NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
457441 | 2kgt | 16219 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 2.046 0.994 -1.660 3 HB2 MET 1 1HB MET 1 3.595 -1.045 -0.136 4 HB3 MET 1 2HB MET 1 3.968 -0.836 -1.842 5 HG2 MET 1 1HG MET 1 5.442 0.627 -0.901 6 HG3 MET 1 2HG MET 1 4.073 1.694 -1.204 7 HE1 MET 1 3HE MET 1 4.435 3.469 2.037 8 HE2 MET 1 1HE MET 1 5.378 3.352 0.550 9 HE3 MET 1 2HE MET 1 3.618 3.438 0.473 10 H VAL 2 H VAL 2 0.780 0.523 -3.345 11 HA VAL 2 HA VAL 2 -0.320 -2.069 -3.812 12 HB VAL 2 HB VAL 2 -1.204 -1.140 -5.884 13 HG11 VAL 2 1HG1 VAL 2 -2.610 0.553 -4.949 14 HG12 VAL 2 2HG1 VAL 2 -2.276 -0.633 -3.686 15 HG13 VAL 2 3HG1 VAL 2 -1.428 0.914 -3.691 16 HG21 VAL 2 3HG2 VAL 2 0.458 1.297 -5.247 17 HG22 VAL 2 1HG2 VAL 2 0.758 0.156 -6.558 18 HG23 VAL 2 2HG2 VAL 2 -0.699 1.149 -6.569 19 H SER 3 H SER 3 0.260 -3.624 -5.268 20 HA SER 3 HA SER 3 2.869 -3.255 -6.587 21 HB2 SER 3 1HB SER 3 3.094 -5.735 -6.438 22 HB3 SER 3 2HB SER 3 2.992 -4.955 -4.860 23 HG SER 3 HG SER 3 1.396 -6.831 -5.912 24 H ARG 4 H ARG 4 2.677 -2.972 -8.701 25 HA ARG 4 HA ARG 4 0.337 -3.648 -10.166 26 HB2 ARG 4 1HB ARG 4 1.807 -1.759 -10.768 27 HB3 ARG 4 2HB ARG 4 3.082 -2.896 -11.185 28 HG2 ARG 4 1HG ARG 4 2.211 -2.456 -13.249 29 HG3 ARG 4 2HG ARG 4 1.263 -3.874 -12.794 30 HD2 ARG 4 1HD ARG 4 -0.645 -2.642 -12.410 31 HD3 ARG 4 2HD ARG 4 0.253 -1.158 -12.091 32 HE ARG 4 HE ARG 4 0.709 -1.752 -14.739 33 HH11 ARG 4 1HH1 ARG 4 -2.063 -1.100 -12.735 34 HH12 ARG 4 2HH1 ARG 4 -2.992 -0.403 -14.021 35 HH21 ARG 4 1HH2 ARG 4 -0.504 -0.837 -16.440 36 HH22 ARG 4 2HH2 ARG 4 -2.105 -0.255 -16.128 37 H ASP 5 H ASP 5 3.569 -5.075 -9.933 38 HA ASP 5 HA ASP 5 2.754 -7.274 -11.676 39 HB2 ASP 5 1HB ASP 5 5.456 -6.912 -10.387 40 HB3 ASP 5 2HB ASP 5 5.050 -7.866 -11.812 41 H GLN 6 H GLN 6 2.264 -9.258 -10.963 42 HA GLN 6 HA GLN 6 2.706 -9.837 -8.108 43 HB2 GLN 6 1HB GLN 6 0.309 -9.441 -8.774 44 HB3 GLN 6 2HB GLN 6 0.422 -10.873 -9.788 45 HG2 GLN 6 1HG GLN 6 0.662 -12.297 -7.944 46 HG3 GLN 6 2HG GLN 6 1.030 -10.961 -6.855 47 HE21 GLN 6 2HE2 GLN 6 -1.302 -13.085 -7.796 48 HE22 GLN 6 1HE2 GLN 6 -2.701 -12.243 -7.233 49 H ALA 7 H ALA 7 4.759 -10.548 -9.527 50 HA ALA 7 HA ALA 7 4.470 -13.171 -10.702 51 HB1 ALA 7 1HB ALA 7 7.149 -12.062 -10.066 52 HB2 ALA 7 2HB ALA 7 6.585 -12.910 -11.507 53 HB3 ALA 7 3HB ALA 7 6.167 -11.214 -11.262 54 H HIS 8 H HIS 8 5.283 -11.825 -7.620 55 HA HIS 8 HA HIS 8 5.836 -14.538 -6.617 56 HB2 HIS 8 1HB HIS 8 7.332 -12.000 -6.168 57 HB3 HIS 8 2HB HIS 8 7.192 -13.119 -4.816 58 HD1 HIS 8 HD1 HIS 8 8.352 -13.157 -8.436 59 HD2 HIS 8 HD2 HIS 8 9.063 -15.080 -4.823 60 HE1 HIS 8 HE1 HIS 8 10.287 -14.704 -8.867 61 H LEU 9 H LEU 9 4.319 -15.176 -5.248 62 HA LEU 9 HA LEU 9 2.500 -13.275 -4.061 63 HB2 LEU 9 1HB LEU 9 2.665 -16.230 -4.297 64 HB3 LEU 9 2HB LEU 9 1.710 -15.564 -2.974 65 HG LEU 9 HG LEU 9 0.350 -16.137 -4.944 66 HD11 LEU 9 1HD1 LEU 9 -0.900 -14.575 -3.956 67 HD12 LEU 9 2HD1 LEU 9 -0.334 -13.497 -5.231 68 HD13 LEU 9 3HD1 LEU 9 0.483 -13.520 -3.669 69 HD21 LEU 9 3HD2 LEU 9 0.651 -15.240 -7.034 70 HD22 LEU 9 1HD2 LEU 9 2.325 -15.389 -6.500 71 HD23 LEU 9 2HD2 LEU 9 1.512 -13.826 -6.425 72 H GLY 10 H GLY 10 2.019 -13.207 -1.774 73 HA2 GLY 10 1HA GLY 10 2.893 -14.166 0.437 74 HA3 GLY 10 2HA GLY 10 4.452 -13.618 -0.162 75 HA PRO 11 HA PRO 11 1.774 -9.669 0.728 76 HB2 PRO 11 1HB PRO 11 -0.443 -10.073 2.243 77 HB3 PRO 11 2HB PRO 11 -0.464 -10.124 0.476 78 HG2 PRO 11 1HG PRO 11 -0.360 -12.385 2.435 79 HG3 PRO 11 2HG PRO 11 -1.321 -12.233 0.953 80 HD2 PRO 11 1HD PRO 11 0.969 -13.674 1.062 81 HD3 PRO 11 2HD PRO 11 0.447 -12.820 -0.405 82 H LYS 12 H LYS 12 1.273 -8.446 2.818 83 HA LYS 12 HA LYS 12 3.218 -9.236 4.789 84 HB2 LYS 12 1HB LYS 12 1.544 -6.826 4.272 85 HB3 LYS 12 2HB LYS 12 2.145 -7.069 5.906 86 HG2 LYS 12 1HG LYS 12 3.624 -5.634 4.608 87 HG3 LYS 12 2HG LYS 12 4.429 -7.132 5.078 88 HD2 LYS 12 1HD LYS 12 3.970 -8.056 2.843 89 HD3 LYS 12 2HD LYS 12 3.217 -6.528 2.380 90 HE2 LYS 12 1HE LYS 12 5.990 -6.490 3.467 91 HE3 LYS 12 2HE LYS 12 5.739 -7.043 1.812 92 HZ1 LYS 12 3HZ LYS 12 5.884 -4.873 1.339 93 HZ2 LYS 12 1HZ LYS 12 5.533 -4.381 2.919 94 HZ3 LYS 12 2HZ LYS 12 4.278 -4.798 1.865 95 H TYR 13 H TYR 13 2.776 -9.405 7.071 96 HA TYR 13 HA TYR 13 0.044 -10.349 7.651 97 HB2 TYR 13 1HB TYR 13 2.690 -11.477 8.568 98 HB3 TYR 13 2HB TYR 13 1.156 -11.902 9.318 99 HD1 TYR 13 HD1 TYR 13 2.687 -11.735 5.909 100 HD2 TYR 13 HD2 TYR 13 0.099 -13.811 8.573 101 HE1 TYR 13 HE1 TYR 13 2.348 -13.481 4.209 102 HE2 TYR 13 HE2 TYR 13 -0.246 -15.563 6.881 103 HH TYR 13 HH TYR 13 1.559 -16.238 4.536 104 H VAL 14 H VAL 14 -0.871 -9.756 9.579 105 HA VAL 14 HA VAL 14 0.721 -8.181 11.463 106 HB VAL 14 HB VAL 14 -0.426 -6.645 9.798 107 HG11 VAL 14 1HG1 VAL 14 -2.732 -6.367 9.796 108 HG12 VAL 14 2HG1 VAL 14 -2.547 -8.120 9.882 109 HG13 VAL 14 3HG1 VAL 14 -2.934 -7.200 11.337 110 HG21 VAL 14 3HG2 VAL 14 0.321 -5.608 11.739 111 HG22 VAL 14 1HG2 VAL 14 -1.395 -5.202 11.711 112 HG23 VAL 14 2HG2 VAL 14 -0.811 -6.489 12.765 113 H GLY 15 H GLY 15 0.085 -8.359 13.570 114 HA2 GLY 15 1HA GLY 15 -2.136 -8.769 14.883 115 HA3 GLY 15 2HA GLY 15 -2.023 -10.333 14.090 116 H LEU 16 H LEU 16 -0.560 -8.196 16.451 117 HA LEU 16 HA LEU 16 0.897 -10.513 17.543 118 HB2 LEU 16 1HB LEU 16 1.732 -7.717 17.075 119 HB3 LEU 16 2HB LEU 16 2.257 -8.446 18.591 120 HG LEU 16 HG LEU 16 3.966 -8.624 16.852 121 HD11 LEU 16 1HD1 LEU 16 2.740 -11.288 17.550 122 HD12 LEU 16 2HD1 LEU 16 3.806 -10.345 18.590 123 HD13 LEU 16 3HD1 LEU 16 4.412 -10.999 17.068 124 HD21 LEU 16 3HD2 LEU 16 3.647 -9.535 14.788 125 HD22 LEU 16 1HD2 LEU 16 2.031 -8.883 15.061 126 HD23 LEU 16 2HD2 LEU 16 2.347 -10.597 15.333 127 H TRP 17 H TRP 17 -1.585 -8.355 18.033 128 HA TRP 17 HA TRP 17 -2.892 -7.808 19.811 129 HB2 TRP 17 1HB TRP 17 -2.689 -10.371 20.036 130 HB3 TRP 17 2HB TRP 17 -1.576 -10.030 21.357 131 HD1 TRP 17 HD1 TRP 17 -4.856 -8.112 20.657 132 HE1 TRP 17 HE1 TRP 17 -6.388 -8.371 22.710 133 HE3 TRP 17 HE3 TRP 17 -2.015 -11.372 23.384 134 HZ2 TRP 17 HZ2 TRP 17 -6.391 -9.772 25.160 135 HZ3 TRP 17 HZ3 TRP 17 -2.853 -12.122 25.572 136 HH2 TRP 17 HH2 TRP 17 -4.996 -11.337 26.440 137 H ASP 18 H ASP 18 -0.306 -6.545 19.559 138 HA ASP 18 HA ASP 18 1.140 -5.206 20.703 139 HB2 ASP 18 1HB ASP 18 -1.282 -4.440 21.408 140 HB3 ASP 18 2HB ASP 18 -0.793 -5.064 22.981 141 H PHE 19 H PHE 19 1.666 -7.906 21.045 142 HA PHE 19 HA PHE 19 2.316 -8.195 23.891 143 HB2 PHE 19 1HB PHE 19 1.138 -10.015 22.400 144 HB3 PHE 19 2HB PHE 19 2.784 -10.362 21.880 145 HD1 PHE 19 HD1 PHE 19 0.421 -10.463 24.664 146 HD2 PHE 19 HD2 PHE 19 4.396 -11.318 23.405 147 HE1 PHE 19 HE1 PHE 19 0.756 -11.848 26.670 148 HE2 PHE 19 HE2 PHE 19 4.737 -12.704 25.408 149 HZ PHE 19 HZ PHE 19 2.915 -12.972 27.044 150 H LYS 20 H LYS 20 4.305 -7.792 24.572 151 HA LYS 20 HA LYS 20 6.499 -7.833 22.604 152 HB2 LYS 20 1HB LYS 20 6.441 -6.220 25.154 153 HB3 LYS 20 2HB LYS 20 7.578 -6.080 23.820 154 HG2 LYS 20 1HG LYS 20 4.639 -5.480 23.590 155 HG3 LYS 20 2HG LYS 20 5.877 -4.268 23.929 156 HD2 LYS 20 1HD LYS 20 6.300 -6.029 21.580 157 HD3 LYS 20 2HD LYS 20 5.032 -4.807 21.457 158 HE2 LYS 20 1HE LYS 20 7.094 -3.384 22.547 159 HE3 LYS 20 2HE LYS 20 7.946 -4.510 21.492 160 HZ1 LYS 20 3HZ LYS 20 6.667 -2.176 20.757 161 HZ2 LYS 20 1HZ LYS 20 5.692 -3.426 20.165 162 HZ3 LYS 20 2HZ LYS 20 7.324 -3.347 19.729 163 H SER 21 H SER 21 7.654 -9.629 22.857 164 HA SER 21 HA SER 21 8.117 -10.643 25.579 165 HB2 SER 21 1HB SER 21 7.958 -11.968 22.898 166 HB3 SER 21 2HB SER 21 8.917 -12.718 24.173 167 HG SER 21 HG SER 21 7.105 -12.904 25.423 168 H ARG 22 H ARG 22 10.290 -11.892 25.715 169 HA ARG 22 HA ARG 22 12.386 -10.180 24.550 170 HB2 ARG 22 1HB ARG 22 12.332 -11.587 27.225 171 HB3 ARG 22 2HB ARG 22 13.730 -10.742 26.573 172 HG2 ARG 22 1HG ARG 22 12.789 -8.666 26.874 173 HG3 ARG 22 2HG ARG 22 11.139 -9.292 26.839 174 HD2 ARG 22 1HD ARG 22 11.138 -9.309 29.059 175 HD3 ARG 22 2HD ARG 22 12.418 -10.522 29.022 176 HE ARG 22 HE ARG 22 12.693 -7.724 29.636 177 HH11 ARG 22 1HH1 ARG 22 14.320 -10.597 28.531 178 HH12 ARG 22 2HH1 ARG 22 15.891 -10.052 29.018 179 HH21 ARG 22 1HH2 ARG 22 14.756 -6.996 30.281 180 HH22 ARG 22 2HH2 ARG 22 16.138 -8.004 30.014 181 H THR 23 H THR 23 11.174 -13.355 24.901 182 HA THR 23 HA THR 23 13.680 -14.666 24.264 183 HB THR 23 HB THR 23 11.937 -16.662 23.977 184 HG1 THR 23 HG1 THR 23 10.100 -16.334 25.184 185 HG21 THR 23 3HG2 THR 23 13.765 -16.331 25.704 186 HG22 THR 23 1HG2 THR 23 12.370 -17.274 26.226 187 HG23 THR 23 2HG2 THR 23 12.536 -15.591 26.729 188 H ASP 24 H ASP 24 13.830 -16.148 22.405 189 HA ASP 24 HA ASP 24 13.169 -14.801 19.986 190 HB2 ASP 24 1HB ASP 24 15.079 -16.614 20.700 191 HB3 ASP 24 2HB ASP 24 13.972 -17.628 19.777 192 H GLU 25 H GLU 25 11.852 -17.574 21.699 193 HA GLU 25 HA GLU 25 10.253 -18.704 19.756 194 HB2 GLU 25 1HB GLU 25 9.005 -19.695 21.493 195 HB3 GLU 25 2HB GLU 25 10.618 -19.475 22.157 196 HG2 GLU 25 1HG GLU 25 9.817 -17.388 23.244 197 HG3 GLU 25 2HG GLU 25 8.191 -17.779 22.687 198 H GLU 26 H GLU 26 9.807 -15.725 21.511 199 HA GLU 26 HA GLU 26 7.267 -15.301 20.077 200 HB2 GLU 26 1HB GLU 26 8.152 -14.475 22.822 201 HB3 GLU 26 2HB GLU 26 6.927 -13.543 21.971 202 HG2 GLU 26 1HG GLU 26 5.827 -15.913 21.654 203 HG3 GLU 26 2HG GLU 26 6.791 -16.294 23.080 204 H LEU 27 H LEU 27 6.826 -13.135 19.354 205 HA LEU 27 HA LEU 27 9.250 -11.790 18.459 206 HB2 LEU 27 1HB LEU 27 6.353 -11.578 17.698 207 HB3 LEU 27 2HB LEU 27 7.554 -10.418 17.134 208 HG LEU 27 HG LEU 27 8.774 -12.606 16.302 209 HD11 LEU 27 1HD1 LEU 27 7.200 -14.297 15.545 210 HD12 LEU 27 2HD1 LEU 27 5.873 -13.427 16.313 211 HD13 LEU 27 3HD1 LEU 27 7.148 -14.140 17.301 212 HD21 LEU 27 3HD2 LEU 27 6.497 -11.986 14.558 213 HD22 LEU 27 1HD2 LEU 27 8.231 -11.876 14.250 214 HD23 LEU 27 2HD2 LEU 27 7.406 -10.581 15.119 215 H SER 28 H SER 28 9.888 -9.800 19.085 216 HA SER 28 HA SER 28 8.461 -8.600 21.331 217 HB2 SER 28 1HB SER 28 10.498 -7.300 21.690 218 HB3 SER 28 2HB SER 28 10.893 -9.011 21.535 219 HG SER 28 HG SER 28 11.621 -6.901 19.960 220 H PHE 29 H PHE 29 6.740 -7.945 19.756 221 HA PHE 29 HA PHE 29 7.116 -5.180 19.066 222 HB2 PHE 29 1HB PHE 29 7.236 -7.265 17.008 223 HB3 PHE 29 2HB PHE 29 6.046 -6.011 16.672 224 HD1 PHE 29 HD1 PHE 29 6.802 -3.608 16.641 225 HD2 PHE 29 HD2 PHE 29 9.520 -6.883 16.682 226 HE1 PHE 29 HE1 PHE 29 8.589 -2.130 15.819 227 HE2 PHE 29 HE2 PHE 29 11.312 -5.411 15.861 228 HZ PHE 29 HZ PHE 29 10.848 -3.031 15.430 229 H ARG 30 H ARG 30 5.111 -4.128 18.453 230 HA ARG 30 HA ARG 30 2.809 -5.487 19.642 231 HB2 ARG 30 1HB ARG 30 1.817 -3.298 19.862 232 HB3 ARG 30 2HB ARG 30 3.462 -3.242 20.481 233 HG2 ARG 30 1HG ARG 30 4.231 -2.152 18.478 234 HG3 ARG 30 2HG ARG 30 2.639 -2.322 17.735 235 HD2 ARG 30 1HD ARG 30 2.928 -0.067 18.568 236 HD3 ARG 30 2HD ARG 30 1.686 -0.901 19.502 237 HE ARG 30 HE ARG 30 4.063 -1.262 20.866 238 HH11 ARG 30 1HH1 ARG 30 2.060 1.408 19.875 239 HH12 ARG 30 2HH1 ARG 30 2.517 2.415 21.209 240 HH21 ARG 30 1HH2 ARG 30 4.672 0.054 22.627 241 HH22 ARG 30 2HH2 ARG 30 4.003 1.644 22.773 242 H ALA 31 H ALA 31 0.642 -4.935 18.629 243 HA ALA 31 HA ALA 31 0.549 -5.956 16.013 244 HB1 ALA 31 1HB ALA 31 -1.604 -4.423 17.465 245 HB2 ALA 31 2HB ALA 31 -1.825 -5.505 16.090 246 HB3 ALA 31 3HB ALA 31 -1.291 -6.150 17.642 247 H GLY 32 H GLY 32 -0.622 -4.812 14.184 248 HA2 GLY 32 1HA GLY 32 -1.028 -2.873 12.905 249 HA3 GLY 32 2HA GLY 32 -0.093 -1.940 14.064 250 H ASP 33 H ASP 33 2.071 -4.027 13.947 251 HA ASP 33 HA ASP 33 3.501 -2.839 11.734 252 HB2 ASP 33 1HB ASP 33 4.199 -4.497 14.097 253 HB3 ASP 33 2HB ASP 33 5.254 -4.635 12.693 254 H VAL 34 H VAL 34 4.162 -3.828 9.880 255 HA VAL 34 HA VAL 34 2.819 -6.329 9.210 256 HB VAL 34 HB VAL 34 3.382 -5.852 6.907 257 HG11 VAL 34 1HG1 VAL 34 2.042 -3.931 6.568 258 HG12 VAL 34 2HG1 VAL 34 1.448 -4.691 8.046 259 HG13 VAL 34 3HG1 VAL 34 2.477 -3.262 8.140 260 HG21 VAL 34 3HG2 VAL 34 4.995 -3.575 8.045 261 HG22 VAL 34 1HG2 VAL 34 5.587 -4.955 7.120 262 HG23 VAL 34 2HG2 VAL 34 4.584 -3.735 6.337 263 H PHE 35 H PHE 35 3.865 -8.171 8.497 264 HA PHE 35 HA PHE 35 6.769 -8.226 8.407 265 HB2 PHE 35 1HB PHE 35 6.667 -10.313 9.956 266 HB3 PHE 35 2HB PHE 35 6.641 -8.709 10.683 267 HD1 PHE 35 HD1 PHE 35 4.637 -7.845 11.723 268 HD2 PHE 35 HD2 PHE 35 4.707 -11.722 9.968 269 HE1 PHE 35 HE1 PHE 35 2.538 -8.403 12.879 270 HE2 PHE 35 HE2 PHE 35 2.608 -12.286 11.121 271 HZ PHE 35 HZ PHE 35 1.520 -10.625 12.578 272 H HIS 36 H HIS 36 7.577 -10.402 7.723 273 HA HIS 36 HA HIS 36 5.585 -11.790 6.053 274 HB2 HIS 36 1HB HIS 36 7.198 -10.321 4.774 275 HB3 HIS 36 2HB HIS 36 8.487 -11.393 5.313 276 HD1 HIS 36 HD1 HIS 36 5.057 -12.242 3.898 277 HD2 HIS 36 HD2 HIS 36 9.092 -12.865 3.127 278 HE1 HIS 36 HE1 HIS 36 5.132 -13.791 1.919 279 H VAL 37 H VAL 37 5.979 -14.032 5.651 280 HA VAL 37 HA VAL 37 7.180 -15.358 7.928 281 HB VAL 37 HB VAL 37 6.243 -17.416 6.994 282 HG11 VAL 37 1HG1 VAL 37 4.728 -15.071 7.716 283 HG12 VAL 37 2HG1 VAL 37 3.800 -16.120 6.644 284 HG13 VAL 37 3HG1 VAL 37 4.461 -16.759 8.150 285 HG21 VAL 37 3HG2 VAL 37 4.808 -17.261 4.955 286 HG22 VAL 37 1HG2 VAL 37 5.467 -15.649 4.679 287 HG23 VAL 37 2HG2 VAL 37 6.532 -17.054 4.645 288 H ALA 38 H ALA 38 9.050 -16.461 7.955 289 HA ALA 38 HA ALA 38 10.687 -16.402 5.530 290 HB1 ALA 38 1HB ALA 38 11.525 -15.485 7.726 291 HB2 ALA 38 2HB ALA 38 11.594 -17.152 8.299 292 HB3 ALA 38 3HB ALA 38 12.581 -16.650 6.927 293 H ARG 39 H ARG 39 9.197 -18.622 7.785 294 HA ARG 39 HA ARG 39 9.765 -20.820 5.958 295 HB2 ARG 39 1HB ARG 39 10.796 -20.602 8.743 296 HB3 ARG 39 2HB ARG 39 10.221 -22.175 8.207 297 HG2 ARG 39 1HG ARG 39 12.216 -20.598 6.619 298 HG3 ARG 39 2HG ARG 39 12.700 -21.667 7.937 299 HD2 ARG 39 1HD ARG 39 11.910 -23.574 6.831 300 HD3 ARG 39 2HD ARG 39 10.933 -22.626 5.711 301 HE ARG 39 HE ARG 39 13.481 -21.848 5.174 302 HH11 ARG 39 1HH1 ARG 39 11.859 -24.924 5.325 303 HH12 ARG 39 2HH1 ARG 39 12.873 -25.665 4.132 304 HH21 ARG 39 1HH2 ARG 39 14.824 -22.812 3.602 305 HH22 ARG 39 2HH2 ARG 39 14.560 -24.463 3.153 306 H LYS 40 H LYS 40 8.121 -22.249 5.810 307 HA LYS 40 HA LYS 40 5.835 -21.835 7.616 308 HB2 LYS 40 1HB LYS 40 4.537 -22.952 5.724 309 HB3 LYS 40 2HB LYS 40 5.139 -21.327 5.423 310 HG2 LYS 40 1HG LYS 40 7.036 -22.273 4.187 311 HG3 LYS 40 2HG LYS 40 6.390 -23.892 4.461 312 HD2 LYS 40 1HD LYS 40 4.328 -23.230 3.267 313 HD3 LYS 40 2HD LYS 40 5.057 -21.658 2.931 314 HE2 LYS 40 1HE LYS 40 6.310 -24.267 2.104 315 HE3 LYS 40 2HE LYS 40 5.198 -23.366 1.075 316 HZ1 LYS 40 3HZ LYS 40 7.245 -22.609 0.388 317 HZ2 LYS 40 1HZ LYS 40 7.918 -22.645 1.940 318 HZ3 LYS 40 2HZ LYS 40 6.821 -21.427 1.522 319 H GLU 41 H GLU 41 5.818 -23.323 9.175 320 HA GLU 41 HA GLU 41 6.517 -26.095 8.474 321 HB2 GLU 41 1HB GLU 41 7.562 -24.542 10.470 322 HB3 GLU 41 2HB GLU 41 6.301 -25.418 11.326 323 HG2 GLU 41 1HG GLU 41 8.054 -26.841 11.611 324 HG3 GLU 41 2HG GLU 41 7.359 -27.493 10.128 325 H GLU 42 H GLU 42 5.279 -27.805 9.506 326 HA GLU 42 HA GLU 42 2.477 -27.341 9.306 327 HB2 GLU 42 1HB GLU 42 2.214 -29.675 9.715 328 HB3 GLU 42 2HB GLU 42 3.649 -29.486 8.717 329 HG2 GLU 42 1HG GLU 42 5.071 -29.770 10.655 330 HG3 GLU 42 2HG GLU 42 3.656 -29.875 11.701 331 H GLN 43 H GLN 43 4.751 -27.356 11.914 332 HA GLN 43 HA GLN 43 2.681 -27.542 13.947 333 HB2 GLN 43 1HB GLN 43 5.675 -27.191 14.150 334 HB3 GLN 43 2HB GLN 43 4.597 -27.313 15.534 335 HG2 GLN 43 1HG GLN 43 3.859 -29.543 14.422 336 HG3 GLN 43 2HG GLN 43 5.394 -29.405 13.566 337 HE21 GLN 43 2HE2 GLN 43 6.667 -30.867 14.484 338 HE22 GLN 43 1HE2 GLN 43 6.984 -31.000 16.177 339 H TRP 44 H TRP 44 5.406 -25.277 13.603 340 HA TRP 44 HA TRP 44 3.540 -23.093 14.265 341 HB2 TRP 44 1HB TRP 44 6.482 -23.217 14.954 342 HB3 TRP 44 2HB TRP 44 5.334 -21.975 15.445 343 HD1 TRP 44 HD1 TRP 44 2.981 -23.902 16.430 344 HE1 TRP 44 HE1 TRP 44 3.279 -25.224 18.618 345 HE3 TRP 44 HE3 TRP 44 8.083 -23.810 16.745 346 HZ2 TRP 44 HZ2 TRP 44 5.397 -26.110 20.261 347 HZ3 TRP 44 HZ3 TRP 44 9.167 -24.918 18.656 348 HH2 TRP 44 HH2 TRP 44 7.850 -26.043 20.377 349 H TRP 45 H TRP 45 4.073 -20.988 13.386 350 HA TRP 45 HA TRP 45 5.372 -21.225 10.761 351 HB2 TRP 45 1HB TRP 45 3.052 -19.705 11.783 352 HB3 TRP 45 2HB TRP 45 4.084 -18.841 10.647 353 HD1 TRP 45 HD1 TRP 45 4.601 -20.410 8.285 354 HE1 TRP 45 HE1 TRP 45 2.848 -21.682 6.894 355 HE3 TRP 45 HE3 TRP 45 0.908 -20.805 11.798 356 HZ2 TRP 45 HZ2 TRP 45 0.244 -22.715 7.240 357 HZ3 TRP 45 HZ3 TRP 45 -1.183 -21.950 11.188 358 HH2 TRP 45 HH2 TRP 45 -1.506 -22.884 8.955 359 H TRP 46 H TRP 46 7.035 -19.916 10.172 360 HA TRP 46 HA TRP 46 8.321 -18.418 12.311 361 HB2 TRP 46 1HB TRP 46 9.215 -19.376 9.602 362 HB3 TRP 46 2HB TRP 46 10.163 -18.207 10.516 363 HD1 TRP 46 HD1 TRP 46 8.693 -21.762 11.059 364 HE1 TRP 46 HE1 TRP 46 10.353 -23.086 12.515 365 HE3 TRP 46 HE3 TRP 46 12.137 -18.082 11.915 366 HZ2 TRP 46 HZ2 TRP 46 12.798 -22.630 13.850 367 HZ3 TRP 46 HZ3 TRP 46 14.107 -18.607 13.292 368 HH2 TRP 46 HH2 TRP 46 14.429 -20.835 14.239 369 H ALA 47 H ALA 47 8.465 -16.255 12.410 370 HA ALA 47 HA ALA 47 7.645 -14.687 10.059 371 HB1 ALA 47 1HB ALA 47 5.705 -14.523 11.300 372 HB2 ALA 47 2HB ALA 47 6.563 -14.542 12.841 373 HB3 ALA 47 3HB ALA 47 6.599 -13.098 11.830 374 H THR 48 H THR 48 8.554 -12.606 9.896 375 HA THR 48 HA THR 48 10.762 -12.037 11.758 376 HB THR 48 HB THR 48 10.899 -11.722 8.753 377 HG1 THR 48 HG1 THR 48 12.026 -13.632 10.535 378 HG21 THR 48 3HG2 THR 48 13.406 -11.633 10.186 379 HG22 THR 48 1HG2 THR 48 12.304 -10.382 10.761 380 HG23 THR 48 2HG2 THR 48 12.723 -10.469 9.050 381 H LEU 49 H LEU 49 10.425 -10.146 12.705 382 HA LEU 49 HA LEU 49 8.607 -8.210 11.596 383 HB2 LEU 49 1HB LEU 49 9.699 -8.816 14.151 384 HB3 LEU 49 2HB LEU 49 10.056 -7.130 13.784 385 HG LEU 49 HG LEU 49 7.949 -7.548 15.094 386 HD11 LEU 49 1HD1 LEU 49 8.542 -5.656 13.227 387 HD12 LEU 49 2HD1 LEU 49 7.136 -5.623 14.291 388 HD13 LEU 49 3HD1 LEU 49 6.986 -6.255 12.651 389 HD21 LEU 49 3HD2 LEU 49 6.497 -8.216 12.623 390 HD22 LEU 49 1HD2 LEU 49 6.221 -8.742 14.284 391 HD23 LEU 49 2HD2 LEU 49 7.469 -9.518 13.309 392 H LEU 50 H LEU 50 9.189 -6.793 10.100 393 HA LEU 50 HA LEU 50 11.988 -5.899 10.001 394 HB2 LEU 50 1HB LEU 50 10.195 -5.230 7.768 395 HB3 LEU 50 2HB LEU 50 11.858 -5.814 7.753 396 HG LEU 50 HG LEU 50 9.410 -7.528 8.173 397 HD11 LEU 50 1HD1 LEU 50 11.224 -7.449 5.776 398 HD12 LEU 50 2HD1 LEU 50 9.719 -6.536 5.875 399 HD13 LEU 50 3HD1 LEU 50 9.688 -8.297 5.955 400 HD21 LEU 50 3HD2 LEU 50 11.645 -8.197 9.244 401 HD22 LEU 50 1HD2 LEU 50 12.196 -8.474 7.592 402 HD23 LEU 50 2HD2 LEU 50 10.824 -9.382 8.228 403 H ASP 51 H ASP 51 12.436 -3.667 9.576 404 HA ASP 51 HA ASP 51 10.796 -1.900 11.098 405 HB2 ASP 51 1HB ASP 51 12.438 -0.155 10.288 406 HB3 ASP 51 2HB ASP 51 13.149 -1.518 11.149 407 H GLU 52 H GLU 52 10.462 0.415 10.023 408 HA GLU 52 HA GLU 52 8.333 0.155 8.232 409 HB2 GLU 52 1HB GLU 52 8.368 2.572 8.065 410 HB3 GLU 52 2HB GLU 52 8.666 2.093 9.730 411 HG2 GLU 52 1HG GLU 52 11.049 2.479 9.430 412 HG3 GLU 52 2HG GLU 52 10.771 2.929 7.748 413 H ALA 53 H ALA 53 11.745 0.471 7.687 414 HA ALA 53 HA ALA 53 11.510 1.212 4.916 415 HB1 ALA 53 1HB ALA 53 14.028 0.032 5.932 416 HB2 ALA 53 2HB ALA 53 13.765 1.461 4.932 417 HB3 ALA 53 3HB ALA 53 13.488 1.539 6.672 418 H GLY 54 H GLY 54 11.375 -1.704 6.697 419 HA2 GLY 54 1HA GLY 54 10.536 -3.677 5.577 420 HA3 GLY 54 2HA GLY 54 11.485 -3.221 4.170 421 H GLY 55 H GLY 55 13.634 -2.518 6.352 422 HA2 GLY 55 1HA GLY 55 15.145 -4.893 5.989 423 HA3 GLY 55 2HA GLY 55 15.574 -3.546 7.033 424 H ALA 56 H ALA 56 15.336 -6.678 7.182 425 HA ALA 56 HA ALA 56 13.527 -7.427 9.123 426 HB1 ALA 56 1HB ALA 56 16.313 -8.414 8.567 427 HB2 ALA 56 2HB ALA 56 15.248 -9.173 9.750 428 HB3 ALA 56 3HB ALA 56 14.780 -9.117 8.051 429 H VAL 57 H VAL 57 13.641 -7.663 11.390 430 HA VAL 57 HA VAL 57 15.756 -6.233 12.804 431 HB VAL 57 HB VAL 57 12.855 -5.585 13.324 432 HG11 VAL 57 1HG1 VAL 57 13.874 -5.060 15.290 433 HG12 VAL 57 2HG1 VAL 57 15.449 -4.807 14.536 434 HG13 VAL 57 3HG1 VAL 57 14.201 -3.567 14.411 435 HG21 VAL 57 3HG2 VAL 57 14.913 -4.102 11.701 436 HG22 VAL 57 1HG2 VAL 57 13.326 -4.673 11.184 437 HG23 VAL 57 2HG2 VAL 57 13.453 -3.344 12.337 438 H ALA 58 H ALA 58 12.521 -7.522 13.577 439 HA ALA 58 HA ALA 58 13.708 -9.017 15.796 440 HB1 ALA 58 1HB ALA 58 10.904 -9.332 15.779 441 HB2 ALA 58 2HB ALA 58 11.887 -8.372 16.885 442 HB3 ALA 58 3HB ALA 58 11.239 -7.638 15.418 443 H GLN 59 H GLN 59 13.315 -11.237 16.103 444 HA GLN 59 HA GLN 59 12.264 -12.692 13.777 445 HB2 GLN 59 1HB GLN 59 14.732 -13.552 15.284 446 HB3 GLN 59 2HB GLN 59 14.083 -14.244 13.803 447 HG2 GLN 59 1HG GLN 59 14.490 -11.876 12.825 448 HG3 GLN 59 2HG GLN 59 15.576 -11.693 14.202 449 HE21 GLN 59 2HE2 GLN 59 17.558 -12.531 14.082 450 HE22 GLN 59 1HE2 GLN 59 18.138 -13.536 12.802 451 H GLY 60 H GLY 60 11.258 -14.655 14.217 452 HA2 GLY 60 1HA GLY 60 11.307 -16.091 16.588 453 HA3 GLY 60 2HA GLY 60 10.055 -14.873 16.783 454 H TYR 61 H TYR 61 8.900 -17.070 17.015 455 HA TYR 61 HA TYR 61 7.575 -17.579 14.470 456 HB2 TYR 61 1HB TYR 61 7.700 -20.051 14.841 457 HB3 TYR 61 2HB TYR 61 9.250 -19.306 14.466 458 HD1 TYR 61 HD1 TYR 61 7.207 -20.791 17.153 459 HD2 TYR 61 HD2 TYR 61 11.045 -19.327 16.043 460 HE1 TYR 61 HE1 TYR 61 8.168 -21.782 19.189 461 HE2 TYR 61 HE2 TYR 61 12.016 -20.315 18.076 462 HH TYR 61 HH TYR 61 10.962 -22.564 19.713 463 H VAL 62 H VAL 62 5.434 -17.941 14.682 464 HA VAL 62 HA VAL 62 4.312 -18.821 17.207 465 HB VAL 62 HB VAL 62 2.667 -16.844 17.143 466 HG11 VAL 62 1HG1 VAL 62 4.588 -17.321 18.785 467 HG12 VAL 62 2HG1 VAL 62 5.451 -16.046 17.922 468 HG13 VAL 62 3HG1 VAL 62 3.924 -15.689 18.730 469 HG21 VAL 62 3HG2 VAL 62 4.780 -15.116 16.090 470 HG22 VAL 62 1HG2 VAL 62 4.048 -16.173 14.883 471 HG23 VAL 62 2HG2 VAL 62 3.038 -15.072 15.819 472 HA PRO 63 HA PRO 63 1.250 -20.609 14.620 473 HB2 PRO 63 1HB PRO 63 -0.927 -20.566 16.241 474 HB3 PRO 63 2HB PRO 63 0.439 -21.659 16.496 475 HG2 PRO 63 1HG PRO 63 -0.182 -19.059 17.842 476 HG3 PRO 63 2HG PRO 63 0.398 -20.576 18.553 477 HD2 PRO 63 1HD PRO 63 2.042 -18.488 18.036 478 HD3 PRO 63 2HD PRO 63 2.583 -20.176 17.938 479 H HIS 64 H HIS 64 -0.500 -20.145 13.275 480 HA HIS 64 HA HIS 64 -0.873 -17.485 12.519 481 HB2 HIS 64 1HB HIS 64 -2.563 -18.283 11.019 482 HB3 HIS 64 2HB HIS 64 -1.305 -19.513 11.099 483 HD1 HIS 64 HD1 HIS 64 -2.158 -21.019 13.619 484 HD2 HIS 64 HD2 HIS 64 -4.800 -19.781 10.661 485 HE1 HIS 64 HE1 HIS 64 -4.161 -22.526 13.832 486 H ASN 65 H ASN 65 -2.391 -19.340 14.990 487 HA ASN 65 HA ASN 65 -4.845 -18.014 15.226 488 HB2 ASN 65 1HB ASN 65 -3.879 -20.132 16.453 489 HB3 ASN 65 2HB ASN 65 -3.380 -18.953 17.663 490 HD21 ASN 65 2HD2 ASN 65 -6.116 -20.338 15.979 491 HD22 ASN 65 1HD2 ASN 65 -7.305 -19.896 17.152 492 H TYR 66 H TYR 66 -1.660 -16.962 15.913 493 HA TYR 66 HA TYR 66 -2.536 -14.844 17.712 494 HB2 TYR 66 1HB TYR 66 -0.257 -16.278 17.690 495 HB3 TYR 66 2HB TYR 66 0.257 -14.906 16.714 496 HD1 TYR 66 HD2 TYR 66 -1.755 -15.398 19.834 497 HD2 TYR 66 HD1 TYR 66 1.390 -13.290 17.893 498 HE1 TYR 66 HE2 TYR 66 -1.374 -14.091 21.883 499 HE2 TYR 66 HE1 TYR 66 1.780 -11.979 19.936 500 HH TYR 66 HH TYR 66 0.381 -12.801 22.943 501 H LEU 67 H LEU 67 -0.591 -14.984 14.721 502 HA LEU 67 HA LEU 67 -1.485 -12.263 14.089 503 HB2 LEU 67 1HB LEU 67 0.352 -12.250 12.461 504 HB3 LEU 67 2HB LEU 67 0.905 -12.563 14.105 505 HG LEU 67 HG LEU 67 0.755 -15.075 13.318 506 HD11 LEU 67 1HD1 LEU 67 0.155 -15.266 11.179 507 HD12 LEU 67 2HD1 LEU 67 1.774 -14.679 10.797 508 HD13 LEU 67 3HD1 LEU 67 0.420 -13.551 10.861 509 HD21 LEU 67 3HD2 LEU 67 2.779 -13.197 13.650 510 HD22 LEU 67 1HD2 LEU 67 3.122 -13.959 12.096 511 HD23 LEU 67 2HD2 LEU 67 2.963 -14.949 13.547 512 H ALA 68 H ALA 68 -2.558 -11.766 12.221 513 HA ALA 68 HA ALA 68 -3.498 -14.060 10.627 514 HB1 ALA 68 1HB ALA 68 -5.017 -12.294 12.046 515 HB2 ALA 68 2HB ALA 68 -5.051 -11.588 10.429 516 HB3 ALA 68 3HB ALA 68 -5.585 -13.250 10.677 517 H GLU 69 H GLU 69 -3.549 -13.911 8.391 518 HA GLU 69 HA GLU 69 -1.546 -12.280 7.205 519 HB2 GLU 69 1HB GLU 69 -2.051 -13.388 5.170 520 HB3 GLU 69 2HB GLU 69 -2.257 -14.585 6.441 521 HG2 GLU 69 1HG GLU 69 -4.691 -14.178 6.381 522 HG3 GLU 69 2HG GLU 69 -4.442 -13.068 5.034 523 H ARG 70 H ARG 70 -1.751 -10.598 5.712 524 HA ARG 70 HA ARG 70 -4.383 -9.271 5.688 525 HB2 ARG 70 1HB ARG 70 -1.653 -8.208 6.207 526 HB3 ARG 70 2HB ARG 70 -2.766 -7.183 5.312 527 HG2 ARG 70 1HG ARG 70 -3.363 -8.399 8.000 528 HG3 ARG 70 2HG ARG 70 -2.750 -6.763 7.751 529 HD2 ARG 70 1HD ARG 70 -5.370 -7.892 6.779 530 HD3 ARG 70 2HD ARG 70 -5.139 -6.678 8.037 531 HE ARG 70 HE ARG 70 -5.116 -6.256 5.195 532 HH11 ARG 70 1HH1 ARG 70 -4.033 -5.053 8.277 533 HH12 ARG 70 2HH1 ARG 70 -3.854 -3.421 7.724 534 HH21 ARG 70 1HH2 ARG 70 -4.886 -4.110 4.455 535 HH22 ARG 70 2HH2 ARG 70 -4.341 -2.886 5.550 536 H GLU 71 H GLU 71 -4.841 -10.376 3.701 537 HA GLU 71 HA GLU 71 -3.256 -10.290 1.404 538 HB2 GLU 71 1HB GLU 71 -6.259 -10.435 1.700 539 HB3 GLU 71 2HB GLU 71 -5.416 -10.654 0.173 540 HG2 GLU 71 1HG GLU 71 -4.661 -12.330 2.518 541 HG3 GLU 71 2HG GLU 71 -6.118 -12.712 1.602 542 H THR 72 H THR 72 -3.102 -8.897 -0.315 543 HA THR 72 HA THR 72 -3.338 -6.158 0.154 544 HB THR 72 HB THR 72 -3.429 -7.178 -2.656 545 HG1 THR 72 HG1 THR 72 -1.546 -8.165 -2.480 546 HG21 THR 72 3HG2 THR 72 -3.080 -4.715 -1.668 547 HG22 THR 72 1HG2 THR 72 -2.321 -5.257 -3.164 548 HG23 THR 72 2HG2 THR 72 -1.403 -5.259 -1.658 Start of MODEL 2 1 H1 MET 1 H MET 1 14.662 1.832 -14.386 2 HA MET 1 HA MET 1 15.579 3.113 -12.124 3 HB2 MET 1 1HB MET 1 13.699 3.818 -13.688 4 HB3 MET 1 2HB MET 1 12.649 2.767 -12.748 5 HG2 MET 1 1HG MET 1 12.763 4.105 -10.872 6 HG3 MET 1 2HG MET 1 14.271 4.863 -11.379 7 HE1 MET 1 3HE MET 1 13.406 7.638 -11.185 8 HE2 MET 1 1HE MET 1 11.645 7.739 -11.130 9 HE3 MET 1 2HE MET 1 12.492 6.553 -10.136 10 H VAL 2 H VAL 2 12.875 0.780 -12.164 11 HA VAL 2 HA VAL 2 13.380 0.250 -9.322 12 HB VAL 2 HB VAL 2 11.089 0.893 -9.885 13 HG11 VAL 2 1HG1 VAL 2 10.325 -1.564 -11.226 14 HG12 VAL 2 2HG1 VAL 2 9.968 0.112 -11.647 15 HG13 VAL 2 3HG1 VAL 2 11.485 -0.624 -12.165 16 HG21 VAL 2 3HG2 VAL 2 11.632 -0.781 -8.066 17 HG22 VAL 2 1HG2 VAL 2 9.973 -0.799 -8.665 18 HG23 VAL 2 2HG2 VAL 2 11.114 -2.036 -9.192 19 H SER 3 H SER 3 13.713 -1.814 -8.537 20 HA SER 3 HA SER 3 15.183 -3.592 -10.084 21 HB2 SER 3 1HB SER 3 15.362 -3.664 -7.687 22 HB3 SER 3 2HB SER 3 13.649 -4.048 -7.517 23 HG SER 3 HG SER 3 15.505 -5.711 -8.870 24 H ARG 4 H ARG 4 14.671 -5.827 -10.667 25 HA ARG 4 HA ARG 4 12.194 -5.949 -12.126 26 HB2 ARG 4 1HB ARG 4 14.559 -6.884 -12.766 27 HB3 ARG 4 2HB ARG 4 14.046 -8.284 -11.835 28 HG2 ARG 4 1HG ARG 4 11.901 -8.060 -13.368 29 HG3 ARG 4 2HG ARG 4 13.060 -7.267 -14.437 30 HD2 ARG 4 1HD ARG 4 14.405 -9.516 -13.551 31 HD3 ARG 4 2HD ARG 4 12.750 -10.079 -13.781 32 HE ARG 4 HE ARG 4 13.092 -9.954 -16.028 33 HH11 ARG 4 1HH1 ARG 4 15.387 -7.867 -14.446 34 HH12 ARG 4 2HH1 ARG 4 16.216 -7.452 -15.910 35 HH21 ARG 4 1HH2 ARG 4 14.176 -9.415 -17.962 36 HH22 ARG 4 2HH2 ARG 4 15.526 -8.332 -17.909 37 H ASP 5 H ASP 5 13.676 -7.878 -9.525 38 HA ASP 5 HA ASP 5 11.029 -9.022 -8.954 39 HB2 ASP 5 1HB ASP 5 13.211 -10.434 -9.391 40 HB3 ASP 5 2HB ASP 5 13.540 -10.059 -7.702 41 H GLN 6 H GLN 6 10.762 -9.570 -6.533 42 HA GLN 6 HA GLN 6 11.868 -7.477 -4.814 43 HB2 GLN 6 1HB GLN 6 9.519 -7.158 -3.867 44 HB3 GLN 6 2HB GLN 6 9.851 -6.435 -5.435 45 HG2 GLN 6 1HG GLN 6 8.676 -9.166 -5.333 46 HG3 GLN 6 2HG GLN 6 7.646 -7.775 -4.997 47 HE21 GLN 6 2HE2 GLN 6 6.756 -8.997 -7.025 48 HE22 GLN 6 1HE2 GLN 6 7.230 -8.308 -8.537 49 H ALA 7 H ALA 7 11.147 -7.862 -2.473 50 HA ALA 7 HA ALA 7 11.742 -10.618 -1.843 51 HB1 ALA 7 1HB ALA 7 12.190 -8.149 -0.602 52 HB2 ALA 7 2HB ALA 7 11.100 -9.034 0.466 53 HB3 ALA 7 3HB ALA 7 12.641 -9.748 -0.009 54 H HIS 8 H HIS 8 9.023 -8.393 -1.478 55 HA HIS 8 HA HIS 8 7.385 -10.612 -0.458 56 HB2 HIS 8 1HB HIS 8 6.674 -7.678 -0.429 57 HB3 HIS 8 2HB HIS 8 5.894 -8.982 0.463 58 HD1 HIS 8 HD1 HIS 8 7.218 -6.364 1.712 59 HD2 HIS 8 HD2 HIS 8 8.884 -10.169 1.603 60 HE1 HIS 8 HE1 HIS 8 8.887 -6.422 3.592 61 H LEU 9 H LEU 9 7.112 -11.540 -2.552 62 HA LEU 9 HA LEU 9 6.157 -10.223 -4.812 63 HB2 LEU 9 1HB LEU 9 6.070 -13.037 -3.840 64 HB3 LEU 9 2HB LEU 9 5.103 -12.596 -5.246 65 HG LEU 9 HG LEU 9 7.303 -13.602 -5.803 66 HD11 LEU 9 1HD1 LEU 9 5.980 -11.655 -7.077 67 HD12 LEU 9 2HD1 LEU 9 7.480 -12.359 -7.681 68 HD13 LEU 9 3HD1 LEU 9 7.515 -10.831 -6.802 69 HD21 LEU 9 3HD2 LEU 9 8.427 -11.041 -4.675 70 HD22 LEU 9 1HD2 LEU 9 9.329 -12.330 -5.471 71 HD23 LEU 9 2HD2 LEU 9 8.557 -12.627 -3.914 72 H GLY 10 H GLY 10 4.372 -11.771 -2.165 73 HA2 GLY 10 1HA GLY 10 1.857 -10.774 -3.306 74 HA3 GLY 10 2HA GLY 10 2.003 -11.978 -2.034 75 HA PRO 11 HA PRO 11 0.829 -7.934 -0.090 76 HB2 PRO 11 1HB PRO 11 -1.128 -8.984 1.471 77 HB3 PRO 11 2HB PRO 11 -1.408 -8.448 -0.190 78 HG2 PRO 11 1HG PRO 11 -0.953 -11.216 0.856 79 HG3 PRO 11 2HG PRO 11 -2.126 -10.654 -0.349 80 HD2 PRO 11 1HD PRO 11 0.194 -11.872 -1.031 81 HD3 PRO 11 2HD PRO 11 -0.561 -10.623 -2.041 82 H LYS 12 H LYS 12 0.604 -7.517 2.339 83 HA LYS 12 HA LYS 12 2.682 -9.063 3.708 84 HB2 LYS 12 1HB LYS 12 1.831 -6.264 3.718 85 HB3 LYS 12 2HB LYS 12 2.088 -6.913 5.332 86 HG2 LYS 12 1HG LYS 12 4.101 -5.858 4.483 87 HG3 LYS 12 2HG LYS 12 4.347 -7.591 4.709 88 HD2 LYS 12 1HD LYS 12 5.330 -6.856 2.609 89 HD3 LYS 12 2HD LYS 12 3.974 -7.946 2.308 90 HE2 LYS 12 1HE LYS 12 2.530 -6.031 1.855 91 HE3 LYS 12 2HE LYS 12 3.869 -4.933 2.184 92 HZ1 LYS 12 3HZ LYS 12 4.706 -5.248 0.158 93 HZ2 LYS 12 1HZ LYS 12 3.209 -5.925 -0.248 94 HZ3 LYS 12 2HZ LYS 12 4.493 -6.925 0.213 95 H TYR 13 H TYR 13 2.408 -9.450 6.049 96 HA TYR 13 HA TYR 13 -0.402 -10.072 6.686 97 HB2 TYR 13 1HB TYR 13 2.138 -11.542 7.387 98 HB3 TYR 13 2HB TYR 13 0.600 -11.867 8.179 99 HD1 TYR 13 HD1 TYR 13 1.937 -11.524 4.699 100 HD2 TYR 13 HD2 TYR 13 -0.631 -13.631 7.358 101 HE1 TYR 13 HE1 TYR 13 1.339 -13.073 2.885 102 HE2 TYR 13 HE2 TYR 13 -1.235 -15.186 5.552 103 HH TYR 13 HH TYR 13 -0.910 -14.650 2.479 104 H VAL 14 H VAL 14 -1.198 -9.558 8.687 105 HA VAL 14 HA VAL 14 0.607 -8.301 10.623 106 HB VAL 14 HB VAL 14 -0.584 -6.589 9.097 107 HG11 VAL 14 1HG1 VAL 14 -2.816 -6.228 9.281 108 HG12 VAL 14 2HG1 VAL 14 -2.812 -7.950 9.663 109 HG13 VAL 14 3HG1 VAL 14 -2.876 -6.758 10.962 110 HG21 VAL 14 3HG2 VAL 14 0.187 -6.569 11.809 111 HG22 VAL 14 1HG2 VAL 14 0.070 -5.201 10.702 112 HG23 VAL 14 2HG2 VAL 14 -1.314 -5.650 11.698 113 H GLY 15 H GLY 15 -0.067 -8.420 12.770 114 HA2 GLY 15 1HA GLY 15 -2.396 -8.925 13.960 115 HA3 GLY 15 2HA GLY 15 -2.036 -10.505 13.280 116 H LEU 16 H LEU 16 -0.260 -7.970 15.058 117 HA LEU 16 HA LEU 16 0.601 -10.043 16.957 118 HB2 LEU 16 1HB LEU 16 2.265 -8.124 15.399 119 HB3 LEU 16 2HB LEU 16 2.770 -8.554 17.032 120 HG LEU 16 HG LEU 16 3.935 -9.908 15.396 121 HD11 LEU 16 1HD1 LEU 16 2.623 -10.837 17.622 122 HD12 LEU 16 2HD1 LEU 16 3.862 -11.704 16.716 123 HD13 LEU 16 3HD1 LEU 16 2.156 -11.995 16.376 124 HD21 LEU 16 3HD2 LEU 16 2.986 -10.906 13.625 125 HD22 LEU 16 1HD2 LEU 16 1.656 -9.784 13.918 126 HD23 LEU 16 2HD2 LEU 16 1.576 -11.430 14.548 127 H TRP 17 H TRP 17 -1.236 -9.076 18.143 128 HA TRP 17 HA TRP 17 -1.512 -6.494 18.989 129 HB2 TRP 17 1HB TRP 17 -2.832 -8.708 19.582 130 HB3 TRP 17 2HB TRP 17 -1.835 -8.650 21.033 131 HD1 TRP 17 HD1 TRP 17 -2.851 -7.325 22.968 132 HE1 TRP 17 HE1 TRP 17 -4.654 -5.505 23.215 133 HE3 TRP 17 HE3 TRP 17 -3.900 -6.547 18.025 134 HZ2 TRP 17 HZ2 TRP 17 -6.303 -3.945 21.536 135 HZ3 TRP 17 HZ3 TRP 17 -5.603 -4.873 17.430 136 HH2 TRP 17 HH2 TRP 17 -6.779 -3.601 19.151 137 H ASP 18 H ASP 18 -0.999 -5.506 21.109 138 HA ASP 18 HA ASP 18 1.693 -5.154 21.511 139 HB2 ASP 18 1HB ASP 18 0.971 -4.403 23.883 140 HB3 ASP 18 2HB ASP 18 0.320 -3.538 22.494 141 H PHE 19 H PHE 19 3.044 -6.839 21.771 142 HA PHE 19 HA PHE 19 2.866 -8.326 24.263 143 HB2 PHE 19 1HB PHE 19 1.720 -9.568 22.242 144 HB3 PHE 19 2HB PHE 19 3.383 -9.940 21.798 145 HD1 PHE 19 HD2 PHE 19 4.851 -11.037 23.601 146 HD2 PHE 19 HD1 PHE 19 0.601 -10.880 23.786 147 HE1 PHE 19 HE2 PHE 19 4.854 -12.916 25.190 148 HE2 PHE 19 HE1 PHE 19 0.597 -12.759 25.375 149 HZ PHE 19 HZ PHE 19 2.726 -13.780 26.078 150 H LYS 20 H LYS 20 4.792 -8.206 25.185 151 HA LYS 20 HA LYS 20 7.181 -8.142 23.459 152 HB2 LYS 20 1HB LYS 20 6.924 -6.817 26.160 153 HB3 LYS 20 2HB LYS 20 8.254 -6.662 25.019 154 HG2 LYS 20 1HG LYS 20 5.441 -5.695 24.547 155 HG3 LYS 20 2HG LYS 20 6.801 -4.687 25.049 156 HD2 LYS 20 1HD LYS 20 7.964 -5.618 22.934 157 HD3 LYS 20 2HD LYS 20 6.333 -6.066 22.429 158 HE2 LYS 20 1HE LYS 20 7.102 -3.283 23.284 159 HE3 LYS 20 2HE LYS 20 7.155 -3.830 21.609 160 HZ1 LYS 20 3HZ LYS 20 5.014 -2.712 22.782 161 HZ2 LYS 20 1HZ LYS 20 4.660 -4.357 22.961 162 HZ3 LYS 20 2HZ LYS 20 4.943 -3.716 21.422 163 H SER 21 H SER 21 7.873 -10.212 23.576 164 HA SER 21 HA SER 21 7.891 -11.627 26.109 165 HB2 SER 21 1HB SER 21 8.783 -13.517 24.762 166 HB3 SER 21 2HB SER 21 7.272 -12.877 24.115 167 HG SER 21 HG SER 21 9.842 -12.790 23.063 168 H ARG 22 H ARG 22 10.094 -13.105 26.166 169 HA ARG 22 HA ARG 22 12.341 -11.202 26.106 170 HB2 ARG 22 1HB ARG 22 13.116 -11.958 28.226 171 HB3 ARG 22 2HB ARG 22 11.405 -11.596 28.414 172 HG2 ARG 22 1HG ARG 22 11.563 -14.304 27.685 173 HG3 ARG 22 2HG ARG 22 12.803 -14.037 28.912 174 HD2 ARG 22 1HD ARG 22 11.242 -13.302 30.493 175 HD3 ARG 22 2HD ARG 22 10.007 -13.014 29.269 176 HE ARG 22 HE ARG 22 9.418 -15.231 29.378 177 HH11 ARG 22 1HH1 ARG 22 12.448 -14.746 31.023 178 HH12 ARG 22 2HH1 ARG 22 12.481 -16.337 31.707 179 HH21 ARG 22 1HH2 ARG 22 9.449 -17.329 30.273 180 HH22 ARG 22 2HH2 ARG 22 10.775 -17.806 31.279 181 H THR 23 H THR 23 11.371 -13.505 24.370 182 HA THR 23 HA THR 23 13.989 -14.760 24.096 183 HB THR 23 HB THR 23 12.457 -16.943 23.612 184 HG1 THR 23 HG1 THR 23 11.245 -15.534 25.776 185 HG21 THR 23 3HG2 THR 23 14.504 -16.388 25.222 186 HG22 THR 23 1HG2 THR 23 13.582 -17.883 25.362 187 HG23 THR 23 2HG2 THR 23 13.244 -16.534 26.447 188 H ASP 24 H ASP 24 14.083 -16.099 22.051 189 HA ASP 24 HA ASP 24 13.151 -14.517 19.876 190 HB2 ASP 24 1HB ASP 24 14.700 -17.071 20.126 191 HB3 ASP 24 2HB ASP 24 14.076 -16.582 18.553 192 H GLU 25 H GLU 25 12.014 -17.400 21.459 193 HA GLU 25 HA GLU 25 10.410 -18.544 19.524 194 HB2 GLU 25 1HB GLU 25 9.246 -19.623 21.265 195 HB3 GLU 25 2HB GLU 25 10.863 -19.354 21.900 196 HG2 GLU 25 1HG GLU 25 10.021 -17.344 23.071 197 HG3 GLU 25 2HG GLU 25 8.398 -17.743 22.512 198 H GLU 26 H GLU 26 9.924 -15.612 21.337 199 HA GLU 26 HA GLU 26 7.383 -15.202 19.903 200 HB2 GLU 26 1HB GLU 26 8.072 -14.770 22.766 201 HB3 GLU 26 2HB GLU 26 7.003 -13.601 22.002 202 HG2 GLU 26 1HG GLU 26 5.857 -15.914 21.209 203 HG3 GLU 26 2HG GLU 26 6.516 -16.391 22.773 204 H LEU 27 H LEU 27 6.856 -12.965 19.436 205 HA LEU 27 HA LEU 27 9.260 -11.437 18.794 206 HB2 LEU 27 1HB LEU 27 6.393 -11.126 17.921 207 HB3 LEU 27 2HB LEU 27 7.711 -10.075 17.408 208 HG LEU 27 HG LEU 27 7.322 -12.989 16.745 209 HD11 LEU 27 1HD1 LEU 27 5.993 -11.491 15.399 210 HD12 LEU 27 2HD1 LEU 27 7.324 -12.128 14.434 211 HD13 LEU 27 3HD1 LEU 27 7.403 -10.485 15.069 212 HD21 LEU 27 3HD2 LEU 27 9.680 -12.576 17.211 213 HD22 LEU 27 1HD2 LEU 27 9.665 -11.199 16.108 214 HD23 LEU 27 2HD2 LEU 27 9.411 -12.830 15.485 215 H SER 28 H SER 28 9.356 -9.142 19.178 216 HA SER 28 HA SER 28 7.781 -8.306 21.526 217 HB2 SER 28 1HB SER 28 9.792 -6.910 22.135 218 HB3 SER 28 2HB SER 28 10.045 -8.652 22.243 219 HG SER 28 HG SER 28 11.250 -8.602 20.420 220 H PHE 29 H PHE 29 6.253 -7.411 19.994 221 HA PHE 29 HA PHE 29 6.834 -4.656 19.419 222 HB2 PHE 29 1HB PHE 29 7.399 -6.447 17.385 223 HB3 PHE 29 2HB PHE 29 5.785 -5.871 16.981 224 HD1 PHE 29 HD2 PHE 29 9.188 -4.675 17.869 225 HD2 PHE 29 HD1 PHE 29 5.506 -3.838 15.904 226 HE1 PHE 29 HE2 PHE 29 10.163 -2.623 16.924 227 HE2 PHE 29 HE1 PHE 29 6.475 -1.785 14.955 228 HZ PHE 29 HZ PHE 29 8.806 -1.174 15.466 229 H ARG 30 H ARG 30 4.899 -3.521 18.531 230 HA ARG 30 HA ARG 30 2.503 -4.628 19.775 231 HB2 ARG 30 1HB ARG 30 1.620 -2.420 19.749 232 HB3 ARG 30 2HB ARG 30 3.303 -2.279 20.238 233 HG2 ARG 30 1HG ARG 30 3.909 -1.607 17.968 234 HG3 ARG 30 2HG ARG 30 2.218 -1.746 17.481 235 HD2 ARG 30 1HD ARG 30 1.610 -0.012 19.093 236 HD3 ARG 30 2HD ARG 30 3.296 0.120 19.591 237 HE ARG 30 HE ARG 30 3.067 0.530 16.805 238 HH11 ARG 30 1HH1 ARG 30 2.408 2.073 19.856 239 HH12 ARG 30 2HH1 ARG 30 2.554 3.679 19.223 240 HH21 ARG 30 1HH2 ARG 30 3.262 2.639 15.961 241 HH22 ARG 30 2HH2 ARG 30 3.039 4.000 17.007 242 H ALA 31 H ALA 31 0.393 -4.224 18.638 243 HA ALA 31 HA ALA 31 0.358 -5.563 16.166 244 HB1 ALA 31 1HB ALA 31 -1.667 -5.850 17.094 245 HB2 ALA 31 2HB ALA 31 -1.619 -4.297 17.931 246 HB3 ALA 31 3HB ALA 31 -2.072 -4.367 16.228 247 H GLY 32 H GLY 32 -0.760 -4.652 14.181 248 HA2 GLY 32 1HA GLY 32 -1.128 -2.884 12.664 249 HA3 GLY 32 2HA GLY 32 -0.215 -1.817 13.722 250 H ASP 33 H ASP 33 1.938 -3.912 13.913 251 HA ASP 33 HA ASP 33 3.492 -2.959 11.700 252 HB2 ASP 33 1HB ASP 33 4.042 -4.003 14.241 253 HB3 ASP 33 2HB ASP 33 4.700 -5.182 13.109 254 H VAL 34 H VAL 34 4.268 -4.091 9.946 255 HA VAL 34 HA VAL 34 2.712 -6.440 9.202 256 HB VAL 34 HB VAL 34 3.768 -6.133 6.963 257 HG11 VAL 34 1HG1 VAL 34 2.643 -3.475 7.631 258 HG12 VAL 34 2HG1 VAL 34 2.210 -4.600 6.342 259 HG13 VAL 34 3HG1 VAL 34 1.648 -4.886 7.989 260 HG21 VAL 34 3HG2 VAL 34 5.146 -4.287 6.467 261 HG22 VAL 34 1HG2 VAL 34 4.822 -3.526 8.025 262 HG23 VAL 34 2HG2 VAL 34 5.813 -4.983 7.944 263 H PHE 35 H PHE 35 3.587 -8.420 8.647 264 HA PHE 35 HA PHE 35 6.458 -8.802 9.132 265 HB2 PHE 35 1HB PHE 35 4.320 -10.663 10.185 266 HB3 PHE 35 2HB PHE 35 6.056 -10.782 10.455 267 HD1 PHE 35 HD2 PHE 35 2.980 -9.039 11.370 268 HD2 PHE 35 HD1 PHE 35 7.174 -9.334 12.032 269 HE1 PHE 35 HE2 PHE 35 2.748 -7.691 13.415 270 HE2 PHE 35 HE1 PHE 35 6.949 -7.987 14.079 271 HZ PHE 35 HZ PHE 35 4.734 -7.163 14.773 272 H HIS 36 H HIS 36 7.301 -10.821 8.229 273 HA HIS 36 HA HIS 36 5.668 -11.888 6.029 274 HB2 HIS 36 1HB HIS 36 7.252 -10.216 5.134 275 HB3 HIS 36 2HB HIS 36 8.590 -11.125 5.830 276 HD1 HIS 36 HD1 HIS 36 9.767 -12.337 4.039 277 HD2 HIS 36 HD2 HIS 36 5.661 -12.283 3.410 278 HE1 HIS 36 HE1 HIS 36 9.392 -13.662 1.935 279 H VAL 37 H VAL 37 5.708 -14.047 5.816 280 HA VAL 37 HA VAL 37 7.136 -15.595 7.787 281 HB VAL 37 HB VAL 37 5.999 -17.545 6.733 282 HG11 VAL 37 1HG1 VAL 37 4.980 -16.269 8.581 283 HG12 VAL 37 2HG1 VAL 37 4.151 -15.255 7.398 284 HG13 VAL 37 3HG1 VAL 37 3.776 -16.975 7.503 285 HG21 VAL 37 3HG2 VAL 37 4.063 -16.162 5.181 286 HG22 VAL 37 1HG2 VAL 37 5.663 -15.709 4.596 287 HG23 VAL 37 2HG2 VAL 37 5.199 -17.409 4.666 288 H ALA 38 H ALA 38 9.036 -16.563 7.526 289 HA ALA 38 HA ALA 38 10.254 -16.578 4.866 290 HB1 ALA 38 1HB ALA 38 12.322 -16.588 5.889 291 HB2 ALA 38 2HB ALA 38 11.355 -15.659 7.036 292 HB3 ALA 38 3HB ALA 38 11.712 -17.357 7.355 293 H ARG 39 H ARG 39 9.033 -18.716 7.314 294 HA ARG 39 HA ARG 39 9.368 -20.970 5.514 295 HB2 ARG 39 1HB ARG 39 10.833 -20.668 8.083 296 HB3 ARG 39 2HB ARG 39 10.161 -22.253 7.724 297 HG2 ARG 39 1HG ARG 39 11.959 -20.743 5.845 298 HG3 ARG 39 2HG ARG 39 12.533 -21.924 7.023 299 HD2 ARG 39 1HD ARG 39 11.560 -23.699 5.916 300 HD3 ARG 39 2HD ARG 39 10.358 -22.680 5.125 301 HE ARG 39 HE ARG 39 12.927 -21.991 4.203 302 HH11 ARG 39 1HH1 ARG 39 10.577 -24.552 3.993 303 HH12 ARG 39 2HH1 ARG 39 11.093 -25.073 2.424 304 HH21 ARG 39 1HH2 ARG 39 13.615 -22.669 2.137 305 HH22 ARG 39 2HH2 ARG 39 12.822 -24.002 1.369 306 H LYS 40 H LYS 40 7.843 -22.563 5.798 307 HA LYS 40 HA LYS 40 5.847 -22.073 7.912 308 HB2 LYS 40 1HB LYS 40 4.228 -23.160 6.261 309 HB3 LYS 40 2HB LYS 40 4.768 -21.528 5.892 310 HG2 LYS 40 1HG LYS 40 6.316 -23.777 4.738 311 HG3 LYS 40 2HG LYS 40 4.714 -23.449 4.072 312 HD2 LYS 40 1HD LYS 40 5.585 -20.973 4.033 313 HD3 LYS 40 2HD LYS 40 7.169 -21.752 4.052 314 HE2 LYS 40 1HE LYS 40 6.539 -21.359 1.772 315 HE3 LYS 40 2HE LYS 40 6.467 -23.093 2.082 316 HZ1 LYS 40 3HZ LYS 40 4.551 -22.134 0.810 317 HZ2 LYS 40 1HZ LYS 40 4.086 -21.335 2.227 318 HZ3 LYS 40 2HZ LYS 40 4.125 -23.025 2.183 319 H GLU 41 H GLU 41 6.014 -23.599 9.416 320 HA GLU 41 HA GLU 41 6.784 -26.315 8.622 321 HB2 GLU 41 1HB GLU 41 7.777 -24.799 10.618 322 HB3 GLU 41 2HB GLU 41 6.493 -25.626 11.488 323 HG2 GLU 41 1HG GLU 41 7.477 -27.679 11.276 324 HG3 GLU 41 2HG GLU 41 8.341 -27.235 9.805 325 H GLU 42 H GLU 42 5.733 -28.074 10.024 326 HA GLU 42 HA GLU 42 2.918 -27.974 9.552 327 HB2 GLU 42 1HB GLU 42 2.870 -30.243 10.239 328 HB3 GLU 42 2HB GLU 42 4.388 -30.028 9.379 329 HG2 GLU 42 1HG GLU 42 5.578 -29.859 11.494 330 HG3 GLU 42 2HG GLU 42 4.060 -30.043 12.371 331 H GLN 43 H GLN 43 4.973 -27.410 12.288 332 HA GLN 43 HA GLN 43 2.705 -27.431 14.131 333 HB2 GLN 43 1HB GLN 43 5.669 -27.468 14.434 334 HB3 GLN 43 2HB GLN 43 4.718 -26.764 15.735 335 HG2 GLN 43 1HG GLN 43 3.692 -29.333 14.829 336 HG3 GLN 43 2HG GLN 43 5.341 -29.415 15.446 337 HE21 GLN 43 2HE2 GLN 43 5.009 -30.391 17.357 338 HE22 GLN 43 1HE2 GLN 43 4.031 -29.750 18.628 339 H TRP 44 H TRP 44 5.507 -25.254 13.866 340 HA TRP 44 HA TRP 44 3.636 -22.986 14.082 341 HB2 TRP 44 1HB TRP 44 6.511 -22.986 15.006 342 HB3 TRP 44 2HB TRP 44 5.271 -21.782 15.343 343 HD1 TRP 44 HD1 TRP 44 7.020 -24.335 17.106 344 HE1 TRP 44 HE1 TRP 44 5.661 -25.289 19.073 345 HE3 TRP 44 HE3 TRP 44 2.388 -22.607 15.805 346 HZ2 TRP 44 HZ2 TRP 44 2.980 -25.307 19.955 347 HZ3 TRP 44 HZ3 TRP 44 0.479 -23.137 17.264 348 HH2 TRP 44 HH2 TRP 44 0.771 -24.460 19.295 349 H TRP 45 H TRP 45 4.291 -20.999 13.029 350 HA TRP 45 HA TRP 45 5.812 -21.542 10.574 351 HB2 TRP 45 1HB TRP 45 3.779 -19.380 11.167 352 HB3 TRP 45 2HB TRP 45 4.622 -19.587 9.634 353 HD1 TRP 45 HD1 TRP 45 4.238 -22.914 9.848 354 HE1 TRP 45 HE1 TRP 45 1.950 -23.839 9.117 355 HE3 TRP 45 HE3 TRP 45 1.474 -18.630 10.223 356 HZ2 TRP 45 HZ2 TRP 45 -0.679 -22.880 8.748 357 HZ3 TRP 45 HZ3 TRP 45 -0.921 -18.719 9.662 358 HH2 TRP 45 HH2 TRP 45 -1.972 -20.801 8.940 359 H TRP 46 H TRP 46 7.542 -20.316 9.990 360 HA TRP 46 HA TRP 46 8.777 -18.737 12.066 361 HB2 TRP 46 1HB TRP 46 9.686 -19.463 9.274 362 HB3 TRP 46 2HB TRP 46 10.659 -18.553 10.427 363 HD1 TRP 46 HD1 TRP 46 9.254 -22.074 9.825 364 HE1 TRP 46 HE1 TRP 46 10.591 -23.741 11.261 365 HE3 TRP 46 HE3 TRP 46 12.070 -18.757 12.509 366 HZ2 TRP 46 HZ2 TRP 46 12.576 -23.660 13.266 367 HZ3 TRP 46 HZ3 TRP 46 13.664 -19.633 14.166 368 HH2 TRP 46 HH2 TRP 46 13.909 -22.034 14.536 369 H ALA 47 H ALA 47 8.803 -16.584 12.227 370 HA ALA 47 HA ALA 47 8.038 -14.979 9.886 371 HB1 ALA 47 1HB ALA 47 6.963 -13.518 11.897 372 HB2 ALA 47 2HB ALA 47 6.059 -14.659 10.901 373 HB3 ALA 47 3HB ALA 47 6.670 -15.157 12.479 374 H THR 48 H THR 48 8.799 -12.797 9.912 375 HA THR 48 HA THR 48 10.942 -12.259 11.855 376 HB THR 48 HB THR 48 11.195 -11.594 8.923 377 HG1 THR 48 HG1 THR 48 11.882 -13.566 8.600 378 HG21 THR 48 3HG2 THR 48 13.549 -11.956 10.663 379 HG22 THR 48 1HG2 THR 48 12.538 -10.559 11.029 380 HG23 THR 48 2HG2 THR 48 13.233 -10.746 9.419 381 H LEU 49 H LEU 49 11.018 -10.221 12.628 382 HA LEU 49 HA LEU 49 8.948 -8.374 11.716 383 HB2 LEU 49 1HB LEU 49 8.849 -8.615 14.024 384 HB3 LEU 49 2HB LEU 49 10.604 -8.620 14.195 385 HG LEU 49 HG LEU 49 10.617 -6.197 13.670 386 HD11 LEU 49 1HD1 LEU 49 8.793 -5.028 13.092 387 HD12 LEU 49 2HD1 LEU 49 7.750 -5.901 14.214 388 HD13 LEU 49 3HD1 LEU 49 8.138 -6.603 12.643 389 HD21 LEU 49 3HD2 LEU 49 10.422 -5.730 15.851 390 HD22 LEU 49 1HD2 LEU 49 10.063 -7.447 16.035 391 HD23 LEU 49 2HD2 LEU 49 8.747 -6.279 15.918 392 H LEU 50 H LEU 50 9.429 -6.795 10.354 393 HA LEU 50 HA LEU 50 12.211 -5.838 10.230 394 HB2 LEU 50 1HB LEU 50 10.406 -5.222 7.991 395 HB3 LEU 50 2HB LEU 50 12.096 -5.721 7.982 396 HG LEU 50 HG LEU 50 9.733 -7.562 8.356 397 HD11 LEU 50 1HD1 LEU 50 10.055 -8.275 6.130 398 HD12 LEU 50 2HD1 LEU 50 11.560 -7.369 5.976 399 HD13 LEU 50 3HD1 LEU 50 10.021 -6.512 6.075 400 HD21 LEU 50 3HD2 LEU 50 12.548 -8.388 7.760 401 HD22 LEU 50 1HD2 LEU 50 11.224 -9.337 8.435 402 HD23 LEU 50 2HD2 LEU 50 12.021 -8.112 9.421 403 H ASP 51 H ASP 51 12.472 -3.549 9.596 404 HA ASP 51 HA ASP 51 10.782 -1.883 11.218 405 HB2 ASP 51 1HB ASP 51 13.284 -1.471 9.627 406 HB3 ASP 51 2HB ASP 51 12.349 -0.068 10.137 407 H GLU 52 H GLU 52 10.345 0.421 10.125 408 HA GLU 52 HA GLU 52 8.204 0.052 8.367 409 HB2 GLU 52 1HB GLU 52 8.127 2.463 8.182 410 HB3 GLU 52 2HB GLU 52 8.486 2.019 9.845 411 HG2 GLU 52 1HG GLU 52 10.884 2.445 9.386 412 HG3 GLU 52 2HG GLU 52 10.433 3.023 7.783 413 H ALA 53 H ALA 53 11.594 0.560 7.773 414 HA ALA 53 HA ALA 53 11.265 1.211 4.986 415 HB1 ALA 53 1HB ALA 53 13.435 1.767 5.034 416 HB2 ALA 53 2HB ALA 53 13.271 1.617 6.785 417 HB3 ALA 53 3HB ALA 53 13.902 0.268 5.839 418 H GLY 54 H GLY 54 11.389 -1.653 6.850 419 HA2 GLY 54 1HA GLY 54 10.684 -3.712 5.779 420 HA3 GLY 54 2HA GLY 54 11.611 -3.229 4.366 421 H GLY 55 H GLY 55 13.668 -2.313 6.573 422 HA2 GLY 55 1HA GLY 55 15.374 -4.556 6.271 423 HA3 GLY 55 2HA GLY 55 15.661 -3.176 7.321 424 H ALA 56 H ALA 56 15.543 -6.367 7.405 425 HA ALA 56 HA ALA 56 13.786 -7.176 9.369 426 HB1 ALA 56 1HB ALA 56 16.524 -8.106 8.602 427 HB2 ALA 56 2HB ALA 56 15.679 -8.838 9.967 428 HB3 ALA 56 3HB ALA 56 14.965 -8.893 8.355 429 H VAL 57 H VAL 57 14.056 -7.558 11.643 430 HA VAL 57 HA VAL 57 16.090 -5.942 12.992 431 HB VAL 57 HB VAL 57 13.171 -5.752 13.738 432 HG11 VAL 57 1HG1 VAL 57 14.818 -3.606 14.662 433 HG12 VAL 57 2HG1 VAL 57 13.879 -4.770 15.599 434 HG13 VAL 57 3HG1 VAL 57 15.540 -5.143 15.135 435 HG21 VAL 57 3HG2 VAL 57 14.875 -3.774 12.225 436 HG22 VAL 57 1HG2 VAL 57 13.522 -4.698 11.573 437 HG23 VAL 57 2HG2 VAL 57 13.240 -3.479 12.816 438 H ALA 58 H ALA 58 13.149 -7.762 13.874 439 HA ALA 58 HA ALA 58 14.800 -9.324 15.750 440 HB1 ALA 58 1HB ALA 58 13.042 -9.420 17.252 441 HB2 ALA 58 2HB ALA 58 12.890 -7.790 16.595 442 HB3 ALA 58 3HB ALA 58 11.832 -9.076 16.016 443 H GLN 59 H GLN 59 13.999 -11.553 16.167 444 HA GLN 59 HA GLN 59 12.677 -12.741 13.828 445 HB2 GLN 59 1HB GLN 59 15.099 -13.942 15.173 446 HB3 GLN 59 2HB GLN 59 14.280 -14.534 13.734 447 HG2 GLN 59 1HG GLN 59 14.934 -12.446 12.568 448 HG3 GLN 59 2HG GLN 59 15.864 -11.990 13.995 449 HE21 GLN 59 2HE2 GLN 59 16.362 -12.935 11.057 450 HE22 GLN 59 1HE2 GLN 59 17.693 -14.020 11.240 451 H GLY 60 H GLY 60 11.095 -14.123 14.330 452 HA2 GLY 60 1HA GLY 60 11.140 -15.904 16.521 453 HA3 GLY 60 2HA GLY 60 10.197 -14.485 16.950 454 H TYR 61 H TYR 61 9.311 -17.242 16.650 455 HA TYR 61 HA TYR 61 7.517 -16.997 14.332 456 HB2 TYR 61 1HB TYR 61 7.127 -19.476 14.748 457 HB3 TYR 61 2HB TYR 61 8.730 -19.028 14.175 458 HD1 TYR 61 HD1 TYR 61 6.872 -19.663 17.351 459 HD2 TYR 61 HD2 TYR 61 10.591 -19.842 15.290 460 HE1 TYR 61 HE1 TYR 61 7.876 -20.820 19.275 461 HE2 TYR 61 HE2 TYR 61 11.605 -21.000 17.209 462 HH TYR 61 HH TYR 61 10.372 -22.573 19.270 463 H VAL 62 H VAL 62 5.294 -17.767 14.617 464 HA VAL 62 HA VAL 62 4.251 -17.847 17.321 465 HB VAL 62 HB VAL 62 2.521 -16.061 16.713 466 HG11 VAL 62 1HG1 VAL 62 5.369 -15.162 17.134 467 HG12 VAL 62 2HG1 VAL 62 3.906 -14.281 17.577 468 HG13 VAL 62 3HG1 VAL 62 4.310 -15.790 18.396 469 HG21 VAL 62 3HG2 VAL 62 4.480 -14.676 15.042 470 HG22 VAL 62 1HG2 VAL 62 3.779 -16.106 14.283 471 HG23 VAL 62 2HG2 VAL 62 2.731 -14.811 14.864 472 HA PRO 63 HA PRO 63 1.250 -20.493 15.516 473 HB2 PRO 63 1HB PRO 63 -0.897 -20.046 17.115 474 HB3 PRO 63 2HB PRO 63 0.529 -20.943 17.650 475 HG2 PRO 63 1HG PRO 63 -0.206 -18.083 18.145 476 HG3 PRO 63 2HG PRO 63 0.467 -19.277 19.271 477 HD2 PRO 63 1HD PRO 63 1.988 -17.381 18.078 478 HD3 PRO 63 2HD PRO 63 2.616 -18.990 18.490 479 H HIS 64 H HIS 64 -0.452 -20.530 14.074 480 HA HIS 64 HA HIS 64 -1.017 -18.227 12.608 481 HB2 HIS 64 1HB HIS 64 -2.625 -19.542 11.405 482 HB3 HIS 64 2HB HIS 64 -1.269 -20.592 11.807 483 HD1 HIS 64 HD1 HIS 64 -1.702 -22.161 13.995 484 HD2 HIS 64 HD2 HIS 64 -5.046 -20.509 12.165 485 HE1 HIS 64 HE1 HIS 64 -3.655 -23.522 14.808 486 H ASN 65 H ASN 65 -2.447 -19.441 15.499 487 HA ASN 65 HA ASN 65 -4.950 -18.097 15.285 488 HB2 ASN 65 1HB ASN 65 -4.432 -20.071 16.790 489 HB3 ASN 65 2HB ASN 65 -3.579 -18.943 17.840 490 HD21 ASN 65 2HD2 ASN 65 -6.683 -19.079 16.117 491 HD22 ASN 65 1HD2 ASN 65 -7.640 -18.554 17.456 492 H TYR 66 H TYR 66 -1.779 -17.084 16.045 493 HA TYR 66 HA TYR 66 -2.552 -14.805 17.635 494 HB2 TYR 66 1HB TYR 66 -0.277 -16.172 17.571 495 HB3 TYR 66 2HB TYR 66 0.131 -14.981 16.342 496 HD1 TYR 66 HD1 TYR 66 0.335 -12.610 16.926 497 HD2 TYR 66 HD2 TYR 66 -0.489 -15.549 19.891 498 HE1 TYR 66 HE1 TYR 66 0.940 -10.999 18.683 499 HE2 TYR 66 HE2 TYR 66 0.112 -13.945 21.656 500 HH TYR 66 HH TYR 66 0.510 -10.621 21.062 501 H LEU 67 H LEU 67 -0.769 -15.018 14.552 502 HA LEU 67 HA LEU 67 -1.804 -12.390 13.814 503 HB2 LEU 67 1HB LEU 67 -0.043 -12.198 12.353 504 HB3 LEU 67 2HB LEU 67 0.658 -13.190 13.631 505 HG LEU 67 HG LEU 67 -0.432 -14.288 11.042 506 HD11 LEU 67 1HD1 LEU 67 2.380 -13.563 11.836 507 HD12 LEU 67 2HD1 LEU 67 1.442 -12.922 10.487 508 HD13 LEU 67 3HD1 LEU 67 1.977 -14.603 10.470 509 HD21 LEU 67 3HD2 LEU 67 0.797 -15.448 13.477 510 HD22 LEU 67 1HD2 LEU 67 1.266 -16.136 11.923 511 HD23 LEU 67 2HD2 LEU 67 -0.432 -16.111 12.398 512 H ALA 68 H ALA 68 -2.565 -12.038 11.588 513 HA ALA 68 HA ALA 68 -3.720 -14.392 10.292 514 HB1 ALA 68 1HB ALA 68 -5.351 -13.286 11.949 515 HB2 ALA 68 2HB ALA 68 -5.458 -11.996 10.751 516 HB3 ALA 68 3HB ALA 68 -5.921 -13.642 10.319 517 H GLU 69 H GLU 69 -4.111 -14.151 8.088 518 HA GLU 69 HA GLU 69 -2.460 -12.292 6.736 519 HB2 GLU 69 1HB GLU 69 -3.207 -13.305 4.723 520 HB3 GLU 69 2HB GLU 69 -3.125 -14.589 5.921 521 HG2 GLU 69 1HG GLU 69 -5.639 -14.062 6.281 522 HG3 GLU 69 2HG GLU 69 -5.519 -13.296 4.698 523 H ARG 70 H ARG 70 -3.145 -10.721 5.127 524 HA ARG 70 HA ARG 70 -5.785 -9.543 5.665 525 HB2 ARG 70 1HB ARG 70 -3.096 -8.245 5.819 526 HB3 ARG 70 2HB ARG 70 -4.467 -7.294 5.263 527 HG2 ARG 70 1HG ARG 70 -5.516 -8.405 7.487 528 HG3 ARG 70 2HG ARG 70 -3.817 -8.287 7.949 529 HD2 ARG 70 1HD ARG 70 -5.042 -6.286 8.606 530 HD3 ARG 70 2HD ARG 70 -3.825 -5.910 7.388 531 HE ARG 70 HE ARG 70 -5.501 -5.317 5.938 532 HH11 ARG 70 1HH1 ARG 70 -6.863 -7.032 8.643 533 HH12 ARG 70 2HH1 ARG 70 -8.503 -6.683 8.206 534 HH21 ARG 70 1HH2 ARG 70 -7.655 -4.850 5.351 535 HH22 ARG 70 2HH2 ARG 70 -8.952 -5.443 6.333 536 H GLU 71 H GLU 71 -4.633 -11.207 3.472 537 HA GLU 71 HA GLU 71 -4.182 -9.620 1.188 538 HB2 GLU 71 1HB GLU 71 -4.564 -11.656 -0.092 539 HB3 GLU 71 2HB GLU 71 -3.569 -11.997 1.316 540 HG2 GLU 71 1HG GLU 71 -5.007 -13.751 1.422 541 HG3 GLU 71 2HG GLU 71 -5.891 -12.583 2.402 542 H THR 72 H THR 72 -5.701 -9.869 -0.794 543 HA THR 72 HA THR 72 -8.310 -8.840 0.035 544 HB THR 72 HB THR 72 -7.162 -8.860 -2.758 545 HG1 THR 72 HG1 THR 72 -5.838 -7.390 -2.016 546 HG21 THR 72 3HG2 THR 72 -8.791 -7.187 -3.239 547 HG22 THR 72 1HG2 THR 72 -9.230 -7.036 -1.538 548 HG23 THR 72 2HG2 THR 72 -9.636 -8.505 -2.427 Start of MODEL 3 1 H1 MET 1 H MET 1 0.510 -11.285 -9.715 2 HA MET 1 HA MET 1 0.435 -9.587 -7.414 3 HB2 MET 1 1HB MET 1 2.062 -12.114 -7.360 4 HB3 MET 1 2HB MET 1 2.564 -10.696 -6.449 5 HG2 MET 1 1HG MET 1 0.595 -10.744 -5.127 6 HG3 MET 1 2HG MET 1 -0.144 -11.962 -6.164 7 HE1 MET 1 3HE MET 1 0.803 -15.195 -4.791 8 HE2 MET 1 1HE MET 1 -0.555 -14.128 -4.432 9 HE3 MET 1 2HE MET 1 0.064 -14.244 -6.080 10 H VAL 2 H VAL 2 2.692 -8.565 -7.077 11 HA VAL 2 HA VAL 2 3.807 -8.024 -9.745 12 HB VAL 2 HB VAL 2 4.674 -5.916 -8.734 13 HG11 VAL 2 1HG1 VAL 2 2.010 -6.584 -9.460 14 HG12 VAL 2 2HG1 VAL 2 1.947 -5.394 -8.159 15 HG13 VAL 2 3HG1 VAL 2 2.846 -5.041 -9.635 16 HG21 VAL 2 3HG2 VAL 2 2.847 -6.465 -6.415 17 HG22 VAL 2 1HG2 VAL 2 4.559 -6.887 -6.372 18 HG23 VAL 2 2HG2 VAL 2 4.070 -5.206 -6.582 19 H SER 3 H SER 3 6.157 -7.327 -9.701 20 HA SER 3 HA SER 3 7.672 -9.039 -7.840 21 HB2 SER 3 1HB SER 3 7.968 -8.636 -10.801 22 HB3 SER 3 2HB SER 3 9.363 -9.099 -9.827 23 HG SER 3 HG SER 3 6.899 -10.498 -10.012 24 H ARG 4 H ARG 4 6.984 -6.207 -7.590 25 HA ARG 4 HA ARG 4 9.131 -4.535 -8.279 26 HB2 ARG 4 1HB ARG 4 6.745 -3.985 -7.352 27 HB3 ARG 4 2HB ARG 4 7.535 -4.086 -5.784 28 HG2 ARG 4 1HG ARG 4 8.886 -2.245 -6.204 29 HG3 ARG 4 2HG ARG 4 8.654 -2.353 -7.950 30 HD2 ARG 4 1HD ARG 4 6.545 -1.584 -5.935 31 HD3 ARG 4 2HD ARG 4 7.424 -0.468 -6.980 32 HE ARG 4 HE ARG 4 6.178 -2.427 -8.562 33 HH11 ARG 4 1HH1 ARG 4 5.391 0.309 -6.558 34 HH12 ARG 4 2HH1 ARG 4 3.942 0.693 -7.426 35 HH21 ARG 4 1HH2 ARG 4 4.271 -1.932 -9.712 36 HH22 ARG 4 2HH2 ARG 4 3.305 -0.583 -9.219 37 H ASP 5 H ASP 5 8.493 -6.437 -5.362 38 HA ASP 5 HA ASP 5 11.323 -6.107 -4.629 39 HB2 ASP 5 1HB ASP 5 9.542 -4.786 -3.226 40 HB3 ASP 5 2HB ASP 5 9.232 -6.360 -2.498 41 H GLN 6 H GLN 6 12.349 -7.980 -4.435 42 HA GLN 6 HA GLN 6 11.029 -10.461 -4.752 43 HB2 GLN 6 1HB GLN 6 13.374 -10.000 -5.454 44 HB3 GLN 6 2HB GLN 6 13.840 -9.967 -3.758 45 HG2 GLN 6 1HG GLN 6 13.369 -12.263 -3.483 46 HG3 GLN 6 2HG GLN 6 12.533 -12.349 -5.032 47 HE21 GLN 6 2HE2 GLN 6 13.656 -13.437 -6.463 48 HE22 GLN 6 1HE2 GLN 6 15.373 -13.406 -6.658 49 H ALA 7 H ALA 7 12.145 -8.673 -1.956 50 HA ALA 7 HA ALA 7 11.847 -10.825 -0.099 51 HB1 ALA 7 1HB ALA 7 12.162 -9.127 1.619 52 HB2 ALA 7 2HB ALA 7 13.358 -8.951 0.333 53 HB3 ALA 7 3HB ALA 7 11.978 -7.855 0.410 54 H HIS 8 H HIS 8 9.881 -7.982 -0.928 55 HA HIS 8 HA HIS 8 7.698 -9.003 0.726 56 HB2 HIS 8 1HB HIS 8 8.170 -6.373 -0.671 57 HB3 HIS 8 2HB HIS 8 6.614 -6.790 0.042 58 HD1 HIS 8 HD1 HIS 8 8.809 -4.531 0.929 59 HD2 HIS 8 HD2 HIS 8 7.848 -8.085 2.854 60 HE1 HIS 8 HE1 HIS 8 9.468 -4.193 3.332 61 H LEU 9 H LEU 9 8.292 -10.552 -1.519 62 HA LEU 9 HA LEU 9 6.900 -10.011 -3.849 63 HB2 LEU 9 1HB LEU 9 8.393 -12.069 -2.974 64 HB3 LEU 9 2HB LEU 9 6.791 -12.796 -2.872 65 HG LEU 9 HG LEU 9 7.904 -13.348 -4.975 66 HD11 LEU 9 1HD1 LEU 9 6.045 -13.095 -6.297 67 HD12 LEU 9 2HD1 LEU 9 5.737 -11.450 -5.743 68 HD13 LEU 9 3HD1 LEU 9 5.359 -12.818 -4.696 69 HD21 LEU 9 3HD2 LEU 9 7.700 -10.479 -5.806 70 HD22 LEU 9 1HD2 LEU 9 8.642 -11.786 -6.523 71 HD23 LEU 9 2HD2 LEU 9 9.142 -11.079 -4.986 72 H GLY 10 H GLY 10 5.724 -11.256 -0.777 73 HA2 GLY 10 1HA GLY 10 2.989 -11.262 -1.893 74 HA3 GLY 10 2HA GLY 10 3.510 -12.266 -0.548 75 HA PRO 11 HA PRO 11 1.413 -8.408 1.056 76 HB2 PRO 11 1HB PRO 11 -0.419 -9.711 2.576 77 HB3 PRO 11 2HB PRO 11 -0.693 -9.308 0.878 78 HG2 PRO 11 1HG PRO 11 0.170 -11.904 2.092 79 HG3 PRO 11 2HG PRO 11 -1.012 -11.610 0.804 80 HD2 PRO 11 1HD PRO 11 1.517 -12.435 0.299 81 HD3 PRO 11 2HD PRO 11 0.617 -11.383 -0.812 82 H LYS 12 H LYS 12 0.680 -8.276 3.586 83 HA LYS 12 HA LYS 12 2.987 -9.306 5.104 84 HB2 LYS 12 1HB LYS 12 1.437 -6.744 5.525 85 HB3 LYS 12 2HB LYS 12 2.756 -7.309 6.541 86 HG2 LYS 12 1HG LYS 12 4.343 -6.685 5.067 87 HG3 LYS 12 2HG LYS 12 3.349 -7.079 3.663 88 HD2 LYS 12 1HD LYS 12 2.784 -4.711 5.430 89 HD3 LYS 12 2HD LYS 12 3.871 -4.620 4.042 90 HE2 LYS 12 1HE LYS 12 2.102 -5.232 2.543 91 HE3 LYS 12 2HE LYS 12 1.013 -5.567 3.889 92 HZ1 LYS 12 3HZ LYS 12 2.000 -2.930 4.089 93 HZ2 LYS 12 1HZ LYS 12 0.400 -3.454 3.917 94 HZ3 LYS 12 2HZ LYS 12 1.348 -3.166 2.546 95 H TYR 13 H TYR 13 2.562 -9.469 7.495 96 HA TYR 13 HA TYR 13 -0.158 -10.510 7.947 97 HB2 TYR 13 1HB TYR 13 2.517 -11.458 8.952 98 HB3 TYR 13 2HB TYR 13 1.018 -11.912 9.753 99 HD1 TYR 13 HD1 TYR 13 2.908 -12.158 6.585 100 HD2 TYR 13 HD2 TYR 13 -0.395 -13.594 8.850 101 HE1 TYR 13 HE1 TYR 13 2.618 -14.001 4.983 102 HE2 TYR 13 HE2 TYR 13 -0.693 -15.442 7.255 103 HH TYR 13 HH TYR 13 -0.066 -15.771 4.683 104 H VAL 14 H VAL 14 -1.297 -9.780 9.652 105 HA VAL 14 HA VAL 14 0.060 -8.243 11.739 106 HB VAL 14 HB VAL 14 -2.162 -7.188 10.001 107 HG11 VAL 14 1HG1 VAL 14 -2.912 -6.775 12.223 108 HG12 VAL 14 2HG1 VAL 14 -1.304 -6.254 12.733 109 HG13 VAL 14 3HG1 VAL 14 -2.238 -5.265 11.610 110 HG21 VAL 14 3HG2 VAL 14 0.675 -6.667 10.318 111 HG22 VAL 14 1HG2 VAL 14 -0.426 -6.180 9.030 112 HG23 VAL 14 2HG2 VAL 14 -0.295 -5.205 10.493 113 H GLY 15 H GLY 15 -0.876 -8.395 13.731 114 HA2 GLY 15 1HA GLY 15 -3.251 -8.701 14.741 115 HA3 GLY 15 2HA GLY 15 -3.142 -10.255 13.928 116 H LEU 16 H LEU 16 -0.981 -8.286 15.975 117 HA LEU 16 HA LEU 16 -0.182 -10.722 17.379 118 HB2 LEU 16 1HB LEU 16 1.287 -8.645 16.466 119 HB3 LEU 16 2HB LEU 16 1.020 -8.141 18.134 120 HG LEU 16 HG LEU 16 3.134 -9.276 17.966 121 HD11 LEU 16 1HD1 LEU 16 1.383 -11.337 19.224 122 HD12 LEU 16 2HD1 LEU 16 1.429 -9.706 19.892 123 HD13 LEU 16 3HD1 LEU 16 2.910 -10.658 19.789 124 HD21 LEU 16 3HD2 LEU 16 2.211 -10.660 15.928 125 HD22 LEU 16 1HD2 LEU 16 1.849 -11.845 17.183 126 HD23 LEU 16 2HD2 LEU 16 3.507 -11.292 16.945 127 H TRP 17 H TRP 17 -2.062 -7.862 17.803 128 HA TRP 17 HA TRP 17 -3.401 -7.138 19.493 129 HB2 TRP 17 1HB TRP 17 -3.736 -9.788 19.535 130 HB3 TRP 17 2HB TRP 17 -2.983 -9.598 21.116 131 HD1 TRP 17 HD1 TRP 17 -5.660 -7.366 19.400 132 HE1 TRP 17 HE1 TRP 17 -7.663 -7.165 21.004 133 HE3 TRP 17 HE3 TRP 17 -4.018 -10.442 23.139 134 HZ2 TRP 17 HZ2 TRP 17 -8.443 -8.176 23.521 135 HZ3 TRP 17 HZ3 TRP 17 -5.452 -10.772 25.111 136 HH2 TRP 17 HH2 TRP 17 -7.619 -9.661 25.296 137 H ASP 18 H ASP 18 -0.462 -6.813 19.568 138 HA ASP 18 HA ASP 18 1.108 -5.882 20.926 139 HB2 ASP 18 1HB ASP 18 -1.044 -4.587 21.616 140 HB3 ASP 18 2HB ASP 18 -0.952 -5.554 23.086 141 H PHE 19 H PHE 19 2.359 -7.689 21.269 142 HA PHE 19 HA PHE 19 2.209 -8.812 23.949 143 HB2 PHE 19 1HB PHE 19 1.061 -10.239 21.928 144 HB3 PHE 19 2HB PHE 19 2.707 -10.864 21.894 145 HD1 PHE 19 HD1 PHE 19 -0.181 -10.277 24.146 146 HD2 PHE 19 HD2 PHE 19 3.399 -12.466 23.435 147 HE1 PHE 19 HE1 PHE 19 -0.709 -11.751 26.045 148 HE2 PHE 19 HE2 PHE 19 2.877 -13.944 25.332 149 HZ PHE 19 HZ PHE 19 0.820 -13.588 26.639 150 H LYS 20 H LYS 20 4.173 -9.070 24.820 151 HA LYS 20 HA LYS 20 6.502 -9.212 23.033 152 HB2 LYS 20 1HB LYS 20 6.083 -7.334 25.353 153 HB3 LYS 20 2HB LYS 20 7.685 -7.721 24.740 154 HG2 LYS 20 1HG LYS 20 7.301 -5.851 23.529 155 HG3 LYS 20 2HG LYS 20 6.546 -7.020 22.443 156 HD2 LYS 20 1HD LYS 20 4.404 -6.389 23.044 157 HD3 LYS 20 2HD LYS 20 4.923 -5.734 24.599 158 HE2 LYS 20 1HE LYS 20 6.256 -4.068 23.028 159 HE3 LYS 20 2HE LYS 20 4.978 -4.502 21.894 160 HZ1 LYS 20 3HZ LYS 20 4.446 -3.533 24.645 161 HZ2 LYS 20 1HZ LYS 20 3.334 -3.716 23.382 162 HZ3 LYS 20 2HZ LYS 20 4.518 -2.510 23.299 163 H SER 21 H SER 21 7.775 -10.872 23.508 164 HA SER 21 HA SER 21 7.598 -12.043 26.205 165 HB2 SER 21 1HB SER 21 7.183 -13.250 23.725 166 HB3 SER 21 2HB SER 21 8.796 -13.779 24.204 167 HG SER 21 HG SER 21 6.404 -14.565 25.149 168 H ARG 22 H ARG 22 9.658 -10.569 23.905 169 HA ARG 22 HA ARG 22 11.861 -10.008 23.921 170 HB2 ARG 22 1HB ARG 22 11.930 -10.828 26.820 171 HB3 ARG 22 2HB ARG 22 12.916 -9.618 26.009 172 HG2 ARG 22 1HG ARG 22 9.946 -9.391 26.445 173 HG3 ARG 22 2HG ARG 22 11.177 -8.657 27.474 174 HD2 ARG 22 1HD ARG 22 10.742 -8.105 24.541 175 HD3 ARG 22 2HD ARG 22 10.301 -7.041 25.876 176 HE ARG 22 HE ARG 22 12.897 -7.365 24.715 177 HH11 ARG 22 1HH1 ARG 22 11.180 -6.545 27.630 178 HH12 ARG 22 2HH1 ARG 22 12.472 -5.589 28.278 179 HH21 ARG 22 1HH2 ARG 22 14.605 -6.109 25.556 180 HH22 ARG 22 2HH2 ARG 22 14.420 -5.341 27.097 181 H THR 23 H THR 23 10.941 -12.842 23.530 182 HA THR 23 HA THR 23 13.530 -14.157 24.040 183 HB THR 23 HB THR 23 12.346 -16.313 24.102 184 HG1 THR 23 HG1 THR 23 9.979 -16.135 24.345 185 HG21 THR 23 3HG2 THR 23 10.759 -14.958 26.123 186 HG22 THR 23 1HG2 THR 23 12.427 -14.388 26.094 187 HG23 THR 23 2HG2 THR 23 12.084 -16.105 26.314 188 H ASP 24 H ASP 24 14.117 -15.831 22.464 189 HA ASP 24 HA ASP 24 13.825 -14.871 19.798 190 HB2 ASP 24 1HB ASP 24 15.021 -17.460 20.810 191 HB3 ASP 24 2HB ASP 24 15.201 -16.823 19.178 192 H GLU 25 H GLU 25 12.053 -17.069 21.730 193 HA GLU 25 HA GLU 25 10.889 -18.457 19.452 194 HB2 GLU 25 1HB GLU 25 9.576 -19.662 21.220 195 HB3 GLU 25 2HB GLU 25 11.320 -19.840 21.352 196 HG2 GLU 25 1HG GLU 25 11.435 -18.691 23.297 197 HG3 GLU 25 2HG GLU 25 10.082 -17.638 22.886 198 H GLU 26 H GLU 26 10.497 -15.495 20.421 199 HA GLU 26 HA GLU 26 7.710 -15.396 19.637 200 HB2 GLU 26 1HB GLU 26 8.664 -14.574 22.368 201 HB3 GLU 26 2HB GLU 26 7.251 -13.826 21.636 202 HG2 GLU 26 1HG GLU 26 6.694 -16.461 21.296 203 HG3 GLU 26 2HG GLU 26 7.580 -16.481 22.820 204 H LEU 27 H LEU 27 6.992 -13.224 19.131 205 HA LEU 27 HA LEU 27 9.205 -11.588 18.167 206 HB2 LEU 27 1HB LEU 27 6.262 -11.198 17.674 207 HB3 LEU 27 2HB LEU 27 7.604 -10.492 16.775 208 HG LEU 27 HG LEU 27 6.596 -13.323 16.714 209 HD11 LEU 27 1HD1 LEU 27 5.452 -11.996 15.164 210 HD12 LEU 27 2HD1 LEU 27 6.722 -12.779 14.224 211 HD13 LEU 27 3HD1 LEU 27 6.905 -11.098 14.724 212 HD21 LEU 27 3HD2 LEU 27 9.320 -12.332 16.295 213 HD22 LEU 27 1HD2 LEU 27 8.674 -13.277 14.953 214 HD23 LEU 27 2HD2 LEU 27 8.736 -13.974 16.572 215 H SER 28 H SER 28 9.840 -9.787 19.145 216 HA SER 28 HA SER 28 8.249 -8.751 21.363 217 HB2 SER 28 1HB SER 28 10.460 -7.269 21.516 218 HB3 SER 28 2HB SER 28 10.400 -8.913 22.152 219 HG SER 28 HG SER 28 12.072 -8.010 20.390 220 H PHE 29 H PHE 29 6.626 -7.798 19.984 221 HA PHE 29 HA PHE 29 7.228 -5.054 19.375 222 HB2 PHE 29 1HB PHE 29 6.816 -5.044 17.060 223 HB3 PHE 29 2HB PHE 29 7.878 -6.428 17.301 224 HD1 PHE 29 HD1 PHE 29 6.827 -8.730 17.442 225 HD2 PHE 29 HD2 PHE 29 4.729 -5.297 16.054 226 HE1 PHE 29 HE1 PHE 29 5.181 -10.187 16.336 227 HE2 PHE 29 HE2 PHE 29 3.079 -6.748 14.947 228 HZ PHE 29 HZ PHE 29 3.304 -9.196 15.087 229 H ARG 30 H ARG 30 5.261 -3.854 18.694 230 HA ARG 30 HA ARG 30 2.918 -4.991 20.036 231 HB2 ARG 30 1HB ARG 30 2.137 -2.764 20.331 232 HB3 ARG 30 2HB ARG 30 3.851 -2.749 20.723 233 HG2 ARG 30 1HG ARG 30 4.367 -1.798 18.553 234 HG3 ARG 30 2HG ARG 30 2.663 -1.870 18.100 235 HD2 ARG 30 1HD ARG 30 2.069 -0.224 19.677 236 HD3 ARG 30 2HD ARG 30 3.613 -0.360 20.517 237 HE ARG 30 HE ARG 30 4.531 1.085 18.994 238 HH11 ARG 30 1HH1 ARG 30 1.476 -0.068 17.787 239 HH12 ARG 30 2HH1 ARG 30 1.441 1.033 16.450 240 HH21 ARG 30 1HH2 ARG 30 4.496 2.540 17.238 241 HH22 ARG 30 2HH2 ARG 30 3.160 2.515 16.138 242 H ALA 31 H ALA 31 0.840 -4.892 19.094 243 HA ALA 31 HA ALA 31 0.615 -5.717 16.476 244 HB1 ALA 31 1HB ALA 31 -1.809 -4.993 16.686 245 HB2 ALA 31 2HB ALA 31 -1.209 -6.112 17.911 246 HB3 ALA 31 3HB ALA 31 -1.385 -4.399 18.292 247 H GLY 32 H GLY 32 -0.325 -4.674 14.596 248 HA2 GLY 32 1HA GLY 32 -0.936 -2.685 13.397 249 HA3 GLY 32 2HA GLY 32 0.044 -1.754 14.522 250 H ASP 33 H ASP 33 2.155 -3.944 14.247 251 HA ASP 33 HA ASP 33 3.549 -2.681 12.053 252 HB2 ASP 33 1HB ASP 33 4.268 -4.520 14.276 253 HB3 ASP 33 2HB ASP 33 5.272 -4.580 12.829 254 H VAL 34 H VAL 34 4.511 -3.830 10.291 255 HA VAL 34 HA VAL 34 2.893 -6.135 9.448 256 HB VAL 34 HB VAL 34 3.568 -5.595 7.158 257 HG11 VAL 34 1HG1 VAL 34 2.421 -3.286 8.721 258 HG12 VAL 34 2HG1 VAL 34 2.385 -3.415 6.961 259 HG13 VAL 34 3HG1 VAL 34 1.532 -4.600 7.952 260 HG21 VAL 34 3HG2 VAL 34 4.615 -3.085 7.161 261 HG22 VAL 34 1HG2 VAL 34 5.412 -3.798 8.564 262 HG23 VAL 34 2HG2 VAL 34 5.559 -4.564 6.982 263 H PHE 35 H PHE 35 3.814 -8.040 8.856 264 HA PHE 35 HA PHE 35 6.714 -8.242 8.654 265 HB2 PHE 35 1HB PHE 35 6.536 -10.323 10.203 266 HB3 PHE 35 2HB PHE 35 6.612 -8.722 10.932 267 HD1 PHE 35 HD1 PHE 35 4.642 -7.728 11.961 268 HD2 PHE 35 HD2 PHE 35 4.542 -11.652 10.315 269 HE1 PHE 35 HE1 PHE 35 2.543 -8.175 13.164 270 HE2 PHE 35 HE2 PHE 35 2.442 -12.105 11.514 271 HZ PHE 35 HZ PHE 35 1.439 -10.365 12.941 272 H HIS 36 H HIS 36 7.389 -10.455 7.950 273 HA HIS 36 HA HIS 36 5.286 -11.747 6.342 274 HB2 HIS 36 1HB HIS 36 6.898 -10.336 5.002 275 HB3 HIS 36 2HB HIS 36 8.169 -11.454 5.489 276 HD1 HIS 36 HD1 HIS 36 4.879 -11.480 3.600 277 HD2 HIS 36 HD2 HIS 36 8.415 -13.642 3.889 278 HE1 HIS 36 HE1 HIS 36 4.765 -13.203 1.772 279 H VAL 37 H VAL 37 5.762 -14.004 5.760 280 HA VAL 37 HA VAL 37 6.938 -15.390 8.038 281 HB VAL 37 HB VAL 37 5.942 -17.427 7.032 282 HG11 VAL 37 1HG1 VAL 37 3.519 -16.617 7.258 283 HG12 VAL 37 2HG1 VAL 37 4.592 -16.407 8.644 284 HG13 VAL 37 3HG1 VAL 37 4.221 -15.036 7.598 285 HG21 VAL 37 3HG2 VAL 37 5.405 -17.458 4.877 286 HG22 VAL 37 1HG2 VAL 37 4.139 -16.270 5.191 287 HG23 VAL 37 2HG2 VAL 37 5.758 -15.736 4.740 288 H ALA 38 H ALA 38 8.828 -16.432 7.993 289 HA ALA 38 HA ALA 38 10.365 -16.407 5.515 290 HB1 ALA 38 1HB ALA 38 11.835 -15.688 7.062 291 HB2 ALA 38 2HB ALA 38 11.002 -16.499 8.389 292 HB3 ALA 38 3HB ALA 38 12.080 -17.413 7.334 293 H ARG 39 H ARG 39 9.445 -18.736 8.049 294 HA ARG 39 HA ARG 39 9.685 -20.872 6.039 295 HB2 ARG 39 1HB ARG 39 11.514 -20.675 7.941 296 HB3 ARG 39 2HB ARG 39 10.274 -21.465 8.905 297 HG2 ARG 39 1HG ARG 39 10.394 -23.420 7.711 298 HG3 ARG 39 2HG ARG 39 11.003 -22.621 6.260 299 HD2 ARG 39 1HD ARG 39 13.128 -22.175 7.519 300 HD3 ARG 39 2HD ARG 39 12.504 -23.208 8.804 301 HE ARG 39 HE ARG 39 12.317 -24.774 6.608 302 HH11 ARG 39 1HH1 ARG 39 14.907 -22.917 8.009 303 HH12 ARG 39 2HH1 ARG 39 16.151 -23.979 7.439 304 HH21 ARG 39 1HH2 ARG 39 13.947 -26.180 5.852 305 HH22 ARG 39 2HH2 ARG 39 15.604 -25.834 6.211 306 H LYS 40 H LYS 40 8.056 -22.333 5.982 307 HA LYS 40 HA LYS 40 5.861 -21.933 7.903 308 HB2 LYS 40 1HB LYS 40 4.467 -23.041 6.078 309 HB3 LYS 40 2HB LYS 40 5.055 -21.416 5.748 310 HG2 LYS 40 1HG LYS 40 6.890 -22.371 4.419 311 HG3 LYS 40 2HG LYS 40 6.239 -23.985 4.713 312 HD2 LYS 40 1HD LYS 40 4.471 -21.879 3.549 313 HD3 LYS 40 2HD LYS 40 5.644 -22.696 2.513 314 HE2 LYS 40 1HE LYS 40 3.737 -23.998 2.274 315 HE3 LYS 40 2HE LYS 40 4.659 -24.868 3.498 316 HZ1 LYS 40 3HZ LYS 40 2.068 -24.034 3.718 317 HZ2 LYS 40 1HZ LYS 40 2.926 -22.911 4.647 318 HZ3 LYS 40 2HZ LYS 40 3.056 -24.563 4.985 319 H GLU 41 H GLU 41 5.935 -23.430 9.452 320 HA GLU 41 HA GLU 41 6.605 -26.196 8.699 321 HB2 GLU 41 1HB GLU 41 7.746 -24.645 10.648 322 HB3 GLU 41 2HB GLU 41 6.544 -25.544 11.563 323 HG2 GLU 41 1HG GLU 41 8.743 -26.633 11.545 324 HG3 GLU 41 2HG GLU 41 7.479 -27.636 10.834 325 H GLU 42 H GLU 42 5.460 -27.907 9.893 326 HA GLU 42 HA GLU 42 2.639 -27.471 9.804 327 HB2 GLU 42 1HB GLU 42 2.414 -29.795 10.220 328 HB3 GLU 42 2HB GLU 42 3.834 -29.617 9.200 329 HG2 GLU 42 1HG GLU 42 5.276 -29.840 11.151 330 HG3 GLU 42 2HG GLU 42 3.858 -29.999 12.185 331 H GLN 43 H GLN 43 5.040 -27.360 12.275 332 HA GLN 43 HA GLN 43 3.038 -27.483 14.402 333 HB2 GLN 43 1HB GLN 43 6.003 -27.719 14.283 334 HB3 GLN 43 2HB GLN 43 5.293 -27.098 15.767 335 HG2 GLN 43 1HG GLN 43 3.948 -29.482 14.798 336 HG3 GLN 43 2HG GLN 43 5.662 -29.744 15.114 337 HE21 GLN 43 2HE2 GLN 43 2.606 -29.598 16.454 338 HE22 GLN 43 1HE2 GLN 43 3.051 -29.543 18.122 339 H TRP 44 H TRP 44 5.925 -25.442 14.034 340 HA TRP 44 HA TRP 44 4.285 -23.142 14.857 341 HB2 TRP 44 1HB TRP 44 7.267 -23.596 15.096 342 HB3 TRP 44 2HB TRP 44 6.439 -22.112 15.558 343 HD1 TRP 44 HD1 TRP 44 7.497 -25.387 16.925 344 HE1 TRP 44 HE1 TRP 44 6.497 -25.747 19.269 345 HE3 TRP 44 HE3 TRP 44 4.069 -21.594 16.936 346 HZ2 TRP 44 HZ2 TRP 44 4.516 -24.579 20.906 347 HZ3 TRP 44 HZ3 TRP 44 2.660 -21.284 18.929 348 HH2 TRP 44 HH2 TRP 44 2.880 -22.747 20.872 349 H TRP 45 H TRP 45 4.762 -21.062 13.893 350 HA TRP 45 HA TRP 45 5.683 -21.335 11.109 351 HB2 TRP 45 1HB TRP 45 3.432 -19.878 12.359 352 HB3 TRP 45 2HB TRP 45 4.289 -19.013 11.087 353 HD1 TRP 45 HD1 TRP 45 4.587 -20.628 8.721 354 HE1 TRP 45 HE1 TRP 45 2.739 -22.010 7.581 355 HE3 TRP 45 HE3 TRP 45 1.356 -21.066 12.659 356 HZ2 TRP 45 HZ2 TRP 45 0.242 -23.136 8.261 357 HZ3 TRP 45 HZ3 TRP 45 -0.741 -22.311 12.330 358 HH2 TRP 45 HH2 TRP 45 -1.285 -23.323 10.176 359 H TRP 46 H TRP 46 7.410 -20.214 10.476 360 HA TRP 46 HA TRP 46 8.778 -18.532 12.380 361 HB2 TRP 46 1HB TRP 46 9.424 -19.772 9.758 362 HB3 TRP 46 2HB TRP 46 10.303 -18.306 10.184 363 HD1 TRP 46 HD1 TRP 46 9.416 -21.577 12.105 364 HE1 TRP 46 HE1 TRP 46 11.536 -22.358 13.337 365 HE3 TRP 46 HE3 TRP 46 12.612 -17.859 10.657 366 HZ2 TRP 46 HZ2 TRP 46 14.210 -21.511 13.654 367 HZ3 TRP 46 HZ3 TRP 46 14.934 -17.918 11.469 368 HH2 TRP 46 HH2 TRP 46 15.714 -19.706 12.937 369 H ALA 47 H ALA 47 8.541 -16.409 12.547 370 HA ALA 47 HA ALA 47 7.648 -14.897 10.181 371 HB1 ALA 47 1HB ALA 47 5.792 -15.133 11.747 372 HB2 ALA 47 2HB ALA 47 6.779 -14.436 13.033 373 HB3 ALA 47 3HB ALA 47 6.323 -13.454 11.641 374 H THR 48 H THR 48 8.478 -12.815 9.932 375 HA THR 48 HA THR 48 10.611 -12.027 11.797 376 HB THR 48 HB THR 48 10.845 -11.853 8.788 377 HG1 THR 48 HG1 THR 48 12.110 -13.640 8.905 378 HG21 THR 48 3HG2 THR 48 12.791 -10.742 9.076 379 HG22 THR 48 1HG2 THR 48 13.219 -11.656 10.521 380 HG23 THR 48 2HG2 THR 48 12.089 -10.307 10.634 381 H LEU 49 H LEU 49 10.470 -9.979 12.447 382 HA LEU 49 HA LEU 49 8.537 -8.228 11.129 383 HB2 LEU 49 1HB LEU 49 8.135 -8.296 13.418 384 HB3 LEU 49 2HB LEU 49 9.851 -8.260 13.817 385 HG LEU 49 HG LEU 49 9.919 -5.886 13.104 386 HD11 LEU 49 1HD1 LEU 49 7.744 -6.290 11.687 387 HD12 LEU 49 2HD1 LEU 49 8.090 -4.712 12.392 388 HD13 LEU 49 3HD1 LEU 49 6.945 -5.798 13.180 389 HD21 LEU 49 3HD2 LEU 49 8.090 -6.771 15.311 390 HD22 LEU 49 1HD2 LEU 49 8.447 -5.066 15.035 391 HD23 LEU 49 2HD2 LEU 49 9.753 -6.189 15.413 392 H LEU 50 H LEU 50 9.224 -6.814 9.677 393 HA LEU 50 HA LEU 50 11.989 -5.822 9.867 394 HB2 LEU 50 1HB LEU 50 10.496 -5.416 7.363 395 HB3 LEU 50 2HB LEU 50 12.175 -5.885 7.621 396 HG LEU 50 HG LEU 50 9.792 -7.726 7.822 397 HD11 LEU 50 1HD1 LEU 50 11.936 -7.690 5.714 398 HD12 LEU 50 2HD1 LEU 50 10.381 -6.880 5.524 399 HD13 LEU 50 3HD1 LEU 50 10.444 -8.629 5.736 400 HD21 LEU 50 3HD2 LEU 50 11.873 -8.173 9.256 401 HD22 LEU 50 1HD2 LEU 50 12.682 -8.523 7.728 402 HD23 LEU 50 2HD2 LEU 50 11.283 -9.476 8.223 403 H ASP 51 H ASP 51 12.356 -3.594 9.156 404 HA ASP 51 HA ASP 51 10.392 -1.828 10.317 405 HB2 ASP 51 1HB ASP 51 13.100 -1.755 10.228 406 HB3 ASP 51 2HB ASP 51 12.712 -0.665 8.900 407 H GLU 52 H GLU 52 10.250 0.410 9.016 408 HA GLU 52 HA GLU 52 8.508 -0.040 6.886 409 HB2 GLU 52 1HB GLU 52 8.669 2.378 6.463 410 HB3 GLU 52 2HB GLU 52 8.477 2.026 8.174 411 HG2 GLU 52 1HG GLU 52 11.106 2.140 8.147 412 HG3 GLU 52 2HG GLU 52 10.817 3.121 6.712 413 H ALA 53 H ALA 53 11.956 0.202 6.959 414 HA ALA 53 HA ALA 53 12.250 0.715 4.137 415 HB1 ALA 53 1HB ALA 53 14.240 -0.037 6.271 416 HB2 ALA 53 2HB ALA 53 14.668 0.295 4.592 417 HB3 ALA 53 3HB ALA 53 13.952 1.563 5.586 418 H GLY 54 H GLY 54 11.752 -2.031 6.113 419 HA2 GLY 54 1HA GLY 54 11.138 -4.122 5.113 420 HA3 GLY 54 2HA GLY 54 12.225 -3.761 3.780 421 H GLY 55 H GLY 55 14.156 -2.821 6.038 422 HA2 GLY 55 1HA GLY 55 15.684 -5.218 6.089 423 HA3 GLY 55 2HA GLY 55 16.040 -3.745 6.979 424 H ALA 56 H ALA 56 15.424 -6.927 7.347 425 HA ALA 56 HA ALA 56 13.582 -7.147 9.416 426 HB1 ALA 56 1HB ALA 56 14.223 -9.302 9.528 427 HB2 ALA 56 2HB ALA 56 15.121 -8.904 8.062 428 HB3 ALA 56 3HB ALA 56 15.938 -8.898 9.625 429 H VAL 57 H VAL 57 13.670 -6.967 11.617 430 HA VAL 57 HA VAL 57 16.152 -5.847 12.750 431 HB VAL 57 HB VAL 57 14.424 -4.809 14.450 432 HG11 VAL 57 1HG1 VAL 57 16.040 -3.673 12.849 433 HG12 VAL 57 2HG1 VAL 57 14.673 -3.528 11.742 434 HG13 VAL 57 3HG1 VAL 57 14.615 -2.751 13.325 435 HG21 VAL 57 3HG2 VAL 57 12.465 -5.883 13.436 436 HG22 VAL 57 1HG2 VAL 57 12.347 -4.124 13.380 437 HG23 VAL 57 2HG2 VAL 57 12.780 -5.025 11.927 438 H ALA 58 H ALA 58 13.195 -7.675 13.455 439 HA ALA 58 HA ALA 58 14.674 -9.069 15.589 440 HB1 ALA 58 1HB ALA 58 11.922 -7.914 15.632 441 HB2 ALA 58 2HB ALA 58 12.283 -9.344 16.599 442 HB3 ALA 58 3HB ALA 58 13.188 -7.853 16.859 443 H GLN 59 H GLN 59 13.938 -11.259 16.023 444 HA GLN 59 HA GLN 59 12.497 -12.505 13.786 445 HB2 GLN 59 1HB GLN 59 14.950 -13.734 15.037 446 HB3 GLN 59 2HB GLN 59 14.094 -14.266 13.596 447 HG2 GLN 59 1HG GLN 59 14.762 -12.126 12.503 448 HG3 GLN 59 2HG GLN 59 15.761 -11.785 13.914 449 HE21 GLN 59 2HE2 GLN 59 17.792 -12.410 13.813 450 HE22 GLN 59 1HE2 GLN 59 18.432 -13.626 12.766 451 H GLY 60 H GLY 60 11.640 -14.654 14.290 452 HA2 GLY 60 1HA GLY 60 11.609 -16.045 16.596 453 HA3 GLY 60 2HA GLY 60 10.558 -14.689 16.977 454 H TYR 61 H TYR 61 9.962 -17.566 16.769 455 HA TYR 61 HA TYR 61 8.182 -17.654 14.447 456 HB2 TYR 61 1HB TYR 61 8.004 -20.011 14.832 457 HB3 TYR 61 2HB TYR 61 9.706 -19.585 14.972 458 HD1 TYR 61 HD1 TYR 61 6.692 -20.569 16.845 459 HD2 TYR 61 HD2 TYR 61 10.875 -19.818 17.053 460 HE1 TYR 61 HE1 TYR 61 6.763 -21.617 19.069 461 HE2 TYR 61 HE2 TYR 61 10.958 -20.865 19.277 462 HH TYR 61 HH TYR 61 9.053 -22.834 20.456 463 H VAL 62 H VAL 62 5.972 -17.910 14.610 464 HA VAL 62 HA VAL 62 4.713 -18.064 17.220 465 HB VAL 62 HB VAL 62 3.252 -16.040 16.612 466 HG11 VAL 62 1HG1 VAL 62 5.193 -16.287 18.350 467 HG12 VAL 62 2HG1 VAL 62 6.038 -15.190 17.256 468 HG13 VAL 62 3HG1 VAL 62 4.511 -14.701 17.993 469 HG21 VAL 62 3HG2 VAL 62 4.304 -14.330 15.244 470 HG22 VAL 62 1HG2 VAL 62 5.673 -15.396 14.932 471 HG23 VAL 62 2HG2 VAL 62 4.076 -15.806 14.306 472 HA PRO 63 HA PRO 63 1.573 -20.184 15.002 473 HB2 PRO 63 1HB PRO 63 -0.631 -19.576 16.465 474 HB3 PRO 63 2HB PRO 63 0.627 -20.678 17.037 475 HG2 PRO 63 1HG PRO 63 0.202 -17.787 17.688 476 HG3 PRO 63 2HG PRO 63 0.629 -19.126 18.769 477 HD2 PRO 63 1HD PRO 63 2.462 -17.362 17.840 478 HD3 PRO 63 2HD PRO 63 2.855 -19.061 18.175 479 H HIS 64 H HIS 64 -0.077 -19.923 13.494 480 HA HIS 64 HA HIS 64 -0.399 -17.218 12.495 481 HB2 HIS 64 1HB HIS 64 0.109 -19.041 10.925 482 HB3 HIS 64 2HB HIS 64 -1.386 -19.853 11.381 483 HD1 HIS 64 HD1 HIS 64 -3.331 -19.366 9.931 484 HD2 HIS 64 HD2 HIS 64 -0.453 -16.377 9.718 485 HE1 HIS 64 HE1 HIS 64 -4.153 -17.764 8.175 486 H ASN 65 H ASN 65 -2.056 -19.287 14.565 487 HA ASN 65 HA ASN 65 -4.728 -18.457 13.906 488 HB2 ASN 65 1HB ASN 65 -5.283 -19.590 16.105 489 HB3 ASN 65 2HB ASN 65 -4.518 -20.615 14.894 490 HD21 ASN 65 2HD2 ASN 65 -3.105 -21.939 15.746 491 HD22 ASN 65 1HD2 ASN 65 -2.051 -21.599 17.073 492 H TYR 66 H TYR 66 -2.202 -16.880 15.304 493 HA TYR 66 HA TYR 66 -3.859 -15.370 17.193 494 HB2 TYR 66 1HB TYR 66 -1.425 -16.330 17.628 495 HB3 TYR 66 2HB TYR 66 -0.943 -14.828 16.847 496 HD1 TYR 66 HD2 TYR 66 -3.626 -15.699 19.305 497 HD2 TYR 66 HD1 TYR 66 -0.228 -13.298 18.415 498 HE1 TYR 66 HE2 TYR 66 -3.920 -14.503 21.434 499 HE2 TYR 66 HE1 TYR 66 -0.512 -12.097 20.542 500 HH TYR 66 HH TYR 66 -1.581 -12.607 22.815 501 H LEU 67 H LEU 67 -1.829 -14.967 14.331 502 HA LEU 67 HA LEU 67 -2.881 -12.231 14.043 503 HB2 LEU 67 1HB LEU 67 -0.909 -11.836 12.581 504 HB3 LEU 67 2HB LEU 67 -0.515 -12.162 14.267 505 HG LEU 67 HG LEU 67 -0.267 -14.641 13.259 506 HD11 LEU 67 1HD1 LEU 67 -0.253 -14.666 11.041 507 HD12 LEU 67 2HD1 LEU 67 1.212 -13.686 11.088 508 HD13 LEU 67 3HD1 LEU 67 -0.366 -12.907 10.968 509 HD21 LEU 67 3HD2 LEU 67 1.644 -12.378 13.588 510 HD22 LEU 67 1HD2 LEU 67 2.219 -13.891 12.886 511 HD23 LEU 67 2HD2 LEU 67 1.507 -13.882 14.500 512 H ALA 68 H ALA 68 -3.230 -11.499 11.807 513 HA ALA 68 HA ALA 68 -3.939 -13.702 9.986 514 HB1 ALA 68 1HB ALA 68 -6.061 -12.967 9.661 515 HB2 ALA 68 2HB ALA 68 -5.838 -12.385 11.311 516 HB3 ALA 68 3HB ALA 68 -5.641 -11.279 9.952 517 H GLU 69 H GLU 69 -3.721 -13.292 7.783 518 HA GLU 69 HA GLU 69 -1.708 -11.411 7.078 519 HB2 GLU 69 1HB GLU 69 -2.098 -12.203 4.764 520 HB3 GLU 69 2HB GLU 69 -1.859 -13.520 5.905 521 HG2 GLU 69 1HG GLU 69 -3.639 -14.353 4.793 522 HG3 GLU 69 2HG GLU 69 -4.505 -13.409 6.004 523 H ARG 70 H ARG 70 -1.891 -9.367 6.434 524 HA ARG 70 HA ARG 70 -4.581 -8.328 5.869 525 HB2 ARG 70 1HB ARG 70 -2.138 -7.174 7.118 526 HB3 ARG 70 2HB ARG 70 -3.169 -6.087 6.198 527 HG2 ARG 70 1HG ARG 70 -5.053 -7.222 7.671 528 HG3 ARG 70 2HG ARG 70 -3.688 -7.487 8.757 529 HD2 ARG 70 1HD ARG 70 -4.754 -4.878 7.707 530 HD3 ARG 70 2HD ARG 70 -4.654 -5.418 9.383 531 HE ARG 70 HE ARG 70 -2.065 -5.370 8.376 532 HH11 ARG 70 1HH1 ARG 70 -4.644 -3.124 9.026 533 HH12 ARG 70 2HH1 ARG 70 -3.580 -1.791 9.336 534 HH21 ARG 70 1HH2 ARG 70 -0.654 -3.624 8.782 535 HH22 ARG 70 2HH2 ARG 70 -1.311 -2.077 9.196 536 H GLU 71 H GLU 71 -4.158 -9.381 3.687 537 HA GLU 71 HA GLU 71 -2.276 -8.526 1.861 538 HB2 GLU 71 1HB GLU 71 -5.087 -9.517 1.591 539 HB3 GLU 71 2HB GLU 71 -4.242 -8.927 0.166 540 HG2 GLU 71 1HG GLU 71 -2.805 -10.679 0.115 541 HG3 GLU 71 2HG GLU 71 -2.821 -10.888 1.865 542 H THR 72 H THR 72 -1.990 -6.782 0.575 543 HA THR 72 HA THR 72 -3.440 -4.384 1.233 544 HB THR 72 HB THR 72 -0.987 -4.378 0.808 545 HG1 THR 72 HG1 THR 72 -1.416 -2.356 0.393 546 HG21 THR 72 3HG2 THR 72 -1.261 -5.994 -1.188 547 HG22 THR 72 1HG2 THR 72 -0.060 -4.709 -1.309 548 HG23 THR 72 2HG2 THR 72 -1.616 -4.540 -2.121 Start of MODEL 4 1 H1 MET 1 H MET 1 -3.592 10.963 9.359 2 HA MET 1 HA MET 1 -4.773 8.785 7.966 3 HB2 MET 1 1HB MET 1 -5.746 11.498 7.082 4 HB3 MET 1 2HB MET 1 -6.261 9.923 6.495 5 HG2 MET 1 1HG MET 1 -6.767 11.025 9.249 6 HG3 MET 1 2HG MET 1 -7.936 10.948 7.934 7 HE1 MET 1 3HE MET 1 -8.309 8.232 11.068 8 HE2 MET 1 1HE MET 1 -7.729 9.896 10.995 9 HE3 MET 1 2HE MET 1 -9.309 9.484 10.329 10 H VAL 2 H VAL 2 -3.361 8.218 6.451 11 HA VAL 2 HA VAL 2 -2.171 10.005 4.617 12 HB VAL 2 HB VAL 2 -0.812 10.687 6.528 13 HG11 VAL 2 1HG1 VAL 2 0.609 8.120 6.745 14 HG12 VAL 2 2HG1 VAL 2 0.170 9.287 7.995 15 HG13 VAL 2 3HG1 VAL 2 -1.028 8.136 7.401 16 HG21 VAL 2 3HG2 VAL 2 0.109 10.393 4.143 17 HG22 VAL 2 1HG2 VAL 2 1.261 10.606 5.462 18 HG23 VAL 2 2HG2 VAL 2 0.965 8.998 4.800 19 H SER 3 H SER 3 -1.675 8.870 2.854 20 HA SER 3 HA SER 3 -1.887 6.022 2.866 21 HB2 SER 3 1HB SER 3 -1.028 7.907 0.657 22 HB3 SER 3 2HB SER 3 -1.423 6.201 0.446 23 HG SER 3 HG SER 3 -3.500 7.002 1.590 24 H ARG 4 H ARG 4 -0.338 4.507 2.913 25 HA ARG 4 HA ARG 4 2.273 5.142 3.745 26 HB2 ARG 4 1HB ARG 4 0.931 2.635 2.797 27 HB3 ARG 4 2HB ARG 4 2.671 2.653 3.050 28 HG2 ARG 4 1HG ARG 4 2.411 3.165 5.358 29 HG3 ARG 4 2HG ARG 4 0.682 3.456 5.157 30 HD2 ARG 4 1HD ARG 4 0.187 1.217 4.992 31 HD3 ARG 4 2HD ARG 4 1.796 0.797 4.404 32 HE ARG 4 HE ARG 4 2.493 0.554 6.575 33 HH11 ARG 4 1HH1 ARG 4 -0.572 2.203 6.524 34 HH12 ARG 4 2HH1 ARG 4 -0.795 2.115 8.240 35 HH21 ARG 4 1HH2 ARG 4 2.211 0.433 8.835 36 HH22 ARG 4 2HH2 ARG 4 0.789 1.109 9.554 37 H ASP 5 H ASP 5 1.132 3.821 0.634 38 HA ASP 5 HA ASP 5 2.061 3.809 -1.445 39 HB2 ASP 5 1HB ASP 5 3.365 6.394 -0.574 40 HB3 ASP 5 2HB ASP 5 3.005 5.886 -2.222 41 H GLN 6 H GLN 6 3.413 2.188 0.260 42 HA GLN 6 HA GLN 6 6.190 2.701 0.439 43 HB2 GLN 6 1HB GLN 6 4.722 0.971 1.707 44 HB3 GLN 6 2HB GLN 6 5.042 -0.070 0.326 45 HG2 GLN 6 1HG GLN 6 7.310 -0.198 0.784 46 HG3 GLN 6 2HG GLN 6 7.289 1.252 1.786 47 HE21 GLN 6 2HE2 GLN 6 5.804 -1.969 1.663 48 HE22 GLN 6 1HE2 GLN 6 5.938 -2.283 3.357 49 H ALA 7 H ALA 7 7.899 1.513 -0.672 50 HA ALA 7 HA ALA 7 7.752 1.769 -3.457 51 HB1 ALA 7 1HB ALA 7 9.943 1.733 -3.093 52 HB2 ALA 7 2HB ALA 7 9.727 0.985 -1.510 53 HB3 ALA 7 3HB ALA 7 9.830 -0.022 -2.955 54 H HIS 8 H HIS 8 7.094 -0.935 -1.347 55 HA HIS 8 HA HIS 8 6.001 -2.409 -3.608 56 HB2 HIS 8 1HB HIS 8 7.156 -4.492 -2.970 57 HB3 HIS 8 2HB HIS 8 8.292 -3.243 -3.471 58 HD1 HIS 8 HD1 HIS 8 7.341 -5.369 -0.599 59 HD2 HIS 8 HD2 HIS 8 9.849 -2.143 -1.350 60 HE1 HIS 8 HE1 HIS 8 8.871 -5.230 1.392 61 H LEU 9 H LEU 9 4.247 -3.627 -3.086 62 HA LEU 9 HA LEU 9 3.583 -3.894 -0.231 63 HB2 LEU 9 1HB LEU 9 1.727 -3.110 -2.472 64 HB3 LEU 9 2HB LEU 9 1.215 -3.494 -0.830 65 HG LEU 9 HG LEU 9 3.073 -1.218 -1.500 66 HD11 LEU 9 1HD1 LEU 9 0.580 -1.248 -2.413 67 HD12 LEU 9 2HD1 LEU 9 1.330 0.213 -1.769 68 HD13 LEU 9 3HD1 LEU 9 0.243 -0.739 -0.758 69 HD21 LEU 9 3HD2 LEU 9 1.921 -2.352 0.953 70 HD22 LEU 9 1HD2 LEU 9 1.799 -0.598 0.810 71 HD23 LEU 9 2HD2 LEU 9 3.376 -1.382 0.721 72 H GLY 10 H GLY 10 2.179 -5.661 0.303 73 HA2 GLY 10 1HA GLY 10 1.323 -7.572 -1.612 74 HA3 GLY 10 2HA GLY 10 2.843 -8.080 -0.891 75 HA PRO 11 HA PRO 11 -0.701 -9.587 1.736 76 HB2 PRO 11 1HB PRO 11 0.115 -12.175 1.805 77 HB3 PRO 11 2HB PRO 11 -0.924 -11.530 0.530 78 HG2 PRO 11 1HG PRO 11 2.031 -12.008 0.504 79 HG3 PRO 11 2HG PRO 11 0.831 -12.352 -0.755 80 HD2 PRO 11 1HD PRO 11 2.439 -10.175 -0.831 81 HD3 PRO 11 2HD PRO 11 0.791 -10.168 -1.490 82 H LYS 12 H LYS 12 0.690 -8.154 3.169 83 HA LYS 12 HA LYS 12 2.806 -9.415 4.650 84 HB2 LYS 12 1HB LYS 12 1.446 -6.767 4.679 85 HB3 LYS 12 2HB LYS 12 2.278 -7.269 6.145 86 HG2 LYS 12 1HG LYS 12 3.707 -5.902 4.721 87 HG3 LYS 12 2HG LYS 12 4.349 -7.536 4.902 88 HD2 LYS 12 1HD LYS 12 3.339 -8.128 2.720 89 HD3 LYS 12 2HD LYS 12 2.820 -6.451 2.538 90 HE2 LYS 12 1HE LYS 12 4.988 -5.675 2.274 91 HE3 LYS 12 2HE LYS 12 5.695 -7.084 3.065 92 HZ1 LYS 12 3HZ LYS 12 6.135 -7.272 0.763 93 HZ2 LYS 12 1HZ LYS 12 4.530 -6.940 0.342 94 HZ3 LYS 12 2HZ LYS 12 4.920 -8.398 1.105 95 H TYR 13 H TYR 13 2.714 -9.449 7.087 96 HA TYR 13 HA TYR 13 0.097 -10.491 7.954 97 HB2 TYR 13 1HB TYR 13 2.895 -11.403 8.494 98 HB3 TYR 13 2HB TYR 13 1.653 -11.691 9.707 99 HD1 TYR 13 HD1 TYR 13 2.529 -12.316 6.154 100 HD2 TYR 13 HD2 TYR 13 0.144 -13.479 9.480 101 HE1 TYR 13 HE1 TYR 13 1.805 -14.320 4.926 102 HE2 TYR 13 HE2 TYR 13 -0.586 -15.488 8.262 103 HH TYR 13 HH TYR 13 -0.742 -16.023 5.526 104 H VAL 14 H VAL 14 -0.821 -9.676 9.750 105 HA VAL 14 HA VAL 14 0.771 -8.008 11.551 106 HB VAL 14 HB VAL 14 -0.340 -6.563 9.781 107 HG11 VAL 14 1HG1 VAL 14 -2.617 -6.321 9.659 108 HG12 VAL 14 2HG1 VAL 14 -2.499 -8.039 10.044 109 HG13 VAL 14 3HG1 VAL 14 -2.875 -6.873 11.313 110 HG21 VAL 14 3HG2 VAL 14 -1.543 -5.352 12.019 111 HG22 VAL 14 1HG2 VAL 14 -0.141 -6.238 12.617 112 HG23 VAL 14 2HG2 VAL 14 0.055 -5.034 11.344 113 H GLY 15 H GLY 15 -0.012 -7.886 13.654 114 HA2 GLY 15 1HA GLY 15 -2.513 -8.549 14.604 115 HA3 GLY 15 2HA GLY 15 -1.646 -10.074 14.487 116 H LEU 16 H LEU 16 -1.773 -10.318 16.758 117 HA LEU 16 HA LEU 16 -0.966 -10.216 18.881 118 HB2 LEU 16 1HB LEU 16 1.248 -9.231 17.203 119 HB3 LEU 16 2HB LEU 16 1.347 -8.821 18.914 120 HG LEU 16 HG LEU 16 2.582 -10.893 18.227 121 HD11 LEU 16 1HD1 LEU 16 1.540 -12.282 20.120 122 HD12 LEU 16 2HD1 LEU 16 0.458 -10.907 20.339 123 HD13 LEU 16 3HD1 LEU 16 2.199 -10.694 20.513 124 HD21 LEU 16 3HD2 LEU 16 1.564 -12.703 17.345 125 HD22 LEU 16 1HD2 LEU 16 0.391 -11.509 16.789 126 HD23 LEU 16 2HD2 LEU 16 0.073 -12.442 18.252 127 H TRP 17 H TRP 17 -2.719 -8.865 19.509 128 HA TRP 17 HA TRP 17 -2.663 -6.050 19.372 129 HB2 TRP 17 1HB TRP 17 -4.228 -8.056 20.946 130 HB3 TRP 17 2HB TRP 17 -4.322 -6.356 21.397 131 HD1 TRP 17 HD1 TRP 17 -5.044 -4.671 19.225 132 HE1 TRP 17 HE1 TRP 17 -6.866 -5.105 17.459 133 HE3 TRP 17 HE3 TRP 17 -5.457 -9.743 19.715 134 HZ2 TRP 17 HZ2 TRP 17 -8.289 -7.307 16.413 135 HZ3 TRP 17 HZ3 TRP 17 -7.072 -10.938 18.295 136 HH2 TRP 17 HH2 TRP 17 -8.459 -9.743 16.679 137 H ASP 18 H ASP 18 -0.881 -5.051 20.155 138 HA ASP 18 HA ASP 18 0.809 -4.472 21.603 139 HB2 ASP 18 1HB ASP 18 -0.092 -3.693 23.810 140 HB3 ASP 18 2HB ASP 18 -0.968 -3.072 22.413 141 H PHE 19 H PHE 19 1.764 -6.647 21.453 142 HA PHE 19 HA PHE 19 1.897 -7.864 24.112 143 HB2 PHE 19 1HB PHE 19 0.952 -9.164 21.636 144 HB3 PHE 19 2HB PHE 19 2.132 -10.084 22.563 145 HD1 PHE 19 HD2 PHE 19 1.612 -10.078 25.195 146 HD2 PHE 19 HD1 PHE 19 -1.255 -9.547 22.093 147 HE1 PHE 19 HE2 PHE 19 -0.169 -10.828 26.717 148 HE2 PHE 19 HE1 PHE 19 -3.041 -10.295 23.611 149 HZ PHE 19 HZ PHE 19 -2.499 -10.938 25.926 150 H LYS 20 H LYS 20 3.937 -7.969 24.750 151 HA LYS 20 HA LYS 20 6.041 -8.293 22.713 152 HB2 LYS 20 1HB LYS 20 6.381 -6.687 25.242 153 HB3 LYS 20 2HB LYS 20 7.452 -6.749 23.848 154 HG2 LYS 20 1HG LYS 20 4.664 -5.616 23.797 155 HG3 LYS 20 2HG LYS 20 6.132 -4.660 24.016 156 HD2 LYS 20 1HD LYS 20 6.873 -5.878 21.811 157 HD3 LYS 20 2HD LYS 20 5.135 -6.091 21.594 158 HE2 LYS 20 1HE LYS 20 5.795 -4.078 20.475 159 HE3 LYS 20 2HE LYS 20 4.859 -3.638 21.902 160 HZ1 LYS 20 3HZ LYS 20 7.451 -2.840 21.221 161 HZ2 LYS 20 1HZ LYS 20 7.559 -3.775 22.627 162 HZ3 LYS 20 2HZ LYS 20 6.553 -2.416 22.590 163 H SER 21 H SER 21 7.081 -10.144 22.979 164 HA SER 21 HA SER 21 6.984 -11.525 25.533 165 HB2 SER 21 1HB SER 21 7.497 -12.267 22.730 166 HB3 SER 21 2HB SER 21 8.496 -13.122 23.905 167 HG SER 21 HG SER 21 5.665 -12.997 23.804 168 H ARG 22 H ARG 22 9.192 -12.845 25.899 169 HA ARG 22 HA ARG 22 11.437 -10.959 25.729 170 HB2 ARG 22 1HB ARG 22 12.022 -11.296 28.033 171 HB3 ARG 22 2HB ARG 22 10.337 -10.798 27.966 172 HG2 ARG 22 1HG ARG 22 10.394 -13.624 27.859 173 HG3 ARG 22 2HG ARG 22 11.465 -13.110 29.164 174 HD2 ARG 22 1HD ARG 22 8.575 -12.336 28.784 175 HD3 ARG 22 2HD ARG 22 9.223 -13.420 30.015 176 HE ARG 22 HE ARG 22 10.568 -11.131 30.474 177 HH11 ARG 22 1HH1 ARG 22 7.184 -11.848 30.083 178 HH12 ARG 22 2HH1 ARG 22 6.658 -10.566 31.122 179 HH21 ARG 22 1HH2 ARG 22 9.888 -9.439 31.844 180 HH22 ARG 22 2HH2 ARG 22 8.197 -9.195 32.123 181 H THR 23 H THR 23 10.740 -13.414 24.268 182 HA THR 23 HA THR 23 13.259 -14.818 24.702 183 HB THR 23 HB THR 23 11.908 -17.024 24.315 184 HG1 THR 23 HG1 THR 23 9.955 -15.242 25.372 185 HG21 THR 23 3HG2 THR 23 11.640 -17.280 26.783 186 HG22 THR 23 1HG2 THR 23 12.004 -15.564 26.956 187 HG23 THR 23 2HG2 THR 23 13.219 -16.660 26.299 188 H ASP 24 H ASP 24 13.776 -16.304 22.903 189 HA ASP 24 HA ASP 24 13.274 -15.047 20.398 190 HB2 ASP 24 1HB ASP 24 14.449 -17.798 20.646 191 HB3 ASP 24 2HB ASP 24 14.847 -16.520 19.501 192 H GLU 25 H GLU 25 11.688 -17.506 22.168 193 HA GLU 25 HA GLU 25 10.533 -18.911 19.972 194 HB2 GLU 25 1HB GLU 25 8.961 -19.794 21.724 195 HB3 GLU 25 2HB GLU 25 10.667 -20.050 22.063 196 HG2 GLU 25 1HG GLU 25 10.675 -18.636 23.837 197 HG3 GLU 25 2HG GLU 25 9.413 -17.606 23.165 198 H GLU 26 H GLU 26 10.027 -15.838 21.173 199 HA GLU 26 HA GLU 26 7.511 -15.624 19.707 200 HB2 GLU 26 1HB GLU 26 7.895 -14.875 22.598 201 HB3 GLU 26 2HB GLU 26 6.651 -14.126 21.607 202 HG2 GLU 26 1HG GLU 26 6.007 -16.612 21.089 203 HG3 GLU 26 2HG GLU 26 6.857 -16.921 22.602 204 H LEU 27 H LEU 27 6.958 -13.417 19.145 205 HA LEU 27 HA LEU 27 9.363 -11.772 18.833 206 HB2 LEU 27 1HB LEU 27 6.762 -11.226 17.466 207 HB3 LEU 27 2HB LEU 27 8.399 -10.837 16.942 208 HG LEU 27 HG LEU 27 8.520 -13.524 16.870 209 HD11 LEU 27 1HD1 LEU 27 6.398 -14.211 17.367 210 HD12 LEU 27 2HD1 LEU 27 6.269 -14.048 15.616 211 HD13 LEU 27 3HD1 LEU 27 5.648 -12.776 16.668 212 HD21 LEU 27 3HD2 LEU 27 8.779 -11.567 15.094 213 HD22 LEU 27 1HD2 LEU 27 7.251 -12.236 14.519 214 HD23 LEU 27 2HD2 LEU 27 8.682 -13.263 14.617 215 H SER 28 H SER 28 9.330 -9.528 19.250 216 HA SER 28 HA SER 28 7.275 -8.724 21.202 217 HB2 SER 28 1HB SER 28 9.388 -8.800 22.303 218 HB3 SER 28 2HB SER 28 10.191 -7.973 20.968 219 HG SER 28 HG SER 28 9.449 -6.098 21.659 220 H PHE 29 H PHE 29 5.802 -7.709 19.918 221 HA PHE 29 HA PHE 29 6.526 -5.103 18.926 222 HB2 PHE 29 1HB PHE 29 5.826 -5.434 16.638 223 HB3 PHE 29 2HB PHE 29 7.085 -6.606 17.016 224 HD1 PHE 29 HD1 PHE 29 6.400 -8.972 17.567 225 HD2 PHE 29 HD2 PHE 29 3.727 -6.122 15.877 226 HE1 PHE 29 HE1 PHE 29 4.923 -10.797 16.833 227 HE2 PHE 29 HE2 PHE 29 2.246 -7.943 15.142 228 HZ PHE 29 HZ PHE 29 2.842 -10.284 15.620 229 H ARG 30 H ARG 30 4.603 -3.896 18.144 230 HA ARG 30 HA ARG 30 2.255 -4.693 19.705 231 HB2 ARG 30 1HB ARG 30 1.568 -2.365 19.562 232 HB3 ARG 30 2HB ARG 30 3.222 -2.470 20.148 233 HG2 ARG 30 1HG ARG 30 2.969 -2.183 17.242 234 HG3 ARG 30 2HG ARG 30 2.381 -0.810 18.183 235 HD2 ARG 30 1HD ARG 30 4.685 -1.241 19.462 236 HD3 ARG 30 2HD ARG 30 5.128 -1.879 17.879 237 HE ARG 30 HE ARG 30 5.112 0.257 17.046 238 HH11 ARG 30 1HH1 ARG 30 3.559 0.220 20.161 239 HH12 ARG 30 2HH1 ARG 30 3.463 1.946 20.279 240 HH21 ARG 30 1HH2 ARG 30 4.991 2.530 17.189 241 HH22 ARG 30 2HH2 ARG 30 4.277 3.259 18.588 242 H ALA 31 H ALA 31 0.103 -4.204 18.780 243 HA ALA 31 HA ALA 31 -0.278 -5.506 16.327 244 HB1 ALA 31 1HB ALA 31 -2.573 -4.029 16.678 245 HB2 ALA 31 2HB ALA 31 -2.260 -5.632 17.344 246 HB3 ALA 31 3HB ALA 31 -1.946 -4.196 18.319 247 H GLY 32 H GLY 32 -0.760 -4.777 14.268 248 HA2 GLY 32 1HA GLY 32 -1.286 -3.030 12.703 249 HA3 GLY 32 2HA GLY 32 -0.519 -1.882 13.790 250 H ASP 33 H ASP 33 1.745 -3.821 14.192 251 HA ASP 33 HA ASP 33 3.479 -2.765 12.234 252 HB2 ASP 33 1HB ASP 33 3.688 -4.745 14.434 253 HB3 ASP 33 2HB ASP 33 4.903 -4.852 13.163 254 H VAL 34 H VAL 34 4.494 -3.730 10.469 255 HA VAL 34 HA VAL 34 2.919 -5.817 9.183 256 HB VAL 34 HB VAL 34 4.153 -5.281 7.157 257 HG11 VAL 34 1HG1 VAL 34 2.196 -3.910 7.814 258 HG12 VAL 34 2HG1 VAL 34 3.300 -2.745 8.549 259 HG13 VAL 34 3HG1 VAL 34 3.353 -3.036 6.810 260 HG21 VAL 34 3HG2 VAL 34 5.824 -3.479 7.134 261 HG22 VAL 34 1HG2 VAL 34 5.715 -3.368 8.891 262 HG23 VAL 34 2HG2 VAL 34 6.335 -4.837 8.137 263 H PHE 35 H PHE 35 3.714 -7.785 8.517 264 HA PHE 35 HA PHE 35 6.474 -8.464 9.229 265 HB2 PHE 35 1HB PHE 35 3.980 -9.762 10.267 266 HB3 PHE 35 2HB PHE 35 5.431 -10.731 10.036 267 HD1 PHE 35 HD2 PHE 35 4.319 -7.549 11.622 268 HD2 PHE 35 HD1 PHE 35 6.947 -10.894 11.759 269 HE1 PHE 35 HE2 PHE 35 5.166 -6.790 13.804 270 HE2 PHE 35 HE1 PHE 35 7.798 -10.141 13.941 271 HZ PHE 35 HZ PHE 35 6.908 -8.086 14.966 272 H HIS 36 H HIS 36 7.182 -10.530 8.262 273 HA HIS 36 HA HIS 36 5.633 -11.344 5.911 274 HB2 HIS 36 1HB HIS 36 7.338 -9.594 5.273 275 HB3 HIS 36 2HB HIS 36 8.588 -10.735 5.761 276 HD1 HIS 36 HD1 HIS 36 9.356 -12.341 4.022 277 HD2 HIS 36 HD2 HIS 36 5.704 -10.610 3.056 278 HE1 HIS 36 HE1 HIS 36 8.835 -13.126 1.690 279 H VAL 37 H VAL 37 5.643 -13.485 5.568 280 HA VAL 37 HA VAL 37 7.011 -15.180 7.454 281 HB VAL 37 HB VAL 37 5.844 -17.030 6.368 282 HG11 VAL 37 1HG1 VAL 37 4.595 -15.915 8.049 283 HG12 VAL 37 2HG1 VAL 37 4.178 -14.593 6.958 284 HG13 VAL 37 3HG1 VAL 37 3.492 -16.198 6.704 285 HG21 VAL 37 3HG2 VAL 37 5.905 -16.458 4.074 286 HG22 VAL 37 1HG2 VAL 37 4.202 -16.451 4.531 287 HG23 VAL 37 2HG2 VAL 37 5.074 -14.929 4.356 288 H ALA 38 H ALA 38 8.799 -16.368 7.138 289 HA ALA 38 HA ALA 38 10.039 -16.268 4.466 290 HB1 ALA 38 1HB ALA 38 11.404 -16.577 7.138 291 HB2 ALA 38 2HB ALA 38 12.193 -16.444 5.566 292 HB3 ALA 38 3HB ALA 38 11.289 -15.077 6.217 293 H ARG 39 H ARG 39 8.922 -18.314 7.017 294 HA ARG 39 HA ARG 39 9.410 -20.652 5.362 295 HB2 ARG 39 1HB ARG 39 10.780 -20.126 7.948 296 HB3 ARG 39 2HB ARG 39 10.197 -21.761 7.666 297 HG2 ARG 39 1HG ARG 39 11.960 -20.286 5.730 298 HG3 ARG 39 2HG ARG 39 12.578 -21.328 7.013 299 HD2 ARG 39 1HD ARG 39 10.955 -23.088 6.004 300 HD3 ARG 39 2HD ARG 39 10.995 -22.050 4.579 301 HE ARG 39 HE ARG 39 13.607 -22.408 5.110 302 HH11 ARG 39 1HH1 ARG 39 10.944 -24.629 4.807 303 HH12 ARG 39 2HH1 ARG 39 11.925 -25.930 4.219 304 HH21 ARG 39 1HH2 ARG 39 14.910 -24.113 4.337 305 HH22 ARG 39 2HH2 ARG 39 14.182 -25.635 3.952 306 H LYS 40 H LYS 40 7.619 -21.828 5.335 307 HA LYS 40 HA LYS 40 5.710 -21.535 7.552 308 HB2 LYS 40 1HB LYS 40 5.173 -22.591 4.772 309 HB3 LYS 40 2HB LYS 40 3.980 -22.189 6.001 310 HG2 LYS 40 1HG LYS 40 3.841 -20.315 4.736 311 HG3 LYS 40 2HG LYS 40 5.139 -19.815 5.823 312 HD2 LYS 40 1HD LYS 40 6.763 -20.046 4.209 313 HD3 LYS 40 2HD LYS 40 5.837 -21.241 3.298 314 HE2 LYS 40 1HE LYS 40 4.944 -18.383 3.532 315 HE3 LYS 40 2HE LYS 40 6.084 -18.900 2.291 316 HZ1 LYS 40 3HZ LYS 40 4.127 -19.158 1.185 317 HZ2 LYS 40 1HZ LYS 40 3.238 -19.526 2.577 318 HZ3 LYS 40 2HZ LYS 40 4.240 -20.696 1.879 319 H GLU 41 H GLU 41 5.620 -23.155 8.949 320 HA GLU 41 HA GLU 41 6.379 -25.850 8.037 321 HB2 GLU 41 1HB GLU 41 7.558 -24.511 10.016 322 HB3 GLU 41 2HB GLU 41 6.224 -25.192 10.937 323 HG2 GLU 41 1HG GLU 41 8.252 -26.567 11.042 324 HG3 GLU 41 2HG GLU 41 6.884 -27.425 10.335 325 H GLU 42 H GLU 42 5.274 -27.647 9.250 326 HA GLU 42 HA GLU 42 2.451 -27.350 8.970 327 HB2 GLU 42 1HB GLU 42 2.311 -29.679 9.499 328 HB3 GLU 42 2HB GLU 42 3.728 -29.451 8.484 329 HG2 GLU 42 1HG GLU 42 5.182 -29.597 10.394 330 HG3 GLU 42 2HG GLU 42 3.798 -29.673 11.483 331 H GLN 43 H GLN 43 4.676 -27.131 11.612 332 HA GLN 43 HA GLN 43 2.549 -27.294 13.601 333 HB2 GLN 43 1HB GLN 43 5.533 -26.923 13.902 334 HB3 GLN 43 2HB GLN 43 4.400 -27.053 15.241 335 HG2 GLN 43 1HG GLN 43 3.743 -29.299 14.092 336 HG3 GLN 43 2HG GLN 43 5.326 -29.143 13.333 337 HE21 GLN 43 2HE2 GLN 43 6.640 -30.494 14.332 338 HE22 GLN 43 1HE2 GLN 43 6.822 -30.651 16.043 339 H TRP 44 H TRP 44 5.305 -25.062 13.339 340 HA TRP 44 HA TRP 44 3.419 -22.832 13.729 341 HB2 TRP 44 1HB TRP 44 5.246 -21.699 15.018 342 HB3 TRP 44 2HB TRP 44 4.598 -23.138 15.800 343 HD1 TRP 44 HD1 TRP 44 7.555 -22.435 13.364 344 HE1 TRP 44 HE1 TRP 44 9.586 -23.783 14.190 345 HE3 TRP 44 HE3 TRP 44 5.424 -24.710 17.416 346 HZ2 TRP 44 HZ2 TRP 44 10.203 -25.574 16.283 347 HZ3 TRP 44 HZ3 TRP 44 6.803 -26.227 18.777 348 HH2 TRP 44 HH2 TRP 44 9.142 -26.649 18.220 349 H TRP 45 H TRP 45 4.119 -20.768 12.879 350 HA TRP 45 HA TRP 45 5.811 -21.104 10.498 351 HB2 TRP 45 1HB TRP 45 3.527 -19.251 11.133 352 HB3 TRP 45 2HB TRP 45 4.648 -18.901 9.820 353 HD1 TRP 45 HD1 TRP 45 3.620 -22.514 10.464 354 HE1 TRP 45 HE1 TRP 45 2.167 -23.327 8.501 355 HE3 TRP 45 HE3 TRP 45 3.003 -18.069 8.015 356 HZ2 TRP 45 HZ2 TRP 45 0.924 -22.229 6.217 357 HZ3 TRP 45 HZ3 TRP 45 1.669 -18.036 5.948 358 HH2 TRP 45 HH2 TRP 45 0.652 -20.075 5.069 359 H TRP 46 H TRP 46 7.546 -19.801 10.125 360 HA TRP 46 HA TRP 46 8.564 -18.327 12.400 361 HB2 TRP 46 1HB TRP 46 9.704 -19.188 9.759 362 HB3 TRP 46 2HB TRP 46 10.535 -17.980 10.735 363 HD1 TRP 46 HD1 TRP 46 9.103 -21.554 11.301 364 HE1 TRP 46 HE1 TRP 46 10.743 -22.822 12.826 365 HE3 TRP 46 HE3 TRP 46 12.511 -17.829 12.104 366 HZ2 TRP 46 HZ2 TRP 46 13.161 -22.311 14.190 367 HZ3 TRP 46 HZ3 TRP 46 14.458 -18.300 13.532 368 HH2 TRP 46 HH2 TRP 46 14.774 -20.495 14.553 369 H ALA 47 H ALA 47 8.281 -16.223 12.690 370 HA ALA 47 HA ALA 47 7.641 -14.555 10.346 371 HB1 ALA 47 1HB ALA 47 5.737 -14.335 11.577 372 HB2 ALA 47 2HB ALA 47 6.566 -14.599 13.112 373 HB3 ALA 47 3HB ALA 47 6.693 -13.040 12.299 374 H THR 48 H THR 48 8.631 -12.560 10.119 375 HA THR 48 HA THR 48 10.812 -11.959 12.004 376 HB THR 48 HB THR 48 11.080 -11.471 9.046 377 HG1 THR 48 HG1 THR 48 11.507 -13.519 8.765 378 HG21 THR 48 3HG2 THR 48 13.235 -11.934 11.093 379 HG22 THR 48 1HG2 THR 48 12.549 -10.337 10.802 380 HG23 THR 48 2HG2 THR 48 13.375 -11.192 9.499 381 H LEU 49 H LEU 49 11.053 -9.859 12.571 382 HA LEU 49 HA LEU 49 9.034 -7.992 11.589 383 HB2 LEU 49 1HB LEU 49 9.092 -8.077 13.932 384 HB3 LEU 49 2HB LEU 49 10.853 -8.035 13.974 385 HG LEU 49 HG LEU 49 10.752 -5.673 13.190 386 HD11 LEU 49 1HD1 LEU 49 8.343 -6.080 12.286 387 HD12 LEU 49 2HD1 LEU 49 8.784 -4.505 12.945 388 HD13 LEU 49 3HD1 LEU 49 7.859 -5.643 13.925 389 HD21 LEU 49 3HD2 LEU 49 10.831 -5.056 15.329 390 HD22 LEU 49 1HD2 LEU 49 10.389 -6.717 15.725 391 HD23 LEU 49 2HD2 LEU 49 9.139 -5.480 15.594 392 H LEU 50 H LEU 50 9.550 -6.708 9.954 393 HA LEU 50 HA LEU 50 12.346 -5.825 9.679 394 HB2 LEU 50 1HB LEU 50 10.554 -5.460 7.386 395 HB3 LEU 50 2HB LEU 50 12.211 -6.057 7.449 396 HG LEU 50 HG LEU 50 9.753 -7.686 8.090 397 HD11 LEU 50 1HD1 LEU 50 10.053 -6.972 5.683 398 HD12 LEU 50 2HD1 LEU 50 9.981 -8.709 5.978 399 HD13 LEU 50 3HD1 LEU 50 11.535 -7.929 5.681 400 HD21 LEU 50 3HD2 LEU 50 11.145 -9.517 8.390 401 HD22 LEU 50 1HD2 LEU 50 12.032 -8.216 9.186 402 HD23 LEU 50 2HD2 LEU 50 12.505 -8.746 7.571 403 H ASP 51 H ASP 51 12.716 -3.651 8.925 404 HA ASP 51 HA ASP 51 10.992 -1.758 10.219 405 HB2 ASP 51 1HB ASP 51 13.635 -1.771 9.788 406 HB3 ASP 51 2HB ASP 51 13.140 -0.825 8.388 407 H GLU 52 H GLU 52 10.710 0.418 8.844 408 HA GLU 52 HA GLU 52 8.654 -0.078 7.021 409 HB2 GLU 52 1HB GLU 52 8.844 2.332 6.448 410 HB3 GLU 52 2HB GLU 52 8.788 2.032 8.180 411 HG2 GLU 52 1HG GLU 52 11.048 2.532 8.462 412 HG3 GLU 52 2HG GLU 52 11.393 2.358 6.742 413 H ALA 53 H ALA 53 12.088 0.195 6.567 414 HA ALA 53 HA ALA 53 11.936 0.525 3.707 415 HB1 ALA 53 1HB ALA 53 14.120 1.003 3.820 416 HB2 ALA 53 2HB ALA 53 13.867 1.049 5.565 417 HB3 ALA 53 3HB ALA 53 14.478 -0.419 4.801 418 H GLY 54 H GLY 54 11.821 -2.094 5.901 419 HA2 GLY 54 1HA GLY 54 11.088 -4.243 5.076 420 HA3 GLY 54 2HA GLY 54 12.057 -3.966 3.636 421 H GLY 55 H GLY 55 14.099 -2.865 5.780 422 HA2 GLY 55 1HA GLY 55 15.761 -5.147 5.759 423 HA3 GLY 55 2HA GLY 55 16.026 -3.694 6.712 424 H ALA 56 H ALA 56 15.647 -6.924 6.943 425 HA ALA 56 HA ALA 56 13.853 -7.428 8.978 426 HB1 ALA 56 1HB ALA 56 16.486 -8.702 8.299 427 HB2 ALA 56 2HB ALA 56 15.468 -9.298 9.610 428 HB3 ALA 56 3HB ALA 56 14.857 -9.285 7.956 429 H VAL 57 H VAL 57 14.140 -7.730 11.263 430 HA VAL 57 HA VAL 57 16.375 -6.292 12.487 431 HB VAL 57 HB VAL 57 13.517 -5.733 13.279 432 HG11 VAL 57 1HG1 VAL 57 16.122 -5.122 14.418 433 HG12 VAL 57 2HG1 VAL 57 15.132 -3.683 14.166 434 HG13 VAL 57 3HG1 VAL 57 14.517 -5.018 15.142 435 HG21 VAL 57 3HG2 VAL 57 13.833 -3.523 12.244 436 HG22 VAL 57 1HG2 VAL 57 15.395 -4.053 11.620 437 HG23 VAL 57 2HG2 VAL 57 13.913 -4.828 11.060 438 H ALA 58 H ALA 58 13.267 -7.632 13.605 439 HA ALA 58 HA ALA 58 14.755 -9.229 15.571 440 HB1 ALA 58 1HB ALA 58 12.932 -9.130 16.984 441 HB2 ALA 58 2HB ALA 58 12.866 -7.555 16.191 442 HB3 ALA 58 3HB ALA 58 11.793 -8.853 15.666 443 H GLN 59 H GLN 59 14.050 -11.415 16.004 444 HA GLN 59 HA GLN 59 12.624 -12.696 13.777 445 HB2 GLN 59 1HB GLN 59 15.067 -13.920 15.046 446 HB3 GLN 59 2HB GLN 59 14.236 -14.426 13.581 447 HG2 GLN 59 1HG GLN 59 15.960 -13.358 12.606 448 HG3 GLN 59 2HG GLN 59 14.914 -11.958 12.839 449 HE21 GLN 59 2HE2 GLN 59 17.111 -13.826 14.911 450 HE22 GLN 59 1HE2 GLN 59 18.002 -12.462 15.486 451 H GLY 60 H GLY 60 11.262 -14.332 14.332 452 HA2 GLY 60 1HA GLY 60 11.418 -15.806 16.746 453 HA3 GLY 60 2HA GLY 60 10.263 -14.494 16.925 454 H TYR 61 H TYR 61 10.028 -17.512 16.774 455 HA TYR 61 HA TYR 61 8.237 -17.734 14.459 456 HB2 TYR 61 1HB TYR 61 8.358 -20.160 14.822 457 HB3 TYR 61 2HB TYR 61 9.963 -19.462 14.635 458 HD1 TYR 61 HD1 TYR 61 7.561 -20.814 17.099 459 HD2 TYR 61 HD2 TYR 61 11.578 -19.617 16.368 460 HE1 TYR 61 HE1 TYR 61 8.247 -21.839 19.227 461 HE2 TYR 61 HE2 TYR 61 12.275 -20.639 18.494 462 HH TYR 61 HH TYR 61 11.617 -21.678 20.341 463 H VAL 62 H VAL 62 6.093 -18.220 14.669 464 HA VAL 62 HA VAL 62 4.969 -18.848 17.267 465 HB VAL 62 HB VAL 62 3.267 -16.948 16.981 466 HG11 VAL 62 1HG1 VAL 62 4.611 -15.430 18.280 467 HG12 VAL 62 2HG1 VAL 62 4.999 -17.086 18.752 468 HG13 VAL 62 3HG1 VAL 62 6.095 -16.188 17.702 469 HG21 VAL 62 3HG2 VAL 62 3.886 -16.284 14.726 470 HG22 VAL 62 1HG2 VAL 62 4.126 -14.944 15.847 471 HG23 VAL 62 2HG2 VAL 62 5.511 -15.872 15.273 472 HA PRO 63 HA PRO 63 1.998 -21.014 14.870 473 HB2 PRO 63 1HB PRO 63 -0.197 -20.866 16.461 474 HB3 PRO 63 2HB PRO 63 1.201 -21.878 16.844 475 HG2 PRO 63 1HG PRO 63 0.481 -19.168 17.892 476 HG3 PRO 63 2HG PRO 63 1.102 -20.577 18.769 477 HD2 PRO 63 1HD PRO 63 2.682 -18.504 18.037 478 HD3 PRO 63 2HD PRO 63 3.279 -20.173 18.129 479 H HIS 64 H HIS 64 0.245 -20.760 13.472 480 HA HIS 64 HA HIS 64 -0.201 -18.225 12.409 481 HB2 HIS 64 1HB HIS 64 -2.135 -19.308 11.217 482 HB3 HIS 64 2HB HIS 64 -0.599 -20.152 11.045 483 HD1 HIS 64 HD1 HIS 64 -0.630 -22.577 11.570 484 HD2 HIS 64 HD2 HIS 64 -3.861 -20.577 13.249 485 HE1 HIS 64 HE1 HIS 64 -2.075 -24.367 12.586 486 H ASN 65 H ASN 65 -1.710 -19.832 15.066 487 HA ASN 65 HA ASN 65 -4.113 -18.292 15.100 488 HB2 ASN 65 1HB ASN 65 -3.544 -20.583 16.252 489 HB3 ASN 65 2HB ASN 65 -2.980 -19.557 17.568 490 HD21 ASN 65 2HD2 ASN 65 -5.765 -20.030 15.434 491 HD22 ASN 65 1HD2 ASN 65 -6.959 -19.651 16.624 492 H TYR 66 H TYR 66 -0.885 -17.719 16.087 493 HA TYR 66 HA TYR 66 -1.453 -15.778 18.112 494 HB2 TYR 66 1HB TYR 66 0.813 -17.151 17.244 495 HB3 TYR 66 2HB TYR 66 1.142 -15.468 16.844 496 HD1 TYR 66 HD2 TYR 66 -0.529 -17.180 19.723 497 HD2 TYR 66 HD1 TYR 66 2.493 -14.481 18.424 498 HE1 TYR 66 HE2 TYR 66 0.085 -16.749 22.065 499 HE2 TYR 66 HE1 TYR 66 3.116 -14.043 20.763 500 HH TYR 66 HH TYR 66 2.806 -14.632 22.892 501 H LEU 67 H LEU 67 0.072 -15.398 14.907 502 HA LEU 67 HA LEU 67 -0.783 -12.609 14.862 503 HB2 LEU 67 1HB LEU 67 1.326 -14.194 13.604 504 HB3 LEU 67 2HB LEU 67 0.549 -13.053 12.508 505 HG LEU 67 HG LEU 67 1.376 -11.940 15.107 506 HD11 LEU 67 1HD1 LEU 67 3.725 -11.774 14.468 507 HD12 LEU 67 2HD1 LEU 67 3.420 -12.794 13.062 508 HD13 LEU 67 3HD1 LEU 67 3.239 -13.455 14.687 509 HD21 LEU 67 3HD2 LEU 67 0.677 -11.032 12.545 510 HD22 LEU 67 1HD2 LEU 67 2.381 -10.633 12.762 511 HD23 LEU 67 2HD2 LEU 67 1.188 -10.068 13.931 512 H ALA 68 H ALA 68 -1.714 -11.719 12.861 513 HA ALA 68 HA ALA 68 -3.592 -13.635 11.644 514 HB1 ALA 68 1HB ALA 68 -4.353 -10.889 11.258 515 HB2 ALA 68 2HB ALA 68 -5.234 -12.197 12.049 516 HB3 ALA 68 3HB ALA 68 -4.086 -11.224 12.969 517 H GLU 69 H GLU 69 -3.965 -13.581 9.425 518 HA GLU 69 HA GLU 69 -1.755 -12.512 7.866 519 HB2 GLU 69 1HB GLU 69 -2.630 -13.870 6.044 520 HB3 GLU 69 2HB GLU 69 -2.476 -14.835 7.505 521 HG2 GLU 69 1HG GLU 69 -5.095 -13.556 6.992 522 HG3 GLU 69 2HG GLU 69 -4.630 -14.908 5.960 523 H ARG 70 H ARG 70 -2.014 -11.177 6.039 524 HA ARG 70 HA ARG 70 -4.611 -9.846 5.747 525 HB2 ARG 70 1HB ARG 70 -1.990 -8.573 6.431 526 HB3 ARG 70 2HB ARG 70 -3.146 -7.688 5.444 527 HG2 ARG 70 1HG ARG 70 -3.892 -8.888 8.092 528 HG3 ARG 70 2HG ARG 70 -3.200 -7.271 7.943 529 HD2 ARG 70 1HD ARG 70 -5.039 -6.480 6.715 530 HD3 ARG 70 2HD ARG 70 -5.614 -8.110 6.369 531 HE ARG 70 HE ARG 70 -5.609 -7.607 9.160 532 HH11 ARG 70 1HH1 ARG 70 -7.353 -6.905 6.231 533 HH12 ARG 70 2HH1 ARG 70 -8.869 -6.668 7.036 534 HH21 ARG 70 1HH2 ARG 70 -7.598 -7.297 10.232 535 HH22 ARG 70 2HH2 ARG 70 -9.007 -6.890 9.311 536 H GLU 71 H GLU 71 -4.096 -11.637 3.961 537 HA GLU 71 HA GLU 71 -2.365 -11.166 1.861 538 HB2 GLU 71 1HB GLU 71 -5.105 -12.416 1.925 539 HB3 GLU 71 2HB GLU 71 -4.145 -12.350 0.454 540 HG2 GLU 71 1HG GLU 71 -2.428 -13.688 1.427 541 HG3 GLU 71 2HG GLU 71 -3.190 -13.605 3.014 542 H THR 72 H THR 72 -3.074 -10.539 -0.418 543 HA THR 72 HA THR 72 -4.246 -7.873 -0.261 544 HB THR 72 HB THR 72 -3.470 -7.748 -2.692 545 HG1 THR 72 HG1 THR 72 -1.878 -9.986 -1.977 546 HG21 THR 72 3HG2 THR 72 -1.689 -7.983 -0.305 547 HG22 THR 72 1HG2 THR 72 -2.116 -6.557 -1.250 548 HG23 THR 72 2HG2 THR 72 -0.972 -7.734 -1.897 Start of MODEL 5 1 H1 MET 1 H MET 1 -13.728 -2.764 -8.078 2 HA MET 1 HA MET 1 -13.841 -4.936 -6.951 3 HB2 MET 1 1HB MET 1 -16.256 -5.339 -7.061 4 HB3 MET 1 2HB MET 1 -15.903 -3.620 -6.946 5 HG2 MET 1 1HG MET 1 -16.473 -3.235 -9.179 6 HG3 MET 1 2HG MET 1 -16.386 -4.947 -9.586 7 HE1 MET 1 3HE MET 1 -18.329 -2.163 -9.334 8 HE2 MET 1 1HE MET 1 -19.987 -2.642 -8.969 9 HE3 MET 1 2HE MET 1 -18.882 -2.221 -7.660 10 H VAL 2 H VAL 2 -12.371 -5.530 -9.251 11 HA VAL 2 HA VAL 2 -13.675 -8.024 -10.124 12 HB VAL 2 HB VAL 2 -11.796 -6.369 -11.813 13 HG11 VAL 2 1HG1 VAL 2 -11.559 -8.412 -12.754 14 HG12 VAL 2 2HG1 VAL 2 -13.085 -9.011 -12.101 15 HG13 VAL 2 3HG1 VAL 2 -13.081 -7.979 -13.532 16 HG21 VAL 2 3HG2 VAL 2 -14.802 -6.602 -11.927 17 HG22 VAL 2 1HG2 VAL 2 -13.865 -5.157 -11.544 18 HG23 VAL 2 2HG2 VAL 2 -13.802 -5.845 -13.167 19 H SER 3 H SER 3 -12.648 -9.413 -8.755 20 HA SER 3 HA SER 3 -9.704 -9.470 -8.884 21 HB2 SER 3 1HB SER 3 -11.577 -10.259 -6.648 22 HB3 SER 3 2HB SER 3 -9.871 -10.705 -6.673 23 HG SER 3 HG SER 3 -11.042 -8.157 -6.441 24 H ARG 4 H ARG 4 -11.165 -10.670 -10.898 25 HA ARG 4 HA ARG 4 -11.663 -13.428 -10.394 26 HB2 ARG 4 1HB ARG 4 -11.491 -11.702 -12.825 27 HB3 ARG 4 2HB ARG 4 -11.428 -13.447 -13.026 28 HG2 ARG 4 1HG ARG 4 -13.603 -12.276 -11.369 29 HG3 ARG 4 2HG ARG 4 -13.701 -12.153 -13.127 30 HD2 ARG 4 1HD ARG 4 -13.253 -14.736 -11.641 31 HD3 ARG 4 2HD ARG 4 -14.840 -14.156 -12.146 32 HE ARG 4 HE ARG 4 -12.861 -15.396 -13.790 33 HH11 ARG 4 1HH1 ARG 4 -15.473 -13.093 -13.782 34 HH12 ARG 4 2HH1 ARG 4 -15.831 -13.297 -15.465 35 HH21 ARG 4 1HH2 ARG 4 -13.323 -15.672 -16.006 36 HH22 ARG 4 2HH2 ARG 4 -14.608 -14.765 -16.729 37 H ASP 5 H ASP 5 -8.982 -11.664 -11.915 38 HA ASP 5 HA ASP 5 -7.385 -14.131 -11.840 39 HB2 ASP 5 1HB ASP 5 -5.840 -12.804 -13.378 40 HB3 ASP 5 2HB ASP 5 -7.399 -13.279 -14.046 41 H GLN 6 H GLN 6 -4.972 -13.689 -11.484 42 HA GLN 6 HA GLN 6 -3.363 -13.193 -9.949 43 HB2 GLN 6 1HB GLN 6 -4.652 -10.514 -10.415 44 HB3 GLN 6 2HB GLN 6 -3.265 -10.697 -9.350 45 HG2 GLN 6 1HG GLN 6 -2.255 -10.120 -11.321 46 HG3 GLN 6 2HG GLN 6 -2.188 -11.880 -11.397 47 HE21 GLN 6 2HE2 GLN 6 -2.872 -12.785 -13.198 48 HE22 GLN 6 1HE2 GLN 6 -3.916 -12.060 -14.368 49 H ALA 7 H ALA 7 -5.768 -14.273 -8.880 50 HA ALA 7 HA ALA 7 -6.436 -12.817 -6.485 51 HB1 ALA 7 1HB ALA 7 -8.133 -14.299 -6.216 52 HB2 ALA 7 2HB ALA 7 -7.837 -14.557 -7.936 53 HB3 ALA 7 3HB ALA 7 -7.166 -15.675 -6.748 54 H HIS 8 H HIS 8 -4.179 -15.276 -7.408 55 HA HIS 8 HA HIS 8 -3.645 -16.112 -4.687 56 HB2 HIS 8 1HB HIS 8 -2.399 -16.819 -7.344 57 HB3 HIS 8 2HB HIS 8 -1.785 -17.431 -5.811 58 HD1 HIS 8 HD1 HIS 8 -4.284 -18.079 -8.386 59 HD2 HIS 8 HD2 HIS 8 -3.722 -19.089 -4.395 60 HE1 HIS 8 HE1 HIS 8 -5.824 -20.022 -7.960 61 H LEU 9 H LEU 9 -3.283 -13.562 -4.479 62 HA LEU 9 HA LEU 9 -0.585 -12.753 -5.147 63 HB2 LEU 9 1HB LEU 9 -2.935 -11.446 -3.845 64 HB3 LEU 9 2HB LEU 9 -1.332 -10.732 -3.679 65 HG LEU 9 HG LEU 9 -2.592 -11.313 -6.351 66 HD11 LEU 9 1HD1 LEU 9 -2.770 -8.649 -6.148 67 HD12 LEU 9 2HD1 LEU 9 -3.048 -9.089 -4.464 68 HD13 LEU 9 3HD1 LEU 9 -4.089 -9.742 -5.729 69 HD21 LEU 9 3HD2 LEU 9 -0.480 -10.875 -6.960 70 HD22 LEU 9 1HD2 LEU 9 -0.072 -10.165 -5.398 71 HD23 LEU 9 2HD2 LEU 9 -0.896 -9.195 -6.619 72 H GLY 10 H GLY 10 0.565 -11.510 -3.226 73 HA2 GLY 10 1HA GLY 10 0.398 -13.105 -0.764 74 HA3 GLY 10 2HA GLY 10 1.936 -13.015 -1.610 75 HA PRO 11 HA PRO 11 1.001 -8.540 -0.015 76 HB2 PRO 11 1HB PRO 11 -1.081 -8.285 1.709 77 HB3 PRO 11 2HB PRO 11 -1.256 -8.113 -0.041 78 HG2 PRO 11 1HG PRO 11 -1.856 -10.473 1.700 79 HG3 PRO 11 2HG PRO 11 -2.802 -9.805 0.357 80 HD2 PRO 11 1HD PRO 11 -1.219 -11.984 0.081 81 HD3 PRO 11 2HD PRO 11 -1.494 -10.830 -1.240 82 H LYS 12 H LYS 12 0.757 -7.553 2.405 83 HA LYS 12 HA LYS 12 2.690 -9.020 3.952 84 HB2 LYS 12 1HB LYS 12 1.589 -6.311 3.906 85 HB3 LYS 12 2HB LYS 12 1.853 -6.918 5.536 86 HG2 LYS 12 1HG LYS 12 4.105 -6.921 5.322 87 HG3 LYS 12 2HG LYS 12 4.053 -7.309 3.601 88 HD2 LYS 12 1HD LYS 12 3.295 -4.625 4.748 89 HD3 LYS 12 2HD LYS 12 4.900 -5.014 4.125 90 HE2 LYS 12 1HE LYS 12 3.638 -5.726 1.985 91 HE3 LYS 12 2HE LYS 12 2.302 -4.787 2.649 92 HZ1 LYS 12 3HZ LYS 12 4.429 -3.123 2.903 93 HZ2 LYS 12 1HZ LYS 12 3.278 -3.062 1.664 94 HZ3 LYS 12 2HZ LYS 12 4.736 -3.887 1.425 95 H TYR 13 H TYR 13 2.407 -9.494 6.248 96 HA TYR 13 HA TYR 13 -0.366 -10.279 6.863 97 HB2 TYR 13 1HB TYR 13 2.244 -11.656 7.482 98 HB3 TYR 13 2HB TYR 13 0.746 -12.061 8.313 99 HD1 TYR 13 HD1 TYR 13 2.143 -11.737 4.866 100 HD2 TYR 13 HD2 TYR 13 -0.623 -13.709 7.428 101 HE1 TYR 13 HE1 TYR 13 1.551 -13.271 3.036 102 HE2 TYR 13 HE2 TYR 13 -1.221 -15.250 5.606 103 HH TYR 13 HH TYR 13 0.579 -15.413 2.672 104 H VAL 14 H VAL 14 -1.177 -9.868 8.883 105 HA VAL 14 HA VAL 14 0.574 -8.618 10.869 106 HB VAL 14 HB VAL 14 -0.593 -6.862 9.406 107 HG11 VAL 14 1HG1 VAL 14 -2.822 -8.331 9.890 108 HG12 VAL 14 2HG1 VAL 14 -2.978 -7.062 11.106 109 HG13 VAL 14 3HG1 VAL 14 -2.829 -6.637 9.400 110 HG21 VAL 14 3HG2 VAL 14 -1.399 -6.371 12.204 111 HG22 VAL 14 1HG2 VAL 14 0.292 -6.796 11.939 112 HG23 VAL 14 2HG2 VAL 14 -0.404 -5.397 11.121 113 H GLY 15 H GLY 15 -0.333 -8.565 13.017 114 HA2 GLY 15 1HA GLY 15 -2.614 -9.242 14.119 115 HA3 GLY 15 2HA GLY 15 -2.175 -10.804 13.442 116 H LEU 16 H LEU 16 -0.365 -8.256 15.159 117 HA LEU 16 HA LEU 16 0.384 -10.273 17.165 118 HB2 LEU 16 1HB LEU 16 2.111 -8.524 15.508 119 HB3 LEU 16 2HB LEU 16 2.576 -8.756 17.192 120 HG LEU 16 HG LEU 16 2.742 -11.152 16.846 121 HD11 LEU 16 1HD1 LEU 16 1.305 -11.931 15.294 122 HD12 LEU 16 2HD1 LEU 16 2.680 -11.698 14.215 123 HD13 LEU 16 3HD1 LEU 16 1.412 -10.476 14.303 124 HD21 LEU 16 3HD2 LEU 16 4.222 -9.369 14.940 125 HD22 LEU 16 1HD2 LEU 16 4.555 -11.099 15.035 126 HD23 LEU 16 2HD2 LEU 16 4.779 -10.079 16.456 127 H TRP 17 H TRP 17 -1.428 -9.233 18.308 128 HA TRP 17 HA TRP 17 -1.685 -6.623 19.049 129 HB2 TRP 17 1HB TRP 17 -2.150 -9.131 20.661 130 HB3 TRP 17 2HB TRP 17 -2.589 -7.531 21.255 131 HD1 TRP 17 HD1 TRP 17 -4.391 -6.153 19.587 132 HE1 TRP 17 HE1 TRP 17 -6.421 -7.107 18.325 133 HE3 TRP 17 HE3 TRP 17 -3.086 -11.096 19.568 134 HZ2 TRP 17 HZ2 TRP 17 -7.347 -9.622 17.440 135 HZ3 TRP 17 HZ3 TRP 17 -4.599 -12.711 18.493 136 HH2 TRP 17 HH2 TRP 17 -6.685 -11.987 17.452 137 H ASP 18 H ASP 18 -1.131 -5.505 21.070 138 HA ASP 18 HA ASP 18 1.567 -5.186 21.454 139 HB2 ASP 18 1HB ASP 18 0.951 -4.136 23.661 140 HB3 ASP 18 2HB ASP 18 0.057 -3.521 22.273 141 H PHE 19 H PHE 19 2.874 -6.888 21.827 142 HA PHE 19 HA PHE 19 2.667 -8.185 24.420 143 HB2 PHE 19 1HB PHE 19 1.468 -9.549 22.531 144 HB3 PHE 19 2HB PHE 19 3.110 -9.969 22.053 145 HD1 PHE 19 HD2 PHE 19 4.636 -10.790 24.058 146 HD2 PHE 19 HD1 PHE 19 0.383 -10.934 23.997 147 HE1 PHE 19 HE2 PHE 19 4.676 -12.569 25.757 148 HE2 PHE 19 HE1 PHE 19 0.415 -12.713 25.697 149 HZ PHE 19 HZ PHE 19 2.563 -13.534 26.578 150 H LYS 20 H LYS 20 4.599 -8.048 25.327 151 HA LYS 20 HA LYS 20 6.979 -8.095 23.589 152 HB2 LYS 20 1HB LYS 20 6.731 -6.755 26.286 153 HB3 LYS 20 2HB LYS 20 8.098 -6.662 25.183 154 HG2 LYS 20 1HG LYS 20 5.345 -5.532 24.728 155 HG3 LYS 20 2HG LYS 20 6.819 -4.626 25.078 156 HD2 LYS 20 1HD LYS 20 7.499 -6.170 22.886 157 HD3 LYS 20 2HD LYS 20 5.836 -5.682 22.554 158 HE2 LYS 20 1HE LYS 20 8.188 -3.894 23.148 159 HE3 LYS 20 2HE LYS 20 7.310 -4.036 21.626 160 HZ1 LYS 20 3HZ LYS 20 5.302 -3.286 22.977 161 HZ2 LYS 20 1HZ LYS 20 6.470 -2.119 22.607 162 HZ3 LYS 20 2HZ LYS 20 6.415 -2.799 24.154 163 H SER 21 H SER 21 7.631 -10.178 23.695 164 HA SER 21 HA SER 21 7.631 -11.605 26.220 165 HB2 SER 21 1HB SER 21 7.337 -12.409 23.605 166 HB3 SER 21 2HB SER 21 8.999 -12.882 23.960 167 HG SER 21 HG SER 21 7.869 -14.572 24.680 168 H ARG 22 H ARG 22 9.848 -13.158 26.122 169 HA ARG 22 HA ARG 22 12.137 -11.326 26.033 170 HB2 ARG 22 1HB ARG 22 12.901 -11.978 28.209 171 HB3 ARG 22 2HB ARG 22 11.232 -11.446 28.363 172 HG2 ARG 22 1HG ARG 22 11.119 -14.206 27.886 173 HG3 ARG 22 2HG ARG 22 12.410 -13.959 29.064 174 HD2 ARG 22 1HD ARG 22 10.537 -12.321 30.080 175 HD3 ARG 22 2HD ARG 22 9.500 -13.520 29.308 176 HE ARG 22 HE ARG 22 11.560 -14.698 30.909 177 HH11 ARG 22 1HH1 ARG 22 8.391 -13.259 30.980 178 HH12 ARG 22 2HH1 ARG 22 7.910 -14.075 32.431 179 HH21 ARG 22 1HH2 ARG 22 10.939 -15.778 32.820 180 HH22 ARG 22 2HH2 ARG 22 9.361 -15.507 33.477 181 H THR 23 H THR 23 11.144 -13.621 24.401 182 HA THR 23 HA THR 23 13.667 -15.081 24.333 183 HB THR 23 HB THR 23 11.932 -17.141 23.846 184 HG1 THR 23 HG1 THR 23 10.573 -17.011 25.840 185 HG21 THR 23 3HG2 THR 23 14.033 -17.051 25.252 186 HG22 THR 23 1HG2 THR 23 12.751 -18.097 25.860 187 HG23 THR 23 2HG2 THR 23 13.014 -16.511 26.586 188 H ASP 24 H ASP 24 14.067 -16.146 22.325 189 HA ASP 24 HA ASP 24 13.239 -14.720 20.066 190 HB2 ASP 24 1HB ASP 24 14.299 -17.543 19.989 191 HB3 ASP 24 2HB ASP 24 14.494 -16.276 18.781 192 H GLU 25 H GLU 25 11.766 -17.340 21.732 193 HA GLU 25 HA GLU 25 10.272 -18.492 19.647 194 HB2 GLU 25 1HB GLU 25 9.346 -18.272 22.507 195 HB3 GLU 25 2HB GLU 25 8.961 -19.529 21.339 196 HG2 GLU 25 1HG GLU 25 11.401 -20.135 21.353 197 HG3 GLU 25 2HG GLU 25 11.581 -19.043 22.724 198 H GLU 26 H GLU 26 10.020 -15.459 21.167 199 HA GLU 26 HA GLU 26 7.493 -14.964 19.766 200 HB2 GLU 26 1HB GLU 26 8.045 -14.590 22.675 201 HB3 GLU 26 2HB GLU 26 7.017 -13.418 21.863 202 HG2 GLU 26 1HG GLU 26 5.883 -15.692 21.001 203 HG3 GLU 26 2HG GLU 26 6.503 -16.232 22.560 204 H LEU 27 H LEU 27 7.087 -12.695 19.334 205 HA LEU 27 HA LEU 27 9.595 -11.231 18.952 206 HB2 LEU 27 1HB LEU 27 6.970 -10.403 17.787 207 HB3 LEU 27 2HB LEU 27 8.600 -10.126 17.174 208 HG LEU 27 HG LEU 27 8.483 -12.806 16.970 209 HD11 LEU 27 1HD1 LEU 27 6.359 -13.378 17.538 210 HD12 LEU 27 2HD1 LEU 27 6.100 -13.026 15.830 211 HD13 LEU 27 3HD1 LEU 27 5.687 -11.822 17.049 212 HD21 LEU 27 3HD2 LEU 27 7.249 -11.080 14.849 213 HD22 LEU 27 1HD2 LEU 27 8.299 -12.485 14.664 214 HD23 LEU 27 2HD2 LEU 27 8.962 -10.962 15.256 215 H SER 28 H SER 28 9.676 -8.940 19.355 216 HA SER 28 HA SER 28 7.908 -8.134 21.568 217 HB2 SER 28 1HB SER 28 9.769 -6.674 22.309 218 HB3 SER 28 2HB SER 28 10.232 -8.375 22.274 219 HG SER 28 HG SER 28 11.857 -7.232 21.294 220 H PHE 29 H PHE 29 6.360 -7.321 20.040 221 HA PHE 29 HA PHE 29 6.819 -4.557 19.401 222 HB2 PHE 29 1HB PHE 29 7.461 -6.378 17.409 223 HB3 PHE 29 2HB PHE 29 5.831 -5.863 16.988 224 HD1 PHE 29 HD2 PHE 29 9.302 -4.786 17.449 225 HD2 PHE 29 HD1 PHE 29 5.379 -3.614 16.283 226 HE1 PHE 29 HE2 PHE 29 10.214 -2.724 16.465 227 HE2 PHE 29 HE1 PHE 29 6.285 -1.550 15.296 228 HZ PHE 29 HZ PHE 29 8.705 -1.102 15.388 229 H ARG 30 H ARG 30 4.841 -3.524 18.506 230 HA ARG 30 HA ARG 30 2.488 -4.728 19.746 231 HB2 ARG 30 1HB ARG 30 1.488 -2.537 19.615 232 HB3 ARG 30 2HB ARG 30 3.110 -2.381 20.275 233 HG2 ARG 30 1HG ARG 30 3.931 -1.663 18.086 234 HG3 ARG 30 2HG ARG 30 2.298 -1.810 17.433 235 HD2 ARG 30 1HD ARG 30 3.164 0.037 19.655 236 HD3 ARG 30 2HD ARG 30 2.825 0.508 17.990 237 HE ARG 30 HE ARG 30 0.560 -0.775 18.969 238 HH11 ARG 30 1HH1 ARG 30 2.405 2.107 19.610 239 HH12 ARG 30 2HH1 ARG 30 1.044 3.007 20.191 240 HH21 ARG 30 1HH2 ARG 30 -1.240 0.399 19.732 241 HH22 ARG 30 2HH2 ARG 30 -1.029 2.034 20.261 242 H ALA 31 H ALA 31 0.363 -4.345 18.583 243 HA ALA 31 HA ALA 31 0.453 -5.659 16.066 244 HB1 ALA 31 1HB ALA 31 -1.610 -4.743 17.928 245 HB2 ALA 31 2HB ALA 31 -2.095 -4.703 16.233 246 HB3 ALA 31 3HB ALA 31 -1.529 -6.210 16.953 247 H GLY 32 H GLY 32 -0.811 -4.774 14.146 248 HA2 GLY 32 1HA GLY 32 -1.388 -2.983 12.726 249 HA3 GLY 32 2HA GLY 32 -0.569 -1.880 13.822 250 H ASP 33 H ASP 33 1.794 -3.744 13.873 251 HA ASP 33 HA ASP 33 3.192 -2.529 11.684 252 HB2 ASP 33 1HB ASP 33 3.874 -3.959 14.119 253 HB3 ASP 33 2HB ASP 33 4.855 -4.494 12.757 254 H VAL 34 H VAL 34 4.358 -3.661 10.032 255 HA VAL 34 HA VAL 34 2.855 -5.937 9.009 256 HB VAL 34 HB VAL 34 4.034 -5.580 6.918 257 HG11 VAL 34 1HG1 VAL 34 2.075 -4.239 7.238 258 HG12 VAL 34 2HG1 VAL 34 2.984 -3.047 8.170 259 HG13 VAL 34 3HG1 VAL 34 3.299 -3.247 6.445 260 HG21 VAL 34 3HG2 VAL 34 5.630 -3.575 8.498 261 HG22 VAL 34 1HG2 VAL 34 6.221 -4.995 7.636 262 HG23 VAL 34 2HG2 VAL 34 5.597 -3.613 6.736 263 H PHE 35 H PHE 35 3.700 -7.943 8.599 264 HA PHE 35 HA PHE 35 6.488 -8.432 9.385 265 HB2 PHE 35 1HB PHE 35 4.363 -10.419 10.110 266 HB3 PHE 35 2HB PHE 35 5.959 -10.190 10.817 267 HD1 PHE 35 HD1 PHE 35 6.204 -7.625 11.772 268 HD2 PHE 35 HD2 PHE 35 2.631 -9.924 11.512 269 HE1 PHE 35 HE1 PHE 35 5.211 -6.281 13.578 270 HE2 PHE 35 HE2 PHE 35 1.633 -8.583 13.316 271 HZ PHE 35 HZ PHE 35 2.923 -6.758 14.352 272 H HIS 36 H HIS 36 7.261 -10.605 8.653 273 HA HIS 36 HA HIS 36 5.855 -11.606 6.286 274 HB2 HIS 36 1HB HIS 36 8.575 -10.376 6.361 275 HB3 HIS 36 2HB HIS 36 8.302 -11.736 5.277 276 HD1 HIS 36 HD1 HIS 36 8.855 -8.707 4.430 277 HD2 HIS 36 HD2 HIS 36 5.179 -10.643 4.457 278 HE1 HIS 36 HE1 HIS 36 7.420 -7.448 2.793 279 H VAL 37 H VAL 37 6.211 -13.764 5.819 280 HA VAL 37 HA VAL 37 7.298 -15.326 8.012 281 HB VAL 37 HB VAL 37 6.014 -16.340 5.475 282 HG11 VAL 37 1HG1 VAL 37 5.879 -17.791 8.054 283 HG12 VAL 37 2HG1 VAL 37 5.999 -18.412 6.407 284 HG13 VAL 37 3HG1 VAL 37 7.431 -17.774 7.217 285 HG21 VAL 37 3HG2 VAL 37 4.051 -16.633 7.215 286 HG22 VAL 37 1HG2 VAL 37 4.837 -15.253 7.981 287 HG23 VAL 37 2HG2 VAL 37 4.264 -15.130 6.318 288 H ALA 38 H ALA 38 9.237 -16.258 8.023 289 HA ALA 38 HA ALA 38 10.831 -16.188 5.561 290 HB1 ALA 38 1HB ALA 38 12.318 -16.987 7.889 291 HB2 ALA 38 2HB ALA 38 12.539 -15.583 6.845 292 HB3 ALA 38 3HB ALA 38 11.421 -15.502 8.206 293 H ARG 39 H ARG 39 9.438 -18.353 7.902 294 HA ARG 39 HA ARG 39 10.260 -20.619 6.246 295 HB2 ARG 39 1HB ARG 39 11.011 -20.153 9.074 296 HB3 ARG 39 2HB ARG 39 10.477 -21.778 8.669 297 HG2 ARG 39 1HG ARG 39 12.690 -22.027 8.267 298 HG3 ARG 39 2HG ARG 39 12.197 -21.436 6.679 299 HD2 ARG 39 1HD ARG 39 13.147 -19.381 6.998 300 HD3 ARG 39 2HD ARG 39 12.934 -19.435 8.747 301 HE ARG 39 HE ARG 39 15.215 -20.306 7.267 302 HH11 ARG 39 1HH1 ARG 39 13.351 -20.868 10.153 303 HH12 ARG 39 2HH1 ARG 39 14.680 -21.543 11.036 304 HH21 ARG 39 1HH2 ARG 39 16.973 -21.192 8.420 305 HH22 ARG 39 2HH2 ARG 39 16.740 -21.726 10.050 306 H LYS 40 H LYS 40 8.644 -22.009 5.891 307 HA LYS 40 HA LYS 40 6.183 -21.672 7.463 308 HB2 LYS 40 1HB LYS 40 5.121 -22.864 5.483 309 HB3 LYS 40 2HB LYS 40 5.726 -21.240 5.185 310 HG2 LYS 40 1HG LYS 40 7.742 -22.172 4.171 311 HG3 LYS 40 2HG LYS 40 7.138 -23.803 4.472 312 HD2 LYS 40 1HD LYS 40 5.765 -21.728 2.763 313 HD3 LYS 40 2HD LYS 40 6.752 -23.057 2.150 314 HE2 LYS 40 1HE LYS 40 5.206 -24.660 3.193 315 HE3 LYS 40 2HE LYS 40 4.212 -23.318 3.758 316 HZ1 LYS 40 3HZ LYS 40 4.052 -22.675 1.328 317 HZ2 LYS 40 1HZ LYS 40 3.199 -24.057 1.803 318 HZ3 LYS 40 2HZ LYS 40 4.666 -24.211 0.976 319 H GLU 41 H GLU 41 5.900 -23.152 8.989 320 HA GLU 41 HA GLU 41 6.886 -25.883 8.505 321 HB2 GLU 41 1HB GLU 41 7.489 -24.256 10.598 322 HB3 GLU 41 2HB GLU 41 6.106 -25.126 11.248 323 HG2 GLU 41 1HG GLU 41 8.236 -26.185 11.824 324 HG3 GLU 41 2HG GLU 41 7.200 -27.240 10.864 325 H GLU 42 H GLU 42 5.589 -27.648 9.402 326 HA GLU 42 HA GLU 42 2.843 -27.370 8.666 327 HB2 GLU 42 1HB GLU 42 2.656 -29.711 9.070 328 HB3 GLU 42 2HB GLU 42 4.235 -29.443 8.346 329 HG2 GLU 42 1HG GLU 42 5.291 -29.609 10.519 330 HG3 GLU 42 2HG GLU 42 3.717 -29.801 11.289 331 H GLN 43 H GLN 43 4.559 -26.851 11.539 332 HA GLN 43 HA GLN 43 2.148 -27.189 13.183 333 HB2 GLN 43 1HB GLN 43 5.051 -26.895 13.969 334 HB3 GLN 43 2HB GLN 43 3.719 -26.973 15.115 335 HG2 GLN 43 1HG GLN 43 3.185 -29.203 13.820 336 HG3 GLN 43 2HG GLN 43 4.901 -29.109 13.426 337 HE21 GLN 43 2HE2 GLN 43 6.185 -30.119 14.778 338 HE22 GLN 43 1HE2 GLN 43 5.878 -30.423 16.451 339 H TRP 44 H TRP 44 4.933 -24.997 13.454 340 HA TRP 44 HA TRP 44 3.025 -22.769 13.729 341 HB2 TRP 44 1HB TRP 44 5.833 -22.874 14.839 342 HB3 TRP 44 2HB TRP 44 4.588 -21.679 15.190 343 HD1 TRP 44 HD1 TRP 44 6.187 -24.282 16.939 344 HE1 TRP 44 HE1 TRP 44 4.670 -25.421 18.678 345 HE3 TRP 44 HE3 TRP 44 1.646 -22.657 15.244 346 HZ2 TRP 44 HZ2 TRP 44 1.913 -25.608 19.255 347 HZ3 TRP 44 HZ3 TRP 44 -0.382 -23.362 16.445 348 HH2 TRP 44 HH2 TRP 44 -0.249 -24.807 18.409 349 H TRP 45 H TRP 45 3.727 -20.677 12.933 350 HA TRP 45 HA TRP 45 5.394 -20.960 10.530 351 HB2 TRP 45 1HB TRP 45 2.980 -19.394 11.191 352 HB3 TRP 45 2HB TRP 45 4.189 -18.541 10.234 353 HD1 TRP 45 HD1 TRP 45 5.033 -20.096 7.963 354 HE1 TRP 45 HE1 TRP 45 3.496 -21.333 6.310 355 HE3 TRP 45 HE3 TRP 45 0.846 -20.470 10.873 356 HZ2 TRP 45 HZ2 TRP 45 0.858 -22.333 6.248 357 HZ3 TRP 45 HZ3 TRP 45 -1.142 -21.581 9.941 358 HH2 TRP 45 HH2 TRP 45 -1.134 -22.492 7.677 359 H TRP 46 H TRP 46 7.264 -19.894 10.340 360 HA TRP 46 HA TRP 46 8.223 -18.357 12.589 361 HB2 TRP 46 1HB TRP 46 9.549 -19.108 9.976 362 HB3 TRP 46 2HB TRP 46 10.354 -18.289 11.312 363 HD1 TRP 46 HD1 TRP 46 8.403 -21.614 10.792 364 HE1 TRP 46 HE1 TRP 46 9.555 -23.429 12.207 365 HE3 TRP 46 HE3 TRP 46 12.026 -18.753 12.987 366 HZ2 TRP 46 HZ2 TRP 46 11.714 -23.622 14.015 367 HZ3 TRP 46 HZ3 TRP 46 13.595 -19.829 14.548 368 HH2 TRP 46 HH2 TRP 46 13.440 -22.214 15.050 369 H ALA 47 H ALA 47 8.137 -16.221 12.774 370 HA ALA 47 HA ALA 47 7.595 -14.629 10.354 371 HB1 ALA 47 1HB ALA 47 6.270 -13.193 11.578 372 HB2 ALA 47 2HB ALA 47 5.926 -14.741 12.350 373 HB3 ALA 47 3HB ALA 47 7.046 -13.608 13.106 374 H THR 48 H THR 48 8.599 -12.564 10.159 375 HA THR 48 HA THR 48 11.018 -12.217 11.804 376 HB THR 48 HB THR 48 10.876 -11.715 8.826 377 HG1 THR 48 HG1 THR 48 10.860 -13.984 9.468 378 HG21 THR 48 3HG2 THR 48 12.561 -10.600 10.674 379 HG22 THR 48 1HG2 THR 48 12.928 -10.809 8.963 380 HG23 THR 48 2HG2 THR 48 13.479 -12.006 10.135 381 H LEU 49 H LEU 49 11.098 -10.298 12.758 382 HA LEU 49 HA LEU 49 9.216 -8.232 12.060 383 HB2 LEU 49 1HB LEU 49 10.770 -8.955 14.333 384 HB3 LEU 49 2HB LEU 49 11.142 -7.284 13.914 385 HG LEU 49 HG LEU 49 9.330 -7.602 15.625 386 HD11 LEU 49 1HD1 LEU 49 8.291 -5.689 14.964 387 HD12 LEU 49 2HD1 LEU 49 8.096 -6.235 13.299 388 HD13 LEU 49 3HD1 LEU 49 9.665 -5.658 13.858 389 HD21 LEU 49 3HD2 LEU 49 7.517 -8.832 15.223 390 HD22 LEU 49 1HD2 LEU 49 8.370 -9.458 13.812 391 HD23 LEU 49 2HD2 LEU 49 7.270 -8.089 13.642 392 H LEU 50 H LEU 50 9.577 -6.850 10.465 393 HA LEU 50 HA LEU 50 12.350 -6.025 9.912 394 HB2 LEU 50 1HB LEU 50 10.282 -5.517 7.878 395 HB3 LEU 50 2HB LEU 50 11.947 -6.064 7.692 396 HG LEU 50 HG LEU 50 9.615 -7.799 8.504 397 HD11 LEU 50 1HD1 LEU 50 9.651 -8.698 6.321 398 HD12 LEU 50 2HD1 LEU 50 11.138 -7.843 5.912 399 HD13 LEU 50 3HD1 LEU 50 9.636 -6.945 6.129 400 HD21 LEU 50 3HD2 LEU 50 12.314 -8.759 7.639 401 HD22 LEU 50 1HD2 LEU 50 11.066 -9.606 8.553 402 HD23 LEU 50 2HD2 LEU 50 12.010 -8.330 9.323 403 H ASP 51 H ASP 51 12.724 -3.823 9.322 404 HA ASP 51 HA ASP 51 11.250 -1.974 10.911 405 HB2 ASP 51 1HB ASP 51 13.789 -2.020 9.974 406 HB3 ASP 51 2HB ASP 51 13.055 -0.908 8.823 407 H GLU 52 H GLU 52 10.729 0.258 9.776 408 HA GLU 52 HA GLU 52 8.421 -0.115 8.260 409 HB2 GLU 52 1HB GLU 52 8.412 2.287 7.939 410 HB3 GLU 52 2HB GLU 52 8.910 1.915 9.583 411 HG2 GLU 52 1HG GLU 52 11.316 2.062 8.521 412 HG3 GLU 52 2HG GLU 52 10.475 3.061 7.337 413 H ALA 53 H ALA 53 11.745 0.303 7.281 414 HA ALA 53 HA ALA 53 11.135 0.791 4.513 415 HB1 ALA 53 1HB ALA 53 13.167 1.696 4.881 416 HB2 ALA 53 2HB ALA 53 13.569 0.547 6.157 417 HB3 ALA 53 3HB ALA 53 13.730 0.077 4.465 418 H GLY 54 H GLY 54 11.379 -1.973 6.510 419 HA2 GLY 54 1HA GLY 54 10.513 -4.063 5.637 420 HA3 GLY 54 2HA GLY 54 11.294 -3.684 4.109 421 H GLY 55 H GLY 55 13.573 -2.722 6.099 422 HA2 GLY 55 1HA GLY 55 15.216 -4.993 5.700 423 HA3 GLY 55 2HA GLY 55 15.609 -3.601 6.698 424 H ALA 56 H ALA 56 15.360 -6.815 6.813 425 HA ALA 56 HA ALA 56 13.797 -7.514 8.973 426 HB1 ALA 56 1HB ALA 56 15.491 -9.340 9.353 427 HB2 ALA 56 2HB ALA 56 14.841 -9.230 7.717 428 HB3 ALA 56 3HB ALA 56 16.451 -8.604 8.070 429 H VAL 57 H VAL 57 14.264 -7.856 11.206 430 HA VAL 57 HA VAL 57 16.566 -6.447 12.318 431 HB VAL 57 HB VAL 57 13.777 -5.844 13.300 432 HG11 VAL 57 1HG1 VAL 57 14.908 -5.143 15.090 433 HG12 VAL 57 2HG1 VAL 57 16.461 -5.299 14.266 434 HG13 VAL 57 3HG1 VAL 57 15.502 -3.830 14.074 435 HG21 VAL 57 3HG2 VAL 57 14.008 -4.919 11.077 436 HG22 VAL 57 1HG2 VAL 57 14.080 -3.621 12.269 437 HG23 VAL 57 2HG2 VAL 57 15.560 -4.200 11.505 438 H ALA 58 H ALA 58 13.496 -7.838 13.494 439 HA ALA 58 HA ALA 58 15.074 -9.514 15.332 440 HB1 ALA 58 1HB ALA 58 12.168 -8.979 15.753 441 HB2 ALA 58 2HB ALA 58 13.430 -9.332 16.934 442 HB3 ALA 58 3HB ALA 58 13.354 -7.743 16.174 443 H GLN 59 H GLN 59 14.138 -11.642 15.850 444 HA GLN 59 HA GLN 59 12.531 -12.762 13.659 445 HB2 GLN 59 1HB GLN 59 14.867 -14.224 14.879 446 HB3 GLN 59 2HB GLN 59 13.952 -14.656 13.441 447 HG2 GLN 59 1HG GLN 59 15.775 -13.781 12.436 448 HG3 GLN 59 2HG GLN 59 14.842 -12.297 12.627 449 HE21 GLN 59 2HE2 GLN 59 17.218 -11.614 12.331 450 HE22 GLN 59 1HE2 GLN 59 18.095 -11.330 13.793 451 H GLY 60 H GLY 60 10.867 -13.969 14.321 452 HA2 GLY 60 1HA GLY 60 10.959 -15.568 16.697 453 HA3 GLY 60 2HA GLY 60 9.983 -14.122 16.911 454 H TYR 61 H TYR 61 9.479 -17.159 16.640 455 HA TYR 61 HA TYR 61 7.584 -17.124 14.412 456 HB2 TYR 61 1HB TYR 61 7.388 -19.559 14.838 457 HB3 TYR 61 2HB TYR 61 9.045 -19.059 14.519 458 HD1 TYR 61 HD1 TYR 61 6.691 -19.890 17.274 459 HD2 TYR 61 HD2 TYR 61 10.751 -19.558 16.045 460 HE1 TYR 61 HE1 TYR 61 7.408 -20.951 19.374 461 HE2 TYR 61 HE2 TYR 61 11.479 -20.618 18.141 462 HH TYR 61 HH TYR 61 9.376 -22.238 20.209 463 H VAL 62 H VAL 62 5.401 -17.897 14.720 464 HA VAL 62 HA VAL 62 4.341 -17.947 17.419 465 HB VAL 62 HB VAL 62 2.570 -16.222 16.773 466 HG11 VAL 62 1HG1 VAL 62 4.451 -15.906 18.409 467 HG12 VAL 62 2HG1 VAL 62 5.360 -15.138 17.106 468 HG13 VAL 62 3HG1 VAL 62 3.846 -14.426 17.666 469 HG21 VAL 62 3HG2 VAL 62 4.688 -15.511 14.745 470 HG22 VAL 62 1HG2 VAL 62 3.063 -16.101 14.397 471 HG23 VAL 62 2HG2 VAL 62 3.285 -14.521 15.148 472 HA PRO 63 HA PRO 63 1.430 -20.716 15.649 473 HB2 PRO 63 1HB PRO 63 -0.737 -20.302 17.231 474 HB3 PRO 63 2HB PRO 63 0.712 -21.146 17.789 475 HG2 PRO 63 1HG PRO 63 -0.108 -18.301 18.227 476 HG3 PRO 63 2HG PRO 63 0.594 -19.453 19.378 477 HD2 PRO 63 1HD PRO 63 2.065 -17.536 18.156 478 HD3 PRO 63 2HD PRO 63 2.737 -19.118 18.600 479 H HIS 64 H HIS 64 -0.362 -20.851 14.284 480 HA HIS 64 HA HIS 64 -0.941 -18.638 12.694 481 HB2 HIS 64 1HB HIS 64 -2.887 -20.048 11.875 482 HB3 HIS 64 2HB HIS 64 -1.298 -20.800 11.773 483 HD1 HIS 64 HD1 HIS 64 -0.924 -22.927 13.093 484 HD2 HIS 64 HD2 HIS 64 -4.574 -21.121 13.916 485 HE1 HIS 64 HE1 HIS 64 -2.207 -24.599 14.465 486 H ASN 65 H ASN 65 -2.312 -19.652 15.694 487 HA ASN 65 HA ASN 65 -4.783 -18.237 15.453 488 HB2 ASN 65 1HB ASN 65 -3.301 -19.386 17.821 489 HB3 ASN 65 2HB ASN 65 -4.856 -18.574 17.970 490 HD21 ASN 65 2HD2 ASN 65 -6.684 -19.503 16.941 491 HD22 ASN 65 1HD2 ASN 65 -6.731 -21.194 16.592 492 H TYR 66 H TYR 66 -1.561 -17.339 16.185 493 HA TYR 66 HA TYR 66 -2.197 -14.997 17.719 494 HB2 TYR 66 1HB TYR 66 0.041 -16.437 17.533 495 HB3 TYR 66 2HB TYR 66 0.412 -15.235 16.302 496 HD1 TYR 66 HD2 TYR 66 -1.130 -15.174 19.715 497 HD2 TYR 66 HD1 TYR 66 1.776 -13.549 17.064 498 HE1 TYR 66 HE2 TYR 66 -0.414 -13.606 21.469 499 HE2 TYR 66 HE1 TYR 66 2.500 -11.978 18.812 500 HH TYR 66 HH TYR 66 1.282 -10.921 20.957 501 H LEU 67 H LEU 67 -0.613 -15.331 14.539 502 HA LEU 67 HA LEU 67 -1.644 -12.691 13.809 503 HB2 LEU 67 1HB LEU 67 0.085 -12.501 12.318 504 HB3 LEU 67 2HB LEU 67 0.819 -13.499 13.571 505 HG LEU 67 HG LEU 67 -0.330 -14.557 10.989 506 HD11 LEU 67 1HD1 LEU 67 1.962 -14.836 10.263 507 HD12 LEU 67 2HD1 LEU 67 2.551 -14.119 11.762 508 HD13 LEU 67 3HD1 LEU 67 1.641 -13.137 10.614 509 HD21 LEU 67 3HD2 LEU 67 -0.393 -16.371 12.382 510 HD22 LEU 67 1HD2 LEU 67 0.937 -15.789 13.384 511 HD23 LEU 67 2HD2 LEU 67 1.268 -16.488 11.799 512 H ALA 68 H ALA 68 -2.470 -12.376 11.602 513 HA ALA 68 HA ALA 68 -3.623 -14.752 10.352 514 HB1 ALA 68 1HB ALA 68 -5.855 -13.841 10.297 515 HB2 ALA 68 2HB ALA 68 -5.300 -13.928 11.970 516 HB3 ALA 68 3HB ALA 68 -5.315 -12.380 11.125 517 H GLU 69 H GLU 69 -4.087 -14.519 8.162 518 HA GLU 69 HA GLU 69 -2.527 -12.627 6.757 519 HB2 GLU 69 1HB GLU 69 -3.327 -13.648 4.772 520 HB3 GLU 69 2HB GLU 69 -3.195 -14.934 5.963 521 HG2 GLU 69 1HG GLU 69 -5.670 -14.559 6.409 522 HG3 GLU 69 2HG GLU 69 -5.672 -13.597 4.932 523 H ARG 70 H ARG 70 -3.079 -10.803 5.617 524 HA ARG 70 HA ARG 70 -5.828 -9.808 5.985 525 HB2 ARG 70 1HB ARG 70 -3.233 -8.554 6.639 526 HB3 ARG 70 2HB ARG 70 -4.397 -7.512 5.832 527 HG2 ARG 70 1HG ARG 70 -4.987 -9.084 8.329 528 HG3 ARG 70 2HG ARG 70 -4.465 -7.398 8.311 529 HD2 ARG 70 1HD ARG 70 -6.442 -6.884 6.874 530 HD3 ARG 70 2HD ARG 70 -6.986 -8.543 7.120 531 HE ARG 70 HE ARG 70 -6.584 -7.501 9.637 532 HH11 ARG 70 1HH1 ARG 70 -8.563 -6.754 6.872 533 HH12 ARG 70 2HH1 ARG 70 -9.848 -6.071 7.813 534 HH21 ARG 70 1HH2 ARG 70 -8.269 -6.605 10.887 535 HH22 ARG 70 2HH2 ARG 70 -9.679 -5.986 10.096 536 H GLU 71 H GLU 71 -6.594 -10.227 3.961 537 HA GLU 71 HA GLU 71 -5.140 -8.996 1.712 538 HB2 GLU 71 1HB GLU 71 -6.527 -10.621 0.306 539 HB3 GLU 71 2HB GLU 71 -5.216 -11.300 1.259 540 HG2 GLU 71 1HG GLU 71 -7.114 -12.730 1.450 541 HG3 GLU 71 2HG GLU 71 -6.865 -11.924 2.997 542 H THR 72 H THR 72 -6.584 -8.279 -0.097 543 HA THR 72 HA THR 72 -8.393 -6.343 0.799 544 HB THR 72 HB THR 72 -9.153 -6.323 -1.662 545 HG1 THR 72 HG1 THR 72 -8.532 -8.098 -2.656 546 HG21 THR 72 3HG2 THR 72 -7.532 -4.804 -2.030 547 HG22 THR 72 1HG2 THR 72 -6.241 -5.964 -1.721 548 HG23 THR 72 2HG2 THR 72 -7.047 -5.162 -0.373 Start of MODEL 6 1 H1 MET 1 H MET 1 -2.216 0.616 -18.882 2 HA MET 1 HA MET 1 -3.046 -1.648 -18.880 3 HB2 MET 1 1HB MET 1 -2.999 -2.222 -21.271 4 HB3 MET 1 2HB MET 1 -3.340 -0.516 -21.019 5 HG2 MET 1 1HG MET 1 -1.175 0.120 -21.698 6 HG3 MET 1 2HG MET 1 -0.585 -1.539 -21.621 7 HE1 MET 1 3HE MET 1 -1.637 0.496 -25.319 8 HE2 MET 1 1HE MET 1 -2.047 1.225 -23.766 9 HE3 MET 1 2HE MET 1 -0.396 0.688 -24.079 10 H VAL 2 H VAL 2 -0.741 -1.961 -17.452 11 HA VAL 2 HA VAL 2 0.401 -4.388 -18.663 12 HB VAL 2 HB VAL 2 2.568 -3.870 -17.593 13 HG11 VAL 2 1HG1 VAL 2 3.340 -2.465 -19.289 14 HG12 VAL 2 2HG1 VAL 2 1.897 -3.207 -19.982 15 HG13 VAL 2 3HG1 VAL 2 1.828 -1.560 -19.355 16 HG21 VAL 2 3HG2 VAL 2 1.049 -1.871 -16.288 17 HG22 VAL 2 1HG2 VAL 2 2.753 -2.267 -16.069 18 HG23 VAL 2 2HG2 VAL 2 2.276 -1.056 -17.258 19 H SER 3 H SER 3 1.357 -5.874 -17.050 20 HA SER 3 HA SER 3 -0.170 -5.778 -14.533 21 HB2 SER 3 1HB SER 3 0.100 -8.279 -14.532 22 HB3 SER 3 2HB SER 3 -0.873 -7.656 -15.864 23 HG SER 3 HG SER 3 1.233 -9.191 -16.041 24 H ARG 4 H ARG 4 2.335 -4.459 -14.864 25 HA ARG 4 HA ARG 4 4.529 -5.949 -13.954 26 HB2 ARG 4 1HB ARG 4 3.830 -3.036 -13.934 27 HB3 ARG 4 2HB ARG 4 5.258 -3.594 -13.071 28 HG2 ARG 4 1HG ARG 4 6.143 -4.546 -15.135 29 HG3 ARG 4 2HG ARG 4 4.705 -4.002 -16.003 30 HD2 ARG 4 1HD ARG 4 5.319 -1.788 -15.906 31 HD3 ARG 4 2HD ARG 4 6.296 -2.014 -14.456 32 HE ARG 4 HE ARG 4 8.094 -2.419 -15.798 33 HH11 ARG 4 1HH1 ARG 4 5.188 -2.907 -17.653 34 HH12 ARG 4 2HH1 ARG 4 6.028 -3.159 -19.147 35 HH21 ARG 4 1HH2 ARG 4 9.211 -2.749 -17.759 36 HH22 ARG 4 2HH2 ARG 4 8.317 -3.069 -19.206 37 H ASP 5 H ASP 5 1.886 -4.413 -12.250 38 HA ASP 5 HA ASP 5 3.016 -4.561 -9.650 39 HB2 ASP 5 1HB ASP 5 0.130 -4.398 -10.544 40 HB3 ASP 5 2HB ASP 5 0.670 -4.224 -8.876 41 H GLN 6 H GLN 6 3.577 -6.400 -8.697 42 HA GLN 6 HA GLN 6 2.087 -8.846 -9.269 43 HB2 GLN 6 1HB GLN 6 3.948 -9.960 -8.031 44 HB3 GLN 6 2HB GLN 6 4.470 -9.065 -9.452 45 HG2 GLN 6 1HG GLN 6 5.492 -7.417 -8.206 46 HG3 GLN 6 2HG GLN 6 4.526 -7.759 -6.771 47 HE21 GLN 6 2HE2 GLN 6 6.388 -7.871 -5.498 48 HE22 GLN 6 1HE2 GLN 6 7.447 -9.236 -5.551 49 H ALA 7 H ALA 7 0.392 -7.429 -7.933 50 HA ALA 7 HA ALA 7 0.685 -7.642 -5.074 51 HB1 ALA 7 1HB ALA 7 -1.808 -6.927 -5.202 52 HB2 ALA 7 2HB ALA 7 -0.549 -5.778 -5.658 53 HB3 ALA 7 3HB ALA 7 -1.453 -6.638 -6.905 54 H HIS 8 H HIS 8 -0.600 -9.578 -7.623 55 HA HIS 8 HA HIS 8 -2.409 -11.123 -6.053 56 HB2 HIS 8 1HB HIS 8 -2.412 -10.874 -8.589 57 HB3 HIS 8 2HB HIS 8 -1.073 -12.018 -8.606 58 HD1 HIS 8 HD1 HIS 8 -4.507 -11.982 -6.944 59 HD2 HIS 8 HD2 HIS 8 -2.013 -14.484 -9.130 60 HE1 HIS 8 HE1 HIS 8 -5.769 -14.143 -7.188 61 H LEU 9 H LEU 9 -1.065 -11.585 -4.206 62 HA LEU 9 HA LEU 9 0.039 -14.168 -4.252 63 HB2 LEU 9 1HB LEU 9 2.398 -13.279 -3.519 64 HB3 LEU 9 2HB LEU 9 2.006 -13.546 -5.217 65 HG LEU 9 HG LEU 9 1.589 -11.139 -5.486 66 HD11 LEU 9 1HD1 LEU 9 2.598 -10.883 -2.658 67 HD12 LEU 9 2HD1 LEU 9 0.913 -10.704 -3.147 68 HD13 LEU 9 3HD1 LEU 9 2.128 -9.573 -3.741 69 HD21 LEU 9 3HD2 LEU 9 4.232 -10.965 -4.305 70 HD22 LEU 9 1HD2 LEU 9 3.738 -10.856 -5.995 71 HD23 LEU 9 2HD2 LEU 9 4.023 -12.434 -5.259 72 H GLY 10 H GLY 10 1.269 -14.619 -2.122 73 HA2 GLY 10 1HA GLY 10 -0.370 -14.103 0.031 74 HA3 GLY 10 2HA GLY 10 1.320 -14.561 0.175 75 HA PRO 11 HA PRO 11 0.604 -9.753 0.644 76 HB2 PRO 11 1HB PRO 11 -1.412 -9.320 2.411 77 HB3 PRO 11 2HB PRO 11 -1.661 -9.365 0.661 78 HG2 PRO 11 1HG PRO 11 -2.144 -11.504 2.699 79 HG3 PRO 11 2HG PRO 11 -3.155 -11.018 1.327 80 HD2 PRO 11 1HD PRO 11 -1.543 -13.192 1.250 81 HD3 PRO 11 2HD PRO 11 -1.893 -12.211 -0.188 82 H LYS 12 H LYS 12 0.405 -8.492 2.953 83 HA LYS 12 HA LYS 12 2.442 -9.720 4.575 84 HB2 LYS 12 1HB LYS 12 1.781 -7.126 3.990 85 HB3 LYS 12 2HB LYS 12 1.144 -7.300 5.621 86 HG2 LYS 12 1HG LYS 12 3.390 -6.434 5.701 87 HG3 LYS 12 2HG LYS 12 3.354 -8.063 6.382 88 HD2 LYS 12 1HD LYS 12 4.292 -8.989 4.385 89 HD3 LYS 12 2HD LYS 12 4.132 -7.451 3.533 90 HE2 LYS 12 1HE LYS 12 5.738 -7.548 6.041 91 HE3 LYS 12 2HE LYS 12 6.433 -8.211 4.563 92 HZ1 LYS 12 3HZ LYS 12 6.404 -6.156 3.531 93 HZ2 LYS 12 1HZ LYS 12 6.832 -5.754 5.118 94 HZ3 LYS 12 2HZ LYS 12 5.246 -5.512 4.582 95 H TYR 13 H TYR 13 2.226 -9.750 6.983 96 HA TYR 13 HA TYR 13 -0.472 -10.650 7.755 97 HB2 TYR 13 1HB TYR 13 2.242 -11.730 8.472 98 HB3 TYR 13 2HB TYR 13 0.840 -12.047 9.487 99 HD1 TYR 13 HD1 TYR 13 2.289 -12.576 6.131 100 HD2 TYR 13 HD2 TYR 13 -0.809 -13.642 8.846 101 HE1 TYR 13 HE1 TYR 13 1.672 -14.461 4.677 102 HE2 TYR 13 HE2 TYR 13 -1.434 -15.530 7.400 103 HH TYR 13 HH TYR 13 -1.212 -16.143 4.975 104 H VAL 14 H VAL 14 -1.367 -9.820 9.562 105 HA VAL 14 HA VAL 14 0.305 -8.219 11.364 106 HB VAL 14 HB VAL 14 -2.232 -7.275 10.033 107 HG11 VAL 14 1HG1 VAL 14 -2.446 -6.718 12.350 108 HG12 VAL 14 2HG1 VAL 14 -0.783 -6.132 12.416 109 HG13 VAL 14 3HG1 VAL 14 -1.992 -5.255 11.477 110 HG21 VAL 14 3HG2 VAL 14 0.615 -6.304 10.059 111 HG22 VAL 14 1HG2 VAL 14 -0.360 -6.798 8.675 112 HG23 VAL 14 2HG2 VAL 14 -0.730 -5.297 9.524 113 H GLY 15 H GLY 15 -0.300 -8.261 13.491 114 HA2 GLY 15 1HA GLY 15 -2.507 -8.576 14.857 115 HA3 GLY 15 2HA GLY 15 -2.408 -10.187 14.161 116 H LEU 16 H LEU 16 -0.906 -7.913 16.364 117 HA LEU 16 HA LEU 16 0.628 -10.143 17.529 118 HB2 LEU 16 1HB LEU 16 1.296 -7.315 17.015 119 HB3 LEU 16 2HB LEU 16 1.840 -7.968 18.558 120 HG LEU 16 HG LEU 16 3.588 -8.088 16.856 121 HD11 LEU 16 1HD1 LEU 16 3.347 -10.881 16.929 122 HD12 LEU 16 2HD1 LEU 16 2.579 -10.283 18.400 123 HD13 LEU 16 3HD1 LEU 16 4.248 -9.844 18.036 124 HD21 LEU 16 3HD2 LEU 16 3.382 -9.156 14.828 125 HD22 LEU 16 1HD2 LEU 16 1.778 -8.445 15.009 126 HD23 LEU 16 2HD2 LEU 16 2.030 -10.153 15.367 127 H TRP 17 H TRP 17 -1.814 -7.819 18.028 128 HA TRP 17 HA TRP 17 -3.173 -7.353 19.791 129 HB2 TRP 17 1HB TRP 17 -2.902 -9.968 19.956 130 HB3 TRP 17 2HB TRP 17 -1.978 -9.574 21.402 131 HD1 TRP 17 HD1 TRP 17 -3.318 -8.545 23.478 132 HE1 TRP 17 HE1 TRP 17 -5.821 -8.545 24.076 133 HE3 TRP 17 HE3 TRP 17 -5.241 -9.858 18.926 134 HZ2 TRP 17 HZ2 TRP 17 -8.285 -9.036 22.790 135 HZ3 TRP 17 HZ3 TRP 17 -7.681 -10.072 18.695 136 HH2 TRP 17 HH2 TRP 17 -9.170 -9.670 20.588 137 H ASP 18 H ASP 18 -0.550 -6.150 19.605 138 HA ASP 18 HA ASP 18 0.914 -4.879 20.803 139 HB2 ASP 18 1HB ASP 18 -1.640 -4.280 21.641 140 HB3 ASP 18 2HB ASP 18 -0.804 -4.592 23.160 141 H PHE 19 H PHE 19 0.989 -7.769 21.227 142 HA PHE 19 HA PHE 19 1.816 -7.976 24.028 143 HB2 PHE 19 1HB PHE 19 0.308 -9.690 22.705 144 HB3 PHE 19 2HB PHE 19 1.862 -10.300 22.147 145 HD1 PHE 19 HD1 PHE 19 -0.157 -9.617 25.168 146 HD2 PHE 19 HD2 PHE 19 3.198 -11.655 23.521 147 HE1 PHE 19 HE1 PHE 19 0.077 -10.909 27.249 148 HE2 PHE 19 HE2 PHE 19 3.436 -12.950 25.599 149 HZ PHE 19 HZ PHE 19 1.874 -12.579 27.466 150 H LYS 20 H LYS 20 3.878 -7.734 24.541 151 HA LYS 20 HA LYS 20 5.922 -8.398 22.524 152 HB2 LYS 20 1HB LYS 20 5.768 -6.067 24.421 153 HB3 LYS 20 2HB LYS 20 7.305 -6.600 23.751 154 HG2 LYS 20 1HG LYS 20 6.906 -5.611 21.802 155 HG3 LYS 20 2HG LYS 20 5.275 -6.277 21.706 156 HD2 LYS 20 1HD LYS 20 4.659 -4.119 21.930 157 HD3 LYS 20 2HD LYS 20 4.937 -4.426 23.646 158 HE2 LYS 20 1HE LYS 20 7.047 -3.375 21.770 159 HE3 LYS 20 2HE LYS 20 6.005 -2.340 22.745 160 HZ1 LYS 20 3HZ LYS 20 6.880 -3.374 24.735 161 HZ2 LYS 20 1HZ LYS 20 8.146 -2.740 23.809 162 HZ3 LYS 20 2HZ LYS 20 7.853 -4.406 23.813 163 H SER 21 H SER 21 7.272 -9.951 23.125 164 HA SER 21 HA SER 21 7.464 -10.614 25.983 165 HB2 SER 21 1HB SER 21 6.794 -12.264 23.945 166 HB3 SER 21 2HB SER 21 8.541 -12.508 23.976 167 HG SER 21 HG SER 21 6.719 -13.537 25.600 168 H ARG 22 H ARG 22 9.725 -12.020 26.162 169 HA ARG 22 HA ARG 22 11.844 -10.209 25.211 170 HB2 ARG 22 1HB ARG 22 11.862 -11.593 27.892 171 HB3 ARG 22 2HB ARG 22 12.961 -10.346 27.318 172 HG2 ARG 22 1HG ARG 22 11.638 -9.048 28.607 173 HG3 ARG 22 2HG ARG 22 10.675 -8.991 27.129 174 HD2 ARG 22 1HD ARG 22 9.627 -11.188 28.189 175 HD3 ARG 22 2HD ARG 22 10.172 -10.423 29.681 176 HE ARG 22 HE ARG 22 8.740 -8.578 28.080 177 HH11 ARG 22 1HH1 ARG 22 8.295 -11.335 30.159 178 HH12 ARG 22 2HH1 ARG 22 6.691 -10.884 30.632 179 HH21 ARG 22 1HH2 ARG 22 6.629 -7.973 28.695 180 HH22 ARG 22 2HH2 ARG 22 5.743 -8.972 29.797 181 H THR 23 H THR 23 10.871 -12.758 24.127 182 HA THR 23 HA THR 23 13.431 -14.186 24.170 183 HB THR 23 HB THR 23 11.958 -16.342 23.970 184 HG1 THR 23 HG1 THR 23 9.937 -15.313 24.013 185 HG21 THR 23 3HG2 THR 23 12.107 -15.122 26.710 186 HG22 THR 23 1HG2 THR 23 13.565 -15.586 25.835 187 HG23 THR 23 2HG2 THR 23 12.351 -16.802 26.231 188 H ASP 24 H ASP 24 13.888 -15.388 22.279 189 HA ASP 24 HA ASP 24 13.024 -14.218 19.881 190 HB2 ASP 24 1HB ASP 24 14.234 -16.973 20.073 191 HB3 ASP 24 2HB ASP 24 14.393 -15.801 18.767 192 H GLU 25 H GLU 25 11.754 -16.845 21.743 193 HA GLU 25 HA GLU 25 10.326 -18.221 19.763 194 HB2 GLU 25 1HB GLU 25 9.560 -17.844 22.663 195 HB3 GLU 25 2HB GLU 25 8.966 -19.102 21.588 196 HG2 GLU 25 1HG GLU 25 11.452 -19.748 21.345 197 HG3 GLU 25 2HG GLU 25 11.676 -18.791 22.809 198 H GLU 26 H GLU 26 9.830 -15.131 21.143 199 HA GLU 26 HA GLU 26 7.268 -14.918 19.721 200 HB2 GLU 26 1HB GLU 26 7.824 -13.708 22.435 201 HB3 GLU 26 2HB GLU 26 6.332 -13.568 21.517 202 HG2 GLU 26 1HG GLU 26 6.346 -16.172 21.639 203 HG3 GLU 26 2HG GLU 26 7.426 -15.903 23.006 204 H LEU 27 H LEU 27 6.701 -12.734 19.095 205 HA LEU 27 HA LEU 27 9.072 -11.202 18.384 206 HB2 LEU 27 1HB LEU 27 6.217 -11.204 17.487 207 HB3 LEU 27 2HB LEU 27 7.269 -9.839 17.116 208 HG LEU 27 HG LEU 27 7.159 -11.329 15.223 209 HD11 LEU 27 1HD1 LEU 27 9.393 -11.344 14.742 210 HD12 LEU 27 2HD1 LEU 27 9.849 -11.942 16.337 211 HD13 LEU 27 3HD1 LEU 27 9.383 -10.254 16.128 212 HD21 LEU 27 3HD2 LEU 27 8.213 -13.470 17.069 213 HD22 LEU 27 1HD2 LEU 27 7.911 -13.632 15.339 214 HD23 LEU 27 2HD2 LEU 27 6.564 -13.375 16.448 215 H SER 28 H SER 28 9.692 -9.426 19.416 216 HA SER 28 HA SER 28 8.033 -8.355 21.539 217 HB2 SER 28 1HB SER 28 10.695 -7.206 20.762 218 HB3 SER 28 2HB SER 28 9.958 -7.327 22.360 219 HG SER 28 HG SER 28 10.205 -9.696 22.006 220 H PHE 29 H PHE 29 6.422 -7.623 19.881 221 HA PHE 29 HA PHE 29 6.774 -4.807 19.425 222 HB2 PHE 29 1HB PHE 29 7.458 -6.562 17.325 223 HB3 PHE 29 2HB PHE 29 5.897 -5.869 16.897 224 HD1 PHE 29 HD2 PHE 29 9.404 -5.094 17.701 225 HD2 PHE 29 HD1 PHE 29 5.687 -3.590 16.271 226 HE1 PHE 29 HE2 PHE 29 10.529 -3.039 16.949 227 HE2 PHE 29 HE1 PHE 29 6.806 -1.532 15.517 228 HZ PHE 29 HZ PHE 29 9.230 -1.255 15.856 229 H ARG 30 H ARG 30 4.781 -3.801 18.550 230 HA ARG 30 HA ARG 30 2.440 -5.240 19.560 231 HB2 ARG 30 1HB ARG 30 1.375 -3.121 19.787 232 HB3 ARG 30 2HB ARG 30 3.010 -2.937 20.406 233 HG2 ARG 30 1HG ARG 30 3.701 -1.850 18.360 234 HG3 ARG 30 2HG ARG 30 2.101 -2.106 17.659 235 HD2 ARG 30 1HD ARG 30 2.500 -0.580 20.216 236 HD3 ARG 30 2HD ARG 30 2.606 0.199 18.638 237 HE ARG 30 HE ARG 30 0.226 -0.644 19.989 238 HH11 ARG 30 1HH1 ARG 30 1.661 -0.064 16.870 239 HH12 ARG 30 2HH1 ARG 30 0.146 0.232 16.083 240 HH21 ARG 30 1HH2 ARG 30 -1.774 -0.256 18.964 241 HH22 ARG 30 2HH2 ARG 30 -1.807 0.124 17.276 242 H ALA 31 H ALA 31 0.345 -4.755 18.373 243 HA ALA 31 HA ALA 31 0.458 -5.805 15.787 244 HB1 ALA 31 1HB ALA 31 -1.829 -4.133 16.781 245 HB2 ALA 31 2HB ALA 31 -1.868 -5.522 15.695 246 HB3 ALA 31 3HB ALA 31 -1.513 -5.751 17.407 247 H GLY 32 H GLY 32 -0.558 -4.685 13.837 248 HA2 GLY 32 1HA GLY 32 -0.796 -2.788 12.464 249 HA3 GLY 32 2HA GLY 32 0.050 -1.834 13.674 250 H ASP 33 H ASP 33 2.116 -4.098 13.738 251 HA ASP 33 HA ASP 33 3.825 -2.931 11.720 252 HB2 ASP 33 1HB ASP 33 4.174 -4.625 14.109 253 HB3 ASP 33 2HB ASP 33 5.302 -4.952 12.795 254 H VAL 34 H VAL 34 4.975 -4.153 10.128 255 HA VAL 34 HA VAL 34 3.327 -6.259 8.969 256 HB VAL 34 HB VAL 34 4.851 -6.027 7.002 257 HG11 VAL 34 1HG1 VAL 34 3.885 -3.284 7.611 258 HG12 VAL 34 2HG1 VAL 34 3.667 -4.265 6.161 259 HG13 VAL 34 3HG1 VAL 34 2.709 -4.597 7.604 260 HG21 VAL 34 3HG2 VAL 34 6.772 -4.914 7.128 261 HG22 VAL 34 1HG2 VAL 34 5.949 -3.471 7.721 262 HG23 VAL 34 2HG2 VAL 34 6.487 -4.708 8.856 263 H PHE 35 H PHE 35 3.960 -8.342 8.661 264 HA PHE 35 HA PHE 35 6.684 -9.122 9.373 265 HB2 PHE 35 1HB PHE 35 4.262 -10.464 10.588 266 HB3 PHE 35 2HB PHE 35 5.950 -10.858 10.894 267 HD1 PHE 35 HD2 PHE 35 3.321 -8.334 11.421 268 HD2 PHE 35 HD1 PHE 35 7.237 -9.636 12.461 269 HE1 PHE 35 HE2 PHE 35 3.346 -6.746 13.300 270 HE2 PHE 35 HE1 PHE 35 7.268 -8.051 14.343 271 HZ PHE 35 HZ PHE 35 5.321 -6.603 14.764 272 H HIS 36 H HIS 36 7.399 -11.000 8.388 273 HA HIS 36 HA HIS 36 5.512 -12.353 6.585 274 HB2 HIS 36 1HB HIS 36 6.971 -10.634 5.405 275 HB3 HIS 36 2HB HIS 36 8.341 -11.674 5.785 276 HD1 HIS 36 HD1 HIS 36 4.997 -11.943 3.990 277 HD2 HIS 36 HD2 HIS 36 8.832 -13.538 3.885 278 HE1 HIS 36 HE1 HIS 36 5.043 -13.451 1.978 279 H VAL 37 H VAL 37 6.038 -14.520 6.058 280 HA VAL 37 HA VAL 37 7.707 -15.808 8.092 281 HB VAL 37 HB VAL 37 6.586 -17.908 7.375 282 HG11 VAL 37 1HG1 VAL 37 4.257 -16.239 7.919 283 HG12 VAL 37 2HG1 VAL 37 4.975 -17.533 8.880 284 HG13 VAL 37 3HG1 VAL 37 5.626 -15.896 8.976 285 HG21 VAL 37 3HG2 VAL 37 4.337 -16.883 6.028 286 HG22 VAL 37 1HG2 VAL 37 5.757 -16.247 5.197 287 HG23 VAL 37 2HG2 VAL 37 5.562 -17.987 5.405 288 H ALA 38 H ALA 38 9.634 -16.615 7.602 289 HA ALA 38 HA ALA 38 10.539 -16.622 4.852 290 HB1 ALA 38 1HB ALA 38 12.334 -17.707 6.905 291 HB2 ALA 38 2HB ALA 38 12.618 -16.463 5.687 292 HB3 ALA 38 3HB ALA 38 11.790 -16.054 7.189 293 H ARG 39 H ARG 39 9.448 -18.903 7.218 294 HA ARG 39 HA ARG 39 9.723 -21.045 5.253 295 HB2 ARG 39 1HB ARG 39 11.039 -20.962 7.927 296 HB3 ARG 39 2HB ARG 39 10.389 -22.500 7.372 297 HG2 ARG 39 1HG ARG 39 12.306 -20.836 5.761 298 HG3 ARG 39 2HG ARG 39 12.811 -22.109 6.874 299 HD2 ARG 39 1HD ARG 39 11.449 -23.722 5.602 300 HD3 ARG 39 2HD ARG 39 11.020 -22.441 4.470 301 HE ARG 39 HE ARG 39 13.817 -22.611 4.638 302 HH11 ARG 39 1HH1 ARG 39 11.089 -24.419 3.448 303 HH12 ARG 39 2HH1 ARG 39 11.989 -25.196 2.187 304 HH21 ARG 39 1HH2 ARG 39 15.011 -23.628 2.982 305 HH22 ARG 39 2HH2 ARG 39 14.219 -24.746 1.924 306 H LYS 40 H LYS 40 8.026 -22.415 5.233 307 HA LYS 40 HA LYS 40 5.968 -22.015 7.298 308 HB2 LYS 40 1HB LYS 40 4.433 -23.014 5.521 309 HB3 LYS 40 2HB LYS 40 5.051 -21.396 5.217 310 HG2 LYS 40 1HG LYS 40 6.770 -22.347 3.743 311 HG3 LYS 40 2HG LYS 40 6.099 -23.955 4.022 312 HD2 LYS 40 1HD LYS 40 3.951 -23.194 3.081 313 HD3 LYS 40 2HD LYS 40 4.672 -21.617 2.754 314 HE2 LYS 40 1HE LYS 40 6.432 -22.918 1.419 315 HE3 LYS 40 2HE LYS 40 5.305 -24.271 1.501 316 HZ1 LYS 40 3HZ LYS 40 4.898 -23.130 -0.516 317 HZ2 LYS 40 1HZ LYS 40 4.850 -21.622 0.251 318 HZ3 LYS 40 2HZ LYS 40 3.614 -22.746 0.516 319 H GLU 41 H GLU 41 6.070 -23.567 8.788 320 HA GLU 41 HA GLU 41 6.604 -26.325 7.907 321 HB2 GLU 41 1HB GLU 41 8.028 -25.002 9.723 322 HB3 GLU 41 2HB GLU 41 6.743 -25.563 10.784 323 HG2 GLU 41 1HG GLU 41 7.344 -27.755 10.592 324 HG3 GLU 41 2HG GLU 41 8.047 -27.537 8.990 325 H GLU 42 H GLU 42 5.496 -28.032 9.197 326 HA GLU 42 HA GLU 42 2.683 -27.542 9.214 327 HB2 GLU 42 1HB GLU 42 2.434 -29.862 9.689 328 HB3 GLU 42 2HB GLU 42 3.785 -29.715 8.575 329 HG2 GLU 42 1HG GLU 42 5.358 -29.981 10.391 330 HG3 GLU 42 2HG GLU 42 4.037 -30.028 11.557 331 H GLN 43 H GLN 43 5.187 -27.588 11.617 332 HA GLN 43 HA GLN 43 3.308 -27.683 13.828 333 HB2 GLN 43 1HB GLN 43 6.313 -27.417 13.711 334 HB3 GLN 43 2HB GLN 43 5.398 -27.394 15.212 335 HG2 GLN 43 1HG GLN 43 4.442 -29.658 14.248 336 HG3 GLN 43 2HG GLN 43 5.970 -29.645 13.369 337 HE21 GLN 43 2HE2 GLN 43 4.830 -31.272 15.654 338 HE22 GLN 43 1HE2 GLN 43 6.077 -31.245 16.850 339 H TRP 44 H TRP 44 6.035 -25.470 13.272 340 HA TRP 44 HA TRP 44 4.225 -23.226 13.877 341 HB2 TRP 44 1HB TRP 44 7.119 -23.394 14.731 342 HB3 TRP 44 2HB TRP 44 5.946 -22.157 15.173 343 HD1 TRP 44 HD1 TRP 44 7.588 -24.907 16.727 344 HE1 TRP 44 HE1 TRP 44 6.207 -25.931 18.642 345 HE3 TRP 44 HE3 TRP 44 3.029 -22.877 15.617 346 HZ2 TRP 44 HZ2 TRP 44 3.539 -25.886 19.560 347 HZ3 TRP 44 HZ3 TRP 44 1.114 -23.419 17.063 348 HH2 TRP 44 HH2 TRP 44 1.365 -24.893 18.993 349 H TRP 45 H TRP 45 4.837 -21.173 12.968 350 HA TRP 45 HA TRP 45 6.327 -21.494 10.455 351 HB2 TRP 45 1HB TRP 45 4.123 -19.623 11.297 352 HB3 TRP 45 2HB TRP 45 5.121 -19.289 9.884 353 HD1 TRP 45 HD1 TRP 45 4.149 -22.897 10.608 354 HE1 TRP 45 HE1 TRP 45 2.498 -23.695 8.802 355 HE3 TRP 45 HE3 TRP 45 3.280 -18.433 8.273 356 HZ2 TRP 45 HZ2 TRP 45 1.023 -22.580 6.669 357 HZ3 TRP 45 HZ3 TRP 45 1.737 -18.385 6.357 358 HH2 TRP 45 HH2 TRP 45 0.633 -20.417 5.573 359 H TRP 46 H TRP 46 8.139 -20.368 10.072 360 HA TRP 46 HA TRP 46 9.274 -18.816 12.224 361 HB2 TRP 46 1HB TRP 46 10.281 -19.761 9.553 362 HB3 TRP 46 2HB TRP 46 11.191 -18.587 10.499 363 HD1 TRP 46 HD1 TRP 46 9.349 -21.494 12.184 364 HE1 TRP 46 HE1 TRP 46 11.092 -23.062 13.247 365 HE3 TRP 46 HE3 TRP 46 13.605 -19.353 10.329 366 HZ2 TRP 46 HZ2 TRP 46 13.900 -23.352 13.293 367 HZ3 TRP 46 HZ3 TRP 46 15.779 -20.337 10.931 368 HH2 TRP 46 HH2 TRP 46 15.921 -22.294 12.382 369 H ALA 47 H ALA 47 8.537 -16.800 12.472 370 HA ALA 47 HA ALA 47 8.076 -15.150 10.086 371 HB1 ALA 47 1HB ALA 47 6.207 -14.617 11.169 372 HB2 ALA 47 2HB ALA 47 6.774 -15.371 12.660 373 HB3 ALA 47 3HB ALA 47 7.216 -13.704 12.292 374 H THR 48 H THR 48 8.866 -12.980 10.023 375 HA THR 48 HA THR 48 11.140 -12.442 11.812 376 HB THR 48 HB THR 48 11.248 -11.719 8.895 377 HG1 THR 48 HG1 THR 48 11.778 -13.709 8.401 378 HG21 THR 48 3HG2 THR 48 13.529 -11.375 9.260 379 HG22 THR 48 1HG2 THR 48 13.538 -12.346 10.731 380 HG23 THR 48 2HG2 THR 48 12.784 -10.752 10.731 381 H LEU 49 H LEU 49 11.307 -10.389 12.536 382 HA LEU 49 HA LEU 49 9.204 -8.524 11.731 383 HB2 LEU 49 1HB LEU 49 9.228 -8.746 14.045 384 HB3 LEU 49 2HB LEU 49 10.988 -8.770 14.120 385 HG LEU 49 HG LEU 49 11.008 -6.356 13.585 386 HD11 LEU 49 1HD1 LEU 49 8.185 -5.975 14.240 387 HD12 LEU 49 2HD1 LEU 49 8.465 -6.752 12.681 388 HD13 LEU 49 3HD1 LEU 49 9.189 -5.181 13.026 389 HD21 LEU 49 3HD2 LEU 49 10.748 -5.749 15.760 390 HD22 LEU 49 1HD2 LEU 49 10.701 -7.500 15.965 391 HD23 LEU 49 2HD2 LEU 49 9.199 -6.577 15.924 392 H LEU 50 H LEU 50 9.633 -6.959 10.336 393 HA LEU 50 HA LEU 50 12.425 -6.085 10.010 394 HB2 LEU 50 1HB LEU 50 10.412 -5.383 7.966 395 HB3 LEU 50 2HB LEU 50 12.100 -5.857 7.780 396 HG LEU 50 HG LEU 50 9.792 -7.729 8.308 397 HD11 LEU 50 1HD1 LEU 50 9.900 -8.365 6.061 398 HD12 LEU 50 2HD1 LEU 50 11.448 -7.558 5.812 399 HD13 LEU 50 3HD1 LEU 50 9.980 -6.603 6.021 400 HD21 LEU 50 3HD2 LEU 50 11.321 -9.508 8.152 401 HD22 LEU 50 1HD2 LEU 50 12.076 -8.344 9.241 402 HD23 LEU 50 2HD2 LEU 50 12.611 -8.459 7.564 403 H ASP 51 H ASP 51 12.730 -3.797 9.404 404 HA ASP 51 HA ASP 51 11.292 -2.098 11.213 405 HB2 ASP 51 1HB ASP 51 13.821 -2.049 10.304 406 HB3 ASP 51 2HB ASP 51 13.096 -0.901 9.181 407 H GLU 52 H GLU 52 10.823 0.242 10.203 408 HA GLU 52 HA GLU 52 8.472 -0.018 8.715 409 HB2 GLU 52 1HB GLU 52 8.468 2.395 8.565 410 HB3 GLU 52 2HB GLU 52 9.014 1.916 10.166 411 HG2 GLU 52 1HG GLU 52 11.386 2.117 8.997 412 HG3 GLU 52 2HG GLU 52 10.494 3.238 7.970 413 H ALA 53 H ALA 53 11.784 0.550 7.716 414 HA ALA 53 HA ALA 53 11.100 1.137 4.984 415 HB1 ALA 53 1HB ALA 53 13.103 2.095 5.229 416 HB2 ALA 53 2HB ALA 53 13.521 1.077 6.607 417 HB3 ALA 53 3HB ALA 53 13.764 0.481 4.966 418 H GLY 54 H GLY 54 11.529 -1.698 6.847 419 HA2 GLY 54 1HA GLY 54 10.730 -3.775 5.848 420 HA3 GLY 54 2HA GLY 54 11.546 -3.299 4.366 421 H GLY 55 H GLY 55 13.690 -2.350 6.538 422 HA2 GLY 55 1HA GLY 55 15.469 -4.499 6.064 423 HA3 GLY 55 2HA GLY 55 15.731 -3.176 7.191 424 H ALA 56 H ALA 56 15.440 -6.443 6.957 425 HA ALA 56 HA ALA 56 13.868 -7.289 9.057 426 HB1 ALA 56 1HB ALA 56 15.471 -9.215 9.233 427 HB2 ALA 56 2HB ALA 56 14.848 -8.902 7.612 428 HB3 ALA 56 3HB ALA 56 16.480 -8.391 8.043 429 H VAL 57 H VAL 57 14.310 -7.827 11.244 430 HA VAL 57 HA VAL 57 16.602 -6.422 12.442 431 HB VAL 57 HB VAL 57 13.849 -6.461 13.674 432 HG11 VAL 57 1HG1 VAL 57 15.707 -6.253 15.247 433 HG12 VAL 57 2HG1 VAL 57 16.328 -4.874 14.337 434 HG13 VAL 57 3HG1 VAL 57 14.773 -4.760 15.161 435 HG21 VAL 57 3HG2 VAL 57 15.191 -4.221 12.162 436 HG22 VAL 57 1HG2 VAL 57 13.806 -5.159 11.604 437 HG23 VAL 57 2HG2 VAL 57 13.653 -4.116 13.019 438 H ALA 58 H ALA 58 13.882 -8.410 13.609 439 HA ALA 58 HA ALA 58 15.857 -10.279 14.747 440 HB1 ALA 58 1HB ALA 58 14.814 -10.341 16.774 441 HB2 ALA 58 2HB ALA 58 14.456 -8.675 16.315 442 HB3 ALA 58 3HB ALA 58 13.236 -9.930 16.100 443 H GLN 59 H GLN 59 14.564 -12.369 15.486 444 HA GLN 59 HA GLN 59 12.672 -13.116 13.366 445 HB2 GLN 59 1HB GLN 59 14.859 -14.962 14.309 446 HB3 GLN 59 2HB GLN 59 13.793 -15.165 12.926 447 HG2 GLN 59 1HG GLN 59 14.904 -13.001 12.054 448 HG3 GLN 59 2HG GLN 59 16.157 -13.368 13.238 449 HE21 GLN 59 2HE2 GLN 59 17.817 -14.363 12.374 450 HE22 GLN 59 1HE2 GLN 59 17.765 -15.521 11.093 451 H GLY 60 H GLY 60 10.908 -14.130 14.090 452 HA2 GLY 60 1HA GLY 60 11.021 -15.695 16.548 453 HA3 GLY 60 2HA GLY 60 9.980 -14.279 16.574 454 H TYR 61 H TYR 61 9.396 -17.200 16.759 455 HA TYR 61 HA TYR 61 7.663 -17.492 14.400 456 HB2 TYR 61 1HB TYR 61 7.685 -19.844 14.756 457 HB3 TYR 61 2HB TYR 61 9.351 -19.306 14.934 458 HD1 TYR 61 HD1 TYR 61 6.390 -20.559 16.713 459 HD2 TYR 61 HD2 TYR 61 10.477 -19.430 17.061 460 HE1 TYR 61 HE1 TYR 61 6.488 -21.622 18.929 461 HE2 TYR 61 HE2 TYR 61 10.587 -20.490 19.277 462 HH TYR 61 HH TYR 61 9.203 -22.462 20.445 463 H VAL 62 H VAL 62 5.482 -17.935 14.630 464 HA VAL 62 HA VAL 62 4.315 -18.133 17.280 465 HB VAL 62 HB VAL 62 2.687 -16.241 16.696 466 HG11 VAL 62 1HG1 VAL 62 4.077 -14.589 17.756 467 HG12 VAL 62 2HG1 VAL 62 4.418 -16.165 18.474 468 HG13 VAL 62 3HG1 VAL 62 5.537 -15.468 17.303 469 HG21 VAL 62 3HG2 VAL 62 3.074 -14.845 14.974 470 HG22 VAL 62 1HG2 VAL 62 4.823 -14.896 15.194 471 HG23 VAL 62 2HG2 VAL 62 4.005 -16.195 14.325 472 HA PRO 63 HA PRO 63 1.291 -20.537 15.195 473 HB2 PRO 63 1HB PRO 63 -0.907 -20.084 16.722 474 HB3 PRO 63 2HB PRO 63 0.453 -21.072 17.266 475 HG2 PRO 63 1HG PRO 63 -0.183 -18.214 17.892 476 HG3 PRO 63 2HG PRO 63 0.386 -19.497 18.976 477 HD2 PRO 63 1HD PRO 63 2.039 -17.607 17.962 478 HD3 PRO 63 2HD PRO 63 2.579 -19.263 18.308 479 H HIS 64 H HIS 64 -0.442 -20.437 13.754 480 HA HIS 64 HA HIS 64 -0.798 -18.070 12.327 481 HB2 HIS 64 1HB HIS 64 -1.228 -20.336 11.419 482 HB3 HIS 64 2HB HIS 64 -2.671 -20.445 12.424 483 HD1 HIS 64 HD1 HIS 64 -1.553 -17.531 10.259 484 HD2 HIS 64 HD2 HIS 64 -4.662 -20.269 10.585 485 HE1 HIS 64 HE1 HIS 64 -3.249 -16.830 8.541 486 H ASN 65 H ASN 65 -2.369 -19.222 15.174 487 HA ASN 65 HA ASN 65 -4.711 -17.585 14.938 488 HB2 ASN 65 1HB ASN 65 -4.905 -19.565 16.262 489 HB3 ASN 65 2HB ASN 65 -3.506 -19.126 17.238 490 HD21 ASN 65 2HD2 ASN 65 -6.875 -18.629 16.670 491 HD22 ASN 65 1HD2 ASN 65 -7.190 -17.688 18.085 492 H TYR 66 H TYR 66 -1.482 -17.086 15.963 493 HA TYR 66 HA TYR 66 -1.882 -14.994 17.820 494 HB2 TYR 66 1HB TYR 66 0.270 -16.412 17.121 495 HB3 TYR 66 2HB TYR 66 0.559 -14.997 16.115 496 HD1 TYR 66 HD2 TYR 66 -0.575 -15.640 19.626 497 HD2 TYR 66 HD1 TYR 66 2.003 -13.463 17.034 498 HE1 TYR 66 HE2 TYR 66 0.371 -14.461 21.567 499 HE2 TYR 66 HE1 TYR 66 2.957 -12.280 18.967 500 HH TYR 66 HH TYR 66 1.611 -12.625 22.181 501 H LEU 67 H LEU 67 -1.056 -14.927 14.355 502 HA LEU 67 HA LEU 67 -1.902 -12.108 14.290 503 HB2 LEU 67 1HB LEU 67 -0.648 -12.222 12.016 504 HB3 LEU 67 2HB LEU 67 0.259 -12.073 13.520 505 HG LEU 67 HG LEU 67 0.619 -14.558 13.434 506 HD11 LEU 67 1HD1 LEU 67 0.417 -15.205 10.816 507 HD12 LEU 67 2HD1 LEU 67 -1.015 -14.195 11.018 508 HD13 LEU 67 3HD1 LEU 67 -0.788 -15.616 12.038 509 HD21 LEU 67 3HD2 LEU 67 2.233 -12.764 12.638 510 HD22 LEU 67 1HD2 LEU 67 1.705 -13.163 11.003 511 HD23 LEU 67 2HD2 LEU 67 2.480 -14.392 12.004 512 H ALA 68 H ALA 68 -2.990 -11.390 12.300 513 HA ALA 68 HA ALA 68 -4.539 -13.529 11.001 514 HB1 ALA 68 1HB ALA 68 -6.574 -12.462 11.322 515 HB2 ALA 68 2HB ALA 68 -5.755 -12.219 12.866 516 HB3 ALA 68 3HB ALA 68 -5.817 -10.910 11.686 517 H GLU 69 H GLU 69 -4.345 -13.458 8.867 518 HA GLU 69 HA GLU 69 -2.887 -11.609 7.437 519 HB2 GLU 69 1HB GLU 69 -3.902 -12.542 5.424 520 HB3 GLU 69 2HB GLU 69 -3.507 -13.818 6.567 521 HG2 GLU 69 1HG GLU 69 -6.128 -13.087 7.169 522 HG3 GLU 69 2HG GLU 69 -6.042 -13.111 5.409 523 H ARG 70 H ARG 70 -3.226 -9.615 6.696 524 HA ARG 70 HA ARG 70 -5.961 -8.533 6.854 525 HB2 ARG 70 1HB ARG 70 -4.593 -6.289 6.863 526 HB3 ARG 70 2HB ARG 70 -4.795 -7.219 8.342 527 HG2 ARG 70 1HG ARG 70 -2.521 -6.509 8.193 528 HG3 ARG 70 2HG ARG 70 -2.577 -8.253 7.930 529 HD2 ARG 70 1HD ARG 70 -1.070 -7.251 6.337 530 HD3 ARG 70 2HD ARG 70 -2.497 -7.852 5.495 531 HE ARG 70 HE ARG 70 -2.690 -5.084 6.222 532 HH11 ARG 70 1HH1 ARG 70 -1.504 -7.329 3.841 533 HH12 ARG 70 2HH1 ARG 70 -1.509 -6.169 2.554 534 HH21 ARG 70 1HH2 ARG 70 -2.701 -3.547 4.537 535 HH22 ARG 70 2HH2 ARG 70 -2.189 -4.017 2.951 536 H GLU 71 H GLU 71 -5.360 -9.930 4.595 537 HA GLU 71 HA GLU 71 -4.157 -8.649 2.474 538 HB2 GLU 71 1HB GLU 71 -5.751 -9.916 1.023 539 HB3 GLU 71 2HB GLU 71 -4.937 -10.902 2.229 540 HG2 GLU 71 1HG GLU 71 -7.153 -11.627 2.254 541 HG3 GLU 71 2HG GLU 71 -7.005 -10.584 3.666 542 H THR 72 H THR 72 -5.059 -7.462 0.670 543 HA THR 72 HA THR 72 -7.189 -5.619 1.531 544 HB THR 72 HB THR 72 -5.075 -4.472 1.191 545 HG1 THR 72 HG1 THR 72 -7.193 -3.603 0.359 546 HG21 THR 72 3HG2 THR 72 -5.151 -5.806 -1.506 547 HG22 THR 72 1HG2 THR 72 -3.878 -5.873 -0.289 548 HG23 THR 72 2HG2 THR 72 -4.163 -4.381 -1.185 Start of MODEL 7 1 H1 MET 1 H MET 1 0.355 3.012 -13.329 2 HA MET 1 HA MET 1 -0.573 0.503 -14.302 3 HB2 MET 1 1HB MET 1 -0.563 1.573 -16.498 4 HB3 MET 1 2HB MET 1 -1.288 2.629 -15.294 5 HG2 MET 1 1HG MET 1 1.068 3.664 -15.119 6 HG3 MET 1 2HG MET 1 1.355 2.868 -16.664 7 HE1 MET 1 3HE MET 1 1.098 6.588 -17.268 8 HE2 MET 1 1HE MET 1 0.305 6.651 -15.693 9 HE3 MET 1 2HE MET 1 1.731 5.638 -15.923 10 H VAL 2 H VAL 2 1.949 0.213 -13.056 11 HA VAL 2 HA VAL 2 3.640 -0.537 -15.353 12 HB VAL 2 HB VAL 2 4.669 1.217 -13.963 13 HG11 VAL 2 1HG1 VAL 2 5.045 -0.699 -11.719 14 HG12 VAL 2 2HG1 VAL 2 5.010 1.066 -11.707 15 HG13 VAL 2 3HG1 VAL 2 3.506 0.154 -11.845 16 HG21 VAL 2 3HG2 VAL 2 6.344 -1.119 -13.304 17 HG22 VAL 2 1HG2 VAL 2 5.857 -0.969 -14.992 18 HG23 VAL 2 2HG2 VAL 2 6.738 0.342 -14.208 19 H SER 3 H SER 3 4.693 -2.536 -15.296 20 HA SER 3 HA SER 3 3.289 -4.574 -13.821 21 HB2 SER 3 1HB SER 3 5.098 -6.034 -15.049 22 HB3 SER 3 2HB SER 3 3.776 -5.311 -15.966 23 HG SER 3 HG SER 3 5.133 -3.811 -16.770 24 H ARG 4 H ARG 4 3.879 -4.044 -11.665 25 HA ARG 4 HA ARG 4 6.635 -4.077 -10.855 26 HB2 ARG 4 1HB ARG 4 4.002 -3.818 -9.471 27 HB3 ARG 4 2HB ARG 4 5.410 -4.267 -8.518 28 HG2 ARG 4 1HG ARG 4 6.455 -2.185 -9.792 29 HG3 ARG 4 2HG ARG 4 4.757 -1.710 -9.855 30 HD2 ARG 4 1HD ARG 4 5.782 -0.780 -7.878 31 HD3 ARG 4 2HD ARG 4 4.614 -2.015 -7.411 32 HE ARG 4 HE ARG 4 7.202 -3.136 -7.641 33 HH11 ARG 4 1HH1 ARG 4 5.268 -1.100 -5.582 34 HH12 ARG 4 2HH1 ARG 4 6.137 -1.510 -4.140 35 HH21 ARG 4 1HH2 ARG 4 8.353 -3.684 -5.749 36 HH22 ARG 4 2HH2 ARG 4 7.892 -2.979 -4.237 37 H ASP 5 H ASP 5 4.089 -6.400 -11.180 38 HA ASP 5 HA ASP 5 4.023 -8.659 -10.919 39 HB2 ASP 5 1HB ASP 5 6.985 -8.712 -10.439 40 HB3 ASP 5 2HB ASP 5 5.976 -9.885 -11.281 41 H GLN 6 H GLN 6 3.332 -7.289 -8.710 42 HA GLN 6 HA GLN 6 4.748 -7.755 -6.360 43 HB2 GLN 6 1HB GLN 6 1.830 -7.358 -6.945 44 HB3 GLN 6 2HB GLN 6 2.378 -7.685 -5.306 45 HG2 GLN 6 1HG GLN 6 2.395 -5.418 -5.263 46 HG3 GLN 6 2HG GLN 6 4.037 -5.707 -5.836 47 HE21 GLN 6 2HE2 GLN 6 2.713 -3.310 -6.243 48 HE22 GLN 6 1HE2 GLN 6 2.411 -3.113 -7.933 49 H ALA 7 H ALA 7 2.886 -9.912 -8.309 50 HA ALA 7 HA ALA 7 2.198 -11.870 -6.432 51 HB1 ALA 7 1HB ALA 7 2.102 -11.575 -9.246 52 HB2 ALA 7 2HB ALA 7 2.855 -13.131 -8.896 53 HB3 ALA 7 3HB ALA 7 1.263 -12.754 -8.237 54 H HIS 8 H HIS 8 5.239 -11.098 -7.918 55 HA HIS 8 HA HIS 8 6.641 -13.466 -7.709 56 HB2 HIS 8 1HB HIS 8 7.497 -10.600 -7.379 57 HB3 HIS 8 2HB HIS 8 8.653 -11.921 -7.248 58 HD1 HIS 8 HD1 HIS 8 9.458 -10.279 -9.425 59 HD2 HIS 8 HD2 HIS 8 6.362 -12.999 -9.957 60 HE1 HIS 8 HE1 HIS 8 9.308 -10.650 -11.908 61 H LEU 9 H LEU 9 5.805 -11.160 -5.193 62 HA LEU 9 HA LEU 9 6.884 -13.044 -3.203 63 HB2 LEU 9 1HB LEU 9 7.241 -11.045 -1.739 64 HB3 LEU 9 2HB LEU 9 8.305 -11.156 -3.140 65 HG LEU 9 HG LEU 9 5.840 -9.491 -3.338 66 HD11 LEU 9 1HD1 LEU 9 8.144 -7.972 -2.466 67 HD12 LEU 9 2HD1 LEU 9 7.603 -9.114 -1.237 68 HD13 LEU 9 3HD1 LEU 9 6.477 -7.926 -1.893 69 HD21 LEU 9 3HD2 LEU 9 8.430 -8.562 -4.351 70 HD22 LEU 9 1HD2 LEU 9 6.856 -8.630 -5.143 71 HD23 LEU 9 2HD2 LEU 9 7.862 -10.075 -5.058 72 H GLY 10 H GLY 10 5.628 -13.484 -1.424 73 HA2 GLY 10 1HA GLY 10 2.825 -13.136 -1.699 74 HA3 GLY 10 2HA GLY 10 3.649 -13.808 -0.300 75 HA PRO 11 HA PRO 11 1.885 -9.457 0.483 76 HB2 PRO 11 1HB PRO 11 -0.256 -10.168 1.993 77 HB3 PRO 11 2HB PRO 11 -0.340 -9.974 0.238 78 HG2 PRO 11 1HG PRO 11 -0.071 -12.478 1.856 79 HG3 PRO 11 2HG PRO 11 -1.091 -12.166 0.440 80 HD2 PRO 11 1HD PRO 11 1.259 -13.502 0.276 81 HD3 PRO 11 2HD PRO 11 0.649 -12.477 -1.039 82 H LYS 12 H LYS 12 1.598 -8.474 2.660 83 HA LYS 12 HA LYS 12 3.473 -9.673 4.522 84 HB2 LYS 12 1HB LYS 12 2.254 -6.983 4.149 85 HB3 LYS 12 2HB LYS 12 2.784 -7.416 5.769 86 HG2 LYS 12 1HG LYS 12 5.010 -7.556 5.145 87 HG3 LYS 12 2HG LYS 12 4.620 -7.756 3.435 88 HD2 LYS 12 1HD LYS 12 4.049 -5.475 3.199 89 HD3 LYS 12 2HD LYS 12 4.008 -5.228 4.946 90 HE2 LYS 12 1HE LYS 12 6.029 -4.263 4.209 91 HE3 LYS 12 2HE LYS 12 6.474 -5.801 4.947 92 HZ1 LYS 12 3HZ LYS 12 7.665 -5.602 2.923 93 HZ2 LYS 12 1HZ LYS 12 6.275 -5.187 2.052 94 HZ3 LYS 12 2HZ LYS 12 6.455 -6.755 2.659 95 H TYR 13 H TYR 13 2.952 -9.576 6.893 96 HA TYR 13 HA TYR 13 0.122 -10.203 7.400 97 HB2 TYR 13 1HB TYR 13 2.543 -11.724 8.380 98 HB3 TYR 13 2HB TYR 13 0.915 -11.959 9.008 99 HD1 TYR 13 HD1 TYR 13 2.839 -12.036 5.814 100 HD2 TYR 13 HD2 TYR 13 -0.479 -13.532 8.017 101 HE1 TYR 13 HE1 TYR 13 2.390 -13.660 4.022 102 HE2 TYR 13 HE2 TYR 13 -0.937 -15.161 6.232 103 HH TYR 13 HH TYR 13 0.670 -15.032 3.170 104 H VAL 14 H VAL 14 -0.744 -9.328 9.197 105 HA VAL 14 HA VAL 14 1.079 -7.928 11.045 106 HB VAL 14 HB VAL 14 -0.346 -6.470 9.474 107 HG11 VAL 14 1HG1 VAL 14 -2.395 -8.009 10.216 108 HG12 VAL 14 2HG1 VAL 14 -2.547 -6.743 11.436 109 HG13 VAL 14 3HG1 VAL 14 -2.597 -6.328 9.722 110 HG21 VAL 14 3HG2 VAL 14 -0.109 -6.200 12.439 111 HG22 VAL 14 1HG2 VAL 14 0.711 -5.305 11.159 112 HG23 VAL 14 2HG2 VAL 14 -0.984 -4.976 11.519 113 H GLY 15 H GLY 15 0.600 -7.991 13.227 114 HA2 GLY 15 1HA GLY 15 -1.824 -8.944 14.319 115 HA3 GLY 15 2HA GLY 15 -0.672 -10.269 14.225 116 H LEU 16 H LEU 16 -0.094 -10.601 16.289 117 HA LEU 16 HA LEU 16 0.679 -10.224 18.401 118 HB2 LEU 16 1HB LEU 16 2.318 -8.488 16.626 119 HB3 LEU 16 2HB LEU 16 2.508 -8.317 18.370 120 HG LEU 16 HG LEU 16 3.292 -10.548 18.590 121 HD11 LEU 16 1HD1 LEU 16 3.479 -12.021 16.555 122 HD12 LEU 16 2HD1 LEU 16 2.399 -10.891 15.739 123 HD13 LEU 16 3HD1 LEU 16 1.845 -11.763 17.168 124 HD21 LEU 16 3HD2 LEU 16 5.247 -9.670 17.980 125 HD22 LEU 16 1HD2 LEU 16 4.510 -8.729 16.683 126 HD23 LEU 16 2HD2 LEU 16 4.972 -10.408 16.401 127 H TRP 17 H TRP 17 -1.438 -9.425 19.045 128 HA TRP 17 HA TRP 17 -2.062 -6.662 19.068 129 HB2 TRP 17 1HB TRP 17 -3.733 -8.510 19.285 130 HB3 TRP 17 2HB TRP 17 -3.129 -8.808 20.912 131 HD1 TRP 17 HD1 TRP 17 -3.582 -5.225 19.661 132 HE1 TRP 17 HE1 TRP 17 -5.477 -4.116 21.003 133 HE3 TRP 17 HE3 TRP 17 -5.270 -9.319 22.216 134 HZ2 TRP 17 HZ2 TRP 17 -7.429 -4.876 22.895 135 HZ3 TRP 17 HZ3 TRP 17 -7.155 -9.043 23.773 136 HH2 TRP 17 HH2 TRP 17 -8.210 -6.866 24.105 137 H ASP 18 H ASP 18 -0.231 -5.595 19.890 138 HA ASP 18 HA ASP 18 1.161 -4.716 21.470 139 HB2 ASP 18 1HB ASP 18 -1.499 -4.984 22.763 140 HB3 ASP 18 2HB ASP 18 -0.136 -4.618 23.818 141 H PHE 19 H PHE 19 1.416 -7.543 21.045 142 HA PHE 19 HA PHE 19 1.893 -8.678 23.682 143 HB2 PHE 19 1HB PHE 19 1.892 -9.750 20.886 144 HB3 PHE 19 2HB PHE 19 2.741 -10.636 22.149 145 HD1 PHE 19 HD2 PHE 19 1.174 -10.626 24.445 146 HD2 PHE 19 HD1 PHE 19 -0.156 -10.634 20.402 147 HE1 PHE 19 HE2 PHE 19 -0.947 -11.656 25.148 148 HE2 PHE 19 HE1 PHE 19 -2.280 -11.663 21.099 149 HZ PHE 19 HZ PHE 19 -2.677 -12.177 23.474 150 H LYS 20 H LYS 20 3.765 -8.452 24.691 151 HA LYS 20 HA LYS 20 6.212 -8.137 23.081 152 HB2 LYS 20 1HB LYS 20 5.722 -6.777 25.731 153 HB3 LYS 20 2HB LYS 20 7.069 -6.520 24.629 154 HG2 LYS 20 1HG LYS 20 4.209 -5.888 23.943 155 HG3 LYS 20 2HG LYS 20 5.342 -4.719 24.626 156 HD2 LYS 20 1HD LYS 20 6.837 -5.575 22.600 157 HD3 LYS 20 2HD LYS 20 5.249 -5.926 21.913 158 HE2 LYS 20 1HE LYS 20 5.961 -3.712 21.247 159 HE3 LYS 20 2HE LYS 20 4.580 -3.593 22.337 160 HZ1 LYS 20 3HZ LYS 20 6.989 -2.309 22.601 161 HZ2 LYS 20 1HZ LYS 20 7.041 -3.536 23.765 162 HZ3 LYS 20 2HZ LYS 20 5.772 -2.418 23.772 163 H SER 21 H SER 21 7.193 -10.057 23.306 164 HA SER 21 HA SER 21 7.271 -11.316 25.953 165 HB2 SER 21 1HB SER 21 7.777 -12.352 23.168 166 HB3 SER 21 2HB SER 21 8.260 -13.264 24.598 167 HG SER 21 HG SER 21 5.650 -12.473 23.833 168 H ARG 22 H ARG 22 9.489 -12.731 26.028 169 HA ARG 22 HA ARG 22 11.725 -10.925 25.433 170 HB2 ARG 22 1HB ARG 22 12.672 -11.343 27.670 171 HB3 ARG 22 2HB ARG 22 11.126 -10.510 27.752 172 HG2 ARG 22 1HG ARG 22 10.164 -12.915 28.043 173 HG3 ARG 22 2HG ARG 22 11.816 -13.304 28.525 174 HD2 ARG 22 1HD ARG 22 10.068 -11.172 29.750 175 HD3 ARG 22 2HD ARG 22 10.425 -12.747 30.457 176 HE ARG 22 HE ARG 22 12.812 -11.323 29.889 177 HH11 ARG 22 1HH1 ARG 22 10.156 -11.482 32.134 178 HH12 ARG 22 2HH1 ARG 22 11.061 -10.817 33.453 179 HH21 ARG 22 1HH2 ARG 22 14.014 -10.447 31.619 180 HH22 ARG 22 2HH2 ARG 22 13.255 -10.229 33.159 181 H THR 23 H THR 23 10.843 -13.341 24.128 182 HA THR 23 HA THR 23 13.311 -14.881 24.395 183 HB THR 23 HB THR 23 11.879 -17.011 24.115 184 HG1 THR 23 HG1 THR 23 9.951 -15.314 25.352 185 HG21 THR 23 3HG2 THR 23 11.686 -17.287 26.530 186 HG22 THR 23 1HG2 THR 23 11.846 -15.546 26.757 187 HG23 THR 23 2HG2 THR 23 13.200 -16.481 26.121 188 H ASP 24 H ASP 24 13.858 -16.102 22.533 189 HA ASP 24 HA ASP 24 13.253 -14.882 20.090 190 HB2 ASP 24 1HB ASP 24 14.467 -17.574 20.722 191 HB3 ASP 24 2HB ASP 24 14.342 -16.937 19.085 192 H GLU 25 H GLU 25 11.584 -17.308 21.858 193 HA GLU 25 HA GLU 25 10.223 -18.556 19.704 194 HB2 GLU 25 1HB GLU 25 9.197 -18.312 22.529 195 HB3 GLU 25 2HB GLU 25 8.844 -19.575 21.358 196 HG2 GLU 25 1HG GLU 25 11.309 -20.152 21.451 197 HG3 GLU 25 2HG GLU 25 11.395 -19.098 22.862 198 H GLU 26 H GLU 26 9.971 -15.475 21.033 199 HA GLU 26 HA GLU 26 7.449 -15.037 19.611 200 HB2 GLU 26 1HB GLU 26 7.981 -14.482 22.504 201 HB3 GLU 26 2HB GLU 26 6.911 -13.415 21.605 202 HG2 GLU 26 1HG GLU 26 5.870 -15.785 20.908 203 HG3 GLU 26 2HG GLU 26 6.508 -16.192 22.500 204 H LEU 27 H LEU 27 7.063 -12.790 19.069 205 HA LEU 27 HA LEU 27 9.565 -11.402 18.525 206 HB2 LEU 27 1HB LEU 27 6.749 -11.088 17.534 207 HB3 LEU 27 2HB LEU 27 7.989 -9.881 17.201 208 HG LEU 27 HG LEU 27 7.786 -11.292 15.287 209 HD11 LEU 27 1HD1 LEU 27 10.226 -12.417 16.578 210 HD12 LEU 27 2HD1 LEU 27 10.106 -10.677 16.322 211 HD13 LEU 27 3HD1 LEU 27 10.004 -11.778 14.949 212 HD21 LEU 27 3HD2 LEU 27 6.735 -13.202 16.480 213 HD22 LEU 27 1HD2 LEU 27 8.331 -13.654 17.078 214 HD23 LEU 27 2HD2 LEU 27 7.999 -13.682 15.346 215 H SER 28 H SER 28 10.081 -9.377 19.252 216 HA SER 28 HA SER 28 8.493 -8.404 21.514 217 HB2 SER 28 1HB SER 28 10.532 -7.077 22.066 218 HB3 SER 28 2HB SER 28 10.830 -8.814 22.018 219 HG SER 28 HG SER 28 11.955 -6.855 20.552 220 H PHE 29 H PHE 29 6.889 -7.514 20.020 221 HA PHE 29 HA PHE 29 7.424 -4.739 19.497 222 HB2 PHE 29 1HB PHE 29 7.917 -6.500 17.398 223 HB3 PHE 29 2HB PHE 29 6.311 -5.866 17.057 224 HD1 PHE 29 HD2 PHE 29 9.850 -5.006 17.504 225 HD2 PHE 29 HD1 PHE 29 5.982 -3.581 16.442 226 HE1 PHE 29 HE2 PHE 29 10.858 -2.952 16.600 227 HE2 PHE 29 HE1 PHE 29 6.985 -1.525 15.535 228 HZ PHE 29 HZ PHE 29 9.426 -1.208 15.614 229 H ARG 30 H ARG 30 5.458 -3.594 18.729 230 HA ARG 30 HA ARG 30 3.105 -4.780 19.984 231 HB2 ARG 30 1HB ARG 30 2.203 -2.579 20.083 232 HB3 ARG 30 2HB ARG 30 3.895 -2.452 20.546 233 HG2 ARG 30 1HG ARG 30 4.465 -1.631 18.336 234 HG3 ARG 30 2HG ARG 30 2.788 -1.816 17.820 235 HD2 ARG 30 1HD ARG 30 3.724 -0.024 20.058 236 HD3 ARG 30 2HD ARG 30 3.374 0.513 18.415 237 HE ARG 30 HE ARG 30 1.092 -0.746 19.218 238 HH11 ARG 30 1HH1 ARG 30 3.032 1.860 20.469 239 HH12 ARG 30 2HH1 ARG 30 1.694 2.672 21.213 240 HH21 ARG 30 1HH2 ARG 30 -0.677 0.314 20.193 241 HH22 ARG 30 2HH2 ARG 30 -0.415 1.791 21.056 242 H ALA 31 H ALA 31 0.959 -4.289 18.917 243 HA ALA 31 HA ALA 31 0.844 -5.541 16.405 244 HB1 ALA 31 1HB ALA 31 -1.226 -5.791 17.176 245 HB2 ALA 31 2HB ALA 31 -1.028 -4.465 18.322 246 HB3 ALA 31 3HB ALA 31 -1.539 -4.131 16.667 247 H GLY 32 H GLY 32 -0.254 -4.561 14.459 248 HA2 GLY 32 1HA GLY 32 -0.625 -2.730 13.010 249 HA3 GLY 32 2HA GLY 32 0.338 -1.720 14.078 250 H ASP 33 H ASP 33 2.416 -3.924 14.141 251 HA ASP 33 HA ASP 33 3.938 -2.941 11.903 252 HB2 ASP 33 1HB ASP 33 4.477 -4.363 14.390 253 HB3 ASP 33 2HB ASP 33 5.398 -5.013 13.036 254 H VAL 34 H VAL 34 4.614 -4.059 10.110 255 HA VAL 34 HA VAL 34 3.059 -6.446 9.461 256 HB VAL 34 HB VAL 34 3.732 -6.079 7.157 257 HG11 VAL 34 1HG1 VAL 34 2.747 -3.803 6.824 258 HG12 VAL 34 2HG1 VAL 34 1.787 -4.876 7.844 259 HG13 VAL 34 3HG1 VAL 34 2.766 -3.604 8.576 260 HG21 VAL 34 3HG2 VAL 34 5.499 -3.957 8.345 261 HG22 VAL 34 1HG2 VAL 34 5.953 -5.314 7.313 262 HG23 VAL 34 2HG2 VAL 34 5.042 -3.961 6.641 263 H PHE 35 H PHE 35 4.013 -8.337 8.608 264 HA PHE 35 HA PHE 35 6.901 -8.625 8.765 265 HB2 PHE 35 1HB PHE 35 6.433 -10.819 10.134 266 HB3 PHE 35 2HB PHE 35 6.586 -9.272 10.962 267 HD1 PHE 35 HD2 PHE 35 4.247 -11.871 9.855 268 HD2 PHE 35 HD1 PHE 35 4.711 -8.247 12.037 269 HE1 PHE 35 HE2 PHE 35 2.021 -12.191 10.852 270 HE2 PHE 35 HE1 PHE 35 2.486 -8.561 13.039 271 HZ PHE 35 HZ PHE 35 1.137 -10.534 12.446 272 H HIS 36 H HIS 36 7.599 -10.815 8.005 273 HA HIS 36 HA HIS 36 5.645 -12.029 6.175 274 HB2 HIS 36 1HB HIS 36 7.130 -10.478 4.923 275 HB3 HIS 36 2HB HIS 36 8.521 -11.410 5.469 276 HD1 HIS 36 HD1 HIS 36 9.190 -13.347 4.050 277 HD2 HIS 36 HD2 HIS 36 5.342 -12.029 3.202 278 HE1 HIS 36 HE1 HIS 36 8.459 -14.657 2.031 279 H VAL 37 H VAL 37 5.755 -14.223 5.962 280 HA VAL 37 HA VAL 37 7.277 -15.639 7.960 281 HB VAL 37 HB VAL 37 5.502 -16.794 5.807 282 HG11 VAL 37 1HG1 VAL 37 5.767 -18.134 8.404 283 HG12 VAL 37 2HG1 VAL 37 5.767 -18.806 6.772 284 HG13 VAL 37 3HG1 VAL 37 7.241 -18.099 7.437 285 HG21 VAL 37 3HG2 VAL 37 3.868 -15.679 6.870 286 HG22 VAL 37 1HG2 VAL 37 4.059 -16.915 8.113 287 HG23 VAL 37 2HG2 VAL 37 4.871 -15.359 8.285 288 H ALA 38 H ALA 38 9.174 -16.613 7.685 289 HA ALA 38 HA ALA 38 10.350 -16.680 5.017 290 HB1 ALA 38 1HB ALA 38 12.407 -16.686 6.017 291 HB2 ALA 38 2HB ALA 38 11.461 -15.861 7.257 292 HB3 ALA 38 3HB ALA 38 11.841 -17.574 7.432 293 H ARG 39 H ARG 39 9.139 -18.829 7.476 294 HA ARG 39 HA ARG 39 9.409 -21.066 5.632 295 HB2 ARG 39 1HB ARG 39 10.615 -21.005 8.394 296 HB3 ARG 39 2HB ARG 39 10.245 -22.508 7.560 297 HG2 ARG 39 1HG ARG 39 12.028 -20.384 6.401 298 HG3 ARG 39 2HG ARG 39 12.621 -21.718 7.392 299 HD2 ARG 39 1HD ARG 39 11.824 -23.329 5.806 300 HD3 ARG 39 2HD ARG 39 11.004 -22.076 4.875 301 HE ARG 39 HE ARG 39 13.677 -21.376 4.943 302 HH11 ARG 39 1HH1 ARG 39 11.755 -24.033 3.772 303 HH12 ARG 39 2HH1 ARG 39 12.838 -24.415 2.475 304 HH21 ARG 39 1HH2 ARG 39 15.110 -21.869 3.238 305 HH22 ARG 39 2HH2 ARG 39 14.747 -23.184 2.173 306 H LYS 40 H LYS 40 7.646 -22.313 5.644 307 HA LYS 40 HA LYS 40 5.708 -21.922 7.825 308 HB2 LYS 40 1HB LYS 40 4.055 -22.824 6.107 309 HB3 LYS 40 2HB LYS 40 4.706 -21.218 5.809 310 HG2 LYS 40 1HG LYS 40 6.302 -22.164 4.213 311 HG3 LYS 40 2HG LYS 40 5.631 -23.771 4.504 312 HD2 LYS 40 1HD LYS 40 3.429 -22.942 3.724 313 HD3 LYS 40 2HD LYS 40 4.182 -21.393 3.340 314 HE2 LYS 40 1HE LYS 40 4.846 -24.075 2.131 315 HE3 LYS 40 2HE LYS 40 4.009 -22.741 1.339 316 HZ1 LYS 40 3HZ LYS 40 6.076 -22.309 0.593 317 HZ2 LYS 40 1HZ LYS 40 6.844 -23.092 1.881 318 HZ3 LYS 40 2HZ LYS 40 6.242 -21.524 2.082 319 H GLU 41 H GLU 41 5.764 -23.525 9.254 320 HA GLU 41 HA GLU 41 6.243 -26.262 8.282 321 HB2 GLU 41 1HB GLU 41 7.725 -25.035 10.105 322 HB3 GLU 41 2HB GLU 41 6.437 -25.566 11.177 323 HG2 GLU 41 1HG GLU 41 8.326 -27.129 11.112 324 HG3 GLU 41 2HG GLU 41 6.816 -27.864 10.575 325 H GLU 42 H GLU 42 5.133 -27.988 9.562 326 HA GLU 42 HA GLU 42 2.327 -27.477 9.603 327 HB2 GLU 42 1HB GLU 42 2.060 -29.795 10.051 328 HB3 GLU 42 2HB GLU 42 3.424 -29.654 8.950 329 HG2 GLU 42 1HG GLU 42 4.974 -29.932 10.793 330 HG3 GLU 42 2HG GLU 42 3.631 -30.004 11.932 331 H GLN 43 H GLN 43 4.839 -27.499 11.984 332 HA GLN 43 HA GLN 43 2.977 -27.626 14.210 333 HB2 GLN 43 1HB GLN 43 5.972 -27.213 14.179 334 HB3 GLN 43 2HB GLN 43 4.991 -27.465 15.617 335 HG2 GLN 43 1HG GLN 43 4.281 -29.655 14.361 336 HG3 GLN 43 2HG GLN 43 5.804 -29.398 13.511 337 HE21 GLN 43 2HE2 GLN 43 7.086 -30.923 14.332 338 HE22 GLN 43 1HE2 GLN 43 7.440 -31.126 16.011 339 H TRP 44 H TRP 44 5.652 -25.376 13.518 340 HA TRP 44 HA TRP 44 3.850 -23.159 14.237 341 HB2 TRP 44 1HB TRP 44 6.795 -23.276 14.909 342 HB3 TRP 44 2HB TRP 44 5.628 -22.062 15.426 343 HD1 TRP 44 HD1 TRP 44 6.696 -25.676 16.130 344 HE1 TRP 44 HE1 TRP 44 5.740 -26.381 18.414 345 HE3 TRP 44 HE3 TRP 44 3.762 -21.598 17.076 346 HZ2 TRP 44 HZ2 TRP 44 3.976 -25.346 20.359 347 HZ3 TRP 44 HZ3 TRP 44 2.472 -21.534 19.171 348 HH2 TRP 44 HH2 TRP 44 2.578 -23.370 20.776 349 H TRP 45 H TRP 45 4.421 -21.082 13.317 350 HA TRP 45 HA TRP 45 5.717 -21.395 10.698 351 HB2 TRP 45 1HB TRP 45 3.529 -19.618 11.715 352 HB3 TRP 45 2HB TRP 45 4.487 -19.108 10.328 353 HD1 TRP 45 HD1 TRP 45 3.676 -22.806 10.704 354 HE1 TRP 45 HE1 TRP 45 2.023 -23.491 8.854 355 HE3 TRP 45 HE3 TRP 45 2.579 -18.173 8.840 356 HZ2 TRP 45 HZ2 TRP 45 0.461 -22.234 6.867 357 HZ3 TRP 45 HZ3 TRP 45 0.996 -18.002 6.964 358 HH2 TRP 45 HH2 TRP 45 -0.039 -19.991 5.999 359 H TRP 46 H TRP 46 7.481 -20.242 10.164 360 HA TRP 46 HA TRP 46 8.735 -18.656 12.248 361 HB2 TRP 46 1HB TRP 46 9.686 -19.682 9.575 362 HB3 TRP 46 2HB TRP 46 10.649 -18.589 10.566 363 HD1 TRP 46 HD1 TRP 46 8.852 -22.000 11.110 364 HE1 TRP 46 HE1 TRP 46 10.391 -23.473 12.555 365 HE3 TRP 46 HE3 TRP 46 12.686 -18.697 11.840 366 HZ2 TRP 46 HZ2 TRP 46 12.898 -23.263 13.835 367 HZ3 TRP 46 HZ3 TRP 46 14.617 -19.412 13.187 368 HH2 TRP 46 HH2 TRP 46 14.719 -21.647 14.163 369 H ALA 47 H ALA 47 8.400 -16.546 12.386 370 HA ALA 47 HA ALA 47 7.925 -15.030 9.901 371 HB1 ALA 47 1HB ALA 47 5.904 -15.170 11.274 372 HB2 ALA 47 2HB ALA 47 6.778 -14.459 12.631 373 HB3 ALA 47 3HB ALA 47 6.503 -13.514 11.168 374 H THR 48 H THR 48 8.722 -12.862 9.844 375 HA THR 48 HA THR 48 10.840 -12.290 11.809 376 HB THR 48 HB THR 48 11.055 -11.783 8.835 377 HG1 THR 48 HG1 THR 48 12.480 -13.685 10.405 378 HG21 THR 48 3HG2 THR 48 12.348 -10.522 10.922 379 HG22 THR 48 1HG2 THR 48 12.914 -10.603 9.254 380 HG23 THR 48 2HG2 THR 48 13.489 -11.777 10.439 381 H LEU 49 H LEU 49 10.622 -10.372 12.747 382 HA LEU 49 HA LEU 49 8.632 -8.510 11.817 383 HB2 LEU 49 1HB LEU 49 9.985 -9.074 14.261 384 HB3 LEU 49 2HB LEU 49 10.203 -7.368 13.877 385 HG LEU 49 HG LEU 49 8.253 -7.923 15.370 386 HD11 LEU 49 1HD1 LEU 49 8.567 -5.972 13.516 387 HD12 LEU 49 2HD1 LEU 49 7.225 -6.060 14.657 388 HD13 LEU 49 3HD1 LEU 49 7.028 -6.672 13.015 389 HD21 LEU 49 3HD2 LEU 49 7.730 -9.913 13.632 390 HD22 LEU 49 1HD2 LEU 49 6.642 -8.668 13.017 391 HD23 LEU 49 2HD2 LEU 49 6.517 -9.196 14.695 392 H LEU 50 H LEU 50 9.003 -7.007 10.340 393 HA LEU 50 HA LEU 50 11.741 -5.959 10.049 394 HB2 LEU 50 1HB LEU 50 9.819 -5.525 7.863 395 HB3 LEU 50 2HB LEU 50 11.527 -5.953 7.804 396 HG LEU 50 HG LEU 50 9.265 -7.871 8.367 397 HD11 LEU 50 1HD1 LEU 50 10.980 -7.693 5.903 398 HD12 LEU 50 2HD1 LEU 50 9.391 -6.941 6.033 399 HD13 LEU 50 3HD1 LEU 50 9.550 -8.692 6.165 400 HD21 LEU 50 3HD2 LEU 50 11.618 -8.271 9.357 401 HD22 LEU 50 1HD2 LEU 50 12.087 -8.606 7.691 402 HD23 LEU 50 2HD2 LEU 50 10.835 -9.577 8.466 403 H ASP 51 H ASP 51 11.888 -3.697 9.297 404 HA ASP 51 HA ASP 51 10.188 -2.018 10.900 405 HB2 ASP 51 1HB ASP 51 12.776 -1.819 10.248 406 HB3 ASP 51 2HB ASP 51 12.102 -0.827 8.959 407 H GLU 52 H GLU 52 9.617 0.208 9.735 408 HA GLU 52 HA GLU 52 7.450 -0.306 8.059 409 HB2 GLU 52 1HB GLU 52 7.286 2.085 7.762 410 HB3 GLU 52 2HB GLU 52 7.730 1.744 9.428 411 HG2 GLU 52 1HG GLU 52 10.092 2.218 8.839 412 HG3 GLU 52 2HG GLU 52 9.550 2.696 7.230 413 H ALA 53 H ALA 53 10.799 0.350 7.320 414 HA ALA 53 HA ALA 53 10.352 0.808 4.517 415 HB1 ALA 53 1HB ALA 53 12.436 1.294 6.276 416 HB2 ALA 53 2HB ALA 53 13.059 0.037 5.206 417 HB3 ALA 53 3HB ALA 53 12.452 1.549 4.530 418 H GLY 54 H GLY 54 10.661 -1.941 6.527 419 HA2 GLY 54 1HA GLY 54 10.013 -4.084 5.593 420 HA3 GLY 54 2HA GLY 54 10.872 -3.641 4.125 421 H GLY 55 H GLY 55 12.945 -2.520 6.231 422 HA2 GLY 55 1HA GLY 55 14.762 -4.673 5.969 423 HA3 GLY 55 2HA GLY 55 14.989 -3.253 6.980 424 H ALA 56 H ALA 56 15.032 -6.450 7.135 425 HA ALA 56 HA ALA 56 13.362 -7.295 9.159 426 HB1 ALA 56 1HB ALA 56 15.186 -8.936 9.714 427 HB2 ALA 56 2HB ALA 56 14.693 -8.895 8.020 428 HB3 ALA 56 3HB ALA 56 16.189 -8.108 8.522 429 H VAL 57 H VAL 57 13.665 -7.574 11.431 430 HA VAL 57 HA VAL 57 15.698 -5.922 12.718 431 HB VAL 57 HB VAL 57 12.783 -5.610 13.432 432 HG11 VAL 57 1HG1 VAL 57 13.538 -4.607 15.261 433 HG12 VAL 57 2HG1 VAL 57 15.197 -4.957 14.773 434 HG13 VAL 57 3HG1 VAL 57 14.427 -3.452 14.270 435 HG21 VAL 57 3HG2 VAL 57 12.955 -3.367 12.410 436 HG22 VAL 57 1HG2 VAL 57 14.554 -3.794 11.799 437 HG23 VAL 57 2HG2 VAL 57 13.131 -4.667 11.231 438 H ALA 58 H ALA 58 12.691 -7.582 13.681 439 HA ALA 58 HA ALA 58 14.261 -9.067 15.680 440 HB1 ALA 58 1HB ALA 58 12.316 -7.521 16.360 441 HB2 ALA 58 2HB ALA 58 11.277 -8.808 15.749 442 HB3 ALA 58 3HB ALA 58 12.398 -9.133 17.071 443 H GLN 59 H GLN 59 13.709 -11.295 16.073 444 HA GLN 59 HA GLN 59 12.387 -12.626 13.808 445 HB2 GLN 59 1HB GLN 59 14.854 -13.703 15.168 446 HB3 GLN 59 2HB GLN 59 14.080 -14.309 13.710 447 HG2 GLN 59 1HG GLN 59 14.623 -11.863 12.854 448 HG3 GLN 59 2HG GLN 59 15.882 -11.987 14.082 449 HE21 GLN 59 2HE2 GLN 59 17.517 -13.510 13.838 450 HE22 GLN 59 1HE2 GLN 59 17.839 -14.279 12.325 451 H GLY 60 H GLY 60 11.126 -14.378 14.294 452 HA2 GLY 60 1HA GLY 60 11.231 -15.896 16.646 453 HA3 GLY 60 2HA GLY 60 10.089 -14.586 16.905 454 H TYR 61 H TYR 61 9.607 -17.466 16.795 455 HA TYR 61 HA TYR 61 7.921 -17.648 14.392 456 HB2 TYR 61 1HB TYR 61 7.885 -20.085 14.835 457 HB3 TYR 61 2HB TYR 61 9.517 -19.469 14.594 458 HD1 TYR 61 HD1 TYR 61 7.104 -20.624 17.150 459 HD2 TYR 61 HD2 TYR 61 11.159 -19.656 16.297 460 HE1 TYR 61 HE1 TYR 61 7.786 -21.615 19.295 461 HE2 TYR 61 HE2 TYR 61 11.852 -20.645 18.439 462 HH TYR 61 HH TYR 61 10.907 -22.420 20.039 463 H VAL 62 H VAL 62 5.750 -18.004 14.541 464 HA VAL 62 HA VAL 62 4.523 -18.528 17.121 465 HB VAL 62 HB VAL 62 2.913 -16.569 16.729 466 HG11 VAL 62 1HG1 VAL 62 5.562 -15.447 17.415 467 HG12 VAL 62 2HG1 VAL 62 4.038 -15.389 18.303 468 HG13 VAL 62 3HG1 VAL 62 5.029 -16.848 18.344 469 HG21 VAL 62 3HG2 VAL 62 3.471 -14.843 15.322 470 HG22 VAL 62 1HG2 VAL 62 5.190 -15.233 15.349 471 HG23 VAL 62 2HG2 VAL 62 4.078 -16.217 14.398 472 HA PRO 63 HA PRO 63 1.537 -20.645 14.698 473 HB2 PRO 63 1HB PRO 63 -0.696 -20.359 16.217 474 HB3 PRO 63 2HB PRO 63 0.647 -21.415 16.672 475 HG2 PRO 63 1HG PRO 63 0.009 -18.647 17.616 476 HG3 PRO 63 2HG PRO 63 0.546 -20.053 18.554 477 HD2 PRO 63 1HD PRO 63 2.232 -18.069 17.809 478 HD3 PRO 63 2HD PRO 63 2.756 -19.757 17.969 479 H HIS 64 H HIS 64 -0.170 -20.366 13.246 480 HA HIS 64 HA HIS 64 -0.482 -17.834 12.110 481 HB2 HIS 64 1HB HIS 64 -0.868 -19.885 10.846 482 HB3 HIS 64 2HB HIS 64 -2.261 -20.268 11.854 483 HD1 HIS 64 HD1 HIS 64 -4.436 -19.588 10.904 484 HD2 HIS 64 HD2 HIS 64 -1.312 -17.304 9.393 485 HE1 HIS 64 HE1 HIS 64 -5.478 -18.076 9.186 486 H ASN 65 H ASN 65 -2.088 -19.302 14.771 487 HA ASN 65 HA ASN 65 -4.440 -17.649 14.662 488 HB2 ASN 65 1HB ASN 65 -4.147 -19.996 15.758 489 HB3 ASN 65 2HB ASN 65 -3.518 -19.089 17.130 490 HD21 ASN 65 2HD2 ASN 65 -6.242 -18.900 14.859 491 HD22 ASN 65 1HD2 ASN 65 -7.437 -18.562 16.060 492 H TYR 66 H TYR 66 -1.300 -16.990 15.378 493 HA TYR 66 HA TYR 66 -1.853 -15.143 17.569 494 HB2 TYR 66 1HB TYR 66 0.271 -16.714 17.199 495 HB3 TYR 66 2HB TYR 66 0.841 -15.306 16.310 496 HD1 TYR 66 HD2 TYR 66 -0.774 -16.113 19.587 497 HD2 TYR 66 HD1 TYR 66 2.058 -13.737 17.480 498 HE1 TYR 66 HE2 TYR 66 -0.090 -15.063 21.703 499 HE2 TYR 66 HE1 TYR 66 2.751 -12.682 19.591 500 HH TYR 66 HH TYR 66 1.874 -13.897 22.628 501 H LEU 67 H LEU 67 -0.949 -15.147 14.173 502 HA LEU 67 HA LEU 67 -1.313 -12.222 14.138 503 HB2 LEU 67 1HB LEU 67 0.190 -12.263 12.121 504 HB3 LEU 67 2HB LEU 67 0.963 -12.598 13.669 505 HG LEU 67 HG LEU 67 0.529 -15.107 12.917 506 HD11 LEU 67 1HD1 LEU 67 -0.512 -14.962 10.883 507 HD12 LEU 67 2HD1 LEU 67 1.175 -15.043 10.377 508 HD13 LEU 67 3HD1 LEU 67 0.343 -13.489 10.424 509 HD21 LEU 67 3HD2 LEU 67 2.821 -14.148 11.448 510 HD22 LEU 67 1HD2 LEU 67 2.751 -15.131 12.911 511 HD23 LEU 67 2HD2 LEU 67 2.704 -13.371 13.028 512 H ALA 68 H ALA 68 -2.107 -11.354 12.072 513 HA ALA 68 HA ALA 68 -3.876 -13.273 10.698 514 HB1 ALA 68 1HB ALA 68 -4.969 -11.551 12.227 515 HB2 ALA 68 2HB ALA 68 -4.503 -10.354 11.018 516 HB3 ALA 68 3HB ALA 68 -5.587 -11.673 10.579 517 H GLU 69 H GLU 69 -4.156 -13.051 8.475 518 HA GLU 69 HA GLU 69 -1.942 -11.776 7.111 519 HB2 GLU 69 1HB GLU 69 -2.743 -12.938 5.128 520 HB3 GLU 69 2HB GLU 69 -2.640 -14.050 6.485 521 HG2 GLU 69 1HG GLU 69 -5.240 -12.719 5.983 522 HG3 GLU 69 2HG GLU 69 -4.729 -13.987 4.871 523 H ARG 70 H ARG 70 -2.115 -10.202 5.506 524 HA ARG 70 HA ARG 70 -4.692 -8.776 5.410 525 HB2 ARG 70 1HB ARG 70 -3.122 -6.722 5.001 526 HB3 ARG 70 2HB ARG 70 -3.422 -7.288 6.639 527 HG2 ARG 70 1HG ARG 70 -1.304 -8.532 6.578 528 HG3 ARG 70 2HG ARG 70 -1.001 -7.901 4.958 529 HD2 ARG 70 1HD ARG 70 -1.620 -5.689 6.586 530 HD3 ARG 70 2HD ARG 70 -0.491 -6.687 7.501 531 HE ARG 70 HE ARG 70 1.158 -6.162 5.991 532 HH11 ARG 70 1HH1 ARG 70 -1.937 -5.193 4.725 533 HH12 ARG 70 2HH1 ARG 70 -1.263 -4.310 3.396 534 HH21 ARG 70 1HH2 ARG 70 2.057 -5.003 4.244 535 HH22 ARG 70 2HH2 ARG 70 1.009 -4.203 3.122 536 H GLU 71 H GLU 71 -3.673 -10.802 3.594 537 HA GLU 71 HA GLU 71 -2.544 -9.733 1.270 538 HB2 GLU 71 1HB GLU 71 -3.430 -11.720 0.131 539 HB3 GLU 71 2HB GLU 71 -2.681 -12.134 1.667 540 HG2 GLU 71 1HG GLU 71 -5.126 -11.925 2.571 541 HG3 GLU 71 2HG GLU 71 -5.550 -12.189 0.880 542 H THR 72 H THR 72 -3.828 -9.830 -0.900 543 HA THR 72 HA THR 72 -6.206 -8.129 -0.554 544 HB THR 72 HB THR 72 -4.371 -8.310 -2.951 545 HG1 THR 72 HG1 THR 72 -4.523 -6.519 -0.760 546 HG21 THR 72 3HG2 THR 72 -5.575 -6.219 -3.625 547 HG22 THR 72 1HG2 THR 72 -6.722 -6.527 -2.322 548 HG23 THR 72 2HG2 THR 72 -6.571 -7.673 -3.654 Start of MODEL 8 1 H1 MET 1 H MET 1 14.932 4.291 -5.356 2 HA MET 1 HA MET 1 16.902 2.334 -5.748 3 HB2 MET 1 1HB MET 1 15.427 2.725 -3.696 4 HB3 MET 1 2HB MET 1 14.196 1.794 -4.539 5 HG2 MET 1 1HG MET 1 15.256 0.260 -3.141 6 HG3 MET 1 2HG MET 1 15.936 -0.041 -4.738 7 HE1 MET 1 3HE MET 1 18.053 0.759 -0.941 8 HE2 MET 1 1HE MET 1 16.338 0.485 -1.252 9 HE3 MET 1 2HE MET 1 17.509 -0.788 -1.594 10 H VAL 2 H VAL 2 17.090 0.702 -7.145 11 HA VAL 2 HA VAL 2 15.279 0.406 -9.306 12 HB VAL 2 HB VAL 2 16.666 -1.517 -9.970 13 HG11 VAL 2 1HG1 VAL 2 17.853 0.121 -10.899 14 HG12 VAL 2 2HG1 VAL 2 17.602 1.179 -9.509 15 HG13 VAL 2 3HG1 VAL 2 18.934 0.023 -9.510 16 HG21 VAL 2 3HG2 VAL 2 18.814 -1.700 -8.419 17 HG22 VAL 2 1HG2 VAL 2 17.648 -1.223 -7.185 18 HG23 VAL 2 2HG2 VAL 2 17.374 -2.679 -8.141 19 H SER 3 H SER 3 13.777 -1.157 -9.756 20 HA SER 3 HA SER 3 12.859 -2.723 -7.459 21 HB2 SER 3 1HB SER 3 10.753 -2.962 -8.720 22 HB3 SER 3 2HB SER 3 11.202 -1.267 -8.532 23 HG SER 3 HG SER 3 11.864 -1.217 -10.646 24 H ARG 4 H ARG 4 15.166 -3.463 -9.168 25 HA ARG 4 HA ARG 4 14.317 -5.707 -10.751 26 HB2 ARG 4 1HB ARG 4 16.934 -4.478 -10.009 27 HB3 ARG 4 2HB ARG 4 16.926 -6.139 -10.587 28 HG2 ARG 4 1HG ARG 4 15.657 -3.869 -12.094 29 HG3 ARG 4 2HG ARG 4 17.330 -4.378 -12.328 30 HD2 ARG 4 1HD ARG 4 15.176 -6.430 -12.469 31 HD3 ARG 4 2HD ARG 4 15.381 -5.326 -13.829 32 HE ARG 4 HE ARG 4 17.885 -6.376 -13.165 33 HH11 ARG 4 1HH1 ARG 4 14.830 -7.428 -14.462 34 HH12 ARG 4 2HH1 ARG 4 15.521 -8.714 -15.396 35 HH21 ARG 4 1HH2 ARG 4 18.807 -8.066 -14.391 36 HH22 ARG 4 2HH2 ARG 4 17.783 -9.076 -15.354 37 H ASP 5 H ASP 5 15.904 -5.262 -7.612 38 HA ASP 5 HA ASP 5 16.399 -7.920 -6.983 39 HB2 ASP 5 1HB ASP 5 17.084 -5.811 -5.701 40 HB3 ASP 5 2HB ASP 5 15.495 -5.892 -4.945 41 H GLN 6 H GLN 6 13.423 -6.078 -6.797 42 HA GLN 6 HA GLN 6 12.039 -8.452 -5.746 43 HB2 GLN 6 1HB GLN 6 11.914 -6.141 -4.575 44 HB3 GLN 6 2HB GLN 6 10.825 -5.708 -5.886 45 HG2 GLN 6 1HG GLN 6 9.239 -7.320 -5.241 46 HG3 GLN 6 2HG GLN 6 10.382 -8.127 -4.168 47 HE21 GLN 6 2HE2 GLN 6 7.762 -6.201 -4.218 48 HE22 GLN 6 1HE2 GLN 6 7.959 -5.378 -2.712 49 H ALA 7 H ALA 7 11.614 -9.614 -7.572 50 HA ALA 7 HA ALA 7 10.626 -8.399 -9.975 51 HB1 ALA 7 1HB ALA 7 10.396 -10.702 -10.787 52 HB2 ALA 7 2HB ALA 7 11.987 -10.408 -10.085 53 HB3 ALA 7 3HB ALA 7 10.772 -11.302 -9.172 54 H HIS 8 H HIS 8 9.217 -10.300 -7.339 55 HA HIS 8 HA HIS 8 6.660 -9.090 -7.687 56 HB2 HIS 8 1HB HIS 8 5.405 -11.135 -8.258 57 HB3 HIS 8 2HB HIS 8 6.515 -10.669 -9.542 58 HD1 HIS 8 HD1 HIS 8 5.878 -13.338 -7.018 59 HD2 HIS 8 HD2 HIS 8 8.647 -12.446 -9.983 60 HE1 HIS 8 HE1 HIS 8 7.207 -15.446 -7.352 61 H LEU 9 H LEU 9 5.241 -9.536 -5.974 62 HA LEU 9 HA LEU 9 5.945 -11.506 -3.984 63 HB2 LEU 9 1HB LEU 9 6.466 -8.607 -3.629 64 HB3 LEU 9 2HB LEU 9 5.797 -9.487 -2.256 65 HG LEU 9 HG LEU 9 8.378 -10.149 -3.673 66 HD11 LEU 9 1HD1 LEU 9 8.223 -9.215 -0.854 67 HD12 LEU 9 2HD1 LEU 9 8.107 -8.022 -2.148 68 HD13 LEU 9 3HD1 LEU 9 9.529 -9.058 -2.029 69 HD21 LEU 9 3HD2 LEU 9 6.873 -11.422 -1.421 70 HD22 LEU 9 1HD2 LEU 9 8.630 -11.541 -1.510 71 HD23 LEU 9 2HD2 LEU 9 7.636 -12.175 -2.822 72 H GLY 10 H GLY 10 4.411 -11.219 -2.008 73 HA2 GLY 10 1HA GLY 10 1.734 -10.680 -3.114 74 HA3 GLY 10 2HA GLY 10 2.081 -11.806 -1.811 75 HA PRO 11 HA PRO 11 0.476 -7.873 0.049 76 HB2 PRO 11 1HB PRO 11 -1.266 -9.102 1.729 77 HB3 PRO 11 2HB PRO 11 -1.678 -8.670 0.065 78 HG2 PRO 11 1HG PRO 11 -0.830 -11.315 1.182 79 HG3 PRO 11 2HG PRO 11 -2.112 -10.954 0.011 80 HD2 PRO 11 1HD PRO 11 0.316 -11.893 -0.732 81 HD3 PRO 11 2HD PRO 11 -0.633 -10.790 -1.749 82 H LYS 12 H LYS 12 0.040 -7.663 2.611 83 HA LYS 12 HA LYS 12 2.482 -8.703 3.871 84 HB2 LYS 12 1HB LYS 12 1.073 -6.144 3.955 85 HB3 LYS 12 2HB LYS 12 1.477 -6.753 5.555 86 HG2 LYS 12 1HG LYS 12 3.227 -5.302 4.737 87 HG3 LYS 12 2HG LYS 12 3.823 -6.958 4.876 88 HD2 LYS 12 1HD LYS 12 4.591 -5.943 2.802 89 HD3 LYS 12 2HD LYS 12 3.480 -7.273 2.465 90 HE2 LYS 12 1HE LYS 12 1.676 -5.711 2.070 91 HE3 LYS 12 2HE LYS 12 2.709 -4.357 2.526 92 HZ1 LYS 12 3HZ LYS 12 2.353 -5.344 0.002 93 HZ2 LYS 12 1HZ LYS 12 3.872 -5.938 0.454 94 HZ3 LYS 12 2HZ LYS 12 3.568 -4.275 0.494 95 H TYR 13 H TYR 13 2.320 -9.070 6.266 96 HA TYR 13 HA TYR 13 -0.272 -10.303 6.937 97 HB2 TYR 13 1HB TYR 13 2.533 -11.271 7.449 98 HB3 TYR 13 2HB TYR 13 1.166 -11.864 8.385 99 HD1 TYR 13 HD1 TYR 13 1.969 -11.274 4.775 100 HD2 TYR 13 HD2 TYR 13 0.310 -13.883 7.697 101 HE1 TYR 13 HE1 TYR 13 1.492 -12.928 3.018 102 HE2 TYR 13 HE2 TYR 13 -0.170 -15.545 5.949 103 HH TYR 13 HH TYR 13 -0.278 -15.899 3.725 104 H VAL 14 H VAL 14 -1.153 -9.849 8.883 105 HA VAL 14 HA VAL 14 0.462 -8.430 10.876 106 HB VAL 14 HB VAL 14 -0.924 -6.852 9.353 107 HG11 VAL 14 1HG1 VAL 14 -2.972 -8.474 9.920 108 HG12 VAL 14 2HG1 VAL 14 -3.169 -7.303 11.227 109 HG13 VAL 14 3HG1 VAL 14 -3.181 -6.763 9.547 110 HG21 VAL 14 3HG2 VAL 14 -0.668 -6.852 12.313 111 HG22 VAL 14 1HG2 VAL 14 0.027 -5.760 11.116 112 HG23 VAL 14 2HG2 VAL 14 -1.670 -5.607 11.570 113 H GLY 15 H GLY 15 -0.272 -8.624 13.014 114 HA2 GLY 15 1HA GLY 15 -2.530 -9.456 14.141 115 HA3 GLY 15 2HA GLY 15 -1.952 -10.966 13.452 116 H LEU 16 H LEU 16 -0.006 -8.380 14.872 117 HA LEU 16 HA LEU 16 0.884 -10.305 16.917 118 HB2 LEU 16 1HB LEU 16 2.423 -9.116 15.060 119 HB3 LEU 16 2HB LEU 16 2.521 -7.913 16.344 120 HG LEU 16 HG LEU 16 3.394 -9.624 17.870 121 HD11 LEU 16 1HD1 LEU 16 3.113 -11.779 17.449 122 HD12 LEU 16 2HD1 LEU 16 4.157 -11.638 16.034 123 HD13 LEU 16 3HD1 LEU 16 2.417 -11.396 15.874 124 HD21 LEU 16 3HD2 LEU 16 5.497 -9.264 17.175 125 HD22 LEU 16 1HD2 LEU 16 4.734 -8.313 15.900 126 HD23 LEU 16 2HD2 LEU 16 5.204 -9.985 15.591 127 H TRP 17 H TRP 17 -1.159 -9.462 17.990 128 HA TRP 17 HA TRP 17 -1.620 -6.947 18.914 129 HB2 TRP 17 1HB TRP 17 -2.132 -9.657 20.011 130 HB3 TRP 17 2HB TRP 17 -2.303 -8.308 21.130 131 HD1 TRP 17 HD1 TRP 17 -3.338 -8.275 17.407 132 HE1 TRP 17 HE1 TRP 17 -5.867 -7.808 17.285 133 HE3 TRP 17 HE3 TRP 17 -4.416 -8.328 22.404 134 HZ2 TRP 17 HZ2 TRP 17 -8.031 -7.502 19.070 135 HZ3 TRP 17 HZ3 TRP 17 -6.740 -7.939 23.114 136 HH2 TRP 17 HH2 TRP 17 -8.508 -7.534 21.480 137 H ASP 18 H ASP 18 -1.207 -5.919 21.000 138 HA ASP 18 HA ASP 18 1.442 -5.467 21.534 139 HB2 ASP 18 1HB ASP 18 0.560 -4.759 23.881 140 HB3 ASP 18 2HB ASP 18 -0.005 -3.894 22.454 141 H PHE 19 H PHE 19 2.833 -7.115 21.852 142 HA PHE 19 HA PHE 19 2.613 -8.578 24.353 143 HB2 PHE 19 1HB PHE 19 1.517 -9.931 22.461 144 HB3 PHE 19 2HB PHE 19 3.147 -10.131 21.829 145 HD1 PHE 19 HD2 PHE 19 4.906 -11.029 23.552 146 HD2 PHE 19 HD1 PHE 19 0.692 -11.489 23.935 147 HE1 PHE 19 HE2 PHE 19 5.255 -12.942 25.059 148 HE2 PHE 19 HE1 PHE 19 1.034 -13.402 25.443 149 HZ PHE 19 HZ PHE 19 3.318 -14.132 26.006 150 H LYS 20 H LYS 20 4.504 -8.393 25.334 151 HA LYS 20 HA LYS 20 6.945 -8.289 23.685 152 HB2 LYS 20 1HB LYS 20 6.249 -6.767 26.194 153 HB3 LYS 20 2HB LYS 20 7.898 -6.911 25.601 154 HG2 LYS 20 1HG LYS 20 7.327 -4.930 24.651 155 HG3 LYS 20 2HG LYS 20 6.797 -6.023 23.370 156 HD2 LYS 20 1HD LYS 20 4.520 -5.998 24.494 157 HD3 LYS 20 2HD LYS 20 5.123 -4.647 25.458 158 HE2 LYS 20 1HE LYS 20 5.386 -4.548 22.489 159 HE3 LYS 20 2HE LYS 20 3.814 -4.232 23.220 160 HZ1 LYS 20 3HZ LYS 20 5.511 -2.725 24.704 161 HZ2 LYS 20 1HZ LYS 20 4.548 -2.155 23.435 162 HZ3 LYS 20 2HZ LYS 20 6.159 -2.581 23.148 163 H SER 21 H SER 21 7.865 -10.235 23.882 164 HA SER 21 HA SER 21 7.841 -11.583 26.480 165 HB2 SER 21 1HB SER 21 7.399 -12.579 23.986 166 HB3 SER 21 2HB SER 21 9.115 -12.933 24.183 167 HG SER 21 HG SER 21 7.003 -13.705 25.914 168 H ARG 22 H ARG 22 10.079 -13.115 26.374 169 HA ARG 22 HA ARG 22 12.323 -11.236 26.128 170 HB2 ARG 22 1HB ARG 22 13.183 -11.791 28.277 171 HB3 ARG 22 2HB ARG 22 11.488 -11.378 28.502 172 HG2 ARG 22 1HG ARG 22 11.595 -14.155 28.040 173 HG3 ARG 22 2HG ARG 22 12.865 -13.772 29.204 174 HD2 ARG 22 1HD ARG 22 10.095 -12.675 29.524 175 HD3 ARG 22 2HD ARG 22 10.493 -14.301 30.075 176 HE ARG 22 HE ARG 22 12.424 -12.692 31.162 177 HH11 ARG 22 1HH1 ARG 22 8.946 -12.816 31.251 178 HH12 ARG 22 2HH1 ARG 22 8.832 -12.138 32.841 179 HH21 ARG 22 1HH2 ARG 22 12.287 -11.799 33.257 180 HH22 ARG 22 2HH2 ARG 22 10.733 -11.559 33.981 181 H THR 23 H THR 23 11.351 -13.537 24.533 182 HA THR 23 HA THR 23 13.891 -14.965 24.416 183 HB THR 23 HB THR 23 12.198 -17.054 23.957 184 HG1 THR 23 HG1 THR 23 10.407 -15.843 24.760 185 HG21 THR 23 3HG2 THR 23 12.923 -17.905 26.128 186 HG22 THR 23 1HG2 THR 23 13.396 -16.279 26.620 187 HG23 THR 23 2HG2 THR 23 14.252 -17.087 25.306 188 H ASP 24 H ASP 24 14.276 -16.007 22.397 189 HA ASP 24 HA ASP 24 13.373 -14.591 20.159 190 HB2 ASP 24 1HB ASP 24 14.832 -17.201 20.486 191 HB3 ASP 24 2HB ASP 24 14.375 -16.611 18.891 192 H GLU 25 H GLU 25 12.130 -17.430 21.737 193 HA GLU 25 HA GLU 25 10.588 -18.530 19.692 194 HB2 GLU 25 1HB GLU 25 9.432 -19.721 21.361 195 HB3 GLU 25 2HB GLU 25 11.038 -19.462 22.027 196 HG2 GLU 25 1HG GLU 25 10.142 -17.518 23.283 197 HG3 GLU 25 2HG GLU 25 8.532 -17.943 22.704 198 H GLU 26 H GLU 26 10.160 -15.626 21.499 199 HA GLU 26 HA GLU 26 7.570 -15.207 20.164 200 HB2 GLU 26 1HB GLU 26 8.341 -14.692 23.014 201 HB3 GLU 26 2HB GLU 26 7.116 -13.693 22.245 202 HG2 GLU 26 1HG GLU 26 6.128 -16.062 21.595 203 HG3 GLU 26 2HG GLU 26 7.021 -16.545 23.036 204 H LEU 27 H LEU 27 7.040 -12.968 19.733 205 HA LEU 27 HA LEU 27 9.453 -11.383 19.211 206 HB2 LEU 27 1HB LEU 27 6.734 -11.490 17.966 207 HB3 LEU 27 2HB LEU 27 7.757 -10.071 17.757 208 HG LEU 27 HG LEU 27 9.426 -12.150 17.059 209 HD11 LEU 27 1HD1 LEU 27 6.600 -12.834 16.405 210 HD12 LEU 27 2HD1 LEU 27 7.931 -13.883 16.888 211 HD13 LEU 27 3HD1 LEU 27 7.875 -13.228 15.252 212 HD21 LEU 27 3HD2 LEU 27 7.668 -10.622 15.151 213 HD22 LEU 27 1HD2 LEU 27 9.291 -11.251 14.866 214 HD23 LEU 27 2HD2 LEU 27 9.050 -9.908 15.984 215 H SER 28 H SER 28 9.531 -9.164 19.700 216 HA SER 28 HA SER 28 7.660 -8.348 21.823 217 HB2 SER 28 1HB SER 28 9.509 -6.842 22.588 218 HB3 SER 28 2HB SER 28 9.909 -8.557 22.680 219 HG SER 28 HG SER 28 11.545 -8.103 21.460 220 H PHE 29 H PHE 29 6.168 -7.520 20.267 221 HA PHE 29 HA PHE 29 6.672 -4.768 19.612 222 HB2 PHE 29 1HB PHE 29 7.360 -6.601 17.657 223 HB3 PHE 29 2HB PHE 29 5.736 -6.106 17.190 224 HD1 PHE 29 HD2 PHE 29 9.057 -4.734 18.134 225 HD2 PHE 29 HD1 PHE 29 5.410 -4.131 16.025 226 HE1 PHE 29 HE2 PHE 29 9.975 -2.677 17.143 227 HE2 PHE 29 HE1 PHE 29 6.322 -2.073 15.030 228 HZ PHE 29 HZ PHE 29 8.607 -1.344 15.589 229 H ARG 30 H ARG 30 4.727 -3.726 18.651 230 HA ARG 30 HA ARG 30 2.333 -4.889 19.848 231 HB2 ARG 30 1HB ARG 30 1.377 -2.710 19.749 232 HB3 ARG 30 2HB ARG 30 3.033 -2.513 20.306 233 HG2 ARG 30 1HG ARG 30 3.707 -1.869 18.037 234 HG3 ARG 30 2HG ARG 30 2.032 -2.032 17.507 235 HD2 ARG 30 1HD ARG 30 2.221 0.242 17.912 236 HD3 ARG 30 2HD ARG 30 1.515 -0.362 19.410 237 HE ARG 30 HE ARG 30 4.244 -0.403 19.789 238 HH11 ARG 30 1HH1 ARG 30 1.819 1.987 19.062 239 HH12 ARG 30 2HH1 ARG 30 2.667 3.277 19.849 240 HH21 ARG 30 1HH2 ARG 30 5.369 1.286 20.829 241 HH22 ARG 30 2HH2 ARG 30 4.687 2.877 20.854 242 H ALA 31 H ALA 31 0.240 -4.496 18.626 243 HA ALA 31 HA ALA 31 0.366 -5.861 16.142 244 HB1 ALA 31 1HB ALA 31 -2.159 -4.655 16.348 245 HB2 ALA 31 2HB ALA 31 -1.715 -6.310 16.768 246 HB3 ALA 31 3HB ALA 31 -1.664 -5.045 17.996 247 H GLY 32 H GLY 32 -0.864 -4.975 14.180 248 HA2 GLY 32 1HA GLY 32 -1.347 -3.196 12.711 249 HA3 GLY 32 2HA GLY 32 -0.490 -2.103 13.788 250 H ASP 33 H ASP 33 1.787 -4.069 13.909 251 HA ASP 33 HA ASP 33 3.272 -2.962 11.727 252 HB2 ASP 33 1HB ASP 33 4.163 -3.524 14.053 253 HB3 ASP 33 2HB ASP 33 4.178 -5.205 13.528 254 H VAL 34 H VAL 34 4.150 -4.007 9.949 255 HA VAL 34 HA VAL 34 2.666 -6.356 9.072 256 HB VAL 34 HB VAL 34 3.608 -5.927 6.866 257 HG11 VAL 34 1HG1 VAL 34 2.682 -3.614 6.522 258 HG12 VAL 34 2HG1 VAL 34 1.600 -4.745 7.336 259 HG13 VAL 34 3HG1 VAL 34 2.463 -3.522 8.270 260 HG21 VAL 34 3HG2 VAL 34 4.914 -3.668 6.700 261 HG22 VAL 34 1HG2 VAL 34 5.312 -4.005 8.384 262 HG23 VAL 34 2HG2 VAL 34 5.763 -5.155 7.125 263 H PHE 35 H PHE 35 3.725 -8.192 8.127 264 HA PHE 35 HA PHE 35 6.548 -8.558 8.762 265 HB2 PHE 35 1HB PHE 35 4.558 -10.641 9.641 266 HB3 PHE 35 2HB PHE 35 6.257 -10.497 10.081 267 HD1 PHE 35 HD1 PHE 35 6.954 -8.541 11.533 268 HD2 PHE 35 HD2 PHE 35 2.893 -9.683 10.962 269 HE1 PHE 35 HE1 PHE 35 6.324 -7.308 13.568 270 HE2 PHE 35 HE2 PHE 35 2.257 -8.452 12.995 271 HZ PHE 35 HZ PHE 35 3.973 -7.262 14.300 272 H HIS 36 H HIS 36 7.385 -10.638 7.855 273 HA HIS 36 HA HIS 36 5.843 -11.517 5.509 274 HB2 HIS 36 1HB HIS 36 7.574 -9.889 4.815 275 HB3 HIS 36 2HB HIS 36 8.809 -10.920 5.530 276 HD1 HIS 36 HD1 HIS 36 9.628 -12.882 4.161 277 HD2 HIS 36 HD2 HIS 36 6.359 -10.964 2.458 278 HE1 HIS 36 HE1 HIS 36 9.401 -13.860 1.855 279 H VAL 37 H VAL 37 5.778 -13.663 5.200 280 HA VAL 37 HA VAL 37 6.917 -15.390 7.185 281 HB VAL 37 HB VAL 37 5.872 -17.221 5.863 282 HG11 VAL 37 1HG1 VAL 37 3.596 -16.625 6.371 283 HG12 VAL 37 2HG1 VAL 37 4.652 -15.975 7.627 284 HG13 VAL 37 3HG1 VAL 37 4.005 -14.910 6.378 285 HG21 VAL 37 3HG2 VAL 37 5.872 -15.217 3.831 286 HG22 VAL 37 1HG2 VAL 37 5.428 -16.920 3.709 287 HG23 VAL 37 2HG2 VAL 37 4.210 -15.720 4.142 288 H ALA 38 H ALA 38 8.660 -16.691 7.053 289 HA ALA 38 HA ALA 38 10.188 -16.644 4.532 290 HB1 ALA 38 1HB ALA 38 12.128 -16.318 5.651 291 HB2 ALA 38 2HB ALA 38 11.043 -15.586 6.833 292 HB3 ALA 38 3HB ALA 38 11.602 -17.243 7.058 293 H ARG 39 H ARG 39 8.805 -18.595 7.034 294 HA ARG 39 HA ARG 39 9.261 -20.981 5.480 295 HB2 ARG 39 1HB ARG 39 11.317 -20.629 6.978 296 HB3 ARG 39 2HB ARG 39 10.249 -21.007 8.323 297 HG2 ARG 39 1HG ARG 39 11.318 -23.021 7.798 298 HG3 ARG 39 2HG ARG 39 9.706 -23.159 7.093 299 HD2 ARG 39 1HD ARG 39 10.666 -22.428 4.917 300 HD3 ARG 39 2HD ARG 39 12.266 -22.475 5.656 301 HE ARG 39 HE ARG 39 11.308 -24.955 6.126 302 HH11 ARG 39 1HH1 ARG 39 11.558 -23.007 3.252 303 HH12 ARG 39 2HH1 ARG 39 11.738 -24.364 2.190 304 HH21 ARG 39 1HH2 ARG 39 11.543 -26.750 4.739 305 HH22 ARG 39 2HH2 ARG 39 11.728 -26.493 3.037 306 H LYS 40 H LYS 40 7.479 -22.174 5.576 307 HA LYS 40 HA LYS 40 5.645 -21.764 7.840 308 HB2 LYS 40 1HB LYS 40 3.932 -22.751 6.233 309 HB3 LYS 40 2HB LYS 40 4.539 -21.146 5.849 310 HG2 LYS 40 1HG LYS 40 5.632 -21.849 3.988 311 HG3 LYS 40 2HG LYS 40 5.945 -23.458 4.643 312 HD2 LYS 40 1HD LYS 40 3.384 -23.776 4.441 313 HD3 LYS 40 2HD LYS 40 3.460 -22.392 3.349 314 HE2 LYS 40 1HE LYS 40 5.294 -24.729 2.977 315 HE3 LYS 40 2HE LYS 40 3.636 -24.792 2.381 316 HZ1 LYS 40 3HZ LYS 40 5.815 -23.665 1.122 317 HZ2 LYS 40 1HZ LYS 40 4.875 -22.355 1.634 318 HZ3 LYS 40 2HZ LYS 40 4.194 -23.550 0.650 319 H GLU 41 H GLU 41 5.615 -23.339 9.291 320 HA GLU 41 HA GLU 41 6.295 -26.069 8.430 321 HB2 GLU 41 1HB GLU 41 7.541 -24.701 10.339 322 HB3 GLU 41 2HB GLU 41 6.213 -25.318 11.312 323 HG2 GLU 41 1HG GLU 41 6.859 -27.529 11.020 324 HG3 GLU 41 2HG GLU 41 7.845 -27.154 9.608 325 H GLU 42 H GLU 42 5.209 -27.811 9.771 326 HA GLU 42 HA GLU 42 2.383 -27.512 9.513 327 HB2 GLU 42 1HB GLU 42 2.235 -29.809 10.126 328 HB3 GLU 42 2HB GLU 42 3.667 -29.640 9.120 329 HG2 GLU 42 1HG GLU 42 5.090 -29.691 11.070 330 HG3 GLU 42 2HG GLU 42 3.681 -29.744 12.128 331 H GLN 43 H GLN 43 4.648 -27.181 12.109 332 HA GLN 43 HA GLN 43 2.537 -27.215 14.126 333 HB2 GLN 43 1HB GLN 43 5.536 -26.934 14.376 334 HB3 GLN 43 2HB GLN 43 4.420 -26.943 15.735 335 HG2 GLN 43 1HG GLN 43 3.656 -29.221 14.739 336 HG3 GLN 43 2HG GLN 43 5.220 -29.173 13.928 337 HE21 GLN 43 2HE2 GLN 43 6.865 -28.109 15.755 338 HE22 GLN 43 1HE2 GLN 43 6.955 -29.108 17.161 339 H TRP 44 H TRP 44 5.355 -25.080 13.757 340 HA TRP 44 HA TRP 44 3.549 -22.789 14.181 341 HB2 TRP 44 1HB TRP 44 6.262 -23.413 15.267 342 HB3 TRP 44 2HB TRP 44 5.831 -21.727 14.992 343 HD1 TRP 44 HD1 TRP 44 3.135 -24.142 16.180 344 HE1 TRP 44 HE1 TRP 44 2.474 -23.531 18.591 345 HE3 TRP 44 HE3 TRP 44 6.761 -20.674 17.162 346 HZ2 TRP 44 HZ2 TRP 44 3.371 -21.807 20.639 347 HZ3 TRP 44 HZ3 TRP 44 6.789 -19.591 19.371 348 HH2 TRP 44 HH2 TRP 44 5.128 -20.146 21.072 349 H TRP 45 H TRP 45 4.169 -20.775 13.164 350 HA TRP 45 HA TRP 45 5.567 -21.238 10.618 351 HB2 TRP 45 1HB TRP 45 3.343 -19.377 11.412 352 HB3 TRP 45 2HB TRP 45 4.321 -19.055 9.983 353 HD1 TRP 45 HD1 TRP 45 3.436 -22.662 10.829 354 HE1 TRP 45 HE1 TRP 45 1.802 -23.557 9.052 355 HE3 TRP 45 HE3 TRP 45 2.474 -18.301 8.341 356 HZ2 TRP 45 HZ2 TRP 45 0.305 -22.547 6.883 357 HZ3 TRP 45 HZ3 TRP 45 0.930 -18.351 6.426 358 HH2 TRP 45 HH2 TRP 45 -0.131 -20.432 5.713 359 H TRP 46 H TRP 46 7.143 -19.822 9.902 360 HA TRP 46 HA TRP 46 8.490 -18.334 11.992 361 HB2 TRP 46 1HB TRP 46 9.201 -19.119 9.177 362 HB3 TRP 46 2HB TRP 46 10.164 -17.935 10.058 363 HD1 TRP 46 HD1 TRP 46 8.683 -21.051 11.749 364 HE1 TRP 46 HE1 TRP 46 10.623 -22.542 12.546 365 HE3 TRP 46 HE3 TRP 46 12.584 -18.492 9.659 366 HZ2 TRP 46 HZ2 TRP 46 13.436 -22.623 12.319 367 HZ3 TRP 46 HZ3 TRP 46 14.868 -19.343 9.996 368 HH2 TRP 46 HH2 TRP 46 15.283 -21.365 11.300 369 H ALA 47 H ALA 47 8.513 -16.182 12.227 370 HA ALA 47 HA ALA 47 7.560 -14.500 10.018 371 HB1 ALA 47 1HB ALA 47 5.596 -14.447 11.164 372 HB2 ALA 47 2HB ALA 47 6.365 -14.759 12.721 373 HB3 ALA 47 3HB ALA 47 6.441 -13.149 12.007 374 H THR 48 H THR 48 8.840 -12.806 9.663 375 HA THR 48 HA THR 48 10.753 -12.046 11.771 376 HB THR 48 HB THR 48 11.159 -11.411 8.863 377 HG1 THR 48 HG1 THR 48 11.737 -13.844 10.219 378 HG21 THR 48 3HG2 THR 48 13.277 -10.864 9.463 379 HG22 THR 48 1HG2 THR 48 13.372 -12.127 10.689 380 HG23 THR 48 2HG2 THR 48 12.527 -10.619 11.040 381 H LEU 49 H LEU 49 10.891 -9.961 12.417 382 HA LEU 49 HA LEU 49 8.893 -8.114 11.338 383 HB2 LEU 49 1HB LEU 49 8.654 -8.258 13.645 384 HB3 LEU 49 2HB LEU 49 10.395 -8.298 13.918 385 HG LEU 49 HG LEU 49 10.509 -5.903 13.314 386 HD11 LEU 49 1HD1 LEU 49 7.887 -5.050 13.635 387 HD12 LEU 49 2HD1 LEU 49 7.778 -6.409 12.517 388 HD13 LEU 49 3HD1 LEU 49 8.828 -5.043 12.143 389 HD21 LEU 49 3HD2 LEU 49 9.875 -5.148 15.405 390 HD22 LEU 49 1HD2 LEU 49 10.056 -6.882 15.676 391 HD23 LEU 49 2HD2 LEU 49 8.449 -6.186 15.464 392 H LEU 50 H LEU 50 9.491 -6.588 9.961 393 HA LEU 50 HA LEU 50 12.314 -5.755 9.917 394 HB2 LEU 50 1HB LEU 50 10.555 -5.087 7.643 395 HB3 LEU 50 2HB LEU 50 12.241 -5.602 7.660 396 HG LEU 50 HG LEU 50 9.845 -7.409 7.985 397 HD11 LEU 50 1HD1 LEU 50 10.245 -8.156 5.781 398 HD12 LEU 50 2HD1 LEU 50 11.764 -7.268 5.675 399 HD13 LEU 50 3HD1 LEU 50 10.233 -6.394 5.706 400 HD21 LEU 50 3HD2 LEU 50 12.704 -8.226 7.560 401 HD22 LEU 50 1HD2 LEU 50 11.335 -9.220 8.058 402 HD23 LEU 50 2HD2 LEU 50 12.013 -8.033 9.172 403 H ASP 51 H ASP 51 12.710 -3.487 9.275 404 HA ASP 51 HA ASP 51 11.111 -1.720 10.870 405 HB2 ASP 51 1HB ASP 51 13.712 -1.710 10.286 406 HB3 ASP 51 2HB ASP 51 13.160 -0.652 8.990 407 H GLU 52 H GLU 52 10.775 0.590 9.749 408 HA GLU 52 HA GLU 52 8.597 0.293 8.016 409 HB2 GLU 52 1HB GLU 52 8.685 2.731 7.763 410 HB3 GLU 52 2HB GLU 52 8.879 2.253 9.443 411 HG2 GLU 52 1HG GLU 52 11.426 2.400 8.885 412 HG3 GLU 52 2HG GLU 52 10.869 3.425 7.564 413 H ALA 53 H ALA 53 12.000 0.676 7.394 414 HA ALA 53 HA ALA 53 11.659 1.299 4.598 415 HB1 ALA 53 1HB ALA 53 14.033 1.332 4.467 416 HB2 ALA 53 2HB ALA 53 13.587 2.095 5.993 417 HB3 ALA 53 3HB ALA 53 14.192 0.438 5.979 418 H GLY 54 H GLY 54 11.755 -1.531 6.513 419 HA2 GLY 54 1HA GLY 54 10.999 -3.592 5.462 420 HA3 GLY 54 2HA GLY 54 11.962 -3.156 4.057 421 H GLY 55 H GLY 55 13.975 -2.251 6.330 422 HA2 GLY 55 1HA GLY 55 15.653 -4.525 6.079 423 HA3 GLY 55 2HA GLY 55 15.938 -3.143 7.127 424 H ALA 56 H ALA 56 15.627 -6.366 7.168 425 HA ALA 56 HA ALA 56 13.845 -7.054 9.155 426 HB1 ALA 56 1HB ALA 56 14.910 -8.819 8.053 427 HB2 ALA 56 2HB ALA 56 16.519 -8.188 8.406 428 HB3 ALA 56 3HB ALA 56 15.545 -8.888 9.698 429 H VAL 57 H VAL 57 14.076 -7.423 11.417 430 HA VAL 57 HA VAL 57 16.217 -5.890 12.727 431 HB VAL 57 HB VAL 57 13.343 -5.817 13.642 432 HG11 VAL 57 1HG1 VAL 57 15.389 -5.439 15.209 433 HG12 VAL 57 2HG1 VAL 57 15.474 -3.869 14.407 434 HG13 VAL 57 3HG1 VAL 57 14.014 -4.337 15.279 435 HG21 VAL 57 3HG2 VAL 57 14.872 -3.723 12.098 436 HG22 VAL 57 1HG2 VAL 57 13.546 -4.704 11.474 437 HG23 VAL 57 2HG2 VAL 57 13.250 -3.539 12.764 438 H ALA 58 H ALA 58 13.365 -7.762 13.765 439 HA ALA 58 HA ALA 58 15.184 -9.476 15.331 440 HB1 ALA 58 1HB ALA 58 13.861 -9.359 17.169 441 HB2 ALA 58 2HB ALA 58 13.454 -7.793 16.465 442 HB3 ALA 58 3HB ALA 58 12.380 -9.172 16.229 443 H GLN 59 H GLN 59 14.202 -11.636 15.865 444 HA GLN 59 HA GLN 59 12.424 -12.597 13.733 445 HB2 GLN 59 1HB GLN 59 14.880 -14.080 14.674 446 HB3 GLN 59 2HB GLN 59 13.790 -14.553 13.378 447 HG2 GLN 59 1HG GLN 59 14.487 -12.265 12.342 448 HG3 GLN 59 2HG GLN 59 15.873 -12.425 13.420 449 HE21 GLN 59 2HE2 GLN 59 17.019 -12.438 11.335 450 HE22 GLN 59 1HE2 GLN 59 17.223 -13.948 10.522 451 H GLY 60 H GLY 60 10.793 -13.823 14.444 452 HA2 GLY 60 1HA GLY 60 11.078 -15.431 16.845 453 HA3 GLY 60 2HA GLY 60 9.940 -14.097 16.970 454 H TYR 61 H TYR 61 8.992 -16.585 17.370 455 HA TYR 61 HA TYR 61 7.471 -17.118 14.904 456 HB2 TYR 61 1HB TYR 61 8.158 -19.222 16.953 457 HB3 TYR 61 2HB TYR 61 7.487 -19.458 15.344 458 HD1 TYR 61 HD2 TYR 61 9.264 -17.725 13.731 459 HD2 TYR 61 HD1 TYR 61 10.171 -20.403 16.911 460 HE1 TYR 61 HE2 TYR 61 11.532 -18.022 12.826 461 HE2 TYR 61 HE1 TYR 61 12.442 -20.707 16.015 462 HH TYR 61 HH TYR 61 13.785 -20.341 14.240 463 H VAL 62 H VAL 62 5.294 -17.752 15.163 464 HA VAL 62 HA VAL 62 4.119 -17.720 17.814 465 HB VAL 62 HB VAL 62 2.402 -15.989 17.047 466 HG11 VAL 62 1HG1 VAL 62 3.742 -14.139 17.854 467 HG12 VAL 62 2HG1 VAL 62 4.102 -15.594 18.786 468 HG13 VAL 62 3HG1 VAL 62 5.223 -15.043 17.540 469 HG21 VAL 62 3HG2 VAL 62 4.444 -14.712 15.365 470 HG22 VAL 62 1HG2 VAL 62 3.689 -16.144 14.666 471 HG23 VAL 62 2HG2 VAL 62 2.693 -14.780 15.172 472 HA PRO 63 HA PRO 63 1.249 -20.496 15.990 473 HB2 PRO 63 1HB PRO 63 -0.977 -20.016 17.468 474 HB3 PRO 63 2HB PRO 63 0.436 -20.865 18.107 475 HG2 PRO 63 1HG PRO 63 -0.364 -17.999 18.440 476 HG3 PRO 63 2HG PRO 63 0.273 -19.131 19.648 477 HD2 PRO 63 1HD PRO 63 1.820 -17.263 18.443 478 HD3 PRO 63 2HD PRO 63 2.452 -18.842 18.954 479 H HIS 64 H HIS 64 -0.453 -20.638 14.527 480 HA HIS 64 HA HIS 64 -0.965 -18.403 12.920 481 HB2 HIS 64 1HB HIS 64 -2.632 -19.816 11.794 482 HB3 HIS 64 2HB HIS 64 -1.133 -20.697 12.080 483 HD1 HIS 64 HD1 HIS 64 -1.250 -22.760 13.549 484 HD2 HIS 64 HD2 HIS 64 -4.820 -20.639 13.429 485 HE1 HIS 64 HE1 HIS 64 -2.950 -24.243 14.658 486 H ASN 65 H ASN 65 -2.430 -19.448 15.834 487 HA ASN 65 HA ASN 65 -4.977 -18.212 15.453 488 HB2 ASN 65 1HB ASN 65 -4.421 -20.078 17.098 489 HB3 ASN 65 2HB ASN 65 -3.683 -18.838 18.107 490 HD21 ASN 65 2HD2 ASN 65 -6.649 -18.958 16.164 491 HD22 ASN 65 1HD2 ASN 65 -7.712 -18.516 17.452 492 H TYR 66 H TYR 66 -1.858 -17.075 16.287 493 HA TYR 66 HA TYR 66 -2.864 -14.648 17.547 494 HB2 TYR 66 1HB TYR 66 -0.478 -16.131 17.752 495 HB3 TYR 66 2HB TYR 66 -0.031 -14.596 17.015 496 HD1 TYR 66 HD2 TYR 66 -1.959 -15.984 19.891 497 HD2 TYR 66 HD1 TYR 66 0.348 -12.748 18.369 498 HE1 TYR 66 HE2 TYR 66 -2.011 -14.913 22.105 499 HE2 TYR 66 HE1 TYR 66 0.303 -11.670 20.579 500 HH TYR 66 HH TYR 66 -1.675 -12.898 23.184 501 H LEU 67 H LEU 67 -0.739 -15.460 14.798 502 HA LEU 67 HA LEU 67 -1.209 -12.816 13.661 503 HB2 LEU 67 1HB LEU 67 1.038 -14.241 13.797 504 HB3 LEU 67 2HB LEU 67 0.435 -14.845 12.255 505 HG LEU 67 HG LEU 67 0.263 -12.357 11.596 506 HD11 LEU 67 1HD1 LEU 67 0.858 -10.854 13.110 507 HD12 LEU 67 2HD1 LEU 67 2.491 -11.520 13.107 508 HD13 LEU 67 3HD1 LEU 67 1.292 -12.129 14.248 509 HD21 LEU 67 3HD2 LEU 67 1.824 -13.590 10.421 510 HD22 LEU 67 1HD2 LEU 67 2.751 -13.993 11.867 511 HD23 LEU 67 2HD2 LEU 67 2.831 -12.364 11.193 512 H ALA 68 H ALA 68 -1.880 -12.546 11.456 513 HA ALA 68 HA ALA 68 -3.138 -14.812 10.139 514 HB1 ALA 68 1HB ALA 68 -4.636 -12.772 11.593 515 HB2 ALA 68 2HB ALA 68 -5.161 -12.979 9.922 516 HB3 ALA 68 3HB ALA 68 -5.144 -14.360 11.018 517 H GLU 69 H GLU 69 -3.481 -14.505 7.932 518 HA GLU 69 HA GLU 69 -1.782 -12.583 6.692 519 HB2 GLU 69 1HB GLU 69 -2.368 -13.609 4.632 520 HB3 GLU 69 2HB GLU 69 -2.290 -14.900 5.823 521 HG2 GLU 69 1HG GLU 69 -4.874 -14.372 6.024 522 HG3 GLU 69 2HG GLU 69 -4.625 -13.783 4.381 523 H ARG 70 H ARG 70 -2.452 -11.031 5.057 524 HA ARG 70 HA ARG 70 -5.176 -9.996 5.433 525 HB2 ARG 70 1HB ARG 70 -2.641 -8.348 5.465 526 HB3 ARG 70 2HB ARG 70 -4.273 -7.692 5.460 527 HG2 ARG 70 1HG ARG 70 -3.214 -9.504 7.614 528 HG3 ARG 70 2HG ARG 70 -3.156 -7.742 7.692 529 HD2 ARG 70 1HD ARG 70 -5.756 -9.081 7.118 530 HD3 ARG 70 2HD ARG 70 -5.142 -9.085 8.771 531 HE ARG 70 HE ARG 70 -5.020 -6.471 7.753 532 HH11 ARG 70 1HH1 ARG 70 -7.351 -8.854 8.756 533 HH12 ARG 70 2HH1 ARG 70 -8.536 -7.684 9.233 534 HH21 ARG 70 1HH2 ARG 70 -6.572 -4.921 8.377 535 HH22 ARG 70 2HH2 ARG 70 -8.093 -5.447 9.016 536 H GLU 71 H GLU 71 -4.770 -11.500 3.317 537 HA GLU 71 HA GLU 71 -3.738 -10.059 1.058 538 HB2 GLU 71 1HB GLU 71 -4.655 -11.960 -0.255 539 HB3 GLU 71 2HB GLU 71 -3.591 -12.463 1.050 540 HG2 GLU 71 1HG GLU 71 -5.439 -13.145 2.393 541 HG3 GLU 71 2HG GLU 71 -6.590 -12.443 1.258 542 H THR 72 H THR 72 -5.127 -9.759 -0.921 543 HA THR 72 HA THR 72 -7.834 -8.857 -0.189 544 HB THR 72 HB THR 72 -6.582 -6.843 -0.353 545 HG1 THR 72 HG1 THR 72 -8.231 -6.167 -1.490 546 HG21 THR 72 3HG2 THR 72 -4.596 -7.700 -1.467 547 HG22 THR 72 1HG2 THR 72 -5.209 -6.287 -2.325 548 HG23 THR 72 2HG2 THR 72 -5.501 -7.903 -2.967 Start of MODEL 9 1 H1 MET 1 H MET 1 1.268 11.526 -0.053 2 HA MET 1 HA MET 1 -0.682 12.185 2.051 3 HB2 MET 1 1HB MET 1 -0.505 13.181 -0.755 4 HB3 MET 1 2HB MET 1 -2.101 12.908 -0.070 5 HG2 MET 1 1HG MET 1 -1.809 14.533 1.571 6 HG3 MET 1 2HG MET 1 -0.058 14.546 1.376 7 HE1 MET 1 3HE MET 1 0.785 16.986 0.514 8 HE2 MET 1 1HE MET 1 1.216 15.547 -0.412 9 HE3 MET 1 2HE MET 1 0.702 17.013 -1.248 10 H VAL 2 H VAL 2 -0.378 10.673 -1.166 11 HA VAL 2 HA VAL 2 -2.666 9.104 -1.078 12 HB VAL 2 HB VAL 2 -0.035 8.415 -2.396 13 HG11 VAL 2 1HG1 VAL 2 -2.719 7.170 -2.434 14 HG12 VAL 2 2HG1 VAL 2 -1.876 7.300 -3.979 15 HG13 VAL 2 3HG1 VAL 2 -1.126 6.441 -2.634 16 HG21 VAL 2 3HG2 VAL 2 -2.419 9.984 -3.360 17 HG22 VAL 2 1HG2 VAL 2 -0.758 10.547 -3.180 18 HG23 VAL 2 2HG2 VAL 2 -1.158 9.366 -4.427 19 H SER 3 H SER 3 0.400 8.668 0.498 20 HA SER 3 HA SER 3 -0.657 6.562 2.131 21 HB2 SER 3 1HB SER 3 1.144 4.916 1.534 22 HB3 SER 3 2HB SER 3 -0.048 5.171 0.260 23 HG SER 3 HG SER 3 1.649 6.890 -0.379 24 H ARG 4 H ARG 4 0.081 6.992 4.093 25 HA ARG 4 HA ARG 4 2.129 8.838 4.627 26 HB2 ARG 4 1HB ARG 4 1.862 8.230 6.950 27 HB3 ARG 4 2HB ARG 4 0.278 8.291 6.187 28 HG2 ARG 4 1HG ARG 4 0.317 5.837 5.974 29 HG3 ARG 4 2HG ARG 4 1.865 5.813 6.821 30 HD2 ARG 4 1HD ARG 4 0.147 5.326 8.409 31 HD3 ARG 4 2HD ARG 4 0.749 6.949 8.740 32 HE ARG 4 HE ARG 4 -1.545 6.928 7.021 33 HH11 ARG 4 1HH1 ARG 4 -0.471 6.841 10.332 34 HH12 ARG 4 2HH1 ARG 4 -1.946 7.494 10.964 35 HH21 ARG 4 1HH2 ARG 4 -3.492 7.787 7.842 36 HH22 ARG 4 2HH2 ARG 4 -3.664 8.031 9.547 37 H ASP 5 H ASP 5 2.131 5.342 4.353 38 HA ASP 5 HA ASP 5 5.056 5.389 4.386 39 HB2 ASP 5 1HB ASP 5 3.968 4.684 6.659 40 HB3 ASP 5 2HB ASP 5 3.644 3.168 5.822 41 H GLN 6 H GLN 6 6.021 3.472 3.415 42 HA GLN 6 HA GLN 6 4.188 2.116 1.550 43 HB2 GLN 6 1HB GLN 6 5.871 3.897 0.646 44 HB3 GLN 6 2HB GLN 6 7.063 2.624 0.871 45 HG2 GLN 6 1HG GLN 6 6.392 2.478 -1.368 46 HG3 GLN 6 2HG GLN 6 5.571 1.156 -0.541 47 HE21 GLN 6 2HE2 GLN 6 5.109 4.506 -1.576 48 HE22 GLN 6 1HE2 GLN 6 3.425 4.350 -1.931 49 H ALA 7 H ALA 7 4.745 1.031 4.028 50 HA ALA 7 HA ALA 7 6.916 -0.856 3.808 51 HB1 ALA 7 1HB ALA 7 5.956 0.237 5.952 52 HB2 ALA 7 2HB ALA 7 4.749 -1.047 5.861 53 HB3 ALA 7 3HB ALA 7 6.460 -1.453 5.998 54 H HIS 8 H HIS 8 3.537 -0.776 3.075 55 HA HIS 8 HA HIS 8 3.174 -3.625 3.026 56 HB2 HIS 8 1HB HIS 8 1.407 -1.687 3.304 57 HB3 HIS 8 2HB HIS 8 1.369 -1.755 1.545 58 HD1 HIS 8 HD1 HIS 8 0.152 -3.471 4.560 59 HD2 HIS 8 HD2 HIS 8 0.454 -4.274 0.495 60 HE1 HIS 8 HE1 HIS 8 -1.352 -5.444 4.152 61 H LEU 9 H LEU 9 4.187 -4.828 1.561 62 HA LEU 9 HA LEU 9 4.115 -3.957 -1.244 63 HB2 LEU 9 1HB LEU 9 6.461 -4.940 0.335 64 HB3 LEU 9 2HB LEU 9 6.391 -5.170 -1.411 65 HG LEU 9 HG LEU 9 6.091 -2.643 -1.567 66 HD11 LEU 9 1HD1 LEU 9 6.555 -2.993 1.335 67 HD12 LEU 9 2HD1 LEU 9 5.616 -1.775 0.472 68 HD13 LEU 9 3HD1 LEU 9 7.374 -1.647 0.542 69 HD21 LEU 9 3HD2 LEU 9 8.748 -3.268 -0.384 70 HD22 LEU 9 1HD2 LEU 9 8.344 -2.384 -1.856 71 HD23 LEU 9 2HD2 LEU 9 8.241 -4.145 -1.828 72 H GLY 10 H GLY 10 2.398 -5.780 0.213 73 HA2 GLY 10 1HA GLY 10 1.740 -7.711 -1.449 74 HA3 GLY 10 2HA GLY 10 3.196 -8.419 -0.766 75 HA PRO 11 HA PRO 11 -0.420 -9.748 1.816 76 HB2 PRO 11 1HB PRO 11 0.307 -12.363 1.908 77 HB3 PRO 11 2HB PRO 11 -0.672 -11.683 0.602 78 HG2 PRO 11 1HG PRO 11 2.265 -12.260 0.665 79 HG3 PRO 11 2HG PRO 11 1.092 -12.564 -0.630 80 HD2 PRO 11 1HD PRO 11 2.775 -10.443 -0.657 81 HD3 PRO 11 2HD PRO 11 1.148 -10.380 -1.365 82 H LYS 12 H LYS 12 0.985 -8.360 3.285 83 HA LYS 12 HA LYS 12 3.004 -9.700 4.832 84 HB2 LYS 12 1HB LYS 12 1.816 -6.994 4.722 85 HB3 LYS 12 2HB LYS 12 2.422 -7.497 6.295 86 HG2 LYS 12 1HG LYS 12 4.214 -6.392 5.291 87 HG3 LYS 12 2HG LYS 12 4.579 -8.107 5.085 88 HD2 LYS 12 1HD LYS 12 3.235 -7.690 2.814 89 HD3 LYS 12 2HD LYS 12 3.854 -6.057 3.070 90 HE2 LYS 12 1HE LYS 12 5.609 -6.915 1.908 91 HE3 LYS 12 2HE LYS 12 6.100 -7.402 3.530 92 HZ1 LYS 12 3HZ LYS 12 4.506 -9.441 2.684 93 HZ2 LYS 12 1HZ LYS 12 6.198 -9.448 2.701 94 HZ3 LYS 12 2HZ LYS 12 5.368 -9.024 1.290 95 H TYR 13 H TYR 13 2.841 -9.734 7.260 96 HA TYR 13 HA TYR 13 0.151 -10.631 8.061 97 HB2 TYR 13 1HB TYR 13 2.877 -11.713 8.663 98 HB3 TYR 13 2HB TYR 13 1.582 -11.942 9.833 99 HD1 TYR 13 HD1 TYR 13 2.394 -12.476 6.235 100 HD2 TYR 13 HD2 TYR 13 0.117 -13.736 9.601 101 HE1 TYR 13 HE1 TYR 13 1.594 -14.420 4.959 102 HE2 TYR 13 HE2 TYR 13 -0.688 -15.684 8.335 103 HH TYR 13 HH TYR 13 0.555 -16.996 5.988 104 H VAL 14 H VAL 14 -0.752 -9.780 9.850 105 HA VAL 14 HA VAL 14 0.909 -8.177 11.658 106 HB VAL 14 HB VAL 14 -0.211 -6.712 9.905 107 HG11 VAL 14 1HG1 VAL 14 -2.465 -6.504 9.758 108 HG12 VAL 14 2HG1 VAL 14 -2.405 -8.176 10.320 109 HG13 VAL 14 3HG1 VAL 14 -2.722 -6.871 11.464 110 HG21 VAL 14 3HG2 VAL 14 -0.055 -6.404 12.781 111 HG22 VAL 14 1HG2 VAL 14 0.336 -5.256 11.501 112 HG23 VAL 14 2HG2 VAL 14 -1.323 -5.399 12.082 113 H GLY 15 H GLY 15 0.196 -8.092 13.775 114 HA2 GLY 15 1HA GLY 15 -2.301 -8.681 14.781 115 HA3 GLY 15 2HA GLY 15 -1.494 -10.234 14.614 116 H LEU 16 H LEU 16 -1.514 -10.557 16.862 117 HA LEU 16 HA LEU 16 -0.660 -10.513 18.968 118 HB2 LEU 16 1HB LEU 16 1.523 -9.636 17.222 119 HB3 LEU 16 2HB LEU 16 1.696 -9.134 18.903 120 HG LEU 16 HG LEU 16 1.837 -11.344 19.667 121 HD11 LEU 16 1HD1 LEU 16 1.551 -13.149 17.676 122 HD12 LEU 16 2HD1 LEU 16 0.350 -11.947 17.205 123 HD13 LEU 16 3HD1 LEU 16 0.268 -12.697 18.799 124 HD21 LEU 16 3HD2 LEU 16 3.713 -12.218 18.541 125 HD22 LEU 16 1HD2 LEU 16 3.792 -10.472 18.304 126 HD23 LEU 16 2HD2 LEU 16 3.219 -11.513 17.001 127 H TRP 17 H TRP 17 -2.358 -9.119 19.665 128 HA TRP 17 HA TRP 17 -2.236 -6.311 19.587 129 HB2 TRP 17 1HB TRP 17 -4.186 -7.979 20.221 130 HB3 TRP 17 2HB TRP 17 -3.595 -7.702 21.857 131 HD1 TRP 17 HD1 TRP 17 -3.982 -5.089 19.019 132 HE1 TRP 17 HE1 TRP 17 -5.524 -3.214 19.874 133 HE3 TRP 17 HE3 TRP 17 -5.201 -7.056 23.577 134 HZ2 TRP 17 HZ2 TRP 17 -7.053 -2.644 22.177 135 HZ3 TRP 17 HZ3 TRP 17 -6.709 -5.782 25.046 136 HH2 TRP 17 HH2 TRP 17 -7.614 -3.622 24.359 137 H ASP 18 H ASP 18 -0.542 -5.222 20.371 138 HA ASP 18 HA ASP 18 1.213 -4.639 21.734 139 HB2 ASP 18 1HB ASP 18 0.486 -3.968 23.966 140 HB3 ASP 18 2HB ASP 18 -0.733 -3.534 22.770 141 H PHE 19 H PHE 19 1.546 -7.246 21.152 142 HA PHE 19 HA PHE 19 2.067 -8.602 23.703 143 HB2 PHE 19 1HB PHE 19 0.779 -9.656 21.667 144 HB3 PHE 19 2HB PHE 19 2.402 -9.939 21.046 145 HD1 PHE 19 HD1 PHE 19 0.001 -10.779 23.681 146 HD2 PHE 19 HD2 PHE 19 3.857 -11.557 22.056 147 HE1 PHE 19 HE1 PHE 19 0.165 -12.814 25.054 148 HE2 PHE 19 HE2 PHE 19 4.027 -13.594 23.425 149 HZ PHE 19 HZ PHE 19 2.179 -14.225 24.926 150 H LYS 20 H LYS 20 4.057 -8.550 24.485 151 HA LYS 20 HA LYS 20 6.318 -8.431 22.607 152 HB2 LYS 20 1HB LYS 20 6.233 -6.956 25.239 153 HB3 LYS 20 2HB LYS 20 7.472 -6.851 23.996 154 HG2 LYS 20 1HG LYS 20 4.618 -5.990 23.592 155 HG3 LYS 20 2HG LYS 20 5.918 -4.906 24.092 156 HD2 LYS 20 1HD LYS 20 7.082 -5.997 21.947 157 HD3 LYS 20 2HD LYS 20 5.393 -6.168 21.462 158 HE2 LYS 20 1HE LYS 20 6.823 -3.627 22.229 159 HE3 LYS 20 2HE LYS 20 6.239 -4.077 20.628 160 HZ1 LYS 20 3HZ LYS 20 4.745 -2.520 21.709 161 HZ2 LYS 20 1HZ LYS 20 4.537 -3.580 23.011 162 HZ3 LYS 20 2HZ LYS 20 3.977 -4.009 21.474 163 H SER 21 H SER 21 7.426 -10.254 22.816 164 HA SER 21 HA SER 21 7.459 -11.643 25.389 165 HB2 SER 21 1HB SER 21 8.163 -12.474 22.578 166 HB3 SER 21 2HB SER 21 8.608 -13.457 23.973 167 HG SER 21 HG SER 21 5.956 -12.581 23.521 168 H ARG 22 H ARG 22 9.734 -12.980 25.485 169 HA ARG 22 HA ARG 22 11.927 -11.067 25.124 170 HB2 ARG 22 1HB ARG 22 12.717 -11.348 27.367 171 HB3 ARG 22 2HB ARG 22 11.022 -10.887 27.452 172 HG2 ARG 22 1HG ARG 22 11.050 -13.687 27.389 173 HG3 ARG 22 2HG ARG 22 12.333 -13.208 28.503 174 HD2 ARG 22 1HD ARG 22 10.372 -11.529 29.279 175 HD3 ARG 22 2HD ARG 22 9.408 -12.896 28.721 176 HE ARG 22 HE ARG 22 11.538 -13.701 30.444 177 HH11 ARG 22 1HH1 ARG 22 8.318 -12.380 30.378 178 HH12 ARG 22 2HH1 ARG 22 7.905 -12.964 31.956 179 HH21 ARG 22 1HH2 ARG 22 11.007 -14.475 32.523 180 HH22 ARG 22 2HH2 ARG 22 9.436 -14.155 33.176 181 H THR 23 H THR 23 11.088 -13.584 23.808 182 HA THR 23 HA THR 23 13.641 -14.992 24.090 183 HB THR 23 HB THR 23 12.145 -17.142 23.644 184 HG1 THR 23 HG1 THR 23 10.204 -16.973 24.876 185 HG21 THR 23 3HG2 THR 23 11.984 -17.307 26.254 186 HG22 THR 23 1HG2 THR 23 12.915 -15.811 26.206 187 HG23 THR 23 2HG2 THR 23 13.560 -17.274 25.463 188 H ASP 24 H ASP 24 14.128 -16.393 22.244 189 HA ASP 24 HA ASP 24 13.533 -15.094 19.782 190 HB2 ASP 24 1HB ASP 24 14.907 -17.744 20.284 191 HB3 ASP 24 2HB ASP 24 14.913 -16.858 18.762 192 H GLU 25 H GLU 25 12.090 -17.679 21.526 193 HA GLU 25 HA GLU 25 10.843 -18.964 19.293 194 HB2 GLU 25 1HB GLU 25 9.457 -20.078 21.065 195 HB3 GLU 25 2HB GLU 25 11.194 -20.274 21.258 196 HG2 GLU 25 1HG GLU 25 11.264 -19.061 23.163 197 HG3 GLU 25 2HG GLU 25 9.955 -17.992 22.663 198 H GLU 26 H GLU 26 10.335 -16.023 20.749 199 HA GLU 26 HA GLU 26 7.640 -15.861 19.612 200 HB2 GLU 26 1HB GLU 26 8.437 -15.073 22.409 201 HB3 GLU 26 2HB GLU 26 7.020 -14.397 21.617 202 HG2 GLU 26 1HG GLU 26 6.402 -16.903 21.229 203 HG3 GLU 26 2HG GLU 26 7.514 -17.174 22.569 204 H LEU 27 H LEU 27 6.952 -13.672 19.141 205 HA LEU 27 HA LEU 27 9.230 -11.986 18.421 206 HB2 LEU 27 1HB LEU 27 6.415 -12.243 17.465 207 HB3 LEU 27 2HB LEU 27 7.281 -10.730 17.202 208 HG LEU 27 HG LEU 27 8.934 -12.885 16.332 209 HD11 LEU 27 1HD1 LEU 27 7.506 -13.738 14.505 210 HD12 LEU 27 2HD1 LEU 27 6.124 -12.931 15.244 211 HD13 LEU 27 3HD1 LEU 27 6.949 -14.230 16.104 212 HD21 LEU 27 3HD2 LEU 27 9.365 -10.933 15.255 213 HD22 LEU 27 1HD2 LEU 27 7.672 -10.439 15.234 214 HD23 LEU 27 2HD2 LEU 27 8.254 -11.639 14.079 215 H SER 28 H SER 28 9.145 -9.683 18.755 216 HA SER 28 HA SER 28 7.443 -8.881 21.022 217 HB2 SER 28 1HB SER 28 9.389 -7.463 21.783 218 HB3 SER 28 2HB SER 28 9.641 -9.203 21.929 219 HG SER 28 HG SER 28 11.221 -7.557 20.746 220 H PHE 29 H PHE 29 5.974 -7.767 19.772 221 HA PHE 29 HA PHE 29 6.780 -5.136 18.945 222 HB2 PHE 29 1HB PHE 29 6.049 -5.305 16.628 223 HB3 PHE 29 2HB PHE 29 7.339 -6.464 16.934 224 HD1 PHE 29 HD2 PHE 29 3.744 -6.059 16.323 225 HD2 PHE 29 HD1 PHE 29 6.945 -8.819 16.825 226 HE1 PHE 29 HE2 PHE 29 2.313 -7.869 15.468 227 HE2 PHE 29 HE1 PHE 29 5.519 -10.633 15.970 228 HZ PHE 29 HZ PHE 29 3.200 -10.160 15.292 229 H ARG 30 H ARG 30 4.904 -3.821 18.242 230 HA ARG 30 HA ARG 30 2.544 -4.605 19.769 231 HB2 ARG 30 1HB ARG 30 1.934 -2.315 19.781 232 HB3 ARG 30 2HB ARG 30 3.671 -2.354 20.052 233 HG2 ARG 30 1HG ARG 30 4.058 -1.795 17.711 234 HG3 ARG 30 2HG ARG 30 2.317 -1.775 17.425 235 HD2 ARG 30 1HD ARG 30 3.255 0.483 17.737 236 HD3 ARG 30 2HD ARG 30 2.047 0.074 18.955 237 HE ARG 30 HE ARG 30 4.753 -0.476 19.763 238 HH11 ARG 30 1HH1 ARG 30 2.234 1.922 19.608 239 HH12 ARG 30 2HH1 ARG 30 2.869 2.862 20.917 240 HH21 ARG 30 1HH2 ARG 30 5.599 0.754 21.488 241 HH22 ARG 30 2HH2 ARG 30 4.783 2.197 21.985 242 H ALA 31 H ALA 31 0.447 -4.577 18.914 243 HA ALA 31 HA ALA 31 0.047 -5.720 16.445 244 HB1 ALA 31 1HB ALA 31 -2.292 -4.302 16.887 245 HB2 ALA 31 2HB ALA 31 -1.927 -5.933 17.450 246 HB3 ALA 31 3HB ALA 31 -1.622 -4.549 18.500 247 H GLY 32 H GLY 32 -0.543 -4.991 14.406 248 HA2 GLY 32 1HA GLY 32 -1.175 -3.249 12.875 249 HA3 GLY 32 2HA GLY 32 -0.411 -2.086 13.948 250 H ASP 33 H ASP 33 1.841 -4.213 14.152 251 HA ASP 33 HA ASP 33 3.482 -3.016 12.127 252 HB2 ASP 33 1HB ASP 33 4.073 -3.944 14.551 253 HB3 ASP 33 2HB ASP 33 4.407 -5.413 13.637 254 H VAL 34 H VAL 34 4.268 -3.900 10.267 255 HA VAL 34 HA VAL 34 2.916 -6.320 9.329 256 HB VAL 34 HB VAL 34 3.664 -5.660 7.087 257 HG11 VAL 34 1HG1 VAL 34 1.687 -4.504 8.585 258 HG12 VAL 34 2HG1 VAL 34 2.553 -3.101 7.956 259 HG13 VAL 34 3HG1 VAL 34 1.898 -4.305 6.845 260 HG21 VAL 34 3HG2 VAL 34 4.505 -3.030 7.374 261 HG22 VAL 34 1HG2 VAL 34 5.396 -3.914 8.613 262 HG23 VAL 34 2HG2 VAL 34 5.504 -4.412 6.924 263 H PHE 35 H PHE 35 3.971 -8.145 8.704 264 HA PHE 35 HA PHE 35 6.873 -8.182 8.562 265 HB2 PHE 35 1HB PHE 35 6.705 -10.320 10.117 266 HB3 PHE 35 2HB PHE 35 6.896 -8.709 10.800 267 HD1 PHE 35 HD1 PHE 35 5.018 -7.583 11.875 268 HD2 PHE 35 HD2 PHE 35 4.666 -11.550 10.374 269 HE1 PHE 35 HE1 PHE 35 2.959 -7.892 13.186 270 HE2 PHE 35 HE2 PHE 35 2.606 -11.866 11.681 271 HZ PHE 35 HZ PHE 35 1.749 -10.035 13.089 272 H HIS 36 H HIS 36 7.709 -10.236 7.740 273 HA HIS 36 HA HIS 36 5.688 -11.683 6.156 274 HB2 HIS 36 1HB HIS 36 7.274 -10.203 4.857 275 HB3 HIS 36 2HB HIS 36 8.576 -11.271 5.373 276 HD1 HIS 36 HD1 HIS 36 5.129 -12.072 3.964 277 HD2 HIS 36 HD2 HIS 36 9.152 -12.792 3.219 278 HE1 HIS 36 HE1 HIS 36 5.179 -13.630 1.990 279 H VAL 37 H VAL 37 6.273 -13.917 5.591 280 HA VAL 37 HA VAL 37 7.597 -15.219 7.861 281 HB VAL 37 HB VAL 37 6.506 -17.302 6.983 282 HG11 VAL 37 1HG1 VAL 37 4.635 -16.909 8.208 283 HG12 VAL 37 2HG1 VAL 37 5.541 -15.462 8.654 284 HG13 VAL 37 3HG1 VAL 37 4.297 -15.375 7.406 285 HG21 VAL 37 3HG2 VAL 37 5.044 -15.369 5.185 286 HG22 VAL 37 1HG2 VAL 37 6.246 -16.546 4.656 287 HG23 VAL 37 2HG2 VAL 37 4.720 -17.094 5.350 288 H ALA 38 H ALA 38 9.419 -16.380 7.647 289 HA ALA 38 HA ALA 38 10.645 -16.488 4.987 290 HB1 ALA 38 1HB ALA 38 12.448 -17.359 6.998 291 HB2 ALA 38 2HB ALA 38 12.499 -15.879 6.039 292 HB3 ALA 38 3HB ALA 38 11.640 -15.903 7.579 293 H ARG 39 H ARG 39 9.784 -18.530 7.736 294 HA ARG 39 HA ARG 39 10.168 -20.882 6.006 295 HB2 ARG 39 1HB ARG 39 11.885 -20.609 7.871 296 HB3 ARG 39 2HB ARG 39 10.566 -20.912 8.993 297 HG2 ARG 39 1HG ARG 39 10.205 -23.102 8.031 298 HG3 ARG 39 2HG ARG 39 11.451 -22.798 6.820 299 HD2 ARG 39 1HD ARG 39 13.111 -22.569 8.630 300 HD3 ARG 39 2HD ARG 39 11.854 -22.955 9.805 301 HE ARG 39 HE ARG 39 12.143 -25.157 9.296 302 HH11 ARG 39 1HH1 ARG 39 13.366 -23.243 6.658 303 HH12 ARG 39 2HH1 ARG 39 13.986 -24.605 5.785 304 HH21 ARG 39 1HH2 ARG 39 12.955 -26.958 8.157 305 HH22 ARG 39 2HH2 ARG 39 13.751 -26.718 6.639 306 H LYS 40 H LYS 40 8.400 -22.069 5.725 307 HA LYS 40 HA LYS 40 6.118 -21.615 7.522 308 HB2 LYS 40 1HB LYS 40 4.805 -22.665 5.610 309 HB3 LYS 40 2HB LYS 40 5.494 -21.075 5.309 310 HG2 LYS 40 1HG LYS 40 6.924 -21.840 3.737 311 HG3 LYS 40 2HG LYS 40 7.159 -23.391 4.548 312 HD2 LYS 40 1HD LYS 40 4.537 -22.722 3.261 313 HD3 LYS 40 2HD LYS 40 5.885 -23.328 2.294 314 HE2 LYS 40 1HE LYS 40 5.095 -24.772 4.784 315 HE3 LYS 40 2HE LYS 40 4.131 -24.979 3.323 316 HZ1 LYS 40 3HZ LYS 40 6.491 -26.269 3.976 317 HZ2 LYS 40 1HZ LYS 40 6.879 -25.214 2.711 318 HZ3 LYS 40 2HZ LYS 40 5.646 -26.354 2.513 319 H GLU 41 H GLU 41 6.027 -23.104 9.077 320 HA GLU 41 HA GLU 41 6.627 -25.900 8.376 321 HB2 GLU 41 1HB GLU 41 7.720 -24.400 10.381 322 HB3 GLU 41 2HB GLU 41 6.409 -25.209 11.228 323 HG2 GLU 41 1HG GLU 41 8.088 -26.715 11.537 324 HG3 GLU 41 2HG GLU 41 7.377 -27.339 10.049 325 H GLU 42 H GLU 42 5.315 -27.562 9.399 326 HA GLU 42 HA GLU 42 2.530 -26.968 9.189 327 HB2 GLU 42 1HB GLU 42 2.179 -29.323 9.652 328 HB3 GLU 42 2HB GLU 42 3.490 -29.134 8.496 329 HG2 GLU 42 1HG GLU 42 5.124 -29.658 10.103 330 HG3 GLU 42 2HG GLU 42 3.985 -29.469 11.435 331 H GLN 43 H GLN 43 4.772 -26.791 11.721 332 HA GLN 43 HA GLN 43 2.738 -27.110 13.797 333 HB2 GLN 43 1HB GLN 43 5.693 -26.571 14.118 334 HB3 GLN 43 2HB GLN 43 4.566 -27.047 15.382 335 HG2 GLN 43 1HG GLN 43 4.189 -29.149 13.940 336 HG3 GLN 43 2HG GLN 43 5.693 -28.682 13.149 337 HE21 GLN 43 2HE2 GLN 43 5.672 -31.051 14.346 338 HE22 GLN 43 1HE2 GLN 43 6.573 -31.023 15.819 339 H TRP 44 H TRP 44 5.401 -24.792 13.302 340 HA TRP 44 HA TRP 44 3.510 -22.624 13.925 341 HB2 TRP 44 1HB TRP 44 6.384 -22.708 14.859 342 HB3 TRP 44 2HB TRP 44 5.161 -21.512 15.279 343 HD1 TRP 44 HD1 TRP 44 5.942 -25.254 15.872 344 HE1 TRP 44 HE1 TRP 44 4.890 -25.942 18.118 345 HE3 TRP 44 HE3 TRP 44 3.504 -20.902 16.992 346 HZ2 TRP 44 HZ2 TRP 44 3.244 -24.792 20.102 347 HZ3 TRP 44 HZ3 TRP 44 2.213 -20.778 19.083 348 HH2 TRP 44 HH2 TRP 44 2.087 -22.684 20.604 349 H TRP 45 H TRP 45 4.126 -20.521 13.093 350 HA TRP 45 HA TRP 45 5.645 -20.769 10.590 351 HB2 TRP 45 1HB TRP 45 3.255 -19.233 11.408 352 HB3 TRP 45 2HB TRP 45 4.384 -18.380 10.359 353 HD1 TRP 45 HD1 TRP 45 5.039 -19.850 8.013 354 HE1 TRP 45 HE1 TRP 45 3.421 -21.162 6.501 355 HE3 TRP 45 HE3 TRP 45 1.179 -20.477 11.306 356 HZ2 TRP 45 HZ2 TRP 45 0.849 -22.309 6.680 357 HZ3 TRP 45 HZ3 TRP 45 -0.825 -21.692 10.556 358 HH2 TRP 45 HH2 TRP 45 -0.985 -22.589 8.291 359 H TRP 46 H TRP 46 7.473 -19.655 10.279 360 HA TRP 46 HA TRP 46 8.500 -18.057 12.471 361 HB2 TRP 46 1HB TRP 46 9.688 -19.178 9.948 362 HB3 TRP 46 2HB TRP 46 10.548 -17.959 10.883 363 HD1 TRP 46 HD1 TRP 46 9.110 -21.524 11.324 364 HE1 TRP 46 HE1 TRP 46 10.513 -22.733 13.111 365 HE3 TRP 46 HE3 TRP 46 12.149 -17.658 12.722 366 HZ2 TRP 46 HZ2 TRP 46 12.628 -22.127 14.880 367 HZ3 TRP 46 HZ3 TRP 46 13.835 -18.056 14.468 368 HH2 TRP 46 HH2 TRP 46 14.068 -20.245 15.524 369 H ALA 47 H ALA 47 8.286 -15.929 12.571 370 HA ALA 47 HA ALA 47 7.838 -14.440 10.067 371 HB1 ALA 47 1HB ALA 47 6.230 -13.200 11.045 372 HB2 ALA 47 2HB ALA 47 6.112 -14.587 12.129 373 HB3 ALA 47 3HB ALA 47 7.050 -13.172 12.607 374 H THR 48 H THR 48 8.767 -12.337 9.887 375 HA THR 48 HA THR 48 10.988 -11.796 11.739 376 HB THR 48 HB THR 48 11.182 -11.535 8.733 377 HG1 THR 48 HG1 THR 48 12.866 -13.282 9.302 378 HG21 THR 48 3HG2 THR 48 13.622 -11.588 10.349 379 HG22 THR 48 1HG2 THR 48 12.591 -10.192 10.662 380 HG23 THR 48 2HG2 THR 48 13.163 -10.516 9.025 381 H LEU 49 H LEU 49 10.754 -9.850 12.603 382 HA LEU 49 HA LEU 49 8.975 -7.904 11.450 383 HB2 LEU 49 1HB LEU 49 10.010 -8.465 14.005 384 HB3 LEU 49 2HB LEU 49 10.572 -6.849 13.586 385 HG LEU 49 HG LEU 49 8.432 -6.952 14.897 386 HD11 LEU 49 1HD1 LEU 49 7.778 -5.001 13.983 387 HD12 LEU 49 2HD1 LEU 49 7.695 -5.666 12.352 388 HD13 LEU 49 3HD1 LEU 49 9.252 -5.192 13.033 389 HD21 LEU 49 3HD2 LEU 49 6.931 -7.565 12.431 390 HD22 LEU 49 1HD2 LEU 49 6.552 -7.929 14.115 391 HD23 LEU 49 2HD2 LEU 49 7.705 -8.932 13.234 392 H LEU 50 H LEU 50 9.577 -6.596 9.865 393 HA LEU 50 HA LEU 50 12.384 -5.716 9.745 394 HB2 LEU 50 1HB LEU 50 10.660 -5.314 7.393 395 HB3 LEU 50 2HB LEU 50 12.338 -5.843 7.493 396 HG LEU 50 HG LEU 50 9.922 -7.582 7.991 397 HD11 LEU 50 1HD1 LEU 50 10.337 -8.572 5.876 398 HD12 LEU 50 2HD1 LEU 50 11.834 -7.664 5.670 399 HD13 LEU 50 3HD1 LEU 50 10.283 -6.827 5.622 400 HD21 LEU 50 3HD2 LEU 50 12.760 -8.485 7.630 401 HD22 LEU 50 1HD2 LEU 50 11.385 -9.382 8.275 402 HD23 LEU 50 2HD2 LEU 50 12.111 -8.082 9.220 403 H ASP 51 H ASP 51 12.797 -3.526 9.049 404 HA ASP 51 HA ASP 51 11.089 -1.646 10.354 405 HB2 ASP 51 1HB ASP 51 13.728 -1.665 9.834 406 HB3 ASP 51 2HB ASP 51 13.181 -0.669 8.488 407 H GLU 52 H GLU 52 10.677 0.518 9.073 408 HA GLU 52 HA GLU 52 8.634 0.017 7.241 409 HB2 GLU 52 1HB GLU 52 8.531 2.387 6.901 410 HB3 GLU 52 2HB GLU 52 8.917 2.102 8.592 411 HG2 GLU 52 1HG GLU 52 11.301 2.517 8.070 412 HG3 GLU 52 2HG GLU 52 10.829 2.927 6.422 413 H ALA 53 H ALA 53 12.045 0.340 6.781 414 HA ALA 53 HA ALA 53 11.853 0.798 3.930 415 HB1 ALA 53 1HB ALA 53 14.021 1.358 4.030 416 HB2 ALA 53 2HB ALA 53 13.771 1.372 5.776 417 HB3 ALA 53 3HB ALA 53 14.444 -0.057 4.993 418 H GLY 54 H GLY 54 11.878 -1.885 6.047 419 HA2 GLY 54 1HA GLY 54 11.214 -4.030 5.117 420 HA3 GLY 54 2HA GLY 54 12.234 -3.678 3.730 421 H GLY 55 H GLY 55 14.131 -2.573 6.010 422 HA2 GLY 55 1HA GLY 55 15.864 -4.811 5.998 423 HA3 GLY 55 2HA GLY 55 16.057 -3.366 6.979 424 H ALA 56 H ALA 56 15.840 -6.584 7.195 425 HA ALA 56 HA ALA 56 13.964 -7.220 9.111 426 HB1 ALA 56 1HB ALA 56 15.679 -8.961 9.860 427 HB2 ALA 56 2HB ALA 56 15.155 -9.003 8.176 428 HB3 ALA 56 3HB ALA 56 16.716 -8.298 8.596 429 H VAL 57 H VAL 57 14.085 -7.468 11.405 430 HA VAL 57 HA VAL 57 16.161 -5.956 12.796 431 HB VAL 57 HB VAL 57 13.243 -5.401 13.325 432 HG11 VAL 57 1HG1 VAL 57 14.338 -3.373 14.463 433 HG12 VAL 57 2HG1 VAL 57 14.440 -4.937 15.273 434 HG13 VAL 57 3HG1 VAL 57 15.828 -4.311 14.382 435 HG21 VAL 57 3HG2 VAL 57 15.225 -3.768 11.741 436 HG22 VAL 57 1HG2 VAL 57 13.781 -4.566 11.117 437 HG23 VAL 57 2HG2 VAL 57 13.627 -3.217 12.243 438 H ALA 58 H ALA 58 12.981 -7.396 13.544 439 HA ALA 58 HA ALA 58 14.277 -8.906 15.712 440 HB1 ALA 58 1HB ALA 58 11.316 -8.552 15.510 441 HB2 ALA 58 2HB ALA 58 12.322 -8.803 16.937 442 HB3 ALA 58 3HB ALA 58 12.326 -7.240 16.121 443 H GLN 59 H GLN 59 13.528 -11.089 16.118 444 HA GLN 59 HA GLN 59 12.353 -12.417 13.776 445 HB2 GLN 59 1HB GLN 59 14.672 -13.567 15.324 446 HB3 GLN 59 2HB GLN 59 13.976 -14.168 13.825 447 HG2 GLN 59 1HG GLN 59 14.702 -11.964 12.789 448 HG3 GLN 59 2HG GLN 59 15.660 -11.725 14.249 449 HE21 GLN 59 2HE2 GLN 59 15.028 -14.204 11.790 450 HE22 GLN 59 1HE2 GLN 59 16.667 -14.733 11.657 451 H GLY 60 H GLY 60 11.468 -14.563 14.248 452 HA2 GLY 60 1HA GLY 60 11.173 -15.969 16.475 453 HA3 GLY 60 2HA GLY 60 10.205 -14.559 16.879 454 H TYR 61 H TYR 61 8.995 -16.974 16.883 455 HA TYR 61 HA TYR 61 7.319 -16.855 14.465 456 HB2 TYR 61 1HB TYR 61 6.996 -19.318 14.689 457 HB3 TYR 61 2HB TYR 61 8.651 -18.861 14.303 458 HD1 TYR 61 HD1 TYR 61 6.461 -19.748 17.184 459 HD2 TYR 61 HD2 TYR 61 10.409 -19.666 15.600 460 HE1 TYR 61 HE1 TYR 61 7.261 -21.027 19.127 461 HE2 TYR 61 HE2 TYR 61 11.219 -20.946 17.538 462 HH TYR 61 HH TYR 61 10.222 -22.552 19.231 463 H VAL 62 H VAL 62 5.105 -17.424 14.752 464 HA VAL 62 HA VAL 62 4.136 -17.650 17.498 465 HB VAL 62 HB VAL 62 2.356 -15.895 16.923 466 HG11 VAL 62 1HG1 VAL 62 4.897 -14.439 17.148 467 HG12 VAL 62 2HG1 VAL 62 3.496 -14.454 18.220 468 HG13 VAL 62 3HG1 VAL 62 4.685 -15.754 18.303 469 HG21 VAL 62 3HG2 VAL 62 2.590 -14.513 15.142 470 HG22 VAL 62 1HG2 VAL 62 4.352 -14.587 15.179 471 HG23 VAL 62 2HG2 VAL 62 3.428 -15.910 14.467 472 HA PRO 63 HA PRO 63 1.134 -20.345 15.767 473 HB2 PRO 63 1HB PRO 63 -0.985 -19.927 17.411 474 HB3 PRO 63 2HB PRO 63 0.467 -20.800 17.917 475 HG2 PRO 63 1HG PRO 63 -0.302 -17.951 18.421 476 HG3 PRO 63 2HG PRO 63 0.413 -19.130 19.535 477 HD2 PRO 63 1HD PRO 63 1.879 -17.214 18.305 478 HD3 PRO 63 2HD PRO 63 2.540 -18.812 18.707 479 H HIS 64 H HIS 64 -0.450 -20.366 14.242 480 HA HIS 64 HA HIS 64 -1.192 -17.962 12.977 481 HB2 HIS 64 1HB HIS 64 -2.516 -19.321 11.502 482 HB3 HIS 64 2HB HIS 64 -1.038 -20.205 11.870 483 HD1 HIS 64 HD1 HIS 64 -1.395 -22.008 13.956 484 HD2 HIS 64 HD2 HIS 64 -4.744 -20.817 11.803 485 HE1 HIS 64 HE1 HIS 64 -3.142 -23.759 14.407 486 H ASN 65 H ASN 65 -2.578 -19.710 15.594 487 HA ASN 65 HA ASN 65 -5.256 -18.831 15.365 488 HB2 ASN 65 1HB ASN 65 -3.666 -19.704 17.786 489 HB3 ASN 65 2HB ASN 65 -5.406 -19.434 17.786 490 HD21 ASN 65 2HD2 ASN 65 -6.315 -20.557 15.581 491 HD22 ASN 65 1HD2 ASN 65 -5.945 -22.244 15.522 492 H TYR 66 H TYR 66 -2.393 -17.212 16.225 493 HA TYR 66 HA TYR 66 -3.904 -15.060 17.546 494 HB2 TYR 66 1HB TYR 66 -1.713 -16.282 18.502 495 HB3 TYR 66 2HB TYR 66 -0.934 -15.023 17.550 496 HD1 TYR 66 HD1 TYR 66 -2.322 -12.639 17.891 497 HD2 TYR 66 HD2 TYR 66 -1.864 -15.769 20.737 498 HE1 TYR 66 HE1 TYR 66 -2.690 -11.028 19.713 499 HE2 TYR 66 HE2 TYR 66 -2.231 -14.167 22.566 500 HH TYR 66 HH TYR 66 -3.627 -11.428 22.362 501 H LEU 67 H LEU 67 -1.528 -15.742 15.023 502 HA LEU 67 HA LEU 67 -1.653 -12.985 14.081 503 HB2 LEU 67 1HB LEU 67 0.382 -14.791 14.177 504 HB3 LEU 67 2HB LEU 67 -0.147 -14.948 12.503 505 HG LEU 67 HG LEU 67 1.623 -13.387 12.500 506 HD11 LEU 67 1HD1 LEU 67 -0.531 -12.801 11.265 507 HD12 LEU 67 2HD1 LEU 67 0.635 -11.504 11.523 508 HD13 LEU 67 3HD1 LEU 67 -0.799 -11.616 12.543 509 HD21 LEU 67 3HD2 LEU 67 2.087 -11.871 14.108 510 HD22 LEU 67 1HD2 LEU 67 1.074 -12.930 15.089 511 HD23 LEU 67 2HD2 LEU 67 0.390 -11.469 14.375 512 H ALA 68 H ALA 68 -2.566 -12.346 12.180 513 HA ALA 68 HA ALA 68 -4.010 -14.408 10.645 514 HB1 ALA 68 1HB ALA 68 -5.112 -11.683 10.588 515 HB2 ALA 68 2HB ALA 68 -5.933 -13.240 10.702 516 HB3 ALA 68 3HB ALA 68 -5.222 -12.510 12.141 517 H GLU 69 H GLU 69 -3.703 -14.436 8.498 518 HA GLU 69 HA GLU 69 -1.657 -12.847 7.338 519 HB2 GLU 69 1HB GLU 69 -2.022 -14.083 5.347 520 HB3 GLU 69 2HB GLU 69 -2.296 -15.203 6.674 521 HG2 GLU 69 1HG GLU 69 -4.785 -14.503 6.393 522 HG3 GLU 69 2HG GLU 69 -4.259 -13.982 4.793 523 H ARG 70 H ARG 70 -1.745 -11.039 6.129 524 HA ARG 70 HA ARG 70 -4.402 -9.848 5.698 525 HB2 ARG 70 1HB ARG 70 -1.739 -8.429 5.869 526 HB3 ARG 70 2HB ARG 70 -3.326 -7.677 5.776 527 HG2 ARG 70 1HG ARG 70 -2.565 -9.495 8.036 528 HG3 ARG 70 2HG ARG 70 -2.199 -7.769 8.053 529 HD2 ARG 70 1HD ARG 70 -4.229 -7.805 9.131 530 HD3 ARG 70 2HD ARG 70 -4.732 -7.525 7.465 531 HE ARG 70 HE ARG 70 -4.750 -10.245 7.756 532 HH11 ARG 70 1HH1 ARG 70 -6.274 -7.565 9.374 533 HH12 ARG 70 2HH1 ARG 70 -7.685 -8.467 9.817 534 HH21 ARG 70 1HH2 ARG 70 -6.603 -11.443 8.334 535 HH22 ARG 70 2HH2 ARG 70 -7.871 -10.673 9.226 536 H GLU 71 H GLU 71 -3.612 -11.689 3.841 537 HA GLU 71 HA GLU 71 -2.098 -10.867 1.685 538 HB2 GLU 71 1HB GLU 71 -4.664 -12.462 1.559 539 HB3 GLU 71 2HB GLU 71 -3.404 -12.425 0.333 540 HG2 GLU 71 1HG GLU 71 -1.856 -13.511 1.801 541 HG3 GLU 71 2HG GLU 71 -2.988 -13.401 3.147 542 H THR 72 H THR 72 -2.449 -9.674 -0.149 543 HA THR 72 HA THR 72 -4.046 -7.418 -0.024 544 HB THR 72 HB THR 72 -3.676 -7.187 -2.471 545 HG1 THR 72 HG1 THR 72 -2.281 -8.875 -3.396 546 HG21 THR 72 3HG2 THR 72 -1.119 -7.340 -2.326 547 HG22 THR 72 1HG2 THR 72 -1.374 -7.901 -0.674 548 HG23 THR 72 2HG2 THR 72 -1.941 -6.303 -1.159 Start of MODEL 10 1 H1 MET 1 H MET 1 20.517 -3.040 -9.740 2 HA MET 1 HA MET 1 20.889 -2.720 -6.978 3 HB2 MET 1 1HB MET 1 20.451 -0.885 -9.283 4 HB3 MET 1 2HB MET 1 20.251 -0.227 -7.664 5 HG2 MET 1 1HG MET 1 22.456 0.225 -8.057 6 HG3 MET 1 2HG MET 1 22.571 -1.329 -7.235 7 HE1 MET 1 3HE MET 1 25.370 -2.283 -9.467 8 HE2 MET 1 1HE MET 1 25.243 -0.593 -8.978 9 HE3 MET 1 2HE MET 1 24.764 -1.871 -7.862 10 H VAL 2 H VAL 2 18.041 -2.189 -9.020 11 HA VAL 2 HA VAL 2 16.434 -1.696 -6.613 12 HB VAL 2 HB VAL 2 16.254 -0.045 -8.446 13 HG11 VAL 2 1HG1 VAL 2 16.606 -1.669 -10.294 14 HG12 VAL 2 2HG1 VAL 2 14.970 -2.272 -10.022 15 HG13 VAL 2 3HG1 VAL 2 15.222 -0.605 -10.541 16 HG21 VAL 2 3HG2 VAL 2 14.380 -0.535 -6.860 17 HG22 VAL 2 1HG2 VAL 2 13.873 0.142 -8.408 18 HG23 VAL 2 2HG2 VAL 2 13.686 -1.584 -8.097 19 H SER 3 H SER 3 16.868 -3.906 -9.279 20 HA SER 3 HA SER 3 14.611 -5.525 -8.304 21 HB2 SER 3 1HB SER 3 14.770 -6.670 -10.535 22 HB3 SER 3 2HB SER 3 14.340 -4.962 -10.630 23 HG SER 3 HG SER 3 15.977 -4.839 -11.937 24 H ARG 4 H ARG 4 16.877 -5.631 -6.784 25 HA ARG 4 HA ARG 4 18.685 -7.680 -7.552 26 HB2 ARG 4 1HB ARG 4 18.009 -6.593 -4.813 27 HB3 ARG 4 2HB ARG 4 19.364 -7.655 -5.167 28 HG2 ARG 4 1HG ARG 4 19.034 -5.011 -6.540 29 HG3 ARG 4 2HG ARG 4 19.831 -5.159 -4.973 30 HD2 ARG 4 1HD ARG 4 20.644 -6.803 -7.354 31 HD3 ARG 4 2HD ARG 4 21.316 -5.203 -7.043 32 HE ARG 4 HE ARG 4 21.538 -6.844 -4.745 33 HH11 ARG 4 1HH1 ARG 4 22.916 -6.332 -7.901 34 HH12 ARG 4 2HH1 ARG 4 24.472 -6.957 -7.467 35 HH21 ARG 4 1HH2 ARG 4 23.583 -7.670 -4.162 36 HH22 ARG 4 2HH2 ARG 4 24.850 -7.719 -5.340 37 H ASP 5 H ASP 5 15.892 -7.646 -5.348 38 HA ASP 5 HA ASP 5 15.717 -10.567 -5.681 39 HB2 ASP 5 1HB ASP 5 15.110 -10.852 -3.392 40 HB3 ASP 5 2HB ASP 5 16.557 -9.848 -3.407 41 H GLN 6 H GLN 6 13.426 -11.274 -4.755 42 HA GLN 6 HA GLN 6 11.507 -9.896 -6.420 43 HB2 GLN 6 1HB GLN 6 11.749 -12.441 -6.147 44 HB3 GLN 6 2HB GLN 6 10.914 -12.229 -4.613 45 HG2 GLN 6 1HG GLN 6 9.384 -12.891 -6.385 46 HG3 GLN 6 2HG GLN 6 8.995 -11.290 -5.759 47 HE21 GLN 6 2HE2 GLN 6 10.675 -12.957 -8.376 48 HE22 GLN 6 1HE2 GLN 6 10.409 -11.734 -9.567 49 H ALA 7 H ALA 7 10.882 -7.994 -5.529 50 HA ALA 7 HA ALA 7 10.253 -7.783 -2.717 51 HB1 ALA 7 1HB ALA 7 9.410 -5.442 -3.675 52 HB2 ALA 7 2HB ALA 7 11.111 -5.783 -3.357 53 HB3 ALA 7 3HB ALA 7 10.478 -5.910 -4.998 54 H HIS 8 H HIS 8 8.552 -8.279 -5.706 55 HA HIS 8 HA HIS 8 5.960 -7.698 -4.535 56 HB2 HIS 8 1HB HIS 8 6.550 -7.173 -6.935 57 HB3 HIS 8 2HB HIS 8 6.535 -8.906 -7.243 58 HD1 HIS 8 HD1 HIS 8 3.979 -7.326 -5.005 59 HD2 HIS 8 HD2 HIS 8 4.293 -8.763 -8.891 60 HE1 HIS 8 HE1 HIS 8 1.623 -7.418 -5.881 61 H LEU 9 H LEU 9 6.428 -9.399 -2.849 62 HA LEU 9 HA LEU 9 5.755 -12.088 -3.838 63 HB2 LEU 9 1HB LEU 9 7.247 -11.131 -1.421 64 HB3 LEU 9 2HB LEU 9 6.546 -12.747 -1.477 65 HG LEU 9 HG LEU 9 8.497 -11.767 -3.547 66 HD11 LEU 9 1HD1 LEU 9 9.279 -11.772 -1.047 67 HD12 LEU 9 2HD1 LEU 9 10.302 -12.453 -2.311 68 HD13 LEU 9 3HD1 LEU 9 9.338 -13.519 -1.288 69 HD21 LEU 9 3HD2 LEU 9 8.757 -14.060 -4.080 70 HD22 LEU 9 1HD2 LEU 9 7.021 -13.768 -3.970 71 HD23 LEU 9 2HD2 LEU 9 7.865 -14.569 -2.645 72 H GLY 10 H GLY 10 3.528 -10.983 -3.926 73 HA2 GLY 10 1HA GLY 10 1.376 -10.978 -3.124 74 HA3 GLY 10 2HA GLY 10 1.937 -12.061 -1.859 75 HA PRO 11 HA PRO 11 0.732 -7.879 -0.085 76 HB2 PRO 11 1HB PRO 11 -1.218 -8.807 1.561 77 HB3 PRO 11 2HB PRO 11 -1.525 -8.311 -0.107 78 HG2 PRO 11 1HG PRO 11 -1.143 -11.061 1.012 79 HG3 PRO 11 2HG PRO 11 -2.328 -10.492 -0.178 80 HD2 PRO 11 1HD PRO 11 -0.075 -11.817 -0.885 81 HD3 PRO 11 2HD PRO 11 -0.813 -10.571 -1.913 82 H LYS 12 H LYS 12 0.621 -7.363 2.320 83 HA LYS 12 HA LYS 12 2.769 -8.804 3.642 84 HB2 LYS 12 1HB LYS 12 1.877 -6.123 3.601 85 HB3 LYS 12 2HB LYS 12 1.652 -6.698 5.248 86 HG2 LYS 12 1HG LYS 12 3.862 -6.825 5.649 87 HG3 LYS 12 2HG LYS 12 4.238 -7.364 4.011 88 HD2 LYS 12 1HD LYS 12 3.884 -5.059 3.203 89 HD3 LYS 12 2HD LYS 12 3.587 -4.542 4.864 90 HE2 LYS 12 1HE LYS 12 5.915 -5.636 5.313 91 HE3 LYS 12 2HE LYS 12 6.132 -5.435 3.575 92 HZ1 LYS 12 3HZ LYS 12 5.180 -3.129 5.099 93 HZ2 LYS 12 1HZ LYS 12 6.198 -3.187 3.748 94 HZ3 LYS 12 2HZ LYS 12 6.804 -3.566 5.281 95 H TYR 13 H TYR 13 2.559 -9.209 6.031 96 HA TYR 13 HA TYR 13 -0.137 -10.221 6.659 97 HB2 TYR 13 1HB TYR 13 2.537 -11.438 7.380 98 HB3 TYR 13 2HB TYR 13 0.978 -12.030 7.943 99 HD1 TYR 13 HD1 TYR 13 2.886 -11.349 4.815 100 HD2 TYR 13 HD2 TYR 13 -0.168 -13.631 6.703 101 HE1 TYR 13 HE1 TYR 13 2.701 -12.753 2.804 102 HE2 TYR 13 HE2 TYR 13 -0.361 -15.042 4.697 103 HH TYR 13 HH TYR 13 0.193 -15.198 2.496 104 H VAL 14 H VAL 14 -0.970 -9.783 8.638 105 HA VAL 14 HA VAL 14 0.754 -8.521 10.646 106 HB VAL 14 HB VAL 14 -0.561 -6.828 9.183 107 HG11 VAL 14 1HG1 VAL 14 -2.805 -6.612 9.420 108 HG12 VAL 14 2HG1 VAL 14 -2.692 -8.341 9.757 109 HG13 VAL 14 3HG1 VAL 14 -2.795 -7.186 11.087 110 HG21 VAL 14 3HG2 VAL 14 -1.273 -5.778 11.625 111 HG22 VAL 14 1HG2 VAL 14 0.002 -6.923 12.038 112 HG23 VAL 14 2HG2 VAL 14 0.313 -5.643 10.866 113 H GLY 15 H GLY 15 0.032 -8.718 12.791 114 HA2 GLY 15 1HA GLY 15 -2.301 -9.489 13.868 115 HA3 GLY 15 2HA GLY 15 -1.700 -11.008 13.220 116 H LEU 16 H LEU 16 0.193 -8.393 14.660 117 HA LEU 16 HA LEU 16 0.996 -10.271 16.783 118 HB2 LEU 16 1HB LEU 16 2.610 -9.160 14.913 119 HB3 LEU 16 2HB LEU 16 2.737 -7.969 16.205 120 HG LEU 16 HG LEU 16 4.553 -9.617 16.271 121 HD11 LEU 16 1HD1 LEU 16 2.597 -9.358 18.499 122 HD12 LEU 16 2HD1 LEU 16 4.251 -8.759 18.369 123 HD13 LEU 16 3HD1 LEU 16 3.955 -10.469 18.685 124 HD21 LEU 16 3HD2 LEU 16 4.231 -11.807 16.049 125 HD22 LEU 16 1HD2 LEU 16 2.555 -11.440 15.641 126 HD23 LEU 16 2HD2 LEU 16 2.993 -11.823 17.306 127 H TRP 17 H TRP 17 -1.018 -9.353 17.805 128 HA TRP 17 HA TRP 17 -1.433 -6.776 18.601 129 HB2 TRP 17 1HB TRP 17 -2.673 -9.071 19.159 130 HB3 TRP 17 2HB TRP 17 -1.816 -8.871 20.684 131 HD1 TRP 17 HD1 TRP 17 -3.548 -6.124 18.565 132 HE1 TRP 17 HE1 TRP 17 -5.291 -4.956 20.057 133 HE3 TRP 17 HE3 TRP 17 -3.077 -8.998 22.767 134 HZ2 TRP 17 HZ2 TRP 17 -6.329 -5.218 22.669 135 HZ3 TRP 17 HZ3 TRP 17 -4.481 -8.473 24.719 136 HH2 TRP 17 HH2 TRP 17 -6.072 -6.621 24.669 137 H ASP 18 H ASP 18 -1.093 -5.753 20.743 138 HA ASP 18 HA ASP 18 1.547 -5.282 21.305 139 HB2 ASP 18 1HB ASP 18 0.722 -4.476 23.569 140 HB3 ASP 18 2HB ASP 18 -0.071 -3.771 22.163 141 H PHE 19 H PHE 19 2.941 -6.933 21.614 142 HA PHE 19 HA PHE 19 2.722 -8.402 24.112 143 HB2 PHE 19 1HB PHE 19 1.717 -9.676 21.994 144 HB3 PHE 19 2HB PHE 19 3.415 -10.069 21.745 145 HD1 PHE 19 HD2 PHE 19 4.672 -11.090 23.750 146 HD2 PHE 19 HD1 PHE 19 0.430 -10.942 23.438 147 HE1 PHE 19 HE2 PHE 19 4.491 -12.911 25.395 148 HE2 PHE 19 HE1 PHE 19 0.242 -12.762 25.083 149 HZ PHE 19 HZ PHE 19 2.274 -13.749 26.063 150 H LYS 20 H LYS 20 4.612 -8.210 25.094 151 HA LYS 20 HA LYS 20 7.052 -8.082 23.444 152 HB2 LYS 20 1HB LYS 20 6.318 -6.588 25.955 153 HB3 LYS 20 2HB LYS 20 7.988 -6.756 25.430 154 HG2 LYS 20 1HG LYS 20 7.458 -4.740 24.504 155 HG3 LYS 20 2HG LYS 20 7.045 -5.820 23.170 156 HD2 LYS 20 1HD LYS 20 4.690 -5.818 23.984 157 HD3 LYS 20 2HD LYS 20 5.152 -4.606 25.182 158 HE2 LYS 20 1HE LYS 20 5.707 -4.165 22.273 159 HE3 LYS 20 2HE LYS 20 4.106 -3.842 22.936 160 HZ1 LYS 20 3HZ LYS 20 5.532 -1.868 22.913 161 HZ2 LYS 20 1HZ LYS 20 6.631 -2.643 23.940 162 HZ3 LYS 20 2HZ LYS 20 5.069 -2.289 24.484 163 H SER 21 H SER 21 7.882 -10.086 23.589 164 HA SER 21 HA SER 21 7.938 -11.427 26.191 165 HB2 SER 21 1HB SER 21 8.426 -12.394 23.373 166 HB3 SER 21 2HB SER 21 8.792 -13.382 24.788 167 HG SER 21 HG SER 21 6.281 -12.406 23.927 168 H ARG 22 H ARG 22 10.060 -12.901 26.321 169 HA ARG 22 HA ARG 22 12.364 -11.121 25.866 170 HB2 ARG 22 1HB ARG 22 11.890 -12.918 28.251 171 HB3 ARG 22 2HB ARG 22 13.316 -11.926 27.981 172 HG2 ARG 22 1HG ARG 22 12.275 -10.015 28.593 173 HG3 ARG 22 2HG ARG 22 10.713 -10.531 27.954 174 HD2 ARG 22 1HD ARG 22 10.145 -11.651 29.872 175 HD3 ARG 22 2HD ARG 22 11.823 -11.955 30.319 176 HE ARG 22 HE ARG 22 11.204 -9.182 30.429 177 HH11 ARG 22 1HH1 ARG 22 10.818 -12.188 32.143 178 HH12 ARG 22 2HH1 ARG 22 10.685 -11.435 33.698 179 HH21 ARG 22 1HH2 ARG 22 11.030 -8.179 32.470 180 HH22 ARG 22 2HH2 ARG 22 10.805 -9.154 33.883 181 H THR 23 H THR 23 11.294 -13.391 24.287 182 HA THR 23 HA THR 23 13.799 -14.868 24.078 183 HB THR 23 HB THR 23 12.210 -16.971 23.693 184 HG1 THR 23 HG1 THR 23 10.263 -16.016 24.211 185 HG21 THR 23 3HG2 THR 23 12.671 -17.640 26.029 186 HG22 THR 23 1HG2 THR 23 13.146 -15.981 26.388 187 HG23 THR 23 2HG2 THR 23 14.080 -16.936 25.237 188 H ASP 24 H ASP 24 14.134 -15.841 22.036 189 HA ASP 24 HA ASP 24 13.152 -14.412 19.844 190 HB2 ASP 24 1HB ASP 24 14.435 -17.152 19.891 191 HB3 ASP 24 2HB ASP 24 14.240 -16.144 18.460 192 H GLU 25 H GLU 25 11.860 -17.130 21.520 193 HA GLU 25 HA GLU 25 10.301 -18.308 19.518 194 HB2 GLU 25 1HB GLU 25 9.496 -18.066 22.415 195 HB3 GLU 25 2HB GLU 25 9.043 -19.327 21.277 196 HG2 GLU 25 1HG GLU 25 11.507 -19.906 21.159 197 HG3 GLU 25 2HG GLU 25 11.714 -18.854 22.558 198 H GLU 26 H GLU 26 9.979 -15.293 21.117 199 HA GLU 26 HA GLU 26 7.401 -14.872 19.770 200 HB2 GLU 26 1HB GLU 26 8.069 -14.485 22.641 201 HB3 GLU 26 2HB GLU 26 7.054 -13.266 21.882 202 HG2 GLU 26 1HG GLU 26 5.853 -15.552 21.047 203 HG3 GLU 26 2HG GLU 26 6.444 -16.027 22.638 204 H LEU 27 H LEU 27 6.920 -12.621 19.312 205 HA LEU 27 HA LEU 27 9.344 -11.155 18.637 206 HB2 LEU 27 1HB LEU 27 6.459 -10.878 17.849 207 HB3 LEU 27 2HB LEU 27 7.659 -9.651 17.448 208 HG LEU 27 HG LEU 27 7.341 -11.031 15.530 209 HD11 LEU 27 1HD1 LEU 27 9.878 -12.109 16.694 210 HD12 LEU 27 2HD1 LEU 27 9.707 -10.389 16.343 211 HD13 LEU 27 3HD1 LEU 27 9.541 -11.574 15.047 212 HD21 LEU 27 3HD2 LEU 27 6.530 -12.987 17.079 213 HD22 LEU 27 1HD2 LEU 27 8.213 -13.499 16.955 214 HD23 LEU 27 2HD2 LEU 27 7.236 -13.323 15.497 215 H SER 28 H SER 28 9.551 -8.876 19.064 216 HA SER 28 HA SER 28 8.173 -8.065 21.539 217 HB2 SER 28 1HB SER 28 10.330 -6.531 21.675 218 HB3 SER 28 2HB SER 28 10.366 -8.201 22.239 219 HG SER 28 HG SER 28 11.957 -8.382 20.877 220 H PHE 29 H PHE 29 6.549 -7.310 19.868 221 HA PHE 29 HA PHE 29 6.887 -4.479 19.508 222 HB2 PHE 29 1HB PHE 29 7.877 -5.830 17.439 223 HB3 PHE 29 2HB PHE 29 6.180 -5.875 16.971 224 HD1 PHE 29 HD2 PHE 29 8.949 -3.584 17.865 225 HD2 PHE 29 HD1 PHE 29 5.158 -4.022 15.981 226 HE1 PHE 29 HE2 PHE 29 9.149 -1.312 16.943 227 HE2 PHE 29 HE1 PHE 29 5.352 -1.751 15.054 228 HZ PHE 29 HZ PHE 29 7.349 -0.392 15.536 229 H ARG 30 H ARG 30 4.893 -3.466 18.615 230 HA ARG 30 HA ARG 30 2.561 -4.888 19.646 231 HB2 ARG 30 1HB ARG 30 1.463 -2.765 19.712 232 HB3 ARG 30 2HB ARG 30 3.082 -2.541 20.362 233 HG2 ARG 30 1HG ARG 30 3.818 -1.594 18.245 234 HG3 ARG 30 2HG ARG 30 2.210 -1.848 17.565 235 HD2 ARG 30 1HD ARG 30 1.248 -0.214 18.926 236 HD3 ARG 30 2HD ARG 30 2.597 -0.234 20.060 237 HE ARG 30 HE ARG 30 3.391 0.622 17.456 238 HH11 ARG 30 1HH1 ARG 30 1.872 1.658 20.412 239 HH12 ARG 30 2HH1 ARG 30 2.300 3.324 20.201 240 HH21 ARG 30 1HH2 ARG 30 3.959 2.812 17.166 241 HH22 ARG 30 2HH2 ARG 30 3.486 3.979 18.354 242 H ALA 31 H ALA 31 0.464 -4.506 18.428 243 HA ALA 31 HA ALA 31 0.651 -5.669 15.871 244 HB1 ALA 31 1HB ALA 31 -1.413 -6.154 16.571 245 HB2 ALA 31 2HB ALA 31 -1.473 -4.757 17.647 246 HB3 ALA 31 3HB ALA 31 -1.863 -4.571 15.937 247 H GLY 32 H GLY 32 -0.488 -4.672 13.914 248 HA2 GLY 32 1HA GLY 32 -0.899 -2.817 12.517 249 HA3 GLY 32 2HA GLY 32 -0.080 -1.787 13.683 250 H ASP 33 H ASP 33 2.181 -3.767 13.799 251 HA ASP 33 HA ASP 33 3.757 -2.566 11.733 252 HB2 ASP 33 1HB ASP 33 4.450 -3.379 14.131 253 HB3 ASP 33 2HB ASP 33 4.697 -4.925 13.323 254 H VAL 34 H VAL 34 4.931 -3.690 10.086 255 HA VAL 34 HA VAL 34 3.354 -5.831 8.893 256 HB VAL 34 HB VAL 34 4.682 -5.454 6.877 257 HG11 VAL 34 1HG1 VAL 34 4.166 -2.826 6.805 258 HG12 VAL 34 2HG1 VAL 34 2.908 -4.058 6.693 259 HG13 VAL 34 3HG1 VAL 34 3.233 -3.265 8.235 260 HG21 VAL 34 3HG2 VAL 34 6.378 -3.971 8.761 261 HG22 VAL 34 1HG2 VAL 34 6.799 -4.803 7.264 262 HG23 VAL 34 2HG2 VAL 34 6.120 -3.177 7.208 263 H PHE 35 H PHE 35 4.072 -7.874 8.514 264 HA PHE 35 HA PHE 35 6.809 -8.539 9.361 265 HB2 PHE 35 1HB PHE 35 4.412 -10.278 9.954 266 HB3 PHE 35 2HB PHE 35 6.059 -10.479 10.544 267 HD1 PHE 35 HD1 PHE 35 6.944 -9.001 12.283 268 HD2 PHE 35 HD2 PHE 35 2.898 -8.748 10.985 269 HE1 PHE 35 HE1 PHE 35 6.383 -7.698 14.294 270 HE2 PHE 35 HE2 PHE 35 2.332 -7.444 12.993 271 HZ PHE 35 HZ PHE 35 4.075 -6.916 14.650 272 H HIS 36 H HIS 36 7.501 -10.717 8.566 273 HA HIS 36 HA HIS 36 6.150 -11.565 6.114 274 HB2 HIS 36 1HB HIS 36 7.876 -9.907 5.459 275 HB3 HIS 36 2HB HIS 36 9.102 -10.912 6.226 276 HD1 HIS 36 HD1 HIS 36 9.897 -12.981 4.957 277 HD2 HIS 36 HD2 HIS 36 6.847 -10.923 3.028 278 HE1 HIS 36 HE1 HIS 36 9.781 -13.964 2.645 279 H VAL 37 H VAL 37 6.142 -13.717 5.850 280 HA VAL 37 HA VAL 37 7.483 -15.339 7.861 281 HB VAL 37 HB VAL 37 5.156 -15.843 7.463 282 HG11 VAL 37 1HG1 VAL 37 5.100 -17.036 4.928 283 HG12 VAL 37 2HG1 VAL 37 4.294 -15.551 5.435 284 HG13 VAL 37 3HG1 VAL 37 5.902 -15.481 4.712 285 HG21 VAL 37 3HG2 VAL 37 6.200 -18.210 6.121 286 HG22 VAL 37 1HG2 VAL 37 7.192 -17.691 7.483 287 HG23 VAL 37 2HG2 VAL 37 5.480 -18.041 7.722 288 H ALA 38 H ALA 38 9.117 -16.739 7.483 289 HA ALA 38 HA ALA 38 10.218 -16.789 4.753 290 HB1 ALA 38 1HB ALA 38 12.321 -16.708 5.594 291 HB2 ALA 38 2HB ALA 38 11.487 -15.918 6.933 292 HB3 ALA 38 3HB ALA 38 11.900 -17.629 7.038 293 H ARG 39 H ARG 39 8.851 -18.702 7.240 294 HA ARG 39 HA ARG 39 9.011 -21.060 5.586 295 HB2 ARG 39 1HB ARG 39 10.728 -20.705 7.946 296 HB3 ARG 39 2HB ARG 39 9.809 -22.204 7.939 297 HG2 ARG 39 1HG ARG 39 11.619 -21.265 5.724 298 HG3 ARG 39 2HG ARG 39 12.034 -22.464 6.950 299 HD2 ARG 39 1HD ARG 39 9.922 -23.699 6.127 300 HD3 ARG 39 2HD ARG 39 10.055 -22.659 4.709 301 HE ARG 39 HE ARG 39 12.505 -23.998 5.336 302 HH11 ARG 39 1HH1 ARG 39 9.422 -24.330 3.754 303 HH12 ARG 39 2HH1 ARG 39 9.969 -25.555 2.658 304 HH21 ARG 39 1HH2 ARG 39 13.238 -25.611 3.898 305 HH22 ARG 39 2HH2 ARG 39 12.139 -26.284 2.742 306 H LYS 40 H LYS 40 7.405 -22.536 6.027 307 HA LYS 40 HA LYS 40 5.642 -21.935 8.306 308 HB2 LYS 40 1HB LYS 40 4.644 -21.037 6.250 309 HB3 LYS 40 2HB LYS 40 4.771 -22.618 5.491 310 HG2 LYS 40 1HG LYS 40 3.330 -23.401 7.512 311 HG3 LYS 40 2HG LYS 40 2.917 -21.689 7.633 312 HD2 LYS 40 1HD LYS 40 2.644 -23.314 5.108 313 HD3 LYS 40 2HD LYS 40 1.330 -23.051 6.257 314 HE2 LYS 40 1HE LYS 40 2.011 -20.523 5.913 315 HE3 LYS 40 2HE LYS 40 2.640 -21.142 4.387 316 HZ1 LYS 40 3HZ LYS 40 -0.129 -20.959 5.319 317 HZ2 LYS 40 1HZ LYS 40 0.279 -22.245 4.299 318 HZ3 LYS 40 2HZ LYS 40 0.516 -20.652 3.785 319 H GLU 41 H GLU 41 5.840 -23.629 9.624 320 HA GLU 41 HA GLU 41 6.254 -26.298 8.539 321 HB2 GLU 41 1HB GLU 41 7.339 -25.123 10.687 322 HB3 GLU 41 2HB GLU 41 5.942 -25.858 11.461 323 HG2 GLU 41 1HG GLU 41 6.700 -27.976 11.144 324 HG3 GLU 41 2HG GLU 41 7.575 -27.563 9.671 325 H GLU 42 H GLU 42 5.040 -28.077 9.891 326 HA GLU 42 HA GLU 42 2.270 -27.774 9.268 327 HB2 GLU 42 1HB GLU 42 2.030 -30.055 9.916 328 HB3 GLU 42 2HB GLU 42 3.575 -29.917 9.089 329 HG2 GLU 42 1HG GLU 42 4.750 -29.926 11.197 330 HG3 GLU 42 2HG GLU 42 3.223 -29.943 12.077 331 H GLN 43 H GLN 43 4.138 -26.986 11.964 332 HA GLN 43 HA GLN 43 1.737 -26.893 13.669 333 HB2 GLN 43 1HB GLN 43 3.764 -26.724 15.462 334 HB3 GLN 43 2HB GLN 43 2.969 -28.227 15.011 335 HG2 GLN 43 1HG GLN 43 4.720 -28.908 13.672 336 HG3 GLN 43 2HG GLN 43 5.333 -27.269 13.463 337 HE21 GLN 43 2HE2 GLN 43 5.539 -30.147 15.238 338 HE22 GLN 43 1HE2 GLN 43 6.680 -29.620 16.423 339 H TRP 44 H TRP 44 4.963 -25.400 13.832 340 HA TRP 44 HA TRP 44 3.641 -22.804 14.221 341 HB2 TRP 44 1HB TRP 44 6.460 -23.655 14.921 342 HB3 TRP 44 2HB TRP 44 5.754 -22.075 15.252 343 HD1 TRP 44 HD1 TRP 44 2.885 -23.439 16.235 344 HE1 TRP 44 HE1 TRP 44 2.821 -24.397 18.623 345 HE3 TRP 44 HE3 TRP 44 7.906 -23.998 17.021 346 HZ2 TRP 44 HZ2 TRP 44 4.655 -25.273 20.581 347 HZ3 TRP 44 HZ3 TRP 44 8.668 -24.902 19.179 348 HH2 TRP 44 HH2 TRP 44 7.075 -25.525 20.921 349 H TRP 45 H TRP 45 4.590 -20.913 13.232 350 HA TRP 45 HA TRP 45 5.961 -21.540 10.698 351 HB2 TRP 45 1HB TRP 45 4.067 -19.240 11.226 352 HB3 TRP 45 2HB TRP 45 4.804 -19.662 9.683 353 HD1 TRP 45 HD1 TRP 45 4.146 -22.911 10.273 354 HE1 TRP 45 HE1 TRP 45 1.754 -23.691 9.729 355 HE3 TRP 45 HE3 TRP 45 1.794 -18.372 10.270 356 HZ2 TRP 45 HZ2 TRP 45 -0.793 -22.535 9.348 357 HZ3 TRP 45 HZ3 TRP 45 -0.621 -18.296 9.807 358 HH2 TRP 45 HH2 TRP 45 -1.886 -20.335 9.355 359 H TRP 46 H TRP 46 7.759 -20.413 10.168 360 HA TRP 46 HA TRP 46 8.984 -18.820 12.239 361 HB2 TRP 46 1HB TRP 46 9.898 -19.853 9.565 362 HB3 TRP 46 2HB TRP 46 10.858 -18.680 10.463 363 HD1 TRP 46 HD1 TRP 46 9.022 -21.841 11.776 364 HE1 TRP 46 HE1 TRP 46 10.747 -23.295 13.015 365 HE3 TRP 46 HE3 TRP 46 13.213 -19.043 10.912 366 HZ2 TRP 46 HZ2 TRP 46 13.518 -23.261 13.554 367 HZ3 TRP 46 HZ3 TRP 46 15.361 -19.823 11.825 368 HH2 TRP 46 HH2 TRP 46 15.508 -21.888 13.118 369 H ALA 47 H ALA 47 8.633 -16.717 12.440 370 HA ALA 47 HA ALA 47 8.142 -15.133 10.002 371 HB1 ALA 47 1HB ALA 47 6.935 -13.570 11.694 372 HB2 ALA 47 2HB ALA 47 6.110 -15.007 11.089 373 HB3 ALA 47 3HB ALA 47 6.846 -15.022 12.692 374 H THR 48 H THR 48 8.930 -12.957 10.004 375 HA THR 48 HA THR 48 11.137 -12.499 11.904 376 HB THR 48 HB THR 48 11.220 -11.431 9.101 377 HG1 THR 48 HG1 THR 48 11.647 -13.353 8.339 378 HG21 THR 48 3HG2 THR 48 13.712 -11.763 9.593 379 HG22 THR 48 1HG2 THR 48 13.221 -12.015 11.267 380 HG23 THR 48 2HG2 THR 48 12.878 -10.480 10.469 381 H LEU 49 H LEU 49 11.286 -10.517 12.819 382 HA LEU 49 HA LEU 49 9.084 -8.674 12.343 383 HB2 LEU 49 1HB LEU 49 10.379 -9.503 14.613 384 HB3 LEU 49 2HB LEU 49 11.088 -7.915 14.331 385 HG LEU 49 HG LEU 49 8.155 -8.524 14.697 386 HD11 LEU 49 1HD1 LEU 49 9.996 -8.431 16.641 387 HD12 LEU 49 2HD1 LEU 49 8.341 -7.860 16.847 388 HD13 LEU 49 3HD1 LEU 49 9.633 -6.711 16.499 389 HD21 LEU 49 3HD2 LEU 49 8.439 -5.828 14.927 390 HD22 LEU 49 1HD2 LEU 49 7.889 -6.663 13.474 391 HD23 LEU 49 2HD2 LEU 49 9.582 -6.194 13.634 392 H LEU 50 H LEU 50 9.309 -7.114 10.893 393 HA LEU 50 HA LEU 50 11.989 -5.986 10.434 394 HB2 LEU 50 1HB LEU 50 9.853 -5.433 8.485 395 HB3 LEU 50 2HB LEU 50 11.553 -5.820 8.227 396 HG LEU 50 HG LEU 50 9.382 -7.817 8.865 397 HD11 LEU 50 1HD1 LEU 50 9.254 -6.741 6.606 398 HD12 LEU 50 2HD1 LEU 50 9.494 -8.488 6.587 399 HD13 LEU 50 3HD1 LEU 50 10.852 -7.408 6.270 400 HD21 LEU 50 3HD2 LEU 50 10.989 -9.501 8.631 401 HD22 LEU 50 1HD2 LEU 50 11.778 -8.279 9.629 402 HD23 LEU 50 2HD2 LEU 50 12.168 -8.402 7.913 403 H ASP 51 H ASP 51 12.045 -3.675 9.841 404 HA ASP 51 HA ASP 51 10.473 -2.143 11.709 405 HB2 ASP 51 1HB ASP 51 13.000 -1.865 10.906 406 HB3 ASP 51 2HB ASP 51 12.241 -0.805 9.721 407 H GLU 52 H GLU 52 9.834 0.174 10.743 408 HA GLU 52 HA GLU 52 7.537 -0.234 9.207 409 HB2 GLU 52 1HB GLU 52 7.449 2.225 9.011 410 HB3 GLU 52 2HB GLU 52 7.771 1.696 10.657 411 HG2 GLU 52 1HG GLU 52 10.155 2.166 10.329 412 HG3 GLU 52 2HG GLU 52 9.805 2.735 8.698 413 H ALA 53 H ALA 53 10.824 0.379 8.272 414 HA ALA 53 HA ALA 53 10.167 1.083 5.549 415 HB1 ALA 53 1HB ALA 53 12.371 1.469 7.176 416 HB2 ALA 53 2HB ALA 53 12.920 0.286 5.988 417 HB3 ALA 53 3HB ALA 53 12.262 1.832 5.454 418 H GLY 54 H GLY 54 10.635 -1.797 7.333 419 HA2 GLY 54 1HA GLY 54 9.939 -3.881 6.320 420 HA3 GLY 54 2HA GLY 54 10.649 -3.325 4.811 421 H GLY 55 H GLY 55 12.902 -2.320 6.792 422 HA2 GLY 55 1HA GLY 55 14.696 -4.437 6.214 423 HA3 GLY 55 2HA GLY 55 15.021 -3.069 7.268 424 H ALA 56 H ALA 56 14.657 -6.373 7.141 425 HA ALA 56 HA ALA 56 13.368 -7.081 9.487 426 HB1 ALA 56 1HB ALA 56 14.218 -8.630 7.708 427 HB2 ALA 56 2HB ALA 56 15.824 -8.458 8.418 428 HB3 ALA 56 3HB ALA 56 14.513 -9.164 9.363 429 H VAL 57 H VAL 57 13.866 -7.076 11.609 430 HA VAL 57 HA VAL 57 16.542 -6.104 12.377 431 HB VAL 57 HB VAL 57 15.189 -5.276 14.483 432 HG11 VAL 57 1HG1 VAL 57 15.177 -3.089 13.572 433 HG12 VAL 57 2HG1 VAL 57 16.516 -3.942 12.800 434 HG13 VAL 57 3HG1 VAL 57 15.002 -3.700 11.927 435 HG21 VAL 57 3HG2 VAL 57 13.101 -5.178 12.307 436 HG22 VAL 57 1HG2 VAL 57 13.049 -6.211 13.736 437 HG23 VAL 57 2HG2 VAL 57 12.967 -4.458 13.911 438 H ALA 58 H ALA 58 13.724 -7.994 13.410 439 HA ALA 58 HA ALA 58 15.546 -9.712 14.952 440 HB1 ALA 58 1HB ALA 58 14.343 -8.185 16.482 441 HB2 ALA 58 2HB ALA 58 12.817 -8.854 15.904 442 HB3 ALA 58 3HB ALA 58 13.963 -9.885 16.760 443 H GLN 59 H GLN 59 14.388 -11.816 15.572 444 HA GLN 59 HA GLN 59 12.535 -12.660 13.454 445 HB2 GLN 59 1HB GLN 59 14.818 -14.390 14.390 446 HB3 GLN 59 2HB GLN 59 13.760 -14.647 13.009 447 HG2 GLN 59 1HG GLN 59 14.854 -12.242 12.394 448 HG3 GLN 59 2HG GLN 59 16.181 -13.019 13.256 449 HE21 GLN 59 2HE2 GLN 59 17.128 -14.861 12.398 450 HE22 GLN 59 1HE2 GLN 59 16.887 -15.344 10.757 451 H GLY 60 H GLY 60 10.887 -13.919 14.120 452 HA2 GLY 60 1HA GLY 60 11.028 -15.567 16.456 453 HA3 GLY 60 2HA GLY 60 10.113 -14.096 16.749 454 H TYR 61 H TYR 61 9.370 -17.017 16.584 455 HA TYR 61 HA TYR 61 7.457 -16.943 14.366 456 HB2 TYR 61 1HB TYR 61 7.106 -19.348 14.897 457 HB3 TYR 61 2HB TYR 61 8.776 -18.967 14.495 458 HD1 TYR 61 HD1 TYR 61 6.499 -19.485 17.395 459 HD2 TYR 61 HD2 TYR 61 10.499 -19.578 15.947 460 HE1 TYR 61 HE1 TYR 61 7.233 -20.513 19.505 461 HE2 TYR 61 HE2 TYR 61 11.244 -20.607 18.053 462 HH TYR 61 HH TYR 61 8.933 -21.515 20.572 463 H VAL 62 H VAL 62 5.239 -17.660 14.766 464 HA VAL 62 HA VAL 62 4.246 -17.472 17.484 465 HB VAL 62 HB VAL 62 2.513 -15.742 16.734 466 HG11 VAL 62 1HG1 VAL 62 3.759 -14.031 17.660 467 HG12 VAL 62 2HG1 VAL 62 4.614 -15.461 18.243 468 HG13 VAL 62 3HG1 VAL 62 5.249 -14.549 16.873 469 HG21 VAL 62 3HG2 VAL 62 4.623 -14.903 14.774 470 HG22 VAL 62 1HG2 VAL 62 3.307 -15.978 14.300 471 HG23 VAL 62 2HG2 VAL 62 2.950 -14.360 14.905 472 HA PRO 63 HA PRO 63 1.200 -20.261 15.997 473 HB2 PRO 63 1HB PRO 63 -0.916 -19.646 17.584 474 HB3 PRO 63 2HB PRO 63 0.515 -20.497 18.178 475 HG2 PRO 63 1HG PRO 63 -0.196 -17.598 18.406 476 HG3 PRO 63 2HG PRO 63 0.491 -18.681 19.630 477 HD2 PRO 63 1HD PRO 63 1.999 -16.920 18.232 478 HD3 PRO 63 2HD PRO 63 2.627 -18.485 18.786 479 H HIS 64 H HIS 64 -0.438 -20.409 14.520 480 HA HIS 64 HA HIS 64 -1.053 -18.238 12.896 481 HB2 HIS 64 1HB HIS 64 -1.284 -20.522 12.106 482 HB3 HIS 64 2HB HIS 64 -2.565 -20.831 13.275 483 HD1 HIS 64 HD1 HIS 64 -2.235 -17.889 10.894 484 HD2 HIS 64 HD2 HIS 64 -4.746 -21.104 11.681 485 HE1 HIS 64 HE1 HIS 64 -4.208 -17.591 9.364 486 H ASN 65 H ASN 65 -2.518 -19.301 15.846 487 HA ASN 65 HA ASN 65 -5.032 -18.041 15.560 488 HB2 ASN 65 1HB ASN 65 -4.799 -19.712 17.250 489 HB3 ASN 65 2HB ASN 65 -3.442 -18.868 17.990 490 HD21 ASN 65 2HD2 ASN 65 -6.683 -17.875 16.937 491 HD22 ASN 65 1HD2 ASN 65 -7.146 -17.181 18.450 492 H TYR 66 H TYR 66 -1.892 -16.822 16.168 493 HA TYR 66 HA TYR 66 -2.935 -14.297 17.226 494 HB2 TYR 66 1HB TYR 66 -0.745 -15.725 17.972 495 HB3 TYR 66 2HB TYR 66 -0.024 -14.592 16.834 496 HD1 TYR 66 HD2 TYR 66 -2.519 -14.495 19.624 497 HD2 TYR 66 HD1 TYR 66 0.833 -12.665 17.750 498 HE1 TYR 66 HE2 TYR 66 -2.494 -12.765 21.372 499 HE2 TYR 66 HE1 TYR 66 0.868 -10.930 19.493 500 HH TYR 66 HH TYR 66 -1.517 -10.926 22.128 501 H LEU 67 H LEU 67 -0.626 -15.388 14.735 502 HA LEU 67 HA LEU 67 -0.964 -12.860 13.322 503 HB2 LEU 67 1HB LEU 67 1.214 -14.430 13.738 504 HB3 LEU 67 2HB LEU 67 0.722 -14.947 12.126 505 HG LEU 67 HG LEU 67 2.395 -13.245 11.916 506 HD11 LEU 67 1HD1 LEU 67 -0.143 -11.773 11.340 507 HD12 LEU 67 2HD1 LEU 67 0.252 -13.253 10.467 508 HD13 LEU 67 3HD1 LEU 67 1.339 -11.867 10.388 509 HD21 LEU 67 3HD2 LEU 67 1.120 -12.146 14.204 510 HD22 LEU 67 1HD2 LEU 67 1.092 -10.936 12.921 511 HD23 LEU 67 2HD2 LEU 67 2.625 -11.644 13.432 512 H ALA 68 H ALA 68 -1.881 -12.646 11.325 513 HA ALA 68 HA ALA 68 -2.766 -15.002 9.869 514 HB1 ALA 68 1HB ALA 68 -5.005 -14.759 10.105 515 HB2 ALA 68 2HB ALA 68 -4.521 -14.060 11.651 516 HB3 ALA 68 3HB ALA 68 -4.908 -13.007 10.290 517 H GLU 69 H GLU 69 -3.190 -14.618 7.691 518 HA GLU 69 HA GLU 69 -1.826 -12.422 6.537 519 HB2 GLU 69 1HB GLU 69 -2.398 -13.349 4.434 520 HB3 GLU 69 2HB GLU 69 -2.159 -14.715 5.515 521 HG2 GLU 69 1HG GLU 69 -4.710 -14.605 5.857 522 HG3 GLU 69 2HG GLU 69 -4.705 -13.629 4.389 523 H ARG 70 H ARG 70 -2.748 -10.847 5.038 524 HA ARG 70 HA ARG 70 -5.514 -10.093 5.700 525 HB2 ARG 70 1HB ARG 70 -3.023 -8.457 5.873 526 HB3 ARG 70 2HB ARG 70 -4.514 -7.664 5.382 527 HG2 ARG 70 1HG ARG 70 -5.375 -9.005 7.557 528 HG3 ARG 70 2HG ARG 70 -3.696 -8.700 8.006 529 HD2 ARG 70 1HD ARG 70 -3.970 -6.350 7.739 530 HD3 ARG 70 2HD ARG 70 -5.553 -6.560 6.991 531 HE ARG 70 HE ARG 70 -4.948 -6.563 9.803 532 HH11 ARG 70 1HH1 ARG 70 -7.190 -7.593 7.347 533 HH12 ARG 70 2HH1 ARG 70 -8.531 -7.715 8.438 534 HH21 ARG 70 1HH2 ARG 70 -6.705 -6.719 11.249 535 HH22 ARG 70 2HH2 ARG 70 -8.254 -7.217 10.657 536 H GLU 71 H GLU 71 -5.597 -11.386 3.574 537 HA GLU 71 HA GLU 71 -4.652 -10.244 1.177 538 HB2 GLU 71 1HB GLU 71 -6.909 -12.161 1.748 539 HB3 GLU 71 2HB GLU 71 -6.462 -11.677 0.118 540 HG2 GLU 71 1HG GLU 71 -4.323 -12.676 0.312 541 HG3 GLU 71 2HG GLU 71 -4.526 -12.925 2.045 542 H THR 72 H THR 72 -5.375 -8.614 -0.035 543 HA THR 72 HA THR 72 -7.625 -7.060 0.901 544 HB THR 72 HB THR 72 -6.966 -5.660 -1.213 545 HG1 THR 72 HG1 THR 72 -4.487 -6.958 -0.787 546 HG21 THR 72 3HG2 THR 72 -4.887 -4.835 0.175 547 HG22 THR 72 1HG2 THR 72 -5.536 -5.934 1.391 548 HG23 THR 72 2HG2 THR 72 -6.526 -4.606 0.784 Start of MODEL 11 1 H1 MET 1 H MET 1 16.258 -14.799 -8.834 2 HA MET 1 HA MET 1 16.333 -12.114 -7.626 3 HB2 MET 1 1HB MET 1 18.409 -13.138 -8.802 4 HB3 MET 1 2HB MET 1 17.541 -12.788 -10.291 5 HG2 MET 1 1HG MET 1 17.842 -10.615 -8.290 6 HG3 MET 1 2HG MET 1 19.247 -11.082 -9.245 7 HE1 MET 1 3HE MET 1 17.604 -8.488 -8.820 8 HE2 MET 1 1HE MET 1 18.617 -7.987 -10.174 9 HE3 MET 1 2HE MET 1 16.864 -7.823 -10.277 10 H VAL 2 H VAL 2 15.109 -14.039 -10.302 11 HA VAL 2 HA VAL 2 13.646 -11.778 -11.402 12 HB VAL 2 HB VAL 2 13.653 -14.668 -12.284 13 HG11 VAL 2 1HG1 VAL 2 12.382 -12.186 -13.355 14 HG12 VAL 2 2HG1 VAL 2 12.888 -13.461 -14.464 15 HG13 VAL 2 3HG1 VAL 2 11.714 -13.810 -13.194 16 HG21 VAL 2 3HG2 VAL 2 15.207 -12.294 -13.310 17 HG22 VAL 2 1HG2 VAL 2 15.864 -13.716 -12.500 18 HG23 VAL 2 2HG2 VAL 2 15.132 -13.870 -14.097 19 H SER 3 H SER 3 12.992 -14.855 -9.782 20 HA SER 3 HA SER 3 10.150 -14.147 -9.613 21 HB2 SER 3 1HB SER 3 11.609 -16.756 -9.165 22 HB3 SER 3 2HB SER 3 9.896 -16.531 -8.810 23 HG SER 3 HG SER 3 11.105 -16.110 -11.344 24 H ARG 4 H ARG 4 11.627 -12.552 -8.039 25 HA ARG 4 HA ARG 4 11.909 -13.641 -5.385 26 HB2 ARG 4 1HB ARG 4 12.542 -11.358 -4.749 27 HB3 ARG 4 2HB ARG 4 13.436 -11.901 -6.164 28 HG2 ARG 4 1HG ARG 4 11.963 -10.611 -7.609 29 HG3 ARG 4 2HG ARG 4 11.030 -10.090 -6.204 30 HD2 ARG 4 1HD ARG 4 12.728 -8.726 -5.421 31 HD3 ARG 4 2HD ARG 4 13.977 -9.605 -6.301 32 HE ARG 4 HE ARG 4 12.248 -8.416 -8.155 33 HH11 ARG 4 1HH1 ARG 4 14.617 -7.516 -5.768 34 HH12 ARG 4 2HH1 ARG 4 15.078 -6.059 -6.586 35 HH21 ARG 4 1HH2 ARG 4 12.846 -6.501 -9.240 36 HH22 ARG 4 2HH2 ARG 4 14.069 -5.483 -8.560 37 H ASP 5 H ASP 5 9.481 -11.966 -7.201 38 HA ASP 5 HA ASP 5 7.971 -10.868 -5.106 39 HB2 ASP 5 1HB ASP 5 7.342 -11.713 -7.914 40 HB3 ASP 5 2HB ASP 5 6.038 -11.224 -6.835 41 H GLN 6 H GLN 6 5.779 -11.622 -4.440 42 HA GLN 6 HA GLN 6 5.906 -14.477 -3.786 43 HB2 GLN 6 1HB GLN 6 4.682 -12.088 -2.483 44 HB3 GLN 6 2HB GLN 6 3.944 -13.660 -2.205 45 HG2 GLN 6 1HG GLN 6 5.673 -12.854 -0.525 46 HG3 GLN 6 2HG GLN 6 5.839 -14.497 -1.141 47 HE21 GLN 6 2HE2 GLN 6 7.522 -14.985 -2.548 48 HE22 GLN 6 1HE2 GLN 6 8.890 -13.947 -2.740 49 H ALA 7 H ALA 7 5.172 -15.008 -5.973 50 HA ALA 7 HA ALA 7 2.542 -14.257 -6.819 51 HB1 ALA 7 1HB ALA 7 3.863 -14.742 -8.628 52 HB2 ALA 7 2HB ALA 7 4.651 -16.102 -7.829 53 HB3 ALA 7 3HB ALA 7 3.005 -16.271 -8.437 54 H HIS 8 H HIS 8 3.867 -16.760 -4.841 55 HA HIS 8 HA HIS 8 1.276 -18.161 -4.842 56 HB2 HIS 8 1HB HIS 8 2.657 -20.033 -3.751 57 HB3 HIS 8 2HB HIS 8 2.904 -19.738 -5.470 58 HD1 HIS 8 HD1 HIS 8 4.481 -18.027 -2.457 59 HD2 HIS 8 HD2 HIS 8 5.545 -20.168 -5.855 60 HE1 HIS 8 HE1 HIS 8 6.995 -18.019 -2.496 61 H LEU 9 H LEU 9 3.424 -16.256 -2.999 62 HA LEU 9 HA LEU 9 2.025 -16.966 -0.508 63 HB2 LEU 9 1HB LEU 9 4.782 -16.365 -1.135 64 HB3 LEU 9 2HB LEU 9 4.167 -15.301 0.129 65 HG LEU 9 HG LEU 9 3.406 -17.457 1.300 66 HD11 LEU 9 1HD1 LEU 9 5.490 -18.651 -0.518 67 HD12 LEU 9 2HD1 LEU 9 3.753 -18.888 -0.707 68 HD13 LEU 9 3HD1 LEU 9 4.569 -19.470 0.743 69 HD21 LEU 9 3HD2 LEU 9 5.211 -16.081 2.134 70 HD22 LEU 9 1HD2 LEU 9 6.332 -16.799 0.978 71 HD23 LEU 9 2HD2 LEU 9 5.650 -17.784 2.272 72 H GLY 10 H GLY 10 2.130 -14.924 1.064 73 HA2 GLY 10 1HA GLY 10 0.704 -12.810 -0.390 74 HA3 GLY 10 2HA GLY 10 0.610 -13.115 1.338 75 HA PRO 11 HA PRO 11 3.685 -9.660 0.220 76 HB2 PRO 11 1HB PRO 11 2.189 -7.538 1.016 77 HB3 PRO 11 2HB PRO 11 2.166 -8.164 -0.637 78 HG2 PRO 11 1HG PRO 11 0.233 -8.645 1.598 79 HG3 PRO 11 2HG PRO 11 -0.095 -8.316 -0.114 80 HD2 PRO 11 1HD PRO 11 -0.183 -10.812 0.934 81 HD3 PRO 11 2HD PRO 11 0.316 -10.496 -0.740 82 H LYS 12 H LYS 12 1.592 -8.340 2.679 83 HA LYS 12 HA LYS 12 3.648 -8.945 4.702 84 HB2 LYS 12 1HB LYS 12 2.067 -6.495 4.115 85 HB3 LYS 12 2HB LYS 12 2.400 -6.851 5.805 86 HG2 LYS 12 1HG LYS 12 4.082 -5.366 4.933 87 HG3 LYS 12 2HG LYS 12 4.804 -6.937 5.292 88 HD2 LYS 12 1HD LYS 12 4.710 -7.542 2.939 89 HD3 LYS 12 2HD LYS 12 3.914 -6.013 2.559 90 HE2 LYS 12 1HE LYS 12 5.941 -4.854 3.498 91 HE3 LYS 12 2HE LYS 12 6.721 -6.433 3.568 92 HZ1 LYS 12 3HZ LYS 12 6.175 -4.743 1.285 93 HZ2 LYS 12 1HZ LYS 12 5.834 -6.383 1.044 94 HZ3 LYS 12 2HZ LYS 12 7.387 -5.901 1.510 95 H TYR 13 H TYR 13 2.847 -9.097 6.943 96 HA TYR 13 HA TYR 13 0.104 -10.165 7.063 97 HB2 TYR 13 1HB TYR 13 2.625 -11.262 8.303 98 HB3 TYR 13 2HB TYR 13 1.020 -11.730 8.853 99 HD1 TYR 13 HD1 TYR 13 3.043 -11.531 5.719 100 HD2 TYR 13 HD2 TYR 13 0.005 -13.573 7.888 101 HE1 TYR 13 HE1 TYR 13 2.947 -13.246 3.958 102 HE2 TYR 13 HE2 TYR 13 -0.099 -15.294 6.134 103 HH TYR 13 HH TYR 13 0.472 -15.694 3.912 104 H VAL 14 H VAL 14 -0.991 -9.937 9.070 105 HA VAL 14 HA VAL 14 0.226 -8.143 11.037 106 HB VAL 14 HB VAL 14 -2.377 -7.608 9.611 107 HG11 VAL 14 1HG1 VAL 14 -2.612 -5.695 11.200 108 HG12 VAL 14 2HG1 VAL 14 -2.825 -7.284 11.937 109 HG13 VAL 14 3HG1 VAL 14 -1.313 -6.404 12.159 110 HG21 VAL 14 3HG2 VAL 14 -0.103 -5.704 10.070 111 HG22 VAL 14 1HG2 VAL 14 -0.123 -6.809 8.696 112 HG23 VAL 14 2HG2 VAL 14 -1.402 -5.608 8.881 113 H GLY 15 H GLY 15 -0.484 -8.437 13.117 114 HA2 GLY 15 1HA GLY 15 -2.645 -9.285 14.314 115 HA3 GLY 15 2HA GLY 15 -2.184 -10.790 13.534 116 H LEU 16 H LEU 16 -0.568 -8.232 15.425 117 HA LEU 16 HA LEU 16 0.397 -10.291 17.268 118 HB2 LEU 16 1HB LEU 16 2.144 -8.252 15.899 119 HB3 LEU 16 2HB LEU 16 2.653 -9.264 17.249 120 HG LEU 16 HG LEU 16 1.840 -10.264 14.520 121 HD11 LEU 16 1HD1 LEU 16 3.934 -9.124 14.350 122 HD12 LEU 16 2HD1 LEU 16 4.253 -10.858 14.350 123 HD13 LEU 16 3HD1 LEU 16 4.540 -9.909 15.809 124 HD21 LEU 16 3HD2 LEU 16 2.564 -12.423 15.279 125 HD22 LEU 16 1HD2 LEU 16 1.360 -11.805 16.410 126 HD23 LEU 16 2HD2 LEU 16 3.072 -11.757 16.832 127 H TRP 17 H TRP 17 -1.311 -9.273 18.551 128 HA TRP 17 HA TRP 17 -1.504 -6.654 19.319 129 HB2 TRP 17 1HB TRP 17 -2.898 -8.722 20.037 130 HB3 TRP 17 2HB TRP 17 -1.750 -8.840 21.368 131 HD1 TRP 17 HD1 TRP 17 -2.167 -7.318 23.418 132 HE1 TRP 17 HE1 TRP 17 -3.865 -5.469 23.987 133 HE3 TRP 17 HE3 TRP 17 -4.294 -6.723 18.807 134 HZ2 TRP 17 HZ2 TRP 17 -5.845 -3.959 22.657 135 HZ3 TRP 17 HZ3 TRP 17 -6.084 -5.056 18.540 136 HH2 TRP 17 HH2 TRP 17 -6.842 -3.704 20.427 137 H ASP 18 H ASP 18 -0.860 -5.620 21.388 138 HA ASP 18 HA ASP 18 1.866 -5.315 21.617 139 HB2 ASP 18 1HB ASP 18 -0.438 -4.334 22.958 140 HB3 ASP 18 2HB ASP 18 0.710 -4.845 24.192 141 H PHE 19 H PHE 19 3.185 -7.026 21.883 142 HA PHE 19 HA PHE 19 3.091 -8.403 24.443 143 HB2 PHE 19 1HB PHE 19 1.840 -9.686 22.489 144 HB3 PHE 19 2HB PHE 19 3.482 -10.147 22.052 145 HD1 PHE 19 HD2 PHE 19 4.866 -10.709 24.422 146 HD2 PHE 19 HD1 PHE 19 0.744 -11.363 23.587 147 HE1 PHE 19 HE2 PHE 19 4.812 -12.498 26.109 148 HE2 PHE 19 HE1 PHE 19 0.683 -13.153 25.274 149 HZ PHE 19 HZ PHE 19 2.719 -13.724 26.537 150 H LYS 20 H LYS 20 5.059 -8.296 25.272 151 HA LYS 20 HA LYS 20 7.367 -8.354 23.438 152 HB2 LYS 20 1HB LYS 20 7.292 -6.941 26.104 153 HB3 LYS 20 2HB LYS 20 8.539 -6.834 24.869 154 HG2 LYS 20 1HG LYS 20 5.721 -5.795 24.654 155 HG3 LYS 20 2HG LYS 20 7.184 -4.833 24.878 156 HD2 LYS 20 1HD LYS 20 7.697 -6.412 22.639 157 HD3 LYS 20 2HD LYS 20 6.023 -5.886 22.449 158 HE2 LYS 20 1HE LYS 20 8.438 -4.134 22.887 159 HE3 LYS 20 2HE LYS 20 7.496 -4.284 21.405 160 HZ1 LYS 20 3HZ LYS 20 5.573 -3.571 23.034 161 HZ2 LYS 20 1HZ LYS 20 6.558 -2.426 22.272 162 HZ3 LYS 20 2HZ LYS 20 6.857 -2.864 23.878 163 H SER 21 H SER 21 8.021 -10.433 23.597 164 HA SER 21 HA SER 21 8.276 -11.639 26.254 165 HB2 SER 21 1HB SER 21 8.547 -12.891 23.510 166 HB3 SER 21 2HB SER 21 8.613 -13.758 25.044 167 HG SER 21 HG SER 21 6.518 -13.743 25.100 168 H ARG 22 H ARG 22 10.145 -10.351 23.648 169 HA ARG 22 HA ARG 22 12.377 -10.059 23.325 170 HB2 ARG 22 1HB ARG 22 12.747 -10.575 26.268 171 HB3 ARG 22 2HB ARG 22 13.689 -9.527 25.216 172 HG2 ARG 22 1HG ARG 22 10.826 -9.047 26.015 173 HG3 ARG 22 2HG ARG 22 12.234 -8.282 26.755 174 HD2 ARG 22 1HD ARG 22 11.229 -7.987 23.934 175 HD3 ARG 22 2HD ARG 22 11.361 -6.741 25.174 176 HE ARG 22 HE ARG 22 13.459 -7.716 23.458 177 HH11 ARG 22 1HH1 ARG 22 12.699 -6.101 26.448 178 HH12 ARG 22 2HH1 ARG 22 14.232 -5.300 26.556 179 HH21 ARG 22 1HH2 ARG 22 15.480 -6.667 23.590 180 HH22 ARG 22 2HH2 ARG 22 15.813 -5.622 24.929 181 H THR 23 H THR 23 11.194 -12.806 23.334 182 HA THR 23 HA THR 23 13.674 -14.329 23.809 183 HB THR 23 HB THR 23 12.245 -16.347 24.022 184 HG1 THR 23 HG1 THR 23 9.963 -15.935 24.355 185 HG21 THR 23 3HG2 THR 23 12.454 -15.922 26.198 186 HG22 THR 23 1HG2 THR 23 10.954 -14.998 26.136 187 HG23 THR 23 2HG2 THR 23 12.500 -14.187 25.888 188 H ASP 24 H ASP 24 13.796 -16.340 22.391 189 HA ASP 24 HA ASP 24 13.692 -15.509 19.661 190 HB2 ASP 24 1HB ASP 24 14.476 -17.899 19.247 191 HB3 ASP 24 2HB ASP 24 15.520 -16.895 20.249 192 H GLU 25 H GLU 25 11.524 -17.130 21.747 193 HA GLU 25 HA GLU 25 10.104 -18.574 19.708 194 HB2 GLU 25 1HB GLU 25 9.057 -17.866 22.444 195 HB3 GLU 25 2HB GLU 25 8.596 -19.222 21.425 196 HG2 GLU 25 1HG GLU 25 11.184 -19.785 21.712 197 HG3 GLU 25 2HG GLU 25 10.926 -18.893 23.210 198 H GLU 26 H GLU 26 9.230 -15.799 21.778 199 HA GLU 26 HA GLU 26 7.226 -15.027 19.776 200 HB2 GLU 26 1HB GLU 26 7.499 -14.604 22.714 201 HB3 GLU 26 2HB GLU 26 6.652 -13.379 21.779 202 HG2 GLU 26 1HG GLU 26 5.248 -15.287 20.853 203 HG3 GLU 26 2HG GLU 26 5.939 -16.267 22.144 204 H LEU 27 H LEU 27 7.005 -12.768 19.216 205 HA LEU 27 HA LEU 27 9.615 -11.461 19.033 206 HB2 LEU 27 1HB LEU 27 7.039 -10.831 17.601 207 HB3 LEU 27 2HB LEU 27 8.613 -10.107 17.279 208 HG LEU 27 HG LEU 27 9.262 -12.647 16.836 209 HD11 LEU 27 1HD1 LEU 27 6.578 -12.935 17.309 210 HD12 LEU 27 2HD1 LEU 27 7.594 -14.072 16.423 211 HD13 LEU 27 3HD1 LEU 27 6.655 -12.862 15.549 212 HD21 LEU 27 3HD2 LEU 27 7.726 -11.226 14.696 213 HD22 LEU 27 1HD2 LEU 27 9.227 -12.146 14.575 214 HD23 LEU 27 2HD2 LEU 27 9.230 -10.547 15.320 215 H SER 28 H SER 28 9.865 -9.216 19.471 216 HA SER 28 HA SER 28 8.036 -8.267 21.563 217 HB2 SER 28 1HB SER 28 9.876 -6.838 22.304 218 HB3 SER 28 2HB SER 28 10.417 -8.513 22.189 219 HG SER 28 HG SER 28 11.037 -6.320 20.551 220 H PHE 29 H PHE 29 6.459 -7.457 20.108 221 HA PHE 29 HA PHE 29 6.962 -4.747 19.292 222 HB2 PHE 29 1HB PHE 29 6.955 -6.930 17.326 223 HB3 PHE 29 2HB PHE 29 5.857 -5.610 16.937 224 HD1 PHE 29 HD1 PHE 29 6.861 -3.219 17.063 225 HD2 PHE 29 HD2 PHE 29 9.179 -6.774 16.738 226 HE1 PHE 29 HE1 PHE 29 8.749 -1.905 16.187 227 HE2 PHE 29 HE2 PHE 29 11.070 -5.466 15.864 228 HZ PHE 29 HZ PHE 29 10.857 -3.028 15.588 229 H ARG 30 H ARG 30 4.972 -3.698 18.453 230 HA ARG 30 HA ARG 30 2.649 -4.777 19.858 231 HB2 ARG 30 1HB ARG 30 1.749 -2.584 19.818 232 HB3 ARG 30 2HB ARG 30 3.456 -2.402 20.197 233 HG2 ARG 30 1HG ARG 30 3.925 -1.765 17.905 234 HG3 ARG 30 2HG ARG 30 2.231 -2.013 17.475 235 HD2 ARG 30 1HD ARG 30 1.647 -0.277 19.193 236 HD3 ARG 30 2HD ARG 30 3.371 0.055 19.344 237 HE ARG 30 HE ARG 30 2.787 0.252 16.656 238 HH11 ARG 30 1HH1 ARG 30 1.781 1.815 19.599 239 HH12 ARG 30 2HH1 ARG 30 1.447 3.333 18.832 240 HH21 ARG 30 1HH2 ARG 30 2.353 2.244 15.635 241 HH22 ARG 30 2HH2 ARG 30 1.772 3.576 16.577 242 H ALA 31 H ALA 31 0.481 -4.350 18.785 243 HA ALA 31 HA ALA 31 0.383 -5.769 16.333 244 HB1 ALA 31 1HB ALA 31 -1.597 -6.149 17.299 245 HB2 ALA 31 2HB ALA 31 -1.532 -4.655 18.235 246 HB3 ALA 31 3HB ALA 31 -2.091 -4.624 16.563 247 H GLY 32 H GLY 32 -0.877 -4.916 14.410 248 HA2 GLY 32 1HA GLY 32 -1.319 -3.272 12.820 249 HA3 GLY 32 2HA GLY 32 -0.659 -2.069 13.918 250 H ASP 33 H ASP 33 1.612 -4.365 13.936 251 HA ASP 33 HA ASP 33 3.292 -2.904 12.092 252 HB2 ASP 33 1HB ASP 33 3.706 -4.966 14.196 253 HB3 ASP 33 2HB ASP 33 4.903 -4.878 12.906 254 H VAL 34 H VAL 34 4.492 -3.884 10.375 255 HA VAL 34 HA VAL 34 3.007 -6.067 9.086 256 HB VAL 34 HB VAL 34 3.929 -5.317 6.983 257 HG11 VAL 34 1HG1 VAL 34 3.132 -2.731 8.213 258 HG12 VAL 34 2HG1 VAL 34 2.580 -3.493 6.720 259 HG13 VAL 34 3HG1 VAL 34 1.989 -4.073 8.278 260 HG21 VAL 34 3HG2 VAL 34 5.180 -2.929 7.349 261 HG22 VAL 34 1HG2 VAL 34 5.760 -3.846 8.740 262 HG23 VAL 34 2HG2 VAL 34 6.007 -4.469 7.108 263 H PHE 35 H PHE 35 3.989 -7.928 8.454 264 HA PHE 35 HA PHE 35 6.879 -8.180 8.597 265 HB2 PHE 35 1HB PHE 35 6.536 -10.325 10.009 266 HB3 PHE 35 2HB PHE 35 6.507 -8.767 10.829 267 HD1 PHE 35 HD1 PHE 35 4.394 -7.822 11.625 268 HD2 PHE 35 HD2 PHE 35 4.583 -11.690 9.859 269 HE1 PHE 35 HE1 PHE 35 2.174 -8.347 12.546 270 HE2 PHE 35 HE2 PHE 35 2.363 -12.220 10.776 271 HZ PHE 35 HZ PHE 35 1.155 -10.548 12.121 272 H HIS 36 H HIS 36 7.599 -10.368 7.852 273 HA HIS 36 HA HIS 36 5.680 -11.492 5.918 274 HB2 HIS 36 1HB HIS 36 7.532 -10.131 4.891 275 HB3 HIS 36 2HB HIS 36 8.671 -11.314 5.526 276 HD1 HIS 36 HD1 HIS 36 5.378 -11.861 3.700 277 HD2 HIS 36 HD2 HIS 36 9.424 -12.741 3.355 278 HE1 HIS 36 HE1 HIS 36 5.574 -13.338 1.674 279 H VAL 37 H VAL 37 5.978 -13.742 5.380 280 HA VAL 37 HA VAL 37 6.841 -15.283 7.698 281 HB VAL 37 HB VAL 37 5.780 -17.205 6.509 282 HG11 VAL 37 1HG1 VAL 37 4.419 -16.178 8.107 283 HG12 VAL 37 2HG1 VAL 37 4.215 -14.721 7.131 284 HG13 VAL 37 3HG1 VAL 37 3.417 -16.221 6.657 285 HG21 VAL 37 3HG2 VAL 37 5.323 -17.077 4.340 286 HG22 VAL 37 1HG2 VAL 37 4.196 -15.757 4.650 287 HG23 VAL 37 2HG2 VAL 37 5.892 -15.408 4.314 288 H ALA 38 H ALA 38 8.678 -16.397 7.784 289 HA ALA 38 HA ALA 38 10.376 -16.499 5.417 290 HB1 ALA 38 1HB ALA 38 12.180 -16.944 6.870 291 HB2 ALA 38 2HB ALA 38 11.193 -15.730 7.686 292 HB3 ALA 38 3HB ALA 38 11.105 -17.420 8.184 293 H ARG 39 H ARG 39 8.617 -18.630 7.569 294 HA ARG 39 HA ARG 39 8.721 -20.765 5.666 295 HB2 ARG 39 1HB ARG 39 10.937 -20.948 6.850 296 HB3 ARG 39 2HB ARG 39 10.046 -21.274 8.331 297 HG2 ARG 39 1HG ARG 39 8.946 -23.174 6.952 298 HG3 ARG 39 2HG ARG 39 10.341 -22.968 5.892 299 HD2 ARG 39 1HD ARG 39 11.723 -23.134 8.069 300 HD3 ARG 39 2HD ARG 39 10.257 -23.826 8.761 301 HE ARG 39 HE ARG 39 10.834 -25.171 6.375 302 HH11 ARG 39 1HH1 ARG 39 12.131 -24.771 9.581 303 HH12 ARG 39 2HH1 ARG 39 12.879 -26.333 9.615 304 HH21 ARG 39 1HH2 ARG 39 11.814 -27.230 6.407 305 HH22 ARG 39 2HH2 ARG 39 12.699 -27.731 7.809 306 H LYS 40 H LYS 40 7.054 -22.176 5.942 307 HA LYS 40 HA LYS 40 5.413 -21.824 8.365 308 HB2 LYS 40 1HB LYS 40 3.484 -22.500 6.834 309 HB3 LYS 40 2HB LYS 40 4.153 -20.889 6.610 310 HG2 LYS 40 1HG LYS 40 5.454 -21.696 4.703 311 HG3 LYS 40 2HG LYS 40 4.771 -23.308 4.925 312 HD2 LYS 40 1HD LYS 40 3.078 -20.861 4.464 313 HD3 LYS 40 2HD LYS 40 3.683 -21.871 3.148 314 HE2 LYS 40 1HE LYS 40 2.197 -23.108 5.430 315 HE3 LYS 40 2HE LYS 40 1.313 -22.305 4.133 316 HZ1 LYS 40 3HZ LYS 40 1.504 -24.618 3.626 317 HZ2 LYS 40 1HZ LYS 40 3.180 -24.595 3.855 318 HZ3 LYS 40 2HZ LYS 40 2.493 -23.766 2.551 319 H GLU 41 H GLU 41 5.626 -23.564 9.611 320 HA GLU 41 HA GLU 41 5.812 -26.204 8.323 321 HB2 GLU 41 1HB GLU 41 7.486 -25.082 10.191 322 HB3 GLU 41 2HB GLU 41 6.422 -26.064 11.188 323 HG2 GLU 41 1HG GLU 41 7.607 -27.287 8.754 324 HG3 GLU 41 2HG GLU 41 8.637 -27.035 10.162 325 H GLU 42 H GLU 42 4.816 -28.011 9.574 326 HA GLU 42 HA GLU 42 2.076 -27.522 9.987 327 HB2 GLU 42 1HB GLU 42 1.884 -29.829 10.532 328 HB3 GLU 42 2HB GLU 42 3.132 -29.708 9.299 329 HG2 GLU 42 1HG GLU 42 4.858 -29.912 10.987 330 HG3 GLU 42 2HG GLU 42 3.635 -29.959 12.256 331 H GLN 43 H GLN 43 4.801 -27.670 12.174 332 HA GLN 43 HA GLN 43 3.198 -27.731 14.557 333 HB2 GLN 43 1HB GLN 43 6.135 -27.203 14.095 334 HB3 GLN 43 2HB GLN 43 5.394 -27.243 15.690 335 HG2 GLN 43 1HG GLN 43 4.546 -29.599 14.815 336 HG3 GLN 43 2HG GLN 43 5.991 -29.454 13.815 337 HE21 GLN 43 2HE2 GLN 43 4.764 -30.284 16.836 338 HE22 GLN 43 1HE2 GLN 43 6.262 -30.468 17.676 339 H TRP 44 H TRP 44 5.637 -25.307 13.652 340 HA TRP 44 HA TRP 44 3.703 -23.203 14.352 341 HB2 TRP 44 1HB TRP 44 6.629 -23.097 15.095 342 HB3 TRP 44 2HB TRP 44 5.350 -21.993 15.596 343 HD1 TRP 44 HD1 TRP 44 6.849 -25.401 16.397 344 HE1 TRP 44 HE1 TRP 44 5.864 -26.242 18.621 345 HE3 TRP 44 HE3 TRP 44 3.236 -21.849 17.079 346 HZ2 TRP 44 HZ2 TRP 44 3.824 -25.499 20.426 347 HZ3 TRP 44 HZ3 TRP 44 1.810 -21.986 19.080 348 HH2 TRP 44 HH2 TRP 44 2.099 -23.775 20.717 349 H TRP 45 H TRP 45 4.148 -21.116 13.404 350 HA TRP 45 HA TRP 45 5.561 -21.374 10.840 351 HB2 TRP 45 1HB TRP 45 3.254 -19.662 11.737 352 HB3 TRP 45 2HB TRP 45 4.182 -19.261 10.294 353 HD1 TRP 45 HD1 TRP 45 3.487 -22.924 11.077 354 HE1 TRP 45 HE1 TRP 45 1.858 -23.857 9.316 355 HE3 TRP 45 HE3 TRP 45 2.267 -18.561 8.709 356 HZ2 TRP 45 HZ2 TRP 45 0.267 -22.874 7.202 357 HZ3 TRP 45 HZ3 TRP 45 0.685 -18.644 6.826 358 HH2 TRP 45 HH2 TRP 45 -0.293 -20.756 6.090 359 H TRP 46 H TRP 46 7.260 -20.110 10.358 360 HA TRP 46 HA TRP 46 8.344 -18.434 12.452 361 HB2 TRP 46 1HB TRP 46 9.365 -19.384 9.785 362 HB3 TRP 46 2HB TRP 46 10.217 -18.143 10.700 363 HD1 TRP 46 HD1 TRP 46 8.834 -21.701 11.467 364 HE1 TRP 46 HE1 TRP 46 10.577 -22.922 12.916 365 HE3 TRP 46 HE3 TRP 46 12.303 -17.968 11.882 366 HZ2 TRP 46 HZ2 TRP 46 13.089 -22.374 14.081 367 HZ3 TRP 46 HZ3 TRP 46 14.347 -18.398 13.182 368 HH2 TRP 46 HH2 TRP 46 14.730 -20.556 14.258 369 H ALA 47 H ALA 47 8.324 -16.270 12.527 370 HA ALA 47 HA ALA 47 7.580 -14.771 10.115 371 HB1 ALA 47 1HB ALA 47 5.553 -15.120 11.491 372 HB2 ALA 47 2HB ALA 47 6.347 -14.278 12.822 373 HB3 ALA 47 3HB ALA 47 5.992 -13.420 11.322 374 H THR 48 H THR 48 8.596 -12.838 9.869 375 HA THR 48 HA THR 48 10.394 -11.989 12.047 376 HB THR 48 HB THR 48 10.971 -11.639 9.104 377 HG1 THR 48 HG1 THR 48 12.499 -13.390 9.510 378 HG21 THR 48 3HG2 THR 48 12.856 -10.584 9.724 379 HG22 THR 48 1HG2 THR 48 13.164 -11.713 11.043 380 HG23 THR 48 2HG2 THR 48 12.048 -10.367 11.277 381 H LEU 49 H LEU 49 10.250 -9.925 12.684 382 HA LEU 49 HA LEU 49 8.365 -8.189 11.281 383 HB2 LEU 49 1HB LEU 49 9.431 -8.370 14.039 384 HB3 LEU 49 2HB LEU 49 9.000 -6.766 13.449 385 HG LEU 49 HG LEU 49 6.993 -8.942 13.161 386 HD11 LEU 49 1HD1 LEU 49 7.015 -9.446 15.327 387 HD12 LEU 49 2HD1 LEU 49 6.419 -7.813 15.618 388 HD13 LEU 49 3HD1 LEU 49 8.149 -8.146 15.697 389 HD21 LEU 49 3HD2 LEU 49 7.025 -5.976 13.552 390 HD22 LEU 49 1HD2 LEU 49 5.575 -6.910 13.919 391 HD23 LEU 49 2HD2 LEU 49 6.247 -6.931 12.289 392 H LEU 50 H LEU 50 9.133 -6.810 9.835 393 HA LEU 50 HA LEU 50 11.849 -5.735 10.208 394 HB2 LEU 50 1HB LEU 50 10.535 -5.456 7.584 395 HB3 LEU 50 2HB LEU 50 12.210 -5.832 7.980 396 HG LEU 50 HG LEU 50 9.910 -7.784 8.059 397 HD11 LEU 50 1HD1 LEU 50 10.629 -6.984 5.787 398 HD12 LEU 50 2HD1 LEU 50 10.780 -8.719 6.063 399 HD13 LEU 50 3HD1 LEU 50 12.211 -7.689 6.122 400 HD21 LEU 50 3HD2 LEU 50 11.449 -9.445 8.628 401 HD22 LEU 50 1HD2 LEU 50 11.886 -8.087 9.665 402 HD23 LEU 50 2HD2 LEU 50 12.835 -8.433 8.219 403 H ASP 51 H ASP 51 12.193 -3.516 9.394 404 HA ASP 51 HA ASP 51 10.171 -1.763 10.436 405 HB2 ASP 51 1HB ASP 51 12.833 -1.567 10.388 406 HB3 ASP 51 2HB ASP 51 12.485 -0.682 8.906 407 H GLU 52 H GLU 52 9.919 0.390 9.017 408 HA GLU 52 HA GLU 52 8.172 -0.258 6.935 409 HB2 GLU 52 1HB GLU 52 8.175 2.136 6.409 410 HB3 GLU 52 2HB GLU 52 8.055 1.863 8.142 411 HG2 GLU 52 1HG GLU 52 10.633 2.159 8.104 412 HG3 GLU 52 2HG GLU 52 10.337 2.940 6.552 413 H ALA 53 H ALA 53 11.597 0.502 6.919 414 HA ALA 53 HA ALA 53 11.770 0.684 4.052 415 HB1 ALA 53 1HB ALA 53 13.575 1.821 4.682 416 HB2 ALA 53 2HB ALA 53 13.521 1.142 6.309 417 HB3 ALA 53 3HB ALA 53 14.338 0.266 5.015 418 H GLY 54 H GLY 54 11.759 -1.846 6.352 419 HA2 GLY 54 1HA GLY 54 11.433 -4.098 5.464 420 HA3 GLY 54 2HA GLY 54 12.656 -3.725 4.258 421 H GLY 55 H GLY 55 13.917 -2.316 6.841 422 HA2 GLY 55 1HA GLY 55 15.893 -4.289 7.253 423 HA3 GLY 55 2HA GLY 55 15.661 -2.850 8.235 424 H ALA 56 H ALA 56 15.660 -6.156 8.277 425 HA ALA 56 HA ALA 56 13.553 -6.944 9.870 426 HB1 ALA 56 1HB ALA 56 14.966 -8.619 9.011 427 HB2 ALA 56 2HB ALA 56 16.396 -7.910 9.761 428 HB3 ALA 56 3HB ALA 56 15.168 -8.685 10.762 429 H VAL 57 H VAL 57 13.378 -7.325 12.151 430 HA VAL 57 HA VAL 57 15.133 -5.719 13.860 431 HB VAL 57 HB VAL 57 12.132 -5.561 14.109 432 HG11 VAL 57 1HG1 VAL 57 14.437 -4.151 15.425 433 HG12 VAL 57 2HG1 VAL 57 12.793 -3.510 15.461 434 HG13 VAL 57 3HG1 VAL 57 13.144 -5.082 16.179 435 HG21 VAL 57 3HG2 VAL 57 12.801 -4.554 11.989 436 HG22 VAL 57 1HG2 VAL 57 12.287 -3.319 13.139 437 HG23 VAL 57 2HG2 VAL 57 14.004 -3.572 12.824 438 H ALA 58 H ALA 58 12.098 -7.571 14.175 439 HA ALA 58 HA ALA 58 13.355 -9.077 16.370 440 HB1 ALA 58 1HB ALA 58 10.702 -7.929 16.002 441 HB2 ALA 58 2HB ALA 58 10.667 -9.610 16.536 442 HB3 ALA 58 3HB ALA 58 11.539 -8.403 17.481 443 H GLN 59 H GLN 59 13.244 -11.309 16.422 444 HA GLN 59 HA GLN 59 12.123 -12.637 14.051 445 HB2 GLN 59 1HB GLN 59 14.741 -13.459 15.296 446 HB3 GLN 59 2HB GLN 59 14.053 -13.994 13.769 447 HG2 GLN 59 1HG GLN 59 15.559 -12.524 12.958 448 HG3 GLN 59 2HG GLN 59 14.228 -11.401 13.229 449 HE21 GLN 59 2HE2 GLN 59 16.703 -12.904 15.285 450 HE22 GLN 59 1HE2 GLN 59 17.260 -11.426 15.987 451 H GLY 60 H GLY 60 10.878 -14.345 14.501 452 HA2 GLY 60 1HA GLY 60 11.347 -16.156 16.628 453 HA3 GLY 60 2HA GLY 60 10.102 -15.006 17.091 454 H TYR 61 H TYR 61 9.374 -17.570 17.052 455 HA TYR 61 HA TYR 61 7.875 -17.877 14.533 456 HB2 TYR 61 1HB TYR 61 7.770 -20.327 15.170 457 HB3 TYR 61 2HB TYR 61 9.361 -19.726 14.716 458 HD1 TYR 61 HD1 TYR 61 7.260 -20.859 17.514 459 HD2 TYR 61 HD2 TYR 61 11.152 -19.621 16.319 460 HE1 TYR 61 HE1 TYR 61 8.172 -21.690 19.642 461 HE2 TYR 61 HE2 TYR 61 12.074 -20.449 18.444 462 HH TYR 61 HH TYR 61 11.081 -22.449 20.226 463 H VAL 62 H VAL 62 5.702 -18.091 14.617 464 HA VAL 62 HA VAL 62 4.402 -18.520 17.202 465 HB VAL 62 HB VAL 62 2.756 -16.658 16.570 466 HG11 VAL 62 1HG1 VAL 62 5.183 -15.205 17.205 467 HG12 VAL 62 2HG1 VAL 62 3.751 -15.499 18.194 468 HG13 VAL 62 3HG1 VAL 62 5.044 -16.699 18.132 469 HG21 VAL 62 3HG2 VAL 62 3.491 -14.922 15.135 470 HG22 VAL 62 1HG2 VAL 62 5.108 -15.616 15.007 471 HG23 VAL 62 2HG2 VAL 62 3.737 -16.428 14.251 472 HA PRO 63 HA PRO 63 1.555 -20.952 14.911 473 HB2 PRO 63 1HB PRO 63 -0.733 -20.586 16.325 474 HB3 PRO 63 2HB PRO 63 0.622 -21.551 16.923 475 HG2 PRO 63 1HG PRO 63 -0.120 -18.724 17.570 476 HG3 PRO 63 2HG PRO 63 0.423 -20.015 18.657 477 HD2 PRO 63 1HD PRO 63 2.079 -18.065 17.772 478 HD3 PRO 63 2HD PRO 63 2.642 -19.713 18.113 479 H HIS 64 H HIS 64 -0.101 -20.866 13.381 480 HA HIS 64 HA HIS 64 -0.437 -18.490 11.972 481 HB2 HIS 64 1HB HIS 64 -0.805 -20.819 11.095 482 HB3 HIS 64 2HB HIS 64 -2.352 -20.828 11.936 483 HD1 HIS 64 HD1 HIS 64 -4.154 -20.468 10.296 484 HD2 HIS 64 HD2 HIS 64 -0.807 -18.165 9.428 485 HE1 HIS 64 HE1 HIS 64 -4.776 -19.115 8.270 486 H ASN 65 H ASN 65 -2.172 -19.743 14.695 487 HA ASN 65 HA ASN 65 -4.534 -18.192 14.395 488 HB2 ASN 65 1HB ASN 65 -4.594 -20.144 15.801 489 HB3 ASN 65 2HB ASN 65 -3.290 -19.522 16.808 490 HD21 ASN 65 2HD2 ASN 65 -3.789 -18.335 18.531 491 HD22 ASN 65 1HD2 ASN 65 -5.370 -17.756 18.917 492 H TYR 66 H TYR 66 -1.356 -17.467 15.444 493 HA TYR 66 HA TYR 66 -1.998 -15.257 17.136 494 HB2 TYR 66 1HB TYR 66 0.294 -16.715 16.568 495 HB3 TYR 66 2HB TYR 66 0.632 -15.129 15.883 496 HD1 TYR 66 HD2 TYR 66 -1.136 -16.271 18.977 497 HD2 TYR 66 HD1 TYR 66 1.978 -13.907 17.299 498 HE1 TYR 66 HE2 TYR 66 -0.576 -15.429 21.219 499 HE2 TYR 66 HE1 TYR 66 2.548 -13.059 19.536 500 HH TYR 66 HH TYR 66 1.340 -12.760 21.754 501 H LEU 67 H LEU 67 -0.347 -15.291 13.972 502 HA LEU 67 HA LEU 67 -1.304 -12.572 13.492 503 HB2 LEU 67 1HB LEU 67 0.294 -12.530 11.659 504 HB3 LEU 67 2HB LEU 67 1.067 -12.996 13.173 505 HG LEU 67 HG LEU 67 0.447 -15.423 12.043 506 HD11 LEU 67 1HD1 LEU 67 0.747 -13.399 9.921 507 HD12 LEU 67 2HD1 LEU 67 -0.066 -14.964 9.896 508 HD13 LEU 67 3HD1 LEU 67 1.687 -14.878 9.724 509 HD21 LEU 67 3HD2 LEU 67 3.007 -13.858 11.725 510 HD22 LEU 67 1HD2 LEU 67 2.830 -15.612 11.655 511 HD23 LEU 67 2HD2 LEU 67 2.533 -14.756 13.168 512 H ALA 68 H ALA 68 -2.418 -11.980 11.606 513 HA ALA 68 HA ALA 68 -3.633 -14.209 10.111 514 HB1 ALA 68 1HB ALA 68 -5.145 -11.692 10.712 515 HB2 ALA 68 2HB ALA 68 -5.761 -13.274 10.232 516 HB3 ALA 68 3HB ALA 68 -5.116 -13.035 11.856 517 H GLU 69 H GLU 69 -3.169 -14.104 8.022 518 HA GLU 69 HA GLU 69 -1.770 -12.092 6.758 519 HB2 GLU 69 1HB GLU 69 -2.489 -13.114 4.636 520 HB3 GLU 69 2HB GLU 69 -1.982 -14.321 5.809 521 HG2 GLU 69 1HG GLU 69 -4.569 -14.339 6.360 522 HG3 GLU 69 2HG GLU 69 -4.671 -13.763 4.698 523 H ARG 70 H ARG 70 -2.272 -10.074 6.254 524 HA ARG 70 HA ARG 70 -5.035 -9.445 5.479 525 HB2 ARG 70 1HB ARG 70 -3.404 -8.219 7.650 526 HB3 ARG 70 2HB ARG 70 -4.438 -7.159 6.702 527 HG2 ARG 70 1HG ARG 70 -6.385 -8.208 7.419 528 HG3 ARG 70 2HG ARG 70 -5.524 -9.659 7.937 529 HD2 ARG 70 1HD ARG 70 -5.326 -8.837 9.989 530 HD3 ARG 70 2HD ARG 70 -4.484 -7.421 9.360 531 HE ARG 70 HE ARG 70 -7.220 -7.572 10.207 532 HH11 ARG 70 1HH1 ARG 70 -4.967 -5.905 8.142 533 HH12 ARG 70 2HH1 ARG 70 -5.899 -4.446 8.084 534 HH21 ARG 70 1HH2 ARG 70 -8.456 -5.656 10.138 535 HH22 ARG 70 2HH2 ARG 70 -7.883 -4.305 9.220 536 H GLU 71 H GLU 71 -4.868 -8.886 3.405 537 HA GLU 71 HA GLU 71 -2.533 -7.371 2.502 538 HB2 GLU 71 1HB GLU 71 -4.731 -8.491 0.770 539 HB3 GLU 71 2HB GLU 71 -3.111 -8.009 0.285 540 HG2 GLU 71 1HG GLU 71 -2.228 -9.866 1.710 541 HG3 GLU 71 2HG GLU 71 -3.893 -10.400 1.928 542 H THR 72 H THR 72 -3.367 -5.938 0.433 543 HA THR 72 HA THR 72 -5.267 -4.032 1.626 544 HB THR 72 HB THR 72 -3.412 -3.281 -0.603 545 HG1 THR 72 HG1 THR 72 -1.741 -3.528 0.659 546 HG21 THR 72 3HG2 THR 72 -5.313 -1.945 0.961 547 HG22 THR 72 1HG2 THR 72 -4.160 -1.227 -0.163 548 HG23 THR 72 2HG2 THR 72 -3.745 -1.389 1.544 Start of MODEL 12 1 H1 MET 1 H MET 1 -5.434 -0.931 -17.980 2 HA MET 1 HA MET 1 -3.099 -2.708 -18.201 3 HB2 MET 1 1HB MET 1 -3.219 0.177 -17.451 4 HB3 MET 1 2HB MET 1 -2.046 -0.848 -16.634 5 HG2 MET 1 1HG MET 1 -0.792 -0.087 -18.375 6 HG3 MET 1 2HG MET 1 -1.436 -1.572 -19.072 7 HE1 MET 1 3HE MET 1 -2.008 -1.686 -21.208 8 HE2 MET 1 1HE MET 1 -2.583 -0.428 -22.303 9 HE3 MET 1 2HE MET 1 -0.910 -0.414 -21.745 10 H VAL 2 H VAL 2 -3.925 -4.324 -16.928 11 HA VAL 2 HA VAL 2 -3.748 -3.992 -14.118 12 HB VAL 2 HB VAL 2 -5.956 -2.962 -14.399 13 HG11 VAL 2 1HG1 VAL 2 -6.535 -4.245 -16.472 14 HG12 VAL 2 2HG1 VAL 2 -6.900 -5.627 -15.438 15 HG13 VAL 2 3HG1 VAL 2 -7.831 -4.137 -15.282 16 HG21 VAL 2 3HG2 VAL 2 -7.134 -4.260 -12.747 17 HG22 VAL 2 1HG2 VAL 2 -6.176 -5.690 -13.133 18 HG23 VAL 2 2HG2 VAL 2 -5.410 -4.293 -12.377 19 H SER 3 H SER 3 -3.682 -5.951 -13.029 20 HA SER 3 HA SER 3 -4.249 -8.383 -14.558 21 HB2 SER 3 1HB SER 3 -1.943 -8.199 -15.001 22 HB3 SER 3 2HB SER 3 -1.588 -7.610 -13.377 23 HG SER 3 HG SER 3 -1.420 -10.070 -14.209 24 H ARG 4 H ARG 4 -5.003 -10.053 -13.354 25 HA ARG 4 HA ARG 4 -5.935 -9.518 -10.731 26 HB2 ARG 4 1HB ARG 4 -5.762 -12.155 -12.201 27 HB3 ARG 4 2HB ARG 4 -6.708 -11.851 -10.750 28 HG2 ARG 4 1HG ARG 4 -7.123 -10.502 -13.410 29 HG3 ARG 4 2HG ARG 4 -8.077 -11.847 -12.781 30 HD2 ARG 4 1HD ARG 4 -7.844 -9.077 -11.615 31 HD3 ARG 4 2HD ARG 4 -9.260 -9.788 -12.388 32 HE ARG 4 HE ARG 4 -8.752 -11.479 -10.336 33 HH11 ARG 4 1HH1 ARG 4 -9.176 -8.031 -10.558 34 HH12 ARG 4 2HH1 ARG 4 -9.840 -7.878 -8.965 35 HH21 ARG 4 1HH2 ARG 4 -9.624 -11.291 -8.236 36 HH22 ARG 4 2HH2 ARG 4 -10.093 -9.734 -7.645 37 H ASP 5 H ASP 5 -3.070 -11.015 -11.997 38 HA ASP 5 HA ASP 5 -2.327 -12.329 -9.556 39 HB2 ASP 5 1HB ASP 5 -1.596 -12.815 -12.040 40 HB3 ASP 5 2HB ASP 5 -0.334 -11.641 -11.679 41 H GLN 6 H GLN 6 -1.848 -9.188 -10.963 42 HA GLN 6 HA GLN 6 0.378 -8.384 -9.415 43 HB2 GLN 6 1HB GLN 6 -0.787 -7.307 -11.532 44 HB3 GLN 6 2HB GLN 6 -1.663 -6.397 -10.308 45 HG2 GLN 6 1HG GLN 6 0.326 -5.435 -9.467 46 HG3 GLN 6 2HG GLN 6 1.335 -6.542 -10.396 47 HE21 GLN 6 2HE2 GLN 6 2.450 -4.936 -11.450 48 HE22 GLN 6 1HE2 GLN 6 1.731 -3.924 -12.650 49 H ALA 7 H ALA 7 -3.097 -8.262 -8.883 50 HA ALA 7 HA ALA 7 -3.082 -6.597 -6.611 51 HB1 ALA 7 1HB ALA 7 -5.322 -7.295 -6.250 52 HB2 ALA 7 2HB ALA 7 -5.083 -7.225 -7.996 53 HB3 ALA 7 3HB ALA 7 -5.076 -8.781 -7.167 54 H HIS 8 H HIS 8 -2.608 -10.052 -7.019 55 HA HIS 8 HA HIS 8 -2.027 -10.248 -4.137 56 HB2 HIS 8 1HB HIS 8 -3.419 -12.188 -5.966 57 HB3 HIS 8 2HB HIS 8 -2.632 -12.738 -4.490 58 HD1 HIS 8 HD1 HIS 8 -5.773 -11.458 -5.723 59 HD2 HIS 8 HD2 HIS 8 -3.734 -11.370 -2.104 60 HE1 HIS 8 HE1 HIS 8 -7.500 -10.867 -3.992 61 H LEU 9 H LEU 9 0.173 -9.880 -4.370 62 HA LEU 9 HA LEU 9 1.649 -11.960 -5.846 63 HB2 LEU 9 1HB LEU 9 3.513 -10.130 -5.743 64 HB3 LEU 9 2HB LEU 9 2.270 -10.085 -6.992 65 HG LEU 9 HG LEU 9 1.068 -8.365 -5.748 66 HD11 LEU 9 1HD1 LEU 9 1.760 -9.090 -3.492 67 HD12 LEU 9 2HD1 LEU 9 1.982 -7.361 -3.757 68 HD13 LEU 9 3HD1 LEU 9 3.372 -8.446 -3.806 69 HD21 LEU 9 3HD2 LEU 9 2.293 -6.800 -6.749 70 HD22 LEU 9 1HD2 LEU 9 3.458 -8.070 -7.123 71 HD23 LEU 9 2HD2 LEU 9 3.663 -7.083 -5.675 72 H GLY 10 H GLY 10 0.666 -11.853 -3.020 73 HA2 GLY 10 1HA GLY 10 1.633 -13.010 -1.198 74 HA3 GLY 10 2HA GLY 10 3.226 -12.564 -1.792 75 HA PRO 11 HA PRO 11 1.388 -8.702 0.505 76 HB2 PRO 11 1HB PRO 11 -0.742 -9.204 2.111 77 HB3 PRO 11 2HB PRO 11 -0.908 -8.716 0.420 78 HG2 PRO 11 1HG PRO 11 -1.066 -11.451 1.626 79 HG3 PRO 11 2HG PRO 11 -2.095 -10.715 0.383 80 HD2 PRO 11 1HD PRO 11 -0.104 -12.451 -0.214 81 HD3 PRO 11 2HD PRO 11 -0.572 -11.126 -1.298 82 H LYS 12 H LYS 12 1.461 -8.050 2.824 83 HA LYS 12 HA LYS 12 3.272 -9.764 4.256 84 HB2 LYS 12 1HB LYS 12 3.798 -7.923 5.498 85 HB3 LYS 12 2HB LYS 12 3.101 -7.109 4.103 86 HG2 LYS 12 1HG LYS 12 1.673 -7.731 6.681 87 HG3 LYS 12 2HG LYS 12 2.287 -6.153 6.183 88 HD2 LYS 12 1HD LYS 12 0.776 -6.723 4.047 89 HD3 LYS 12 2HD LYS 12 -0.104 -7.643 5.270 90 HE2 LYS 12 1HE LYS 12 -0.576 -5.733 6.532 91 HE3 LYS 12 2HE LYS 12 0.683 -4.787 5.740 92 HZ1 LYS 12 3HZ LYS 12 -0.705 -4.183 4.126 93 HZ2 LYS 12 1HZ LYS 12 -1.957 -4.745 5.115 94 HZ3 LYS 12 2HZ LYS 12 -1.311 -5.749 3.917 95 H TYR 13 H TYR 13 2.931 -10.068 6.674 96 HA TYR 13 HA TYR 13 0.158 -10.950 7.136 97 HB2 TYR 13 1HB TYR 13 2.739 -12.091 8.226 98 HB3 TYR 13 2HB TYR 13 1.129 -12.640 8.676 99 HD1 TYR 13 HD1 TYR 13 3.362 -12.230 5.723 100 HD2 TYR 13 HD2 TYR 13 0.091 -14.331 7.453 101 HE1 TYR 13 HE1 TYR 13 3.374 -13.798 3.828 102 HE2 TYR 13 HE2 TYR 13 0.095 -15.905 5.563 103 HH TYR 13 HH TYR 13 2.329 -15.499 2.838 104 H VAL 14 H VAL 14 -0.838 -10.469 9.057 105 HA VAL 14 HA VAL 14 0.664 -8.995 11.089 106 HB VAL 14 HB VAL 14 -0.607 -7.492 9.321 107 HG11 VAL 14 1HG1 VAL 14 -2.747 -8.850 9.969 108 HG12 VAL 14 2HG1 VAL 14 -2.806 -7.722 11.325 109 HG13 VAL 14 3HG1 VAL 14 -2.850 -7.115 9.669 110 HG21 VAL 14 3HG2 VAL 14 0.384 -7.140 11.876 111 HG22 VAL 14 1HG2 VAL 14 -0.104 -5.863 10.762 112 HG23 VAL 14 2HG2 VAL 14 -1.244 -6.467 11.965 113 H GLY 15 H GLY 15 -0.257 -9.043 13.163 114 HA2 GLY 15 1HA GLY 15 -2.589 -9.662 14.197 115 HA3 GLY 15 2HA GLY 15 -2.169 -11.231 13.527 116 H LEU 16 H LEU 16 -0.446 -8.710 15.374 117 HA LEU 16 HA LEU 16 0.235 -10.762 17.365 118 HB2 LEU 16 1HB LEU 16 2.051 -9.010 15.799 119 HB3 LEU 16 2HB LEU 16 2.453 -9.307 17.489 120 HG LEU 16 HG LEU 16 3.654 -10.824 16.008 121 HD11 LEU 16 1HD1 LEU 16 3.551 -12.311 17.645 122 HD12 LEU 16 2HD1 LEU 16 1.982 -12.875 17.071 123 HD13 LEU 16 3HD1 LEU 16 2.072 -11.547 18.229 124 HD21 LEU 16 3HD2 LEU 16 2.725 -11.990 14.330 125 HD22 LEU 16 1HD2 LEU 16 1.417 -10.816 14.466 126 HD23 LEU 16 2HD2 LEU 16 1.282 -12.383 15.265 127 H TRP 17 H TRP 17 -1.558 -9.741 18.507 128 HA TRP 17 HA TRP 17 -1.848 -7.132 19.241 129 HB2 TRP 17 1HB TRP 17 -3.211 -9.250 19.911 130 HB3 TRP 17 2HB TRP 17 -2.160 -9.271 21.324 131 HD1 TRP 17 HD1 TRP 17 -2.962 -7.875 23.318 132 HE1 TRP 17 HE1 TRP 17 -4.704 -6.015 23.678 133 HE3 TRP 17 HE3 TRP 17 -4.354 -7.114 18.458 134 HZ2 TRP 17 HZ2 TRP 17 -6.440 -4.435 22.110 135 HZ3 TRP 17 HZ3 TRP 17 -6.063 -5.411 17.973 136 HH2 TRP 17 HH2 TRP 17 -7.083 -4.101 19.763 137 H ASP 18 H ASP 18 -1.327 -6.014 21.276 138 HA ASP 18 HA ASP 18 1.339 -5.606 21.679 139 HB2 ASP 18 1HB ASP 18 -0.627 -4.257 22.587 140 HB3 ASP 18 2HB ASP 18 -0.651 -5.390 23.935 141 H PHE 19 H PHE 19 2.759 -7.216 21.997 142 HA PHE 19 HA PHE 19 2.619 -8.663 24.515 143 HB2 PHE 19 1HB PHE 19 1.574 -9.962 22.429 144 HB3 PHE 19 2HB PHE 19 3.269 -10.345 22.147 145 HD1 PHE 19 HD2 PHE 19 4.577 -11.402 24.063 146 HD2 PHE 19 HD1 PHE 19 0.328 -11.161 23.980 147 HE1 PHE 19 HE2 PHE 19 4.445 -13.209 25.728 148 HE2 PHE 19 HE1 PHE 19 0.190 -12.968 25.645 149 HZ PHE 19 HZ PHE 19 2.250 -13.995 26.520 150 H LYS 20 H LYS 20 4.531 -8.449 25.447 151 HA LYS 20 HA LYS 20 6.924 -8.280 23.734 152 HB2 LYS 20 1HB LYS 20 6.187 -6.813 26.248 153 HB3 LYS 20 2HB LYS 20 7.875 -7.025 25.802 154 HG2 LYS 20 1HG LYS 20 7.626 -5.117 24.678 155 HG3 LYS 20 2HG LYS 20 6.783 -6.097 23.476 156 HD2 LYS 20 1HD LYS 20 4.650 -5.584 24.516 157 HD3 LYS 20 2HD LYS 20 5.466 -4.674 25.790 158 HE2 LYS 20 1HE LYS 20 5.466 -4.007 22.847 159 HE3 LYS 20 2HE LYS 20 4.532 -3.184 24.096 160 HZ1 LYS 20 3HZ LYS 20 7.454 -3.162 23.668 161 HZ2 LYS 20 1HZ LYS 20 6.791 -2.758 25.171 162 HZ3 LYS 20 2HZ LYS 20 6.393 -1.851 23.801 163 H SER 21 H SER 21 8.131 -10.043 23.880 164 HA SER 21 HA SER 21 8.135 -11.553 26.404 165 HB2 SER 21 1HB SER 21 8.735 -12.410 23.568 166 HB3 SER 21 2HB SER 21 9.037 -13.432 24.973 167 HG SER 21 HG SER 21 6.950 -13.753 25.208 168 H ARG 22 H ARG 22 10.362 -12.985 26.324 169 HA ARG 22 HA ARG 22 12.570 -11.073 25.966 170 HB2 ARG 22 1HB ARG 22 12.212 -12.920 28.333 171 HB3 ARG 22 2HB ARG 22 13.559 -11.820 28.070 172 HG2 ARG 22 1HG ARG 22 12.361 -9.984 28.668 173 HG3 ARG 22 2HG ARG 22 10.832 -10.660 28.102 174 HD2 ARG 22 1HD ARG 22 10.401 -11.684 30.074 175 HD3 ARG 22 2HD ARG 22 12.100 -12.043 30.379 176 HE ARG 22 HE ARG 22 11.798 -9.300 30.637 177 HH11 ARG 22 1HH1 ARG 22 10.613 -12.185 32.183 178 HH12 ARG 22 2HH1 ARG 22 10.421 -11.433 33.732 179 HH21 ARG 22 1HH2 ARG 22 11.550 -8.299 32.672 180 HH22 ARG 22 2HH2 ARG 22 10.954 -9.223 34.009 181 H THR 23 H THR 23 11.566 -13.401 24.400 182 HA THR 23 HA THR 23 14.138 -14.749 24.138 183 HB THR 23 HB THR 23 12.846 -16.969 23.865 184 HG1 THR 23 HG1 THR 23 10.866 -17.073 24.754 185 HG21 THR 23 3HG2 THR 23 14.368 -16.088 25.822 186 HG22 THR 23 1HG2 THR 23 13.442 -17.577 26.003 187 HG23 THR 23 2HG2 THR 23 12.846 -16.076 26.712 188 H ASP 24 H ASP 24 14.444 -15.772 22.099 189 HA ASP 24 HA ASP 24 13.400 -14.386 19.914 190 HB2 ASP 24 1HB ASP 24 14.603 -17.160 19.854 191 HB3 ASP 24 2HB ASP 24 14.530 -16.009 18.522 192 H GLU 25 H GLU 25 12.156 -17.088 21.653 193 HA GLU 25 HA GLU 25 10.548 -18.286 19.700 194 HB2 GLU 25 1HB GLU 25 9.927 -18.027 22.646 195 HB3 GLU 25 2HB GLU 25 9.278 -19.229 21.539 196 HG2 GLU 25 1HG GLU 25 12.165 -19.245 21.543 197 HG3 GLU 25 2HG GLU 25 11.509 -19.484 23.161 198 H GLU 26 H GLU 26 10.266 -15.260 21.280 199 HA GLU 26 HA GLU 26 7.700 -14.811 19.940 200 HB2 GLU 26 1HB GLU 26 8.263 -14.565 22.854 201 HB3 GLU 26 2HB GLU 26 7.225 -13.353 22.117 202 HG2 GLU 26 1HG GLU 26 6.213 -15.724 21.151 203 HG3 GLU 26 2HG GLU 26 6.668 -16.115 22.808 204 H LEU 27 H LEU 27 7.209 -12.548 19.589 205 HA LEU 27 HA LEU 27 9.656 -10.979 19.236 206 HB2 LEU 27 1HB LEU 27 6.898 -10.586 18.083 207 HB3 LEU 27 2HB LEU 27 8.316 -9.611 17.704 208 HG LEU 27 HG LEU 27 9.260 -12.017 17.012 209 HD11 LEU 27 1HD1 LEU 27 7.497 -13.443 17.368 210 HD12 LEU 27 2HD1 LEU 27 7.241 -13.006 15.679 211 HD13 LEU 27 3HD1 LEU 27 6.288 -12.231 16.944 212 HD21 LEU 27 3HD2 LEU 27 7.442 -10.536 15.138 213 HD22 LEU 27 1HD2 LEU 27 8.958 -11.366 14.784 214 HD23 LEU 27 2HD2 LEU 27 8.972 -9.850 15.687 215 H SER 28 H SER 28 9.641 -8.688 19.704 216 HA SER 28 HA SER 28 7.888 -8.036 21.981 217 HB2 SER 28 1HB SER 28 10.092 -8.124 22.824 218 HB3 SER 28 2HB SER 28 10.758 -7.317 21.404 219 HG SER 28 HG SER 28 10.402 -5.481 22.342 220 H PHE 29 H PHE 29 6.325 -7.274 20.388 221 HA PHE 29 HA PHE 29 6.618 -4.452 19.935 222 HB2 PHE 29 1HB PHE 29 6.466 -4.412 17.571 223 HB3 PHE 29 2HB PHE 29 7.733 -5.578 17.938 224 HD1 PHE 29 HD1 PHE 29 7.127 -8.042 17.920 225 HD2 PHE 29 HD2 PHE 29 4.621 -5.016 16.283 226 HE1 PHE 29 HE1 PHE 29 5.949 -9.743 16.588 227 HE2 PHE 29 HE2 PHE 29 3.439 -6.712 14.949 228 HZ PHE 29 HZ PHE 29 4.102 -9.079 15.101 229 H ARG 30 H ARG 30 4.612 -3.496 19.023 230 HA ARG 30 HA ARG 30 2.299 -4.936 20.072 231 HB2 ARG 30 1HB ARG 30 1.182 -2.845 20.152 232 HB3 ARG 30 2HB ARG 30 2.821 -2.543 20.713 233 HG2 ARG 30 1HG ARG 30 3.420 -1.642 18.536 234 HG3 ARG 30 2HG ARG 30 1.795 -1.982 17.938 235 HD2 ARG 30 1HD ARG 30 0.887 -0.469 19.674 236 HD3 ARG 30 2HD ARG 30 2.538 -0.080 20.157 237 HE ARG 30 HE ARG 30 2.195 0.389 17.392 238 HH11 ARG 30 1HH1 ARG 30 1.346 1.690 20.508 239 HH12 ARG 30 2HH1 ARG 30 1.215 3.320 19.937 240 HH21 ARG 30 1HH2 ARG 30 2.026 2.531 16.628 241 HH22 ARG 30 2HH2 ARG 30 1.601 3.798 17.729 242 H ALA 31 H ALA 31 0.367 -5.196 18.885 243 HA ALA 31 HA ALA 31 0.588 -6.165 16.322 244 HB1 ALA 31 1HB ALA 31 -1.391 -6.835 17.163 245 HB2 ALA 31 2HB ALA 31 -1.648 -5.329 18.045 246 HB3 ALA 31 3HB ALA 31 -1.999 -5.410 16.319 247 H GLY 32 H GLY 32 -0.559 -5.311 14.338 248 HA2 GLY 32 1HA GLY 32 -1.205 -3.469 12.976 249 HA3 GLY 32 2HA GLY 32 -0.385 -2.391 14.096 250 H ASP 33 H ASP 33 1.980 -4.233 14.131 251 HA ASP 33 HA ASP 33 3.450 -2.956 12.069 252 HB2 ASP 33 1HB ASP 33 4.001 -4.800 14.273 253 HB3 ASP 33 2HB ASP 33 5.013 -5.087 12.860 254 H VAL 34 H VAL 34 4.558 -3.946 10.293 255 HA VAL 34 HA VAL 34 3.036 -6.185 9.139 256 HB VAL 34 HB VAL 34 3.957 -5.411 6.950 257 HG11 VAL 34 1HG1 VAL 34 2.509 -3.139 8.261 258 HG12 VAL 34 2HG1 VAL 34 2.316 -3.792 6.633 259 HG13 VAL 34 3HG1 VAL 34 1.724 -4.700 8.025 260 HG21 VAL 34 3HG2 VAL 34 4.580 -2.728 7.723 261 HG22 VAL 34 1HG2 VAL 34 5.613 -3.850 8.608 262 HG23 VAL 34 2HG2 VAL 34 5.574 -3.890 6.845 263 H PHE 35 H PHE 35 4.041 -8.008 8.441 264 HA PHE 35 HA PHE 35 6.941 -8.131 8.324 265 HB2 PHE 35 1HB PHE 35 6.488 -10.403 9.768 266 HB3 PHE 35 2HB PHE 35 7.078 -8.890 10.447 267 HD1 PHE 35 HD1 PHE 35 5.508 -7.352 11.582 268 HD2 PHE 35 HD2 PHE 35 4.329 -11.229 10.280 269 HE1 PHE 35 HE1 PHE 35 3.539 -7.244 13.053 270 HE2 PHE 35 HE2 PHE 35 2.357 -11.127 11.748 271 HZ PHE 35 HZ PHE 35 1.960 -9.132 13.136 272 H HIS 36 H HIS 36 7.687 -10.300 7.545 273 HA HIS 36 HA HIS 36 5.664 -11.498 5.767 274 HB2 HIS 36 1HB HIS 36 7.469 -10.140 4.635 275 HB3 HIS 36 2HB HIS 36 8.629 -11.334 5.209 276 HD1 HIS 36 HD1 HIS 36 9.093 -13.164 3.617 277 HD2 HIS 36 HD2 HIS 36 5.360 -11.461 2.965 278 HE1 HIS 36 HE1 HIS 36 8.174 -14.318 1.580 279 H VAL 37 H VAL 37 6.073 -13.760 5.169 280 HA VAL 37 HA VAL 37 7.039 -15.255 7.491 281 HB VAL 37 HB VAL 37 5.894 -17.193 6.467 282 HG11 VAL 37 1HG1 VAL 37 4.436 -16.290 7.945 283 HG12 VAL 37 2HG1 VAL 37 4.525 -14.683 7.219 284 HG13 VAL 37 3HG1 VAL 37 3.529 -15.934 6.475 285 HG21 VAL 37 3HG2 VAL 37 5.518 -17.162 4.273 286 HG22 VAL 37 1HG2 VAL 37 4.217 -16.011 4.580 287 HG23 VAL 37 2HG2 VAL 37 5.834 -15.429 4.183 288 H ALA 38 H ALA 38 8.886 -16.355 7.470 289 HA ALA 38 HA ALA 38 10.368 -16.554 4.955 290 HB1 ALA 38 1HB ALA 38 12.224 -16.250 6.155 291 HB2 ALA 38 2HB ALA 38 11.151 -15.810 7.484 292 HB3 ALA 38 3HB ALA 38 11.754 -17.461 7.348 293 H ARG 39 H ARG 39 8.885 -18.522 7.429 294 HA ARG 39 HA ARG 39 9.276 -20.876 5.748 295 HB2 ARG 39 1HB ARG 39 10.373 -20.504 8.486 296 HB3 ARG 39 2HB ARG 39 9.674 -22.073 8.106 297 HG2 ARG 39 1HG ARG 39 11.796 -20.754 6.433 298 HG3 ARG 39 2HG ARG 39 12.142 -21.881 7.746 299 HD2 ARG 39 1HD ARG 39 10.772 -23.585 6.604 300 HD3 ARG 39 2HD ARG 39 10.514 -22.457 5.273 301 HE ARG 39 HE ARG 39 13.242 -22.652 5.562 302 HH11 ARG 39 1HH1 ARG 39 10.611 -24.837 4.910 303 HH12 ARG 39 2HH1 ARG 39 11.576 -25.924 3.967 304 HH21 ARG 39 1HH2 ARG 39 14.522 -24.075 4.322 305 HH22 ARG 39 2HH2 ARG 39 13.801 -25.490 3.634 306 H LYS 40 H LYS 40 7.434 -21.961 5.538 307 HA LYS 40 HA LYS 40 5.268 -21.412 7.445 308 HB2 LYS 40 1HB LYS 40 3.816 -22.384 5.598 309 HB3 LYS 40 2HB LYS 40 4.581 -20.837 5.257 310 HG2 LYS 40 1HG LYS 40 5.864 -21.681 3.611 311 HG3 LYS 40 2HG LYS 40 6.095 -23.225 4.434 312 HD2 LYS 40 1HD LYS 40 4.102 -24.098 3.626 313 HD3 LYS 40 2HD LYS 40 3.418 -22.502 3.305 314 HE2 LYS 40 1HE LYS 40 5.760 -23.662 1.804 315 HE3 LYS 40 2HE LYS 40 4.087 -23.799 1.267 316 HZ1 LYS 40 3HZ LYS 40 5.563 -21.258 1.702 317 HZ2 LYS 40 1HZ LYS 40 3.954 -21.386 1.194 318 HZ3 LYS 40 2HZ LYS 40 5.202 -21.947 0.199 319 H GLU 41 H GLU 41 5.169 -22.898 9.002 320 HA GLU 41 HA GLU 41 5.600 -25.719 8.278 321 HB2 GLU 41 1HB GLU 41 6.349 -24.104 10.611 322 HB3 GLU 41 2HB GLU 41 5.631 -25.655 11.021 323 HG2 GLU 41 1HG GLU 41 7.979 -25.956 10.931 324 HG3 GLU 41 2HG GLU 41 7.292 -26.739 9.509 325 H GLU 42 H GLU 42 4.286 -27.306 9.495 326 HA GLU 42 HA GLU 42 1.517 -26.632 9.310 327 HB2 GLU 42 1HB GLU 42 1.080 -28.917 9.783 328 HB3 GLU 42 2HB GLU 42 2.532 -28.888 8.792 329 HG2 GLU 42 1HG GLU 42 3.911 -29.198 10.766 330 HG3 GLU 42 2HG GLU 42 2.475 -29.173 11.788 331 H GLN 43 H GLN 43 3.848 -26.626 11.840 332 HA GLN 43 HA GLN 43 1.847 -26.651 13.950 333 HB2 GLN 43 1HB GLN 43 4.854 -26.364 14.041 334 HB3 GLN 43 2HB GLN 43 3.816 -26.408 15.460 335 HG2 GLN 43 1HG GLN 43 3.006 -28.666 14.360 336 HG3 GLN 43 2HG GLN 43 4.599 -28.589 13.610 337 HE21 GLN 43 2HE2 GLN 43 2.870 -29.535 16.303 338 HE22 GLN 43 1HE2 GLN 43 4.190 -29.812 17.382 339 H TRP 44 H TRP 44 4.633 -24.493 13.484 340 HA TRP 44 HA TRP 44 2.825 -22.209 13.930 341 HB2 TRP 44 1HB TRP 44 4.827 -21.113 15.058 342 HB3 TRP 44 2HB TRP 44 4.052 -22.420 15.948 343 HD1 TRP 44 HD1 TRP 44 7.024 -22.147 13.447 344 HE1 TRP 44 HE1 TRP 44 8.912 -23.670 14.308 345 HE3 TRP 44 HE3 TRP 44 4.715 -24.036 17.599 346 HZ2 TRP 44 HZ2 TRP 44 9.363 -25.438 16.461 347 HZ3 TRP 44 HZ3 TRP 44 5.944 -25.638 19.006 348 HH2 TRP 44 HH2 TRP 44 8.219 -26.324 18.446 349 H TRP 45 H TRP 45 3.549 -20.174 13.019 350 HA TRP 45 HA TRP 45 5.086 -20.599 10.551 351 HB2 TRP 45 1HB TRP 45 2.598 -19.522 10.856 352 HB3 TRP 45 2HB TRP 45 3.599 -18.073 10.860 353 HD1 TRP 45 HD1 TRP 45 5.718 -18.743 8.683 354 HE1 TRP 45 HE1 TRP 45 5.039 -18.991 6.212 355 HE3 TRP 45 HE3 TRP 45 0.743 -19.743 9.303 356 HZ2 TRP 45 HZ2 TRP 45 2.704 -19.537 4.723 357 HZ3 TRP 45 HZ3 TRP 45 -0.644 -20.115 7.305 358 HH2 TRP 45 HH2 TRP 45 0.319 -20.013 5.063 359 H TRP 46 H TRP 46 6.886 -19.437 10.102 360 HA TRP 46 HA TRP 46 8.080 -17.959 12.284 361 HB2 TRP 46 1HB TRP 46 9.020 -19.106 9.705 362 HB3 TRP 46 2HB TRP 46 9.917 -17.733 10.349 363 HD1 TRP 46 HD1 TRP 46 8.608 -21.108 11.785 364 HE1 TRP 46 HE1 TRP 46 10.449 -22.081 13.298 365 HE3 TRP 46 HE3 TRP 46 12.078 -17.381 11.338 366 HZ2 TRP 46 HZ2 TRP 46 13.031 -21.362 14.185 367 HZ3 TRP 46 HZ3 TRP 46 14.208 -17.600 12.551 368 HH2 TRP 46 HH2 TRP 46 14.672 -19.550 13.945 369 H ALA 47 H ALA 47 7.840 -15.848 12.545 370 HA ALA 47 HA ALA 47 7.279 -14.190 10.172 371 HB1 ALA 47 1HB ALA 47 6.464 -13.563 13.003 372 HB2 ALA 47 2HB ALA 47 5.965 -12.735 11.528 373 HB3 ALA 47 3HB ALA 47 5.423 -14.384 11.839 374 H THR 48 H THR 48 8.399 -12.295 9.889 375 HA THR 48 HA THR 48 10.505 -11.682 11.854 376 HB THR 48 HB THR 48 10.861 -11.590 8.852 377 HG1 THR 48 HG1 THR 48 11.505 -13.517 10.805 378 HG21 THR 48 3HG2 THR 48 12.214 -10.218 10.862 379 HG22 THR 48 1HG2 THR 48 12.760 -10.469 9.205 380 HG23 THR 48 2HG2 THR 48 13.258 -11.586 10.476 381 H LEU 49 H LEU 49 10.413 -9.656 12.551 382 HA LEU 49 HA LEU 49 8.729 -7.733 11.175 383 HB2 LEU 49 1HB LEU 49 9.207 -8.248 13.811 384 HB3 LEU 49 2HB LEU 49 10.225 -6.837 13.530 385 HG LEU 49 HG LEU 49 7.239 -7.025 13.152 386 HD11 LEU 49 1HD1 LEU 49 8.124 -6.822 15.481 387 HD12 LEU 49 2HD1 LEU 49 7.096 -5.486 14.964 388 HD13 LEU 49 3HD1 LEU 49 8.848 -5.285 15.009 389 HD21 LEU 49 3HD2 LEU 49 8.305 -5.651 11.402 390 HD22 LEU 49 1HD2 LEU 49 9.061 -4.673 12.659 391 HD23 LEU 49 2HD2 LEU 49 7.305 -4.698 12.500 392 H LEU 50 H LEU 50 9.470 -6.272 9.794 393 HA LEU 50 HA LEU 50 12.339 -5.604 9.865 394 HB2 LEU 50 1HB LEU 50 10.804 -5.080 7.402 395 HB3 LEU 50 2HB LEU 50 12.454 -5.664 7.608 396 HG LEU 50 HG LEU 50 9.960 -7.337 7.910 397 HD11 LEU 50 1HD1 LEU 50 10.481 -8.297 5.804 398 HD12 LEU 50 2HD1 LEU 50 12.011 -7.427 5.711 399 HD13 LEU 50 3HD1 LEU 50 10.488 -6.547 5.585 400 HD21 LEU 50 3HD2 LEU 50 12.769 -8.351 7.680 401 HD22 LEU 50 1HD2 LEU 50 11.331 -9.173 8.287 402 HD23 LEU 50 2HD2 LEU 50 12.092 -7.903 9.246 403 H ASP 51 H ASP 51 12.881 -3.420 9.063 404 HA ASP 51 HA ASP 51 11.260 -1.458 10.372 405 HB2 ASP 51 1HB ASP 51 13.890 -1.593 9.917 406 HB3 ASP 51 2HB ASP 51 13.434 -0.622 8.520 407 H GLU 52 H GLU 52 11.020 0.735 9.054 408 HA GLU 52 HA GLU 52 8.957 0.322 7.204 409 HB2 GLU 52 1HB GLU 52 9.124 2.744 6.760 410 HB3 GLU 52 2HB GLU 52 9.125 2.380 8.479 411 HG2 GLU 52 1HG GLU 52 11.592 2.600 8.476 412 HG3 GLU 52 2HG GLU 52 11.506 3.097 6.787 413 H ALA 53 H ALA 53 12.388 0.514 6.800 414 HA ALA 53 HA ALA 53 12.242 0.959 3.939 415 HB1 ALA 53 1HB ALA 53 14.069 1.923 5.291 416 HB2 ALA 53 2HB ALA 53 14.641 0.291 5.639 417 HB3 ALA 53 3HB ALA 53 14.655 0.896 3.982 418 H GLY 54 H GLY 54 12.207 -1.695 6.094 419 HA2 GLY 54 1HA GLY 54 11.509 -3.835 5.143 420 HA3 GLY 54 2HA GLY 54 12.615 -3.525 3.812 421 H GLY 55 H GLY 55 14.409 -2.432 6.175 422 HA2 GLY 55 1HA GLY 55 16.087 -4.706 6.292 423 HA3 GLY 55 2HA GLY 55 16.254 -3.254 7.269 424 H ALA 56 H ALA 56 15.838 -6.494 7.437 425 HA ALA 56 HA ALA 56 13.874 -7.009 9.298 426 HB1 ALA 56 1HB ALA 56 16.566 -8.273 8.879 427 HB2 ALA 56 2HB ALA 56 15.416 -8.880 10.071 428 HB3 ALA 56 3HB ALA 56 14.984 -8.855 8.361 429 H VAL 57 H VAL 57 13.757 -7.046 11.538 430 HA VAL 57 HA VAL 57 15.895 -5.616 12.974 431 HB VAL 57 HB VAL 57 12.959 -5.310 13.592 432 HG11 VAL 57 1HG1 VAL 57 15.491 -4.180 14.675 433 HG12 VAL 57 2HG1 VAL 57 14.043 -3.171 14.675 434 HG13 VAL 57 3HG1 VAL 57 14.042 -4.718 15.522 435 HG21 VAL 57 3HG2 VAL 57 13.084 -3.112 12.533 436 HG22 VAL 57 1HG2 VAL 57 14.745 -3.440 12.038 437 HG23 VAL 57 2HG2 VAL 57 13.420 -4.395 11.371 438 H ALA 58 H ALA 58 12.879 -7.398 13.667 439 HA ALA 58 HA ALA 58 14.385 -8.966 15.659 440 HB1 ALA 58 1HB ALA 58 12.610 -8.909 17.155 441 HB2 ALA 58 2HB ALA 58 12.623 -7.274 16.492 442 HB3 ALA 58 3HB ALA 58 11.446 -8.452 15.911 443 H GLN 59 H GLN 59 13.638 -11.147 16.015 444 HA GLN 59 HA GLN 59 12.044 -12.266 13.815 445 HB2 GLN 59 1HB GLN 59 14.600 -13.490 14.866 446 HB3 GLN 59 2HB GLN 59 13.591 -14.120 13.570 447 HG2 GLN 59 1HG GLN 59 14.078 -12.041 12.282 448 HG3 GLN 59 2HG GLN 59 15.226 -11.597 13.544 449 HE21 GLN 59 2HE2 GLN 59 16.883 -11.621 11.973 450 HE22 GLN 59 1HE2 GLN 59 17.567 -13.108 11.422 451 H GLY 60 H GLY 60 10.496 -13.623 14.465 452 HA2 GLY 60 1HA GLY 60 10.798 -15.307 16.776 453 HA3 GLY 60 2HA GLY 60 9.690 -13.970 17.050 454 H TYR 61 H TYR 61 9.462 -17.024 16.705 455 HA TYR 61 HA TYR 61 7.563 -17.126 14.485 456 HB2 TYR 61 1HB TYR 61 7.706 -19.489 14.618 457 HB3 TYR 61 2HB TYR 61 9.350 -18.902 14.845 458 HD1 TYR 61 HD1 TYR 61 6.454 -20.449 16.491 459 HD2 TYR 61 HD2 TYR 61 10.483 -19.166 16.959 460 HE1 TYR 61 HE1 TYR 61 6.604 -21.709 18.597 461 HE2 TYR 61 HE2 TYR 61 10.645 -20.423 19.066 462 HH TYR 61 HH TYR 61 8.391 -22.738 20.004 463 H VAL 62 H VAL 62 5.434 -17.952 14.758 464 HA VAL 62 HA VAL 62 4.372 -18.222 17.443 465 HB VAL 62 HB VAL 62 2.518 -16.542 16.872 466 HG11 VAL 62 1HG1 VAL 62 4.525 -16.322 18.501 467 HG12 VAL 62 2HG1 VAL 62 5.153 -15.192 17.300 468 HG13 VAL 62 3HG1 VAL 62 3.597 -14.884 18.073 469 HG21 VAL 62 3HG2 VAL 62 3.611 -16.390 14.459 470 HG22 VAL 62 1HG2 VAL 62 2.774 -15.022 15.193 471 HG23 VAL 62 2HG2 VAL 62 4.536 -15.104 15.234 472 HA PRO 63 HA PRO 63 1.587 -20.998 15.492 473 HB2 PRO 63 1HB PRO 63 -0.607 -20.767 17.074 474 HB3 PRO 63 2HB PRO 63 0.873 -21.581 17.597 475 HG2 PRO 63 1HG PRO 63 -0.070 -18.802 18.189 476 HG3 PRO 63 2HG PRO 63 0.671 -19.988 19.279 477 HD2 PRO 63 1HD PRO 63 2.069 -17.944 18.183 478 HD3 PRO 63 2HD PRO 63 2.804 -19.519 18.543 479 H HIS 64 H HIS 64 -0.181 -21.128 14.099 480 HA HIS 64 HA HIS 64 -0.870 -18.791 12.700 481 HB2 HIS 64 1HB HIS 64 -2.460 -21.356 12.666 482 HB3 HIS 64 2HB HIS 64 -2.298 -20.168 11.376 483 HD1 HIS 64 HD1 HIS 64 0.915 -20.026 11.766 484 HD2 HIS 64 HD2 HIS 64 -1.408 -23.400 11.075 485 HE1 HIS 64 HE1 HIS 64 2.473 -21.718 10.751 486 H ASN 65 H ASN 65 -2.207 -20.242 15.516 487 HA ASN 65 HA ASN 65 -4.820 -19.105 15.316 488 HB2 ASN 65 1HB ASN 65 -4.096 -21.121 16.728 489 HB3 ASN 65 2HB ASN 65 -3.478 -19.942 17.881 490 HD21 ASN 65 2HD2 ASN 65 -6.398 -20.781 16.068 491 HD22 ASN 65 1HD2 ASN 65 -7.510 -20.316 17.306 492 H TYR 66 H TYR 66 -1.828 -17.751 15.869 493 HA TYR 66 HA TYR 66 -2.861 -15.624 17.599 494 HB2 TYR 66 1HB TYR 66 -0.537 -16.894 17.820 495 HB3 TYR 66 2HB TYR 66 -0.028 -15.666 16.667 496 HD1 TYR 66 HD1 TYR 66 0.006 -13.303 17.298 497 HD2 TYR 66 HD2 TYR 66 -1.091 -16.313 20.098 498 HE1 TYR 66 HE1 TYR 66 0.303 -11.695 19.134 499 HE2 TYR 66 HE2 TYR 66 -0.798 -14.713 21.942 500 HH TYR 66 HH TYR 66 -0.308 -11.331 21.380 501 H LEU 67 H LEU 67 -0.686 -15.730 14.772 502 HA LEU 67 HA LEU 67 -1.719 -13.137 13.923 503 HB2 LEU 67 1HB LEU 67 0.201 -12.870 12.694 504 HB3 LEU 67 2HB LEU 67 0.773 -13.852 14.040 505 HG LEU 67 HG LEU 67 0.049 -14.953 11.327 506 HD11 LEU 67 1HD1 LEU 67 2.491 -13.670 12.322 507 HD12 LEU 67 2HD1 LEU 67 1.941 -13.947 10.669 508 HD13 LEU 67 3HD1 LEU 67 2.737 -15.243 11.563 509 HD21 LEU 67 3HD2 LEU 67 1.004 -16.106 13.886 510 HD22 LEU 67 1HD2 LEU 67 1.682 -16.760 12.395 511 HD23 LEU 67 2HD2 LEU 67 -0.062 -16.791 12.659 512 H ALA 68 H ALA 68 -2.215 -12.789 11.623 513 HA ALA 68 HA ALA 68 -3.138 -15.174 10.197 514 HB1 ALA 68 1HB ALA 68 -5.054 -14.348 11.498 515 HB2 ALA 68 2HB ALA 68 -4.903 -12.781 10.700 516 HB3 ALA 68 3HB ALA 68 -5.319 -14.213 9.759 517 H GLU 69 H GLU 69 -3.232 -14.957 7.960 518 HA GLU 69 HA GLU 69 -1.483 -13.009 6.840 519 HB2 GLU 69 1HB GLU 69 -1.807 -14.121 4.768 520 HB3 GLU 69 2HB GLU 69 -1.812 -15.370 6.005 521 HG2 GLU 69 1HG GLU 69 -4.358 -15.152 5.955 522 HG3 GLU 69 2HG GLU 69 -4.121 -14.271 4.447 523 H ARG 70 H ARG 70 -1.928 -11.299 5.463 524 HA ARG 70 HA ARG 70 -4.693 -10.306 5.593 525 HB2 ARG 70 1HB ARG 70 -2.047 -8.884 5.338 526 HB3 ARG 70 2HB ARG 70 -3.580 -8.079 5.030 527 HG2 ARG 70 1HG ARG 70 -3.233 -9.524 7.604 528 HG3 ARG 70 2HG ARG 70 -2.422 -7.972 7.384 529 HD2 ARG 70 1HD ARG 70 -4.415 -7.257 8.244 530 HD3 ARG 70 2HD ARG 70 -4.801 -7.237 6.524 531 HE ARG 70 HE ARG 70 -5.426 -9.744 7.729 532 HH11 ARG 70 1HH1 ARG 70 -6.554 -6.477 7.311 533 HH12 ARG 70 2HH1 ARG 70 -8.224 -6.890 7.513 534 HH21 ARG 70 1HH2 ARG 70 -7.622 -10.300 7.997 535 HH22 ARG 70 2HH2 ARG 70 -8.831 -9.064 7.904 536 H GLU 71 H GLU 71 -5.599 -11.223 3.790 537 HA GLU 71 HA GLU 71 -4.259 -11.056 1.227 538 HB2 GLU 71 1HB GLU 71 -6.938 -12.158 2.074 539 HB3 GLU 71 2HB GLU 71 -6.399 -12.129 0.401 540 HG2 GLU 71 1HG GLU 71 -4.604 -13.610 0.864 541 HG3 GLU 71 2HG GLU 71 -4.858 -13.472 2.602 542 H THR 72 H THR 72 -4.555 -9.530 -0.265 543 HA THR 72 HA THR 72 -6.858 -7.715 0.020 544 HB THR 72 HB THR 72 -5.357 -5.883 -0.847 545 HG1 THR 72 HG1 THR 72 -3.227 -6.234 -0.998 546 HG21 THR 72 3HG2 THR 72 -5.107 -5.210 1.275 547 HG22 THR 72 1HG2 THR 72 -4.043 -6.561 1.664 548 HG23 THR 72 2HG2 THR 72 -5.794 -6.769 1.731 Start of MODEL 13 1 H1 MET 1 H MET 1 -1.538 -21.956 -23.000 2 HA MET 1 HA MET 1 -3.579 -22.512 -20.965 3 HB2 MET 1 1HB MET 1 -2.013 -24.095 -19.861 4 HB3 MET 1 2HB MET 1 -2.573 -24.654 -21.431 5 HG2 MET 1 1HG MET 1 -0.403 -23.629 -22.341 6 HG3 MET 1 2HG MET 1 0.123 -23.619 -20.659 7 HE1 MET 1 3HE MET 1 2.128 -26.620 -22.049 8 HE2 MET 1 1HE MET 1 1.955 -24.897 -22.382 9 HE3 MET 1 2HE MET 1 2.159 -25.458 -20.723 10 H VAL 2 H VAL 2 -3.488 -21.069 -19.382 11 HA VAL 2 HA VAL 2 -0.945 -19.654 -18.915 12 HB VAL 2 HB VAL 2 -3.748 -18.665 -18.368 13 HG11 VAL 2 1HG1 VAL 2 -2.257 -16.464 -18.252 14 HG12 VAL 2 2HG1 VAL 2 -2.559 -17.475 -16.837 15 HG13 VAL 2 3HG1 VAL 2 -1.044 -17.631 -17.727 16 HG21 VAL 2 3HG2 VAL 2 -3.749 -18.274 -20.578 17 HG22 VAL 2 1HG2 VAL 2 -2.640 -16.959 -20.188 18 HG23 VAL 2 2HG2 VAL 2 -2.008 -18.518 -20.719 19 H SER 3 H SER 3 -0.121 -19.544 -16.887 20 HA SER 3 HA SER 3 -1.221 -21.352 -14.920 21 HB2 SER 3 1HB SER 3 1.227 -21.217 -15.370 22 HB3 SER 3 2HB SER 3 1.225 -19.578 -14.722 23 HG SER 3 HG SER 3 1.552 -20.553 -12.889 24 H ARG 4 H ARG 4 -3.207 -20.023 -14.685 25 HA ARG 4 HA ARG 4 -2.995 -17.489 -13.342 26 HB2 ARG 4 1HB ARG 4 -5.335 -19.291 -13.965 27 HB3 ARG 4 2HB ARG 4 -5.501 -17.764 -13.109 28 HG2 ARG 4 1HG ARG 4 -4.497 -16.617 -15.064 29 HG3 ARG 4 2HG ARG 4 -4.498 -18.161 -15.918 30 HD2 ARG 4 1HD ARG 4 -6.985 -16.957 -14.732 31 HD3 ARG 4 2HD ARG 4 -6.450 -16.607 -16.375 32 HE ARG 4 HE ARG 4 -6.545 -19.386 -16.035 33 HH11 ARG 4 1HH1 ARG 4 -8.687 -16.647 -16.212 34 HH12 ARG 4 2HH1 ARG 4 -10.013 -17.561 -16.853 35 HH21 ARG 4 1HH2 ARG 4 -8.283 -20.599 -16.878 36 HH22 ARG 4 2HH2 ARG 4 -9.782 -19.808 -17.230 37 H ASP 5 H ASP 5 -3.402 -20.826 -12.426 38 HA ASP 5 HA ASP 5 -4.457 -20.603 -9.880 39 HB2 ASP 5 1HB ASP 5 -2.382 -22.529 -10.941 40 HB3 ASP 5 2HB ASP 5 -3.174 -22.708 -9.378 41 H GLN 6 H GLN 6 -3.550 -20.447 -7.804 42 HA GLN 6 HA GLN 6 -0.970 -19.034 -7.744 43 HB2 GLN 6 1HB GLN 6 -1.776 -18.149 -5.538 44 HB3 GLN 6 2HB GLN 6 -2.721 -17.628 -6.927 45 HG2 GLN 6 1HG GLN 6 -3.607 -20.047 -5.451 46 HG3 GLN 6 2HG GLN 6 -3.860 -18.468 -4.709 47 HE21 GLN 6 2HE2 GLN 6 -5.176 -16.943 -5.790 48 HE22 GLN 6 1HE2 GLN 6 -6.358 -17.450 -6.944 49 H ALA 7 H ALA 7 0.613 -19.618 -6.283 50 HA ALA 7 HA ALA 7 0.524 -22.362 -5.393 51 HB1 ALA 7 1HB ALA 7 2.610 -21.915 -6.212 52 HB2 ALA 7 2HB ALA 7 2.619 -20.261 -5.597 53 HB3 ALA 7 3HB ALA 7 2.884 -21.613 -4.496 54 H HIS 8 H HIS 8 0.752 -19.161 -3.885 55 HA HIS 8 HA HIS 8 -0.617 -20.025 -1.548 56 HB2 HIS 8 1HB HIS 8 1.704 -20.973 -1.195 57 HB3 HIS 8 2HB HIS 8 2.287 -19.313 -1.122 58 HD1 HIS 8 HD1 HIS 8 -0.302 -21.466 0.656 59 HD2 HIS 8 HD2 HIS 8 2.296 -18.307 1.387 60 HE1 HIS 8 HE1 HIS 8 -0.503 -20.985 3.116 61 H LEU 9 H LEU 9 -1.481 -18.318 -0.480 62 HA LEU 9 HA LEU 9 -0.590 -15.638 -1.322 63 HB2 LEU 9 1HB LEU 9 -3.283 -16.825 -0.929 64 HB3 LEU 9 2HB LEU 9 -3.065 -15.128 -0.506 65 HG LEU 9 HG LEU 9 -2.346 -14.652 -2.799 66 HD11 LEU 9 1HD1 LEU 9 -2.637 -17.611 -3.072 67 HD12 LEU 9 2HD1 LEU 9 -1.352 -16.550 -3.648 68 HD13 LEU 9 3HD1 LEU 9 -2.914 -16.566 -4.466 69 HD21 LEU 9 3HD2 LEU 9 -4.477 -14.690 -3.768 70 HD22 LEU 9 1HD2 LEU 9 -4.783 -14.667 -2.031 71 HD23 LEU 9 2HD2 LEU 9 -4.929 -16.176 -2.932 72 H GLY 10 H GLY 10 -0.246 -14.088 0.209 73 HA2 GLY 10 1HA GLY 10 -1.058 -13.528 2.617 74 HA3 GLY 10 2HA GLY 10 -0.234 -15.035 2.990 75 HA PRO 11 HA PRO 11 3.135 -11.833 1.586 76 HB2 PRO 11 1HB PRO 11 2.344 -9.236 1.584 77 HB3 PRO 11 2HB PRO 11 2.236 -10.273 0.157 78 HG2 PRO 11 1HG PRO 11 0.101 -9.518 2.115 79 HG3 PRO 11 2HG PRO 11 0.014 -9.613 0.347 80 HD2 PRO 11 1HD PRO 11 -0.938 -11.568 1.959 81 HD3 PRO 11 2HD PRO 11 -0.250 -11.903 0.357 82 H LYS 12 H LYS 12 1.407 -9.322 3.283 83 HA LYS 12 HA LYS 12 3.301 -9.441 5.460 84 HB2 LYS 12 1HB LYS 12 1.162 -7.554 4.584 85 HB3 LYS 12 2HB LYS 12 1.679 -7.502 6.264 86 HG2 LYS 12 1HG LYS 12 2.918 -5.876 5.029 87 HG3 LYS 12 2HG LYS 12 4.011 -7.185 5.484 88 HD2 LYS 12 1HD LYS 12 4.420 -6.530 3.188 89 HD3 LYS 12 2HD LYS 12 3.739 -8.158 3.233 90 HE2 LYS 12 1HE LYS 12 1.574 -7.330 2.610 91 HE3 LYS 12 2HE LYS 12 2.120 -5.660 2.754 92 HZ1 LYS 12 3HZ LYS 12 2.153 -7.224 0.487 93 HZ2 LYS 12 1HZ LYS 12 3.773 -7.113 0.963 94 HZ3 LYS 12 2HZ LYS 12 2.875 -5.707 0.685 95 H TYR 13 H TYR 13 2.483 -9.238 7.742 96 HA TYR 13 HA TYR 13 0.005 -10.728 8.213 97 HB2 TYR 13 1HB TYR 13 2.755 -11.499 9.154 98 HB3 TYR 13 2HB TYR 13 1.321 -11.983 10.053 99 HD1 TYR 13 HD2 TYR 13 -0.419 -13.392 8.886 100 HD2 TYR 13 HD1 TYR 13 3.427 -12.666 7.218 101 HE1 TYR 13 HE2 TYR 13 -0.709 -15.324 7.392 102 HE2 TYR 13 HE1 TYR 13 3.148 -14.595 5.719 103 HH TYR 13 HH TYR 13 1.086 -16.967 6.138 104 H VAL 14 H VAL 14 -1.139 -10.028 9.929 105 HA VAL 14 HA VAL 14 0.163 -8.332 11.928 106 HB VAL 14 HB VAL 14 -2.234 -7.508 10.293 107 HG11 VAL 14 1HG1 VAL 14 -1.160 -6.331 12.851 108 HG12 VAL 14 2HG1 VAL 14 -2.296 -5.507 11.780 109 HG13 VAL 14 3HG1 VAL 14 -2.764 -7.011 12.574 110 HG21 VAL 14 3HG2 VAL 14 0.594 -6.787 10.348 111 HG22 VAL 14 1HG2 VAL 14 -0.618 -6.533 9.091 112 HG23 VAL 14 2HG2 VAL 14 -0.488 -5.397 10.433 113 H GLY 15 H GLY 15 -0.675 -8.516 13.954 114 HA2 GLY 15 1HA GLY 15 -3.167 -9.090 14.834 115 HA3 GLY 15 2HA GLY 15 -2.547 -10.675 14.394 116 H LEU 16 H LEU 16 -0.905 -7.901 15.885 117 HA LEU 16 HA LEU 16 -0.375 -9.599 18.234 118 HB2 LEU 16 1HB LEU 16 1.449 -7.887 16.616 119 HB3 LEU 16 2HB LEU 16 1.747 -8.047 18.346 120 HG LEU 16 HG LEU 16 3.091 -9.586 16.929 121 HD11 LEU 16 1HD1 LEU 16 2.014 -11.701 18.244 122 HD12 LEU 16 2HD1 LEU 16 1.362 -10.349 19.169 123 HD13 LEU 16 3HD1 LEU 16 3.105 -10.519 18.967 124 HD21 LEU 16 3HD2 LEU 16 2.172 -11.238 15.622 125 HD22 LEU 16 1HD2 LEU 16 1.018 -9.928 15.369 126 HD23 LEU 16 2HD2 LEU 16 0.640 -11.230 16.497 127 H TRP 17 H TRP 17 -2.498 -8.349 18.715 128 HA TRP 17 HA TRP 17 -2.559 -5.636 19.275 129 HB2 TRP 17 1HB TRP 17 -4.469 -7.351 19.349 130 HB3 TRP 17 2HB TRP 17 -3.949 -7.679 21.000 131 HD1 TRP 17 HD1 TRP 17 -4.320 -4.232 19.257 132 HE1 TRP 17 HE1 TRP 17 -5.927 -2.802 20.670 133 HE3 TRP 17 HE3 TRP 17 -5.594 -7.696 22.795 134 HZ2 TRP 17 HZ2 TRP 17 -7.524 -3.102 22.978 135 HZ3 TRP 17 HZ3 TRP 17 -7.166 -7.045 24.571 136 HH2 TRP 17 HH2 TRP 17 -8.110 -4.794 24.660 137 H ASP 18 H ASP 18 -0.864 -4.717 20.306 138 HA ASP 18 HA ASP 18 0.755 -4.351 21.898 139 HB2 ASP 18 1HB ASP 18 -0.233 -4.058 24.171 140 HB3 ASP 18 2HB ASP 18 -1.151 -3.258 22.898 141 H PHE 19 H PHE 19 1.628 -6.563 21.207 142 HA PHE 19 HA PHE 19 1.783 -8.271 23.600 143 HB2 PHE 19 1HB PHE 19 0.496 -9.151 21.474 144 HB3 PHE 19 2HB PHE 19 2.123 -9.457 20.875 145 HD1 PHE 19 HD1 PHE 19 0.454 -9.867 24.189 146 HD2 PHE 19 HD2 PHE 19 2.669 -11.674 21.036 147 HE1 PHE 19 HE1 PHE 19 0.513 -11.981 25.447 148 HE2 PHE 19 HE2 PHE 19 2.730 -13.791 22.287 149 HZ PHE 19 HZ PHE 19 1.651 -13.947 24.496 150 H LYS 20 H LYS 20 3.763 -8.310 24.406 151 HA LYS 20 HA LYS 20 6.053 -8.199 22.567 152 HB2 LYS 20 1HB LYS 20 6.010 -6.758 25.216 153 HB3 LYS 20 2HB LYS 20 7.221 -6.642 23.945 154 HG2 LYS 20 1HG LYS 20 4.368 -5.731 23.647 155 HG3 LYS 20 2HG LYS 20 5.710 -4.678 24.104 156 HD2 LYS 20 1HD LYS 20 5.957 -6.337 21.639 157 HD3 LYS 20 2HD LYS 20 4.944 -4.892 21.594 158 HE2 LYS 20 1HE LYS 20 7.647 -4.632 22.787 159 HE3 LYS 20 2HE LYS 20 7.551 -4.841 21.039 160 HZ1 LYS 20 3HZ LYS 20 6.431 -2.864 20.776 161 HZ2 LYS 20 1HZ LYS 20 7.487 -2.479 22.040 162 HZ3 LYS 20 2HZ LYS 20 5.865 -2.828 22.369 163 H SER 21 H SER 21 7.395 -9.846 22.860 164 HA SER 21 HA SER 21 7.479 -11.136 25.509 165 HB2 SER 21 1HB SER 21 7.370 -12.372 22.766 166 HB3 SER 21 2HB SER 21 8.041 -13.256 24.137 167 HG SER 21 HG SER 21 5.920 -12.566 25.168 168 H ARG 22 H ARG 22 9.471 -11.912 26.219 169 HA ARG 22 HA ARG 22 11.778 -10.754 24.821 170 HB2 ARG 22 1HB ARG 22 11.440 -11.639 27.691 171 HB3 ARG 22 2HB ARG 22 12.946 -11.040 27.009 172 HG2 ARG 22 1HG ARG 22 12.180 -9.114 27.920 173 HG3 ARG 22 2HG ARG 22 11.393 -8.997 26.345 174 HD2 ARG 22 1HD ARG 22 9.812 -8.491 28.112 175 HD3 ARG 22 2HD ARG 22 9.362 -9.991 27.302 176 HE ARG 22 HE ARG 22 10.921 -10.694 29.481 177 HH11 ARG 22 1HH1 ARG 22 7.880 -9.105 28.893 178 HH12 ARG 22 2HH1 ARG 22 7.175 -9.616 30.391 179 HH21 ARG 22 1HH2 ARG 22 10.004 -11.372 31.456 180 HH22 ARG 22 2HH2 ARG 22 8.384 -10.904 31.849 181 H THR 23 H THR 23 10.828 -13.059 23.691 182 HA THR 23 HA THR 23 13.023 -14.916 24.253 183 HB THR 23 HB THR 23 11.438 -16.846 23.903 184 HG1 THR 23 HG1 THR 23 9.723 -15.396 23.070 185 HG21 THR 23 3HG2 THR 23 10.970 -17.036 26.164 186 HG22 THR 23 1HG2 THR 23 10.593 -15.323 26.337 187 HG23 THR 23 2HG2 THR 23 12.269 -15.844 26.161 188 H ASP 24 H ASP 24 13.640 -16.224 22.483 189 HA ASP 24 HA ASP 24 13.372 -14.972 19.952 190 HB2 ASP 24 1HB ASP 24 14.493 -17.686 20.684 191 HB3 ASP 24 2HB ASP 24 14.668 -16.915 19.110 192 H GLU 25 H GLU 25 11.503 -17.308 21.600 193 HA GLU 25 HA GLU 25 10.359 -18.476 19.212 194 HB2 GLU 25 1HB GLU 25 8.858 -19.645 20.845 195 HB3 GLU 25 2HB GLU 25 10.574 -19.935 21.093 196 HG2 GLU 25 1HG GLU 25 10.622 -18.830 23.072 197 HG3 GLU 25 2HG GLU 25 9.343 -17.710 22.606 198 H GLU 26 H GLU 26 10.053 -15.543 20.485 199 HA GLU 26 HA GLU 26 7.354 -15.218 19.439 200 HB2 GLU 26 1HB GLU 26 8.164 -14.426 22.238 201 HB3 GLU 26 2HB GLU 26 6.731 -13.806 21.431 202 HG2 GLU 26 1HG GLU 26 6.061 -16.254 21.136 203 HG3 GLU 26 2HG GLU 26 7.308 -16.603 22.331 204 H LEU 27 H LEU 27 6.810 -12.990 18.982 205 HA LEU 27 HA LEU 27 9.179 -11.457 18.251 206 HB2 LEU 27 1HB LEU 27 6.308 -10.846 17.593 207 HB3 LEU 27 2HB LEU 27 7.750 -10.200 16.814 208 HG LEU 27 HG LEU 27 6.563 -12.950 16.562 209 HD11 LEU 27 1HD1 LEU 27 6.887 -12.302 14.108 210 HD12 LEU 27 2HD1 LEU 27 7.121 -10.660 14.707 211 HD13 LEU 27 3HD1 LEU 27 5.599 -11.499 15.007 212 HD21 LEU 27 3HD2 LEU 27 8.527 -13.547 15.212 213 HD22 LEU 27 1HD2 LEU 27 8.946 -13.252 16.900 214 HD23 LEU 27 2HD2 LEU 27 9.297 -12.029 15.678 215 H SER 28 H SER 28 9.311 -9.166 18.654 216 HA SER 28 HA SER 28 7.840 -8.325 21.066 217 HB2 SER 28 1HB SER 28 9.897 -7.052 21.709 218 HB3 SER 28 2HB SER 28 10.125 -8.801 21.701 219 HG SER 28 HG SER 28 11.163 -8.617 19.712 220 H PHE 29 H PHE 29 6.309 -7.250 19.744 221 HA PHE 29 HA PHE 29 7.071 -4.560 19.084 222 HB2 PHE 29 1HB PHE 29 7.305 -6.385 17.026 223 HB3 PHE 29 2HB PHE 29 5.699 -5.711 16.770 224 HD1 PHE 29 HD1 PHE 29 5.419 -3.298 16.371 225 HD2 PHE 29 HD2 PHE 29 9.265 -5.101 16.638 226 HE1 PHE 29 HE1 PHE 29 6.417 -1.317 15.306 227 HE2 PHE 29 HE2 PHE 29 10.270 -3.123 15.574 228 HZ PHE 29 HZ PHE 29 8.846 -1.227 14.907 229 H ARG 30 H ARG 30 5.173 -3.255 18.392 230 HA ARG 30 HA ARG 30 2.810 -4.161 19.845 231 HB2 ARG 30 1HB ARG 30 2.114 -1.868 19.866 232 HB3 ARG 30 2HB ARG 30 3.820 -1.914 20.291 233 HG2 ARG 30 1HG ARG 30 4.430 -1.223 18.053 234 HG3 ARG 30 2HG ARG 30 2.736 -1.259 17.559 235 HD2 ARG 30 1HD ARG 30 3.277 1.010 17.997 236 HD3 ARG 30 2HD ARG 30 2.287 0.451 19.345 237 HE ARG 30 HE ARG 30 4.974 0.080 20.019 238 HH11 ARG 30 1HH1 ARG 30 2.732 2.674 19.411 239 HH12 ARG 30 2HH1 ARG 30 3.541 3.793 20.458 240 HH21 ARG 30 1HH2 ARG 30 6.047 1.544 21.401 241 HH22 ARG 30 2HH2 ARG 30 5.427 3.149 21.589 242 H ALA 31 H ALA 31 0.685 -3.958 18.953 243 HA ALA 31 HA ALA 31 0.317 -5.110 16.473 244 HB1 ALA 31 1HB ALA 31 -1.735 -5.227 17.303 245 HB2 ALA 31 2HB ALA 31 -1.346 -4.012 18.520 246 HB3 ALA 31 3HB ALA 31 -1.957 -3.515 16.943 247 H GLY 32 H GLY 32 -0.436 -4.302 14.455 248 HA2 GLY 32 1HA GLY 32 -0.944 -2.490 12.966 249 HA3 GLY 32 2HA GLY 32 0.000 -1.428 14.000 250 H ASP 33 H ASP 33 2.005 -3.806 14.062 251 HA ASP 33 HA ASP 33 3.600 -2.798 11.874 252 HB2 ASP 33 1HB ASP 33 4.496 -3.347 14.183 253 HB3 ASP 33 2HB ASP 33 4.307 -5.046 13.760 254 H VAL 34 H VAL 34 4.566 -4.127 10.248 255 HA VAL 34 HA VAL 34 2.807 -6.328 9.429 256 HB VAL 34 HB VAL 34 3.928 -6.057 7.195 257 HG11 VAL 34 1HG1 VAL 34 1.751 -4.925 8.038 258 HG12 VAL 34 2HG1 VAL 34 2.713 -3.446 8.001 259 HG13 VAL 34 3HG1 VAL 34 2.478 -4.383 6.526 260 HG21 VAL 34 3HG2 VAL 34 5.732 -4.520 8.647 261 HG22 VAL 34 1HG2 VAL 34 5.655 -4.684 6.892 262 HG23 VAL 34 2HG2 VAL 34 4.822 -3.350 7.691 263 H PHE 35 H PHE 35 3.549 -8.364 9.052 264 HA PHE 35 HA PHE 35 6.417 -8.863 9.491 265 HB2 PHE 35 1HB PHE 35 4.243 -10.718 10.458 266 HB3 PHE 35 2HB PHE 35 5.957 -10.755 10.858 267 HD1 PHE 35 HD1 PHE 35 6.515 -7.985 11.558 268 HD2 PHE 35 HD2 PHE 35 3.120 -10.393 12.447 269 HE1 PHE 35 HE1 PHE 35 6.076 -6.622 13.559 270 HE2 PHE 35 HE2 PHE 35 2.676 -9.034 14.449 271 HZ PHE 35 HZ PHE 35 4.154 -7.145 15.007 272 H HIS 36 H HIS 36 7.104 -11.037 8.681 273 HA HIS 36 HA HIS 36 5.481 -11.999 6.438 274 HB2 HIS 36 1HB HIS 36 7.311 -10.291 5.762 275 HB3 HIS 36 2HB HIS 36 8.440 -11.600 6.092 276 HD1 HIS 36 HD1 HIS 36 8.376 -13.652 4.493 277 HD2 HIS 36 HD2 HIS 36 5.827 -10.551 3.421 278 HE1 HIS 36 HE1 HIS 36 7.668 -14.149 2.132 279 H VAL 37 H VAL 37 6.044 -14.134 5.708 280 HA VAL 37 HA VAL 37 7.239 -15.740 7.856 281 HB VAL 37 HB VAL 37 6.119 -17.669 6.739 282 HG11 VAL 37 1HG1 VAL 37 5.030 -16.690 8.617 283 HG12 VAL 37 2HG1 VAL 37 4.422 -15.350 7.642 284 HG13 VAL 37 3HG1 VAL 37 3.798 -16.981 7.390 285 HG21 VAL 37 3HG2 VAL 37 5.310 -17.470 4.680 286 HG22 VAL 37 1HG2 VAL 37 4.170 -16.247 5.241 287 HG23 VAL 37 2HG2 VAL 37 5.765 -15.766 4.662 288 H ALA 38 H ALA 38 9.164 -16.647 7.581 289 HA ALA 38 HA ALA 38 10.386 -16.601 4.926 290 HB1 ALA 38 1HB ALA 38 12.055 -17.570 7.106 291 HB2 ALA 38 2HB ALA 38 12.331 -16.254 5.964 292 HB3 ALA 38 3HB ALA 38 11.370 -15.974 7.416 293 H ARG 39 H ARG 39 9.276 -18.826 7.379 294 HA ARG 39 HA ARG 39 9.644 -21.031 5.501 295 HB2 ARG 39 1HB ARG 39 11.643 -21.031 6.961 296 HB3 ARG 39 2HB ARG 39 10.595 -21.159 8.368 297 HG2 ARG 39 1HG ARG 39 11.246 -23.341 8.047 298 HG3 ARG 39 2HG ARG 39 9.703 -23.291 7.191 299 HD2 ARG 39 1HD ARG 39 10.893 -22.950 5.078 300 HD3 ARG 39 2HD ARG 39 12.431 -23.007 5.937 301 HE ARG 39 HE ARG 39 10.812 -25.232 5.153 302 HH11 ARG 39 1HH1 ARG 39 13.137 -24.106 7.486 303 HH12 ARG 39 2HH1 ARG 39 13.716 -25.693 7.870 304 HH21 ARG 39 1HH2 ARG 39 11.565 -27.327 5.650 305 HH22 ARG 39 2HH2 ARG 39 12.821 -27.525 6.824 306 H LYS 40 H LYS 40 7.990 -22.445 5.516 307 HA LYS 40 HA LYS 40 5.909 -22.047 7.557 308 HB2 LYS 40 1HB LYS 40 4.427 -23.187 5.827 309 HB3 LYS 40 2HB LYS 40 4.995 -21.569 5.434 310 HG2 LYS 40 1HG LYS 40 6.266 -22.284 3.708 311 HG3 LYS 40 2HG LYS 40 6.667 -23.814 4.492 312 HD2 LYS 40 1HD LYS 40 5.294 -24.330 2.620 313 HD3 LYS 40 2HD LYS 40 4.295 -24.535 4.061 314 HE2 LYS 40 1HE LYS 40 3.138 -22.523 3.668 315 HE3 LYS 40 2HE LYS 40 4.333 -21.970 2.495 316 HZ1 LYS 40 3HZ LYS 40 1.990 -23.213 1.910 317 HZ2 LYS 40 1HZ LYS 40 3.121 -24.462 1.763 318 HZ3 LYS 40 2HZ LYS 40 3.304 -23.045 0.858 319 H GLU 41 H GLU 41 6.050 -23.519 9.122 320 HA GLU 41 HA GLU 41 6.763 -26.280 8.400 321 HB2 GLU 41 1HB GLU 41 7.865 -24.683 10.322 322 HB3 GLU 41 2HB GLU 41 6.668 -25.570 11.254 323 HG2 GLU 41 1HG GLU 41 8.848 -26.658 11.304 324 HG3 GLU 41 2HG GLU 41 7.628 -27.675 10.540 325 H GLU 42 H GLU 42 5.661 -28.010 9.603 326 HA GLU 42 HA GLU 42 2.829 -27.654 9.501 327 HB2 GLU 42 1HB GLU 42 2.667 -29.979 9.931 328 HB3 GLU 42 2HB GLU 42 4.091 -29.771 8.920 329 HG2 GLU 42 1HG GLU 42 5.517 -29.924 10.899 330 HG3 GLU 42 2HG GLU 42 4.088 -30.145 11.907 331 H GLN 43 H GLN 43 5.219 -27.461 11.980 332 HA GLN 43 HA GLN 43 3.228 -27.646 14.108 333 HB2 GLN 43 1HB GLN 43 6.200 -27.723 13.979 334 HB3 GLN 43 2HB GLN 43 5.467 -27.115 15.457 335 HG2 GLN 43 1HG GLN 43 4.257 -29.590 14.521 336 HG3 GLN 43 2HG GLN 43 5.979 -29.743 14.870 337 HE21 GLN 43 2HE2 GLN 43 3.004 -30.055 16.163 338 HE22 GLN 43 1HE2 GLN 43 3.374 -29.821 17.834 339 H TRP 44 H TRP 44 5.996 -25.451 13.712 340 HA TRP 44 HA TRP 44 4.198 -23.221 14.407 341 HB2 TRP 44 1HB TRP 44 6.346 -22.103 15.207 342 HB3 TRP 44 2HB TRP 44 5.755 -23.450 16.175 343 HD1 TRP 44 HD1 TRP 44 8.473 -22.683 13.536 344 HE1 TRP 44 HE1 TRP 44 10.420 -24.329 13.892 345 HE3 TRP 44 HE3 TRP 44 6.412 -25.597 17.196 346 HZ2 TRP 44 HZ2 TRP 44 11.004 -26.567 15.510 347 HZ3 TRP 44 HZ3 TRP 44 7.731 -27.471 18.094 348 HH2 TRP 44 HH2 TRP 44 9.979 -27.944 17.266 349 H TRP 45 H TRP 45 4.701 -21.135 13.465 350 HA TRP 45 HA TRP 45 5.798 -21.426 10.754 351 HB2 TRP 45 1HB TRP 45 3.591 -19.843 11.927 352 HB3 TRP 45 2HB TRP 45 4.546 -19.026 10.693 353 HD1 TRP 45 HD1 TRP 45 4.797 -20.562 8.304 354 HE1 TRP 45 HE1 TRP 45 2.931 -21.861 7.097 355 HE3 TRP 45 HE3 TRP 45 1.495 -21.026 12.179 356 HZ2 TRP 45 HZ2 TRP 45 0.394 -22.939 7.708 357 HZ3 TRP 45 HZ3 TRP 45 -0.629 -22.204 11.785 358 HH2 TRP 45 HH2 TRP 45 -1.166 -23.140 9.594 359 H TRP 46 H TRP 46 7.539 -20.301 10.117 360 HA TRP 46 HA TRP 46 9.004 -18.802 12.099 361 HB2 TRP 46 1HB TRP 46 9.583 -19.688 9.283 362 HB3 TRP 46 2HB TRP 46 10.643 -18.553 10.115 363 HD1 TRP 46 HD1 TRP 46 9.148 -22.070 10.843 364 HE1 TRP 46 HE1 TRP 46 10.960 -23.461 12.030 365 HE3 TRP 46 HE3 TRP 46 12.827 -18.532 11.134 366 HZ2 TRP 46 HZ2 TRP 46 13.599 -23.105 12.966 367 HZ3 TRP 46 HZ3 TRP 46 14.965 -19.137 12.191 368 HH2 TRP 46 HH2 TRP 46 15.341 -21.376 13.087 369 H ALA 47 H ALA 47 8.692 -16.713 12.446 370 HA ALA 47 HA ALA 47 7.789 -15.029 10.201 371 HB1 ALA 47 1HB ALA 47 6.064 -15.027 11.797 372 HB2 ALA 47 2HB ALA 47 7.195 -14.864 13.141 373 HB3 ALA 47 3HB ALA 47 6.926 -13.508 12.046 374 H THR 48 H THR 48 8.613 -12.874 10.080 375 HA THR 48 HA THR 48 11.106 -12.415 11.573 376 HB THR 48 HB THR 48 10.790 -11.817 8.628 377 HG1 THR 48 HG1 THR 48 11.746 -13.709 8.221 378 HG21 THR 48 3HG2 THR 48 12.839 -10.879 8.698 379 HG22 THR 48 1HG2 THR 48 13.453 -12.065 9.848 380 HG23 THR 48 2HG2 THR 48 12.503 -10.693 10.419 381 H LEU 49 H LEU 49 11.113 -10.511 12.561 382 HA LEU 49 HA LEU 49 9.080 -8.545 11.916 383 HB2 LEU 49 1HB LEU 49 10.442 -9.336 14.242 384 HB3 LEU 49 2HB LEU 49 10.940 -7.676 13.923 385 HG LEU 49 HG LEU 49 8.048 -8.496 14.055 386 HD11 LEU 49 1HD1 LEU 49 7.976 -8.285 16.306 387 HD12 LEU 49 2HD1 LEU 49 9.303 -7.124 16.353 388 HD13 LEU 49 3HD1 LEU 49 9.643 -8.845 16.170 389 HD21 LEU 49 3HD2 LEU 49 8.417 -6.394 12.964 390 HD22 LEU 49 1HD2 LEU 49 9.502 -5.862 14.249 391 HD23 LEU 49 2HD2 LEU 49 7.783 -6.076 14.580 392 H LEU 50 H LEU 50 9.442 -7.057 10.419 393 HA LEU 50 HA LEU 50 12.194 -6.081 10.035 394 HB2 LEU 50 1HB LEU 50 10.201 -5.515 7.951 395 HB3 LEU 50 2HB LEU 50 11.882 -6.023 7.806 396 HG LEU 50 HG LEU 50 9.558 -7.845 8.428 397 HD11 LEU 50 1HD1 LEU 50 11.157 -7.726 5.887 398 HD12 LEU 50 2HD1 LEU 50 9.652 -6.833 6.106 399 HD13 LEU 50 3HD1 LEU 50 9.654 -8.594 6.199 400 HD21 LEU 50 3HD2 LEU 50 11.050 -9.626 8.394 401 HD22 LEU 50 1HD2 LEU 50 11.927 -8.387 9.292 402 HD23 LEU 50 2HD2 LEU 50 12.311 -8.685 7.596 403 H ASP 51 H ASP 51 12.379 -3.805 9.332 404 HA ASP 51 HA ASP 51 10.816 -2.117 11.060 405 HB2 ASP 51 1HB ASP 51 13.368 -1.973 10.319 406 HB3 ASP 51 2HB ASP 51 12.687 -0.964 9.045 407 H GLU 52 H GLU 52 10.278 0.163 9.967 408 HA GLU 52 HA GLU 52 8.008 -0.241 8.393 409 HB2 GLU 52 1HB GLU 52 7.883 2.150 8.192 410 HB3 GLU 52 2HB GLU 52 8.453 1.762 9.809 411 HG2 GLU 52 1HG GLU 52 10.798 2.128 8.897 412 HG3 GLU 52 2HG GLU 52 10.014 2.856 7.496 413 H ALA 53 H ALA 53 11.338 0.301 7.511 414 HA ALA 53 HA ALA 53 10.774 0.862 4.745 415 HB1 ALA 53 1HB ALA 53 13.331 0.433 4.588 416 HB2 ALA 53 2HB ALA 53 12.739 1.866 5.429 417 HB3 ALA 53 3HB ALA 53 13.262 0.456 6.350 418 H GLY 54 H GLY 54 11.086 -1.949 6.666 419 HA2 GLY 54 1HA GLY 54 10.322 -4.042 5.706 420 HA3 GLY 54 2HA GLY 54 11.131 -3.588 4.213 421 H GLY 55 H GLY 55 13.330 -2.595 6.257 422 HA2 GLY 55 1HA GLY 55 15.057 -4.802 5.859 423 HA3 GLY 55 2HA GLY 55 15.380 -3.416 6.890 424 H ALA 56 H ALA 56 15.256 -6.633 6.949 425 HA ALA 56 HA ALA 56 13.667 -7.427 9.061 426 HB1 ALA 56 1HB ALA 56 14.777 -9.097 7.821 427 HB2 ALA 56 2HB ALA 56 16.364 -8.406 8.162 428 HB3 ALA 56 3HB ALA 56 15.447 -9.187 9.450 429 H VAL 57 H VAL 57 14.189 -7.883 11.296 430 HA VAL 57 HA VAL 57 16.361 -6.316 12.463 431 HB VAL 57 HB VAL 57 13.536 -6.037 13.485 432 HG11 VAL 57 1HG1 VAL 57 14.511 -4.166 14.773 433 HG12 VAL 57 2HG1 VAL 57 15.220 -5.728 15.189 434 HG13 VAL 57 3HG1 VAL 57 16.103 -4.604 14.155 435 HG21 VAL 57 3HG2 VAL 57 13.570 -3.772 12.547 436 HG22 VAL 57 1HG2 VAL 57 15.133 -4.108 11.802 437 HG23 VAL 57 2HG2 VAL 57 13.700 -4.998 11.286 438 H ALA 58 H ALA 58 13.481 -8.197 13.421 439 HA ALA 58 HA ALA 58 15.234 -9.786 15.181 440 HB1 ALA 58 1HB ALA 58 13.491 -8.197 16.245 441 HB2 ALA 58 2HB ALA 58 12.319 -9.417 15.747 442 HB3 ALA 58 3HB ALA 58 13.626 -9.849 16.849 443 H GLN 59 H GLN 59 14.361 -11.987 15.657 444 HA GLN 59 HA GLN 59 12.783 -13.077 13.431 445 HB2 GLN 59 1HB GLN 59 15.300 -14.335 14.535 446 HB3 GLN 59 2HB GLN 59 14.289 -14.984 13.251 447 HG2 GLN 59 1HG GLN 59 14.875 -13.175 11.793 448 HG3 GLN 59 2HG GLN 59 15.748 -12.359 13.090 449 HE21 GLN 59 2HE2 GLN 59 16.085 -14.245 10.421 450 HE22 GLN 59 1HE2 GLN 59 17.639 -14.927 10.742 451 H GLY 60 H GLY 60 11.190 -14.394 14.056 452 HA2 GLY 60 1HA GLY 60 11.414 -16.018 16.436 453 HA3 GLY 60 2HA GLY 60 10.262 -14.699 16.580 454 H TYR 61 H TYR 61 9.717 -17.530 16.689 455 HA TYR 61 HA TYR 61 8.046 -17.828 14.280 456 HB2 TYR 61 1HB TYR 61 8.142 -20.255 14.657 457 HB3 TYR 61 2HB TYR 61 9.752 -19.575 14.449 458 HD1 TYR 61 HD1 TYR 61 7.397 -21.044 16.859 459 HD2 TYR 61 HD2 TYR 61 11.346 -19.581 16.254 460 HE1 TYR 61 HE1 TYR 61 8.094 -22.064 18.986 461 HE2 TYR 61 HE2 TYR 61 12.054 -20.597 18.379 462 HH TYR 61 HH TYR 61 11.299 -22.489 19.857 463 H VAL 62 H VAL 62 5.897 -18.094 14.513 464 HA VAL 62 HA VAL 62 4.753 -18.841 17.071 465 HB VAL 62 HB VAL 62 3.173 -16.809 16.922 466 HG11 VAL 62 1HG1 VAL 62 5.841 -15.827 17.711 467 HG12 VAL 62 2HG1 VAL 62 4.334 -15.887 18.627 468 HG13 VAL 62 3HG1 VAL 62 5.320 -17.339 18.454 469 HG21 VAL 62 3HG2 VAL 62 3.790 -14.940 15.731 470 HG22 VAL 62 1HG2 VAL 62 5.489 -15.408 15.672 471 HG23 VAL 62 2HG2 VAL 62 4.314 -16.220 14.637 472 HA PRO 63 HA PRO 63 1.620 -20.617 14.561 473 HB2 PRO 63 1HB PRO 63 -0.552 -20.426 16.178 474 HB3 PRO 63 2HB PRO 63 0.773 -21.557 16.478 475 HG2 PRO 63 1HG PRO 63 0.250 -18.882 17.716 476 HG3 PRO 63 2HG PRO 63 0.774 -20.390 18.489 477 HD2 PRO 63 1HD PRO 63 2.494 -18.387 17.887 478 HD3 PRO 63 2HD PRO 63 2.971 -20.097 17.859 479 H HIS 64 H HIS 64 0.032 -20.095 13.099 480 HA HIS 64 HA HIS 64 -0.334 -17.382 12.436 481 HB2 HIS 64 1HB HIS 64 -0.449 -19.167 10.763 482 HB3 HIS 64 2HB HIS 64 -1.900 -19.807 11.528 483 HD1 HIS 64 HD1 HIS 64 -4.013 -19.063 10.492 484 HD2 HIS 64 HD2 HIS 64 -0.931 -16.357 9.823 485 HE1 HIS 64 HE1 HIS 64 -4.991 -17.283 9.009 486 H ASN 65 H ASN 65 -1.911 -19.375 14.695 487 HA ASN 65 HA ASN 65 -4.511 -18.327 14.675 488 HB2 ASN 65 1HB ASN 65 -3.560 -20.354 15.968 489 HB3 ASN 65 2HB ASN 65 -3.111 -19.178 17.200 490 HD21 ASN 65 2HD2 ASN 65 -5.914 -20.000 15.182 491 HD22 ASN 65 1HD2 ASN 65 -7.083 -19.836 16.444 492 H TYR 66 H TYR 66 -1.543 -16.931 15.636 493 HA TYR 66 HA TYR 66 -2.834 -14.911 17.304 494 HB2 TYR 66 1HB TYR 66 -0.391 -16.139 17.501 495 HB3 TYR 66 2HB TYR 66 0.035 -14.608 16.744 496 HD1 TYR 66 HD2 TYR 66 -1.824 -16.024 19.644 497 HD2 TYR 66 HD1 TYR 66 0.292 -12.695 18.051 498 HE1 TYR 66 HE2 TYR 66 -1.919 -14.920 21.840 499 HE2 TYR 66 HE1 TYR 66 0.205 -11.582 20.243 500 HH TYR 66 HH TYR 66 -1.772 -12.151 22.516 501 H LEU 67 H LEU 67 -0.473 -14.873 14.626 502 HA LEU 67 HA LEU 67 -1.408 -12.215 13.871 503 HB2 LEU 67 1HB LEU 67 0.509 -12.266 12.299 504 HB3 LEU 67 2HB LEU 67 0.961 -12.456 13.992 505 HG LEU 67 HG LEU 67 0.707 -15.058 13.091 506 HD11 LEU 67 1HD1 LEU 67 2.346 -13.644 11.026 507 HD12 LEU 67 2HD1 LEU 67 0.622 -13.918 10.775 508 HD13 LEU 67 3HD1 LEU 67 1.706 -15.288 11.014 509 HD21 LEU 67 3HD2 LEU 67 2.438 -13.907 14.567 510 HD22 LEU 67 1HD2 LEU 67 3.287 -13.521 13.070 511 HD23 LEU 67 2HD2 LEU 67 3.010 -15.204 13.517 512 H ALA 68 H ALA 68 -2.382 -11.726 11.947 513 HA ALA 68 HA ALA 68 -2.948 -13.947 10.106 514 HB1 ALA 68 1HB ALA 68 -4.843 -13.245 11.782 515 HB2 ALA 68 2HB ALA 68 -5.081 -11.935 10.625 516 HB3 ALA 68 3HB ALA 68 -5.215 -13.612 10.097 517 H GLU 69 H GLU 69 -2.966 -13.436 7.958 518 HA GLU 69 HA GLU 69 -1.547 -11.218 7.062 519 HB2 GLU 69 1HB GLU 69 -2.274 -11.845 4.815 520 HB3 GLU 69 2HB GLU 69 -1.814 -13.266 5.743 521 HG2 GLU 69 1HG GLU 69 -4.319 -13.473 6.273 522 HG3 GLU 69 2HG GLU 69 -4.544 -12.359 4.926 523 H ARG 70 H ARG 70 -2.061 -9.154 6.769 524 HA ARG 70 HA ARG 70 -4.913 -8.435 6.583 525 HB2 ARG 70 1HB ARG 70 -2.679 -7.189 8.145 526 HB3 ARG 70 2HB ARG 70 -4.026 -6.197 7.603 527 HG2 ARG 70 1HG ARG 70 -4.422 -8.719 9.182 528 HG3 ARG 70 2HG ARG 70 -4.172 -7.146 9.943 529 HD2 ARG 70 1HD ARG 70 -6.441 -7.122 9.852 530 HD3 ARG 70 2HD ARG 70 -6.106 -6.464 8.251 531 HE ARG 70 HE ARG 70 -6.245 -9.267 8.091 532 HH11 ARG 70 1HH1 ARG 70 -8.287 -6.497 8.616 533 HH12 ARG 70 2HH1 ARG 70 -9.703 -7.254 7.965 534 HH21 ARG 70 1HH2 ARG 70 -8.102 -10.275 7.232 535 HH22 ARG 70 2HH2 ARG 70 -9.597 -9.403 7.179 536 H GLU 71 H GLU 71 -3.815 -8.948 4.248 537 HA GLU 71 HA GLU 71 -2.266 -7.070 2.947 538 HB2 GLU 71 1HB GLU 71 -3.553 -7.788 0.868 539 HB3 GLU 71 2HB GLU 71 -2.751 -9.059 1.780 540 HG2 GLU 71 1HG GLU 71 -4.824 -9.741 2.768 541 HG3 GLU 71 2HG GLU 71 -5.667 -8.371 2.046 542 H THR 72 H THR 72 -2.925 -5.445 1.332 543 HA THR 72 HA THR 72 -5.367 -4.012 2.151 544 HB THR 72 HB THR 72 -3.518 -2.754 3.015 545 HG1 THR 72 HG1 THR 72 -4.264 -1.505 0.567 546 HG21 THR 72 3HG2 THR 72 -1.634 -3.525 1.849 547 HG22 THR 72 1HG2 THR 72 -1.803 -1.848 1.334 548 HG23 THR 72 2HG2 THR 72 -2.343 -3.153 0.278 Start of MODEL 14 1 H1 MET 1 H MET 1 -11.999 -15.035 -16.518 2 HA MET 1 HA MET 1 -12.140 -17.847 -15.937 3 HB2 MET 1 1HB MET 1 -11.675 -18.148 -18.323 4 HB3 MET 1 2HB MET 1 -12.959 -16.974 -18.070 5 HG2 MET 1 1HG MET 1 -11.584 -15.172 -18.641 6 HG3 MET 1 2HG MET 1 -10.114 -16.127 -18.460 7 HE1 MET 1 3HE MET 1 -12.881 -15.520 -21.867 8 HE2 MET 1 1HE MET 1 -12.612 -14.644 -20.360 9 HE3 MET 1 2HE MET 1 -11.473 -14.470 -21.695 10 H VAL 2 H VAL 2 -10.025 -16.234 -14.641 11 HA VAL 2 HA VAL 2 -7.648 -17.602 -15.720 12 HB VAL 2 HB VAL 2 -7.680 -15.168 -13.934 13 HG11 VAL 2 1HG1 VAL 2 -5.558 -16.839 -15.169 14 HG12 VAL 2 2HG1 VAL 2 -5.287 -15.098 -15.067 15 HG13 VAL 2 3HG1 VAL 2 -5.595 -16.031 -13.602 16 HG21 VAL 2 3HG2 VAL 2 -8.334 -14.067 -15.773 17 HG22 VAL 2 1HG2 VAL 2 -6.693 -14.353 -16.353 18 HG23 VAL 2 2HG2 VAL 2 -7.997 -15.441 -16.827 19 H SER 3 H SER 3 -6.979 -19.283 -14.577 20 HA SER 3 HA SER 3 -7.997 -19.887 -11.991 21 HB2 SER 3 1HB SER 3 -7.281 -21.580 -13.719 22 HB3 SER 3 2HB SER 3 -5.610 -21.160 -13.344 23 HG SER 3 HG SER 3 -7.463 -22.008 -11.378 24 H ARG 4 H ARG 4 -7.273 -19.301 -10.057 25 HA ARG 4 HA ARG 4 -5.061 -17.534 -9.784 26 HB2 ARG 4 1HB ARG 4 -6.988 -18.835 -7.905 27 HB3 ARG 4 2HB ARG 4 -5.537 -18.088 -7.251 28 HG2 ARG 4 1HG ARG 4 -6.151 -15.956 -8.133 29 HG3 ARG 4 2HG ARG 4 -7.498 -16.660 -9.029 30 HD2 ARG 4 1HD ARG 4 -8.456 -17.375 -6.817 31 HD3 ARG 4 2HD ARG 4 -7.202 -16.406 -6.043 32 HE ARG 4 HE ARG 4 -8.511 -14.768 -7.869 33 HH11 ARG 4 1HH1 ARG 4 -9.233 -16.508 -4.942 34 HH12 ARG 4 2HH1 ARG 4 -10.465 -15.401 -4.433 35 HH21 ARG 4 1HH2 ARG 4 -10.131 -13.303 -7.210 36 HH22 ARG 4 2HH2 ARG 4 -10.975 -13.579 -5.724 37 H ASP 5 H ASP 5 -5.626 -20.835 -8.559 38 HA ASP 5 HA ASP 5 -4.193 -22.464 -7.863 39 HB2 ASP 5 1HB ASP 5 -2.400 -21.236 -9.970 40 HB3 ASP 5 2HB ASP 5 -2.233 -22.851 -9.285 41 H GLN 6 H GLN 6 -4.159 -20.180 -6.264 42 HA GLN 6 HA GLN 6 -1.386 -20.249 -5.298 43 HB2 GLN 6 1HB GLN 6 -1.318 -17.922 -4.909 44 HB3 GLN 6 2HB GLN 6 -1.956 -18.102 -6.538 45 HG2 GLN 6 1HG GLN 6 -4.258 -18.044 -5.194 46 HG3 GLN 6 2HG GLN 6 -3.262 -17.105 -4.084 47 HE21 GLN 6 2HE2 GLN 6 -2.619 -15.077 -4.643 48 HE22 GLN 6 1HE2 GLN 6 -3.152 -14.263 -6.071 49 H ALA 7 H ALA 7 -1.124 -20.150 -3.067 50 HA ALA 7 HA ALA 7 -3.403 -21.045 -1.543 51 HB1 ALA 7 1HB ALA 7 -0.512 -20.610 -0.829 52 HB2 ALA 7 2HB ALA 7 -1.725 -21.156 0.329 53 HB3 ALA 7 3HB ALA 7 -1.349 -22.141 -1.085 54 H HIS 8 H HIS 8 -2.441 -18.068 -2.471 55 HA HIS 8 HA HIS 8 -2.990 -15.959 -1.810 56 HB2 HIS 8 1HB HIS 8 -4.577 -17.184 0.444 57 HB3 HIS 8 2HB HIS 8 -4.831 -15.628 -0.341 58 HD1 HIS 8 HD1 HIS 8 -4.929 -16.425 -3.264 59 HD2 HIS 8 HD2 HIS 8 -6.781 -18.598 -0.246 60 HE1 HIS 8 HE1 HIS 8 -6.756 -17.729 -4.398 61 H LEU 9 H LEU 9 -0.768 -15.684 -1.217 62 HA LEU 9 HA LEU 9 -0.085 -15.998 1.596 63 HB2 LEU 9 1HB LEU 9 1.812 -14.694 -0.246 64 HB3 LEU 9 2HB LEU 9 2.087 -15.937 0.972 65 HG LEU 9 HG LEU 9 0.942 -16.391 -1.783 66 HD11 LEU 9 1HD1 LEU 9 3.036 -17.431 -2.310 67 HD12 LEU 9 2HD1 LEU 9 3.625 -17.186 -0.666 68 HD13 LEU 9 3HD1 LEU 9 3.354 -15.799 -1.721 69 HD21 LEU 9 3HD2 LEU 9 0.618 -17.914 0.522 70 HD22 LEU 9 1HD2 LEU 9 1.917 -18.711 -0.366 71 HD23 LEU 9 2HD2 LEU 9 0.357 -18.438 -1.142 72 H GLY 10 H GLY 10 -0.020 -13.378 -0.829 73 HA2 GLY 10 1HA GLY 10 -0.785 -11.182 -0.498 74 HA3 GLY 10 2HA GLY 10 -0.874 -11.497 1.229 75 HA PRO 11 HA PRO 11 2.977 -9.006 0.059 76 HB2 PRO 11 1HB PRO 11 2.250 -6.674 1.243 77 HB3 PRO 11 2HB PRO 11 1.873 -7.054 -0.441 78 HG2 PRO 11 1HG PRO 11 0.130 -7.264 1.984 79 HG3 PRO 11 2HG PRO 11 -0.267 -6.644 0.370 80 HD2 PRO 11 1HD PRO 11 -0.961 -9.130 1.188 81 HD3 PRO 11 2HD PRO 11 -0.572 -8.755 -0.503 82 H LYS 12 H LYS 12 1.624 -7.485 2.892 83 HA LYS 12 HA LYS 12 3.712 -8.762 4.522 84 HB2 LYS 12 1HB LYS 12 2.448 -6.067 4.528 85 HB3 LYS 12 2HB LYS 12 2.951 -6.730 6.078 86 HG2 LYS 12 1HG LYS 12 5.193 -6.742 5.490 87 HG3 LYS 12 2HG LYS 12 4.842 -6.681 3.761 88 HD2 LYS 12 1HD LYS 12 4.154 -4.427 5.631 89 HD3 LYS 12 2HD LYS 12 5.721 -4.546 4.827 90 HE2 LYS 12 1HE LYS 12 3.243 -4.771 3.189 91 HE3 LYS 12 2HE LYS 12 3.737 -3.179 3.763 92 HZ1 LYS 12 3HZ LYS 12 4.600 -4.201 1.494 93 HZ2 LYS 12 1HZ LYS 12 5.792 -4.830 2.517 94 HZ3 LYS 12 2HZ LYS 12 5.547 -3.159 2.431 95 H TYR 13 H TYR 13 3.140 -9.026 6.870 96 HA TYR 13 HA TYR 13 0.360 -9.974 7.119 97 HB2 TYR 13 1HB TYR 13 2.858 -11.075 8.422 98 HB3 TYR 13 2HB TYR 13 1.223 -11.650 8.725 99 HD1 TYR 13 HD1 TYR 13 3.738 -11.233 6.015 100 HD2 TYR 13 HD2 TYR 13 0.297 -13.327 7.386 101 HE1 TYR 13 HE1 TYR 13 3.948 -12.800 4.131 102 HE2 TYR 13 HE2 TYR 13 0.498 -14.900 5.506 103 HH TYR 13 HH TYR 13 3.133 -14.608 3.140 104 H VAL 14 H VAL 14 -0.566 -9.898 9.275 105 HA VAL 14 HA VAL 14 0.697 -8.012 11.124 106 HB VAL 14 HB VAL 14 -2.022 -7.663 9.883 107 HG11 VAL 14 1HG1 VAL 14 -0.988 -6.527 12.472 108 HG12 VAL 14 2HG1 VAL 14 -2.344 -5.835 11.579 109 HG13 VAL 14 3HG1 VAL 14 -2.451 -7.478 12.213 110 HG21 VAL 14 3HG2 VAL 14 -1.259 -5.552 9.222 111 HG22 VAL 14 1HG2 VAL 14 0.078 -5.577 10.372 112 HG23 VAL 14 2HG2 VAL 14 0.122 -6.614 8.947 113 H GLY 15 H GLY 15 0.242 -8.374 13.257 114 HA2 GLY 15 1HA GLY 15 -1.979 -9.836 14.214 115 HA3 GLY 15 2HA GLY 15 -0.597 -10.911 14.064 116 H LEU 16 H LEU 16 -0.149 -11.281 16.177 117 HA LEU 16 HA LEU 16 0.497 -10.907 18.330 118 HB2 LEU 16 1HB LEU 16 1.955 -8.894 16.702 119 HB3 LEU 16 2HB LEU 16 2.038 -8.756 18.457 120 HG LEU 16 HG LEU 16 3.965 -9.952 17.524 121 HD11 LEU 16 1HD1 LEU 16 2.816 -10.484 19.786 122 HD12 LEU 16 2HD1 LEU 16 4.054 -11.574 19.165 123 HD13 LEU 16 3HD1 LEU 16 2.349 -11.990 18.996 124 HD21 LEU 16 3HD2 LEU 16 1.862 -11.871 16.539 125 HD22 LEU 16 1HD2 LEU 16 3.579 -12.261 16.642 126 HD23 LEU 16 2HD2 LEU 16 3.032 -10.966 15.578 127 H TRP 17 H TRP 17 -1.770 -10.424 18.847 128 HA TRP 17 HA TRP 17 -2.697 -7.742 19.013 129 HB2 TRP 17 1HB TRP 17 -4.149 -9.801 18.916 130 HB3 TRP 17 2HB TRP 17 -3.706 -10.113 20.592 131 HD1 TRP 17 HD1 TRP 17 -4.989 -8.796 22.442 132 HE1 TRP 17 HE1 TRP 17 -6.920 -7.095 22.415 133 HE3 TRP 17 HE3 TRP 17 -5.123 -7.800 17.430 134 HZ2 TRP 17 HZ2 TRP 17 -8.317 -5.538 20.520 135 HZ3 TRP 17 HZ3 TRP 17 -6.787 -6.193 16.591 136 HH2 TRP 17 HH2 TRP 17 -8.350 -5.087 18.105 137 H ASP 18 H ASP 18 -0.981 -6.649 20.086 138 HA ASP 18 HA ASP 18 0.154 -5.795 21.869 139 HB2 ASP 18 1HB ASP 18 -2.141 -5.108 22.449 140 HB3 ASP 18 2HB ASP 18 -2.365 -6.617 23.330 141 H PHE 19 H PHE 19 1.348 -8.008 21.410 142 HA PHE 19 HA PHE 19 1.715 -9.253 24.040 143 HB2 PHE 19 1HB PHE 19 0.309 -10.670 22.397 144 HB3 PHE 19 2HB PHE 19 1.824 -10.914 21.535 145 HD1 PHE 19 HD2 PHE 19 3.827 -11.722 23.037 146 HD2 PHE 19 HD1 PHE 19 -0.288 -12.171 24.028 147 HE1 PHE 19 HE2 PHE 19 4.399 -13.564 24.564 148 HE2 PHE 19 HE1 PHE 19 0.278 -14.013 25.558 149 HZ PHE 19 HZ PHE 19 2.624 -14.713 25.826 150 H LYS 20 H LYS 20 3.750 -9.003 24.648 151 HA LYS 20 HA LYS 20 5.867 -9.135 22.610 152 HB2 LYS 20 1HB LYS 20 6.990 -7.427 24.353 153 HB3 LYS 20 2HB LYS 20 6.060 -6.898 22.957 154 HG2 LYS 20 1HG LYS 20 4.611 -7.392 25.503 155 HG3 LYS 20 2HG LYS 20 5.607 -5.941 25.368 156 HD2 LYS 20 1HD LYS 20 3.675 -6.624 23.191 157 HD3 LYS 20 2HD LYS 20 3.091 -5.870 24.676 158 HE2 LYS 20 1HE LYS 20 5.343 -4.756 23.015 159 HE3 LYS 20 2HE LYS 20 3.657 -4.285 22.807 160 HZ1 LYS 20 3HZ LYS 20 3.893 -3.887 25.394 161 HZ2 LYS 20 1HZ LYS 20 4.302 -2.697 24.264 162 HZ3 LYS 20 2HZ LYS 20 5.512 -3.647 24.967 163 H SER 21 H SER 21 7.656 -10.280 23.158 164 HA SER 21 HA SER 21 7.726 -11.414 25.878 165 HB2 SER 21 1HB SER 21 7.295 -12.863 23.643 166 HB3 SER 21 2HB SER 21 9.058 -12.897 23.682 167 HG SER 21 HG SER 21 7.666 -13.430 26.047 168 H ARG 22 H ARG 22 10.121 -12.555 26.005 169 HA ARG 22 HA ARG 22 12.044 -10.418 25.359 170 HB2 ARG 22 1HB ARG 22 13.153 -10.800 27.486 171 HB3 ARG 22 2HB ARG 22 11.462 -10.402 27.756 172 HG2 ARG 22 1HG ARG 22 11.166 -13.002 27.775 173 HG3 ARG 22 2HG ARG 22 12.890 -12.982 28.152 174 HD2 ARG 22 1HD ARG 22 10.819 -11.407 29.670 175 HD3 ARG 22 2HD ARG 22 11.370 -13.013 30.145 176 HE ARG 22 HE ARG 22 13.542 -11.199 29.797 177 HH11 ARG 22 1HH1 ARG 22 11.026 -12.167 32.000 178 HH12 ARG 22 2HH1 ARG 22 11.878 -11.636 33.412 179 HH21 ARG 22 1HH2 ARG 22 14.674 -10.495 31.648 180 HH22 ARG 22 2HH2 ARG 22 13.953 -10.684 33.210 181 H THR 23 H THR 23 11.358 -12.989 24.017 182 HA THR 23 HA THR 23 14.093 -13.988 23.813 183 HB THR 23 HB THR 23 12.815 -16.359 23.625 184 HG1 THR 23 HG1 THR 23 10.874 -15.100 24.443 185 HG21 THR 23 3HG2 THR 23 14.826 -15.833 24.966 186 HG22 THR 23 1HG2 THR 23 13.691 -16.872 25.828 187 HG23 THR 23 2HG2 THR 23 13.787 -15.154 26.218 188 H ASP 24 H ASP 24 14.508 -15.162 21.857 189 HA ASP 24 HA ASP 24 13.330 -14.064 19.580 190 HB2 ASP 24 1HB ASP 24 14.736 -16.733 19.626 191 HB3 ASP 24 2HB ASP 24 14.675 -15.560 18.313 192 H GLU 25 H GLU 25 12.352 -16.721 21.540 193 HA GLU 25 HA GLU 25 10.905 -18.274 19.744 194 HB2 GLU 25 1HB GLU 25 9.554 -18.965 21.706 195 HB3 GLU 25 2HB GLU 25 11.285 -19.018 22.009 196 HG2 GLU 25 1HG GLU 25 10.870 -16.602 22.944 197 HG3 GLU 25 2HG GLU 25 9.219 -17.193 23.119 198 H GLU 26 H GLU 26 10.236 -15.132 21.009 199 HA GLU 26 HA GLU 26 7.784 -15.036 19.417 200 HB2 GLU 26 1HB GLU 26 7.999 -14.509 22.358 201 HB3 GLU 26 2HB GLU 26 6.837 -13.605 21.398 202 HG2 GLU 26 1HG GLU 26 6.235 -16.067 20.569 203 HG3 GLU 26 2HG GLU 26 6.854 -16.454 22.173 204 H LEU 27 H LEU 27 7.096 -12.858 18.903 205 HA LEU 27 HA LEU 27 9.383 -11.080 18.607 206 HB2 LEU 27 1HB LEU 27 6.606 -11.027 17.443 207 HB3 LEU 27 2HB LEU 27 7.824 -9.791 17.135 208 HG LEU 27 HG LEU 27 7.843 -11.196 15.249 209 HD11 LEU 27 1HD1 LEU 27 10.072 -10.693 16.498 210 HD12 LEU 27 2HD1 LEU 27 10.056 -11.822 15.143 211 HD13 LEU 27 3HD1 LEU 27 10.076 -12.432 16.798 212 HD21 LEU 27 3HD2 LEU 27 7.535 -13.450 15.216 213 HD22 LEU 27 1HD2 LEU 27 6.698 -13.081 16.724 214 HD23 LEU 27 2HD2 LEU 27 8.349 -13.699 16.761 215 H SER 28 H SER 28 9.711 -9.356 19.841 216 HA SER 28 HA SER 28 7.716 -8.612 21.812 217 HB2 SER 28 1HB SER 28 9.481 -7.214 22.774 218 HB3 SER 28 2HB SER 28 10.084 -8.844 22.476 219 HG SER 28 HG SER 28 11.423 -8.088 21.027 220 H PHE 29 H PHE 29 6.156 -7.713 20.359 221 HA PHE 29 HA PHE 29 6.529 -4.891 19.960 222 HB2 PHE 29 1HB PHE 29 7.066 -6.647 17.785 223 HB3 PHE 29 2HB PHE 29 5.563 -5.800 17.433 224 HD1 PHE 29 HD2 PHE 29 9.153 -5.411 18.077 225 HD2 PHE 29 HD1 PHE 29 5.534 -3.449 16.997 226 HE1 PHE 29 HE2 PHE 29 10.438 -3.432 17.380 227 HE2 PHE 29 HE1 PHE 29 6.813 -1.467 16.297 228 HZ PHE 29 HZ PHE 29 9.269 -1.457 16.489 229 H ARG 30 H ARG 30 4.521 -3.850 19.135 230 HA ARG 30 HA ARG 30 2.205 -5.220 20.265 231 HB2 ARG 30 1HB ARG 30 1.145 -3.074 20.338 232 HB3 ARG 30 2HB ARG 30 2.785 -2.879 20.940 233 HG2 ARG 30 1HG ARG 30 3.485 -1.948 18.815 234 HG3 ARG 30 2HG ARG 30 1.870 -2.207 18.151 235 HD2 ARG 30 1HD ARG 30 1.054 -0.747 20.097 236 HD3 ARG 30 2HD ARG 30 2.744 -0.276 20.276 237 HE ARG 30 HE ARG 30 2.017 0.061 17.597 238 HH11 ARG 30 1HH1 ARG 30 1.294 1.404 20.727 239 HH12 ARG 30 2HH1 ARG 30 0.916 2.978 20.109 240 HH21 ARG 30 1HH2 ARG 30 1.522 2.129 16.771 241 HH22 ARG 30 2HH2 ARG 30 1.045 3.389 17.858 242 H ALA 31 H ALA 31 0.115 -5.078 19.148 243 HA ALA 31 HA ALA 31 0.199 -6.167 16.583 244 HB1 ALA 31 1HB ALA 31 -1.768 -5.638 18.510 245 HB2 ALA 31 2HB ALA 31 -2.314 -4.855 17.026 246 HB3 ALA 31 3HB ALA 31 -1.936 -6.578 17.026 247 H GLY 32 H GLY 32 -0.974 -5.220 14.649 248 HA2 GLY 32 1HA GLY 32 -1.425 -3.444 13.193 249 HA3 GLY 32 2HA GLY 32 -0.769 -2.331 14.384 250 H ASP 33 H ASP 33 1.551 -4.476 14.409 251 HA ASP 33 HA ASP 33 3.192 -2.986 12.553 252 HB2 ASP 33 1HB ASP 33 3.639 -4.846 14.793 253 HB3 ASP 33 2HB ASP 33 4.811 -4.976 13.484 254 H VAL 34 H VAL 34 4.470 -3.953 10.886 255 HA VAL 34 HA VAL 34 3.049 -6.119 9.535 256 HB VAL 34 HB VAL 34 4.398 -5.517 7.563 257 HG11 VAL 34 1HG1 VAL 34 2.392 -4.397 7.510 258 HG12 VAL 34 2HG1 VAL 34 2.739 -3.483 8.980 259 HG13 VAL 34 3HG1 VAL 34 3.527 -3.048 7.462 260 HG21 VAL 34 3HG2 VAL 34 5.956 -4.125 9.544 261 HG22 VAL 34 1HG2 VAL 34 6.349 -4.494 7.865 262 HG23 VAL 34 2HG2 VAL 34 5.458 -3.024 8.260 263 H PHE 35 H PHE 35 3.938 -8.067 9.036 264 HA PHE 35 HA PHE 35 6.748 -8.546 9.705 265 HB2 PHE 35 1HB PHE 35 4.578 -10.430 10.622 266 HB3 PHE 35 2HB PHE 35 6.285 -10.454 11.053 267 HD1 PHE 35 HD1 PHE 35 7.123 -8.205 12.201 268 HD2 PHE 35 HD2 PHE 35 3.102 -9.600 12.163 269 HE1 PHE 35 HE1 PHE 35 6.639 -6.854 14.199 270 HE2 PHE 35 HE2 PHE 35 2.611 -8.251 14.161 271 HZ PHE 35 HZ PHE 35 4.381 -6.874 15.181 272 H HIS 36 H HIS 36 7.667 -10.388 8.681 273 HA HIS 36 HA HIS 36 6.077 -11.416 6.423 274 HB2 HIS 36 1HB HIS 36 7.894 -9.794 5.785 275 HB3 HIS 36 2HB HIS 36 9.063 -10.954 6.408 276 HD1 HIS 36 HD1 HIS 36 9.993 -12.464 4.694 277 HD2 HIS 36 HD2 HIS 36 6.211 -11.095 3.652 278 HE1 HIS 36 HE1 HIS 36 9.537 -13.418 2.412 279 H VAL 37 H VAL 37 5.987 -13.568 6.171 280 HA VAL 37 HA VAL 37 7.349 -15.224 8.143 281 HB VAL 37 HB VAL 37 4.987 -15.639 7.862 282 HG11 VAL 37 1HG1 VAL 37 4.906 -16.839 5.275 283 HG12 VAL 37 2HG1 VAL 37 3.974 -15.474 5.893 284 HG13 VAL 37 3HG1 VAL 37 5.539 -15.200 5.127 285 HG21 VAL 37 3HG2 VAL 37 6.619 -17.873 6.657 286 HG22 VAL 37 1HG2 VAL 37 6.411 -17.554 8.379 287 HG23 VAL 37 2HG2 VAL 37 5.028 -18.040 7.398 288 H ALA 38 H ALA 38 9.164 -16.275 7.707 289 HA ALA 38 HA ALA 38 10.031 -16.533 4.925 290 HB1 ALA 38 1HB ALA 38 11.797 -17.344 7.167 291 HB2 ALA 38 2HB ALA 38 12.182 -16.501 5.666 292 HB3 ALA 38 3HB ALA 38 11.421 -15.629 6.996 293 H ARG 39 H ARG 39 8.741 -18.399 7.479 294 HA ARG 39 HA ARG 39 8.931 -20.799 5.859 295 HB2 ARG 39 1HB ARG 39 10.964 -20.705 7.395 296 HB3 ARG 39 2HB ARG 39 9.839 -20.909 8.731 297 HG2 ARG 39 1HG ARG 39 10.435 -23.076 8.387 298 HG3 ARG 39 2HG ARG 39 9.046 -22.975 7.303 299 HD2 ARG 39 1HD ARG 39 11.748 -22.293 6.250 300 HD3 ARG 39 2HD ARG 39 11.337 -23.990 6.497 301 HE ARG 39 HE ARG 39 10.371 -22.273 4.430 302 HH11 ARG 39 1HH1 ARG 39 9.559 -25.012 6.419 303 HH12 ARG 39 2HH1 ARG 39 8.433 -25.671 5.279 304 HH21 ARG 39 1HH2 ARG 39 8.891 -23.131 2.921 305 HH22 ARG 39 2HH2 ARG 39 8.054 -24.601 3.290 306 H LYS 40 H LYS 40 7.280 -22.244 6.222 307 HA LYS 40 HA LYS 40 5.376 -21.580 8.365 308 HB2 LYS 40 1HB LYS 40 3.565 -22.261 6.690 309 HB3 LYS 40 2HB LYS 40 4.316 -20.687 6.465 310 HG2 LYS 40 1HG LYS 40 5.410 -21.325 4.558 311 HG3 LYS 40 2HG LYS 40 5.443 -23.029 5.016 312 HD2 LYS 40 1HD LYS 40 2.916 -21.557 4.293 313 HD3 LYS 40 2HD LYS 40 3.892 -22.443 3.119 314 HE2 LYS 40 1HE LYS 40 3.655 -24.387 4.864 315 HE3 LYS 40 2HE LYS 40 2.246 -23.466 5.388 316 HZ1 LYS 40 3HZ LYS 40 2.006 -25.271 3.564 317 HZ2 LYS 40 1HZ LYS 40 2.597 -24.068 2.532 318 HZ3 LYS 40 2HZ LYS 40 1.172 -23.808 3.404 319 H GLU 41 H GLU 41 5.415 -23.258 9.710 320 HA GLU 41 HA GLU 41 5.647 -25.966 8.592 321 HB2 GLU 41 1HB GLU 41 7.199 -24.938 10.474 322 HB3 GLU 41 2HB GLU 41 5.872 -25.426 11.518 323 HG2 GLU 41 1HG GLU 41 6.181 -27.676 11.085 324 HG3 GLU 41 2HG GLU 41 7.054 -27.370 9.585 325 H GLU 42 H GLU 42 4.435 -27.679 9.823 326 HA GLU 42 HA GLU 42 1.665 -27.045 9.818 327 HB2 GLU 42 1HB GLU 42 1.285 -29.341 10.275 328 HB3 GLU 42 2HB GLU 42 2.699 -29.278 9.231 329 HG2 GLU 42 1HG GLU 42 4.153 -29.578 11.159 330 HG3 GLU 42 2HG GLU 42 2.747 -29.609 12.223 331 H GLN 43 H GLN 43 4.106 -27.189 12.280 332 HA GLN 43 HA GLN 43 2.146 -27.126 14.433 333 HB2 GLN 43 1HB GLN 43 5.164 -27.022 14.557 334 HB3 GLN 43 2HB GLN 43 4.081 -27.209 15.929 335 HG2 GLN 43 1HG GLN 43 3.256 -29.290 14.513 336 HG3 GLN 43 2HG GLN 43 4.890 -29.171 13.863 337 HE21 GLN 43 2HE2 GLN 43 6.326 -30.356 14.877 338 HE22 GLN 43 1HE2 GLN 43 6.285 -30.814 16.542 339 H TRP 44 H TRP 44 5.082 -25.195 13.849 340 HA TRP 44 HA TRP 44 3.512 -22.786 14.490 341 HB2 TRP 44 1HB TRP 44 6.407 -23.188 15.248 342 HB3 TRP 44 2HB TRP 44 5.332 -21.889 15.756 343 HD1 TRP 44 HD1 TRP 44 2.851 -23.618 16.709 344 HE1 TRP 44 HE1 TRP 44 3.036 -25.038 18.848 345 HE3 TRP 44 HE3 TRP 44 7.941 -24.023 16.977 346 HZ2 TRP 44 HZ2 TRP 44 5.070 -26.178 20.439 347 HZ3 TRP 44 HZ3 TRP 44 8.926 -25.295 18.839 348 HH2 TRP 44 HH2 TRP 44 7.518 -26.348 20.533 349 H TRP 45 H TRP 45 4.304 -20.800 13.561 350 HA TRP 45 HA TRP 45 5.734 -21.268 11.031 351 HB2 TRP 45 1HB TRP 45 3.579 -19.332 11.822 352 HB3 TRP 45 2HB TRP 45 4.637 -18.976 10.459 353 HD1 TRP 45 HD1 TRP 45 3.555 -22.579 11.053 354 HE1 TRP 45 HE1 TRP 45 1.970 -23.296 9.157 355 HE3 TRP 45 HE3 TRP 45 2.903 -18.045 8.784 356 HZ2 TRP 45 HZ2 TRP 45 0.621 -22.098 6.986 357 HZ3 TRP 45 HZ3 TRP 45 1.450 -17.916 6.802 358 HH2 TRP 45 HH2 TRP 45 0.334 -19.902 5.923 359 H TRP 46 H TRP 46 7.301 -19.764 10.332 360 HA TRP 46 HA TRP 46 8.603 -18.350 12.547 361 HB2 TRP 46 1HB TRP 46 9.661 -19.232 9.853 362 HB3 TRP 46 2HB TRP 46 10.595 -18.325 11.040 363 HD1 TRP 46 HD1 TRP 46 8.587 -21.660 11.026 364 HE1 TRP 46 HE1 TRP 46 9.926 -23.386 12.388 365 HE3 TRP 46 HE3 TRP 46 12.515 -18.708 12.438 366 HZ2 TRP 46 HZ2 TRP 46 12.329 -23.482 13.865 367 HZ3 TRP 46 HZ3 TRP 46 14.292 -19.694 13.825 368 HH2 TRP 46 HH2 TRP 46 14.199 -22.031 14.524 369 H ALA 47 H ALA 47 7.980 -16.292 12.700 370 HA ALA 47 HA ALA 47 7.604 -14.744 10.225 371 HB1 ALA 47 1HB ALA 47 5.610 -14.622 11.428 372 HB2 ALA 47 2HB ALA 47 6.443 -14.464 12.975 373 HB3 ALA 47 3HB ALA 47 6.438 -13.119 11.835 374 H THR 48 H THR 48 8.535 -12.688 10.020 375 HA THR 48 HA THR 48 10.613 -12.008 11.988 376 HB THR 48 HB THR 48 10.966 -11.994 8.984 377 HG1 THR 48 HG1 THR 48 12.104 -13.565 11.070 378 HG21 THR 48 3HG2 THR 48 12.075 -10.080 10.024 379 HG22 THR 48 1HG2 THR 48 13.258 -11.257 9.454 380 HG23 THR 48 2HG2 THR 48 12.872 -11.155 11.172 381 H LEU 49 H LEU 49 10.782 -9.887 12.482 382 HA LEU 49 HA LEU 49 8.861 -8.078 11.223 383 HB2 LEU 49 1HB LEU 49 8.619 -8.024 13.536 384 HB3 LEU 49 2HB LEU 49 10.359 -8.075 13.814 385 HG LEU 49 HG LEU 49 10.533 -5.748 13.030 386 HD11 LEU 49 1HD1 LEU 49 8.880 -4.661 12.012 387 HD12 LEU 49 2HD1 LEU 49 7.705 -5.139 13.237 388 HD13 LEU 49 3HD1 LEU 49 8.061 -6.218 11.889 389 HD21 LEU 49 3HD2 LEU 49 10.287 -6.193 15.405 390 HD22 LEU 49 1HD2 LEU 49 8.531 -6.193 15.242 391 HD23 LEU 49 2HD2 LEU 49 9.442 -4.708 14.967 392 H LEU 50 H LEU 50 9.463 -6.544 9.845 393 HA LEU 50 HA LEU 50 12.328 -5.885 9.662 394 HB2 LEU 50 1HB LEU 50 10.494 -5.270 7.418 395 HB3 LEU 50 2HB LEU 50 12.183 -5.773 7.393 396 HG LEU 50 HG LEU 50 9.813 -7.578 7.882 397 HD11 LEU 50 1HD1 LEU 50 10.153 -8.424 5.700 398 HD12 LEU 50 2HD1 LEU 50 11.653 -7.519 5.503 399 HD13 LEU 50 3HD1 LEU 50 10.110 -6.668 5.550 400 HD21 LEU 50 3HD2 LEU 50 11.324 -9.380 7.965 401 HD22 LEU 50 1HD2 LEU 50 12.007 -8.149 9.028 402 HD23 LEU 50 2HD2 LEU 50 12.671 -8.384 7.410 403 H ASP 51 H ASP 51 12.816 -3.671 8.906 404 HA ASP 51 HA ASP 51 11.348 -1.756 10.457 405 HB2 ASP 51 1HB ASP 51 13.930 -1.902 9.824 406 HB3 ASP 51 2HB ASP 51 13.405 -0.885 8.484 407 H GLU 52 H GLU 52 11.100 0.516 9.240 408 HA GLU 52 HA GLU 52 8.861 0.272 7.590 409 HB2 GLU 52 1HB GLU 52 9.157 2.691 7.146 410 HB3 GLU 52 2HB GLU 52 9.266 2.292 8.855 411 HG2 GLU 52 1HG GLU 52 11.541 2.689 8.939 412 HG3 GLU 52 2HG GLU 52 11.743 2.487 7.200 413 H ALA 53 H ALA 53 12.234 0.232 6.840 414 HA ALA 53 HA ALA 53 11.941 0.861 4.054 415 HB1 ALA 53 1HB ALA 53 14.216 0.744 3.923 416 HB2 ALA 53 2HB ALA 53 14.035 1.033 5.654 417 HB3 ALA 53 3HB ALA 53 14.325 -0.602 5.058 418 H GLY 54 H GLY 54 11.516 -1.938 5.971 419 HA2 GLY 54 1HA GLY 54 10.544 -3.938 5.221 420 HA3 GLY 54 2HA GLY 54 10.969 -3.502 3.573 421 H GLY 55 H GLY 55 13.452 -3.203 5.929 422 HA2 GLY 55 1HA GLY 55 14.985 -5.267 4.610 423 HA3 GLY 55 2HA GLY 55 15.542 -4.213 5.902 424 H ALA 56 H ALA 56 15.261 -4.829 8.049 425 HA ALA 56 HA ALA 56 13.777 -7.041 8.925 426 HB1 ALA 56 1HB ALA 56 16.639 -7.613 8.217 427 HB2 ALA 56 2HB ALA 56 15.756 -8.566 9.410 428 HB3 ALA 56 3HB ALA 56 15.189 -8.497 7.741 429 H VAL 57 H VAL 57 14.104 -7.516 11.176 430 HA VAL 57 HA VAL 57 15.968 -5.793 12.621 431 HB VAL 57 HB VAL 57 13.036 -5.854 13.335 432 HG11 VAL 57 1HG1 VAL 57 14.049 -5.325 15.305 433 HG12 VAL 57 2HG1 VAL 57 15.472 -4.639 14.518 434 HG13 VAL 57 3HG1 VAL 57 13.972 -3.714 14.591 435 HG21 VAL 57 3HG2 VAL 57 14.595 -3.667 11.959 436 HG22 VAL 57 1HG2 VAL 57 13.359 -4.681 11.214 437 HG23 VAL 57 2HG2 VAL 57 12.921 -3.560 12.503 438 H ALA 58 H ALA 58 13.142 -7.795 13.467 439 HA ALA 58 HA ALA 58 14.944 -9.530 15.023 440 HB1 ALA 58 1HB ALA 58 13.699 -7.987 16.501 441 HB2 ALA 58 2HB ALA 58 12.189 -8.665 15.891 442 HB3 ALA 58 3HB ALA 58 13.313 -9.683 16.792 443 H GLN 59 H GLN 59 14.210 -11.710 15.324 444 HA GLN 59 HA GLN 59 12.140 -12.563 13.415 445 HB2 GLN 59 1HB GLN 59 14.769 -13.968 13.913 446 HB3 GLN 59 2HB GLN 59 13.499 -14.504 12.821 447 HG2 GLN 59 1HG GLN 59 13.988 -12.922 11.247 448 HG3 GLN 59 2HG GLN 59 14.663 -11.799 12.427 449 HE21 GLN 59 2HE2 GLN 59 16.778 -12.177 13.217 450 HE22 GLN 59 1HE2 GLN 59 17.913 -13.104 12.302 451 H GLY 60 H GLY 60 10.704 -14.027 14.154 452 HA2 GLY 60 1HA GLY 60 11.294 -15.762 16.375 453 HA3 GLY 60 2HA GLY 60 10.198 -14.454 16.795 454 H TYR 61 H TYR 61 9.882 -17.448 16.557 455 HA TYR 61 HA TYR 61 7.942 -17.709 14.410 456 HB2 TYR 61 1HB TYR 61 7.915 -20.034 14.903 457 HB3 TYR 61 2HB TYR 61 9.594 -19.525 15.044 458 HD1 TYR 61 HD1 TYR 61 6.614 -20.607 16.901 459 HD2 TYR 61 HD2 TYR 61 10.726 -19.547 17.172 460 HE1 TYR 61 HE1 TYR 61 6.698 -21.540 19.175 461 HE2 TYR 61 HE2 TYR 61 10.822 -20.478 19.447 462 HH TYR 61 HH TYR 61 9.714 -21.525 21.056 463 H VAL 62 H VAL 62 5.758 -17.954 14.658 464 HA VAL 62 HA VAL 62 4.609 -17.992 17.336 465 HB VAL 62 HB VAL 62 3.017 -16.116 16.630 466 HG11 VAL 62 1HG1 VAL 62 4.583 -14.368 17.406 467 HG12 VAL 62 2HG1 VAL 62 4.638 -15.827 18.398 468 HG13 VAL 62 3HG1 VAL 62 5.912 -15.512 17.220 469 HG21 VAL 62 3HG2 VAL 62 3.652 -14.613 14.949 470 HG22 VAL 62 1HG2 VAL 62 5.282 -15.280 14.846 471 HG23 VAL 62 2HG2 VAL 62 3.911 -16.203 14.231 472 HA PRO 63 HA PRO 63 1.521 -20.486 15.463 473 HB2 PRO 63 1HB PRO 63 -0.653 -19.878 16.972 474 HB3 PRO 63 2HB PRO 63 0.695 -20.849 17.576 475 HG2 PRO 63 1HG PRO 63 0.119 -17.941 17.993 476 HG3 PRO 63 2HG PRO 63 0.675 -19.151 19.164 477 HD2 PRO 63 1HD PRO 63 2.353 -17.375 17.997 478 HD3 PRO 63 2HD PRO 63 2.865 -19.011 18.460 479 H HIS 64 H HIS 64 0.109 -20.393 13.797 480 HA HIS 64 HA HIS 64 -0.397 -17.965 12.482 481 HB2 HIS 64 1HB HIS 64 -0.410 -20.444 11.614 482 HB3 HIS 64 2HB HIS 64 -2.125 -20.366 12.009 483 HD1 HIS 64 HD1 HIS 64 -2.971 -20.409 9.618 484 HD2 HIS 64 HD2 HIS 64 -0.262 -17.343 10.339 485 HE1 HIS 64 HE1 HIS 64 -3.066 -18.936 7.582 486 H ASN 65 H ASN 65 -2.012 -19.487 15.076 487 HA ASN 65 HA ASN 65 -4.622 -18.438 14.638 488 HB2 ASN 65 1HB ASN 65 -3.747 -20.359 16.240 489 HB3 ASN 65 2HB ASN 65 -3.638 -19.033 17.395 490 HD21 ASN 65 2HD2 ASN 65 -5.654 -21.286 15.905 491 HD22 ASN 65 1HD2 ASN 65 -7.164 -20.711 16.516 492 H TYR 66 H TYR 66 -1.693 -17.100 15.802 493 HA TYR 66 HA TYR 66 -3.083 -14.847 17.063 494 HB2 TYR 66 1HB TYR 66 -0.888 -16.222 17.898 495 HB3 TYR 66 2HB TYR 66 -0.133 -14.876 17.052 496 HD1 TYR 66 HD2 TYR 66 -2.942 -15.422 19.465 497 HD2 TYR 66 HD1 TYR 66 0.392 -13.035 18.329 498 HE1 TYR 66 HE2 TYR 66 -3.303 -13.991 21.432 499 HE2 TYR 66 HE1 TYR 66 0.040 -11.598 20.293 500 HH TYR 66 HH TYR 66 -2.350 -12.391 22.745 501 H LEU 67 H LEU 67 -0.744 -15.598 14.518 502 HA LEU 67 HA LEU 67 -0.770 -12.826 13.612 503 HB2 LEU 67 1HB LEU 67 1.225 -14.640 13.719 504 HB3 LEU 67 2HB LEU 67 0.680 -14.870 12.058 505 HG LEU 67 HG LEU 67 2.557 -13.323 12.167 506 HD11 LEU 67 1HD1 LEU 67 0.221 -11.581 11.545 507 HD12 LEU 67 2HD1 LEU 67 0.472 -13.054 10.609 508 HD13 LEU 67 3HD1 LEU 67 1.726 -11.814 10.654 509 HD21 LEU 67 3HD2 LEU 67 1.244 -12.373 14.468 510 HD22 LEU 67 1HD2 LEU 67 1.254 -11.046 13.306 511 HD23 LEU 67 2HD2 LEU 67 2.769 -11.815 13.780 512 H ALA 68 H ALA 68 -1.636 -12.139 11.701 513 HA ALA 68 HA ALA 68 -3.017 -14.137 10.040 514 HB1 ALA 68 1HB ALA 68 -4.520 -12.835 11.669 515 HB2 ALA 68 2HB ALA 68 -4.249 -11.462 10.595 516 HB3 ALA 68 3HB ALA 68 -5.007 -12.929 9.976 517 H GLU 69 H GLU 69 -3.166 -13.665 7.843 518 HA GLU 69 HA GLU 69 -1.129 -11.871 6.860 519 HB2 GLU 69 1HB GLU 69 -1.700 -12.793 4.650 520 HB3 GLU 69 2HB GLU 69 -1.379 -14.059 5.828 521 HG2 GLU 69 1HG GLU 69 -4.046 -13.826 6.099 522 HG3 GLU 69 2HG GLU 69 -3.860 -13.378 4.404 523 H ARG 70 H ARG 70 -1.464 -9.815 6.368 524 HA ARG 70 HA ARG 70 -4.209 -8.943 5.754 525 HB2 ARG 70 1HB ARG 70 -1.945 -7.659 7.214 526 HB3 ARG 70 2HB ARG 70 -3.061 -6.625 6.333 527 HG2 ARG 70 1HG ARG 70 -4.892 -7.940 7.617 528 HG3 ARG 70 2HG ARG 70 -3.567 -8.367 8.702 529 HD2 ARG 70 1HD ARG 70 -4.217 -6.452 9.727 530 HD3 ARG 70 2HD ARG 70 -3.134 -5.740 8.532 531 HE ARG 70 HE ARG 70 -5.789 -5.963 7.535 532 HH11 ARG 70 1HH1 ARG 70 -3.748 -4.065 9.622 533 HH12 ARG 70 2HH1 ARG 70 -4.679 -2.617 9.431 534 HH21 ARG 70 1HH2 ARG 70 -7.023 -4.062 7.277 535 HH22 ARG 70 2HH2 ARG 70 -6.542 -2.616 8.098 536 H GLU 71 H GLU 71 -4.583 -8.450 3.704 537 HA GLU 71 HA GLU 71 -2.322 -7.794 1.959 538 HB2 GLU 71 1HB GLU 71 -5.152 -8.382 1.099 539 HB3 GLU 71 2HB GLU 71 -3.693 -8.428 0.119 540 HG2 GLU 71 1HG GLU 71 -2.987 -10.274 1.855 541 HG3 GLU 71 2HG GLU 71 -4.731 -10.408 2.074 542 H THR 72 H THR 72 -2.964 -6.239 0.109 543 HA THR 72 HA THR 72 -4.746 -4.099 0.951 544 HB THR 72 HB THR 72 -2.834 -2.427 0.396 545 HG1 THR 72 HG1 THR 72 -1.080 -3.546 -0.102 546 HG21 THR 72 3HG2 THR 72 -2.717 -3.953 2.998 547 HG22 THR 72 1HG2 THR 72 -3.931 -2.735 2.611 548 HG23 THR 72 2HG2 THR 72 -2.231 -2.280 2.725 Start of MODEL 15 1 H1 MET 1 H MET 1 -10.663 -4.657 -9.172 2 HA MET 1 HA MET 1 -12.080 -7.093 -8.557 3 HB2 MET 1 1HB MET 1 -11.375 -5.612 -11.058 4 HB3 MET 1 2HB MET 1 -11.857 -7.299 -11.171 5 HG2 MET 1 1HG MET 1 -13.916 -6.637 -9.837 6 HG3 MET 1 2HG MET 1 -13.454 -4.969 -10.168 7 HE1 MET 1 3HE MET 1 -15.553 -7.966 -12.679 8 HE2 MET 1 1HE MET 1 -13.834 -8.340 -12.797 9 HE3 MET 1 2HE MET 1 -14.608 -8.242 -11.216 10 H VAL 2 H VAL 2 -8.855 -6.158 -9.457 11 HA VAL 2 HA VAL 2 -8.067 -8.904 -10.031 12 HB VAL 2 HB VAL 2 -6.346 -6.423 -9.982 13 HG11 VAL 2 1HG1 VAL 2 -5.712 -9.177 -10.173 14 HG12 VAL 2 2HG1 VAL 2 -5.421 -8.447 -11.753 15 HG13 VAL 2 3HG1 VAL 2 -4.632 -7.791 -10.317 16 HG21 VAL 2 3HG2 VAL 2 -7.640 -5.865 -11.752 17 HG22 VAL 2 1HG2 VAL 2 -6.592 -7.008 -12.593 18 HG23 VAL 2 2HG2 VAL 2 -8.179 -7.523 -12.020 19 H SER 3 H SER 3 -7.578 -6.405 -7.596 20 HA SER 3 HA SER 3 -5.571 -7.663 -6.102 21 HB2 SER 3 1HB SER 3 -6.351 -5.282 -5.842 22 HB3 SER 3 2HB SER 3 -7.765 -5.902 -4.989 23 HG SER 3 HG SER 3 -5.971 -5.262 -3.621 24 H ARG 4 H ARG 4 -9.070 -8.020 -6.064 25 HA ARG 4 HA ARG 4 -9.172 -9.633 -3.718 26 HB2 ARG 4 1HB ARG 4 -11.084 -8.952 -5.915 27 HB3 ARG 4 2HB ARG 4 -11.464 -10.286 -4.834 28 HG2 ARG 4 1HG ARG 4 -11.376 -8.815 -2.922 29 HG3 ARG 4 2HG ARG 4 -10.870 -7.471 -3.947 30 HD2 ARG 4 1HD ARG 4 -12.963 -7.372 -5.024 31 HD3 ARG 4 2HD ARG 4 -13.445 -8.950 -4.402 32 HE ARG 4 HE ARG 4 -12.961 -7.029 -2.332 33 HH11 ARG 4 1HH1 ARG 4 -15.305 -8.209 -4.619 34 HH12 ARG 4 2HH1 ARG 4 -16.669 -7.665 -3.700 35 HH21 ARG 4 1HH2 ARG 4 -14.748 -6.309 -1.112 36 HH22 ARG 4 2HH2 ARG 4 -16.351 -6.584 -1.706 37 H ASP 5 H ASP 5 -8.545 -10.252 -7.068 38 HA ASP 5 HA ASP 5 -9.184 -12.985 -7.183 39 HB2 ASP 5 1HB ASP 5 -8.686 -11.525 -9.153 40 HB3 ASP 5 2HB ASP 5 -6.984 -11.574 -8.703 41 H GLN 6 H GLN 6 -6.298 -11.290 -6.100 42 HA GLN 6 HA GLN 6 -4.765 -13.699 -5.758 43 HB2 GLN 6 1HB GLN 6 -4.245 -10.908 -4.716 44 HB3 GLN 6 2HB GLN 6 -3.089 -12.234 -4.730 45 HG2 GLN 6 1HG GLN 6 -4.349 -11.201 -7.247 46 HG3 GLN 6 2HG GLN 6 -2.896 -10.478 -6.559 47 HE21 GLN 6 2HE2 GLN 6 -1.516 -11.044 -8.174 48 HE22 GLN 6 1HE2 GLN 6 -1.079 -12.677 -8.532 49 H ALA 7 H ALA 7 -6.491 -14.752 -4.457 50 HA ALA 7 HA ALA 7 -6.866 -13.817 -1.749 51 HB1 ALA 7 1HB ALA 7 -7.968 -15.992 -3.427 52 HB2 ALA 7 2HB ALA 7 -7.965 -16.246 -1.681 53 HB3 ALA 7 3HB ALA 7 -8.790 -14.846 -2.367 54 H HIS 8 H HIS 8 -4.770 -15.990 -3.431 55 HA HIS 8 HA HIS 8 -3.889 -17.258 -0.948 56 HB2 HIS 8 1HB HIS 8 -3.206 -17.792 -3.843 57 HB3 HIS 8 2HB HIS 8 -2.466 -18.644 -2.491 58 HD1 HIS 8 HD1 HIS 8 -5.895 -18.093 -4.017 59 HD2 HIS 8 HD2 HIS 8 -3.858 -20.820 -1.636 60 HE1 HIS 8 HE1 HIS 8 -7.470 -20.031 -3.717 61 H LEU 9 H LEU 9 -3.381 -14.412 -1.610 62 HA LEU 9 HA LEU 9 -0.435 -14.474 -1.643 63 HB2 LEU 9 1HB LEU 9 -2.418 -12.539 -2.742 64 HB3 LEU 9 2HB LEU 9 -0.844 -11.944 -2.217 65 HG LEU 9 HG LEU 9 -0.959 -12.369 -4.643 66 HD11 LEU 9 1HD1 LEU 9 1.173 -13.224 -4.794 67 HD12 LEU 9 2HD1 LEU 9 0.909 -14.403 -3.510 68 HD13 LEU 9 3HD1 LEU 9 1.120 -12.699 -3.111 69 HD21 LEU 9 3HD2 LEU 9 -1.375 -14.438 -5.574 70 HD22 LEU 9 1HD2 LEU 9 -2.511 -14.418 -4.226 71 HD23 LEU 9 2HD2 LEU 9 -0.993 -15.304 -4.086 72 H GLY 10 H GLY 10 0.505 -12.463 -0.496 73 HA2 GLY 10 1HA GLY 10 -0.606 -10.941 1.422 74 HA3 GLY 10 2HA GLY 10 -0.530 -12.509 2.212 75 HA PRO 11 HA PRO 11 4.029 -11.085 1.337 76 HB2 PRO 11 1HB PRO 11 4.336 -8.451 0.758 77 HB3 PRO 11 2HB PRO 11 4.114 -9.688 -0.485 78 HG2 PRO 11 1HG PRO 11 2.105 -7.810 0.697 79 HG3 PRO 11 2HG PRO 11 2.339 -8.276 -0.998 80 HD2 PRO 11 1HD PRO 11 0.399 -9.352 0.555 81 HD3 PRO 11 2HD PRO 11 1.203 -10.265 -0.739 82 H LYS 12 H LYS 12 1.600 -9.292 3.001 83 HA LYS 12 HA LYS 12 3.530 -8.681 5.142 84 HB2 LYS 12 1HB LYS 12 1.377 -6.999 3.940 85 HB3 LYS 12 2HB LYS 12 1.703 -6.831 5.660 86 HG2 LYS 12 1HG LYS 12 3.041 -5.201 4.722 87 HG3 LYS 12 2HG LYS 12 4.163 -6.547 4.933 88 HD2 LYS 12 1HD LYS 12 3.394 -7.148 2.493 89 HD3 LYS 12 2HD LYS 12 2.970 -5.435 2.436 90 HE2 LYS 12 1HE LYS 12 5.675 -6.384 3.336 91 HE3 LYS 12 2HE LYS 12 5.302 -6.098 1.637 92 HZ1 LYS 12 3HZ LYS 12 4.426 -3.863 3.003 93 HZ2 LYS 12 1HZ LYS 12 5.779 -3.979 1.993 94 HZ3 LYS 12 2HZ LYS 12 5.944 -4.223 3.658 95 H TYR 13 H TYR 13 2.994 -9.299 7.168 96 HA TYR 13 HA TYR 13 0.361 -10.576 7.520 97 HB2 TYR 13 1HB TYR 13 3.079 -11.308 8.584 98 HB3 TYR 13 2HB TYR 13 1.609 -11.878 9.367 99 HD1 TYR 13 HD2 TYR 13 -0.006 -13.285 8.031 100 HD2 TYR 13 HD1 TYR 13 3.907 -12.357 6.641 101 HE1 TYR 13 HE2 TYR 13 -0.136 -15.152 6.435 102 HE2 TYR 13 HE1 TYR 13 3.787 -14.220 5.040 103 HH TYR 13 HH TYR 13 0.970 -15.734 4.191 104 H VAL 14 H VAL 14 -0.868 -10.029 9.246 105 HA VAL 14 HA VAL 14 0.285 -8.218 11.255 106 HB VAL 14 HB VAL 14 -2.282 -7.800 9.729 107 HG11 VAL 14 1HG1 VAL 14 -1.344 -6.494 12.277 108 HG12 VAL 14 2HG1 VAL 14 -2.624 -5.846 11.250 109 HG13 VAL 14 3HG1 VAL 14 -2.825 -7.418 12.025 110 HG21 VAL 14 3HG2 VAL 14 -0.032 -6.965 8.856 111 HG22 VAL 14 1HG2 VAL 14 -1.335 -5.784 8.991 112 HG23 VAL 14 2HG2 VAL 14 -0.061 -5.834 10.209 113 H GLY 15 H GLY 15 -0.370 -8.561 13.320 114 HA2 GLY 15 1HA GLY 15 -2.595 -9.399 14.476 115 HA3 GLY 15 2HA GLY 15 -2.042 -10.914 13.776 116 H LEU 16 H LEU 16 -0.245 -8.270 15.333 117 HA LEU 16 HA LEU 16 0.595 -10.175 17.412 118 HB2 LEU 16 1HB LEU 16 2.238 -8.552 15.566 119 HB3 LEU 16 2HB LEU 16 2.776 -8.626 17.243 120 HG LEU 16 HG LEU 16 2.986 -11.028 17.114 121 HD11 LEU 16 1HD1 LEU 16 1.440 -11.963 15.757 122 HD12 LEU 16 2HD1 LEU 16 2.757 -11.876 14.588 123 HD13 LEU 16 3HD1 LEU 16 1.498 -10.641 14.591 124 HD21 LEU 16 3HD2 LEU 16 4.311 -9.380 15.001 125 HD22 LEU 16 1HD2 LEU 16 4.636 -11.110 15.109 126 HD23 LEU 16 2HD2 LEU 16 4.986 -10.060 16.482 127 H TRP 17 H TRP 17 -1.182 -9.060 18.557 128 HA TRP 17 HA TRP 17 -1.375 -6.406 19.170 129 HB2 TRP 17 1HB TRP 17 -2.728 -8.520 19.998 130 HB3 TRP 17 2HB TRP 17 -1.685 -8.361 21.409 131 HD1 TRP 17 HD1 TRP 17 -4.094 -6.101 19.361 132 HE1 TRP 17 HE1 TRP 17 -5.264 -4.505 21.006 133 HE3 TRP 17 HE3 TRP 17 -1.728 -7.501 23.671 134 HZ2 TRP 17 HZ2 TRP 17 -5.193 -3.916 23.766 135 HZ3 TRP 17 HZ3 TRP 17 -2.337 -6.372 25.771 136 HH2 TRP 17 HH2 TRP 17 -4.034 -4.616 25.815 137 H ASP 18 H ASP 18 -0.778 -5.244 21.178 138 HA ASP 18 HA ASP 18 1.933 -4.925 21.470 139 HB2 ASP 18 1HB ASP 18 -0.075 -3.506 22.364 140 HB3 ASP 18 2HB ASP 18 0.141 -4.461 23.829 141 H PHE 19 H PHE 19 3.238 -6.634 21.835 142 HA PHE 19 HA PHE 19 3.113 -7.865 24.466 143 HB2 PHE 19 1HB PHE 19 2.657 -9.325 21.908 144 HB3 PHE 19 2HB PHE 19 3.616 -10.124 23.150 145 HD1 PHE 19 HD2 PHE 19 2.519 -9.955 25.584 146 HD2 PHE 19 HD1 PHE 19 0.407 -9.732 21.896 147 HE1 PHE 19 HE2 PHE 19 0.455 -10.652 26.728 148 HE2 PHE 19 HE1 PHE 19 -1.661 -10.428 23.034 149 HZ PHE 19 HZ PHE 19 -1.638 -10.890 25.453 150 H LYS 20 H LYS 20 5.078 -7.722 25.298 151 HA LYS 20 HA LYS 20 7.395 -7.906 23.485 152 HB2 LYS 20 1HB LYS 20 6.959 -6.156 25.901 153 HB3 LYS 20 2HB LYS 20 8.561 -6.465 25.242 154 HG2 LYS 20 1HG LYS 20 8.064 -4.517 24.178 155 HG3 LYS 20 2HG LYS 20 7.427 -5.671 23.003 156 HD2 LYS 20 1HD LYS 20 5.191 -5.424 24.102 157 HD3 LYS 20 2HD LYS 20 5.878 -4.124 25.077 158 HE2 LYS 20 1HE LYS 20 6.042 -4.077 22.083 159 HE3 LYS 20 2HE LYS 20 4.601 -3.509 22.926 160 HZ1 LYS 20 3HZ LYS 20 6.353 -2.141 24.266 161 HZ2 LYS 20 1HZ LYS 20 5.802 -1.590 22.764 162 HZ3 LYS 20 2HZ LYS 20 7.301 -2.364 22.883 163 H SER 21 H SER 21 8.095 -9.947 23.764 164 HA SER 21 HA SER 21 8.235 -11.064 26.462 165 HB2 SER 21 1HB SER 21 8.313 -12.209 23.701 166 HB3 SER 21 2HB SER 21 9.075 -13.111 25.011 167 HG SER 21 HG SER 21 6.407 -12.151 25.086 168 H ARG 22 H ARG 22 10.280 -12.610 26.660 169 HA ARG 22 HA ARG 22 12.645 -10.994 25.965 170 HB2 ARG 22 1HB ARG 22 13.622 -11.989 28.115 171 HB3 ARG 22 2HB ARG 22 12.413 -10.724 28.286 172 HG2 ARG 22 1HG ARG 22 11.860 -12.353 29.880 173 HG3 ARG 22 2HG ARG 22 10.711 -12.578 28.559 174 HD2 ARG 22 1HD ARG 22 11.675 -14.551 27.876 175 HD3 ARG 22 2HD ARG 22 13.252 -14.134 28.546 176 HE ARG 22 HE ARG 22 12.619 -15.081 30.531 177 HH11 ARG 22 1HH1 ARG 22 9.794 -14.555 28.566 178 HH12 ARG 22 2HH1 ARG 22 8.734 -15.419 29.629 179 HH21 ARG 22 1HH2 ARG 22 11.233 -16.221 31.939 180 HH22 ARG 22 2HH2 ARG 22 9.553 -16.366 31.548 181 H THR 23 H THR 23 11.388 -13.317 24.599 182 HA THR 23 HA THR 23 13.808 -14.952 24.427 183 HB THR 23 HB THR 23 12.120 -16.962 24.138 184 HG1 THR 23 HG1 THR 23 10.751 -15.364 26.054 185 HG21 THR 23 3HG2 THR 23 13.816 -16.068 26.168 186 HG22 THR 23 1HG2 THR 23 13.155 -17.691 25.976 187 HG23 THR 23 2HG2 THR 23 12.317 -16.511 26.984 188 H ASP 24 H ASP 24 13.905 -16.247 22.459 189 HA ASP 24 HA ASP 24 13.074 -14.771 20.186 190 HB2 ASP 24 1HB ASP 24 14.380 -17.461 20.548 191 HB3 ASP 24 2HB ASP 24 13.930 -16.864 18.953 192 H GLU 25 H GLU 25 11.709 -17.435 21.941 193 HA GLU 25 HA GLU 25 10.047 -18.547 19.993 194 HB2 GLU 25 1HB GLU 25 8.879 -19.586 21.750 195 HB3 GLU 25 2HB GLU 25 10.515 -19.385 22.362 196 HG2 GLU 25 1HG GLU 25 9.758 -17.327 23.533 197 HG3 GLU 25 2HG GLU 25 8.112 -17.702 23.024 198 H GLU 26 H GLU 26 9.861 -15.529 21.636 199 HA GLU 26 HA GLU 26 7.228 -15.043 20.408 200 HB2 GLU 26 1HB GLU 26 8.198 -14.462 23.162 201 HB3 GLU 26 2HB GLU 26 7.138 -13.281 22.406 202 HG2 GLU 26 1HG GLU 26 5.735 -15.488 21.889 203 HG3 GLU 26 2HG GLU 26 6.564 -16.018 23.352 204 H LEU 27 H LEU 27 6.808 -12.819 19.809 205 HA LEU 27 HA LEU 27 9.252 -11.492 18.904 206 HB2 LEU 27 1HB LEU 27 6.386 -11.412 18.059 207 HB3 LEU 27 2HB LEU 27 7.468 -10.087 17.632 208 HG LEU 27 HG LEU 27 7.258 -11.658 15.793 209 HD11 LEU 27 1HD1 LEU 27 9.426 -11.507 15.219 210 HD12 LEU 27 2HD1 LEU 27 9.982 -12.315 16.684 211 HD13 LEU 27 3HD1 LEU 27 9.563 -10.603 16.727 212 HD21 LEU 27 3HD2 LEU 27 8.381 -13.711 17.697 213 HD22 LEU 27 1HD2 LEU 27 8.045 -13.951 15.982 214 HD23 LEU 27 2HD2 LEU 27 6.719 -13.655 17.107 215 H SER 28 H SER 28 9.621 -9.274 19.225 216 HA SER 28 HA SER 28 8.172 -8.147 21.528 217 HB2 SER 28 1HB SER 28 10.285 -6.749 21.809 218 HB3 SER 28 2HB SER 28 10.446 -8.472 22.145 219 HG SER 28 HG SER 28 12.035 -7.272 20.671 220 H PHE 29 H PHE 29 6.565 -7.369 19.976 221 HA PHE 29 HA PHE 29 7.142 -4.667 19.187 222 HB2 PHE 29 1HB PHE 29 7.125 -6.830 17.206 223 HB3 PHE 29 2HB PHE 29 6.033 -5.506 16.815 224 HD1 PHE 29 HD1 PHE 29 6.965 -3.165 16.715 225 HD2 PHE 29 HD2 PHE 29 9.430 -6.630 16.876 226 HE1 PHE 29 HE1 PHE 29 8.861 -1.852 15.858 227 HE2 PHE 29 HE2 PHE 29 11.330 -5.323 16.020 228 HZ PHE 29 HZ PHE 29 11.047 -2.930 15.511 229 H ARG 30 H ARG 30 5.185 -3.567 18.326 230 HA ARG 30 HA ARG 30 2.827 -4.584 19.715 231 HB2 ARG 30 1HB ARG 30 1.957 -2.361 19.587 232 HB3 ARG 30 2HB ARG 30 3.642 -2.239 20.075 233 HG2 ARG 30 1HG ARG 30 4.246 -1.710 17.742 234 HG3 ARG 30 2HG ARG 30 2.532 -1.743 17.321 235 HD2 ARG 30 1HD ARG 30 2.106 0.072 18.899 236 HD3 ARG 30 2HD ARG 30 3.812 0.094 19.343 237 HE ARG 30 HE ARG 30 3.410 0.465 16.539 238 HH11 ARG 30 1HH1 ARG 30 3.385 2.073 19.627 239 HH12 ARG 30 2HH1 ARG 30 3.727 3.636 18.962 240 HH21 ARG 30 1HH2 ARG 30 3.861 2.518 15.652 241 HH22 ARG 30 2HH2 ARG 30 3.996 3.888 16.701 242 H ALA 31 H ALA 31 0.677 -4.120 18.621 243 HA ALA 31 HA ALA 31 0.577 -5.556 16.174 244 HB1 ALA 31 1HB ALA 31 -1.380 -5.918 17.223 245 HB2 ALA 31 2HB ALA 31 -1.363 -4.348 18.026 246 HB3 ALA 31 3HB ALA 31 -1.893 -4.475 16.349 247 H GLY 32 H GLY 32 -0.675 -4.693 14.247 248 HA2 GLY 32 1HA GLY 32 -1.138 -3.006 12.694 249 HA3 GLY 32 2HA GLY 32 -0.365 -1.843 13.760 250 H ASP 33 H ASP 33 1.861 -4.085 13.807 251 HA ASP 33 HA ASP 33 3.444 -2.808 11.752 252 HB2 ASP 33 1HB ASP 33 3.968 -4.621 14.045 253 HB3 ASP 33 2HB ASP 33 5.097 -4.700 12.696 254 H VAL 34 H VAL 34 4.571 -3.947 10.087 255 HA VAL 34 HA VAL 34 3.080 -6.293 9.126 256 HB VAL 34 HB VAL 34 3.954 -5.727 6.887 257 HG11 VAL 34 1HG1 VAL 34 1.897 -4.539 8.253 258 HG12 VAL 34 2HG1 VAL 34 2.778 -3.154 7.605 259 HG13 VAL 34 3HG1 VAL 34 2.184 -4.410 6.518 260 HG21 VAL 34 3HG2 VAL 34 5.100 -3.313 8.288 261 HG22 VAL 34 1HG2 VAL 34 6.009 -4.614 7.519 262 HG23 VAL 34 2HG2 VAL 34 5.022 -3.529 6.540 263 H PHE 35 H PHE 35 4.106 -8.165 8.605 264 HA PHE 35 HA PHE 35 7.016 -8.269 8.588 265 HB2 PHE 35 1HB PHE 35 6.827 -10.328 10.162 266 HB3 PHE 35 2HB PHE 35 6.795 -8.715 10.867 267 HD1 PHE 35 HD1 PHE 35 4.699 -7.769 11.709 268 HD2 PHE 35 HD2 PHE 35 4.915 -11.754 10.230 269 HE1 PHE 35 HE1 PHE 35 2.551 -8.284 12.793 270 HE2 PHE 35 HE2 PHE 35 2.767 -12.275 11.312 271 HZ PHE 35 HZ PHE 35 1.582 -10.539 12.595 272 H HIS 36 H HIS 36 7.812 -10.453 7.945 273 HA HIS 36 HA HIS 36 5.865 -11.789 6.180 274 HB2 HIS 36 1HB HIS 36 7.670 -10.451 5.022 275 HB3 HIS 36 2HB HIS 36 8.839 -11.587 5.687 276 HD1 HIS 36 HD1 HIS 36 5.591 -11.918 3.712 277 HD2 HIS 36 HD2 HIS 36 9.439 -13.478 3.868 278 HE1 HIS 36 HE1 HIS 36 5.713 -13.596 1.843 279 H VAL 37 H VAL 37 6.350 -14.070 5.710 280 HA VAL 37 HA VAL 37 7.231 -15.422 8.143 281 HB VAL 37 HB VAL 37 6.274 -17.462 7.061 282 HG11 VAL 37 1HG1 VAL 37 4.840 -16.452 8.587 283 HG12 VAL 37 2HG1 VAL 37 4.613 -15.023 7.577 284 HG13 VAL 37 3HG1 VAL 37 3.859 -16.552 7.125 285 HG21 VAL 37 3HG2 VAL 37 6.306 -15.784 4.770 286 HG22 VAL 37 1HG2 VAL 37 5.824 -17.477 4.888 287 HG23 VAL 37 2HG2 VAL 37 4.629 -16.201 5.120 288 H ALA 38 H ALA 38 9.204 -16.236 8.307 289 HA ALA 38 HA ALA 38 10.969 -16.360 6.049 290 HB1 ALA 38 1HB ALA 38 12.355 -17.599 8.005 291 HB2 ALA 38 2HB ALA 38 12.257 -15.847 7.825 292 HB3 ALA 38 3HB ALA 38 11.200 -16.677 8.967 293 H ARG 39 H ARG 39 9.004 -18.621 7.827 294 HA ARG 39 HA ARG 39 9.450 -20.645 5.828 295 HB2 ARG 39 1HB ARG 39 11.326 -20.864 7.574 296 HB3 ARG 39 2HB ARG 39 10.068 -21.421 8.668 297 HG2 ARG 39 1HG ARG 39 10.807 -23.418 7.867 298 HG3 ARG 39 2HG ARG 39 9.543 -23.071 6.685 299 HD2 ARG 39 1HD ARG 39 12.285 -22.061 6.143 300 HD3 ARG 39 2HD ARG 39 11.988 -23.789 5.959 301 HE ARG 39 HE ARG 39 9.965 -22.687 4.561 302 HH11 ARG 39 1HH1 ARG 39 13.410 -22.181 4.537 303 HH12 ARG 39 2HH1 ARG 39 13.466 -21.750 2.860 304 HH21 ARG 39 1HH2 ARG 39 10.027 -22.122 2.351 305 HH22 ARG 39 2HH2 ARG 39 11.541 -21.717 1.618 306 H LYS 40 H LYS 40 7.710 -21.949 5.608 307 HA LYS 40 HA LYS 40 5.544 -21.607 7.572 308 HB2 LYS 40 1HB LYS 40 4.084 -22.404 5.635 309 HB3 LYS 40 2HB LYS 40 4.782 -20.795 5.497 310 HG2 LYS 40 1HG LYS 40 6.147 -21.379 3.780 311 HG3 LYS 40 2HG LYS 40 6.310 -23.049 4.329 312 HD2 LYS 40 1HD LYS 40 4.313 -23.701 3.351 313 HD3 LYS 40 2HD LYS 40 3.674 -22.055 3.322 314 HE2 LYS 40 1HE LYS 40 4.202 -22.622 1.081 315 HE3 LYS 40 2HE LYS 40 5.457 -21.512 1.630 316 HZ1 LYS 40 3HZ LYS 40 6.184 -23.576 0.366 317 HZ2 LYS 40 1HZ LYS 40 5.818 -24.442 1.772 318 HZ3 LYS 40 2HZ LYS 40 6.999 -23.232 1.808 319 H GLU 41 H GLU 41 5.500 -23.269 8.944 320 HA GLU 41 HA GLU 41 5.964 -25.976 7.884 321 HB2 GLU 41 1HB GLU 41 7.325 -24.844 9.882 322 HB3 GLU 41 2HB GLU 41 5.967 -25.461 10.814 323 HG2 GLU 41 1HG GLU 41 7.864 -27.009 10.777 324 HG3 GLU 41 2HG GLU 41 6.412 -27.706 10.060 325 H GLU 42 H GLU 42 4.705 -27.720 8.948 326 HA GLU 42 HA GLU 42 1.923 -27.108 8.854 327 HB2 GLU 42 1HB GLU 42 1.551 -29.437 9.144 328 HB3 GLU 42 2HB GLU 42 2.987 -29.282 8.141 329 HG2 GLU 42 1HG GLU 42 4.404 -29.720 10.061 330 HG3 GLU 42 2HG GLU 42 2.985 -29.818 11.102 331 H GLN 43 H GLN 43 4.272 -27.326 11.377 332 HA GLN 43 HA GLN 43 2.233 -27.464 13.459 333 HB2 GLN 43 1HB GLN 43 5.248 -27.375 13.662 334 HB3 GLN 43 2HB GLN 43 4.145 -27.584 15.015 335 HG2 GLN 43 1HG GLN 43 3.297 -29.651 13.816 336 HG3 GLN 43 2HG GLN 43 4.699 -29.481 12.760 337 HE21 GLN 43 2HE2 GLN 43 6.812 -29.217 13.979 338 HE22 GLN 43 1HE2 GLN 43 7.051 -30.266 15.331 339 H TRP 44 H TRP 44 5.173 -25.478 13.167 340 HA TRP 44 HA TRP 44 3.552 -23.141 13.942 341 HB2 TRP 44 1HB TRP 44 6.462 -23.537 14.644 342 HB3 TRP 44 2HB TRP 44 5.360 -22.310 15.264 343 HD1 TRP 44 HD1 TRP 44 6.002 -26.109 15.510 344 HE1 TRP 44 HE1 TRP 44 5.049 -26.939 17.753 345 HE3 TRP 44 HE3 TRP 44 3.778 -21.788 17.097 346 HZ2 TRP 44 HZ2 TRP 44 3.552 -25.900 19.908 347 HZ3 TRP 44 HZ3 TRP 44 2.605 -21.790 19.260 348 HH2 TRP 44 HH2 TRP 44 2.496 -23.805 20.635 349 H TRP 45 H TRP 45 4.082 -21.144 13.016 350 HA TRP 45 HA TRP 45 5.626 -21.368 10.525 351 HB2 TRP 45 1HB TRP 45 3.419 -19.486 11.365 352 HB3 TRP 45 2HB TRP 45 4.381 -19.244 9.909 353 HD1 TRP 45 HD1 TRP 45 3.787 -20.689 7.806 354 HE1 TRP 45 HE1 TRP 45 1.904 -22.362 7.273 355 HE3 TRP 45 HE3 TRP 45 1.923 -21.344 12.521 356 HZ2 TRP 45 HZ2 TRP 45 -0.105 -23.771 8.666 357 HZ3 TRP 45 HZ3 TRP 45 0.020 -22.871 12.835 358 HH2 TRP 45 HH2 TRP 45 -0.973 -24.058 10.947 359 H TRP 46 H TRP 46 7.399 -20.160 10.179 360 HA TRP 46 HA TRP 46 8.461 -18.640 12.397 361 HB2 TRP 46 1HB TRP 46 9.565 -19.423 9.701 362 HB3 TRP 46 2HB TRP 46 10.436 -18.360 10.804 363 HD1 TRP 46 HD1 TRP 46 8.505 -21.229 12.351 364 HE1 TRP 46 HE1 TRP 46 10.166 -22.981 13.244 365 HE3 TRP 46 HE3 TRP 46 12.815 -19.364 10.332 366 HZ2 TRP 46 HZ2 TRP 46 12.937 -23.502 13.111 367 HZ3 TRP 46 HZ3 TRP 46 14.929 -20.548 10.763 368 HH2 TRP 46 HH2 TRP 46 14.986 -22.574 12.125 369 H ALA 47 H ALA 47 8.176 -16.535 12.666 370 HA ALA 47 HA ALA 47 7.642 -14.870 10.292 371 HB1 ALA 47 1HB ALA 47 6.192 -13.471 11.668 372 HB2 ALA 47 2HB ALA 47 5.621 -15.140 11.637 373 HB3 ALA 47 3HB ALA 47 6.477 -14.526 13.052 374 H THR 48 H THR 48 8.723 -12.962 10.111 375 HA THR 48 HA THR 48 10.627 -12.304 12.264 376 HB THR 48 HB THR 48 11.086 -11.922 9.300 377 HG1 THR 48 HG1 THR 48 11.834 -13.952 11.114 378 HG21 THR 48 3HG2 THR 48 12.885 -11.522 11.691 379 HG22 THR 48 1HG2 THR 48 12.255 -10.266 10.626 380 HG23 THR 48 2HG2 THR 48 13.411 -11.447 10.010 381 H LEU 49 H LEU 49 10.513 -10.302 13.056 382 HA LEU 49 HA LEU 49 8.575 -8.458 11.989 383 HB2 LEU 49 1HB LEU 49 9.901 -8.894 14.479 384 HB3 LEU 49 2HB LEU 49 10.141 -7.217 13.990 385 HG LEU 49 HG LEU 49 8.173 -7.661 15.499 386 HD11 LEU 49 1HD1 LEU 49 7.076 -5.880 14.630 387 HD12 LEU 49 2HD1 LEU 49 7.075 -6.533 12.993 388 HD13 LEU 49 3HD1 LEU 49 8.533 -5.783 13.642 389 HD21 LEU 49 3HD2 LEU 49 7.627 -9.766 13.979 390 HD22 LEU 49 1HD2 LEU 49 6.646 -8.575 13.124 391 HD23 LEU 49 2HD2 LEU 49 6.366 -8.879 14.839 392 H LEU 50 H LEU 50 8.977 -6.994 10.481 393 HA LEU 50 HA LEU 50 11.741 -6.021 10.164 394 HB2 LEU 50 1HB LEU 50 9.802 -5.868 7.919 395 HB3 LEU 50 2HB LEU 50 11.554 -6.056 7.885 396 HG LEU 50 HG LEU 50 9.563 -8.222 8.560 397 HD11 LEU 50 1HD1 LEU 50 9.680 -7.423 6.158 398 HD12 LEU 50 2HD1 LEU 50 9.988 -9.137 6.433 399 HD13 LEU 50 3HD1 LEU 50 11.333 -8.036 6.139 400 HD21 LEU 50 3HD2 LEU 50 11.860 -8.280 9.669 401 HD22 LEU 50 1HD2 LEU 50 12.504 -8.551 8.050 402 HD23 LEU 50 2HD2 LEU 50 11.369 -9.704 8.751 403 H ASP 51 H ASP 51 11.920 -3.825 9.243 404 HA ASP 51 HA ASP 51 10.282 -2.001 10.699 405 HB2 ASP 51 1HB ASP 51 11.618 -0.258 9.458 406 HB3 ASP 51 2HB ASP 51 12.576 -1.414 10.378 407 H GLU 52 H GLU 52 9.644 0.102 9.292 408 HA GLU 52 HA GLU 52 7.324 -0.603 7.901 409 HB2 GLU 52 1HB GLU 52 8.632 2.011 7.315 410 HB3 GLU 52 2HB GLU 52 6.945 1.654 7.657 411 HG2 GLU 52 1HG GLU 52 7.971 1.046 10.034 412 HG3 GLU 52 2HG GLU 52 9.181 2.214 9.507 413 H ALA 53 H ALA 53 10.586 0.017 6.784 414 HA ALA 53 HA ALA 53 9.887 0.095 4.001 415 HB1 ALA 53 1HB ALA 53 11.980 0.809 3.703 416 HB2 ALA 53 2HB ALA 53 12.085 0.863 5.464 417 HB3 ALA 53 3HB ALA 53 12.663 -0.555 4.589 418 H GLY 54 H GLY 54 9.961 -2.374 6.202 419 HA2 GLY 54 1HA GLY 54 9.622 -4.639 5.836 420 HA3 GLY 54 2HA GLY 54 9.889 -4.369 4.120 421 H GLY 55 H GLY 55 12.189 -3.304 6.521 422 HA2 GLY 55 1HA GLY 55 14.250 -4.894 5.281 423 HA3 GLY 55 2HA GLY 55 14.459 -3.766 6.613 424 H ALA 56 H ALA 56 14.366 -4.495 8.712 425 HA ALA 56 HA ALA 56 13.379 -6.976 9.552 426 HB1 ALA 56 1HB ALA 56 16.275 -6.955 8.767 427 HB2 ALA 56 2HB ALA 56 15.656 -8.060 9.996 428 HB3 ALA 56 3HB ALA 56 15.022 -8.125 8.351 429 H VAL 57 H VAL 57 13.626 -7.305 11.782 430 HA VAL 57 HA VAL 57 15.270 -5.411 13.276 431 HB VAL 57 HB VAL 57 12.339 -5.723 13.915 432 HG11 VAL 57 1HG1 VAL 57 13.300 -5.050 15.879 433 HG12 VAL 57 2HG1 VAL 57 14.619 -4.201 15.072 434 HG13 VAL 57 3HG1 VAL 57 13.010 -3.481 15.128 435 HG21 VAL 57 3HG2 VAL 57 13.715 -3.467 12.459 436 HG22 VAL 57 1HG2 VAL 57 12.549 -4.597 11.771 437 HG23 VAL 57 2HG2 VAL 57 12.042 -3.457 13.017 438 H ALA 58 H ALA 58 12.599 -7.651 14.027 439 HA ALA 58 HA ALA 58 14.470 -9.157 15.737 440 HB1 ALA 58 1HB ALA 58 12.794 -9.462 17.383 441 HB2 ALA 58 2HB ALA 58 12.797 -7.744 16.983 442 HB3 ALA 58 3HB ALA 58 11.543 -8.798 16.332 443 H GLN 59 H GLN 59 13.777 -11.416 16.153 444 HA GLN 59 HA GLN 59 12.167 -12.541 13.968 445 HB2 GLN 59 1HB GLN 59 14.822 -13.647 14.899 446 HB3 GLN 59 2HB GLN 59 13.790 -14.337 13.653 447 HG2 GLN 59 1HG GLN 59 14.454 -12.862 12.090 448 HG3 GLN 59 2HG GLN 59 14.594 -11.536 13.243 449 HE21 GLN 59 2HE2 GLN 59 16.532 -11.092 14.155 450 HE22 GLN 59 1HE2 GLN 59 17.997 -11.922 13.766 451 H GLY 60 H GLY 60 10.943 -14.319 14.484 452 HA2 GLY 60 1HA GLY 60 11.332 -15.824 16.886 453 HA3 GLY 60 2HA GLY 60 10.017 -14.669 17.048 454 H TYR 61 H TYR 61 9.069 -16.984 17.413 455 HA TYR 61 HA TYR 61 7.873 -17.796 14.851 456 HB2 TYR 61 1HB TYR 61 8.484 -19.772 17.040 457 HB3 TYR 61 2HB TYR 61 8.056 -20.096 15.364 458 HD1 TYR 61 HD2 TYR 61 9.859 -18.462 13.824 459 HD2 TYR 61 HD1 TYR 61 10.608 -20.597 17.427 460 HE1 TYR 61 HE2 TYR 61 12.244 -18.601 13.239 461 HE2 TYR 61 HE1 TYR 61 12.995 -20.741 16.853 462 HH TYR 61 HH TYR 61 14.195 -19.774 13.731 463 H VAL 62 H VAL 62 5.709 -18.162 14.871 464 HA VAL 62 HA VAL 62 4.273 -18.448 17.373 465 HB VAL 62 HB VAL 62 2.691 -16.553 16.680 466 HG11 VAL 62 1HG1 VAL 62 3.932 -14.930 17.942 467 HG12 VAL 62 2HG1 VAL 62 4.230 -16.526 18.633 468 HG13 VAL 62 3HG1 VAL 62 5.448 -15.766 17.609 469 HG21 VAL 62 3HG2 VAL 62 3.767 -16.298 14.420 470 HG22 VAL 62 1HG2 VAL 62 3.547 -14.799 15.324 471 HG23 VAL 62 2HG2 VAL 62 5.140 -15.553 15.240 472 HA PRO 63 HA PRO 63 1.517 -20.810 14.904 473 HB2 PRO 63 1HB PRO 63 -0.835 -20.432 16.206 474 HB3 PRO 63 2HB PRO 63 0.475 -21.424 16.857 475 HG2 PRO 63 1HG PRO 63 -0.262 -18.596 17.507 476 HG3 PRO 63 2HG PRO 63 0.207 -19.909 18.602 477 HD2 PRO 63 1HD PRO 63 1.932 -17.970 17.830 478 HD3 PRO 63 2HD PRO 63 2.455 -19.631 18.175 479 H HIS 64 H HIS 64 -0.056 -20.679 13.293 480 HA HIS 64 HA HIS 64 -0.296 -18.262 11.922 481 HB2 HIS 64 1HB HIS 64 -1.896 -19.398 10.492 482 HB3 HIS 64 2HB HIS 64 -0.578 -20.497 10.888 483 HD1 HIS 64 HD1 HIS 64 -3.853 -20.907 10.237 484 HD2 HIS 64 HD2 HIS 64 -1.670 -21.741 13.672 485 HE1 HIS 64 HE1 HIS 64 -5.182 -22.649 11.472 486 H ASN 65 H ASN 65 -2.251 -19.650 14.442 487 HA ASN 65 HA ASN 65 -4.578 -18.087 14.051 488 HB2 ASN 65 1HB ASN 65 -4.232 -20.207 15.508 489 HB3 ASN 65 2HB ASN 65 -3.694 -19.078 16.748 490 HD21 ASN 65 2HD2 ASN 65 -5.500 -19.856 17.975 491 HD22 ASN 65 1HD2 ASN 65 -7.078 -19.212 17.688 492 H TYR 66 H TYR 66 -1.482 -17.361 15.318 493 HA TYR 66 HA TYR 66 -2.324 -15.141 16.950 494 HB2 TYR 66 1HB TYR 66 -0.171 -16.636 17.140 495 HB3 TYR 66 2HB TYR 66 0.492 -15.481 15.988 496 HD1 TYR 66 HD2 TYR 66 -1.670 -15.184 19.030 497 HD2 TYR 66 HD1 TYR 66 1.875 -13.960 17.021 498 HE1 TYR 66 HE2 TYR 66 -1.163 -13.641 20.877 499 HE2 TYR 66 HE1 TYR 66 2.393 -12.415 18.864 500 HH TYR 66 HH TYR 66 1.401 -11.307 20.672 501 H LEU 67 H LEU 67 -0.270 -15.340 14.036 502 HA LEU 67 HA LEU 67 -1.046 -12.589 13.382 503 HB2 LEU 67 1HB LEU 67 0.881 -12.490 11.989 504 HB3 LEU 67 2HB LEU 67 1.365 -13.172 13.540 505 HG LEU 67 HG LEU 67 0.900 -15.433 12.126 506 HD11 LEU 67 1HD1 LEU 67 0.764 -13.502 10.169 507 HD12 LEU 67 2HD1 LEU 67 1.087 -15.216 9.917 508 HD13 LEU 67 3HD1 LEU 67 2.427 -14.078 10.057 509 HD21 LEU 67 3HD2 LEU 67 3.120 -15.788 12.398 510 HD22 LEU 67 1HD2 LEU 67 2.984 -14.341 13.396 511 HD23 LEU 67 2HD2 LEU 67 3.568 -14.215 11.737 512 H ALA 68 H ALA 68 -2.016 -12.048 11.467 513 HA ALA 68 HA ALA 68 -2.715 -14.251 9.645 514 HB1 ALA 68 1HB ALA 68 -4.687 -12.071 10.133 515 HB2 ALA 68 2HB ALA 68 -4.951 -13.738 9.620 516 HB3 ALA 68 3HB ALA 68 -4.553 -13.385 11.301 517 H GLU 69 H GLU 69 -2.592 -13.805 7.504 518 HA GLU 69 HA GLU 69 -1.061 -11.674 6.586 519 HB2 GLU 69 1HB GLU 69 -1.622 -12.383 4.366 520 HB3 GLU 69 2HB GLU 69 -1.478 -13.819 5.370 521 HG2 GLU 69 1HG GLU 69 -3.386 -14.327 4.255 522 HG3 GLU 69 2HG GLU 69 -4.076 -13.474 5.635 523 H ARG 70 H ARG 70 -1.475 -9.621 6.066 524 HA ARG 70 HA ARG 70 -4.279 -8.791 5.743 525 HB2 ARG 70 1HB ARG 70 -2.247 -7.808 7.653 526 HB3 ARG 70 2HB ARG 70 -3.183 -6.568 6.830 527 HG2 ARG 70 1HG ARG 70 -5.199 -8.113 7.562 528 HG3 ARG 70 2HG ARG 70 -4.046 -8.602 8.805 529 HD2 ARG 70 1HD ARG 70 -3.706 -6.149 9.284 530 HD3 ARG 70 2HD ARG 70 -5.084 -5.836 8.230 531 HE ARG 70 HE ARG 70 -5.149 -6.886 10.906 532 HH11 ARG 70 1HH1 ARG 70 -6.837 -6.666 7.870 533 HH12 ARG 70 2HH1 ARG 70 -8.399 -6.939 8.569 534 HH21 ARG 70 1HH2 ARG 70 -7.199 -7.246 11.839 535 HH22 ARG 70 2HH2 ARG 70 -8.603 -7.268 10.827 536 H GLU 71 H GLU 71 -3.660 -9.032 3.451 537 HA GLU 71 HA GLU 71 -1.679 -7.627 2.143 538 HB2 GLU 71 1HB GLU 71 -4.465 -8.041 1.057 539 HB3 GLU 71 2HB GLU 71 -2.978 -7.866 0.136 540 HG2 GLU 71 1HG GLU 71 -2.354 -10.006 1.646 541 HG3 GLU 71 2HG GLU 71 -4.098 -10.217 1.500 542 H THR 72 H THR 72 -1.901 -5.704 0.734 543 HA THR 72 HA THR 72 -2.480 -3.409 2.168 544 HB THR 72 HB THR 72 -2.652 -3.456 -0.835 545 HG1 THR 72 HG1 THR 72 -0.429 -3.581 -0.919 546 HG21 THR 72 3HG2 THR 72 -1.946 -1.480 1.281 547 HG22 THR 72 1HG2 THR 72 -2.913 -1.271 -0.178 548 HG23 THR 72 2HG2 THR 72 -1.155 -1.350 -0.289 Start of MODEL 16 1 H1 MET 1 H MET 1 10.073 3.909 -9.852 2 HA MET 1 HA MET 1 7.158 3.516 -9.682 3 HB2 MET 1 1HB MET 1 8.113 5.197 -11.383 4 HB3 MET 1 2HB MET 1 8.684 3.784 -12.261 5 HG2 MET 1 1HG MET 1 6.580 3.125 -12.855 6 HG3 MET 1 2HG MET 1 5.827 3.892 -11.458 7 HE1 MET 1 3HE MET 1 4.918 5.031 -15.250 8 HE2 MET 1 1HE MET 1 4.780 3.683 -14.120 9 HE3 MET 1 2HE MET 1 3.854 5.159 -13.848 10 H VAL 2 H VAL 2 8.964 1.605 -8.688 11 HA VAL 2 HA VAL 2 8.056 -0.719 -10.016 12 HB VAL 2 HB VAL 2 9.764 -0.143 -11.665 13 HG11 VAL 2 1HG1 VAL 2 12.020 0.193 -11.181 14 HG12 VAL 2 2HG1 VAL 2 11.185 1.072 -9.898 15 HG13 VAL 2 3HG1 VAL 2 11.879 -0.517 -9.573 16 HG21 VAL 2 3HG2 VAL 2 10.094 -2.324 -11.930 17 HG22 VAL 2 1HG2 VAL 2 11.249 -2.343 -10.597 18 HG23 VAL 2 2HG2 VAL 2 9.531 -2.584 -10.279 19 H SER 3 H SER 3 7.988 -2.314 -8.565 20 HA SER 3 HA SER 3 9.280 -1.925 -6.001 21 HB2 SER 3 1HB SER 3 7.991 -4.068 -5.438 22 HB3 SER 3 2HB SER 3 7.031 -2.640 -5.822 23 HG SER 3 HG SER 3 6.323 -4.562 -6.907 24 H ARG 4 H ARG 4 11.278 -2.621 -5.672 25 HA ARG 4 HA ARG 4 12.468 -4.645 -7.341 26 HB2 ARG 4 1HB ARG 4 13.463 -2.971 -5.046 27 HB3 ARG 4 2HB ARG 4 14.434 -4.272 -5.722 28 HG2 ARG 4 1HG ARG 4 14.468 -3.199 -7.874 29 HG3 ARG 4 2HG ARG 4 13.359 -1.949 -7.305 30 HD2 ARG 4 1HD ARG 4 16.074 -2.452 -6.101 31 HD3 ARG 4 2HD ARG 4 15.777 -1.279 -7.383 32 HE ARG 4 HE ARG 4 14.033 -0.846 -5.189 33 HH11 ARG 4 1HH1 ARG 4 17.327 -0.409 -6.224 34 HH12 ARG 4 2HH1 ARG 4 17.606 0.958 -5.197 35 HH21 ARG 4 1HH2 ARG 4 14.387 0.952 -3.831 36 HH22 ARG 4 2HH2 ARG 4 15.934 1.731 -3.835 37 H ASP 5 H ASP 5 11.391 -4.377 -3.990 38 HA ASP 5 HA ASP 5 11.949 -7.242 -3.621 39 HB2 ASP 5 1HB ASP 5 11.491 -5.073 -1.561 40 HB3 ASP 5 2HB ASP 5 11.769 -6.773 -1.192 41 H GLN 6 H GLN 6 10.362 -8.526 -2.479 42 HA GLN 6 HA GLN 6 8.265 -9.381 -2.259 43 HB2 GLN 6 1HB GLN 6 8.275 -7.208 -0.756 44 HB3 GLN 6 2HB GLN 6 7.120 -6.640 -1.955 45 HG2 GLN 6 1HG GLN 6 6.685 -9.319 -0.754 46 HG3 GLN 6 2HG GLN 6 6.359 -7.895 0.234 47 HE21 GLN 6 2HE2 GLN 6 4.947 -6.241 -0.782 48 HE22 GLN 6 1HE2 GLN 6 3.622 -6.796 -1.742 49 H ALA 7 H ALA 7 9.049 -9.039 -4.868 50 HA ALA 7 HA ALA 7 6.966 -7.707 -6.360 51 HB1 ALA 7 1HB ALA 7 9.588 -8.620 -6.897 52 HB2 ALA 7 2HB ALA 7 8.500 -9.445 -8.014 53 HB3 ALA 7 3HB ALA 7 8.520 -7.683 -7.942 54 H HIS 8 H HIS 8 7.892 -11.033 -5.599 55 HA HIS 8 HA HIS 8 5.331 -11.933 -6.745 56 HB2 HIS 8 1HB HIS 8 6.430 -14.166 -6.995 57 HB3 HIS 8 2HB HIS 8 7.149 -12.904 -7.990 58 HD1 HIS 8 HD1 HIS 8 9.489 -11.965 -7.164 59 HD2 HIS 8 HD2 HIS 8 8.137 -15.373 -5.210 60 HE1 HIS 8 HE1 HIS 8 11.497 -12.896 -5.970 61 H LEU 9 H LEU 9 7.427 -11.914 -3.983 62 HA LEU 9 HA LEU 9 6.440 -13.999 -2.462 63 HB2 LEU 9 1HB LEU 9 7.363 -11.265 -1.599 64 HB3 LEU 9 2HB LEU 9 7.055 -12.595 -0.485 65 HG LEU 9 HG LEU 9 9.080 -12.774 -2.704 66 HD11 LEU 9 1HD1 LEU 9 10.784 -12.250 -1.038 67 HD12 LEU 9 2HD1 LEU 9 9.527 -11.925 0.154 68 HD13 LEU 9 3HD1 LEU 9 9.678 -10.895 -1.270 69 HD21 LEU 9 3HD2 LEU 9 9.933 -14.629 -1.474 70 HD22 LEU 9 1HD2 LEU 9 8.192 -14.860 -1.643 71 HD23 LEU 9 2HD2 LEU 9 8.862 -14.295 -0.112 72 H GLY 10 H GLY 10 5.029 -13.827 -0.498 73 HA2 GLY 10 1HA GLY 10 2.457 -12.812 -1.293 74 HA3 GLY 10 2HA GLY 10 2.823 -13.688 0.186 75 HA PRO 11 HA PRO 11 2.067 -9.106 1.015 76 HB2 PRO 11 1HB PRO 11 -0.173 -9.419 2.518 77 HB3 PRO 11 2HB PRO 11 -0.215 -9.210 0.763 78 HG2 PRO 11 1HG PRO 11 -0.411 -11.724 2.377 79 HG3 PRO 11 2HG PRO 11 -1.353 -11.228 0.958 80 HD2 PRO 11 1HD PRO 11 0.715 -12.969 0.798 81 HD3 PRO 11 2HD PRO 11 0.306 -11.849 -0.517 82 H LYS 12 H LYS 12 1.449 -8.270 3.389 83 HA LYS 12 HA LYS 12 3.394 -9.536 5.139 84 HB2 LYS 12 1HB LYS 12 1.937 -6.913 5.145 85 HB3 LYS 12 2HB LYS 12 2.718 -7.490 6.611 86 HG2 LYS 12 1HG LYS 12 4.089 -7.061 3.964 87 HG3 LYS 12 2HG LYS 12 4.138 -5.954 5.338 88 HD2 LYS 12 1HD LYS 12 5.062 -7.916 6.676 89 HD3 LYS 12 2HD LYS 12 5.297 -8.721 5.123 90 HE2 LYS 12 1HE LYS 12 6.330 -5.956 5.392 91 HE3 LYS 12 2HE LYS 12 7.180 -7.222 6.275 92 HZ1 LYS 12 3HZ LYS 12 7.726 -8.325 4.321 93 HZ2 LYS 12 1HZ LYS 12 7.933 -6.697 3.910 94 HZ3 LYS 12 2HZ LYS 12 6.547 -7.527 3.408 95 H TYR 13 H TYR 13 2.843 -9.690 7.506 96 HA TYR 13 HA TYR 13 0.114 -10.759 7.815 97 HB2 TYR 13 1HB TYR 13 2.765 -11.722 8.813 98 HB3 TYR 13 2HB TYR 13 1.323 -12.055 9.766 99 HD1 TYR 13 HD2 TYR 13 -0.646 -13.192 8.519 100 HD2 TYR 13 HD1 TYR 13 3.353 -13.142 7.066 101 HE1 TYR 13 HE2 TYR 13 -1.147 -15.131 7.091 102 HE2 TYR 13 HE1 TYR 13 2.863 -15.080 5.633 103 HH TYR 13 HH TYR 13 0.965 -16.185 4.617 104 H VAL 14 H VAL 14 -1.123 -10.031 9.450 105 HA VAL 14 HA VAL 14 0.102 -8.474 11.603 106 HB VAL 14 HB VAL 14 -1.954 -7.439 9.675 107 HG11 VAL 14 1HG1 VAL 14 -3.033 -7.114 11.766 108 HG12 VAL 14 2HG1 VAL 14 -1.535 -6.578 12.530 109 HG13 VAL 14 3HG1 VAL 14 -2.317 -5.567 11.315 110 HG21 VAL 14 3HG2 VAL 14 0.790 -6.902 10.267 111 HG22 VAL 14 1HG2 VAL 14 -0.230 -6.212 9.005 112 HG23 VAL 14 2HG2 VAL 14 -0.169 -5.460 10.599 113 H GLY 15 H GLY 15 -0.863 -8.757 13.541 114 HA2 GLY 15 1HA GLY 15 -3.104 -9.005 14.665 115 HA3 GLY 15 2HA GLY 15 -3.352 -10.348 13.559 116 H LEU 16 H LEU 16 -0.447 -9.456 15.386 117 HA LEU 16 HA LEU 16 -0.392 -12.166 16.485 118 HB2 LEU 16 1HB LEU 16 1.591 -11.168 15.303 119 HB3 LEU 16 2HB LEU 16 1.743 -10.050 16.657 120 HG LEU 16 HG LEU 16 2.348 -11.782 18.146 121 HD11 LEU 16 1HD1 LEU 16 1.597 -13.727 15.969 122 HD12 LEU 16 2HD1 LEU 16 0.721 -13.449 17.474 123 HD13 LEU 16 3HD1 LEU 16 2.338 -14.152 17.512 124 HD21 LEU 16 3HD2 LEU 16 3.862 -11.153 15.952 125 HD22 LEU 16 1HD2 LEU 16 3.860 -12.917 15.922 126 HD23 LEU 16 2HD2 LEU 16 4.422 -12.060 17.358 127 H TRP 17 H TRP 17 0.709 -9.057 17.819 128 HA TRP 17 HA TRP 17 -1.146 -8.864 19.893 129 HB2 TRP 17 1HB TRP 17 0.352 -11.037 20.403 130 HB3 TRP 17 2HB TRP 17 1.378 -9.808 21.139 131 HD1 TRP 17 HD1 TRP 17 0.953 -9.876 23.658 132 HE1 TRP 17 HE1 TRP 17 -1.121 -9.970 25.179 133 HE3 TRP 17 HE3 TRP 17 -2.664 -10.317 20.073 134 HZ2 TRP 17 HZ2 TRP 17 -3.920 -10.202 24.897 135 HZ3 TRP 17 HZ3 TRP 17 -5.015 -10.470 20.782 136 HH2 TRP 17 HH2 TRP 17 -5.628 -10.414 23.145 137 H ASP 18 H ASP 18 -0.136 -7.514 21.807 138 HA ASP 18 HA ASP 18 1.744 -5.574 20.628 139 HB2 ASP 18 1HB ASP 18 -0.704 -4.838 20.868 140 HB3 ASP 18 2HB ASP 18 -0.407 -4.835 22.604 141 H PHE 19 H PHE 19 3.283 -7.082 21.751 142 HA PHE 19 HA PHE 19 3.870 -6.000 24.388 143 HB2 PHE 19 1HB PHE 19 2.808 -8.655 23.977 144 HB3 PHE 19 2HB PHE 19 4.427 -8.739 24.665 145 HD1 PHE 19 HD2 PHE 19 4.902 -7.692 26.842 146 HD2 PHE 19 HD1 PHE 19 0.961 -7.860 25.242 147 HE1 PHE 19 HE2 PHE 19 3.981 -7.197 29.068 148 HE2 PHE 19 HE1 PHE 19 0.033 -7.363 27.466 149 HZ PHE 19 HZ PHE 19 1.544 -7.032 29.383 150 H LYS 20 H LYS 20 6.026 -5.890 24.834 151 HA LYS 20 HA LYS 20 7.825 -6.722 22.668 152 HB2 LYS 20 1HB LYS 20 8.395 -4.780 24.911 153 HB3 LYS 20 2HB LYS 20 9.361 -5.045 23.466 154 HG2 LYS 20 1HG LYS 20 6.533 -4.042 23.356 155 HG3 LYS 20 2HG LYS 20 7.925 -2.968 23.505 156 HD2 LYS 20 1HD LYS 20 8.275 -4.925 21.391 157 HD3 LYS 20 2HD LYS 20 6.832 -3.938 21.150 158 HE2 LYS 20 1HE LYS 20 9.618 -2.894 21.650 159 HE3 LYS 20 2HE LYS 20 8.810 -2.952 20.084 160 HZ1 LYS 20 3HZ LYS 20 8.467 -0.792 20.813 161 HZ2 LYS 20 1HZ LYS 20 8.187 -1.254 22.416 162 HZ3 LYS 20 2HZ LYS 20 7.019 -1.559 21.232 163 H SER 21 H SER 21 8.462 -8.766 23.103 164 HA SER 21 HA SER 21 9.248 -9.495 25.815 165 HB2 SER 21 1HB SER 21 8.958 -11.108 23.274 166 HB3 SER 21 2HB SER 21 9.544 -11.785 24.793 167 HG SER 21 HG SER 21 7.090 -10.399 24.655 168 H ARG 22 H ARG 22 11.267 -11.003 25.872 169 HA ARG 22 HA ARG 22 13.432 -9.643 24.406 170 HB2 ARG 22 1HB ARG 22 13.502 -10.879 27.166 171 HB3 ARG 22 2HB ARG 22 14.883 -10.173 26.337 172 HG2 ARG 22 1HG ARG 22 14.165 -8.032 26.661 173 HG3 ARG 22 2HG ARG 22 12.462 -8.494 26.706 174 HD2 ARG 22 1HD ARG 22 12.746 -8.088 28.919 175 HD3 ARG 22 2HD ARG 22 13.290 -9.765 28.898 176 HE ARG 22 HE ARG 22 15.423 -7.923 28.431 177 HH11 ARG 22 1HH1 ARG 22 13.465 -9.398 30.903 178 HH12 ARG 22 2HH1 ARG 22 14.662 -9.217 32.142 179 HH21 ARG 22 1HH2 ARG 22 17.007 -7.679 30.054 180 HH22 ARG 22 2HH2 ARG 22 16.676 -8.238 31.659 181 H THR 23 H THR 23 11.898 -12.615 25.102 182 HA THR 23 HA THR 23 14.167 -14.263 24.367 183 HB THR 23 HB THR 23 12.228 -16.063 24.395 184 HG1 THR 23 HG1 THR 23 10.638 -15.345 25.985 185 HG21 THR 23 3HG2 THR 23 13.477 -16.616 26.157 186 HG22 THR 23 1HG2 THR 23 12.507 -15.514 27.133 187 HG23 THR 23 2HG2 THR 23 13.994 -14.944 26.374 188 H ASP 24 H ASP 24 14.036 -15.826 22.606 189 HA ASP 24 HA ASP 24 13.267 -14.585 20.164 190 HB2 ASP 24 1HB ASP 24 14.347 -17.314 20.846 191 HB3 ASP 24 2HB ASP 24 13.920 -16.868 19.196 192 H GLU 25 H GLU 25 11.870 -17.081 22.197 193 HA GLU 25 HA GLU 25 10.027 -18.223 20.496 194 HB2 GLU 25 1HB GLU 25 8.846 -18.937 22.404 195 HB3 GLU 25 2HB GLU 25 10.516 -18.793 22.935 196 HG2 GLU 25 1HG GLU 25 9.919 -16.503 23.799 197 HG3 GLU 25 2HG GLU 25 8.235 -16.922 23.491 198 H GLU 26 H GLU 26 9.977 -15.070 21.987 199 HA GLU 26 HA GLU 26 7.400 -14.530 20.661 200 HB2 GLU 26 1HB GLU 26 8.491 -13.548 23.285 201 HB3 GLU 26 2HB GLU 26 7.239 -12.658 22.430 202 HG2 GLU 26 1HG GLU 26 6.196 -15.158 22.419 203 HG3 GLU 26 2HG GLU 26 7.080 -15.161 23.944 204 H LEU 27 H LEU 27 7.103 -12.357 19.850 205 HA LEU 27 HA LEU 27 9.612 -11.257 18.822 206 HB2 LEU 27 1HB LEU 27 6.743 -10.874 17.993 207 HB3 LEU 27 2HB LEU 27 8.092 -9.989 17.283 208 HG LEU 27 HG LEU 27 8.984 -12.439 16.821 209 HD11 LEU 27 1HD1 LEU 27 7.463 -14.110 16.732 210 HD12 LEU 27 2HD1 LEU 27 6.126 -13.026 16.351 211 HD13 LEU 27 3HD1 LEU 27 6.704 -13.163 18.011 212 HD21 LEU 27 3HD2 LEU 27 8.134 -12.253 14.598 213 HD22 LEU 27 1HD2 LEU 27 8.455 -10.622 15.188 214 HD23 LEU 27 2HD2 LEU 27 6.800 -11.230 15.133 215 H SER 28 H SER 28 10.291 -9.207 19.213 216 HA SER 28 HA SER 28 8.962 -7.792 21.383 217 HB2 SER 28 1HB SER 28 11.004 -6.453 21.503 218 HB3 SER 28 2HB SER 28 11.405 -8.171 21.490 219 HG SER 28 HG SER 28 12.513 -7.823 19.752 220 H PHE 29 H PHE 29 7.134 -7.180 20.013 221 HA PHE 29 HA PHE 29 7.512 -4.544 18.934 222 HB2 PHE 29 1HB PHE 29 6.956 -4.909 16.696 223 HB3 PHE 29 2HB PHE 29 8.036 -6.253 17.053 224 HD1 PHE 29 HD1 PHE 29 6.633 -8.333 18.154 225 HD2 PHE 29 HD2 PHE 29 5.163 -5.448 15.392 226 HE1 PHE 29 HE1 PHE 29 4.900 -9.920 17.424 227 HE2 PHE 29 HE2 PHE 29 3.427 -7.029 14.658 228 HZ PHE 29 HZ PHE 29 3.294 -9.269 15.674 229 H ARG 30 H ARG 30 5.416 -3.570 18.250 230 HA ARG 30 HA ARG 30 3.297 -4.531 20.020 231 HB2 ARG 30 1HB ARG 30 2.394 -2.346 19.952 232 HB3 ARG 30 2HB ARG 30 4.136 -2.134 20.066 233 HG2 ARG 30 1HG ARG 30 4.095 -1.921 17.519 234 HG3 ARG 30 2HG ARG 30 2.351 -1.716 17.698 235 HD2 ARG 30 1HD ARG 30 3.473 0.443 17.618 236 HD3 ARG 30 2HD ARG 30 2.730 0.181 19.196 237 HE ARG 30 HE ARG 30 5.501 -0.585 19.059 238 HH11 ARG 30 1HH1 ARG 30 3.260 2.010 19.657 239 HH12 ARG 30 2HH1 ARG 30 4.372 2.923 20.623 240 HH21 ARG 30 1HH2 ARG 30 6.975 0.607 20.327 241 HH22 ARG 30 2HH2 ARG 30 6.486 2.124 21.002 242 H ALA 31 H ALA 31 1.051 -4.449 19.267 243 HA ALA 31 HA ALA 31 0.705 -5.898 16.867 244 HB1 ALA 31 1HB ALA 31 -0.774 -5.747 19.023 245 HB2 ALA 31 2HB ALA 31 -1.577 -4.454 18.130 246 HB3 ALA 31 3HB ALA 31 -1.508 -6.081 17.454 247 H GLY 32 H GLY 32 -0.316 -5.305 14.921 248 HA2 GLY 32 1HA GLY 32 -1.347 -3.679 13.484 249 HA3 GLY 32 2HA GLY 32 -0.583 -2.413 14.435 250 H ASP 33 H ASP 33 1.961 -4.063 14.407 251 HA ASP 33 HA ASP 33 3.108 -2.812 12.111 252 HB2 ASP 33 1HB ASP 33 4.127 -3.563 14.483 253 HB3 ASP 33 2HB ASP 33 4.616 -4.950 13.513 254 H VAL 34 H VAL 34 4.203 -3.868 10.367 255 HA VAL 34 HA VAL 34 2.827 -6.310 9.525 256 HB VAL 34 HB VAL 34 3.565 -5.808 7.283 257 HG11 VAL 34 1HG1 VAL 34 1.720 -4.389 8.640 258 HG12 VAL 34 2HG1 VAL 34 2.776 -3.086 8.091 259 HG13 VAL 34 3HG1 VAL 34 2.043 -4.183 6.919 260 HG21 VAL 34 3HG2 VAL 34 5.403 -3.977 8.694 261 HG22 VAL 34 1HG2 VAL 34 5.643 -4.917 7.222 262 HG23 VAL 34 2HG2 VAL 34 4.747 -3.399 7.162 263 H PHE 35 H PHE 35 3.881 -8.176 8.958 264 HA PHE 35 HA PHE 35 6.785 -8.277 9.031 265 HB2 PHE 35 1HB PHE 35 6.503 -10.361 10.606 266 HB3 PHE 35 2HB PHE 35 6.581 -8.740 11.287 267 HD1 PHE 35 HD1 PHE 35 4.572 -7.658 12.155 268 HD2 PHE 35 HD2 PHE 35 4.489 -11.651 10.684 269 HE1 PHE 35 HE1 PHE 35 2.404 -8.017 13.263 270 HE2 PHE 35 HE2 PHE 35 2.321 -12.016 11.788 271 HZ PHE 35 HZ PHE 35 1.276 -10.198 13.079 272 H HIS 36 H HIS 36 7.660 -10.183 8.104 273 HA HIS 36 HA HIS 36 5.710 -11.727 6.524 274 HB2 HIS 36 1HB HIS 36 7.313 -10.161 5.290 275 HB3 HIS 36 2HB HIS 36 8.590 -11.282 5.753 276 HD1 HIS 36 HD1 HIS 36 9.158 -12.450 3.637 277 HD2 HIS 36 HD2 HIS 36 5.054 -12.213 4.237 278 HE1 HIS 36 HE1 HIS 36 8.128 -13.796 1.779 279 H VAL 37 H VAL 37 6.282 -13.945 6.037 280 HA VAL 37 HA VAL 37 7.715 -15.184 8.275 281 HB VAL 37 HB VAL 37 6.581 -17.255 7.669 282 HG11 VAL 37 1HG1 VAL 37 4.640 -14.948 7.772 283 HG12 VAL 37 2HG1 VAL 37 4.318 -16.617 8.246 284 HG13 VAL 37 3HG1 VAL 37 5.465 -15.644 9.166 285 HG21 VAL 37 3HG2 VAL 37 6.411 -17.172 5.324 286 HG22 VAL 37 1HG2 VAL 37 4.749 -17.089 5.907 287 HG23 VAL 37 2HG2 VAL 37 5.564 -15.625 5.356 288 H ALA 38 H ALA 38 9.528 -16.357 8.009 289 HA ALA 38 HA ALA 38 10.804 -16.308 5.407 290 HB1 ALA 38 1HB ALA 38 12.738 -16.377 6.528 291 HB2 ALA 38 2HB ALA 38 11.757 -16.059 7.958 292 HB3 ALA 38 3HB ALA 38 12.207 -17.714 7.549 293 H ARG 39 H ARG 39 9.442 -18.660 7.637 294 HA ARG 39 HA ARG 39 9.366 -20.626 5.503 295 HB2 ARG 39 1HB ARG 39 10.839 -21.095 8.097 296 HB3 ARG 39 2HB ARG 39 10.326 -22.392 7.026 297 HG2 ARG 39 1HG ARG 39 12.172 -20.151 6.233 298 HG3 ARG 39 2HG ARG 39 12.694 -21.757 6.744 299 HD2 ARG 39 1HD ARG 39 11.475 -22.751 4.874 300 HD3 ARG 39 2HD ARG 39 10.933 -21.151 4.371 301 HE ARG 39 HE ARG 39 13.725 -21.132 4.490 302 HH11 ARG 39 1HH1 ARG 39 11.165 -22.607 2.649 303 HH12 ARG 39 2HH1 ARG 39 12.110 -22.749 1.203 304 HH21 ARG 39 1HH2 ARG 39 14.979 -21.314 2.593 305 HH22 ARG 39 2HH2 ARG 39 14.280 -22.014 1.173 306 H LYS 40 H LYS 40 7.578 -21.862 5.602 307 HA LYS 40 HA LYS 40 5.914 -21.624 8.020 308 HB2 LYS 40 1HB LYS 40 3.989 -22.079 6.519 309 HB3 LYS 40 2HB LYS 40 4.851 -20.602 6.108 310 HG2 LYS 40 1HG LYS 40 4.996 -21.337 4.027 311 HG3 LYS 40 2HG LYS 40 6.059 -22.625 4.599 312 HD2 LYS 40 1HD LYS 40 3.741 -23.746 5.233 313 HD3 LYS 40 2HD LYS 40 3.161 -22.697 3.937 314 HE2 LYS 40 1HE LYS 40 4.816 -23.659 2.417 315 HE3 LYS 40 2HE LYS 40 5.414 -24.693 3.714 316 HZ1 LYS 40 3HZ LYS 40 3.606 -26.043 3.598 317 HZ2 LYS 40 1HZ LYS 40 3.650 -25.541 1.983 318 HZ3 LYS 40 2HZ LYS 40 2.565 -24.822 3.063 319 H GLU 41 H GLU 41 5.856 -23.399 9.219 320 HA GLU 41 HA GLU 41 6.242 -26.005 7.912 321 HB2 GLU 41 1HB GLU 41 7.141 -24.858 10.448 322 HB3 GLU 41 2HB GLU 41 6.427 -26.455 10.628 323 HG2 GLU 41 1HG GLU 41 8.793 -26.676 10.332 324 HG3 GLU 41 2HG GLU 41 7.972 -27.306 8.905 325 H GLU 42 H GLU 42 5.098 -27.848 9.082 326 HA GLU 42 HA GLU 42 2.296 -27.328 9.021 327 HB2 GLU 42 1HB GLU 42 2.003 -29.662 9.323 328 HB3 GLU 42 2HB GLU 42 3.432 -29.475 8.317 329 HG2 GLU 42 1HG GLU 42 4.860 -29.839 10.253 330 HG3 GLU 42 2HG GLU 42 3.437 -29.994 11.282 331 H GLN 43 H GLN 43 4.689 -27.475 11.515 332 HA GLN 43 HA GLN 43 2.708 -27.688 13.635 333 HB2 GLN 43 1HB GLN 43 5.719 -27.455 13.689 334 HB3 GLN 43 2HB GLN 43 4.719 -27.542 15.133 335 HG2 GLN 43 1HG GLN 43 3.818 -29.715 13.892 336 HG3 GLN 43 2HG GLN 43 5.431 -29.648 13.184 337 HE21 GLN 43 2HE2 GLN 43 7.055 -30.484 14.301 338 HE22 GLN 43 1HE2 GLN 43 7.005 -30.933 15.968 339 H TRP 44 H TRP 44 5.487 -25.494 13.274 340 HA TRP 44 HA TRP 44 3.703 -23.268 14.015 341 HB2 TRP 44 1HB TRP 44 5.790 -22.257 15.080 342 HB3 TRP 44 2HB TRP 44 5.063 -23.625 15.918 343 HD1 TRP 44 HD1 TRP 44 7.784 -23.317 13.147 344 HE1 TRP 44 HE1 TRP 44 9.741 -24.856 13.799 345 HE3 TRP 44 HE3 TRP 44 5.930 -25.169 17.536 346 HZ2 TRP 44 HZ2 TRP 44 10.410 -26.622 15.897 347 HZ3 TRP 44 HZ3 TRP 44 7.291 -26.779 18.805 348 HH2 TRP 44 HH2 TRP 44 9.484 -27.490 18.000 349 H TRP 45 H TRP 45 4.333 -21.162 13.222 350 HA TRP 45 HA TRP 45 5.707 -21.357 10.632 351 HB2 TRP 45 1HB TRP 45 3.689 -19.364 11.676 352 HB3 TRP 45 2HB TRP 45 4.530 -19.187 10.138 353 HD1 TRP 45 HD1 TRP 45 3.487 -20.375 8.095 354 HE1 TRP 45 HE1 TRP 45 1.513 -21.989 7.745 355 HE3 TRP 45 HE3 TRP 45 2.400 -21.402 12.984 356 HZ2 TRP 45 HZ2 TRP 45 -0.269 -23.497 9.331 357 HZ3 TRP 45 HZ3 TRP 45 0.546 -22.940 13.482 358 HH2 TRP 45 HH2 TRP 45 -0.761 -23.965 11.692 359 H TRP 46 H TRP 46 7.359 -19.974 10.079 360 HA TRP 46 HA TRP 46 8.659 -18.636 12.329 361 HB2 TRP 46 1HB TRP 46 9.622 -19.499 9.605 362 HB3 TRP 46 2HB TRP 46 10.582 -18.454 10.649 363 HD1 TRP 46 HD1 TRP 46 8.579 -21.271 12.244 364 HE1 TRP 46 HE1 TRP 46 10.209 -23.051 13.138 365 HE3 TRP 46 HE3 TRP 46 12.922 -19.482 10.225 366 HZ2 TRP 46 HZ2 TRP 46 12.971 -23.621 13.005 367 HZ3 TRP 46 HZ3 TRP 46 15.014 -20.703 10.657 368 HH2 TRP 46 HH2 TRP 46 15.036 -22.729 12.019 369 H ALA 47 H ALA 47 7.984 -16.603 12.614 370 HA ALA 47 HA ALA 47 7.575 -14.905 10.248 371 HB1 ALA 47 1HB ALA 47 6.676 -14.331 13.064 372 HB2 ALA 47 2HB ALA 47 6.177 -13.515 11.582 373 HB3 ALA 47 3HB ALA 47 5.690 -15.184 11.876 374 H THR 48 H THR 48 8.476 -12.816 10.168 375 HA THR 48 HA THR 48 10.630 -12.280 12.100 376 HB THR 48 HB THR 48 10.884 -11.868 9.115 377 HG1 THR 48 HG1 THR 48 10.925 -14.118 9.877 378 HG21 THR 48 3HG2 THR 48 12.819 -10.801 9.511 379 HG22 THR 48 1HG2 THR 48 13.292 -11.939 10.772 380 HG23 THR 48 2HG2 THR 48 12.213 -10.597 11.155 381 H LEU 49 H LEU 49 10.432 -10.341 12.994 382 HA LEU 49 HA LEU 49 8.543 -8.430 11.960 383 HB2 LEU 49 1HB LEU 49 9.756 -8.999 14.457 384 HB3 LEU 49 2HB LEU 49 10.140 -7.329 14.045 385 HG LEU 49 HG LEU 49 8.095 -7.659 15.467 386 HD11 LEU 49 1HD1 LEU 49 7.310 -5.725 14.669 387 HD12 LEU 49 2HD1 LEU 49 7.017 -6.395 13.065 388 HD13 LEU 49 3HD1 LEU 49 8.630 -5.835 13.504 389 HD21 LEU 49 3HD2 LEU 49 7.479 -9.591 13.579 390 HD22 LEU 49 1HD2 LEU 49 6.374 -8.265 13.218 391 HD23 LEU 49 2HD2 LEU 49 6.408 -8.967 14.835 392 H LEU 50 H LEU 50 9.042 -7.072 10.380 393 HA LEU 50 HA LEU 50 11.804 -6.065 10.204 394 HB2 LEU 50 1HB LEU 50 10.059 -5.720 7.870 395 HB3 LEU 50 2HB LEU 50 11.743 -6.233 7.964 396 HG LEU 50 HG LEU 50 9.359 -8.006 8.494 397 HD11 LEU 50 1HD1 LEU 50 9.682 -7.196 6.115 398 HD12 LEU 50 2HD1 LEU 50 9.675 -8.943 6.357 399 HD13 LEU 50 3HD1 LEU 50 11.201 -8.092 6.121 400 HD21 LEU 50 3HD2 LEU 50 11.623 -8.462 9.633 401 HD22 LEU 50 1HD2 LEU 50 12.183 -8.887 8.016 402 HD23 LEU 50 2HD2 LEU 50 10.848 -9.776 8.748 403 H ASP 51 H ASP 51 12.140 -3.864 9.713 404 HA ASP 51 HA ASP 51 10.280 -2.094 10.946 405 HB2 ASP 51 1HB ASP 51 12.928 -1.973 10.601 406 HB3 ASP 51 2HB ASP 51 12.439 -1.011 9.209 407 H GLU 52 H GLU 52 9.878 0.099 9.678 408 HA GLU 52 HA GLU 52 7.920 -0.419 7.765 409 HB2 GLU 52 1HB GLU 52 7.933 2.000 7.334 410 HB3 GLU 52 2HB GLU 52 7.967 1.646 9.056 411 HG2 GLU 52 1HG GLU 52 10.544 1.884 8.771 412 HG3 GLU 52 2HG GLU 52 10.105 2.770 7.311 413 H ALA 53 H ALA 53 11.346 0.081 7.423 414 HA ALA 53 HA ALA 53 11.278 0.555 4.592 415 HB1 ALA 53 1HB ALA 53 13.137 0.981 6.548 416 HB2 ALA 53 2HB ALA 53 13.803 -0.414 5.699 417 HB3 ALA 53 3HB ALA 53 13.445 1.068 4.814 418 H GLY 54 H GLY 54 11.148 -2.209 6.601 419 HA2 GLY 54 1HA GLY 54 10.492 -4.314 5.621 420 HA3 GLY 54 2HA GLY 54 11.480 -3.918 4.223 421 H GLY 55 H GLY 55 13.467 -2.919 6.456 422 HA2 GLY 55 1HA GLY 55 15.157 -5.184 6.331 423 HA3 GLY 55 2HA GLY 55 15.408 -3.769 7.341 424 H ALA 56 H ALA 56 15.333 -6.927 7.577 425 HA ALA 56 HA ALA 56 13.452 -7.643 9.489 426 HB1 ALA 56 1HB ALA 56 16.225 -8.655 8.937 427 HB2 ALA 56 2HB ALA 56 15.197 -9.366 10.182 428 HB3 ALA 56 3HB ALA 56 14.678 -9.380 8.497 429 H VAL 57 H VAL 57 13.645 -7.949 11.782 430 HA VAL 57 HA VAL 57 15.700 -6.400 13.157 431 HB VAL 57 HB VAL 57 12.771 -5.905 13.696 432 HG11 VAL 57 1HG1 VAL 57 15.006 -5.527 15.302 433 HG12 VAL 57 2HG1 VAL 57 14.653 -3.927 14.647 434 HG13 VAL 57 3HG1 VAL 57 13.409 -4.815 15.528 435 HG21 VAL 57 3HG2 VAL 57 13.112 -3.701 12.690 436 HG22 VAL 57 1HG2 VAL 57 14.762 -4.151 12.260 437 HG23 VAL 57 2HG2 VAL 57 13.398 -4.989 11.520 438 H ALA 58 H ALA 58 12.547 -7.805 14.046 439 HA ALA 58 HA ALA 58 13.928 -9.380 16.110 440 HB1 ALA 58 1HB ALA 58 12.015 -7.708 16.635 441 HB2 ALA 58 2HB ALA 58 10.964 -8.993 16.039 442 HB3 ALA 58 3HB ALA 58 12.023 -9.289 17.418 443 H GLN 59 H GLN 59 13.279 -11.571 16.476 444 HA GLN 59 HA GLN 59 11.913 -12.857 14.216 445 HB2 GLN 59 1HB GLN 59 14.396 -13.988 15.505 446 HB3 GLN 59 2HB GLN 59 13.561 -14.589 14.078 447 HG2 GLN 59 1HG GLN 59 14.122 -12.182 13.162 448 HG3 GLN 59 2HG GLN 59 15.399 -12.278 14.373 449 HE21 GLN 59 2HE2 GLN 59 16.687 -12.103 12.344 450 HE22 GLN 59 1HE2 GLN 59 17.114 -13.572 11.542 451 H GLY 60 H GLY 60 10.774 -14.743 14.700 452 HA2 GLY 60 1HA GLY 60 10.873 -16.085 17.181 453 HA3 GLY 60 2HA GLY 60 9.590 -14.885 17.229 454 H TYR 61 H TYR 61 8.669 -17.274 17.595 455 HA TYR 61 HA TYR 61 7.600 -18.117 14.981 456 HB2 TYR 61 1HB TYR 61 7.935 -19.970 17.335 457 HB3 TYR 61 2HB TYR 61 7.614 -20.390 15.656 458 HD1 TYR 61 HD2 TYR 61 9.535 -19.298 14.017 459 HD2 TYR 61 HD1 TYR 61 10.047 -20.502 18.066 460 HE1 TYR 61 HE2 TYR 61 11.946 -19.580 13.622 461 HE2 TYR 61 HE1 TYR 61 12.460 -20.787 17.682 462 HH TYR 61 HH TYR 61 13.923 -21.291 15.461 463 H VAL 62 H VAL 62 5.452 -18.102 14.783 464 HA VAL 62 HA VAL 62 3.757 -18.296 17.150 465 HB VAL 62 HB VAL 62 2.481 -16.322 16.667 466 HG11 VAL 62 1HG1 VAL 62 4.370 -15.937 18.091 467 HG12 VAL 62 2HG1 VAL 62 5.444 -15.771 16.700 468 HG13 VAL 62 3HG1 VAL 62 4.203 -14.555 17.009 469 HG21 VAL 62 3HG2 VAL 62 3.874 -14.858 14.782 470 HG22 VAL 62 1HG2 VAL 62 3.849 -16.489 14.111 471 HG23 VAL 62 2HG2 VAL 62 2.337 -15.685 14.532 472 HA PRO 63 HA PRO 63 1.160 -20.621 14.477 473 HB2 PRO 63 1HB PRO 63 -1.261 -20.193 15.630 474 HB3 PRO 63 2HB PRO 63 -0.019 -21.220 16.356 475 HG2 PRO 63 1HG PRO 63 -0.728 -18.379 16.978 476 HG3 PRO 63 2HG PRO 63 -0.361 -19.710 18.091 477 HD2 PRO 63 1HD PRO 63 1.456 -17.809 17.444 478 HD3 PRO 63 2HD PRO 63 1.916 -19.484 17.810 479 H HIS 64 H HIS 64 -0.308 -20.442 12.772 480 HA HIS 64 HA HIS 64 -0.640 -17.757 11.738 481 HB2 HIS 64 1HB HIS 64 0.115 -19.541 10.237 482 HB3 HIS 64 2HB HIS 64 -1.369 -20.438 10.540 483 HD1 HIS 64 HD1 HIS 64 -3.578 -19.429 9.519 484 HD2 HIS 64 HD2 HIS 64 -0.066 -17.556 8.328 485 HE1 HIS 64 HE1 HIS 64 -4.202 -18.043 7.516 486 H ASN 65 H ASN 65 -2.522 -20.124 13.373 487 HA ASN 65 HA ASN 65 -5.095 -19.356 12.481 488 HB2 ASN 65 1HB ASN 65 -4.559 -21.494 13.670 489 HB3 ASN 65 2HB ASN 65 -4.366 -20.567 15.155 490 HD21 ASN 65 2HD2 ASN 65 -6.644 -21.499 12.654 491 HD22 ASN 65 1HD2 ASN 65 -8.067 -21.292 13.612 492 H TYR 66 H TYR 66 -2.851 -17.901 14.618 493 HA TYR 66 HA TYR 66 -4.923 -16.206 15.818 494 HB2 TYR 66 1HB TYR 66 -3.024 -17.415 17.149 495 HB3 TYR 66 2HB TYR 66 -2.025 -16.083 16.578 496 HD1 TYR 66 HD2 TYR 66 -5.089 -16.881 18.511 497 HD2 TYR 66 HD1 TYR 66 -2.107 -13.977 17.627 498 HE1 TYR 66 HE2 TYR 66 -5.916 -15.478 20.354 499 HE2 TYR 66 HE1 TYR 66 -2.926 -12.567 19.469 500 HH TYR 66 HH TYR 66 -5.805 -12.819 20.837 501 H LEU 67 H LEU 67 -2.392 -16.203 13.494 502 HA LEU 67 HA LEU 67 -2.221 -13.293 13.426 503 HB2 LEU 67 1HB LEU 67 -0.372 -15.237 12.981 504 HB3 LEU 67 2HB LEU 67 -0.864 -14.846 11.335 505 HG LEU 67 HG LEU 67 1.058 -13.546 11.815 506 HD11 LEU 67 1HD1 LEU 67 -0.993 -12.436 10.753 507 HD12 LEU 67 2HD1 LEU 67 0.296 -11.392 11.351 508 HD13 LEU 67 3HD1 LEU 67 -1.176 -11.606 12.299 509 HD21 LEU 67 3HD2 LEU 67 0.322 -13.730 14.432 510 HD22 LEU 67 1HD2 LEU 67 -0.021 -12.036 14.080 511 HD23 LEU 67 2HD2 LEU 67 1.598 -12.682 13.811 512 H ALA 68 H ALA 68 -2.991 -12.023 11.794 513 HA ALA 68 HA ALA 68 -4.755 -13.354 9.847 514 HB1 ALA 68 1HB ALA 68 -6.331 -11.907 10.428 515 HB2 ALA 68 2HB ALA 68 -5.244 -11.236 11.645 516 HB3 ALA 68 3HB ALA 68 -5.276 -10.554 10.019 517 H GLU 69 H GLU 69 -4.731 -12.714 7.687 518 HA GLU 69 HA GLU 69 -2.208 -11.557 6.813 519 HB2 GLU 69 1HB GLU 69 -2.846 -12.330 4.588 520 HB3 GLU 69 2HB GLU 69 -2.992 -13.631 5.762 521 HG2 GLU 69 1HG GLU 69 -5.484 -12.802 5.874 522 HG3 GLU 69 2HG GLU 69 -5.106 -12.169 4.274 523 H ARG 70 H ARG 70 -1.987 -9.518 6.182 524 HA ARG 70 HA ARG 70 -4.410 -7.918 5.748 525 HB2 ARG 70 1HB ARG 70 -1.683 -7.331 6.779 526 HB3 ARG 70 2HB ARG 70 -2.496 -6.055 5.883 527 HG2 ARG 70 1HG ARG 70 -3.808 -7.470 8.180 528 HG3 ARG 70 2HG ARG 70 -2.766 -6.064 8.408 529 HD2 ARG 70 1HD ARG 70 -4.780 -5.010 8.236 530 HD3 ARG 70 2HD ARG 70 -4.332 -5.054 6.532 531 HE ARG 70 HE ARG 70 -5.853 -7.338 7.386 532 HH11 ARG 70 1HH1 ARG 70 -6.018 -4.065 6.210 533 HH12 ARG 70 2HH1 ARG 70 -7.610 -4.244 5.549 534 HH21 ARG 70 1HH2 ARG 70 -7.949 -7.586 6.520 535 HH22 ARG 70 2HH2 ARG 70 -8.707 -6.247 5.727 536 H GLU 71 H GLU 71 -4.465 -9.022 3.578 537 HA GLU 71 HA GLU 71 -2.559 -8.616 1.590 538 HB2 GLU 71 1HB GLU 71 -5.550 -8.707 1.174 539 HB3 GLU 71 2HB GLU 71 -4.307 -9.109 -0.002 540 HG2 GLU 71 1HG GLU 71 -3.599 -10.897 1.736 541 HG3 GLU 71 2HG GLU 71 -5.220 -10.651 2.383 542 H THR 72 H THR 72 -2.193 -7.034 0.083 543 HA THR 72 HA THR 72 -3.006 -4.373 0.807 544 HB THR 72 HB THR 72 -1.526 -3.597 -0.921 545 HG1 THR 72 HG1 THR 72 -1.714 -6.269 -1.831 546 HG21 THR 72 3HG2 THR 72 -0.487 -4.460 1.150 547 HG22 THR 72 1HG2 THR 72 0.567 -4.629 -0.253 548 HG23 THR 72 2HG2 THR 72 -0.296 -6.032 0.376 Start of MODEL 17 1 H1 MET 1 H MET 1 16.820 4.696 -2.198 2 HA MET 1 HA MET 1 16.551 1.995 -1.599 3 HB2 MET 1 1HB MET 1 14.499 2.678 -0.350 4 HB3 MET 1 2HB MET 1 15.914 3.659 0.012 5 HG2 MET 1 1HG MET 1 15.064 5.518 -1.012 6 HG3 MET 1 2HG MET 1 14.045 4.584 -2.105 7 HE1 MET 1 3HE MET 1 10.958 4.992 -1.222 8 HE2 MET 1 1HE MET 1 11.492 6.607 -0.756 9 HE3 MET 1 2HE MET 1 12.275 5.773 -2.099 10 H VAL 2 H VAL 2 16.362 1.856 -4.256 11 HA VAL 2 HA VAL 2 13.583 0.999 -4.676 12 HB VAL 2 HB VAL 2 15.246 2.476 -6.721 13 HG11 VAL 2 1HG1 VAL 2 13.981 1.404 -8.210 14 HG12 VAL 2 2HG1 VAL 2 12.941 0.733 -6.952 15 HG13 VAL 2 3HG1 VAL 2 12.621 2.344 -7.596 16 HG21 VAL 2 3HG2 VAL 2 12.955 3.295 -4.974 17 HG22 VAL 2 1HG2 VAL 2 14.478 4.130 -5.279 18 HG23 VAL 2 2HG2 VAL 2 13.233 4.081 -6.527 19 H SER 3 H SER 3 13.605 -1.117 -5.005 20 HA SER 3 HA SER 3 15.990 -2.402 -6.082 21 HB2 SER 3 1HB SER 3 13.468 -3.757 -5.119 22 HB3 SER 3 2HB SER 3 15.076 -4.461 -5.290 23 HG SER 3 HG SER 3 14.008 -3.080 -3.213 24 H ARG 4 H ARG 4 16.163 -3.126 -8.102 25 HA ARG 4 HA ARG 4 14.129 -2.581 -10.018 26 HB2 ARG 4 1HB ARG 4 15.661 -3.637 -11.628 27 HB3 ARG 4 2HB ARG 4 16.486 -2.457 -10.618 28 HG2 ARG 4 1HG ARG 4 17.337 -4.299 -9.216 29 HG3 ARG 4 2HG ARG 4 16.574 -5.450 -10.314 30 HD2 ARG 4 1HD ARG 4 18.488 -3.386 -11.339 31 HD3 ARG 4 2HD ARG 4 19.078 -4.887 -10.626 32 HE ARG 4 HE ARG 4 17.219 -5.659 -12.486 33 HH11 ARG 4 1HH1 ARG 4 20.161 -3.798 -12.518 34 HH12 ARG 4 2HH1 ARG 4 20.574 -4.236 -14.143 35 HH21 ARG 4 1HH2 ARG 4 17.752 -6.243 -14.626 36 HH22 ARG 4 2HH2 ARG 4 19.203 -5.626 -15.341 37 H ASP 5 H ASP 5 15.295 -5.507 -8.429 38 HA ASP 5 HA ASP 5 13.785 -7.341 -9.965 39 HB2 ASP 5 1HB ASP 5 14.845 -7.611 -7.143 40 HB3 ASP 5 2HB ASP 5 14.257 -8.936 -8.144 41 H GLN 6 H GLN 6 12.013 -8.701 -9.078 42 HA GLN 6 HA GLN 6 9.749 -7.229 -8.516 43 HB2 GLN 6 1HB GLN 6 8.746 -9.409 -7.773 44 HB3 GLN 6 2HB GLN 6 9.523 -9.455 -9.350 45 HG2 GLN 6 1HG GLN 6 11.571 -10.347 -8.133 46 HG3 GLN 6 2HG GLN 6 10.499 -10.595 -6.756 47 HE21 GLN 6 2HE2 GLN 6 8.231 -11.501 -7.831 48 HE22 GLN 6 1HE2 GLN 6 8.489 -12.989 -8.669 49 H ALA 7 H ALA 7 9.636 -5.855 -6.842 50 HA ALA 7 HA ALA 7 10.701 -6.541 -4.245 51 HB1 ALA 7 1HB ALA 7 9.109 -4.198 -4.108 52 HB2 ALA 7 2HB ALA 7 10.868 -4.337 -4.073 53 HB3 ALA 7 3HB ALA 7 10.029 -4.146 -5.613 54 H HIS 8 H HIS 8 7.612 -6.526 -5.844 55 HA HIS 8 HA HIS 8 6.230 -7.056 -3.312 56 HB2 HIS 8 1HB HIS 8 5.083 -6.519 -6.059 57 HB3 HIS 8 2HB HIS 8 4.157 -6.698 -4.572 58 HD1 HIS 8 HD1 HIS 8 3.855 -4.648 -3.152 59 HD2 HIS 8 HD2 HIS 8 6.683 -4.118 -6.149 60 HE1 HIS 8 HE1 HIS 8 4.416 -2.197 -3.120 61 H LEU 9 H LEU 9 6.449 -9.157 -2.799 62 HA LEU 9 HA LEU 9 6.037 -11.168 -4.898 63 HB2 LEU 9 1HB LEU 9 7.491 -11.133 -2.305 64 HB3 LEU 9 2HB LEU 9 6.822 -12.666 -2.861 65 HG LEU 9 HG LEU 9 9.221 -12.329 -3.423 66 HD11 LEU 9 1HD1 LEU 9 8.992 -13.007 -5.794 67 HD12 LEU 9 2HD1 LEU 9 7.280 -12.593 -5.713 68 HD13 LEU 9 3HD1 LEU 9 7.922 -13.891 -4.707 69 HD21 LEU 9 3HD2 LEU 9 8.397 -10.412 -5.552 70 HD22 LEU 9 1HD2 LEU 9 9.979 -10.669 -4.815 71 HD23 LEU 9 2HD2 LEU 9 8.721 -9.807 -3.927 72 H GLY 10 H GLY 10 4.761 -9.948 -1.888 73 HA2 GLY 10 1HA GLY 10 2.221 -11.132 -2.337 74 HA3 GLY 10 2HA GLY 10 3.098 -12.032 -1.108 75 HA PRO 11 HA PRO 11 0.845 -8.265 0.676 76 HB2 PRO 11 1HB PRO 11 -1.044 -9.619 2.081 77 HB3 PRO 11 2HB PRO 11 -1.285 -9.084 0.413 78 HG2 PRO 11 1HG PRO 11 -0.514 -11.787 1.443 79 HG3 PRO 11 2HG PRO 11 -1.672 -11.364 0.169 80 HD2 PRO 11 1HD PRO 11 0.837 -12.228 -0.370 81 HD3 PRO 11 2HD PRO 11 -0.019 -11.071 -1.410 82 H LYS 12 H LYS 12 0.894 -7.632 2.885 83 HA LYS 12 HA LYS 12 2.927 -8.977 4.416 84 HB2 LYS 12 1HB LYS 12 1.562 -6.378 4.469 85 HB3 LYS 12 2HB LYS 12 1.931 -7.020 6.064 86 HG2 LYS 12 1HG LYS 12 3.700 -5.555 5.221 87 HG3 LYS 12 2HG LYS 12 4.273 -7.204 5.487 88 HD2 LYS 12 1HD LYS 12 4.198 -7.679 3.143 89 HD3 LYS 12 2HD LYS 12 3.381 -6.151 2.806 90 HE2 LYS 12 1HE LYS 12 5.464 -5.052 3.836 91 HE3 LYS 12 2HE LYS 12 6.229 -6.626 3.625 92 HZ1 LYS 12 3HZ LYS 12 4.919 -5.141 1.417 93 HZ2 LYS 12 1HZ LYS 12 5.903 -6.511 1.295 94 HZ3 LYS 12 2HZ LYS 12 6.572 -5.030 1.761 95 H TYR 13 H TYR 13 2.590 -9.349 6.795 96 HA TYR 13 HA TYR 13 -0.105 -10.413 7.323 97 HB2 TYR 13 1HB TYR 13 2.574 -11.697 7.807 98 HB3 TYR 13 2HB TYR 13 1.144 -12.187 8.708 99 HD1 TYR 13 HD1 TYR 13 2.304 -11.691 5.192 100 HD2 TYR 13 HD2 TYR 13 -0.181 -13.885 7.859 101 HE1 TYR 13 HE1 TYR 13 1.672 -13.197 3.354 102 HE2 TYR 13 HE2 TYR 13 -0.819 -15.398 6.028 103 HH TYR 13 HH TYR 13 -0.830 -15.614 3.737 104 H VAL 14 H VAL 14 -0.978 -9.947 9.265 105 HA VAL 14 HA VAL 14 0.731 -8.870 11.384 106 HB VAL 14 HB VAL 14 -0.314 -7.013 9.922 107 HG11 VAL 14 1HG1 VAL 14 -2.613 -8.356 10.288 108 HG12 VAL 14 2HG1 VAL 14 -2.722 -7.199 11.616 109 HG13 VAL 14 3HG1 VAL 14 -2.539 -6.626 9.958 110 HG21 VAL 14 3HG2 VAL 14 -1.180 -6.275 12.556 111 HG22 VAL 14 1HG2 VAL 14 0.315 -7.207 12.649 112 HG23 VAL 14 2HG2 VAL 14 0.245 -5.748 11.662 113 H GLY 15 H GLY 15 -0.276 -8.860 13.488 114 HA2 GLY 15 1HA GLY 15 -2.746 -9.575 14.288 115 HA3 GLY 15 2HA GLY 15 -2.058 -11.121 13.814 116 H LEU 16 H LEU 16 -0.465 -8.372 15.383 117 HA LEU 16 HA LEU 16 0.100 -10.136 17.675 118 HB2 LEU 16 1HB LEU 16 1.782 -8.176 16.196 119 HB3 LEU 16 2HB LEU 16 2.062 -8.388 17.923 120 HG LEU 16 HG LEU 16 3.608 -9.739 16.634 121 HD11 LEU 16 1HD1 LEU 16 1.770 -10.758 18.584 122 HD12 LEU 16 2HD1 LEU 16 3.481 -11.123 18.361 123 HD13 LEU 16 3HD1 LEU 16 2.261 -12.046 17.483 124 HD21 LEU 16 3HD2 LEU 16 1.658 -11.651 15.625 125 HD22 LEU 16 1HD2 LEU 16 3.057 -10.930 14.830 126 HD23 LEU 16 2HD2 LEU 16 1.522 -10.061 14.872 127 H TRP 17 H TRP 17 -2.129 -9.135 18.211 128 HA TRP 17 HA TRP 17 -2.405 -6.461 18.958 129 HB2 TRP 17 1HB TRP 17 -4.162 -8.392 18.803 130 HB3 TRP 17 2HB TRP 17 -3.765 -8.645 20.500 131 HD1 TRP 17 HD1 TRP 17 -5.011 -7.169 22.203 132 HE1 TRP 17 HE1 TRP 17 -6.565 -5.122 22.052 133 HE3 TRP 17 HE3 TRP 17 -4.526 -6.148 17.217 134 HZ2 TRP 17 HZ2 TRP 17 -7.465 -3.314 20.080 135 HZ3 TRP 17 HZ3 TRP 17 -5.768 -4.243 16.277 136 HH2 TRP 17 HH2 TRP 17 -7.207 -2.857 17.680 137 H ASP 18 H ASP 18 -0.658 -5.662 20.079 138 HA ASP 18 HA ASP 18 0.777 -5.290 21.817 139 HB2 ASP 18 1HB ASP 18 -1.412 -4.576 22.766 140 HB3 ASP 18 2HB ASP 18 -1.604 -6.187 23.453 141 H PHE 19 H PHE 19 2.247 -6.969 21.350 142 HA PHE 19 HA PHE 19 2.184 -9.142 23.320 143 HB2 PHE 19 1HB PHE 19 1.493 -9.773 20.866 144 HB3 PHE 19 2HB PHE 19 3.226 -9.693 20.567 145 HD1 PHE 19 HD1 PHE 19 1.150 -11.013 23.374 146 HD2 PHE 19 HD2 PHE 19 4.131 -11.792 20.438 147 HE1 PHE 19 HE1 PHE 19 1.401 -13.302 24.240 148 HE2 PHE 19 HE2 PHE 19 4.386 -14.082 21.299 149 HZ PHE 19 HZ PHE 19 3.019 -14.841 23.202 150 H LYS 20 H LYS 20 3.943 -9.035 24.532 151 HA LYS 20 HA LYS 20 6.493 -8.286 23.280 152 HB2 LYS 20 1HB LYS 20 5.712 -7.330 26.029 153 HB3 LYS 20 2HB LYS 20 7.074 -6.809 25.045 154 HG2 LYS 20 1HG LYS 20 4.182 -6.309 24.375 155 HG3 LYS 20 2HG LYS 20 5.258 -5.148 25.156 156 HD2 LYS 20 1HD LYS 20 6.196 -6.363 22.621 157 HD3 LYS 20 2HD LYS 20 4.864 -5.209 22.513 158 HE2 LYS 20 1HE LYS 20 7.509 -4.690 23.867 159 HE3 LYS 20 2HE LYS 20 7.078 -4.149 22.246 160 HZ1 LYS 20 3HZ LYS 20 5.045 -3.326 23.953 161 HZ2 LYS 20 1HZ LYS 20 6.182 -2.359 23.156 162 HZ3 LYS 20 2HZ LYS 20 6.502 -2.929 24.716 163 H SER 21 H SER 21 7.453 -10.248 23.334 164 HA SER 21 HA SER 21 7.475 -11.709 25.886 165 HB2 SER 21 1HB SER 21 7.885 -12.585 23.032 166 HB3 SER 21 2HB SER 21 8.401 -13.592 24.386 167 HG SER 21 HG SER 21 6.376 -14.021 24.855 168 H ARG 22 H ARG 22 9.565 -12.967 26.259 169 HA ARG 22 HA ARG 22 11.874 -11.264 25.583 170 HB2 ARG 22 1HB ARG 22 12.788 -12.035 27.841 171 HB3 ARG 22 2HB ARG 22 11.488 -10.852 27.867 172 HG2 ARG 22 1HG ARG 22 10.947 -12.395 29.538 173 HG3 ARG 22 2HG ARG 22 9.910 -12.819 28.174 174 HD2 ARG 22 1HD ARG 22 11.154 -14.718 27.661 175 HD3 ARG 22 2HD ARG 22 12.570 -14.144 28.541 176 HE ARG 22 HE ARG 22 10.307 -14.594 30.238 177 HH11 ARG 22 1HH1 ARG 22 13.004 -16.111 28.643 178 HH12 ARG 22 2HH1 ARG 22 13.098 -17.425 29.768 179 HH21 ARG 22 1HH2 ARG 22 10.419 -16.320 31.725 180 HH22 ARG 22 2HH2 ARG 22 11.626 -17.544 31.520 181 H THR 23 H THR 23 10.926 -13.628 24.194 182 HA THR 23 HA THR 23 13.345 -15.266 24.472 183 HB THR 23 HB THR 23 11.866 -17.288 23.910 184 HG1 THR 23 HG1 THR 23 9.838 -15.746 25.153 185 HG21 THR 23 3HG2 THR 23 12.118 -17.862 26.059 186 HG22 THR 23 1HG2 THR 23 11.053 -16.571 26.612 187 HG23 THR 23 2HG2 THR 23 12.758 -16.238 26.304 188 H ASP 24 H ASP 24 14.009 -16.334 22.562 189 HA ASP 24 HA ASP 24 13.535 -14.884 20.179 190 HB2 ASP 24 1HB ASP 24 14.771 -17.633 20.353 191 HB3 ASP 24 2HB ASP 24 15.057 -16.396 19.131 192 H GLU 25 H GLU 25 11.907 -17.507 21.645 193 HA GLU 25 HA GLU 25 10.786 -18.588 19.225 194 HB2 GLU 25 1HB GLU 25 9.328 -19.874 20.809 195 HB3 GLU 25 2HB GLU 25 11.053 -20.096 21.061 196 HG2 GLU 25 1HG GLU 25 11.042 -19.047 23.072 197 HG3 GLU 25 2HG GLU 25 9.711 -17.978 22.634 198 H GLU 26 H GLU 26 10.289 -15.758 20.793 199 HA GLU 26 HA GLU 26 7.601 -15.501 19.668 200 HB2 GLU 26 1HB GLU 26 8.364 -14.767 22.496 201 HB3 GLU 26 2HB GLU 26 6.892 -14.218 21.707 202 HG2 GLU 26 1HG GLU 26 7.396 -17.128 21.708 203 HG3 GLU 26 2HG GLU 26 6.997 -16.383 23.255 204 H LEU 27 H LEU 27 6.948 -13.277 19.317 205 HA LEU 27 HA LEU 27 9.245 -11.605 18.658 206 HB2 LEU 27 1HB LEU 27 6.362 -11.626 17.852 207 HB3 LEU 27 2HB LEU 27 7.360 -10.200 17.577 208 HG LEU 27 HG LEU 27 7.229 -11.514 15.558 209 HD11 LEU 27 1HD1 LEU 27 9.970 -12.071 16.619 210 HD12 LEU 27 2HD1 LEU 27 9.417 -10.413 16.386 211 HD13 LEU 27 3HD1 LEU 27 9.480 -11.522 15.016 212 HD21 LEU 27 3HD2 LEU 27 8.425 -13.781 17.149 213 HD22 LEU 27 1HD2 LEU 27 8.027 -13.792 15.430 214 HD23 LEU 27 2HD2 LEU 27 6.741 -13.681 16.632 215 H SER 28 H SER 28 9.257 -9.327 19.152 216 HA SER 28 HA SER 28 7.693 -8.633 21.550 217 HB2 SER 28 1HB SER 28 9.691 -7.380 22.366 218 HB3 SER 28 2HB SER 28 9.959 -9.120 22.264 219 HG SER 28 HG SER 28 11.378 -8.821 20.720 220 H PHE 29 H PHE 29 6.235 -7.576 20.078 221 HA PHE 29 HA PHE 29 6.935 -4.821 19.664 222 HB2 PHE 29 1HB PHE 29 7.419 -6.545 17.530 223 HB3 PHE 29 2HB PHE 29 5.868 -5.806 17.146 224 HD1 PHE 29 HD2 PHE 29 9.385 -5.049 18.016 225 HD2 PHE 29 HD1 PHE 29 5.744 -3.611 16.344 226 HE1 PHE 29 HE2 PHE 29 10.549 -3.032 17.224 227 HE2 PHE 29 HE1 PHE 29 6.903 -1.592 15.549 228 HZ PHE 29 HZ PHE 29 9.309 -1.299 15.990 229 H ARG 30 H ARG 30 5.060 -3.559 18.823 230 HA ARG 30 HA ARG 30 2.605 -4.632 19.975 231 HB2 ARG 30 1HB ARG 30 1.814 -2.395 20.063 232 HB3 ARG 30 2HB ARG 30 3.499 -2.341 20.562 233 HG2 ARG 30 1HG ARG 30 4.119 -1.616 18.289 234 HG3 ARG 30 2HG ARG 30 2.408 -1.594 17.858 235 HD2 ARG 30 1HD ARG 30 3.796 0.100 19.928 236 HD3 ARG 30 2HD ARG 30 3.088 0.640 18.406 237 HE ARG 30 HE ARG 30 1.076 -0.587 19.896 238 HH11 ARG 30 1HH1 ARG 30 3.126 2.222 20.060 239 HH12 ARG 30 2HH1 ARG 30 1.983 3.166 20.957 240 HH21 ARG 30 1HH2 ARG 30 -0.438 0.645 21.076 241 HH22 ARG 30 2HH2 ARG 30 -0.044 2.268 21.535 242 H ALA 31 H ALA 31 0.618 -4.654 18.873 243 HA ALA 31 HA ALA 31 0.614 -5.622 16.289 244 HB1 ALA 31 1HB ALA 31 -1.449 -6.069 16.977 245 HB2 ALA 31 2HB ALA 31 -1.364 -4.826 18.226 246 HB3 ALA 31 3HB ALA 31 -1.876 -4.402 16.593 247 H GLY 32 H GLY 32 -0.423 -4.654 14.345 248 HA2 GLY 32 1HA GLY 32 -0.955 -2.757 13.009 249 HA3 GLY 32 2HA GLY 32 -0.065 -1.748 14.141 250 H ASP 33 H ASP 33 2.170 -3.759 14.134 251 HA ASP 33 HA ASP 33 3.619 -2.591 11.939 252 HB2 ASP 33 1HB ASP 33 4.267 -4.211 14.324 253 HB3 ASP 33 2HB ASP 33 5.324 -4.450 12.936 254 H VAL 34 H VAL 34 4.676 -3.750 10.262 255 HA VAL 34 HA VAL 34 3.121 -6.028 9.324 256 HB VAL 34 HB VAL 34 4.409 -5.723 7.206 257 HG11 VAL 34 1HG1 VAL 34 3.041 -4.033 6.452 258 HG12 VAL 34 2HG1 VAL 34 2.212 -4.504 7.938 259 HG13 VAL 34 3HG1 VAL 34 3.241 -3.071 7.916 260 HG21 VAL 34 3HG2 VAL 34 5.472 -3.237 8.542 261 HG22 VAL 34 1HG2 VAL 34 6.409 -4.707 8.270 262 HG23 VAL 34 2HG2 VAL 34 5.799 -3.783 6.897 263 H PHE 35 H PHE 35 3.908 -8.056 9.003 264 HA PHE 35 HA PHE 35 6.736 -8.546 9.636 265 HB2 PHE 35 1HB PHE 35 4.549 -10.401 10.560 266 HB3 PHE 35 2HB PHE 35 6.232 -10.352 11.075 267 HD1 PHE 35 HD1 PHE 35 6.765 -7.680 11.831 268 HD2 PHE 35 HD2 PHE 35 3.157 -9.888 12.302 269 HE1 PHE 35 HE1 PHE 35 6.142 -6.249 13.733 270 HE2 PHE 35 HE2 PHE 35 2.528 -8.460 14.204 271 HZ PHE 35 HZ PHE 35 4.020 -6.638 14.922 272 H HIS 36 H HIS 36 7.682 -10.328 8.609 273 HA HIS 36 HA HIS 36 6.088 -11.472 6.409 274 HB2 HIS 36 1HB HIS 36 7.820 -9.885 5.625 275 HB3 HIS 36 2HB HIS 36 9.054 -10.868 6.407 276 HD1 HIS 36 HD1 HIS 36 6.470 -11.143 3.644 277 HD2 HIS 36 HD2 HIS 36 10.049 -12.871 4.854 278 HE1 HIS 36 HE1 HIS 36 7.124 -12.705 1.785 279 H VAL 37 H VAL 37 6.122 -13.640 6.125 280 HA VAL 37 HA VAL 37 7.366 -15.228 8.217 281 HB VAL 37 HB VAL 37 6.090 -17.105 7.300 282 HG11 VAL 37 1HG1 VAL 37 3.791 -15.545 7.315 283 HG12 VAL 37 2HG1 VAL 37 4.559 -16.310 8.708 284 HG13 VAL 37 3HG1 VAL 37 4.948 -14.640 8.291 285 HG21 VAL 37 3HG2 VAL 37 5.272 -15.119 5.185 286 HG22 VAL 37 1HG2 VAL 37 6.154 -16.630 4.955 287 HG23 VAL 37 2HG2 VAL 37 4.464 -16.663 5.458 288 H ALA 38 H ALA 38 9.117 -16.476 7.981 289 HA ALA 38 HA ALA 38 10.390 -16.555 5.339 290 HB1 ALA 38 1HB ALA 38 11.954 -17.568 7.583 291 HB2 ALA 38 2HB ALA 38 12.360 -16.350 6.372 292 HB3 ALA 38 3HB ALA 38 11.419 -15.900 7.794 293 H ARG 39 H ARG 39 9.149 -18.595 7.901 294 HA ARG 39 HA ARG 39 9.164 -20.866 6.096 295 HB2 ARG 39 1HB ARG 39 10.702 -20.824 8.688 296 HB3 ARG 39 2HB ARG 39 10.168 -22.322 7.936 297 HG2 ARG 39 1HG ARG 39 11.963 -20.279 6.642 298 HG3 ARG 39 2HG ARG 39 12.502 -21.773 7.411 299 HD2 ARG 39 1HD ARG 39 10.831 -22.906 5.776 300 HD3 ARG 39 2HD ARG 39 10.955 -21.393 4.879 301 HE ARG 39 HE ARG 39 13.035 -22.029 4.184 302 HH11 ARG 39 1HH1 ARG 39 12.141 -23.941 6.953 303 HH12 ARG 39 2HH1 ARG 39 13.522 -24.982 6.844 304 HH21 ARG 39 1HH2 ARG 39 14.857 -23.393 4.030 305 HH22 ARG 39 2HH2 ARG 39 15.067 -24.669 5.181 306 H LYS 40 H LYS 40 7.256 -21.828 6.246 307 HA LYS 40 HA LYS 40 5.688 -21.466 8.707 308 HB2 LYS 40 1HB LYS 40 3.748 -22.134 7.200 309 HB3 LYS 40 2HB LYS 40 4.489 -20.572 6.879 310 HG2 LYS 40 1HG LYS 40 5.756 -21.549 5.033 311 HG3 LYS 40 2HG LYS 40 5.011 -23.117 5.355 312 HD2 LYS 40 1HD LYS 40 3.724 -22.253 3.616 313 HD3 LYS 40 2HD LYS 40 2.774 -21.872 5.055 314 HE2 LYS 40 1HE LYS 40 2.776 -19.918 3.718 315 HE3 LYS 40 2HE LYS 40 3.893 -19.611 5.047 316 HZ1 LYS 40 3HZ LYS 40 5.232 -18.963 3.380 317 HZ2 LYS 40 1HZ LYS 40 4.422 -19.875 2.207 318 HZ3 LYS 40 2HZ LYS 40 5.550 -20.617 3.225 319 H GLU 41 H GLU 41 5.726 -23.151 10.033 320 HA GLU 41 HA GLU 41 6.252 -25.821 9.000 321 HB2 GLU 41 1HB GLU 41 7.044 -24.540 11.286 322 HB3 GLU 41 2HB GLU 41 5.712 -25.525 11.874 323 HG2 GLU 41 1HG GLU 41 7.887 -26.639 12.086 324 HG3 GLU 41 2HG GLU 41 6.766 -27.527 11.057 325 H GLU 42 H GLU 42 4.967 -27.621 10.210 326 HA GLU 42 HA GLU 42 2.237 -27.331 9.423 327 HB2 GLU 42 1HB GLU 42 1.978 -29.635 10.111 328 HB3 GLU 42 2HB GLU 42 3.485 -29.461 9.223 329 HG2 GLU 42 1HG GLU 42 4.766 -29.550 11.230 330 HG3 GLU 42 2HG GLU 42 3.312 -29.466 12.224 331 H GLN 43 H GLN 43 3.925 -26.583 12.246 332 HA GLN 43 HA GLN 43 1.422 -26.557 13.802 333 HB2 GLN 43 1HB GLN 43 3.333 -26.400 15.718 334 HB3 GLN 43 2HB GLN 43 2.589 -27.903 15.188 335 HG2 GLN 43 1HG GLN 43 4.429 -28.531 13.944 336 HG3 GLN 43 2HG GLN 43 5.031 -26.879 13.812 337 HE21 GLN 43 2HE2 GLN 43 7.066 -27.370 14.555 338 HE22 GLN 43 1HE2 GLN 43 7.388 -27.796 16.198 339 H TRP 44 H TRP 44 4.607 -25.028 14.215 340 HA TRP 44 HA TRP 44 3.232 -22.464 14.607 341 HB2 TRP 44 1HB TRP 44 5.804 -23.616 15.600 342 HB3 TRP 44 2HB TRP 44 5.675 -21.867 15.434 343 HD1 TRP 44 HD1 TRP 44 2.974 -24.319 16.749 344 HE1 TRP 44 HE1 TRP 44 2.308 -23.566 19.118 345 HE3 TRP 44 HE3 TRP 44 6.283 -20.466 17.336 346 HZ2 TRP 44 HZ2 TRP 44 3.083 -21.599 20.989 347 HZ3 TRP 44 HZ3 TRP 44 6.255 -19.199 19.445 348 HH2 TRP 44 HH2 TRP 44 4.687 -19.755 21.232 349 H TRP 45 H TRP 45 4.192 -20.524 13.710 350 HA TRP 45 HA TRP 45 5.548 -21.056 11.149 351 HB2 TRP 45 1HB TRP 45 3.435 -19.090 11.942 352 HB3 TRP 45 2HB TRP 45 4.544 -18.678 10.637 353 HD1 TRP 45 HD1 TRP 45 3.450 -22.302 10.975 354 HE1 TRP 45 HE1 TRP 45 1.908 -22.899 9.003 355 HE3 TRP 45 HE3 TRP 45 2.817 -17.630 8.998 356 HZ2 TRP 45 HZ2 TRP 45 0.597 -21.565 6.888 357 HZ3 TRP 45 HZ3 TRP 45 1.404 -17.377 6.999 358 HH2 TRP 45 HH2 TRP 45 0.318 -19.305 5.968 359 H TRP 46 H TRP 46 7.145 -19.568 10.432 360 HA TRP 46 HA TRP 46 8.571 -18.301 12.651 361 HB2 TRP 46 1HB TRP 46 9.411 -19.159 9.885 362 HB3 TRP 46 2HB TRP 46 10.431 -18.143 10.899 363 HD1 TRP 46 HD1 TRP 46 8.434 -20.936 12.542 364 HE1 TRP 46 HE1 TRP 46 10.061 -22.754 13.361 365 HE3 TRP 46 HE3 TRP 46 12.734 -19.208 10.385 366 HZ2 TRP 46 HZ2 TRP 46 12.805 -23.374 13.124 367 HZ3 TRP 46 HZ3 TRP 46 14.817 -20.471 10.730 368 HH2 TRP 46 HH2 TRP 46 14.850 -22.510 12.072 369 H ALA 47 H ALA 47 8.307 -16.201 12.967 370 HA ALA 47 HA ALA 47 7.584 -14.501 10.676 371 HB1 ALA 47 1HB ALA 47 7.043 -12.908 12.743 372 HB2 ALA 47 2HB ALA 47 5.886 -14.086 12.123 373 HB3 ALA 47 3HB ALA 47 6.856 -14.468 13.545 374 H THR 48 H THR 48 8.611 -12.496 10.381 375 HA THR 48 HA THR 48 11.133 -12.143 11.862 376 HB THR 48 HB THR 48 10.775 -11.639 8.903 377 HG1 THR 48 HG1 THR 48 11.907 -13.807 10.345 378 HG21 THR 48 3HG2 THR 48 13.463 -11.902 10.051 379 HG22 THR 48 1HG2 THR 48 12.570 -10.487 10.604 380 HG23 THR 48 2HG2 THR 48 12.840 -10.740 8.880 381 H LEU 49 H LEU 49 11.363 -10.199 12.752 382 HA LEU 49 HA LEU 49 9.396 -8.150 12.270 383 HB2 LEU 49 1HB LEU 49 11.301 -8.812 14.317 384 HB3 LEU 49 2HB LEU 49 11.457 -7.114 13.869 385 HG LEU 49 HG LEU 49 9.940 -7.601 15.815 386 HD11 LEU 49 1HD1 LEU 49 8.246 -6.342 13.743 387 HD12 LEU 49 2HD1 LEU 49 9.843 -5.642 14.007 388 HD13 LEU 49 3HD1 LEU 49 8.703 -5.764 15.346 389 HD21 LEU 49 3HD2 LEU 49 8.203 -8.986 15.648 390 HD22 LEU 49 1HD2 LEU 49 8.900 -9.526 14.120 391 HD23 LEU 49 2HD2 LEU 49 7.673 -8.259 14.130 392 H LEU 50 H LEU 50 9.549 -6.736 10.671 393 HA LEU 50 HA LEU 50 12.229 -5.931 9.750 394 HB2 LEU 50 1HB LEU 50 9.911 -5.412 8.010 395 HB3 LEU 50 2HB LEU 50 11.535 -5.960 7.603 396 HG LEU 50 HG LEU 50 9.333 -7.697 8.716 397 HD11 LEU 50 1HD1 LEU 50 9.027 -8.560 6.557 398 HD12 LEU 50 2HD1 LEU 50 10.487 -7.783 5.946 399 HD13 LEU 50 3HD1 LEU 50 9.072 -6.809 6.346 400 HD21 LEU 50 3HD2 LEU 50 10.777 -9.505 8.555 401 HD22 LEU 50 1HD2 LEU 50 11.814 -8.233 9.199 402 HD23 LEU 50 2HD2 LEU 50 11.891 -8.650 7.487 403 H ASP 51 H ASP 51 12.467 -3.720 9.011 404 HA ASP 51 HA ASP 51 11.259 -1.864 10.822 405 HB2 ASP 51 1HB ASP 51 13.637 -1.911 9.547 406 HB3 ASP 51 2HB ASP 51 12.748 -0.830 8.478 407 H GLU 52 H GLU 52 10.620 0.377 9.714 408 HA GLU 52 HA GLU 52 8.098 -0.003 8.574 409 HB2 GLU 52 1HB GLU 52 8.151 2.432 8.111 410 HB3 GLU 52 2HB GLU 52 8.637 2.036 9.753 411 HG2 GLU 52 1HG GLU 52 10.999 2.248 9.065 412 HG3 GLU 52 2HG GLU 52 10.455 2.752 7.466 413 H ALA 53 H ALA 53 11.243 0.384 7.109 414 HA ALA 53 HA ALA 53 10.218 0.818 4.454 415 HB1 ALA 53 1HB ALA 53 12.504 0.792 3.741 416 HB2 ALA 53 2HB ALA 53 12.405 1.711 5.244 417 HB3 ALA 53 3HB ALA 53 13.020 0.058 5.260 418 H GLY 54 H GLY 54 10.816 -1.895 6.446 419 HA2 GLY 54 1HA GLY 54 9.856 -4.014 5.740 420 HA3 GLY 54 2HA GLY 54 10.424 -3.662 4.114 421 H GLY 55 H GLY 55 12.922 -2.628 5.800 422 HA2 GLY 55 1HA GLY 55 14.552 -4.862 5.212 423 HA3 GLY 55 2HA GLY 55 15.028 -3.466 6.167 424 H ALA 56 H ALA 56 14.803 -6.699 6.277 425 HA ALA 56 HA ALA 56 13.536 -7.409 8.621 426 HB1 ALA 56 1HB ALA 56 15.161 -9.282 8.743 427 HB2 ALA 56 2HB ALA 56 14.436 -9.078 7.147 428 HB3 ALA 56 3HB ALA 56 16.081 -8.517 7.447 429 H VAL 57 H VAL 57 14.253 -7.719 10.773 430 HA VAL 57 HA VAL 57 16.720 -6.381 11.581 431 HB VAL 57 HB VAL 57 14.103 -5.689 12.913 432 HG11 VAL 57 1HG1 VAL 57 16.940 -4.754 13.204 433 HG12 VAL 57 2HG1 VAL 57 15.580 -3.769 13.747 434 HG13 VAL 57 3HG1 VAL 57 15.844 -5.368 14.442 435 HG21 VAL 57 3HG2 VAL 57 14.029 -4.800 10.669 436 HG22 VAL 57 1HG2 VAL 57 14.319 -3.485 11.808 437 HG23 VAL 57 2HG2 VAL 57 15.650 -4.127 10.845 438 H ALA 58 H ALA 58 13.783 -7.623 13.183 439 HA ALA 58 HA ALA 58 15.515 -9.307 14.860 440 HB1 ALA 58 1HB ALA 58 14.222 -8.803 16.604 441 HB2 ALA 58 2HB ALA 58 13.525 -7.543 15.584 442 HB3 ALA 58 3HB ALA 58 12.740 -9.118 15.700 443 H GLN 59 H GLN 59 14.634 -11.434 15.492 444 HA GLN 59 HA GLN 59 12.873 -12.610 13.456 445 HB2 GLN 59 1HB GLN 59 15.338 -14.012 14.480 446 HB3 GLN 59 2HB GLN 59 14.300 -14.490 13.143 447 HG2 GLN 59 1HG GLN 59 15.983 -13.596 11.940 448 HG3 GLN 59 2HG GLN 59 15.069 -12.116 12.223 449 HE21 GLN 59 2HE2 GLN 59 16.906 -10.840 12.017 450 HE22 GLN 59 1HE2 GLN 59 18.121 -10.773 13.244 451 H GLY 60 H GLY 60 11.402 -14.045 14.206 452 HA2 GLY 60 1HA GLY 60 11.745 -15.321 16.786 453 HA3 GLY 60 2HA GLY 60 10.475 -14.107 16.732 454 H TYR 61 H TYR 61 9.503 -16.386 17.403 455 HA TYR 61 HA TYR 61 8.408 -17.574 14.938 456 HB2 TYR 61 1HB TYR 61 8.807 -18.979 17.586 457 HB3 TYR 61 2HB TYR 61 8.216 -19.701 16.094 458 HD1 TYR 61 HD2 TYR 61 10.132 -18.510 14.146 459 HD2 TYR 61 HD1 TYR 61 10.774 -20.178 18.007 460 HE1 TYR 61 HE2 TYR 61 12.437 -19.084 13.508 461 HE2 TYR 61 HE1 TYR 61 13.081 -20.756 17.380 462 HH TYR 61 HH TYR 61 14.656 -19.480 14.789 463 H VAL 62 H VAL 62 6.227 -17.838 14.796 464 HA VAL 62 HA VAL 62 4.532 -17.448 17.115 465 HB VAL 62 HB VAL 62 4.885 -15.143 16.435 466 HG11 VAL 62 1HG1 VAL 62 4.960 -14.418 14.317 467 HG12 VAL 62 2HG1 VAL 62 5.113 -16.125 13.894 468 HG13 VAL 62 3HG1 VAL 62 3.533 -15.343 13.851 469 HG21 VAL 62 3HG2 VAL 62 2.181 -16.298 15.804 470 HG22 VAL 62 1HG2 VAL 62 2.725 -15.537 17.298 471 HG23 VAL 62 2HG2 VAL 62 2.485 -14.562 15.849 472 HA PRO 63 HA PRO 63 2.167 -20.397 14.833 473 HB2 PRO 63 1HB PRO 63 -0.106 -20.276 16.313 474 HB3 PRO 63 2HB PRO 63 1.362 -21.087 16.871 475 HG2 PRO 63 1HG PRO 63 0.337 -18.355 17.539 476 HG3 PRO 63 2HG PRO 63 1.047 -19.576 18.611 477 HD2 PRO 63 1HD PRO 63 2.456 -17.461 17.677 478 HD3 PRO 63 2HD PRO 63 3.204 -19.037 18.003 479 H HIS 64 H HIS 64 0.477 -20.492 13.345 480 HA HIS 64 HA HIS 64 -0.198 -18.094 12.036 481 HB2 HIS 64 1HB HIS 64 -0.113 -20.217 10.845 482 HB3 HIS 64 2HB HIS 64 -1.444 -20.842 11.813 483 HD1 HIS 64 HD1 HIS 64 -0.939 -17.774 9.603 484 HD2 HIS 64 HD2 HIS 64 -3.743 -20.729 10.419 485 HE1 HIS 64 HE1 HIS 64 -2.878 -17.301 8.073 486 H ASN 65 H ASN 65 -1.595 -19.680 14.725 487 HA ASN 65 HA ASN 65 -4.258 -18.697 14.436 488 HB2 ASN 65 1HB ASN 65 -3.350 -20.661 15.900 489 HB3 ASN 65 2HB ASN 65 -3.048 -19.400 17.092 490 HD21 ASN 65 2HD2 ASN 65 -5.609 -20.545 14.923 491 HD22 ASN 65 1HD2 ASN 65 -6.903 -20.295 16.041 492 H TYR 66 H TYR 66 -1.302 -17.328 15.494 493 HA TYR 66 HA TYR 66 -2.610 -15.201 17.001 494 HB2 TYR 66 1HB TYR 66 -0.203 -16.446 17.339 495 HB3 TYR 66 2HB TYR 66 0.282 -14.985 16.486 496 HD1 TYR 66 HD2 TYR 66 -1.432 -16.250 19.510 497 HD2 TYR 66 HD1 TYR 66 0.310 -12.881 17.581 498 HE1 TYR 66 HE2 TYR 66 -1.547 -14.990 21.619 499 HE2 TYR 66 HE1 TYR 66 0.201 -11.612 19.685 500 HH TYR 66 HH TYR 66 -1.660 -12.403 22.215 501 H LEU 67 H LEU 67 -0.465 -15.526 14.178 502 HA LEU 67 HA LEU 67 -1.050 -12.779 13.397 503 HB2 LEU 67 1HB LEU 67 1.097 -14.646 12.967 504 HB3 LEU 67 2HB LEU 67 0.516 -14.015 11.427 505 HG LEU 67 HG LEU 67 0.951 -11.940 13.435 506 HD11 LEU 67 1HD1 LEU 67 3.253 -13.661 12.538 507 HD12 LEU 67 2HD1 LEU 67 2.741 -13.328 14.192 508 HD13 LEU 67 3HD1 LEU 67 3.431 -12.039 13.207 509 HD21 LEU 67 3HD2 LEU 67 2.441 -12.000 10.895 510 HD22 LEU 67 1HD2 LEU 67 1.474 -10.714 11.618 511 HD23 LEU 67 2HD2 LEU 67 0.682 -12.033 10.755 512 H ALA 68 H ALA 68 -2.084 -12.196 11.506 513 HA ALA 68 HA ALA 68 -3.315 -14.358 9.938 514 HB1 ALA 68 1HB ALA 68 -5.290 -12.564 9.831 515 HB2 ALA 68 2HB ALA 68 -5.206 -13.822 11.066 516 HB3 ALA 68 3HB ALA 68 -4.656 -12.187 11.433 517 H GLU 69 H GLU 69 -3.594 -13.954 7.762 518 HA GLU 69 HA GLU 69 -1.823 -12.141 6.545 519 HB2 GLU 69 1HB GLU 69 -2.688 -12.897 4.466 520 HB3 GLU 69 2HB GLU 69 -2.729 -14.279 5.552 521 HG2 GLU 69 1HG GLU 69 -5.132 -13.809 5.966 522 HG3 GLU 69 2HG GLU 69 -5.049 -12.548 4.737 523 H ARG 70 H ARG 70 -2.285 -10.326 5.185 524 HA ARG 70 HA ARG 70 -4.794 -8.935 5.851 525 HB2 ARG 70 1HB ARG 70 -1.971 -7.919 5.917 526 HB3 ARG 70 2HB ARG 70 -3.303 -6.812 5.615 527 HG2 ARG 70 1HG ARG 70 -3.417 -8.629 7.975 528 HG3 ARG 70 2HG ARG 70 -2.415 -7.177 8.033 529 HD2 ARG 70 1HD ARG 70 -4.383 -6.335 8.835 530 HD3 ARG 70 2HD ARG 70 -4.602 -6.039 7.111 531 HE ARG 70 HE ARG 70 -5.624 -8.581 7.931 532 HH11 ARG 70 1HH1 ARG 70 -6.320 -5.174 7.766 533 HH12 ARG 70 2HH1 ARG 70 -8.039 -5.393 7.748 534 HH21 ARG 70 1HH2 ARG 70 -7.885 -8.883 7.908 535 HH22 ARG 70 2HH2 ARG 70 -8.928 -7.503 7.830 536 H GLU 71 H GLU 71 -3.993 -10.548 3.507 537 HA GLU 71 HA GLU 71 -3.288 -9.050 1.290 538 HB2 GLU 71 1HB GLU 71 -4.347 -10.763 -0.054 539 HB3 GLU 71 2HB GLU 71 -3.526 -11.512 1.308 540 HG2 GLU 71 1HG GLU 71 -5.500 -12.655 1.316 541 HG3 GLU 71 2HG GLU 71 -5.875 -11.348 2.437 542 H THR 72 H THR 72 -4.755 -8.467 -0.563 543 HA THR 72 HA THR 72 -7.439 -7.642 0.132 544 HB THR 72 HB THR 72 -6.191 -5.755 1.017 545 HG1 THR 72 HG1 THR 72 -7.183 -4.817 -1.454 546 HG21 THR 72 3HG2 THR 72 -5.165 -4.765 -1.527 547 HG22 THR 72 1HG2 THR 72 -4.392 -6.263 -1.009 548 HG23 THR 72 2HG2 THR 72 -4.381 -4.853 0.050 Start of MODEL 18 1 H1 MET 1 H MET 1 1.540 3.875 -7.465 2 HA MET 1 HA MET 1 1.829 1.857 -6.279 3 HB2 MET 1 1HB MET 1 0.227 3.837 -4.680 4 HB3 MET 1 2HB MET 1 0.790 2.333 -3.964 5 HG2 MET 1 1HG MET 1 2.723 4.120 -5.364 6 HG3 MET 1 2HG MET 1 2.194 4.503 -3.727 7 HE1 MET 1 3HE MET 1 3.578 4.310 -2.201 8 HE2 MET 1 1HE MET 1 4.364 2.858 -1.579 9 HE3 MET 1 2HE MET 1 5.199 3.880 -2.748 10 H VAL 2 H VAL 2 -0.254 1.392 -8.118 11 HA VAL 2 HA VAL 2 -2.200 -0.116 -6.499 12 HB VAL 2 HB VAL 2 -3.647 -0.116 -8.505 13 HG11 VAL 2 1HG1 VAL 2 -2.868 2.261 -6.982 14 HG12 VAL 2 2HG1 VAL 2 -3.726 2.607 -8.484 15 HG13 VAL 2 3HG1 VAL 2 -4.463 1.566 -7.266 16 HG21 VAL 2 3HG2 VAL 2 -3.064 0.756 -10.508 17 HG22 VAL 2 1HG2 VAL 2 -2.101 2.046 -9.787 18 HG23 VAL 2 2HG2 VAL 2 -1.432 0.420 -9.931 19 H SER 3 H SER 3 -3.033 -2.121 -7.639 20 HA SER 3 HA SER 3 -0.767 -3.540 -8.880 21 HB2 SER 3 1HB SER 3 -1.803 -5.616 -7.901 22 HB3 SER 3 2HB SER 3 -1.191 -4.474 -6.705 23 HG SER 3 HG SER 3 -3.148 -4.793 -5.931 24 H ARG 4 H ARG 4 -1.058 -4.218 -10.891 25 HA ARG 4 HA ARG 4 -3.612 -3.935 -12.177 26 HB2 ARG 4 1HB ARG 4 -1.487 -3.397 -13.324 27 HB3 ARG 4 2HB ARG 4 -1.033 -5.094 -13.245 28 HG2 ARG 4 1HG ARG 4 -2.686 -5.727 -14.778 29 HG3 ARG 4 2HG ARG 4 -3.551 -4.199 -14.602 30 HD2 ARG 4 1HD ARG 4 -0.747 -4.294 -15.661 31 HD3 ARG 4 2HD ARG 4 -2.133 -4.566 -16.716 32 HE ARG 4 HE ARG 4 -2.568 -2.203 -15.286 33 HH11 ARG 4 1HH1 ARG 4 -0.438 -3.464 -17.735 34 HH12 ARG 4 2HH1 ARG 4 -0.169 -1.922 -18.478 35 HH21 ARG 4 1HH2 ARG 4 -2.221 -0.168 -16.256 36 HH22 ARG 4 2HH2 ARG 4 -1.182 -0.048 -17.636 37 H ASP 5 H ASP 5 -1.405 -6.687 -11.654 38 HA ASP 5 HA ASP 5 -3.758 -8.452 -11.632 39 HB2 ASP 5 1HB ASP 5 -2.633 -10.109 -12.944 40 HB3 ASP 5 2HB ASP 5 -2.505 -8.581 -13.812 41 H GLN 6 H GLN 6 -3.444 -10.464 -10.473 42 HA GLN 6 HA GLN 6 -1.359 -10.244 -8.402 43 HB2 GLN 6 1HB GLN 6 -2.981 -11.521 -6.946 44 HB3 GLN 6 2HB GLN 6 -3.451 -9.873 -7.341 45 HG2 GLN 6 1HG GLN 6 -4.433 -12.138 -9.016 46 HG3 GLN 6 2HG GLN 6 -5.192 -11.794 -7.462 47 HE21 GLN 6 2HE2 GLN 6 -5.342 -11.199 -10.684 48 HE22 GLN 6 1HE2 GLN 6 -6.231 -9.717 -10.667 49 H ALA 7 H ALA 7 -0.087 -11.480 -10.032 50 HA ALA 7 HA ALA 7 -0.725 -14.085 -10.830 51 HB1 ALA 7 1HB ALA 7 1.042 -12.966 -11.943 52 HB2 ALA 7 2HB ALA 7 1.928 -12.720 -10.437 53 HB3 ALA 7 3HB ALA 7 1.766 -14.342 -11.110 54 H HIS 8 H HIS 8 1.149 -12.947 -8.030 55 HA HIS 8 HA HIS 8 1.013 -15.663 -6.911 56 HB2 HIS 8 1HB HIS 8 2.810 -14.794 -5.342 57 HB3 HIS 8 2HB HIS 8 3.278 -14.958 -7.032 58 HD1 HIS 8 HD1 HIS 8 4.048 -12.876 -8.229 59 HD2 HIS 8 HD2 HIS 8 2.418 -12.079 -4.491 60 HE1 HIS 8 HE1 HIS 8 4.541 -10.451 -7.783 61 H LEU 9 H LEU 9 0.523 -15.914 -4.655 62 HA LEU 9 HA LEU 9 -1.076 -13.701 -3.548 63 HB2 LEU 9 1HB LEU 9 -1.648 -16.658 -3.472 64 HB3 LEU 9 2HB LEU 9 -2.521 -15.458 -2.523 65 HG LEU 9 HG LEU 9 -2.493 -15.723 -5.527 66 HD11 LEU 9 1HD1 LEU 9 -3.900 -17.248 -3.927 67 HD12 LEU 9 2HD1 LEU 9 -4.622 -16.559 -5.381 68 HD13 LEU 9 3HD1 LEU 9 -4.925 -15.818 -3.810 69 HD21 LEU 9 3HD2 LEU 9 -3.065 -13.449 -3.827 70 HD22 LEU 9 1HD2 LEU 9 -4.464 -13.919 -4.793 71 HD23 LEU 9 2HD2 LEU 9 -2.933 -13.542 -5.584 72 H GLY 10 H GLY 10 0.721 -13.021 -2.302 73 HA2 GLY 10 1HA GLY 10 0.933 -14.417 0.220 74 HA3 GLY 10 2HA GLY 10 2.420 -14.407 -0.716 75 HA PRO 11 HA PRO 11 1.481 -9.772 0.287 76 HB2 PRO 11 1HB PRO 11 -0.588 -9.280 1.975 77 HB3 PRO 11 2HB PRO 11 -0.778 -9.358 0.220 78 HG2 PRO 11 1HG PRO 11 -1.356 -11.449 2.283 79 HG3 PRO 11 2HG PRO 11 -2.314 -10.980 0.867 80 HD2 PRO 11 1HD PRO 11 -0.726 -13.173 0.889 81 HD3 PRO 11 2HD PRO 11 -1.016 -12.218 -0.580 82 H LYS 12 H LYS 12 1.219 -8.461 2.562 83 HA LYS 12 HA LYS 12 3.193 -9.665 4.271 84 HB2 LYS 12 1HB LYS 12 1.811 -7.017 4.143 85 HB3 LYS 12 2HB LYS 12 2.631 -7.477 5.629 86 HG2 LYS 12 1HG LYS 12 4.369 -6.451 4.633 87 HG3 LYS 12 2HG LYS 12 4.573 -8.032 3.874 88 HD2 LYS 12 1HD LYS 12 2.721 -6.174 2.520 89 HD3 LYS 12 2HD LYS 12 4.426 -5.718 2.499 90 HE2 LYS 12 1HE LYS 12 5.030 -7.509 1.218 91 HE3 LYS 12 2HE LYS 12 3.736 -8.531 1.842 92 HZ1 LYS 12 3HZ LYS 12 2.172 -7.095 0.547 93 HZ2 LYS 12 1HZ LYS 12 3.218 -8.035 -0.395 94 HZ3 LYS 12 2HZ LYS 12 3.519 -6.383 -0.189 95 H TYR 13 H TYR 13 2.889 -9.623 6.684 96 HA TYR 13 HA TYR 13 0.190 -10.595 7.359 97 HB2 TYR 13 1HB TYR 13 2.892 -11.450 8.401 98 HB3 TYR 13 2HB TYR 13 1.377 -11.909 9.169 99 HD1 TYR 13 HD1 TYR 13 2.919 -11.934 5.760 100 HD2 TYR 13 HD2 TYR 13 0.498 -13.963 8.610 101 HE1 TYR 13 HE1 TYR 13 2.729 -13.848 4.227 102 HE2 TYR 13 HE2 TYR 13 0.302 -15.883 7.085 103 HH TYR 13 HH TYR 13 1.106 -16.826 5.199 104 H VAL 14 H VAL 14 -0.784 -9.885 9.219 105 HA VAL 14 HA VAL 14 0.680 -8.031 10.948 106 HB VAL 14 HB VAL 14 -0.585 -6.772 9.118 107 HG11 VAL 14 1HG1 VAL 14 -3.041 -7.085 10.747 108 HG12 VAL 14 2HG1 VAL 14 -2.856 -6.762 9.022 109 HG13 VAL 14 3HG1 VAL 14 -2.629 -8.398 9.644 110 HG21 VAL 14 3HG2 VAL 14 -0.599 -6.315 12.028 111 HG22 VAL 14 1HG2 VAL 14 0.002 -5.297 10.719 112 HG23 VAL 14 2HG2 VAL 14 -1.721 -5.324 11.095 113 H GLY 15 H GLY 15 0.046 -8.060 13.061 114 HA2 GLY 15 1HA GLY 15 -2.333 -8.651 14.217 115 HA3 GLY 15 2HA GLY 15 -1.671 -10.240 13.861 116 H LEU 16 H LEU 16 -1.415 -10.854 15.990 117 HA LEU 16 HA LEU 16 -0.427 -11.035 18.032 118 HB2 LEU 16 1HB LEU 16 1.700 -9.925 16.276 119 HB3 LEU 16 2HB LEU 16 2.000 -9.978 18.012 120 HG LEU 16 HG LEU 16 1.028 -12.525 17.116 121 HD11 LEU 16 1HD1 LEU 16 2.165 -11.463 14.995 122 HD12 LEU 16 2HD1 LEU 16 2.450 -13.146 15.440 123 HD13 LEU 16 3HD1 LEU 16 3.645 -11.913 15.843 124 HD21 LEU 16 3HD2 LEU 16 3.538 -12.986 17.891 125 HD22 LEU 16 1HD2 LEU 16 2.230 -12.677 19.033 126 HD23 LEU 16 2HD2 LEU 16 3.330 -11.375 18.580 127 H TRP 17 H TRP 17 -1.853 -9.696 19.157 128 HA TRP 17 HA TRP 17 -1.900 -6.948 19.274 129 HB2 TRP 17 1HB TRP 17 -2.520 -9.046 21.338 130 HB3 TRP 17 2HB TRP 17 -2.692 -7.332 21.705 131 HD1 TRP 17 HD1 TRP 17 -3.629 -8.627 18.238 132 HE1 TRP 17 HE1 TRP 17 -6.176 -8.417 17.936 133 HE3 TRP 17 HE3 TRP 17 -4.904 -7.302 23.008 134 HZ2 TRP 17 HZ2 TRP 17 -8.428 -7.773 19.512 135 HZ3 TRP 17 HZ3 TRP 17 -7.276 -6.906 23.528 136 HH2 TRP 17 HH2 TRP 17 -9.000 -7.137 21.814 137 H ASP 18 H ASP 18 -1.269 -5.613 21.262 138 HA ASP 18 HA ASP 18 1.440 -5.238 21.365 139 HB2 ASP 18 1HB ASP 18 -0.845 -4.406 23.020 140 HB3 ASP 18 2HB ASP 18 0.704 -4.383 23.858 141 H PHE 19 H PHE 19 2.831 -6.868 21.733 142 HA PHE 19 HA PHE 19 2.889 -8.007 24.408 143 HB2 PHE 19 1HB PHE 19 1.574 -9.520 22.736 144 HB3 PHE 19 2HB PHE 19 3.171 -9.908 22.104 145 HD1 PHE 19 HD1 PHE 19 1.109 -9.951 25.180 146 HD2 PHE 19 HD2 PHE 19 4.536 -11.478 23.168 147 HE1 PHE 19 HE1 PHE 19 1.397 -11.633 26.953 148 HE2 PHE 19 HE2 PHE 19 4.828 -13.162 24.937 149 HZ PHE 19 HZ PHE 19 3.257 -13.242 26.832 150 H LYS 20 H LYS 20 4.906 -8.068 25.160 151 HA LYS 20 HA LYS 20 7.121 -8.007 23.216 152 HB2 LYS 20 1HB LYS 20 7.070 -6.634 25.908 153 HB3 LYS 20 2HB LYS 20 8.354 -6.548 24.709 154 HG2 LYS 20 1HG LYS 20 5.552 -5.522 24.302 155 HG3 LYS 20 2HG LYS 20 6.937 -4.533 24.767 156 HD2 LYS 20 1HD LYS 20 8.068 -5.403 22.661 157 HD3 LYS 20 2HD LYS 20 6.480 -6.009 22.186 158 HE2 LYS 20 1HE LYS 20 6.785 -3.870 21.168 159 HE3 LYS 20 2HE LYS 20 5.598 -3.690 22.459 160 HZ1 LYS 20 3HZ LYS 20 7.051 -2.507 23.754 161 HZ2 LYS 20 1HZ LYS 20 7.531 -1.995 22.215 162 HZ3 LYS 20 2HZ LYS 20 8.431 -3.169 23.034 163 H SER 21 H SER 21 7.817 -10.077 23.284 164 HA SER 21 HA SER 21 8.191 -11.372 25.880 165 HB2 SER 21 1HB SER 21 8.727 -12.671 23.221 166 HB3 SER 21 2HB SER 21 8.258 -13.424 24.745 167 HG SER 21 HG SER 21 6.647 -11.838 23.033 168 H ARG 22 H ARG 22 10.189 -12.365 26.449 169 HA ARG 22 HA ARG 22 12.507 -10.980 25.289 170 HB2 ARG 22 1HB ARG 22 12.424 -12.420 27.937 171 HB3 ARG 22 2HB ARG 22 13.617 -11.256 27.376 172 HG2 ARG 22 1HG ARG 22 10.750 -10.689 28.093 173 HG3 ARG 22 2HG ARG 22 12.185 -10.228 29.010 174 HD2 ARG 22 1HD ARG 22 12.919 -8.905 27.008 175 HD3 ARG 22 2HD ARG 22 11.340 -9.233 26.295 176 HE ARG 22 HE ARG 22 10.733 -8.165 28.711 177 HH11 ARG 22 1HH1 ARG 22 12.753 -7.146 26.065 178 HH12 ARG 22 2HH1 ARG 22 12.515 -5.456 26.363 179 HH21 ARG 22 1HH2 ARG 22 10.412 -5.943 29.113 180 HH22 ARG 22 2HH2 ARG 22 11.183 -4.773 28.097 181 H THR 23 H THR 23 11.446 -13.205 23.936 182 HA THR 23 HA THR 23 13.761 -14.975 24.030 183 HB THR 23 HB THR 23 12.036 -16.930 23.690 184 HG1 THR 23 HG1 THR 23 10.152 -16.573 24.962 185 HG21 THR 23 3HG2 THR 23 12.441 -17.594 25.870 186 HG22 THR 23 1HG2 THR 23 12.259 -15.962 26.512 187 HG23 THR 23 2HG2 THR 23 13.715 -16.402 25.619 188 H ASP 24 H ASP 24 14.125 -16.130 22.092 189 HA ASP 24 HA ASP 24 13.337 -14.759 19.742 190 HB2 ASP 24 1HB ASP 24 14.500 -17.530 19.721 191 HB3 ASP 24 2HB ASP 24 14.762 -16.213 18.581 192 H GLU 25 H GLU 25 11.916 -17.306 21.527 193 HA GLU 25 HA GLU 25 10.500 -18.557 19.389 194 HB2 GLU 25 1HB GLU 25 9.746 -18.571 22.311 195 HB3 GLU 25 2HB GLU 25 9.314 -19.758 21.089 196 HG2 GLU 25 1HG GLU 25 11.848 -20.141 20.873 197 HG3 GLU 25 2HG GLU 25 11.951 -19.306 22.422 198 H GLU 26 H GLU 26 10.184 -15.567 20.833 199 HA GLU 26 HA GLU 26 7.491 -15.264 19.729 200 HB2 GLU 26 1HB GLU 26 8.316 -14.720 22.558 201 HB3 GLU 26 2HB GLU 26 7.055 -13.747 21.813 202 HG2 GLU 26 1HG GLU 26 6.129 -16.168 21.193 203 HG3 GLU 26 2HG GLU 26 7.022 -16.577 22.657 204 H LEU 27 H LEU 27 6.906 -13.039 19.299 205 HA LEU 27 HA LEU 27 9.266 -11.427 18.662 206 HB2 LEU 27 1HB LEU 27 6.431 -11.379 17.660 207 HB3 LEU 27 2HB LEU 27 7.608 -10.128 17.264 208 HG LEU 27 HG LEU 27 7.505 -11.609 15.414 209 HD11 LEU 27 1HD1 LEU 27 9.938 -12.615 16.826 210 HD12 LEU 27 2HD1 LEU 27 9.789 -10.906 16.421 211 HD13 LEU 27 3HD1 LEU 27 9.740 -12.122 15.145 212 HD21 LEU 27 3HD2 LEU 27 6.479 -13.490 16.742 213 HD22 LEU 27 1HD2 LEU 27 8.115 -13.925 17.236 214 HD23 LEU 27 2HD2 LEU 27 7.669 -13.970 15.530 215 H SER 28 H SER 28 9.203 -9.111 18.993 216 HA SER 28 HA SER 28 7.511 -8.332 21.278 217 HB2 SER 28 1HB SER 28 9.510 -6.755 21.799 218 HB3 SER 28 2HB SER 28 9.650 -8.461 22.222 219 HG SER 28 HG SER 28 10.611 -7.341 19.799 220 H PHE 29 H PHE 29 5.974 -7.425 19.846 221 HA PHE 29 HA PHE 29 6.541 -4.697 19.148 222 HB2 PHE 29 1HB PHE 29 6.006 -4.868 16.777 223 HB3 PHE 29 2HB PHE 29 7.394 -5.883 17.154 224 HD1 PHE 29 HD2 PHE 29 3.710 -6.011 16.690 225 HD2 PHE 29 HD1 PHE 29 7.405 -8.118 16.540 226 HE1 PHE 29 HE2 PHE 29 2.565 -7.941 15.682 227 HE2 PHE 29 HE1 PHE 29 6.266 -10.051 15.531 228 HZ PHE 29 HZ PHE 29 3.842 -9.965 15.102 229 H ARG 30 H ARG 30 4.581 -3.585 18.297 230 HA ARG 30 HA ARG 30 2.223 -4.652 19.645 231 HB2 ARG 30 1HB ARG 30 1.352 -2.446 19.609 232 HB3 ARG 30 2HB ARG 30 3.056 -2.290 20.013 233 HG2 ARG 30 1HG ARG 30 3.545 -1.691 17.688 234 HG3 ARG 30 2HG ARG 30 1.827 -1.823 17.304 235 HD2 ARG 30 1HD ARG 30 2.784 -0.015 19.494 236 HD3 ARG 30 2HD ARG 30 2.822 0.507 17.811 237 HE ARG 30 HE ARG 30 0.280 -0.396 18.165 238 HH11 ARG 30 1HH1 ARG 30 2.291 1.930 19.797 239 HH12 ARG 30 2HH1 ARG 30 0.964 2.931 20.285 240 HH21 ARG 30 1HH2 ARG 30 -1.476 0.914 18.801 241 HH22 ARG 30 2HH2 ARG 30 -1.179 2.351 19.718 242 H ALA 31 H ALA 31 0.199 -4.845 18.640 243 HA ALA 31 HA ALA 31 0.093 -6.027 16.168 244 HB1 ALA 31 1HB ALA 31 -1.755 -5.309 18.131 245 HB2 ALA 31 2HB ALA 31 -2.353 -4.582 16.639 246 HB3 ALA 31 3HB ALA 31 -2.041 -6.316 16.712 247 H GLY 32 H GLY 32 -0.976 -5.274 14.161 248 HA2 GLY 32 1HA GLY 32 -1.501 -3.602 12.586 249 HA3 GLY 32 2HA GLY 32 -0.772 -2.405 13.646 250 H ASP 33 H ASP 33 1.594 -4.308 13.928 251 HA ASP 33 HA ASP 33 3.187 -3.117 11.897 252 HB2 ASP 33 1HB ASP 33 3.625 -5.002 14.144 253 HB3 ASP 33 2HB ASP 33 4.791 -5.076 12.826 254 H VAL 34 H VAL 34 4.214 -4.066 10.125 255 HA VAL 34 HA VAL 34 2.826 -6.427 9.066 256 HB VAL 34 HB VAL 34 3.593 -5.737 6.867 257 HG11 VAL 34 1HG1 VAL 34 2.419 -3.410 8.385 258 HG12 VAL 34 2HG1 VAL 34 2.331 -3.671 6.642 259 HG13 VAL 34 3HG1 VAL 34 1.511 -4.778 7.743 260 HG21 VAL 34 3HG2 VAL 34 5.033 -3.554 8.364 261 HG22 VAL 34 1HG2 VAL 34 5.740 -4.817 7.355 262 HG23 VAL 34 2HG2 VAL 34 4.770 -3.540 6.620 263 H PHE 35 H PHE 35 3.895 -8.249 8.458 264 HA PHE 35 HA PHE 35 6.805 -8.295 8.455 265 HB2 PHE 35 1HB PHE 35 6.335 -10.560 9.906 266 HB3 PHE 35 2HB PHE 35 6.858 -9.025 10.592 267 HD1 PHE 35 HD2 PHE 35 4.025 -11.291 10.099 268 HD2 PHE 35 HD1 PHE 35 5.350 -7.649 11.858 269 HE1 PHE 35 HE2 PHE 35 1.984 -11.215 11.470 270 HE2 PHE 35 HE1 PHE 35 3.311 -7.567 13.233 271 HZ PHE 35 HZ PHE 35 1.624 -9.352 13.039 272 H HIS 36 H HIS 36 7.642 -10.447 7.736 273 HA HIS 36 HA HIS 36 5.748 -11.689 5.850 274 HB2 HIS 36 1HB HIS 36 8.585 -10.844 5.563 275 HB3 HIS 36 2HB HIS 36 8.099 -12.323 4.739 276 HD1 HIS 36 HD1 HIS 36 5.581 -11.804 3.417 277 HD2 HIS 36 HD2 HIS 36 8.384 -8.770 3.863 278 HE1 HIS 36 HE1 HIS 36 5.013 -10.100 1.656 279 H VAL 37 H VAL 37 6.077 -13.958 5.381 280 HA VAL 37 HA VAL 37 6.830 -15.427 7.777 281 HB VAL 37 HB VAL 37 5.862 -17.392 6.581 282 HG11 VAL 37 1HG1 VAL 37 4.417 -16.287 8.074 283 HG12 VAL 37 2HG1 VAL 37 4.210 -14.913 6.986 284 HG13 VAL 37 3HG1 VAL 37 3.490 -16.473 6.585 285 HG21 VAL 37 3HG2 VAL 37 6.088 -15.652 4.346 286 HG22 VAL 37 1HG2 VAL 37 5.548 -17.330 4.385 287 HG23 VAL 37 2HG2 VAL 37 4.381 -16.023 4.584 288 H ALA 38 H ALA 38 8.748 -16.352 8.013 289 HA ALA 38 HA ALA 38 10.593 -16.498 5.795 290 HB1 ALA 38 1HB ALA 38 12.248 -17.090 7.413 291 HB2 ALA 38 2HB ALA 38 11.267 -15.790 8.091 292 HB3 ALA 38 3HB ALA 38 11.015 -17.454 8.620 293 H ARG 39 H ARG 39 8.971 -18.790 7.967 294 HA ARG 39 HA ARG 39 9.199 -20.848 5.921 295 HB2 ARG 39 1HB ARG 39 10.484 -21.000 8.627 296 HB3 ARG 39 2HB ARG 39 9.905 -22.464 7.844 297 HG2 ARG 39 1HG ARG 39 11.822 -20.548 6.544 298 HG3 ARG 39 2HG ARG 39 12.333 -21.937 7.507 299 HD2 ARG 39 1HD ARG 39 10.408 -22.299 5.248 300 HD3 ARG 39 2HD ARG 39 12.135 -22.156 4.922 301 HE ARG 39 HE ARG 39 11.793 -24.071 6.921 302 HH11 ARG 39 1HH1 ARG 39 11.036 -23.616 3.554 303 HH12 ARG 39 2HH1 ARG 39 11.085 -25.307 3.180 304 HH21 ARG 39 1HH2 ARG 39 11.860 -26.300 6.442 305 HH22 ARG 39 2HH2 ARG 39 11.552 -26.833 4.824 306 H LYS 40 H LYS 40 7.469 -22.175 5.870 307 HA LYS 40 HA LYS 40 5.461 -21.827 7.995 308 HB2 LYS 40 1HB LYS 40 3.869 -22.698 6.195 309 HB3 LYS 40 2HB LYS 40 4.512 -21.076 5.977 310 HG2 LYS 40 1HG LYS 40 5.981 -23.328 4.724 311 HG3 LYS 40 2HG LYS 40 4.444 -22.836 4.009 312 HD2 LYS 40 1HD LYS 40 5.244 -20.800 3.355 313 HD3 LYS 40 2HD LYS 40 6.401 -20.705 4.686 314 HE2 LYS 40 1HE LYS 40 7.822 -21.054 2.922 315 HE3 LYS 40 2HE LYS 40 7.524 -22.717 3.425 316 HZ1 LYS 40 3HZ LYS 40 7.328 -22.498 1.040 317 HZ2 LYS 40 1HZ LYS 40 6.151 -21.295 1.208 318 HZ3 LYS 40 2HZ LYS 40 5.820 -22.877 1.704 319 H GLU 41 H GLU 41 5.555 -23.458 9.399 320 HA GLU 41 HA GLU 41 5.994 -26.178 8.363 321 HB2 GLU 41 1HB GLU 41 7.501 -25.008 10.202 322 HB3 GLU 41 2HB GLU 41 6.214 -25.548 11.271 323 HG2 GLU 41 1HG GLU 41 8.083 -27.131 11.161 324 HG3 GLU 41 2HG GLU 41 6.563 -27.837 10.615 325 H GLU 42 H GLU 42 4.872 -27.921 9.605 326 HA GLU 42 HA GLU 42 2.072 -27.377 9.681 327 HB2 GLU 42 1HB GLU 42 1.803 -29.722 10.174 328 HB3 GLU 42 2HB GLU 42 3.034 -29.541 8.933 329 HG2 GLU 42 1HG GLU 42 4.781 -29.962 10.486 330 HG3 GLU 42 2HG GLU 42 3.669 -29.871 11.851 331 H GLN 43 H GLN 43 4.602 -27.477 12.037 332 HA GLN 43 HA GLN 43 2.757 -27.646 14.276 333 HB2 GLN 43 1HB GLN 43 5.735 -27.157 14.350 334 HB3 GLN 43 2HB GLN 43 4.710 -27.682 15.679 335 HG2 GLN 43 1HG GLN 43 4.206 -29.712 14.140 336 HG3 GLN 43 2HG GLN 43 5.689 -29.224 13.322 337 HE21 GLN 43 2HE2 GLN 43 7.146 -30.683 13.914 338 HE22 GLN 43 1HE2 GLN 43 7.527 -31.116 15.543 339 H TRP 44 H TRP 44 5.385 -25.379 13.448 340 HA TRP 44 HA TRP 44 3.624 -23.165 14.238 341 HB2 TRP 44 1HB TRP 44 6.536 -23.280 15.022 342 HB3 TRP 44 2HB TRP 44 5.317 -22.129 15.559 343 HD1 TRP 44 HD1 TRP 44 6.822 -25.458 16.412 344 HE1 TRP 44 HE1 TRP 44 5.683 -26.413 18.513 345 HE3 TRP 44 HE3 TRP 44 2.903 -22.194 16.765 346 HZ2 TRP 44 HZ2 TRP 44 3.421 -25.856 20.109 347 HZ3 TRP 44 HZ3 TRP 44 1.297 -22.474 18.607 348 HH2 TRP 44 HH2 TRP 44 1.552 -24.268 20.243 349 H TRP 45 H TRP 45 4.224 -21.096 13.353 350 HA TRP 45 HA TRP 45 5.700 -21.376 10.824 351 HB2 TRP 45 1HB TRP 45 3.420 -19.612 11.672 352 HB3 TRP 45 2HB TRP 45 4.435 -19.170 10.302 353 HD1 TRP 45 HD1 TRP 45 3.597 -22.843 10.864 354 HE1 TRP 45 HE1 TRP 45 2.040 -23.640 8.975 355 HE3 TRP 45 HE3 TRP 45 2.630 -18.336 8.654 356 HZ2 TRP 45 HZ2 TRP 45 0.595 -22.507 6.831 357 HZ3 TRP 45 HZ3 TRP 45 1.151 -18.279 6.689 358 HH2 TRP 45 HH2 TRP 45 0.156 -20.323 5.797 359 H TRP 46 H TRP 46 7.150 -19.740 10.168 360 HA TRP 46 HA TRP 46 8.377 -18.327 12.420 361 HB2 TRP 46 1HB TRP 46 9.359 -19.355 9.800 362 HB3 TRP 46 2HB TRP 46 10.164 -17.945 10.483 363 HD1 TRP 46 HD1 TRP 46 9.387 -21.623 11.382 364 HE1 TRP 46 HE1 TRP 46 11.196 -22.445 13.017 365 HE3 TRP 46 HE3 TRP 46 11.917 -17.234 12.068 366 HZ2 TRP 46 HZ2 TRP 46 13.404 -21.375 14.413 367 HZ3 TRP 46 HZ3 TRP 46 13.866 -17.218 13.569 368 HH2 TRP 46 HH2 TRP 46 14.592 -19.247 14.717 369 H ALA 47 H ALA 47 8.374 -16.169 12.594 370 HA ALA 47 HA ALA 47 7.545 -14.575 10.263 371 HB1 ALA 47 1HB ALA 47 5.708 -14.982 11.997 372 HB2 ALA 47 2HB ALA 47 6.632 -13.900 13.041 373 HB3 ALA 47 3HB ALA 47 6.008 -13.317 11.497 374 H THR 48 H THR 48 8.487 -12.564 10.056 375 HA THR 48 HA THR 48 10.479 -11.807 12.084 376 HB THR 48 HB THR 48 10.935 -11.816 9.094 377 HG1 THR 48 HG1 THR 48 11.162 -13.806 10.595 378 HG21 THR 48 3HG2 THR 48 12.729 -10.900 11.344 379 HG22 THR 48 1HG2 THR 48 11.970 -9.868 10.132 380 HG23 THR 48 2HG2 THR 48 13.202 -11.036 9.651 381 H LEU 49 H LEU 49 10.413 -9.725 12.657 382 HA LEU 49 HA LEU 49 8.600 -7.954 11.200 383 HB2 LEU 49 1HB LEU 49 8.075 -7.956 13.466 384 HB3 LEU 49 2HB LEU 49 9.768 -7.955 13.955 385 HG LEU 49 HG LEU 49 9.938 -5.602 13.191 386 HD11 LEU 49 1HD1 LEU 49 7.580 -6.148 11.861 387 HD12 LEU 49 2HD1 LEU 49 8.323 -4.563 12.068 388 HD13 LEU 49 3HD1 LEU 49 7.081 -5.108 13.195 389 HD21 LEU 49 3HD2 LEU 49 9.006 -6.562 15.540 390 HD22 LEU 49 1HD2 LEU 49 7.678 -5.501 15.070 391 HD23 LEU 49 2HD2 LEU 49 9.313 -4.855 15.219 392 H LEU 50 H LEU 50 9.297 -6.336 9.965 393 HA LEU 50 HA LEU 50 12.151 -5.624 10.096 394 HB2 LEU 50 1HB LEU 50 10.508 -4.914 7.732 395 HB3 LEU 50 2HB LEU 50 12.207 -5.373 7.832 396 HG LEU 50 HG LEU 50 9.852 -7.254 7.992 397 HD11 LEU 50 1HD1 LEU 50 11.928 -7.024 5.828 398 HD12 LEU 50 2HD1 LEU 50 10.358 -6.226 5.753 399 HD13 LEU 50 3HD1 LEU 50 10.450 -7.986 5.821 400 HD21 LEU 50 3HD2 LEU 50 12.771 -7.958 7.809 401 HD22 LEU 50 1HD2 LEU 50 11.405 -9.030 8.119 402 HD23 LEU 50 2HD2 LEU 50 11.902 -7.860 9.341 403 H ASP 51 H ASP 51 12.679 -3.370 9.524 404 HA ASP 51 HA ASP 51 11.028 -1.558 11.020 405 HB2 ASP 51 1HB ASP 51 12.775 0.050 10.690 406 HB3 ASP 51 2HB ASP 51 13.541 -1.505 11.003 407 H GLU 52 H GLU 52 10.868 0.774 9.930 408 HA GLU 52 HA GLU 52 8.842 0.618 8.021 409 HB2 GLU 52 1HB GLU 52 9.004 3.019 7.847 410 HB3 GLU 52 2HB GLU 52 9.235 2.552 9.527 411 HG2 GLU 52 1HG GLU 52 11.630 2.833 9.306 412 HG3 GLU 52 2HG GLU 52 11.444 3.225 7.597 413 H ALA 53 H ALA 53 12.276 0.633 7.655 414 HA ALA 53 HA ALA 53 12.294 1.434 4.897 415 HB1 ALA 53 1HB ALA 53 14.614 1.120 4.957 416 HB2 ALA 53 2HB ALA 53 14.199 1.673 6.581 417 HB3 ALA 53 3HB ALA 53 14.512 -0.037 6.285 418 H GLY 54 H GLY 54 11.678 -1.479 6.578 419 HA2 GLY 54 1HA GLY 54 10.820 -3.433 5.608 420 HA3 GLY 54 2HA GLY 54 11.412 -2.891 4.044 421 H GLY 55 H GLY 55 13.634 -2.725 6.656 422 HA2 GLY 55 1HA GLY 55 15.315 -4.702 5.383 423 HA3 GLY 55 2HA GLY 55 15.728 -3.722 6.782 424 H ALA 56 H ALA 56 15.239 -4.461 8.852 425 HA ALA 56 HA ALA 56 13.692 -6.716 9.457 426 HB1 ALA 56 1HB ALA 56 15.059 -8.275 8.541 427 HB2 ALA 56 2HB ALA 56 16.497 -7.263 8.685 428 HB3 ALA 56 3HB ALA 56 15.872 -8.113 10.098 429 H VAL 57 H VAL 57 13.765 -7.282 11.691 430 HA VAL 57 HA VAL 57 15.446 -5.564 13.380 431 HB VAL 57 HB VAL 57 12.496 -5.996 13.862 432 HG11 VAL 57 1HG1 VAL 57 14.614 -5.194 15.565 433 HG12 VAL 57 2HG1 VAL 57 13.593 -3.785 15.272 434 HG13 VAL 57 3HG1 VAL 57 12.888 -5.267 15.920 435 HG21 VAL 57 3HG2 VAL 57 12.229 -3.627 13.286 436 HG22 VAL 57 1HG2 VAL 57 13.936 -3.546 12.849 437 HG23 VAL 57 2HG2 VAL 57 12.835 -4.563 11.920 438 H ALA 58 H ALA 58 12.823 -7.917 13.917 439 HA ALA 58 HA ALA 58 14.737 -9.626 15.351 440 HB1 ALA 58 1HB ALA 58 13.492 -9.756 17.263 441 HB2 ALA 58 2HB ALA 58 13.133 -8.098 16.781 442 HB3 ALA 58 3HB ALA 58 11.979 -9.386 16.436 443 H GLN 59 H GLN 59 14.039 -11.858 15.578 444 HA GLN 59 HA GLN 59 12.045 -12.659 13.565 445 HB2 GLN 59 1HB GLN 59 14.551 -14.228 14.145 446 HB3 GLN 59 2HB GLN 59 13.425 -14.438 12.811 447 HG2 GLN 59 1HG GLN 59 14.113 -12.217 11.950 448 HG3 GLN 59 2HG GLN 59 15.328 -12.146 13.226 449 HE21 GLN 59 2HE2 GLN 59 15.705 -12.116 10.357 450 HE22 GLN 59 1HE2 GLN 59 16.703 -13.474 9.978 451 H GLY 60 H GLY 60 10.571 -14.124 14.204 452 HA2 GLY 60 1HA GLY 60 11.087 -15.924 16.406 453 HA3 GLY 60 2HA GLY 60 9.922 -14.660 16.773 454 H TYR 61 H TYR 61 9.497 -17.530 16.681 455 HA TYR 61 HA TYR 61 7.680 -17.764 14.381 456 HB2 TYR 61 1HB TYR 61 7.832 -20.129 14.592 457 HB3 TYR 61 2HB TYR 61 9.475 -19.515 14.739 458 HD1 TYR 61 HD1 TYR 61 6.658 -21.031 16.546 459 HD2 TYR 61 HD2 TYR 61 10.691 -19.701 16.813 460 HE1 TYR 61 HE1 TYR 61 6.901 -22.216 18.687 461 HE2 TYR 61 HE2 TYR 61 10.945 -20.884 18.955 462 HH TYR 61 HH TYR 61 8.791 -23.194 20.046 463 H VAL 62 H VAL 62 5.528 -18.080 14.656 464 HA VAL 62 HA VAL 62 4.448 -18.666 17.289 465 HB VAL 62 HB VAL 62 2.823 -16.703 17.041 466 HG11 VAL 62 1HG1 VAL 62 4.527 -16.821 18.780 467 HG12 VAL 62 2HG1 VAL 62 5.721 -16.146 17.670 468 HG13 VAL 62 3HG1 VAL 62 4.347 -15.170 18.189 469 HG21 VAL 62 3HG2 VAL 62 3.822 -16.301 14.647 470 HG22 VAL 62 1HG2 VAL 62 3.288 -14.945 15.640 471 HG23 VAL 62 2HG2 VAL 62 5.003 -15.338 15.534 472 HA PRO 63 HA PRO 63 1.332 -20.734 14.991 473 HB2 PRO 63 1HB PRO 63 -0.810 -20.490 16.641 474 HB3 PRO 63 2HB PRO 63 0.558 -21.552 16.994 475 HG2 PRO 63 1HG PRO 63 -0.028 -18.808 18.038 476 HG3 PRO 63 2HG PRO 63 0.563 -20.235 18.910 477 HD2 PRO 63 1HD PRO 63 2.202 -18.230 18.117 478 HD3 PRO 63 2HD PRO 63 2.736 -19.921 18.207 479 H HIS 64 H HIS 64 -0.441 -20.421 13.634 480 HA HIS 64 HA HIS 64 -0.819 -17.884 12.558 481 HB2 HIS 64 1HB HIS 64 -1.335 -20.052 11.420 482 HB3 HIS 64 2HB HIS 64 -2.781 -20.181 12.417 483 HD1 HIS 64 HD1 HIS 64 -4.663 -18.367 11.981 484 HD2 HIS 64 HD2 HIS 64 -1.576 -18.443 9.202 485 HE1 HIS 64 HE1 HIS 64 -5.510 -17.071 9.999 486 H ASN 65 H ASN 65 -2.329 -19.404 15.271 487 HA ASN 65 HA ASN 65 -4.706 -17.904 15.397 488 HB2 ASN 65 1HB ASN 65 -4.278 -19.959 16.722 489 HB3 ASN 65 2HB ASN 65 -3.118 -19.063 17.697 490 HD21 ASN 65 2HD2 ASN 65 -3.849 -18.200 19.497 491 HD22 ASN 65 1HD2 ASN 65 -5.502 -17.854 19.860 492 H TYR 66 H TYR 66 -1.447 -17.050 16.001 493 HA TYR 66 HA TYR 66 -2.034 -14.846 17.765 494 HB2 TYR 66 1HB TYR 66 0.264 -16.305 17.074 495 HB3 TYR 66 2HB TYR 66 0.555 -14.668 16.497 496 HD1 TYR 66 HD1 TYR 66 -0.858 -13.075 18.547 497 HD2 TYR 66 HD2 TYR 66 1.627 -16.504 18.956 498 HE1 TYR 66 HE1 TYR 66 -0.274 -12.371 20.830 499 HE2 TYR 66 HE2 TYR 66 2.218 -15.811 21.241 500 HH TYR 66 HH TYR 66 1.481 -14.435 22.996 501 H LEU 67 H LEU 67 -0.993 -15.210 14.386 502 HA LEU 67 HA LEU 67 -2.287 -12.676 13.752 503 HB2 LEU 67 1HB LEU 67 -0.417 -11.698 12.717 504 HB3 LEU 67 2HB LEU 67 0.137 -12.255 14.294 505 HG LEU 67 HG LEU 67 1.872 -12.749 12.779 506 HD11 LEU 67 1HD1 LEU 67 1.048 -14.595 14.354 507 HD12 LEU 67 2HD1 LEU 67 2.143 -15.049 13.049 508 HD13 LEU 67 3HD1 LEU 67 0.415 -15.367 12.900 509 HD21 LEU 67 3HD2 LEU 67 1.628 -13.282 10.612 510 HD22 LEU 67 1HD2 LEU 67 -0.032 -12.730 10.841 511 HD23 LEU 67 2HD2 LEU 67 0.346 -14.450 10.938 512 H ALA 68 H ALA 68 -2.509 -12.340 11.407 513 HA ALA 68 HA ALA 68 -2.109 -14.674 9.721 514 HB1 ALA 68 1HB ALA 68 -4.361 -14.854 10.946 515 HB2 ALA 68 2HB ALA 68 -4.883 -13.548 9.880 516 HB3 ALA 68 3HB ALA 68 -4.343 -15.082 9.197 517 H GLU 69 H GLU 69 -2.158 -14.218 7.509 518 HA GLU 69 HA GLU 69 -1.314 -11.686 6.721 519 HB2 GLU 69 1HB GLU 69 -1.658 -12.467 4.414 520 HB3 GLU 69 2HB GLU 69 -0.855 -13.680 5.401 521 HG2 GLU 69 1HG GLU 69 -3.259 -14.601 5.752 522 HG3 GLU 69 2HG GLU 69 -3.626 -13.668 4.302 523 H ARG 70 H ARG 70 -2.321 -9.851 6.195 524 HA ARG 70 HA ARG 70 -5.259 -9.904 6.011 525 HB2 ARG 70 1HB ARG 70 -3.336 -7.985 7.229 526 HB3 ARG 70 2HB ARG 70 -4.803 -7.328 6.516 527 HG2 ARG 70 1HG ARG 70 -5.972 -9.173 7.954 528 HG3 ARG 70 2HG ARG 70 -4.475 -9.099 8.885 529 HD2 ARG 70 1HD ARG 70 -4.968 -6.486 8.691 530 HD3 ARG 70 2HD ARG 70 -6.622 -7.082 8.564 531 HE ARG 70 HE ARG 70 -4.988 -7.033 10.907 532 HH11 ARG 70 1HH1 ARG 70 -7.564 -8.741 9.304 533 HH12 ARG 70 2HH1 ARG 70 -8.238 -9.367 10.772 534 HH21 ARG 70 1HH2 ARG 70 -5.866 -7.851 12.846 535 HH22 ARG 70 2HH2 ARG 70 -7.272 -8.860 12.787 536 H GLU 71 H GLU 71 -5.312 -10.291 3.773 537 HA GLU 71 HA GLU 71 -3.881 -8.932 1.815 538 HB2 GLU 71 1HB GLU 71 -6.731 -9.887 1.527 539 HB3 GLU 71 2HB GLU 71 -5.539 -9.691 0.250 540 HG2 GLU 71 1HG GLU 71 -4.172 -11.455 1.441 541 HG3 GLU 71 2HG GLU 71 -5.606 -11.762 2.419 542 H THR 72 H THR 72 -4.619 -7.286 0.302 543 HA THR 72 HA THR 72 -6.100 -5.172 1.700 544 HB THR 72 HB THR 72 -5.105 -3.668 -0.069 545 HG1 THR 72 HG1 THR 72 -4.228 -4.730 -1.678 546 HG21 THR 72 3HG2 THR 72 -2.802 -3.742 0.932 547 HG22 THR 72 1HG2 THR 72 -3.291 -5.202 1.789 548 HG23 THR 72 2HG2 THR 72 -4.115 -3.676 2.106 Start of MODEL 19 1 H1 MET 1 H MET 1 18.072 -0.972 -7.390 2 HA MET 1 HA MET 1 17.338 -2.636 -5.077 3 HB2 MET 1 1HB MET 1 16.845 -0.533 -3.914 4 HB3 MET 1 2HB MET 1 18.505 -0.573 -4.491 5 HG2 MET 1 1HG MET 1 17.739 0.758 -6.476 6 HG3 MET 1 2HG MET 1 16.192 0.949 -5.654 7 HE1 MET 1 3HE MET 1 16.864 4.343 -4.537 8 HE2 MET 1 1HE MET 1 17.369 3.909 -6.170 9 HE3 MET 1 2HE MET 1 15.924 3.178 -5.471 10 H VAL 2 H VAL 2 16.007 -3.047 -7.503 11 HA VAL 2 HA VAL 2 13.504 -1.596 -7.433 12 HB VAL 2 HB VAL 2 12.848 -2.952 -9.336 13 HG11 VAL 2 1HG1 VAL 2 14.481 -1.002 -9.544 14 HG12 VAL 2 2HG1 VAL 2 15.729 -2.227 -9.780 15 HG13 VAL 2 3HG1 VAL 2 14.377 -2.116 -10.907 16 HG21 VAL 2 3HG2 VAL 2 13.574 -5.103 -9.063 17 HG22 VAL 2 1HG2 VAL 2 14.794 -4.519 -10.196 18 HG23 VAL 2 2HG2 VAL 2 15.162 -4.611 -8.473 19 H SER 3 H SER 3 14.782 -4.619 -6.292 20 HA SER 3 HA SER 3 12.088 -5.469 -5.468 21 HB2 SER 3 1HB SER 3 14.620 -6.993 -6.026 22 HB3 SER 3 2HB SER 3 13.346 -7.698 -5.032 23 HG SER 3 HG SER 3 12.628 -8.286 -6.937 24 H ARG 4 H ARG 4 11.573 -5.097 -3.426 25 HA ARG 4 HA ARG 4 13.486 -4.277 -1.484 26 HB2 ARG 4 1HB ARG 4 10.638 -5.142 -0.974 27 HB3 ARG 4 2HB ARG 4 11.630 -4.090 0.027 28 HG2 ARG 4 1HG ARG 4 11.570 -2.358 -1.632 29 HG3 ARG 4 2HG ARG 4 10.736 -3.421 -2.767 30 HD2 ARG 4 1HD ARG 4 9.684 -2.345 -0.156 31 HD3 ARG 4 2HD ARG 4 9.128 -1.938 -1.779 32 HE ARG 4 HE ARG 4 8.792 -4.651 -1.565 33 HH11 ARG 4 1HH1 ARG 4 7.684 -1.850 0.181 34 HH12 ARG 4 2HH1 ARG 4 6.191 -2.583 0.667 35 HH21 ARG 4 1HH2 ARG 4 6.830 -5.626 -0.931 36 HH22 ARG 4 2HH2 ARG 4 5.707 -4.731 0.035 37 H ASP 5 H ASP 5 11.689 -7.262 -2.067 38 HA ASP 5 HA ASP 5 13.669 -8.783 -0.635 39 HB2 ASP 5 1HB ASP 5 12.081 -7.949 1.150 40 HB3 ASP 5 2HB ASP 5 10.826 -8.913 0.376 41 H GLN 6 H GLN 6 14.043 -10.253 -2.167 42 HA GLN 6 HA GLN 6 11.842 -11.325 -3.743 43 HB2 GLN 6 1HB GLN 6 14.125 -10.599 -4.681 44 HB3 GLN 6 2HB GLN 6 14.737 -12.102 -4.003 45 HG2 GLN 6 1HG GLN 6 13.640 -13.401 -5.517 46 HG3 GLN 6 2HG GLN 6 12.337 -12.234 -5.740 47 HE21 GLN 6 2HE2 GLN 6 15.476 -13.250 -6.746 48 HE22 GLN 6 1HE2 GLN 6 15.621 -12.189 -8.101 49 H ALA 7 H ALA 7 13.911 -12.220 -1.121 50 HA ALA 7 HA ALA 7 13.709 -15.026 -1.304 51 HB1 ALA 7 1HB ALA 7 15.147 -14.876 0.375 52 HB2 ALA 7 2HB ALA 7 14.848 -13.140 0.479 53 HB3 ALA 7 3HB ALA 7 13.871 -14.261 1.426 54 H HIS 8 H HIS 8 11.533 -12.585 -0.125 55 HA HIS 8 HA HIS 8 9.604 -14.699 0.559 56 HB2 HIS 8 1HB HIS 8 9.769 -12.063 2.018 57 HB3 HIS 8 2HB HIS 8 8.817 -13.479 2.452 58 HD1 HIS 8 HD1 HIS 8 11.135 -15.579 2.161 59 HD2 HIS 8 HD2 HIS 8 11.373 -11.994 4.246 60 HE1 HIS 8 HE1 HIS 8 12.974 -15.902 3.845 61 H LEU 9 H LEU 9 7.928 -14.614 -0.770 62 HA LEU 9 HA LEU 9 7.204 -12.032 -1.976 63 HB2 LEU 9 1HB LEU 9 7.037 -14.858 -2.890 64 HB3 LEU 9 2HB LEU 9 5.830 -13.718 -3.479 65 HG LEU 9 HG LEU 9 7.663 -12.307 -4.371 66 HD11 LEU 9 1HD1 LEU 9 9.434 -13.024 -2.855 67 HD12 LEU 9 2HD1 LEU 9 9.909 -13.245 -4.539 68 HD13 LEU 9 3HD1 LEU 9 9.408 -14.634 -3.575 69 HD21 LEU 9 3HD2 LEU 9 7.167 -15.100 -5.272 70 HD22 LEU 9 1HD2 LEU 9 8.423 -14.161 -6.079 71 HD23 LEU 9 2HD2 LEU 9 6.762 -13.570 -6.052 72 H GLY 10 H GLY 10 5.616 -11.059 -0.893 73 HA2 GLY 10 1HA GLY 10 3.013 -11.788 -0.820 74 HA3 GLY 10 2HA GLY 10 3.666 -12.576 0.609 75 HA PRO 11 HA PRO 11 2.519 -8.015 1.348 76 HB2 PRO 11 1HB PRO 11 0.226 -8.409 2.747 77 HB3 PRO 11 2HB PRO 11 0.256 -8.200 0.992 78 HG2 PRO 11 1HG PRO 11 0.077 -10.721 2.597 79 HG3 PRO 11 2HG PRO 11 -0.816 -10.258 1.137 80 HD2 PRO 11 1HD PRO 11 1.318 -11.924 1.073 81 HD3 PRO 11 2HD PRO 11 0.929 -10.818 -0.260 82 H LYS 12 H LYS 12 1.654 -7.271 3.726 83 HA LYS 12 HA LYS 12 3.682 -8.251 5.523 84 HB2 LYS 12 1HB LYS 12 1.662 -6.037 5.605 85 HB3 LYS 12 2HB LYS 12 2.478 -6.530 7.082 86 HG2 LYS 12 1HG LYS 12 3.786 -4.786 6.314 87 HG3 LYS 12 2HG LYS 12 4.648 -6.212 5.731 88 HD2 LYS 12 1HD LYS 12 2.845 -5.637 3.705 89 HD3 LYS 12 2HD LYS 12 3.408 -4.052 4.241 90 HE2 LYS 12 1HE LYS 12 5.143 -4.423 2.873 91 HE3 LYS 12 2HE LYS 12 5.733 -5.480 4.155 92 HZ1 LYS 12 3HZ LYS 12 5.682 -6.492 1.893 93 HZ2 LYS 12 1HZ LYS 12 3.993 -6.416 1.944 94 HZ3 LYS 12 2HZ LYS 12 4.831 -7.364 3.066 95 H TYR 13 H TYR 13 3.099 -8.704 7.843 96 HA TYR 13 HA TYR 13 0.582 -10.221 8.025 97 HB2 TYR 13 1HB TYR 13 3.373 -11.080 8.650 98 HB3 TYR 13 2HB TYR 13 2.061 -11.702 9.645 99 HD1 TYR 13 HD2 TYR 13 0.190 -12.974 8.529 100 HD2 TYR 13 HD1 TYR 13 3.790 -11.958 6.500 101 HE1 TYR 13 HE2 TYR 13 -0.288 -14.690 6.834 102 HE2 TYR 13 HE1 TYR 13 3.321 -13.671 4.798 103 HH TYR 13 HH TYR 13 2.049 -15.582 4.411 104 H VAL 14 H VAL 14 -0.580 -9.962 9.854 105 HA VAL 14 HA VAL 14 0.654 -8.665 12.168 106 HB VAL 14 HB VAL 14 -0.566 -7.016 10.522 107 HG11 VAL 14 1HG1 VAL 14 -2.641 -8.622 10.759 108 HG12 VAL 14 2HG1 VAL 14 -2.944 -7.644 12.197 109 HG13 VAL 14 3HG1 VAL 14 -2.848 -6.877 10.611 110 HG21 VAL 14 3HG2 VAL 14 -0.125 -7.092 13.349 111 HG22 VAL 14 1HG2 VAL 14 -0.087 -5.711 12.254 112 HG23 VAL 14 2HG2 VAL 14 -1.605 -6.198 13.008 113 H GLY 15 H GLY 15 -0.672 -8.798 14.116 114 HA2 GLY 15 1HA GLY 15 -3.044 -9.925 14.610 115 HA3 GLY 15 2HA GLY 15 -2.083 -11.340 14.206 116 H LEU 16 H LEU 16 0.083 -9.315 15.515 117 HA LEU 16 HA LEU 16 0.033 -10.702 18.051 118 HB2 LEU 16 1HB LEU 16 1.944 -8.959 16.595 119 HB3 LEU 16 2HB LEU 16 2.085 -9.038 18.350 120 HG LEU 16 HG LEU 16 3.621 -10.583 17.237 121 HD11 LEU 16 1HD1 LEU 16 2.146 -12.702 18.309 122 HD12 LEU 16 2HD1 LEU 16 1.670 -11.275 19.230 123 HD13 LEU 16 3HD1 LEU 16 3.372 -11.727 19.120 124 HD21 LEU 16 3HD2 LEU 16 3.043 -11.982 15.590 125 HD22 LEU 16 1HD2 LEU 16 1.593 -10.988 15.447 126 HD23 LEU 16 2HD2 LEU 16 1.554 -12.471 16.400 127 H TRP 17 H TRP 17 -2.212 -9.232 17.965 128 HA TRP 17 HA TRP 17 -2.159 -6.602 18.828 129 HB2 TRP 17 1HB TRP 17 -4.359 -7.308 20.047 130 HB3 TRP 17 2HB TRP 17 -4.282 -7.371 18.289 131 HD1 TRP 17 HD1 TRP 17 -4.114 -9.724 21.344 132 HE1 TRP 17 HE1 TRP 17 -4.844 -12.073 20.588 133 HE3 TRP 17 HE3 TRP 17 -4.574 -8.855 16.327 134 HZ2 TRP 17 HZ2 TRP 17 -5.525 -13.385 18.183 135 HZ3 TRP 17 HZ3 TRP 17 -5.268 -10.710 14.868 136 HH2 TRP 17 HH2 TRP 17 -5.733 -12.928 15.778 137 H ASP 18 H ASP 18 -0.966 -5.835 20.447 138 HA ASP 18 HA ASP 18 0.065 -5.631 22.472 139 HB2 ASP 18 1HB ASP 18 -2.157 -5.113 23.219 140 HB3 ASP 18 2HB ASP 18 -2.590 -6.819 23.287 141 H PHE 19 H PHE 19 1.652 -7.248 21.797 142 HA PHE 19 HA PHE 19 1.666 -9.496 23.661 143 HB2 PHE 19 1HB PHE 19 1.050 -9.868 20.966 144 HB3 PHE 19 2HB PHE 19 2.749 -10.311 21.091 145 HD1 PHE 19 HD1 PHE 19 -0.228 -10.771 23.297 146 HD2 PHE 19 HD2 PHE 19 3.014 -12.581 21.215 147 HE1 PHE 19 HE1 PHE 19 -0.873 -12.965 24.206 148 HE2 PHE 19 HE2 PHE 19 2.374 -14.777 22.120 149 HZ PHE 19 HZ PHE 19 0.428 -14.972 23.617 150 H LYS 20 H LYS 20 3.501 -9.409 24.755 151 HA LYS 20 HA LYS 20 5.959 -8.611 23.355 152 HB2 LYS 20 1HB LYS 20 5.277 -7.722 26.159 153 HB3 LYS 20 2HB LYS 20 6.661 -7.231 25.191 154 HG2 LYS 20 1HG LYS 20 3.801 -6.618 24.483 155 HG3 LYS 20 2HG LYS 20 4.872 -5.520 25.357 156 HD2 LYS 20 1HD LYS 20 6.367 -6.249 23.158 157 HD3 LYS 20 2HD LYS 20 4.730 -6.124 22.510 158 HE2 LYS 20 1HE LYS 20 5.908 -3.995 22.342 159 HE3 LYS 20 2HE LYS 20 4.531 -3.873 23.435 160 HZ1 LYS 20 3HZ LYS 20 7.225 -4.449 24.484 161 HZ2 LYS 20 1HZ LYS 20 5.897 -3.766 25.279 162 HZ3 LYS 20 2HZ LYS 20 6.761 -2.858 24.144 163 H SER 21 H SER 21 7.013 -10.509 23.305 164 HA SER 21 HA SER 21 6.991 -12.263 25.628 165 HB2 SER 21 1HB SER 21 7.477 -12.570 22.775 166 HB3 SER 21 2HB SER 21 8.719 -13.365 23.742 167 HG SER 21 HG SER 21 5.988 -13.705 24.343 168 H ARG 22 H ARG 22 9.334 -13.415 25.816 169 HA ARG 22 HA ARG 22 11.347 -11.284 26.056 170 HB2 ARG 22 1HB ARG 22 10.926 -13.409 28.157 171 HB3 ARG 22 2HB ARG 22 11.966 -11.994 28.250 172 HG2 ARG 22 1HG ARG 22 8.961 -11.903 28.093 173 HG3 ARG 22 2HG ARG 22 9.901 -11.787 29.583 174 HD2 ARG 22 1HD ARG 22 10.580 -9.934 27.364 175 HD3 ARG 22 2HD ARG 22 9.083 -9.640 28.249 176 HE ARG 22 HE ARG 22 11.755 -9.216 29.189 177 HH11 ARG 22 1HH1 ARG 22 8.492 -9.947 30.158 178 HH12 ARG 22 2HH1 ARG 22 8.686 -9.313 31.758 179 HH21 ARG 22 1HH2 ARG 22 12.023 -8.378 31.293 180 HH22 ARG 22 2HH2 ARG 22 10.695 -8.419 32.403 181 H THR 23 H THR 23 10.805 -13.661 24.236 182 HA THR 23 HA THR 23 13.549 -14.646 24.250 183 HB THR 23 HB THR 23 12.339 -16.980 23.643 184 HG1 THR 23 HG1 THR 23 10.575 -15.513 25.256 185 HG21 THR 23 3HG2 THR 23 14.164 -16.543 25.294 186 HG22 THR 23 1HG2 THR 23 13.000 -17.760 25.815 187 HG23 THR 23 2HG2 THR 23 12.925 -16.127 26.478 188 H ASP 24 H ASP 24 14.164 -15.671 22.234 189 HA ASP 24 HA ASP 24 13.252 -14.288 19.973 190 HB2 ASP 24 1HB ASP 24 14.753 -15.633 18.707 191 HB3 ASP 24 2HB ASP 24 15.506 -15.406 20.284 192 H GLU 25 H GLU 25 12.028 -17.073 21.539 193 HA GLU 25 HA GLU 25 10.824 -18.414 19.385 194 HB2 GLU 25 1HB GLU 25 9.247 -19.293 21.165 195 HB3 GLU 25 2HB GLU 25 10.961 -19.567 21.449 196 HG2 GLU 25 1HG GLU 25 10.922 -18.429 23.350 197 HG3 GLU 25 2HG GLU 25 10.076 -17.072 22.608 198 H GLU 26 H GLU 26 10.097 -15.420 20.843 199 HA GLU 26 HA GLU 26 7.734 -15.157 19.156 200 HB2 GLU 26 1HB GLU 26 7.732 -15.022 22.140 201 HB3 GLU 26 2HB GLU 26 6.675 -13.938 21.246 202 HG2 GLU 26 1HG GLU 26 6.163 -16.325 20.042 203 HG3 GLU 26 2HG GLU 26 6.466 -16.815 21.708 204 H LEU 27 H LEU 27 7.068 -12.929 18.856 205 HA LEU 27 HA LEU 27 9.362 -11.137 18.925 206 HB2 LEU 27 1HB LEU 27 6.662 -10.679 17.673 207 HB3 LEU 27 2HB LEU 27 8.142 -9.768 17.379 208 HG LEU 27 HG LEU 27 8.854 -12.328 16.672 209 HD11 LEU 27 1HD1 LEU 27 6.844 -13.404 16.597 210 HD12 LEU 27 2HD1 LEU 27 6.878 -12.724 14.970 211 HD13 LEU 27 3HD1 LEU 27 5.941 -11.932 16.237 212 HD21 LEU 27 3HD2 LEU 27 9.584 -10.964 15.070 213 HD22 LEU 27 1HD2 LEU 27 8.317 -9.781 15.395 214 HD23 LEU 27 2HD2 LEU 27 7.997 -11.143 14.321 215 H SER 28 H SER 28 9.161 -8.927 19.635 216 HA SER 28 HA SER 28 7.157 -8.599 21.772 217 HB2 SER 28 1HB SER 28 9.019 -6.966 22.678 218 HB3 SER 28 2HB SER 28 9.130 -8.700 22.979 219 HG SER 28 HG SER 28 11.101 -7.901 22.202 220 H PHE 29 H PHE 29 5.701 -7.552 20.366 221 HA PHE 29 HA PHE 29 6.227 -4.725 20.069 222 HB2 PHE 29 1HB PHE 29 6.161 -6.584 17.764 223 HB3 PHE 29 2HB PHE 29 5.231 -5.099 17.585 224 HD1 PHE 29 HD1 PHE 29 6.358 -2.914 17.683 225 HD2 PHE 29 HD2 PHE 29 8.538 -6.569 17.749 226 HE1 PHE 29 HE1 PHE 29 8.415 -1.694 17.105 227 HE2 PHE 29 HE2 PHE 29 10.598 -5.355 17.172 228 HZ PHE 29 HZ PHE 29 10.539 -2.914 16.850 229 H ARG 30 H ARG 30 4.267 -3.540 19.340 230 HA ARG 30 HA ARG 30 1.902 -4.787 20.511 231 HB2 ARG 30 1HB ARG 30 0.971 -2.552 20.600 232 HB3 ARG 30 2HB ARG 30 2.595 -2.539 21.277 233 HG2 ARG 30 1HG ARG 30 3.405 -1.728 19.038 234 HG3 ARG 30 2HG ARG 30 1.710 -1.519 18.593 235 HD2 ARG 30 1HD ARG 30 1.545 -0.141 20.769 236 HD3 ARG 30 2HD ARG 30 3.305 -0.080 20.682 237 HE ARG 30 HE ARG 30 3.120 1.449 18.998 238 HH11 ARG 30 1HH1 ARG 30 0.090 -0.235 19.320 239 HH12 ARG 30 2HH1 ARG 30 -0.739 0.770 18.178 240 HH21 ARG 30 1HH2 ARG 30 2.039 2.780 17.494 241 HH22 ARG 30 2HH2 ARG 30 0.371 2.484 17.139 242 H ALA 31 H ALA 31 -0.236 -4.201 19.449 243 HA ALA 31 HA ALA 31 -0.485 -5.428 16.997 244 HB1 ALA 31 1HB ALA 31 -2.636 -5.198 17.485 245 HB2 ALA 31 2HB ALA 31 -2.203 -4.120 18.813 246 HB3 ALA 31 3HB ALA 31 -2.538 -3.458 17.213 247 H GLY 32 H GLY 32 -1.025 -4.598 14.882 248 HA2 GLY 32 1HA GLY 32 -1.031 -2.940 13.206 249 HA3 GLY 32 2HA GLY 32 -0.244 -1.838 14.326 250 H ASP 33 H ASP 33 1.729 -3.995 15.025 251 HA ASP 33 HA ASP 33 3.746 -3.239 13.195 252 HB2 ASP 33 1HB ASP 33 3.545 -5.135 15.484 253 HB3 ASP 33 2HB ASP 33 4.892 -5.341 14.367 254 H VAL 34 H VAL 34 4.494 -4.164 11.376 255 HA VAL 34 HA VAL 34 3.072 -6.539 10.399 256 HB VAL 34 HB VAL 34 4.033 -5.887 8.169 257 HG11 VAL 34 1HG1 VAL 34 1.746 -5.188 9.218 258 HG12 VAL 34 2HG1 VAL 34 2.465 -3.576 9.224 259 HG13 VAL 34 3HG1 VAL 34 2.287 -4.459 7.707 260 HG21 VAL 34 3HG2 VAL 34 5.830 -4.442 9.408 261 HG22 VAL 34 1HG2 VAL 34 5.208 -3.936 7.837 262 HG23 VAL 34 2HG2 VAL 34 4.594 -3.187 9.310 263 H PHE 35 H PHE 35 4.234 -8.220 9.321 264 HA PHE 35 HA PHE 35 7.118 -8.323 9.725 265 HB2 PHE 35 1HB PHE 35 5.382 -10.579 10.724 266 HB3 PHE 35 2HB PHE 35 7.112 -10.356 10.965 267 HD1 PHE 35 HD2 PHE 35 3.769 -9.176 11.943 268 HD2 PHE 35 HD1 PHE 35 7.950 -8.986 12.717 269 HE1 PHE 35 HE2 PHE 35 3.318 -8.041 14.079 270 HE2 PHE 35 HE1 PHE 35 7.506 -7.852 14.855 271 HZ PHE 35 HZ PHE 35 5.188 -7.377 15.538 272 H HIS 36 H HIS 36 8.075 -10.290 8.689 273 HA HIS 36 HA HIS 36 6.480 -11.100 6.347 274 HB2 HIS 36 1HB HIS 36 9.400 -10.388 6.560 275 HB3 HIS 36 2HB HIS 36 8.767 -11.325 5.210 276 HD1 HIS 36 HD1 HIS 36 8.604 -9.809 3.271 277 HD2 HIS 36 HD2 HIS 36 7.395 -7.950 6.784 278 HE1 HIS 36 HE1 HIS 36 7.824 -7.518 2.586 279 H VAL 37 H VAL 37 6.296 -13.223 5.945 280 HA VAL 37 HA VAL 37 7.375 -15.088 7.865 281 HB VAL 37 HB VAL 37 6.103 -16.793 6.590 282 HG11 VAL 37 1HG1 VAL 37 3.825 -15.753 7.013 283 HG12 VAL 37 2HG1 VAL 37 4.940 -15.795 8.380 284 HG13 VAL 37 3HG1 VAL 37 4.693 -14.294 7.486 285 HG21 VAL 37 3HG2 VAL 37 6.026 -14.641 4.635 286 HG22 VAL 37 1HG2 VAL 37 5.750 -16.370 4.426 287 HG23 VAL 37 2HG2 VAL 37 4.432 -15.325 4.957 288 H ALA 38 H ALA 38 9.197 -16.200 7.655 289 HA ALA 38 HA ALA 38 10.521 -16.251 5.035 290 HB1 ALA 38 1HB ALA 38 12.574 -16.741 6.270 291 HB2 ALA 38 2HB ALA 38 11.810 -15.260 6.850 292 HB3 ALA 38 3HB ALA 38 11.663 -16.750 7.781 293 H ARG 39 H ARG 39 9.100 -18.271 7.465 294 HA ARG 39 HA ARG 39 9.382 -20.576 5.724 295 HB2 ARG 39 1HB ARG 39 10.772 -20.300 8.337 296 HB3 ARG 39 2HB ARG 39 10.027 -21.854 7.985 297 HG2 ARG 39 1HG ARG 39 11.971 -20.480 6.146 298 HG3 ARG 39 2HG ARG 39 12.435 -21.674 7.361 299 HD2 ARG 39 1HD ARG 39 11.454 -23.410 6.228 300 HD3 ARG 39 2HD ARG 39 10.271 -22.367 5.439 301 HE ARG 39 HE ARG 39 12.886 -21.777 4.526 302 HH11 ARG 39 1HH1 ARG 39 10.346 -24.142 4.249 303 HH12 ARG 39 2HH1 ARG 39 10.811 -24.647 2.658 304 HH21 ARG 39 1HH2 ARG 39 13.508 -22.433 2.432 305 HH22 ARG 39 2HH2 ARG 39 12.611 -23.674 1.626 306 H LYS 40 H LYS 40 7.477 -21.550 5.628 307 HA LYS 40 HA LYS 40 5.595 -21.185 7.860 308 HB2 LYS 40 1HB LYS 40 3.869 -21.854 6.112 309 HB3 LYS 40 2HB LYS 40 4.641 -20.288 5.895 310 HG2 LYS 40 1HG LYS 40 6.146 -21.265 4.231 311 HG3 LYS 40 2HG LYS 40 5.354 -22.828 4.442 312 HD2 LYS 40 1HD LYS 40 4.268 -21.997 2.581 313 HD3 LYS 40 2HD LYS 40 3.186 -21.494 3.881 314 HE2 LYS 40 1HE LYS 40 4.502 -19.307 3.895 315 HE3 LYS 40 2HE LYS 40 5.176 -19.839 2.355 316 HZ1 LYS 40 3HZ LYS 40 3.255 -18.415 2.031 317 HZ2 LYS 40 1HZ LYS 40 2.288 -19.465 2.941 318 HZ3 LYS 40 2HZ LYS 40 2.933 -19.976 1.463 319 H GLU 41 H GLU 41 5.341 -22.874 9.151 320 HA GLU 41 HA GLU 41 5.789 -25.569 8.054 321 HB2 GLU 41 1HB GLU 41 6.707 -24.281 10.449 322 HB3 GLU 41 2HB GLU 41 5.718 -25.670 10.878 323 HG2 GLU 41 1HG GLU 41 7.843 -26.561 10.750 324 HG3 GLU 41 2HG GLU 41 7.156 -26.951 9.175 325 H GLU 42 H GLU 42 4.543 -27.286 9.401 326 HA GLU 42 HA GLU 42 1.762 -26.751 9.032 327 HB2 GLU 42 1HB GLU 42 1.401 -29.033 9.580 328 HB3 GLU 42 2HB GLU 42 2.904 -28.976 8.670 329 HG2 GLU 42 1HG GLU 42 4.180 -29.134 10.732 330 HG3 GLU 42 2HG GLU 42 2.686 -29.146 11.667 331 H GLN 43 H GLN 43 3.905 -26.243 11.593 332 HA GLN 43 HA GLN 43 1.717 -26.214 13.560 333 HB2 GLN 43 1HB GLN 43 4.658 -26.659 13.775 334 HB3 GLN 43 2HB GLN 43 3.829 -25.914 15.136 335 HG2 GLN 43 1HG GLN 43 2.395 -28.228 14.189 336 HG3 GLN 43 2HG GLN 43 4.065 -28.627 14.588 337 HE21 GLN 43 2HE2 GLN 43 4.083 -29.511 16.525 338 HE22 GLN 43 1HE2 GLN 43 3.261 -28.915 17.923 339 H TRP 44 H TRP 44 4.789 -24.438 13.345 340 HA TRP 44 HA TRP 44 3.259 -21.926 13.462 341 HB2 TRP 44 1HB TRP 44 5.032 -21.015 14.965 342 HB3 TRP 44 2HB TRP 44 4.095 -22.318 15.691 343 HD1 TRP 44 HD1 TRP 44 7.429 -22.082 13.693 344 HE1 TRP 44 HE1 TRP 44 9.121 -23.671 14.805 345 HE3 TRP 44 HE3 TRP 44 4.453 -23.976 17.393 346 HZ2 TRP 44 HZ2 TRP 44 9.186 -25.487 16.965 347 HZ3 TRP 44 HZ3 TRP 44 5.406 -25.635 18.940 348 HH2 TRP 44 HH2 TRP 44 7.724 -26.374 18.729 349 H TRP 45 H TRP 45 4.431 -20.041 12.680 350 HA TRP 45 HA TRP 45 6.454 -20.772 10.665 351 HB2 TRP 45 1HB TRP 45 5.526 -18.469 9.671 352 HB3 TRP 45 2HB TRP 45 4.782 -20.022 9.302 353 HD1 TRP 45 HD1 TRP 45 4.328 -17.484 12.222 354 HE1 TRP 45 HE1 TRP 45 1.801 -17.137 12.569 355 HE3 TRP 45 HE3 TRP 45 2.572 -20.575 8.548 356 HZ2 TRP 45 HZ2 TRP 45 -0.616 -18.053 11.436 357 HZ3 TRP 45 HZ3 TRP 45 0.139 -20.784 8.245 358 HH2 TRP 45 HH2 TRP 45 -1.420 -19.548 9.661 359 H TRP 46 H TRP 46 8.140 -19.267 10.246 360 HA TRP 46 HA TRP 46 8.919 -17.780 12.621 361 HB2 TRP 46 1HB TRP 46 10.317 -18.840 10.217 362 HB3 TRP 46 2HB TRP 46 11.013 -17.424 11.000 363 HD1 TRP 46 HD1 TRP 46 9.685 -20.871 12.235 364 HE1 TRP 46 HE1 TRP 46 11.336 -21.759 13.998 365 HE3 TRP 46 HE3 TRP 46 13.007 -16.985 12.265 366 HZ2 TRP 46 HZ2 TRP 46 13.730 -20.922 15.239 367 HZ3 TRP 46 HZ3 TRP 46 14.950 -17.107 13.769 368 HH2 TRP 46 HH2 TRP 46 15.302 -19.035 15.225 369 H ALA 47 H ALA 47 8.223 -15.756 12.802 370 HA ALA 47 HA ALA 47 7.852 -14.135 10.390 371 HB1 ALA 47 1HB ALA 47 6.202 -14.459 12.493 372 HB2 ALA 47 2HB ALA 47 7.085 -13.021 13.007 373 HB3 ALA 47 3HB ALA 47 6.218 -13.020 11.472 374 H THR 48 H THR 48 8.938 -12.250 10.020 375 HA THR 48 HA THR 48 10.959 -11.432 11.995 376 HB THR 48 HB THR 48 11.457 -11.588 9.017 377 HG1 THR 48 HG1 THR 48 11.367 -13.636 10.314 378 HG21 THR 48 3HG2 THR 48 12.638 -9.807 10.427 379 HG22 THR 48 1HG2 THR 48 13.654 -10.876 9.461 380 HG23 THR 48 2HG2 THR 48 13.484 -11.151 11.194 381 H LEU 49 H LEU 49 10.692 -9.377 12.538 382 HA LEU 49 HA LEU 49 9.013 -7.634 10.979 383 HB2 LEU 49 1HB LEU 49 9.391 -7.830 13.595 384 HB3 LEU 49 2HB LEU 49 10.630 -6.623 13.259 385 HG LEU 49 HG LEU 49 7.692 -6.337 12.633 386 HD11 LEU 49 1HD1 LEU 49 8.715 -6.258 15.096 387 HD12 LEU 49 2HD1 LEU 49 7.407 -5.201 14.569 388 HD13 LEU 49 3HD1 LEU 49 9.066 -4.604 14.595 389 HD21 LEU 49 3HD2 LEU 49 10.092 -4.778 11.935 390 HD22 LEU 49 1HD2 LEU 49 8.721 -3.850 12.543 391 HD23 LEU 49 2HD2 LEU 49 8.528 -4.883 11.127 392 H LEU 50 H LEU 50 9.745 -6.560 9.276 393 HA LEU 50 HA LEU 50 12.572 -5.760 9.205 394 HB2 LEU 50 1HB LEU 50 10.894 -5.514 6.786 395 HB3 LEU 50 2HB LEU 50 12.570 -6.033 6.955 396 HG LEU 50 HG LEU 50 10.134 -7.716 7.542 397 HD11 LEU 50 1HD1 LEU 50 10.702 -8.938 5.555 398 HD12 LEU 50 2HD1 LEU 50 12.131 -7.938 5.296 399 HD13 LEU 50 3HD1 LEU 50 10.522 -7.233 5.141 400 HD21 LEU 50 3HD2 LEU 50 13.000 -8.613 7.409 401 HD22 LEU 50 1HD2 LEU 50 11.598 -9.503 8.001 402 HD23 LEU 50 2HD2 LEU 50 12.224 -8.134 8.919 403 H ASP 51 H ASP 51 13.122 -3.659 8.385 404 HA ASP 51 HA ASP 51 11.423 -1.603 9.425 405 HB2 ASP 51 1HB ASP 51 14.088 -1.784 9.144 406 HB3 ASP 51 2HB ASP 51 13.714 -0.883 7.677 407 H GLU 52 H GLU 52 11.346 0.492 7.901 408 HA GLU 52 HA GLU 52 9.370 -0.006 5.997 409 HB2 GLU 52 1HB GLU 52 9.585 2.316 5.366 410 HB3 GLU 52 2HB GLU 52 9.743 2.177 7.111 411 HG2 GLU 52 1HG GLU 52 12.244 2.198 6.756 412 HG3 GLU 52 2HG GLU 52 11.907 2.668 5.090 413 H ALA 53 H ALA 53 12.802 -0.152 5.749 414 HA ALA 53 HA ALA 53 12.937 0.140 2.897 415 HB1 ALA 53 1HB ALA 53 15.063 -1.168 4.551 416 HB2 ALA 53 2HB ALA 53 15.230 -0.178 3.101 417 HB3 ALA 53 3HB ALA 53 14.792 0.572 4.635 418 H GLY 54 H GLY 54 12.150 -2.402 5.044 419 HA2 GLY 54 1HA GLY 54 11.256 -4.474 4.425 420 HA3 GLY 54 2HA GLY 54 11.873 -4.229 2.798 421 H GLY 55 H GLY 55 14.105 -3.665 5.335 422 HA2 GLY 55 1HA GLY 55 15.737 -5.866 4.446 423 HA3 GLY 55 2HA GLY 55 16.149 -4.695 5.690 424 H ALA 56 H ALA 56 15.766 -5.165 7.821 425 HA ALA 56 HA ALA 56 14.075 -7.179 8.785 426 HB1 ALA 56 1HB ALA 56 15.930 -8.790 9.504 427 HB2 ALA 56 2HB ALA 56 15.396 -8.851 7.824 428 HB3 ALA 56 3HB ALA 56 16.900 -8.030 8.242 429 H VAL 57 H VAL 57 14.160 -7.396 11.062 430 HA VAL 57 HA VAL 57 16.100 -5.696 12.461 431 HB VAL 57 HB VAL 57 13.148 -5.611 13.079 432 HG11 VAL 57 1HG1 VAL 57 14.002 -4.843 15.011 433 HG12 VAL 57 2HG1 VAL 57 15.578 -4.499 14.297 434 HG13 VAL 57 3HG1 VAL 57 14.251 -3.354 14.100 435 HG21 VAL 57 3HG2 VAL 57 13.580 -4.640 10.866 436 HG22 VAL 57 1HG2 VAL 57 13.105 -3.412 12.039 437 HG23 VAL 57 2HG2 VAL 57 14.798 -3.580 11.575 438 H ALA 58 H ALA 58 13.175 -7.530 13.348 439 HA ALA 58 HA ALA 58 14.845 -9.104 15.201 440 HB1 ALA 58 1HB ALA 58 11.946 -8.765 15.746 441 HB2 ALA 58 2HB ALA 58 13.298 -8.937 16.866 442 HB3 ALA 58 3HB ALA 58 13.013 -7.396 16.057 443 H GLN 59 H GLN 59 14.051 -11.280 15.668 444 HA GLN 59 HA GLN 59 12.373 -12.412 13.538 445 HB2 GLN 59 1HB GLN 59 14.954 -13.632 14.533 446 HB3 GLN 59 2HB GLN 59 13.885 -14.313 13.314 447 HG2 GLN 59 1HG GLN 59 14.517 -12.793 11.711 448 HG3 GLN 59 2HG GLN 59 15.034 -11.596 12.897 449 HE21 GLN 59 2HE2 GLN 59 15.838 -14.772 11.580 450 HE22 GLN 59 1HE2 GLN 59 17.547 -14.625 11.793 451 H GLY 60 H GLY 60 10.822 -13.730 14.259 452 HA2 GLY 60 1HA GLY 60 11.137 -15.441 16.520 453 HA3 GLY 60 2HA GLY 60 10.172 -14.029 16.924 454 H TYR 61 H TYR 61 9.886 -17.139 16.157 455 HA TYR 61 HA TYR 61 7.874 -17.104 14.138 456 HB2 TYR 61 1HB TYR 61 7.692 -19.425 14.481 457 HB3 TYR 61 2HB TYR 61 9.379 -19.065 14.829 458 HD1 TYR 61 HD1 TYR 61 6.142 -20.007 16.283 459 HD2 TYR 61 HD2 TYR 61 10.259 -19.272 17.068 460 HE1 TYR 61 HE1 TYR 61 5.903 -21.059 18.494 461 HE2 TYR 61 HE2 TYR 61 10.031 -20.323 19.280 462 HH TYR 61 HH TYR 61 6.996 -21.830 20.295 463 H VAL 62 H VAL 62 5.636 -17.609 14.395 464 HA VAL 62 HA VAL 62 4.518 -17.128 17.066 465 HB VAL 62 HB VAL 62 2.716 -15.725 15.942 466 HG11 VAL 62 1HG1 VAL 62 4.017 -14.446 17.308 467 HG12 VAL 62 2HG1 VAL 62 5.516 -14.906 16.497 468 HG13 VAL 62 3HG1 VAL 62 4.438 -13.721 15.757 469 HG21 VAL 62 3HG2 VAL 62 3.186 -16.283 13.636 470 HG22 VAL 62 1HG2 VAL 62 3.409 -14.551 13.883 471 HG23 VAL 62 2HG2 VAL 62 4.812 -15.615 13.775 472 HA PRO 63 HA PRO 63 1.868 -20.495 16.078 473 HB2 PRO 63 1HB PRO 63 -0.225 -19.934 17.714 474 HB3 PRO 63 2HB PRO 63 1.326 -20.538 18.310 475 HG2 PRO 63 1HG PRO 63 0.284 -17.732 18.246 476 HG3 PRO 63 2HG PRO 63 1.155 -18.572 19.541 477 HD2 PRO 63 1HD PRO 63 2.371 -16.836 17.856 478 HD3 PRO 63 2HD PRO 63 3.208 -18.241 18.547 479 H HIS 64 H HIS 64 -0.007 -21.038 14.933 480 HA HIS 64 HA HIS 64 -0.959 -19.035 13.134 481 HB2 HIS 64 1HB HIS 64 -2.245 -20.807 12.116 482 HB3 HIS 64 2HB HIS 64 -0.647 -21.432 12.513 483 HD1 HIS 64 HD1 HIS 64 -4.132 -22.236 12.825 484 HD2 HIS 64 HD2 HIS 64 -0.721 -22.941 15.090 485 HE1 HIS 64 HE1 HIS 64 -4.721 -24.146 14.350 486 H ASN 65 H ASN 65 -1.826 -19.848 16.255 487 HA ASN 65 HA ASN 65 -4.653 -19.228 15.949 488 HB2 ASN 65 1HB ASN 65 -4.961 -20.075 18.069 489 HB3 ASN 65 2HB ASN 65 -3.518 -20.964 17.590 490 HD21 ASN 65 2HD2 ASN 65 -4.846 -18.586 19.682 491 HD22 ASN 65 1HD2 ASN 65 -3.436 -18.333 20.649 492 H TYR 66 H TYR 66 -2.000 -17.412 15.939 493 HA TYR 66 HA TYR 66 -3.348 -15.175 17.289 494 HB2 TYR 66 1HB TYR 66 -1.122 -16.349 18.331 495 HB3 TYR 66 2HB TYR 66 -0.400 -15.100 17.323 496 HD1 TYR 66 HD1 TYR 66 -0.779 -12.735 17.809 497 HD2 TYR 66 HD2 TYR 66 -2.415 -15.778 20.291 498 HE1 TYR 66 HE1 TYR 66 -1.218 -11.063 19.558 499 HE2 TYR 66 HE2 TYR 66 -2.860 -14.115 22.047 500 HH TYR 66 HH TYR 66 -2.111 -10.678 21.555 501 H LEU 67 H LEU 67 -1.032 -16.234 14.853 502 HA LEU 67 HA LEU 67 -1.031 -13.598 13.608 503 HB2 LEU 67 1HB LEU 67 0.944 -15.382 13.903 504 HB3 LEU 67 2HB LEU 67 0.339 -15.886 12.326 505 HG LEU 67 HG LEU 67 2.251 -14.339 12.176 506 HD11 LEU 67 1HD1 LEU 67 -0.035 -14.354 10.686 507 HD12 LEU 67 2HD1 LEU 67 1.442 -13.483 10.275 508 HD13 LEU 67 3HD1 LEU 67 0.126 -12.646 11.097 509 HD21 LEU 67 3HD2 LEU 67 0.983 -12.994 14.237 510 HD22 LEU 67 1HD2 LEU 67 0.764 -11.941 12.840 511 HD23 LEU 67 2HD2 LEU 67 2.386 -12.436 13.325 512 H ALA 68 H ALA 68 -1.919 -13.134 11.637 513 HA ALA 68 HA ALA 68 -3.157 -15.251 10.072 514 HB1 ALA 68 1HB ALA 68 -5.356 -14.378 10.117 515 HB2 ALA 68 2HB ALA 68 -4.832 -14.488 11.798 516 HB3 ALA 68 3HB ALA 68 -4.839 -12.927 10.977 517 H GLU 69 H GLU 69 -3.049 -14.842 7.944 518 HA GLU 69 HA GLU 69 -1.567 -12.695 6.942 519 HB2 GLU 69 1HB GLU 69 -2.069 -13.518 4.775 520 HB3 GLU 69 2HB GLU 69 -1.989 -14.925 5.825 521 HG2 GLU 69 1HG GLU 69 -4.452 -14.910 5.975 522 HG3 GLU 69 2HG GLU 69 -4.484 -13.569 4.832 523 H ARG 70 H ARG 70 -2.074 -10.721 6.156 524 HA ARG 70 HA ARG 70 -4.853 -9.842 6.501 525 HB2 ARG 70 1HB ARG 70 -2.221 -8.385 6.499 526 HB3 ARG 70 2HB ARG 70 -3.741 -7.525 6.299 527 HG2 ARG 70 1HG ARG 70 -3.333 -9.374 8.613 528 HG3 ARG 70 2HG ARG 70 -2.711 -7.723 8.651 529 HD2 ARG 70 1HD ARG 70 -5.571 -8.325 7.962 530 HD3 ARG 70 2HD ARG 70 -5.037 -8.147 9.633 531 HE ARG 70 HE ARG 70 -4.247 -5.952 7.973 532 HH11 ARG 70 1HH1 ARG 70 -6.856 -7.289 9.851 533 HH12 ARG 70 2HH1 ARG 70 -7.607 -5.755 10.140 534 HH21 ARG 70 1HH2 ARG 70 -5.227 -3.927 8.347 535 HH22 ARG 70 2HH2 ARG 70 -6.680 -3.843 9.283 536 H GLU 71 H GLU 71 -4.202 -11.352 4.206 537 HA GLU 71 HA GLU 71 -3.516 -9.960 1.924 538 HB2 GLU 71 1HB GLU 71 -5.317 -12.297 2.433 539 HB3 GLU 71 2HB GLU 71 -5.240 -11.603 0.819 540 HG2 GLU 71 1HG GLU 71 -2.695 -11.873 1.054 541 HG3 GLU 71 2HG GLU 71 -3.085 -12.959 2.386 542 H THR 72 H THR 72 -4.750 -8.964 0.262 543 HA THR 72 HA THR 72 -6.599 -7.058 1.154 544 HB THR 72 HB THR 72 -6.613 -7.860 -1.720 545 HG1 THR 72 HG1 THR 72 -4.575 -7.028 -2.036 546 HG21 THR 72 3HG2 THR 72 -6.184 -5.124 -0.571 547 HG22 THR 72 1HG2 THR 72 -7.796 -5.836 -0.620 548 HG23 THR 72 2HG2 THR 72 -6.898 -5.581 -2.117 Start of MODEL 20 1 H1 MET 1 H MET 1 -2.505 2.297 -11.740 2 HA MET 1 HA MET 1 -1.123 3.545 -13.873 3 HB2 MET 1 1HB MET 1 -3.079 5.242 -12.321 4 HB3 MET 1 2HB MET 1 -1.741 5.913 -13.243 5 HG2 MET 1 1HG MET 1 -2.677 4.766 -15.261 6 HG3 MET 1 2HG MET 1 -4.090 4.360 -14.290 7 HE1 MET 1 3HE MET 1 -4.142 5.884 -17.034 8 HE2 MET 1 1HE MET 1 -4.245 7.644 -16.962 9 HE3 MET 1 2HE MET 1 -2.685 6.844 -16.770 10 H VAL 2 H VAL 2 0.759 4.582 -13.189 11 HA VAL 2 HA VAL 2 2.604 4.622 -11.813 12 HB VAL 2 HB VAL 2 1.456 6.780 -11.387 13 HG11 VAL 2 1HG1 VAL 2 0.251 7.033 -9.220 14 HG12 VAL 2 2HG1 VAL 2 -0.596 6.030 -10.399 15 HG13 VAL 2 3HG1 VAL 2 0.270 5.277 -9.059 16 HG21 VAL 2 3HG2 VAL 2 3.087 7.354 -9.963 17 HG22 VAL 2 1HG2 VAL 2 2.527 6.229 -8.726 18 HG23 VAL 2 2HG2 VAL 2 3.560 5.657 -10.036 19 H SER 3 H SER 3 1.220 2.175 -11.546 20 HA SER 3 HA SER 3 0.618 1.415 -8.931 21 HB2 SER 3 1HB SER 3 1.961 -0.502 -10.807 22 HB3 SER 3 2HB SER 3 0.612 -0.780 -9.705 23 HG SER 3 HG SER 3 -0.586 0.692 -11.141 24 H ARG 4 H ARG 4 1.996 2.026 -7.342 25 HA ARG 4 HA ARG 4 4.845 1.727 -7.589 26 HB2 ARG 4 1HB ARG 4 4.975 2.673 -5.398 27 HB3 ARG 4 2HB ARG 4 3.724 3.546 -6.272 28 HG2 ARG 4 1HG ARG 4 2.005 2.259 -5.129 29 HG3 ARG 4 2HG ARG 4 3.248 1.343 -4.275 30 HD2 ARG 4 1HD ARG 4 2.355 3.091 -2.848 31 HD3 ARG 4 2HD ARG 4 4.044 3.417 -3.235 32 HE ARG 4 HE ARG 4 3.391 5.323 -4.319 33 HH11 ARG 4 1HH1 ARG 4 0.613 3.284 -3.824 34 HH12 ARG 4 2HH1 ARG 4 -0.522 4.476 -4.364 35 HH21 ARG 4 1HH2 ARG 4 1.906 6.901 -5.033 36 HH22 ARG 4 2HH2 ARG 4 0.215 6.533 -5.052 37 H ASP 5 H ASP 5 2.211 -0.150 -6.347 38 HA ASP 5 HA ASP 5 3.439 -1.785 -4.492 39 HB2 ASP 5 1HB ASP 5 1.200 -2.212 -6.436 40 HB3 ASP 5 2HB ASP 5 1.792 -3.571 -5.485 41 H GLN 6 H GLN 6 4.539 -3.745 -4.577 42 HA GLN 6 HA GLN 6 6.520 -4.039 -6.477 43 HB2 GLN 6 1HB GLN 6 6.184 -5.160 -4.136 44 HB3 GLN 6 2HB GLN 6 5.436 -6.450 -5.067 45 HG2 GLN 6 1HG GLN 6 7.770 -6.931 -4.635 46 HG3 GLN 6 2HG GLN 6 7.482 -6.716 -6.361 47 HE21 GLN 6 2HE2 GLN 6 8.558 -4.989 -3.471 48 HE22 GLN 6 1HE2 GLN 6 9.686 -3.966 -4.286 49 H ALA 7 H ALA 7 6.874 -5.844 -7.999 50 HA ALA 7 HA ALA 7 4.604 -6.095 -9.765 51 HB1 ALA 7 1HB ALA 7 7.391 -7.211 -10.053 52 HB2 ALA 7 2HB ALA 7 6.165 -7.113 -11.318 53 HB3 ALA 7 3HB ALA 7 6.854 -5.637 -10.640 54 H HIS 8 H HIS 8 6.741 -8.350 -8.024 55 HA HIS 8 HA HIS 8 4.541 -10.292 -8.000 56 HB2 HIS 8 1HB HIS 8 7.415 -10.911 -8.715 57 HB3 HIS 8 2HB HIS 8 6.167 -12.121 -8.433 58 HD1 HIS 8 HD1 HIS 8 4.278 -12.307 -10.239 59 HD2 HIS 8 HD2 HIS 8 7.374 -9.714 -11.212 60 HE1 HIS 8 HE1 HIS 8 4.029 -11.857 -12.701 61 H LEU 9 H LEU 9 4.074 -10.751 -5.963 62 HA LEU 9 HA LEU 9 5.967 -11.683 -4.096 63 HB2 LEU 9 1HB LEU 9 6.268 -9.933 -2.627 64 HB3 LEU 9 2HB LEU 9 6.361 -9.132 -4.194 65 HG LEU 9 HG LEU 9 3.995 -9.130 -2.321 66 HD11 LEU 9 1HD1 LEU 9 6.332 -7.526 -2.433 67 HD12 LEU 9 2HD1 LEU 9 4.917 -7.342 -1.396 68 HD13 LEU 9 3HD1 LEU 9 4.967 -6.546 -2.968 69 HD21 LEU 9 3HD2 LEU 9 2.881 -8.887 -4.273 70 HD22 LEU 9 1HD2 LEU 9 4.316 -8.364 -5.155 71 HD23 LEU 9 2HD2 LEU 9 3.449 -7.223 -4.127 72 H GLY 10 H GLY 10 4.993 -12.137 -1.970 73 HA2 GLY 10 1HA GLY 10 2.133 -12.694 -2.298 74 HA3 GLY 10 2HA GLY 10 3.210 -13.469 -1.146 75 HA PRO 11 HA PRO 11 0.688 -9.899 0.747 76 HB2 PRO 11 1HB PRO 11 -1.136 -11.378 2.109 77 HB3 PRO 11 2HB PRO 11 -1.406 -10.800 0.460 78 HG2 PRO 11 1HG PRO 11 -0.516 -13.500 1.399 79 HG3 PRO 11 2HG PRO 11 -1.694 -13.085 0.141 80 HD2 PRO 11 1HD PRO 11 0.848 -13.821 -0.430 81 HD3 PRO 11 2HD PRO 11 -0.060 -12.669 -1.430 82 H LYS 12 H LYS 12 1.045 -9.210 2.826 83 HA LYS 12 HA LYS 12 2.822 -10.861 4.432 84 HB2 LYS 12 1HB LYS 12 3.545 -8.920 5.437 85 HB3 LYS 12 2HB LYS 12 3.048 -8.302 3.867 86 HG2 LYS 12 1HG LYS 12 1.422 -8.207 6.400 87 HG3 LYS 12 2HG LYS 12 2.286 -6.856 5.663 88 HD2 LYS 12 1HD LYS 12 0.074 -8.406 4.319 89 HD3 LYS 12 2HD LYS 12 -0.153 -6.877 5.170 90 HE2 LYS 12 1HE LYS 12 1.421 -5.800 3.625 91 HE3 LYS 12 2HE LYS 12 1.619 -7.329 2.769 92 HZ1 LYS 12 3HZ LYS 12 -0.155 -5.449 2.091 93 HZ2 LYS 12 1HZ LYS 12 -1.118 -6.436 3.071 94 HZ3 LYS 12 2HZ LYS 12 -0.334 -7.090 1.723 95 H TYR 13 H TYR 13 2.507 -10.786 6.856 96 HA TYR 13 HA TYR 13 -0.347 -11.175 7.479 97 HB2 TYR 13 1HB TYR 13 2.108 -12.647 8.395 98 HB3 TYR 13 2HB TYR 13 0.628 -12.680 9.348 99 HD1 TYR 13 HD1 TYR 13 1.514 -13.028 5.725 100 HD2 TYR 13 HD2 TYR 13 -0.629 -14.581 9.056 101 HE1 TYR 13 HE1 TYR 13 0.655 -14.850 4.315 102 HE2 TYR 13 HE2 TYR 13 -1.493 -16.409 7.655 103 HH TYR 13 HH TYR 13 -0.435 -16.816 4.308 104 H VAL 14 H VAL 14 -1.197 -10.230 9.273 105 HA VAL 14 HA VAL 14 0.622 -8.616 10.938 106 HB VAL 14 HB VAL 14 -0.909 -7.377 9.211 107 HG11 VAL 14 1HG1 VAL 14 -3.120 -7.092 9.694 108 HG12 VAL 14 2HG1 VAL 14 -2.900 -8.726 10.322 109 HG13 VAL 14 3HG1 VAL 14 -2.891 -7.348 11.424 110 HG21 VAL 14 3HG2 VAL 14 -1.365 -5.664 11.222 111 HG22 VAL 14 1HG2 VAL 14 -0.197 -6.728 12.005 112 HG23 VAL 14 2HG2 VAL 14 0.228 -5.904 10.505 113 H GLY 15 H GLY 15 0.005 -8.309 13.115 114 HA2 GLY 15 1HA GLY 15 -2.340 -9.162 14.329 115 HA3 GLY 15 2HA GLY 15 -1.268 -10.554 14.300 116 H LEU 16 H LEU 16 -0.364 -10.823 16.222 117 HA LEU 16 HA LEU 16 0.553 -10.390 18.264 118 HB2 LEU 16 1HB LEU 16 1.867 -8.453 16.413 119 HB3 LEU 16 2HB LEU 16 2.215 -8.368 18.139 120 HG LEU 16 HG LEU 16 3.911 -9.638 16.896 121 HD11 LEU 16 1HD1 LEU 16 3.280 -11.902 18.282 122 HD12 LEU 16 2HD1 LEU 16 2.336 -10.677 19.128 123 HD13 LEU 16 3HD1 LEU 16 4.080 -10.484 18.959 124 HD21 LEU 16 3HD2 LEU 16 1.857 -11.774 16.437 125 HD22 LEU 16 1HD2 LEU 16 3.462 -11.602 15.725 126 HD23 LEU 16 2HD2 LEU 16 2.159 -10.518 15.235 127 H TRP 17 H TRP 17 -1.636 -9.771 18.991 128 HA TRP 17 HA TRP 17 -2.394 -7.037 19.162 129 HB2 TRP 17 1HB TRP 17 -3.816 -9.241 19.389 130 HB3 TRP 17 2HB TRP 17 -3.412 -9.082 21.096 131 HD1 TRP 17 HD1 TRP 17 -3.648 -5.871 21.251 132 HE1 TRP 17 HE1 TRP 17 -5.990 -4.805 21.199 133 HE3 TRP 17 HE3 TRP 17 -6.244 -9.719 19.108 134 HZ2 TRP 17 HZ2 TRP 17 -8.594 -5.503 20.361 135 HZ3 TRP 17 HZ3 TRP 17 -8.657 -9.439 18.716 136 HH2 TRP 17 HH2 TRP 17 -9.806 -7.374 19.331 137 H ASP 18 H ASP 18 -0.499 -6.030 20.006 138 HA ASP 18 HA ASP 18 0.877 -5.207 21.628 139 HB2 ASP 18 1HB ASP 18 -1.821 -5.371 22.746 140 HB3 ASP 18 2HB ASP 18 -0.563 -5.354 23.979 141 H PHE 19 H PHE 19 2.324 -7.015 21.465 142 HA PHE 19 HA PHE 19 2.468 -8.513 23.970 143 HB2 PHE 19 1HB PHE 19 1.411 -9.813 21.912 144 HB3 PHE 19 2HB PHE 19 3.103 -10.009 21.467 145 HD1 PHE 19 HD2 PHE 19 4.660 -10.850 23.418 146 HD2 PHE 19 HD1 PHE 19 0.440 -11.390 23.266 147 HE1 PHE 19 HE2 PHE 19 4.850 -12.747 24.974 148 HE2 PHE 19 HE1 PHE 19 0.624 -13.287 24.823 149 HZ PHE 19 HZ PHE 19 2.831 -13.968 25.678 150 H LYS 20 H LYS 20 4.433 -8.362 24.815 151 HA LYS 20 HA LYS 20 6.721 -7.948 23.009 152 HB2 LYS 20 1HB LYS 20 6.447 -6.646 25.717 153 HB3 LYS 20 2HB LYS 20 7.672 -6.332 24.495 154 HG2 LYS 20 1HG LYS 20 4.742 -5.762 24.115 155 HG3 LYS 20 2HG LYS 20 5.915 -4.576 24.692 156 HD2 LYS 20 1HD LYS 20 7.210 -5.354 22.511 157 HD3 LYS 20 2HD LYS 20 5.575 -5.762 21.987 158 HE2 LYS 20 1HE LYS 20 6.578 -3.070 22.902 159 HE3 LYS 20 2HE LYS 20 6.098 -3.526 21.268 160 HZ1 LYS 20 3HZ LYS 20 3.840 -3.846 22.052 161 HZ2 LYS 20 1HZ LYS 20 4.363 -2.274 22.396 162 HZ3 LYS 20 2HZ LYS 20 4.296 -3.432 23.627 163 H SER 21 H SER 21 7.655 -9.919 23.110 164 HA SER 21 HA SER 21 7.952 -11.260 25.679 165 HB2 SER 21 1HB SER 21 8.417 -12.072 22.821 166 HB3 SER 21 2HB SER 21 9.083 -13.026 24.146 167 HG SER 21 HG SER 21 6.448 -12.689 23.339 168 H ARG 22 H ARG 22 10.235 -12.514 25.715 169 HA ARG 22 HA ARG 22 12.339 -10.505 25.261 170 HB2 ARG 22 1HB ARG 22 12.267 -12.303 27.678 171 HB3 ARG 22 2HB ARG 22 13.294 -10.904 27.397 172 HG2 ARG 22 1HG ARG 22 11.786 -9.974 28.812 173 HG3 ARG 22 2HG ARG 22 10.958 -9.669 27.284 174 HD2 ARG 22 1HD ARG 22 9.384 -11.303 27.656 175 HD3 ARG 22 2HD ARG 22 10.443 -12.229 28.718 176 HE ARG 22 HE ARG 22 9.758 -9.717 29.862 177 HH11 ARG 22 1HH1 ARG 22 8.546 -12.925 29.263 178 HH12 ARG 22 2HH1 ARG 22 7.452 -12.904 30.606 179 HH21 ARG 22 1HH2 ARG 22 8.322 -9.677 31.634 180 HH22 ARG 22 2HH2 ARG 22 7.325 -11.055 31.954 181 H THR 23 H THR 23 11.424 -13.041 23.886 182 HA THR 23 HA THR 23 14.089 -14.208 23.636 183 HB THR 23 HB THR 23 12.813 -16.514 23.493 184 HG1 THR 23 HG1 THR 23 10.741 -15.700 23.917 185 HG21 THR 23 3HG2 THR 23 13.118 -15.741 26.312 186 HG22 THR 23 1HG2 THR 23 14.507 -15.372 25.291 187 HG23 THR 23 2HG2 THR 23 13.905 -17.027 25.398 188 H ASP 24 H ASP 24 14.370 -15.457 21.682 189 HA ASP 24 HA ASP 24 13.255 -14.260 19.417 190 HB2 ASP 24 1HB ASP 24 14.554 -16.987 19.591 191 HB3 ASP 24 2HB ASP 24 14.367 -16.011 18.136 192 H GLU 25 H GLU 25 12.081 -16.799 21.411 193 HA GLU 25 HA GLU 25 10.496 -18.245 19.632 194 HB2 GLU 25 1HB GLU 25 9.985 -17.598 22.540 195 HB3 GLU 25 2HB GLU 25 9.125 -18.825 21.620 196 HG2 GLU 25 1HG GLU 25 11.533 -19.743 21.171 197 HG3 GLU 25 2HG GLU 25 11.927 -18.822 22.621 198 H GLU 26 H GLU 26 10.119 -15.053 20.870 199 HA GLU 26 HA GLU 26 7.651 -14.763 19.334 200 HB2 GLU 26 1HB GLU 26 7.935 -14.353 22.274 201 HB3 GLU 26 2HB GLU 26 6.916 -13.235 21.378 202 HG2 GLU 26 1HG GLU 26 6.043 -15.632 20.440 203 HG3 GLU 26 2HG GLU 26 6.462 -16.030 22.105 204 H LEU 27 H LEU 27 7.126 -12.530 18.845 205 HA LEU 27 HA LEU 27 9.542 -10.942 18.508 206 HB2 LEU 27 1HB LEU 27 6.753 -10.654 17.410 207 HB3 LEU 27 2HB LEU 27 8.060 -9.518 17.081 208 HG LEU 27 HG LEU 27 7.918 -10.907 15.187 209 HD11 LEU 27 1HD1 LEU 27 10.209 -10.559 16.286 210 HD12 LEU 27 2HD1 LEU 27 10.065 -11.801 15.043 211 HD13 LEU 27 3HD1 LEU 27 10.093 -12.258 16.746 212 HD21 LEU 27 3HD2 LEU 27 6.610 -12.686 16.562 213 HD22 LEU 27 1HD2 LEU 27 8.200 -13.417 16.784 214 HD23 LEU 27 2HD2 LEU 27 7.555 -13.187 15.159 215 H SER 28 H SER 28 9.774 -8.813 19.203 216 HA SER 28 HA SER 28 8.031 -8.086 21.454 217 HB2 SER 28 1HB SER 28 10.610 -8.375 21.669 218 HB3 SER 28 2HB SER 28 10.686 -6.794 20.893 219 HG SER 28 HG SER 28 9.683 -5.889 22.603 220 H PHE 29 H PHE 29 6.416 -7.245 19.984 221 HA PHE 29 HA PHE 29 6.784 -4.434 19.512 222 HB2 PHE 29 1HB PHE 29 7.446 -6.100 17.399 223 HB3 PHE 29 2HB PHE 29 5.791 -5.623 17.039 224 HD1 PHE 29 HD2 PHE 29 9.223 -4.430 17.535 225 HD2 PHE 29 HD1 PHE 29 5.246 -3.368 16.452 226 HE1 PHE 29 HE2 PHE 29 10.039 -2.279 16.664 227 HE2 PHE 29 HE1 PHE 29 6.056 -1.215 15.579 228 HZ PHE 29 HZ PHE 29 8.455 -0.667 15.686 229 H ARG 30 H ARG 30 4.760 -3.407 18.715 230 HA ARG 30 HA ARG 30 2.468 -4.752 19.921 231 HB2 ARG 30 1HB ARG 30 1.415 -2.604 19.989 232 HB3 ARG 30 2HB ARG 30 3.072 -2.399 20.541 233 HG2 ARG 30 1HG ARG 30 3.700 -1.547 18.336 234 HG3 ARG 30 2HG ARG 30 2.033 -1.743 17.793 235 HD2 ARG 30 1HD ARG 30 2.220 0.524 18.370 236 HD3 ARG 30 2HD ARG 30 1.394 -0.226 19.735 237 HE ARG 30 HE ARG 30 4.155 -0.225 20.231 238 HH11 ARG 30 1HH1 ARG 30 1.483 1.992 19.963 239 HH12 ARG 30 2HH1 ARG 30 2.171 3.155 21.048 240 HH21 ARG 30 1HH2 ARG 30 5.070 1.299 21.661 241 HH22 ARG 30 2HH2 ARG 30 4.211 2.760 22.012 242 H ALA 31 H ALA 31 0.352 -4.614 18.849 243 HA ALA 31 HA ALA 31 0.369 -5.755 16.308 244 HB1 ALA 31 1HB ALA 31 -1.663 -4.743 18.161 245 HB2 ALA 31 2HB ALA 31 -2.141 -4.716 16.463 246 HB3 ALA 31 3HB ALA 31 -1.629 -6.229 17.211 247 H GLY 32 H GLY 32 -0.922 -4.805 14.409 248 HA2 GLY 32 1HA GLY 32 -1.428 -2.980 13.002 249 HA3 GLY 32 2HA GLY 32 -0.509 -1.931 14.071 250 H ASP 33 H ASP 33 1.733 -3.937 14.060 251 HA ASP 33 HA ASP 33 3.116 -2.832 11.794 252 HB2 ASP 33 1HB ASP 33 3.837 -4.457 14.170 253 HB3 ASP 33 2HB ASP 33 4.873 -4.627 12.755 254 H VAL 34 H VAL 34 3.866 -3.892 9.986 255 HA VAL 34 HA VAL 34 2.421 -6.321 9.285 256 HB VAL 34 HB VAL 34 3.407 -5.929 7.007 257 HG11 VAL 34 1HG1 VAL 34 1.652 -3.928 8.378 258 HG12 VAL 34 2HG1 VAL 34 2.062 -3.745 6.671 259 HG13 VAL 34 3HG1 VAL 34 1.217 -5.191 7.227 260 HG21 VAL 34 3HG2 VAL 34 4.551 -3.913 6.505 261 HG22 VAL 34 1HG2 VAL 34 4.247 -3.259 8.114 262 HG23 VAL 34 2HG2 VAL 34 5.362 -4.610 7.908 263 H PHE 35 H PHE 35 3.344 -8.270 8.837 264 HA PHE 35 HA PHE 35 6.263 -8.497 9.006 265 HB2 PHE 35 1HB PHE 35 4.521 -10.513 10.392 266 HB3 PHE 35 2HB PHE 35 6.231 -10.175 10.636 267 HD1 PHE 35 HD1 PHE 35 6.824 -7.869 11.627 268 HD2 PHE 35 HD2 PHE 35 2.946 -9.613 11.825 269 HE1 PHE 35 HE1 PHE 35 6.266 -6.405 13.524 270 HE2 PHE 35 HE2 PHE 35 2.382 -8.151 13.721 271 HZ PHE 35 HZ PHE 35 4.042 -6.543 14.573 272 H HIS 36 H HIS 36 7.053 -10.629 8.239 273 HA HIS 36 HA HIS 36 5.217 -11.954 6.374 274 HB2 HIS 36 1HB HIS 36 6.582 -10.221 5.167 275 HB3 HIS 36 2HB HIS 36 8.023 -11.129 5.612 276 HD1 HIS 36 HD1 HIS 36 8.764 -12.784 3.933 277 HD2 HIS 36 HD2 HIS 36 4.712 -11.934 3.581 278 HE1 HIS 36 HE1 HIS 36 7.980 -14.066 1.916 279 H VAL 37 H VAL 37 5.456 -14.122 6.247 280 HA VAL 37 HA VAL 37 7.281 -15.372 8.115 281 HB VAL 37 HB VAL 37 6.146 -17.477 7.483 282 HG11 VAL 37 1HG1 VAL 37 4.024 -16.969 8.509 283 HG12 VAL 37 2HG1 VAL 37 5.288 -16.015 9.290 284 HG13 VAL 37 3HG1 VAL 37 4.205 -15.258 8.120 285 HG21 VAL 37 3HG2 VAL 37 5.242 -15.838 5.276 286 HG22 VAL 37 1HG2 VAL 37 5.215 -17.591 5.463 287 HG23 VAL 37 2HG2 VAL 37 3.893 -16.616 6.103 288 H ALA 38 H ALA 38 9.168 -16.280 7.620 289 HA ALA 38 HA ALA 38 10.021 -16.332 4.840 290 HB1 ALA 38 1HB ALA 38 11.867 -17.290 6.926 291 HB2 ALA 38 2HB ALA 38 12.133 -16.150 5.606 292 HB3 ALA 38 3HB ALA 38 11.332 -15.616 7.084 293 H ARG 39 H ARG 39 9.419 -18.566 7.499 294 HA ARG 39 HA ARG 39 9.353 -20.764 5.574 295 HB2 ARG 39 1HB ARG 39 10.989 -20.770 8.115 296 HB3 ARG 39 2HB ARG 39 10.614 -22.214 7.184 297 HG2 ARG 39 1HG ARG 39 11.976 -21.588 5.420 298 HG3 ARG 39 2HG ARG 39 11.956 -19.885 5.880 299 HD2 ARG 39 1HD ARG 39 14.062 -20.504 6.561 300 HD3 ARG 39 2HD ARG 39 13.137 -20.759 8.040 301 HE ARG 39 HE ARG 39 13.529 -23.009 7.858 302 HH11 ARG 39 1HH1 ARG 39 14.297 -21.461 4.836 303 HH12 ARG 39 2HH1 ARG 39 15.013 -22.878 4.143 304 HH21 ARG 39 1HH2 ARG 39 14.470 -24.881 6.957 305 HH22 ARG 39 2HH2 ARG 39 15.110 -24.823 5.349 306 H LYS 40 H LYS 40 7.533 -21.867 5.815 307 HA LYS 40 HA LYS 40 6.082 -21.656 8.360 308 HB2 LYS 40 1HB LYS 40 4.134 -22.496 6.975 309 HB3 LYS 40 2HB LYS 40 4.734 -20.895 6.564 310 HG2 LYS 40 1HG LYS 40 5.529 -21.557 4.540 311 HG3 LYS 40 2HG LYS 40 5.854 -23.206 5.081 312 HD2 LYS 40 1HD LYS 40 3.260 -23.371 5.251 313 HD3 LYS 40 2HD LYS 40 3.283 -21.980 4.164 314 HE2 LYS 40 1HE LYS 40 4.684 -24.599 3.641 315 HE3 LYS 40 2HE LYS 40 3.110 -24.154 2.984 316 HZ1 LYS 40 3HZ LYS 40 5.387 -23.728 1.704 317 HZ2 LYS 40 1HZ LYS 40 5.273 -22.261 2.540 318 HZ3 LYS 40 2HZ LYS 40 4.026 -22.744 1.504 319 H GLU 41 H GLU 41 5.947 -23.357 9.664 320 HA GLU 41 HA GLU 41 6.814 -25.968 8.649 321 HB2 GLU 41 1HB GLU 41 7.592 -24.624 10.884 322 HB3 GLU 41 2HB GLU 41 6.322 -25.648 11.539 323 HG2 GLU 41 1HG GLU 41 8.347 -26.917 9.787 324 HG3 GLU 41 2HG GLU 41 8.843 -26.431 11.407 325 H GLU 42 H GLU 42 5.693 -27.896 9.570 326 HA GLU 42 HA GLU 42 2.975 -27.873 8.916 327 HB2 GLU 42 1HB GLU 42 2.911 -30.141 9.632 328 HB3 GLU 42 2HB GLU 42 4.508 -29.874 8.946 329 HG2 GLU 42 1HG GLU 42 5.461 -29.676 11.162 330 HG3 GLU 42 2HG GLU 42 3.863 -29.849 11.886 331 H GLN 43 H GLN 43 4.597 -27.129 11.868 332 HA GLN 43 HA GLN 43 2.082 -27.227 13.374 333 HB2 GLN 43 1HB GLN 43 4.936 -26.882 14.309 334 HB3 GLN 43 2HB GLN 43 3.531 -26.874 15.367 335 HG2 GLN 43 1HG GLN 43 3.073 -29.200 14.236 336 HG3 GLN 43 2HG GLN 43 4.806 -29.134 13.921 337 HE21 GLN 43 2HE2 GLN 43 5.183 -30.879 15.296 338 HE22 GLN 43 1HE2 GLN 43 5.117 -30.719 17.014 339 H TRP 44 H TRP 44 4.891 -25.059 13.596 340 HA TRP 44 HA TRP 44 3.020 -22.784 13.469 341 HB2 TRP 44 1HB TRP 44 5.647 -22.818 14.960 342 HB3 TRP 44 2HB TRP 44 4.383 -21.593 15.037 343 HD1 TRP 44 HD1 TRP 44 1.866 -23.412 15.557 344 HE1 TRP 44 HE1 TRP 44 1.601 -24.637 17.805 345 HE3 TRP 44 HE3 TRP 44 6.754 -23.424 17.055 346 HZ2 TRP 44 HZ2 TRP 44 3.246 -25.494 19.933 347 HZ3 TRP 44 HZ3 TRP 44 7.324 -24.467 19.210 348 HH2 TRP 44 HH2 TRP 44 5.605 -25.479 20.618 349 H TRP 45 H TRP 45 3.884 -20.793 12.586 350 HA TRP 45 HA TRP 45 5.867 -21.329 10.485 351 HB2 TRP 45 1HB TRP 45 3.912 -19.029 10.617 352 HB3 TRP 45 2HB TRP 45 4.877 -19.534 9.232 353 HD1 TRP 45 HD1 TRP 45 4.106 -22.731 9.721 354 HE1 TRP 45 HE1 TRP 45 1.798 -23.504 8.885 355 HE3 TRP 45 HE3 TRP 45 1.779 -18.188 9.450 356 HZ2 TRP 45 HZ2 TRP 45 -0.681 -22.341 8.200 357 HZ3 TRP 45 HZ3 TRP 45 -0.561 -18.104 8.695 358 HH2 TRP 45 HH2 TRP 45 -1.764 -20.139 8.082 359 H TRP 46 H TRP 46 7.611 -19.971 10.156 360 HA TRP 46 HA TRP 46 8.425 -18.441 12.487 361 HB2 TRP 46 1HB TRP 46 9.796 -19.560 10.087 362 HB3 TRP 46 2HB TRP 46 10.533 -18.175 10.888 363 HD1 TRP 46 HD1 TRP 46 8.880 -21.348 12.410 364 HE1 TRP 46 HE1 TRP 46 10.561 -22.398 14.053 365 HE3 TRP 46 HE3 TRP 46 12.802 -18.142 11.718 366 HZ2 TRP 46 HZ2 TRP 46 13.199 -21.929 14.939 367 HZ3 TRP 46 HZ3 TRP 46 14.868 -18.512 13.002 368 HH2 TRP 46 HH2 TRP 46 15.060 -20.366 14.579 369 H ALA 47 H ALA 47 7.872 -16.376 12.639 370 HA ALA 47 HA ALA 47 7.506 -14.804 10.188 371 HB1 ALA 47 1HB ALA 47 6.201 -13.281 11.488 372 HB2 ALA 47 2HB ALA 47 5.653 -14.917 11.855 373 HB3 ALA 47 3HB ALA 47 6.694 -14.060 12.992 374 H THR 48 H THR 48 8.382 -12.671 10.038 375 HA THR 48 HA THR 48 10.677 -12.155 11.807 376 HB THR 48 HB THR 48 10.711 -11.722 8.816 377 HG1 THR 48 HG1 THR 48 10.763 -13.990 9.616 378 HG21 THR 48 3HG2 THR 48 13.035 -11.710 10.727 379 HG22 THR 48 1HG2 THR 48 12.128 -10.249 10.337 380 HG23 THR 48 2HG2 THR 48 12.981 -11.124 9.065 381 H LEU 49 H LEU 49 10.738 -10.156 12.611 382 HA LEU 49 HA LEU 49 8.784 -8.213 11.662 383 HB2 LEU 49 1HB LEU 49 8.695 -8.385 13.972 384 HB3 LEU 49 2HB LEU 49 10.446 -8.508 14.128 385 HG LEU 49 HG LEU 49 10.706 -6.152 13.751 386 HD11 LEU 49 1HD1 LEU 49 9.266 -5.129 12.404 387 HD12 LEU 49 2HD1 LEU 49 8.150 -5.073 13.767 388 HD13 LEU 49 3HD1 LEU 49 8.062 -6.401 12.611 389 HD21 LEU 49 3HD2 LEU 49 10.090 -5.533 15.827 390 HD22 LEU 49 1HD2 LEU 49 9.633 -7.229 15.983 391 HD23 LEU 49 2HD2 LEU 49 8.411 -6.020 15.590 392 H LEU 50 H LEU 50 9.313 -6.642 10.306 393 HA LEU 50 HA LEU 50 12.150 -5.905 10.043 394 HB2 LEU 50 1HB LEU 50 10.188 -5.099 7.979 395 HB3 LEU 50 2HB LEU 50 11.868 -5.604 7.809 396 HG LEU 50 HG LEU 50 9.506 -7.429 8.261 397 HD11 LEU 50 1HD1 LEU 50 9.666 -8.045 6.013 398 HD12 LEU 50 2HD1 LEU 50 11.241 -7.278 5.819 399 HD13 LEU 50 3HD1 LEU 50 9.794 -6.286 5.993 400 HD21 LEU 50 3HD2 LEU 50 10.996 -9.246 8.125 401 HD22 LEU 50 1HD2 LEU 50 11.737 -8.118 9.259 402 HD23 LEU 50 2HD2 LEU 50 12.331 -8.218 7.602 403 H ASP 51 H ASP 51 12.760 -3.751 10.009 404 HA ASP 51 HA ASP 51 11.134 -1.973 11.533 405 HB2 ASP 51 1HB ASP 51 13.793 -2.177 11.177 406 HB3 ASP 51 2HB ASP 51 13.448 -0.889 10.026 407 H GLU 52 H GLU 52 11.136 0.453 10.629 408 HA GLU 52 HA GLU 52 9.149 0.560 8.676 409 HB2 GLU 52 1HB GLU 52 9.425 2.947 8.709 410 HB3 GLU 52 2HB GLU 52 9.638 2.344 10.347 411 HG2 GLU 52 1HG GLU 52 12.159 2.348 9.753 412 HG3 GLU 52 2HG GLU 52 11.672 3.442 8.460 413 H ALA 53 H ALA 53 12.593 0.437 8.381 414 HA ALA 53 HA ALA 53 12.620 1.349 5.633 415 HB1 ALA 53 1HB ALA 53 14.864 1.484 5.837 416 HB2 ALA 53 2HB ALA 53 14.489 1.438 7.560 417 HB3 ALA 53 3HB ALA 53 14.985 -0.034 6.726 418 H GLY 54 H GLY 54 12.152 -1.599 7.298 419 HA2 GLY 54 1HA GLY 54 11.575 -3.668 6.438 420 HA3 GLY 54 2HA GLY 54 11.819 -3.023 4.821 421 H GLY 55 H GLY 55 14.304 -2.810 7.261 422 HA2 GLY 55 1HA GLY 55 16.015 -4.488 5.586 423 HA3 GLY 55 2HA GLY 55 16.548 -3.430 6.884 424 H ALA 56 H ALA 56 13.879 -5.299 7.770 425 HA ALA 56 HA ALA 56 13.590 -7.111 9.120 426 HB1 ALA 56 1HB ALA 56 16.268 -8.251 8.724 427 HB2 ALA 56 2HB ALA 56 14.677 -8.989 8.535 428 HB3 ALA 56 3HB ALA 56 15.341 -7.984 7.247 429 H VAL 57 H VAL 57 13.655 -7.105 11.270 430 HA VAL 57 HA VAL 57 16.013 -5.937 12.589 431 HB VAL 57 HB VAL 57 13.274 -6.253 13.809 432 HG11 VAL 57 1HG1 VAL 57 14.142 -5.311 15.634 433 HG12 VAL 57 2HG1 VAL 57 15.727 -5.616 14.919 434 HG13 VAL 57 3HG1 VAL 57 14.943 -4.052 14.696 435 HG21 VAL 57 3HG2 VAL 57 14.398 -3.851 12.369 436 HG22 VAL 57 1HG2 VAL 57 13.074 -4.872 11.809 437 HG23 VAL 57 2HG2 VAL 57 12.881 -3.897 13.267 438 H ALA 58 H ALA 58 13.420 -8.195 13.540 439 HA ALA 58 HA ALA 58 15.490 -10.057 14.488 440 HB1 ALA 58 1HB ALA 58 14.583 -10.291 16.579 441 HB2 ALA 58 2HB ALA 58 14.262 -8.582 16.279 442 HB3 ALA 58 3HB ALA 58 12.978 -9.772 16.063 443 H GLN 59 H GLN 59 14.320 -12.215 15.156 444 HA GLN 59 HA GLN 59 12.224 -12.838 13.194 445 HB2 GLN 59 1HB GLN 59 14.694 -14.501 13.712 446 HB3 GLN 59 2HB GLN 59 13.352 -14.968 12.677 447 HG2 GLN 59 1HG GLN 59 13.919 -13.474 11.029 448 HG3 GLN 59 2HG GLN 59 14.778 -12.410 12.142 449 HE21 GLN 59 2HE2 GLN 59 15.143 -14.604 9.718 450 HE22 GLN 59 1HE2 GLN 59 16.782 -15.072 9.998 451 H GLY 60 H GLY 60 10.566 -13.955 14.013 452 HA2 GLY 60 1HA GLY 60 10.955 -15.746 16.269 453 HA3 GLY 60 2HA GLY 60 9.962 -14.332 16.592 454 H TYR 61 H TYR 61 9.444 -17.330 16.398 455 HA TYR 61 HA TYR 61 7.564 -17.510 14.202 456 HB2 TYR 61 1HB TYR 61 7.317 -19.797 14.787 457 HB3 TYR 61 2HB TYR 61 9.023 -19.426 15.010 458 HD1 TYR 61 HD1 TYR 61 5.858 -20.169 16.720 459 HD2 TYR 61 HD2 TYR 61 10.021 -19.440 17.206 460 HE1 TYR 61 HE1 TYR 61 5.727 -21.000 19.031 461 HE2 TYR 61 HE2 TYR 61 9.902 -20.269 19.519 462 HH TYR 61 HH TYR 61 8.618 -21.164 21.090 463 H VAL 62 H VAL 62 5.322 -17.889 14.442 464 HA VAL 62 HA VAL 62 4.099 -17.515 17.045 465 HB VAL 62 HB VAL 62 4.402 -15.206 16.373 466 HG11 VAL 62 1HG1 VAL 62 2.624 -15.173 14.088 467 HG12 VAL 62 2HG1 VAL 62 4.235 -14.477 14.274 468 HG13 VAL 62 3HG1 VAL 62 4.052 -16.165 13.793 469 HG21 VAL 62 3HG2 VAL 62 1.960 -14.530 16.226 470 HG22 VAL 62 1HG2 VAL 62 1.590 -16.254 16.189 471 HG23 VAL 62 2HG2 VAL 62 2.409 -15.557 17.587 472 HA PRO 63 HA PRO 63 1.244 -20.317 15.176 473 HB2 PRO 63 1HB PRO 63 -0.710 -20.164 17.054 474 HB3 PRO 63 2HB PRO 63 0.804 -21.040 17.312 475 HG2 PRO 63 1HG PRO 63 0.024 -18.295 18.220 476 HG3 PRO 63 2HG PRO 63 0.873 -19.570 19.113 477 HD2 PRO 63 1HD PRO 63 2.165 -17.476 17.982 478 HD3 PRO 63 2HD PRO 63 2.900 -19.086 18.127 479 H HIS 64 H HIS 64 -0.689 -20.311 14.020 480 HA HIS 64 HA HIS 64 -1.500 -17.869 12.899 481 HB2 HIS 64 1HB HIS 64 -3.227 -19.143 11.766 482 HB3 HIS 64 2HB HIS 64 -1.730 -20.070 11.777 483 HD1 HIS 64 HD1 HIS 64 -1.781 -22.338 12.874 484 HD2 HIS 64 HD2 HIS 64 -5.232 -20.132 13.572 485 HE1 HIS 64 HE1 HIS 64 -3.391 -23.935 13.961 486 H ASN 65 H ASN 65 -2.405 -19.405 15.809 487 HA ASN 65 HA ASN 65 -5.044 -18.448 16.092 488 HB2 ASN 65 1HB ASN 65 -3.665 -20.204 17.492 489 HB3 ASN 65 2HB ASN 65 -3.261 -18.797 18.471 490 HD21 ASN 65 2HD2 ASN 65 -5.453 -21.247 17.979 491 HD22 ASN 65 1HD2 ASN 65 -6.764 -20.629 18.920 492 H TYR 66 H TYR 66 -2.038 -16.858 16.186 493 HA TYR 66 HA TYR 66 -3.249 -14.530 17.526 494 HB2 TYR 66 1HB TYR 66 -0.946 -15.810 18.237 495 HB3 TYR 66 2HB TYR 66 -0.323 -14.546 17.183 496 HD1 TYR 66 HD2 TYR 66 -3.018 -14.705 19.776 497 HD2 TYR 66 HD1 TYR 66 0.498 -12.760 18.378 498 HE1 TYR 66 HE2 TYR 66 -3.184 -13.091 21.624 499 HE2 TYR 66 HE1 TYR 66 0.343 -11.141 20.223 500 HH TYR 66 HH TYR 66 -1.008 -10.331 21.853 501 H LEU 67 H LEU 67 -1.110 -15.520 14.875 502 HA LEU 67 HA LEU 67 -1.358 -12.886 13.647 503 HB2 LEU 67 1HB LEU 67 0.746 -14.538 13.808 504 HB3 LEU 67 2HB LEU 67 0.076 -15.077 12.270 505 HG LEU 67 HG LEU 67 0.226 -12.725 11.456 506 HD11 LEU 67 1HD1 LEU 67 0.408 -11.171 13.052 507 HD12 LEU 67 2HD1 LEU 67 2.125 -11.573 13.048 508 HD13 LEU 67 3HD1 LEU 67 1.048 -12.318 14.229 509 HD21 LEU 67 3HD2 LEU 67 1.950 -14.026 10.656 510 HD22 LEU 67 1HD2 LEU 67 2.610 -14.331 12.263 511 HD23 LEU 67 2HD2 LEU 67 2.836 -12.756 11.502 512 H ALA 68 H ALA 68 -2.065 -12.617 11.467 513 HA ALA 68 HA ALA 68 -3.558 -14.817 10.266 514 HB1 ALA 68 1HB ALA 68 -5.343 -12.764 9.935 515 HB2 ALA 68 2HB ALA 68 -5.489 -14.073 11.109 516 HB3 ALA 68 3HB ALA 68 -4.788 -12.529 11.593 517 H GLU 69 H GLU 69 -3.865 -14.619 8.045 518 HA GLU 69 HA GLU 69 -1.936 -13.115 6.646 519 HB2 GLU 69 1HB GLU 69 -2.845 -14.043 4.664 520 HB3 GLU 69 2HB GLU 69 -3.025 -15.277 5.904 521 HG2 GLU 69 1HG GLU 69 -5.391 -14.311 6.211 522 HG3 GLU 69 2HG GLU 69 -5.119 -13.559 4.640 523 H ARG 70 H ARG 70 -2.156 -11.351 5.243 524 HA ARG 70 HA ARG 70 -4.623 -9.776 5.558 525 HB2 ARG 70 1HB ARG 70 -1.793 -8.990 6.044 526 HB3 ARG 70 2HB ARG 70 -2.854 -7.796 5.308 527 HG2 ARG 70 1HG ARG 70 -3.574 -9.236 7.841 528 HG3 ARG 70 2HG ARG 70 -2.634 -7.742 7.830 529 HD2 ARG 70 1HD ARG 70 -4.724 -6.860 8.043 530 HD3 ARG 70 2HD ARG 70 -4.623 -6.934 6.284 531 HE ARG 70 HE ARG 70 -5.715 -9.328 7.360 532 HH11 ARG 70 1HH1 ARG 70 -6.486 -6.017 6.608 533 HH12 ARG 70 2HH1 ARG 70 -8.177 -6.324 6.390 534 HH21 ARG 70 1HH2 ARG 70 -7.939 -9.744 7.076 535 HH22 ARG 70 2HH2 ARG 70 -9.003 -8.444 6.658 536 H GLU 71 H GLU 71 -4.932 -11.021 3.454 537 HA GLU 71 HA GLU 71 -3.447 -10.500 1.154 538 HB2 GLU 71 1HB GLU 71 -6.420 -11.012 1.354 539 HB3 GLU 71 2HB GLU 71 -5.441 -11.187 -0.096 540 HG2 GLU 71 1HG GLU 71 -4.170 -12.973 0.966 541 HG3 GLU 71 2HG GLU 71 -5.131 -12.791 2.432 542 H THR 72 H THR 72 -3.601 -8.989 -0.483 543 HA THR 72 HA THR 72 -5.034 -6.521 0.235 544 HB THR 72 HB THR 72 -2.639 -6.182 0.096 545 HG1 THR 72 HG1 THR 72 -3.881 -4.470 -0.700 546 HG21 THR 72 3HG2 THR 72 -1.368 -7.314 -1.339 547 HG22 THR 72 1HG2 THR 72 -2.161 -6.511 -2.694 548 HG23 THR 72 2HG2 THR 72 -2.815 -8.021 -2.058
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