG 68 -3.821 -24.889 5.770 558 HG3 ARG 68 3HG ARG 68 -3.491 -23.826 4.395 559 HD2 ARG 68 2HD ARG 68 -6.141 -25.115 5.089 560 HD3 ARG 68 3HD ARG 68 -5.728 -23.406 5.248 561 HE ARG 68 HE ARG 68 -5.295 -23.832 2.639 562 HH11 ARG 68 1HH1 ARG 68 -8.010 -24.579 4.643 563 HH12 ARG 68 2HH1 ARG 68 -9.127 -24.521 3.323 564 HH21 ARG 68 1HH2 ARG 68 -6.731 -23.749 0.973 565 HH22 ARG 68 2HH2 ARG 68 -8.408 -24.051 1.264 566 H ASP 69 H ASP 69 -2.803 -28.390 2.792 567 HA ASP 69 HA ASP 69 -4.451 -28.916 0.604 568 HB2 ASP 69 2HB ASP 69 -1.948 -29.018 0.632 569 HB3 ASP 69 3HB ASP 69 -2.060 -30.552 1.486 570 H SER 70 H SER 70 -3.609 -31.036 3.334 571 HA SER 70 HA SER 70 -5.133 -33.270 2.405 572 HB2 SER 70 2HB SER 70 -3.231 -33.582 3.906 573 HB3 SER 70 3HB SER 70 -4.040 -32.651 5.164 574 HG SER 70 HG SER 70 -5.683 -34.607 4.391 575 H LEU 71 H LEU 71 -5.971 -30.451 4.242 576 HA LEU 71 HA LEU 71 -8.325 -31.640 5.455 577 HB2 LEU 71 2HB LEU 71 -6.996 -30.007 6.691 578 HB3 LEU 71 3HB LEU 71 -7.307 -28.797 5.461 579 HG LEU 71 HG LEU 71 -9.732 -28.884 6.036 580 HD11 LEU 71 1HD1 LEU 71 -10.429 -29.968 8.117 581 HD12 LEU 71 2HD1 LEU 71 -8.816 -30.656 8.305 582 HD13 LEU 71 3HD1 LEU 71 -9.830 -31.145 6.947 583 HD21 LEU 71 3HD2 LEU 71 -8.270 -27.175 6.996 584 HD22 LEU 71 1HD2 LEU 71 -7.888 -28.247 8.342 585 HD23 LEU 71 2HD2 LEU 71 -9.533 -27.646 8.131 586 H GLU 72 H GLU 72 -7.734 -29.044 3.051 587 HA GLU 72 HA GLU 72 -10.556 -28.598 2.691 588 HB2 GLU 72 2HB GLU 72 -9.928 -26.873 1.110 589 HB3 GLU 72 3HB GLU 72 -8.945 -26.749 2.560 590 HG2 GLU 72 2HG GLU 72 -7.125 -26.743 1.286 591 HG3 GLU 72 3HG GLU 72 -7.495 -28.390 0.785 592 H HIS 73 H HIS 73 -8.152 -30.518 1.024 593 HA HIS 73 HA HIS 73 -9.601 -30.895 -1.397 594 HB2 HIS 73 2HB HIS 73 -7.513 -32.610 -0.039 595 HB3 HIS 73 3HB HIS 73 -8.200 -32.995 -1.613 596 HD1 HIS 73 HD1 HIS 73 -7.871 -29.434 -1.487 597 HD2 HIS 73 HD2 HIS 73 -5.263 -32.596 -2.157 598 HE1 HIS 73 HE1 HIS 73 -5.879 -28.433 -2.626 599 HE2 HIS 73 HE2 HIS 73 -4.236 -30.317 -2.804 600 H HIS 74 H HIS 74 -11.067 -32.466 -2.018 601 HA HIS 74 HA HIS 74 -12.747 -33.473 0.057 602 HB2 HIS 74 2HB HIS 74 -14.041 -34.501 -1.865 603 HB3 HIS 74 3HB HIS 74 -13.848 -32.754 -1.906 604 HD1 HIS 74 HD1 HIS 74 -12.399 -31.760 -3.801 605 HD2 HIS 74 HD2 HIS 74 -12.761 -35.899 -3.933 606 HE1 HIS 74 HE1 HIS 74 -11.534 -32.442 -6.054 607 HE2 HIS 74 HE2 HIS 74 -12.042 -34.899 -6.202 608 H HIS 75 H HIS 75 -10.952 -34.713 1.063 609 HA HIS 75 HA HIS 75 -11.427 -37.527 0.509 610 HB2 HIS 75 2HB HIS 75 -8.696 -36.264 0.389 611 HB3 HIS 75 3HB HIS 75 -8.866 -37.912 0.980 612 HD1 HIS 75 HD1 HIS 75 -8.070 -36.237 -2.002 613 HD2 HIS 75 HD2 HIS 75 -10.519 -39.465 -1.094 614 HE1 HIS 75 HE1 HIS 75 -8.340 -37.503 -4.150 615 HE2 HIS 75 HE2 HIS 75 -9.605 -39.576 -3.507 616 H HIS 76 H HIS 76 -12.527 -37.756 2.413 617 HA HIS 76 HA HIS 76 -11.291 -36.740 4.873 618 HB2 HIS 76 2HB HIS 76 -13.445 -37.020 5.933 619 HB3 HIS 76 3HB HIS 76 -13.663 -36.160 4.414 620 HD1 HIS 76 HD1 HIS 76 -14.515 -39.343 6.155 621 HD2 HIS 76 HD2 HIS 76 -15.092 -37.586 2.435 622 HE1 HIS 76 HE1 HIS 76 -16.242 -40.755 5.008 623 HE2 HIS 76 HE2 HIS 76 -16.565 -39.687 2.749 624 H HIS 77 H HIS 77 -10.182 -38.048 6.176 625 HA HIS 77 HA HIS 77 -10.010 -40.843 5.937 626 HB2 HIS 77 2HB HIS 77 -8.250 -39.740 7.112 627 HB3 HIS 77 3HB HIS 77 -9.377 -38.958 8.217 628 HD1 HIS 77 HD1 HIS 77 -7.746 -42.294 7.552 629 HD2 HIS 77 HD2 HIS 77 -10.087 -40.442 10.447 630 HE1 HIS 77 HE1 HIS 77 -7.809 -43.886 9.490 631 HE2 HIS 77 HE2 HIS 77 -9.125 -42.690 11.275 632 H HIS 78 H HIS 78 -11.476 -42.360 6.398 633 HA HIS 78 HA HIS 78 -13.948 -41.891 7.637 634 HB2 HIS 78 2HB HIS 78 -13.616 -43.748 6.103 635 HB3 HIS 78 3HB HIS 78 -12.452 -44.489 7.196 636 HD1 HIS 78 HD1 HIS 78 -16.112 -43.443 7.308 637 HD2 HIS 78 HD2 HIS 78 -13.582 -46.402 8.755 638 HE1 HIS 78 HE1 HIS 78 -17.590 -45.028 8.569 639 HE2 HIS 78 HE2 HIS 78 -16.060 -46.878 9.322 Start of MODEL 13 1 H1 MET 1 1H MET 1 4.450 -11.798 -3.106 2 H2 MET 1 2H MET 1 5.574 -11.470 -4.324 3 H3 MET 1 3H MET 1 3.969 -10.975 -4.504 4 HA MET 1 HA MET 1 5.869 -9.989 -2.454 5 HB2 MET 1 2HB MET 1 5.882 -7.884 -3.686 6 HB3 MET 1 3HB MET 1 6.422 -9.200 -4.717 7 HG2 MET 1 2HG MET 1 4.247 -9.275 -5.801 8 HG3 MET 1 3HG MET 1 3.652 -8.007 -4.732 9 HE1 MET 1 3HE MET 1 6.108 -8.906 -7.654 10 HE2 MET 1 1HE MET 1 7.216 -8.261 -6.442 11 HE3 MET 1 2HE MET 1 6.922 -7.366 -7.933 12 H ALA 2 H ALA 2 2.613 -10.586 -3.157 13 HA ALA 2 HA ALA 2 1.298 -8.319 -2.166 14 HB1 ALA 2 3HB ALA 2 0.436 -11.211 -1.991 15 HB2 ALA 2 1HB ALA 2 0.142 -10.118 -3.344 16 HB3 ALA 2 2HB ALA 2 -0.614 -9.809 -1.780 17 H GLN 3 H GLN 3 1.906 -11.359 -0.374 18 HA GLN 3 HA GLN 3 2.446 -9.734 2.030 19 HB2 GLN 3 2HB GLN 3 0.245 -10.787 2.299 20 HB3 GLN 3 3HB GLN 3 0.937 -12.364 1.933 21 HG2 GLN 3 2HG GLN 3 2.356 -12.169 3.953 22 HG3 GLN 3 3HG GLN 3 1.561 -10.643 4.331 23 HE21 GLN 3 1HE2 GLN 3 1.204 -14.087 4.162 24 HE22 GLN 3 2HE2 GLN 3 -0.245 -14.187 5.091 25 H ILE 4 H ILE 4 4.192 -10.361 3.249 26 HA ILE 4 HA ILE 4 6.043 -12.235 2.065 27 HB ILE 4 HB ILE 4 6.265 -10.706 4.672 28 HG12 ILE 4 2HG1 ILE 4 6.071 -9.183 2.764 29 HG13 ILE 4 3HG1 ILE 4 7.713 -9.154 3.397 30 HG21 ILE 4 1HG2 ILE 4 7.745 -12.632 4.650 31 HG22 ILE 4 2HG2 ILE 4 8.685 -11.150 4.474 32 HG23 ILE 4 3HG2 ILE 4 8.370 -12.167 3.068 33 HD11 ILE 4 3HD1 ILE 4 7.723 -9.124 0.981 34 HD12 ILE 4 1HD1 ILE 4 6.782 -10.614 0.932 35 HD13 ILE 4 2HD1 ILE 4 8.425 -10.629 1.572 36 H ILE 5 H ILE 5 5.154 -14.302 2.247 37 HA ILE 5 HA ILE 5 4.365 -15.361 4.818 38 HB ILE 5 HB ILE 5 4.730 -16.678 2.119 39 HG12 ILE 5 2HG1 ILE 5 2.260 -17.141 2.438 40 HG13 ILE 5 3HG1 ILE 5 2.320 -16.125 3.873 41 HG21 ILE 5 1HG2 ILE 5 3.836 -18.752 3.141 42 HG22 ILE 5 2HG2 ILE 5 4.002 -18.006 4.731 43 HG23 ILE 5 3HG2 ILE 5 5.433 -18.314 3.748 44 HD11 ILE 5 3HD1 ILE 5 1.430 -14.920 1.973 45 HD12 ILE 5 1HD1 ILE 5 2.898 -15.246 1.055 46 HD13 ILE 5 2HD1 ILE 5 2.964 -14.223 2.491 47 H PHE 6 H PHE 6 5.760 -15.936 6.331 48 HA PHE 6 HA PHE 6 8.557 -15.822 5.883 49 HB2 PHE 6 2HB PHE 6 7.036 -16.748 8.328 50 HB3 PHE 6 3HB PHE 6 8.748 -16.342 8.277 51 HD1 PHE 6 HD2 PHE 6 9.446 -13.986 7.824 52 HD2 PHE 6 HD1 PHE 6 5.379 -15.055 8.517 53 HE1 PHE 6 HE2 PHE 6 8.912 -11.633 8.301 54 HE2 PHE 6 HE1 PHE 6 4.846 -12.703 8.996 55 HZ PHE 6 HZ PHE 6 6.609 -10.989 8.889 56 H ASN 7 H ASN 7 6.465 -18.578 6.825 57 HA ASN 7 HA ASN 7 6.731 -20.828 6.664 58 HB2 ASN 7 2HB ASN 7 8.803 -20.053 4.600 59 HB3 ASN 7 3HB ASN 7 8.348 -21.719 4.935 60 HD21 ASN 7 1HD2 ASN 7 5.549 -21.140 5.373 61 HD22 ASN 7 2HD2 ASN 7 4.884 -20.788 3.821 62 H GLU 8 H GLU 8 8.415 -19.119 8.488 63 HA GLU 8 HA GLU 8 10.570 -21.040 9.059 64 HB2 GLU 8 2HB GLU 8 11.417 -19.208 10.606 65 HB3 GLU 8 3HB GLU 8 11.515 -18.894 8.883 66 HG2 GLU 8 2HG GLU 8 10.758 -16.878 9.643 67 HG3 GLU 8 3HG GLU 8 9.235 -17.670 9.260 68 H GLU 9 H GLU 9 7.649 -21.277 9.654 69 HA GLU 9 HA GLU 9 7.340 -21.204 12.489 70 HB2 GLU 9 2HB GLU 9 5.780 -22.844 10.473 71 HB3 GLU 9 3HB GLU 9 5.296 -22.505 12.123 72 HG2 GLU 9 2HG GLU 9 4.011 -21.076 10.794 73 HG3 GLU 9 3HG GLU 9 5.272 -20.054 11.475 74 H TRP 10 H TRP 10 9.310 -22.285 13.156 75 HA TRP 10 HA TRP 10 9.327 -25.209 12.808 76 HB2 TRP 10 2HB TRP 10 11.431 -23.317 13.896 77 HB3 TRP 10 3HB TRP 10 11.602 -25.068 13.853 78 HD1 TRP 10 HD1 TRP 10 11.664 -21.996 11.571 79 HE1 TRP 10 HE1 TRP 10 12.683 -22.677 9.311 80 HE3 TRP 10 HE3 TRP 10 11.883 -27.064 12.266 81 HZ2 TRP 10 HZ2 TRP 10 13.484 -25.046 7.996 82 HZ3 TRP 10 HZ3 TRP 10 12.795 -28.464 10.458 83 HH2 TRP 10 HH2 TRP 10 13.577 -27.473 8.368 84 H MET 11 H MET 11 8.665 -26.512 14.424 85 HA MET 11 HA MET 11 9.074 -25.679 17.197 86 HB2 MET 11 2HB MET 11 6.821 -26.332 17.897 87 HB3 MET 11 3HB MET 11 6.761 -25.008 16.745 88 HG2 MET 11 2HG MET 11 6.367 -27.875 15.929 89 HG3 MET 11 3HG MET 11 5.043 -26.851 16.476 90 HE1 MET 11 3HE MET 11 4.117 -24.796 15.198 91 HE2 MET 11 1HE MET 11 4.843 -24.116 13.738 92 HE3 MET 11 2HE MET 11 5.698 -24.016 15.277 93 H VAL 12 H VAL 12 8.856 -27.485 18.743 94 HA VAL 12 HA VAL 12 10.011 -29.911 17.763 95 HB VAL 12 HB VAL 12 9.813 -30.739 20.078 96 HG11 VAL 12 1HG1 VAL 12 10.813 -27.893 19.933 97 HG12 VAL 12 2HG1 VAL 12 11.717 -29.329 19.452 98 HG13 VAL 12 3HG1 VAL 12 11.267 -29.095 21.141 99 HG21 VAL 12 3HG2 VAL 12 7.650 -29.775 20.666 100 HG22 VAL 12 1HG2 VAL 12 8.339 -28.151 20.607 101 HG23 VAL 12 2HG2 VAL 12 8.877 -29.294 21.837 102 H GLU 13 H GLU 13 9.103 -32.080 18.208 103 HA GLU 13 HA GLU 13 6.785 -32.602 16.819 104 HB2 GLU 13 2HB GLU 13 8.509 -34.275 17.369 105 HB3 GLU 13 3HB GLU 13 7.985 -34.267 19.045 106 HG2 GLU 13 2HG GLU 13 5.786 -35.124 18.349 107 HG3 GLU 13 3HG GLU 13 6.347 -35.164 16.676 108 H LYS 14 H LYS 14 7.111 -32.299 20.352 109 HA LYS 14 HA LYS 14 4.493 -32.956 21.076 110 HB2 LYS 14 2HB LYS 14 6.507 -32.668 22.592 111 HB3 LYS 14 3HB LYS 14 6.236 -30.935 22.499 112 HG2 LYS 14 2HG LYS 14 4.001 -32.714 23.386 113 HG3 LYS 14 3HG LYS 14 5.301 -32.329 24.510 114 HD2 LYS 14 2HD LYS 14 3.677 -30.261 23.031 115 HD3 LYS 14 3HD LYS 14 3.318 -30.811 24.668 116 HE2 LYS 14 2HE LYS 14 5.557 -30.057 25.381 117 HE3 LYS 14 3HE LYS 14 5.860 -29.461 23.750 118 HZ1 LYS 14 3HZ LYS 14 3.726 -28.509 25.580 119 HZ2 LYS 14 1HZ LYS 14 3.988 -27.948 24.004 120 HZ3 LYS 14 2HZ LYS 14 5.151 -27.682 25.200 121 H ALA 15 H ALA 15 5.859 -29.759 20.272 122 HA ALA 15 HA ALA 15 3.371 -28.377 20.598 123 HB1 ALA 15 3HB ALA 15 4.509 -26.476 19.585 124 HB2 ALA 15 1HB ALA 15 5.843 -27.518 19.088 125 HB3 ALA 15 2HB ALA 15 5.537 -27.234 20.802 126 H LEU 16 H LEU 16 5.010 -29.929 17.919 127 HA LEU 16 HA LEU 16 3.556 -28.859 15.772 128 HB2 LEU 16 2HB LEU 16 5.700 -30.174 15.675 129 HB3 LEU 16 3HB LEU 16 4.768 -31.627 15.960 130 HG LEU 16 HG LEU 16 5.460 -31.182 13.560 131 HD11 LEU 16 1HD1 LEU 16 3.382 -31.951 12.591 132 HD12 LEU 16 2HD1 LEU 16 2.497 -31.466 14.038 133 HD13 LEU 16 3HD1 LEU 16 3.682 -32.770 14.123 134 HD21 LEU 16 3HD2 LEU 16 3.307 -29.069 13.716 135 HD22 LEU 16 1HD2 LEU 16 4.154 -29.592 12.259 136 HD23 LEU 16 2HD2 LEU 16 5.036 -28.766 13.544 137 H MET 17 H MET 17 3.015 -31.881 17.614 138 HA MET 17 HA MET 17 0.726 -32.704 16.204 139 HB2 MET 17 2HB MET 17 0.271 -34.179 18.105 140 HB3 MET 17 3HB MET 17 1.970 -34.214 17.661 141 HG2 MET 17 2HG MET 17 2.473 -32.691 19.524 142 HG3 MET 17 3HG MET 17 0.770 -32.715 19.982 143 HE1 MET 17 3HE MET 17 4.055 -34.816 19.605 144 HE2 MET 17 1HE MET 17 2.920 -35.732 18.614 145 HE3 MET 17 2HE MET 17 3.523 -36.416 20.124 146 H VAL 18 H VAL 18 1.089 -30.384 18.800 147 HA VAL 18 HA VAL 18 -1.698 -30.164 19.428 148 HB VAL 18 HB VAL 18 0.548 -28.193 19.939 149 HG11 VAL 18 1HG1 VAL 18 -0.927 -27.272 21.687 150 HG12 VAL 18 2HG1 VAL 18 -2.212 -28.364 21.166 151 HG13 VAL 18 3HG1 VAL 18 -1.628 -27.107 20.075 152 HG21 VAL 18 3HG2 VAL 18 0.987 -30.358 20.977 153 HG22 VAL 18 1HG2 VAL 18 -0.610 -30.343 21.726 154 HG23 VAL 18 2HG2 VAL 18 0.600 -29.153 22.207 155 H ARG 19 H ARG 19 0.502 -28.462 17.238 156 HA ARG 19 HA ARG 19 -1.444 -26.485 16.456 157 HB2 ARG 19 2HB ARG 19 1.180 -27.236 15.138 158 HB3 ARG 19 3HB ARG 19 0.231 -25.797 14.793 159 HG2 ARG 19 2HG ARG 19 1.537 -26.444 17.435 160 HG3 ARG 19 3HG ARG 19 2.149 -25.309 16.233 161 HD2 ARG 19 2HD ARG 19 -0.502 -25.069 17.656 162 HD3 ARG 19 3HD ARG 19 0.963 -24.196 18.096 163 HE ARG 19 HE ARG 19 0.471 -23.653 15.419 164 HH11 ARG 19 1HH1 ARG 19 -1.126 -23.127 18.434 165 HH12 ARG 19 2HH1 ARG 19 -1.848 -21.646 17.903 166 HH21 ARG 19 1HH2 ARG 19 -0.489 -21.770 14.757 167 HH22 ARG 19 2HH2 ARG 19 -1.492 -20.887 15.856 168 H THR 20 H THR 20 -0.640 -29.686 15.387 169 HA THR 20 HA THR 20 -2.071 -29.302 12.835 170 HB THR 20 HB THR 20 -1.085 -31.487 12.171 171 HG1 THR 20 HG1 THR 20 0.744 -31.402 14.281 172 HG21 THR 20 3HG2 THR 20 1.236 -30.685 11.930 173 HG22 THR 20 1HG2 THR 20 0.912 -29.417 13.112 174 HG23 THR 20 2HG2 THR 20 0.066 -29.416 11.565 175 H GLY 21 H GLY 21 -2.220 -31.113 15.845 176 HA2 GLY 21 2HA GLY 21 -4.184 -32.070 16.733 177 HA3 GLY 21 3HA GLY 21 -4.897 -32.065 15.128 178 H LEU 22 H LEU 22 -1.748 -33.304 15.081 179 HA LEU 22 HA LEU 22 -2.736 -35.986 14.584 180 HB2 LEU 22 2HB LEU 22 -0.090 -34.613 14.269 181 HB3 LEU 22 3HB LEU 22 -0.151 -36.364 14.273 182 HG LEU 22 HG LEU 22 -1.585 -36.382 12.321 183 HD11 LEU 22 1HD1 LEU 22 -1.476 -33.366 12.434 184 HD12 LEU 22 2HD1 LEU 22 -2.892 -34.372 12.749 185 HD13 LEU 22 3HD1 LEU 22 -2.184 -34.327 11.135 186 HD21 LEU 22 3HD2 LEU 22 0.828 -36.294 11.965 187 HD22 LEU 22 1HD2 LEU 22 0.774 -34.532 11.945 188 HD23 LEU 22 2HD2 LEU 22 -0.032 -35.455 10.675 189 H GLY 23 H GLY 23 -1.495 -37.895 15.490 190 HA2 GLY 23 2HA GLY 23 -1.069 -37.520 18.393 191 HA3 GLY 23 3HA GLY 23 -1.584 -39.016 17.630 192 H ALA 24 H ALA 24 0.564 -38.822 19.449 193 HA ALA 24 HA ALA 24 3.114 -38.493 18.477 194 HB1 ALA 24 3HB ALA 24 2.198 -40.604 20.430 195 HB2 ALA 24 1HB ALA 24 2.582 -38.927 20.822 196 HB3 ALA 24 2HB ALA 24 3.848 -40.009 20.243 197 H ARG 25 H ARG 25 1.164 -41.482 18.255 198 HA ARG 25 HA ARG 25 3.258 -42.940 16.933 199 HB2 ARG 25 2HB ARG 25 1.623 -44.110 18.334 200 HB3 ARG 25 3HB ARG 25 0.322 -43.619 17.255 201 HG2 ARG 25 2HG ARG 25 1.225 -44.973 15.472 202 HG3 ARG 25 3HG ARG 25 2.646 -45.369 16.440 203 HD2 ARG 25 2HD ARG 25 -0.196 -46.107 17.164 204 HD3 ARG 25 3HD ARG 25 0.950 -47.186 16.368 205 HE ARG 25 HE ARG 25 1.741 -46.047 18.937 206 HH11 ARG 25 1HH1 ARG 25 0.525 -48.759 17.198 207 HH12 ARG 25 2HH1 ARG 25 0.958 -49.881 18.438 208 HH21 ARG 25 1HH2 ARG 25 2.281 -47.494 20.519 209 HH22 ARG 25 2HH2 ARG 25 1.948 -49.178 20.292 210 H GLN 26 H GLN 26 0.381 -41.182 15.865 211 HA GLN 26 HA GLN 26 0.403 -41.998 13.166 212 HB2 GLN 26 2HB GLN 26 -1.414 -40.670 14.366 213 HB3 GLN 26 3HB GLN 26 -0.412 -39.244 14.126 214 HG2 GLN 26 2HG GLN 26 -0.499 -39.646 11.684 215 HG3 GLN 26 3HG GLN 26 -1.599 -40.993 11.973 216 HE21 GLN 26 1HE2 GLN 26 -2.087 -38.631 10.435 217 HE22 GLN 26 2HE2 GLN 26 -3.418 -37.809 11.172 218 H ILE 27 H ILE 27 2.092 -39.373 14.835 219 HA ILE 27 HA ILE 27 3.297 -38.221 12.542 220 HB ILE 27 HB ILE 27 4.179 -38.140 15.438 221 HG12 ILE 27 2HG1 ILE 27 2.611 -36.163 13.748 222 HG13 ILE 27 3HG1 ILE 27 1.958 -37.164 15.040 223 HG21 ILE 27 1HG2 ILE 27 5.100 -36.421 13.126 224 HG22 ILE 27 2HG2 ILE 27 6.061 -37.648 13.951 225 HG23 ILE 27 3HG2 ILE 27 5.546 -36.203 14.819 226 HD11 ILE 27 3HD1 ILE 27 2.285 -34.893 15.794 227 HD12 ILE 27 1HD1 ILE 27 3.989 -34.966 15.348 228 HD13 ILE 27 2HD1 ILE 27 3.376 -35.983 16.652 229 H GLU 28 H GLU 28 4.570 -40.596 14.924 230 HA GLU 28 HA GLU 28 7.114 -40.816 13.710 231 HB2 GLU 28 2HB GLU 28 7.539 -42.663 15.127 232 HB3 GLU 28 3HB GLU 28 6.510 -41.577 16.047 233 HG2 GLU 28 2HG GLU 28 4.581 -42.975 15.586 234 HG3 GLU 28 3HG GLU 28 5.573 -44.043 14.595 235 H SER 29 H SER 29 4.054 -42.280 12.922 236 HA SER 29 HA SER 29 5.010 -44.284 11.149 237 HB2 SER 29 2HB SER 29 2.668 -44.266 11.903 238 HB3 SER 29 3HB SER 29 2.394 -42.739 11.064 239 HG SER 29 HG SER 29 1.769 -44.786 9.961 240 H TYR 30 H TYR 30 3.927 -40.929 10.561 241 HA TYR 30 HA TYR 30 4.620 -40.834 7.822 242 HB2 TYR 30 2HB TYR 30 4.512 -38.566 9.829 243 HB3 TYR 30 3HB TYR 30 4.564 -38.374 8.081 244 HD1 TYR 30 HD2 TYR 30 2.630 -40.744 7.508 245 HD2 TYR 30 HD1 TYR 30 2.445 -37.407 10.146 246 HE1 TYR 30 HE2 TYR 30 0.173 -40.814 7.419 247 HE2 TYR 30 HE1 TYR 30 -0.008 -37.473 10.061 248 HH TYR 30 HH TYR 30 -1.770 -38.378 8.273 249 H ARG 31 H ARG 31 6.480 -40.248 10.740 250 HA ARG 31 HA ARG 31 8.825 -39.206 9.609 251 HB2 ARG 31 2HB ARG 31 8.322 -40.796 12.126 252 HB3 ARG 31 3HB ARG 31 9.921 -40.199 11.704 253 HG2 ARG 31 2HG ARG 31 9.176 -37.919 11.816 254 HG3 ARG 31 3HG ARG 31 7.499 -38.427 12.011 255 HD2 ARG 31 2HD ARG 31 8.609 -37.678 14.125 256 HD3 ARG 31 3HD ARG 31 7.941 -39.307 14.194 257 HE ARG 31 HE ARG 31 10.546 -39.681 13.486 258 HH11 ARG 31 1HH1 ARG 31 8.992 -38.039 16.096 259 HH12 ARG 31 2HH1 ARG 31 10.263 -38.399 17.210 260 HH21 ARG 31 1HH2 ARG 31 12.159 -40.129 14.908 261 HH22 ARG 31 2HH2 ARG 31 12.055 -39.566 16.540 262 H GLN 32 H GLN 32 7.498 -42.324 9.300 263 HA GLN 32 HA GLN 32 10.072 -43.536 8.561 264 HB2 GLN 32 2HB GLN 32 7.322 -44.736 8.960 265 HB3 GLN 32 3HB GLN 32 8.727 -45.656 8.437 266 HG2 GLN 32 2HG GLN 32 9.857 -45.187 10.531 267 HG3 GLN 32 3HG GLN 32 8.524 -44.156 11.049 268 HE21 GLN 32 1HE2 GLN 32 6.598 -45.113 11.719 269 HE22 GLN 32 2HE2 GLN 32 6.479 -46.795 12.089 270 H GLY 33 H GLY 33 8.164 -41.563 6.963 271 HA2 GLY 33 2HA GLY 33 8.769 -42.735 4.391 272 HA3 GLY 33 3HA GLY 33 7.053 -42.724 4.749 273 H ALA 34 H ALA 34 6.079 -40.569 5.234 274 HA ALA 34 HA ALA 34 6.536 -38.813 3.109 275 HB1 ALA 34 3HB ALA 34 4.888 -37.364 4.151 276 HB2 ALA 34 1HB ALA 34 5.059 -38.237 5.674 277 HB3 ALA 34 2HB ALA 34 4.389 -39.051 4.262 278 H TRP 35 H TRP 35 7.909 -38.776 6.331 279 HA TRP 35 HA TRP 35 8.719 -36.037 6.284 280 HB2 TRP 35 2HB TRP 35 9.172 -38.367 8.068 281 HB3 TRP 35 3HB TRP 35 10.362 -37.076 8.146 282 HD1 TRP 35 HD1 TRP 35 9.721 -36.229 10.517 283 HE1 TRP 35 HE1 TRP 35 7.691 -35.000 11.493 284 HE3 TRP 35 HE3 TRP 35 6.435 -36.763 6.610 285 HZ2 TRP 35 HZ2 TRP 35 5.081 -34.337 10.743 286 HZ3 TRP 35 HZ3 TRP 35 4.192 -35.780 6.836 287 HH2 TRP 35 HH2 TRP 35 3.529 -34.594 8.861 288 H ILE 36 H ILE 36 10.149 -35.246 4.939 289 HA ILE 36 HA ILE 36 12.468 -36.830 4.059 290 HB ILE 36 HB ILE 36 11.324 -34.280 2.884 291 HG12 ILE 36 2HG1 ILE 36 11.101 -37.116 1.827 292 HG13 ILE 36 3HG1 ILE 36 9.809 -36.251 2.654 293 HG21 ILE 36 1HG2 ILE 36 12.789 -34.722 0.975 294 HG22 ILE 36 2HG2 ILE 36 13.428 -36.152 1.781 295 HG23 ILE 36 3HG2 ILE 36 13.727 -34.550 2.459 296 HD11 ILE 36 3HD1 ILE 36 9.527 -36.222 0.235 297 HD12 ILE 36 1HD1 ILE 36 11.087 -35.421 0.058 298 HD13 ILE 36 2HD1 ILE 36 9.760 -34.595 0.876 299 H GLU 37 H GLU 37 14.530 -36.165 4.604 300 HA GLU 37 HA GLU 37 14.911 -34.232 6.634 301 HB2 GLU 37 2HB GLU 37 17.338 -34.536 6.216 302 HB3 GLU 37 3HB GLU 37 16.475 -36.053 6.411 303 HG2 GLU 37 2HG GLU 37 16.476 -36.361 3.977 304 HG3 GLU 37 3HG GLU 37 17.360 -34.846 3.792 305 H GLY 38 H GLY 38 15.393 -32.099 6.601 306 HA2 GLY 38 2HA GLY 38 16.021 -30.022 5.758 307 HA3 GLY 38 3HA GLY 38 16.281 -30.756 4.185 308 H VAL 39 H VAL 39 13.556 -31.928 4.133 309 HA VAL 39 HA VAL 39 12.205 -29.506 3.180 310 HB VAL 39 HB VAL 39 11.517 -32.403 2.641 311 HG11 VAL 39 1HG1 VAL 39 10.546 -29.881 1.292 312 HG12 VAL 39 2HG1 VAL 39 9.603 -30.901 2.379 313 HG13 VAL 39 3HG1 VAL 39 10.139 -31.533 0.822 314 HG21 VAL 39 3HG2 VAL 39 12.556 -32.065 0.448 315 HG22 VAL 39 1HG2 VAL 39 13.723 -31.825 1.748 316 HG23 VAL 39 2HG2 VAL 39 13.030 -30.431 0.916 317 H HIS 40 H HIS 40 11.561 -32.304 5.287 318 HA HIS 40 HA HIS 40 9.147 -30.911 6.263 319 HB2 HIS 40 2HB HIS 40 9.775 -33.849 6.050 320 HB3 HIS 40 3HB HIS 40 8.551 -33.267 7.174 321 HD1 HIS 40 HD1 HIS 40 8.250 -34.993 4.363 322 HD2 HIS 40 HD2 HIS 40 7.114 -31.081 5.171 323 HE1 HIS 40 HE1 HIS 40 6.439 -34.469 2.717 324 HE2 HIS 40 HE2 HIS 40 5.913 -32.045 3.093 325 H PHE 41 H PHE 41 12.298 -31.558 7.125 326 HA PHE 41 HA PHE 41 11.961 -30.546 9.751 327 HB2 PHE 41 2HB PHE 41 12.666 -32.481 11.073 328 HB3 PHE 41 3HB PHE 41 11.166 -32.827 10.227 329 HD1 PHE 41 HD2 PHE 41 14.776 -33.553 10.371 330 HD2 PHE 41 HD1 PHE 41 11.051 -34.546 8.557 331 HE1 PHE 41 HE2 PHE 41 15.776 -35.601 9.450 332 HE2 PHE 41 HE1 PHE 41 12.046 -36.599 7.641 333 HZ PHE 41 HZ PHE 41 14.411 -37.129 8.085 334 H LYS 42 H LYS 42 14.045 -30.403 10.961 335 HA LYS 42 HA LYS 42 16.439 -31.226 9.527 336 HB2 LYS 42 2HB LYS 42 17.465 -29.144 9.279 337 HB3 LYS 42 3HB LYS 42 15.812 -28.844 8.769 338 HG2 LYS 42 2HG LYS 42 15.309 -27.747 10.860 339 HG3 LYS 42 3HG LYS 42 16.887 -28.192 11.515 340 HD2 LYS 42 2HD LYS 42 17.935 -26.864 9.653 341 HD3 LYS 42 3HD LYS 42 16.320 -26.291 9.236 342 HE2 LYS 42 2HE LYS 42 17.592 -25.926 11.951 343 HE3 LYS 42 3HE LYS 42 17.663 -24.728 10.661 344 HZ1 LYS 42 3HZ LYS 42 15.160 -25.756 11.885 345 HZ2 LYS 42 1HZ LYS 42 15.276 -24.545 10.707 346 HZ3 LYS 42 2HZ LYS 42 15.891 -24.282 12.256 347 H ARG 43 H ARG 43 18.433 -30.896 10.840 348 HA ARG 43 HA ARG 43 17.855 -31.684 13.584 349 HB2 ARG 43 2HB ARG 43 20.547 -31.536 12.207 350 HB3 ARG 43 3HB ARG 43 20.159 -32.402 13.688 351 HG2 ARG 43 2HG ARG 43 19.169 -33.060 10.912 352 HG3 ARG 43 3HG ARG 43 20.383 -33.944 11.836 353 HD2 ARG 43 2HD ARG 43 17.450 -33.656 12.500 354 HD3 ARG 43 3HD ARG 43 18.268 -35.115 11.944 355 HE ARG 43 HE ARG 43 18.099 -34.186 14.611 356 HH11 ARG 43 1HH1 ARG 43 20.303 -35.740 12.450 357 HH12 ARG 43 2HH1 ARG 43 21.139 -36.550 13.722 358 HH21 ARG 43 1HH2 ARG 43 19.160 -35.260 16.220 359 HH22 ARG 43 2HH2 ARG 43 20.499 -36.289 15.834 360 H VAL 44 H VAL 44 17.793 -30.219 15.183 361 HA VAL 44 HA VAL 44 19.247 -27.689 14.905 362 HB VAL 44 HB VAL 44 17.245 -28.595 16.992 363 HG11 VAL 44 1HG1 VAL 44 18.512 -25.875 16.585 364 HG12 VAL 44 2HG1 VAL 44 18.782 -26.962 17.948 365 HG13 VAL 44 3HG1 VAL 44 17.195 -26.239 17.703 366 HG21 VAL 44 3HG2 VAL 44 15.730 -27.009 15.878 367 HG22 VAL 44 1HG2 VAL 44 16.249 -28.297 14.791 368 HG23 VAL 44 2HG2 VAL 44 16.966 -26.689 14.660 369 H SER 45 H SER 45 20.978 -27.101 16.153 370 HA SER 45 HA SER 45 22.437 -29.237 17.419 371 HB2 SER 45 2HB SER 45 23.107 -26.302 17.078 372 HB3 SER 45 3HB SER 45 24.213 -27.504 17.741 373 HG SER 45 HG SER 45 23.237 -27.226 15.112 374 HA PRO 46 HA PRO 46 20.973 -28.165 21.571 375 HB2 PRO 46 2HB PRO 46 22.088 -30.284 22.841 376 HB3 PRO 46 3HB PRO 46 20.614 -30.433 21.877 377 HG2 PRO 46 2HG PRO 46 23.435 -31.127 21.146 378 HG3 PRO 46 3HG PRO 46 21.941 -32.020 20.811 379 HD2 PRO 46 2HD PRO 46 23.204 -30.424 18.974 380 HD3 PRO 46 3HD PRO 46 21.461 -30.758 18.954 381 H SER 47 H SER 47 22.071 -26.402 22.284 382 HA SER 47 HA SER 47 24.751 -25.829 21.975 383 HB2 SER 47 2HB SER 47 23.075 -24.130 22.521 384 HB3 SER 47 3HB SER 47 22.906 -24.796 24.145 385 HG SER 47 HG SER 47 24.548 -23.631 24.713 386 H GLY 48 H GLY 48 23.229 -27.445 24.743 387 HA2 GLY 48 2HA GLY 48 25.598 -27.457 26.363 388 HA3 GLY 48 3HA GLY 48 24.140 -28.389 26.646 389 H GLU 49 H GLU 49 23.909 -30.448 25.567 390 HA GLU 49 HA GLU 49 26.440 -31.828 25.312 391 HB2 GLU 49 2HB GLU 49 23.653 -32.948 24.914 392 HB3 GLU 49 3HB GLU 49 25.131 -33.871 25.138 393 HG2 GLU 49 2HG GLU 49 24.022 -33.964 27.197 394 HG3 GLU 49 3HG GLU 49 25.303 -32.775 27.420 395 H LYS 50 H LYS 50 27.343 -30.960 23.415 396 HA LYS 50 HA LYS 50 25.959 -30.896 20.923 397 HB2 LYS 50 2HB LYS 50 28.914 -30.697 21.552 398 HB3 LYS 50 3HB LYS 50 28.208 -30.380 19.972 399 HG2 LYS 50 2HG LYS 50 27.462 -28.868 22.474 400 HG3 LYS 50 3HG LYS 50 28.703 -28.340 21.334 401 HD2 LYS 50 2HD LYS 50 25.832 -28.882 20.561 402 HD3 LYS 50 3HD LYS 50 26.444 -27.285 21.004 403 HE2 LYS 50 2HE LYS 50 27.470 -28.991 18.729 404 HE3 LYS 50 3HE LYS 50 26.379 -27.615 18.564 405 HZ1 LYS 50 3HZ LYS 50 28.641 -26.964 18.100 406 HZ2 LYS 50 1HZ LYS 50 29.161 -27.521 19.610 407 HZ3 LYS 50 2HZ LYS 50 28.111 -26.197 19.509 408 H THR 51 H THR 51 25.158 -33.082 20.822 409 HA THR 51 HA THR 51 27.163 -35.035 19.850 410 HB THR 51 HB THR 51 25.711 -36.827 20.542 411 HG1 THR 51 HG1 THR 51 23.821 -35.241 21.823 412 HG21 THR 51 3HG2 THR 51 25.636 -36.521 22.976 413 HG22 THR 51 1HG2 THR 51 25.869 -34.784 22.769 414 HG23 THR 51 2HG2 THR 51 27.148 -35.908 22.308 415 H LEU 52 H LEU 52 25.693 -36.819 18.522 416 HA LEU 52 HA LEU 52 24.609 -35.336 16.263 417 HB2 LEU 52 2HB LEU 52 25.100 -38.284 16.709 418 HB3 LEU 52 3HB LEU 52 24.388 -37.638 15.244 419 HG LEU 52 HG LEU 52 26.699 -38.074 14.814 420 HD11 LEU 52 1HD1 LEU 52 26.306 -35.104 15.186 421 HD12 LEU 52 2HD1 LEU 52 25.803 -36.058 13.789 422 HD13 LEU 52 3HD1 LEU 52 27.517 -35.869 14.158 423 HD21 LEU 52 3HD2 LEU 52 27.527 -38.110 17.104 424 HD22 LEU 52 1HD2 LEU 52 27.346 -36.359 17.215 425 HD23 LEU 52 2HD2 LEU 52 28.519 -37.056 16.098 426 H ARG 53 H ARG 53 23.327 -36.180 19.104 427 HA ARG 53 HA ARG 53 20.775 -37.251 18.208 428 HB2 ARG 53 2HB ARG 53 21.561 -36.246 20.959 429 HB3 ARG 53 3HB ARG 53 20.174 -37.249 20.563 430 HG2 ARG 53 2HG ARG 53 23.063 -38.071 20.310 431 HG3 ARG 53 3HG ARG 53 21.964 -38.535 21.610 432 HD2 ARG 53 2HD ARG 53 20.520 -39.665 19.953 433 HD3 ARG 53 3HD ARG 53 21.672 -39.242 18.682 434 HE ARG 53 HE ARG 53 23.036 -40.596 20.719 435 HH11 ARG 53 1HH1 ARG 53 20.685 -41.240 18.268 436 HH12 ARG 53 2HH1 ARG 53 21.138 -42.903 18.135 437 HH21 ARG 53 1HH2 ARG 53 23.585 -42.733 20.524 438 HH22 ARG 53 2HH2 ARG 53 22.750 -43.736 19.388 439 H GLY 54 H GLY 54 21.789 -34.499 17.396 440 HA2 GLY 54 2HA GLY 54 20.640 -32.359 18.622 441 HA3 GLY 54 3HA GLY 54 20.812 -32.484 16.882 442 H THR 55 H THR 55 18.677 -31.633 19.073 443 HA THR 55 HA THR 55 16.355 -33.120 18.762 444 HB THR 55 HB THR 55 16.495 -30.114 19.138 445 HG1 THR 55 HG1 THR 55 16.734 -30.532 21.293 446 HG21 THR 55 3HG2 THR 55 14.344 -32.109 19.896 447 HG22 THR 55 1HG2 THR 55 14.237 -30.914 18.603 448 HG23 THR 55 2HG2 THR 55 14.338 -30.387 20.281 449 H THR 56 H THR 56 15.204 -33.586 17.015 450 HA THR 56 HA THR 56 15.553 -32.110 14.553 451 HB THR 56 HB THR 56 13.825 -34.532 15.135 452 HG1 THR 56 HG1 THR 56 15.556 -35.699 14.282 453 HG21 THR 56 3HG2 THR 56 14.706 -33.321 12.510 454 HG22 THR 56 1HG2 THR 56 13.062 -33.324 13.152 455 HG23 THR 56 2HG2 THR 56 13.835 -34.843 12.694 456 H TRP 57 H TRP 57 14.468 -30.204 14.452 457 HA TRP 57 HA TRP 57 11.682 -30.014 15.317 458 HB2 TRP 57 2HB TRP 57 13.608 -27.971 14.184 459 HB3 TRP 57 3HB TRP 57 11.918 -27.612 14.516 460 HD1 TRP 57 HD1 TRP 57 14.202 -29.660 16.862 461 HE1 TRP 57 HE1 TRP 57 14.407 -28.395 19.090 462 HE3 TRP 57 HE3 TRP 57 11.686 -25.401 15.618 463 HZ2 TRP 57 HZ2 TRP 57 13.614 -25.922 20.181 464 HZ3 TRP 57 HZ3 TRP 57 11.453 -23.629 17.306 465 HH2 TRP 57 HH2 TRP 57 12.398 -23.885 19.544 466 H TYR 58 H TYR 58 9.981 -29.271 13.834 467 HA TYR 58 HA TYR 58 10.396 -30.515 11.182 468 HB2 TYR 58 2HB TYR 58 7.873 -30.435 12.853 469 HB3 TYR 58 3HB TYR 58 8.046 -31.225 11.288 470 HD1 TYR 58 HD2 TYR 58 9.593 -33.196 11.081 471 HD2 TYR 58 HD1 TYR 58 8.567 -31.527 14.861 472 HE1 TYR 58 HE2 TYR 58 10.364 -35.246 12.191 473 HE2 TYR 58 HE1 TYR 58 9.348 -33.575 15.979 474 HH TYR 58 HH TYR 58 11.201 -35.929 14.430 475 H ASN 59 H ASN 59 9.383 -29.692 9.360 476 HA ASN 59 HA ASN 59 8.938 -26.849 9.297 477 HB2 ASN 59 2HB ASN 59 8.702 -28.989 7.172 478 HB3 ASN 59 3HB ASN 59 8.432 -27.278 6.859 479 HD21 ASN 59 1HD2 ASN 59 10.168 -25.891 6.804 480 HD22 ASN 59 2HD2 ASN 59 11.799 -26.449 6.758 481 H TYR 60 H TYR 60 7.066 -26.396 10.525 482 HA TYR 60 HA TYR 60 4.610 -27.669 10.315 483 HB2 TYR 60 2HB TYR 60 4.990 -26.059 12.072 484 HB3 TYR 60 3HB TYR 60 5.156 -24.753 10.900 485 HD1 TYR 60 HD1 TYR 60 2.730 -27.229 12.265 486 HD2 TYR 60 HD2 TYR 60 3.253 -23.566 10.145 487 HE1 TYR 60 HE1 TYR 60 0.308 -26.820 12.379 488 HE2 TYR 60 HE2 TYR 60 0.833 -23.149 10.261 489 HH TYR 60 HH TYR 60 -1.251 -24.922 12.278 490 HA PRO 61 HA PRO 61 3.469 -24.346 6.746 491 HB2 PRO 61 2HB PRO 61 5.721 -24.273 5.037 492 HB3 PRO 61 3HB PRO 61 5.114 -22.956 6.042 493 HG2 PRO 61 2HG PRO 61 7.314 -24.898 6.591 494 HG3 PRO 61 3HG PRO 61 7.194 -23.181 7.020 495 HD2 PRO 61 2HD PRO 61 6.824 -25.068 8.864 496 HD3 PRO 61 3HD PRO 61 5.803 -23.613 8.847 497 H GLU 62 H GLU 62 5.943 -26.855 6.037 498 HA GLU 62 HA GLU 62 4.538 -27.799 3.729 499 HB2 GLU 62 2HB GLU 62 7.025 -28.573 5.170 500 HB3 GLU 62 3HB GLU 62 6.262 -29.810 4.177 501 HG2 GLU 62 2HG GLU 62 7.132 -27.085 3.217 502 HG3 GLU 62 3HG GLU 62 7.995 -28.600 2.957 503 H ILE 63 H ILE 63 4.684 -28.885 7.109 504 HA ILE 63 HA ILE 63 3.269 -31.321 6.695 505 HB ILE 63 HB ILE 63 3.471 -29.623 9.197 506 HG12 ILE 63 2HG1 ILE 63 5.003 -32.104 8.358 507 HG13 ILE 63 3HG1 ILE 63 5.633 -30.462 8.328 508 HG21 ILE 63 1HG2 ILE 63 1.528 -31.088 9.322 509 HG22 ILE 63 2HG2 ILE 63 2.791 -31.650 10.417 510 HG23 ILE 63 3HG2 ILE 63 2.523 -32.477 8.882 511 HD11 ILE 63 3HD1 ILE 63 5.424 -30.330 10.752 512 HD12 ILE 63 1HD1 ILE 63 6.434 -31.688 10.260 513 HD13 ILE 63 2HD1 ILE 63 4.776 -31.970 10.789 514 H ASN 64 H ASN 64 2.211 -28.058 7.608 515 HA ASN 64 HA ASN 64 -0.564 -28.538 7.692 516 HB2 ASN 64 2HB ASN 64 0.501 -26.490 8.575 517 HB3 ASN 64 3HB ASN 64 0.925 -25.997 6.940 518 HD21 ASN 64 1HD2 ASN 64 -1.626 -26.356 9.250 519 HD22 ASN 64 2HD2 ASN 64 -2.807 -25.443 8.387 520 H LYS 65 H LYS 65 1.576 -27.544 5.054 521 HA LYS 65 HA LYS 65 -0.236 -27.319 2.960 522 HB2 LYS 65 2HB LYS 65 2.049 -26.628 2.722 523 HB3 LYS 65 3HB LYS 65 2.644 -28.242 3.050 524 HG2 LYS 65 2HG LYS 65 0.938 -27.785 0.640 525 HG3 LYS 65 3HG LYS 65 2.621 -27.261 0.622 526 HD2 LYS 65 2HD LYS 65 3.090 -29.698 1.476 527 HD3 LYS 65 3HD LYS 65 1.495 -30.035 0.801 528 HE2 LYS 65 2HE LYS 65 3.232 -30.518 -0.834 529 HE3 LYS 65 3HE LYS 65 2.246 -29.158 -1.375 530 HZ1 LYS 65 3HZ LYS 65 4.883 -28.917 -0.025 531 HZ2 LYS 65 1HZ LYS 65 3.952 -27.645 -0.637 532 HZ3 LYS 65 2HZ LYS 65 4.630 -28.777 -1.692 533 H PHE 66 H PHE 66 1.486 -30.224 4.085 534 HA PHE 66 HA PHE 66 0.394 -32.093 2.314 535 HB2 PHE 66 2HB PHE 66 2.301 -32.609 3.740 536 HB3 PHE 66 3HB PHE 66 1.311 -32.441 5.183 537 HD1 PHE 66 HD2 PHE 66 1.875 -34.516 2.169 538 HD2 PHE 66 HD1 PHE 66 0.032 -34.257 6.002 539 HE1 PHE 66 HE2 PHE 66 1.368 -36.921 2.084 540 HE2 PHE 66 HE1 PHE 66 -0.467 -36.665 5.926 541 HZ PHE 66 HZ PHE 66 0.201 -38.000 3.966 542 H ILE 67 H ILE 67 -0.713 -31.233 5.598 543 HA ILE 67 HA ILE 67 -3.013 -32.873 5.595 544 HB ILE 67 HB ILE 67 -2.508 -30.332 7.169 545 HG12 ILE 67 2HG1 ILE 67 -2.021 -33.230 7.923 546 HG13 ILE 67 3HG1 ILE 67 -0.771 -32.073 7.485 547 HG21 ILE 67 1HG2 ILE 67 -4.474 -32.570 7.678 548 HG22 ILE 67 2HG2 ILE 67 -4.874 -30.929 7.168 549 HG23 ILE 67 3HG2 ILE 67 -4.163 -31.209 8.757 550 HD11 ILE 67 3HD1 ILE 67 -1.306 -30.729 9.433 551 HD12 ILE 67 1HD1 ILE 67 -0.914 -32.384 9.893 552 HD13 ILE 67 2HD1 ILE 67 -2.596 -31.852 9.870 553 H ARG 68 H ARG 68 -2.445 -29.657 4.337 554 HA ARG 68 HA ARG 68 -5.063 -28.708 4.114 555 HB2 ARG 68 2HB ARG 68 -3.041 -27.330 3.775 556 HB3 ARG 68 3HB ARG 68 -2.706 -28.183 2.280 557 HG2 ARG 68 2HG ARG 68 -5.305 -26.735 2.605 558 HG3 ARG 68 3HG ARG 68 -3.835 -25.833 2.247 559 HD2 ARG 68 2HD ARG 68 -3.492 -27.210 0.235 560 HD3 ARG 68 3HD ARG 68 -4.974 -28.095 0.594 561 HE ARG 68 HE ARG 68 -5.319 -25.242 0.355 562 HH11 ARG 68 1HH1 ARG 68 -5.241 -28.242 -1.336 563 HH12 ARG 68 2HH1 ARG 68 -6.220 -27.663 -2.633 564 HH21 ARG 68 1HH2 ARG 68 -6.560 -24.500 -1.339 565 HH22 ARG 68 2HH2 ARG 68 -6.943 -25.569 -2.642 566 H ASP 69 H ASP 69 -3.145 -30.546 1.716 567 HA ASP 69 HA ASP 69 -5.346 -30.705 -0.133 568 HB2 ASP 69 2HB ASP 69 -2.990 -30.704 -0.886 569 HB3 ASP 69 3HB ASP 69 -2.750 -32.268 -0.112 570 H SER 70 H SER 70 -4.121 -32.731 2.445 571 HA SER 70 HA SER 70 -5.568 -35.096 1.752 572 HB2 SER 70 2HB SER 70 -3.649 -35.244 3.239 573 HB3 SER 70 3HB SER 70 -4.433 -34.191 4.415 574 HG SER 70 HG SER 70 -5.234 -36.808 3.633 575 H LEU 71 H LEU 71 -6.275 -32.341 3.847 576 HA LEU 71 HA LEU 71 -8.648 -33.447 4.981 577 HB2 LEU 71 2HB LEU 71 -7.051 -31.510 5.800 578 HB3 LEU 71 3HB LEU 71 -8.126 -30.491 4.868 579 HG LEU 71 HG LEU 71 -8.715 -30.512 7.254 580 HD11 LEU 71 1HD1 LEU 71 -11.090 -30.991 7.056 581 HD12 LEU 71 2HD1 LEU 71 -10.801 -31.881 5.561 582 HD13 LEU 71 3HD1 LEU 71 -10.495 -30.144 5.628 583 HD21 LEU 71 3HD2 LEU 71 -9.239 -33.459 6.862 584 HD22 LEU 71 1HD2 LEU 71 -9.597 -32.525 8.315 585 HD23 LEU 71 2HD2 LEU 71 -7.926 -32.753 7.806 586 H GLU 72 H GLU 72 -8.155 -30.804 2.617 587 HA GLU 72 HA GLU 72 -9.397 -30.017 0.894 588 HB2 GLU 72 2HB GLU 72 -10.790 -32.689 1.117 589 HB3 GLU 72 3HB GLU 72 -11.095 -31.527 -0.165 590 HG2 GLU 72 2HG GLU 72 -8.748 -31.687 -0.860 591 HG3 GLU 72 3HG GLU 72 -8.462 -32.878 0.408 592 H HIS 73 H HIS 73 -11.911 -31.793 2.710 593 HA HIS 73 HA HIS 73 -13.942 -29.921 2.284 594 HB2 HIS 73 2HB HIS 73 -14.150 -32.347 3.030 595 HB3 HIS 73 3HB HIS 73 -13.771 -31.791 4.655 596 HD1 HIS 73 HD1 HIS 73 -15.832 -31.619 5.992 597 HD2 HIS 73 HD2 HIS 73 -16.502 -30.602 2.022 598 HE1 HIS 73 HE1 HIS 73 -18.277 -31.077 5.842 599 HE2 HIS 73 HE2 HIS 73 -18.617 -30.301 3.476 600 H HIS 74 H HIS 74 -13.594 -27.829 2.811 601 HA HIS 74 HA HIS 74 -11.949 -26.778 4.718 602 HB2 HIS 74 2HB HIS 74 -13.205 -24.661 4.507 603 HB3 HIS 74 3HB HIS 74 -12.885 -25.417 2.951 604 HD1 HIS 74 HD1 HIS 74 -15.489 -23.764 4.708 605 HD2 HIS 74 HD2 HIS 74 -15.347 -26.995 2.101 606 HE1 HIS 74 HE1 HIS 74 -17.828 -24.026 3.830 607 HE2 HIS 74 HE2 HIS 74 -17.722 -25.996 2.272 608 H HIS 75 H HIS 75 -11.933 -27.515 6.756 609 HA HIS 75 HA HIS 75 -14.377 -27.491 8.376 610 HB2 HIS 75 2HB HIS 75 -13.055 -29.512 8.517 611 HB3 HIS 75 3HB HIS 75 -11.601 -28.594 8.889 612 HD1 HIS 75 HD1 HIS 75 -11.025 -28.564 11.288 613 HD2 HIS 75 HD2 HIS 75 -15.103 -29.108 10.707 614 HE1 HIS 75 HE1 HIS 75 -11.995 -28.880 13.576 615 HE2 HIS 75 HE2 HIS 75 -14.415 -29.412 13.179 616 H HIS 76 H HIS 76 -14.791 -25.953 9.877 617 HA HIS 76 HA HIS 76 -12.948 -23.726 10.134 618 HB2 HIS 76 2HB HIS 76 -15.707 -24.146 11.309 619 HB3 HIS 76 3HB HIS 76 -14.782 -22.652 11.410 620 HD1 HIS 76 HD1 HIS 76 -14.281 -21.469 9.037 621 HD2 HIS 76 HD2 HIS 76 -17.245 -24.380 9.051 622 HE1 HIS 76 HE1 HIS 76 -15.584 -21.116 6.927 623 HE2 HIS 76 HE2 HIS 76 -17.502 -22.728 7.081 624 H HIS 77 H HIS 77 -12.987 -22.678 12.460 625 HA HIS 77 HA HIS 77 -11.351 -24.254 14.128 626 HB2 HIS 77 2HB HIS 77 -11.178 -21.830 14.038 627 HB3 HIS 77 3HB HIS 77 -12.813 -21.654 14.659 628 HD1 HIS 77 HD1 HIS 77 -13.103 -21.652 17.172 629 HD2 HIS 77 HD2 HIS 77 -9.266 -22.735 15.984 630 HE1 HIS 77 HE1 HIS 77 -11.728 -21.693 19.277 631 HE2 HIS 77 HE2 HIS 77 -9.460 -22.488 18.553 632 H HIS 78 H HIS 78 -11.696 -25.053 16.258 633 HA HIS 78 HA HIS 78 -14.509 -25.338 17.102 634 HB2 HIS 78 2HB HIS 78 -13.926 -27.626 17.975 635 HB3 HIS 78 3HB HIS 78 -13.933 -27.482 16.223 636 HD1 HIS 78 HD1 HIS 78 -11.720 -28.241 19.110 637 HD2 HIS 78 HD2 HIS 78 -11.369 -27.685 15.009 638 HE1 HIS 78 HE1 HIS 78 -9.452 -29.118 18.505 639 HE2 HIS 78 HE2 HIS 78 -9.347 -28.951 16.001 Start of MODEL 14 1 H1 MET 1 1H MET 1 13.468 0.942 -1.117 2 H2 MET 1 2H MET 1 15.122 0.734 -0.838 3 H3 MET 1 3H MET 1 14.289 1.987 -0.067 4 HA MET 1 HA MET 1 14.694 0.213 1.479 5 HB2 MET 1 2HB MET 1 11.800 0.427 0.616 6 HB3 MET 1 3HB MET 1 12.334 -0.232 2.156 7 HG2 MET 1 2HG MET 1 11.560 2.059 2.389 8 HG3 MET 1 3HG MET 1 13.280 1.928 2.765 9 HE1 MET 1 3HE MET 1 13.501 4.564 2.583 10 HE2 MET 1 1HE MET 1 11.795 4.717 2.170 11 HE3 MET 1 2HE MET 1 13.018 5.499 1.168 12 H ALA 2 H ALA 2 13.600 -1.976 2.178 13 HA ALA 2 HA ALA 2 13.207 -3.826 -0.048 14 HB1 ALA 2 3HB ALA 2 14.900 -5.397 0.735 15 HB2 ALA 2 1HB ALA 2 15.366 -4.280 2.018 16 HB3 ALA 2 2HB ALA 2 15.638 -3.846 0.330 17 H GLN 3 H GLN 3 12.298 -5.879 0.614 18 HA GLN 3 HA GLN 3 11.391 -6.190 3.354 19 HB2 GLN 3 2HB GLN 3 8.963 -6.294 2.652 20 HB3 GLN 3 3HB GLN 3 9.681 -4.689 2.642 21 HG2 GLN 3 2HG GLN 3 9.986 -4.862 0.201 22 HG3 GLN 3 3HG GLN 3 9.202 -6.441 0.234 23 HE21 GLN 3 1HE2 GLN 3 7.560 -5.717 -1.144 24 HE22 GLN 3 2HE2 GLN 3 6.315 -4.648 -0.602 25 H ILE 4 H ILE 4 11.627 -8.275 3.799 26 HA ILE 4 HA ILE 4 11.327 -10.275 1.652 27 HB ILE 4 HB ILE 4 12.653 -10.516 4.368 28 HG12 ILE 4 2HG1 ILE 4 13.916 -9.097 2.803 29 HG13 ILE 4 3HG1 ILE 4 14.761 -10.611 3.098 30 HG21 ILE 4 1HG2 ILE 4 11.747 -12.655 3.724 31 HG22 ILE 4 2HG2 ILE 4 13.499 -12.690 3.523 32 HG23 ILE 4 3HG2 ILE 4 12.451 -12.513 2.115 33 HD11 ILE 4 3HD1 ILE 4 14.873 -9.973 0.764 34 HD12 ILE 4 1HD1 ILE 4 13.113 -9.956 0.665 35 HD13 ILE 4 2HD1 ILE 4 13.965 -11.472 0.961 36 H ILE 5 H ILE 5 9.268 -11.011 1.557 37 HA ILE 5 HA ILE 5 7.668 -11.228 3.993 38 HB ILE 5 HB ILE 5 6.875 -11.602 1.092 39 HG12 ILE 5 2HG1 ILE 5 5.476 -9.516 1.605 40 HG13 ILE 5 3HG1 ILE 5 6.431 -9.349 3.072 41 HG21 ILE 5 1HG2 ILE 5 4.549 -11.683 1.905 42 HG22 ILE 5 2HG2 ILE 5 5.141 -11.672 3.566 43 HG23 ILE 5 3HG2 ILE 5 5.511 -13.033 2.507 44 HD11 ILE 5 3HD1 ILE 5 7.233 -7.905 1.280 45 HD12 ILE 5 1HD1 ILE 5 7.514 -9.317 0.263 46 HD13 ILE 5 2HD1 ILE 5 8.451 -9.095 1.740 47 H PHE 6 H PHE 6 8.377 -13.022 5.074 48 HA PHE 6 HA PHE 6 7.527 -15.590 3.986 49 HB2 PHE 6 2HB PHE 6 10.377 -15.004 4.797 50 HB3 PHE 6 3HB PHE 6 9.721 -16.633 4.904 51 HD1 PHE 6 HD2 PHE 6 9.031 -17.830 2.852 52 HD2 PHE 6 HD1 PHE 6 10.970 -14.043 2.689 53 HE1 PHE 6 HE2 PHE 6 9.560 -18.206 0.479 54 HE2 PHE 6 HE1 PHE 6 11.506 -14.414 0.316 55 HZ PHE 6 HZ PHE 6 10.798 -16.498 -0.791 56 H ASN 7 H ASN 7 7.097 -17.179 5.574 57 HA ASN 7 HA ASN 7 7.494 -16.441 8.385 58 HB2 ASN 7 2HB ASN 7 5.165 -17.071 8.955 59 HB3 ASN 7 3HB ASN 7 5.239 -15.671 7.894 60 HD21 ASN 7 1HD2 ASN 7 4.594 -15.893 5.739 61 HD22 ASN 7 2HD2 ASN 7 3.614 -17.212 5.223 62 H GLU 8 H GLU 8 8.374 -18.088 9.475 63 HA GLU 8 HA GLU 8 7.837 -20.843 8.541 64 HB2 GLU 8 2HB GLU 8 10.420 -19.801 9.731 65 HB3 GLU 8 3HB GLU 8 10.110 -21.462 9.243 66 HG2 GLU 8 2HG GLU 8 9.806 -20.657 6.905 67 HG3 GLU 8 3HG GLU 8 10.275 -19.046 7.444 68 H GLU 9 H GLU 9 7.355 -22.367 10.052 69 HA GLU 9 HA GLU 9 7.577 -21.657 12.904 70 HB2 GLU 9 2HB GLU 9 5.185 -22.982 11.599 71 HB3 GLU 9 3HB GLU 9 5.409 -22.787 13.333 72 HG2 GLU 9 2HG GLU 9 5.365 -20.356 13.071 73 HG3 GLU 9 3HG GLU 9 5.157 -20.547 11.330 74 H TRP 10 H TRP 10 9.302 -22.971 13.331 75 HA TRP 10 HA TRP 10 9.141 -25.809 12.570 76 HB2 TRP 10 2HB TRP 10 11.507 -24.246 13.642 77 HB3 TRP 10 3HB TRP 10 11.540 -25.896 13.028 78 HD1 TRP 10 HD1 TRP 10 11.504 -22.271 11.883 79 HE1 TRP 10 HE1 TRP 10 11.950 -22.182 9.352 80 HE3 TRP 10 HE3 TRP 10 11.186 -27.263 10.825 81 HZ2 TRP 10 HZ2 TRP 10 12.128 -23.978 7.194 82 HZ3 TRP 10 HZ3 TRP 10 11.503 -27.993 8.496 83 HH2 TRP 10 HH2 TRP 10 11.965 -26.383 6.718 84 H MET 11 H MET 11 8.361 -27.168 14.075 85 HA MET 11 HA MET 11 8.957 -26.662 16.917 86 HB2 MET 11 2HB MET 11 6.604 -27.213 17.503 87 HB3 MET 11 3HB MET 11 6.759 -25.731 16.574 88 HG2 MET 11 2HG MET 11 6.124 -26.984 14.535 89 HG3 MET 11 3HG MET 11 5.875 -28.416 15.531 90 HE1 MET 11 3HE MET 11 5.023 -24.630 16.339 91 HE2 MET 11 1HE MET 11 3.338 -24.565 15.824 92 HE3 MET 11 2HE MET 11 4.613 -24.815 14.633 93 H VAL 12 H VAL 12 8.819 -28.526 18.311 94 HA VAL 12 HA VAL 12 9.648 -30.959 16.989 95 HB VAL 12 HB VAL 12 10.014 -31.849 19.262 96 HG11 VAL 12 1HG1 VAL 12 11.137 -29.077 18.829 97 HG12 VAL 12 2HG1 VAL 12 11.794 -30.586 18.195 98 HG13 VAL 12 3HG1 VAL 12 11.791 -30.289 19.934 99 HG21 VAL 12 3HG2 VAL 12 8.172 -30.787 20.435 100 HG22 VAL 12 1HG2 VAL 12 8.888 -29.194 20.180 101 HG23 VAL 12 2HG2 VAL 12 9.695 -30.370 21.219 102 H GLU 13 H GLU 13 8.821 -33.091 18.035 103 HA GLU 13 HA GLU 13 6.317 -33.675 17.060 104 HB2 GLU 13 2HB GLU 13 8.032 -35.349 17.583 105 HB3 GLU 13 3HB GLU 13 7.793 -35.072 19.302 106 HG2 GLU 13 2HG GLU 13 5.452 -35.876 19.055 107 HG3 GLU 13 3HG GLU 13 5.804 -36.260 17.370 108 H LYS 14 H LYS 14 7.084 -33.301 20.542 109 HA LYS 14 HA LYS 14 4.502 -33.682 21.516 110 HB2 LYS 14 2HB LYS 14 6.632 -33.670 22.845 111 HB3 LYS 14 3HB LYS 14 6.620 -31.915 22.758 112 HG2 LYS 14 2HG LYS 14 4.238 -33.331 23.877 113 HG3 LYS 14 3HG LYS 14 5.689 -33.160 24.867 114 HD2 LYS 14 2HD LYS 14 4.230 -30.874 23.534 115 HD3 LYS 14 3HD LYS 14 4.026 -31.342 25.224 116 HE2 LYS 14 2HE LYS 14 6.381 -30.865 25.647 117 HE3 LYS 14 3HE LYS 14 6.621 -30.463 23.946 118 HZ1 LYS 14 3HZ LYS 14 5.076 -28.628 24.197 119 HZ2 LYS 14 1HZ LYS 14 6.348 -28.482 25.300 120 HZ3 LYS 14 2HZ LYS 14 4.834 -29.015 25.823 121 H ALA 15 H ALA 15 6.049 -30.647 20.499 122 HA ALA 15 HA ALA 15 3.819 -28.993 21.201 123 HB1 ALA 15 3HB ALA 15 4.962 -27.250 19.922 124 HB2 ALA 15 1HB ALA 15 6.078 -28.447 19.266 125 HB3 ALA 15 2HB ALA 15 6.088 -28.084 20.992 126 H LEU 16 H LEU 16 4.845 -30.663 18.286 127 HA LEU 16 HA LEU 16 3.113 -29.426 16.452 128 HB2 LEU 16 2HB LEU 16 5.166 -30.839 15.979 129 HB3 LEU 16 3HB LEU 16 4.177 -32.250 16.281 130 HG LEU 16 HG LEU 16 4.577 -31.581 13.844 131 HD11 LEU 16 1HD1 LEU 16 1.722 -31.926 14.763 132 HD12 LEU 16 2HD1 LEU 16 2.886 -33.217 14.465 133 HD13 LEU 16 3HD1 LEU 16 2.330 -32.209 13.132 134 HD21 LEU 16 3HD2 LEU 16 3.086 -29.867 12.927 135 HD22 LEU 16 1HD2 LEU 16 4.226 -29.188 14.088 136 HD23 LEU 16 2HD2 LEU 16 2.548 -29.461 14.557 137 H MET 17 H MET 17 2.723 -32.453 18.319 138 HA MET 17 HA MET 17 0.270 -33.254 17.243 139 HB2 MET 17 2HB MET 17 -0.016 -34.642 19.207 140 HB3 MET 17 3HB MET 17 1.669 -34.671 18.714 141 HG2 MET 17 2HG MET 17 2.250 -33.124 20.485 142 HG3 MET 17 3HG MET 17 0.556 -32.994 20.954 143 HE1 MET 17 3HE MET 17 3.766 -35.232 20.904 144 HE2 MET 17 1HE MET 17 2.672 -36.160 19.879 145 HE3 MET 17 2HE MET 17 3.145 -36.787 21.458 146 H VAL 18 H VAL 18 0.947 -30.918 19.790 147 HA VAL 18 HA VAL 18 -1.796 -30.588 20.574 148 HB VAL 18 HB VAL 18 0.525 -28.714 21.100 149 HG11 VAL 18 1HG1 VAL 18 -0.787 -28.015 23.054 150 HG12 VAL 18 2HG1 VAL 18 -2.090 -29.099 22.567 151 HG13 VAL 18 3HG1 VAL 18 -1.660 -27.726 21.548 152 HG21 VAL 18 3HG2 VAL 18 0.827 -29.906 23.225 153 HG22 VAL 18 1HG2 VAL 18 1.092 -30.975 21.845 154 HG23 VAL 18 2HG2 VAL 18 -0.417 -31.064 22.755 155 H ARG 19 H ARG 19 0.450 -28.841 18.462 156 HA ARG 19 HA ARG 19 -1.328 -26.664 17.909 157 HB2 ARG 19 2HB ARG 19 1.200 -27.598 16.537 158 HB3 ARG 19 3HB ARG 19 0.346 -26.121 16.116 159 HG2 ARG 19 2HG ARG 19 1.418 -26.663 18.883 160 HG3 ARG 19 3HG ARG 19 2.356 -25.861 17.625 161 HD2 ARG 19 2HD ARG 19 1.366 -24.187 19.039 162 HD3 ARG 19 3HD ARG 19 0.584 -24.131 17.460 163 HE ARG 19 HE ARG 19 -0.752 -25.706 19.502 164 HH11 ARG 19 1HH1 ARG 19 -0.525 -22.672 17.890 165 HH12 ARG 19 2HH1 ARG 19 -2.127 -22.197 18.329 166 HH21 ARG 19 1HH2 ARG 19 -2.816 -25.082 20.056 167 HH22 ARG 19 2HH2 ARG 19 -3.412 -23.546 19.532 168 H THR 20 H THR 20 -0.997 -29.843 16.555 169 HA THR 20 HA THR 20 -2.592 -29.051 14.187 170 HB THR 20 HB THR 20 -1.944 -31.223 13.204 171 HG1 THR 20 HG1 THR 20 0.054 -31.640 15.098 172 HG21 THR 20 3HG2 THR 20 0.430 -30.701 12.812 173 HG22 THR 20 1HG2 THR 20 0.398 -29.568 14.165 174 HG23 THR 20 2HG2 THR 20 -0.572 -29.253 12.727 175 H GLY 21 H GLY 21 -2.629 -31.125 17.027 176 HA2 GLY 21 2HA GLY 21 -4.647 -31.965 17.985 177 HA3 GLY 21 3HA GLY 21 -5.405 -31.899 16.402 178 H LEU 22 H LEU 22 -2.413 -33.185 15.926 179 HA LEU 22 HA LEU 22 -3.409 -35.873 15.594 180 HB2 LEU 22 2HB LEU 22 -0.774 -34.514 15.089 181 HB3 LEU 22 3HB LEU 22 -0.891 -36.261 15.025 182 HG LEU 22 HG LEU 22 -2.463 -36.158 13.190 183 HD11 LEU 22 1HD1 LEU 22 -2.296 -33.154 13.440 184 HD12 LEU 22 2HD1 LEU 22 -3.705 -34.157 13.787 185 HD13 LEU 22 3HD1 LEU 22 -3.096 -34.032 12.137 186 HD21 LEU 22 3HD2 LEU 22 -0.091 -34.344 12.727 187 HD22 LEU 22 1HD2 LEU 22 -1.026 -35.156 11.469 188 HD23 LEU 22 2HD2 LEU 22 -0.097 -36.105 12.628 189 H GLY 23 H GLY 23 -1.984 -37.751 16.391 190 HA2 GLY 23 2HA GLY 23 -1.192 -37.296 19.208 191 HA3 GLY 23 3HA GLY 23 -1.819 -38.814 18.581 192 H ALA 24 H ALA 24 0.582 -38.637 20.030 193 HA ALA 24 HA ALA 24 2.952 -38.358 18.638 194 HB1 ALA 24 3HB ALA 24 2.336 -40.417 20.760 195 HB2 ALA 24 1HB ALA 24 2.825 -38.747 21.051 196 HB3 ALA 24 2HB ALA 24 3.943 -39.873 20.279 197 H ARG 25 H ARG 25 0.953 -41.301 18.898 198 HA ARG 25 HA ARG 25 2.660 -42.986 17.400 199 HB2 ARG 25 2HB ARG 25 0.770 -44.519 17.272 200 HB3 ARG 25 3HB ARG 25 0.877 -43.828 18.886 201 HG2 ARG 25 2HG ARG 25 -0.945 -42.323 18.423 202 HG3 ARG 25 3HG ARG 25 -0.999 -42.844 16.738 203 HD2 ARG 25 2HD ARG 25 -1.616 -45.106 17.467 204 HD3 ARG 25 3HD ARG 25 -1.570 -44.576 19.149 205 HE ARG 25 HE ARG 25 -3.348 -42.878 18.133 206 HH11 ARG 25 1HH1 ARG 25 -3.039 -46.275 17.649 207 HH12 ARG 25 2HH1 ARG 25 -4.743 -46.516 17.501 208 HH21 ARG 25 1HH2 ARG 25 -5.543 -43.206 17.920 209 HH22 ARG 25 2HH2 ARG 25 -6.139 -44.811 17.658 210 H GLN 26 H GLN 26 0.369 -40.586 16.414 211 HA GLN 26 HA GLN 26 0.062 -41.625 13.722 212 HB2 GLN 26 2HB GLN 26 -1.747 -40.402 15.018 213 HB3 GLN 26 3HB GLN 26 -0.820 -38.926 14.778 214 HG2 GLN 26 2HG GLN 26 -1.054 -39.140 12.372 215 HG3 GLN 26 3HG GLN 26 -1.916 -40.666 12.571 216 HE21 GLN 26 1HE2 GLN 26 -2.814 -38.215 11.289 217 HE22 GLN 26 2HE2 GLN 26 -4.240 -37.732 12.132 218 H ILE 27 H ILE 27 1.727 -38.929 15.324 219 HA ILE 27 HA ILE 27 2.781 -37.678 13.033 220 HB ILE 27 HB ILE 27 3.954 -37.802 15.824 221 HG12 ILE 27 2HG1 ILE 27 2.193 -35.711 14.505 222 HG13 ILE 27 3HG1 ILE 27 1.677 -36.853 15.743 223 HG21 ILE 27 1HG2 ILE 27 5.188 -35.763 15.198 224 HG22 ILE 27 2HG2 ILE 27 4.580 -35.908 13.549 225 HG23 ILE 27 3HG2 ILE 27 5.653 -37.145 14.204 226 HD11 ILE 27 3HD1 ILE 27 2.064 -34.682 16.712 227 HD12 ILE 27 1HD1 ILE 27 3.708 -34.654 16.075 228 HD13 ILE 27 2HD1 ILE 27 3.262 -35.826 17.315 229 H GLU 28 H GLU 28 4.310 -40.068 15.215 230 HA GLU 28 HA GLU 28 6.724 -40.313 13.829 231 HB2 GLU 28 2HB GLU 28 6.996 -42.468 15.004 232 HB3 GLU 28 3HB GLU 28 6.467 -41.179 16.073 233 HG2 GLU 28 2HG GLU 28 4.169 -42.037 15.956 234 HG3 GLU 28 3HG GLU 28 4.730 -43.352 14.923 235 H SER 29 H SER 29 3.626 -41.867 13.247 236 HA SER 29 HA SER 29 4.429 -43.784 11.354 237 HB2 SER 29 2HB SER 29 2.152 -43.731 12.314 238 HB3 SER 29 3HB SER 29 1.820 -42.229 11.452 239 HG SER 29 HG SER 29 2.256 -43.470 9.483 240 H TYR 30 H TYR 30 3.512 -40.371 10.952 241 HA TYR 30 HA TYR 30 3.810 -40.357 8.111 242 HB2 TYR 30 2HB TYR 30 3.849 -38.032 10.051 243 HB3 TYR 30 3HB TYR 30 3.689 -37.902 8.303 244 HD1 TYR 30 HD2 TYR 30 1.742 -39.987 7.651 245 HD2 TYR 30 HD1 TYR 30 1.841 -37.305 10.961 246 HE1 TYR 30 HE2 TYR 30 -0.702 -40.167 7.868 247 HE2 TYR 30 HE1 TYR 30 -0.599 -37.480 11.180 248 HH TYR 30 HH TYR 30 -2.443 -39.832 9.468 249 H ARG 31 H ARG 31 6.028 -39.875 10.761 250 HA ARG 31 HA ARG 31 8.124 -38.634 9.312 251 HB2 ARG 31 2HB ARG 31 8.245 -40.335 11.813 252 HB3 ARG 31 3HB ARG 31 9.592 -39.402 11.172 253 HG2 ARG 31 2HG ARG 31 8.130 -37.354 11.394 254 HG3 ARG 31 3HG ARG 31 6.998 -38.362 12.293 255 HD2 ARG 31 2HD ARG 31 9.883 -37.865 13.036 256 HD3 ARG 31 3HD ARG 31 8.490 -37.080 13.772 257 HE ARG 31 HE ARG 31 8.776 -40.000 13.907 258 HH11 ARG 31 1HH1 ARG 31 8.642 -36.937 15.483 259 HH12 ARG 31 2HH1 ARG 31 8.467 -37.636 17.056 260 HH21 ARG 31 1HH2 ARG 31 8.573 -40.878 15.945 261 HH22 ARG 31 2HH2 ARG 31 8.404 -39.827 17.312 262 H GLN 32 H GLN 32 6.883 -41.751 9.060 263 HA GLN 32 HA GLN 32 9.365 -43.045 8.303 264 HB2 GLN 32 2HB GLN 32 6.518 -44.045 8.059 265 HB3 GLN 32 3HB GLN 32 7.975 -45.015 7.876 266 HG2 GLN 32 2HG GLN 32 8.548 -44.583 10.223 267 HG3 GLN 32 3HG GLN 32 7.077 -43.629 10.400 268 HE21 GLN 32 1HE2 GLN 32 7.904 -46.028 11.817 269 HE22 GLN 32 2HE2 GLN 32 6.642 -47.187 11.569 270 H GLY 33 H GLY 33 7.210 -40.986 6.695 271 HA2 GLY 33 2HA GLY 33 8.433 -41.539 4.147 272 HA3 GLY 33 3HA GLY 33 6.769 -42.085 4.213 273 H ALA 34 H ALA 34 5.538 -40.040 5.617 274 HA ALA 34 HA ALA 34 5.114 -38.168 3.535 275 HB1 ALA 34 3HB ALA 34 3.562 -37.078 5.071 276 HB2 ALA 34 1HB ALA 34 4.214 -38.016 6.416 277 HB3 ALA 34 2HB ALA 34 3.357 -38.828 5.106 278 H TRP 35 H TRP 35 7.003 -37.981 6.506 279 HA TRP 35 HA TRP 35 7.584 -35.189 6.308 280 HB2 TRP 35 2HB TRP 35 8.537 -37.466 7.981 281 HB3 TRP 35 3HB TRP 35 9.606 -36.079 7.848 282 HD1 TRP 35 HD1 TRP 35 9.344 -35.267 10.309 283 HE1 TRP 35 HE1 TRP 35 7.426 -34.211 11.649 284 HE3 TRP 35 HE3 TRP 35 5.465 -36.142 7.067 285 HZ2 TRP 35 HZ2 TRP 35 4.662 -33.794 11.386 286 HZ3 TRP 35 HZ3 TRP 35 3.219 -35.371 7.698 287 HH2 TRP 35 HH2 TRP 35 2.825 -34.222 9.812 288 H ILE 36 H ILE 36 9.523 -34.181 5.654 289 HA ILE 36 HA ILE 36 11.296 -35.700 3.873 290 HB ILE 36 HB ILE 36 9.739 -33.244 3.005 291 HG12 ILE 36 2HG1 ILE 36 9.751 -36.075 1.910 292 HG13 ILE 36 3HG1 ILE 36 8.472 -35.374 2.895 293 HG21 ILE 36 1HG2 ILE 36 10.929 -33.429 0.869 294 HG22 ILE 36 2HG2 ILE 36 11.893 -34.757 1.516 295 HG23 ILE 36 3HG2 ILE 36 12.048 -33.139 2.201 296 HD11 ILE 36 3HD1 ILE 36 9.296 -34.447 0.152 297 HD12 ILE 36 1HD1 ILE 36 8.012 -33.746 1.137 298 HD13 ILE 36 2HD1 ILE 36 7.869 -35.402 0.548 299 H GLU 37 H GLU 37 13.377 -35.038 3.978 300 HA GLU 37 HA GLU 37 14.300 -33.284 5.939 301 HB2 GLU 37 2HB GLU 37 15.772 -34.074 3.411 302 HB3 GLU 37 3HB GLU 37 16.496 -33.480 4.897 303 HG2 GLU 37 2HG GLU 37 15.678 -35.487 6.076 304 HG3 GLU 37 3HG GLU 37 15.024 -36.090 4.554 305 H GLY 38 H GLY 38 14.718 -31.141 6.046 306 HA2 GLY 38 2HA GLY 38 15.122 -28.963 5.369 307 HA3 GLY 38 3HA GLY 38 15.136 -29.510 3.701 308 H VAL 39 H VAL 39 12.703 -30.461 3.220 309 HA VAL 39 HA VAL 39 11.135 -28.104 2.979 310 HB VAL 39 HB VAL 39 10.203 -30.933 2.457 311 HG11 VAL 39 1HG1 VAL 39 8.427 -29.278 2.409 312 HG12 VAL 39 2HG1 VAL 39 8.758 -29.857 0.778 313 HG13 VAL 39 3HG1 VAL 39 9.353 -28.277 1.289 314 HG21 VAL 39 3HG2 VAL 39 11.032 -30.679 0.173 315 HG22 VAL 39 1HG2 VAL 39 12.352 -30.561 1.337 316 HG23 VAL 39 2HG2 VAL 39 11.711 -29.101 0.579 317 H HIS 40 H HIS 40 10.322 -31.215 4.582 318 HA HIS 40 HA HIS 40 8.161 -29.846 6.018 319 HB2 HIS 40 2HB HIS 40 8.710 -32.718 5.362 320 HB3 HIS 40 3HB HIS 40 7.610 -32.323 6.675 321 HD1 HIS 40 HD1 HIS 40 8.000 -31.540 2.957 322 HD2 HIS 40 HD2 HIS 40 5.050 -31.952 5.852 323 HE1 HIS 40 HE1 HIS 40 5.826 -31.329 1.736 324 HE2 HIS 40 HE2 HIS 40 4.080 -31.844 3.460 325 H PHE 41 H PHE 41 11.350 -30.810 6.654 326 HA PHE 41 HA PHE 41 11.094 -29.890 9.351 327 HB2 PHE 41 2HB PHE 41 11.855 -31.864 10.535 328 HB3 PHE 41 3HB PHE 41 10.377 -32.239 9.663 329 HD1 PHE 41 HD2 PHE 41 14.059 -32.691 9.639 330 HD2 PHE 41 HD1 PHE 41 10.319 -33.979 8.054 331 HE1 PHE 41 HE2 PHE 41 15.159 -34.650 8.645 332 HE2 PHE 41 HE1 PHE 41 11.419 -35.945 7.061 333 HZ PHE 41 HZ PHE 41 13.842 -36.282 7.355 334 H LYS 42 H LYS 42 13.154 -29.562 10.414 335 HA LYS 42 HA LYS 42 15.480 -29.757 8.594 336 HB2 LYS 42 2HB LYS 42 16.309 -27.642 9.436 337 HB3 LYS 42 3HB LYS 42 14.675 -27.426 8.819 338 HG2 LYS 42 2HG LYS 42 13.780 -27.411 11.058 339 HG3 LYS 42 3HG LYS 42 15.369 -27.776 11.734 340 HD2 LYS 42 2HD LYS 42 16.212 -25.627 10.846 341 HD3 LYS 42 3HD LYS 42 14.598 -25.261 10.230 342 HE2 LYS 42 2HE LYS 42 13.708 -25.277 12.497 343 HE3 LYS 42 3HE LYS 42 15.285 -25.733 13.137 344 HZ1 LYS 42 3HZ LYS 42 14.854 -23.376 13.402 345 HZ2 LYS 42 1HZ LYS 42 14.669 -23.190 11.732 346 HZ3 LYS 42 2HZ LYS 42 16.171 -23.629 12.372 347 H ARG 43 H ARG 43 17.585 -29.880 9.646 348 HA ARG 43 HA ARG 43 17.438 -31.377 12.185 349 HB2 ARG 43 2HB ARG 43 18.360 -32.665 10.364 350 HB3 ARG 43 3HB ARG 43 19.493 -31.383 9.963 351 HG2 ARG 43 2HG ARG 43 20.617 -31.732 12.136 352 HG3 ARG 43 3HG ARG 43 19.512 -33.068 12.466 353 HD2 ARG 43 2HD ARG 43 20.363 -34.318 10.603 354 HD3 ARG 43 3HD ARG 43 21.319 -32.943 10.052 355 HE ARG 43 HE ARG 43 21.885 -34.139 12.672 356 HH11 ARG 43 1HH1 ARG 43 22.847 -33.507 9.425 357 HH12 ARG 43 2HH1 ARG 43 24.508 -33.868 9.736 358 HH21 ARG 43 1HH2 ARG 43 24.025 -34.609 13.050 359 HH22 ARG 43 2HH2 ARG 43 25.162 -34.490 11.754 360 H VAL 44 H VAL 44 18.017 -30.275 13.956 361 HA VAL 44 HA VAL 44 20.101 -28.187 13.728 362 HB VAL 44 HB VAL 44 17.794 -28.345 15.686 363 HG11 VAL 44 1HG1 VAL 44 19.987 -26.278 15.442 364 HG12 VAL 44 2HG1 VAL 44 19.737 -27.395 16.785 365 HG13 VAL 44 3HG1 VAL 44 18.555 -26.127 16.461 366 HG21 VAL 44 3HG2 VAL 44 17.005 -26.302 14.564 367 HG22 VAL 44 1HG2 VAL 44 17.094 -27.666 13.449 368 HG23 VAL 44 2HG2 VAL 44 18.342 -26.419 13.419 369 H SER 45 H SER 45 21.859 -28.303 15.011 370 HA SER 45 HA SER 45 22.292 -30.705 16.578 371 HB2 SER 45 2HB SER 45 24.622 -29.852 16.797 372 HB3 SER 45 3HB SER 45 24.093 -29.926 15.118 373 HG SER 45 HG SER 45 25.210 -27.925 15.966 374 HA PRO 46 HA PRO 46 21.568 -29.091 20.671 375 HB2 PRO 46 2HB PRO 46 24.179 -30.278 21.475 376 HB3 PRO 46 3HB PRO 46 22.565 -30.553 22.140 377 HG2 PRO 46 2HG PRO 46 23.740 -32.397 20.613 378 HG3 PRO 46 3HG PRO 46 21.998 -32.084 20.483 379 HD2 PRO 46 2HD PRO 46 24.227 -31.198 18.678 380 HD3 PRO 46 3HD PRO 46 22.598 -31.774 18.260 381 H SER 47 H SER 47 22.428 -27.588 22.303 382 HA SER 47 HA SER 47 23.815 -25.411 21.086 383 HB2 SER 47 2HB SER 47 22.082 -25.082 22.826 384 HB3 SER 47 3HB SER 47 23.150 -25.824 24.015 385 HG SER 47 HG SER 47 23.036 -23.301 23.404 386 H GLY 48 H GLY 48 25.939 -25.373 20.727 387 HA2 GLY 48 2HA GLY 48 28.196 -25.325 21.195 388 HA3 GLY 48 3HA GLY 48 27.827 -25.721 22.862 389 H GLU 49 H GLU 49 27.063 -28.090 23.143 390 HA GLU 49 HA GLU 49 29.245 -29.721 22.284 391 HB2 GLU 49 2HB GLU 49 26.722 -30.522 23.748 392 HB3 GLU 49 3HB GLU 49 28.173 -31.501 23.587 393 HG2 GLU 49 2HG GLU 49 29.416 -29.674 24.790 394 HG3 GLU 49 3HG GLU 49 27.852 -28.926 25.117 395 H LYS 50 H LYS 50 29.373 -30.509 20.280 396 HA LYS 50 HA LYS 50 27.029 -31.059 18.710 397 HB2 LYS 50 2HB LYS 50 28.685 -31.829 16.979 398 HB3 LYS 50 3HB LYS 50 28.860 -30.165 17.513 399 HG2 LYS 50 2HG LYS 50 30.734 -30.807 18.946 400 HG3 LYS 50 3HG LYS 50 30.550 -32.488 18.442 401 HD2 LYS 50 2HD LYS 50 32.363 -31.366 17.219 402 HD3 LYS 50 3HD LYS 50 31.066 -31.874 16.134 403 HE2 LYS 50 2HE LYS 50 30.163 -29.543 16.249 404 HE3 LYS 50 3HE LYS 50 31.586 -29.087 17.185 405 HZ1 LYS 50 3HZ LYS 50 31.802 -28.566 14.823 406 HZ2 LYS 50 1HZ LYS 50 31.641 -30.207 14.434 407 HZ3 LYS 50 2HZ LYS 50 32.979 -29.676 15.322 408 H THR 51 H THR 51 26.038 -32.652 20.039 409 HA THR 51 HA THR 51 27.203 -35.340 20.033 410 HB THR 51 HB THR 51 24.526 -34.435 21.135 411 HG1 THR 51 HG1 THR 51 25.712 -34.545 23.180 412 HG21 THR 51 3HG2 THR 51 24.649 -36.490 22.477 413 HG22 THR 51 1HG2 THR 51 26.155 -36.927 21.673 414 HG23 THR 51 2HG2 THR 51 24.654 -36.852 20.751 415 H LEU 52 H LEU 52 25.982 -37.172 19.141 416 HA LEU 52 HA LEU 52 25.127 -36.682 16.496 417 HB2 LEU 52 2HB LEU 52 24.784 -39.174 18.177 418 HB3 LEU 52 3HB LEU 52 24.486 -39.087 16.452 419 HG LEU 52 HG LEU 52 26.612 -40.100 16.715 420 HD11 LEU 52 1HD1 LEU 52 27.079 -37.200 16.038 421 HD12 LEU 52 2HD1 LEU 52 26.528 -38.453 14.926 422 HD13 LEU 52 3HD1 LEU 52 28.143 -38.547 15.627 423 HD21 LEU 52 3HD2 LEU 52 27.030 -39.463 19.040 424 HD22 LEU 52 1HD2 LEU 52 27.405 -37.818 18.526 425 HD23 LEU 52 2HD2 LEU 52 28.438 -39.159 18.022 426 H ARG 53 H ARG 53 23.313 -37.120 19.478 427 HA ARG 53 HA ARG 53 20.747 -37.391 18.358 428 HB2 ARG 53 2HB ARG 53 21.644 -36.321 21.040 429 HB3 ARG 53 3HB ARG 53 19.951 -36.543 20.612 430 HG2 ARG 53 2HG ARG 53 22.046 -38.713 20.711 431 HG3 ARG 53 3HG ARG 53 20.801 -38.415 21.926 432 HD2 ARG 53 2HD ARG 53 19.058 -38.922 20.329 433 HD3 ARG 53 3HD ARG 53 20.243 -39.084 19.034 434 HE ARG 53 HE ARG 53 20.718 -40.877 21.216 435 HH11 ARG 53 1HH1 ARG 53 18.805 -40.409 18.393 436 HH12 ARG 53 2HH1 ARG 53 18.672 -42.100 18.065 437 HH21 ARG 53 1HH2 ARG 53 20.497 -43.047 20.820 438 HH22 ARG 53 2HH2 ARG 53 19.599 -43.580 19.441 439 H GLY 54 H GLY 54 20.766 -35.890 16.616 440 HA2 GLY 54 2HA GLY 54 20.792 -33.044 17.161 441 HA3 GLY 54 3HA GLY 54 20.500 -33.809 15.608 442 H THR 55 H THR 55 19.104 -31.709 17.433 443 HA THR 55 HA THR 55 16.476 -32.802 17.879 444 HB THR 55 HB THR 55 17.345 -29.895 17.874 445 HG1 THR 55 HG1 THR 55 18.227 -30.351 19.734 446 HG21 THR 55 3HG2 THR 55 15.346 -29.550 19.284 447 HG22 THR 55 1HG2 THR 55 14.900 -31.240 19.046 448 HG23 THR 55 2HG2 THR 55 14.925 -30.131 17.674 449 H THR 56 H THR 56 14.940 -33.050 16.364 450 HA THR 56 HA THR 56 15.270 -31.653 13.787 451 HB THR 56 HB THR 56 13.705 -34.165 14.458 452 HG1 THR 56 HG1 THR 56 15.984 -34.449 14.320 453 HG21 THR 56 3HG2 THR 56 14.095 -32.826 11.772 454 HG22 THR 56 1HG2 THR 56 12.586 -32.867 12.685 455 HG23 THR 56 2HG2 THR 56 13.279 -34.362 12.060 456 H TRP 57 H TRP 57 14.038 -29.922 13.483 457 HA TRP 57 HA TRP 57 11.493 -29.650 14.930 458 HB2 TRP 57 2HB TRP 57 13.076 -27.576 13.389 459 HB3 TRP 57 3HB TRP 57 11.637 -27.266 14.355 460 HD1 TRP 57 HD1 TRP 57 15.318 -28.282 14.752 461 HE1 TRP 57 HE1 TRP 57 16.093 -27.638 17.119 462 HE3 TRP 57 HE3 TRP 57 10.837 -26.791 16.678 463 HZ2 TRP 57 HZ2 TRP 57 14.947 -26.642 19.501 464 HZ3 TRP 57 HZ3 TRP 57 10.752 -26.011 19.013 465 HH2 TRP 57 HH2 TRP 57 12.766 -25.939 20.394 466 H TYR 58 H TYR 58 9.557 -29.710 13.897 467 HA TYR 58 HA TYR 58 9.539 -30.380 11.063 468 HB2 TYR 58 2HB TYR 58 7.165 -30.241 12.930 469 HB3 TYR 58 3HB TYR 58 7.279 -31.104 11.400 470 HD1 TYR 58 HD2 TYR 58 10.125 -32.249 12.018 471 HD2 TYR 58 HD1 TYR 58 6.474 -32.158 14.209 472 HE1 TYR 58 HE2 TYR 58 10.810 -34.267 13.239 473 HE2 TYR 58 HE1 TYR 58 7.153 -34.179 15.426 474 HH TYR 58 HH TYR 58 10.218 -35.260 15.597 475 H ASN 59 H ASN 59 8.442 -29.280 9.464 476 HA ASN 59 HA ASN 59 8.059 -26.434 9.870 477 HB2 ASN 59 2HB ASN 59 9.229 -27.449 7.868 478 HB3 ASN 59 3HB ASN 59 7.664 -28.048 7.334 479 HD21 ASN 59 1HD2 ASN 59 9.451 -26.201 6.011 480 HD22 ASN 59 2HD2 ASN 59 8.559 -24.739 5.783 481 H TYR 60 H TYR 60 6.179 -26.021 10.950 482 HA TYR 60 HA TYR 60 3.832 -27.501 10.884 483 HB2 TYR 60 2HB TYR 60 4.378 -25.873 12.641 484 HB3 TYR 60 3HB TYR 60 4.139 -24.553 11.505 485 HD1 TYR 60 HD1 TYR 60 2.327 -27.448 13.015 486 HD2 TYR 60 HD2 TYR 60 2.044 -23.519 11.397 487 HE1 TYR 60 HE1 TYR 60 -0.039 -27.358 13.662 488 HE2 TYR 60 HE2 TYR 60 -0.328 -23.423 12.041 489 HH TYR 60 HH TYR 60 -1.768 -25.759 14.116 490 HA PRO 61 HA PRO 61 2.074 -24.213 7.515 491 HB2 PRO 61 2HB PRO 61 4.770 -23.918 6.222 492 HB3 PRO 61 3HB PRO 61 3.407 -22.790 6.243 493 HG2 PRO 61 2HG PRO 61 5.475 -22.387 7.847 494 HG3 PRO 61 3HG PRO 61 3.823 -22.129 8.445 495 HD2 PRO 61 2HD PRO 61 5.708 -24.385 8.989 496 HD3 PRO 61 3HD PRO 61 4.506 -23.634 10.057 497 H GLU 62 H GLU 62 4.869 -26.323 6.748 498 HA GLU 62 HA GLU 62 3.767 -27.387 4.354 499 HB2 GLU 62 2HB GLU 62 5.938 -28.375 6.207 500 HB3 GLU 62 3HB GLU 62 5.477 -29.250 4.752 501 HG2 GLU 62 2HG GLU 62 6.517 -26.420 4.848 502 HG3 GLU 62 3HG GLU 62 7.446 -27.849 4.395 503 H ILE 63 H ILE 63 3.698 -28.502 7.720 504 HA ILE 63 HA ILE 63 2.363 -30.956 7.220 505 HB ILE 63 HB ILE 63 2.399 -29.270 9.738 506 HG12 ILE 63 2HG1 ILE 63 4.093 -31.652 8.921 507 HG13 ILE 63 3HG1 ILE 63 4.632 -29.977 8.902 508 HG21 ILE 63 1HG2 ILE 63 0.537 -30.847 9.795 509 HG22 ILE 63 2HG2 ILE 63 1.795 -31.355 10.920 510 HG23 ILE 63 3HG2 ILE 63 1.619 -32.174 9.367 511 HD11 ILE 63 3HD1 ILE 63 5.461 -31.148 10.848 512 HD12 ILE 63 1HD1 ILE 63 3.813 -31.545 11.334 513 HD13 ILE 63 2HD1 ILE 63 4.348 -29.863 11.320 514 H ASN 64 H ASN 64 1.209 -27.671 7.789 515 HA ASN 64 HA ASN 64 -1.555 -28.167 7.917 516 HB2 ASN 64 2HB ASN 64 -0.550 -25.955 8.371 517 HB3 ASN 64 3HB ASN 64 -0.108 -25.807 6.674 518 HD21 ASN 64 1HD2 ASN 64 -1.313 -24.041 6.203 519 HD22 ASN 64 2HD2 ASN 64 -3.038 -24.010 6.250 520 H LYS 65 H LYS 65 0.588 -27.650 5.127 521 HA LYS 65 HA LYS 65 -1.385 -27.943 3.117 522 HB2 LYS 65 2HB LYS 65 0.710 -26.880 2.602 523 HB3 LYS 65 3HB LYS 65 1.616 -28.313 3.063 524 HG2 LYS 65 2HG LYS 65 0.943 -29.493 1.133 525 HG3 LYS 65 3HG LYS 65 -0.337 -28.332 0.774 526 HD2 LYS 65 2HD LYS 65 1.661 -28.127 -0.708 527 HD3 LYS 65 3HD LYS 65 1.267 -26.650 0.168 528 HE2 LYS 65 2HE LYS 65 3.664 -27.014 0.182 529 HE3 LYS 65 3HE LYS 65 3.020 -27.174 1.814 530 HZ1 LYS 65 3HZ LYS 65 4.627 -28.896 1.314 531 HZ2 LYS 65 1HZ LYS 65 3.707 -29.426 -0.003 532 HZ3 LYS 65 2HZ LYS 65 3.100 -29.573 1.568 533 H PHE 66 H PHE 66 0.436 -30.291 4.967 534 HA PHE 66 HA PHE 66 -0.299 -32.577 3.416 535 HB2 PHE 66 2HB PHE 66 1.577 -32.727 4.940 536 HB3 PHE 66 3HB PHE 66 0.555 -32.302 6.308 537 HD1 PHE 66 HD2 PHE 66 1.119 -34.928 3.735 538 HD2 PHE 66 HD1 PHE 66 -0.554 -33.975 7.540 539 HE1 PHE 66 HE2 PHE 66 0.682 -37.312 4.143 540 HE2 PHE 66 HE1 PHE 66 -0.988 -36.361 7.945 541 HZ PHE 66 HZ PHE 66 -0.368 -38.035 6.245 542 H ILE 67 H ILE 67 -1.564 -31.252 6.483 543 HA ILE 67 HA ILE 67 -3.767 -32.933 6.804 544 HB ILE 67 HB ILE 67 -3.525 -30.022 7.611 545 HG12 ILE 67 2HG1 ILE 67 -2.922 -32.559 9.162 546 HG13 ILE 67 3HG1 ILE 67 -1.721 -31.449 8.511 547 HG21 ILE 67 1HG2 ILE 67 -5.397 -32.158 8.639 548 HG22 ILE 67 2HG2 ILE 67 -5.851 -30.759 7.666 549 HG23 ILE 67 3HG2 ILE 67 -5.231 -30.530 9.300 550 HD11 ILE 67 3HD1 ILE 67 -2.547 -29.693 10.004 551 HD12 ILE 67 1HD1 ILE 67 -2.012 -31.120 10.890 552 HD13 ILE 67 2HD1 ILE 67 -3.735 -30.819 10.663 553 H ARG 68 H ARG 68 -3.334 -30.161 4.728 554 HA ARG 68 HA ARG 68 -5.867 -29.447 3.961 555 HB2 ARG 68 2HB ARG 68 -3.847 -28.392 3.068 556 HB3 ARG 68 3HB ARG 68 -3.444 -29.858 2.191 557 HG2 ARG 68 2HG ARG 68 -4.324 -28.451 0.561 558 HG3 ARG 68 3HG ARG 68 -5.670 -29.516 0.957 559 HD2 ARG 68 2HD ARG 68 -5.272 -26.750 2.102 560 HD3 ARG 68 3HD ARG 68 -6.308 -27.120 0.728 561 HE ARG 68 HE ARG 68 -7.592 -28.553 2.325 562 HH11 ARG 68 1HH1 ARG 68 -5.673 -25.943 3.518 563 HH12 ARG 68 2HH1 ARG 68 -6.719 -25.659 4.865 564 HH21 ARG 68 1HH2 ARG 68 -8.905 -28.179 4.062 565 HH22 ARG 68 2HH2 ARG 68 -8.491 -26.940 5.199 566 H ASP 69 H ASP 69 -3.945 -32.049 2.432 567 HA ASP 69 HA ASP 69 -5.841 -32.965 0.632 568 HB2 ASP 69 2HB ASP 69 -3.504 -33.689 0.587 569 HB3 ASP 69 3HB ASP 69 -3.728 -34.573 2.093 570 H SER 70 H SER 70 -5.275 -34.097 3.964 571 HA SER 70 HA SER 70 -7.257 -36.094 3.971 572 HB2 SER 70 2HB SER 70 -6.122 -34.512 6.294 573 HB3 SER 70 3HB SER 70 -7.097 -35.974 6.451 574 HG SER 70 HG SER 70 -5.239 -36.672 4.808 575 H LEU 71 H LEU 71 -7.419 -32.778 5.305 576 HA LEU 71 HA LEU 71 -9.997 -32.978 6.346 577 HB2 LEU 71 2HB LEU 71 -8.378 -31.217 6.929 578 HB3 LEU 71 3HB LEU 71 -8.598 -30.496 5.346 579 HG LEU 71 HG LEU 71 -10.975 -30.047 5.894 580 HD11 LEU 71 1HD1 LEU 71 -10.248 -31.075 8.639 581 HD12 LEU 71 2HD1 LEU 71 -11.348 -31.848 7.498 582 HD13 LEU 71 3HD1 LEU 71 -11.763 -30.284 8.196 583 HD21 LEU 71 3HD2 LEU 71 -10.575 -28.233 7.470 584 HD22 LEU 71 1HD2 LEU 71 -9.282 -28.324 6.272 585 HD23 LEU 71 2HD2 LEU 71 -9.017 -28.937 7.905 586 H GLU 72 H GLU 72 -8.995 -32.102 3.063 587 HA GLU 72 HA GLU 72 -11.478 -31.007 2.253 588 HB2 GLU 72 2HB GLU 72 -9.331 -32.271 0.539 589 HB3 GLU 72 3HB GLU 72 -10.650 -31.270 -0.050 590 HG2 GLU 72 2HG GLU 72 -8.376 -30.410 1.731 591 HG3 GLU 72 3HG GLU 72 -8.628 -29.971 0.047 592 H HIS 73 H HIS 73 -10.113 -34.256 1.461 593 HA HIS 73 HA HIS 73 -12.833 -35.092 0.731 594 HB2 HIS 73 2HB HIS 73 -11.783 -37.078 -0.301 595 HB3 HIS 73 3HB HIS 73 -11.199 -35.563 -0.968 596 HD1 HIS 73 HD1 HIS 73 -10.113 -38.439 1.201 597 HD2 HIS 73 HD2 HIS 73 -8.471 -35.166 -0.768 598 HE1 HIS 73 HE1 HIS 73 -7.625 -38.754 1.325 599 HE2 HIS 73 HE2 HIS 73 -6.654 -36.706 0.240 600 H HIS 74 H HIS 74 -11.495 -34.914 3.541 601 HA HIS 74 HA HIS 74 -12.995 -37.290 4.461 602 HB2 HIS 74 2HB HIS 74 -10.512 -36.094 5.731 603 HB3 HIS 74 3HB HIS 74 -11.578 -37.222 6.559 604 HD1 HIS 74 HD1 HIS 74 -11.616 -39.677 5.670 605 HD2 HIS 74 HD2 HIS 74 -8.720 -37.250 3.952 606 HE1 HIS 74 HE1 HIS 74 -10.023 -41.240 4.538 607 HE2 HIS 74 HE2 HIS 74 -8.146 -39.766 3.756 608 H HIS 75 H HIS 75 -13.659 -36.830 6.923 609 HA HIS 75 HA HIS 75 -14.408 -33.991 7.190 610 HB2 HIS 75 2HB HIS 75 -16.277 -36.332 7.641 611 HB3 HIS 75 3HB HIS 75 -16.651 -34.643 7.983 612 HD1 HIS 75 HD1 HIS 75 -15.391 -33.498 5.311 613 HD2 HIS 75 HD2 HIS 75 -18.093 -36.649 5.570 614 HE1 HIS 75 HE1 HIS 75 -16.521 -33.603 3.079 615 HE2 HIS 75 HE2 HIS 75 -18.243 -35.410 3.302 616 H HIS 76 H HIS 76 -13.021 -33.507 8.798 617 HA HIS 76 HA HIS 76 -12.645 -35.230 11.080 618 HB2 HIS 76 2HB HIS 76 -10.770 -33.909 10.222 619 HB3 HIS 76 3HB HIS 76 -11.650 -32.419 10.537 620 HD1 HIS 76 HD1 HIS 76 -10.778 -31.298 12.551 621 HD2 HIS 76 HD2 HIS 76 -10.596 -35.433 12.916 622 HE1 HIS 76 HE1 HIS 76 -9.792 -31.729 14.814 623 HE2 HIS 76 HE2 HIS 76 -9.903 -34.221 15.090 624 H HIS 77 H HIS 77 -14.911 -35.294 11.690 625 HA HIS 77 HA HIS 77 -16.218 -32.968 12.724 626 HB2 HIS 77 2HB HIS 77 -17.577 -34.794 11.932 627 HB3 HIS 77 3HB HIS 77 -16.802 -35.919 13.042 628 HD1 HIS 77 HD1 HIS 77 -17.620 -35.963 15.455 629 HD2 HIS 77 HD2 HIS 77 -19.516 -33.081 13.135 630 HE1 HIS 77 HE1 HIS 77 -19.559 -35.165 16.827 631 HE2 HIS 77 HE2 HIS 77 -20.773 -33.531 15.354 632 H HIS 78 H HIS 78 -14.985 -31.981 14.278 633 HA HIS 78 HA HIS 78 -14.308 -31.459 16.372 634 HB2 HIS 78 2HB HIS 78 -16.509 -32.395 17.025 635 HB3 HIS 78 3HB HIS 78 -15.760 -33.973 17.240 636 HD1 HIS 78 HD1 HIS 78 -16.004 -30.578 18.798 637 HD2 HIS 78 HD2 HIS 78 -14.281 -34.275 19.603 638 HE1 HIS 78 HE1 HIS 78 -15.259 -30.467 21.191 639 HE2 HIS 78 HE2 HIS 78 -14.021 -32.620 21.576 Start of MODEL 15 1 H1 MET 1 1H MET 1 5.150 1.812 5.429 2 H2 MET 1 2H MET 1 4.693 1.549 7.039 3 H3 MET 1 3H MET 1 4.409 3.048 6.313 4 HA MET 1 HA MET 1 2.371 1.756 6.474 5 HB2 MET 1 2HB MET 1 3.405 2.112 3.647 6 HB3 MET 1 3HB MET 1 1.717 1.882 4.077 7 HG2 MET 1 2HG MET 1 1.715 3.972 5.309 8 HG3 MET 1 3HG MET 1 3.429 4.197 4.962 9 HE1 MET 1 3HE MET 1 -0.202 4.103 3.495 10 HE2 MET 1 1HE MET 1 0.588 2.832 2.562 11 HE3 MET 1 2HE MET 1 0.091 4.328 1.771 12 H ALA 2 H ALA 2 4.918 -0.185 6.193 13 HA ALA 2 HA ALA 2 3.303 -2.526 5.564 14 HB1 ALA 2 3HB ALA 2 4.218 -1.862 3.393 15 HB2 ALA 2 1HB ALA 2 4.890 -3.402 3.931 16 HB3 ALA 2 2HB ALA 2 5.850 -1.928 4.058 17 H GLN 3 H GLN 3 4.186 -4.503 6.330 18 HA GLN 3 HA GLN 3 6.748 -4.605 7.631 19 HB2 GLN 3 2HB GLN 3 5.460 -3.418 9.349 20 HB3 GLN 3 3HB GLN 3 4.250 -4.693 9.342 21 HG2 GLN 3 2HG GLN 3 5.840 -6.276 10.231 22 HG3 GLN 3 3HG GLN 3 7.141 -5.092 10.110 23 HE21 GLN 3 1HE2 GLN 3 4.301 -6.056 11.864 24 HE22 GLN 3 2HE2 GLN 3 4.552 -5.025 13.227 25 H ILE 4 H ILE 4 7.497 -6.658 7.661 26 HA ILE 4 HA ILE 4 5.789 -8.761 6.604 27 HB ILE 4 HB ILE 4 8.728 -8.851 7.330 28 HG12 ILE 4 2HG1 ILE 4 8.279 -7.194 5.574 29 HG13 ILE 4 3HG1 ILE 4 9.136 -8.583 4.916 30 HG21 ILE 4 1HG2 ILE 4 7.737 -11.071 7.274 31 HG22 ILE 4 2HG2 ILE 4 8.794 -10.844 5.881 32 HG23 ILE 4 3HG2 ILE 4 7.044 -10.746 5.685 33 HD11 ILE 4 3HD1 ILE 4 7.000 -9.447 4.043 34 HD12 ILE 4 1HD1 ILE 4 7.423 -7.867 3.387 35 HD13 ILE 4 2HD1 ILE 4 6.194 -7.998 4.645 36 H ILE 5 H ILE 5 5.037 -10.525 7.692 37 HA ILE 5 HA ILE 5 5.624 -10.691 10.584 38 HB ILE 5 HB ILE 5 3.209 -11.666 9.036 39 HG12 ILE 5 2HG1 ILE 5 2.013 -10.127 10.696 40 HG13 ILE 5 3HG1 ILE 5 3.600 -9.494 11.115 41 HG21 ILE 5 1HG2 ILE 5 2.305 -12.450 11.183 42 HG22 ILE 5 2HG2 ILE 5 3.829 -12.040 11.973 43 HG23 ILE 5 3HG2 ILE 5 3.786 -13.306 10.746 44 HD11 ILE 5 3HD1 ILE 5 2.459 -8.052 9.541 45 HD12 ILE 5 1HD1 ILE 5 2.309 -9.386 8.397 46 HD13 ILE 5 2HD1 ILE 5 3.903 -8.750 8.809 47 H PHE 6 H PHE 6 7.132 -12.204 11.018 48 HA PHE 6 HA PHE 6 6.836 -14.839 9.720 49 HB2 PHE 6 2HB PHE 6 9.273 -13.536 10.932 50 HB3 PHE 6 3HB PHE 6 9.202 -15.248 10.532 51 HD1 PHE 6 HD2 PHE 6 7.996 -15.473 7.995 52 HD2 PHE 6 HD1 PHE 6 10.560 -12.373 9.400 53 HE1 PHE 6 HE2 PHE 6 8.673 -14.986 5.679 54 HE2 PHE 6 HE1 PHE 6 11.243 -11.885 7.084 55 HZ PHE 6 HZ PHE 6 10.304 -13.195 5.222 56 H ASN 7 H ASN 7 5.246 -15.616 11.112 57 HA ASN 7 HA ASN 7 5.699 -15.725 13.957 58 HB2 ASN 7 2HB ASN 7 3.630 -17.157 13.945 59 HB3 ASN 7 3HB ASN 7 3.427 -15.563 13.231 60 HD21 ASN 7 1HD2 ASN 7 3.363 -18.947 12.693 61 HD22 ASN 7 2HD2 ASN 7 2.826 -18.891 11.053 62 H GLU 8 H GLU 8 7.901 -16.679 13.439 63 HA GLU 8 HA GLU 8 8.055 -19.406 12.575 64 HB2 GLU 8 2HB GLU 8 10.118 -17.589 13.826 65 HB3 GLU 8 3HB GLU 8 10.461 -19.201 13.218 66 HG2 GLU 8 2HG GLU 8 9.783 -18.495 10.969 67 HG3 GLU 8 3HG GLU 8 9.466 -16.870 11.585 68 H GLU 9 H GLU 9 6.560 -20.328 14.165 69 HA GLU 9 HA GLU 9 7.495 -20.588 16.892 70 HB2 GLU 9 2HB GLU 9 5.219 -21.999 15.475 71 HB3 GLU 9 3HB GLU 9 5.521 -22.019 17.206 72 HG2 GLU 9 2HG GLU 9 4.879 -19.551 15.598 73 HG3 GLU 9 3HG GLU 9 3.711 -20.478 16.533 74 H TRP 10 H TRP 10 9.610 -21.498 16.260 75 HA TRP 10 HA TRP 10 9.728 -24.227 15.323 76 HB2 TRP 10 2HB TRP 10 11.864 -22.516 16.641 77 HB3 TRP 10 3HB TRP 10 12.141 -24.084 15.894 78 HD1 TRP 10 HD1 TRP 10 11.373 -20.434 14.984 79 HE1 TRP 10 HE1 TRP 10 11.961 -20.070 12.502 80 HE3 TRP 10 HE3 TRP 10 12.396 -25.273 13.668 81 HZ2 TRP 10 HZ2 TRP 10 12.750 -21.628 10.287 82 HZ3 TRP 10 HZ3 TRP 10 13.059 -25.746 11.347 83 HH2 TRP 10 HH2 TRP 10 13.233 -23.960 9.692 84 H MET 11 H MET 11 9.496 -26.036 16.558 85 HA MET 11 HA MET 11 9.947 -25.929 19.440 86 HB2 MET 11 2HB MET 11 7.657 -26.645 19.985 87 HB3 MET 11 3HB MET 11 7.685 -25.056 19.234 88 HG2 MET 11 2HG MET 11 7.110 -26.162 17.060 89 HG3 MET 11 3HG MET 11 6.893 -27.667 17.955 90 HE1 MET 11 3HE MET 11 5.647 -23.982 17.468 91 HE2 MET 11 1HE MET 11 6.026 -24.035 19.193 92 HE3 MET 11 2HE MET 11 4.353 -23.883 18.660 93 H VAL 12 H VAL 12 9.608 -28.039 20.515 94 HA VAL 12 HA VAL 12 10.413 -30.273 18.848 95 HB VAL 12 HB VAL 12 10.574 -31.553 20.914 96 HG11 VAL 12 1HG1 VAL 12 11.722 -28.772 21.177 97 HG12 VAL 12 2HG1 VAL 12 12.463 -30.148 20.356 98 HG13 VAL 12 3HG1 VAL 12 12.245 -30.176 22.107 99 HG21 VAL 12 3HG2 VAL 12 8.604 -30.717 22.077 100 HG22 VAL 12 1HG2 VAL 12 9.361 -29.135 22.266 101 HG23 VAL 12 2HG2 VAL 12 10.031 -30.539 23.096 102 H GLU 13 H GLU 13 9.237 -32.484 19.573 103 HA GLU 13 HA GLU 13 6.709 -32.350 18.308 104 HB2 GLU 13 2HB GLU 13 8.297 -34.303 18.286 105 HB3 GLU 13 3HB GLU 13 7.786 -34.658 19.927 106 HG2 GLU 13 2HG GLU 13 5.569 -35.141 19.229 107 HG3 GLU 13 3HG GLU 13 5.872 -34.511 17.610 108 H LYS 14 H LYS 14 7.636 -32.718 21.714 109 HA LYS 14 HA LYS 14 5.124 -33.220 22.825 110 HB2 LYS 14 2HB LYS 14 7.449 -33.175 23.961 111 HB3 LYS 14 3HB LYS 14 7.176 -31.451 24.162 112 HG2 LYS 14 2HG LYS 14 5.212 -33.476 25.182 113 HG3 LYS 14 3HG LYS 14 6.625 -32.999 26.123 114 HD2 LYS 14 2HD LYS 14 4.576 -31.061 25.051 115 HD3 LYS 14 3HD LYS 14 4.518 -31.745 26.676 116 HE2 LYS 14 2HE LYS 14 6.731 -30.752 27.140 117 HE3 LYS 14 3HE LYS 14 6.737 -30.040 25.525 118 HZ1 LYS 14 3HZ LYS 14 4.749 -28.788 26.124 119 HZ2 LYS 14 1HZ LYS 14 6.027 -28.439 27.172 120 HZ3 LYS 14 2HZ LYS 14 4.773 -29.451 27.676 121 H ALA 15 H ALA 15 6.677 -30.085 22.141 122 HA ALA 15 HA ALA 15 4.479 -28.486 22.973 123 HB1 ALA 15 3HB ALA 15 5.625 -26.658 21.830 124 HB2 ALA 15 1HB ALA 15 6.692 -27.811 21.029 125 HB3 ALA 15 2HB ALA 15 6.766 -27.612 22.778 126 H LEU 16 H LEU 16 5.478 -29.792 19.843 127 HA LEU 16 HA LEU 16 3.691 -28.476 18.174 128 HB2 LEU 16 2HB LEU 16 5.661 -29.925 17.546 129 HB3 LEU 16 3HB LEU 16 4.654 -31.324 17.841 130 HG LEU 16 HG LEU 16 4.961 -30.587 15.419 131 HD11 LEU 16 1HD1 LEU 16 2.123 -30.848 16.419 132 HD12 LEU 16 2HD1 LEU 16 3.232 -32.183 16.107 133 HD13 LEU 16 3HD1 LEU 16 2.692 -31.159 14.778 134 HD21 LEU 16 3HD2 LEU 16 4.705 -28.188 15.753 135 HD22 LEU 16 1HD2 LEU 16 3.036 -28.420 16.281 136 HD23 LEU 16 2HD2 LEU 16 3.498 -28.790 14.618 137 H MET 17 H MET 17 3.251 -31.607 19.852 138 HA MET 17 HA MET 17 0.642 -32.087 18.876 139 HB2 MET 17 2HB MET 17 0.441 -33.762 20.643 140 HB3 MET 17 3HB MET 17 2.006 -33.876 19.857 141 HG2 MET 17 2HG MET 17 3.027 -32.686 21.735 142 HG3 MET 17 3HG MET 17 1.455 -32.589 22.525 143 HE1 MET 17 3HE MET 17 3.666 -36.564 21.705 144 HE2 MET 17 1HE MET 17 4.288 -34.983 21.231 145 HE3 MET 17 2HE MET 17 2.853 -35.639 20.440 146 H VAL 18 H VAL 18 1.804 -30.168 21.565 147 HA VAL 18 HA VAL 18 -0.741 -29.771 22.821 148 HB VAL 18 HB VAL 18 1.849 -28.214 23.012 149 HG11 VAL 18 1HG1 VAL 18 0.913 -27.136 25.005 150 HG12 VAL 18 2HG1 VAL 18 -0.632 -27.935 24.717 151 HG13 VAL 18 3HG1 VAL 18 -0.028 -26.743 23.566 152 HG21 VAL 18 3HG2 VAL 18 1.952 -30.512 23.870 153 HG22 VAL 18 1HG2 VAL 18 0.567 -30.186 24.914 154 HG23 VAL 18 2HG2 VAL 18 2.089 -29.333 25.177 155 H ARG 19 H ARG 19 1.154 -27.957 20.447 156 HA ARG 19 HA ARG 19 -0.592 -25.702 20.292 157 HB2 ARG 19 2HB ARG 19 1.445 -26.739 18.308 158 HB3 ARG 19 3HB ARG 19 0.673 -25.163 18.230 159 HG2 ARG 19 2HG ARG 19 2.368 -26.057 20.550 160 HG3 ARG 19 3HG ARG 19 3.007 -25.204 19.149 161 HD2 ARG 19 2HD ARG 19 1.259 -23.408 19.652 162 HD3 ARG 19 3HD ARG 19 1.054 -24.210 21.211 163 HE ARG 19 HE ARG 19 3.395 -23.733 21.666 164 HH11 ARG 19 1HH1 ARG 19 1.888 -21.939 19.126 165 HH12 ARG 19 2HH1 ARG 19 3.131 -20.735 19.105 166 HH21 ARG 19 1HH2 ARG 19 4.979 -22.162 21.604 167 HH22 ARG 19 2HH2 ARG 19 4.840 -20.857 20.475 168 H THR 20 H THR 20 -0.339 -28.717 18.460 169 HA THR 20 HA THR 20 -2.322 -27.824 16.499 170 HB THR 20 HB THR 20 -1.803 -29.902 15.295 171 HG1 THR 20 HG1 THR 20 0.324 -30.599 16.927 172 HG21 THR 20 3HG2 THR 20 -0.368 -27.934 14.910 173 HG22 THR 20 1HG2 THR 20 0.538 -29.438 14.745 174 HG23 THR 20 2HG2 THR 20 0.702 -28.466 16.207 175 H GLY 21 H GLY 21 -2.079 -30.051 19.203 176 HA2 GLY 21 2HA GLY 21 -3.909 -30.995 20.347 177 HA3 GLY 21 3HA GLY 21 -4.933 -30.663 18.959 178 H LEU 22 H LEU 22 -2.218 -32.012 17.702 179 HA LEU 22 HA LEU 22 -3.446 -34.560 17.226 180 HB2 LEU 22 2HB LEU 22 -0.810 -33.312 16.508 181 HB3 LEU 22 3HB LEU 22 -1.050 -35.030 16.266 182 HG LEU 22 HG LEU 22 -2.922 -34.571 14.745 183 HD11 LEU 22 1HD1 LEU 22 -2.239 -31.659 15.158 184 HD12 LEU 22 2HD1 LEU 22 -3.723 -32.465 15.666 185 HD13 LEU 22 3HD1 LEU 22 -3.357 -32.293 13.950 186 HD21 LEU 22 3HD2 LEU 22 -0.663 -34.811 13.852 187 HD22 LEU 22 1HD2 LEU 22 -0.396 -33.077 14.030 188 HD23 LEU 22 2HD2 LEU 22 -1.605 -33.673 12.893 189 H GLY 23 H GLY 23 -2.561 -36.641 17.783 190 HA2 GLY 23 2HA GLY 23 -1.172 -36.658 20.386 191 HA3 GLY 23 3HA GLY 23 -2.136 -37.974 19.730 192 H ALA 24 H ALA 24 0.414 -38.408 20.766 193 HA ALA 24 HA ALA 24 2.542 -38.279 18.953 194 HB1 ALA 24 3HB ALA 24 2.069 -40.331 21.117 195 HB2 ALA 24 1HB ALA 24 2.832 -38.757 21.333 196 HB3 ALA 24 2HB ALA 24 3.614 -39.986 20.339 197 H ARG 25 H ARG 25 0.126 -40.825 19.455 198 HA ARG 25 HA ARG 25 1.075 -42.765 17.689 199 HB2 ARG 25 2HB ARG 25 -1.232 -43.597 17.605 200 HB3 ARG 25 3HB ARG 25 -0.789 -43.147 19.246 201 HG2 ARG 25 2HG ARG 25 -2.012 -41.041 19.010 202 HG3 ARG 25 3HG ARG 25 -2.452 -41.475 17.358 203 HD2 ARG 25 2HD ARG 25 -3.670 -43.436 18.212 204 HD3 ARG 25 3HD ARG 25 -3.237 -42.981 19.860 205 HE ARG 25 HE ARG 25 -4.704 -41.018 18.280 206 HH11 ARG 25 1HH1 ARG 25 -4.788 -43.450 20.708 207 HH12 ARG 25 2HH1 ARG 25 -6.291 -42.915 21.366 208 HH21 ARG 25 1HH2 ARG 25 -6.644 -40.327 19.117 209 HH22 ARG 25 2HH2 ARG 25 -7.334 -41.147 20.476 210 H GLN 26 H GLN 26 -0.624 -39.781 17.039 211 HA GLN 26 HA GLN 26 -1.230 -40.459 14.286 212 HB2 GLN 26 2HB GLN 26 -2.639 -38.986 15.856 213 HB3 GLN 26 3HB GLN 26 -1.447 -37.727 15.558 214 HG2 GLN 26 2HG GLN 26 -1.934 -37.882 13.140 215 HG3 GLN 26 3HG GLN 26 -3.181 -39.079 13.494 216 HE21 GLN 26 1HE2 GLN 26 -3.526 -36.520 12.223 217 HE22 GLN 26 2HE2 GLN 26 -4.605 -35.611 13.219 218 H ILE 27 H ILE 27 0.995 -38.306 16.027 219 HA ILE 27 HA ILE 27 2.154 -37.073 13.775 220 HB ILE 27 HB ILE 27 3.389 -37.543 16.498 221 HG12 ILE 27 2HG1 ILE 27 1.857 -35.161 15.398 222 HG13 ILE 27 3HG1 ILE 27 1.244 -36.308 16.583 223 HG21 ILE 27 1HG2 ILE 27 4.148 -35.569 14.334 224 HG22 ILE 27 2HG2 ILE 27 5.079 -36.988 14.812 225 HG23 ILE 27 3HG2 ILE 27 4.860 -35.656 15.945 226 HD11 ILE 27 3HD1 ILE 27 1.953 -34.225 17.620 227 HD12 ILE 27 1HD1 ILE 27 3.581 -34.450 16.981 228 HD13 ILE 27 2HD1 ILE 27 2.939 -35.579 18.174 229 H GLU 28 H GLU 28 3.241 -39.935 15.650 230 HA GLU 28 HA GLU 28 5.573 -40.441 14.173 231 HB2 GLU 28 2HB GLU 28 5.487 -42.717 15.052 232 HB3 GLU 28 3HB GLU 28 5.096 -41.550 16.307 233 HG2 GLU 28 2HG GLU 28 2.738 -42.058 16.097 234 HG3 GLU 28 3HG GLU 28 3.069 -43.163 14.764 235 H SER 29 H SER 29 2.225 -41.336 13.520 236 HA SER 29 HA SER 29 2.736 -43.038 11.307 237 HB2 SER 29 2HB SER 29 0.547 -42.924 12.503 238 HB3 SER 29 3HB SER 29 0.272 -41.333 11.791 239 HG SER 29 HG SER 29 0.419 -43.854 10.514 240 H TYR 30 H TYR 30 2.381 -39.553 11.630 241 HA TYR 30 HA TYR 30 2.440 -39.015 8.807 242 HB2 TYR 30 2HB TYR 30 2.809 -37.223 11.211 243 HB3 TYR 30 3HB TYR 30 2.848 -36.634 9.555 244 HD1 TYR 30 HD2 TYR 30 0.552 -38.738 8.753 245 HD2 TYR 30 HD1 TYR 30 0.955 -35.697 11.710 246 HE1 TYR 30 HE2 TYR 30 -1.892 -38.452 8.789 247 HE2 TYR 30 HE1 TYR 30 -1.483 -35.409 11.751 248 HH TYR 30 HH TYR 30 -3.419 -35.838 10.053 249 H ARG 31 H ARG 31 4.893 -39.214 11.352 250 HA ARG 31 HA ARG 31 7.005 -37.906 10.096 251 HB2 ARG 31 2HB ARG 31 7.173 -40.350 11.858 252 HB3 ARG 31 3HB ARG 31 8.528 -39.317 11.432 253 HG2 ARG 31 2HG ARG 31 7.288 -37.426 12.566 254 HG3 ARG 31 3HG ARG 31 6.163 -38.647 13.171 255 HD2 ARG 31 2HD ARG 31 8.555 -39.778 13.816 256 HD3 ARG 31 3HD ARG 31 8.957 -38.070 13.957 257 HE ARG 31 HE ARG 31 7.123 -37.907 15.588 258 HH11 ARG 31 1HH1 ARG 31 8.372 -41.032 14.854 259 HH12 ARG 31 2HH1 ARG 31 7.986 -41.673 16.413 260 HH21 ARG 31 1HH2 ARG 31 6.643 -38.751 17.599 261 HH22 ARG 31 2HH2 ARG 31 7.023 -40.408 17.933 262 H GLN 32 H GLN 32 5.746 -41.106 9.554 263 HA GLN 32 HA GLN 32 8.055 -42.088 8.162 264 HB2 GLN 32 2HB GLN 32 5.268 -43.220 8.473 265 HB3 GLN 32 3HB GLN 32 6.632 -44.091 7.781 266 HG2 GLN 32 2HG GLN 32 7.806 -44.067 9.863 267 HG3 GLN 32 3HG GLN 32 6.634 -42.960 10.575 268 HE21 GLN 32 1HE2 GLN 32 4.659 -43.751 11.258 269 HE22 GLN 32 2HE2 GLN 32 4.340 -45.439 11.428 270 H GLY 33 H GLY 33 5.802 -39.907 7.132 271 HA2 GLY 33 2HA GLY 33 6.432 -40.417 4.346 272 HA3 GLY 33 3HA GLY 33 4.741 -40.645 4.747 273 H ALA 34 H ALA 34 4.048 -38.635 6.320 274 HA ALA 34 HA ALA 34 3.847 -36.464 4.491 275 HB1 ALA 34 3HB ALA 34 2.486 -35.398 6.201 276 HB2 ALA 34 1HB ALA 34 3.034 -36.574 7.396 277 HB3 ALA 34 2HB ALA 34 2.049 -37.099 6.030 278 H TRP 35 H TRP 35 5.754 -36.915 7.444 279 HA TRP 35 HA TRP 35 6.665 -34.210 7.598 280 HB2 TRP 35 2HB TRP 35 7.474 -36.778 8.911 281 HB3 TRP 35 3HB TRP 35 8.498 -35.368 9.076 282 HD1 TRP 35 HD1 TRP 35 8.009 -35.541 11.718 283 HE1 TRP 35 HE1 TRP 35 6.089 -34.614 13.144 284 HE3 TRP 35 HE3 TRP 35 4.558 -34.683 8.035 285 HZ2 TRP 35 HZ2 TRP 35 3.478 -33.643 12.778 286 HZ3 TRP 35 HZ3 TRP 35 2.376 -33.745 8.661 287 HH2 TRP 35 HH2 TRP 35 1.842 -33.236 10.989 288 H ILE 36 H ILE 36 7.821 -33.366 5.985 289 HA ILE 36 HA ILE 36 10.065 -34.897 4.829 290 HB ILE 36 HB ILE 36 8.739 -32.378 3.775 291 HG12 ILE 36 2HG1 ILE 36 8.463 -35.238 2.789 292 HG13 ILE 36 3HG1 ILE 36 7.246 -34.373 3.723 293 HG21 ILE 36 1HG2 ILE 36 11.054 -32.549 3.068 294 HG22 ILE 36 2HG2 ILE 36 9.989 -32.876 1.702 295 HG23 ILE 36 3HG2 ILE 36 10.798 -34.208 2.526 296 HD11 ILE 36 3HD1 ILE 36 8.232 -33.620 0.978 297 HD12 ILE 36 1HD1 ILE 36 7.016 -32.749 1.914 298 HD13 ILE 36 2HD1 ILE 36 6.696 -34.394 1.363 299 H GLU 37 H GLU 37 12.097 -34.338 5.479 300 HA GLU 37 HA GLU 37 12.585 -32.201 7.278 301 HB2 GLU 37 2HB GLU 37 14.924 -32.771 7.128 302 HB3 GLU 37 3HB GLU 37 13.977 -34.250 7.171 303 HG2 GLU 37 2HG GLU 37 14.295 -34.606 4.823 304 HG3 GLU 37 3HG GLU 37 15.053 -33.024 4.636 305 H GLY 38 H GLY 38 13.884 -30.296 6.984 306 HA2 GLY 38 2HA GLY 38 14.644 -28.428 5.832 307 HA3 GLY 38 3HA GLY 38 14.472 -29.323 4.331 308 H VAL 39 H VAL 39 11.717 -29.959 4.557 309 HA VAL 39 HA VAL 39 10.531 -27.390 3.897 310 HB VAL 39 HB VAL 39 9.276 -30.143 3.735 311 HG11 VAL 39 1HG1 VAL 39 7.628 -28.346 3.772 312 HG12 VAL 39 2HG1 VAL 39 7.709 -29.078 2.169 313 HG13 VAL 39 3HG1 VAL 39 8.477 -27.519 2.464 314 HG21 VAL 39 3HG2 VAL 39 9.806 -30.033 1.324 315 HG22 VAL 39 1HG2 VAL 39 11.255 -30.067 2.331 316 HG23 VAL 39 2HG2 VAL 39 10.717 -28.549 1.609 317 H HIS 40 H HIS 40 9.374 -30.171 5.881 318 HA HIS 40 HA HIS 40 7.660 -28.283 7.339 319 HB2 HIS 40 2HB HIS 40 7.569 -31.294 7.125 320 HB3 HIS 40 3HB HIS 40 6.501 -30.356 8.162 321 HD1 HIS 40 HD1 HIS 40 6.440 -28.117 5.602 322 HD2 HIS 40 HD2 HIS 40 5.128 -32.063 5.781 323 HE1 HIS 40 HE1 HIS 40 4.714 -28.341 3.799 324 HE2 HIS 40 HE2 HIS 40 3.860 -30.694 3.991 325 H PHE 41 H PHE 41 10.560 -30.059 7.856 326 HA PHE 41 HA PHE 41 10.714 -28.998 10.534 327 HB2 PHE 41 2HB PHE 41 10.945 -31.030 11.767 328 HB3 PHE 41 3HB PHE 41 9.457 -31.165 10.841 329 HD1 PHE 41 HD2 PHE 41 12.873 -32.412 11.259 330 HD2 PHE 41 HD1 PHE 41 9.272 -32.768 9.010 331 HE1 PHE 41 HE2 PHE 41 13.665 -34.550 10.338 332 HE2 PHE 41 HE1 PHE 41 10.060 -34.911 8.093 333 HZ PHE 41 HZ PHE 41 12.259 -35.804 8.752 334 H LYS 42 H LYS 42 12.848 -29.675 11.621 335 HA LYS 42 HA LYS 42 14.913 -30.587 9.797 336 HB2 LYS 42 2HB LYS 42 16.370 -28.644 10.103 337 HB3 LYS 42 3HB LYS 42 14.862 -28.194 9.329 338 HG2 LYS 42 2HG LYS 42 15.050 -26.472 10.807 339 HG3 LYS 42 3HG LYS 42 14.149 -27.609 11.809 340 HD2 LYS 42 2HD LYS 42 15.984 -26.615 13.076 341 HD3 LYS 42 3HD LYS 42 16.258 -28.343 12.855 342 HE2 LYS 42 2HE LYS 42 18.321 -27.098 12.499 343 HE3 LYS 42 3HE LYS 42 17.790 -27.858 10.998 344 HZ1 LYS 42 3HZ LYS 42 18.484 -25.639 10.530 345 HZ2 LYS 42 1HZ LYS 42 17.495 -24.998 11.744 346 HZ3 LYS 42 2HZ LYS 42 16.804 -25.691 10.365 347 H ARG 43 H ARG 43 16.716 -31.438 10.791 348 HA ARG 43 HA ARG 43 16.380 -32.115 13.611 349 HB2 ARG 43 2HB ARG 43 18.208 -33.739 13.174 350 HB3 ARG 43 3HB ARG 43 16.858 -33.919 12.060 351 HG2 ARG 43 2HG ARG 43 18.156 -32.554 10.404 352 HG3 ARG 43 3HG ARG 43 19.531 -32.643 11.503 353 HD2 ARG 43 2HD ARG 43 19.486 -35.102 11.338 354 HD3 ARG 43 3HD ARG 43 18.125 -34.989 10.215 355 HE ARG 43 HE ARG 43 20.247 -33.420 9.253 356 HH11 ARG 43 1HH1 ARG 43 19.373 -36.735 9.646 357 HH12 ARG 43 2HH1 ARG 43 20.407 -37.259 8.364 358 HH21 ARG 43 1HH2 ARG 43 21.553 -34.119 7.615 359 HH22 ARG 43 2HH2 ARG 43 21.609 -35.799 7.218 360 H VAL 44 H VAL 44 17.782 -31.546 15.278 361 HA VAL 44 HA VAL 44 19.854 -29.547 14.595 362 HB VAL 44 HB VAL 44 18.263 -29.804 17.160 363 HG11 VAL 44 1HG1 VAL 44 19.317 -27.656 17.772 364 HG12 VAL 44 2HG1 VAL 44 20.330 -27.758 16.332 365 HG13 VAL 44 3HG1 VAL 44 20.493 -28.961 17.613 366 HG21 VAL 44 3HG2 VAL 44 16.903 -28.966 15.308 367 HG22 VAL 44 1HG2 VAL 44 18.110 -27.725 14.967 368 HG23 VAL 44 2HG2 VAL 44 17.212 -27.690 16.486 369 H SER 45 H SER 45 21.868 -30.258 14.819 370 HA SER 45 HA SER 45 22.542 -32.367 16.735 371 HB2 SER 45 2HB SER 45 23.546 -32.593 14.539 372 HB3 SER 45 3HB SER 45 24.202 -30.961 14.622 373 HG SER 45 HG SER 45 25.241 -33.272 15.564 374 HA PRO 46 HA PRO 46 24.348 -29.472 19.707 375 HB2 PRO 46 2HB PRO 46 26.093 -31.151 20.946 376 HB3 PRO 46 3HB PRO 46 24.351 -31.203 21.237 377 HG2 PRO 46 2HG PRO 46 26.022 -32.932 19.443 378 HG3 PRO 46 3HG PRO 46 24.732 -33.405 20.565 379 HD2 PRO 46 2HD PRO 46 24.316 -33.164 17.900 380 HD3 PRO 46 3HD PRO 46 23.054 -32.796 19.094 381 H SER 47 H SER 47 25.820 -30.744 17.027 382 HA SER 47 HA SER 47 28.160 -28.977 17.313 383 HB2 SER 47 2HB SER 47 29.579 -30.637 16.176 384 HB3 SER 47 3HB SER 47 28.917 -31.308 17.666 385 HG SER 47 HG SER 47 27.156 -32.008 15.980 386 H GLY 48 H GLY 48 29.252 -29.349 14.777 387 HA2 GLY 48 2HA GLY 48 27.458 -27.851 13.128 388 HA3 GLY 48 3HA GLY 48 29.040 -28.451 12.662 389 H GLU 49 H GLU 49 29.030 -29.902 11.044 390 HA GLU 49 HA GLU 49 26.515 -31.177 10.287 391 HB2 GLU 49 2HB GLU 49 29.195 -31.066 8.890 392 HB3 GLU 49 3HB GLU 49 27.769 -31.858 8.236 393 HG2 GLU 49 2HG GLU 49 26.594 -29.666 8.281 394 HG3 GLU 49 3HG GLU 49 28.101 -28.915 8.806 395 H LYS 50 H LYS 50 28.319 -32.069 12.606 396 HA LYS 50 HA LYS 50 29.140 -34.737 11.882 397 HB2 LYS 50 2HB LYS 50 28.817 -33.459 14.612 398 HB3 LYS 50 3HB LYS 50 29.629 -34.985 14.286 399 HG2 LYS 50 2HG LYS 50 31.305 -33.799 12.936 400 HG3 LYS 50 3HG LYS 50 30.490 -32.272 13.280 401 HD2 LYS 50 2HD LYS 50 32.404 -32.520 14.744 402 HD3 LYS 50 3HD LYS 50 30.920 -32.616 15.691 403 HE2 LYS 50 2HE LYS 50 31.101 -35.036 15.787 404 HE3 LYS 50 3HE LYS 50 32.518 -34.997 14.739 405 HZ1 LYS 50 3HZ LYS 50 33.204 -35.239 17.011 406 HZ2 LYS 50 1HZ LYS 50 32.319 -33.878 17.480 407 HZ3 LYS 50 2HZ LYS 50 33.661 -33.702 16.475 408 H THR 51 H THR 51 28.240 -36.404 13.865 409 HA THR 51 HA THR 51 25.672 -37.127 12.947 410 HB THR 51 HB THR 51 26.919 -38.023 15.552 411 HG1 THR 51 HG1 THR 51 27.359 -38.788 12.863 412 HG21 THR 51 3HG2 THR 51 24.922 -39.381 13.738 413 HG22 THR 51 1HG2 THR 51 24.546 -38.617 15.286 414 HG23 THR 51 2HG2 THR 51 25.583 -40.041 15.234 415 H LEU 52 H LEU 52 23.646 -37.130 14.006 416 HA LEU 52 HA LEU 52 23.033 -34.660 15.262 417 HB2 LEU 52 2HB LEU 52 21.353 -37.121 14.798 418 HB3 LEU 52 3HB LEU 52 20.716 -35.614 15.429 419 HG LEU 52 HG LEU 52 20.176 -35.669 13.118 420 HD11 LEU 52 1HD1 LEU 52 21.354 -33.725 12.223 421 HD12 LEU 52 2HD1 LEU 52 22.594 -33.895 13.466 422 HD13 LEU 52 3HD1 LEU 52 20.936 -33.498 13.921 423 HD21 LEU 52 3HD2 LEU 52 23.078 -36.319 12.575 424 HD22 LEU 52 1HD2 LEU 52 21.864 -35.972 11.343 425 HD23 LEU 52 2HD2 LEU 52 21.699 -37.397 12.365 426 H ARG 53 H ARG 53 21.892 -37.767 16.575 427 HA ARG 53 HA ARG 53 21.731 -38.564 18.697 428 HB2 ARG 53 2HB ARG 53 24.213 -36.881 19.087 429 HB3 ARG 53 3HB ARG 53 23.584 -37.990 20.297 430 HG2 ARG 53 2HG ARG 53 24.556 -38.747 17.542 431 HG3 ARG 53 3HG ARG 53 25.430 -38.982 19.057 432 HD2 ARG 53 2HD ARG 53 22.856 -40.301 18.189 433 HD3 ARG 53 3HD ARG 53 24.421 -41.070 18.464 434 HE ARG 53 HE ARG 53 23.436 -39.752 20.800 435 HH11 ARG 53 1HH1 ARG 53 23.226 -42.664 18.959 436 HH12 ARG 53 2HH1 ARG 53 22.638 -43.581 20.304 437 HH21 ARG 53 1HH2 ARG 53 22.667 -40.927 22.484 438 HH22 ARG 53 2HH2 ARG 53 22.326 -42.613 22.277 439 H GLY 54 H GLY 54 20.659 -35.769 17.909 440 HA2 GLY 54 2HA GLY 54 20.144 -34.779 20.655 441 HA3 GLY 54 3HA GLY 54 20.414 -33.701 19.297 442 H THR 55 H THR 55 18.477 -32.643 19.229 443 HA THR 55 HA THR 55 16.010 -34.275 19.207 444 HB THR 55 HB THR 55 16.306 -31.359 19.981 445 HG1 THR 55 HG1 THR 55 16.354 -33.766 21.440 446 HG21 THR 55 3HG2 THR 55 14.090 -31.857 19.067 447 HG22 THR 55 1HG2 THR 55 13.996 -31.588 20.808 448 HG23 THR 55 2HG2 THR 55 13.931 -33.228 20.164 449 H THR 56 H THR 56 14.631 -34.171 17.517 450 HA THR 56 HA THR 56 15.257 -32.428 15.251 451 HB THR 56 HB THR 56 13.214 -34.647 15.541 452 HG1 THR 56 HG1 THR 56 15.303 -35.465 15.369 453 HG21 THR 56 3HG2 THR 56 13.941 -33.027 13.091 454 HG22 THR 56 1HG2 THR 56 12.402 -32.967 13.952 455 HG23 THR 56 2HG2 THR 56 12.887 -34.440 13.111 456 H TRP 57 H TRP 57 14.314 -30.490 15.044 457 HA TRP 57 HA TRP 57 11.910 -29.861 16.602 458 HB2 TRP 57 2HB TRP 57 13.906 -28.112 15.143 459 HB3 TRP 57 3HB TRP 57 12.447 -27.487 15.906 460 HD1 TRP 57 HD1 TRP 57 15.246 -29.885 17.188 461 HE1 TRP 57 HE1 TRP 57 15.991 -29.050 19.501 462 HE3 TRP 57 HE3 TRP 57 12.233 -25.772 17.575 463 HZ2 TRP 57 HZ2 TRP 57 15.392 -26.929 21.253 464 HZ3 TRP 57 HZ3 TRP 57 12.386 -24.386 19.605 465 HH2 TRP 57 HH2 TRP 57 13.934 -24.955 21.407 466 H TYR 58 H TYR 58 10.017 -29.018 15.675 467 HA TYR 58 HA TYR 58 9.717 -29.605 12.793 468 HB2 TYR 58 2HB TYR 58 7.583 -29.690 14.941 469 HB3 TYR 58 3HB TYR 58 7.388 -30.157 13.257 470 HD1 TYR 58 HD2 TYR 58 8.492 -32.222 12.409 471 HD2 TYR 58 HD1 TYR 58 8.578 -31.174 16.534 472 HE1 TYR 58 HE2 TYR 58 9.171 -34.520 12.977 473 HE2 TYR 58 HE1 TYR 58 9.271 -33.457 17.106 474 HH TYR 58 HH TYR 58 9.005 -35.793 16.033 475 H ASN 59 H ASN 59 8.703 -28.162 11.454 476 HA ASN 59 HA ASN 59 8.450 -25.426 12.365 477 HB2 ASN 59 2HB ASN 59 7.896 -26.640 9.642 478 HB3 ASN 59 3HB ASN 59 7.983 -24.918 9.999 479 HD21 ASN 59 1HD2 ASN 59 9.676 -24.611 8.545 480 HD22 ASN 59 2HD2 ASN 59 11.276 -25.160 8.875 481 H TYR 60 H TYR 60 6.663 -25.204 13.678 482 HA TYR 60 HA TYR 60 4.229 -26.463 13.512 483 HB2 TYR 60 2HB TYR 60 4.786 -25.165 15.445 484 HB3 TYR 60 3HB TYR 60 4.865 -23.682 14.501 485 HD1 TYR 60 HD1 TYR 60 2.357 -26.422 15.056 486 HD2 TYR 60 HD2 TYR 60 3.103 -22.233 14.872 487 HE1 TYR 60 HE1 TYR 60 0.000 -25.980 15.590 488 HE2 TYR 60 HE2 TYR 60 0.746 -21.785 15.403 489 HH TYR 60 HH TYR 60 -1.376 -22.803 15.384 490 HA PRO 61 HA PRO 61 2.502 -22.750 10.646 491 HB2 PRO 61 2HB PRO 61 5.109 -22.362 9.214 492 HB3 PRO 61 3HB PRO 61 3.817 -21.196 9.533 493 HG2 PRO 61 2HG PRO 61 6.033 -21.132 10.985 494 HG3 PRO 61 3HG PRO 61 4.452 -20.906 11.761 495 HD2 PRO 61 2HD PRO 61 6.234 -23.313 11.745 496 HD3 PRO 61 3HD PRO 61 5.229 -22.661 13.056 497 H GLU 62 H GLU 62 5.202 -24.756 9.432 498 HA GLU 62 HA GLU 62 4.030 -25.416 6.949 499 HB2 GLU 62 2HB GLU 62 6.205 -26.699 8.593 500 HB3 GLU 62 3HB GLU 62 5.711 -27.355 7.039 501 HG2 GLU 62 2HG GLU 62 6.683 -24.532 7.436 502 HG3 GLU 62 3HG GLU 62 7.719 -25.881 6.967 503 H ILE 63 H ILE 63 4.005 -27.099 10.079 504 HA ILE 63 HA ILE 63 2.641 -29.413 9.149 505 HB ILE 63 HB ILE 63 2.891 -28.274 11.945 506 HG12 ILE 63 2HG1 ILE 63 4.360 -30.497 10.486 507 HG13 ILE 63 3HG1 ILE 63 5.023 -28.920 10.905 508 HG21 ILE 63 1HG2 ILE 63 1.891 -30.994 11.079 509 HG22 ILE 63 2HG2 ILE 63 0.916 -29.720 11.810 510 HG23 ILE 63 3HG2 ILE 63 2.194 -30.498 12.743 511 HD11 ILE 63 3HD1 ILE 63 4.816 -29.481 13.273 512 HD12 ILE 63 1HD1 ILE 63 5.823 -30.638 12.403 513 HD13 ILE 63 2HD1 ILE 63 4.167 -31.063 12.837 514 H ASN 64 H ASN 64 1.465 -26.458 10.789 515 HA ASN 64 HA ASN 64 -1.278 -27.082 10.771 516 HB2 ASN 64 2HB ASN 64 -0.271 -25.167 12.015 517 HB3 ASN 64 3HB ASN 64 0.000 -24.341 10.484 518 HD21 ASN 64 1HD2 ASN 64 -2.845 -26.228 11.367 519 HD22 ASN 64 2HD2 ASN 64 -3.944 -24.900 11.332 520 H LYS 65 H LYS 65 0.816 -25.690 8.304 521 HA LYS 65 HA LYS 65 -1.118 -25.067 6.346 522 HB2 LYS 65 2HB LYS 65 1.200 -24.249 6.315 523 HB3 LYS 65 3HB LYS 65 1.785 -25.881 6.052 524 HG2 LYS 65 2HG LYS 65 0.655 -25.920 3.865 525 HG3 LYS 65 3HG LYS 65 0.115 -24.259 4.132 526 HD2 LYS 65 2HD LYS 65 2.476 -23.545 4.317 527 HD3 LYS 65 3HD LYS 65 2.988 -25.201 3.990 528 HE2 LYS 65 2HE LYS 65 1.903 -25.086 1.788 529 HE3 LYS 65 3HE LYS 65 1.410 -23.424 2.123 530 HZ1 LYS 65 3HZ LYS 65 4.196 -24.427 1.873 531 HZ2 LYS 65 1HZ LYS 65 3.782 -22.853 2.325 532 HZ3 LYS 65 2HZ LYS 65 3.382 -23.422 0.787 533 H PHE 66 H PHE 66 0.528 -28.070 7.167 534 HA PHE 66 HA PHE 66 -0.461 -29.519 4.875 535 HB2 PHE 66 2HB PHE 66 1.645 -30.230 5.784 536 HB3 PHE 66 3HB PHE 66 0.960 -30.401 7.396 537 HD1 PHE 66 HD2 PHE 66 0.788 -31.797 3.952 538 HD2 PHE 66 HD1 PHE 66 0.084 -32.457 8.102 539 HE1 PHE 66 HE2 PHE 66 0.294 -34.162 3.492 540 HE2 PHE 66 HE1 PHE 66 -0.408 -34.824 7.647 541 HZ PHE 66 HZ PHE 66 -0.306 -35.679 5.338 542 H ILE 67 H ILE 67 -1.306 -29.360 8.327 543 HA ILE 67 HA ILE 67 -3.023 -31.480 8.588 544 HB ILE 67 HB ILE 67 -3.240 -28.743 9.856 545 HG12 ILE 67 2HG1 ILE 67 -2.129 -31.369 10.894 546 HG13 ILE 67 3HG1 ILE 67 -1.164 -30.008 10.332 547 HG21 ILE 67 1HG2 ILE 67 -4.667 -31.287 10.656 548 HG22 ILE 67 2HG2 ILE 67 -5.418 -29.851 9.961 549 HG23 ILE 67 3HG2 ILE 67 -4.674 -29.770 11.557 550 HD11 ILE 67 3HD1 ILE 67 -2.040 -28.641 12.157 551 HD12 ILE 67 1HD1 ILE 67 -1.240 -30.096 12.751 552 HD13 ILE 67 2HD1 ILE 67 -3.002 -30.009 12.721 553 H ARG 68 H ARG 68 -3.824 -28.287 7.243 554 HA ARG 68 HA ARG 68 -6.563 -28.524 6.941 555 HB2 ARG 68 2HB ARG 68 -5.478 -26.460 6.356 556 HB3 ARG 68 3HB ARG 68 -4.543 -27.246 5.086 557 HG2 ARG 68 2HG ARG 68 -6.716 -27.762 3.936 558 HG3 ARG 68 3HG ARG 68 -7.515 -26.741 5.128 559 HD2 ARG 68 2HD ARG 68 -6.402 -24.798 4.346 560 HD3 ARG 68 3HD ARG 68 -5.255 -25.752 3.397 561 HE ARG 68 HE ARG 68 -7.856 -26.309 2.514 562 HH11 ARG 68 1HH1 ARG 68 -5.623 -23.677 2.476 563 HH12 ARG 68 2HH1 ARG 68 -6.197 -23.093 0.955 564 HH21 ARG 68 1HH2 ARG 68 -8.557 -25.561 0.590 565 HH22 ARG 68 2HH2 ARG 68 -7.852 -24.137 -0.092 566 H ASP 69 H ASP 69 -4.048 -29.703 4.708 567 HA ASP 69 HA ASP 69 -5.762 -30.610 2.677 568 HB2 ASP 69 2HB ASP 69 -3.347 -30.266 2.356 569 HB3 ASP 69 3HB ASP 69 -3.005 -31.625 3.423 570 H SER 70 H SER 70 -4.676 -32.147 5.645 571 HA SER 70 HA SER 70 -5.375 -34.802 5.167 572 HB2 SER 70 2HB SER 70 -4.169 -34.160 7.183 573 HB3 SER 70 3HB SER 70 -5.557 -33.239 7.759 574 HG SER 70 HG SER 70 -6.048 -35.903 7.159 575 H LEU 71 H LEU 71 -7.446 -32.063 5.756 576 HA LEU 71 HA LEU 71 -9.796 -33.684 6.307 577 HB2 LEU 71 2HB LEU 71 -9.379 -30.705 6.013 578 HB3 LEU 71 3HB LEU 71 -10.961 -31.419 6.249 579 HG LEU 71 HG LEU 71 -10.168 -30.580 8.356 580 HD11 LEU 71 1HD1 LEU 71 -11.449 -32.645 8.432 581 HD12 LEU 71 2HD1 LEU 71 -10.258 -32.591 9.729 582 HD13 LEU 71 3HD1 LEU 71 -9.964 -33.590 8.305 583 HD21 LEU 71 3HD2 LEU 71 -8.120 -31.401 9.424 584 HD22 LEU 71 1HD2 LEU 71 -7.775 -30.556 7.915 585 HD23 LEU 71 2HD2 LEU 71 -7.728 -32.318 7.968 586 H GLU 72 H GLU 72 -8.514 -31.792 3.591 587 HA GLU 72 HA GLU 72 -10.947 -32.443 2.039 588 HB2 GLU 72 2HB GLU 72 -10.410 -30.444 0.679 589 HB3 GLU 72 3HB GLU 72 -10.690 -30.069 2.374 590 HG2 GLU 72 2HG GLU 72 -8.214 -30.031 2.708 591 HG3 GLU 72 3HG GLU 72 -8.028 -30.221 0.965 592 H HIS 73 H HIS 73 -7.978 -33.673 2.308 593 HA HIS 73 HA HIS 73 -6.737 -33.582 -0.163 594 HB2 HIS 73 2HB HIS 73 -5.816 -34.641 1.918 595 HB3 HIS 73 3HB HIS 73 -6.857 -36.028 1.615 596 HD1 HIS 73 HD1 HIS 73 -3.974 -34.156 0.019 597 HD2 HIS 73 HD2 HIS 73 -5.768 -37.906 -0.075 598 HE1 HIS 73 HE1 HIS 73 -2.501 -35.566 -1.441 599 HE2 HIS 73 HE2 HIS 73 -3.469 -37.883 -1.278 600 H HIS 74 H HIS 74 -7.383 -34.150 -2.138 601 HA HIS 74 HA HIS 74 -9.824 -35.474 -2.651 602 HB2 HIS 74 2HB HIS 74 -7.498 -34.896 -4.500 603 HB3 HIS 74 3HB HIS 74 -9.082 -35.458 -5.033 604 HD1 HIS 74 HD1 HIS 74 -7.225 -32.416 -4.190 605 HD2 HIS 74 HD2 HIS 74 -11.215 -33.544 -4.480 606 HE1 HIS 74 HE1 HIS 74 -8.530 -30.274 -4.275 607 HE2 HIS 74 HE2 HIS 74 -10.906 -30.985 -4.650 608 H HIS 75 H HIS 75 -9.987 -37.405 -4.179 609 HA HIS 75 HA HIS 75 -8.990 -39.655 -2.788 610 HB2 HIS 75 2HB HIS 75 -10.141 -40.997 -4.518 611 HB3 HIS 75 3HB HIS 75 -11.164 -39.732 -3.852 612 HD1 HIS 75 HD1 HIS 75 -11.947 -37.864 -5.464 613 HD2 HIS 75 HD2 HIS 75 -9.464 -40.697 -7.233 614 HE1 HIS 75 HE1 HIS 75 -12.103 -37.455 -7.935 615 HE2 HIS 75 HE2 HIS 75 -10.650 -39.216 -8.989 616 H HIS 76 H HIS 76 -6.931 -40.264 -2.836 617 HA HIS 76 HA HIS 76 -5.384 -40.134 -5.321 618 HB2 HIS 76 2HB HIS 76 -4.261 -39.249 -3.379 619 HB3 HIS 76 3HB HIS 76 -4.592 -40.709 -2.454 620 HD1 HIS 76 HD1 HIS 76 -2.991 -42.644 -2.710 621 HD2 HIS 76 HD2 HIS 76 -2.195 -39.536 -5.350 622 HE1 HIS 76 HE1 HIS 76 -0.770 -43.188 -3.737 623 HE2 HIS 76 HE2 HIS 76 -0.208 -41.182 -5.137 624 H HIS 77 H HIS 77 -5.936 -41.846 -6.611 625 HA HIS 77 HA HIS 77 -5.332 -44.525 -5.611 626 HB2 HIS 77 2HB HIS 77 -8.019 -43.809 -6.811 627 HB3 HIS 77 3HB HIS 77 -7.446 -45.456 -6.574 628 HD1 HIS 77 HD1 HIS 77 -6.849 -46.008 -3.940 629 HD2 HIS 77 HD2 HIS 77 -9.430 -42.846 -4.702 630 HE1 HIS 77 HE1 HIS 77 -8.035 -45.579 -1.777 631 HE2 HIS 77 HE2 HIS 77 -9.770 -43.853 -2.345 632 H HIS 78 H HIS 78 -3.973 -45.395 -7.028 633 HA HIS 78 HA HIS 78 -4.321 -44.826 -9.910 634 HB2 HIS 78 2HB HIS 78 -2.116 -44.223 -8.874 635 HB3 HIS 78 3HB HIS 78 -1.866 -45.925 -8.505 636 HD1 HIS 78 HD1 HIS 78 -1.807 -47.536 -10.713 637 HD2 HIS 78 HD2 HIS 78 -1.226 -43.466 -11.326 638 HE1 HIS 78 HE1 HIS 78 -0.729 -47.345 -12.966 639 HE2 HIS 78 HE2 HIS 78 -0.510 -44.875 -13.378 Start of MODEL 16 1 H1 MET 1 1H MET 1 17.940 -7.075 7.043 2 H2 MET 1 2H MET 1 19.459 -6.355 7.213 3 H3 MET 1 3H MET 1 18.610 -6.194 5.764 4 HA MET 1 HA MET 1 17.812 -5.091 8.396 5 HB2 MET 1 2HB MET 1 19.724 -3.925 7.380 6 HB3 MET 1 3HB MET 1 18.807 -3.700 5.898 7 HG2 MET 1 2HG MET 1 17.217 -2.278 7.081 8 HG3 MET 1 3HG MET 1 18.106 -2.527 8.585 9 HE1 MET 1 3HE MET 1 18.253 0.120 8.911 10 HE2 MET 1 1HE MET 1 17.385 0.371 7.394 11 HE3 MET 1 2HE MET 1 18.902 1.218 7.692 12 H ALA 2 H ALA 2 17.122 -4.756 4.884 13 HA ALA 2 HA ALA 2 14.546 -3.643 5.314 14 HB1 ALA 2 3HB ALA 2 14.251 -3.843 2.911 15 HB2 ALA 2 1HB ALA 2 15.649 -4.916 2.809 16 HB3 ALA 2 2HB ALA 2 15.861 -3.231 3.287 17 H GLN 3 H GLN 3 15.312 -6.809 3.796 18 HA GLN 3 HA GLN 3 12.614 -7.724 4.210 19 HB2 GLN 3 2HB GLN 3 13.421 -9.857 3.214 20 HB3 GLN 3 3HB GLN 3 13.756 -8.447 2.218 21 HG2 GLN 3 2HG GLN 3 16.062 -8.464 2.841 22 HG3 GLN 3 3HG GLN 3 15.782 -9.708 4.057 23 HE21 GLN 3 1HE2 GLN 3 17.319 -11.059 3.113 24 HE22 GLN 3 2HE2 GLN 3 17.027 -11.891 1.628 25 H ILE 4 H ILE 4 11.858 -8.494 6.068 26 HA ILE 4 HA ILE 4 13.715 -9.689 8.018 27 HB ILE 4 HB ILE 4 10.869 -8.726 8.429 28 HG12 ILE 4 2HG1 ILE 4 12.411 -6.863 7.963 29 HG13 ILE 4 3HG1 ILE 4 11.898 -6.838 9.647 30 HG21 ILE 4 1HG2 ILE 4 11.386 -8.959 10.837 31 HG22 ILE 4 2HG2 ILE 4 12.935 -9.691 10.416 32 HG23 ILE 4 3HG2 ILE 4 11.430 -10.501 9.984 33 HD11 ILE 4 3HD1 ILE 4 14.267 -6.320 9.397 34 HD12 ILE 4 1HD1 ILE 4 14.535 -7.886 8.633 35 HD13 ILE 4 2HD1 ILE 4 14.026 -7.802 10.321 36 H ILE 5 H ILE 5 13.910 -11.836 7.496 37 HA ILE 5 HA ILE 5 11.499 -13.410 6.946 38 HB ILE 5 HB ILE 5 14.413 -14.246 6.882 39 HG12 ILE 5 2HG1 ILE 5 13.905 -14.476 4.383 40 HG13 ILE 5 3HG1 ILE 5 12.434 -13.563 4.689 41 HG21 ILE 5 1HG2 ILE 5 11.925 -15.799 6.147 42 HG22 ILE 5 2HG2 ILE 5 13.034 -16.139 7.476 43 HG23 ILE 5 3HG2 ILE 5 13.577 -16.315 5.809 44 HD11 ILE 5 3HD1 ILE 5 15.239 -12.586 5.186 45 HD12 ILE 5 1HD1 ILE 5 13.756 -11.665 5.438 46 HD13 ILE 5 2HD1 ILE 5 14.221 -12.160 3.810 47 H PHE 6 H PHE 6 10.426 -13.877 8.779 48 HA PHE 6 HA PHE 6 11.583 -15.654 10.702 49 HB2 PHE 6 2HB PHE 6 12.432 -13.389 11.457 50 HB3 PHE 6 3HB PHE 6 10.760 -12.938 11.769 51 HD1 PHE 6 HD1 PHE 6 13.051 -15.797 12.552 52 HD2 PHE 6 HD2 PHE 6 10.091 -13.074 13.977 53 HE1 PHE 6 HE1 PHE 6 13.238 -16.770 14.804 54 HE2 PHE 6 HE2 PHE 6 10.274 -14.051 16.225 55 HZ PHE 6 HZ PHE 6 11.850 -15.898 16.644 56 H ASN 7 H ASN 7 9.043 -14.797 8.946 57 HA ASN 7 HA ASN 7 6.899 -15.144 10.864 58 HB2 ASN 7 2HB ASN 7 6.623 -13.731 8.836 59 HB3 ASN 7 3HB ASN 7 6.810 -15.163 7.830 60 HD21 ASN 7 1HD2 ASN 7 4.771 -14.930 6.920 61 HD22 ASN 7 2HD2 ASN 7 3.322 -15.255 7.802 62 H GLU 8 H GLU 8 8.296 -17.205 11.429 63 HA GLU 8 HA GLU 8 6.891 -19.529 10.430 64 HB2 GLU 8 2HB GLU 8 9.020 -20.712 9.833 65 HB3 GLU 8 3HB GLU 8 8.600 -19.392 8.750 66 HG2 GLU 8 2HG GLU 8 10.194 -17.940 10.026 67 HG3 GLU 8 3HG GLU 8 10.699 -19.377 10.914 68 H GLU 9 H GLU 9 6.787 -21.133 11.959 69 HA GLU 9 HA GLU 9 8.379 -20.756 14.417 70 HB2 GLU 9 2HB GLU 9 5.565 -21.828 14.121 71 HB3 GLU 9 3HB GLU 9 6.476 -21.843 15.624 72 HG2 GLU 9 2HG GLU 9 6.592 -19.374 15.542 73 HG3 GLU 9 3HG GLU 9 5.598 -19.400 14.086 74 H TRP 10 H TRP 10 9.972 -22.230 14.397 75 HA TRP 10 HA TRP 10 9.411 -24.999 13.626 76 HB2 TRP 10 2HB TRP 10 11.991 -23.634 14.456 77 HB3 TRP 10 3HB TRP 10 11.862 -25.334 14.009 78 HD1 TRP 10 HD1 TRP 10 11.274 -21.846 12.411 79 HE1 TRP 10 HE1 TRP 10 11.744 -22.037 9.892 80 HE3 TRP 10 HE3 TRP 10 12.197 -26.870 12.133 81 HZ2 TRP 10 HZ2 TRP 10 12.407 -24.046 8.029 82 HZ3 TRP 10 HZ3 TRP 10 12.736 -27.844 9.940 83 HH2 TRP 10 HH2 TRP 10 12.841 -26.461 7.930 84 H MET 11 H MET 11 8.854 -26.497 15.104 85 HA MET 11 HA MET 11 9.523 -26.044 17.937 86 HB2 MET 11 2HB MET 11 7.182 -26.533 18.584 87 HB3 MET 11 3HB MET 11 7.340 -25.051 17.650 88 HG2 MET 11 2HG MET 11 6.670 -26.360 15.623 89 HG3 MET 11 3HG MET 11 6.320 -27.716 16.694 90 HE1 MET 11 3HE MET 11 5.416 -24.034 15.726 91 HE2 MET 11 1HE MET 11 5.767 -23.879 17.448 92 HE3 MET 11 2HE MET 11 4.118 -23.666 16.859 93 H VAL 12 H VAL 12 9.603 -27.883 19.233 94 HA VAL 12 HA VAL 12 10.321 -30.301 17.970 95 HB VAL 12 HB VAL 12 10.424 -31.275 20.225 96 HG11 VAL 12 1HG1 VAL 12 11.547 -28.471 20.085 97 HG12 VAL 12 2HG1 VAL 12 12.294 -29.922 19.417 98 HG13 VAL 12 3HG1 VAL 12 12.102 -29.753 21.161 99 HG21 VAL 12 3HG2 VAL 12 8.429 -30.261 21.199 100 HG22 VAL 12 1HG2 VAL 12 9.178 -28.665 21.125 101 HG23 VAL 12 2HG2 VAL 12 9.839 -29.903 22.196 102 H GLU 13 H GLU 13 9.332 -32.462 18.593 103 HA GLU 13 HA GLU 13 6.851 -32.675 17.326 104 HB2 GLU 13 2HB GLU 13 8.645 -34.453 17.587 105 HB3 GLU 13 3HB GLU 13 8.018 -34.738 19.204 106 HG2 GLU 13 2HG GLU 13 5.868 -35.396 18.282 107 HG3 GLU 13 3HG GLU 13 6.438 -35.039 16.651 108 H LYS 14 H LYS 14 7.628 -32.787 20.789 109 HA LYS 14 HA LYS 14 5.065 -33.305 21.793 110 HB2 LYS 14 2HB LYS 14 7.144 -33.403 23.130 111 HB3 LYS 14 3HB LYS 14 7.280 -31.655 23.043 112 HG2 LYS 14 2HG LYS 14 4.794 -32.832 24.201 113 HG3 LYS 14 3HG LYS 14 6.271 -32.858 25.163 114 HD2 LYS 14 2HD LYS 14 5.069 -30.373 23.925 115 HD3 LYS 14 3HD LYS 14 4.823 -30.874 25.599 116 HE2 LYS 14 2HE LYS 14 7.276 -30.749 25.950 117 HE3 LYS 14 3HE LYS 14 7.459 -30.157 24.301 118 HZ1 LYS 14 3HZ LYS 14 5.873 -28.798 26.416 119 HZ2 LYS 14 1HZ LYS 14 6.194 -28.208 24.863 120 HZ3 LYS 14 2HZ LYS 14 7.450 -28.379 25.977 121 H ALA 15 H ALA 15 6.593 -30.202 20.952 122 HA ALA 15 HA ALA 15 4.391 -28.599 21.854 123 HB1 ALA 15 3HB ALA 15 5.556 -26.745 20.784 124 HB2 ALA 15 1HB ALA 15 6.629 -27.874 19.953 125 HB3 ALA 15 2HB ALA 15 6.689 -27.729 21.710 126 H LEU 16 H LEU 16 5.359 -30.003 18.780 127 HA LEU 16 HA LEU 16 3.627 -28.561 17.097 128 HB2 LEU 16 2HB LEU 16 5.637 -29.904 16.424 129 HB3 LEU 16 3HB LEU 16 4.694 -31.358 16.670 130 HG LEU 16 HG LEU 16 4.973 -30.524 14.269 131 HD11 LEU 16 1HD1 LEU 16 2.742 -31.189 13.604 132 HD12 LEU 16 2HD1 LEU 16 2.149 -30.946 15.246 133 HD13 LEU 16 3HD1 LEU 16 3.317 -32.225 14.911 134 HD21 LEU 16 3HD2 LEU 16 3.429 -28.783 13.521 135 HD22 LEU 16 1HD2 LEU 16 4.579 -28.148 14.698 136 HD23 LEU 16 2HD2 LEU 16 2.920 -28.502 15.185 137 H MET 17 H MET 17 3.209 -31.765 18.641 138 HA MET 17 HA MET 17 0.691 -32.348 17.549 139 HB2 MET 17 2HB MET 17 0.423 -33.956 19.374 140 HB3 MET 17 3HB MET 17 2.049 -34.027 18.710 141 HG2 MET 17 2HG MET 17 2.891 -32.731 20.595 142 HG3 MET 17 3HG MET 17 1.259 -32.619 21.254 143 HE1 MET 17 3HE MET 17 2.997 -35.711 19.506 144 HE2 MET 17 1HE MET 17 3.658 -36.552 20.909 145 HE3 MET 17 2HE MET 17 4.289 -34.968 20.452 146 H VAL 18 H VAL 18 1.566 -30.341 20.300 147 HA VAL 18 HA VAL 18 -1.089 -29.994 21.312 148 HB VAL 18 HB VAL 18 1.350 -28.233 21.699 149 HG11 VAL 18 1HG1 VAL 18 -1.218 -28.388 23.286 150 HG12 VAL 18 2HG1 VAL 18 -0.695 -27.043 22.271 151 HG13 VAL 18 3HG1 VAL 18 0.205 -27.446 23.734 152 HG21 VAL 18 3HG2 VAL 18 1.760 -30.533 22.423 153 HG22 VAL 18 1HG2 VAL 18 0.297 -30.493 23.409 154 HG23 VAL 18 2HG2 VAL 18 1.661 -29.447 23.810 155 H ARG 19 H ARG 19 0.874 -28.341 18.921 156 HA ARG 19 HA ARG 19 -0.837 -26.053 18.621 157 HB2 ARG 19 2HB ARG 19 1.431 -27.172 16.972 158 HB3 ARG 19 3HB ARG 19 0.553 -25.725 16.505 159 HG2 ARG 19 2HG ARG 19 1.932 -25.993 19.163 160 HG3 ARG 19 3HG ARG 19 2.741 -25.387 17.719 161 HD2 ARG 19 2HD ARG 19 0.882 -23.676 17.543 162 HD3 ARG 19 3HD ARG 19 0.373 -24.190 19.151 163 HE ARG 19 HE ARG 19 2.485 -23.396 20.001 164 HH11 ARG 19 1HH1 ARG 19 1.667 -22.395 16.806 165 HH12 ARG 19 2HH1 ARG 19 2.805 -21.093 16.795 166 HH21 ARG 19 1HH2 ARG 19 3.938 -21.698 19.983 167 HH22 ARG 19 2HH2 ARG 19 4.082 -20.718 18.564 168 H THR 20 H THR 20 -0.426 -29.098 16.837 169 HA THR 20 HA THR 20 -2.341 -28.241 14.793 170 HB THR 20 HB THR 20 -1.699 -30.310 13.607 171 HG1 THR 20 HG1 THR 20 0.464 -30.955 15.100 172 HG21 THR 20 3HG2 THR 20 0.631 -29.690 13.129 173 HG22 THR 20 1HG2 THR 20 0.655 -28.668 14.567 174 HG23 THR 20 2HG2 THR 20 -0.408 -28.268 13.216 175 H GLY 21 H GLY 21 -2.189 -30.445 17.508 176 HA2 GLY 21 2HA GLY 21 -4.107 -31.332 18.569 177 HA3 GLY 21 3HA GLY 21 -5.015 -31.109 17.085 178 H LEU 22 H LEU 22 -2.184 -32.486 16.158 179 HA LEU 22 HA LEU 22 -3.352 -35.110 15.854 180 HB2 LEU 22 2HB LEU 22 -0.719 -33.897 15.040 181 HB3 LEU 22 3HB LEU 22 -1.015 -35.616 14.874 182 HG LEU 22 HG LEU 22 -2.915 -35.134 13.365 183 HD11 LEU 22 1HD1 LEU 22 -2.014 -32.261 13.581 184 HD12 LEU 22 2HD1 LEU 22 -3.536 -32.922 14.181 185 HD13 LEU 22 3HD1 LEU 22 -3.212 -32.888 12.449 186 HD21 LEU 22 3HD2 LEU 22 -0.685 -35.593 12.464 187 HD22 LEU 22 1HD2 LEU 22 -0.302 -33.868 12.517 188 HD23 LEU 22 2HD2 LEU 22 -1.571 -34.462 11.443 189 H GLY 23 H GLY 23 -2.098 -37.098 16.418 190 HA2 GLY 23 2HA GLY 23 -0.837 -36.853 19.077 191 HA3 GLY 23 3HA GLY 23 -1.570 -38.310 18.423 192 H ALA 24 H ALA 24 0.942 -38.405 19.554 193 HA ALA 24 HA ALA 24 3.148 -37.948 17.922 194 HB1 ALA 24 3HB ALA 24 2.793 -40.173 19.934 195 HB2 ALA 24 1HB ALA 24 3.309 -38.527 20.293 196 HB3 ALA 24 2HB ALA 24 4.330 -39.574 19.308 197 H ARG 25 H ARG 25 1.039 -40.807 18.062 198 HA ARG 25 HA ARG 25 2.531 -42.456 16.319 199 HB2 ARG 25 2HB ARG 25 -0.481 -42.508 16.616 200 HB3 ARG 25 3HB ARG 25 0.569 -43.839 16.152 201 HG2 ARG 25 2HG ARG 25 0.468 -42.523 18.862 202 HG3 ARG 25 3HG ARG 25 -0.238 -44.078 18.435 203 HD2 ARG 25 2HD ARG 25 2.029 -44.933 17.921 204 HD3 ARG 25 3HD ARG 25 2.704 -43.383 18.437 205 HE ARG 25 HE ARG 25 1.089 -44.385 20.494 206 HH11 ARG 25 1HH1 ARG 25 4.100 -45.107 18.969 207 HH12 ARG 25 2HH1 ARG 25 4.734 -45.884 20.375 208 HH21 ARG 25 1HH2 ARG 25 1.916 -45.368 22.267 209 HH22 ARG 25 2HH2 ARG 25 3.510 -46.041 22.215 210 H GLN 26 H GLN 26 0.157 -39.940 15.684 211 HA GLN 26 HA GLN 26 -0.199 -40.544 12.910 212 HB2 GLN 26 2HB GLN 26 -0.752 -37.992 14.446 213 HB3 GLN 26 3HB GLN 26 -1.273 -38.306 12.795 214 HG2 GLN 26 2HG GLN 26 -2.653 -40.162 13.571 215 HG3 GLN 26 3HG GLN 26 -2.110 -39.883 15.226 216 HE21 GLN 26 1HE2 GLN 26 -4.106 -38.707 12.633 217 HE22 GLN 26 2HE2 GLN 26 -4.987 -37.557 13.571 218 H ILE 27 H ILE 27 1.722 -38.095 14.657 219 HA ILE 27 HA ILE 27 2.783 -36.766 12.439 220 HB ILE 27 HB ILE 27 4.177 -37.200 15.094 221 HG12 ILE 27 2HG1 ILE 27 2.299 -34.974 14.241 222 HG13 ILE 27 3HG1 ILE 27 1.882 -36.274 15.350 223 HG21 ILE 27 1HG2 ILE 27 4.519 -35.036 13.005 224 HG22 ILE 27 2HG2 ILE 27 5.664 -36.332 13.353 225 HG23 ILE 27 3HG2 ILE 27 5.337 -35.095 14.567 226 HD11 ILE 27 3HD1 ILE 27 3.577 -35.472 16.918 227 HD12 ILE 27 1HD1 ILE 27 2.378 -34.233 16.547 228 HD13 ILE 27 2HD1 ILE 27 3.976 -34.161 15.806 229 H GLU 28 H GLU 28 4.229 -39.471 14.299 230 HA GLU 28 HA GLU 28 6.508 -39.783 12.675 231 HB2 GLU 28 2HB GLU 28 6.731 -42.006 13.694 232 HB3 GLU 28 3HB GLU 28 6.368 -40.775 14.897 233 HG2 GLU 28 2HG GLU 28 4.014 -41.480 14.891 234 HG3 GLU 28 3HG GLU 28 4.408 -42.738 13.719 235 H SER 29 H SER 29 3.247 -41.092 12.368 236 HA SER 29 HA SER 29 3.728 -42.944 10.294 237 HB2 SER 29 2HB SER 29 1.624 -42.915 11.562 238 HB3 SER 29 3HB SER 29 1.211 -41.346 10.875 239 HG SER 29 HG SER 29 1.069 -43.875 9.762 240 H TYR 30 H TYR 30 2.994 -39.471 10.207 241 HA TYR 30 HA TYR 30 3.004 -39.361 7.322 242 HB2 TYR 30 2HB TYR 30 3.076 -37.124 9.363 243 HB3 TYR 30 3HB TYR 30 2.832 -36.911 7.632 244 HD1 TYR 30 HD2 TYR 30 0.921 -38.948 6.898 245 HD2 TYR 30 HD1 TYR 30 1.086 -36.606 10.458 246 HE1 TYR 30 HE2 TYR 30 -1.501 -39.244 7.201 247 HE2 TYR 30 HE1 TYR 30 -1.337 -36.902 10.769 248 HH TYR 30 HH TYR 30 -3.346 -37.412 9.312 249 H ARG 31 H ARG 31 5.411 -39.262 9.770 250 HA ARG 31 HA ARG 31 7.427 -37.860 8.346 251 HB2 ARG 31 2HB ARG 31 7.590 -39.867 10.587 252 HB3 ARG 31 3HB ARG 31 9.018 -39.116 9.888 253 HG2 ARG 31 2HG ARG 31 8.049 -36.889 10.482 254 HG3 ARG 31 3HG ARG 31 6.763 -37.740 11.339 255 HD2 ARG 31 2HD ARG 31 8.571 -37.015 12.844 256 HD3 ARG 31 3HD ARG 31 8.384 -38.770 12.821 257 HE ARG 31 HE ARG 31 10.308 -38.204 10.934 258 HH11 ARG 31 1HH1 ARG 31 9.954 -37.642 14.312 259 HH12 ARG 31 2HH1 ARG 31 11.650 -37.748 14.612 260 HH21 ARG 31 1HH2 ARG 31 12.467 -38.322 11.328 261 HH22 ARG 31 2HH2 ARG 31 13.067 -38.107 12.938 262 H GLN 32 H GLN 32 6.018 -40.843 7.743 263 HA GLN 32 HA GLN 32 8.346 -42.115 6.583 264 HB2 GLN 32 2HB GLN 32 5.426 -42.896 6.383 265 HB3 GLN 32 3HB GLN 32 6.810 -43.910 5.988 266 HG2 GLN 32 2HG GLN 32 7.516 -43.862 8.330 267 HG3 GLN 32 3HG GLN 32 6.132 -42.843 8.729 268 HE21 GLN 32 1HE2 GLN 32 6.820 -45.467 9.758 269 HE22 GLN 32 2HE2 GLN 32 5.482 -46.492 9.396 270 H GLY 33 H GLY 33 6.587 -39.552 5.541 271 HA2 GLY 33 2HA GLY 33 7.524 -39.804 2.846 272 HA3 GLY 33 3HA GLY 33 5.790 -40.046 2.934 273 H ALA 34 H ALA 34 4.749 -38.203 4.458 274 HA ALA 34 HA ALA 34 4.838 -35.895 2.862 275 HB1 ALA 34 3HB ALA 34 3.276 -34.929 4.457 276 HB2 ALA 34 1HB ALA 34 3.667 -36.190 5.627 277 HB3 ALA 34 2HB ALA 34 2.863 -36.609 4.115 278 H TRP 35 H TRP 35 6.191 -36.416 6.137 279 HA TRP 35 HA TRP 35 7.220 -33.752 6.365 280 HB2 TRP 35 2HB TRP 35 7.663 -36.301 7.875 281 HB3 TRP 35 3HB TRP 35 8.710 -34.935 8.169 282 HD1 TRP 35 HD1 TRP 35 7.931 -34.686 10.643 283 HE1 TRP 35 HE1 TRP 35 5.803 -33.784 11.754 284 HE3 TRP 35 HE3 TRP 35 4.833 -34.578 6.559 285 HZ2 TRP 35 HZ2 TRP 35 3.182 -33.113 11.023 286 HZ3 TRP 35 HZ3 TRP 35 2.528 -33.780 6.870 287 HH2 TRP 35 HH2 TRP 35 1.719 -33.065 9.054 288 H ILE 36 H ILE 36 8.644 -33.094 4.831 289 HA ILE 36 HA ILE 36 10.806 -34.824 3.921 290 HB ILE 36 HB ILE 36 10.174 -31.961 3.151 291 HG12 ILE 36 2HG1 ILE 36 9.529 -34.554 1.707 292 HG13 ILE 36 3HG1 ILE 36 8.363 -33.547 2.560 293 HG21 ILE 36 1HG2 ILE 36 12.017 -33.984 1.866 294 HG22 ILE 36 2HG2 ILE 36 12.510 -32.541 2.750 295 HG23 ILE 36 3HG2 ILE 36 11.643 -32.386 1.224 296 HD11 ILE 36 3HD1 ILE 36 8.254 -33.199 0.160 297 HD12 ILE 36 1HD1 ILE 36 9.953 -32.731 0.139 298 HD13 ILE 36 2HD1 ILE 36 8.775 -31.730 0.987 299 H GLU 37 H GLU 37 12.744 -34.876 4.919 300 HA GLU 37 HA GLU 37 13.483 -33.231 7.073 301 HB2 GLU 37 2HB GLU 37 14.421 -35.560 6.154 302 HB3 GLU 37 3HB GLU 37 15.619 -34.515 5.408 303 HG2 GLU 37 2HG GLU 37 15.013 -34.662 8.363 304 HG3 GLU 37 3HG GLU 37 16.371 -35.437 7.555 305 H GLY 38 H GLY 38 14.543 -31.311 7.213 306 HA2 GLY 38 2HA GLY 38 15.823 -29.475 6.491 307 HA3 GLY 38 3HA GLY 38 15.785 -30.106 4.853 308 H VAL 39 H VAL 39 12.843 -30.450 4.911 309 HA VAL 39 HA VAL 39 12.161 -27.637 4.372 310 HB VAL 39 HB VAL 39 10.755 -30.138 3.397 311 HG11 VAL 39 1HG1 VAL 39 9.648 -28.612 1.804 312 HG12 VAL 39 2HG1 VAL 39 10.422 -27.241 2.597 313 HG13 VAL 39 3HG1 VAL 39 9.255 -28.226 3.478 314 HG21 VAL 39 3HG2 VAL 39 11.802 -29.671 1.230 315 HG22 VAL 39 1HG2 VAL 39 13.010 -29.981 2.476 316 HG23 VAL 39 2HG2 VAL 39 12.694 -28.329 1.947 317 H HIS 40 H HIS 40 10.175 -30.484 5.286 318 HA HIS 40 HA HIS 40 8.359 -28.790 6.762 319 HB2 HIS 40 2HB HIS 40 8.451 -31.774 6.300 320 HB3 HIS 40 3HB HIS 40 7.245 -31.019 7.333 321 HD1 HIS 40 HD1 HIS 40 7.903 -28.838 4.516 322 HD2 HIS 40 HD2 HIS 40 5.537 -32.189 5.214 323 HE1 HIS 40 HE1 HIS 40 6.216 -28.875 2.663 324 HE2 HIS 40 HE2 HIS 40 4.668 -30.769 3.235 325 H PHE 41 H PHE 41 11.266 -30.250 7.552 326 HA PHE 41 HA PHE 41 11.170 -29.346 10.232 327 HB2 PHE 41 2HB PHE 41 11.245 -31.385 11.485 328 HB3 PHE 41 3HB PHE 41 9.828 -31.482 10.446 329 HD1 PHE 41 HD1 PHE 41 9.887 -32.935 8.415 330 HD2 PHE 41 HD2 PHE 41 13.016 -32.949 11.304 331 HE1 PHE 41 HE1 PHE 41 10.681 -35.100 7.554 332 HE2 PHE 41 HE2 PHE 41 13.810 -35.106 10.445 333 HZ PHE 41 HZ PHE 41 12.642 -36.184 8.566 334 H LYS 42 H LYS 42 13.202 -29.947 11.438 335 HA LYS 42 HA LYS 42 15.360 -31.010 9.845 336 HB2 LYS 42 2HB LYS 42 15.725 -28.917 8.996 337 HB3 LYS 42 3HB LYS 42 15.054 -28.102 10.396 338 HG2 LYS 42 2HG LYS 42 17.369 -27.605 10.263 339 HG3 LYS 42 3HG LYS 42 17.102 -28.649 11.650 340 HD2 LYS 42 2HD LYS 42 19.105 -29.373 10.565 341 HD3 LYS 42 3HD LYS 42 17.866 -30.584 10.259 342 HE2 LYS 42 2HE LYS 42 18.302 -28.410 8.256 343 HE3 LYS 42 3HE LYS 42 19.455 -29.738 8.336 344 HZ1 LYS 42 3HZ LYS 42 17.732 -30.177 6.719 345 HZ2 LYS 42 1HZ LYS 42 16.533 -30.015 7.899 346 HZ3 LYS 42 2HZ LYS 42 17.632 -31.294 7.984 347 H ARG 43 H ARG 43 16.891 -31.932 11.011 348 HA ARG 43 HA ARG 43 16.605 -32.106 13.886 349 HB2 ARG 43 2HB ARG 43 18.649 -33.339 12.015 350 HB3 ARG 43 3HB ARG 43 18.445 -33.750 13.716 351 HG2 ARG 43 2HG ARG 43 16.329 -34.729 13.333 352 HG3 ARG 43 3HG ARG 43 16.216 -34.036 11.716 353 HD2 ARG 43 2HD ARG 43 16.720 -36.416 11.612 354 HD3 ARG 43 3HD ARG 43 18.055 -35.464 10.968 355 HE ARG 43 HE ARG 43 18.211 -36.342 13.752 356 HH11 ARG 43 1HH1 ARG 43 19.283 -36.630 10.491 357 HH12 ARG 43 2HH1 ARG 43 20.624 -37.638 10.903 358 HH21 ARG 43 1HH2 ARG 43 19.949 -37.593 14.278 359 HH22 ARG 43 2HH2 ARG 43 20.996 -38.182 13.035 360 H VAL 44 H VAL 44 17.283 -30.378 14.987 361 HA VAL 44 HA VAL 44 19.637 -28.877 14.105 362 HB VAL 44 HB VAL 44 17.447 -28.164 16.067 363 HG11 VAL 44 1HG1 VAL 44 19.522 -27.056 16.685 364 HG12 VAL 44 2HG1 VAL 44 18.369 -25.894 16.028 365 HG13 VAL 44 3HG1 VAL 44 19.714 -26.459 15.036 366 HG21 VAL 44 3HG2 VAL 44 16.670 -28.255 13.756 367 HG22 VAL 44 1HG2 VAL 44 17.980 -27.183 13.258 368 HG23 VAL 44 2HG2 VAL 44 16.711 -26.588 14.332 369 H SER 45 H SER 45 21.401 -28.491 15.375 370 HA SER 45 HA SER 45 21.897 -30.236 17.626 371 HB2 SER 45 2HB SER 45 23.732 -29.824 16.109 372 HB3 SER 45 3HB SER 45 23.579 -28.080 16.323 373 HG SER 45 HG SER 45 24.785 -29.979 17.939 374 HA PRO 46 HA PRO 46 20.680 -27.406 20.894 375 HB2 PRO 46 2HB PRO 46 22.812 -28.757 22.466 376 HB3 PRO 46 3HB PRO 46 21.088 -28.595 22.819 377 HG2 PRO 46 2HG PRO 46 22.109 -30.936 22.039 378 HG3 PRO 46 3HG PRO 46 20.509 -30.410 21.480 379 HD2 PRO 46 2HD PRO 46 23.137 -30.358 20.027 380 HD3 PRO 46 3HD PRO 46 21.524 -30.802 19.425 381 H SER 47 H SER 47 24.098 -27.971 20.154 382 HA SER 47 HA SER 47 24.833 -25.354 21.275 383 HB2 SER 47 2HB SER 47 26.230 -27.268 21.929 384 HB3 SER 47 3HB SER 47 26.599 -27.588 20.236 385 HG SER 47 HG SER 47 27.631 -25.690 21.949 386 H GLY 48 H GLY 48 25.103 -27.187 18.229 387 HA2 GLY 48 2HA GLY 48 24.559 -25.445 16.321 388 HA3 GLY 48 3HA GLY 48 26.101 -24.789 16.851 389 H GLU 49 H GLU 49 27.529 -27.102 17.334 390 HA GLU 49 HA GLU 49 28.206 -27.989 14.700 391 HB2 GLU 49 2HB GLU 49 29.149 -28.895 17.431 392 HB3 GLU 49 3HB GLU 49 29.835 -29.466 15.913 393 HG2 GLU 49 2HG GLU 49 30.560 -27.238 15.345 394 HG3 GLU 49 3HG GLU 49 29.757 -26.578 16.767 395 H LYS 50 H LYS 50 27.847 -29.953 13.723 396 HA LYS 50 HA LYS 50 25.313 -31.004 14.030 397 HB2 LYS 50 2HB LYS 50 27.708 -32.269 12.687 398 HB3 LYS 50 3HB LYS 50 26.041 -32.799 12.473 399 HG2 LYS 50 2HG LYS 50 25.462 -30.592 11.561 400 HG3 LYS 50 3HG LYS 50 27.137 -30.076 11.760 401 HD2 LYS 50 2HD LYS 50 26.199 -32.355 10.006 402 HD3 LYS 50 3HD LYS 50 26.624 -30.739 9.441 403 HE2 LYS 50 2HE LYS 50 28.914 -31.091 10.371 404 HE3 LYS 50 3HE LYS 50 28.456 -32.753 10.749 405 HZ1 LYS 50 3HZ LYS 50 29.624 -32.646 8.655 406 HZ2 LYS 50 1HZ LYS 50 28.511 -31.528 8.044 407 HZ3 LYS 50 2HZ LYS 50 28.022 -33.110 8.386 408 H THR 51 H THR 51 24.495 -32.064 15.669 409 HA THR 51 HA THR 51 26.052 -33.836 17.354 410 HB THR 51 HB THR 51 23.064 -33.304 17.439 411 HG1 THR 51 HG1 THR 51 24.882 -32.015 19.165 412 HG21 THR 51 3HG2 THR 51 23.790 -35.254 18.748 413 HG22 THR 51 1HG2 THR 51 23.255 -33.940 19.797 414 HG23 THR 51 2HG2 THR 51 24.978 -34.253 19.583 415 H LEU 52 H LEU 52 25.430 -36.094 17.747 416 HA LEU 52 HA LEU 52 25.122 -37.549 15.340 417 HB2 LEU 52 2HB LEU 52 24.931 -38.520 18.199 418 HB3 LEU 52 3HB LEU 52 25.026 -39.564 16.796 419 HG LEU 52 HG LEU 52 27.191 -39.520 17.762 420 HD11 LEU 52 1HD1 LEU 52 27.209 -37.635 15.406 421 HD12 LEU 52 2HD1 LEU 52 27.185 -39.399 15.328 422 HD13 LEU 52 3HD1 LEU 52 28.584 -38.565 16.005 423 HD21 LEU 52 3HD2 LEU 52 28.450 -37.461 18.197 424 HD22 LEU 52 1HD2 LEU 52 26.974 -37.544 19.159 425 HD23 LEU 52 2HD2 LEU 52 27.041 -36.505 17.736 426 H ARG 53 H ARG 53 22.888 -37.026 18.067 427 HA ARG 53 HA ARG 53 20.715 -38.328 16.636 428 HB2 ARG 53 2HB ARG 53 20.703 -36.855 19.282 429 HB3 ARG 53 3HB ARG 53 19.361 -37.784 18.628 430 HG2 ARG 53 2HG ARG 53 22.055 -38.858 19.456 431 HG3 ARG 53 3HG ARG 53 20.524 -39.074 20.304 432 HD2 ARG 53 2HD ARG 53 19.639 -40.356 18.432 433 HD3 ARG 53 3HD ARG 53 21.123 -40.081 17.517 434 HE ARG 53 HE ARG 53 21.246 -41.493 20.088 435 HH11 ARG 53 1HH1 ARG 53 21.592 -41.528 16.657 436 HH12 ARG 53 2HH1 ARG 53 22.432 -43.039 16.647 437 HH21 ARG 53 1HH2 ARG 53 22.330 -43.430 20.055 438 HH22 ARG 53 2HH2 ARG 53 22.837 -44.101 18.546 439 H GLY 54 H GLY 54 20.908 -35.103 18.190 440 HA2 GLY 54 2HA GLY 54 20.527 -33.014 17.189 441 HA3 GLY 54 3HA GLY 54 19.977 -33.825 15.735 442 H THR 55 H THR 55 18.988 -31.898 18.194 443 HA THR 55 HA THR 55 16.421 -32.928 18.861 444 HB THR 55 HB THR 55 17.293 -30.019 18.807 445 HG1 THR 55 HG1 THR 55 17.200 -31.439 21.206 446 HG21 THR 55 3HG2 THR 55 15.533 -29.713 20.513 447 HG22 THR 55 1HG2 THR 55 15.063 -31.403 20.318 448 HG23 THR 55 2HG2 THR 55 14.868 -30.272 18.978 449 H THR 56 H THR 56 14.771 -33.217 17.459 450 HA THR 56 HA THR 56 14.903 -31.956 14.848 451 HB THR 56 HB THR 56 12.943 -33.998 15.936 452 HG1 THR 56 HG1 THR 56 15.388 -34.397 15.388 453 HG21 THR 56 3HG2 THR 56 12.298 -34.354 13.591 454 HG22 THR 56 1HG2 THR 56 13.345 -33.021 13.100 455 HG23 THR 56 2HG2 THR 56 11.935 -32.709 14.111 456 H TRP 57 H TRP 57 14.136 -29.952 14.653 457 HA TRP 57 HA TRP 57 11.629 -29.195 15.988 458 HB2 TRP 57 2HB TRP 57 13.601 -27.499 14.425 459 HB3 TRP 57 3HB TRP 57 12.178 -26.896 15.267 460 HD1 TRP 57 HD1 TRP 57 15.583 -28.550 16.040 461 HE1 TRP 57 HE1 TRP 57 16.311 -27.835 18.400 462 HE3 TRP 57 HE3 TRP 57 11.391 -25.992 17.449 463 HZ2 TRP 57 HZ2 TRP 57 15.252 -26.384 20.572 464 HZ3 TRP 57 HZ3 TRP 57 11.324 -24.972 19.684 465 HH2 TRP 57 HH2 TRP 57 13.218 -25.165 21.216 466 H TYR 58 H TYR 58 9.754 -29.138 14.893 467 HA TYR 58 HA TYR 58 9.746 -29.734 12.032 468 HB2 TYR 58 2HB TYR 58 7.493 -29.694 14.058 469 HB3 TYR 58 3HB TYR 58 7.332 -30.193 12.377 470 HD1 TYR 58 HD1 TYR 58 8.800 -31.083 15.647 471 HD2 TYR 58 HD2 TYR 58 8.058 -32.370 11.659 472 HE1 TYR 58 HE1 TYR 58 9.408 -33.379 16.278 473 HE2 TYR 58 HE2 TYR 58 8.660 -34.669 12.281 474 HH TYR 58 HH TYR 58 8.875 -35.724 15.433 475 H ASN 59 H ASN 59 8.723 -28.488 10.475 476 HA ASN 59 HA ASN 59 8.497 -25.664 11.046 477 HB2 ASN 59 2HB ASN 59 9.622 -26.542 8.993 478 HB3 ASN 59 3HB ASN 59 8.052 -27.102 8.424 479 HD21 ASN 59 1HD2 ASN 59 8.417 -25.748 6.590 480 HD22 ASN 59 2HD2 ASN 59 8.093 -24.054 6.693 481 H TYR 60 H TYR 60 6.703 -25.293 12.244 482 HA TYR 60 HA TYR 60 4.256 -26.552 12.156 483 HB2 TYR 60 2HB TYR 60 4.778 -25.181 14.016 484 HB3 TYR 60 3HB TYR 60 5.009 -23.759 13.010 485 HD1 TYR 60 HD1 TYR 60 2.408 -26.118 14.261 486 HD2 TYR 60 HD2 TYR 60 3.219 -22.279 12.601 487 HE1 TYR 60 HE1 TYR 60 0.084 -25.438 14.691 488 HE2 TYR 60 HE2 TYR 60 0.896 -21.598 13.026 489 HH TYR 60 HH TYR 60 -1.177 -23.288 15.044 490 HA PRO 61 HA PRO 61 2.515 -22.881 9.256 491 HB2 PRO 61 2HB PRO 61 5.038 -22.620 7.656 492 HB3 PRO 61 3HB PRO 61 3.805 -21.405 8.020 493 HG2 PRO 61 2HG PRO 61 6.114 -21.387 9.336 494 HG3 PRO 61 3HG PRO 61 4.592 -21.068 10.194 495 HD2 PRO 61 2HD PRO 61 6.279 -23.538 10.173 496 HD3 PRO 61 3HD PRO 61 5.350 -22.817 11.502 497 H GLU 62 H GLU 62 4.936 -25.240 8.147 498 HA GLU 62 HA GLU 62 3.483 -25.800 5.715 499 HB2 GLU 62 2HB GLU 62 6.005 -26.867 6.943 500 HB3 GLU 62 3HB GLU 62 5.255 -27.689 5.568 501 HG2 GLU 62 2HG GLU 62 5.296 -25.353 4.447 502 HG3 GLU 62 3HG GLU 62 6.477 -24.957 5.697 503 H ILE 63 H ILE 63 3.725 -27.280 8.896 504 HA ILE 63 HA ILE 63 2.463 -29.725 8.127 505 HB ILE 63 HB ILE 63 2.704 -28.442 10.853 506 HG12 ILE 63 2HG1 ILE 63 4.277 -30.645 9.484 507 HG13 ILE 63 3HG1 ILE 63 4.850 -29.011 9.790 508 HG21 ILE 63 1HG2 ILE 63 1.807 -31.230 10.105 509 HG22 ILE 63 2HG2 ILE 63 0.822 -29.980 10.866 510 HG23 ILE 63 3HG2 ILE 63 2.174 -30.695 11.744 511 HD11 ILE 63 3HD1 ILE 63 4.773 -29.420 12.178 512 HD12 ILE 63 1HD1 ILE 63 5.778 -30.614 11.357 513 HD13 ILE 63 2HD1 ILE 63 4.154 -31.047 11.890 514 H ASN 64 H ASN 64 1.217 -26.657 9.478 515 HA ASN 64 HA ASN 64 -1.521 -27.328 9.374 516 HB2 ASN 64 2HB ASN 64 -0.132 -24.665 9.010 517 HB3 ASN 64 3HB ASN 64 -1.882 -24.839 9.100 518 HD21 ASN 64 1HD2 ASN 64 -2.034 -23.631 10.962 519 HD22 ASN 64 2HD2 ASN 64 -1.494 -24.207 12.496 520 H LYS 65 H LYS 65 0.668 -26.061 6.904 521 HA LYS 65 HA LYS 65 -1.081 -25.777 4.747 522 HB2 LYS 65 2HB LYS 65 1.193 -24.993 4.624 523 HB3 LYS 65 3HB LYS 65 1.824 -26.610 4.888 524 HG2 LYS 65 2HG LYS 65 0.932 -27.288 2.685 525 HG3 LYS 65 3HG LYS 65 0.393 -25.624 2.421 526 HD2 LYS 65 2HD LYS 65 2.695 -24.830 2.594 527 HD3 LYS 65 3HD LYS 65 3.254 -26.470 2.934 528 HE2 LYS 65 2HE LYS 65 3.687 -25.904 0.620 529 HE3 LYS 65 3HE LYS 65 2.472 -27.176 0.713 530 HZ1 LYS 65 3HZ LYS 65 1.800 -24.306 0.389 531 HZ2 LYS 65 1HZ LYS 65 0.764 -25.631 0.218 532 HZ3 LYS 65 2HZ LYS 65 1.993 -25.368 -0.909 533 H PHE 66 H PHE 66 0.534 -28.687 5.997 534 HA PHE 66 HA PHE 66 -0.518 -30.465 4.022 535 HB2 PHE 66 2HB PHE 66 1.474 -31.047 5.315 536 HB3 PHE 66 3HB PHE 66 0.541 -31.025 6.808 537 HD1 PHE 66 HD2 PHE 66 0.799 -32.754 3.521 538 HD2 PHE 66 HD1 PHE 66 -0.501 -32.979 7.572 539 HE1 PHE 66 HE2 PHE 66 0.281 -35.142 3.222 540 HE2 PHE 66 HE1 PHE 66 -1.023 -35.363 7.277 541 HZ PHE 66 HZ PHE 66 -0.630 -36.446 5.099 542 H ILE 67 H ILE 67 -1.565 -29.529 7.289 543 HA ILE 67 HA ILE 67 -3.725 -31.229 7.641 544 HB ILE 67 HB ILE 67 -3.426 -28.344 8.508 545 HG12 ILE 67 2HG1 ILE 67 -3.010 -30.958 9.996 546 HG13 ILE 67 3HG1 ILE 67 -1.737 -29.891 9.418 547 HG21 ILE 67 1HG2 ILE 67 -5.462 -30.379 9.433 548 HG22 ILE 67 2HG2 ILE 67 -5.796 -28.922 8.495 549 HG23 ILE 67 3HG2 ILE 67 -5.202 -28.788 10.149 550 HD11 ILE 67 3HD1 ILE 67 -2.538 -28.138 10.937 551 HD12 ILE 67 1HD1 ILE 67 -2.072 -29.609 11.790 552 HD13 ILE 67 2HD1 ILE 67 -3.777 -29.243 11.533 553 H ARG 68 H ARG 68 -3.585 -28.191 5.812 554 HA ARG 68 HA ARG 68 -6.267 -27.865 5.170 555 HB2 ARG 68 2HB ARG 68 -3.846 -27.314 3.438 556 HB3 ARG 68 3HB ARG 68 -5.469 -26.728 3.097 557 HG2 ARG 68 2HG ARG 68 -3.760 -26.015 5.478 558 HG3 ARG 68 3HG ARG 68 -4.160 -24.975 4.111 559 HD2 ARG 68 2HD ARG 68 -6.044 -26.034 6.222 560 HD3 ARG 68 3HD ARG 68 -5.554 -24.360 5.966 561 HE ARG 68 HE ARG 68 -6.813 -25.441 3.655 562 HH11 ARG 68 1HH1 ARG 68 -7.449 -24.101 6.756 563 HH12 ARG 68 2HH1 ARG 68 -9.049 -23.608 6.328 564 HH21 ARG 68 1HH2 ARG 68 -8.846 -24.812 3.118 565 HH22 ARG 68 2HH2 ARG 68 -9.837 -24.005 4.287 566 H ASP 69 H ASP 69 -3.902 -30.049 3.704 567 HA ASP 69 HA ASP 69 -5.803 -30.999 1.724 568 HB2 ASP 69 2HB ASP 69 -3.373 -30.806 1.219 569 HB3 ASP 69 3HB ASP 69 -3.048 -32.060 2.415 570 H SER 70 H SER 70 -4.684 -31.911 4.898 571 HA SER 70 HA SER 70 -5.462 -34.605 4.995 572 HB2 SER 70 2HB SER 70 -4.162 -33.685 6.803 573 HB3 SER 70 3HB SER 70 -5.423 -32.517 7.189 574 HG SER 70 HG SER 70 -6.017 -35.267 7.252 575 H LEU 71 H LEU 71 -7.378 -31.674 5.407 576 HA LEU 71 HA LEU 71 -9.760 -33.030 6.244 577 HB2 LEU 71 2HB LEU 71 -9.153 -30.227 5.356 578 HB3 LEU 71 3HB LEU 71 -10.814 -30.747 5.553 579 HG LEU 71 HG LEU 71 -10.065 -29.576 7.542 580 HD11 LEU 71 1HD1 LEU 71 -10.586 -31.260 9.237 581 HD12 LEU 71 2HD1 LEU 71 -10.358 -32.536 8.042 582 HD13 LEU 71 3HD1 LEU 71 -11.670 -31.372 7.850 583 HD21 LEU 71 3HD2 LEU 71 -7.927 -31.694 7.783 584 HD22 LEU 71 1HD2 LEU 71 -8.279 -30.431 8.962 585 HD23 LEU 71 2HD2 LEU 71 -7.665 -29.999 7.366 586 H GLU 72 H GLU 72 -8.322 -32.445 3.166 587 HA GLU 72 HA GLU 72 -10.600 -32.330 1.527 588 HB2 GLU 72 2HB GLU 72 -7.800 -33.312 0.961 589 HB3 GLU 72 3HB GLU 72 -9.038 -33.182 -0.279 590 HG2 GLU 72 2HG GLU 72 -8.079 -30.878 1.407 591 HG3 GLU 72 3HG GLU 72 -7.461 -31.265 -0.198 592 H HIS 73 H HIS 73 -12.186 -33.803 1.742 593 HA HIS 73 HA HIS 73 -11.933 -36.540 2.238 594 HB2 HIS 73 2HB HIS 73 -14.246 -36.698 1.222 595 HB3 HIS 73 3HB HIS 73 -14.073 -35.518 2.515 596 HD1 HIS 73 HD1 HIS 73 -14.748 -33.156 1.988 597 HD2 HIS 73 HD2 HIS 73 -14.341 -35.478 -1.434 598 HE1 HIS 73 HE1 HIS 73 -15.562 -31.723 0.102 599 HE2 HIS 73 HE2 HIS 73 -15.160 -33.085 -1.969 600 H HIS 74 H HIS 74 -11.474 -38.289 1.005 601 HA HIS 74 HA HIS 74 -10.392 -37.915 -1.628 602 HB2 HIS 74 2HB HIS 74 -10.992 -40.516 -0.192 603 HB3 HIS 74 3HB HIS 74 -9.921 -40.304 -1.573 604 HD1 HIS 74 HD1 HIS 74 -7.819 -38.575 -1.005 605 HD2 HIS 74 HD2 HIS 74 -9.690 -40.463 2.190 606 HE1 HIS 74 HE1 HIS 74 -6.199 -38.433 0.902 607 HE2 HIS 74 HE2 HIS 74 -7.302 -39.671 2.790 608 H HIS 75 H HIS 75 -12.917 -40.214 -0.575 609 HA HIS 75 HA HIS 75 -14.674 -39.319 -2.746 610 HB2 HIS 75 2HB HIS 75 -13.744 -42.173 -2.347 611 HB3 HIS 75 3HB HIS 75 -15.202 -41.771 -3.247 612 HD1 HIS 75 HD1 HIS 75 -14.912 -40.757 -5.586 613 HD2 HIS 75 HD2 HIS 75 -11.316 -41.556 -3.660 614 HE1 HIS 75 HE1 HIS 75 -13.144 -40.556 -7.353 615 HE2 HIS 75 HE2 HIS 75 -10.983 -41.080 -6.183 616 H HIS 76 H HIS 76 -16.466 -38.704 -1.705 617 HA HIS 76 HA HIS 76 -17.200 -39.686 0.879 618 HB2 HIS 76 2HB HIS 76 -17.638 -37.370 0.071 619 HB3 HIS 76 3HB HIS 76 -18.825 -38.010 -1.058 620 HD1 HIS 76 HD1 HIS 76 -18.251 -38.169 2.721 621 HD2 HIS 76 HD2 HIS 76 -21.322 -37.825 -0.060 622 HE1 HIS 76 HE1 HIS 76 -20.349 -37.886 4.063 623 HE2 HIS 76 HE2 HIS 76 -22.201 -37.919 2.366 624 H HIS 77 H HIS 77 -17.670 -41.858 0.877 625 HA HIS 77 HA HIS 77 -19.137 -43.095 -1.267 626 HB2 HIS 77 2HB HIS 77 -18.049 -44.192 1.330 627 HB3 HIS 77 3HB HIS 77 -18.870 -45.179 0.127 628 HD1 HIS 77 HD1 HIS 77 -15.601 -43.722 0.959 629 HD2 HIS 77 HD2 HIS 77 -17.438 -45.376 -2.382 630 HE1 HIS 77 HE1 HIS 77 -13.743 -44.240 -0.645 631 HE2 HIS 77 HE2 HIS 77 -14.859 -45.426 -2.559 632 H HIS 78 H HIS 78 -20.356 -41.339 1.258 633 HA HIS 78 HA HIS 78 -22.921 -42.779 1.034 634 HB2 HIS 78 2HB HIS 78 -21.748 -41.708 3.614 635 HB3 HIS 78 3HB HIS 78 -23.406 -42.271 3.434 636 HD1 HIS 78 HD1 HIS 78 -19.996 -43.434 4.080 637 HD2 HIS 78 HD2 HIS 78 -23.606 -45.115 2.899 638 HE1 HIS 78 HE1 HIS 78 -19.735 -45.902 4.436 639 HE2 HIS 78 HE2 HIS 78 -21.875 -46.908 3.597 Start of MODEL 17 1 H1 MET 1 1H MET 1 7.812 -3.600 -2.221 2 H2 MET 1 2H MET 1 7.122 -4.450 -3.507 3 H3 MET 1 3H MET 1 8.614 -3.686 -3.707 4 HA MET 1 HA MET 1 8.890 -6.059 -3.470 5 HB2 MET 1 2HB MET 1 9.888 -4.449 -1.109 6 HB3 MET 1 3HB MET 1 10.505 -6.029 -1.574 7 HG2 MET 1 2HG MET 1 10.647 -3.500 -3.205 8 HG3 MET 1 3HG MET 1 11.979 -4.292 -2.360 9 HE1 MET 1 3HE MET 1 12.165 -3.491 -5.434 10 HE2 MET 1 1HE MET 1 12.903 -4.949 -6.099 11 HE3 MET 1 2HE MET 1 13.454 -4.311 -4.551 12 H ALA 2 H ALA 2 6.805 -7.056 -3.138 13 HA ALA 2 HA ALA 2 6.056 -7.524 -0.332 14 HB1 ALA 2 3HB ALA 2 3.971 -8.429 -1.213 15 HB2 ALA 2 1HB ALA 2 4.562 -8.217 -2.862 16 HB3 ALA 2 2HB ALA 2 4.271 -6.808 -1.840 17 H GLN 3 H GLN 3 7.322 -9.112 0.493 18 HA GLN 3 HA GLN 3 7.375 -11.700 -0.932 19 HB2 GLN 3 2HB GLN 3 9.689 -10.525 0.631 20 HB3 GLN 3 3HB GLN 3 9.677 -12.067 -0.209 21 HG2 GLN 3 2HG GLN 3 9.425 -10.892 -2.352 22 HG3 GLN 3 3HG GLN 3 9.472 -9.350 -1.500 23 HE21 GLN 3 1HE2 GLN 3 11.444 -12.146 -0.710 24 HE22 GLN 3 2HE2 GLN 3 12.951 -11.438 -1.166 25 H ILE 4 H ILE 4 7.745 -13.577 0.481 26 HA ILE 4 HA ILE 4 6.285 -13.291 2.983 27 HB ILE 4 HB ILE 4 7.375 -15.788 1.661 28 HG12 ILE 4 2HG1 ILE 4 5.700 -14.667 0.266 29 HG13 ILE 4 3HG1 ILE 4 5.062 -16.173 0.916 30 HG21 ILE 4 1HG2 ILE 4 5.392 -15.494 3.921 31 HG22 ILE 4 2HG2 ILE 4 7.041 -16.104 4.054 32 HG23 ILE 4 3HG2 ILE 4 5.841 -17.009 3.135 33 HD11 ILE 4 3HD1 ILE 4 3.397 -14.415 0.965 34 HD12 ILE 4 1HD1 ILE 4 4.463 -13.403 1.938 35 HD13 ILE 4 2HD1 ILE 4 3.824 -14.907 2.603 36 H ILE 5 H ILE 5 7.733 -12.257 4.405 37 HA ILE 5 HA ILE 5 10.230 -13.670 5.059 38 HB ILE 5 HB ILE 5 9.235 -10.920 5.830 39 HG12 ILE 5 2HG1 ILE 5 11.439 -10.246 4.778 40 HG13 ILE 5 3HG1 ILE 5 11.622 -11.912 4.242 41 HG21 ILE 5 1HG2 ILE 5 10.276 -11.866 7.813 42 HG22 ILE 5 2HG2 ILE 5 11.320 -10.627 7.116 43 HG23 ILE 5 3HG2 ILE 5 11.696 -12.335 6.875 44 HD11 ILE 5 3HD1 ILE 5 9.395 -10.043 3.462 45 HD12 ILE 5 1HD1 ILE 5 9.604 -11.703 2.900 46 HD13 ILE 5 2HD1 ILE 5 10.791 -10.473 2.475 47 H PHE 6 H PHE 6 10.017 -15.247 6.498 48 HA PHE 6 HA PHE 6 9.655 -16.363 8.421 49 HB2 PHE 6 2HB PHE 6 10.728 -14.280 9.322 50 HB3 PHE 6 3HB PHE 6 9.117 -13.669 9.684 51 HD1 PHE 6 HD1 PHE 6 11.162 -16.750 10.259 52 HD2 PHE 6 HD2 PHE 6 8.345 -13.980 11.850 53 HE1 PHE 6 HE1 PHE 6 11.225 -17.929 12.421 54 HE2 PHE 6 HE2 PHE 6 8.405 -15.155 14.009 55 HZ PHE 6 HZ PHE 6 9.845 -17.131 14.297 56 H ASN 7 H ASN 7 7.126 -15.109 6.814 57 HA ASN 7 HA ASN 7 5.024 -15.513 8.721 58 HB2 ASN 7 2HB ASN 7 4.758 -14.152 6.628 59 HB3 ASN 7 3HB ASN 7 4.822 -15.646 5.698 60 HD21 ASN 7 1HD2 ASN 7 3.104 -17.140 5.913 61 HD22 ASN 7 2HD2 ASN 7 1.556 -16.641 6.492 62 H GLU 8 H GLU 8 5.954 -17.520 9.578 63 HA GLU 8 HA GLU 8 5.075 -19.904 8.087 64 HB2 GLU 8 2HB GLU 8 7.731 -19.589 9.516 65 HB3 GLU 8 3HB GLU 8 7.123 -21.095 8.844 66 HG2 GLU 8 2HG GLU 8 7.179 -20.118 6.602 67 HG3 GLU 8 3HG GLU 8 7.790 -18.607 7.276 68 H GLU 9 H GLU 9 5.716 -21.856 9.815 69 HA GLU 9 HA GLU 9 4.842 -21.195 12.506 70 HB2 GLU 9 2HB GLU 9 2.756 -21.505 11.123 71 HB3 GLU 9 3HB GLU 9 3.266 -23.157 10.815 72 HG2 GLU 9 2HG GLU 9 1.681 -23.269 12.547 73 HG3 GLU 9 3HG GLU 9 3.252 -23.512 13.306 74 H TRP 10 H TRP 10 6.350 -22.236 13.701 75 HA TRP 10 HA TRP 10 7.263 -24.919 12.838 76 HB2 TRP 10 2HB TRP 10 8.845 -22.671 14.108 77 HB3 TRP 10 3HB TRP 10 9.441 -24.322 13.993 78 HD1 TRP 10 HD1 TRP 10 8.055 -21.676 11.467 79 HE1 TRP 10 HE1 TRP 10 9.505 -21.801 9.337 80 HE3 TRP 10 HE3 TRP 10 11.212 -25.468 12.843 81 HZ2 TRP 10 HZ2 TRP 10 11.686 -23.296 8.377 82 HZ3 TRP 10 HZ3 TRP 10 12.954 -26.182 11.253 83 HH2 TRP 10 HH2 TRP 10 13.183 -25.116 9.067 84 H MET 11 H MET 11 7.541 -26.518 14.440 85 HA MET 11 HA MET 11 7.162 -25.951 17.233 86 HB2 MET 11 2HB MET 11 4.999 -27.022 17.521 87 HB3 MET 11 3HB MET 11 4.859 -25.668 16.409 88 HG2 MET 11 2HG MET 11 5.099 -27.393 14.543 89 HG3 MET 11 3HG MET 11 4.803 -28.601 15.793 90 HE1 MET 11 3HE MET 11 1.836 -25.339 14.480 91 HE2 MET 11 1HE MET 11 3.441 -25.590 13.799 92 HE3 MET 11 2HE MET 11 3.269 -24.959 15.436 93 H VAL 12 H VAL 12 6.829 -28.021 18.526 94 HA VAL 12 HA VAL 12 8.489 -30.164 17.434 95 HB VAL 12 HB VAL 12 8.476 -31.084 19.721 96 HG11 VAL 12 1HG1 VAL 12 9.739 -29.286 20.811 97 HG12 VAL 12 2HG1 VAL 12 9.126 -28.134 19.623 98 HG13 VAL 12 3HG1 VAL 12 10.184 -29.450 19.113 99 HG21 VAL 12 3HG2 VAL 12 6.222 -30.381 20.391 100 HG22 VAL 12 1HG2 VAL 12 6.749 -28.698 20.415 101 HG23 VAL 12 2HG2 VAL 12 7.428 -29.852 21.564 102 H GLU 13 H GLU 13 7.687 -32.455 18.437 103 HA GLU 13 HA GLU 13 5.579 -33.296 16.809 104 HB2 GLU 13 2HB GLU 13 7.229 -34.862 17.569 105 HB3 GLU 13 3HB GLU 13 6.816 -34.567 19.251 106 HG2 GLU 13 2HG GLU 13 4.565 -35.546 18.803 107 HG3 GLU 13 3HG GLU 13 5.125 -35.967 17.185 108 H LYS 14 H LYS 14 5.527 -32.975 20.378 109 HA LYS 14 HA LYS 14 2.830 -33.724 20.647 110 HB2 LYS 14 2HB LYS 14 4.587 -33.756 22.443 111 HB3 LYS 14 3HB LYS 14 4.408 -32.013 22.576 112 HG2 LYS 14 2HG LYS 14 1.940 -33.653 22.831 113 HG3 LYS 14 3HG LYS 14 3.104 -33.731 24.154 114 HD2 LYS 14 2HD LYS 14 1.929 -31.177 23.039 115 HD3 LYS 14 3HD LYS 14 1.346 -32.006 24.486 116 HE2 LYS 14 2HE LYS 14 3.600 -31.744 25.485 117 HE3 LYS 14 3HE LYS 14 4.097 -30.823 24.065 118 HZ1 LYS 14 3HZ LYS 14 1.931 -30.078 25.952 119 HZ2 LYS 14 1HZ LYS 14 2.382 -29.198 24.583 120 HZ3 LYS 14 2HZ LYS 14 3.462 -29.368 25.871 121 H ALA 15 H ALA 15 4.273 -30.584 20.018 122 HA ALA 15 HA ALA 15 1.808 -29.129 20.391 123 HB1 ALA 15 3HB ALA 15 3.006 -27.235 19.420 124 HB2 ALA 15 1HB ALA 15 4.337 -28.298 18.965 125 HB3 ALA 15 2HB ALA 15 3.975 -28.020 20.668 126 H LEU 16 H LEU 16 3.535 -30.572 17.692 127 HA LEU 16 HA LEU 16 2.073 -29.491 15.554 128 HB2 LEU 16 2HB LEU 16 4.271 -30.695 15.453 129 HB3 LEU 16 3HB LEU 16 3.419 -32.200 15.709 130 HG LEU 16 HG LEU 16 4.130 -31.663 13.327 131 HD11 LEU 16 1HD1 LEU 16 2.125 -32.581 12.319 132 HD12 LEU 16 2HD1 LEU 16 1.200 -32.215 13.775 133 HD13 LEU 16 3HD1 LEU 16 2.500 -33.407 13.830 134 HD21 LEU 16 3HD2 LEU 16 3.526 -29.305 13.307 135 HD22 LEU 16 1HD2 LEU 16 1.824 -29.723 13.502 136 HD23 LEU 16 2HD2 LEU 16 2.684 -30.180 12.030 137 H MET 17 H MET 17 1.648 -32.578 17.298 138 HA MET 17 HA MET 17 -0.486 -33.590 15.821 139 HB2 MET 17 2HB MET 17 -0.966 -35.028 17.727 140 HB3 MET 17 3HB MET 17 0.769 -34.910 17.477 141 HG2 MET 17 2HG MET 17 0.946 -33.325 19.315 142 HG3 MET 17 3HG MET 17 -0.800 -33.379 19.547 143 HE1 MET 17 3HE MET 17 1.683 -36.381 18.757 144 HE2 MET 17 1HE MET 17 2.067 -36.894 20.399 145 HE3 MET 17 2HE MET 17 2.578 -35.306 19.830 146 H VAL 18 H VAL 18 -0.530 -31.246 18.454 147 HA VAL 18 HA VAL 18 -3.302 -31.340 19.017 148 HB VAL 18 HB VAL 18 -1.367 -29.046 19.436 149 HG11 VAL 18 1HG1 VAL 18 -4.047 -29.583 20.733 150 HG12 VAL 18 2HG1 VAL 18 -3.692 -28.304 19.572 151 HG13 VAL 18 3HG1 VAL 18 -2.933 -28.283 21.163 152 HG21 VAL 18 3HG2 VAL 18 -2.183 -31.272 21.314 153 HG22 VAL 18 1HG2 VAL 18 -1.134 -29.914 21.718 154 HG23 VAL 18 2HG2 VAL 18 -0.615 -31.103 20.524 155 H ARG 19 H ARG 19 -1.417 -29.273 16.812 156 HA ARG 19 HA ARG 19 -3.764 -27.707 16.103 157 HB2 ARG 19 2HB ARG 19 -1.011 -27.597 14.856 158 HB3 ARG 19 3HB ARG 19 -2.263 -26.365 14.782 159 HG2 ARG 19 2HG ARG 19 -2.047 -26.070 17.247 160 HG3 ARG 19 3HG ARG 19 -0.700 -27.209 17.219 161 HD2 ARG 19 2HD ARG 19 0.405 -25.691 15.540 162 HD3 ARG 19 3HD ARG 19 -0.868 -24.518 15.872 163 HE ARG 19 HE ARG 19 0.357 -25.335 18.284 164 HH11 ARG 19 1HH1 ARG 19 0.865 -23.357 15.524 165 HH12 ARG 19 2HH1 ARG 19 2.055 -22.371 16.294 166 HH21 ARG 19 1HH2 ARG 19 1.839 -24.057 19.302 167 HH22 ARG 19 2HH2 ARG 19 2.589 -22.756 18.442 168 H THR 20 H THR 20 -2.213 -30.531 14.921 169 HA THR 20 HA THR 20 -3.378 -30.239 12.232 170 HB THR 20 HB THR 20 -2.036 -32.237 11.637 171 HG1 THR 20 HG1 THR 20 -0.507 -32.100 13.946 172 HG21 THR 20 3HG2 THR 20 0.182 -31.165 11.767 173 HG22 THR 20 1HG2 THR 20 -0.451 -30.013 12.944 174 HG23 THR 20 2HG2 THR 20 -1.070 -30.017 11.292 175 H GLY 21 H GLY 21 -3.751 -32.071 15.177 176 HA2 GLY 21 2HA GLY 21 -5.634 -33.341 15.766 177 HA3 GLY 21 3HA GLY 21 -6.121 -33.376 14.079 178 H LEU 22 H LEU 22 -2.864 -34.221 14.942 179 HA LEU 22 HA LEU 22 -3.395 -37.033 14.238 180 HB2 LEU 22 2HB LEU 22 -0.955 -35.289 14.097 181 HB3 LEU 22 3HB LEU 22 -0.774 -37.030 14.149 182 HG LEU 22 HG LEU 22 -2.084 -37.239 12.076 183 HD11 LEU 22 1HD1 LEU 22 -2.097 -34.219 12.038 184 HD12 LEU 22 2HD1 LEU 22 -3.501 -35.250 12.316 185 HD13 LEU 22 3HD1 LEU 22 -2.678 -35.283 10.758 186 HD21 LEU 22 3HD2 LEU 22 0.352 -37.046 11.962 187 HD22 LEU 22 1HD2 LEU 22 0.214 -35.290 11.844 188 HD23 LEU 22 2HD2 LEU 22 -0.419 -36.315 10.556 189 H GLY 23 H GLY 23 -1.601 -38.525 15.310 190 HA2 GLY 23 2HA GLY 23 -1.319 -37.854 18.181 191 HA3 GLY 23 3HA GLY 23 -1.782 -39.464 17.645 192 H ALA 24 H ALA 24 0.442 -39.110 19.272 193 HA ALA 24 HA ALA 24 2.895 -38.628 18.038 194 HB1 ALA 24 3HB ALA 24 2.349 -40.538 20.312 195 HB2 ALA 24 1HB ALA 24 2.594 -38.798 20.469 196 HB3 ALA 24 2HB ALA 24 3.909 -39.827 19.899 197 H ARG 25 H ARG 25 1.176 -41.721 18.393 198 HA ARG 25 HA ARG 25 3.153 -43.339 17.185 199 HB2 ARG 25 2HB ARG 25 1.138 -44.039 18.626 200 HB3 ARG 25 3HB ARG 25 0.187 -43.931 17.155 201 HG2 ARG 25 2HG ARG 25 2.636 -45.672 17.328 202 HG3 ARG 25 3HG ARG 25 1.055 -46.232 17.870 203 HD2 ARG 25 2HD ARG 25 0.138 -45.903 15.649 204 HD3 ARG 25 3HD ARG 25 1.661 -45.212 15.089 205 HE ARG 25 HE ARG 25 1.891 -47.892 16.132 206 HH11 ARG 25 1HH1 ARG 25 1.263 -45.999 13.316 207 HH12 ARG 25 2HH1 ARG 25 1.739 -47.263 12.238 208 HH21 ARG 25 1HH2 ARG 25 2.505 -49.481 14.733 209 HH22 ARG 25 2HH2 ARG 25 2.440 -49.199 13.026 210 H GLN 26 H GLN 26 0.476 -41.473 15.843 211 HA GLN 26 HA GLN 26 0.659 -42.518 13.190 212 HB2 GLN 26 2HB GLN 26 -1.323 -41.287 14.214 213 HB3 GLN 26 3HB GLN 26 -0.422 -39.798 13.961 214 HG2 GLN 26 2HG GLN 26 -0.346 -40.278 11.547 215 HG3 GLN 26 3HG GLN 26 -1.303 -41.733 11.822 216 HE21 GLN 26 1HE2 GLN 26 -1.957 -39.463 10.172 217 HE22 GLN 26 2HE2 GLN 26 -3.429 -38.810 10.796 218 H ILE 27 H ILE 27 2.027 -39.668 14.805 219 HA ILE 27 HA ILE 27 3.219 -38.504 12.515 220 HB ILE 27 HB ILE 27 3.991 -38.217 15.428 221 HG12 ILE 27 2HG1 ILE 27 2.267 -36.471 13.642 222 HG13 ILE 27 3HG1 ILE 27 1.670 -37.529 14.914 223 HG21 ILE 27 1HG2 ILE 27 4.766 -36.490 13.066 224 HG22 ILE 27 2HG2 ILE 27 5.842 -37.559 13.965 225 HG23 ILE 27 3HG2 ILE 27 5.135 -36.153 14.758 226 HD11 ILE 27 3HD1 ILE 27 1.709 -35.219 15.638 227 HD12 ILE 27 1HD1 ILE 27 3.437 -35.121 15.300 228 HD13 ILE 27 2HD1 ILE 27 2.847 -36.181 16.579 229 H GLU 28 H GLU 28 4.664 -40.558 15.087 230 HA GLU 28 HA GLU 28 7.256 -40.649 14.032 231 HB2 GLU 28 2HB GLU 28 7.641 -42.598 15.409 232 HB3 GLU 28 3HB GLU 28 6.651 -41.454 16.302 233 HG2 GLU 28 2HG GLU 28 4.678 -42.767 15.911 234 HG3 GLU 28 3HG GLU 28 5.564 -43.853 14.841 235 H SER 29 H SER 29 4.394 -42.475 13.161 236 HA SER 29 HA SER 29 5.575 -44.421 11.501 237 HB2 SER 29 2HB SER 29 3.245 -44.611 12.151 238 HB3 SER 29 3HB SER 29 2.850 -43.102 11.330 239 HG SER 29 HG SER 29 3.721 -45.530 10.127 240 H TYR 30 H TYR 30 4.571 -41.086 10.845 241 HA TYR 30 HA TYR 30 5.175 -41.194 8.041 242 HB2 TYR 30 2HB TYR 30 4.765 -38.816 9.871 243 HB3 TYR 30 3HB TYR 30 4.879 -38.729 8.116 244 HD1 TYR 30 HD2 TYR 30 3.215 -40.966 7.229 245 HD2 TYR 30 HD1 TYR 30 2.584 -38.225 10.425 246 HE1 TYR 30 HE2 TYR 30 0.787 -41.314 7.045 247 HE2 TYR 30 HE1 TYR 30 0.160 -38.569 10.247 248 HH TYR 30 HH TYR 30 -1.224 -41.105 8.559 249 H ARG 31 H ARG 31 6.974 -40.324 10.935 250 HA ARG 31 HA ARG 31 9.126 -38.979 9.690 251 HB2 ARG 31 2HB ARG 31 9.070 -40.523 12.286 252 HB3 ARG 31 3HB ARG 31 10.401 -39.498 11.767 253 HG2 ARG 31 2HG ARG 31 8.731 -37.596 11.674 254 HG3 ARG 31 3HG ARG 31 7.604 -38.671 12.502 255 HD2 ARG 31 2HD ARG 31 10.309 -37.787 13.520 256 HD3 ARG 31 3HD ARG 31 8.742 -37.220 14.094 257 HE ARG 31 HE ARG 31 9.521 -40.047 14.339 258 HH11 ARG 31 1HH1 ARG 31 8.570 -37.069 15.776 259 HH12 ARG 31 2HH1 ARG 31 8.143 -37.809 17.278 260 HH21 ARG 31 1HH2 ARG 31 9.072 -40.959 16.298 261 HH22 ARG 31 2HH2 ARG 31 8.460 -39.979 17.583 262 H GLN 32 H GLN 32 8.261 -42.212 9.500 263 HA GLN 32 HA GLN 32 10.965 -43.247 9.153 264 HB2 GLN 32 2HB GLN 32 8.268 -44.612 8.954 265 HB3 GLN 32 3HB GLN 32 9.830 -45.425 8.912 266 HG2 GLN 32 2HG GLN 32 10.290 -44.847 11.175 267 HG3 GLN 32 3HG GLN 32 8.921 -43.739 11.238 268 HE21 GLN 32 1HE2 GLN 32 7.995 -44.750 12.980 269 HE22 GLN 32 2HE2 GLN 32 7.265 -46.311 12.887 270 H GLY 33 H GLY 33 9.256 -41.389 7.195 271 HA2 GLY 33 2HA GLY 33 10.565 -42.191 4.837 272 HA3 GLY 33 3HA GLY 33 8.941 -42.853 4.798 273 H ALA 34 H ALA 34 7.404 -40.824 5.812 274 HA ALA 34 HA ALA 34 7.176 -39.149 3.525 275 HB1 ALA 34 3HB ALA 34 5.265 -38.155 4.668 276 HB2 ALA 34 1HB ALA 34 5.745 -38.936 6.175 277 HB3 ALA 34 2HB ALA 34 5.231 -39.913 4.800 278 H TRP 35 H TRP 35 8.261 -38.520 6.850 279 HA TRP 35 HA TRP 35 8.719 -35.726 6.455 280 HB2 TRP 35 2HB TRP 35 9.479 -37.709 8.567 281 HB3 TRP 35 3HB TRP 35 10.235 -36.129 8.562 282 HD1 TRP 35 HD1 TRP 35 9.148 -35.499 10.881 283 HE1 TRP 35 HE1 TRP 35 6.790 -34.757 11.569 284 HE3 TRP 35 HE3 TRP 35 6.554 -36.825 6.646 285 HZ2 TRP 35 HZ2 TRP 35 4.204 -34.725 10.500 286 HZ3 TRP 35 HZ3 TRP 35 4.139 -36.385 6.579 287 HH2 TRP 35 HH2 TRP 35 2.987 -35.358 8.466 288 H ILE 36 H ILE 36 10.345 -34.778 5.403 289 HA ILE 36 HA ILE 36 12.829 -36.298 4.881 290 HB ILE 36 HB ILE 36 11.606 -34.072 3.228 291 HG12 ILE 36 2HG1 ILE 36 11.801 -37.044 2.648 292 HG13 ILE 36 3HG1 ILE 36 10.329 -36.195 3.108 293 HG21 ILE 36 1HG2 ILE 36 14.045 -34.080 3.100 294 HG22 ILE 36 2HG2 ILE 36 13.339 -34.610 1.574 295 HG23 ILE 36 3HG2 ILE 36 14.029 -35.794 2.683 296 HD11 ILE 36 3HD1 ILE 36 11.923 -35.750 0.595 297 HD12 ILE 36 1HD1 ILE 36 10.464 -34.873 1.053 298 HD13 ILE 36 2HD1 ILE 36 10.386 -36.604 0.727 299 H GLU 37 H GLU 37 14.752 -35.422 5.557 300 HA GLU 37 HA GLU 37 14.817 -33.261 7.357 301 HB2 GLU 37 2HB GLU 37 17.219 -33.465 7.342 302 HB3 GLU 37 3HB GLU 37 16.516 -35.076 7.290 303 HG2 GLU 37 2HG GLU 37 17.092 -35.380 5.033 304 HG3 GLU 37 3HG GLU 37 17.404 -33.663 4.790 305 H GLY 38 H GLY 38 15.639 -31.148 7.183 306 HA2 GLY 38 2HA GLY 38 16.117 -29.127 6.169 307 HA3 GLY 38 3HA GLY 38 16.399 -29.990 4.664 308 H VAL 39 H VAL 39 14.090 -31.127 4.044 309 HA VAL 39 HA VAL 39 12.521 -28.965 3.089 310 HB VAL 39 HB VAL 39 11.894 -31.929 3.013 311 HG11 VAL 39 1HG1 VAL 39 9.947 -30.531 2.522 312 HG12 VAL 39 2HG1 VAL 39 10.505 -31.365 1.071 313 HG13 VAL 39 3HG1 VAL 39 10.870 -29.655 1.301 314 HG21 VAL 39 3HG2 VAL 39 12.917 -31.901 0.781 315 HG22 VAL 39 1HG2 VAL 39 14.081 -31.466 2.032 316 HG23 VAL 39 2HG2 VAL 39 13.374 -30.213 1.011 317 H HIS 40 H HIS 40 11.455 -31.754 5.105 318 HA HIS 40 HA HIS 40 9.140 -30.154 5.942 319 HB2 HIS 40 2HB HIS 40 9.692 -33.120 6.105 320 HB3 HIS 40 3HB HIS 40 8.276 -32.361 6.818 321 HD1 HIS 40 HD1 HIS 40 8.589 -30.517 3.842 322 HD2 HIS 40 HD2 HIS 40 7.423 -34.430 4.666 323 HE1 HIS 40 HE1 HIS 40 7.266 -31.270 1.848 324 HE2 HIS 40 HE2 HIS 40 6.664 -33.661 2.316 325 H PHE 41 H PHE 41 12.131 -31.251 7.247 326 HA PHE 41 HA PHE 41 11.571 -29.962 9.761 327 HB2 PHE 41 2HB PHE 41 11.836 -31.836 11.237 328 HB3 PHE 41 3HB PHE 41 10.593 -32.272 10.073 329 HD1 PHE 41 HD2 PHE 41 14.037 -32.908 11.187 330 HD2 PHE 41 HD1 PHE 41 10.966 -34.051 8.465 331 HE1 PHE 41 HE2 PHE 41 15.281 -34.956 10.655 332 HE2 PHE 41 HE1 PHE 41 12.217 -36.105 7.930 333 HZ PHE 41 HZ PHE 41 14.373 -36.558 9.022 334 H LYS 42 H LYS 42 13.567 -30.255 11.304 335 HA LYS 42 HA LYS 42 15.999 -31.160 10.063 336 HB2 LYS 42 2HB LYS 42 17.215 -28.982 10.276 337 HB3 LYS 42 3HB LYS 42 16.000 -29.026 9.012 338 HG2 LYS 42 2HG LYS 42 15.707 -26.930 9.953 339 HG3 LYS 42 3HG LYS 42 14.455 -27.887 10.736 340 HD2 LYS 42 2HD LYS 42 15.600 -26.430 12.336 341 HD3 LYS 42 3HD LYS 42 15.864 -28.132 12.720 342 HE2 LYS 42 2HE LYS 42 17.922 -26.822 12.967 343 HE3 LYS 42 3HE LYS 42 18.080 -28.031 11.697 344 HZ1 LYS 42 3HZ LYS 42 17.802 -26.355 10.044 345 HZ2 LYS 42 1HZ LYS 42 18.996 -25.825 11.116 346 HZ3 LYS 42 2HZ LYS 42 17.435 -25.177 11.198 347 H ARG 43 H ARG 43 17.828 -31.245 11.482 348 HA ARG 43 HA ARG 43 17.077 -31.757 14.221 349 HB2 ARG 43 2HB ARG 43 19.735 -31.943 12.784 350 HB3 ARG 43 3HB ARG 43 19.494 -32.415 14.460 351 HG2 ARG 43 2HG ARG 43 17.991 -34.172 13.813 352 HG3 ARG 43 3HG ARG 43 18.019 -33.635 12.131 353 HD2 ARG 43 2HD ARG 43 20.432 -34.621 13.663 354 HD3 ARG 43 3HD ARG 43 19.467 -35.611 12.570 355 HE ARG 43 HE ARG 43 20.176 -34.149 10.759 356 HH11 ARG 43 1HH1 ARG 43 21.969 -33.889 13.693 357 HH12 ARG 43 2HH1 ARG 43 23.384 -33.301 12.900 358 HH21 ARG 43 1HH2 ARG 43 21.986 -33.379 9.765 359 HH22 ARG 43 2HH2 ARG 43 23.398 -33.017 10.697 360 H VAL 44 H VAL 44 17.115 -30.314 15.830 361 HA VAL 44 HA VAL 44 18.909 -27.986 15.652 362 HB VAL 44 HB VAL 44 16.541 -28.428 17.493 363 HG11 VAL 44 1HG1 VAL 44 18.238 -26.984 18.506 364 HG12 VAL 44 2HG1 VAL 44 16.798 -26.062 18.079 365 HG13 VAL 44 3HG1 VAL 44 18.240 -25.961 17.068 366 HG21 VAL 44 3HG2 VAL 44 15.839 -28.152 15.175 367 HG22 VAL 44 1HG2 VAL 44 16.809 -26.685 15.037 368 HG23 VAL 44 2HG2 VAL 44 15.417 -26.725 16.119 369 H SER 45 H SER 45 20.834 -28.519 16.497 370 HA SER 45 HA SER 45 21.068 -30.214 18.852 371 HB2 SER 45 2HB SER 45 23.505 -30.022 18.469 372 HB3 SER 45 3HB SER 45 22.658 -30.521 17.004 373 HG SER 45 HG SER 45 22.786 -28.371 16.271 374 HA PRO 46 HA PRO 46 21.308 -27.387 22.198 375 HB2 PRO 46 2HB PRO 46 24.196 -28.173 22.461 376 HB3 PRO 46 3HB PRO 46 22.956 -28.020 23.714 377 HG2 PRO 46 2HG PRO 46 23.627 -30.418 22.775 378 HG3 PRO 46 3HG PRO 46 21.933 -30.030 23.134 379 HD2 PRO 46 2HD PRO 46 23.297 -30.314 20.505 380 HD3 PRO 46 3HD PRO 46 21.601 -30.611 20.936 381 H SER 47 H SER 47 24.380 -27.225 20.346 382 HA SER 47 HA SER 47 24.403 -24.297 20.734 383 HB2 SER 47 2HB SER 47 26.640 -26.192 19.973 384 HB3 SER 47 3HB SER 47 26.814 -24.443 20.119 385 HG SER 47 HG SER 47 26.740 -26.363 22.061 386 H GLY 48 H GLY 48 23.021 -26.046 18.518 387 HA2 GLY 48 2HA GLY 48 22.630 -25.879 16.245 388 HA3 GLY 48 3HA GLY 48 23.413 -24.307 16.311 389 H GLU 49 H GLU 49 24.901 -27.320 17.226 390 HA GLU 49 HA GLU 49 27.187 -26.759 15.528 391 HB2 GLU 49 2HB GLU 49 28.215 -28.643 16.801 392 HB3 GLU 49 3HB GLU 49 27.590 -27.363 17.833 393 HG2 GLU 49 2HG GLU 49 25.503 -28.762 18.105 394 HG3 GLU 49 3HG GLU 49 26.376 -30.067 17.310 395 H LYS 50 H LYS 50 24.365 -28.246 14.903 396 HA LYS 50 HA LYS 50 23.608 -29.611 13.260 397 HB2 LYS 50 2HB LYS 50 26.462 -29.454 12.268 398 HB3 LYS 50 3HB LYS 50 25.142 -30.197 11.374 399 HG2 LYS 50 2HG LYS 50 23.971 -28.038 11.320 400 HG3 LYS 50 3HG LYS 50 25.313 -27.298 12.196 401 HD2 LYS 50 2HD LYS 50 25.473 -26.860 9.790 402 HD3 LYS 50 3HD LYS 50 26.829 -27.837 10.353 403 HE2 LYS 50 2HE LYS 50 25.749 -29.856 9.496 404 HE3 LYS 50 3HE LYS 50 24.358 -28.904 8.978 405 HZ1 LYS 50 3HZ LYS 50 25.773 -27.711 7.443 406 HZ2 LYS 50 1HZ LYS 50 25.871 -29.375 7.150 407 HZ3 LYS 50 2HZ LYS 50 27.127 -28.582 7.960 408 H THR 51 H THR 51 25.566 -30.700 15.633 409 HA THR 51 HA THR 51 26.268 -33.310 14.809 410 HB THR 51 HB THR 51 25.646 -32.355 17.616 411 HG1 THR 51 HG1 THR 51 27.722 -31.692 17.704 412 HG21 THR 51 3HG2 THR 51 27.146 -34.202 18.310 413 HG22 THR 51 1HG2 THR 51 27.219 -34.743 16.633 414 HG23 THR 51 2HG2 THR 51 25.686 -34.781 17.507 415 H LEU 52 H LEU 52 25.269 -35.330 15.332 416 HA LEU 52 HA LEU 52 22.574 -35.466 14.583 417 HB2 LEU 52 2HB LEU 52 24.267 -37.562 15.947 418 HB3 LEU 52 3HB LEU 52 22.719 -37.867 15.186 419 HG LEU 52 HG LEU 52 24.337 -38.606 13.646 420 HD11 LEU 52 1HD1 LEU 52 23.497 -35.846 12.772 421 HD12 LEU 52 2HD1 LEU 52 22.560 -37.330 12.598 422 HD13 LEU 52 3HD1 LEU 52 24.072 -37.136 11.715 423 HD21 LEU 52 3HD2 LEU 52 25.795 -35.987 14.018 424 HD22 LEU 52 1HD2 LEU 52 26.237 -37.261 12.880 425 HD23 LEU 52 2HD2 LEU 52 26.309 -37.565 14.615 426 H ARG 53 H ARG 53 24.017 -35.410 17.779 427 HA ARG 53 HA ARG 53 21.634 -36.297 19.129 428 HB2 ARG 53 2HB ARG 53 24.101 -35.013 20.318 429 HB3 ARG 53 3HB ARG 53 22.884 -35.949 21.174 430 HG2 ARG 53 2HG ARG 53 24.709 -37.034 19.029 431 HG3 ARG 53 3HG ARG 53 24.962 -37.211 20.765 432 HD2 ARG 53 2HD ARG 53 22.964 -38.521 20.989 433 HD3 ARG 53 3HD ARG 53 22.506 -38.201 19.317 434 HE ARG 53 HE ARG 53 24.255 -39.640 18.597 435 HH11 ARG 53 1HH1 ARG 53 23.841 -39.631 22.022 436 HH12 ARG 53 2HH1 ARG 53 24.593 -41.176 22.215 437 HH21 ARG 53 1HH2 ARG 53 25.222 -41.611 18.872 438 HH22 ARG 53 2HH2 ARG 53 25.363 -42.277 20.460 439 H GLY 54 H GLY 54 20.096 -34.787 18.386 440 HA2 GLY 54 2HA GLY 54 19.846 -32.475 20.110 441 HA3 GLY 54 3HA GLY 54 20.035 -32.076 18.409 442 H THR 55 H THR 55 17.779 -31.223 19.592 443 HA THR 55 HA THR 55 15.641 -33.174 19.403 444 HB THR 55 HB THR 55 15.558 -30.199 19.973 445 HG1 THR 55 HG1 THR 55 14.881 -31.257 22.110 446 HG21 THR 55 3HG2 THR 55 13.428 -30.919 18.986 447 HG22 THR 55 1HG2 THR 55 13.231 -30.583 20.706 448 HG23 THR 55 2HG2 THR 55 13.332 -32.250 20.139 449 H THR 56 H THR 56 14.138 -33.383 17.799 450 HA THR 56 HA THR 56 14.755 -32.000 15.285 451 HB THR 56 HB THR 56 13.076 -34.469 15.801 452 HG1 THR 56 HG1 THR 56 15.322 -34.715 14.244 453 HG21 THR 56 3HG2 THR 56 13.921 -33.234 13.170 454 HG22 THR 56 1HG2 THR 56 12.282 -33.244 13.822 455 HG23 THR 56 2HG2 THR 56 13.059 -34.759 13.369 456 H TRP 57 H TRP 57 13.664 -30.117 15.118 457 HA TRP 57 HA TRP 57 10.868 -29.892 15.891 458 HB2 TRP 57 2HB TRP 57 12.832 -27.931 14.685 459 HB3 TRP 57 3HB TRP 57 11.141 -27.536 14.968 460 HD1 TRP 57 HD1 TRP 57 14.103 -28.885 17.108 461 HE1 TRP 57 HE1 TRP 57 13.985 -27.748 19.412 462 HE3 TRP 57 HE3 TRP 57 9.863 -26.113 16.427 463 HZ2 TRP 57 HZ2 TRP 57 12.311 -25.916 20.765 464 HZ3 TRP 57 HZ3 TRP 57 9.067 -24.696 18.271 465 HH2 TRP 57 HH2 TRP 57 10.265 -24.598 20.398 466 H TYR 58 H TYR 58 9.175 -29.296 14.404 467 HA TYR 58 HA TYR 58 9.641 -30.343 11.681 468 HB2 TYR 58 2HB TYR 58 7.043 -30.495 13.226 469 HB3 TYR 58 3HB TYR 58 7.418 -31.273 11.693 470 HD1 TYR 58 HD2 TYR 58 9.431 -32.962 11.746 471 HD2 TYR 58 HD1 TYR 58 7.264 -31.713 15.190 472 HE1 TYR 58 HE2 TYR 58 10.203 -34.963 12.951 473 HE2 TYR 58 HE1 TYR 58 8.037 -33.703 16.401 474 HH TYR 58 HH TYR 58 10.561 -35.604 15.406 475 H ASN 59 H ASN 59 8.664 -29.336 9.941 476 HA ASN 59 HA ASN 59 7.866 -26.559 10.341 477 HB2 ASN 59 2HB ASN 59 8.249 -28.121 7.769 478 HB3 ASN 59 3HB ASN 59 8.053 -26.377 7.904 479 HD21 ASN 59 1HD2 ASN 59 10.046 -26.045 6.876 480 HD22 ASN 59 2HD2 ASN 59 11.538 -26.316 7.693 481 H TYR 60 H TYR 60 5.764 -26.205 10.818 482 HA TYR 60 HA TYR 60 3.671 -28.004 10.431 483 HB2 TYR 60 2HB TYR 60 3.539 -26.212 12.064 484 HB3 TYR 60 3HB TYR 60 3.536 -25.004 10.786 485 HD1 TYR 60 HD1 TYR 60 1.547 -27.674 12.396 486 HD2 TYR 60 HD2 TYR 60 1.503 -24.446 9.612 487 HE1 TYR 60 HE1 TYR 60 -0.907 -27.754 12.342 488 HE2 TYR 60 HE2 TYR 60 -0.955 -24.522 9.556 489 HH TYR 60 HH TYR 60 -2.754 -26.194 9.996 490 HA PRO 61 HA PRO 61 2.277 -25.387 6.498 491 HB2 PRO 61 2HB PRO 61 4.439 -24.405 5.062 492 HB3 PRO 61 3HB PRO 61 3.413 -23.442 6.130 493 HG2 PRO 61 2HG PRO 61 6.080 -24.697 6.687 494 HG3 PRO 61 3HG PRO 61 5.477 -23.093 7.149 495 HD2 PRO 61 2HD PRO 61 5.559 -25.100 8.915 496 HD3 PRO 61 3HD PRO 61 4.214 -23.940 8.913 497 H GLU 62 H GLU 62 5.385 -27.067 6.594 498 HA GLU 62 HA GLU 62 5.165 -28.350 4.061 499 HB2 GLU 62 2HB GLU 62 6.773 -29.064 6.527 500 HB3 GLU 62 3HB GLU 62 6.950 -29.855 4.967 501 HG2 GLU 62 2HG GLU 62 7.396 -26.910 5.435 502 HG3 GLU 62 3HG GLU 62 8.670 -28.128 5.449 503 H ILE 63 H ILE 63 4.523 -29.465 7.392 504 HA ILE 63 HA ILE 63 3.573 -32.035 6.676 505 HB ILE 63 HB ILE 63 2.974 -30.380 9.138 506 HG12 ILE 63 2HG1 ILE 63 5.048 -32.536 8.653 507 HG13 ILE 63 3HG1 ILE 63 5.377 -30.810 8.766 508 HG21 ILE 63 1HG2 ILE 63 1.318 -32.157 8.859 509 HG22 ILE 63 2HG2 ILE 63 2.377 -32.492 10.228 510 HG23 ILE 63 3HG2 ILE 63 2.609 -33.349 8.705 511 HD11 ILE 63 3HD1 ILE 63 4.627 -30.826 11.086 512 HD12 ILE 63 1HD1 ILE 63 5.956 -31.951 10.818 513 HD13 ILE 63 2HD1 ILE 63 4.307 -32.557 10.973 514 H ASN 64 H ASN 64 1.946 -28.931 7.113 515 HA ASN 64 HA ASN 64 -0.717 -29.777 6.842 516 HB2 ASN 64 2HB ASN 64 -0.081 -27.530 7.627 517 HB3 ASN 64 3HB ASN 64 0.544 -27.140 6.029 518 HD21 ASN 64 1HD2 ASN 64 -0.885 -26.644 4.388 519 HD22 ASN 64 2HD2 ASN 64 -2.565 -26.360 4.673 520 H LYS 65 H LYS 65 1.733 -28.934 4.444 521 HA LYS 65 HA LYS 65 0.183 -29.104 2.113 522 HB2 LYS 65 2HB LYS 65 2.450 -28.189 2.158 523 HB3 LYS 65 3HB LYS 65 3.105 -29.767 2.560 524 HG2 LYS 65 2HG LYS 65 2.531 -30.630 0.392 525 HG3 LYS 65 3HG LYS 65 1.664 -29.144 -0.014 526 HD2 LYS 65 2HD LYS 65 3.761 -27.878 0.127 527 HD3 LYS 65 3HD LYS 65 4.629 -29.355 0.552 528 HE2 LYS 65 2HE LYS 65 3.104 -28.988 -2.025 529 HE3 LYS 65 3HE LYS 65 4.824 -28.647 -1.851 530 HZ1 LYS 65 3HZ LYS 65 3.518 -31.288 -1.439 531 HZ2 LYS 65 1HZ LYS 65 5.166 -30.963 -1.216 532 HZ3 LYS 65 2HZ LYS 65 4.479 -30.839 -2.753 533 H PHE 66 H PHE 66 1.863 -31.611 3.966 534 HA PHE 66 HA PHE 66 1.225 -33.811 2.300 535 HB2 PHE 66 2HB PHE 66 2.982 -34.031 3.937 536 HB3 PHE 66 3HB PHE 66 1.886 -33.635 5.255 537 HD1 PHE 66 HD2 PHE 66 2.542 -36.194 2.632 538 HD2 PHE 66 HD1 PHE 66 0.773 -35.331 6.412 539 HE1 PHE 66 HE2 PHE 66 2.084 -38.590 2.966 540 HE2 PHE 66 HE1 PHE 66 0.317 -37.721 6.752 541 HZ PHE 66 HZ PHE 66 0.973 -39.355 5.027 542 H ILE 67 H ILE 67 -0.327 -32.658 5.316 543 HA ILE 67 HA ILE 67 -2.440 -34.485 5.380 544 HB ILE 67 HB ILE 67 -2.412 -31.633 6.397 545 HG12 ILE 67 2HG1 ILE 67 -1.772 -34.250 7.791 546 HG13 ILE 67 3HG1 ILE 67 -0.600 -33.029 7.309 547 HG21 ILE 67 1HG2 ILE 67 -4.250 -33.928 7.107 548 HG22 ILE 67 2HG2 ILE 67 -4.693 -32.457 6.240 549 HG23 ILE 67 3HG2 ILE 67 -4.201 -32.368 7.931 550 HD11 ILE 67 3HD1 ILE 67 -2.779 -32.683 9.354 551 HD12 ILE 67 1HD1 ILE 67 -1.630 -31.440 8.855 552 HD13 ILE 67 2HD1 ILE 67 -1.058 -32.894 9.675 553 H ARG 68 H ARG 68 -2.202 -31.353 3.737 554 HA ARG 68 HA ARG 68 -4.829 -31.103 2.815 555 HB2 ARG 68 2HB ARG 68 -3.174 -29.304 2.637 556 HB3 ARG 68 3HB ARG 68 -2.246 -30.245 1.479 557 HG2 ARG 68 2HG ARG 68 -4.092 -30.104 -0.126 558 HG3 ARG 68 3HG ARG 68 -5.036 -29.175 1.040 559 HD2 ARG 68 2HD ARG 68 -3.362 -27.399 1.000 560 HD3 ARG 68 3HD ARG 68 -2.375 -28.336 -0.122 561 HE ARG 68 HE ARG 68 -4.807 -28.073 -1.357 562 HH11 ARG 68 1HH1 ARG 68 -2.472 -25.883 -0.081 563 HH12 ARG 68 2HH1 ARG 68 -2.814 -24.657 -1.244 564 HH21 ARG 68 1HH2 ARG 68 -5.242 -26.493 -2.862 565 HH22 ARG 68 2HH2 ARG 68 -4.365 -25.005 -2.814 566 H ASP 69 H ASP 69 -2.157 -33.024 1.571 567 HA ASP 69 HA ASP 69 -3.546 -33.765 -0.857 568 HB2 ASP 69 2HB ASP 69 -1.065 -33.478 -0.732 569 HB3 ASP 69 3HB ASP 69 -0.990 -34.897 0.310 570 H SER 70 H SER 70 -2.672 -35.363 2.202 571 HA SER 70 HA SER 70 -3.773 -37.904 1.465 572 HB2 SER 70 2HB SER 70 -3.004 -36.827 4.191 573 HB3 SER 70 3HB SER 70 -3.395 -38.510 3.838 574 HG SER 70 HG SER 70 -1.622 -38.243 2.182 575 H LEU 71 H LEU 71 -4.881 -35.398 3.767 576 HA LEU 71 HA LEU 71 -7.324 -36.798 4.334 577 HB2 LEU 71 2HB LEU 71 -6.257 -35.409 6.023 578 HB3 LEU 71 3HB LEU 71 -6.439 -33.990 5.010 579 HG LEU 71 HG LEU 71 -8.905 -34.167 5.225 580 HD11 LEU 71 1HD1 LEU 71 -8.296 -36.409 7.152 581 HD12 LEU 71 2HD1 LEU 71 -9.104 -36.562 5.592 582 HD13 LEU 71 3HD1 LEU 71 -9.875 -35.667 6.899 583 HD21 LEU 71 3HD2 LEU 71 -7.663 -32.720 6.735 584 HD22 LEU 71 1HD2 LEU 71 -7.412 -34.067 7.848 585 HD23 LEU 71 2HD2 LEU 71 -9.038 -33.448 7.563 586 H GLU 72 H GLU 72 -6.469 -33.968 2.386 587 HA GLU 72 HA GLU 72 -7.521 -32.820 0.748 588 HB2 GLU 72 2HB GLU 72 -9.350 -35.216 0.769 589 HB3 GLU 72 3HB GLU 72 -9.607 -33.853 -0.312 590 HG2 GLU 72 2HG GLU 72 -7.322 -34.210 -1.221 591 HG3 GLU 72 3HG GLU 72 -7.192 -35.651 -0.214 592 H HIS 73 H HIS 73 -9.994 -34.074 3.022 593 HA HIS 73 HA HIS 73 -11.924 -32.141 2.659 594 HB2 HIS 73 2HB HIS 73 -12.172 -34.212 4.026 595 HB3 HIS 73 3HB HIS 73 -11.241 -33.442 5.309 596 HD1 HIS 73 HD1 HIS 73 -14.584 -33.377 3.632 597 HD2 HIS 73 HD2 HIS 73 -12.651 -31.519 6.802 598 HE1 HIS 73 HE1 HIS 73 -16.378 -32.160 4.890 599 HE2 HIS 73 HE2 HIS 73 -15.216 -31.208 6.905 600 H HIS 74 H HIS 74 -11.649 -30.009 2.666 601 HA HIS 74 HA HIS 74 -9.679 -28.610 4.158 602 HB2 HIS 74 2HB HIS 74 -12.194 -27.495 2.882 603 HB3 HIS 74 3HB HIS 74 -10.755 -26.585 3.328 604 HD1 HIS 74 HD1 HIS 74 -12.183 -27.274 0.392 605 HD2 HIS 74 HD2 HIS 74 -8.487 -28.455 1.877 606 HE1 HIS 74 HE1 HIS 74 -10.801 -27.847 -1.621 607 HE2 HIS 74 HE2 HIS 74 -8.670 -28.786 -0.682 608 H HIS 75 H HIS 75 -9.855 -27.377 6.063 609 HA HIS 75 HA HIS 75 -12.330 -27.416 7.581 610 HB2 HIS 75 2HB HIS 75 -11.320 -28.664 9.496 611 HB3 HIS 75 3HB HIS 75 -11.541 -29.648 8.053 612 HD1 HIS 75 HD1 HIS 75 -9.400 -30.369 6.765 613 HD2 HIS 75 HD2 HIS 75 -8.659 -28.323 10.302 614 HE1 HIS 75 HE1 HIS 75 -6.965 -30.712 7.238 615 HE2 HIS 75 HE2 HIS 75 -6.588 -29.630 9.473 616 H HIS 76 H HIS 76 -12.313 -26.084 9.430 617 HA HIS 76 HA HIS 76 -9.848 -24.522 9.910 618 HB2 HIS 76 2HB HIS 76 -12.671 -23.478 9.596 619 HB3 HIS 76 3HB HIS 76 -11.410 -22.551 10.400 620 HD1 HIS 76 HD1 HIS 76 -9.995 -21.129 8.937 621 HD2 HIS 76 HD2 HIS 76 -11.995 -24.071 6.788 622 HE1 HIS 76 HE1 HIS 76 -9.517 -20.638 6.522 623 HE2 HIS 76 HE2 HIS 76 -10.837 -22.349 5.239 624 H HIS 77 H HIS 77 -9.435 -23.927 12.051 625 HA HIS 77 HA HIS 77 -10.803 -25.427 14.101 626 HB2 HIS 77 2HB HIS 77 -8.355 -25.021 14.180 627 HB3 HIS 77 3HB HIS 77 -8.659 -23.298 14.380 628 HD1 HIS 77 HD1 HIS 77 -8.903 -22.495 16.743 629 HD2 HIS 77 HD2 HIS 77 -9.397 -26.608 16.412 630 HE1 HIS 77 HE1 HIS 77 -9.085 -23.344 19.099 631 HE2 HIS 77 HE2 HIS 77 -9.586 -25.794 18.855 632 H HIS 78 H HIS 78 -10.770 -22.102 12.970 633 HA HIS 78 HA HIS 78 -13.157 -21.552 14.576 634 HB2 HIS 78 2HB HIS 78 -11.321 -20.729 15.958 635 HB3 HIS 78 3HB HIS 78 -10.684 -19.798 14.607 636 HD1 HIS 78 HD1 HIS 78 -11.531 -17.451 14.372 637 HD2 HIS 78 HD2 HIS 78 -13.899 -19.735 16.909 638 HE1 HIS 78 HE1 HIS 78 -13.180 -15.850 15.380 639 HE2 HIS 78 HE2 HIS 78 -14.527 -17.228 16.986 Start of MODEL 18 1 H1 MET 1 1H MET 1 -3.989 -1.282 6.346 2 H2 MET 1 2H MET 1 -2.461 -1.454 5.649 3 H3 MET 1 3H MET 1 -2.929 -2.478 6.903 4 HA MET 1 HA MET 1 -4.655 -3.440 5.529 5 HB2 MET 1 2HB MET 1 -5.017 -1.404 4.143 6 HB3 MET 1 3HB MET 1 -3.484 -1.703 3.335 7 HG2 MET 1 2HG MET 1 -4.361 -3.826 2.472 8 HG3 MET 1 3HG MET 1 -5.899 -3.510 3.276 9 HE1 MET 1 3HE MET 1 -6.811 -2.994 -0.495 10 HE2 MET 1 1HE MET 1 -7.196 -3.854 0.996 11 HE3 MET 1 2HE MET 1 -5.676 -4.177 0.158 12 H ALA 2 H ALA 2 -1.530 -2.564 3.980 13 HA ALA 2 HA ALA 2 -0.968 -5.257 3.181 14 HB1 ALA 2 3HB ALA 2 -0.108 -3.337 1.940 15 HB2 ALA 2 1HB ALA 2 1.209 -4.372 2.495 16 HB3 ALA 2 2HB ALA 2 0.862 -2.859 3.333 17 H GLN 3 H GLN 3 0.943 -6.519 3.916 18 HA GLN 3 HA GLN 3 1.907 -5.980 6.610 19 HB2 GLN 3 2HB GLN 3 1.096 -8.108 7.543 20 HB3 GLN 3 3HB GLN 3 -0.233 -7.059 7.065 21 HG2 GLN 3 2HG GLN 3 -0.601 -8.358 5.062 22 HG3 GLN 3 3HG GLN 3 0.816 -9.349 5.407 23 HE21 GLN 3 1HE2 GLN 3 -0.394 -11.247 5.419 24 HE22 GLN 3 2HE2 GLN 3 -1.474 -11.636 6.711 25 H ILE 4 H ILE 4 3.764 -7.126 7.168 26 HA ILE 4 HA ILE 4 4.835 -9.018 5.164 27 HB ILE 4 HB ILE 4 6.388 -7.336 7.154 28 HG12 ILE 4 2HG1 ILE 4 5.465 -5.987 5.313 29 HG13 ILE 4 3HG1 ILE 4 7.216 -6.114 5.180 30 HG21 ILE 4 1HG2 ILE 4 7.511 -9.442 6.768 31 HG22 ILE 4 2HG2 ILE 4 8.388 -8.158 5.936 32 HG23 ILE 4 3HG2 ILE 4 7.346 -9.250 5.023 33 HD11 ILE 4 3HD1 ILE 4 6.152 -6.324 3.015 34 HD12 ILE 4 1HD1 ILE 4 5.199 -7.690 3.591 35 HD13 ILE 4 2HD1 ILE 4 6.953 -7.831 3.458 36 H ILE 5 H ILE 5 3.903 -10.878 6.013 37 HA ILE 5 HA ILE 5 4.884 -11.725 8.657 38 HB ILE 5 HB ILE 5 2.045 -12.074 7.661 39 HG12 ILE 5 2HG1 ILE 5 3.140 -10.527 10.033 40 HG13 ILE 5 3HG1 ILE 5 2.532 -9.815 8.542 41 HG21 ILE 5 1HG2 ILE 5 1.621 -13.181 9.826 42 HG22 ILE 5 2HG2 ILE 5 3.346 -13.099 10.190 43 HG23 ILE 5 3HG2 ILE 5 2.777 -14.073 8.833 44 HD11 ILE 5 3HD1 ILE 5 0.899 -9.668 10.329 45 HD12 ILE 5 1HD1 ILE 5 0.916 -11.422 10.509 46 HD13 ILE 5 2HD1 ILE 5 0.313 -10.693 9.021 47 H PHE 6 H PHE 6 6.335 -13.215 8.014 48 HA PHE 6 HA PHE 6 5.291 -15.757 7.150 49 HB2 PHE 6 2HB PHE 6 5.770 -14.522 4.987 50 HB3 PHE 6 3HB PHE 6 7.467 -14.516 5.455 51 HD1 PHE 6 HD1 PHE 6 4.606 -16.751 4.689 52 HD2 PHE 6 HD2 PHE 6 8.840 -16.392 5.033 53 HE1 PHE 6 HE1 PHE 6 4.877 -18.977 3.677 54 HE2 PHE 6 HE2 PHE 6 9.111 -18.616 4.020 55 HZ PHE 6 HZ PHE 6 7.130 -19.912 3.341 56 H ASN 7 H ASN 7 6.083 -16.736 8.961 57 HA ASN 7 HA ASN 7 9.012 -16.708 9.329 58 HB2 ASN 7 2HB ASN 7 6.950 -16.556 11.539 59 HB3 ASN 7 3HB ASN 7 8.694 -16.640 11.763 60 HD21 ASN 7 1HD2 ASN 7 6.021 -14.651 10.789 61 HD22 ASN 7 2HD2 ASN 7 6.883 -13.152 10.786 62 H GLU 8 H GLU 8 9.658 -18.740 8.886 63 HA GLU 8 HA GLU 8 8.003 -21.031 9.327 64 HB2 GLU 8 2HB GLU 8 10.963 -20.906 8.688 65 HB3 GLU 8 3HB GLU 8 9.961 -22.348 8.620 66 HG2 GLU 8 2HG GLU 8 9.867 -21.828 6.425 67 HG3 GLU 8 3HG GLU 8 8.556 -20.777 6.953 68 H GLU 9 H GLU 9 7.523 -20.741 11.564 69 HA GLU 9 HA GLU 9 9.417 -20.723 13.633 70 HB2 GLU 9 2HB GLU 9 6.564 -21.736 13.644 71 HB3 GLU 9 3HB GLU 9 7.543 -21.514 15.086 72 HG2 GLU 9 2HG GLU 9 7.739 -19.110 14.552 73 HG3 GLU 9 3HG GLU 9 6.677 -19.355 13.168 74 H TRP 10 H TRP 10 10.972 -22.231 13.829 75 HA TRP 10 HA TRP 10 10.420 -25.059 13.482 76 HB2 TRP 10 2HB TRP 10 12.907 -23.592 14.402 77 HB3 TRP 10 3HB TRP 10 12.807 -25.338 14.207 78 HD1 TRP 10 HD1 TRP 10 13.152 -22.123 12.215 79 HE1 TRP 10 HE1 TRP 10 13.668 -22.712 9.764 80 HE3 TRP 10 HE3 TRP 10 12.380 -27.170 12.416 81 HZ2 TRP 10 HZ2 TRP 10 13.746 -25.015 8.133 82 HZ3 TRP 10 HZ3 TRP 10 12.700 -28.497 10.369 83 HH2 TRP 10 HH2 TRP 10 13.369 -27.439 8.272 84 H MET 11 H MET 11 10.085 -26.533 15.092 85 HA MET 11 HA MET 11 10.593 -25.865 17.872 86 HB2 MET 11 2HB MET 11 8.244 -26.286 18.572 87 HB3 MET 11 3HB MET 11 8.422 -24.844 17.582 88 HG2 MET 11 2HG MET 11 7.658 -26.163 15.615 89 HG3 MET 11 3HG MET 11 7.355 -27.521 16.697 90 HE1 MET 11 3HE MET 11 6.762 -23.671 17.442 91 HE2 MET 11 1HE MET 11 5.103 -23.497 16.870 92 HE3 MET 11 2HE MET 11 6.395 -23.868 15.727 93 H VAL 12 H VAL 12 10.417 -27.672 19.311 94 HA VAL 12 HA VAL 12 11.091 -30.175 18.115 95 HB VAL 12 HB VAL 12 11.156 -31.065 20.404 96 HG11 VAL 12 1HG1 VAL 12 12.436 -28.336 20.161 97 HG12 VAL 12 2HG1 VAL 12 13.098 -29.852 19.548 98 HG13 VAL 12 3HG1 VAL 12 12.920 -29.606 21.286 99 HG21 VAL 12 3HG2 VAL 12 9.237 -29.945 21.374 100 HG22 VAL 12 1HG2 VAL 12 10.026 -28.375 21.204 101 HG23 VAL 12 2HG2 VAL 12 10.675 -29.570 22.325 102 H GLU 13 H GLU 13 9.968 -32.245 18.829 103 HA GLU 13 HA GLU 13 7.438 -32.345 17.645 104 HB2 GLU 13 2HB GLU 13 9.017 -34.235 17.808 105 HB3 GLU 13 3HB GLU 13 8.702 -34.341 19.532 106 HG2 GLU 13 2HG GLU 13 6.412 -34.988 19.126 107 HG3 GLU 13 3HG GLU 13 6.616 -34.738 17.391 108 H LYS 14 H LYS 14 8.318 -32.386 21.087 109 HA LYS 14 HA LYS 14 5.711 -32.715 22.114 110 HB2 LYS 14 2HB LYS 14 7.816 -33.093 23.383 111 HB3 LYS 14 3HB LYS 14 8.076 -31.357 23.432 112 HG2 LYS 14 2HG LYS 14 5.501 -32.406 24.497 113 HG3 LYS 14 3HG LYS 14 6.963 -32.682 25.443 114 HD2 LYS 14 2HD LYS 14 6.047 -29.973 24.465 115 HD3 LYS 14 3HD LYS 14 5.718 -30.613 26.077 116 HE2 LYS 14 2HE LYS 14 8.173 -30.819 26.435 117 HE3 LYS 14 3HE LYS 14 8.431 -30.037 24.876 118 HZ1 LYS 14 3HZ LYS 14 7.463 -28.045 25.671 119 HZ2 LYS 14 1HZ LYS 14 8.555 -28.553 26.860 120 HZ3 LYS 14 2HZ LYS 14 6.899 -28.787 27.081 121 H ALA 15 H ALA 15 7.462 -29.826 21.112 122 HA ALA 15 HA ALA 15 5.487 -27.997 22.148 123 HB1 ALA 15 3HB ALA 15 7.838 -27.331 21.880 124 HB2 ALA 15 1HB ALA 15 6.750 -26.271 20.986 125 HB3 ALA 15 2HB ALA 15 7.684 -27.500 20.133 126 H LEU 16 H LEU 16 6.163 -29.547 19.070 127 HA LEU 16 HA LEU 16 4.419 -28.051 17.442 128 HB2 LEU 16 2HB LEU 16 6.260 -29.584 16.682 129 HB3 LEU 16 3HB LEU 16 5.240 -30.943 17.096 130 HG LEU 16 HG LEU 16 5.372 -30.290 14.637 131 HD11 LEU 16 1HD1 LEU 16 3.010 -30.756 14.207 132 HD12 LEU 16 2HD1 LEU 16 2.640 -30.459 15.906 133 HD13 LEU 16 3HD1 LEU 16 3.670 -31.817 15.450 134 HD21 LEU 16 3HD2 LEU 16 3.905 -28.476 13.891 135 HD22 LEU 16 1HD2 LEU 16 5.221 -27.878 14.901 136 HD23 LEU 16 2HD2 LEU 16 3.595 -28.034 15.572 137 H MET 17 H MET 17 3.903 -31.128 19.197 138 HA MET 17 HA MET 17 1.252 -31.550 18.380 139 HB2 MET 17 2HB MET 17 1.026 -33.015 20.339 140 HB3 MET 17 3HB MET 17 2.534 -33.298 19.487 141 HG2 MET 17 2HG MET 17 3.741 -32.016 21.166 142 HG3 MET 17 3HG MET 17 2.230 -31.685 22.013 143 HE1 MET 17 3HE MET 17 3.335 -35.050 20.263 144 HE2 MET 17 1HE MET 17 4.082 -35.901 21.615 145 HE3 MET 17 2HE MET 17 4.834 -34.442 20.969 146 H VAL 18 H VAL 18 2.535 -29.524 20.976 147 HA VAL 18 HA VAL 18 0.026 -28.914 22.179 148 HB VAL 18 HB VAL 18 2.588 -27.298 22.202 149 HG11 VAL 18 1HG1 VAL 18 1.682 -26.280 24.265 150 HG12 VAL 18 2HG1 VAL 18 0.160 -27.131 23.998 151 HG13 VAL 18 3HG1 VAL 18 0.704 -25.909 22.846 152 HG21 VAL 18 3HG2 VAL 18 2.912 -29.553 23.084 153 HG22 VAL 18 1HG2 VAL 18 1.550 -29.332 24.185 154 HG23 VAL 18 2HG2 VAL 18 3.007 -28.356 24.374 155 H ARG 19 H ARG 19 1.945 -27.337 19.644 156 HA ARG 19 HA ARG 19 0.281 -25.072 19.268 157 HB2 ARG 19 2HB ARG 19 2.233 -26.495 17.456 158 HB3 ARG 19 3HB ARG 19 1.383 -25.039 16.960 159 HG2 ARG 19 2HG ARG 19 3.063 -25.117 19.449 160 HG3 ARG 19 3HG ARG 19 3.756 -24.797 17.859 161 HD2 ARG 19 2HD ARG 19 2.082 -22.926 17.623 162 HD3 ARG 19 3HD ARG 19 1.668 -23.180 19.321 163 HE ARG 19 HE ARG 19 4.015 -22.647 19.834 164 HH11 ARG 19 1HH1 ARG 19 2.671 -21.503 16.862 165 HH12 ARG 19 2HH1 ARG 19 3.916 -20.321 16.639 166 HH21 ARG 19 1HH2 ARG 19 5.569 -21.129 19.541 167 HH22 ARG 19 2HH2 ARG 19 5.537 -20.118 18.136 168 H THR 20 H THR 20 0.300 -28.268 17.729 169 HA THR 20 HA THR 20 -1.809 -27.470 15.864 170 HB THR 20 HB THR 20 -1.373 -29.642 14.770 171 HG1 THR 20 HG1 THR 20 0.909 -30.151 16.261 172 HG21 THR 20 3HG2 THR 20 0.919 -29.163 14.006 173 HG22 THR 20 1HG2 THR 20 1.134 -28.040 15.351 174 HG23 THR 20 2HG2 THR 20 -0.051 -27.691 14.089 175 H GLY 21 H GLY 21 -1.445 -29.409 18.732 176 HA2 GLY 21 2HA GLY 21 -3.248 -30.159 20.061 177 HA3 GLY 21 3HA GLY 21 -4.303 -30.056 18.660 178 H LEU 22 H LEU 22 -1.529 -31.580 17.677 179 HA LEU 22 HA LEU 22 -2.823 -34.131 17.470 180 HB2 LEU 22 2HB LEU 22 -0.151 -33.036 16.648 181 HB3 LEU 22 3HB LEU 22 -0.434 -34.765 16.596 182 HG LEU 22 HG LEU 22 -2.233 -34.477 14.989 183 HD11 LEU 22 1HD1 LEU 22 -1.696 -31.514 15.171 184 HD12 LEU 22 2HD1 LEU 22 -3.141 -32.347 15.748 185 HD13 LEU 22 3HD1 LEU 22 -2.776 -32.302 14.022 186 HD21 LEU 22 3HD2 LEU 22 0.050 -34.675 14.141 187 HD22 LEU 22 1HD2 LEU 22 0.229 -32.920 14.187 188 HD23 LEU 22 2HD2 LEU 22 -0.935 -33.661 13.090 189 H GLY 23 H GLY 23 -1.476 -36.169 17.990 190 HA2 GLY 23 2HA GLY 23 -0.209 -35.921 20.657 191 HA3 GLY 23 3HA GLY 23 -1.324 -37.222 20.264 192 H ALA 24 H ALA 24 1.075 -37.989 21.203 193 HA ALA 24 HA ALA 24 3.265 -38.129 19.494 194 HB1 ALA 24 3HB ALA 24 2.435 -40.188 21.542 195 HB2 ALA 24 1HB ALA 24 3.337 -38.711 21.879 196 HB3 ALA 24 2HB ALA 24 4.053 -39.972 20.877 197 H ARG 25 H ARG 25 0.662 -40.548 19.885 198 HA ARG 25 HA ARG 25 1.703 -42.379 17.994 199 HB2 ARG 25 2HB ARG 25 -1.105 -42.024 19.059 200 HB3 ARG 25 3HB ARG 25 -0.615 -43.359 18.023 201 HG2 ARG 25 2HG ARG 25 1.078 -43.987 19.750 202 HG3 ARG 25 3HG ARG 25 0.391 -42.739 20.796 203 HD2 ARG 25 2HD ARG 25 -0.494 -45.022 21.256 204 HD3 ARG 25 3HD ARG 25 -1.741 -43.851 20.821 205 HE ARG 25 HE ARG 25 -0.821 -45.266 18.536 206 HH11 ARG 25 1HH1 ARG 25 -2.779 -45.716 21.348 207 HH12 ARG 25 2HH1 ARG 25 -3.860 -46.800 20.542 208 HH21 ARG 25 1HH2 ARG 25 -2.204 -46.657 17.535 209 HH22 ARG 25 2HH2 ARG 25 -3.536 -47.330 18.410 210 H GLN 26 H GLN 26 -0.362 -39.571 17.631 211 HA GLN 26 HA GLN 26 -1.119 -40.159 14.920 212 HB2 GLN 26 2HB GLN 26 -2.418 -38.688 16.517 213 HB3 GLN 26 3HB GLN 26 -1.175 -37.465 16.294 214 HG2 GLN 26 2HG GLN 26 -1.703 -37.339 13.915 215 HG3 GLN 26 3HG GLN 26 -2.910 -38.611 14.106 216 HE21 GLN 26 1HE2 GLN 26 -3.312 -35.930 13.132 217 HE22 GLN 26 2HE2 GLN 26 -4.444 -35.181 14.205 218 H ILE 27 H ILE 27 1.334 -38.098 16.463 219 HA ILE 27 HA ILE 27 2.305 -36.895 14.103 220 HB ILE 27 HB ILE 27 3.727 -37.370 16.732 221 HG12 ILE 27 2HG1 ILE 27 2.310 -34.935 15.604 222 HG13 ILE 27 3HG1 ILE 27 1.733 -35.951 16.921 223 HG21 ILE 27 1HG2 ILE 27 4.528 -35.587 14.423 224 HG22 ILE 27 2HG2 ILE 27 5.363 -37.047 14.951 225 HG23 ILE 27 3HG2 ILE 27 5.312 -35.633 16.002 226 HD11 ILE 27 3HD1 ILE 27 4.223 -34.257 16.972 227 HD12 ILE 27 1HD1 ILE 27 3.619 -35.258 18.294 228 HD13 ILE 27 2HD1 ILE 27 2.683 -33.869 17.740 229 H GLU 28 H GLU 28 3.537 -39.758 15.901 230 HA GLU 28 HA GLU 28 5.708 -40.340 14.268 231 HB2 GLU 28 2HB GLU 28 5.529 -42.670 15.029 232 HB3 GLU 28 3HB GLU 28 5.334 -41.534 16.356 233 HG2 GLU 28 2HG GLU 28 2.950 -41.880 16.374 234 HG3 GLU 28 3HG GLU 28 3.049 -42.891 14.932 235 H SER 29 H SER 29 2.305 -41.104 13.743 236 HA SER 29 HA SER 29 2.590 -42.690 11.423 237 HB2 SER 29 2HB SER 29 0.447 -42.564 12.574 238 HB3 SER 29 3HB SER 29 0.332 -40.833 12.246 239 HG SER 29 HG SER 29 0.096 -43.012 10.464 240 H TYR 30 H TYR 30 2.014 -39.191 11.778 241 HA TYR 30 HA TYR 30 2.125 -38.513 9.060 242 HB2 TYR 30 2HB TYR 30 2.790 -36.902 11.531 243 HB3 TYR 30 3HB TYR 30 2.755 -36.208 9.915 244 HD1 TYR 30 HD2 TYR 30 0.326 -38.776 10.999 245 HD2 TYR 30 HD1 TYR 30 1.027 -34.610 10.435 246 HE1 TYR 30 HE2 TYR 30 -2.077 -38.344 11.250 247 HE2 TYR 30 HE1 TYR 30 -1.379 -34.172 10.690 248 HH TYR 30 HH TYR 30 -3.525 -35.434 10.414 249 H ARG 31 H ARG 31 4.711 -38.946 11.420 250 HA ARG 31 HA ARG 31 6.829 -37.810 9.954 251 HB2 ARG 31 2HB ARG 31 6.928 -40.075 11.963 252 HB3 ARG 31 3HB ARG 31 8.309 -39.125 11.425 253 HG2 ARG 31 2HG ARG 31 7.327 -37.116 12.409 254 HG3 ARG 31 3HG ARG 31 5.916 -38.046 12.911 255 HD2 ARG 31 2HD ARG 31 7.304 -37.824 14.822 256 HD3 ARG 31 3HD ARG 31 7.472 -39.490 14.272 257 HE ARG 31 HE ARG 31 9.463 -37.410 13.627 258 HH11 ARG 31 1HH1 ARG 31 8.675 -40.535 14.832 259 HH12 ARG 31 2HH1 ARG 31 10.324 -41.010 15.012 260 HH21 ARG 31 1HH2 ARG 31 11.581 -38.022 13.870 261 HH22 ARG 31 2HH2 ARG 31 11.957 -39.590 14.498 262 H GLN 32 H GLN 32 5.131 -40.774 9.528 263 HA GLN 32 HA GLN 32 7.166 -41.749 7.625 264 HB2 GLN 32 2HB GLN 32 4.911 -43.216 9.016 265 HB3 GLN 32 3HB GLN 32 5.982 -43.938 7.823 266 HG2 GLN 32 2HG GLN 32 7.892 -43.622 9.267 267 HG3 GLN 32 3HG GLN 32 6.904 -42.743 10.433 268 HE21 GLN 32 1HE2 GLN 32 8.498 -45.216 10.734 269 HE22 GLN 32 2HE2 GLN 32 7.388 -46.394 11.334 270 H GLY 33 H GLY 33 4.217 -40.123 7.690 271 HA2 GLY 33 2HA GLY 33 3.714 -40.792 4.869 272 HA3 GLY 33 3HA GLY 33 2.418 -41.056 6.016 273 H ALA 34 H ALA 34 4.713 -38.371 5.918 274 HA ALA 34 HA ALA 34 3.097 -36.489 4.596 275 HB1 ALA 34 3HB ALA 34 2.275 -35.129 6.457 276 HB2 ALA 34 1HB ALA 34 2.910 -36.308 7.609 277 HB3 ALA 34 2HB ALA 34 1.599 -36.756 6.520 278 H TRP 35 H TRP 35 5.529 -37.090 7.046 279 HA TRP 35 HA TRP 35 6.767 -34.519 6.910 280 HB2 TRP 35 2HB TRP 35 7.476 -37.148 8.138 281 HB3 TRP 35 3HB TRP 35 8.735 -35.938 7.969 282 HD1 TRP 35 HD1 TRP 35 8.951 -35.754 10.597 283 HE1 TRP 35 HE1 TRP 35 7.553 -34.552 12.382 284 HE3 TRP 35 HE3 TRP 35 4.692 -34.859 7.882 285 HZ2 TRP 35 HZ2 TRP 35 5.020 -33.381 12.629 286 HZ3 TRP 35 HZ3 TRP 35 2.833 -33.689 8.982 287 HH2 TRP 35 HH2 TRP 35 2.995 -32.964 11.309 288 H ILE 36 H ILE 36 8.560 -33.835 5.845 289 HA ILE 36 HA ILE 36 9.895 -35.586 3.908 290 HB ILE 36 HB ILE 36 8.817 -32.836 3.209 291 HG12 ILE 36 2HG1 ILE 36 7.963 -35.559 2.180 292 HG13 ILE 36 3HG1 ILE 36 7.045 -34.574 3.313 293 HG21 ILE 36 1HG2 ILE 36 10.959 -33.324 2.117 294 HG22 ILE 36 2HG2 ILE 36 9.642 -33.305 0.944 295 HG23 ILE 36 3HG2 ILE 36 10.306 -34.842 1.500 296 HD11 ILE 36 3HD1 ILE 36 7.708 -33.862 0.468 297 HD12 ILE 36 1HD1 ILE 36 6.824 -32.838 1.600 298 HD13 ILE 36 2HD1 ILE 36 6.140 -34.383 1.086 299 H GLU 37 H GLU 37 12.064 -35.208 3.759 300 HA GLU 37 HA GLU 37 13.410 -33.790 5.745 301 HB2 GLU 37 2HB GLU 37 15.452 -34.149 4.359 302 HB3 GLU 37 3HB GLU 37 14.498 -35.604 4.609 303 HG2 GLU 37 2HG GLU 37 13.552 -35.387 2.369 304 HG3 GLU 37 3HG GLU 37 14.470 -33.902 2.120 305 H GLY 38 H GLY 38 14.046 -31.724 6.003 306 HA2 GLY 38 2HA GLY 38 14.701 -29.564 5.490 307 HA3 GLY 38 3HA GLY 38 14.650 -29.982 3.788 308 H VAL 39 H VAL 39 11.775 -30.875 4.109 309 HA VAL 39 HA VAL 39 10.633 -28.216 3.698 310 HB VAL 39 HB VAL 39 9.370 -30.903 3.120 311 HG11 VAL 39 1HG1 VAL 39 7.749 -29.095 3.307 312 HG12 VAL 39 2HG1 VAL 39 7.900 -29.617 1.629 313 HG13 VAL 39 3HG1 VAL 39 8.674 -28.124 2.161 314 HG21 VAL 39 3HG2 VAL 39 10.027 -30.509 0.772 315 HG22 VAL 39 1HG2 VAL 39 11.422 -30.686 1.837 316 HG23 VAL 39 2HG2 VAL 39 10.935 -29.086 1.281 317 H HIS 40 H HIS 40 10.067 -31.107 5.702 318 HA HIS 40 HA HIS 40 8.202 -29.496 7.336 319 HB2 HIS 40 2HB HIS 40 8.030 -32.425 6.642 320 HB3 HIS 40 3HB HIS 40 7.125 -31.713 7.967 321 HD1 HIS 40 HD1 HIS 40 7.541 -31.088 4.223 322 HD2 HIS 40 HD2 HIS 40 4.671 -30.839 7.217 323 HE1 HIS 40 HE1 HIS 40 5.423 -30.412 3.067 324 HE2 HIS 40 HE2 HIS 40 3.688 -30.322 4.878 325 H PHE 41 H PHE 41 11.164 -31.139 7.352 326 HA PHE 41 HA PHE 41 11.531 -30.597 10.134 327 HB2 PHE 41 2HB PHE 41 11.838 -32.800 11.008 328 HB3 PHE 41 3HB PHE 41 10.272 -32.781 10.210 329 HD1 PHE 41 HD1 PHE 41 9.967 -33.950 8.049 330 HD2 PHE 41 HD2 PHE 41 13.606 -34.219 10.255 331 HE1 PHE 41 HE1 PHE 41 10.610 -35.939 6.750 332 HE2 PHE 41 HE2 PHE 41 14.251 -36.198 8.952 333 HZ PHE 41 HZ PHE 41 12.755 -37.063 7.199 334 H LYS 42 H LYS 42 13.716 -30.976 10.880 335 HA LYS 42 HA LYS 42 15.666 -32.027 8.993 336 HB2 LYS 42 2HB LYS 42 17.080 -30.083 8.920 337 HB3 LYS 42 3HB LYS 42 15.473 -29.602 8.390 338 HG2 LYS 42 2HG LYS 42 15.025 -28.512 10.457 339 HG3 LYS 42 3HG LYS 42 16.457 -29.210 11.212 340 HD2 LYS 42 2HD LYS 42 17.882 -27.926 9.665 341 HD3 LYS 42 3HD LYS 42 16.438 -27.205 8.950 342 HE2 LYS 42 2HE LYS 42 15.883 -26.116 11.023 343 HE3 LYS 42 3HE LYS 42 17.172 -26.973 11.869 344 HZ1 LYS 42 3HZ LYS 42 17.747 -24.671 11.308 345 HZ2 LYS 42 1HZ LYS 42 17.609 -25.040 9.663 346 HZ3 LYS 42 2HZ LYS 42 18.802 -25.788 10.602 347 H ARG 43 H ARG 43 17.636 -32.618 9.969 348 HA ARG 43 HA ARG 43 17.718 -32.896 12.810 349 HB2 ARG 43 2HB ARG 43 19.815 -33.975 12.527 350 HB3 ARG 43 3HB ARG 43 18.840 -34.452 11.149 351 HG2 ARG 43 2HG ARG 43 20.943 -32.285 11.086 352 HG3 ARG 43 3HG ARG 43 21.211 -33.955 10.592 353 HD2 ARG 43 2HD ARG 43 19.533 -33.713 8.827 354 HD3 ARG 43 3HD ARG 43 19.212 -32.058 9.349 355 HE ARG 43 HE ARG 43 21.785 -31.873 8.823 356 HH11 ARG 43 1HH1 ARG 43 19.312 -33.427 6.993 357 HH12 ARG 43 2HH1 ARG 43 20.100 -33.143 5.481 358 HH21 ARG 43 1HH2 ARG 43 22.769 -31.481 6.885 359 HH22 ARG 43 2HH2 ARG 43 22.041 -32.050 5.419 360 H VAL 44 H VAL 44 18.854 -31.739 14.334 361 HA VAL 44 HA VAL 44 20.065 -29.194 13.459 362 HB VAL 44 HB VAL 44 18.946 -29.943 16.178 363 HG11 VAL 44 1HG1 VAL 44 20.008 -27.290 15.185 364 HG12 VAL 44 2HG1 VAL 44 20.794 -28.344 16.360 365 HG13 VAL 44 3HG1 VAL 44 19.254 -27.581 16.753 366 HG21 VAL 44 3HG2 VAL 44 17.158 -28.351 15.645 367 HG22 VAL 44 1HG2 VAL 44 17.207 -29.670 14.474 368 HG23 VAL 44 2HG2 VAL 44 17.861 -28.087 14.047 369 H SER 45 H SER 45 22.057 -28.551 14.235 370 HA SER 45 HA SER 45 24.076 -30.412 14.410 371 HB2 SER 45 2HB SER 45 24.147 -27.625 15.599 372 HB3 SER 45 3HB SER 45 25.535 -28.578 15.072 373 HG SER 45 HG SER 45 25.191 -27.441 13.305 374 HA PRO 46 HA PRO 46 23.804 -32.213 18.524 375 HB2 PRO 46 2HB PRO 46 26.757 -32.472 18.088 376 HB3 PRO 46 3HB PRO 46 25.586 -33.685 18.621 377 HG2 PRO 46 2HG PRO 46 26.493 -33.722 16.128 378 HG3 PRO 46 3HG PRO 46 24.781 -34.047 16.468 379 HD2 PRO 46 2HD PRO 46 26.056 -31.572 15.361 380 HD3 PRO 46 3HD PRO 46 24.497 -32.320 14.952 381 H SER 47 H SER 47 26.327 -29.861 17.703 382 HA SER 47 HA SER 47 27.002 -27.951 18.722 383 HB2 SER 47 2HB SER 47 24.714 -28.457 20.637 384 HB3 SER 47 3HB SER 47 25.620 -26.951 20.504 385 HG SER 47 HG SER 47 23.820 -28.126 18.678 386 H GLY 48 H GLY 48 27.280 -30.913 20.238 387 HA2 GLY 48 2HA GLY 48 29.596 -30.463 21.594 388 HA3 GLY 48 3HA GLY 48 28.370 -29.992 22.755 389 H GLU 49 H GLU 49 27.817 -31.529 24.156 390 HA GLU 49 HA GLU 49 28.952 -34.110 24.034 391 HB2 GLU 49 2HB GLU 49 27.761 -34.563 26.111 392 HB3 GLU 49 3HB GLU 49 28.478 -32.957 26.146 393 HG2 GLU 49 2HG GLU 49 26.360 -31.918 25.780 394 HG3 GLU 49 3HG GLU 49 25.588 -33.471 25.465 395 H LYS 50 H LYS 50 26.087 -32.979 22.593 396 HA LYS 50 HA LYS 50 24.415 -35.229 22.759 397 HB2 LYS 50 2HB LYS 50 23.635 -33.069 21.908 398 HB3 LYS 50 3HB LYS 50 24.686 -33.222 20.507 399 HG2 LYS 50 2HG LYS 50 22.470 -33.772 19.816 400 HG3 LYS 50 3HG LYS 50 23.404 -35.268 19.855 401 HD2 LYS 50 2HD LYS 50 21.261 -35.722 20.821 402 HD3 LYS 50 3HD LYS 50 22.440 -35.717 22.132 403 HE2 LYS 50 2HE LYS 50 21.782 -33.422 22.710 404 HE3 LYS 50 3HE LYS 50 20.612 -33.423 21.394 405 HZ1 LYS 50 3HZ LYS 50 20.556 -35.043 23.870 406 HZ2 LYS 50 1HZ LYS 50 19.559 -35.370 22.545 407 HZ3 LYS 50 2HZ LYS 50 19.431 -33.893 23.355 408 H THR 51 H THR 51 24.356 -37.154 21.723 409 HA THR 51 HA THR 51 26.705 -38.080 20.371 410 HB THR 51 HB THR 51 25.641 -40.239 20.283 411 HG1 THR 51 HG1 THR 51 23.361 -40.360 20.982 412 HG21 THR 51 3HG2 THR 51 24.772 -38.854 22.829 413 HG22 THR 51 1HG2 THR 51 26.386 -39.493 22.517 414 HG23 THR 51 2HG2 THR 51 25.008 -40.588 22.612 415 H LEU 52 H LEU 52 25.919 -39.756 18.398 416 HA LEU 52 HA LEU 52 25.710 -38.055 16.161 417 HB2 LEU 52 2HB LEU 52 25.347 -41.050 16.350 418 HB3 LEU 52 3HB LEU 52 25.430 -40.165 14.841 419 HG LEU 52 HG LEU 52 27.568 -41.137 15.182 420 HD11 LEU 52 1HD1 LEU 52 27.636 -38.859 14.337 421 HD12 LEU 52 2HD1 LEU 52 29.051 -39.206 15.328 422 HD13 LEU 52 3HD1 LEU 52 27.735 -38.233 15.985 423 HD21 LEU 52 3HD2 LEU 52 27.381 -41.631 17.564 424 HD22 LEU 52 1HD2 LEU 52 27.591 -39.921 17.946 425 HD23 LEU 52 2HD2 LEU 52 28.907 -40.829 17.199 426 H ARG 53 H ARG 53 23.272 -39.290 18.182 427 HA ARG 53 HA ARG 53 21.094 -39.602 16.445 428 HB2 ARG 53 2HB ARG 53 20.979 -38.496 19.265 429 HB3 ARG 53 3HB ARG 53 19.683 -39.307 18.399 430 HG2 ARG 53 2HG ARG 53 22.280 -40.606 19.215 431 HG3 ARG 53 3HG ARG 53 20.769 -40.714 20.117 432 HD2 ARG 53 2HD ARG 53 19.703 -41.866 18.283 433 HD3 ARG 53 3HD ARG 53 21.125 -41.637 17.262 434 HE ARG 53 HE ARG 53 22.312 -43.058 18.965 435 HH11 ARG 53 1HH1 ARG 53 18.901 -43.373 18.479 436 HH12 ARG 53 2HH1 ARG 53 18.889 -45.027 18.986 437 HH21 ARG 53 1HH2 ARG 53 22.255 -45.156 19.643 438 HH22 ARG 53 2HH2 ARG 53 20.751 -46.015 19.655 439 H GLY 54 H GLY 54 22.269 -36.682 18.119 440 HA2 GLY 54 2HA GLY 54 21.927 -34.443 17.678 441 HA3 GLY 54 3HA GLY 54 21.197 -34.905 16.149 442 H THR 55 H THR 55 19.576 -33.320 16.387 443 HA THR 55 HA THR 55 17.292 -34.259 17.953 444 HB THR 55 HB THR 55 18.260 -31.386 18.174 445 HG1 THR 55 HG1 THR 55 18.653 -33.639 19.722 446 HG21 THR 55 3HG2 THR 55 16.396 -31.105 19.755 447 HG22 THR 55 1HG2 THR 55 15.873 -32.757 19.440 448 HG23 THR 55 2HG2 THR 55 15.807 -31.552 18.154 449 H THR 56 H THR 56 15.380 -34.001 16.852 450 HA THR 56 HA THR 56 15.575 -32.699 14.216 451 HB THR 56 HB THR 56 13.555 -34.744 15.174 452 HG1 THR 56 HG1 THR 56 15.153 -36.073 14.754 453 HG21 THR 56 3HG2 THR 56 12.944 -34.939 12.804 454 HG22 THR 56 1HG2 THR 56 14.075 -33.651 12.399 455 HG23 THR 56 2HG2 THR 56 12.658 -33.299 13.392 456 H TRP 57 H TRP 57 14.602 -30.812 13.920 457 HA TRP 57 HA TRP 57 12.275 -30.082 15.587 458 HB2 TRP 57 2HB TRP 57 14.301 -28.366 14.132 459 HB3 TRP 57 3HB TRP 57 12.806 -27.714 14.794 460 HD1 TRP 57 HD1 TRP 57 15.247 -30.211 16.501 461 HE1 TRP 57 HE1 TRP 57 16.027 -29.168 18.719 462 HE3 TRP 57 HE3 TRP 57 12.951 -25.661 16.116 463 HZ2 TRP 57 HZ2 TRP 57 15.719 -26.743 20.120 464 HZ3 TRP 57 HZ3 TRP 57 13.249 -24.032 17.940 465 HH2 TRP 57 HH2 TRP 57 14.604 -24.563 19.901 466 H TYR 58 H TYR 58 10.404 -29.201 14.603 467 HA TYR 58 HA TYR 58 10.065 -30.098 11.814 468 HB2 TYR 58 2HB TYR 58 7.988 -29.751 13.990 469 HB3 TYR 58 3HB TYR 58 7.670 -30.325 12.358 470 HD1 TYR 58 HD2 TYR 58 9.953 -32.178 11.958 471 HD2 TYR 58 HD1 TYR 58 7.457 -31.597 15.351 472 HE1 TYR 58 HE2 TYR 58 10.406 -34.484 12.673 473 HE2 TYR 58 HE1 TYR 58 7.907 -33.903 16.075 474 HH TYR 58 HH TYR 58 8.729 -35.941 15.400 475 H ASN 59 H ASN 59 8.773 -28.920 10.356 476 HA ASN 59 HA ASN 59 8.885 -26.036 10.633 477 HB2 ASN 59 2HB ASN 59 7.962 -27.819 8.375 478 HB3 ASN 59 3HB ASN 59 7.950 -26.061 8.295 479 HD21 ASN 59 1HD2 ASN 59 9.872 -24.968 8.049 480 HD22 ASN 59 2HD2 ASN 59 11.350 -25.765 7.666 481 H TYR 60 H TYR 60 7.339 -25.243 12.006 482 HA TYR 60 HA TYR 60 4.773 -26.161 12.432 483 HB2 TYR 60 2HB TYR 60 5.713 -24.505 13.893 484 HB3 TYR 60 3HB TYR 60 5.826 -23.332 12.587 485 HD1 TYR 60 HD1 TYR 60 3.320 -25.304 14.538 486 HD2 TYR 60 HD2 TYR 60 4.097 -21.789 12.257 487 HE1 TYR 60 HE1 TYR 60 1.094 -24.436 15.118 488 HE2 TYR 60 HE2 TYR 60 1.876 -20.915 12.839 489 HH TYR 60 HH TYR 60 -0.316 -21.775 13.549 490 HA PRO 61 HA PRO 61 3.074 -23.032 9.002 491 HB2 PRO 61 2HB PRO 61 4.827 -22.830 6.853 492 HB3 PRO 61 3HB PRO 61 4.593 -21.599 8.097 493 HG2 PRO 61 2HG PRO 61 6.710 -23.709 7.889 494 HG3 PRO 61 3HG PRO 61 6.864 -22.010 8.377 495 HD2 PRO 61 2HD PRO 61 6.854 -23.958 10.201 496 HD3 PRO 61 3HD PRO 61 6.017 -22.421 10.515 497 H GLU 62 H GLU 62 5.402 -25.402 7.627 498 HA GLU 62 HA GLU 62 3.647 -26.321 5.617 499 HB2 GLU 62 2HB GLU 62 6.192 -27.401 6.803 500 HB3 GLU 62 3HB GLU 62 5.295 -28.333 5.607 501 HG2 GLU 62 2HG GLU 62 6.376 -25.543 5.188 502 HG3 GLU 62 3HG GLU 62 7.132 -27.032 4.623 503 H ILE 63 H ILE 63 3.924 -27.229 8.977 504 HA ILE 63 HA ILE 63 2.428 -29.690 8.645 505 HB ILE 63 HB ILE 63 3.236 -28.181 11.142 506 HG12 ILE 63 2HG1 ILE 63 4.281 -30.740 9.890 507 HG13 ILE 63 3HG1 ILE 63 5.085 -29.176 9.846 508 HG21 ILE 63 1HG2 ILE 63 1.189 -29.451 11.578 509 HG22 ILE 63 2HG2 ILE 63 2.566 -30.177 12.406 510 HG23 ILE 63 3HG2 ILE 63 1.939 -30.910 10.927 511 HD11 ILE 63 3HD1 ILE 63 5.351 -29.228 12.257 512 HD12 ILE 63 1HD1 ILE 63 6.064 -30.654 11.507 513 HD13 ILE 63 2HD1 ILE 63 4.510 -30.777 12.329 514 H ASN 64 H ASN 64 1.720 -26.467 10.034 515 HA ASN 64 HA ASN 64 -1.011 -26.851 10.523 516 HB2 ASN 64 2HB ASN 64 0.230 -24.876 11.303 517 HB3 ASN 64 3HB ASN 64 0.415 -24.324 9.642 518 HD21 ASN 64 1HD2 ASN 64 -2.540 -25.775 10.861 519 HD22 ASN 64 2HD2 ASN 64 -3.480 -24.333 10.786 520 H LYS 65 H LYS 65 0.671 -25.788 7.613 521 HA LYS 65 HA LYS 65 -1.385 -25.540 5.786 522 HB2 LYS 65 2HB LYS 65 0.786 -24.973 5.086 523 HB3 LYS 65 3HB LYS 65 1.451 -26.518 5.591 524 HG2 LYS 65 2HG LYS 65 0.240 -27.606 3.716 525 HG3 LYS 65 3HG LYS 65 -0.297 -26.006 3.184 526 HD2 LYS 65 2HD LYS 65 1.965 -25.297 2.811 527 HD3 LYS 65 3HD LYS 65 2.600 -26.757 3.568 528 HE2 LYS 65 2HE LYS 65 1.623 -28.097 1.739 529 HE3 LYS 65 3HE LYS 65 1.069 -26.607 0.968 530 HZ1 LYS 65 3HZ LYS 65 3.908 -27.166 1.614 531 HZ2 LYS 65 1HZ LYS 65 3.298 -25.901 0.676 532 HZ3 LYS 65 2HZ LYS 65 3.211 -27.489 0.104 533 H PHE 66 H PHE 66 0.340 -28.531 6.704 534 HA PHE 66 HA PHE 66 -1.075 -30.294 5.046 535 HB2 PHE 66 2HB PHE 66 1.033 -30.866 6.226 536 HB3 PHE 66 3HB PHE 66 0.153 -30.894 7.751 537 HD1 PHE 66 HD2 PHE 66 0.430 -32.539 4.440 538 HD2 PHE 66 HD1 PHE 66 -1.028 -32.832 8.434 539 HE1 PHE 66 HE2 PHE 66 -0.128 -34.904 4.064 540 HE2 PHE 66 HE1 PHE 66 -1.585 -35.199 8.057 541 HZ PHE 66 HZ PHE 66 -1.136 -36.235 5.872 542 H ILE 67 H ILE 67 -1.792 -29.136 8.319 543 HA ILE 67 HA ILE 67 -4.048 -30.739 8.836 544 HB ILE 67 HB ILE 67 -3.489 -27.916 9.789 545 HG12 ILE 67 2HG1 ILE 67 -2.945 -30.588 11.121 546 HG13 ILE 67 3HG1 ILE 67 -1.727 -29.569 10.362 547 HG21 ILE 67 1HG2 ILE 67 -5.400 -29.982 10.896 548 HG22 ILE 67 2HG2 ILE 67 -5.854 -28.497 10.059 549 HG23 ILE 67 3HG2 ILE 67 -5.044 -28.415 11.624 550 HD11 ILE 67 3HD1 ILE 67 -1.697 -29.339 12.775 551 HD12 ILE 67 1HD1 ILE 67 -3.389 -28.841 12.765 552 HD13 ILE 67 2HD1 ILE 67 -2.165 -27.819 12.008 553 H ARG 68 H ARG 68 -3.742 -27.610 7.194 554 HA ARG 68 HA ARG 68 -6.441 -27.054 6.735 555 HB2 ARG 68 2HB ARG 68 -4.360 -25.618 6.249 556 HB3 ARG 68 3HB ARG 68 -4.241 -26.493 4.732 557 HG2 ARG 68 2HG ARG 68 -6.651 -24.888 5.581 558 HG3 ARG 68 3HG ARG 68 -5.348 -24.263 4.577 559 HD2 ARG 68 2HD ARG 68 -7.204 -26.545 3.901 560 HD3 ARG 68 3HD ARG 68 -7.226 -24.929 3.202 561 HE ARG 68 HE ARG 68 -4.997 -26.831 2.830 562 HH11 ARG 68 1HH1 ARG 68 -7.065 -24.324 1.671 563 HH12 ARG 68 2HH1 ARG 68 -6.398 -24.365 0.079 564 HH21 ARG 68 1HH2 ARG 68 -4.171 -26.903 0.770 565 HH22 ARG 68 2HH2 ARG 68 -4.786 -25.818 -0.431 566 H ASP 69 H ASP 69 -4.154 -28.622 4.479 567 HA ASP 69 HA ASP 69 -6.150 -29.488 2.672 568 HB2 ASP 69 2HB ASP 69 -3.306 -30.427 3.085 569 HB3 ASP 69 3HB ASP 69 -4.324 -30.917 1.731 570 H SER 70 H SER 70 -5.066 -30.830 5.671 571 HA SER 70 HA SER 70 -6.198 -33.450 5.221 572 HB2 SER 70 2HB SER 70 -4.389 -33.156 6.863 573 HB3 SER 70 3HB SER 70 -5.409 -32.074 7.809 574 HG SER 70 HG SER 70 -6.252 -33.760 8.715 575 H LEU 71 H LEU 71 -7.376 -30.360 6.201 576 HA LEU 71 HA LEU 71 -9.804 -31.374 7.432 577 HB2 LEU 71 2HB LEU 71 -8.627 -29.365 8.279 578 HB3 LEU 71 3HB LEU 71 -8.971 -28.545 6.770 579 HG LEU 71 HG LEU 71 -11.362 -28.598 7.240 580 HD11 LEU 71 1HD1 LEU 71 -10.597 -29.998 9.806 581 HD12 LEU 71 2HD1 LEU 71 -11.498 -30.696 8.459 582 HD13 LEU 71 3HD1 LEU 71 -12.204 -29.388 9.406 583 HD21 LEU 71 3HD2 LEU 71 -9.726 -27.548 9.554 584 HD22 LEU 71 1HD2 LEU 71 -11.381 -27.074 9.167 585 HD23 LEU 71 2HD2 LEU 71 -10.072 -26.699 8.047 586 H GLU 72 H GLU 72 -9.203 -29.103 4.707 587 HA GLU 72 HA GLU 72 -11.790 -29.536 3.563 588 HB2 GLU 72 2HB GLU 72 -9.296 -28.155 2.590 589 HB3 GLU 72 3HB GLU 72 -10.675 -28.375 1.525 590 HG2 GLU 72 2HG GLU 72 -10.653 -26.160 2.551 591 HG3 GLU 72 3HG GLU 72 -12.082 -27.084 3.014 592 H HIS 73 H HIS 73 -11.969 -31.803 3.318 593 HA HIS 73 HA HIS 73 -10.096 -33.469 2.070 594 HB2 HIS 73 2HB HIS 73 -11.900 -34.331 3.483 595 HB3 HIS 73 3HB HIS 73 -13.091 -33.852 2.278 596 HD1 HIS 73 HD1 HIS 73 -10.182 -36.257 2.676 597 HD2 HIS 73 HD2 HIS 73 -13.575 -35.733 0.341 598 HE1 HIS 73 HE1 HIS 73 -10.358 -38.328 1.279 599 HE2 HIS 73 HE2 HIS 73 -12.312 -37.912 -0.245 600 H HIS 74 H HIS 74 -9.327 -32.824 0.136 601 HA HIS 74 HA HIS 74 -11.025 -33.318 -2.183 602 HB2 HIS 74 2HB HIS 74 -9.465 -30.743 -1.823 603 HB3 HIS 74 3HB HIS 74 -10.157 -31.273 -3.352 604 HD1 HIS 74 HD1 HIS 74 -12.896 -31.662 -3.190 605 HD2 HIS 74 HD2 HIS 74 -11.121 -29.137 -0.404 606 HE1 HIS 74 HE1 HIS 74 -14.767 -30.288 -2.240 607 HE2 HIS 74 HE2 HIS 74 -13.658 -28.687 -0.652 608 H HIS 75 H HIS 75 -7.908 -33.098 -0.683 609 HA HIS 75 HA HIS 75 -6.475 -33.985 -3.070 610 HB2 HIS 75 2HB HIS 75 -5.433 -33.417 -0.281 611 HB3 HIS 75 3HB HIS 75 -4.453 -33.722 -1.710 612 HD1 HIS 75 HD1 HIS 75 -4.020 -31.760 -3.272 613 HD2 HIS 75 HD2 HIS 75 -6.678 -30.859 -0.214 614 HE1 HIS 75 HE1 HIS 75 -4.291 -29.267 -3.330 615 HE2 HIS 75 HE2 HIS 75 -5.698 -28.741 -1.317 616 H HIS 76 H HIS 76 -6.162 -36.099 -3.479 617 HA HIS 76 HA HIS 76 -6.846 -38.085 -1.482 618 HB2 HIS 76 2HB HIS 76 -6.121 -38.209 -4.400 619 HB3 HIS 76 3HB HIS 76 -6.171 -39.674 -3.425 620 HD1 HIS 76 HD1 HIS 76 -8.359 -40.809 -3.372 621 HD2 HIS 76 HD2 HIS 76 -8.763 -36.761 -4.222 622 HE1 HIS 76 HE1 HIS 76 -10.807 -40.443 -3.755 623 HE2 HIS 76 HE2 HIS 76 -11.046 -37.966 -4.063 624 H HIS 77 H HIS 77 -5.501 -39.651 -0.621 625 HA HIS 77 HA HIS 77 -2.839 -38.843 -0.029 626 HB2 HIS 77 2HB HIS 77 -4.104 -40.081 1.609 627 HB3 HIS 77 3HB HIS 77 -4.323 -41.429 0.498 628 HD1 HIS 77 HD1 HIS 77 -2.191 -42.907 0.008 629 HD2 HIS 77 HD2 HIS 77 -1.736 -40.119 3.059 630 HE1 HIS 77 HE1 HIS 77 -0.143 -43.618 1.269 631 HE2 HIS 77 HE2 HIS 77 0.131 -41.912 3.094 632 H HIS 78 H HIS 78 -1.231 -38.933 -1.494 633 HA HIS 78 HA HIS 78 -1.054 -41.082 -3.447 634 HB2 HIS 78 2HB HIS 78 -0.405 -38.873 -4.192 635 HB3 HIS 78 3HB HIS 78 0.748 -38.712 -2.870 636 HD1 HIS 78 HD1 HIS 78 0.221 -41.004 -5.869 637 HD2 HIS 78 HD2 HIS 78 3.277 -39.343 -3.599 638 HE1 HIS 78 HE1 HIS 78 2.349 -41.740 -6.974 639 HE2 HIS 78 HE2 HIS 78 4.169 -40.560 -5.700 Start of MODEL 19 1 H1 MET 1 1H MET 1 1.402 -5.425 -1.827 2 H2 MET 1 2H MET 1 1.838 -4.618 -0.407 3 H3 MET 1 3H MET 1 0.921 -3.824 -1.581 4 HA MET 1 HA MET 1 -0.450 -4.477 0.283 5 HB2 MET 1 2HB MET 1 -0.969 -5.995 -2.285 6 HB3 MET 1 3HB MET 1 -2.161 -5.783 -1.009 7 HG2 MET 1 2HG MET 1 -0.876 -3.596 -2.635 8 HG3 MET 1 3HG MET 1 -2.533 -4.186 -2.783 9 HE1 MET 1 3HE MET 1 -1.669 -1.085 -2.345 10 HE2 MET 1 1HE MET 1 -2.934 -0.589 -1.223 11 HE3 MET 1 2HE MET 1 -3.329 -1.630 -2.590 12 H ALA 2 H ALA 2 0.882 -7.365 -1.384 13 HA ALA 2 HA ALA 2 -0.137 -9.189 0.549 14 HB1 ALA 2 3HB ALA 2 1.139 -10.883 -0.621 15 HB2 ALA 2 1HB ALA 2 2.052 -9.640 -1.480 16 HB3 ALA 2 2HB ALA 2 0.324 -9.829 -1.777 17 H GLN 3 H GLN 3 0.597 -8.385 2.583 18 HA GLN 3 HA GLN 3 3.450 -8.601 3.155 19 HB2 GLN 3 2HB GLN 3 2.843 -7.860 5.433 20 HB3 GLN 3 3HB GLN 3 2.263 -6.755 4.197 21 HG2 GLN 3 2HG GLN 3 0.014 -7.676 4.402 22 HG3 GLN 3 3HG GLN 3 0.586 -8.824 5.612 23 HE21 GLN 3 1HE2 GLN 3 -1.464 -6.778 5.860 24 HE22 GLN 3 2HE2 GLN 3 -0.962 -5.748 7.151 25 H ILE 4 H ILE 4 4.387 -10.420 3.824 26 HA ILE 4 HA ILE 4 2.811 -12.800 4.156 27 HB ILE 4 HB ILE 4 5.795 -12.432 4.500 28 HG12 ILE 4 2HG1 ILE 4 5.060 -11.808 2.245 29 HG13 ILE 4 3HG1 ILE 4 5.959 -13.320 2.201 30 HG21 ILE 4 1HG2 ILE 4 5.030 -14.457 5.594 31 HG22 ILE 4 2HG2 ILE 4 5.904 -14.876 4.121 32 HG23 ILE 4 3HG2 ILE 4 4.142 -14.937 4.146 33 HD11 ILE 4 3HD1 ILE 4 4.014 -13.366 0.731 34 HD12 ILE 4 1HD1 ILE 4 2.955 -13.067 2.109 35 HD13 ILE 4 2HD1 ILE 4 3.879 -14.567 2.016 36 H ILE 5 H ILE 5 1.585 -12.402 6.057 37 HA ILE 5 HA ILE 5 3.008 -12.231 8.596 38 HB ILE 5 HB ILE 5 0.028 -12.625 8.194 39 HG12 ILE 5 2HG1 ILE 5 0.767 -10.556 7.068 40 HG13 ILE 5 3HG1 ILE 5 -0.193 -10.191 8.498 41 HG21 ILE 5 1HG2 ILE 5 0.834 -13.203 10.421 42 HG22 ILE 5 2HG2 ILE 5 -0.115 -11.715 10.485 43 HG23 ILE 5 3HG2 ILE 5 1.648 -11.644 10.554 44 HD11 ILE 5 3HD1 ILE 5 2.809 -10.068 8.307 45 HD12 ILE 5 1HD1 ILE 5 1.850 -9.698 9.740 46 HD13 ILE 5 2HD1 ILE 5 1.703 -8.694 8.299 47 H PHE 6 H PHE 6 4.109 -14.273 7.866 48 HA PHE 6 HA PHE 6 2.858 -16.603 9.091 49 HB2 PHE 6 2HB PHE 6 3.886 -16.667 6.232 50 HB3 PHE 6 3HB PHE 6 3.373 -18.069 7.160 51 HD1 PHE 6 HD2 PHE 6 0.972 -18.338 7.766 52 HD2 PHE 6 HD1 PHE 6 2.306 -15.274 5.118 53 HE1 PHE 6 HE2 PHE 6 -1.329 -18.041 6.949 54 HE2 PHE 6 HE1 PHE 6 0.005 -14.980 4.299 55 HZ PHE 6 HZ PHE 6 -1.817 -16.361 5.213 56 H ASN 7 H ASN 7 4.345 -17.792 10.186 57 HA ASN 7 HA ASN 7 7.211 -17.349 9.586 58 HB2 ASN 7 2HB ASN 7 6.054 -17.907 12.333 59 HB3 ASN 7 3HB ASN 7 7.718 -17.490 11.943 60 HD21 ASN 7 1HD2 ASN 7 4.524 -16.309 12.436 61 HD22 ASN 7 2HD2 ASN 7 4.917 -14.630 12.399 62 H GLU 8 H GLU 8 8.513 -19.189 10.861 63 HA GLU 8 HA GLU 8 7.165 -21.769 10.375 64 HB2 GLU 8 2HB GLU 8 10.130 -21.152 10.325 65 HB3 GLU 8 3HB GLU 8 9.433 -22.758 10.149 66 HG2 GLU 8 2HG GLU 8 8.250 -21.958 8.113 67 HG3 GLU 8 3HG GLU 8 9.107 -20.426 8.268 68 H GLU 9 H GLU 9 6.221 -21.881 12.427 69 HA GLU 9 HA GLU 9 7.691 -21.715 14.855 70 HB2 GLU 9 2HB GLU 9 5.007 -22.851 14.106 71 HB3 GLU 9 3HB GLU 9 5.651 -23.081 15.725 72 HG2 GLU 9 2HG GLU 9 4.101 -21.182 15.569 73 HG3 GLU 9 3HG GLU 9 5.713 -20.708 16.098 74 H TRP 10 H TRP 10 9.436 -23.023 15.104 75 HA TRP 10 HA TRP 10 9.179 -25.899 14.566 76 HB2 TRP 10 2HB TRP 10 11.619 -24.246 15.287 77 HB3 TRP 10 3HB TRP 10 11.633 -25.982 15.000 78 HD1 TRP 10 HD1 TRP 10 11.187 -22.653 13.126 79 HE1 TRP 10 HE1 TRP 10 11.649 -23.059 10.629 80 HE3 TRP 10 HE3 TRP 10 11.659 -27.744 13.203 81 HZ2 TRP 10 HZ2 TRP 10 12.134 -25.242 8.916 82 HZ3 TRP 10 HZ3 TRP 10 12.120 -28.917 11.089 83 HH2 TRP 10 HH2 TRP 10 12.353 -27.688 8.986 84 H MET 11 H MET 11 8.539 -27.180 16.193 85 HA MET 11 HA MET 11 9.593 -26.639 18.895 86 HB2 MET 11 2HB MET 11 7.471 -27.330 19.916 87 HB3 MET 11 3HB MET 11 7.263 -25.904 18.909 88 HG2 MET 11 2HG MET 11 6.674 -28.668 17.897 89 HG3 MET 11 3HG MET 11 5.479 -27.707 18.766 90 HE1 MET 11 3HE MET 11 6.020 -24.770 17.812 91 HE2 MET 11 1HE MET 11 4.413 -25.496 17.883 92 HE3 MET 11 2HE MET 11 4.941 -24.661 16.423 93 H VAL 12 H VAL 12 9.248 -28.612 20.366 94 HA VAL 12 HA VAL 12 10.429 -30.906 19.134 95 HB VAL 12 HB VAL 12 10.291 -31.966 21.345 96 HG11 VAL 12 1HG1 VAL 12 11.178 -29.079 21.483 97 HG12 VAL 12 2HG1 VAL 12 12.141 -30.438 20.900 98 HG13 VAL 12 3HG1 VAL 12 11.663 -30.361 22.596 99 HG21 VAL 12 3HG2 VAL 12 8.740 -29.508 22.190 100 HG22 VAL 12 1HG2 VAL 12 9.289 -30.804 23.253 101 HG23 VAL 12 2HG2 VAL 12 8.077 -31.133 22.015 102 H GLU 13 H GLU 13 9.512 -33.140 19.446 103 HA GLU 13 HA GLU 13 7.217 -33.379 17.874 104 HB2 GLU 13 2HB GLU 13 9.002 -35.070 18.058 105 HB3 GLU 13 3HB GLU 13 8.469 -35.450 19.690 106 HG2 GLU 13 2HG GLU 13 6.434 -36.381 18.905 107 HG3 GLU 13 3HG GLU 13 6.691 -35.745 17.278 108 H LYS 14 H LYS 14 7.575 -33.729 21.395 109 HA LYS 14 HA LYS 14 4.954 -34.533 22.007 110 HB2 LYS 14 2HB LYS 14 6.945 -34.526 23.563 111 HB3 LYS 14 3HB LYS 14 6.737 -32.792 23.729 112 HG2 LYS 14 2HG LYS 14 4.425 -34.581 24.350 113 HG3 LYS 14 3HG LYS 14 5.748 -34.456 25.507 114 HD2 LYS 14 2HD LYS 14 4.217 -32.093 24.408 115 HD3 LYS 14 3HD LYS 14 3.855 -32.884 25.943 116 HE2 LYS 14 2HE LYS 14 6.163 -32.362 26.697 117 HE3 LYS 14 3HE LYS 14 6.425 -31.481 25.193 118 HZ1 LYS 14 3HZ LYS 14 4.632 -29.980 25.804 119 HZ2 LYS 14 1HZ LYS 14 5.825 -30.001 27.004 120 HZ3 LYS 14 2HZ LYS 14 4.373 -30.832 27.241 121 H ALA 15 H ALA 15 6.311 -31.303 21.514 122 HA ALA 15 HA ALA 15 3.864 -29.945 22.226 123 HB1 ALA 15 3HB ALA 15 5.018 -27.916 21.509 124 HB2 ALA 15 1HB ALA 15 6.320 -28.885 20.818 125 HB3 ALA 15 2HB ALA 15 6.052 -28.883 22.562 126 H LEU 16 H LEU 16 5.398 -31.058 19.266 127 HA LEU 16 HA LEU 16 3.908 -29.656 17.356 128 HB2 LEU 16 2HB LEU 16 5.985 -31.070 17.003 129 HB3 LEU 16 3HB LEU 16 4.956 -32.484 17.071 130 HG LEU 16 HG LEU 16 5.630 -31.695 14.757 131 HD11 LEU 16 1HD1 LEU 16 3.484 -32.146 13.739 132 HD12 LEU 16 2HD1 LEU 16 2.662 -31.844 15.271 133 HD13 LEU 16 3HD1 LEU 16 3.750 -33.225 15.109 134 HD21 LEU 16 3HD2 LEU 16 3.657 -29.482 15.334 135 HD22 LEU 16 1HD2 LEU 16 4.422 -29.820 13.779 136 HD23 LEU 16 2HD2 LEU 16 5.401 -29.291 15.148 137 H MET 17 H MET 17 3.314 -32.897 18.750 138 HA MET 17 HA MET 17 0.935 -33.444 17.380 139 HB2 MET 17 2HB MET 17 0.496 -35.119 19.102 140 HB3 MET 17 3HB MET 17 2.187 -35.144 18.624 141 HG2 MET 17 2HG MET 17 2.735 -33.817 20.638 142 HG3 MET 17 3HG MET 17 1.046 -33.925 21.129 143 HE1 MET 17 3HE MET 17 3.904 -37.542 20.817 144 HE2 MET 17 1HE MET 17 4.405 -35.872 20.558 145 HE3 MET 17 2HE MET 17 3.323 -36.656 19.407 146 H VAL 18 H VAL 18 1.453 -31.609 20.352 147 HA VAL 18 HA VAL 18 -1.289 -31.420 21.101 148 HB VAL 18 HB VAL 18 1.018 -29.609 21.865 149 HG11 VAL 18 1HG1 VAL 18 -0.380 -29.039 23.828 150 HG12 VAL 18 2HG1 VAL 18 -1.707 -29.963 23.126 151 HG13 VAL 18 3HG1 VAL 18 -1.107 -28.523 22.305 152 HG21 VAL 18 3HG2 VAL 18 -0.118 -32.032 23.280 153 HG22 VAL 18 1HG2 VAL 18 1.144 -30.971 23.907 154 HG23 VAL 18 2HG2 VAL 18 1.445 -31.944 22.467 155 H ARG 19 H ARG 19 0.893 -29.156 19.401 156 HA ARG 19 HA ARG 19 -1.042 -27.083 19.124 157 HB2 ARG 19 2HB ARG 19 1.514 -27.587 17.582 158 HB3 ARG 19 3HB ARG 19 0.577 -26.101 17.505 159 HG2 ARG 19 2HG ARG 19 1.927 -27.208 19.966 160 HG3 ARG 19 3HG ARG 19 2.519 -25.879 18.967 161 HD2 ARG 19 2HD ARG 19 0.553 -24.557 19.526 162 HD3 ARG 19 3HD ARG 19 -0.107 -25.899 20.459 163 HE ARG 19 HE ARG 19 2.417 -24.570 21.197 164 HH11 ARG 19 1HH1 ARG 19 -0.744 -25.679 22.018 165 HH12 ARG 19 2HH1 ARG 19 -0.514 -25.401 23.707 166 HH21 ARG 19 1HH2 ARG 19 2.684 -24.195 23.355 167 HH22 ARG 19 2HH2 ARG 19 1.400 -24.562 24.457 168 H THR 20 H THR 20 -0.288 -29.889 17.183 169 HA THR 20 HA THR 20 -1.813 -28.892 14.890 170 HB THR 20 HB THR 20 -1.082 -30.939 13.742 171 HG1 THR 20 HG1 THR 20 0.697 -31.716 15.701 172 HG21 THR 20 3HG2 THR 20 1.343 -30.482 13.729 173 HG22 THR 20 1HG2 THR 20 1.157 -29.492 15.177 174 HG23 THR 20 2HG2 THR 20 0.395 -28.996 13.664 175 H GLY 21 H GLY 21 -2.163 -31.161 17.519 176 HA2 GLY 21 2HA GLY 21 -4.271 -32.025 18.214 177 HA3 GLY 21 3HA GLY 21 -4.868 -31.839 16.573 178 H LEU 22 H LEU 22 -1.848 -33.131 16.330 179 HA LEU 22 HA LEU 22 -2.844 -35.788 15.752 180 HB2 LEU 22 2HB LEU 22 -0.214 -34.376 15.423 181 HB3 LEU 22 3HB LEU 22 -0.274 -36.123 15.299 182 HG LEU 22 HG LEU 22 -1.752 -36.004 13.388 183 HD11 LEU 22 1HD1 LEU 22 -2.426 -33.866 12.393 184 HD12 LEU 22 2HD1 LEU 22 -1.736 -33.012 13.775 185 HD13 LEU 22 3HD1 LEU 22 -3.111 -34.094 14.001 186 HD21 LEU 22 3HD2 LEU 22 0.557 -34.072 13.113 187 HD22 LEU 22 1HD2 LEU 22 -0.289 -34.860 11.779 188 HD23 LEU 22 2HD2 LEU 22 0.631 -35.826 12.931 189 H GLY 23 H GLY 23 -1.136 -37.607 16.430 190 HA2 GLY 23 2HA GLY 23 -0.432 -37.317 19.286 191 HA3 GLY 23 3HA GLY 23 -1.293 -38.739 18.707 192 H ALA 24 H ALA 24 1.020 -39.221 19.984 193 HA ALA 24 HA ALA 24 3.425 -39.073 18.592 194 HB1 ALA 24 3HB ALA 24 3.235 -39.701 20.956 195 HB2 ALA 24 1HB ALA 24 4.216 -40.854 20.050 196 HB3 ALA 24 2HB ALA 24 2.554 -41.258 20.483 197 H ARG 25 H ARG 25 1.111 -41.801 18.620 198 HA ARG 25 HA ARG 25 2.580 -43.401 16.802 199 HB2 ARG 25 2HB ARG 25 0.887 -44.283 18.375 200 HB3 ARG 25 3HB ARG 25 -0.376 -43.506 17.431 201 HG2 ARG 25 2HG ARG 25 -0.047 -44.956 15.601 202 HG3 ARG 25 3HG ARG 25 1.496 -45.533 16.233 203 HD2 ARG 25 2HD ARG 25 -1.214 -46.022 17.482 204 HD3 ARG 25 3HD ARG 25 -0.295 -47.192 16.532 205 HE ARG 25 HE ARG 25 1.140 -46.151 18.800 206 HH11 ARG 25 1HH1 ARG 25 -1.057 -48.591 17.739 207 HH12 ARG 25 2HH1 ARG 25 -0.627 -49.668 19.022 208 HH21 ARG 25 1HH2 ARG 25 1.650 -47.544 20.441 209 HH22 ARG 25 2HH2 ARG 25 0.866 -49.084 20.530 210 H GLN 26 H GLN 26 0.159 -40.919 16.340 211 HA GLN 26 HA GLN 26 -0.336 -41.320 13.580 212 HB2 GLN 26 2HB GLN 26 -1.800 -39.935 14.954 213 HB3 GLN 26 3HB GLN 26 -0.485 -38.817 15.278 214 HG2 GLN 26 2HG GLN 26 -1.871 -37.804 13.654 215 HG3 GLN 26 3HG GLN 26 -0.405 -38.324 12.829 216 HE21 GLN 26 1HE2 GLN 26 -3.804 -38.797 13.182 217 HE22 GLN 26 2HE2 GLN 26 -4.012 -39.812 11.804 218 H ILE 27 H ILE 27 1.952 -39.191 15.305 219 HA ILE 27 HA ILE 27 3.065 -37.965 13.034 220 HB ILE 27 HB ILE 27 4.372 -38.446 15.725 221 HG12 ILE 27 2HG1 ILE 27 2.850 -36.049 14.647 222 HG13 ILE 27 3HG1 ILE 27 2.264 -37.174 15.867 223 HG21 ILE 27 1HG2 ILE 27 5.118 -36.473 13.550 224 HG22 ILE 27 2HG2 ILE 27 6.025 -37.925 13.979 225 HG23 ILE 27 3HG2 ILE 27 5.873 -36.606 15.139 226 HD11 ILE 27 3HD1 ILE 27 4.061 -36.464 17.370 227 HD12 ILE 27 1HD1 ILE 27 3.026 -35.122 16.884 228 HD13 ILE 27 2HD1 ILE 27 4.614 -35.320 16.148 229 H GLU 28 H GLU 28 4.334 -40.741 14.944 230 HA GLU 28 HA GLU 28 6.522 -41.289 13.288 231 HB2 GLU 28 2HB GLU 28 6.519 -43.553 14.257 232 HB3 GLU 28 3HB GLU 28 6.319 -42.308 15.482 233 HG2 GLU 28 2HG GLU 28 3.898 -42.759 15.508 234 HG3 GLU 28 3HG GLU 28 4.143 -44.046 14.331 235 H SER 29 H SER 29 3.140 -42.263 12.946 236 HA SER 29 HA SER 29 3.439 -44.084 10.821 237 HB2 SER 29 2HB SER 29 1.314 -43.754 12.074 238 HB3 SER 29 3HB SER 29 1.112 -42.190 11.287 239 HG SER 29 HG SER 29 0.126 -44.319 10.391 240 H TYR 30 H TYR 30 3.198 -40.551 10.834 241 HA TYR 30 HA TYR 30 3.342 -40.338 7.955 242 HB2 TYR 30 2HB TYR 30 3.551 -38.278 10.156 243 HB3 TYR 30 3HB TYR 30 3.691 -37.875 8.451 244 HD1 TYR 30 HD2 TYR 30 1.586 -39.453 7.194 245 HD2 TYR 30 HD1 TYR 30 1.546 -37.378 10.914 246 HE1 TYR 30 HE2 TYR 30 -0.857 -39.222 7.035 247 HE2 TYR 30 HE1 TYR 30 -0.895 -37.143 10.759 248 HH TYR 30 HH TYR 30 -2.647 -37.149 9.074 249 H ARG 31 H ARG 31 5.642 -40.314 10.604 250 HA ARG 31 HA ARG 31 7.834 -39.147 9.258 251 HB2 ARG 31 2HB ARG 31 7.776 -41.112 11.564 252 HB3 ARG 31 3HB ARG 31 9.229 -40.294 11.003 253 HG2 ARG 31 2HG ARG 31 8.246 -38.133 11.547 254 HG3 ARG 31 3HG ARG 31 6.762 -38.925 12.073 255 HD2 ARG 31 2HD ARG 31 8.143 -38.323 13.982 256 HD3 ARG 31 3HD ARG 31 8.012 -40.077 13.843 257 HE ARG 31 HE ARG 31 10.308 -39.422 12.499 258 HH11 ARG 31 1HH1 ARG 31 9.146 -38.917 15.710 259 HH12 ARG 31 2HH1 ARG 31 10.729 -38.997 16.402 260 HH21 ARG 31 1HH2 ARG 31 12.310 -39.518 13.385 261 HH22 ARG 31 2HH2 ARG 31 12.510 -39.355 15.095 262 H GLN 32 H GLN 32 6.364 -42.190 8.840 263 HA GLN 32 HA GLN 32 8.595 -43.718 7.998 264 HB2 GLN 32 2HB GLN 32 5.691 -44.034 7.205 265 HB3 GLN 32 3HB GLN 32 6.948 -45.252 7.036 266 HG2 GLN 32 2HG GLN 32 7.198 -45.301 9.491 267 HG3 GLN 32 3HG GLN 32 5.885 -44.133 9.629 268 HE21 GLN 32 1HE2 GLN 32 3.772 -44.797 9.078 269 HE22 GLN 32 2HE2 GLN 32 3.337 -46.468 9.035 270 H GLY 33 H GLY 33 6.748 -41.239 6.408 271 HA2 GLY 33 2HA GLY 33 8.506 -41.325 4.121 272 HA3 GLY 33 3HA GLY 33 6.878 -41.852 3.741 273 H ALA 34 H ALA 34 5.400 -40.045 5.320 274 HA ALA 34 HA ALA 34 5.180 -37.907 3.501 275 HB1 ALA 34 3HB ALA 34 3.479 -37.020 4.988 276 HB2 ALA 34 1HB ALA 34 4.037 -38.070 6.289 277 HB3 ALA 34 2HB ALA 34 3.307 -38.769 4.844 278 H TRP 35 H TRP 35 6.919 -38.106 6.558 279 HA TRP 35 HA TRP 35 7.311 -35.288 6.835 280 HB2 TRP 35 2HB TRP 35 8.310 -37.721 8.213 281 HB3 TRP 35 3HB TRP 35 9.315 -36.286 8.338 282 HD1 TRP 35 HD1 TRP 35 8.832 -36.153 10.937 283 HE1 TRP 35 HE1 TRP 35 6.836 -35.286 12.295 284 HE3 TRP 35 HE3 TRP 35 5.310 -35.959 7.218 285 HZ2 TRP 35 HZ2 TRP 35 4.143 -34.600 11.868 286 HZ3 TRP 35 HZ3 TRP 35 3.050 -35.172 7.784 287 HH2 TRP 35 HH2 TRP 35 2.479 -34.507 10.062 288 H ILE 36 H ILE 36 8.277 -34.240 5.236 289 HA ILE 36 HA ILE 36 10.561 -35.229 3.788 290 HB ILE 36 HB ILE 36 9.344 -32.452 3.834 291 HG12 ILE 36 2HG1 ILE 36 8.904 -34.707 1.852 292 HG13 ILE 36 3HG1 ILE 36 7.763 -34.243 3.110 293 HG21 ILE 36 1HG2 ILE 36 10.478 -32.168 1.649 294 HG22 ILE 36 2HG2 ILE 36 11.285 -33.718 1.894 295 HG23 ILE 36 3HG2 ILE 36 11.604 -32.373 2.990 296 HD11 ILE 36 3HD1 ILE 36 7.104 -33.341 0.963 297 HD12 ILE 36 1HD1 ILE 36 8.657 -32.521 0.806 298 HD13 ILE 36 2HD1 ILE 36 7.529 -32.040 2.075 299 H GLU 37 H GLU 37 12.645 -35.053 4.409 300 HA GLU 37 HA GLU 37 13.443 -33.824 6.816 301 HB2 GLU 37 2HB GLU 37 15.740 -34.318 6.118 302 HB3 GLU 37 3HB GLU 37 14.678 -35.689 5.830 303 HG2 GLU 37 2HG GLU 37 14.559 -35.103 3.455 304 HG3 GLU 37 3HG GLU 37 15.627 -33.730 3.738 305 H GLY 38 H GLY 38 14.691 -31.976 7.228 306 HA2 GLY 38 2HA GLY 38 15.476 -29.827 6.911 307 HA3 GLY 38 3HA GLY 38 15.281 -30.041 5.181 308 H VAL 39 H VAL 39 12.737 -30.325 4.679 309 HA VAL 39 HA VAL 39 11.641 -27.734 5.121 310 HB VAL 39 HB VAL 39 10.256 -30.150 3.938 311 HG11 VAL 39 1HG1 VAL 39 8.706 -28.371 4.485 312 HG12 VAL 39 2HG1 VAL 39 8.903 -28.480 2.736 313 HG13 VAL 39 3HG1 VAL 39 9.714 -27.195 3.637 314 HG21 VAL 39 3HG2 VAL 39 11.010 -29.345 1.755 315 HG22 VAL 39 1HG2 VAL 39 12.381 -29.726 2.797 316 HG23 VAL 39 2HG2 VAL 39 11.914 -28.046 2.535 317 H HIS 40 H HIS 40 10.437 -30.976 6.106 318 HA HIS 40 HA HIS 40 8.449 -29.688 7.825 319 HB2 HIS 40 2HB HIS 40 8.808 -32.510 6.838 320 HB3 HIS 40 3HB HIS 40 7.693 -32.139 8.149 321 HD1 HIS 40 HD1 HIS 40 8.288 -31.099 4.528 322 HD2 HIS 40 HD2 HIS 40 5.216 -31.385 7.312 323 HE1 HIS 40 HE1 HIS 40 6.191 -30.537 3.272 324 HE2 HIS 40 HE2 HIS 40 4.389 -30.501 5.024 325 H PHE 41 H PHE 41 11.459 -31.406 8.129 326 HA PHE 41 HA PHE 41 11.632 -30.714 10.910 327 HB2 PHE 41 2HB PHE 41 11.728 -32.877 11.899 328 HB3 PHE 41 3HB PHE 41 10.275 -32.880 10.906 329 HD1 PHE 41 HD1 PHE 41 10.472 -33.925 8.546 330 HD2 PHE 41 HD2 PHE 41 13.327 -34.556 11.645 331 HE1 PHE 41 HE1 PHE 41 11.271 -35.947 7.401 332 HE2 PHE 41 HE2 PHE 41 14.130 -36.579 10.498 333 HZ PHE 41 HZ PHE 41 13.102 -37.274 8.375 334 H LYS 42 H LYS 42 13.799 -30.896 11.718 335 HA LYS 42 HA LYS 42 15.801 -32.062 9.945 336 HB2 LYS 42 2HB LYS 42 17.171 -29.983 9.903 337 HB3 LYS 42 3HB LYS 42 15.662 -29.861 9.012 338 HG2 LYS 42 2HG LYS 42 14.670 -28.677 10.970 339 HG3 LYS 42 3HG LYS 42 16.269 -28.685 11.720 340 HD2 LYS 42 2HD LYS 42 17.172 -27.432 9.809 341 HD3 LYS 42 3HD LYS 42 15.579 -27.430 9.055 342 HE2 LYS 42 2HE LYS 42 15.995 -25.295 10.125 343 HE3 LYS 42 3HE LYS 42 14.697 -26.143 10.964 344 HZ1 LYS 42 3HZ LYS 42 17.528 -26.114 11.852 345 HZ2 LYS 42 1HZ LYS 42 16.205 -26.752 12.694 346 HZ3 LYS 42 2HZ LYS 42 16.326 -25.086 12.451 347 H ARG 43 H ARG 43 17.799 -32.498 10.882 348 HA ARG 43 HA ARG 43 17.675 -32.988 13.722 349 HB2 ARG 43 2HB ARG 43 18.628 -34.575 12.002 350 HB3 ARG 43 3HB ARG 43 19.993 -33.480 11.841 351 HG2 ARG 43 2HG ARG 43 20.751 -35.134 13.305 352 HG3 ARG 43 3HG ARG 43 20.315 -33.797 14.369 353 HD2 ARG 43 2HD ARG 43 19.516 -35.930 15.261 354 HD3 ARG 43 3HD ARG 43 18.166 -34.870 14.850 355 HE ARG 43 HE ARG 43 18.567 -36.416 12.619 356 HH11 ARG 43 1HH1 ARG 43 17.890 -37.074 15.936 357 HH12 ARG 43 2HH1 ARG 43 17.021 -38.526 15.580 358 HH21 ARG 43 1HH2 ARG 43 17.469 -38.256 12.170 359 HH22 ARG 43 2HH2 ARG 43 16.807 -39.209 13.454 360 H VAL 44 H VAL 44 18.271 -31.515 15.211 361 HA VAL 44 HA VAL 44 20.399 -29.579 14.559 362 HB VAL 44 HB VAL 44 18.362 -29.535 16.804 363 HG11 VAL 44 1HG1 VAL 44 19.165 -27.273 17.270 364 HG12 VAL 44 2HG1 VAL 44 20.397 -27.438 16.018 365 HG13 VAL 44 3HG1 VAL 44 20.467 -28.449 17.461 366 HG21 VAL 44 3HG2 VAL 44 17.364 -27.670 15.562 367 HG22 VAL 44 1HG2 VAL 44 17.378 -29.146 14.597 368 HG23 VAL 44 2HG2 VAL 44 18.562 -27.876 14.282 369 H SER 45 H SER 45 22.345 -29.689 15.547 370 HA SER 45 HA SER 45 23.054 -32.015 17.019 371 HB2 SER 45 2HB SER 45 25.300 -31.020 17.124 372 HB3 SER 45 3HB SER 45 24.624 -30.872 15.505 373 HG SER 45 HG SER 45 25.545 -28.915 16.107 374 HA PRO 46 HA PRO 46 22.578 -30.868 21.322 375 HB2 PRO 46 2HB PRO 46 25.350 -31.907 21.710 376 HB3 PRO 46 3HB PRO 46 23.851 -32.354 22.536 377 HG2 PRO 46 2HG PRO 46 24.933 -33.977 20.722 378 HG3 PRO 46 3HG PRO 46 23.174 -33.767 20.815 379 HD2 PRO 46 2HD PRO 46 25.123 -32.591 18.864 380 HD3 PRO 46 3HD PRO 46 23.490 -33.233 18.580 381 H SER 47 H SER 47 25.832 -30.222 19.967 382 HA SER 47 HA SER 47 25.651 -27.425 20.599 383 HB2 SER 47 2HB SER 47 26.256 -28.232 22.826 384 HB3 SER 47 3HB SER 47 27.630 -29.113 22.157 385 HG SER 47 HG SER 47 28.704 -27.264 21.847 386 H GLY 48 H GLY 48 26.598 -26.439 18.931 387 HA2 GLY 48 2HA GLY 48 28.258 -25.745 17.505 388 HA3 GLY 48 3HA GLY 48 29.359 -26.777 18.391 389 H GLU 49 H GLU 49 29.765 -28.887 17.636 390 HA GLU 49 HA GLU 49 29.938 -28.945 14.806 391 HB2 GLU 49 2HB GLU 49 30.630 -31.029 16.875 392 HB3 GLU 49 3HB GLU 49 30.995 -31.192 15.163 393 HG2 GLU 49 2HG GLU 49 32.046 -29.063 17.021 394 HG3 GLU 49 3HG GLU 49 32.943 -30.441 16.388 395 H LYS 50 H LYS 50 29.335 -30.697 13.388 396 HA LYS 50 HA LYS 50 26.533 -31.300 13.596 397 HB2 LYS 50 2HB LYS 50 27.630 -30.668 11.466 398 HB3 LYS 50 3HB LYS 50 28.561 -32.158 11.516 399 HG2 LYS 50 2HG LYS 50 26.440 -33.440 11.399 400 HG3 LYS 50 3HG LYS 50 25.565 -31.915 11.242 401 HD2 LYS 50 2HD LYS 50 27.639 -33.004 9.328 402 HD3 LYS 50 3HD LYS 50 25.899 -32.914 9.051 403 HE2 LYS 50 2HE LYS 50 26.002 -30.472 9.155 404 HE3 LYS 50 3HE LYS 50 27.738 -30.551 9.459 405 HZ1 LYS 50 3HZ LYS 50 27.995 -31.635 7.293 406 HZ2 LYS 50 1HZ LYS 50 27.325 -30.090 7.154 407 HZ3 LYS 50 2HZ LYS 50 26.342 -31.456 7.005 408 H THR 51 H THR 51 26.424 -32.707 15.407 409 HA THR 51 HA THR 51 27.738 -35.312 15.218 410 HB THR 51 HB THR 51 25.884 -34.346 17.404 411 HG1 THR 51 HG1 THR 51 27.526 -33.211 18.152 412 HG21 THR 51 3HG2 THR 51 27.965 -36.541 17.368 413 HG22 THR 51 1HG2 THR 51 26.218 -36.776 17.346 414 HG23 THR 51 2HG2 THR 51 26.994 -36.065 18.760 415 H LEU 52 H LEU 52 26.622 -37.289 15.216 416 HA LEU 52 HA LEU 52 24.386 -37.345 13.458 417 HB2 LEU 52 2HB LEU 52 25.768 -39.534 15.003 418 HB3 LEU 52 3HB LEU 52 24.538 -39.821 13.785 419 HG LEU 52 HG LEU 52 26.648 -40.228 12.755 420 HD11 LEU 52 1HD1 LEU 52 26.713 -38.597 10.951 421 HD12 LEU 52 2HD1 LEU 52 25.714 -37.493 11.897 422 HD13 LEU 52 3HD1 LEU 52 25.054 -39.037 11.353 423 HD21 LEU 52 3HD2 LEU 52 28.468 -38.583 12.689 424 HD22 LEU 52 1HD2 LEU 52 28.095 -39.080 14.340 425 HD23 LEU 52 2HD2 LEU 52 27.540 -37.515 13.745 426 H ARG 53 H ARG 53 24.519 -37.104 16.838 427 HA ARG 53 HA ARG 53 21.741 -38.043 17.099 428 HB2 ARG 53 2HB ARG 53 24.007 -38.336 19.086 429 HB3 ARG 53 3HB ARG 53 22.320 -38.606 19.492 430 HG2 ARG 53 2HG ARG 53 23.846 -40.138 17.390 431 HG3 ARG 53 3HG ARG 53 23.554 -40.690 19.039 432 HD2 ARG 53 2HD ARG 53 21.134 -40.602 18.637 433 HD3 ARG 53 3HD ARG 53 21.431 -40.072 16.982 434 HE ARG 53 HE ARG 53 22.692 -42.303 16.822 435 HH11 ARG 53 1HH1 ARG 53 19.856 -41.784 18.701 436 HH12 ARG 53 2HH1 ARG 53 19.351 -43.433 18.609 437 HH21 ARG 53 1HH2 ARG 53 22.022 -44.419 16.681 438 HH22 ARG 53 2HH2 ARG 53 20.565 -44.908 17.469 439 H GLY 54 H GLY 54 20.556 -36.247 17.234 440 HA2 GLY 54 2HA GLY 54 21.155 -34.303 19.339 441 HA3 GLY 54 3HA GLY 54 21.115 -33.684 17.696 442 H THR 55 H THR 55 19.414 -32.312 18.751 443 HA THR 55 HA THR 55 16.874 -33.613 19.343 444 HB THR 55 HB THR 55 17.511 -30.648 19.269 445 HG1 THR 55 HG1 THR 55 17.540 -30.976 21.623 446 HG21 THR 55 3HG2 THR 55 15.105 -31.132 19.098 447 HG22 THR 55 1HG2 THR 55 15.500 -30.405 20.656 448 HG23 THR 55 2HG2 THR 55 15.203 -32.140 20.541 449 H THR 56 H THR 56 15.343 -33.981 17.855 450 HA THR 56 HA THR 56 15.483 -32.687 15.237 451 HB THR 56 HB THR 56 13.636 -34.888 16.216 452 HG1 THR 56 HG1 THR 56 15.045 -36.259 15.103 453 HG21 THR 56 3HG2 THR 56 14.145 -33.874 13.408 454 HG22 THR 56 1HG2 THR 56 12.669 -33.622 14.343 455 HG23 THR 56 2HG2 THR 56 13.129 -35.249 13.844 456 H TRP 57 H TRP 57 14.439 -30.806 14.956 457 HA TRP 57 HA TRP 57 11.990 -30.249 16.497 458 HB2 TRP 57 2HB TRP 57 13.708 -28.373 14.842 459 HB3 TRP 57 3HB TRP 57 12.299 -27.901 15.786 460 HD1 TRP 57 HD1 TRP 57 15.866 -29.306 16.318 461 HE1 TRP 57 HE1 TRP 57 16.677 -28.571 18.643 462 HE3 TRP 57 HE3 TRP 57 11.591 -27.064 18.006 463 HZ2 TRP 57 HZ2 TRP 57 15.652 -27.225 20.894 464 HZ3 TRP 57 HZ3 TRP 57 11.595 -26.077 20.263 465 HH2 TRP 57 HH2 TRP 57 13.584 -26.159 21.673 466 H TYR 58 H TYR 58 10.036 -29.688 15.493 467 HA TYR 58 HA TYR 58 9.850 -30.476 12.650 468 HB2 TYR 58 2HB TYR 58 7.763 -30.635 14.839 469 HB3 TYR 58 3HB TYR 58 7.489 -31.072 13.155 470 HD1 TYR 58 HD1 TYR 58 9.159 -32.046 16.288 471 HD2 TYR 58 HD2 TYR 58 8.400 -33.120 12.235 472 HE1 TYR 58 HE1 TYR 58 9.961 -34.324 16.747 473 HE2 TYR 58 HE2 TYR 58 9.202 -35.400 12.686 474 HH TYR 58 HH TYR 58 9.538 -36.676 15.689 475 H ASN 59 H ASN 59 8.641 -29.303 11.208 476 HA ASN 59 HA ASN 59 8.339 -26.480 11.832 477 HB2 ASN 59 2HB ASN 59 9.469 -27.425 9.741 478 HB3 ASN 59 3HB ASN 59 7.859 -27.848 9.175 479 HD21 ASN 59 1HD2 ASN 59 9.752 -26.065 7.967 480 HD22 ASN 59 2HD2 ASN 59 8.998 -24.512 7.888 481 H TYR 60 H TYR 60 6.473 -26.333 13.085 482 HA TYR 60 HA TYR 60 4.100 -27.675 12.886 483 HB2 TYR 60 2HB TYR 60 4.475 -26.279 14.768 484 HB3 TYR 60 3HB TYR 60 4.653 -24.845 13.768 485 HD1 TYR 60 HD1 TYR 60 2.126 -27.409 14.787 486 HD2 TYR 60 HD2 TYR 60 2.825 -23.428 13.439 487 HE1 TYR 60 HE1 TYR 60 -0.245 -26.872 15.143 488 HE2 TYR 60 HE2 TYR 60 0.455 -22.888 13.794 489 HH TYR 60 HH TYR 60 -1.609 -24.805 15.601 490 HA PRO 61 HA PRO 61 2.274 -24.214 9.817 491 HB2 PRO 61 2HB PRO 61 4.886 -23.634 8.473 492 HB3 PRO 61 3HB PRO 61 3.491 -22.575 8.732 493 HG2 PRO 61 2HG PRO 61 5.644 -22.313 10.250 494 HG3 PRO 61 3HG PRO 61 4.026 -22.201 10.970 495 HD2 PRO 61 2HD PRO 61 5.990 -24.462 11.056 496 HD3 PRO 61 3HD PRO 61 4.898 -23.866 12.322 497 H GLU 62 H GLU 62 5.098 -26.202 8.884 498 HA GLU 62 HA GLU 62 4.024 -26.931 6.334 499 HB2 GLU 62 2HB GLU 62 6.345 -27.890 7.977 500 HB3 GLU 62 3HB GLU 62 5.857 -28.778 6.542 501 HG2 GLU 62 2HG GLU 62 6.634 -25.869 6.608 502 HG3 GLU 62 3HG GLU 62 7.677 -27.198 6.102 503 H ILE 63 H ILE 63 3.932 -28.472 9.537 504 HA ILE 63 HA ILE 63 2.637 -30.849 8.586 505 HB ILE 63 HB ILE 63 2.895 -29.659 11.350 506 HG12 ILE 63 2HG1 ILE 63 4.127 -31.796 11.780 507 HG13 ILE 63 3HG1 ILE 63 3.911 -32.230 10.090 508 HG21 ILE 63 1HG2 ILE 63 1.344 -32.142 10.601 509 HG22 ILE 63 2HG2 ILE 63 0.689 -30.662 11.300 510 HG23 ILE 63 3HG2 ILE 63 1.778 -31.675 12.246 511 HD11 ILE 63 3HD1 ILE 63 6.128 -31.394 10.490 512 HD12 ILE 63 1HD1 ILE 63 5.476 -29.897 11.153 513 HD13 ILE 63 2HD1 ILE 63 5.247 -30.279 9.446 514 H ASN 64 H ASN 64 1.401 -27.910 10.197 515 HA ASN 64 HA ASN 64 -1.324 -28.434 10.073 516 HB2 ASN 64 2HB ASN 64 -0.292 -26.497 11.244 517 HB3 ASN 64 3HB ASN 64 0.021 -25.744 9.685 518 HD21 ASN 64 1HD2 ASN 64 -1.240 -23.957 10.164 519 HD22 ASN 64 2HD2 ASN 64 -2.965 -24.033 10.242 520 H LYS 65 H LYS 65 0.720 -26.846 7.651 521 HA LYS 65 HA LYS 65 -1.089 -26.381 5.615 522 HB2 LYS 65 2HB LYS 65 1.192 -25.585 5.522 523 HB3 LYS 65 3HB LYS 65 1.814 -27.226 5.498 524 HG2 LYS 65 2HG LYS 65 0.821 -27.569 3.279 525 HG3 LYS 65 3HG LYS 65 0.218 -25.908 3.303 526 HD2 LYS 65 2HD LYS 65 2.498 -25.060 3.433 527 HD3 LYS 65 3HD LYS 65 3.128 -26.706 3.496 528 HE2 LYS 65 2HE LYS 65 2.292 -27.135 1.253 529 HE3 LYS 65 3HE LYS 65 1.580 -25.523 1.187 530 HZ1 LYS 65 3HZ LYS 65 4.483 -26.105 1.447 531 HZ2 LYS 65 1HZ LYS 65 3.786 -24.568 1.342 532 HZ3 LYS 65 2HZ LYS 65 3.703 -25.628 0.026 533 H PHE 66 H PHE 66 0.747 -29.365 6.260 534 HA PHE 66 HA PHE 66 -0.091 -30.885 4.075 535 HB2 PHE 66 2HB PHE 66 1.744 -31.552 5.552 536 HB3 PHE 66 3HB PHE 66 0.617 -31.793 6.880 537 HD1 PHE 66 HD2 PHE 66 1.439 -33.011 3.461 538 HD2 PHE 66 HD1 PHE 66 -0.354 -33.895 7.226 539 HE1 PHE 66 HE2 PHE 66 1.164 -35.359 2.779 540 HE2 PHE 66 HE1 PHE 66 -0.625 -36.244 6.549 541 HZ PHE 66 HZ PHE 66 0.134 -36.977 4.320 542 H ILE 67 H ILE 67 -1.516 -30.782 7.362 543 HA ILE 67 HA ILE 67 -3.706 -32.464 6.843 544 HB ILE 67 HB ILE 67 -3.261 -30.301 8.897 545 HG12 ILE 67 2HG1 ILE 67 -3.429 -32.314 10.435 546 HG13 ILE 67 3HG1 ILE 67 -3.481 -33.311 8.988 547 HG21 ILE 67 1HG2 ILE 67 -5.757 -31.980 8.609 548 HG22 ILE 67 2HG2 ILE 67 -5.641 -30.227 8.437 549 HG23 ILE 67 3HG2 ILE 67 -5.356 -30.978 10.007 550 HD11 ILE 67 3HD1 ILE 67 -1.263 -33.260 9.975 551 HD12 ILE 67 1HD1 ILE 67 -1.212 -31.507 9.785 552 HD13 ILE 67 2HD1 ILE 67 -1.267 -32.548 8.361 553 H ARG 68 H ARG 68 -3.638 -28.897 6.910 554 HA ARG 68 HA ARG 68 -6.291 -28.447 6.219 555 HB2 ARG 68 2HB ARG 68 -3.907 -26.719 5.519 556 HB3 ARG 68 3HB ARG 68 -5.585 -26.193 5.531 557 HG2 ARG 68 2HG ARG 68 -3.974 -27.105 7.912 558 HG3 ARG 68 3HG ARG 68 -4.472 -25.454 7.541 559 HD2 ARG 68 2HD ARG 68 -6.803 -26.064 7.812 560 HD3 ARG 68 3HD ARG 68 -6.360 -27.750 8.075 561 HE ARG 68 HE ARG 68 -5.049 -26.687 10.060 562 HH11 ARG 68 1HH1 ARG 68 -8.172 -25.789 8.912 563 HH12 ARG 68 2HH1 ARG 68 -8.714 -25.278 10.474 564 HH21 ARG 68 1HH2 ARG 68 -5.772 -26.046 12.061 565 HH22 ARG 68 2HH2 ARG 68 -7.378 -25.422 12.222 566 H ASP 69 H ASP 69 -3.498 -28.733 4.012 567 HA ASP 69 HA ASP 69 -4.967 -28.254 1.639 568 HB2 ASP 69 2HB ASP 69 -2.494 -28.086 1.840 569 HB3 ASP 69 3HB ASP 69 -2.407 -29.842 1.952 570 H SER 70 H SER 70 -4.609 -31.092 3.613 571 HA SER 70 HA SER 70 -5.603 -32.962 1.671 572 HB2 SER 70 2HB SER 70 -5.447 -33.155 4.695 573 HB3 SER 70 3HB SER 70 -5.911 -34.484 3.634 574 HG SER 70 HG SER 70 -3.409 -33.154 3.789 575 H LEU 71 H LEU 71 -7.077 -30.838 4.064 576 HA LEU 71 HA LEU 71 -9.715 -31.909 3.882 577 HB2 LEU 71 2HB LEU 71 -8.559 -29.330 4.883 578 HB3 LEU 71 3HB LEU 71 -10.292 -29.459 4.666 579 HG LEU 71 HG LEU 71 -9.702 -29.887 6.980 580 HD11 LEU 71 1HD1 LEU 71 -10.760 -32.085 7.277 581 HD12 LEU 71 2HD1 LEU 71 -10.585 -32.392 5.549 582 HD13 LEU 71 3HD1 LEU 71 -11.618 -31.079 6.112 583 HD21 LEU 71 3HD2 LEU 71 -8.018 -32.168 5.943 584 HD22 LEU 71 1HD2 LEU 71 -8.364 -31.823 7.637 585 HD23 LEU 71 2HD2 LEU 71 -7.420 -30.682 6.682 586 H GLU 72 H GLU 72 -8.028 -29.290 2.173 587 HA GLU 72 HA GLU 72 -10.234 -28.485 0.592 588 HB2 GLU 72 2HB GLU 72 -7.269 -28.268 0.030 589 HB3 GLU 72 3HB GLU 72 -8.521 -27.485 -0.923 590 HG2 GLU 72 2HG GLU 72 -9.227 -26.247 1.110 591 HG3 GLU 72 3HG GLU 72 -7.869 -26.968 1.972 592 H HIS 73 H HIS 73 -11.331 -29.881 -0.646 593 HA HIS 73 HA HIS 73 -10.293 -32.189 -1.888 594 HB2 HIS 73 2HB HIS 73 -12.716 -30.593 -2.771 595 HB3 HIS 73 3HB HIS 73 -12.384 -32.286 -3.123 596 HD1 HIS 73 HD1 HIS 73 -11.966 -33.680 -0.654 597 HD2 HIS 73 HD2 HIS 73 -14.518 -30.396 -0.756 598 HE1 HIS 73 HE1 HIS 73 -13.441 -33.910 1.364 599 HE2 HIS 73 HE2 HIS 73 -14.874 -31.845 1.359 600 H HIS 74 H HIS 74 -10.701 -28.884 -3.019 601 HA HIS 74 HA HIS 74 -8.492 -29.361 -4.860 602 HB2 HIS 74 2HB HIS 74 -9.588 -27.942 -6.622 603 HB3 HIS 74 3HB HIS 74 -10.336 -29.513 -6.380 604 HD1 HIS 74 HD1 HIS 74 -12.748 -29.554 -5.518 605 HD2 HIS 74 HD2 HIS 74 -11.176 -25.726 -5.895 606 HE1 HIS 74 HE1 HIS 74 -14.711 -28.002 -5.343 607 HE2 HIS 74 HE2 HIS 74 -13.757 -25.706 -5.717 608 H HIS 75 H HIS 75 -6.946 -28.044 -4.226 609 HA HIS 75 HA HIS 75 -7.094 -26.195 -2.208 610 HB2 HIS 75 2HB HIS 75 -5.044 -27.280 -3.174 611 HB3 HIS 75 3HB HIS 75 -5.095 -26.102 -4.479 612 HD1 HIS 75 HD1 HIS 75 -4.500 -26.357 -0.767 613 HD2 HIS 75 HD2 HIS 75 -3.977 -23.651 -3.876 614 HE1 HIS 75 HE1 HIS 75 -3.081 -24.519 0.178 615 HE2 HIS 75 HE2 HIS 75 -2.640 -22.984 -1.764 616 H HIS 76 H HIS 76 -8.483 -24.512 -2.187 617 HA HIS 76 HA HIS 76 -9.117 -23.038 -4.596 618 HB2 HIS 76 2HB HIS 76 -10.796 -23.701 -2.830 619 HB3 HIS 76 3HB HIS 76 -10.079 -22.487 -1.779 620 HD1 HIS 76 HD1 HIS 76 -12.478 -22.912 -4.551 621 HD2 HIS 76 HD2 HIS 76 -10.517 -19.774 -2.656 622 HE1 HIS 76 HE1 HIS 76 -13.684 -20.835 -5.269 623 HE2 HIS 76 HE2 HIS 76 -12.588 -18.975 -3.985 624 H HIS 77 H HIS 77 -7.139 -22.512 -1.753 625 HA HIS 77 HA HIS 77 -6.918 -19.667 -2.040 626 HB2 HIS 77 2HB HIS 77 -5.352 -21.702 -0.459 627 HB3 HIS 77 3HB HIS 77 -4.933 -19.992 -0.458 628 HD1 HIS 77 HD1 HIS 77 -6.161 -18.537 1.143 629 HD2 HIS 77 HD2 HIS 77 -8.027 -22.213 0.627 630 HE1 HIS 77 HE1 HIS 77 -8.001 -18.600 2.841 631 HE2 HIS 77 HE2 HIS 77 -9.248 -20.723 2.353 632 H HIS 78 H HIS 78 -6.004 -18.773 -3.799 633 HA HIS 78 HA HIS 78 -3.236 -19.389 -4.393 634 HB2 HIS 78 2HB HIS 78 -3.850 -19.540 -6.936 635 HB3 HIS 78 3HB HIS 78 -3.965 -20.968 -5.918 636 HD1 HIS 78 HD1 HIS 78 -5.892 -22.268 -6.723 637 HD2 HIS 78 HD2 HIS 78 -6.732 -18.198 -6.657 638 HE1 HIS 78 HE1 HIS 78 -8.291 -22.065 -7.428 639 HE2 HIS 78 HE2 HIS 78 -8.734 -19.593 -7.515 Start of MODEL 20 1 H1 MET 1 1H MET 1 7.977 2.681 9.011 2 H2 MET 1 2H MET 1 6.877 1.521 9.557 3 H3 MET 1 3H MET 1 6.680 2.217 8.029 4 HA MET 1 HA MET 1 8.704 1.209 7.249 5 HB2 MET 1 2HB MET 1 8.799 -0.003 10.026 6 HB3 MET 1 3HB MET 1 9.833 -0.490 8.689 7 HG2 MET 1 2HG MET 1 10.784 1.757 8.599 8 HG3 MET 1 3HG MET 1 9.749 2.250 9.937 9 HE1 MET 1 3HE MET 1 11.861 3.127 11.283 10 HE2 MET 1 1HE MET 1 12.911 2.654 9.948 11 HE3 MET 1 2HE MET 1 13.296 2.154 11.596 12 H ALA 2 H ALA 2 7.431 0.192 5.778 13 HA ALA 2 HA ALA 2 5.771 -2.078 6.673 14 HB1 ALA 2 3HB ALA 2 4.517 -1.812 4.615 15 HB2 ALA 2 1HB ALA 2 5.616 -0.539 4.085 16 HB3 ALA 2 2HB ALA 2 4.587 -0.284 5.494 17 H GLN 3 H GLN 3 7.269 -3.739 6.719 18 HA GLN 3 HA GLN 3 8.239 -4.647 4.084 19 HB2 GLN 3 2HB GLN 3 9.822 -4.879 6.660 20 HB3 GLN 3 3HB GLN 3 10.323 -5.435 5.069 21 HG2 GLN 3 2HG GLN 3 10.357 -3.103 4.284 22 HG3 GLN 3 3HG GLN 3 9.908 -2.567 5.903 23 HE21 GLN 3 1HE2 GLN 3 11.410 -2.844 7.601 24 HE22 GLN 3 2HE2 GLN 3 13.099 -3.020 7.281 25 H ILE 4 H ILE 4 8.284 -6.898 3.788 26 HA ILE 4 HA ILE 4 6.648 -8.453 5.641 27 HB ILE 4 HB ILE 4 7.827 -9.212 2.954 28 HG12 ILE 4 2HG1 ILE 4 6.130 -7.469 2.748 29 HG13 ILE 4 3HG1 ILE 4 5.499 -8.993 2.136 30 HG21 ILE 4 1HG2 ILE 4 5.856 -10.703 4.700 31 HG22 ILE 4 2HG2 ILE 4 7.506 -11.194 4.319 32 HG23 ILE 4 3HG2 ILE 4 6.287 -11.144 3.046 33 HD11 ILE 4 3HD1 ILE 4 3.816 -7.829 3.414 34 HD12 ILE 4 1HD1 ILE 4 4.887 -7.760 4.813 35 HD13 ILE 4 2HD1 ILE 4 4.281 -9.315 4.241 36 H ILE 5 H ILE 5 7.770 -9.159 7.381 37 HA ILE 5 HA ILE 5 10.531 -9.957 7.254 38 HB ILE 5 HB ILE 5 8.514 -10.317 9.495 39 HG12 ILE 5 2HG1 ILE 5 9.921 -8.489 10.585 40 HG13 ILE 5 3HG1 ILE 5 10.669 -8.234 9.014 41 HG21 ILE 5 1HG2 ILE 5 10.308 -11.980 9.623 42 HG22 ILE 5 2HG2 ILE 5 10.434 -10.805 10.933 43 HG23 ILE 5 3HG2 ILE 5 11.512 -10.695 9.540 44 HD11 ILE 5 3HD1 ILE 5 7.745 -7.907 9.650 45 HD12 ILE 5 1HD1 ILE 5 8.500 -7.628 8.080 46 HD13 ILE 5 2HD1 ILE 5 8.922 -6.609 9.456 47 H PHE 6 H PHE 6 11.198 -11.854 6.448 48 HA PHE 6 HA PHE 6 9.409 -13.968 5.797 49 HB2 PHE 6 2HB PHE 6 12.439 -13.945 5.838 50 HB3 PHE 6 3HB PHE 6 11.440 -15.186 5.086 51 HD1 PHE 6 HD1 PHE 6 12.669 -11.741 4.824 52 HD2 PHE 6 HD2 PHE 6 10.247 -14.743 3.014 53 HE1 PHE 6 HE1 PHE 6 12.609 -10.432 2.745 54 HE2 PHE 6 HE2 PHE 6 10.186 -13.433 0.928 55 HZ PHE 6 HZ PHE 6 11.367 -11.277 0.795 56 H ASN 7 H ASN 7 8.400 -14.786 7.592 57 HA ASN 7 HA ASN 7 9.942 -15.648 9.899 58 HB2 ASN 7 2HB ASN 7 7.752 -14.504 10.163 59 HB3 ASN 7 3HB ASN 7 6.967 -15.872 9.382 60 HD21 ASN 7 1HD2 ASN 7 5.744 -16.463 11.120 61 HD22 ASN 7 2HD2 ASN 7 6.411 -17.097 12.581 62 H GLU 8 H GLU 8 10.113 -17.747 10.653 63 HA GLU 8 HA GLU 8 9.172 -19.916 8.897 64 HB2 GLU 8 2HB GLU 8 11.318 -21.126 9.430 65 HB3 GLU 8 3HB GLU 8 11.489 -19.720 8.389 66 HG2 GLU 8 2HG GLU 8 12.162 -18.407 10.421 67 HG3 GLU 8 3HG GLU 8 12.182 -19.928 11.314 68 H GLU 9 H GLU 9 7.755 -21.094 10.003 69 HA GLU 9 HA GLU 9 7.717 -20.903 12.915 70 HB2 GLU 9 2HB GLU 9 5.636 -22.013 11.025 71 HB3 GLU 9 3HB GLU 9 5.418 -21.702 12.744 72 HG2 GLU 9 2HG GLU 9 5.696 -19.326 12.394 73 HG3 GLU 9 3HG GLU 9 6.057 -19.590 10.689 74 H TRP 10 H TRP 10 9.493 -22.352 13.259 75 HA TRP 10 HA TRP 10 9.002 -25.207 12.797 76 HB2 TRP 10 2HB TRP 10 11.366 -23.839 14.124 77 HB3 TRP 10 3HB TRP 10 11.266 -25.539 13.686 78 HD1 TRP 10 HD1 TRP 10 11.973 -22.111 12.228 79 HE1 TRP 10 HE1 TRP 10 12.858 -22.378 9.832 80 HE3 TRP 10 HE3 TRP 10 11.071 -27.098 11.595 81 HZ2 TRP 10 HZ2 TRP 10 13.134 -24.439 7.917 82 HZ3 TRP 10 HZ3 TRP 10 11.675 -28.143 9.454 83 HH2 TRP 10 HH2 TRP 10 12.687 -26.840 7.647 84 H MET 11 H MET 11 8.786 -26.721 14.505 85 HA MET 11 HA MET 11 8.996 -25.886 17.258 86 HB2 MET 11 2HB MET 11 6.661 -26.513 17.860 87 HB3 MET 11 3HB MET 11 6.777 -25.066 16.873 88 HG2 MET 11 2HG MET 11 6.193 -26.422 14.888 89 HG3 MET 11 3HG MET 11 5.970 -27.813 15.950 90 HE1 MET 11 3HE MET 11 4.775 -24.173 15.122 91 HE2 MET 11 1HE MET 11 5.051 -24.075 16.862 92 HE3 MET 11 2HE MET 11 3.411 -23.977 16.221 93 H VAL 12 H VAL 12 8.936 -27.625 18.767 94 HA VAL 12 HA VAL 12 10.020 -30.047 17.701 95 HB VAL 12 HB VAL 12 10.185 -30.804 20.035 96 HG11 VAL 12 1HG1 VAL 12 11.053 -27.937 19.614 97 HG12 VAL 12 2HG1 VAL 12 11.943 -29.383 19.135 98 HG13 VAL 12 3HG1 VAL 12 11.693 -29.030 20.844 99 HG21 VAL 12 3HG2 VAL 12 8.097 -29.894 20.910 100 HG22 VAL 12 1HG2 VAL 12 8.704 -28.250 20.703 101 HG23 VAL 12 2HG2 VAL 12 9.461 -29.330 21.874 102 H GLU 13 H GLU 13 9.239 -32.232 18.587 103 HA GLU 13 HA GLU 13 6.832 -32.844 17.309 104 HB2 GLU 13 2HB GLU 13 8.656 -34.455 17.692 105 HB3 GLU 13 3HB GLU 13 8.294 -34.457 19.412 106 HG2 GLU 13 2HG GLU 13 6.047 -35.362 18.902 107 HG3 GLU 13 3HG GLU 13 6.493 -35.432 17.197 108 H LYS 14 H LYS 14 7.471 -32.812 20.827 109 HA LYS 14 HA LYS 14 4.880 -33.482 21.642 110 HB2 LYS 14 2HB LYS 14 7.027 -33.480 23.010 111 HB3 LYS 14 3HB LYS 14 6.784 -31.754 23.227 112 HG2 LYS 14 2HG LYS 14 4.582 -33.629 23.967 113 HG3 LYS 14 3HG LYS 14 5.975 -33.475 25.034 114 HD2 LYS 14 2HD LYS 14 4.279 -31.163 24.086 115 HD3 LYS 14 3HD LYS 14 4.075 -31.978 25.638 116 HE2 LYS 14 2HE LYS 14 6.445 -31.377 26.170 117 HE3 LYS 14 3HE LYS 14 6.488 -30.432 24.682 118 HZ1 LYS 14 3HZ LYS 14 4.608 -29.128 25.574 119 HZ2 LYS 14 1HZ LYS 14 6.010 -28.997 26.507 120 HZ3 LYS 14 2HZ LYS 14 4.733 -29.972 27.032 121 H ALA 15 H ALA 15 6.271 -30.325 20.909 122 HA ALA 15 HA ALA 15 3.996 -28.817 21.799 123 HB1 ALA 15 3HB ALA 15 6.249 -27.839 21.678 124 HB2 ALA 15 1HB ALA 15 5.080 -26.915 20.733 125 HB3 ALA 15 2HB ALA 15 6.215 -27.994 19.922 126 H LEU 16 H LEU 16 5.122 -30.054 18.694 127 HA LEU 16 HA LEU 16 3.313 -28.796 16.984 128 HB2 LEU 16 2HB LEU 16 5.371 -30.085 16.344 129 HB3 LEU 16 3HB LEU 16 4.499 -31.565 16.669 130 HG LEU 16 HG LEU 16 4.736 -30.887 14.238 131 HD11 LEU 16 1HD1 LEU 16 2.496 -31.606 13.618 132 HD12 LEU 16 2HD1 LEU 16 1.926 -31.304 15.259 133 HD13 LEU 16 3HD1 LEU 16 3.117 -32.569 14.959 134 HD21 LEU 16 3HD2 LEU 16 3.197 -29.219 13.364 135 HD22 LEU 16 1HD2 LEU 16 4.311 -28.497 14.525 136 HD23 LEU 16 2HD2 LEU 16 2.647 -28.844 14.997 137 H MET 17 H MET 17 3.064 -32.054 18.456 138 HA MET 17 HA MET 17 0.597 -32.769 17.401 139 HB2 MET 17 2HB MET 17 0.410 -34.368 19.261 140 HB3 MET 17 3HB MET 17 2.019 -34.368 18.558 141 HG2 MET 17 2HG MET 17 2.827 -32.994 20.412 142 HG3 MET 17 3HG MET 17 1.212 -33.001 21.118 143 HE1 MET 17 3HE MET 17 3.091 -35.959 19.301 144 HE2 MET 17 1HE MET 17 3.859 -36.763 20.671 145 HE3 MET 17 2HE MET 17 4.371 -35.143 20.199 146 H VAL 18 H VAL 18 1.265 -30.857 20.308 147 HA VAL 18 HA VAL 18 -1.430 -30.762 21.225 148 HB VAL 18 HB VAL 18 0.896 -28.932 21.863 149 HG11 VAL 18 1HG1 VAL 18 -0.401 -28.319 23.877 150 HG12 VAL 18 2HG1 VAL 18 -1.769 -29.249 23.258 151 HG13 VAL 18 3HG1 VAL 18 -1.201 -27.825 22.386 152 HG21 VAL 18 3HG2 VAL 18 1.293 -31.285 22.446 153 HG22 VAL 18 1HG2 VAL 18 -0.207 -31.307 23.375 154 HG23 VAL 18 2HG2 VAL 18 1.134 -30.281 23.887 155 H ARG 19 H ARG 19 0.542 -28.548 19.252 156 HA ARG 19 HA ARG 19 -1.520 -26.526 19.172 157 HB2 ARG 19 2HB ARG 19 1.045 -26.735 17.579 158 HB3 ARG 19 3HB ARG 19 0.005 -25.317 17.674 159 HG2 ARG 19 2HG ARG 19 0.442 -25.163 20.084 160 HG3 ARG 19 3HG ARG 19 1.506 -26.568 19.974 161 HD2 ARG 19 2HD ARG 19 2.927 -25.318 18.377 162 HD3 ARG 19 3HD ARG 19 1.888 -23.910 18.592 163 HE ARG 19 HE ARG 19 3.181 -25.049 20.955 164 HH11 ARG 19 1HH1 ARG 19 2.881 -22.480 18.692 165 HH12 ARG 19 2HH1 ARG 19 3.959 -21.435 19.544 166 HH21 ARG 19 1HH2 ARG 19 4.572 -23.711 22.064 167 HH22 ARG 19 2HH2 ARG 19 4.885 -22.118 21.463 168 H THR 20 H THR 20 -0.943 -29.358 17.377 169 HA THR 20 HA THR 20 -2.589 -28.384 15.122 170 HB THR 20 HB THR 20 -1.894 -30.428 13.922 171 HG1 THR 20 HG1 THR 20 0.090 -31.001 15.804 172 HG21 THR 20 3HG2 THR 20 0.441 -29.828 13.558 173 HG22 THR 20 1HG2 THR 20 0.457 -28.903 15.060 174 HG23 THR 20 2HG2 THR 20 -0.543 -28.371 13.708 175 H GLY 21 H GLY 21 -2.553 -30.638 17.788 176 HA2 GLY 21 2HA GLY 21 -4.501 -31.599 18.735 177 HA3 GLY 21 3HA GLY 21 -5.336 -31.385 17.205 178 H LEU 22 H LEU 22 -2.310 -32.633 16.602 179 HA LEU 22 HA LEU 22 -3.362 -35.272 16.027 180 HB2 LEU 22 2HB LEU 22 -0.745 -33.884 15.509 181 HB3 LEU 22 3HB LEU 22 -0.874 -35.622 15.312 182 HG LEU 22 HG LEU 22 -2.576 -35.342 13.589 183 HD11 LEU 22 1HD1 LEU 22 -2.241 -32.376 14.033 184 HD12 LEU 22 2HD1 LEU 22 -3.681 -33.331 14.383 185 HD13 LEU 22 3HD1 LEU 22 -3.149 -33.120 12.716 186 HD21 LEU 22 3HD2 LEU 22 -0.150 -33.611 13.103 187 HD22 LEU 22 1HD2 LEU 22 -1.185 -34.317 11.859 188 HD23 LEU 22 2HD2 LEU 22 -0.234 -35.363 12.912 189 H GLY 23 H GLY 23 -2.270 -37.248 16.713 190 HA2 GLY 23 2HA GLY 23 -1.154 -37.029 19.443 191 HA3 GLY 23 3HA GLY 23 -1.996 -38.434 18.807 192 H ALA 24 H ALA 24 0.537 -38.573 20.055 193 HA ALA 24 HA ALA 24 2.771 -38.541 18.426 194 HB1 ALA 24 3HB ALA 24 2.165 -40.599 20.550 195 HB2 ALA 24 1HB ALA 24 2.810 -38.985 20.850 196 HB3 ALA 24 2HB ALA 24 3.759 -40.158 19.936 197 H ARG 25 H ARG 25 0.338 -41.121 18.724 198 HA ARG 25 HA ARG 25 1.568 -43.024 17.049 199 HB2 ARG 25 2HB ARG 25 -0.620 -44.080 16.904 200 HB3 ARG 25 3HB ARG 25 -0.335 -43.527 18.550 201 HG2 ARG 25 2HG ARG 25 -1.762 -41.605 18.197 202 HG3 ARG 25 3HG ARG 25 -1.978 -42.042 16.503 203 HD2 ARG 25 2HD ARG 25 -3.923 -42.708 17.754 204 HD3 ARG 25 3HD ARG 25 -3.062 -44.144 17.210 205 HE ARG 25 HE ARG 25 -2.181 -44.311 19.515 206 HH11 ARG 25 1HH1 ARG 25 -4.978 -42.386 18.970 207 HH12 ARG 25 2HH1 ARG 25 -5.640 -42.706 20.534 208 HH21 ARG 25 1HH2 ARG 25 -3.020 -44.694 21.542 209 HH22 ARG 25 2HH2 ARG 25 -4.540 -43.988 21.978 210 H GLN 26 H GLN 26 -0.343 -40.185 16.298 211 HA GLN 26 HA GLN 26 -0.903 -40.970 13.577 212 HB2 GLN 26 2HB GLN 26 -2.384 -39.513 15.028 213 HB3 GLN 26 3HB GLN 26 -1.207 -38.224 14.810 214 HG2 GLN 26 2HG GLN 26 -1.589 -38.252 12.407 215 HG3 GLN 26 3HG GLN 26 -2.713 -39.600 12.586 216 HE21 GLN 26 1HE2 GLN 26 -3.216 -36.968 11.472 217 HE22 GLN 26 2HE2 GLN 26 -4.487 -36.282 12.417 218 H ILE 27 H ILE 27 1.371 -38.812 15.217 219 HA ILE 27 HA ILE 27 2.503 -37.623 12.916 220 HB ILE 27 HB ILE 27 3.821 -38.128 15.599 221 HG12 ILE 27 2HG1 ILE 27 2.303 -35.713 14.557 222 HG13 ILE 27 3HG1 ILE 27 1.741 -36.833 15.793 223 HG21 ILE 27 1HG2 ILE 27 4.561 -36.204 13.384 224 HG22 ILE 27 2HG2 ILE 27 5.468 -37.635 13.872 225 HG23 ILE 27 3HG2 ILE 27 5.320 -36.270 14.977 226 HD11 ILE 27 3HD1 ILE 27 4.105 -34.979 16.011 227 HD12 ILE 27 1HD1 ILE 27 3.599 -36.138 17.242 228 HD13 ILE 27 2HD1 ILE 27 2.541 -34.798 16.804 229 H GLU 28 H GLU 28 3.592 -40.448 14.844 230 HA GLU 28 HA GLU 28 5.792 -41.122 13.224 231 HB2 GLU 28 2HB GLU 28 5.671 -43.348 14.262 232 HB3 GLU 28 3HB GLU 28 5.504 -42.067 15.454 233 HG2 GLU 28 2HG GLU 28 3.070 -42.411 15.466 234 HG3 GLU 28 3HG GLU 28 3.259 -43.716 14.296 235 H SER 29 H SER 29 2.369 -41.967 12.963 236 HA SER 29 HA SER 29 2.534 -43.863 10.898 237 HB2 SER 29 2HB SER 29 0.459 -43.440 12.173 238 HB3 SER 29 3HB SER 29 0.308 -41.862 11.397 239 HG SER 29 HG SER 29 -0.231 -44.395 10.416 240 H TYR 30 H TYR 30 2.417 -40.324 10.778 241 HA TYR 30 HA TYR 30 2.373 -40.156 7.921 242 HB2 TYR 30 2HB TYR 30 3.148 -38.133 10.033 243 HB3 TYR 30 3HB TYR 30 3.055 -37.768 8.315 244 HD1 TYR 30 HD2 TYR 30 0.488 -39.831 8.252 245 HD2 TYR 30 HD1 TYR 30 1.522 -36.233 10.288 246 HE1 TYR 30 HE2 TYR 30 -1.897 -39.273 8.477 247 HE2 TYR 30 HE1 TYR 30 -0.858 -35.674 10.515 248 HH TYR 30 HH TYR 30 -2.997 -36.222 9.298 249 H ARG 31 H ARG 31 4.943 -40.184 10.347 250 HA ARG 31 HA ARG 31 7.052 -39.455 8.602 251 HB2 ARG 31 2HB ARG 31 7.115 -40.956 11.226 252 HB3 ARG 31 3HB ARG 31 8.553 -40.409 10.369 253 HG2 ARG 31 2HG ARG 31 7.574 -38.070 10.488 254 HG3 ARG 31 3HG ARG 31 6.388 -38.728 11.615 255 HD2 ARG 31 2HD ARG 31 9.385 -38.812 11.983 256 HD3 ARG 31 3HD ARG 31 8.300 -37.650 12.745 257 HE ARG 31 HE ARG 31 7.904 -40.514 13.235 258 HH11 ARG 31 1HH1 ARG 31 8.879 -37.420 14.390 259 HH12 ARG 31 2HH1 ARG 31 8.760 -37.884 16.050 260 HH21 ARG 31 1HH2 ARG 31 7.783 -41.103 15.360 261 HH22 ARG 31 2HH2 ARG 31 8.139 -39.949 16.598 262 H GLN 32 H GLN 32 5.277 -42.338 8.747 263 HA GLN 32 HA GLN 32 7.162 -44.238 7.927 264 HB2 GLN 32 2HB GLN 32 4.244 -44.003 7.164 265 HB3 GLN 32 3HB GLN 32 5.241 -45.419 6.860 266 HG2 GLN 32 2HG GLN 32 5.606 -45.620 9.315 267 HG3 GLN 32 3HG GLN 32 4.466 -44.296 9.550 268 HE21 GLN 32 1HE2 GLN 32 2.262 -44.652 9.075 269 HE22 GLN 32 2HE2 GLN 32 1.613 -46.247 8.969 270 H GLY 33 H GLY 33 5.595 -41.667 6.080 271 HA2 GLY 33 2HA GLY 33 7.572 -41.679 4.079 272 HA3 GLY 33 3HA GLY 33 6.217 -42.618 3.488 273 H ALA 34 H ALA 34 5.781 -39.790 5.544 274 HA ALA 34 HA ALA 34 4.898 -38.251 3.174 275 HB1 ALA 34 3HB ALA 34 3.167 -37.216 4.542 276 HB2 ALA 34 1HB ALA 34 3.690 -38.156 5.941 277 HB3 ALA 34 2HB ALA 34 2.989 -38.971 4.543 278 H TRP 35 H TRP 35 6.722 -38.294 6.103 279 HA TRP 35 HA TRP 35 7.129 -35.430 6.245 280 HB2 TRP 35 2HB TRP 35 7.723 -37.774 7.926 281 HB3 TRP 35 3HB TRP 35 8.979 -36.546 7.961 282 HD1 TRP 35 HD1 TRP 35 8.578 -35.676 10.351 283 HE1 TRP 35 HE1 TRP 35 6.672 -34.420 11.524 284 HE3 TRP 35 HE3 TRP 35 4.938 -36.130 6.765 285 HZ2 TRP 35 HZ2 TRP 35 4.005 -33.707 11.018 286 HZ3 TRP 35 HZ3 TRP 35 2.740 -35.112 7.205 287 HH2 TRP 35 HH2 TRP 35 2.284 -33.931 9.285 288 H ILE 36 H ILE 36 8.754 -34.306 5.373 289 HA ILE 36 HA ILE 36 11.115 -35.709 4.284 290 HB ILE 36 HB ILE 36 9.656 -33.431 2.911 291 HG12 ILE 36 2HG1 ILE 36 9.738 -36.366 2.143 292 HG13 ILE 36 3HG1 ILE 36 8.350 -35.534 2.835 293 HG21 ILE 36 1HG2 ILE 36 11.157 -33.890 1.026 294 HG22 ILE 36 2HG2 ILE 36 11.974 -35.130 1.979 295 HG23 ILE 36 3HG2 ILE 36 12.054 -33.441 2.478 296 HD11 ILE 36 3HD1 ILE 36 8.084 -35.784 0.451 297 HD12 ILE 36 1HD1 ILE 36 9.616 -34.957 0.165 298 HD13 ILE 36 2HD1 ILE 36 8.256 -34.079 0.866 299 H GLU 37 H GLU 37 13.073 -34.680 4.688 300 HA GLU 37 HA GLU 37 13.132 -32.477 6.495 301 HB2 GLU 37 2HB GLU 37 15.552 -32.560 6.305 302 HB3 GLU 37 3HB GLU 37 14.897 -34.180 6.493 303 HG2 GLU 37 2HG GLU 37 15.230 -34.639 4.149 304 HG3 GLU 37 3HG GLU 37 15.745 -32.975 3.861 305 H GLY 38 H GLY 38 14.130 -30.376 6.127 306 HA2 GLY 38 2HA GLY 38 14.437 -28.416 4.927 307 HA3 GLY 38 3HA GLY 38 14.283 -29.334 3.437 308 H VAL 39 H VAL 39 11.813 -30.422 3.591 309 HA VAL 39 HA VAL 39 10.097 -28.130 3.171 310 HB VAL 39 HB VAL 39 9.399 -31.068 2.931 311 HG11 VAL 39 1HG1 VAL 39 7.611 -30.274 1.436 312 HG12 VAL 39 2HG1 VAL 39 8.064 -28.606 1.791 313 HG13 VAL 39 3HG1 VAL 39 7.435 -29.641 3.074 314 HG21 VAL 39 3HG2 VAL 39 9.845 -30.818 0.532 315 HG22 VAL 39 1HG2 VAL 39 11.296 -30.535 1.494 316 HG23 VAL 39 2HG2 VAL 39 10.413 -29.171 0.807 317 H HIS 40 H HIS 40 9.831 -31.095 5.176 318 HA HIS 40 HA HIS 40 7.664 -29.808 6.692 319 HB2 HIS 40 2HB HIS 40 8.416 -32.702 6.296 320 HB3 HIS 40 3HB HIS 40 7.252 -32.193 7.515 321 HD1 HIS 40 HD1 HIS 40 7.680 -32.525 3.803 322 HD2 HIS 40 HD2 HIS 40 4.758 -31.406 6.534 323 HE1 HIS 40 HE1 HIS 40 5.552 -32.398 2.491 324 HE2 HIS 40 HE2 HIS 40 3.823 -31.584 4.129 325 H PHE 41 H PHE 41 10.930 -30.977 7.113 326 HA PHE 41 HA PHE 41 11.035 -29.819 9.747 327 HB2 PHE 41 2HB PHE 41 11.638 -31.815 11.000 328 HB3 PHE 41 3HB PHE 41 10.055 -32.038 10.268 329 HD1 PHE 41 HD1 PHE 41 9.731 -33.639 8.454 330 HD2 PHE 41 HD2 PHE 41 13.545 -33.130 10.282 331 HE1 PHE 41 HE1 PHE 41 10.501 -35.744 7.442 332 HE2 PHE 41 HE2 PHE 41 14.315 -35.234 9.269 333 HZ PHE 41 HZ PHE 41 12.794 -36.543 7.848 334 H LYS 42 H LYS 42 13.305 -30.193 10.760 335 HA LYS 42 HA LYS 42 15.360 -31.073 8.910 336 HB2 LYS 42 2HB LYS 42 16.629 -29.028 8.837 337 HB3 LYS 42 3HB LYS 42 15.005 -28.704 8.251 338 HG2 LYS 42 2HG LYS 42 14.412 -27.675 10.368 339 HG3 LYS 42 3HG LYS 42 16.003 -28.067 11.027 340 HD2 LYS 42 2HD LYS 42 15.466 -26.243 8.669 341 HD3 LYS 42 3HD LYS 42 15.863 -25.716 10.304 342 HE2 LYS 42 2HE LYS 42 18.044 -26.799 10.143 343 HE3 LYS 42 3HE LYS 42 17.650 -27.393 8.532 344 HZ1 LYS 42 3HZ LYS 42 17.558 -25.134 7.736 345 HZ2 LYS 42 1HZ LYS 42 19.050 -25.405 8.487 346 HZ3 LYS 42 2HZ LYS 42 17.846 -24.527 9.286 347 H ARG 43 H ARG 43 17.533 -31.114 9.887 348 HA ARG 43 HA ARG 43 17.347 -31.856 12.703 349 HB2 ARG 43 2HB ARG 43 19.596 -32.778 12.413 350 HB3 ARG 43 3HB ARG 43 18.515 -33.359 11.155 351 HG2 ARG 43 2HG ARG 43 19.474 -31.829 9.553 352 HG3 ARG 43 3HG ARG 43 20.470 -31.091 10.808 353 HD2 ARG 43 2HD ARG 43 21.627 -33.248 11.129 354 HD3 ARG 43 3HD ARG 43 20.663 -33.941 9.823 355 HE ARG 43 HE ARG 43 21.780 -31.843 8.607 356 HH11 ARG 43 1HH1 ARG 43 23.168 -34.309 10.578 357 HH12 ARG 43 2HH1 ARG 43 24.719 -34.171 9.840 358 HH21 ARG 43 1HH2 ARG 43 23.763 -31.683 7.670 359 HH22 ARG 43 2HH2 ARG 43 25.056 -32.698 8.201 360 H VAL 44 H VAL 44 18.293 -30.801 14.394 361 HA VAL 44 HA VAL 44 19.627 -28.234 13.805 362 HB VAL 44 HB VAL 44 18.130 -29.114 16.286 363 HG11 VAL 44 1HG1 VAL 44 19.480 -26.469 15.704 364 HG12 VAL 44 2HG1 VAL 44 19.986 -27.654 16.910 365 HG13 VAL 44 3HG1 VAL 44 18.447 -26.813 17.092 366 HG21 VAL 44 3HG2 VAL 44 16.531 -27.366 15.637 367 HG22 VAL 44 1HG2 VAL 44 16.675 -28.611 14.396 368 HG23 VAL 44 2HG2 VAL 44 17.469 -27.051 14.177 369 H SER 45 H SER 45 21.700 -27.942 14.348 370 HA SER 45 HA SER 45 23.141 -30.088 15.719 371 HB2 SER 45 2HB SER 45 24.062 -29.204 13.617 372 HB3 SER 45 3HB SER 45 24.163 -27.592 14.327 373 HG SER 45 HG SER 45 25.913 -29.616 14.486 374 HA PRO 46 HA PRO 46 22.986 -27.545 19.474 375 HB2 PRO 46 2HB PRO 46 24.304 -29.790 20.805 376 HB3 PRO 46 3HB PRO 46 22.676 -29.153 21.050 377 HG2 PRO 46 2HG PRO 46 23.153 -31.572 19.905 378 HG3 PRO 46 3HG PRO 46 21.745 -30.575 19.502 379 HD2 PRO 46 2HD PRO 46 24.320 -30.908 17.995 380 HD3 PRO 46 3HD PRO 46 22.652 -30.846 17.379 381 H SER 47 H SER 47 24.656 -26.160 18.464 382 HA SER 47 HA SER 47 26.702 -25.147 18.338 383 HB2 SER 47 2HB SER 47 27.116 -26.552 20.996 384 HB3 SER 47 3HB SER 47 28.118 -25.242 20.377 385 HG SER 47 HG SER 47 25.749 -24.271 20.217 386 H GLY 48 H GLY 48 26.481 -27.640 16.973 387 HA2 GLY 48 2HA GLY 48 28.285 -28.695 15.713 388 HA3 GLY 48 3HA GLY 48 29.238 -28.708 17.191 389 H GLU 49 H GLU 49 27.748 -30.747 15.187 390 HA GLU 49 HA GLU 49 26.025 -32.207 16.943 391 HB2 GLU 49 2HB GLU 49 27.153 -32.884 14.222 392 HB3 GLU 49 3HB GLU 49 26.044 -33.933 15.098 393 HG2 GLU 49 2HG GLU 49 24.361 -32.155 15.095 394 HG3 GLU 49 3HG GLU 49 25.471 -31.108 14.210 395 H LYS 50 H LYS 50 27.525 -32.495 18.729 396 HA LYS 50 HA LYS 50 29.164 -34.922 18.356 397 HB2 LYS 50 2HB LYS 50 29.281 -32.783 20.485 398 HB3 LYS 50 3HB LYS 50 30.137 -34.312 20.622 399 HG2 LYS 50 2HG LYS 50 30.563 -32.579 18.216 400 HG3 LYS 50 3HG LYS 50 31.360 -32.186 19.736 401 HD2 LYS 50 2HD LYS 50 32.914 -33.478 18.513 402 HD3 LYS 50 3HD LYS 50 32.255 -34.565 19.731 403 HE2 LYS 50 2HE LYS 50 30.775 -35.554 18.059 404 HE3 LYS 50 3HE LYS 50 31.391 -34.442 16.836 405 HZ1 LYS 50 3HZ LYS 50 33.626 -35.439 17.284 406 HZ2 LYS 50 1HZ LYS 50 32.508 -36.491 16.574 407 HZ3 LYS 50 2HZ LYS 50 32.853 -36.616 18.222 408 H THR 51 H THR 51 26.159 -34.319 18.958 409 HA THR 51 HA THR 51 25.864 -36.311 21.121 410 HB THR 51 HB THR 51 23.518 -35.486 21.334 411 HG1 THR 51 HG1 THR 51 22.936 -33.576 20.258 412 HG21 THR 51 3HG2 THR 51 25.206 -34.607 22.850 413 HG22 THR 51 1HG2 THR 51 24.053 -33.341 22.428 414 HG23 THR 51 2HG2 THR 51 25.649 -33.367 21.676 415 H LEU 52 H LEU 52 24.581 -38.118 20.769 416 HA LEU 52 HA LEU 52 23.990 -38.749 17.983 417 HB2 LEU 52 2HB LEU 52 23.833 -40.436 20.491 418 HB3 LEU 52 3HB LEU 52 23.429 -41.022 18.890 419 HG LEU 52 HG LEU 52 25.603 -41.816 19.322 420 HD11 LEU 52 1HD1 LEU 52 25.946 -39.325 17.653 421 HD12 LEU 52 2HD1 LEU 52 25.319 -40.872 17.081 422 HD13 LEU 52 3HD1 LEU 52 26.987 -40.750 17.639 423 HD21 LEU 52 3HD2 LEU 52 27.466 -40.419 20.079 424 HD22 LEU 52 1HD2 LEU 52 26.140 -40.412 21.243 425 HD23 LEU 52 2HD2 LEU 52 26.388 -39.027 20.180 426 H ARG 53 H ARG 53 22.367 -37.081 20.212 427 HA ARG 53 HA ARG 53 19.733 -38.156 19.411 428 HB2 ARG 53 2HB ARG 53 20.248 -36.591 21.941 429 HB3 ARG 53 3HB ARG 53 18.814 -37.516 21.514 430 HG2 ARG 53 2HG ARG 53 21.542 -38.647 22.127 431 HG3 ARG 53 3HG ARG 53 20.148 -38.647 23.208 432 HD2 ARG 53 2HD ARG 53 18.918 -40.058 21.593 433 HD3 ARG 53 3HD ARG 53 20.339 -40.075 20.546 434 HE ARG 53 HE ARG 53 20.912 -40.985 23.195 435 HH11 ARG 53 1HH1 ARG 53 19.696 -41.966 20.117 436 HH12 ARG 53 2HH1 ARG 53 20.066 -43.631 20.391 437 HH21 ARG 53 1HH2 ARG 53 21.381 -43.119 23.520 438 HH22 ARG 53 2HH2 ARG 53 20.990 -44.278 22.297 439 H GLY 54 H GLY 54 19.855 -36.743 17.536 440 HA2 GLY 54 2HA GLY 54 20.022 -33.893 17.861 441 HA3 GLY 54 3HA GLY 54 19.570 -34.753 16.398 442 H THR 55 H THR 55 18.450 -32.439 18.263 443 HA THR 55 HA THR 55 15.705 -33.320 18.622 444 HB THR 55 HB THR 55 16.888 -30.541 18.915 445 HG1 THR 55 HG1 THR 55 16.576 -31.164 21.233 446 HG21 THR 55 3HG2 THR 55 14.454 -30.498 18.547 447 HG22 THR 55 1HG2 THR 55 14.857 -30.036 20.202 448 HG23 THR 55 2HG2 THR 55 14.234 -31.650 19.864 449 H THR 56 H THR 56 14.346 -33.429 16.947 450 HA THR 56 HA THR 56 14.880 -31.919 14.508 451 HB THR 56 HB THR 56 12.760 -34.013 15.061 452 HG1 THR 56 HG1 THR 56 14.428 -35.301 14.911 453 HG21 THR 56 3HG2 THR 56 13.718 -32.849 12.439 454 HG22 THR 56 1HG2 THR 56 12.158 -32.527 13.197 455 HG23 THR 56 2HG2 THR 56 12.543 -34.150 12.624 456 H TRP 57 H TRP 57 13.854 -30.112 13.954 457 HA TRP 57 HA TRP 57 11.376 -29.365 15.367 458 HB2 TRP 57 2HB TRP 57 13.424 -27.686 13.897 459 HB3 TRP 57 3HB TRP 57 11.876 -27.051 14.446 460 HD1 TRP 57 HD1 TRP 57 14.803 -29.002 16.133 461 HE1 TRP 57 HE1 TRP 57 15.242 -27.922 18.426 462 HE3 TRP 57 HE3 TRP 57 11.182 -25.395 16.047 463 HZ2 TRP 57 HZ2 TRP 57 14.190 -25.831 19.996 464 HZ3 TRP 57 HZ3 TRP 57 10.963 -23.897 17.985 465 HH2 TRP 57 HH2 TRP 57 12.439 -24.113 19.919 466 H TYR 58 H TYR 58 9.488 -29.124 14.296 467 HA TYR 58 HA TYR 58 9.461 -29.854 11.443 468 HB2 TYR 58 2HB TYR 58 7.190 -29.931 13.443 469 HB3 TYR 58 3HB TYR 58 7.175 -30.590 11.814 470 HD1 TYR 58 HD1 TYR 58 8.413 -31.066 15.246 471 HD2 TYR 58 HD2 TYR 58 8.216 -32.728 11.330 472 HE1 TYR 58 HE1 TYR 58 9.129 -33.241 16.138 473 HE2 TYR 58 HE2 TYR 58 8.932 -34.906 12.217 474 HH TYR 58 HH TYR 58 9.074 -35.559 15.606 475 H ASN 59 H ASN 59 8.292 -28.660 9.932 476 HA ASN 59 HA ASN 59 7.692 -25.902 10.523 477 HB2 ASN 59 2HB ASN 59 7.619 -27.597 8.045 478 HB3 ASN 59 3HB ASN 59 6.764 -26.058 8.056 479 HD21 ASN 59 1HD2 ASN 59 9.120 -26.921 6.537 480 HD22 ASN 59 2HD2 ASN 59 10.345 -25.765 6.903 481 H TYR 60 H TYR 60 5.924 -25.490 11.696 482 HA TYR 60 HA TYR 60 3.609 -26.989 11.923 483 HB2 TYR 60 2HB TYR 60 4.150 -25.221 13.492 484 HB3 TYR 60 3HB TYR 60 3.951 -23.998 12.242 485 HD1 TYR 60 HD1 TYR 60 2.101 -26.564 14.211 486 HD2 TYR 60 HD2 TYR 60 1.821 -23.035 11.837 487 HE1 TYR 60 HE1 TYR 60 -0.273 -26.351 14.812 488 HE2 TYR 60 HE2 TYR 60 -0.553 -22.814 12.440 489 HH TYR 60 HH TYR 60 -2.008 -24.580 14.938 490 HA PRO 61 HA PRO 61 1.460 -24.129 8.541 491 HB2 PRO 61 2HB PRO 61 3.193 -23.312 6.552 492 HB3 PRO 61 3HB PRO 61 2.661 -22.304 7.901 493 HG2 PRO 61 2HG PRO 61 5.189 -23.890 7.603 494 HG3 PRO 61 3HG PRO 61 4.970 -22.241 8.224 495 HD2 PRO 61 2HD PRO 61 5.313 -24.294 9.893 496 HD3 PRO 61 3HD PRO 61 4.165 -22.994 10.282 497 H GLU 62 H GLU 62 4.330 -25.960 7.467 498 HA GLU 62 HA GLU 62 3.119 -27.020 5.135 499 HB2 GLU 62 2HB GLU 62 5.526 -27.906 6.734 500 HB3 GLU 62 3HB GLU 62 5.029 -28.693 5.239 501 HG2 GLU 62 2HG GLU 62 5.805 -25.791 5.531 502 HG3 GLU 62 3HG GLU 62 6.814 -27.070 4.858 503 H ILE 63 H ILE 63 3.451 -28.316 8.428 504 HA ILE 63 HA ILE 63 2.213 -30.817 7.869 505 HB ILE 63 HB ILE 63 2.422 -29.314 10.486 506 HG12 ILE 63 2HG1 ILE 63 4.110 -31.540 9.311 507 HG13 ILE 63 3HG1 ILE 63 4.595 -29.855 9.459 508 HG21 ILE 63 1HG2 ILE 63 0.621 -30.973 10.569 509 HG22 ILE 63 2HG2 ILE 63 1.984 -31.472 11.569 510 HG23 ILE 63 3HG2 ILE 63 1.732 -32.217 9.991 511 HD11 ILE 63 3HD1 ILE 63 4.536 -30.026 11.871 512 HD12 ILE 63 1HD1 ILE 63 5.584 -31.264 11.183 513 HD13 ILE 63 2HD1 ILE 63 3.973 -31.694 11.755 514 H ASN 64 H ASN 64 0.944 -27.707 9.053 515 HA ASN 64 HA ASN 64 -1.741 -28.468 9.365 516 HB2 ASN 64 2HB ASN 64 -0.870 -26.335 10.214 517 HB3 ASN 64 3HB ASN 64 -0.620 -25.766 8.566 518 HD21 ASN 64 1HD2 ASN 64 -3.000 -26.538 10.996 519 HD22 ASN 64 2HD2 ASN 64 -4.324 -25.733 10.229 520 H LYS 65 H LYS 65 -0.003 -27.245 6.515 521 HA LYS 65 HA LYS 65 -2.137 -27.202 4.699 522 HB2 LYS 65 2HB LYS 65 0.045 -26.221 4.194 523 HB3 LYS 65 3HB LYS 65 0.791 -27.812 4.210 524 HG2 LYS 65 2HG LYS 65 -0.459 -28.457 2.233 525 HG3 LYS 65 3HG LYS 65 -1.324 -26.919 2.250 526 HD2 LYS 65 2HD LYS 65 0.479 -26.908 0.593 527 HD3 LYS 65 3HD LYS 65 0.774 -25.722 1.863 528 HE2 LYS 65 2HE LYS 65 2.292 -27.345 2.967 529 HE3 LYS 65 3HE LYS 65 2.045 -28.451 1.617 530 HZ1 LYS 65 3HZ LYS 65 3.053 -26.885 0.136 531 HZ2 LYS 65 1HZ LYS 65 4.093 -27.115 1.447 532 HZ3 LYS 65 2HZ LYS 65 3.159 -25.714 1.349 533 H PHE 66 H PHE 66 0.068 -29.849 5.587 534 HA PHE 66 HA PHE 66 -1.019 -31.823 3.896 535 HB2 PHE 66 2HB PHE 66 1.148 -32.061 5.066 536 HB3 PHE 66 3HB PHE 66 0.300 -32.184 6.604 537 HD1 PHE 66 HD2 PHE 66 0.653 -33.837 3.288 538 HD2 PHE 66 HD1 PHE 66 -0.427 -34.272 7.388 539 HE1 PHE 66 HE2 PHE 66 0.465 -36.271 2.978 540 HE2 PHE 66 HE1 PHE 66 -0.613 -36.705 7.081 541 HZ PHE 66 HZ PHE 66 -0.168 -37.709 4.876 542 H ILE 67 H ILE 67 -1.908 -30.799 7.178 543 HA ILE 67 HA ILE 67 -3.889 -32.716 7.710 544 HB ILE 67 HB ILE 67 -3.786 -29.816 8.581 545 HG12 ILE 67 2HG1 ILE 67 -2.953 -32.348 10.033 546 HG13 ILE 67 3HG1 ILE 67 -1.853 -31.190 9.294 547 HG21 ILE 67 1HG2 ILE 67 -5.476 -32.074 9.663 548 HG22 ILE 67 2HG2 ILE 67 -6.059 -30.661 8.784 549 HG23 ILE 67 3HG2 ILE 67 -5.334 -30.467 10.378 550 HD11 ILE 67 3HD1 ILE 67 -3.710 -30.632 11.597 551 HD12 ILE 67 1HD1 ILE 67 -2.599 -29.476 10.860 552 HD13 ILE 67 2HD1 ILE 67 -1.969 -30.895 11.698 553 H ARG 68 H ARG 68 -4.156 -29.548 6.078 554 HA ARG 68 HA ARG 68 -6.894 -29.597 5.475 555 HB2 ARG 68 2HB ARG 68 -4.677 -28.516 3.712 556 HB3 ARG 68 3HB ARG 68 -6.374 -28.069 3.634 557 HG2 ARG 68 2HG ARG 68 -4.520 -27.524 5.948 558 HG3 ARG 68 3HG ARG 68 -5.011 -26.359 4.720 559 HD2 ARG 68 2HD ARG 68 -7.398 -26.780 5.446 560 HD3 ARG 68 3HD ARG 68 -6.735 -27.682 6.812 561 HE ARG 68 HE ARG 68 -6.106 -24.842 6.312 562 HH11 ARG 68 1HH1 ARG 68 -7.013 -27.385 8.456 563 HH12 ARG 68 2HH1 ARG 68 -6.927 -26.371 9.856 564 HH21 ARG 68 1HH2 ARG 68 -6.006 -23.564 8.085 565 HH22 ARG 68 2HH2 ARG 68 -6.358 -24.220 9.648 566 H ASP 69 H ASP 69 -4.149 -30.762 3.555 567 HA ASP 69 HA ASP 69 -5.510 -31.724 1.327 568 HB2 ASP 69 2HB ASP 69 -3.023 -31.394 1.634 569 HB3 ASP 69 3HB ASP 69 -2.995 -32.907 2.531 570 H SER 70 H SER 70 -4.947 -33.243 4.446 571 HA SER 70 HA SER 70 -5.884 -35.852 3.595 572 HB2 SER 70 2HB SER 70 -5.185 -34.833 6.364 573 HB3 SER 70 3HB SER 70 -5.494 -36.515 5.939 574 HG SER 70 HG SER 70 -3.379 -34.873 4.974 575 H LEU 71 H LEU 71 -7.145 -33.225 5.653 576 HA LEU 71 HA LEU 71 -9.323 -34.814 6.632 577 HB2 LEU 71 2HB LEU 71 -8.222 -33.054 7.966 578 HB3 LEU 71 3HB LEU 71 -8.858 -31.841 6.871 579 HG LEU 71 HG LEU 71 -11.162 -32.462 7.532 580 HD11 LEU 71 1HD1 LEU 71 -9.814 -34.295 9.519 581 HD12 LEU 71 2HD1 LEU 71 -10.780 -34.792 8.128 582 HD13 LEU 71 3HD1 LEU 71 -11.537 -33.918 9.459 583 HD21 LEU 71 3HD2 LEU 71 -11.098 -31.509 9.788 584 HD22 LEU 71 1HD2 LEU 71 -10.044 -30.631 8.681 585 HD23 LEU 71 2HD2 LEU 71 -9.353 -31.759 9.847 586 H GLU 72 H GLU 72 -9.046 -32.277 4.158 587 HA GLU 72 HA GLU 72 -11.770 -31.750 3.780 588 HB2 GLU 72 2HB GLU 72 -9.496 -31.696 1.783 589 HB3 GLU 72 3HB GLU 72 -11.097 -31.044 1.465 590 HG2 GLU 72 2HG GLU 72 -9.292 -30.108 3.691 591 HG3 GLU 72 3HG GLU 72 -9.403 -29.343 2.109 592 H HIS 73 H HIS 73 -13.200 -33.406 3.633 593 HA HIS 73 HA HIS 73 -12.565 -35.865 2.265 594 HB2 HIS 73 2HB HIS 73 -15.238 -35.022 3.406 595 HB3 HIS 73 3HB HIS 73 -14.698 -36.660 3.055 596 HD1 HIS 73 HD1 HIS 73 -14.832 -34.174 5.708 597 HD2 HIS 73 HD2 HIS 73 -12.557 -37.550 4.867 598 HE1 HIS 73 HE1 HIS 73 -13.746 -34.812 7.877 599 HE2 HIS 73 HE2 HIS 73 -12.322 -36.812 7.337 600 H HIS 74 H HIS 74 -12.260 -34.940 0.087 601 HA HIS 74 HA HIS 74 -14.824 -34.410 -1.287 602 HB2 HIS 74 2HB HIS 74 -13.050 -32.627 -1.399 603 HB3 HIS 74 3HB HIS 74 -12.046 -33.756 -2.300 604 HD1 HIS 74 HD1 HIS 74 -12.295 -33.654 -4.771 605 HD2 HIS 74 HD2 HIS 74 -15.591 -32.058 -2.807 606 HE1 HIS 74 HE1 HIS 74 -13.780 -32.750 -6.581 607 HE2 HIS 74 HE2 HIS 74 -15.721 -31.711 -5.369 608 H HIS 75 H HIS 75 -12.819 -36.932 -0.723 609 HA HIS 75 HA HIS 75 -13.830 -38.473 -2.919 610 HB2 HIS 75 2HB HIS 75 -11.930 -37.241 -4.006 611 HB3 HIS 75 3HB HIS 75 -10.829 -38.002 -2.863 612 HD1 HIS 75 HD1 HIS 75 -12.877 -38.701 -5.913 613 HD2 HIS 75 HD2 HIS 75 -10.258 -40.705 -3.380 614 HE1 HIS 75 HE1 HIS 75 -12.300 -40.837 -7.095 615 HE2 HIS 75 HE2 HIS 75 -10.837 -42.094 -5.482 616 H HIS 76 H HIS 76 -14.278 -40.384 -1.993 617 HA HIS 76 HA HIS 76 -12.695 -41.264 0.325 618 HB2 HIS 76 2HB HIS 76 -15.363 -42.304 -0.663 619 HB3 HIS 76 3HB HIS 76 -14.574 -42.728 0.851 620 HD1 HIS 76 HD1 HIS 76 -17.044 -40.504 -0.517 621 HD2 HIS 76 HD2 HIS 76 -14.333 -40.339 2.627 622 HE1 HIS 76 HE1 HIS 76 -17.870 -38.674 0.985 623 HE2 HIS 76 HE2 HIS 76 -16.343 -38.750 2.982 624 H HIS 77 H HIS 77 -11.344 -42.986 0.213 625 HA HIS 77 HA HIS 77 -11.752 -44.953 -1.960 626 HB2 HIS 77 2HB HIS 77 -9.542 -43.718 -1.906 627 HB3 HIS 77 3HB HIS 77 -9.209 -44.512 -0.373 628 HD1 HIS 77 HD1 HIS 77 -9.646 -45.257 -4.039 629 HD2 HIS 77 HD2 HIS 77 -8.283 -47.127 -0.587 630 HE1 HIS 77 HE1 HIS 77 -8.552 -47.376 -4.811 631 HE2 HIS 77 HE2 HIS 77 -7.882 -48.565 -2.701 632 H HIS 78 H HIS 78 -12.482 -44.451 1.138 633 HA HIS 78 HA HIS 78 -12.445 -47.322 1.830 634 HB2 HIS 78 2HB HIS 78 -11.974 -44.909 3.567 635 HB3 HIS 78 3HB HIS 78 -12.646 -46.377 4.265 636 HD1 HIS 78 HD1 HIS 78 -10.706 -47.101 5.647 637 HD2 HIS 78 HD2 HIS 78 -9.634 -46.353 1.701 638 HE1 HIS 78 HE1 HIS 78 -8.337 -47.898 5.431 639 HE2 HIS 78 HE2 HIS 78 -7.758 -47.563 3.012
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