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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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11775 |
1s04 ![]() ![]() |
6045 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 -16.198 3.046 10.341 2 1HB MET 1 1HB MET 1 -15.023 1.239 12.528 3 2HB MET 1 2HB MET 1 -14.139 2.498 11.688 4 1HG MET 1 1HG MET 1 -14.885 4.021 13.195 5 2HG MET 1 2HG MET 1 -16.533 3.724 12.678 6 1HE MET 1 1HE MET 1 -17.266 3.462 16.341 7 2HE MET 1 2HE MET 1 -15.811 4.410 15.950 8 3HE MET 1 3HE MET 1 -17.223 4.458 14.867 9 H GLU 2 H GLU 2 -16.433 2.007 8.290 10 HA GLU 2 HA GLU 2 -14.616 -0.231 8.002 11 1HB GLU 2 1HB GLU 2 -17.018 -1.072 8.182 12 2HB GLU 2 2HB GLU 2 -17.372 -0.205 6.701 13 1HG GLU 2 1HG GLU 2 -15.010 -1.662 6.128 14 2HG GLU 2 2HG GLU 2 -15.996 -2.770 7.061 15 H TRP 3 H TRP 3 -13.499 -0.261 5.994 16 HA TRP 3 HA TRP 3 -13.998 2.121 4.345 17 1HB TRP 3 1HB TRP 3 -11.403 0.601 4.581 18 2HB TRP 3 2HB TRP 3 -11.679 2.150 3.809 19 HD1 TRP 3 HD1 TRP 3 -10.170 0.947 6.847 20 HE1 TRP 3 HE1 TRP 3 -10.111 2.682 8.835 21 HE3 TRP 3 HE3 TRP 3 -13.640 4.105 4.888 22 HZ2 TRP 3 HZ2 TRP 3 -11.490 5.126 9.352 23 HZ3 TRP 3 HZ3 TRP 3 -14.227 6.143 6.198 24 HH2 TRP 3 HH2 TRP 3 -13.214 6.675 8.358 25 H GLU 4 H GLU 4 -14.186 1.829 2.086 26 HA GLU 4 HA GLU 4 -14.039 -0.941 1.201 27 1HB GLU 4 1HB GLU 4 -16.117 -0.737 -0.025 28 2HB GLU 4 2HB GLU 4 -16.426 -0.262 1.633 29 1HG GLU 4 1HG GLU 4 -15.645 2.143 0.405 30 2HG GLU 4 2HG GLU 4 -16.592 1.345 -0.835 31 H MET 5 H MET 5 -13.177 -1.244 -0.883 32 HA MET 5 HA MET 5 -12.827 1.074 -2.538 33 1HB MET 5 1HB MET 5 -10.480 -0.554 -1.412 34 2HB MET 5 2HB MET 5 -10.317 0.595 -2.725 35 1HG MET 5 1HG MET 5 -11.478 2.283 -1.025 36 2HG MET 5 2HG MET 5 -10.953 1.133 0.189 37 1HE MET 5 1HE MET 5 -7.907 2.850 1.061 38 2HE MET 5 2HE MET 5 -9.529 2.228 1.451 39 3HE MET 5 3HE MET 5 -8.217 1.097 1.042 40 H GLY 6 H GLY 6 -11.139 0.131 -4.486 41 1HA GLY 6 1HA GLY 6 -11.846 -2.615 -5.137 42 2HA GLY 6 2HA GLY 6 -12.560 -1.380 -6.155 43 H LEU 7 H LEU 7 -10.480 -3.493 -6.758 44 HA LEU 7 HA LEU 7 -8.808 -1.855 -8.337 45 1HB LEU 7 1HB LEU 7 -6.657 -2.698 -7.271 46 2HB LEU 7 2HB LEU 7 -7.490 -1.354 -6.515 47 HG LEU 7 HG LEU 7 -8.052 -4.123 -5.519 48 1HD1 LEU 7 1HD1 LEU 7 -5.817 -4.453 -5.321 49 2HD1 LEU 7 2HD1 LEU 7 -5.440 -2.713 -5.324 50 3HD1 LEU 7 3HD1 LEU 7 -6.066 -3.486 -3.848 51 1HD2 LEU 7 1HD2 LEU 7 -9.257 -2.910 -4.100 52 2HD2 LEU 7 2HD2 LEU 7 -7.725 -2.329 -3.406 53 3HD2 LEU 7 3HD2 LEU 7 -8.537 -1.390 -4.681 54 H GLN 8 H GLN 8 -7.377 -3.201 -9.736 55 HA GLN 8 HA GLN 8 -8.717 -5.322 -10.751 56 1HB GLN 8 1HB GLN 8 -5.882 -4.342 -10.925 57 2HB GLN 8 2HB GLN 8 -6.221 -5.932 -11.578 58 1HG GLN 8 1HG GLN 8 -6.697 -4.657 -13.458 59 2HG GLN 8 2HG GLN 8 -8.289 -4.671 -12.723 60 1HE2 GLN 8 1HE2 GLN 8 -8.686 -2.734 -13.892 61 2HE2 GLN 8 2HE2 GLN 8 -8.148 -1.197 -13.303 62 H GLU 9 H GLU 9 -8.536 -7.627 -10.611 63 HA GLU 9 HA GLU 9 -8.233 -8.623 -8.094 64 1HB GLU 9 1HB GLU 9 -9.401 -9.685 -10.097 65 2HB GLU 9 2HB GLU 9 -7.828 -10.203 -10.669 66 1HG GLU 9 1HG GLU 9 -7.979 -10.953 -7.905 67 2HG GLU 9 2HG GLU 9 -9.507 -11.412 -8.631 68 H GLU 10 H GLU 10 -5.847 -8.427 -10.788 69 HA GLU 10 HA GLU 10 -3.899 -9.987 -9.635 70 1HB GLU 10 1HB GLU 10 -4.171 -8.639 -11.995 71 2HB GLU 10 2HB GLU 10 -3.007 -7.599 -11.197 72 1HG GLU 10 1HG GLU 10 -1.844 -9.969 -10.619 73 2HG GLU 10 2HG GLU 10 -2.717 -10.472 -12.053 74 H PHE 11 H PHE 11 -4.801 -6.565 -9.118 75 HA PHE 11 HA PHE 11 -2.469 -5.945 -7.620 76 1HB PHE 11 1HB PHE 11 -4.625 -4.630 -8.853 77 2HB PHE 11 2HB PHE 11 -5.041 -4.470 -7.159 78 HD1 PHE 11 HD1 PHE 11 -3.534 -3.240 -5.625 79 HD2 PHE 11 HD2 PHE 11 -2.800 -3.403 -9.802 80 HE1 PHE 11 HE1 PHE 11 -1.966 -1.291 -5.426 81 HE2 PHE 11 HE2 PHE 11 -1.232 -1.453 -9.602 82 HZ PHE 11 HZ PHE 11 -0.833 -0.421 -7.416 83 H LEU 12 H LEU 12 -5.610 -7.421 -6.932 84 HA LEU 12 HA LEU 12 -5.666 -6.843 -4.177 85 1HB LEU 12 1HB LEU 12 -6.988 -8.931 -5.902 86 2HB LEU 12 2HB LEU 12 -7.254 -8.838 -4.172 87 HG LEU 12 HG LEU 12 -7.877 -6.660 -6.187 88 1HD1 LEU 12 1HD1 LEU 12 -10.043 -7.857 -4.581 89 2HD1 LEU 12 2HD1 LEU 12 -9.997 -7.394 -6.299 90 3HD1 LEU 12 3HD1 LEU 12 -9.295 -8.944 -5.775 91 1HD2 LEU 12 1HD2 LEU 12 -7.251 -5.604 -4.136 92 2HD2 LEU 12 2HD2 LEU 12 -9.027 -5.558 -4.256 93 3HD2 LEU 12 3HD2 LEU 12 -8.237 -6.738 -3.182 94 H GLU 13 H GLU 13 -4.496 -9.694 -6.084 95 HA GLU 13 HA GLU 13 -3.762 -11.228 -3.949 96 1HB GLU 13 1HB GLU 13 -3.739 -11.623 -6.586 97 2HB GLU 13 2HB GLU 13 -2.049 -11.185 -6.435 98 1HG GLU 13 1HG GLU 13 -1.878 -13.474 -6.070 99 2HG GLU 13 2HG GLU 13 -2.095 -12.938 -4.416 100 H LEU 14 H LEU 14 -2.131 -8.435 -5.452 101 HA LEU 14 HA LEU 14 0.408 -8.797 -4.409 102 1HB LEU 14 1HB LEU 14 -1.129 -6.272 -5.028 103 2HB LEU 14 2HB LEU 14 0.585 -6.322 -4.663 104 HG LEU 14 HG LEU 14 -0.871 -7.157 -7.123 105 1HD1 LEU 14 1HD1 LEU 14 1.439 -5.478 -6.354 106 2HD1 LEU 14 2HD1 LEU 14 1.601 -6.363 -7.890 107 3HD1 LEU 14 3HD1 LEU 14 0.227 -5.260 -7.640 108 1HD2 LEU 14 1HD2 LEU 14 1.197 -8.515 -7.784 109 2HD2 LEU 14 2HD2 LEU 14 1.541 -8.611 -6.041 110 3HD2 LEU 14 3HD2 LEU 14 0.022 -9.279 -6.686 111 H ILE 15 H ILE 15 -2.531 -7.258 -2.983 112 HA ILE 15 HA ILE 15 -1.319 -6.322 -0.672 113 HB ILE 15 HB ILE 15 -4.033 -6.848 -1.652 114 1HG1 ILE 15 1HG1 ILE 15 -4.209 -4.604 -0.205 115 2HG1 ILE 15 2HG1 ILE 15 -2.467 -4.637 -0.397 116 1HG2 ILE 15 1HG2 ILE 15 -4.889 -6.385 0.775 117 2HG2 ILE 15 2HG2 ILE 15 -4.527 -8.047 0.252 118 3HG2 ILE 15 3HG2 ILE 15 -3.357 -7.155 1.254 119 1HD1 ILE 15 1HD1 ILE 15 -2.678 -4.752 -2.841 120 2HD1 ILE 15 2HD1 ILE 15 -4.448 -4.885 -2.707 121 3HD1 ILE 15 3HD1 ILE 15 -3.631 -3.377 -2.232 122 H LYS 16 H LYS 16 -2.541 -9.564 -1.577 123 HA LYS 16 HA LYS 16 -2.383 -10.647 1.015 124 1HB LYS 16 1HB LYS 16 -3.166 -11.484 -1.588 125 2HB LYS 16 2HB LYS 16 -1.976 -12.636 -1.019 126 1HG LYS 16 1HG LYS 16 -3.251 -12.905 1.117 127 2HG LYS 16 2HG LYS 16 -4.440 -11.746 0.555 128 1HD LYS 16 1HD LYS 16 -3.797 -14.183 -1.134 129 2HD LYS 16 2HD LYS 16 -4.882 -14.334 0.234 130 1HE LYS 16 1HE LYS 16 -6.363 -12.583 -0.698 131 2HE LYS 16 2HE LYS 16 -5.248 -12.302 -2.020 132 1HZ LYS 16 1HZ LYS 16 -6.384 -13.855 -3.071 133 2HZ LYS 16 2HZ LYS 16 -5.713 -14.969 -2.084 134 3HZ LYS 16 3HZ LYS 16 -7.179 -14.342 -1.730 135 H LEU 17 H LEU 17 -0.013 -9.959 -1.519 136 HA LEU 17 HA LEU 17 1.976 -11.642 -0.276 137 1HB LEU 17 1HB LEU 17 1.866 -9.881 -2.703 138 2HB LEU 17 2HB LEU 17 3.406 -10.436 -2.078 139 HG LEU 17 HG LEU 17 1.520 -12.640 -2.343 140 1HD1 LEU 17 1HD1 LEU 17 2.305 -11.621 -5.027 141 2HD1 LEU 17 2HD1 LEU 17 0.901 -12.594 -4.526 142 3HD1 LEU 17 3HD1 LEU 17 0.922 -10.840 -4.222 143 1HD2 LEU 17 1HD2 LEU 17 4.109 -12.259 -3.840 144 2HD2 LEU 17 2HD2 LEU 17 4.076 -12.632 -2.100 145 3HD2 LEU 17 3HD2 LEU 17 3.350 -13.764 -3.266 146 H ARG 18 H ARG 18 0.691 -8.439 0.057 147 HA ARG 18 HA ARG 18 3.136 -7.363 1.054 148 1HB ARG 18 1HB ARG 18 0.272 -6.301 0.954 149 2HB ARG 18 2HB ARG 18 1.593 -5.382 1.647 150 1HG ARG 18 1HG ARG 18 2.605 -4.996 -0.413 151 2HG ARG 18 2HG ARG 18 2.056 -6.515 -1.095 152 1HD ARG 18 1HD ARG 18 0.094 -5.605 -1.875 153 2HD ARG 18 2HD ARG 18 -0.163 -4.657 -0.424 154 HE ARG 18 HE ARG 18 2.067 -3.644 -2.004 155 1HH1 ARG 18 2HH2 ARG 18 -1.438 -3.621 -1.700 156 2HH1 ARG 18 1HH2 ARG 18 -1.626 -2.101 -2.509 157 1HH2 ARG 18 2HH1 ARG 18 1.820 -1.639 -3.071 158 2HH2 ARG 18 1HH1 ARG 18 0.239 -0.966 -3.295 159 H LYS 19 H LYS 19 1.049 -9.618 2.252 160 HA LYS 19 HA LYS 19 0.531 -8.572 4.847 161 1HB LYS 19 1HB LYS 19 -0.775 -10.364 3.559 162 2HB LYS 19 2HB LYS 19 0.493 -11.480 4.022 163 1HG LYS 19 1HG LYS 19 -0.608 -9.792 6.235 164 2HG LYS 19 2HG LYS 19 -1.719 -10.966 5.558 165 1HD LYS 19 1HD LYS 19 1.104 -11.776 6.345 166 2HD LYS 19 2HD LYS 19 -0.173 -11.704 7.543 167 1HE LYS 19 1HE LYS 19 -1.243 -13.108 5.276 168 2HE LYS 19 2HE LYS 19 0.349 -13.775 5.579 169 1HZ LYS 19 1HZ LYS 19 -0.915 -14.955 7.019 170 2HZ LYS 19 2HZ LYS 19 -0.493 -13.731 8.015 171 3HZ LYS 19 3HZ LYS 19 -1.971 -13.745 7.319 172 H LYS 20 H LYS 20 3.356 -9.616 3.265 173 HA LYS 20 HA LYS 20 4.621 -10.045 5.874 174 1HB LYS 20 1HB LYS 20 4.250 -12.043 3.957 175 2HB LYS 20 2HB LYS 20 5.905 -11.523 3.712 176 1HG LYS 20 1HG LYS 20 6.581 -12.156 5.863 177 2HG LYS 20 2HG LYS 20 4.987 -11.924 6.553 178 1HD LYS 20 1HD LYS 20 4.156 -13.979 5.561 179 2HD LYS 20 2HD LYS 20 5.577 -14.144 4.549 180 1HE LYS 20 1HE LYS 20 5.958 -15.665 6.344 181 2HE LYS 20 2HE LYS 20 6.952 -14.278 6.740 182 1HZ LYS 20 1HZ LYS 20 4.774 -15.332 8.157 183 2HZ LYS 20 2HZ LYS 20 5.845 -14.191 8.625 184 3HZ LYS 20 3HZ LYS 20 4.494 -13.760 7.815 185 H LYS 21 H LYS 21 4.190 -7.929 3.467 186 HA LYS 21 HA LYS 21 7.008 -7.108 3.535 187 1HB LYS 21 1HB LYS 21 5.098 -7.104 1.189 188 2HB LYS 21 2HB LYS 21 6.541 -6.112 1.231 189 1HG LYS 21 1HG LYS 21 7.985 -7.942 1.107 190 2HG LYS 21 2HG LYS 21 6.872 -9.019 1.929 191 1HD LYS 21 1HD LYS 21 5.634 -9.464 -0.022 192 2HD LYS 21 2HD LYS 21 6.077 -7.949 -0.781 193 1HE LYS 21 1HE LYS 21 8.229 -8.736 -1.409 194 2HE LYS 21 2HE LYS 21 8.226 -10.010 -0.205 195 1HZ LYS 21 1HZ LYS 21 6.798 -9.918 -2.745 196 2HZ LYS 21 2HZ LYS 21 7.750 -11.101 -2.143 197 3HZ LYS 21 3HZ LYS 21 6.248 -10.877 -1.542 198 H ILE 22 H ILE 22 4.964 -5.028 1.755 199 HA ILE 22 HA ILE 22 3.764 -3.640 3.903 200 HB ILE 22 HB ILE 22 6.535 -3.062 3.374 201 1HG1 ILE 22 1HG1 ILE 22 5.708 -3.333 5.600 202 2HG1 ILE 22 2HG1 ILE 22 6.242 -1.673 5.422 203 1HG2 ILE 22 1HG2 ILE 22 4.746 -0.633 3.195 204 2HG2 ILE 22 2HG2 ILE 22 6.514 -0.729 3.007 205 3HG2 ILE 22 3HG2 ILE 22 5.448 -1.430 1.767 206 1HD1 ILE 22 1HD1 ILE 22 3.719 -1.212 4.750 207 2HD1 ILE 22 2HD1 ILE 22 3.424 -2.751 5.595 208 3HD1 ILE 22 3HD1 ILE 22 4.163 -1.385 6.465 209 H GLU 23 H GLU 23 3.019 -1.348 3.012 210 HA GLU 23 HA GLU 23 2.706 -1.480 0.144 211 1HB GLU 23 1HB GLU 23 0.726 -2.652 0.799 212 2HB GLU 23 2HB GLU 23 0.424 -1.570 2.144 213 1HG GLU 23 1HG GLU 23 0.560 -0.128 -0.427 214 2HG GLU 23 2HG GLU 23 -0.683 -1.364 -0.430 215 H GLY 24 H GLY 24 3.351 0.496 -0.585 216 1HA GLY 24 1HA GLY 24 3.333 2.767 1.217 217 2HA GLY 24 2HA GLY 24 4.022 2.676 -0.391 218 H ARG 25 H ARG 25 2.668 4.959 0.126 219 HA ARG 25 HA ARG 25 0.991 5.312 -1.850 220 1HB ARG 25 1HB ARG 25 -0.405 3.780 0.266 221 2HB ARG 25 2HB ARG 25 -1.257 5.251 -0.163 222 1HG ARG 25 1HG ARG 25 -0.342 4.012 -2.608 223 2HG ARG 25 2HG ARG 25 -1.116 2.776 -1.636 224 1HD ARG 25 1HD ARG 25 -3.206 3.818 -1.709 225 2HD ARG 25 2HD ARG 25 -2.525 5.429 -1.821 226 HE ARG 25 HE ARG 25 -2.609 5.243 -4.142 227 1HH1 ARG 25 2HH2 ARG 25 -2.546 2.006 -2.765 228 2HH1 ARG 25 1HH2 ARG 25 -2.732 1.213 -4.294 229 1HH2 ARG 25 2HH1 ARG 25 -2.855 4.198 -6.160 230 2HH2 ARG 25 1HH1 ARG 25 -2.909 2.469 -6.238 231 H LEU 26 H LEU 26 1.539 7.487 -1.811 232 HA LEU 26 HA LEU 26 2.147 9.045 0.272 233 1HB LEU 26 1HB LEU 26 2.440 10.377 -1.453 234 2HB LEU 26 2HB LEU 26 1.381 9.403 -2.453 235 HG LEU 26 HG LEU 26 -0.554 10.705 -1.312 236 1HD1 LEU 26 1HD1 LEU 26 -0.118 12.782 -0.332 237 2HD1 LEU 26 2HD1 LEU 26 1.083 11.692 0.402 238 3HD1 LEU 26 3HD1 LEU 26 1.569 12.805 -0.899 239 1HD2 LEU 26 1HD2 LEU 26 1.259 12.207 -3.217 240 2HD2 LEU 26 2HD2 LEU 26 0.173 10.879 -3.691 241 3HD2 LEU 26 3HD2 LEU 26 -0.502 12.385 -3.023 242 H TYR 27 H TYR 27 1.168 10.081 1.971 243 HA TYR 27 HA TYR 27 -1.311 9.184 2.845 244 1HB TYR 27 1HB TYR 27 0.858 10.558 3.826 245 2HB TYR 27 2HB TYR 27 -0.201 11.927 3.547 246 HD1 TYR 27 HD1 TYR 27 -1.146 8.503 4.712 247 HD2 TYR 27 HD2 TYR 27 -0.737 12.640 5.723 248 HE1 TYR 27 HE1 TYR 27 -2.290 8.079 6.944 249 HE2 TYR 27 HE2 TYR 27 -1.881 12.202 7.950 250 HH TYR 27 HH TYR 27 -2.339 9.089 9.159 251 H ASP 28 H ASP 28 -3.395 9.789 2.464 252 HA ASP 28 HA ASP 28 -3.731 12.315 1.048 253 1HB ASP 28 1HB ASP 28 -4.844 9.572 0.515 254 2HB ASP 28 2HB ASP 28 -5.924 10.925 0.245 255 H GLU 29 H GLU 29 -6.490 12.573 1.111 256 HA GLU 29 HA GLU 29 -6.961 13.176 3.791 257 1HB GLU 29 1HB GLU 29 -8.666 13.157 1.287 258 2HB GLU 29 2HB GLU 29 -9.397 13.495 2.843 259 1HG GLU 29 1HG GLU 29 -6.870 14.984 2.170 260 2HG GLU 29 2HG GLU 29 -8.317 15.436 1.291 261 H LYS 30 H LYS 30 -8.305 10.618 1.593 262 HA LYS 30 HA LYS 30 -9.968 9.457 3.505 263 1HB LYS 30 1HB LYS 30 -9.751 7.433 1.936 264 2HB LYS 30 2HB LYS 30 -10.432 8.912 1.290 265 1HG LYS 30 1HG LYS 30 -8.715 9.192 -0.186 266 2HG LYS 30 2HG LYS 30 -7.499 8.869 1.035 267 1HD LYS 30 1HD LYS 30 -7.139 6.947 -0.158 268 2HD LYS 30 2HD LYS 30 -8.530 6.346 0.723 269 1HE LYS 30 1HE LYS 30 -9.215 7.919 -1.713 270 2HE LYS 30 2HE LYS 30 -8.335 6.439 -2.037 271 1HZ LYS 30 1HZ LYS 30 -10.073 5.226 -1.428 272 2HZ LYS 30 2HZ LYS 30 -10.418 6.130 -0.113 273 3HZ LYS 30 3HZ LYS 30 -10.961 6.588 -1.584 274 H ARG 31 H ARG 31 -6.499 8.995 2.707 275 HA ARG 31 HA ARG 31 -6.172 6.724 4.256 276 1HB ARG 31 1HB ARG 31 -4.582 8.216 2.552 277 2HB ARG 31 2HB ARG 31 -3.858 8.610 4.098 278 1HG ARG 31 1HG ARG 31 -2.689 6.666 3.820 279 2HG ARG 31 2HG ARG 31 -4.158 5.884 4.368 280 1HD ARG 31 1HD ARG 31 -3.247 4.929 2.208 281 2HD ARG 31 2HD ARG 31 -4.904 5.486 2.084 282 HE ARG 31 HE ARG 31 -2.939 7.545 1.384 283 1HH1 ARG 31 2HH2 ARG 31 -4.845 4.846 0.174 284 2HH1 ARG 31 1HH2 ARG 31 -4.795 5.383 -1.472 285 1HH2 ARG 31 2HH1 ARG 31 -2.872 8.253 -0.788 286 2HH2 ARG 31 1HH1 ARG 31 -3.664 7.334 -2.023 287 H ARG 32 H ARG 32 -5.814 10.252 4.960 288 HA ARG 32 HA ARG 32 -4.666 10.113 7.395 289 1HB ARG 32 1HB ARG 32 -5.749 12.111 5.848 290 2HB ARG 32 2HB ARG 32 -6.926 12.068 7.146 291 1HG ARG 32 1HG ARG 32 -5.416 12.812 8.742 292 2HG ARG 32 2HG ARG 32 -4.053 12.005 7.993 293 1HD ARG 32 1HD ARG 32 -3.846 13.723 6.292 294 2HD ARG 32 2HD ARG 32 -5.398 14.422 6.708 295 HE ARG 32 HE ARG 32 -3.668 14.423 9.019 296 1HH1 ARG 32 2HH2 ARG 32 -4.189 16.078 5.957 297 2HH1 ARG 32 1HH2 ARG 32 -3.479 17.564 6.493 298 1HH2 ARG 32 2HH1 ARG 32 -2.731 16.384 9.726 299 2HH2 ARG 32 1HH1 ARG 32 -2.644 17.739 8.651 300 H GLN 33 H GLN 33 -8.096 9.577 6.473 301 HA GLN 33 HA GLN 33 -8.991 9.486 9.154 302 1HB GLN 33 1HB GLN 33 -10.159 9.554 6.554 303 2HB GLN 33 2HB GLN 33 -10.745 8.085 7.307 304 1HG GLN 33 1HG GLN 33 -11.421 9.419 9.334 305 2HG GLN 33 2HG GLN 33 -10.883 10.881 8.531 306 1HE2 GLN 33 1HE2 GLN 33 -13.361 8.576 8.908 307 2HE2 GLN 33 2HE2 GLN 33 -14.504 9.194 7.763 308 H ILE 34 H ILE 34 -7.615 7.199 6.831 309 HA ILE 34 HA ILE 34 -8.560 4.856 8.109 310 HB ILE 34 HB ILE 34 -6.336 5.409 6.151 311 1HG1 ILE 34 1HG1 ILE 34 -8.961 3.976 5.705 312 2HG1 ILE 34 2HG1 ILE 34 -8.788 5.708 5.502 313 1HG2 ILE 34 1HG2 ILE 34 -6.738 3.072 7.786 314 2HG2 ILE 34 2HG2 ILE 34 -7.007 2.677 6.072 315 3HG2 ILE 34 3HG2 ILE 34 -5.470 3.414 6.584 316 1HD1 ILE 34 1HD1 ILE 34 -6.673 4.093 4.162 317 2HD1 ILE 34 2HD1 ILE 34 -8.317 3.876 3.514 318 3HD1 ILE 34 3HD1 ILE 34 -7.586 5.498 3.560 319 H LYS 35 H LYS 35 -7.938 3.984 10.008 320 HA LYS 35 HA LYS 35 -5.235 4.641 10.939 321 1HB LYS 35 1HB LYS 35 -5.962 5.189 13.079 322 2HB LYS 35 2HB LYS 35 -7.137 5.977 12.045 323 1HG LYS 35 1HG LYS 35 -8.655 4.918 13.406 324 2HG LYS 35 2HG LYS 35 -8.371 3.563 12.331 325 1HD LYS 35 1HD LYS 35 -7.943 2.494 14.338 326 2HD LYS 35 2HD LYS 35 -6.329 3.099 14.023 327 1HE LYS 35 1HE LYS 35 -6.789 3.727 16.285 328 2HE LYS 35 2HE LYS 35 -6.983 5.204 15.361 329 1HZ LYS 35 1HZ LYS 35 -9.020 5.297 16.147 330 2HZ LYS 35 2HZ LYS 35 -9.420 3.938 15.333 331 3HZ LYS 35 3HZ LYS 35 -8.893 3.841 16.875 332 HA PRO 36 HA PRO 36 -4.910 0.406 11.696 333 1HB PRO 36 1HB PRO 36 -3.252 0.267 13.865 334 2HB PRO 36 2HB PRO 36 -2.677 0.568 12.237 335 1HG PRO 36 1HG PRO 36 -2.970 2.470 14.481 336 2HG PRO 36 2HG PRO 36 -2.023 2.638 13.016 337 1HD PRO 36 1HD PRO 36 -4.542 3.887 13.583 338 2HD PRO 36 2HD PRO 36 -3.651 3.961 12.076 339 H GLY 37 H GLY 37 -7.159 0.036 12.059 340 1HA GLY 37 1HA GLY 37 -7.711 -1.486 14.252 341 2HA GLY 37 2HA GLY 37 -8.093 0.143 14.774 342 H ASP 38 H ASP 38 -8.435 -1.531 11.563 343 HA ASP 38 HA ASP 38 -11.245 -1.620 11.832 344 1HB ASP 38 1HB ASP 38 -10.112 0.787 10.787 345 2HB ASP 38 2HB ASP 38 -10.745 -0.081 9.403 346 H VAL 39 H VAL 39 -11.893 -1.734 9.029 347 HA VAL 39 HA VAL 39 -9.926 -3.564 7.890 348 HB VAL 39 HB VAL 39 -12.866 -4.193 8.218 349 1HG1 VAL 39 1HG1 VAL 39 -12.335 -6.352 7.221 350 2HG1 VAL 39 2HG1 VAL 39 -11.877 -5.038 6.111 351 3HG1 VAL 39 3HG1 VAL 39 -10.626 -5.883 7.055 352 1HG2 VAL 39 1HG2 VAL 39 -10.497 -5.583 9.507 353 2HG2 VAL 39 2HG2 VAL 39 -11.501 -4.359 10.322 354 3HG2 VAL 39 3HG2 VAL 39 -12.227 -5.894 9.789 355 H ILE 40 H ILE 40 -10.003 -3.672 5.578 356 HA ILE 40 HA ILE 40 -11.753 -1.631 4.392 357 HB ILE 40 HB ILE 40 -8.912 -2.263 3.587 358 1HG1 ILE 40 1HG1 ILE 40 -9.303 0.414 4.580 359 2HG1 ILE 40 2HG1 ILE 40 -9.823 -0.737 5.795 360 1HG2 ILE 40 1HG2 ILE 40 -10.965 -0.284 2.596 361 2HG2 ILE 40 2HG2 ILE 40 -9.220 -0.075 2.316 362 3HG2 ILE 40 3HG2 ILE 40 -10.058 -1.509 1.677 363 1HD1 ILE 40 1HD1 ILE 40 -7.394 -0.208 5.993 364 2HD1 ILE 40 2HD1 ILE 40 -7.663 -1.932 5.642 365 3HD1 ILE 40 3HD1 ILE 40 -7.136 -0.832 4.346 366 H SER 41 H SER 41 -13.256 -2.592 3.142 367 HA SER 41 HA SER 41 -12.663 -5.216 2.127 368 1HB SER 41 1HB SER 41 -15.244 -3.725 1.611 369 2HB SER 41 2HB SER 41 -14.991 -5.450 1.779 370 HG SER 41 HG SER 41 -14.481 -5.051 4.074 371 H PHE 42 H PHE 42 -12.103 -5.640 0.005 372 HA PHE 42 HA PHE 42 -12.165 -3.344 -1.812 373 1HB PHE 42 1HB PHE 42 -10.542 -5.928 -1.532 374 2HB PHE 42 2HB PHE 42 -10.507 -5.026 -3.034 375 HD1 PHE 42 HD1 PHE 42 -8.682 -5.592 -0.232 376 HD2 PHE 42 HD2 PHE 42 -10.212 -2.315 -2.453 377 HE1 PHE 42 HE1 PHE 42 -6.873 -4.119 0.695 378 HE2 PHE 42 HE2 PHE 42 -8.403 -0.842 -1.526 379 HZ PHE 42 HZ PHE 42 -6.755 -1.762 0.037 380 H GLU 43 H GLU 43 -13.096 -3.509 -3.879 381 HA GLU 43 HA GLU 43 -14.678 -4.141 -5.247 382 1HB GLU 43 1HB GLU 43 -13.250 -6.824 -4.993 383 2HB GLU 43 2HB GLU 43 -14.339 -6.394 -6.297 384 1HG GLU 43 1HG GLU 43 -11.984 -4.592 -5.672 385 2HG GLU 43 2HG GLU 43 -11.721 -6.063 -6.587 386 H GLY 44 H GLY 44 -15.610 -4.117 -2.578 387 1HA GLY 44 1HA GLY 44 -17.719 -4.655 -1.780 388 2HA GLY 44 2HA GLY 44 -17.754 -6.094 -2.779 389 H GLY 45 H GLY 45 -15.761 -7.697 -2.208 390 1HA GLY 45 1HA GLY 45 -14.898 -7.729 0.504 391 2HA GLY 45 2HA GLY 45 -16.274 -8.790 0.275 392 H LYS 46 H LYS 46 -13.968 -8.090 -2.360 393 HA LYS 46 HA LYS 46 -13.439 -10.885 -2.631 394 1HB LYS 46 1HB LYS 46 -13.706 -9.030 -4.454 395 2HB LYS 46 2HB LYS 46 -12.013 -8.708 -4.143 396 1HG LYS 46 1HG LYS 46 -13.000 -11.536 -4.681 397 2HG LYS 46 2HG LYS 46 -12.615 -10.447 -5.998 398 1HD LYS 46 1HD LYS 46 -10.357 -10.103 -4.541 399 2HD LYS 46 2HD LYS 46 -10.780 -11.705 -3.972 400 1HE LYS 46 1HE LYS 46 -11.005 -11.378 -6.921 401 2HE LYS 46 2HE LYS 46 -9.378 -11.168 -6.306 402 1HZ LYS 46 1HZ LYS 46 -11.111 -13.507 -6.023 403 2HZ LYS 46 2HZ LYS 46 -9.615 -13.426 -6.672 404 3HZ LYS 46 3HZ LYS 46 -9.812 -13.296 -5.057 405 H LEU 47 H LEU 47 -11.697 -7.968 -1.455 406 HA LEU 47 HA LEU 47 -9.764 -9.792 -0.239 407 1HB LEU 47 1HB LEU 47 -9.111 -8.475 -2.495 408 2HB LEU 47 2HB LEU 47 -8.707 -7.242 -1.317 409 HG LEU 47 HG LEU 47 -6.783 -8.649 -1.958 410 1HD1 LEU 47 1HD1 LEU 47 -6.162 -9.326 0.463 411 2HD1 LEU 47 2HD1 LEU 47 -6.468 -7.611 0.095 412 3HD1 LEU 47 3HD1 LEU 47 -7.721 -8.587 0.899 413 1HD2 LEU 47 1HD2 LEU 47 -6.665 -10.913 -1.743 414 2HD2 LEU 47 2HD2 LEU 47 -7.818 -10.964 -0.388 415 3HD2 LEU 47 3HD2 LEU 47 -8.410 -10.748 -2.053 416 H LYS 48 H LYS 48 -10.007 -9.530 1.910 417 HA LYS 48 HA LYS 48 -10.784 -6.865 2.844 418 1HB LYS 48 1HB LYS 48 -10.910 -9.442 4.420 419 2HB LYS 48 2HB LYS 48 -11.711 -7.921 4.761 420 1HG LYS 48 1HG LYS 48 -12.250 -9.452 2.185 421 2HG LYS 48 2HG LYS 48 -13.122 -9.816 3.661 422 1HD LYS 48 1HD LYS 48 -13.346 -7.057 3.574 423 2HD LYS 48 2HD LYS 48 -13.342 -7.450 1.866 424 1HE LYS 48 1HE LYS 48 -15.644 -7.539 2.522 425 2HE LYS 48 2HE LYS 48 -15.146 -9.213 2.381 426 1HZ LYS 48 1HZ LYS 48 -16.213 -8.030 4.578 427 2HZ LYS 48 2HZ LYS 48 -15.524 -9.509 4.518 428 3HZ LYS 48 3HZ LYS 48 -14.638 -8.213 4.968 429 H VAL 49 H VAL 49 -9.451 -5.664 4.145 430 HA VAL 49 HA VAL 49 -7.078 -7.005 5.203 431 HB VAL 49 HB VAL 49 -5.666 -5.176 4.425 432 1HG1 VAL 49 1HG1 VAL 49 -5.239 -6.575 2.741 433 2HG1 VAL 49 2HG1 VAL 49 -6.915 -7.173 2.755 434 3HG1 VAL 49 3HG1 VAL 49 -6.488 -5.743 1.784 435 1HG2 VAL 49 1HG2 VAL 49 -6.584 -3.653 2.613 436 2HG2 VAL 49 2HG2 VAL 49 -8.209 -4.182 3.113 437 3HG2 VAL 49 3HG2 VAL 49 -7.156 -3.328 4.267 438 H ARG 50 H ARG 50 -6.116 -5.858 7.035 439 HA ARG 50 HA ARG 50 -7.922 -3.859 8.125 440 1HB ARG 50 1HB ARG 50 -8.511 -5.748 9.432 441 2HB ARG 50 2HB ARG 50 -6.885 -6.400 9.410 442 1HG ARG 50 1HG ARG 50 -6.198 -5.126 11.204 443 2HG ARG 50 2HG ARG 50 -7.113 -3.721 10.694 444 1HD ARG 50 1HD ARG 50 -8.310 -4.349 12.608 445 2HD ARG 50 2HD ARG 50 -9.228 -5.179 11.367 446 HE ARG 50 HE ARG 50 -7.102 -6.892 12.261 447 1HH1 ARG 50 2HH2 ARG 50 -10.178 -5.574 13.347 448 2HH1 ARG 50 1HH2 ARG 50 -10.516 -6.898 14.411 449 1HH2 ARG 50 2HH1 ARG 50 -7.547 -8.640 13.664 450 2HH2 ARG 50 1HH1 ARG 50 -9.009 -8.654 14.592 451 H VAL 51 H VAL 51 -6.798 -1.989 8.579 452 HA VAL 51 HA VAL 51 -4.104 -1.698 8.192 453 HB VAL 51 HB VAL 51 -5.945 -0.118 9.999 454 1HG1 VAL 51 1HG1 VAL 51 -4.417 1.649 9.956 455 2HG1 VAL 51 2HG1 VAL 51 -3.378 0.220 10.169 456 3HG1 VAL 51 3HG1 VAL 51 -3.528 0.980 8.566 457 1HG2 VAL 51 1HG2 VAL 51 -5.649 -0.310 7.056 458 2HG2 VAL 51 2HG2 VAL 51 -7.046 0.182 8.043 459 3HG2 VAL 51 3HG2 VAL 51 -5.734 1.340 7.718 460 H LYS 52 H LYS 52 -2.246 -1.851 9.442 461 HA LYS 52 HA LYS 52 -2.664 -3.089 12.071 462 1HB LYS 52 1HB LYS 52 -1.200 -3.979 9.847 463 2HB LYS 52 2HB LYS 52 0.009 -3.389 10.970 464 1HG LYS 52 1HG LYS 52 -1.831 -4.788 12.600 465 2HG LYS 52 2HG LYS 52 -1.694 -5.776 11.159 466 1HD LYS 52 1HD LYS 52 0.320 -6.540 11.859 467 2HD LYS 52 2HD LYS 52 0.962 -4.910 11.825 468 1HE LYS 52 1HE LYS 52 0.830 -4.678 14.100 469 2HE LYS 52 2HE LYS 52 -0.767 -5.398 14.176 470 1HZ LYS 52 1HZ LYS 52 0.499 -7.550 13.695 471 2HZ LYS 52 2HZ LYS 52 1.822 -6.734 14.194 472 3HZ LYS 52 3HZ LYS 52 0.556 -6.932 15.206 473 H ALA 53 H ALA 53 -0.789 -0.658 10.183 474 HA ALA 53 HA ALA 53 -0.721 1.112 12.369 475 1HB ALA 53 1HB ALA 53 1.872 -0.357 11.738 476 2HB ALA 53 2HB ALA 53 1.716 1.057 12.809 477 3HB ALA 53 3HB ALA 53 0.936 -0.482 13.247 478 H ILE 54 H ILE 54 0.390 3.153 11.766 479 HA ILE 54 HA ILE 54 0.702 3.309 8.848 480 HB ILE 54 HB ILE 54 -1.306 4.420 9.988 481 1HG1 ILE 54 1HG1 ILE 54 -0.296 6.648 8.553 482 2HG1 ILE 54 2HG1 ILE 54 0.397 5.222 7.806 483 1HG2 ILE 54 1HG2 ILE 54 0.650 5.521 11.613 484 2HG2 ILE 54 2HG2 ILE 54 0.218 6.850 10.511 485 3HG2 ILE 54 3HG2 ILE 54 -1.044 6.053 11.480 486 1HD1 ILE 54 1HD1 ILE 54 -2.556 5.809 8.278 487 2HD1 ILE 54 2HD1 ILE 54 -1.720 5.609 6.719 488 3HD1 ILE 54 3HD1 ILE 54 -1.955 4.206 7.789 489 H ARG 55 H ARG 55 2.444 4.533 8.011 490 HA ARG 55 HA ARG 55 4.286 5.523 10.014 491 1HB ARG 55 1HB ARG 55 5.192 3.834 7.633 492 2HB ARG 55 2HB ARG 55 6.196 4.421 8.944 493 1HG ARG 55 1HG ARG 55 4.136 3.017 10.258 494 2HG ARG 55 2HG ARG 55 4.467 2.039 8.842 495 1HD ARG 55 1HD ARG 55 6.640 1.534 9.516 496 2HD ARG 55 2HD ARG 55 6.861 3.064 10.340 497 HE ARG 55 HE ARG 55 5.954 0.627 11.546 498 1HH1 ARG 55 2HH2 ARG 55 5.297 4.083 11.600 499 2HH1 ARG 55 1HH2 ARG 55 4.709 4.076 13.229 500 1HH2 ARG 55 2HH1 ARG 55 5.178 0.616 13.696 501 2HH2 ARG 55 1HH1 ARG 55 4.641 2.090 14.429 502 H VAL 56 H VAL 56 6.008 6.990 8.984 503 HA VAL 56 HA VAL 56 5.133 8.052 6.402 504 HB VAL 56 HB VAL 56 5.833 9.815 8.745 505 1HG1 VAL 56 1HG1 VAL 56 4.067 10.813 6.614 506 2HG1 VAL 56 2HG1 VAL 56 5.505 11.553 7.356 507 3HG1 VAL 56 3HG1 VAL 56 5.693 10.357 6.051 508 1HG2 VAL 56 1HG2 VAL 56 3.107 8.817 7.875 509 2HG2 VAL 56 2HG2 VAL 56 3.869 8.675 9.477 510 3HG2 VAL 56 3HG2 VAL 56 3.346 10.268 8.879 511 H TYR 57 H TYR 57 6.820 8.794 5.089 512 HA TYR 57 HA TYR 57 9.500 8.663 6.280 513 1HB TYR 57 1HB TYR 57 8.336 7.443 3.704 514 2HB TYR 57 2HB TYR 57 10.064 7.586 3.956 515 HD1 TYR 57 HD1 TYR 57 7.036 6.220 5.710 516 HD2 TYR 57 HD2 TYR 57 11.197 5.756 4.830 517 HE1 TYR 57 HE1 TYR 57 7.050 3.985 6.922 518 HE2 TYR 57 HE2 TYR 57 11.197 3.523 6.045 519 HH TYR 57 HH TYR 57 10.040 2.290 7.540 520 H ASN 58 H ASN 58 11.088 9.381 4.236 521 HA ASN 58 HA ASN 58 10.363 12.085 3.889 522 1HB ASN 58 1HB ASN 58 12.739 10.403 3.575 523 2HB ASN 58 2HB ASN 58 12.564 11.438 2.172 524 1HD2 ASN 58 1HD2 ASN 58 13.723 11.193 5.271 525 2HD2 ASN 58 2HD2 ASN 58 13.963 12.864 5.661 526 H SER 59 H SER 59 10.797 9.165 1.776 527 HA SER 59 HA SER 59 8.823 10.092 -0.002 528 1HB SER 59 1HB SER 59 11.374 11.106 -0.538 529 2HB SER 59 2HB SER 59 11.278 9.713 -1.597 530 HG SER 59 HG SER 59 9.309 11.836 -1.443 531 H PHE 60 H PHE 60 9.126 8.517 -2.190 532 HA PHE 60 HA PHE 60 8.692 5.952 -1.216 533 1HB PHE 60 1HB PHE 60 9.618 6.887 -3.997 534 2HB PHE 60 2HB PHE 60 8.729 5.413 -3.670 535 HD1 PHE 60 HD1 PHE 60 8.352 8.490 -5.041 536 HD2 PHE 60 HD2 PHE 60 6.493 6.035 -2.122 537 HE1 PHE 60 HE1 PHE 60 6.190 9.717 -5.386 538 HE2 PHE 60 HE2 PHE 60 4.330 7.262 -2.467 539 HZ PHE 60 HZ PHE 60 4.205 9.089 -4.095 540 H ARG 61 H ARG 61 11.624 7.540 -2.563 541 HA ARG 61 HA ARG 61 13.122 5.306 -2.981 542 1HB ARG 61 1HB ARG 61 13.673 7.770 -3.514 543 2HB ARG 61 2HB ARG 61 14.203 7.933 -1.852 544 1HG ARG 61 1HG ARG 61 16.226 7.378 -2.865 545 2HG ARG 61 2HG ARG 61 15.669 5.780 -2.410 546 1HD ARG 61 1HD ARG 61 16.338 5.574 -4.701 547 2HD ARG 61 2HD ARG 61 14.587 5.618 -4.745 548 HE ARG 61 HE ARG 61 15.200 8.272 -5.015 549 1HH1 ARG 61 2HH2 ARG 61 16.421 5.407 -6.653 550 2HH1 ARG 61 1HH2 ARG 61 16.769 6.243 -8.129 551 1HH2 ARG 61 2HH1 ARG 61 15.659 9.376 -6.962 552 2HH2 ARG 61 1HH1 ARG 61 16.332 8.516 -8.306 553 H GLU 62 H GLU 62 12.903 7.378 0.003 554 HA GLU 62 HA GLU 62 14.642 5.785 1.485 555 1HB GLU 62 1HB GLU 62 12.704 7.998 2.042 556 2HB GLU 62 2HB GLU 62 13.161 7.009 3.414 557 1HG GLU 62 1HG GLU 62 15.192 8.013 3.538 558 2HG GLU 62 2HG GLU 62 15.542 7.613 1.868 559 H MET 63 H MET 63 11.194 5.566 0.719 560 HA MET 63 HA MET 63 10.562 3.844 2.859 561 1HB MET 63 1HB MET 63 9.250 4.563 0.191 562 2HB MET 63 2HB MET 63 8.514 3.394 1.270 563 1HG MET 63 1HG MET 63 9.212 5.649 2.893 564 2HG MET 63 2HG MET 63 8.478 6.299 1.441 565 1HE MET 63 1HE MET 63 6.827 4.517 0.313 566 2HE MET 63 2HE MET 63 6.391 3.076 1.263 567 3HE MET 63 3HE MET 63 5.229 4.414 1.090 568 H LEU 64 H LEU 64 11.247 3.355 -0.670 569 HA LEU 64 HA LEU 64 11.003 0.531 -0.474 570 1HB LEU 64 1HB LEU 64 12.304 2.207 -2.623 571 2HB LEU 64 2HB LEU 64 11.806 0.532 -2.759 572 HG LEU 64 HG LEU 64 9.976 2.920 -2.385 573 1HD1 LEU 64 1HD1 LEU 64 11.205 1.939 -4.699 574 2HD1 LEU 64 2HD1 LEU 64 9.537 1.320 -4.759 575 3HD1 LEU 64 3HD1 LEU 64 9.833 3.068 -4.596 576 1HD2 LEU 64 1HD2 LEU 64 8.554 0.581 -3.172 577 2HD2 LEU 64 2HD2 LEU 64 9.531 0.179 -1.739 578 3HD2 LEU 64 3HD2 LEU 64 8.389 1.543 -1.683 579 H GLU 65 H GLU 65 13.605 2.921 -0.071 580 HA GLU 65 HA GLU 65 15.652 0.972 -0.214 581 1HB GLU 65 1HB GLU 65 15.528 3.877 0.651 582 2HB GLU 65 2HB GLU 65 16.993 2.942 0.876 583 1HG GLU 65 1HG GLU 65 16.940 2.357 -1.592 584 2HG GLU 65 2HG GLU 65 15.555 3.414 -1.777 585 H LYS 66 H LYS 66 13.840 2.661 2.410 586 HA LYS 66 HA LYS 66 15.335 1.255 4.435 587 1HB LYS 66 1HB LYS 66 14.410 3.675 4.525 588 2HB LYS 66 2HB LYS 66 12.866 2.928 4.882 589 1HG LYS 66 1HG LYS 66 13.984 1.663 6.783 590 2HG LYS 66 2HG LYS 66 15.453 2.565 6.465 591 1HD LYS 66 1HD LYS 66 12.923 4.154 6.827 592 2HD LYS 66 2HD LYS 66 13.596 3.394 8.255 593 1HE LYS 66 1HE LYS 66 15.866 4.454 7.559 594 2HE LYS 66 2HE LYS 66 14.946 5.416 6.419 595 1HZ LYS 66 1HZ LYS 66 14.489 6.752 8.088 596 2HZ LYS 66 2HZ LYS 66 13.624 5.576 8.819 597 3HZ LYS 66 3HZ LYS 66 15.205 5.769 9.178 598 H GLU 67 H GLU 67 11.803 1.489 3.590 599 HA GLU 67 HA GLU 67 11.141 -0.751 5.072 600 1HB GLU 67 1HB GLU 67 9.772 1.212 3.665 601 2HB GLU 67 2HB GLU 67 9.428 -0.218 2.712 602 1HG GLU 67 1HG GLU 67 8.908 0.168 5.693 603 2HG GLU 67 2HG GLU 67 7.708 -0.013 4.428 604 H GLY 68 H GLY 68 11.684 -0.348 1.502 605 1HA GLY 68 1HA GLY 68 13.126 -2.220 0.628 606 2HA GLY 68 2HA GLY 68 11.912 -3.288 1.304 607 H LEU 69 H LEU 69 12.913 -2.207 -1.571 608 HA LEU 69 HA LEU 69 10.664 -1.072 -2.772 609 1HB LEU 69 1HB LEU 69 12.717 -0.839 -3.855 610 2HB LEU 69 2HB LEU 69 13.078 -2.551 -3.765 611 HG LEU 69 HG LEU 69 11.198 -2.961 -5.393 612 1HD1 LEU 69 1HD1 LEU 69 11.029 0.006 -5.193 613 2HD1 LEU 69 2HD1 LEU 69 10.796 -0.732 -6.796 614 3HD1 LEU 69 3HD1 LEU 69 9.751 -1.209 -5.436 615 1HD2 LEU 69 1HD2 LEU 69 13.382 -3.090 -6.255 616 2HD2 LEU 69 2HD2 LEU 69 12.504 -2.015 -7.369 617 3HD2 LEU 69 3HD2 LEU 69 13.618 -1.329 -6.163 618 H GLU 70 H GLU 70 11.847 -4.511 -2.879 619 HA GLU 70 HA GLU 70 9.483 -5.397 -4.079 620 1HB GLU 70 1HB GLU 70 11.974 -6.585 -3.003 621 2HB GLU 70 2HB GLU 70 10.584 -7.644 -2.871 622 1HG GLU 70 1HG GLU 70 10.107 -7.349 -5.298 623 2HG GLU 70 2HG GLU 70 11.459 -6.243 -5.443 624 H ASN 71 H ASN 71 10.161 -4.356 -0.896 625 HA ASN 71 HA ASN 71 8.262 -6.155 0.303 626 1HB ASN 71 1HB ASN 71 10.022 -3.902 1.382 627 2HB ASN 71 2HB ASN 71 8.827 -4.697 2.388 628 1HD2 ASN 71 1HD2 ASN 71 10.962 -5.945 -0.166 629 2HD2 ASN 71 2HD2 ASN 71 11.798 -7.119 0.795 630 H VAL 72 H VAL 72 7.981 -3.595 -1.702 631 HA VAL 72 HA VAL 72 5.610 -2.579 -0.317 632 HB VAL 72 HB VAL 72 7.753 -0.944 -1.687 633 1HG1 VAL 72 1HG1 VAL 72 6.408 0.974 -1.482 634 2HG1 VAL 72 2HG1 VAL 72 5.304 -0.272 -2.114 635 3HG1 VAL 72 3HG1 VAL 72 5.259 0.165 -0.389 636 1HG2 VAL 72 1HG2 VAL 72 6.877 -0.250 1.044 637 2HG2 VAL 72 2HG2 VAL 72 7.701 -1.822 0.906 638 3HG2 VAL 72 3HG2 VAL 72 8.512 -0.339 0.347 639 H LEU 73 H LEU 73 7.496 -2.666 -3.419 640 HA LEU 73 HA LEU 73 4.913 -3.018 -4.776 641 1HB LEU 73 1HB LEU 73 6.395 -0.864 -5.094 642 2HB LEU 73 2HB LEU 73 7.315 -1.904 -6.163 643 HG LEU 73 HG LEU 73 4.719 -2.344 -7.003 644 1HD1 LEU 73 1HD1 LEU 73 4.732 0.603 -6.992 645 2HD1 LEU 73 2HD1 LEU 73 3.389 -0.549 -6.800 646 3HD1 LEU 73 3HD1 LEU 73 4.427 -0.152 -5.409 647 1HD2 LEU 73 1HD2 LEU 73 7.033 -0.725 -7.969 648 2HD2 LEU 73 2HD2 LEU 73 6.243 -2.149 -8.688 649 3HD2 LEU 73 3HD2 LEU 73 5.472 -0.549 -8.806 650 HA PRO 74 HA PRO 74 7.033 -6.850 -5.472 651 1HB PRO 74 1HB PRO 74 4.794 -8.407 -5.652 652 2HB PRO 74 2HB PRO 74 5.632 -8.104 -4.143 653 1HG PRO 74 1HG PRO 74 3.079 -6.965 -5.106 654 2HG PRO 74 2HG PRO 74 3.712 -7.016 -3.472 655 1HD PRO 74 1HD PRO 74 3.667 -4.746 -5.225 656 2HD PRO 74 2HD PRO 74 4.403 -4.830 -3.637 657 H GLY 75 H GLY 75 8.012 -7.026 -7.380 658 1HA GLY 75 1HA GLY 75 7.606 -8.020 -9.573 659 2HA GLY 75 2HA GLY 75 6.180 -7.010 -9.705 660 H VAL 76 H VAL 76 7.646 -4.712 -8.281 661 HA VAL 76 HA VAL 76 8.285 -3.157 -10.357 662 HB VAL 76 HB VAL 76 8.146 -2.368 -8.093 663 1HG1 VAL 76 1HG1 VAL 76 9.546 -4.504 -7.304 664 2HG1 VAL 76 2HG1 VAL 76 10.876 -3.321 -7.348 665 3HG1 VAL 76 3HG1 VAL 76 9.448 -3.017 -6.330 666 1HG2 VAL 76 1HG2 VAL 76 10.980 -1.659 -8.622 667 2HG2 VAL 76 2HG2 VAL 76 9.840 -1.383 -9.961 668 3HG2 VAL 76 3HG2 VAL 76 9.558 -0.616 -8.380 669 H LYS 77 H LYS 77 10.193 -2.553 -11.535 670 HA LYS 77 HA LYS 77 11.932 -4.820 -11.966 671 1HB LYS 77 1HB LYS 77 11.717 -2.156 -13.401 672 2HB LYS 77 2HB LYS 77 12.723 -3.501 -13.900 673 1HG LYS 77 1HG LYS 77 10.397 -4.849 -13.712 674 2HG LYS 77 2HG LYS 77 9.718 -3.251 -13.953 675 1HD LYS 77 1HD LYS 77 11.646 -3.241 -15.905 676 2HD LYS 77 2HD LYS 77 11.286 -4.955 -15.849 677 1HE LYS 77 1HE LYS 77 9.081 -4.669 -16.576 678 2HE LYS 77 2HE LYS 77 8.942 -3.065 -15.882 679 1HZ LYS 77 1HZ LYS 77 9.560 -3.700 -18.475 680 2HZ LYS 77 2HZ LYS 77 9.547 -2.212 -17.802 681 3HZ LYS 77 3HZ LYS 77 10.933 -3.075 -17.848 682 H SER 78 H SER 78 11.989 -1.536 -10.566 683 HA SER 78 HA SER 78 14.305 -2.192 -9.122 684 1HB SER 78 1HB SER 78 14.576 -0.386 -11.537 685 2HB SER 78 2HB SER 78 15.589 -0.113 -10.133 686 HG SER 78 HG SER 78 16.222 -1.717 -12.025 687 H ILE 79 H ILE 79 15.061 -0.129 -7.823 688 HA ILE 79 HA ILE 79 12.858 0.926 -6.532 689 HB ILE 79 HB ILE 79 15.722 1.868 -6.669 690 1HG1 ILE 79 1HG1 ILE 79 14.240 0.104 -4.698 691 2HG1 ILE 79 2HG1 ILE 79 15.476 -0.405 -5.830 692 1HG2 ILE 79 1HG2 ILE 79 14.300 2.588 -4.250 693 2HG2 ILE 79 2HG2 ILE 79 15.263 3.598 -5.354 694 3HG2 ILE 79 3HG2 ILE 79 13.538 3.311 -5.687 695 1HD1 ILE 79 1HD1 ILE 79 16.111 0.152 -3.312 696 2HD1 ILE 79 2HD1 ILE 79 17.207 0.621 -4.634 697 3HD1 ILE 79 3HD1 ILE 79 16.123 1.831 -3.905 698 H GLU 80 H GLU 80 14.879 2.268 -9.202 699 HA GLU 80 HA GLU 80 13.660 4.754 -9.224 700 1HB GLU 80 1HB GLU 80 15.545 3.248 -10.857 701 2HB GLU 80 2HB GLU 80 14.442 4.137 -11.889 702 1HG GLU 80 1HG GLU 80 15.316 5.781 -9.617 703 2HG GLU 80 2HG GLU 80 16.690 5.176 -10.521 704 H GLU 81 H GLU 81 12.883 1.662 -10.908 705 HA GLU 81 HA GLU 81 10.895 2.732 -12.526 706 1HB GLU 81 1HB GLU 81 11.833 0.038 -11.705 707 2HB GLU 81 2HB GLU 81 10.139 0.094 -12.149 708 1HG GLU 81 1HG GLU 81 11.644 1.663 -14.067 709 2HG GLU 81 2HG GLU 81 12.425 0.104 -13.889 710 H GLY 82 H GLY 82 10.894 1.430 -9.182 711 1HA GLY 82 1HA GLY 82 8.139 1.200 -8.799 712 2HA GLY 82 2HA GLY 82 9.344 1.474 -7.557 713 H ILE 83 H ILE 83 10.392 3.982 -8.158 714 HA ILE 83 HA ILE 83 8.494 5.682 -7.089 715 HB ILE 83 HB ILE 83 11.147 5.989 -8.407 716 1HG1 ILE 83 1HG1 ILE 83 10.825 7.369 -5.917 717 2HG1 ILE 83 2HG1 ILE 83 10.117 5.774 -5.755 718 1HG2 ILE 83 1HG2 ILE 83 9.368 8.336 -7.689 719 2HG2 ILE 83 2HG2 ILE 83 11.083 8.419 -8.159 720 3HG2 ILE 83 3HG2 ILE 83 9.865 7.858 -9.329 721 1HD1 ILE 83 1HD1 ILE 83 12.734 6.173 -5.372 722 2HD1 ILE 83 2HD1 ILE 83 12.137 4.675 -6.125 723 3HD1 ILE 83 3HD1 ILE 83 12.784 5.985 -7.141 724 H GLN 84 H GLN 84 9.409 5.026 -10.508 725 HA GLN 84 HA GLN 84 7.966 7.070 -11.637 726 1HB GLN 84 1HB GLN 84 9.193 4.537 -12.511 727 2HB GLN 84 2HB GLN 84 7.787 4.959 -13.469 728 1HG GLN 84 1HG GLN 84 9.815 5.954 -14.459 729 2HG GLN 84 2HG GLN 84 8.736 7.218 -13.903 730 1HE2 GLN 84 1HE2 GLN 84 11.068 8.144 -14.230 731 2HE2 GLN 84 2HE2 GLN 84 12.010 8.311 -12.785 732 H VAL 85 H VAL 85 6.956 3.823 -10.498 733 HA VAL 85 HA VAL 85 4.405 3.859 -11.668 734 HB VAL 85 HB VAL 85 5.667 2.407 -9.352 735 1HG1 VAL 85 1HG1 VAL 85 3.224 2.739 -8.910 736 2HG1 VAL 85 2HG1 VAL 85 2.880 1.888 -10.435 737 3HG1 VAL 85 3HG1 VAL 85 3.702 1.035 -9.106 738 1HG2 VAL 85 1HG2 VAL 85 5.563 0.484 -10.838 739 2HG2 VAL 85 2HG2 VAL 85 4.696 1.442 -12.063 740 3HG2 VAL 85 3HG2 VAL 85 6.384 1.836 -11.656 741 H TYR 86 H TYR 86 5.720 5.054 -8.538 742 HA TYR 86 HA TYR 86 3.148 5.779 -7.542 743 1HB TYR 86 1HB TYR 86 6.016 6.694 -6.875 744 2HB TYR 86 2HB TYR 86 4.638 6.872 -5.807 745 HD1 TYR 86 HD1 TYR 86 3.452 4.058 -6.431 746 HD2 TYR 86 HD2 TYR 86 7.366 5.409 -5.356 747 HE1 TYR 86 HE1 TYR 86 3.960 1.789 -5.403 748 HE2 TYR 86 HE2 TYR 86 7.862 3.135 -4.331 749 HH TYR 86 HH TYR 86 6.706 1.280 -3.428 750 H ARG 87 H ARG 87 5.565 7.261 -9.645 751 HA ARG 87 HA ARG 87 4.719 9.900 -9.140 752 1HB ARG 87 1HB ARG 87 6.977 9.440 -10.011 753 2HB ARG 87 2HB ARG 87 6.317 8.652 -11.430 754 1HG ARG 87 1HG ARG 87 7.010 10.940 -12.006 755 2HG ARG 87 2HG ARG 87 5.269 10.800 -12.149 756 1HD ARG 87 1HD ARG 87 4.969 12.454 -10.622 757 2HD ARG 87 2HD ARG 87 5.884 11.560 -9.425 758 HE ARG 87 HE ARG 87 7.811 12.817 -9.955 759 1HH1 ARG 87 2HH2 ARG 87 5.269 13.437 -12.308 760 2HH1 ARG 87 1HH2 ARG 87 6.085 14.786 -13.025 761 1HH2 ARG 87 2HH1 ARG 87 8.888 14.598 -10.900 762 2HH2 ARG 87 1HH1 ARG 87 8.158 15.451 -12.218 763 H ARG 88 H ARG 88 4.064 7.389 -11.656 764 HA ARG 88 HA ARG 88 2.535 9.049 -13.275 765 1HB ARG 88 1HB ARG 88 2.739 6.032 -12.928 766 2HB ARG 88 2HB ARG 88 1.581 6.714 -14.052 767 1HG ARG 88 1HG ARG 88 3.555 8.047 -15.065 768 2HG ARG 88 2HG ARG 88 4.612 7.033 -14.102 769 1HD ARG 88 1HD ARG 88 2.793 5.246 -15.387 770 2HD ARG 88 2HD ARG 88 3.263 6.406 -16.614 771 HE ARG 88 HE ARG 88 4.944 4.353 -15.480 772 1HH1 ARG 88 2HH2 ARG 88 5.053 7.661 -16.675 773 2HH1 ARG 88 1HH2 ARG 88 6.725 7.581 -17.120 774 1HH2 ARG 88 2HH1 ARG 88 7.150 4.246 -16.066 775 2HH2 ARG 88 1HH1 ARG 88 7.926 5.625 -16.771 776 H PHE 89 H PHE 89 1.795 6.944 -10.462 777 HA PHE 89 HA PHE 89 -1.041 7.314 -10.772 778 1HB PHE 89 1HB PHE 89 0.926 5.972 -8.866 779 2HB PHE 89 2HB PHE 89 -0.728 6.190 -8.329 780 HD1 PHE 89 HD1 PHE 89 -2.028 4.312 -8.540 781 HD2 PHE 89 HD2 PHE 89 0.938 5.054 -11.483 782 HE1 PHE 89 HE1 PHE 89 -2.696 2.213 -9.742 783 HE2 PHE 89 HE2 PHE 89 0.269 2.954 -12.685 784 HZ PHE 89 HZ PHE 89 -1.539 1.559 -11.801 785 H TYR 90 H TYR 90 1.474 8.207 -8.297 786 HA TYR 90 HA TYR 90 -0.404 10.177 -7.234 787 1HB TYR 90 1HB TYR 90 2.404 9.600 -6.212 788 2HB TYR 90 2HB TYR 90 0.966 9.950 -5.274 789 HD1 TYR 90 HD1 TYR 90 3.057 7.675 -4.908 790 HD2 TYR 90 HD2 TYR 90 -0.794 7.828 -6.764 791 HE1 TYR 90 HE1 TYR 90 2.737 5.192 -4.464 792 HE2 TYR 90 HE2 TYR 90 -1.101 5.345 -6.315 793 HH TYR 90 HH TYR 90 1.527 3.391 -5.120 794 H ASP 91 H ASP 91 -0.067 12.380 -7.341 795 HA ASP 91 HA ASP 91 1.660 13.291 -9.326 796 1HB ASP 91 1HB ASP 91 0.520 15.018 -7.097 797 2HB ASP 91 2HB ASP 91 0.856 15.487 -8.752 798 H GLU 92 H GLU 92 3.532 14.810 -9.017 799 HA GLU 92 HA GLU 92 5.183 13.925 -6.898 800 1HB GLU 92 1HB GLU 92 6.022 14.448 -9.197 801 2HB GLU 92 2HB GLU 92 5.636 16.139 -8.948 802 1HG GLU 92 1HG GLU 92 7.308 14.905 -6.804 803 2HG GLU 92 2HG GLU 92 8.080 15.005 -8.374 804 H GLU 93 H GLU 93 3.229 16.827 -7.633 805 HA GLU 93 HA GLU 93 4.357 18.478 -5.712 806 1HB GLU 93 1HB GLU 93 2.334 18.657 -7.649 807 2HB GLU 93 2HB GLU 93 1.477 18.911 -6.142 808 1HG GLU 93 1HG GLU 93 4.031 20.405 -6.895 809 2HG GLU 93 2HG GLU 93 2.422 21.026 -7.208 810 H LYS 94 H LYS 94 1.352 16.430 -5.601 811 HA LYS 94 HA LYS 94 0.689 16.988 -2.977 812 1HB LYS 94 1HB LYS 94 -0.143 15.199 -5.066 813 2HB LYS 94 2HB LYS 94 -0.047 14.303 -3.563 814 1HG LYS 94 1HG LYS 94 -1.271 16.996 -3.272 815 2HG LYS 94 2HG LYS 94 -2.171 15.924 -4.325 816 1HD LYS 94 1HD LYS 94 -1.860 14.145 -2.407 817 2HD LYS 94 2HD LYS 94 -1.457 15.522 -1.401 818 1HE LYS 94 1HE LYS 94 -3.704 16.544 -2.425 819 2HE LYS 94 2HE LYS 94 -4.085 14.865 -2.750 820 1HZ LYS 94 1HZ LYS 94 -4.436 14.505 -0.611 821 2HZ LYS 94 2HZ LYS 94 -3.073 15.263 -0.129 822 3HZ LYS 94 3HZ LYS 94 -4.434 16.124 -0.400 823 H GLU 95 H GLU 95 2.867 14.461 -4.361 824 HA GLU 95 HA GLU 95 3.353 13.163 -1.983 825 1HB GLU 95 1HB GLU 95 3.988 12.537 -4.433 826 2HB GLU 95 2HB GLU 95 5.433 13.492 -4.171 827 1HG GLU 95 1HG GLU 95 4.704 11.430 -2.091 828 2HG GLU 95 2HG GLU 95 5.364 10.864 -3.613 829 H LYS 96 H LYS 96 5.184 15.853 -3.594 830 HA LYS 96 HA LYS 96 7.092 16.069 -1.538 831 1HB LYS 96 1HB LYS 96 6.312 17.582 -3.969 832 2HB LYS 96 2HB LYS 96 7.133 18.508 -2.729 833 1HG LYS 96 1HG LYS 96 8.543 16.033 -2.907 834 2HG LYS 96 2HG LYS 96 8.232 16.523 -4.561 835 1HD LYS 96 1HD LYS 96 9.240 18.605 -2.617 836 2HD LYS 96 2HD LYS 96 10.377 17.418 -3.224 837 1HE LYS 96 1HE LYS 96 9.856 18.044 -5.557 838 2HE LYS 96 2HE LYS 96 8.600 19.140 -5.017 839 1HZ LYS 96 1HZ LYS 96 11.108 19.635 -3.773 840 2HZ LYS 96 2HZ LYS 96 11.174 19.793 -5.397 841 3HZ LYS 96 3HZ LYS 96 10.103 20.673 -4.534 842 H LYS 97 H LYS 97 3.748 16.999 -1.799 843 HA LYS 97 HA LYS 97 3.829 19.223 -0.069 844 1HB LYS 97 1HB LYS 97 2.010 18.501 -1.742 845 2HB LYS 97 2HB LYS 97 1.458 17.402 -0.494 846 1HG LYS 97 1HG LYS 97 1.647 19.628 1.028 847 2HG LYS 97 2HG LYS 97 1.431 20.414 -0.524 848 1HD LYS 97 1HD LYS 97 -0.420 18.141 0.220 849 2HD LYS 97 2HD LYS 97 -0.676 19.709 0.959 850 1HE LYS 97 1HE LYS 97 -0.267 19.644 -2.025 851 2HE LYS 97 2HE LYS 97 -1.791 19.033 -1.412 852 1HZ LYS 97 1HZ LYS 97 -0.753 21.615 -0.518 853 2HZ LYS 97 2HZ LYS 97 -1.607 21.489 -1.904 854 3HZ LYS 97 3HZ LYS 97 -2.292 21.071 -0.482 855 H TYR 98 H TYR 98 2.775 15.787 0.497 856 HA TYR 98 HA TYR 98 3.225 16.258 3.352 857 1HB TYR 98 1HB TYR 98 1.703 14.294 1.559 858 2HB TYR 98 2HB TYR 98 2.015 13.862 3.229 859 HD1 TYR 98 HD1 TYR 98 0.306 16.336 1.046 860 HD2 TYR 98 HD2 TYR 98 0.713 14.777 5.009 861 HE1 TYR 98 HE1 TYR 98 -1.762 17.623 1.772 862 HE2 TYR 98 HE2 TYR 98 -1.357 16.070 5.722 863 HH TYR 98 HH TYR 98 -3.562 17.145 3.793 864 H GLY 99 H GLY 99 3.797 13.725 0.803 865 1HA GLY 99 1HA GLY 99 6.259 13.148 0.704 866 2HA GLY 99 2HA GLY 99 6.093 12.792 2.411 867 H VAL 100 H VAL 100 6.017 10.616 2.749 868 HA VAL 100 HA VAL 100 4.106 9.094 1.160 869 HB VAL 100 HB VAL 100 6.927 8.128 1.620 870 1HG1 VAL 100 1HG1 VAL 100 5.201 6.399 1.293 871 2HG1 VAL 100 2HG1 VAL 100 4.730 7.164 -0.244 872 3HG1 VAL 100 3HG1 VAL 100 6.351 6.450 -0.065 873 1HG2 VAL 100 1HG2 VAL 100 5.847 9.247 -0.983 874 2HG2 VAL 100 2HG2 VAL 100 6.843 10.186 0.156 875 3HG2 VAL 100 3HG2 VAL 100 7.510 8.728 -0.618 876 H VAL 101 H VAL 101 3.210 7.311 2.291 877 HA VAL 101 HA VAL 101 4.178 6.943 5.023 878 HB VAL 101 HB VAL 101 1.848 6.991 5.834 879 1HG1 VAL 101 1HG1 VAL 101 2.484 9.637 4.516 880 2HG1 VAL 101 2HG1 VAL 101 1.731 9.330 6.099 881 3HG1 VAL 101 3HG1 VAL 101 3.461 8.988 5.854 882 1HG2 VAL 101 1HG2 VAL 101 0.622 8.575 3.798 883 2HG2 VAL 101 2HG2 VAL 101 1.241 7.087 3.042 884 3HG2 VAL 101 3HG2 VAL 101 0.123 6.985 4.423 885 H ALA 102 H ALA 102 4.812 4.844 5.017 886 HA ALA 102 HA ALA 102 3.624 2.967 3.227 887 1HB ALA 102 1HB ALA 102 5.661 2.788 5.476 888 2HB ALA 102 2HB ALA 102 5.157 1.384 4.505 889 3HB ALA 102 3HB ALA 102 5.962 2.765 3.722 890 H ILE 103 H ILE 103 1.456 2.582 3.631 891 HA ILE 103 HA ILE 103 0.607 2.173 6.361 892 HB ILE 103 HB ILE 103 -0.994 1.940 3.816 893 1HG1 ILE 103 1HG1 ILE 103 -1.479 4.417 5.125 894 2HG1 ILE 103 2HG1 ILE 103 0.257 4.271 4.939 895 1HG2 ILE 103 1HG2 ILE 103 -1.960 0.962 5.898 896 2HG2 ILE 103 2HG2 ILE 103 -1.886 2.579 6.639 897 3HG2 ILE 103 3HG2 ILE 103 -2.911 2.300 5.210 898 1HD1 ILE 103 1HD1 ILE 103 -1.270 5.241 2.969 899 2HD1 ILE 103 2HD1 ILE 103 0.158 4.240 2.612 900 3HD1 ILE 103 3HD1 ILE 103 -1.467 3.514 2.587 901 H GLU 104 H GLU 104 1.111 0.263 7.303 902 HA GLU 104 HA GLU 104 1.564 -2.030 5.723 903 1HB GLU 104 1HB GLU 104 2.625 -1.382 8.001 904 2HB GLU 104 2HB GLU 104 1.154 -1.989 8.735 905 1HG GLU 104 1HG GLU 104 1.893 -4.005 6.896 906 2HG GLU 104 2HG GLU 104 3.413 -3.481 7.592 907 H ILE 105 H ILE 105 -0.012 -3.278 4.825 908 HA ILE 105 HA ILE 105 -2.563 -3.423 6.276 909 HB ILE 105 HB ILE 105 -3.413 -4.084 3.936 910 1HG1 ILE 105 1HG1 ILE 105 -2.156 -3.013 2.077 911 2HG1 ILE 105 2HG1 ILE 105 -0.829 -2.691 3.175 912 1HG2 ILE 105 1HG2 ILE 105 -2.655 -1.210 3.944 913 2HG2 ILE 105 2HG2 ILE 105 -4.243 -1.985 3.729 914 3HG2 ILE 105 3HG2 ILE 105 -3.547 -1.819 5.359 915 1HD1 ILE 105 1HD1 ILE 105 -0.141 -4.885 3.216 916 2HD1 ILE 105 2HD1 ILE 105 -1.805 -5.514 3.156 917 3HD1 ILE 105 3HD1 ILE 105 -1.011 -4.955 1.665 918 H GLU 106 H GLU 106 -3.609 -5.490 6.429 919 HA GLU 106 HA GLU 106 -2.021 -7.738 5.565 920 1HB GLU 106 1HB GLU 106 -2.402 -8.761 7.937 921 2HB GLU 106 2HB GLU 106 -1.092 -7.616 7.719 922 1HG GLU 106 1HG GLU 106 -2.016 -6.185 9.216 923 2HG GLU 106 2HG GLU 106 -3.521 -6.146 8.320 924 HA PRO 107 HA PRO 107 -6.258 -8.722 4.810 925 1HB PRO 107 1HB PRO 107 -5.809 -10.615 2.891 926 2HB PRO 107 2HB PRO 107 -5.953 -8.905 2.536 927 1HG PRO 107 1HG PRO 107 -3.521 -10.583 2.616 928 2HG PRO 107 2HG PRO 107 -3.749 -9.016 1.866 929 1HD PRO 107 1HD PRO 107 -2.399 -9.555 4.339 930 2HD PRO 107 2HD PRO 107 -2.729 -7.979 3.646 931 H LEU 108 H LEU 108 -7.428 -9.773 6.275 932 HA LEU 108 HA LEU 108 -6.251 -12.294 7.181 933 1HB LEU 108 1HB LEU 108 -8.044 -11.964 9.007 934 2HB LEU 108 2HB LEU 108 -6.564 -11.027 9.050 935 HG LEU 108 HG LEU 108 -8.838 -9.762 7.624 936 1HD1 LEU 108 1HD1 LEU 108 -10.265 -10.451 9.277 937 2HD1 LEU 108 2HD1 LEU 108 -8.980 -10.555 10.505 938 3HD1 LEU 108 3HD1 LEU 108 -9.616 -8.966 10.015 939 1HD2 LEU 108 1HD2 LEU 108 -7.662 -7.912 8.001 940 2HD2 LEU 108 2HD2 LEU 108 -7.530 -8.256 9.743 941 3HD2 LEU 108 3HD2 LEU 108 -6.362 -8.968 8.604 942 H GLU 109 H GLU 109 -7.183 -12.604 4.674 943 HA GLU 109 HA GLU 109 -9.862 -13.687 5.063 944 1HB GLU 109 1HB GLU 109 -9.495 -11.868 3.293 945 2HB GLU 109 2HB GLU 109 -8.531 -13.030 2.403 946 1HG GLU 109 1HG GLU 109 -10.433 -13.859 1.496 947 2HG GLU 109 2HG GLU 109 -10.915 -14.418 3.085 948 H TYR 110 H TYR 110 -6.495 -14.349 4.260 949 HA TYR 110 HA TYR 110 -6.775 -17.093 4.669 950 1HB TYR 110 1HB TYR 110 -7.911 -16.577 2.324 951 2HB TYR 110 2HB TYR 110 -6.286 -16.245 1.757 952 HD1 TYR 110 HD1 TYR 110 -8.202 -18.934 3.545 953 HD2 TYR 110 HD2 TYR 110 -5.070 -17.976 0.792 954 HE1 TYR 110 HE1 TYR 110 -7.855 -21.407 3.068 955 HE2 TYR 110 HE2 TYR 110 -4.733 -20.452 0.324 956 HH TYR 110 HH TYR 110 -5.125 -22.566 1.462 Start of MODEL 2 1 HA MET 1 HA MET 1 -17.124 2.440 9.790 2 1HB MET 1 1HB MET 1 -15.215 2.280 12.145 3 2HB MET 1 2HB MET 1 -14.624 2.991 10.656 4 1HG MET 1 1HG MET 1 -15.554 4.937 11.406 5 2HG MET 1 2HG MET 1 -17.092 4.244 10.930 6 1HE MET 1 1HE MET 1 -15.413 4.759 15.137 7 2HE MET 1 2HE MET 1 -14.421 4.324 13.725 8 3HE MET 1 3HE MET 1 -15.274 5.885 13.766 9 H GLU 2 H GLU 2 -16.694 1.398 7.890 10 HA GLU 2 HA GLU 2 -14.278 -0.203 7.838 11 1HB GLU 2 1HB GLU 2 -16.203 -1.771 8.110 12 2HB GLU 2 2HB GLU 2 -16.945 -1.111 6.666 13 1HG GLU 2 1HG GLU 2 -14.595 -1.710 5.548 14 2HG GLU 2 2HG GLU 2 -14.449 -2.803 6.910 15 H TRP 3 H TRP 3 -13.142 -0.110 5.841 16 HA TRP 3 HA TRP 3 -14.121 1.996 4.068 17 1HB TRP 3 1HB TRP 3 -11.375 0.746 4.152 18 2HB TRP 3 2HB TRP 3 -11.861 2.206 3.314 19 HD1 TRP 3 HD1 TRP 3 -10.292 1.171 6.494 20 HE1 TRP 3 HE1 TRP 3 -10.157 3.103 8.286 21 HE3 TRP 3 HE3 TRP 3 -13.543 4.293 4.142 22 HZ2 TRP 3 HZ2 TRP 3 -11.397 5.663 8.514 23 HZ3 TRP 3 HZ3 TRP 3 -14.027 6.490 5.216 24 HH2 TRP 3 HH2 TRP 3 -13.013 7.192 7.327 25 H GLU 4 H GLU 4 -14.365 1.613 1.806 26 HA GLU 4 HA GLU 4 -14.065 -1.170 1.017 27 1HB GLU 4 1HB GLU 4 -16.241 -0.960 -0.260 28 2HB GLU 4 2HB GLU 4 -16.421 -0.964 1.483 29 1HG GLU 4 1HG GLU 4 -16.046 1.761 0.834 30 2HG GLU 4 2HG GLU 4 -17.076 1.153 -0.447 31 H MET 5 H MET 5 -12.684 -1.255 -0.696 32 HA MET 5 HA MET 5 -12.776 1.018 -2.528 33 1HB MET 5 1HB MET 5 -10.392 -0.700 -1.639 34 2HB MET 5 2HB MET 5 -10.298 0.506 -2.907 35 1HG MET 5 1HG MET 5 -11.374 2.070 -0.973 36 2HG MET 5 2HG MET 5 -10.593 0.893 0.065 37 1HE MET 5 1HE MET 5 -8.410 3.404 0.696 38 2HE MET 5 2HE MET 5 -9.145 1.844 1.139 39 3HE MET 5 3HE MET 5 -7.456 1.905 0.580 40 H GLY 6 H GLY 6 -11.250 0.120 -4.624 41 1HA GLY 6 1HA GLY 6 -12.100 -2.580 -5.327 42 2HA GLY 6 2HA GLY 6 -12.793 -1.272 -6.265 43 H LEU 7 H LEU 7 -10.918 -3.427 -7.133 44 HA LEU 7 HA LEU 7 -9.257 -1.873 -8.745 45 1HB LEU 7 1HB LEU 7 -7.056 -2.520 -7.838 46 2HB LEU 7 2HB LEU 7 -7.938 -1.378 -6.844 47 HG LEU 7 HG LEU 7 -8.251 -4.252 -6.141 48 1HD1 LEU 7 1HD1 LEU 7 -6.101 -4.739 -5.923 49 2HD1 LEU 7 2HD1 LEU 7 -5.645 -3.124 -6.517 50 3HD1 LEU 7 3HD1 LEU 7 -5.922 -3.388 -4.778 51 1HD2 LEU 7 1HD2 LEU 7 -7.763 -3.021 -3.832 52 2HD2 LEU 7 2HD2 LEU 7 -8.255 -1.599 -4.782 53 3HD2 LEU 7 3HD2 LEU 7 -9.362 -2.982 -4.613 54 H GLN 8 H GLN 8 -7.436 -3.515 -9.724 55 HA GLN 8 HA GLN 8 -8.983 -5.561 -10.830 56 1HB GLN 8 1HB GLN 8 -6.309 -4.413 -11.181 57 2HB GLN 8 2HB GLN 8 -6.277 -6.155 -11.371 58 1HG GLN 8 1HG GLN 8 -6.743 -5.090 -13.541 59 2HG GLN 8 2HG GLN 8 -8.134 -6.024 -13.028 60 1HE2 GLN 8 1HE2 GLN 8 -9.413 -4.759 -14.421 61 2HE2 GLN 8 2HE2 GLN 8 -9.960 -3.175 -13.983 62 H GLU 9 H GLU 9 -8.502 -7.926 -10.775 63 HA GLU 9 HA GLU 9 -8.342 -8.803 -8.137 64 1HB GLU 9 1HB GLU 9 -9.617 -10.157 -9.591 65 2HB GLU 9 2HB GLU 9 -8.390 -10.154 -10.842 66 1HG GLU 9 1HG GLU 9 -6.939 -11.620 -9.522 67 2HG GLU 9 2HG GLU 9 -7.987 -11.484 -8.124 68 H GLU 10 H GLU 10 -6.018 -8.974 -10.915 69 HA GLU 10 HA GLU 10 -4.075 -10.414 -9.640 70 1HB GLU 10 1HB GLU 10 -4.383 -9.066 -12.099 71 2HB GLU 10 2HB GLU 10 -2.955 -8.342 -11.387 72 1HG GLU 10 1HG GLU 10 -2.240 -10.832 -10.876 73 2HG GLU 10 2HG GLU 10 -3.444 -11.257 -12.075 74 H PHE 11 H PHE 11 -4.925 -6.958 -9.414 75 HA PHE 11 HA PHE 11 -2.527 -6.211 -8.087 76 1HB PHE 11 1HB PHE 11 -4.769 -5.018 -9.317 77 2HB PHE 11 2HB PHE 11 -5.054 -4.677 -7.622 78 HD1 PHE 11 HD1 PHE 11 -3.353 -3.375 -6.329 79 HD2 PHE 11 HD2 PHE 11 -3.095 -3.855 -10.538 80 HE1 PHE 11 HE1 PHE 11 -1.767 -1.434 -6.453 81 HE2 PHE 11 HE2 PHE 11 -1.509 -1.913 -10.662 82 HZ PHE 11 HZ PHE 11 -0.864 -0.726 -8.618 83 H LEU 12 H LEU 12 -5.687 -7.520 -7.116 84 HA LEU 12 HA LEU 12 -5.548 -6.734 -4.418 85 1HB LEU 12 1HB LEU 12 -7.115 -8.718 -6.013 86 2HB LEU 12 2HB LEU 12 -7.155 -8.813 -4.264 87 HG LEU 12 HG LEU 12 -7.758 -6.224 -5.689 88 1HD1 LEU 12 1HD1 LEU 12 -10.090 -7.813 -4.860 89 2HD1 LEU 12 2HD1 LEU 12 -9.821 -6.827 -6.317 90 3HD1 LEU 12 3HD1 LEU 12 -9.189 -8.489 -6.239 91 1HD2 LEU 12 1HD2 LEU 12 -9.241 -6.846 -3.264 92 2HD2 LEU 12 2HD2 LEU 12 -7.481 -6.895 -3.005 93 3HD2 LEU 12 3HD2 LEU 12 -8.242 -5.429 -3.668 94 H GLU 13 H GLU 13 -4.459 -9.658 -6.226 95 HA GLU 13 HA GLU 13 -3.754 -11.170 -4.064 96 1HB GLU 13 1HB GLU 13 -3.781 -11.765 -6.580 97 2HB GLU 13 2HB GLU 13 -2.169 -11.082 -6.659 98 1HG GLU 13 1HG GLU 13 -1.216 -12.839 -5.517 99 2HG GLU 13 2HG GLU 13 -2.569 -12.998 -4.416 100 H LEU 14 H LEU 14 -2.065 -8.435 -5.625 101 HA LEU 14 HA LEU 14 0.457 -8.785 -4.578 102 1HB LEU 14 1HB LEU 14 -1.077 -6.247 -5.154 103 2HB LEU 14 2HB LEU 14 0.643 -6.315 -4.822 104 HG LEU 14 HG LEU 14 -0.867 -7.124 -7.261 105 1HD1 LEU 14 1HD1 LEU 14 0.220 -5.236 -7.809 106 2HD1 LEU 14 2HD1 LEU 14 1.435 -5.431 -6.523 107 3HD1 LEU 14 3HD1 LEU 14 1.607 -6.326 -8.053 108 1HD2 LEU 14 1HD2 LEU 14 1.029 -8.547 -8.023 109 2HD2 LEU 14 2HD2 LEU 14 1.674 -8.508 -6.364 110 3HD2 LEU 14 3HD2 LEU 14 0.089 -9.252 -6.686 111 H ILE 15 H ILE 15 -2.485 -7.308 -3.106 112 HA ILE 15 HA ILE 15 -1.245 -6.374 -0.798 113 HB ILE 15 HB ILE 15 -4.051 -7.169 -1.506 114 1HG1 ILE 15 1HG1 ILE 15 -4.222 -4.594 -0.922 115 2HG1 ILE 15 2HG1 ILE 15 -2.499 -4.618 -1.237 116 1HG2 ILE 15 1HG2 ILE 15 -4.313 -7.619 0.705 117 2HG2 ILE 15 2HG2 ILE 15 -2.933 -6.607 1.195 118 3HG2 ILE 15 3HG2 ILE 15 -4.486 -5.848 0.770 119 1HD1 ILE 15 1HD1 ILE 15 -2.799 -4.847 -3.483 120 2HD1 ILE 15 2HD1 ILE 15 -4.034 -6.111 -3.270 121 3HD1 ILE 15 3HD1 ILE 15 -4.491 -4.394 -3.169 122 H LYS 16 H LYS 16 -2.631 -9.586 -1.653 123 HA LYS 16 HA LYS 16 -2.441 -10.708 0.883 124 1HB LYS 16 1HB LYS 16 -3.111 -11.529 -1.769 125 2HB LYS 16 2HB LYS 16 -1.963 -12.688 -1.130 126 1HG LYS 16 1HG LYS 16 -3.391 -12.777 1.002 127 2HG LYS 16 2HG LYS 16 -4.589 -11.816 0.157 128 1HD LYS 16 1HD LYS 16 -3.545 -14.328 -1.166 129 2HD LYS 16 2HD LYS 16 -4.712 -14.483 0.132 130 1HE LYS 16 1HE LYS 16 -6.346 -13.124 -1.061 131 2HE LYS 16 2HE LYS 16 -5.165 -12.654 -2.268 132 1HZ LYS 16 1HZ LYS 16 -6.049 -14.369 -3.356 133 2HZ LYS 16 2HZ LYS 16 -5.053 -15.289 -2.445 134 3HZ LYS 16 3HZ LYS 16 -6.620 -15.112 -2.018 135 H LEU 17 H LEU 17 -0.007 -9.993 -1.588 136 HA LEU 17 HA LEU 17 1.960 -11.669 -0.312 137 1HB LEU 17 1HB LEU 17 1.879 -9.884 -2.716 138 2HB LEU 17 2HB LEU 17 3.423 -10.379 -2.050 139 HG LEU 17 HG LEU 17 1.551 -12.613 -2.446 140 1HD1 LEU 17 1HD1 LEU 17 1.162 -10.854 -4.376 141 2HD1 LEU 17 2HD1 LEU 17 2.682 -11.541 -4.998 142 3HD1 LEU 17 3HD1 LEU 17 1.277 -12.597 -4.718 143 1HD2 LEU 17 1HD2 LEU 17 4.404 -12.102 -3.333 144 2HD2 LEU 17 2HD2 LEU 17 3.891 -12.938 -1.848 145 3HD2 LEU 17 3HD2 LEU 17 3.539 -13.653 -3.439 146 H ARG 18 H ARG 18 0.736 -8.385 -0.123 147 HA ARG 18 HA ARG 18 3.105 -7.336 1.005 148 1HB ARG 18 1HB ARG 18 0.224 -6.311 0.931 149 2HB ARG 18 2HB ARG 18 1.553 -5.380 1.594 150 1HG ARG 18 1HG ARG 18 2.572 -5.065 -0.499 151 2HG ARG 18 2HG ARG 18 1.874 -6.520 -1.182 152 1HD ARG 18 1HD ARG 18 0.044 -5.395 -1.946 153 2HD ARG 18 2HD ARG 18 -0.234 -4.640 -0.389 154 HE ARG 18 HE ARG 18 1.912 -3.210 -1.285 155 1HH1 ARG 18 2HH2 ARG 18 -1.098 -4.119 -2.866 156 2HH1 ARG 18 1HH2 ARG 18 -1.129 -2.724 -3.893 157 1HH2 ARG 18 2HH1 ARG 18 1.871 -1.370 -2.638 158 2HH2 ARG 18 1HH1 ARG 18 0.572 -1.149 -3.762 159 H LYS 19 H LYS 19 1.030 -9.640 2.144 160 HA LYS 19 HA LYS 19 0.475 -8.648 4.750 161 1HB LYS 19 1HB LYS 19 -0.898 -10.351 3.581 162 2HB LYS 19 2HB LYS 19 0.434 -11.486 3.681 163 1HG LYS 19 1HG LYS 19 0.393 -11.357 6.161 164 2HG LYS 19 2HG LYS 19 -0.883 -10.158 6.097 165 1HD LYS 19 1HD LYS 19 -2.093 -12.146 6.462 166 2HD LYS 19 2HD LYS 19 -2.220 -11.953 4.725 167 1HE LYS 19 1HE LYS 19 -1.273 -13.996 4.457 168 2HE LYS 19 2HE LYS 19 0.212 -13.377 5.151 169 1HZ LYS 19 1HZ LYS 19 -0.278 -14.257 7.148 170 2HZ LYS 19 2HZ LYS 19 -1.895 -14.085 6.998 171 3HZ LYS 19 3HZ LYS 19 -1.132 -15.317 6.245 172 H LYS 20 H LYS 20 3.316 -9.720 3.164 173 HA LYS 20 HA LYS 20 4.564 -10.157 5.784 174 1HB LYS 20 1HB LYS 20 4.505 -11.917 3.432 175 2HB LYS 20 2HB LYS 20 6.126 -11.590 4.011 176 1HG LYS 20 1HG LYS 20 5.317 -12.176 6.364 177 2HG LYS 20 2HG LYS 20 3.794 -12.676 5.655 178 1HD LYS 20 1HD LYS 20 4.927 -14.716 5.681 179 2HD LYS 20 2HD LYS 20 5.333 -14.156 4.071 180 1HE LYS 20 1HE LYS 20 7.418 -13.034 5.241 181 2HE LYS 20 2HE LYS 20 7.065 -14.127 6.565 182 1HZ LYS 20 1HZ LYS 20 7.864 -14.777 3.843 183 2HZ LYS 20 2HZ LYS 20 8.454 -15.348 5.255 184 3HZ LYS 20 3HZ LYS 20 7.009 -15.871 4.702 185 H LYS 21 H LYS 21 4.152 -8.041 3.316 186 HA LYS 21 HA LYS 21 6.940 -7.138 3.511 187 1HB LYS 21 1HB LYS 21 5.095 -7.046 1.109 188 2HB LYS 21 2HB LYS 21 6.605 -6.164 1.218 189 1HG LYS 21 1HG LYS 21 7.917 -8.102 1.133 190 2HG LYS 21 2HG LYS 21 6.673 -9.110 1.845 191 1HD LYS 21 1HD LYS 21 5.323 -8.702 -0.345 192 2HD LYS 21 2HD LYS 21 6.815 -8.071 -1.014 193 1HE LYS 21 1HE LYS 21 7.602 -10.491 0.198 194 2HE LYS 21 2HE LYS 21 6.038 -10.867 -0.499 195 1HZ LYS 21 1HZ LYS 21 7.637 -11.214 -2.150 196 2HZ LYS 21 2HZ LYS 21 6.896 -9.821 -2.570 197 3HZ LYS 21 3HZ LYS 21 8.380 -9.783 -1.890 198 H ILE 22 H ILE 22 4.882 -5.088 1.704 199 HA ILE 22 HA ILE 22 3.612 -3.752 3.847 200 HB ILE 22 HB ILE 22 6.372 -3.084 3.334 201 1HG1 ILE 22 1HG1 ILE 22 5.569 -3.423 5.555 202 2HG1 ILE 22 2HG1 ILE 22 6.025 -1.737 5.408 203 1HG2 ILE 22 1HG2 ILE 22 6.255 -0.731 3.041 204 2HG2 ILE 22 2HG2 ILE 22 5.261 -1.459 1.756 205 3HG2 ILE 22 3HG2 ILE 22 4.481 -0.728 3.180 206 1HD1 ILE 22 1HD1 ILE 22 3.941 -1.544 6.448 207 2HD1 ILE 22 2HD1 ILE 22 3.473 -1.400 4.737 208 3HD1 ILE 22 3HD1 ILE 22 3.267 -2.949 5.589 209 H GLU 23 H GLU 23 2.770 -1.507 2.974 210 HA GLU 23 HA GLU 23 2.521 -1.598 0.098 211 1HB GLU 23 1HB GLU 23 0.580 -2.857 0.639 212 2HB GLU 23 2HB GLU 23 0.226 -1.888 2.055 213 1HG GLU 23 1HG GLU 23 -0.838 -0.244 0.840 214 2HG GLU 23 2HG GLU 23 0.292 -0.349 -0.495 215 H GLY 24 H GLY 24 3.677 0.355 -0.077 216 1HA GLY 24 1HA GLY 24 3.266 2.584 1.606 217 2HA GLY 24 2HA GLY 24 4.074 2.566 0.051 218 H ARG 25 H ARG 25 2.597 4.796 0.628 219 HA ARG 25 HA ARG 25 0.971 5.041 -1.507 220 1HB ARG 25 1HB ARG 25 -0.390 3.518 0.449 221 2HB ARG 25 2HB ARG 25 -1.052 5.130 0.637 222 1HG ARG 25 1HG ARG 25 -1.944 5.178 -1.533 223 2HG ARG 25 2HG ARG 25 -0.758 4.053 -2.165 224 1HD ARG 25 1HD ARG 25 -1.856 2.157 -1.153 225 2HD ARG 25 2HD ARG 25 -2.835 3.176 -0.116 226 HE ARG 25 HE ARG 25 -3.609 4.031 -2.598 227 1HH1 ARG 25 2HH2 ARG 25 -3.274 0.806 -1.230 228 2HH1 ARG 25 1HH2 ARG 25 -4.518 0.118 -2.219 229 1HH2 ARG 25 2HH1 ARG 25 -5.251 3.124 -3.904 230 2HH2 ARG 25 1HH1 ARG 25 -5.650 1.445 -3.751 231 H LEU 26 H LEU 26 1.281 7.227 -1.792 232 HA LEU 26 HA LEU 26 2.227 8.989 -0.020 233 1HB LEU 26 1HB LEU 26 2.141 10.189 -1.858 234 2HB LEU 26 2HB LEU 26 1.008 9.063 -2.580 235 HG LEU 26 HG LEU 26 -0.825 10.361 -1.318 236 1HD1 LEU 26 1HD1 LEU 26 -0.414 12.359 -0.325 237 2HD1 LEU 26 2HD1 LEU 26 1.163 11.591 -0.025 238 3HD1 LEU 26 3HD1 LEU 26 0.973 12.731 -1.378 239 1HD2 LEU 26 1HD2 LEU 26 -0.742 12.219 -3.098 240 2HD2 LEU 26 2HD2 LEU 26 0.725 11.398 -3.684 241 3HD2 LEU 26 3HD2 LEU 26 -0.827 10.528 -3.645 242 H TYR 27 H TYR 27 1.541 10.233 1.695 243 HA TYR 27 HA TYR 27 -0.817 9.402 3.014 244 1HB TYR 27 1HB TYR 27 1.551 10.491 3.731 245 2HB TYR 27 2HB TYR 27 0.720 12.009 3.458 246 HD1 TYR 27 HD1 TYR 27 -1.923 11.678 4.545 247 HD2 TYR 27 HD2 TYR 27 1.780 10.109 6.006 248 HE1 TYR 27 HE1 TYR 27 -2.888 11.567 6.894 249 HE2 TYR 27 HE2 TYR 27 0.802 10.003 8.350 250 HH TYR 27 HH TYR 27 -1.457 11.595 9.431 251 H ASP 28 H ASP 28 -2.630 9.789 1.646 252 HA ASP 28 HA ASP 28 -3.029 12.485 0.757 253 1HB ASP 28 1HB ASP 28 -4.961 10.132 0.587 254 2HB ASP 28 2HB ASP 28 -5.000 11.594 -0.379 255 H GLU 29 H GLU 29 -5.884 12.668 0.992 256 HA GLU 29 HA GLU 29 -6.079 13.414 3.707 257 1HB GLU 29 1HB GLU 29 -8.006 13.442 1.359 258 2HB GLU 29 2HB GLU 29 -8.526 13.915 2.964 259 1HG GLU 29 1HG GLU 29 -7.830 15.990 2.220 260 2HG GLU 29 2HG GLU 29 -6.297 15.426 2.853 261 H LYS 30 H LYS 30 -7.585 10.860 1.628 262 HA LYS 30 HA LYS 30 -9.256 9.813 3.595 263 1HB LYS 30 1HB LYS 30 -9.318 7.814 2.128 264 2HB LYS 30 2HB LYS 30 -9.603 9.316 1.271 265 1HG LYS 30 1HG LYS 30 -7.376 9.334 0.341 266 2HG LYS 30 2HG LYS 30 -6.819 8.095 1.448 267 1HD LYS 30 1HD LYS 30 -8.317 6.427 0.377 268 2HD LYS 30 2HD LYS 30 -8.957 7.660 -0.691 269 1HE LYS 30 1HE LYS 30 -6.265 7.955 -1.172 270 2HE LYS 30 2HE LYS 30 -6.324 6.246 -0.787 271 1HZ LYS 30 1HZ LYS 30 -7.392 7.623 -3.048 272 2HZ LYS 30 2HZ LYS 30 -6.932 6.063 -2.900 273 3HZ LYS 30 3HZ LYS 30 -8.419 6.527 -2.408 274 H ARG 31 H ARG 31 -5.808 9.221 2.786 275 HA ARG 31 HA ARG 31 -5.460 6.984 4.312 276 1HB ARG 31 1HB ARG 31 -3.574 9.283 3.622 277 2HB ARG 31 2HB ARG 31 -3.016 7.865 4.488 278 1HG ARG 31 1HG ARG 31 -4.497 7.653 1.832 279 2HG ARG 31 2HG ARG 31 -2.757 7.847 1.910 280 1HD ARG 31 1HD ARG 31 -2.604 5.590 2.140 281 2HD ARG 31 2HD ARG 31 -3.273 5.774 3.749 282 HE ARG 31 HE ARG 31 -5.449 5.800 1.910 283 1HH1 ARG 31 2HH2 ARG 31 -2.999 3.570 3.097 284 2HH1 ARG 31 1HH2 ARG 31 -3.971 2.161 2.833 285 1HH2 ARG 31 2HH1 ARG 31 -6.732 3.942 1.563 286 2HH2 ARG 31 1HH1 ARG 31 -6.109 2.374 1.955 287 H ARG 32 H ARG 32 -5.509 10.461 5.203 288 HA ARG 32 HA ARG 32 -4.432 10.199 7.722 289 1HB ARG 32 1HB ARG 32 -5.170 12.312 6.246 290 2HB ARG 32 2HB ARG 32 -6.648 12.193 7.180 291 1HG ARG 32 1HG ARG 32 -5.607 12.771 9.182 292 2HG ARG 32 2HG ARG 32 -4.075 12.055 8.724 293 1HD ARG 32 1HD ARG 32 -4.766 14.293 6.947 294 2HD ARG 32 2HD ARG 32 -4.751 14.800 8.624 295 HE ARG 32 HE ARG 32 -2.434 13.161 8.000 296 1HH1 ARG 32 2HH2 ARG 32 -3.740 16.415 7.708 297 2HH1 ARG 32 1HH2 ARG 32 -2.183 17.170 7.624 298 1HH2 ARG 32 2HH1 ARG 32 -0.380 14.156 7.888 299 2HH2 ARG 32 1HH1 ARG 32 -0.259 15.876 7.727 300 H GLN 33 H GLN 33 -7.797 9.856 6.484 301 HA GLN 33 HA GLN 33 -8.969 9.680 9.021 302 1HB GLN 33 1HB GLN 33 -9.798 9.554 6.242 303 2HB GLN 33 2HB GLN 33 -10.568 8.255 7.130 304 1HG GLN 33 1HG GLN 33 -11.462 9.832 8.787 305 2HG GLN 33 2HG GLN 33 -10.555 11.156 8.082 306 1HE2 GLN 33 1HE2 GLN 33 -13.293 9.058 7.819 307 2HE2 GLN 33 2HE2 GLN 33 -14.107 9.849 6.511 308 H ILE 34 H ILE 34 -7.302 7.392 6.897 309 HA ILE 34 HA ILE 34 -8.360 5.042 8.053 310 HB ILE 34 HB ILE 34 -5.882 5.622 6.436 311 1HG1 ILE 34 1HG1 ILE 34 -8.457 4.236 5.645 312 2HG1 ILE 34 2HG1 ILE 34 -8.148 5.940 5.382 313 1HG2 ILE 34 1HG2 ILE 34 -6.952 2.976 7.440 314 2HG2 ILE 34 2HG2 ILE 34 -5.811 3.133 6.083 315 3HG2 ILE 34 3HG2 ILE 34 -5.342 3.685 7.709 316 1HD1 ILE 34 1HD1 ILE 34 -5.883 4.338 4.453 317 2HD1 ILE 34 2HD1 ILE 34 -7.401 3.811 3.688 318 3HD1 ILE 34 3HD1 ILE 34 -6.879 5.508 3.554 319 H LYS 35 H LYS 35 -7.547 3.696 9.693 320 HA LYS 35 HA LYS 35 -5.180 4.592 11.103 321 1HB LYS 35 1HB LYS 35 -6.156 5.132 13.109 322 2HB LYS 35 2HB LYS 35 -7.345 5.768 11.991 323 1HG LYS 35 1HG LYS 35 -8.866 4.509 13.125 324 2HG LYS 35 2HG LYS 35 -8.189 3.133 12.278 325 1HD LYS 35 1HD LYS 35 -6.619 2.697 14.124 326 2HD LYS 35 2HD LYS 35 -7.117 4.163 14.946 327 1HE LYS 35 1HE LYS 35 -9.557 2.963 14.666 328 2HE LYS 35 2HE LYS 35 -8.543 1.534 14.714 329 1HZ LYS 35 1HZ LYS 35 -9.353 3.003 16.845 330 2HZ LYS 35 2HZ LYS 35 -8.209 1.838 16.859 331 3HZ LYS 35 3HZ LYS 35 -7.777 3.403 16.684 332 HA PRO 36 HA PRO 36 -4.795 0.349 11.787 333 1HB PRO 36 1HB PRO 36 -3.515 0.173 14.195 334 2HB PRO 36 2HB PRO 36 -2.692 0.570 12.700 335 1HG PRO 36 1HG PRO 36 -3.438 2.355 14.935 336 2HG PRO 36 2HG PRO 36 -2.269 2.625 13.658 337 1HD PRO 36 1HD PRO 36 -4.901 3.751 13.843 338 2HD PRO 36 2HD PRO 36 -3.777 3.928 12.510 339 H GLY 37 H GLY 37 -6.654 -0.776 11.826 340 1HA GLY 37 1HA GLY 37 -7.574 -2.162 13.847 341 2HA GLY 37 2HA GLY 37 -8.215 -0.594 14.299 342 H ASP 38 H ASP 38 -8.516 0.289 11.422 343 HA ASP 38 HA ASP 38 -11.116 -0.742 11.093 344 1HB ASP 38 1HB ASP 38 -9.454 0.880 9.111 345 2HB ASP 38 2HB ASP 38 -11.201 0.735 9.125 346 H VAL 39 H VAL 39 -11.744 -1.451 8.653 347 HA VAL 39 HA VAL 39 -9.631 -3.159 7.564 348 HB VAL 39 HB VAL 39 -12.455 -3.984 8.261 349 1HG1 VAL 39 1HG1 VAL 39 -11.742 -4.859 6.047 350 2HG1 VAL 39 2HG1 VAL 39 -10.323 -5.601 6.825 351 3HG1 VAL 39 3HG1 VAL 39 -11.962 -6.141 7.262 352 1HG2 VAL 39 1HG2 VAL 39 -11.627 -5.042 10.061 353 2HG2 VAL 39 2HG2 VAL 39 -10.208 -5.644 9.170 354 3HG2 VAL 39 3HG2 VAL 39 -10.200 -3.999 9.849 355 H ILE 40 H ILE 40 -9.473 -3.034 5.363 356 HA ILE 40 HA ILE 40 -11.527 -1.417 4.049 357 HB ILE 40 HB ILE 40 -8.748 -2.100 3.092 358 1HG1 ILE 40 1HG1 ILE 40 -9.198 0.644 3.997 359 2HG1 ILE 40 2HG1 ILE 40 -9.371 -0.520 5.295 360 1HG2 ILE 40 1HG2 ILE 40 -10.650 0.084 2.204 361 2HG2 ILE 40 2HG2 ILE 40 -9.058 -0.310 1.512 362 3HG2 ILE 40 3HG2 ILE 40 -10.406 -1.462 1.356 363 1HD1 ILE 40 1HD1 ILE 40 -7.067 -0.154 5.356 364 2HD1 ILE 40 2HD1 ILE 40 -7.140 -1.554 4.259 365 3HD1 ILE 40 3HD1 ILE 40 -6.955 0.087 3.596 366 H SER 41 H SER 41 -12.894 -2.295 2.570 367 HA SER 41 HA SER 41 -12.389 -5.086 1.933 368 1HB SER 41 1HB SER 41 -14.801 -5.236 1.458 369 2HB SER 41 2HB SER 41 -14.532 -4.597 3.068 370 HG SER 41 HG SER 41 -15.204 -3.087 0.690 371 H PHE 42 H PHE 42 -11.625 -5.525 -0.100 372 HA PHE 42 HA PHE 42 -11.909 -3.440 -2.113 373 1HB PHE 42 1HB PHE 42 -10.260 -6.008 -1.766 374 2HB PHE 42 2HB PHE 42 -10.230 -5.100 -3.264 375 HD1 PHE 42 HD1 PHE 42 -8.415 -5.666 -0.446 376 HD2 PHE 42 HD2 PHE 42 -9.920 -2.398 -2.696 377 HE1 PHE 42 HE1 PHE 42 -6.606 -4.194 0.482 378 HE2 PHE 42 HE2 PHE 42 -8.111 -0.926 -1.768 379 HZ PHE 42 HZ PHE 42 -6.476 -1.842 -0.190 380 H GLU 43 H GLU 43 -13.021 -3.717 -4.046 381 HA GLU 43 HA GLU 43 -14.549 -4.505 -5.376 382 1HB GLU 43 1HB GLU 43 -13.119 -7.146 -4.846 383 2HB GLU 43 2HB GLU 43 -14.288 -6.908 -6.129 384 1HG GLU 43 1HG GLU 43 -12.747 -4.853 -6.794 385 2HG GLU 43 2HG GLU 43 -11.536 -5.673 -5.829 386 H GLY 44 H GLY 44 -15.348 -4.233 -2.626 387 1HA GLY 44 1HA GLY 44 -17.415 -4.604 -1.671 388 2HA GLY 44 2HA GLY 44 -17.627 -6.051 -2.637 389 H GLY 45 H GLY 45 -15.708 -7.788 -2.149 390 1HA GLY 45 1HA GLY 45 -14.798 -7.838 0.570 391 2HA GLY 45 2HA GLY 45 -16.176 -8.887 0.308 392 H LYS 46 H LYS 46 -13.882 -8.163 -2.321 393 HA LYS 46 HA LYS 46 -13.343 -10.952 -2.615 394 1HB LYS 46 1HB LYS 46 -13.603 -9.024 -4.401 395 2HB LYS 46 2HB LYS 46 -11.886 -8.809 -4.127 396 1HG LYS 46 1HG LYS 46 -12.604 -11.655 -4.414 397 2HG LYS 46 2HG LYS 46 -13.077 -10.718 -5.817 398 1HD LYS 46 1HD LYS 46 -10.580 -9.691 -5.440 399 2HD LYS 46 2HD LYS 46 -10.332 -11.278 -4.740 400 1HE LYS 46 1HE LYS 46 -11.229 -10.615 -7.574 401 2HE LYS 46 2HE LYS 46 -9.781 -11.471 -7.082 402 1HZ LYS 46 1HZ LYS 46 -11.330 -13.165 -6.129 403 2HZ LYS 46 2HZ LYS 46 -12.548 -12.421 -6.923 404 3HZ LYS 46 3HZ LYS 46 -11.307 -13.075 -7.760 405 H LEU 47 H LEU 47 -11.620 -8.046 -1.399 406 HA LEU 47 HA LEU 47 -9.708 -9.859 -0.157 407 1HB LEU 47 1HB LEU 47 -8.998 -8.723 -2.472 408 2HB LEU 47 2HB LEU 47 -8.596 -7.398 -1.398 409 HG LEU 47 HG LEU 47 -6.725 -9.001 -1.970 410 1HD1 LEU 47 1HD1 LEU 47 -7.346 -8.658 0.976 411 2HD1 LEU 47 2HD1 LEU 47 -5.744 -8.925 0.247 412 3HD1 LEU 47 3HD1 LEU 47 -6.633 -7.419 -0.084 413 1HD2 LEU 47 1HD2 LEU 47 -6.689 -11.172 -1.329 414 2HD2 LEU 47 2HD2 LEU 47 -7.671 -10.880 0.127 415 3HD2 LEU 47 3HD2 LEU 47 -8.454 -10.989 -1.468 416 H LYS 48 H LYS 48 -9.823 -9.462 1.980 417 HA LYS 48 HA LYS 48 -10.527 -6.727 2.775 418 1HB LYS 48 1HB LYS 48 -10.829 -9.271 4.393 419 2HB LYS 48 2HB LYS 48 -11.435 -7.678 4.798 420 1HG LYS 48 1HG LYS 48 -12.256 -8.882 2.153 421 2HG LYS 48 2HG LYS 48 -12.997 -9.511 3.611 422 1HD LYS 48 1HD LYS 48 -12.969 -6.606 3.740 423 2HD LYS 48 2HD LYS 48 -13.657 -7.103 2.207 424 1HE LYS 48 1HE LYS 48 -14.559 -8.066 4.965 425 2HE LYS 48 2HE LYS 48 -15.417 -6.925 3.948 426 1HZ LYS 48 1HZ LYS 48 -16.231 -8.573 2.743 427 2HZ LYS 48 2HZ LYS 48 -14.796 -9.336 2.587 428 3HZ LYS 48 3HZ LYS 48 -15.720 -9.598 3.908 429 H VAL 49 H VAL 49 -9.180 -5.561 4.122 430 HA VAL 49 HA VAL 49 -6.840 -6.970 5.165 431 HB VAL 49 HB VAL 49 -5.378 -5.193 4.386 432 1HG1 VAL 49 1HG1 VAL 49 -6.638 -7.161 2.757 433 2HG1 VAL 49 2HG1 VAL 49 -6.381 -5.714 1.753 434 3HG1 VAL 49 3HG1 VAL 49 -5.006 -6.468 2.597 435 1HG2 VAL 49 1HG2 VAL 49 -6.022 -3.318 3.217 436 2HG2 VAL 49 2HG2 VAL 49 -7.489 -4.088 2.567 437 3HG2 VAL 49 3HG2 VAL 49 -7.445 -3.545 4.261 438 H ARG 50 H ARG 50 -5.854 -5.881 7.011 439 HA ARG 50 HA ARG 50 -7.606 -3.846 8.124 440 1HB ARG 50 1HB ARG 50 -8.225 -5.680 9.464 441 2HB ARG 50 2HB ARG 50 -6.649 -6.437 9.345 442 1HG ARG 50 1HG ARG 50 -5.707 -5.075 11.019 443 2HG ARG 50 2HG ARG 50 -6.852 -3.774 10.757 444 1HD ARG 50 1HD ARG 50 -7.780 -4.623 12.698 445 2HD ARG 50 2HD ARG 50 -8.611 -5.668 11.563 446 HE ARG 50 HE ARG 50 -6.209 -6.994 12.083 447 1HH1 ARG 50 2HH2 ARG 50 -8.882 -5.803 14.039 448 2HH1 ARG 50 1HH2 ARG 50 -8.690 -7.011 15.265 449 1HH2 ARG 50 2HH1 ARG 50 -5.957 -8.588 13.701 450 2HH2 ARG 50 1HH1 ARG 50 -7.016 -8.606 15.072 451 H VAL 51 H VAL 51 -6.424 -1.991 8.464 452 HA VAL 51 HA VAL 51 -3.711 -1.801 8.122 453 HB VAL 51 HB VAL 51 -5.512 -0.065 9.824 454 1HG1 VAL 51 1HG1 VAL 51 -3.230 0.528 10.239 455 2HG1 VAL 51 2HG1 VAL 51 -2.832 0.459 8.506 456 3HG1 VAL 51 3HG1 VAL 51 -3.900 1.743 9.123 457 1HG2 VAL 51 1HG2 VAL 51 -4.999 0.997 7.203 458 2HG2 VAL 51 2HG2 VAL 51 -5.649 -0.652 7.049 459 3HG2 VAL 51 3HG2 VAL 51 -6.554 0.579 7.961 460 H LYS 52 H LYS 52 -1.898 -1.675 9.532 461 HA LYS 52 HA LYS 52 -2.396 -2.970 12.119 462 1HB LYS 52 1HB LYS 52 -0.345 -3.339 10.017 463 2HB LYS 52 2HB LYS 52 0.270 -3.317 11.658 464 1HG LYS 52 1HG LYS 52 -2.110 -5.028 10.811 465 2HG LYS 52 2HG LYS 52 -0.459 -5.612 10.763 466 1HD LYS 52 1HD LYS 52 -1.740 -4.470 13.287 467 2HD LYS 52 2HD LYS 52 -1.774 -6.177 12.891 468 1HE LYS 52 1HE LYS 52 0.945 -5.111 12.630 469 2HE LYS 52 2HE LYS 52 0.302 -4.778 14.225 470 1HZ LYS 52 1HZ LYS 52 -0.447 -7.266 13.966 471 2HZ LYS 52 2HZ LYS 52 0.855 -7.322 12.983 472 3HZ LYS 52 3HZ LYS 52 1.027 -6.863 14.541 473 H ALA 53 H ALA 53 -0.688 -0.338 10.369 474 HA ALA 53 HA ALA 53 -0.887 1.398 12.554 475 1HB ALA 53 1HB ALA 53 1.101 -0.436 13.006 476 2HB ALA 53 2HB ALA 53 2.003 0.857 12.180 477 3HB ALA 53 3HB ALA 53 1.089 1.219 13.664 478 H ILE 54 H ILE 54 0.431 3.473 12.081 479 HA ILE 54 HA ILE 54 0.678 3.720 9.163 480 HB ILE 54 HB ILE 54 -1.232 4.886 10.543 481 1HG1 ILE 54 1HG1 ILE 54 0.386 5.850 8.221 482 2HG1 ILE 54 2HG1 ILE 54 -1.267 5.270 8.274 483 1HG2 ILE 54 1HG2 ILE 54 1.056 6.846 10.877 484 2HG2 ILE 54 2HG2 ILE 54 -0.658 7.147 11.252 485 3HG2 ILE 54 3HG2 ILE 54 0.257 5.937 12.183 486 1HD1 ILE 54 1HD1 ILE 54 -0.226 7.977 9.205 487 2HD1 ILE 54 2HD1 ILE 54 -1.397 7.644 7.907 488 3HD1 ILE 54 3HD1 ILE 54 -1.855 7.384 9.607 489 H ARG 55 H ARG 55 2.390 5.069 8.350 490 HA ARG 55 HA ARG 55 4.238 6.118 10.235 491 1HB ARG 55 1HB ARG 55 4.858 3.621 8.619 492 2HB ARG 55 2HB ARG 55 6.152 4.733 9.016 493 1HG ARG 55 1HG ARG 55 5.005 4.525 11.478 494 2HG ARG 55 2HG ARG 55 4.540 2.965 10.830 495 1HD ARG 55 1HD ARG 55 7.061 2.747 10.114 496 2HD ARG 55 2HD ARG 55 7.346 4.069 11.228 497 HE ARG 55 HE ARG 55 6.777 1.321 11.940 498 1HH1 ARG 55 2HH2 ARG 55 6.278 4.636 13.007 499 2HH1 ARG 55 1HH2 ARG 55 6.127 4.210 14.680 500 1HH2 ARG 55 2HH1 ARG 55 6.578 0.758 14.146 501 2HH2 ARG 55 1HH1 ARG 55 6.299 1.989 15.331 502 H VAL 56 H VAL 56 4.982 8.011 9.317 503 HA VAL 56 HA VAL 56 4.727 8.254 6.414 504 HB VAL 56 HB VAL 56 5.254 10.494 8.344 505 1HG1 VAL 56 1HG1 VAL 56 4.521 10.201 5.520 506 2HG1 VAL 56 2HG1 VAL 56 3.466 11.330 6.404 507 3HG1 VAL 56 3HG1 VAL 56 5.227 11.588 6.385 508 1HG2 VAL 56 1HG2 VAL 56 3.395 9.606 9.425 509 2HG2 VAL 56 2HG2 VAL 56 2.658 10.745 8.273 510 3HG2 VAL 56 3HG2 VAL 56 2.674 9.002 7.914 511 H TYR 57 H TYR 57 6.475 9.204 5.164 512 HA TYR 57 HA TYR 57 9.075 9.094 6.522 513 1HB TYR 57 1HB TYR 57 8.123 7.901 3.845 514 2HB TYR 57 2HB TYR 57 9.817 8.000 4.280 515 HD1 TYR 57 HD1 TYR 57 10.796 6.100 5.179 516 HD2 TYR 57 HD2 TYR 57 6.602 6.723 5.752 517 HE1 TYR 57 HE1 TYR 57 10.616 3.855 6.359 518 HE2 TYR 57 HE2 TYR 57 6.436 4.477 6.930 519 HH TYR 57 HH TYR 57 9.320 2.620 7.684 520 H ASN 58 H ASN 58 10.803 9.876 4.668 521 HA ASN 58 HA ASN 58 10.034 12.553 4.228 522 1HB ASN 58 1HB ASN 58 12.493 10.869 3.863 523 2HB ASN 58 2HB ASN 58 12.384 12.269 2.814 524 1HD2 ASN 58 1HD2 ASN 58 12.045 11.243 6.193 525 2HD2 ASN 58 2HD2 ASN 58 12.648 12.690 6.931 526 H SER 59 H SER 59 10.776 9.644 2.187 527 HA SER 59 HA SER 59 9.015 10.623 0.177 528 1HB SER 59 1HB SER 59 11.901 11.024 -0.076 529 2HB SER 59 2HB SER 59 11.311 9.987 -1.360 530 HG SER 59 HG SER 59 11.207 12.285 -1.890 531 H PHE 60 H PHE 60 8.837 8.929 -1.662 532 HA PHE 60 HA PHE 60 8.427 6.430 -0.569 533 1HB PHE 60 1HB PHE 60 8.395 7.843 -3.161 534 2HB PHE 60 2HB PHE 60 8.952 6.197 -3.388 535 HD1 PHE 60 HD1 PHE 60 7.382 4.633 -1.540 536 HD2 PHE 60 HD2 PHE 60 6.205 7.978 -3.869 537 HE1 PHE 60 HE1 PHE 60 5.007 3.823 -1.502 538 HE2 PHE 60 HE2 PHE 60 3.829 7.169 -3.831 539 HZ PHE 60 HZ PHE 60 3.259 5.101 -2.648 540 H ARG 61 H ARG 61 11.278 7.800 -2.272 541 HA ARG 61 HA ARG 61 12.585 5.465 -2.783 542 1HB ARG 61 1HB ARG 61 13.138 8.088 -3.200 543 2HB ARG 61 2HB ARG 61 14.197 7.829 -1.828 544 1HG ARG 61 1HG ARG 61 14.560 5.580 -3.566 545 2HG ARG 61 2HG ARG 61 14.565 7.002 -4.590 546 1HD ARG 61 1HD ARG 61 16.131 7.349 -2.090 547 2HD ARG 61 2HD ARG 61 16.743 6.072 -3.123 548 HE ARG 61 HE ARG 61 16.169 8.365 -4.745 549 1HH1 ARG 61 2HH2 ARG 61 18.452 7.283 -2.296 550 2HH1 ARG 61 1HH2 ARG 61 19.733 8.306 -2.856 551 1HH2 ARG 61 2HH1 ARG 61 17.858 9.714 -5.484 552 2HH2 ARG 61 1HH1 ARG 61 19.393 9.698 -4.682 553 H GLU 62 H GLU 62 12.364 7.417 0.225 554 HA GLU 62 HA GLU 62 14.360 5.941 1.565 555 1HB GLU 62 1HB GLU 62 12.485 8.151 2.174 556 2HB GLU 62 2HB GLU 62 12.813 7.118 3.551 557 1HG GLU 62 1HG GLU 62 15.352 7.372 2.698 558 2HG GLU 62 2HG GLU 62 14.722 8.835 1.966 559 H MET 63 H MET 63 10.893 5.578 0.988 560 HA MET 63 HA MET 63 10.480 3.807 3.157 561 1HB MET 63 1HB MET 63 8.958 4.935 0.844 562 2HB MET 63 2HB MET 63 8.436 3.329 1.313 563 1HG MET 63 1HG MET 63 8.164 4.117 3.682 564 2HG MET 63 2HG MET 63 8.670 5.724 3.201 565 1HE MET 63 1HE MET 63 6.594 2.854 1.949 566 2HE MET 63 2HE MET 63 5.010 3.541 1.517 567 3HE MET 63 3HE MET 63 6.407 3.783 0.442 568 H LEU 64 H LEU 64 10.854 3.426 -0.433 569 HA LEU 64 HA LEU 64 10.628 0.631 -0.399 570 1HB LEU 64 1HB LEU 64 12.120 2.293 -2.423 571 2HB LEU 64 2HB LEU 64 11.373 0.725 -2.656 572 HG LEU 64 HG LEU 64 9.459 2.754 -1.760 573 1HD1 LEU 64 1HD1 LEU 64 11.397 3.621 -3.659 574 2HD1 LEU 64 2HD1 LEU 64 9.850 3.394 -4.510 575 3HD1 LEU 64 3HD1 LEU 64 9.935 4.462 -3.088 576 1HD2 LEU 64 1HD2 LEU 64 9.626 0.465 -3.588 577 2HD2 LEU 64 2HD2 LEU 64 8.262 1.072 -2.618 578 3HD2 LEU 64 3HD2 LEU 64 8.626 1.805 -4.199 579 H GLU 65 H GLU 65 13.297 2.887 0.242 580 HA GLU 65 HA GLU 65 15.279 0.877 0.016 581 1HB GLU 65 1HB GLU 65 15.260 3.705 1.131 582 2HB GLU 65 2HB GLU 65 16.688 2.694 1.217 583 1HG GLU 65 1HG GLU 65 15.364 2.825 -1.464 584 2HG GLU 65 2HG GLU 65 16.097 4.318 -0.912 585 H LYS 66 H LYS 66 13.505 2.497 2.718 586 HA LYS 66 HA LYS 66 14.889 0.966 4.699 587 1HB LYS 66 1HB LYS 66 13.758 3.356 4.805 588 2HB LYS 66 2HB LYS 66 12.330 2.436 5.231 589 1HG LYS 66 1HG LYS 66 13.903 1.214 6.953 590 2HG LYS 66 2HG LYS 66 14.987 2.567 6.697 591 1HD LYS 66 1HD LYS 66 12.055 2.975 7.420 592 2HD LYS 66 2HD LYS 66 13.287 2.760 8.648 593 1HE LYS 66 1HE LYS 66 14.111 4.747 6.639 594 2HE LYS 66 2HE LYS 66 12.585 5.183 7.383 595 1HZ LYS 66 1HZ LYS 66 13.572 5.057 9.506 596 2HZ LYS 66 2HZ LYS 66 14.950 4.396 8.932 597 3HZ LYS 66 3HZ LYS 66 14.581 5.947 8.581 598 H GLU 67 H GLU 67 11.377 1.137 3.762 599 HA GLU 67 HA GLU 67 10.745 -1.214 5.061 600 1HB GLU 67 1HB GLU 67 9.378 0.131 2.688 601 2HB GLU 67 2HB GLU 67 8.655 -1.137 3.656 602 1HG GLU 67 1HG GLU 67 9.571 1.589 4.690 603 2HG GLU 67 2HG GLU 67 7.908 1.105 4.419 604 H GLY 68 H GLY 68 11.525 -0.566 1.579 605 1HA GLY 68 1HA GLY 68 13.022 -2.309 0.626 606 2HA GLY 68 2HA GLY 68 11.868 -3.484 1.224 607 H LEU 69 H LEU 69 12.851 -2.104 -1.561 608 HA LEU 69 HA LEU 69 10.599 -1.060 -2.774 609 1HB LEU 69 1HB LEU 69 12.639 -0.749 -3.837 610 2HB LEU 69 2HB LEU 69 13.068 -2.446 -3.754 611 HG LEU 69 HG LEU 69 11.229 -2.913 -5.418 612 1HD1 LEU 69 1HD1 LEU 69 10.745 -0.729 -6.825 613 2HD1 LEU 69 2HD1 LEU 69 9.735 -1.182 -5.431 614 3HD1 LEU 69 3HD1 LEU 69 10.995 0.062 -5.251 615 1HD2 LEU 69 1HD2 LEU 69 13.769 -1.476 -5.926 616 2HD2 LEU 69 2HD2 LEU 69 13.194 -3.054 -6.516 617 3HD2 LEU 69 3HD2 LEU 69 12.625 -1.555 -7.288 618 H GLU 70 H GLU 70 11.839 -4.476 -2.940 619 HA GLU 70 HA GLU 70 9.524 -5.373 -4.221 620 1HB GLU 70 1HB GLU 70 12.011 -6.531 -3.128 621 2HB GLU 70 2HB GLU 70 10.643 -7.617 -2.991 622 1HG GLU 70 1HG GLU 70 10.150 -7.275 -5.435 623 2HG GLU 70 2HG GLU 70 11.552 -6.231 -5.559 624 H ASN 71 H ASN 71 10.321 -4.687 -0.880 625 HA ASN 71 HA ASN 71 8.225 -6.383 0.104 626 1HB ASN 71 1HB ASN 71 10.011 -4.342 1.532 627 2HB ASN 71 2HB ASN 71 8.917 -5.445 2.343 628 1HD2 ASN 71 1HD2 ASN 71 11.747 -5.212 0.259 629 2HD2 ASN 71 2HD2 ASN 71 12.467 -6.734 0.665 630 H VAL 72 H VAL 72 7.934 -3.845 -1.733 631 HA VAL 72 HA VAL 72 5.803 -2.644 -0.143 632 HB VAL 72 HB VAL 72 8.151 -1.238 -1.380 633 1HG1 VAL 72 1HG1 VAL 72 6.264 -0.152 -2.414 634 2HG1 VAL 72 2HG1 VAL 72 5.404 -0.058 -0.858 635 3HG1 VAL 72 3HG1 VAL 72 6.879 0.903 -1.119 636 1HG2 VAL 72 1HG2 VAL 72 7.113 -0.064 1.031 637 2HG2 VAL 72 2HG2 VAL 72 7.301 -1.819 1.264 638 3HG2 VAL 72 3HG2 VAL 72 8.691 -0.836 0.744 639 H LEU 73 H LEU 73 7.491 -2.901 -3.337 640 HA LEU 73 HA LEU 73 4.825 -3.056 -4.547 641 1HB LEU 73 1HB LEU 73 6.038 -0.808 -4.800 642 2HB LEU 73 2HB LEU 73 7.142 -1.659 -5.863 643 HG LEU 73 HG LEU 73 4.621 -2.349 -6.839 644 1HD1 LEU 73 1HD1 LEU 73 3.133 -0.732 -6.515 645 2HD1 LEU 73 2HD1 LEU 73 4.221 -0.076 -5.268 646 3HD1 LEU 73 3HD1 LEU 73 4.313 0.533 -6.938 647 1HD2 LEU 73 1HD2 LEU 73 6.140 -2.015 -8.485 648 2HD2 LEU 73 2HD2 LEU 73 5.352 -0.420 -8.553 649 3HD2 LEU 73 3HD2 LEU 73 6.887 -0.619 -7.674 650 HA PRO 74 HA PRO 74 7.000 -6.729 -5.733 651 1HB PRO 74 1HB PRO 74 4.796 -8.331 -5.943 652 2HB PRO 74 2HB PRO 74 5.707 -8.144 -4.457 653 1HG PRO 74 1HG PRO 74 3.077 -7.001 -5.175 654 2HG PRO 74 2HG PRO 74 3.798 -7.184 -3.588 655 1HD PRO 74 1HD PRO 74 3.599 -4.763 -5.114 656 2HD PRO 74 2HD PRO 74 4.422 -4.971 -3.581 657 H GLY 75 H GLY 75 7.877 -6.713 -7.697 658 1HA GLY 75 1HA GLY 75 7.310 -7.535 -9.949 659 2HA GLY 75 2HA GLY 75 5.928 -6.459 -9.911 660 H VAL 76 H VAL 76 7.486 -4.326 -8.401 661 HA VAL 76 HA VAL 76 8.141 -2.659 -10.387 662 HB VAL 76 HB VAL 76 8.046 -2.204 -7.939 663 1HG1 VAL 76 1HG1 VAL 76 10.926 -2.585 -7.525 664 2HG1 VAL 76 2HG1 VAL 76 9.552 -2.976 -6.463 665 3HG1 VAL 76 3HG1 VAL 76 10.037 -4.111 -7.746 666 1HG2 VAL 76 1HG2 VAL 76 9.241 -0.247 -8.133 667 2HG2 VAL 76 2HG2 VAL 76 10.627 -1.038 -8.921 668 3HG2 VAL 76 3HG2 VAL 76 9.137 -0.726 -9.844 669 H LYS 77 H LYS 77 10.051 -2.030 -11.545 670 HA LYS 77 HA LYS 77 11.739 -4.305 -12.120 671 1HB LYS 77 1HB LYS 77 11.297 -1.610 -13.410 672 2HB LYS 77 2HB LYS 77 12.620 -2.654 -13.891 673 1HG LYS 77 1HG LYS 77 10.557 -4.465 -13.910 674 2HG LYS 77 2HG LYS 77 9.678 -3.002 -14.306 675 1HD LYS 77 1HD LYS 77 10.654 -2.814 -16.377 676 2HD LYS 77 2HD LYS 77 12.234 -3.293 -15.791 677 1HE LYS 77 1HE LYS 77 11.558 -5.670 -15.777 678 2HE LYS 77 2HE LYS 77 9.919 -5.240 -16.222 679 1HZ LYS 77 1HZ LYS 77 10.832 -4.282 -18.263 680 2HZ LYS 77 2HZ LYS 77 12.322 -4.811 -17.855 681 3HZ LYS 77 3HZ LYS 77 11.126 -5.884 -18.145 682 H SER 78 H SER 78 11.886 -1.085 -10.572 683 HA SER 78 HA SER 78 14.174 -1.863 -9.152 684 1HB SER 78 1HB SER 78 14.648 0.419 -11.110 685 2HB SER 78 2HB SER 78 15.821 -0.327 -10.042 686 HG SER 78 HG SER 78 14.624 -1.400 -12.429 687 H ILE 79 H ILE 79 14.961 0.064 -7.730 688 HA ILE 79 HA ILE 79 12.807 1.184 -6.441 689 HB ILE 79 HB ILE 79 15.700 2.043 -6.527 690 1HG1 ILE 79 1HG1 ILE 79 14.148 0.112 -4.796 691 2HG1 ILE 79 2HG1 ILE 79 15.565 -0.205 -5.777 692 1HG2 ILE 79 1HG2 ILE 79 13.607 3.542 -5.532 693 2HG2 ILE 79 2HG2 ILE 79 14.188 2.659 -4.100 694 3HG2 ILE 79 3HG2 ILE 79 15.314 3.664 -5.043 695 1HD1 ILE 79 1HD1 ILE 79 16.379 1.887 -4.072 696 2HD1 ILE 79 2HD1 ILE 79 15.402 0.818 -3.038 697 3HD1 ILE 79 3HD1 ILE 79 16.807 0.166 -3.916 698 H GLU 80 H GLU 80 14.824 2.466 -9.126 699 HA GLU 80 HA GLU 80 13.730 5.025 -9.048 700 1HB GLU 80 1HB GLU 80 15.553 3.491 -10.730 701 2HB GLU 80 2HB GLU 80 14.490 4.464 -11.727 702 1HG GLU 80 1HG GLU 80 15.426 5.994 -9.407 703 2HG GLU 80 2HG GLU 80 16.781 5.349 -10.312 704 H GLU 81 H GLU 81 12.873 2.037 -10.891 705 HA GLU 81 HA GLU 81 10.903 3.242 -12.431 706 1HB GLU 81 1HB GLU 81 11.730 0.462 -11.732 707 2HB GLU 81 2HB GLU 81 10.072 0.633 -12.271 708 1HG GLU 81 1HG GLU 81 12.487 1.731 -13.785 709 2HG GLU 81 2HG GLU 81 11.715 0.200 -14.145 710 H GLY 82 H GLY 82 10.873 1.715 -9.179 711 1HA GLY 82 1HA GLY 82 8.165 1.451 -8.747 712 2HA GLY 82 2HA GLY 82 9.362 1.805 -7.517 713 H ILE 83 H ILE 83 10.278 4.364 -8.253 714 HA ILE 83 HA ILE 83 8.294 5.980 -7.168 715 HB ILE 83 HB ILE 83 10.934 6.387 -8.478 716 1HG1 ILE 83 1HG1 ILE 83 10.359 7.787 -5.987 717 2HG1 ILE 83 2HG1 ILE 83 9.996 6.077 -5.863 718 1HG2 ILE 83 1HG2 ILE 83 9.929 8.215 -9.506 719 2HG2 ILE 83 2HG2 ILE 83 8.849 8.529 -8.126 720 3HG2 ILE 83 3HG2 ILE 83 10.585 8.901 -8.001 721 1HD1 ILE 83 1HD1 ILE 83 12.527 7.208 -5.626 722 2HD1 ILE 83 2HD1 ILE 83 12.195 5.488 -5.942 723 3HD1 ILE 83 3HD1 ILE 83 12.527 6.593 -7.296 724 H GLN 84 H GLN 84 9.239 5.302 -10.575 725 HA GLN 84 HA GLN 84 7.730 7.251 -11.760 726 1HB GLN 84 1HB GLN 84 9.013 4.723 -12.552 727 2HB GLN 84 2HB GLN 84 7.580 5.057 -13.504 728 1HG GLN 84 1HG GLN 84 9.552 6.075 -14.573 729 2HG GLN 84 2HG GLN 84 8.449 7.330 -14.043 730 1HE2 GLN 84 1HE2 GLN 84 11.571 6.010 -13.836 731 2HE2 GLN 84 2HE2 GLN 84 12.251 7.059 -12.636 732 H VAL 85 H VAL 85 6.792 4.042 -10.471 733 HA VAL 85 HA VAL 85 4.234 3.973 -11.628 734 HB VAL 85 HB VAL 85 5.739 2.565 -9.501 735 1HG1 VAL 85 1HG1 VAL 85 2.709 2.423 -9.659 736 2HG1 VAL 85 2HG1 VAL 85 3.755 1.346 -8.703 737 3HG1 VAL 85 3HG1 VAL 85 3.662 3.080 -8.307 738 1HG2 VAL 85 1HG2 VAL 85 4.548 0.617 -10.794 739 2HG2 VAL 85 2HG2 VAL 85 4.217 1.882 -12.002 740 3HG2 VAL 85 3HG2 VAL 85 5.896 1.498 -11.551 741 H TYR 86 H TYR 86 5.452 5.114 -8.412 742 HA TYR 86 HA TYR 86 2.927 5.873 -7.452 743 1HB TYR 86 1HB TYR 86 5.747 7.003 -6.929 744 2HB TYR 86 2HB TYR 86 4.397 7.114 -5.816 745 HD1 TYR 86 HD1 TYR 86 7.110 5.977 -5.137 746 HD2 TYR 86 HD2 TYR 86 3.547 4.101 -6.582 747 HE1 TYR 86 HE1 TYR 86 7.816 3.786 -4.057 748 HE2 TYR 86 HE2 TYR 86 4.265 1.917 -5.497 749 HH TYR 86 HH TYR 86 6.407 1.685 -3.163 750 H ARG 87 H ARG 87 5.105 7.324 -9.787 751 HA ARG 87 HA ARG 87 4.204 9.961 -9.362 752 1HB ARG 87 1HB ARG 87 6.402 9.532 -10.384 753 2HB ARG 87 2HB ARG 87 5.667 8.633 -11.696 754 1HG ARG 87 1HG ARG 87 6.020 10.749 -12.673 755 2HG ARG 87 2HG ARG 87 4.336 10.836 -12.195 756 1HD ARG 87 1HD ARG 87 4.776 12.611 -10.851 757 2HD ARG 87 2HD ARG 87 5.933 11.666 -9.935 758 HE ARG 87 HE ARG 87 7.685 12.658 -11.144 759 1HH1 ARG 87 2HH2 ARG 87 4.632 13.276 -12.781 760 2HH1 ARG 87 1HH2 ARG 87 5.318 14.397 -13.910 761 1HH2 ARG 87 2HH1 ARG 87 8.590 14.136 -12.633 762 2HH2 ARG 87 1HH1 ARG 87 7.584 14.890 -13.825 763 H ARG 88 H ARG 88 3.488 7.307 -11.719 764 HA ARG 88 HA ARG 88 1.686 8.866 -13.194 765 1HB ARG 88 1HB ARG 88 1.029 6.643 -14.204 766 2HB ARG 88 2HB ARG 88 2.759 6.921 -14.218 767 1HG ARG 88 1HG ARG 88 3.092 5.478 -12.284 768 2HG ARG 88 2HG ARG 88 1.368 5.375 -11.987 769 1HD ARG 88 1HD ARG 88 1.932 4.548 -14.726 770 2HD ARG 88 2HD ARG 88 2.956 3.651 -13.623 771 HE ARG 88 HE ARG 88 0.360 3.648 -12.490 772 1HH1 ARG 88 2HH2 ARG 88 1.945 2.435 -15.388 773 2HH1 ARG 88 1HH2 ARG 88 0.861 1.096 -15.574 774 1HH2 ARG 88 2HH1 ARG 88 -1.069 1.882 -12.734 775 2HH2 ARG 88 1HH1 ARG 88 -0.864 0.779 -14.055 776 H PHE 89 H PHE 89 1.480 6.768 -10.324 777 HA PHE 89 HA PHE 89 -1.388 6.632 -10.415 778 1HB PHE 89 1HB PHE 89 0.947 5.563 -8.903 779 2HB PHE 89 2HB PHE 89 -0.400 5.932 -7.845 780 HD1 PHE 89 HD1 PHE 89 1.029 3.484 -9.911 781 HD2 PHE 89 HD2 PHE 89 -2.733 4.991 -8.652 782 HE1 PHE 89 HE1 PHE 89 -0.051 1.304 -10.527 783 HE2 PHE 89 HE2 PHE 89 -3.812 2.811 -9.268 784 HZ PHE 89 HZ PHE 89 -2.459 0.993 -10.198 785 H TYR 90 H TYR 90 1.109 8.147 -8.246 786 HA TYR 90 HA TYR 90 -1.016 9.948 -7.301 787 1HB TYR 90 1HB TYR 90 1.727 9.498 -6.038 788 2HB TYR 90 2HB TYR 90 0.235 9.936 -5.230 789 HD1 TYR 90 HD1 TYR 90 -1.629 8.138 -5.111 790 HD2 TYR 90 HD2 TYR 90 2.442 7.257 -6.087 791 HE1 TYR 90 HE1 TYR 90 -2.000 5.701 -4.488 792 HE2 TYR 90 HE2 TYR 90 2.058 4.823 -5.461 793 HH TYR 90 HH TYR 90 0.201 3.275 -5.320 794 H ASP 91 H ASP 91 -0.608 12.203 -7.178 795 HA ASP 91 HA ASP 91 0.995 13.172 -9.223 796 1HB ASP 91 1HB ASP 91 0.220 14.908 -6.876 797 2HB ASP 91 2HB ASP 91 0.206 15.303 -8.583 798 H GLU 92 H GLU 92 3.029 14.375 -9.098 799 HA GLU 92 HA GLU 92 4.737 13.440 -7.059 800 1HB GLU 92 1HB GLU 92 5.592 13.745 -9.316 801 2HB GLU 92 2HB GLU 92 5.124 15.434 -9.328 802 1HG GLU 92 1HG GLU 92 7.535 15.260 -8.895 803 2HG GLU 92 2HG GLU 92 6.734 15.899 -7.473 804 H GLU 93 H GLU 93 3.040 16.512 -7.790 805 HA GLU 93 HA GLU 93 4.417 18.089 -5.982 806 1HB GLU 93 1HB GLU 93 2.295 18.402 -7.801 807 2HB GLU 93 2HB GLU 93 1.578 18.798 -6.252 808 1HG GLU 93 1HG GLU 93 2.470 20.875 -6.670 809 2HG GLU 93 2HG GLU 93 3.921 20.163 -5.992 810 H LYS 94 H LYS 94 1.268 16.305 -5.636 811 HA LYS 94 HA LYS 94 0.808 17.007 -2.996 812 1HB LYS 94 1HB LYS 94 -0.307 15.248 -4.976 813 2HB LYS 94 2HB LYS 94 -0.204 14.388 -3.454 814 1HG LYS 94 1HG LYS 94 -1.155 17.187 -3.172 815 2HG LYS 94 2HG LYS 94 -2.210 16.185 -4.148 816 1HD LYS 94 1HD LYS 94 -1.678 14.469 -2.056 817 2HD LYS 94 2HD LYS 94 -1.593 16.013 -1.233 818 1HE LYS 94 1HE LYS 94 -3.848 16.419 -1.470 819 2HE LYS 94 2HE LYS 94 -3.903 15.763 -3.094 820 1HZ LYS 94 1HZ LYS 94 -5.094 14.360 -1.608 821 2HZ LYS 94 2HZ LYS 94 -3.765 13.551 -2.105 822 3HZ LYS 94 3HZ LYS 94 -3.812 14.200 -0.608 823 H GLU 95 H GLU 95 2.740 14.332 -4.437 824 HA GLU 95 HA GLU 95 3.232 13.059 -2.015 825 1HB GLU 95 1HB GLU 95 3.597 12.271 -4.491 826 2HB GLU 95 2HB GLU 95 5.169 13.034 -4.349 827 1HG GLU 95 1HG GLU 95 5.529 11.653 -2.211 828 2HG GLU 95 2HG GLU 95 4.063 10.780 -2.614 829 H LYS 96 H LYS 96 5.219 15.411 -3.945 830 HA LYS 96 HA LYS 96 7.284 15.544 -2.039 831 1HB LYS 96 1HB LYS 96 6.603 16.743 -4.598 832 2HB LYS 96 2HB LYS 96 7.285 17.935 -3.509 833 1HG LYS 96 1HG LYS 96 8.695 15.317 -3.461 834 2HG LYS 96 2HG LYS 96 8.757 16.126 -5.014 835 1HD LYS 96 1HD LYS 96 9.244 18.186 -3.141 836 2HD LYS 96 2HD LYS 96 10.127 16.811 -2.506 837 1HE LYS 96 1HE LYS 96 10.938 16.539 -5.034 838 2HE LYS 96 2HE LYS 96 10.478 18.225 -5.160 839 1HZ LYS 96 1HZ LYS 96 12.052 17.529 -2.854 840 2HZ LYS 96 2HZ LYS 96 12.824 17.434 -4.289 841 3HZ LYS 96 3HZ LYS 96 12.143 18.842 -3.821 842 H LYS 97 H LYS 97 4.045 16.737 -2.063 843 HA LYS 97 HA LYS 97 4.546 19.066 -0.494 844 1HB LYS 97 1HB LYS 97 2.610 18.802 -2.033 845 2HB LYS 97 2HB LYS 97 1.963 17.555 -0.986 846 1HG LYS 97 1HG LYS 97 1.236 19.065 0.579 847 2HG LYS 97 2HG LYS 97 2.695 20.029 0.473 848 1HD LYS 97 1HD LYS 97 1.507 21.567 -0.698 849 2HD LYS 97 2HD LYS 97 1.438 20.422 -2.023 850 1HE LYS 97 1HE LYS 97 -0.703 19.588 -1.356 851 2HE LYS 97 2HE LYS 97 -0.557 20.244 0.262 852 1HZ LYS 97 1HZ LYS 97 -1.710 21.450 -1.903 853 2HZ LYS 97 2HZ LYS 97 -1.436 22.121 -0.439 854 3HZ LYS 97 3HZ LYS 97 -0.339 22.297 -1.636 855 H TYR 98 H TYR 98 3.009 15.847 0.224 856 HA TYR 98 HA TYR 98 3.560 16.344 3.051 857 1HB TYR 98 1HB TYR 98 1.884 14.410 1.352 858 2HB TYR 98 2HB TYR 98 2.094 14.131 3.069 859 HD1 TYR 98 HD1 TYR 98 0.916 16.738 0.654 860 HD2 TYR 98 HD2 TYR 98 0.624 15.119 4.603 861 HE1 TYR 98 HE1 TYR 98 -1.040 18.284 1.151 862 HE2 TYR 98 HE2 TYR 98 -1.331 16.671 5.087 863 HH TYR 98 HH TYR 98 -3.024 18.227 2.720 864 H GLY 99 H GLY 99 3.870 13.684 0.587 865 1HA GLY 99 1HA GLY 99 6.227 12.832 0.465 866 2HA GLY 99 2HA GLY 99 6.110 12.623 2.201 867 H VAL 100 H VAL 100 6.314 10.348 2.220 868 HA VAL 100 HA VAL 100 4.009 8.951 1.051 869 HB VAL 100 HB VAL 100 6.675 7.626 1.351 870 1HG1 VAL 100 1HG1 VAL 100 4.875 7.181 -0.977 871 2HG1 VAL 100 2HG1 VAL 100 5.806 6.018 -0.003 872 3HG1 VAL 100 3HG1 VAL 100 4.268 6.665 0.615 873 1HG2 VAL 100 1HG2 VAL 100 7.514 9.363 0.092 874 2HG2 VAL 100 2HG2 VAL 100 6.913 8.292 -1.197 875 3HG2 VAL 100 3HG2 VAL 100 5.951 9.701 -0.689 876 H VAL 101 H VAL 101 3.206 7.150 2.291 877 HA VAL 101 HA VAL 101 4.331 6.935 4.981 878 HB VAL 101 HB VAL 101 2.645 8.377 5.514 879 1HG1 VAL 101 1HG1 VAL 101 1.804 8.587 3.177 880 2HG1 VAL 101 2HG1 VAL 101 0.817 7.129 3.436 881 3HG1 VAL 101 3HG1 VAL 101 0.508 8.595 4.397 882 1HG2 VAL 101 1HG2 VAL 101 1.323 7.162 6.882 883 2HG2 VAL 101 2HG2 VAL 101 0.686 6.164 5.553 884 3HG2 VAL 101 3HG2 VAL 101 2.268 5.782 6.274 885 H ALA 102 H ALA 102 4.876 4.840 5.263 886 HA ALA 102 HA ALA 102 3.655 2.845 3.578 887 1HB ALA 102 1HB ALA 102 5.304 1.406 5.054 888 2HB ALA 102 2HB ALA 102 5.947 2.502 3.807 889 3HB ALA 102 3HB ALA 102 5.957 2.996 5.517 890 H ILE 103 H ILE 103 1.539 2.436 4.173 891 HA ILE 103 HA ILE 103 0.948 2.144 6.997 892 HB ILE 103 HB ILE 103 -1.392 1.723 5.973 893 1HG1 ILE 103 1HG1 ILE 103 -0.172 1.540 3.622 894 2HG1 ILE 103 2HG1 ILE 103 -1.801 2.165 3.781 895 1HG2 ILE 103 1HG2 ILE 103 -1.350 3.679 7.103 896 2HG2 ILE 103 2HG2 ILE 103 0.152 4.232 6.324 897 3HG2 ILE 103 3HG2 ILE 103 -1.399 4.364 5.461 898 1HD1 ILE 103 1HD1 ILE 103 -1.177 4.322 3.273 899 2HD1 ILE 103 2HD1 ILE 103 0.378 4.181 4.128 900 3HD1 ILE 103 3HD1 ILE 103 0.196 3.501 2.493 901 H GLU 104 H GLU 104 1.271 0.236 7.995 902 HA GLU 104 HA GLU 104 1.707 -2.087 6.443 903 1HB GLU 104 1HB GLU 104 2.820 -1.474 8.672 904 2HB GLU 104 2HB GLU 104 1.321 -1.923 9.460 905 1HG GLU 104 1HG GLU 104 1.486 -4.208 8.386 906 2HG GLU 104 2HG GLU 104 3.034 -3.747 7.705 907 H ILE 105 H ILE 105 0.061 -3.212 5.498 908 HA ILE 105 HA ILE 105 -2.495 -3.280 6.931 909 HB ILE 105 HB ILE 105 -3.576 -3.511 4.893 910 1HG1 ILE 105 1HG1 ILE 105 -2.106 -5.321 4.017 911 2HG1 ILE 105 2HG1 ILE 105 -2.601 -4.154 2.807 912 1HG2 ILE 105 1HG2 ILE 105 -2.478 -1.726 3.395 913 2HG2 ILE 105 2HG2 ILE 105 -2.973 -1.264 5.041 914 3HG2 ILE 105 3HG2 ILE 105 -1.260 -1.596 4.687 915 1HD1 ILE 105 1HD1 ILE 105 0.111 -4.660 3.963 916 2HD1 ILE 105 2HD1 ILE 105 -0.350 -4.171 2.315 917 3HD1 ILE 105 3HD1 ILE 105 -0.295 -2.962 3.620 918 H GLU 106 H GLU 106 -3.742 -5.405 6.640 919 HA GLU 106 HA GLU 106 -1.975 -7.665 6.360 920 1HB GLU 106 1HB GLU 106 -2.354 -6.693 8.889 921 2HB GLU 106 2HB GLU 106 -3.721 -7.785 8.781 922 1HG GLU 106 1HG GLU 106 -2.236 -9.412 9.379 923 2HG GLU 106 2HG GLU 106 -1.710 -9.352 7.708 924 HA PRO 107 HA PRO 107 -5.911 -8.558 4.491 925 1HB PRO 107 1HB PRO 107 -4.951 -10.165 2.500 926 2HB PRO 107 2HB PRO 107 -5.130 -8.431 2.329 927 1HG PRO 107 1HG PRO 107 -2.662 -10.008 2.726 928 2HG PRO 107 2HG PRO 107 -2.833 -8.366 2.137 929 1HD PRO 107 1HD PRO 107 -1.992 -9.170 4.759 930 2HD PRO 107 2HD PRO 107 -2.274 -7.532 4.205 931 H LEU 108 H LEU 108 -7.035 -9.689 5.987 932 HA LEU 108 HA LEU 108 -6.030 -12.391 6.460 933 1HB LEU 108 1HB LEU 108 -7.866 -12.255 8.280 934 2HB LEU 108 2HB LEU 108 -6.327 -11.449 8.508 935 HG LEU 108 HG LEU 108 -8.470 -9.807 7.273 936 1HD1 LEU 108 1HD1 LEU 108 -8.782 -11.119 9.921 937 2HD1 LEU 108 2HD1 LEU 108 -9.172 -9.384 9.825 938 3HD1 LEU 108 3HD1 LEU 108 -10.007 -10.544 8.764 939 1HD2 LEU 108 1HD2 LEU 108 -7.128 -8.158 7.911 940 2HD2 LEU 108 2HD2 LEU 108 -7.163 -8.708 9.604 941 3HD2 LEU 108 3HD2 LEU 108 -5.968 -9.386 8.472 942 H GLU 109 H GLU 109 -6.664 -13.277 4.405 943 HA GLU 109 HA GLU 109 -9.555 -13.636 4.277 944 1HB GLU 109 1HB GLU 109 -8.958 -12.147 2.458 945 2HB GLU 109 2HB GLU 109 -7.606 -13.158 1.988 946 1HG GLU 109 1HG GLU 109 -8.963 -14.763 0.974 947 2HG GLU 109 2HG GLU 109 -10.313 -14.464 2.050 948 H TYR 110 H TYR 110 -7.307 -15.061 1.936 949 HA TYR 110 HA TYR 110 -7.491 -17.616 3.381 950 1HB TYR 110 1HB TYR 110 -8.740 -16.771 0.957 951 2HB TYR 110 2HB TYR 110 -7.338 -17.667 0.406 952 HD1 TYR 110 HD1 TYR 110 -10.387 -17.930 2.535 953 HD2 TYR 110 HD2 TYR 110 -7.327 -20.037 0.412 954 HE1 TYR 110 HE1 TYR 110 -11.639 -20.115 2.884 955 HE2 TYR 110 HE2 TYR 110 -8.590 -22.214 0.768 956 HH TYR 110 HH TYR 110 -11.817 -22.236 2.058 Start of MODEL 3 1 HA MET 1 HA MET 1 -16.201 3.584 10.019 2 1HB MET 1 1HB MET 1 -16.881 2.548 12.381 3 2HB MET 1 2HB MET 1 -15.960 1.156 11.847 4 1HG MET 1 1HG MET 1 -14.224 2.320 12.839 5 2HG MET 1 2HG MET 1 -14.133 3.066 11.257 6 1HE MET 1 1HE MET 1 -12.787 4.265 13.102 7 2HE MET 1 2HE MET 1 -13.221 5.890 12.519 8 3HE MET 1 3HE MET 1 -13.445 5.470 14.234 9 H GLU 2 H GLU 2 -17.222 1.640 7.975 10 HA GLU 2 HA GLU 2 -14.855 -0.040 7.736 11 1HB GLU 2 1HB GLU 2 -17.261 -1.025 7.705 12 2HB GLU 2 2HB GLU 2 -17.406 -0.317 6.108 13 1HG GLU 2 1HG GLU 2 -14.922 -1.609 5.993 14 2HG GLU 2 2HG GLU 2 -15.883 -2.699 6.973 15 H TRP 3 H TRP 3 -13.634 -0.048 5.761 16 HA TRP 3 HA TRP 3 -14.223 2.260 4.033 17 1HB TRP 3 1HB TRP 3 -11.480 1.125 4.546 18 2HB TRP 3 2HB TRP 3 -11.904 2.630 3.756 19 HD1 TRP 3 HD1 TRP 3 -11.205 1.209 7.195 20 HE1 TRP 3 HE1 TRP 3 -11.321 3.052 9.080 21 HE3 TRP 3 HE3 TRP 3 -13.263 4.822 4.269 22 HZ2 TRP 3 HZ2 TRP 3 -12.239 5.753 9.135 23 HZ3 TRP 3 HZ3 TRP 3 -13.738 7.034 5.316 24 HH2 TRP 3 HH2 TRP 3 -13.259 7.527 7.661 25 H GLU 4 H GLU 4 -13.928 1.916 1.750 26 HA GLU 4 HA GLU 4 -13.326 -0.812 0.990 27 1HB GLU 4 1HB GLU 4 -15.305 -0.780 -0.600 28 2HB GLU 4 2HB GLU 4 -15.728 -0.884 1.098 29 1HG GLU 4 1HG GLU 4 -15.566 1.804 -0.318 30 2HG GLU 4 2HG GLU 4 -17.021 0.831 -0.390 31 H MET 5 H MET 5 -12.433 -1.009 -1.141 32 HA MET 5 HA MET 5 -12.256 1.414 -2.686 33 1HB MET 5 1HB MET 5 -9.787 -0.137 -1.722 34 2HB MET 5 2HB MET 5 -9.749 1.224 -2.825 35 1HG MET 5 1HG MET 5 -11.051 2.481 -0.868 36 2HG MET 5 2HG MET 5 -10.391 1.206 0.136 37 1HE MET 5 1HE MET 5 -8.673 1.729 1.462 38 2HE MET 5 2HE MET 5 -7.356 2.898 1.210 39 3HE MET 5 3HE MET 5 -9.025 3.473 1.432 40 H GLY 6 H GLY 6 -12.118 1.006 -4.906 41 1HA GLY 6 1HA GLY 6 -12.325 -1.808 -5.671 42 2HA GLY 6 2HA GLY 6 -12.739 -0.405 -6.637 43 H LEU 7 H LEU 7 -10.873 -2.857 -7.036 44 HA LEU 7 HA LEU 7 -8.888 -1.433 -8.470 45 1HB LEU 7 1HB LEU 7 -6.933 -2.348 -7.276 46 2HB LEU 7 2HB LEU 7 -7.817 -1.126 -6.384 47 HG LEU 7 HG LEU 7 -8.436 -4.013 -5.864 48 1HD1 LEU 7 1HD1 LEU 7 -6.514 -3.344 -3.961 49 2HD1 LEU 7 2HD1 LEU 7 -6.341 -4.501 -5.303 50 3HD1 LEU 7 3HD1 LEU 7 -5.815 -2.813 -5.510 51 1HD2 LEU 7 1HD2 LEU 7 -9.841 -2.838 -4.543 52 2HD2 LEU 7 2HD2 LEU 7 -8.425 -2.789 -3.466 53 3HD2 LEU 7 3HD2 LEU 7 -8.795 -1.398 -4.513 54 H GLN 8 H GLN 8 -7.212 -3.179 -9.365 55 HA GLN 8 HA GLN 8 -8.869 -5.155 -10.524 56 1HB GLN 8 1HB GLN 8 -6.154 -4.060 -10.928 57 2HB GLN 8 2HB GLN 8 -6.250 -5.780 -11.254 58 1HG GLN 8 1HG GLN 8 -7.858 -5.506 -12.972 59 2HG GLN 8 2HG GLN 8 -8.385 -3.946 -12.373 60 1HE2 GLN 8 1HE2 GLN 8 -7.575 -2.163 -13.214 61 2HE2 GLN 8 2HE2 GLN 8 -6.217 -2.049 -14.283 62 H GLU 9 H GLU 9 -8.153 -7.536 -10.627 63 HA GLU 9 HA GLU 9 -8.031 -8.490 -8.004 64 1HB GLU 9 1HB GLU 9 -9.188 -9.695 -9.820 65 2HB GLU 9 2HB GLU 9 -7.674 -9.929 -10.669 66 1HG GLU 9 1HG GLU 9 -6.821 -11.411 -8.975 67 2HG GLU 9 2HG GLU 9 -8.049 -10.931 -7.821 68 H GLU 10 H GLU 10 -5.631 -8.293 -10.697 69 HA GLU 10 HA GLU 10 -3.631 -9.740 -9.552 70 1HB GLU 10 1HB GLU 10 -2.096 -8.400 -10.998 71 2HB GLU 10 2HB GLU 10 -3.522 -8.948 -11.857 72 1HG GLU 10 1HG GLU 10 -3.718 -6.759 -12.494 73 2HG GLU 10 2HG GLU 10 -4.428 -6.532 -10.909 74 H PHE 11 H PHE 11 -4.720 -6.411 -8.873 75 HA PHE 11 HA PHE 11 -2.424 -5.736 -7.334 76 1HB PHE 11 1HB PHE 11 -4.806 -4.553 -8.437 77 2HB PHE 11 2HB PHE 11 -4.935 -4.321 -6.705 78 HD1 PHE 11 HD1 PHE 11 -3.422 -3.166 -9.726 79 HD2 PHE 11 HD2 PHE 11 -2.988 -3.185 -5.505 80 HE1 PHE 11 HE1 PHE 11 -1.882 -1.190 -9.875 81 HE2 PHE 11 HE2 PHE 11 -1.448 -1.209 -5.654 82 HZ PHE 11 HZ PHE 11 -0.913 -0.235 -7.837 83 H LEU 12 H LEU 12 -5.515 -7.367 -6.740 84 HA LEU 12 HA LEU 12 -5.575 -6.939 -3.954 85 1HB LEU 12 1HB LEU 12 -6.881 -8.912 -5.813 86 2HB LEU 12 2HB LEU 12 -7.114 -8.987 -4.078 87 HG LEU 12 HG LEU 12 -7.768 -6.578 -5.797 88 1HD1 LEU 12 1HD1 LEU 12 -9.644 -7.591 -6.399 89 2HD1 LEU 12 2HD1 LEU 12 -9.185 -9.043 -5.477 90 3HD1 LEU 12 3HD1 LEU 12 -10.105 -7.740 -4.687 91 1HD2 LEU 12 1HD2 LEU 12 -8.014 -5.435 -3.915 92 2HD2 LEU 12 2HD2 LEU 12 -9.173 -6.643 -3.309 93 3HD2 LEU 12 3HD2 LEU 12 -7.433 -6.841 -2.989 94 H GLU 13 H GLU 13 -4.351 -9.639 -6.036 95 HA GLU 13 HA GLU 13 -3.590 -11.295 -4.003 96 1HB GLU 13 1HB GLU 13 -3.600 -11.633 -6.593 97 2HB GLU 13 2HB GLU 13 -1.971 -10.987 -6.553 98 1HG GLU 13 1HG GLU 13 -1.454 -13.224 -6.266 99 2HG GLU 13 2HG GLU 13 -1.675 -12.795 -4.582 100 H LEU 14 H LEU 14 -2.073 -8.334 -5.244 101 HA LEU 14 HA LEU 14 0.492 -8.736 -4.219 102 1HB LEU 14 1HB LEU 14 -1.073 -6.210 -4.761 103 2HB LEU 14 2HB LEU 14 0.632 -6.247 -4.357 104 HG LEU 14 HG LEU 14 -0.750 -7.074 -6.878 105 1HD1 LEU 14 1HD1 LEU 14 0.259 -5.219 -7.558 106 2HD1 LEU 14 2HD1 LEU 14 1.150 -5.077 -6.024 107 3HD1 LEU 14 3HD1 LEU 14 1.822 -6.047 -7.356 108 1HD2 LEU 14 1HD2 LEU 14 0.317 -9.121 -6.495 109 2HD2 LEU 14 2HD2 LEU 14 1.445 -8.223 -7.539 110 3HD2 LEU 14 3HD2 LEU 14 1.757 -8.347 -5.791 111 H ILE 15 H ILE 15 -2.496 -7.305 -2.784 112 HA ILE 15 HA ILE 15 -1.331 -6.464 -0.406 113 HB ILE 15 HB ILE 15 -3.999 -6.874 -1.504 114 1HG1 ILE 15 1HG1 ILE 15 -4.233 -4.817 0.196 115 2HG1 ILE 15 2HG1 ILE 15 -2.485 -4.845 0.077 116 1HG2 ILE 15 1HG2 ILE 15 -5.208 -6.997 0.588 117 2HG2 ILE 15 2HG2 ILE 15 -4.155 -8.422 0.417 118 3HG2 ILE 15 3HG2 ILE 15 -3.684 -7.092 1.502 119 1HD1 ILE 15 1HD1 ILE 15 -3.129 -5.117 -2.569 120 2HD1 ILE 15 2HD1 ILE 15 -4.519 -4.164 -1.996 121 3HD1 ILE 15 3HD1 ILE 15 -2.865 -3.545 -1.778 122 H LYS 16 H LYS 16 -2.519 -9.662 -1.494 123 HA LYS 16 HA LYS 16 -2.437 -10.871 1.041 124 1HB LYS 16 1HB LYS 16 -3.126 -11.582 -1.619 125 2HB LYS 16 2HB LYS 16 -1.928 -12.744 -1.086 126 1HG LYS 16 1HG LYS 16 -3.266 -13.091 1.034 127 2HG LYS 16 2HG LYS 16 -4.490 -12.005 0.406 128 1HD LYS 16 1HD LYS 16 -3.585 -14.429 -1.194 129 2HD LYS 16 2HD LYS 16 -4.810 -14.579 0.050 130 1HE LYS 16 1HE LYS 16 -6.240 -12.921 -1.086 131 2HE LYS 16 2HE LYS 16 -4.988 -12.596 -2.268 132 1HZ LYS 16 1HZ LYS 16 -6.074 -15.290 -1.899 133 2HZ LYS 16 2HZ LYS 16 -6.777 -14.212 -2.906 134 3HZ LYS 16 3HZ LYS 16 -5.243 -14.703 -3.177 135 H LEU 17 H LEU 17 0.019 -10.070 -1.385 136 HA LEU 17 HA LEU 17 1.976 -11.773 -0.116 137 1HB LEU 17 1HB LEU 17 1.963 -9.936 -2.494 138 2HB LEU 17 2HB LEU 17 3.465 -10.556 -1.839 139 HG LEU 17 HG LEU 17 1.566 -12.714 -2.225 140 1HD1 LEU 17 1HD1 LEU 17 0.949 -12.580 -4.408 141 2HD1 LEU 17 2HD1 LEU 17 0.966 -10.842 -4.027 142 3HD1 LEU 17 3HD1 LEU 17 2.350 -11.582 -4.866 143 1HD2 LEU 17 1HD2 LEU 17 4.083 -12.392 -3.814 144 2HD2 LEU 17 2HD2 LEU 17 4.189 -12.591 -2.048 145 3HD2 LEU 17 3HD2 LEU 17 3.392 -13.838 -3.038 146 H ARG 18 H ARG 18 0.719 -8.520 0.128 147 HA ARG 18 HA ARG 18 3.089 -7.445 1.233 148 1HB ARG 18 1HB ARG 18 0.193 -6.475 1.149 149 2HB ARG 18 2HB ARG 18 1.472 -5.537 1.895 150 1HG ARG 18 1HG ARG 18 2.505 -5.051 -0.137 151 2HG ARG 18 2HG ARG 18 1.994 -6.551 -0.886 152 1HD ARG 18 1HD ARG 18 0.013 -5.656 -1.638 153 2HD ARG 18 2HD ARG 18 -0.265 -4.763 -0.156 154 HE ARG 18 HE ARG 18 1.822 -3.364 -1.234 155 1HH1 ARG 18 2HH2 ARG 18 -1.202 -4.495 -2.634 156 2HH1 ARG 18 1HH2 ARG 18 -1.302 -3.202 -3.782 157 1HH2 ARG 18 2HH1 ARG 18 1.690 -1.658 -2.749 158 2HH2 ARG 18 1HH1 ARG 18 0.354 -1.577 -3.848 159 H LYS 19 H LYS 19 1.065 -9.793 2.369 160 HA LYS 19 HA LYS 19 0.537 -8.835 4.997 161 1HB LYS 19 1HB LYS 19 -0.782 -10.579 3.716 162 2HB LYS 19 2HB LYS 19 0.532 -11.699 4.013 163 1HG LYS 19 1HG LYS 19 0.282 -11.331 6.480 164 2HG LYS 19 2HG LYS 19 -1.039 -10.219 6.178 165 1HD LYS 19 1HD LYS 19 -2.088 -12.312 6.675 166 2HD LYS 19 2HD LYS 19 -2.224 -12.135 4.937 167 1HE LYS 19 1HE LYS 19 -1.384 -14.289 4.970 168 2HE LYS 19 2HE LYS 19 0.147 -13.436 4.994 169 1HZ LYS 19 1HZ LYS 19 0.075 -13.566 7.417 170 2HZ LYS 19 2HZ LYS 19 -1.300 -14.444 7.344 171 3HZ LYS 19 3HZ LYS 19 0.087 -15.045 6.725 172 H LYS 20 H LYS 20 3.378 -9.734 3.377 173 HA LYS 20 HA LYS 20 4.667 -10.221 5.961 174 1HB LYS 20 1HB LYS 20 4.274 -12.326 4.477 175 2HB LYS 20 2HB LYS 20 5.558 -11.676 3.478 176 1HG LYS 20 1HG LYS 20 6.662 -11.401 6.000 177 2HG LYS 20 2HG LYS 20 5.695 -12.847 6.214 178 1HD LYS 20 1HD LYS 20 6.769 -13.797 4.109 179 2HD LYS 20 2HD LYS 20 7.821 -12.396 4.069 180 1HE LYS 20 1HE LYS 20 8.345 -13.087 6.595 181 2HE LYS 20 2HE LYS 20 7.750 -14.654 6.084 182 1HZ LYS 20 1HZ LYS 20 10.054 -14.579 5.695 183 2HZ LYS 20 2HZ LYS 20 9.349 -14.501 4.224 184 3HZ LYS 20 3HZ LYS 20 9.977 -13.154 4.901 185 H LYS 21 H LYS 21 4.179 -8.056 3.617 186 HA LYS 21 HA LYS 21 6.991 -7.209 3.649 187 1HB LYS 21 1HB LYS 21 5.017 -6.941 1.361 188 2HB LYS 21 2HB LYS 21 6.615 -6.222 1.406 189 1HG LYS 21 1HG LYS 21 7.714 -8.299 1.242 190 2HG LYS 21 2HG LYS 21 6.366 -9.189 1.922 191 1HD LYS 21 1HD LYS 21 5.043 -8.832 -0.144 192 2HD LYS 21 2HD LYS 21 6.324 -7.846 -0.822 193 1HE LYS 21 1HE LYS 21 7.776 -10.078 -0.249 194 2HE LYS 21 2HE LYS 21 6.206 -10.827 -0.463 195 1HZ LYS 21 1HZ LYS 21 7.041 -10.768 -2.571 196 2HZ LYS 21 2HZ LYS 21 6.149 -9.400 -2.574 197 3HZ LYS 21 3HZ LYS 21 7.770 -9.317 -2.399 198 H ILE 22 H ILE 22 4.794 -5.119 2.027 199 HA ILE 22 HA ILE 22 3.721 -3.806 4.288 200 HB ILE 22 HB ILE 22 6.431 -3.164 3.599 201 1HG1 ILE 22 1HG1 ILE 22 5.214 -3.435 5.864 202 2HG1 ILE 22 2HG1 ILE 22 6.465 -2.216 5.713 203 1HG2 ILE 22 1HG2 ILE 22 5.311 -1.559 2.033 204 2HG2 ILE 22 2HG2 ILE 22 4.557 -0.791 3.451 205 3HG2 ILE 22 3HG2 ILE 22 6.329 -0.800 3.281 206 1HD1 ILE 22 1HD1 ILE 22 4.383 -1.379 6.861 207 2HD1 ILE 22 2HD1 ILE 22 4.802 -0.447 5.403 208 3HD1 ILE 22 3HD1 ILE 22 3.488 -1.647 5.345 209 H GLU 23 H GLU 23 2.796 -1.562 3.527 210 HA GLU 23 HA GLU 23 2.343 -1.558 0.681 211 1HB GLU 23 1HB GLU 23 0.536 -3.003 1.579 212 2HB GLU 23 2HB GLU 23 0.062 -1.741 2.700 213 1HG GLU 23 1HG GLU 23 -0.143 -0.250 0.510 214 2HG GLU 23 2HG GLU 23 -0.220 -1.794 -0.316 215 H GLY 24 H GLY 24 3.264 0.468 0.389 216 1HA GLY 24 1HA GLY 24 2.481 2.628 2.210 217 2HA GLY 24 2HA GLY 24 3.797 2.640 1.053 218 H ARG 25 H ARG 25 2.457 4.862 0.816 219 HA ARG 25 HA ARG 25 1.624 5.075 -1.671 220 1HB ARG 25 1HB ARG 25 -0.247 3.620 -1.563 221 2HB ARG 25 2HB ARG 25 -0.668 4.115 0.065 222 1HG ARG 25 1HG ARG 25 -1.810 6.010 -0.646 223 2HG ARG 25 2HG ARG 25 -0.761 6.262 -2.027 224 1HD ARG 25 1HD ARG 25 -2.533 5.448 -3.236 225 2HD ARG 25 2HD ARG 25 -1.929 3.878 -2.744 226 HE ARG 25 HE ARG 25 -4.320 5.241 -1.709 227 1HH1 ARG 25 2HH2 ARG 25 -1.947 2.703 -1.149 228 2HH1 ARG 25 1HH2 ARG 25 -2.970 1.807 -0.076 229 1HH2 ARG 25 2HH1 ARG 25 -5.670 4.059 -0.293 230 2HH2 ARG 25 1HH1 ARG 25 -5.101 2.584 0.415 231 H LEU 26 H LEU 26 1.509 7.292 -2.043 232 HA LEU 26 HA LEU 26 2.020 9.152 -0.211 233 1HB LEU 26 1HB LEU 26 2.116 9.969 -2.314 234 2HB LEU 26 2HB LEU 26 0.652 9.158 -2.832 235 HG LEU 26 HG LEU 26 -0.620 10.875 -1.407 236 1HD1 LEU 26 1HD1 LEU 26 2.129 11.758 -0.976 237 2HD1 LEU 26 2HD1 LEU 26 1.072 13.057 -1.581 238 3HD1 LEU 26 3HD1 LEU 26 0.636 12.171 -0.100 239 1HD2 LEU 26 1HD2 LEU 26 -0.488 10.821 -3.904 240 2HD2 LEU 26 2HD2 LEU 26 -0.720 12.444 -3.210 241 3HD2 LEU 26 3HD2 LEU 26 0.884 11.951 -3.804 242 H TYR 27 H TYR 27 1.095 9.992 1.583 243 HA TYR 27 HA TYR 27 -1.346 9.014 2.525 244 1HB TYR 27 1HB TYR 27 0.853 10.303 3.513 245 2HB TYR 27 2HB TYR 27 -0.162 11.714 3.296 246 HD1 TYR 27 HD1 TYR 27 -1.231 8.298 4.364 247 HD2 TYR 27 HD2 TYR 27 -0.607 12.371 5.514 248 HE1 TYR 27 HE1 TYR 27 -2.348 7.845 6.603 249 HE2 TYR 27 HE2 TYR 27 -1.725 11.905 7.749 250 HH TYR 27 HH TYR 27 -2.658 10.436 9.020 251 H ASP 28 H ASP 28 -3.126 10.651 3.346 252 HA ASP 28 HA ASP 28 -3.601 12.942 1.878 253 1HB ASP 28 1HB ASP 28 -4.716 10.375 0.761 254 2HB ASP 28 2HB ASP 28 -5.758 11.783 0.732 255 H GLU 29 H GLU 29 -6.350 13.195 1.951 256 HA GLU 29 HA GLU 29 -6.877 13.173 4.690 257 1HB GLU 29 1HB GLU 29 -8.861 13.513 2.399 258 2HB GLU 29 2HB GLU 29 -9.087 14.046 4.053 259 1HG GLU 29 1HG GLU 29 -6.899 15.432 3.715 260 2HG GLU 29 2HG GLU 29 -7.105 15.111 2.004 261 H LYS 30 H LYS 30 -8.152 11.192 1.931 262 HA LYS 30 HA LYS 30 -9.824 9.620 3.568 263 1HB LYS 30 1HB LYS 30 -9.029 9.767 0.751 264 2HB LYS 30 2HB LYS 30 -9.276 8.120 1.298 265 1HG LYS 30 1HG LYS 30 -11.459 9.254 2.446 266 2HG LYS 30 2HG LYS 30 -11.249 10.383 1.122 267 1HD LYS 30 1HD LYS 30 -10.905 7.800 -0.026 268 2HD LYS 30 2HD LYS 30 -12.271 7.646 1.060 269 1HE LYS 30 1HE LYS 30 -13.162 9.844 -0.027 270 2HE LYS 30 2HE LYS 30 -11.951 9.584 -1.267 271 1HZ LYS 30 1HZ LYS 30 -13.967 7.586 -0.508 272 2HZ LYS 30 2HZ LYS 30 -14.113 8.602 -1.778 273 3HZ LYS 30 3HZ LYS 30 -12.921 7.486 -1.759 274 H ARG 31 H ARG 31 -6.422 9.363 2.459 275 HA ARG 31 HA ARG 31 -6.069 6.747 3.299 276 1HB ARG 31 1HB ARG 31 -4.355 9.038 2.478 277 2HB ARG 31 2HB ARG 31 -3.554 7.919 3.562 278 1HG ARG 31 1HG ARG 31 -5.108 6.582 1.412 279 2HG ARG 31 2HG ARG 31 -3.803 7.586 0.812 280 1HD ARG 31 1HD ARG 31 -2.507 5.732 1.209 281 2HD ARG 31 2HD ARG 31 -2.504 6.305 2.865 282 HE ARG 31 HE ARG 31 -4.080 4.045 1.789 283 1HH1 ARG 31 2HH2 ARG 31 -3.482 6.209 4.499 284 2HH1 ARG 31 1HH2 ARG 31 -4.238 5.170 5.660 285 1HH2 ARG 31 2HH1 ARG 31 -5.078 2.674 3.321 286 2HH2 ARG 31 1HH1 ARG 31 -5.152 3.146 4.986 287 H ARG 32 H ARG 32 -5.251 9.923 4.876 288 HA ARG 32 HA ARG 32 -4.266 8.779 7.193 289 1HB ARG 32 1HB ARG 32 -4.323 11.026 8.104 290 2HB ARG 32 2HB ARG 32 -3.961 11.186 6.397 291 1HG ARG 32 1HG ARG 32 -6.313 11.732 5.897 292 2HG ARG 32 2HG ARG 32 -6.776 11.424 7.559 293 1HD ARG 32 1HD ARG 32 -6.552 13.834 7.282 294 2HD ARG 32 2HD ARG 32 -5.234 13.288 8.298 295 HE ARG 32 HE ARG 32 -4.325 13.190 5.602 296 1HH1 ARG 32 2HH2 ARG 32 -5.303 15.586 7.986 297 2HH1 ARG 32 1HH2 ARG 32 -4.306 16.838 7.325 298 1HH2 ARG 32 2HH1 ARG 32 -3.008 14.842 4.729 299 2HH2 ARG 32 1HH1 ARG 32 -2.992 16.412 5.460 300 H GLN 33 H GLN 33 -7.479 9.016 5.957 301 HA GLN 33 HA GLN 33 -8.868 9.366 8.352 302 1HB GLN 33 1HB GLN 33 -9.600 9.430 5.774 303 2HB GLN 33 2HB GLN 33 -10.041 7.763 6.086 304 1HG GLN 33 1HG GLN 33 -11.952 9.305 6.499 305 2HG GLN 33 2HG GLN 33 -11.497 8.443 7.955 306 1HE2 GLN 33 1HE2 GLN 33 -10.670 9.498 9.685 307 2HE2 GLN 33 2HE2 GLN 33 -10.548 11.221 9.825 308 H ILE 34 H ILE 34 -7.710 6.465 6.549 309 HA ILE 34 HA ILE 34 -8.938 4.652 8.379 310 HB ILE 34 HB ILE 34 -6.784 4.168 6.320 311 1HG1 ILE 34 1HG1 ILE 34 -9.702 3.659 5.835 312 2HG1 ILE 34 2HG1 ILE 34 -9.072 5.281 5.627 313 1HG2 ILE 34 1HG2 ILE 34 -8.805 2.147 7.234 314 2HG2 ILE 34 2HG2 ILE 34 -7.198 1.906 6.508 315 3HG2 ILE 34 3HG2 ILE 34 -7.339 2.444 8.199 316 1HD1 ILE 34 1HD1 ILE 34 -8.589 2.838 3.999 317 2HD1 ILE 34 2HD1 ILE 34 -8.565 4.551 3.516 318 3HD1 ILE 34 3HD1 ILE 34 -7.143 3.830 4.307 319 H LYS 35 H LYS 35 -8.210 4.016 10.338 320 HA LYS 35 HA LYS 35 -5.391 4.605 10.926 321 1HB LYS 35 1HB LYS 35 -5.947 5.450 12.958 322 2HB LYS 35 2HB LYS 35 -7.426 5.850 12.110 323 1HG LYS 35 1HG LYS 35 -8.592 3.944 13.020 324 2HG LYS 35 2HG LYS 35 -7.105 3.201 13.576 325 1HD LYS 35 1HD LYS 35 -8.071 4.146 15.542 326 2HD LYS 35 2HD LYS 35 -6.794 5.262 15.101 327 1HE LYS 35 1HE LYS 35 -8.847 6.359 13.671 328 2HE LYS 35 2HE LYS 35 -9.769 5.628 14.969 329 1HZ LYS 35 1HZ LYS 35 -7.987 7.847 15.058 330 2HZ LYS 35 2HZ LYS 35 -9.212 7.456 16.064 331 3HZ LYS 35 3HZ LYS 35 -7.739 6.782 16.271 332 HA PRO 36 HA PRO 36 -4.886 0.472 12.087 333 1HB PRO 36 1HB PRO 36 -3.503 0.505 14.444 334 2HB PRO 36 2HB PRO 36 -2.751 0.791 12.887 335 1HG PRO 36 1HG PRO 36 -3.429 2.739 15.004 336 2HG PRO 36 2HG PRO 36 -2.320 2.921 13.659 337 1HD PRO 36 1HD PRO 36 -4.959 4.026 13.870 338 2HD PRO 36 2HD PRO 36 -3.895 4.109 12.479 339 H GLY 37 H GLY 37 -7.233 0.182 12.202 340 1HA GLY 37 1HA GLY 37 -7.982 -1.426 14.268 341 2HA GLY 37 2HA GLY 37 -8.384 0.182 14.836 342 H ASP 38 H ASP 38 -8.499 -1.375 11.549 343 HA ASP 38 HA ASP 38 -11.325 -1.381 11.590 344 1HB ASP 38 1HB ASP 38 -9.990 0.987 10.637 345 2HB ASP 38 2HB ASP 38 -10.650 0.167 9.236 346 H VAL 39 H VAL 39 -11.809 -1.498 8.794 347 HA VAL 39 HA VAL 39 -9.779 -3.300 7.724 348 HB VAL 39 HB VAL 39 -12.724 -3.966 7.894 349 1HG1 VAL 39 1HG1 VAL 39 -12.219 -6.020 6.826 350 2HG1 VAL 39 2HG1 VAL 39 -11.395 -4.767 5.867 351 3HG1 VAL 39 3HG1 VAL 39 -10.465 -5.773 7.003 352 1HG2 VAL 39 1HG2 VAL 39 -10.368 -4.765 9.577 353 2HG2 VAL 39 2HG2 VAL 39 -12.033 -4.365 10.064 354 3HG2 VAL 39 3HG2 VAL 39 -11.682 -5.933 9.297 355 H ILE 40 H ILE 40 -9.810 -3.436 5.395 356 HA ILE 40 HA ILE 40 -11.535 -1.414 4.151 357 HB ILE 40 HB ILE 40 -8.711 -1.902 3.262 358 1HG1 ILE 40 1HG1 ILE 40 -8.710 0.501 4.697 359 2HG1 ILE 40 2HG1 ILE 40 -9.548 -0.628 5.743 360 1HG2 ILE 40 1HG2 ILE 40 -9.247 -0.435 1.691 361 2HG2 ILE 40 2HG2 ILE 40 -10.898 -0.324 2.346 362 3HG2 ILE 40 3HG2 ILE 40 -9.630 0.777 2.937 363 1HD1 ILE 40 1HD1 ILE 40 -6.929 -0.498 5.857 364 2HD1 ILE 40 2HD1 ILE 40 -7.706 -2.100 5.871 365 3HD1 ILE 40 3HD1 ILE 40 -6.982 -1.474 4.369 366 H SER 41 H SER 41 -13.038 -2.812 3.267 367 HA SER 41 HA SER 41 -12.185 -5.234 2.076 368 1HB SER 41 1HB SER 41 -14.520 -5.597 1.594 369 2HB SER 41 2HB SER 41 -14.430 -4.858 3.180 370 HG SER 41 HG SER 41 -14.616 -2.766 1.637 371 H PHE 42 H PHE 42 -11.500 -5.549 -0.019 372 HA PHE 42 HA PHE 42 -11.753 -3.265 -1.821 373 1HB PHE 42 1HB PHE 42 -10.036 -5.812 -1.702 374 2HB PHE 42 2HB PHE 42 -9.977 -4.716 -3.069 375 HD1 PHE 42 HD1 PHE 42 -7.865 -5.603 -0.841 376 HD2 PHE 42 HD2 PHE 42 -10.150 -2.104 -1.580 377 HE1 PHE 42 HE1 PHE 42 -6.134 -4.222 0.341 378 HE2 PHE 42 HE2 PHE 42 -8.419 -0.723 -0.399 379 HZ PHE 42 HZ PHE 42 -6.432 -1.799 0.548 380 H GLU 43 H GLU 43 -12.427 -3.568 -4.041 381 HA GLU 43 HA GLU 43 -13.954 -4.240 -5.457 382 1HB GLU 43 1HB GLU 43 -12.505 -6.862 -4.908 383 2HB GLU 43 2HB GLU 43 -13.662 -6.677 -6.212 384 1HG GLU 43 1HG GLU 43 -11.268 -4.817 -5.885 385 2HG GLU 43 2HG GLU 43 -11.178 -6.303 -6.810 386 H GLY 44 H GLY 44 -15.197 -3.888 -3.043 387 1HA GLY 44 1HA GLY 44 -17.281 -4.333 -2.231 388 2HA GLY 44 2HA GLY 44 -17.374 -5.780 -3.216 389 H GLY 45 H GLY 45 -15.514 -7.507 -2.519 390 1HA GLY 45 1HA GLY 45 -14.827 -7.566 0.243 391 2HA GLY 45 2HA GLY 45 -16.249 -8.542 -0.069 392 H LYS 46 H LYS 46 -13.797 -8.032 -2.599 393 HA LYS 46 HA LYS 46 -13.388 -10.859 -2.757 394 1HB LYS 46 1HB LYS 46 -13.502 -9.002 -4.636 395 2HB LYS 46 2HB LYS 46 -11.785 -8.861 -4.316 396 1HG LYS 46 1HG LYS 46 -13.059 -11.585 -4.765 397 2HG LYS 46 2HG LYS 46 -12.592 -10.583 -6.125 398 1HD LYS 46 1HD LYS 46 -10.309 -10.432 -4.589 399 2HD LYS 46 2HD LYS 46 -10.875 -12.034 -4.159 400 1HE LYS 46 1HE LYS 46 -10.987 -11.421 -7.078 401 2HE LYS 46 2HE LYS 46 -9.370 -11.461 -6.402 402 1HZ LYS 46 1HZ LYS 46 -9.898 -13.634 -5.479 403 2HZ LYS 46 2HZ LYS 46 -11.375 -13.597 -6.176 404 3HZ LYS 46 3HZ LYS 46 -10.034 -13.627 -7.107 405 H LEU 47 H LEU 47 -11.567 -7.974 -1.632 406 HA LEU 47 HA LEU 47 -9.735 -9.827 -0.308 407 1HB LEU 47 1HB LEU 47 -8.975 -8.601 -2.581 408 2HB LEU 47 2HB LEU 47 -8.562 -7.347 -1.429 409 HG LEU 47 HG LEU 47 -6.631 -8.722 -1.871 410 1HD1 LEU 47 1HD1 LEU 47 -7.008 -7.820 0.430 411 2HD1 LEU 47 2HD1 LEU 47 -7.646 -9.415 0.896 412 3HD1 LEU 47 3HD1 LEU 47 -5.956 -9.253 0.361 413 1HD2 LEU 47 1HD2 LEU 47 -6.631 -10.941 -2.115 414 2HD2 LEU 47 2HD2 LEU 47 -7.558 -11.198 -0.617 415 3HD2 LEU 47 3HD2 LEU 47 -8.407 -10.816 -2.134 416 H LYS 48 H LYS 48 -9.811 -9.456 1.836 417 HA LYS 48 HA LYS 48 -10.625 -6.765 2.673 418 1HB LYS 48 1HB LYS 48 -10.784 -9.304 4.311 419 2HB LYS 48 2HB LYS 48 -11.534 -7.757 4.647 420 1HG LYS 48 1HG LYS 48 -12.168 -9.194 2.054 421 2HG LYS 48 2HG LYS 48 -12.955 -9.698 3.537 422 1HD LYS 48 1HD LYS 48 -13.104 -6.839 3.479 423 2HD LYS 48 2HD LYS 48 -13.525 -7.385 1.868 424 1HE LYS 48 1HE LYS 48 -14.798 -8.374 4.466 425 2HE LYS 48 2HE LYS 48 -15.534 -7.258 3.332 426 1HZ LYS 48 1HZ LYS 48 -14.774 -10.037 2.753 427 2HZ LYS 48 2HZ LYS 48 -16.295 -9.469 2.936 428 3HZ LYS 48 3HZ LYS 48 -15.396 -8.998 1.656 429 H VAL 49 H VAL 49 -9.390 -5.616 4.183 430 HA VAL 49 HA VAL 49 -6.973 -6.917 5.156 431 HB VAL 49 HB VAL 49 -5.613 -4.991 4.427 432 1HG1 VAL 49 1HG1 VAL 49 -5.713 -5.591 1.906 433 2HG1 VAL 49 2HG1 VAL 49 -5.330 -6.877 3.076 434 3HG1 VAL 49 3HG1 VAL 49 -6.969 -6.756 2.391 435 1HG2 VAL 49 1HG2 VAL 49 -7.987 -4.235 2.694 436 2HG2 VAL 49 2HG2 VAL 49 -7.518 -3.386 4.186 437 3HG2 VAL 49 3HG2 VAL 49 -6.412 -3.411 2.791 438 H ARG 50 H ARG 50 -5.995 -5.732 6.979 439 HA ARG 50 HA ARG 50 -7.827 -3.777 8.096 440 1HB ARG 50 1HB ARG 50 -8.415 -5.715 9.353 441 2HB ARG 50 2HB ARG 50 -6.769 -6.316 9.382 442 1HG ARG 50 1HG ARG 50 -6.224 -5.099 11.242 443 2HG ARG 50 2HG ARG 50 -7.027 -3.657 10.651 444 1HD ARG 50 1HD ARG 50 -8.823 -4.059 11.983 445 2HD ARG 50 2HD ARG 50 -9.055 -5.636 11.255 446 HE ARG 50 HE ARG 50 -7.534 -5.048 13.732 447 1HH1 ARG 50 2HH2 ARG 50 -8.498 -7.426 11.324 448 2HH1 ARG 50 1HH2 ARG 50 -8.110 -8.786 12.324 449 1HH2 ARG 50 2HH1 ARG 50 -7.021 -6.841 15.052 450 2HH2 ARG 50 1HH1 ARG 50 -7.264 -8.451 14.459 451 H VAL 51 H VAL 51 -6.715 -1.918 8.626 452 HA VAL 51 HA VAL 51 -3.993 -1.659 8.268 453 HB VAL 51 HB VAL 51 -5.924 -0.028 9.928 454 1HG1 VAL 51 1HG1 VAL 51 -3.563 1.282 8.711 455 2HG1 VAL 51 2HG1 VAL 51 -4.341 1.547 10.290 456 3HG1 VAL 51 3HG1 VAL 51 -3.215 0.186 10.069 457 1HG2 VAL 51 1HG2 VAL 51 -5.239 -0.131 7.013 458 2HG2 VAL 51 2HG2 VAL 51 -6.810 0.122 7.812 459 3HG2 VAL 51 3HG2 VAL 51 -5.622 1.446 7.745 460 H LYS 52 H LYS 52 -2.185 -1.675 9.639 461 HA LYS 52 HA LYS 52 -2.706 -2.913 12.250 462 1HB LYS 52 1HB LYS 52 -1.130 -3.816 10.113 463 2HB LYS 52 2HB LYS 52 0.020 -3.183 11.274 464 1HG LYS 52 1HG LYS 52 -1.963 -4.628 12.768 465 2HG LYS 52 2HG LYS 52 -1.518 -5.637 11.406 466 1HD LYS 52 1HD LYS 52 0.327 -6.243 12.583 467 2HD LYS 52 2HD LYS 52 0.950 -4.632 12.292 468 1HE LYS 52 1HE LYS 52 0.977 -5.160 14.716 469 2HE LYS 52 2HE LYS 52 -0.093 -3.811 14.386 470 1HZ LYS 52 1HZ LYS 52 -1.569 -6.139 14.146 471 2HZ LYS 52 2HZ LYS 52 -0.727 -6.251 15.540 472 3HZ LYS 52 3HZ LYS 52 -1.711 -4.974 15.281 473 H ALA 53 H ALA 53 -0.829 -0.452 10.415 474 HA ALA 53 HA ALA 53 -0.848 1.297 12.634 475 1HB ALA 53 1HB ALA 53 1.940 0.403 11.925 476 2HB ALA 53 2HB ALA 53 1.345 1.189 13.407 477 3HB ALA 53 3HB ALA 53 0.997 -0.531 13.111 478 H ILE 54 H ILE 54 0.248 3.384 12.066 479 HA ILE 54 HA ILE 54 0.449 3.622 9.143 480 HB ILE 54 HB ILE 54 -1.497 4.699 10.553 481 1HG1 ILE 54 1HG1 ILE 54 -1.118 6.770 8.844 482 2HG1 ILE 54 2HG1 ILE 54 -0.012 5.603 8.147 483 1HG2 ILE 54 1HG2 ILE 54 -1.119 6.709 11.582 484 2HG2 ILE 54 2HG2 ILE 54 0.404 5.868 11.959 485 3HG2 ILE 54 3HG2 ILE 54 0.347 7.052 10.632 486 1HD1 ILE 54 1HD1 ILE 54 -1.868 3.893 8.151 487 2HD1 ILE 54 2HD1 ILE 54 -2.975 5.160 8.732 488 3HD1 ILE 54 3HD1 ILE 54 -2.215 5.308 7.129 489 H ARG 55 H ARG 55 2.104 4.987 8.288 490 HA ARG 55 HA ARG 55 3.950 6.077 10.192 491 1HB ARG 55 1HB ARG 55 4.475 3.615 8.598 492 2HB ARG 55 2HB ARG 55 5.736 4.824 8.463 493 1HG ARG 55 1HG ARG 55 4.727 4.333 11.236 494 2HG ARG 55 2HG ARG 55 5.583 2.992 10.502 495 1HD ARG 55 1HD ARG 55 7.285 5.021 9.824 496 2HD ARG 55 2HD ARG 55 6.613 5.696 11.295 497 HE ARG 55 HE ARG 55 8.482 3.514 11.136 498 1HH1 ARG 55 2HH2 ARG 55 5.662 4.575 12.953 499 2HH1 ARG 55 1HH2 ARG 55 6.096 3.701 14.384 500 1HH2 ARG 55 2HH1 ARG 55 9.056 2.360 13.023 501 2HH2 ARG 55 1HH1 ARG 55 8.039 2.432 14.424 502 H VAL 56 H VAL 56 5.468 7.625 9.162 503 HA VAL 56 HA VAL 56 4.755 8.255 6.387 504 HB VAL 56 HB VAL 56 5.246 10.354 8.488 505 1HG1 VAL 56 1HG1 VAL 56 5.336 10.705 5.892 506 2HG1 VAL 56 2HG1 VAL 56 3.561 10.661 6.016 507 3HG1 VAL 56 3HG1 VAL 56 4.486 11.883 6.921 508 1HG2 VAL 56 1HG2 VAL 56 3.321 9.748 9.477 509 2HG2 VAL 56 2HG2 VAL 56 2.526 10.427 8.037 510 3HG2 VAL 56 3HG2 VAL 56 2.857 8.680 8.131 511 H TYR 57 H TYR 57 6.476 8.929 5.082 512 HA TYR 57 HA TYR 57 9.093 8.993 6.423 513 1HB TYR 57 1HB TYR 57 7.998 7.596 3.927 514 2HB TYR 57 2HB TYR 57 9.708 7.972 4.012 515 HD1 TYR 57 HD1 TYR 57 11.207 6.609 5.258 516 HD2 TYR 57 HD2 TYR 57 6.985 6.066 5.685 517 HE1 TYR 57 HE1 TYR 57 11.608 4.460 6.557 518 HE2 TYR 57 HE2 TYR 57 7.400 3.919 6.983 519 HH TYR 57 HH TYR 57 10.690 2.678 7.410 520 H ASN 58 H ASN 58 10.778 9.765 4.519 521 HA ASN 58 HA ASN 58 9.964 12.423 4.052 522 1HB ASN 58 1HB ASN 58 12.408 11.029 4.240 523 2HB ASN 58 2HB ASN 58 12.350 11.506 2.555 524 1HD2 ASN 58 1HD2 ASN 58 12.059 12.670 5.874 525 2HD2 ASN 58 2HD2 ASN 58 12.577 14.299 5.597 526 H SER 59 H SER 59 10.668 9.482 2.048 527 HA SER 59 HA SER 59 8.861 10.420 0.061 528 1HB SER 59 1HB SER 59 11.071 11.551 -0.511 529 2HB SER 59 2HB SER 59 11.763 9.959 -0.752 530 HG SER 59 HG SER 59 11.030 10.150 -2.754 531 H PHE 60 H PHE 60 8.722 8.691 -1.786 532 HA PHE 60 HA PHE 60 8.290 6.216 -0.640 533 1HB PHE 60 1HB PHE 60 8.227 7.586 -3.236 534 2HB PHE 60 2HB PHE 60 8.869 5.971 -3.466 535 HD1 PHE 60 HD1 PHE 60 5.956 7.828 -3.488 536 HD2 PHE 60 HD2 PHE 60 7.451 4.106 -2.104 537 HE1 PHE 60 HE1 PHE 60 3.625 6.899 -3.468 538 HE2 PHE 60 HE2 PHE 60 5.120 3.177 -2.083 539 HZ PHE 60 HZ PHE 60 3.234 4.585 -2.765 540 H ARG 61 H ARG 61 11.169 7.566 -2.298 541 HA ARG 61 HA ARG 61 12.478 5.220 -2.777 542 1HB ARG 61 1HB ARG 61 13.067 7.743 -3.340 543 2HB ARG 61 2HB ARG 61 13.958 7.702 -1.832 544 1HG ARG 61 1HG ARG 61 14.789 5.341 -3.044 545 2HG ARG 61 2HG ARG 61 14.577 6.396 -4.427 546 1HD ARG 61 1HD ARG 61 16.161 7.222 -1.951 547 2HD ARG 61 2HD ARG 61 16.903 6.444 -3.335 548 HE ARG 61 HE ARG 61 15.292 8.784 -4.054 549 1HH1 ARG 61 2HH2 ARG 61 18.469 7.676 -3.026 550 2HH1 ARG 61 1HH2 ARG 61 19.298 9.059 -3.660 551 1HH2 ARG 61 2HH1 ARG 61 16.384 10.608 -4.891 552 2HH2 ARG 61 1HH1 ARG 61 18.103 10.738 -4.728 553 H GLU 62 H GLU 62 12.427 7.318 0.172 554 HA GLU 62 HA GLU 62 14.340 5.866 1.567 555 1HB GLU 62 1HB GLU 62 12.314 7.957 2.171 556 2HB GLU 62 2HB GLU 62 12.758 6.964 3.545 557 1HG GLU 62 1HG GLU 62 15.180 7.436 3.096 558 2HG GLU 62 2HG GLU 62 14.727 8.442 1.734 559 H MET 63 H MET 63 10.843 5.428 1.062 560 HA MET 63 HA MET 63 10.560 3.570 3.175 561 1HB MET 63 1HB MET 63 8.920 4.864 1.099 562 2HB MET 63 2HB MET 63 8.509 3.165 1.226 563 1HG MET 63 1HG MET 63 8.366 3.533 3.788 564 2HG MET 63 2HG MET 63 8.452 5.250 3.451 565 1HE MET 63 1HE MET 63 6.197 2.850 0.784 566 2HE MET 63 2HE MET 63 7.112 2.095 2.112 567 3HE MET 63 3HE MET 63 5.339 2.223 2.212 568 H LEU 64 H LEU 64 10.853 3.331 -0.432 569 HA LEU 64 HA LEU 64 10.710 0.511 -0.449 570 1HB LEU 64 1HB LEU 64 11.911 2.333 -2.533 571 2HB LEU 64 2HB LEU 64 11.325 0.698 -2.761 572 HG LEU 64 HG LEU 64 9.312 2.578 -1.695 573 1HD1 LEU 64 1HD1 LEU 64 9.861 2.906 -4.612 574 2HD1 LEU 64 2HD1 LEU 64 9.087 4.015 -3.454 575 3HD1 LEU 64 3HD1 LEU 64 10.856 3.820 -3.453 576 1HD2 LEU 64 1HD2 LEU 64 7.868 1.446 -3.278 577 2HD2 LEU 64 2HD2 LEU 64 9.269 0.649 -4.032 578 3HD2 LEU 64 3HD2 LEU 64 8.816 0.254 -2.357 579 H GLU 65 H GLU 65 13.272 2.881 0.124 580 HA GLU 65 HA GLU 65 15.362 1.038 -0.366 581 1HB GLU 65 1HB GLU 65 15.230 3.769 0.964 582 2HB GLU 65 2HB GLU 65 16.725 2.860 0.877 583 1HG GLU 65 1HG GLU 65 15.232 3.066 -1.700 584 2HG GLU 65 2HG GLU 65 15.844 4.586 -1.080 585 H LYS 66 H LYS 66 13.772 2.411 2.590 586 HA LYS 66 HA LYS 66 15.309 0.647 4.274 587 1HB LYS 66 1HB LYS 66 14.105 3.141 4.593 588 2HB LYS 66 2HB LYS 66 13.084 2.066 5.528 589 1HG LYS 66 1HG LYS 66 14.784 1.505 7.020 590 2HG LYS 66 2HG LYS 66 16.051 1.693 5.824 591 1HD LYS 66 1HD LYS 66 16.459 3.612 7.051 592 2HD LYS 66 2HD LYS 66 15.285 4.272 5.929 593 1HE LYS 66 1HE LYS 66 13.803 4.679 7.603 594 2HE LYS 66 2HE LYS 66 13.896 3.023 8.169 595 1HZ LYS 66 1HZ LYS 66 15.079 3.752 9.855 596 2HZ LYS 66 2HZ LYS 66 16.262 4.274 8.857 597 3HZ LYS 66 3HZ LYS 66 15.054 5.284 9.290 598 H GLU 67 H GLU 67 11.749 1.226 3.790 599 HA GLU 67 HA GLU 67 10.964 -1.073 5.038 600 1HB GLU 67 1HB GLU 67 9.712 1.055 3.795 601 2HB GLU 67 2HB GLU 67 9.295 -0.262 2.717 602 1HG GLU 67 1HG GLU 67 7.619 0.039 4.558 603 2HG GLU 67 2HG GLU 67 8.336 -1.560 4.559 604 H GLY 68 H GLY 68 11.517 -0.491 1.494 605 1HA GLY 68 1HA GLY 68 12.824 -2.377 0.478 606 2HA GLY 68 2HA GLY 68 11.579 -3.425 1.128 607 H LEU 69 H LEU 69 12.556 -2.258 -1.713 608 HA LEU 69 HA LEU 69 10.300 -0.973 -2.777 609 1HB LEU 69 1HB LEU 69 12.275 -0.648 -3.927 610 2HB LEU 69 2HB LEU 69 12.719 -2.343 -3.879 611 HG LEU 69 HG LEU 69 10.835 -2.803 -5.494 612 1HD1 LEU 69 1HD1 LEU 69 10.191 -0.703 -6.860 613 2HD1 LEU 69 2HD1 LEU 69 9.358 -1.018 -5.320 614 3HD1 LEU 69 3HD1 LEU 69 10.654 0.199 -5.398 615 1HD2 LEU 69 1HD2 LEU 69 13.322 -1.281 -6.089 616 2HD2 LEU 69 2HD2 LEU 69 12.814 -2.909 -6.599 617 3HD2 LEU 69 3HD2 LEU 69 12.142 -1.473 -7.408 618 H GLU 70 H GLU 70 11.445 -4.408 -3.131 619 HA GLU 70 HA GLU 70 9.063 -5.191 -4.363 620 1HB GLU 70 1HB GLU 70 11.556 -6.457 -3.410 621 2HB GLU 70 2HB GLU 70 10.165 -7.514 -3.277 622 1HG GLU 70 1HG GLU 70 9.603 -7.058 -5.682 623 2HG GLU 70 2HG GLU 70 11.015 -6.029 -5.809 624 H ASN 71 H ASN 71 9.674 -4.249 -1.176 625 HA ASN 71 HA ASN 71 7.878 -6.163 -0.006 626 1HB ASN 71 1HB ASN 71 9.398 -3.761 1.134 627 2HB ASN 71 2HB ASN 71 8.342 -4.768 2.105 628 1HD2 ASN 71 1HD2 ASN 71 10.307 -5.109 3.338 629 2HD2 ASN 71 2HD2 ASN 71 11.413 -6.362 2.883 630 H VAL 72 H VAL 72 7.770 -3.183 -1.699 631 HA VAL 72 HA VAL 72 5.171 -2.534 -0.488 632 HB VAL 72 HB VAL 72 7.137 -0.599 -1.722 633 1HG1 VAL 72 1HG1 VAL 72 5.195 0.514 0.121 634 2HG1 VAL 72 2HG1 VAL 72 5.525 0.939 -1.575 635 3HG1 VAL 72 3HG1 VAL 72 4.386 -0.374 -1.192 636 1HG2 VAL 72 1HG2 VAL 72 7.341 -1.868 0.786 637 2HG2 VAL 72 2HG2 VAL 72 8.242 -0.445 0.210 638 3HG2 VAL 72 3HG2 VAL 72 6.726 -0.231 1.117 639 H LEU 73 H LEU 73 7.242 -2.707 -3.423 640 HA LEU 73 HA LEU 73 4.758 -2.862 -4.978 641 1HB LEU 73 1HB LEU 73 6.338 -0.715 -5.091 642 2HB LEU 73 2HB LEU 73 7.209 -1.729 -6.225 643 HG LEU 73 HG LEU 73 4.772 -2.052 -7.261 644 1HD1 LEU 73 1HD1 LEU 73 3.963 0.562 -7.058 645 2HD1 LEU 73 2HD1 LEU 73 3.246 -0.817 -6.192 646 3HD1 LEU 73 3HD1 LEU 73 4.476 0.192 -5.395 647 1HD2 LEU 73 1HD2 LEU 73 5.952 -1.181 -8.926 648 2HD2 LEU 73 2HD2 LEU 73 5.537 0.438 -8.314 649 3HD2 LEU 73 3HD2 LEU 73 7.043 -0.353 -7.789 650 HA PRO 74 HA PRO 74 7.021 -6.646 -5.636 651 1HB PRO 74 1HB PRO 74 4.845 -8.295 -5.747 652 2HB PRO 74 2HB PRO 74 5.717 -7.957 -4.265 653 1HG PRO 74 1HG PRO 74 3.090 -6.927 -5.145 654 2HG PRO 74 2HG PRO 74 3.776 -6.951 -3.532 655 1HD PRO 74 1HD PRO 74 3.580 -4.685 -5.280 656 2HD PRO 74 2HD PRO 74 4.369 -4.738 -3.716 657 H GLY 75 H GLY 75 7.947 -6.770 -7.575 658 1HA GLY 75 1HA GLY 75 7.520 -7.781 -9.756 659 2HA GLY 75 2HA GLY 75 6.043 -6.843 -9.840 660 H VAL 76 H VAL 76 7.445 -4.477 -8.457 661 HA VAL 76 HA VAL 76 7.939 -2.893 -10.554 662 HB VAL 76 HB VAL 76 7.826 -2.105 -8.289 663 1HG1 VAL 76 1HG1 VAL 76 9.158 -2.736 -6.559 664 2HG1 VAL 76 2HG1 VAL 76 9.398 -4.179 -7.574 665 3HG1 VAL 76 3HG1 VAL 76 10.610 -2.875 -7.580 666 1HG2 VAL 76 1HG2 VAL 76 10.618 -1.293 -8.954 667 2HG2 VAL 76 2HG2 VAL 76 9.369 -1.009 -10.190 668 3HG2 VAL 76 3HG2 VAL 76 9.192 -0.299 -8.567 669 H LYS 77 H LYS 77 9.840 -2.133 -11.707 670 HA LYS 77 HA LYS 77 11.612 -4.330 -12.298 671 1HB LYS 77 1HB LYS 77 11.248 -1.583 -13.525 672 2HB LYS 77 2HB LYS 77 12.421 -2.757 -14.087 673 1HG LYS 77 1HG LYS 77 10.245 -4.367 -14.081 674 2HG LYS 77 2HG LYS 77 9.417 -2.834 -14.268 675 1HD LYS 77 1HD LYS 77 9.906 -2.895 -16.480 676 2HD LYS 77 2HD LYS 77 11.599 -2.692 -16.072 677 1HE LYS 77 1HE LYS 77 11.818 -5.188 -15.821 678 2HE LYS 77 2HE LYS 77 10.137 -5.368 -16.285 679 1HZ LYS 77 1HZ LYS 77 12.327 -5.099 -17.943 680 2HZ LYS 77 2HZ LYS 77 10.759 -5.249 -18.376 681 3HZ LYS 77 3HZ LYS 77 11.410 -3.766 -18.167 682 H SER 78 H SER 78 11.652 -1.158 -10.659 683 HA SER 78 HA SER 78 13.916 -1.881 -9.209 684 1HB SER 78 1HB SER 78 14.342 -0.063 -11.594 685 2HB SER 78 2HB SER 78 15.322 0.146 -10.156 686 HG SER 78 HG SER 78 16.312 -1.299 -11.717 687 H ILE 79 H ILE 79 14.685 0.092 -7.823 688 HA ILE 79 HA ILE 79 12.493 1.243 -6.615 689 HB ILE 79 HB ILE 79 15.392 2.086 -6.631 690 1HG1 ILE 79 1HG1 ILE 79 13.785 0.221 -4.873 691 2HG1 ILE 79 2HG1 ILE 79 15.182 -0.165 -5.857 692 1HG2 ILE 79 1HG2 ILE 79 13.962 3.939 -5.911 693 2HG2 ILE 79 2HG2 ILE 79 13.185 2.879 -4.711 694 3HG2 ILE 79 3HG2 ILE 79 14.912 3.280 -4.558 695 1HD1 ILE 79 1HD1 ILE 79 16.491 1.547 -4.428 696 2HD1 ILE 79 2HD1 ILE 79 15.093 1.522 -3.327 697 3HD1 ILE 79 3HD1 ILE 79 16.018 0.031 -3.624 698 H GLU 80 H GLU 80 14.623 2.478 -9.240 699 HA GLU 80 HA GLU 80 13.602 5.043 -9.264 700 1HB GLU 80 1HB GLU 80 15.311 3.370 -10.944 701 2HB GLU 80 2HB GLU 80 14.289 4.391 -11.935 702 1HG GLU 80 1HG GLU 80 15.266 5.983 -9.728 703 2HG GLU 80 2HG GLU 80 16.631 5.139 -10.432 704 H GLU 81 H GLU 81 12.598 2.054 -11.038 705 HA GLU 81 HA GLU 81 10.642 3.311 -12.555 706 1HB GLU 81 1HB GLU 81 11.429 0.528 -11.875 707 2HB GLU 81 2HB GLU 81 9.738 0.711 -12.297 708 1HG GLU 81 1HG GLU 81 12.112 1.633 -13.985 709 2HG GLU 81 2HG GLU 81 11.099 0.242 -14.314 710 H GLY 82 H GLY 82 10.625 1.831 -9.283 711 1HA GLY 82 1HA GLY 82 7.917 1.663 -8.797 712 2HA GLY 82 2HA GLY 82 9.150 1.987 -7.594 713 H ILE 83 H ILE 83 10.139 4.510 -8.433 714 HA ILE 83 HA ILE 83 8.198 6.200 -7.334 715 HB ILE 83 HB ILE 83 10.863 6.537 -8.637 716 1HG1 ILE 83 1HG1 ILE 83 10.518 7.863 -6.117 717 2HG1 ILE 83 2HG1 ILE 83 9.854 6.247 -5.987 718 1HG2 ILE 83 1HG2 ILE 83 10.462 9.060 -7.875 719 2HG2 ILE 83 2HG2 ILE 83 10.102 8.487 -9.522 720 3HG2 ILE 83 3HG2 ILE 83 8.790 8.654 -8.331 721 1HD1 ILE 83 1HD1 ILE 83 12.128 5.628 -7.322 722 2HD1 ILE 83 2HD1 ILE 83 12.679 7.109 -6.501 723 3HD1 ILE 83 3HD1 ILE 83 12.064 5.738 -5.546 724 H GLN 84 H GLN 84 9.258 5.572 -10.727 725 HA GLN 84 HA GLN 84 7.787 7.547 -11.914 726 1HB GLN 84 1HB GLN 84 8.905 4.901 -12.773 727 2HB GLN 84 2HB GLN 84 7.720 5.633 -13.836 728 1HG GLN 84 1HG GLN 84 10.297 6.942 -12.847 729 2HG GLN 84 2HG GLN 84 10.000 6.347 -14.468 730 1HE2 GLN 84 1HE2 GLN 84 10.610 9.040 -13.328 731 2HE2 GLN 84 2HE2 GLN 84 9.400 10.113 -13.950 732 H VAL 85 H VAL 85 6.814 4.300 -10.754 733 HA VAL 85 HA VAL 85 4.300 4.262 -12.008 734 HB VAL 85 HB VAL 85 5.629 2.828 -9.742 735 1HG1 VAL 85 1HG1 VAL 85 3.310 3.175 -8.984 736 2HG1 VAL 85 2HG1 VAL 85 2.711 2.473 -10.506 737 3HG1 VAL 85 3HG1 VAL 85 3.632 1.466 -9.363 738 1HG2 VAL 85 1HG2 VAL 85 5.258 0.877 -11.187 739 2HG2 VAL 85 2HG2 VAL 85 4.391 1.901 -12.356 740 3HG2 VAL 85 3HG2 VAL 85 6.125 2.168 -12.053 741 H TYR 86 H TYR 86 5.394 5.278 -8.704 742 HA TYR 86 HA TYR 86 2.818 6.022 -7.844 743 1HB TYR 86 1HB TYR 86 5.617 7.064 -7.083 744 2HB TYR 86 2HB TYR 86 4.204 7.120 -6.048 745 HD1 TYR 86 HD1 TYR 86 3.152 4.311 -6.602 746 HD2 TYR 86 HD2 TYR 86 7.082 5.767 -5.744 747 HE1 TYR 86 HE1 TYR 86 3.783 2.051 -5.625 748 HE2 TYR 86 HE2 TYR 86 7.700 3.502 -4.770 749 HH TYR 86 HH TYR 86 6.963 1.170 -5.032 750 H ARG 87 H ARG 87 5.265 7.600 -9.849 751 HA ARG 87 HA ARG 87 4.280 10.200 -9.374 752 1HB ARG 87 1HB ARG 87 6.630 9.434 -10.260 753 2HB ARG 87 2HB ARG 87 5.860 9.334 -11.831 754 1HG ARG 87 1HG ARG 87 5.142 11.857 -10.566 755 2HG ARG 87 2HG ARG 87 6.884 11.668 -10.533 756 1HD ARG 87 1HD ARG 87 5.665 10.889 -13.128 757 2HD ARG 87 2HD ARG 87 5.410 12.573 -12.716 758 HE ARG 87 HE ARG 87 8.175 11.660 -12.319 759 1HH1 ARG 87 2HH2 ARG 87 5.875 13.062 -14.583 760 2HH1 ARG 87 1HH2 ARG 87 7.098 13.770 -15.585 761 1HH2 ARG 87 2HH1 ARG 87 9.789 12.593 -13.640 762 2HH2 ARG 87 1HH1 ARG 87 9.340 13.501 -15.045 763 H ARG 88 H ARG 88 3.536 7.516 -11.564 764 HA ARG 88 HA ARG 88 2.218 9.092 -13.481 765 1HB ARG 88 1HB ARG 88 2.048 6.105 -12.838 766 2HB ARG 88 2HB ARG 88 1.298 6.838 -14.242 767 1HG ARG 88 1HG ARG 88 4.024 7.745 -14.183 768 2HG ARG 88 2HG ARG 88 4.056 6.018 -13.888 769 1HD ARG 88 1HD ARG 88 2.283 6.007 -15.929 770 2HD ARG 88 2HD ARG 88 3.091 7.511 -16.323 771 HE ARG 88 HE ARG 88 5.138 5.636 -15.785 772 1HH1 ARG 88 2HH2 ARG 88 2.531 6.040 -18.115 773 2HH1 ARG 88 1HH2 ARG 88 3.352 5.180 -19.375 774 1HH2 ARG 88 2HH1 ARG 88 6.221 4.502 -17.447 775 2HH2 ARG 88 1HH1 ARG 88 5.465 4.299 -18.992 776 H PHE 89 H PHE 89 1.267 7.266 -10.532 777 HA PHE 89 HA PHE 89 -1.525 7.920 -10.987 778 1HB PHE 89 1HB PHE 89 0.084 6.349 -8.889 779 2HB PHE 89 2HB PHE 89 -1.654 6.542 -8.776 780 HD1 PHE 89 HD1 PHE 89 -2.735 6.046 -11.332 781 HD2 PHE 89 HD2 PHE 89 0.665 4.231 -9.557 782 HE1 PHE 89 HE1 PHE 89 -3.054 4.026 -12.787 783 HE2 PHE 89 HE2 PHE 89 0.346 2.211 -11.012 784 HZ PHE 89 HZ PHE 89 -1.510 2.132 -12.609 785 H TYR 90 H TYR 90 1.043 8.388 -8.457 786 HA TYR 90 HA TYR 90 -0.627 10.460 -7.255 787 1HB TYR 90 1HB TYR 90 2.136 9.540 -6.347 788 2HB TYR 90 2HB TYR 90 0.783 10.027 -5.345 789 HD1 TYR 90 HD1 TYR 90 2.542 7.527 -5.034 790 HD2 TYR 90 HD2 TYR 90 -1.229 8.171 -6.948 791 HE1 TYR 90 HE1 TYR 90 1.932 5.086 -4.668 792 HE2 TYR 90 HE2 TYR 90 -1.827 5.728 -6.575 793 HH TYR 90 HH TYR 90 -0.833 3.917 -4.575 794 H ASP 91 H ASP 91 -0.291 12.581 -7.685 795 HA ASP 91 HA ASP 91 1.542 13.439 -9.499 796 1HB ASP 91 1HB ASP 91 0.669 15.232 -7.218 797 2HB ASP 91 2HB ASP 91 0.870 15.643 -8.909 798 H GLU 92 H GLU 92 3.607 14.594 -9.263 799 HA GLU 92 HA GLU 92 5.169 13.595 -7.144 800 1HB GLU 92 1HB GLU 92 5.852 14.167 -9.597 801 2HB GLU 92 2HB GLU 92 6.003 15.820 -9.034 802 1HG GLU 92 1HG GLU 92 7.447 14.688 -7.083 803 2HG GLU 92 2HG GLU 92 7.625 13.393 -8.250 804 H GLU 93 H GLU 93 3.397 16.595 -7.791 805 HA GLU 93 HA GLU 93 4.791 18.141 -5.902 806 1HB GLU 93 1HB GLU 93 2.804 18.564 -7.869 807 2HB GLU 93 2HB GLU 93 2.032 19.004 -6.359 808 1HG GLU 93 1HG GLU 93 3.921 20.523 -5.807 809 2HG GLU 93 2HG GLU 93 4.755 20.046 -7.272 810 H LYS 94 H LYS 94 1.594 16.419 -5.868 811 HA LYS 94 HA LYS 94 0.945 17.092 -3.243 812 1HB LYS 94 1HB LYS 94 -0.110 15.476 -5.372 813 2HB LYS 94 2HB LYS 94 -0.167 14.552 -3.885 814 1HG LYS 94 1HG LYS 94 -0.971 17.224 -3.218 815 2HG LYS 94 2HG LYS 94 -1.822 16.798 -4.689 816 1HD LYS 94 1HD LYS 94 -3.302 15.832 -3.211 817 2HD LYS 94 2HD LYS 94 -2.194 14.479 -3.327 818 1HE LYS 94 1HE LYS 94 -1.520 14.710 -1.160 819 2HE LYS 94 2HE LYS 94 -1.277 16.437 -1.333 820 1HZ LYS 94 1HZ LYS 94 -3.190 16.784 -0.333 821 2HZ LYS 94 2HZ LYS 94 -4.014 15.847 -1.387 822 3HZ LYS 94 3HZ LYS 94 -3.345 15.182 -0.054 823 H GLU 95 H GLU 95 2.869 14.397 -4.646 824 HA GLU 95 HA GLU 95 3.092 12.993 -2.253 825 1HB GLU 95 1HB GLU 95 3.636 12.325 -4.751 826 2HB GLU 95 2HB GLU 95 5.234 12.947 -4.392 827 1HG GLU 95 1HG GLU 95 3.992 11.036 -2.416 828 2HG GLU 95 2HG GLU 95 4.581 10.378 -3.930 829 H LYS 96 H LYS 96 5.349 15.308 -3.915 830 HA LYS 96 HA LYS 96 7.248 15.259 -1.841 831 1HB LYS 96 1HB LYS 96 6.719 17.010 -4.226 832 2HB LYS 96 2HB LYS 96 7.904 17.502 -3.034 833 1HG LYS 96 1HG LYS 96 8.668 14.904 -3.346 834 2HG LYS 96 2HG LYS 96 7.965 15.175 -4.928 835 1HD LYS 96 1HD LYS 96 10.122 15.917 -5.355 836 2HD LYS 96 2HD LYS 96 9.408 17.429 -4.833 837 1HE LYS 96 1HE LYS 96 10.400 15.809 -2.567 838 2HE LYS 96 2HE LYS 96 11.667 16.206 -3.711 839 1HZ LYS 96 1HZ LYS 96 11.578 17.994 -2.282 840 2HZ LYS 96 2HZ LYS 96 10.733 18.538 -3.569 841 3HZ LYS 96 3HZ LYS 96 9.947 18.042 -2.226 842 H LYS 97 H LYS 97 4.106 16.700 -2.146 843 HA LYS 97 HA LYS 97 4.545 18.950 -0.500 844 1HB LYS 97 1HB LYS 97 2.275 17.576 -1.777 845 2HB LYS 97 2HB LYS 97 1.870 18.341 -0.253 846 1HG LYS 97 1HG LYS 97 3.582 20.132 -1.763 847 2HG LYS 97 2HG LYS 97 2.278 19.595 -2.803 848 1HD LYS 97 1HD LYS 97 1.361 21.494 -1.726 849 2HD LYS 97 2HD LYS 97 0.688 20.155 -0.817 850 1HE LYS 97 1HE LYS 97 3.047 20.573 0.559 851 2HE LYS 97 2HE LYS 97 2.687 22.204 0.026 852 1HZ LYS 97 1HZ LYS 97 1.367 22.202 1.794 853 2HZ LYS 97 2HZ LYS 97 0.310 21.360 0.877 854 3HZ LYS 97 3HZ LYS 97 1.297 20.575 1.915 855 H TYR 98 H TYR 98 2.982 15.735 0.179 856 HA TYR 98 HA TYR 98 3.463 16.243 3.021 857 1HB TYR 98 1HB TYR 98 1.705 14.464 1.259 858 2HB TYR 98 2HB TYR 98 1.961 14.000 2.930 859 HD1 TYR 98 HD1 TYR 98 0.000 15.976 0.704 860 HD2 TYR 98 HD2 TYR 98 1.384 15.779 4.747 861 HE1 TYR 98 HE1 TYR 98 -1.877 17.530 1.429 862 HE2 TYR 98 HE2 TYR 98 -0.498 17.333 5.459 863 HH TYR 98 HH TYR 98 -2.872 18.495 3.084 864 H GLY 99 H GLY 99 3.740 13.569 0.569 865 1HA GLY 99 1HA GLY 99 6.020 12.599 0.450 866 2HA GLY 99 2HA GLY 99 5.963 12.490 2.198 867 H VAL 100 H VAL 100 6.321 10.136 1.886 868 HA VAL 100 HA VAL 100 3.900 8.761 0.961 869 HB VAL 100 HB VAL 100 6.556 7.451 1.440 870 1HG1 VAL 100 1HG1 VAL 100 5.444 6.341 -0.800 871 2HG1 VAL 100 2HG1 VAL 100 5.217 5.732 0.858 872 3HG1 VAL 100 3HG1 VAL 100 3.994 6.798 0.126 873 1HG2 VAL 100 1HG2 VAL 100 7.383 9.072 0.024 874 2HG2 VAL 100 2HG2 VAL 100 6.815 7.866 -1.155 875 3HG2 VAL 100 3HG2 VAL 100 5.825 9.303 -0.805 876 H VAL 101 H VAL 101 3.212 6.842 2.240 877 HA VAL 101 HA VAL 101 4.103 6.949 5.020 878 HB VAL 101 HB VAL 101 1.708 6.798 5.718 879 1HG1 VAL 101 1HG1 VAL 101 2.697 8.869 6.147 880 2HG1 VAL 101 2HG1 VAL 101 2.853 9.267 4.419 881 3HG1 VAL 101 3HG1 VAL 101 1.254 9.303 5.200 882 1HG2 VAL 101 1HG2 VAL 101 0.655 8.134 3.348 883 2HG2 VAL 101 2HG2 VAL 101 1.223 6.486 2.991 884 3HG2 VAL 101 3HG2 VAL 101 0.008 6.752 4.264 885 H ALA 102 H ALA 102 4.975 4.949 5.272 886 HA ALA 102 HA ALA 102 3.962 2.734 3.762 887 1HB ALA 102 1HB ALA 102 6.052 2.007 4.143 888 2HB ALA 102 2HB ALA 102 6.357 3.462 5.123 889 3HB ALA 102 3HB ALA 102 5.748 1.979 5.897 890 H ILE 103 H ILE 103 1.868 2.184 4.342 891 HA ILE 103 HA ILE 103 1.353 1.840 7.199 892 HB ILE 103 HB ILE 103 -1.006 1.735 6.519 893 1HG1 ILE 103 1HG1 ILE 103 0.038 2.326 3.733 894 2HG1 ILE 103 2HG1 ILE 103 -0.687 0.819 4.255 895 1HG2 ILE 103 1HG2 ILE 103 -1.216 4.123 5.877 896 2HG2 ILE 103 2HG2 ILE 103 -0.093 3.848 7.230 897 3HG2 ILE 103 3HG2 ILE 103 0.542 4.171 5.599 898 1HD1 ILE 103 1HD1 ILE 103 -2.437 2.074 3.182 899 2HD1 ILE 103 2HD1 ILE 103 -2.763 2.169 4.929 900 3HD1 ILE 103 3HD1 ILE 103 -2.023 3.551 4.086 901 H GLU 104 H GLU 104 1.422 -0.149 8.093 902 HA GLU 104 HA GLU 104 1.916 -2.359 6.388 903 1HB GLU 104 1HB GLU 104 2.727 -1.783 8.882 904 2HB GLU 104 2HB GLU 104 1.297 -2.699 9.316 905 1HG GLU 104 1HG GLU 104 2.220 -4.690 8.663 906 2HG GLU 104 2HG GLU 104 2.888 -4.009 7.192 907 H ILE 105 H ILE 105 0.342 -3.485 5.337 908 HA ILE 105 HA ILE 105 -2.305 -3.549 6.603 909 HB ILE 105 HB ILE 105 -3.133 -4.013 4.310 910 1HG1 ILE 105 1HG1 ILE 105 -1.567 -3.356 2.423 911 2HG1 ILE 105 2HG1 ILE 105 -0.246 -3.493 3.565 912 1HG2 ILE 105 1HG2 ILE 105 -3.271 -1.781 5.260 913 2HG2 ILE 105 2HG2 ILE 105 -1.620 -1.416 4.702 914 3HG2 ILE 105 3HG2 ILE 105 -2.919 -1.693 3.517 915 1HD1 ILE 105 1HD1 ILE 105 -0.264 -5.763 3.467 916 2HD1 ILE 105 2HD1 ILE 105 -2.029 -5.830 3.688 917 3HD1 ILE 105 3HD1 ILE 105 -1.344 -5.584 2.063 918 H GLU 106 H GLU 106 -3.422 -5.547 6.771 919 HA GLU 106 HA GLU 106 -1.876 -7.878 6.020 920 1HB GLU 106 1HB GLU 106 -2.511 -8.880 8.325 921 2HB GLU 106 2HB GLU 106 -1.186 -7.734 8.275 922 1HG GLU 106 1HG GLU 106 -2.342 -6.135 9.458 923 2HG GLU 106 2HG GLU 106 -3.856 -6.475 8.644 924 HA PRO 107 HA PRO 107 -6.061 -8.650 4.820 925 1HB PRO 107 1HB PRO 107 -5.499 -10.511 2.899 926 2HB PRO 107 2HB PRO 107 -5.547 -8.789 2.580 927 1HG PRO 107 1HG PRO 107 -3.195 -10.561 2.841 928 2HG PRO 107 2HG PRO 107 -3.294 -8.968 2.118 929 1HD PRO 107 1HD PRO 107 -2.206 -9.620 4.691 930 2HD PRO 107 2HD PRO 107 -2.411 -8.016 4.015 931 H LEU 108 H LEU 108 -7.349 -9.656 6.219 932 HA LEU 108 HA LEU 108 -6.358 -12.000 7.495 933 1HB LEU 108 1HB LEU 108 -9.205 -11.065 7.596 934 2HB LEU 108 2HB LEU 108 -8.261 -11.882 8.827 935 HG LEU 108 HG LEU 108 -7.062 -9.325 8.173 936 1HD1 LEU 108 1HD1 LEU 108 -9.497 -8.881 7.561 937 2HD1 LEU 108 2HD1 LEU 108 -9.855 -9.084 9.293 938 3HD1 LEU 108 3HD1 LEU 108 -8.750 -7.795 8.757 939 1HD2 LEU 108 1HD2 LEU 108 -7.110 -9.012 10.553 940 2HD2 LEU 108 2HD2 LEU 108 -8.329 -10.294 10.748 941 3HD2 LEU 108 3HD2 LEU 108 -6.682 -10.706 10.212 942 H GLU 109 H GLU 109 -5.994 -12.819 5.054 943 HA GLU 109 HA GLU 109 -8.380 -14.380 4.431 944 1HB GLU 109 1HB GLU 109 -7.629 -12.642 2.702 945 2HB GLU 109 2HB GLU 109 -6.187 -13.609 2.463 946 1HG GLU 109 1HG GLU 109 -7.430 -14.703 0.886 947 2HG GLU 109 2HG GLU 109 -8.127 -15.552 2.252 948 H TYR 110 H TYR 110 -5.233 -14.430 5.692 949 HA TYR 110 HA TYR 110 -3.796 -16.042 6.185 950 1HB TYR 110 1HB TYR 110 -6.189 -17.049 6.756 951 2HB TYR 110 2HB TYR 110 -6.001 -17.983 5.285 952 HD1 TYR 110 HD1 TYR 110 -3.997 -17.191 8.368 953 HD2 TYR 110 HD2 TYR 110 -5.205 -20.145 5.518 954 HE1 TYR 110 HE1 TYR 110 -2.710 -18.968 9.653 955 HE2 TYR 110 HE2 TYR 110 -3.914 -21.911 6.813 956 HH TYR 110 HH TYR 110 -2.616 -22.324 8.484 Start of MODEL 4 1 HA MET 1 HA MET 1 -18.021 1.766 9.873 2 1HB MET 1 1HB MET 1 -16.112 2.474 12.057 3 2HB MET 1 2HB MET 1 -15.490 2.817 10.455 4 1HG MET 1 1HG MET 1 -16.631 4.814 10.978 5 2HG MET 1 2HG MET 1 -17.823 3.954 10.024 6 1HE MET 1 1HE MET 1 -20.727 4.425 12.139 7 2HE MET 1 2HE MET 1 -19.731 5.719 11.432 8 3HE MET 1 3HE MET 1 -19.956 4.188 10.553 9 H GLU 2 H GLU 2 -17.207 1.134 7.902 10 HA GLU 2 HA GLU 2 -14.769 -0.454 7.974 11 1HB GLU 2 1HB GLU 2 -17.251 -1.583 7.556 12 2HB GLU 2 2HB GLU 2 -16.762 -1.236 5.909 13 1HG GLU 2 1HG GLU 2 -15.554 -3.160 5.990 14 2HG GLU 2 2HG GLU 2 -14.428 -2.300 7.021 15 H TRP 3 H TRP 3 -13.606 -0.498 5.841 16 HA TRP 3 HA TRP 3 -14.228 1.935 4.308 17 1HB TRP 3 1HB TRP 3 -11.511 0.685 4.736 18 2HB TRP 3 2HB TRP 3 -11.867 2.177 3.889 19 HD1 TRP 3 HD1 TRP 3 -10.968 0.948 7.294 20 HE1 TRP 3 HE1 TRP 3 -11.090 2.830 9.140 21 HE3 TRP 3 HE3 TRP 3 -13.483 4.319 4.437 22 HZ2 TRP 3 HZ2 TRP 3 -12.200 5.459 9.197 23 HZ3 TRP 3 HZ3 TRP 3 -14.047 6.520 5.464 24 HH2 TRP 3 HH2 TRP 3 -13.448 7.112 7.758 25 H GLU 4 H GLU 4 -14.158 1.752 2.014 26 HA GLU 4 HA GLU 4 -13.808 -0.984 1.069 27 1HB GLU 4 1HB GLU 4 -15.716 -0.801 -0.359 28 2HB GLU 4 2HB GLU 4 -16.240 -0.204 1.203 29 1HG GLU 4 1HG GLU 4 -15.331 2.134 0.105 30 2HG GLU 4 2HG GLU 4 -15.806 1.292 -1.356 31 H MET 5 H MET 5 -12.958 -1.203 -1.116 32 HA MET 5 HA MET 5 -12.171 1.224 -2.429 33 1HB MET 5 1HB MET 5 -10.339 -0.451 -0.806 34 2HB MET 5 2HB MET 5 -9.780 -0.292 -2.459 35 1HG MET 5 1HG MET 5 -9.498 2.035 -2.295 36 2HG MET 5 2HG MET 5 -10.723 2.207 -1.054 37 1HE MET 5 1HE MET 5 -8.309 3.388 1.290 38 2HE MET 5 2HE MET 5 -9.826 3.507 0.366 39 3HE MET 5 3HE MET 5 -9.725 2.424 1.775 40 H GLY 6 H GLY 6 -10.408 0.225 -4.333 41 1HA GLY 6 1HA GLY 6 -11.390 -2.284 -5.381 42 2HA GLY 6 2HA GLY 6 -11.934 -0.873 -6.266 43 H LEU 7 H LEU 7 -10.030 -3.091 -7.043 44 HA LEU 7 HA LEU 7 -8.154 -1.468 -8.371 45 1HB LEU 7 1HB LEU 7 -6.104 -2.256 -7.346 46 2HB LEU 7 2HB LEU 7 -7.074 -1.321 -6.226 47 HG LEU 7 HG LEU 7 -6.939 -4.348 -6.265 48 1HD1 LEU 7 1HD1 LEU 7 -5.236 -4.339 -4.779 49 2HD1 LEU 7 2HD1 LEU 7 -4.864 -2.786 -5.565 50 3HD1 LEU 7 3HD1 LEU 7 -5.751 -2.812 -4.022 51 1HD2 LEU 7 1HD2 LEU 7 -7.895 -3.968 -3.896 52 2HD2 LEU 7 2HD2 LEU 7 -8.360 -2.362 -4.506 53 3HD2 LEU 7 3HD2 LEU 7 -8.988 -3.829 -5.294 54 H GLN 8 H GLN 8 -6.652 -2.860 -9.731 55 HA GLN 8 HA GLN 8 -8.114 -4.734 -11.052 56 1HB GLN 8 1HB GLN 8 -5.497 -3.605 -11.212 57 2HB GLN 8 2HB GLN 8 -5.283 -5.342 -11.290 58 1HG GLN 8 1HG GLN 8 -7.209 -5.329 -13.046 59 2HG GLN 8 2HG GLN 8 -6.983 -3.592 -13.111 60 1HE2 GLN 8 1HE2 GLN 8 -6.321 -3.657 -15.238 61 2HE2 GLN 8 2HE2 GLN 8 -4.762 -4.221 -15.737 62 H GLU 9 H GLU 9 -8.022 -7.079 -11.181 63 HA GLU 9 HA GLU 9 -8.106 -8.316 -8.746 64 1HB GLU 9 1HB GLU 9 -8.502 -9.017 -11.479 65 2HB GLU 9 2HB GLU 9 -7.395 -10.213 -10.835 66 1HG GLU 9 1HG GLU 9 -9.027 -10.410 -8.822 67 2HG GLU 9 2HG GLU 9 -10.164 -9.494 -9.791 68 H GLU 10 H GLU 10 -5.392 -7.934 -11.063 69 HA GLU 10 HA GLU 10 -3.700 -9.757 -9.813 70 1HB GLU 10 1HB GLU 10 -3.601 -7.895 -12.011 71 2HB GLU 10 2HB GLU 10 -2.168 -7.649 -11.033 72 1HG GLU 10 1HG GLU 10 -1.885 -10.229 -11.066 73 2HG GLU 10 2HG GLU 10 -3.109 -10.245 -12.320 74 H PHE 11 H PHE 11 -4.468 -6.318 -9.235 75 HA PHE 11 HA PHE 11 -2.271 -5.896 -7.478 76 1HB PHE 11 1HB PHE 11 -4.413 -4.467 -8.790 77 2HB PHE 11 2HB PHE 11 -4.625 -4.182 -7.075 78 HD1 PHE 11 HD1 PHE 11 -2.775 -3.122 -5.768 79 HD2 PHE 11 HD2 PHE 11 -2.650 -3.428 -9.999 80 HE1 PHE 11 HE1 PHE 11 -0.999 -1.351 -5.844 81 HE2 PHE 11 HE2 PHE 11 -0.874 -1.656 -10.075 82 HZ PHE 11 HZ PHE 11 -0.069 -0.638 -7.996 83 H LEU 12 H LEU 12 -5.557 -7.182 -7.195 84 HA LEU 12 HA LEU 12 -5.880 -6.704 -4.441 85 1HB LEU 12 1HB LEU 12 -7.228 -8.177 -6.587 86 2HB LEU 12 2HB LEU 12 -7.384 -8.933 -5.014 87 HG LEU 12 HG LEU 12 -7.889 -6.147 -4.668 88 1HD1 LEU 12 1HD1 LEU 12 -9.443 -5.523 -6.237 89 2HD1 LEU 12 2HD1 LEU 12 -8.314 -6.462 -7.243 90 3HD1 LEU 12 3HD1 LEU 12 -9.835 -7.200 -6.686 91 1HD2 LEU 12 1HD2 LEU 12 -9.118 -8.727 -4.119 92 2HD2 LEU 12 2HD2 LEU 12 -9.163 -7.212 -3.187 93 3HD2 LEU 12 3HD2 LEU 12 -10.325 -7.479 -4.508 94 H GLU 13 H GLU 13 -4.234 -9.218 -6.359 95 HA GLU 13 HA GLU 13 -3.941 -10.952 -4.146 96 1HB GLU 13 1HB GLU 13 -3.895 -11.515 -6.685 97 2HB GLU 13 2HB GLU 13 -2.231 -10.968 -6.658 98 1HG GLU 13 1HG GLU 13 -1.818 -13.174 -6.140 99 2HG GLU 13 2HG GLU 13 -2.141 -12.623 -4.508 100 H LEU 14 H LEU 14 -2.128 -8.240 -5.555 101 HA LEU 14 HA LEU 14 0.374 -8.712 -4.512 102 1HB LEU 14 1HB LEU 14 -1.153 -6.183 -5.091 103 2HB LEU 14 2HB LEU 14 0.497 -6.155 -4.503 104 HG LEU 14 HG LEU 14 -0.569 -6.916 -7.170 105 1HD1 LEU 14 1HD1 LEU 14 2.194 -5.901 -6.677 106 2HD1 LEU 14 2HD1 LEU 14 1.035 -5.507 -7.970 107 3HD1 LEU 14 3HD1 LEU 14 0.824 -4.814 -6.344 108 1HD2 LEU 14 1HD2 LEU 14 1.840 -8.287 -5.948 109 2HD2 LEU 14 2HD2 LEU 14 0.346 -9.048 -6.546 110 3HD2 LEU 14 3HD2 LEU 14 1.461 -8.260 -7.687 111 H ILE 15 H ILE 15 -2.515 -7.179 -2.977 112 HA ILE 15 HA ILE 15 -1.249 -6.479 -0.599 113 HB ILE 15 HB ILE 15 -4.097 -7.047 -1.370 114 1HG1 ILE 15 1HG1 ILE 15 -4.199 -4.531 -0.794 115 2HG1 ILE 15 2HG1 ILE 15 -2.448 -4.573 -0.852 116 1HG2 ILE 15 1HG2 ILE 15 -4.054 -7.696 0.917 117 2HG2 ILE 15 2HG2 ILE 15 -3.036 -6.306 1.364 118 3HG2 ILE 15 3HG2 ILE 15 -4.722 -6.048 0.854 119 1HD1 ILE 15 1HD1 ILE 15 -2.418 -5.220 -3.156 120 2HD1 ILE 15 2HD1 ILE 15 -4.136 -5.682 -3.127 121 3HD1 ILE 15 3HD1 ILE 15 -3.675 -3.965 -3.044 122 H LYS 16 H LYS 16 -2.910 -9.511 -1.636 123 HA LYS 16 HA LYS 16 -2.853 -10.818 0.788 124 1HB LYS 16 1HB LYS 16 -3.178 -11.512 -2.041 125 2HB LYS 16 2HB LYS 16 -2.454 -12.805 -1.106 126 1HG LYS 16 1HG LYS 16 -4.360 -13.163 0.135 127 2HG LYS 16 2HG LYS 16 -4.733 -11.455 0.252 128 1HD LYS 16 1HD LYS 16 -6.302 -11.706 -1.361 129 2HD LYS 16 2HD LYS 16 -5.040 -12.120 -2.504 130 1HE LYS 16 1HE LYS 16 -6.747 -13.982 -0.823 131 2HE LYS 16 2HE LYS 16 -6.499 -14.000 -2.558 132 1HZ LYS 16 1HZ LYS 16 -4.868 -15.112 -0.487 133 2HZ LYS 16 2HZ LYS 16 -5.035 -15.574 -2.044 134 3HZ LYS 16 3HZ LYS 16 -4.026 -14.349 -1.661 135 H LEU 17 H LEU 17 -0.262 -10.175 -1.568 136 HA LEU 17 HA LEU 17 1.543 -11.963 -0.192 137 1HB LEU 17 1HB LEU 17 1.519 -10.403 -2.706 138 2HB LEU 17 2HB LEU 17 3.084 -10.605 -1.944 139 HG LEU 17 HG LEU 17 1.209 -12.799 -2.861 140 1HD1 LEU 17 1HD1 LEU 17 2.645 -13.194 -4.618 141 2HD1 LEU 17 2HD1 LEU 17 2.723 -11.421 -4.487 142 3HD1 LEU 17 3HD1 LEU 17 4.029 -12.421 -3.809 143 1HD2 LEU 17 1HD2 LEU 17 2.138 -13.716 -0.928 144 2HD2 LEU 17 2HD2 LEU 17 3.212 -14.287 -2.227 145 3HD2 LEU 17 3HD2 LEU 17 3.713 -12.929 -1.191 146 H ARG 18 H ARG 18 0.468 -8.647 -0.048 147 HA ARG 18 HA ARG 18 2.844 -7.598 1.003 148 1HB ARG 18 1HB ARG 18 -0.061 -6.685 0.986 149 2HB ARG 18 2HB ARG 18 1.155 -5.763 1.847 150 1HG ARG 18 1HG ARG 18 2.432 -5.374 -0.181 151 2HG ARG 18 2HG ARG 18 1.493 -6.550 -1.079 152 1HD ARG 18 1HD ARG 18 -0.198 -5.059 -1.499 153 2HD ARG 18 2HD ARG 18 -0.192 -4.444 0.142 154 HE ARG 18 HE ARG 18 2.144 -3.402 -0.867 155 1HH1 ARG 18 2HH2 ARG 18 -1.167 -3.413 -2.059 156 2HH1 ARG 18 1HH2 ARG 18 -1.003 -1.910 -2.904 157 1HH2 ARG 18 2HH1 ARG 18 2.360 -1.418 -1.981 158 2HH2 ARG 18 1HH1 ARG 18 1.016 -0.767 -2.859 159 H LYS 19 H LYS 19 0.895 -9.974 2.229 160 HA LYS 19 HA LYS 19 0.522 -9.056 4.895 161 1HB LYS 19 1HB LYS 19 -0.870 -10.785 3.703 162 2HB LYS 19 2HB LYS 19 0.476 -11.898 3.844 163 1HG LYS 19 1HG LYS 19 0.395 -11.842 6.266 164 2HG LYS 19 2HG LYS 19 -0.695 -10.470 6.268 165 1HD LYS 19 1HD LYS 19 -2.433 -11.924 6.333 166 2HD LYS 19 2HD LYS 19 -2.023 -12.418 4.702 167 1HE LYS 19 1HE LYS 19 -1.109 -14.403 5.397 168 2HE LYS 19 2HE LYS 19 -0.279 -13.660 6.750 169 1HZ LYS 19 1HZ LYS 19 -3.076 -14.520 6.629 170 2HZ LYS 19 2HZ LYS 19 -1.908 -15.027 7.653 171 3HZ LYS 19 3HZ LYS 19 -2.532 -13.526 7.805 172 H LYS 20 H LYS 20 3.256 -10.007 3.079 173 HA LYS 20 HA LYS 20 4.698 -10.513 5.585 174 1HB LYS 20 1HB LYS 20 4.390 -12.274 3.316 175 2HB LYS 20 2HB LYS 20 6.074 -11.823 3.489 176 1HG LYS 20 1HG LYS 20 6.285 -12.825 5.580 177 2HG LYS 20 2HG LYS 20 4.615 -12.525 6.018 178 1HD LYS 20 1HD LYS 20 3.879 -14.300 4.408 179 2HD LYS 20 2HD LYS 20 5.552 -14.605 3.983 180 1HE LYS 20 1HE LYS 20 6.072 -15.340 6.260 181 2HE LYS 20 2HE LYS 20 4.498 -14.831 6.840 182 1HZ LYS 20 1HZ LYS 20 4.545 -16.711 4.643 183 2HZ LYS 20 2HZ LYS 20 4.976 -17.277 6.113 184 3HZ LYS 20 3HZ LYS 20 3.505 -16.603 5.898 185 H LYS 21 H LYS 21 4.069 -8.324 3.230 186 HA LYS 21 HA LYS 21 6.861 -7.407 3.194 187 1HB LYS 21 1HB LYS 21 4.748 -7.017 1.052 188 2HB LYS 21 2HB LYS 21 6.367 -6.349 1.025 189 1HG LYS 21 1HG LYS 21 5.828 -9.342 1.259 190 2HG LYS 21 2HG LYS 21 6.025 -8.536 -0.284 191 1HD LYS 21 1HD LYS 21 8.295 -8.284 -0.019 192 2HD LYS 21 2HD LYS 21 8.160 -7.898 1.685 193 1HE LYS 21 1HE LYS 21 7.371 -10.663 1.301 194 2HE LYS 21 2HE LYS 21 8.907 -10.405 0.498 195 1HZ LYS 21 1HZ LYS 21 8.685 -10.869 3.073 196 2HZ LYS 21 2HZ LYS 21 9.923 -10.014 2.437 197 3HZ LYS 21 3HZ LYS 21 8.657 -9.236 3.116 198 H ILE 22 H ILE 22 4.666 -5.213 1.788 199 HA ILE 22 HA ILE 22 3.616 -4.042 4.130 200 HB ILE 22 HB ILE 22 6.345 -3.417 3.522 201 1HG1 ILE 22 1HG1 ILE 22 5.373 -3.839 5.755 202 2HG1 ILE 22 2HG1 ILE 22 6.270 -2.336 5.673 203 1HG2 ILE 22 1HG2 ILE 22 5.218 -1.682 2.055 204 2HG2 ILE 22 2HG2 ILE 22 4.580 -0.964 3.554 205 3HG2 ILE 22 3HG2 ILE 22 6.338 -1.066 3.294 206 1HD1 ILE 22 1HD1 ILE 22 4.268 -1.010 5.598 207 2HD1 ILE 22 2HD1 ILE 22 3.256 -2.433 5.253 208 3HD1 ILE 22 3HD1 ILE 22 3.993 -2.234 6.861 209 H GLU 23 H GLU 23 2.801 -1.687 3.514 210 HA GLU 23 HA GLU 23 2.363 -1.466 0.681 211 1HB GLU 23 1HB GLU 23 0.501 -2.903 1.276 212 2HB GLU 23 2HB GLU 23 0.105 -1.921 2.672 213 1HG GLU 23 1HG GLU 23 -0.441 0.002 1.165 214 2HG GLU 23 2HG GLU 23 -0.044 -0.979 -0.231 215 H GLY 24 H GLY 24 3.205 0.584 0.470 216 1HA GLY 24 1HA GLY 24 2.125 2.649 2.296 217 2HA GLY 24 2HA GLY 24 3.786 2.623 1.738 218 H ARG 25 H ARG 25 1.698 4.721 1.348 219 HA ARG 25 HA ARG 25 2.172 5.077 -1.418 220 1HB ARG 25 1HB ARG 25 -0.695 4.709 -0.416 221 2HB ARG 25 2HB ARG 25 -0.303 5.427 -1.966 222 1HG ARG 25 1HG ARG 25 1.018 3.285 -2.501 223 2HG ARG 25 2HG ARG 25 0.331 2.588 -1.048 224 1HD ARG 25 1HD ARG 25 -1.918 3.647 -2.335 225 2HD ARG 25 2HD ARG 25 -0.942 3.080 -3.676 226 HE ARG 25 HE ARG 25 -1.004 1.081 -1.595 227 1HH1 ARG 25 2HH2 ARG 25 -2.992 2.481 -4.138 228 2HH1 ARG 25 1HH2 ARG 25 -3.951 1.054 -4.350 229 1HH2 ARG 25 2HH1 ARG 25 -2.269 -0.801 -1.874 230 2HH2 ARG 25 1HH1 ARG 25 -3.537 -0.825 -3.053 231 H LEU 26 H LEU 26 1.311 7.310 -2.136 232 HA LEU 26 HA LEU 26 2.020 9.233 -0.281 233 1HB LEU 26 1HB LEU 26 2.217 10.037 -2.368 234 2HB LEU 26 2HB LEU 26 0.837 9.144 -2.976 235 HG LEU 26 HG LEU 26 -0.653 10.818 -1.803 236 1HD1 LEU 26 1HD1 LEU 26 0.341 12.105 -0.272 237 2HD1 LEU 26 2HD1 LEU 26 1.963 11.823 -0.949 238 3HD1 LEU 26 3HD1 LEU 26 0.912 13.077 -1.649 239 1HD2 LEU 26 1HD2 LEU 26 -0.055 12.678 -3.519 240 2HD2 LEU 26 2HD2 LEU 26 1.151 11.507 -4.105 241 3HD2 LEU 26 3HD2 LEU 26 -0.577 11.079 -4.101 242 H TYR 27 H TYR 27 1.047 9.627 1.634 243 HA TYR 27 HA TYR 27 -1.415 8.837 2.426 244 1HB TYR 27 1HB TYR 27 0.743 10.403 3.322 245 2HB TYR 27 2HB TYR 27 -0.543 11.592 3.259 246 HD1 TYR 27 HD1 TYR 27 -2.472 8.924 3.876 247 HD2 TYR 27 HD2 TYR 27 0.675 11.078 5.816 248 HE1 TYR 27 HE1 TYR 27 -3.314 8.130 6.140 249 HE2 TYR 27 HE2 TYR 27 -0.178 10.277 8.073 250 HH TYR 27 HH TYR 27 -2.173 9.491 9.064 251 H ASP 28 H ASP 28 -3.266 10.458 3.143 252 HA ASP 28 HA ASP 28 -3.732 12.620 1.417 253 1HB ASP 28 1HB ASP 28 -5.272 10.029 0.942 254 2HB ASP 28 2HB ASP 28 -5.848 11.588 0.386 255 H GLU 29 H GLU 29 -6.274 13.259 1.732 256 HA GLU 29 HA GLU 29 -6.654 13.480 4.465 257 1HB GLU 29 1HB GLU 29 -8.597 13.898 2.152 258 2HB GLU 29 2HB GLU 29 -8.922 14.392 3.801 259 1HG GLU 29 1HG GLU 29 -6.562 15.616 3.590 260 2HG GLU 29 2HG GLU 29 -6.864 15.483 1.869 261 H LYS 30 H LYS 30 -8.263 11.389 1.979 262 HA LYS 30 HA LYS 30 -10.070 10.193 3.734 263 1HB LYS 30 1HB LYS 30 -9.379 10.043 0.992 264 2HB LYS 30 2HB LYS 30 -9.266 8.409 1.613 265 1HG LYS 30 1HG LYS 30 -11.652 10.036 2.462 266 2HG LYS 30 2HG LYS 30 -11.609 9.489 0.797 267 1HD LYS 30 1HD LYS 30 -12.193 7.389 1.420 268 2HD LYS 30 2HD LYS 30 -10.813 7.284 2.495 269 1HE LYS 30 1HE LYS 30 -12.536 7.070 4.048 270 2HE LYS 30 2HE LYS 30 -12.317 8.808 4.091 271 1HZ LYS 30 1HZ LYS 30 -14.395 7.288 2.716 272 2HZ LYS 30 2HZ LYS 30 -14.561 8.525 3.770 273 3HZ LYS 30 3HZ LYS 30 -14.043 8.813 2.248 274 H ARG 31 H ARG 31 -6.683 9.382 2.816 275 HA ARG 31 HA ARG 31 -6.679 6.968 4.209 276 1HB ARG 31 1HB ARG 31 -4.573 8.817 3.071 277 2HB ARG 31 2HB ARG 31 -4.049 7.540 4.150 278 1HG ARG 31 1HG ARG 31 -5.934 6.392 2.291 279 2HG ARG 31 2HG ARG 31 -4.788 7.342 1.365 280 1HD ARG 31 1HD ARG 31 -3.256 5.683 1.587 281 2HD ARG 31 2HD ARG 31 -3.243 5.939 3.321 282 HE ARG 31 HE ARG 31 -4.466 3.971 3.559 283 1HH1 ARG 31 2HH2 ARG 31 -5.021 5.242 0.325 284 2HH1 ARG 31 1HH2 ARG 31 -5.992 3.898 -0.175 285 1HH2 ARG 31 2HH1 ARG 31 -5.747 2.198 2.900 286 2HH2 ARG 31 1HH1 ARG 31 -6.408 2.155 1.300 287 H ARG 32 H ARG 32 -5.733 10.353 5.032 288 HA ARG 32 HA ARG 32 -4.452 9.920 7.365 289 1HB ARG 32 1HB ARG 32 -5.059 12.137 6.059 290 2HB ARG 32 2HB ARG 32 -6.470 12.181 7.097 291 1HG ARG 32 1HG ARG 32 -5.215 12.545 9.040 292 2HG ARG 32 2HG ARG 32 -3.798 11.727 8.413 293 1HD ARG 32 1HD ARG 32 -3.523 13.667 6.758 294 2HD ARG 32 2HD ARG 32 -4.805 14.498 7.616 295 HE ARG 32 HE ARG 32 -2.853 13.627 9.523 296 1HH1 ARG 32 2HH2 ARG 32 -3.232 15.966 6.921 297 2HH1 ARG 32 1HH2 ARG 32 -2.093 17.086 7.590 298 1HH2 ARG 32 2HH1 ARG 32 -1.350 15.105 10.406 299 2HH2 ARG 32 1HH1 ARG 32 -1.015 16.593 9.585 300 H GLN 33 H GLN 33 -8.000 10.079 6.725 301 HA GLN 33 HA GLN 33 -8.771 10.021 9.395 302 1HB GLN 33 1HB GLN 33 -10.023 10.069 6.829 303 2HB GLN 33 2HB GLN 33 -10.712 8.704 7.684 304 1HG GLN 33 1HG GLN 33 -11.137 10.231 9.669 305 2HG GLN 33 2HG GLN 33 -10.570 11.580 8.705 306 1HE2 GLN 33 1HE2 GLN 33 -12.821 8.828 8.543 307 2HE2 GLN 33 2HE2 GLN 33 -14.117 9.649 7.739 308 H ILE 34 H ILE 34 -7.633 7.536 7.165 309 HA ILE 34 HA ILE 34 -8.738 5.345 8.611 310 HB ILE 34 HB ILE 34 -6.536 5.493 6.549 311 1HG1 ILE 34 1HG1 ILE 34 -9.405 4.643 6.128 312 2HG1 ILE 34 2HG1 ILE 34 -8.887 6.305 5.929 313 1HG2 ILE 34 1HG2 ILE 34 -6.500 3.459 8.035 314 2HG2 ILE 34 2HG2 ILE 34 -8.111 3.054 7.397 315 3HG2 ILE 34 3HG2 ILE 34 -6.714 3.137 6.297 316 1HD1 ILE 34 1HD1 ILE 34 -8.531 4.047 4.123 317 2HD1 ILE 34 2HD1 ILE 34 -8.241 5.778 3.824 318 3HD1 ILE 34 3HD1 ILE 34 -6.956 4.768 4.531 319 H LYS 35 H LYS 35 -7.948 4.277 10.368 320 HA LYS 35 HA LYS 35 -5.198 4.919 11.157 321 1HB LYS 35 1HB LYS 35 -5.772 5.535 13.282 322 2HB LYS 35 2HB LYS 35 -7.158 6.155 12.408 323 1HG LYS 35 1HG LYS 35 -8.409 4.941 13.880 324 2HG LYS 35 2HG LYS 35 -7.963 3.553 12.907 325 1HD LYS 35 1HD LYS 35 -6.232 2.895 14.396 326 2HD LYS 35 2HD LYS 35 -6.107 4.489 15.114 327 1HE LYS 35 1HE LYS 35 -8.171 4.221 16.333 328 2HE LYS 35 2HE LYS 35 -8.645 2.827 15.383 329 1HZ LYS 35 1HZ LYS 35 -7.717 1.677 17.012 330 2HZ LYS 35 2HZ LYS 35 -6.264 2.105 16.401 331 3HZ LYS 35 3HZ LYS 35 -6.916 2.958 17.632 332 HA PRO 36 HA PRO 36 -4.828 0.673 11.845 333 1HB PRO 36 1HB PRO 36 -3.214 0.469 14.041 334 2HB PRO 36 2HB PRO 36 -2.609 0.837 12.438 335 1HG PRO 36 1HG PRO 36 -2.967 2.650 14.745 336 2HG PRO 36 2HG PRO 36 -1.992 2.882 13.308 337 1HD PRO 36 1HD PRO 36 -4.536 4.084 13.869 338 2HD PRO 36 2HD PRO 36 -3.615 4.224 12.385 339 H GLY 37 H GLY 37 -7.037 0.171 12.136 340 1HA GLY 37 1HA GLY 37 -7.622 -1.399 14.270 341 2HA GLY 37 2HA GLY 37 -8.053 0.203 14.832 342 H ASP 38 H ASP 38 -8.297 -1.465 11.605 343 HA ASP 38 HA ASP 38 -11.113 -1.550 11.798 344 1HB ASP 38 1HB ASP 38 -9.885 0.817 10.666 345 2HB ASP 38 2HB ASP 38 -10.670 -0.063 9.369 346 H VAL 39 H VAL 39 -11.754 -1.776 9.047 347 HA VAL 39 HA VAL 39 -9.728 -3.566 7.934 348 HB VAL 39 HB VAL 39 -12.660 -4.271 8.100 349 1HG1 VAL 39 1HG1 VAL 39 -12.113 -6.308 7.133 350 2HG1 VAL 39 2HG1 VAL 39 -11.022 -5.193 6.276 351 3HG1 VAL 39 3HG1 VAL 39 -10.401 -6.197 7.608 352 1HG2 VAL 39 1HG2 VAL 39 -11.530 -6.098 9.713 353 2HG2 VAL 39 2HG2 VAL 39 -10.445 -4.726 10.041 354 3HG2 VAL 39 3HG2 VAL 39 -12.197 -4.560 10.312 355 H ILE 40 H ILE 40 -9.858 -3.779 5.607 356 HA ILE 40 HA ILE 40 -11.623 -1.783 4.376 357 HB ILE 40 HB ILE 40 -8.833 -2.313 3.401 358 1HG1 ILE 40 1HG1 ILE 40 -9.625 -0.185 5.412 359 2HG1 ILE 40 2HG1 ILE 40 -8.695 -1.622 5.782 360 1HG2 ILE 40 1HG2 ILE 40 -10.711 -1.150 2.047 361 2HG2 ILE 40 2HG2 ILE 40 -10.416 0.230 3.133 362 3HG2 ILE 40 3HG2 ILE 40 -9.098 -0.400 2.116 363 1HD1 ILE 40 1HD1 ILE 40 -7.230 0.357 5.398 364 2HD1 ILE 40 2HD1 ILE 40 -6.920 -0.927 4.205 365 3HD1 ILE 40 3HD1 ILE 40 -7.877 0.502 3.746 366 H SER 41 H SER 41 -12.582 -2.382 2.421 367 HA SER 41 HA SER 41 -12.052 -5.156 1.689 368 1HB SER 41 1HB SER 41 -14.279 -5.558 1.721 369 2HB SER 41 2HB SER 41 -14.455 -4.018 2.539 370 HG SER 41 HG SER 41 -15.769 -3.759 0.795 371 H PHE 42 H PHE 42 -11.623 -5.616 -0.494 372 HA PHE 42 HA PHE 42 -11.548 -3.261 -2.244 373 1HB PHE 42 1HB PHE 42 -9.905 -5.835 -1.959 374 2HB PHE 42 2HB PHE 42 -9.812 -4.879 -3.425 375 HD1 PHE 42 HD1 PHE 42 -8.211 -5.488 -0.450 376 HD2 PHE 42 HD2 PHE 42 -9.476 -2.225 -2.849 377 HE1 PHE 42 HE1 PHE 42 -6.464 -4.031 0.610 378 HE2 PHE 42 HE2 PHE 42 -7.729 -0.768 -1.789 379 HZ PHE 42 HZ PHE 42 -6.244 -1.688 -0.072 380 H GLU 43 H GLU 43 -12.687 -3.304 -4.148 381 HA GLU 43 HA GLU 43 -14.038 -3.983 -5.705 382 1HB GLU 43 1HB GLU 43 -12.589 -6.619 -5.255 383 2HB GLU 43 2HB GLU 43 -13.806 -6.435 -6.502 384 1HG GLU 43 1HG GLU 43 -11.386 -4.592 -6.261 385 2HG GLU 43 2HG GLU 43 -11.388 -6.038 -7.251 386 H GLY 44 H GLY 44 -15.119 -3.797 -3.105 387 1HA GLY 44 1HA GLY 44 -17.314 -4.201 -2.445 388 2HA GLY 44 2HA GLY 44 -17.325 -5.710 -3.334 389 H GLY 45 H GLY 45 -15.406 -7.305 -2.505 390 1HA GLY 45 1HA GLY 45 -14.648 -7.182 0.203 391 2HA GLY 45 2HA GLY 45 -16.130 -8.108 0.075 392 H LYS 46 H LYS 46 -13.636 -7.905 -2.502 393 HA LYS 46 HA LYS 46 -13.483 -10.757 -2.571 394 1HB LYS 46 1HB LYS 46 -13.362 -8.990 -4.506 395 2HB LYS 46 2HB LYS 46 -11.660 -8.916 -4.098 396 1HG LYS 46 1HG LYS 46 -12.656 -11.693 -4.247 397 2HG LYS 46 2HG LYS 46 -12.879 -10.826 -5.753 398 1HD LYS 46 1HD LYS 46 -10.307 -10.057 -5.063 399 2HD LYS 46 2HD LYS 46 -10.360 -11.687 -4.421 400 1HE LYS 46 1HE LYS 46 -11.539 -11.449 -7.137 401 2HE LYS 46 2HE LYS 46 -9.841 -11.021 -7.075 402 1HZ LYS 46 1HZ LYS 46 -10.217 -13.305 -5.547 403 2HZ LYS 46 2HZ LYS 46 -10.958 -13.549 -6.982 404 3HZ LYS 46 3HZ LYS 46 -9.375 -13.150 -6.937 405 H LEU 47 H LEU 47 -11.435 -8.033 -1.433 406 HA LEU 47 HA LEU 47 -9.838 -10.026 -0.007 407 1HB LEU 47 1HB LEU 47 -8.775 -9.163 -2.184 408 2HB LEU 47 2HB LEU 47 -8.577 -7.642 -1.338 409 HG LEU 47 HG LEU 47 -6.705 -9.567 -1.408 410 1HD1 LEU 47 1HD1 LEU 47 -5.597 -8.000 -0.296 411 2HD1 LEU 47 2HD1 LEU 47 -7.141 -7.160 -0.013 412 3HD1 LEU 47 3HD1 LEU 47 -6.529 -8.325 1.185 413 1HD2 LEU 47 1HD2 LEU 47 -8.124 -10.096 1.215 414 2HD2 LEU 47 2HD2 LEU 47 -8.181 -11.171 -0.203 415 3HD2 LEU 47 3HD2 LEU 47 -6.631 -10.859 0.615 416 H LYS 48 H LYS 48 -9.803 -9.603 2.135 417 HA LYS 48 HA LYS 48 -10.554 -6.882 2.932 418 1HB LYS 48 1HB LYS 48 -10.750 -9.373 4.633 419 2HB LYS 48 2HB LYS 48 -11.490 -7.810 4.913 420 1HG LYS 48 1HG LYS 48 -12.127 -9.620 2.534 421 2HG LYS 48 2HG LYS 48 -13.095 -9.523 3.992 422 1HD LYS 48 1HD LYS 48 -12.617 -6.836 2.986 423 2HD LYS 48 2HD LYS 48 -13.233 -7.835 1.685 424 1HE LYS 48 1HE LYS 48 -14.636 -8.203 4.291 425 2HE LYS 48 2HE LYS 48 -14.808 -6.604 3.594 426 1HZ LYS 48 1HZ LYS 48 -15.117 -8.676 1.676 427 2HZ LYS 48 2HZ LYS 48 -16.216 -8.775 2.880 428 3HZ LYS 48 3HZ LYS 48 -16.091 -7.406 1.999 429 H VAL 49 H VAL 49 -9.237 -5.697 4.305 430 HA VAL 49 HA VAL 49 -6.841 -7.049 5.294 431 HB VAL 49 HB VAL 49 -5.451 -5.196 4.529 432 1HG1 VAL 49 1HG1 VAL 49 -6.657 -7.205 2.884 433 2HG1 VAL 49 2HG1 VAL 49 -6.388 -5.750 1.895 434 3HG1 VAL 49 3HG1 VAL 49 -5.029 -6.496 2.769 435 1HG2 VAL 49 1HG2 VAL 49 -7.929 -4.219 3.069 436 2HG2 VAL 49 2HG2 VAL 49 -7.165 -3.434 4.472 437 3HG2 VAL 49 3HG2 VAL 49 -6.290 -3.541 2.926 438 H ARG 50 H ARG 50 -5.769 -5.791 7.056 439 HA ARG 50 HA ARG 50 -7.620 -3.905 8.258 440 1HB ARG 50 1HB ARG 50 -8.053 -5.879 9.535 441 2HB ARG 50 2HB ARG 50 -6.373 -6.377 9.511 442 1HG ARG 50 1HG ARG 50 -5.776 -4.972 11.256 443 2HG ARG 50 2HG ARG 50 -6.919 -3.727 10.794 444 1HD ARG 50 1HD ARG 50 -8.335 -4.470 12.404 445 2HD ARG 50 2HD ARG 50 -8.507 -5.978 11.529 446 HE ARG 50 HE ARG 50 -6.050 -5.901 13.096 447 1HH1 ARG 50 2HH2 ARG 50 -9.509 -6.522 13.266 448 2HH1 ARG 50 1HH2 ARG 50 -9.385 -7.553 14.653 449 1HH2 ARG 50 2HH1 ARG 50 -5.885 -7.261 14.925 450 2HH2 ARG 50 1HH1 ARG 50 -7.310 -7.976 15.603 451 H VAL 51 H VAL 51 -6.594 -2.048 9.013 452 HA VAL 51 HA VAL 51 -3.873 -1.672 8.433 453 HB VAL 51 HB VAL 51 -5.773 -0.073 10.161 454 1HG1 VAL 51 1HG1 VAL 51 -3.413 1.083 8.698 455 2HG1 VAL 51 2HG1 VAL 51 -4.284 1.704 10.121 456 3HG1 VAL 51 3HG1 VAL 51 -3.184 0.314 10.287 457 1HG2 VAL 51 1HG2 VAL 51 -6.863 0.285 8.236 458 2HG2 VAL 51 2HG2 VAL 51 -5.448 1.241 7.735 459 3HG2 VAL 51 3HG2 VAL 51 -5.574 -0.473 7.270 460 H LYS 52 H LYS 52 -2.034 -1.585 9.765 461 HA LYS 52 HA LYS 52 -2.445 -2.801 12.407 462 1HB LYS 52 1HB LYS 52 -0.851 -3.643 10.226 463 2HB LYS 52 2HB LYS 52 0.263 -3.029 11.431 464 1HG LYS 52 1HG LYS 52 -1.665 -4.510 12.901 465 2HG LYS 52 2HG LYS 52 -1.340 -5.478 11.477 466 1HD LYS 52 1HD LYS 52 0.596 -6.174 12.426 467 2HD LYS 52 2HD LYS 52 1.203 -4.532 12.341 468 1HE LYS 52 1HE LYS 52 1.192 -4.463 14.608 469 2HE LYS 52 2HE LYS 52 -0.558 -4.530 14.564 470 1HZ LYS 52 1HZ LYS 52 1.010 -6.401 15.635 471 2HZ LYS 52 2HZ LYS 52 -0.534 -6.653 15.166 472 3HZ LYS 52 3HZ LYS 52 0.698 -7.063 14.175 473 H ALA 53 H ALA 53 -0.692 -0.321 10.477 474 HA ALA 53 HA ALA 53 -0.721 1.485 12.641 475 1HB ALA 53 1HB ALA 53 1.444 1.414 13.450 476 2HB ALA 53 2HB ALA 53 1.187 -0.315 13.115 477 3HB ALA 53 3HB ALA 53 2.094 0.691 11.959 478 H ILE 54 H ILE 54 0.468 3.552 12.011 479 HA ILE 54 HA ILE 54 0.641 3.706 9.082 480 HB ILE 54 HB ILE 54 -1.416 4.714 10.198 481 1HG1 ILE 54 1HG1 ILE 54 -0.300 6.984 8.777 482 2HG1 ILE 54 2HG1 ILE 54 0.133 5.484 7.981 483 1HG2 ILE 54 1HG2 ILE 54 0.591 6.827 11.030 484 2HG2 ILE 54 2HG2 ILE 54 -1.179 6.913 11.199 485 3HG2 ILE 54 3HG2 ILE 54 -0.254 5.708 12.127 486 1HD1 ILE 54 1HD1 ILE 54 -2.622 6.598 8.553 487 2HD1 ILE 54 2HD1 ILE 54 -1.962 5.964 7.027 488 3HD1 ILE 54 3HD1 ILE 54 -2.403 4.845 8.339 489 H ARG 55 H ARG 55 2.241 5.152 8.220 490 HA ARG 55 HA ARG 55 4.000 6.369 10.121 491 1HB ARG 55 1HB ARG 55 4.701 3.907 8.556 492 2HB ARG 55 2HB ARG 55 5.923 5.163 8.575 493 1HG ARG 55 1HG ARG 55 5.902 5.195 11.053 494 2HG ARG 55 2HG ARG 55 4.602 4.020 11.082 495 1HD ARG 55 1HD ARG 55 6.044 2.276 10.791 496 2HD ARG 55 2HD ARG 55 6.836 3.058 9.437 497 HE ARG 55 HE ARG 55 8.517 3.798 10.884 498 1HH1 ARG 55 2HH2 ARG 55 5.691 2.903 12.780 499 2HH1 ARG 55 1HH2 ARG 55 6.492 3.099 14.303 500 1HH2 ARG 55 2HH1 ARG 55 9.574 4.057 12.894 501 2HH2 ARG 55 1HH1 ARG 55 8.715 3.761 14.368 502 H VAL 56 H VAL 56 5.550 7.883 9.032 503 HA VAL 56 HA VAL 56 4.774 8.440 6.255 504 HB VAL 56 HB VAL 56 5.453 10.595 8.234 505 1HG1 VAL 56 1HG1 VAL 56 3.469 11.287 6.276 506 2HG1 VAL 56 2HG1 VAL 56 5.116 11.930 6.481 507 3HG1 VAL 56 3HG1 VAL 56 4.841 10.498 5.460 508 1HG2 VAL 56 1HG2 VAL 56 2.684 10.663 7.993 509 2HG2 VAL 56 2HG2 VAL 56 3.046 8.936 8.228 510 3HG2 VAL 56 3HG2 VAL 56 3.609 10.133 9.419 511 H TYR 57 H TYR 57 6.457 9.153 4.878 512 HA TYR 57 HA TYR 57 9.130 9.113 6.097 513 1HB TYR 57 1HB TYR 57 7.920 7.740 3.633 514 2HB TYR 57 2HB TYR 57 9.649 8.005 3.730 515 HD1 TYR 57 HD1 TYR 57 11.028 6.448 4.823 516 HD2 TYR 57 HD2 TYR 57 6.815 6.401 5.569 517 HE1 TYR 57 HE1 TYR 57 11.278 4.289 6.141 518 HE2 TYR 57 HE2 TYR 57 7.080 4.242 6.885 519 HH TYR 57 HH TYR 57 9.804 2.349 6.712 520 H ASN 58 H ASN 58 10.794 9.913 4.291 521 HA ASN 58 HA ASN 58 9.945 12.530 3.699 522 1HB ASN 58 1HB ASN 58 12.460 10.897 3.294 523 2HB ASN 58 2HB ASN 58 12.295 12.375 2.367 524 1HD2 ASN 58 1HD2 ASN 58 12.368 10.975 5.586 525 2HD2 ASN 58 2HD2 ASN 58 12.810 12.403 6.461 526 H SER 59 H SER 59 10.705 9.519 1.834 527 HA SER 59 HA SER 59 8.981 10.397 -0.253 528 1HB SER 59 1HB SER 59 11.912 10.639 -0.509 529 2HB SER 59 2HB SER 59 11.207 9.667 -1.785 530 HG SER 59 HG SER 59 11.167 11.837 -2.460 531 H PHE 60 H PHE 60 8.908 8.591 -2.044 532 HA PHE 60 HA PHE 60 8.356 6.181 -0.824 533 1HB PHE 60 1HB PHE 60 8.751 7.336 -3.570 534 2HB PHE 60 2HB PHE 60 8.939 5.595 -3.502 535 HD1 PHE 60 HD1 PHE 60 7.016 4.250 -2.430 536 HD2 PHE 60 HD2 PHE 60 6.621 8.280 -3.701 537 HE1 PHE 60 HE1 PHE 60 4.522 3.977 -2.521 538 HE2 PHE 60 HE2 PHE 60 4.128 8.007 -3.792 539 HZ PHE 60 HZ PHE 60 3.108 5.859 -3.201 540 H ARG 61 H ARG 61 11.367 7.384 -2.363 541 HA ARG 61 HA ARG 61 12.650 4.993 -2.631 542 1HB ARG 61 1HB ARG 61 13.311 7.536 -3.204 543 2HB ARG 61 2HB ARG 61 14.197 7.420 -1.697 544 1HG ARG 61 1HG ARG 61 14.940 5.052 -2.888 545 2HG ARG 61 2HG ARG 61 14.704 6.056 -4.305 546 1HD ARG 61 1HD ARG 61 16.120 7.672 -2.410 547 2HD ARG 61 2HD ARG 61 16.896 6.101 -2.391 548 HE ARG 61 HE ARG 61 16.491 6.722 -5.112 549 1HH1 ARG 61 2HH2 ARG 61 18.259 8.084 -2.391 550 2HH1 ARG 61 1HH2 ARG 61 19.494 8.787 -3.382 551 1HH2 ARG 61 2HH1 ARG 61 18.120 7.650 -6.419 552 2HH2 ARG 61 1HH1 ARG 61 19.415 8.539 -5.688 553 H GLU 62 H GLU 62 12.569 7.283 0.183 554 HA GLU 62 HA GLU 62 14.307 5.824 1.769 555 1HB GLU 62 1HB GLU 62 12.328 8.022 2.155 556 2HB GLU 62 2HB GLU 62 12.710 7.107 3.600 557 1HG GLU 62 1HG GLU 62 14.307 8.904 3.511 558 2HG GLU 62 2HG GLU 62 15.186 7.454 3.068 559 H MET 63 H MET 63 10.863 5.450 1.022 560 HA MET 63 HA MET 63 10.333 3.785 3.248 561 1HB MET 63 1HB MET 63 8.896 5.070 1.098 562 2HB MET 63 2HB MET 63 8.516 3.362 1.003 563 1HG MET 63 1HG MET 63 8.152 3.567 3.626 564 2HG MET 63 2HG MET 63 8.014 5.283 3.296 565 1HE MET 63 1HE MET 63 5.569 1.801 1.892 566 2HE MET 63 2HE MET 63 6.319 2.543 0.458 567 3HE MET 63 3HE MET 63 7.336 2.001 1.815 568 H LEU 64 H LEU 64 10.895 3.241 -0.295 569 HA LEU 64 HA LEU 64 10.728 0.412 -0.019 570 1HB LEU 64 1HB LEU 64 11.706 2.202 -2.246 571 2HB LEU 64 2HB LEU 64 11.589 0.457 -2.366 572 HG LEU 64 HG LEU 64 9.576 0.879 -3.256 573 1HD1 LEU 64 1HD1 LEU 64 7.722 0.926 -1.680 574 2HD1 LEU 64 2HD1 LEU 64 9.010 -0.159 -1.104 575 3HD1 LEU 64 3HD1 LEU 64 8.815 1.456 -0.380 576 1HD2 LEU 64 1HD2 LEU 64 8.830 3.370 -1.850 577 2HD2 LEU 64 2HD2 LEU 64 10.279 3.467 -2.879 578 3HD2 LEU 64 3HD2 LEU 64 8.727 2.939 -3.574 579 H GLU 65 H GLU 65 13.231 2.876 0.334 580 HA GLU 65 HA GLU 65 15.382 1.090 -0.013 581 1HB GLU 65 1HB GLU 65 15.104 3.875 1.163 582 2HB GLU 65 2HB GLU 65 16.635 3.024 1.220 583 1HG GLU 65 1HG GLU 65 15.304 2.987 -1.447 584 2HG GLU 65 2HG GLU 65 15.784 4.581 -0.899 585 H LYS 66 H LYS 66 13.568 2.397 2.823 586 HA LYS 66 HA LYS 66 15.207 0.858 4.636 587 1HB LYS 66 1HB LYS 66 13.863 3.245 4.845 588 2HB LYS 66 2HB LYS 66 12.763 2.153 5.661 589 1HG LYS 66 1HG LYS 66 15.026 1.267 6.806 590 2HG LYS 66 2HG LYS 66 15.611 2.860 6.370 591 1HD LYS 66 1HD LYS 66 12.945 2.572 7.788 592 2HD LYS 66 2HD LYS 66 14.433 2.493 8.710 593 1HE LYS 66 1HE LYS 66 14.912 4.729 7.163 594 2HE LYS 66 2HE LYS 66 13.172 4.827 7.342 595 1HZ LYS 66 1HZ LYS 66 13.642 4.426 9.782 596 2HZ LYS 66 2HZ LYS 66 15.196 4.802 9.448 597 3HZ LYS 66 3HZ LYS 66 14.015 5.899 9.182 598 H GLU 67 H GLU 67 11.641 1.062 3.933 599 HA GLU 67 HA GLU 67 11.073 -1.309 5.227 600 1HB GLU 67 1HB GLU 67 9.618 0.712 4.026 601 2HB GLU 67 2HB GLU 67 9.321 -0.622 2.928 602 1HG GLU 67 1HG GLU 67 7.621 -0.563 4.736 603 2HG GLU 67 2HG GLU 67 8.553 -2.045 4.800 604 H GLY 68 H GLY 68 11.461 -0.628 1.675 605 1HA GLY 68 1HA GLY 68 12.968 -2.366 0.627 606 2HA GLY 68 2HA GLY 68 11.823 -3.531 1.260 607 H LEU 69 H LEU 69 12.682 -2.169 -1.553 608 HA LEU 69 HA LEU 69 10.358 -1.055 -2.603 609 1HB LEU 69 1HB LEU 69 12.294 -0.650 -3.785 610 2HB LEU 69 2HB LEU 69 12.824 -2.319 -3.721 611 HG LEU 69 HG LEU 69 10.890 -2.864 -5.294 612 1HD1 LEU 69 1HD1 LEU 69 9.389 -1.258 -5.634 613 2HD1 LEU 69 2HD1 LEU 69 10.449 -0.010 -4.936 614 3HD1 LEU 69 3HD1 LEU 69 10.610 -0.456 -6.651 615 1HD2 LEU 69 1HD2 LEU 69 12.597 -1.071 -6.868 616 2HD2 LEU 69 2HD2 LEU 69 13.497 -2.140 -5.764 617 3HD2 LEU 69 3HD2 LEU 69 12.378 -2.835 -6.962 618 H GLU 70 H GLU 70 11.640 -4.441 -2.963 619 HA GLU 70 HA GLU 70 9.285 -5.330 -4.168 620 1HB GLU 70 1HB GLU 70 11.811 -6.521 -3.152 621 2HB GLU 70 2HB GLU 70 10.443 -7.615 -3.129 622 1HG GLU 70 1HG GLU 70 9.996 -7.100 -5.541 623 2HG GLU 70 2HG GLU 70 11.372 -6.015 -5.561 624 H ASN 71 H ASN 71 9.886 -4.351 -0.984 625 HA ASN 71 HA ASN 71 8.107 -6.305 0.170 626 1HB ASN 71 1HB ASN 71 9.729 -3.988 1.335 627 2HB ASN 71 2HB ASN 71 8.614 -4.927 2.307 628 1HD2 ASN 71 1HD2 ASN 71 11.401 -5.177 0.138 629 2HD2 ASN 71 2HD2 ASN 71 12.132 -6.570 0.863 630 H VAL 72 H VAL 72 7.676 -3.710 -1.752 631 HA VAL 72 HA VAL 72 5.237 -2.901 -0.366 632 HB VAL 72 HB VAL 72 7.289 -1.016 -1.544 633 1HG1 VAL 72 1HG1 VAL 72 4.424 -0.723 -1.029 634 2HG1 VAL 72 2HG1 VAL 72 5.403 0.491 -0.173 635 3HG1 VAL 72 3HG1 VAL 72 5.537 0.325 -1.940 636 1HG2 VAL 72 1HG2 VAL 72 6.670 -0.310 1.112 637 2HG2 VAL 72 2HG2 VAL 72 6.911 -2.073 1.123 638 3HG2 VAL 72 3HG2 VAL 72 8.189 -1.004 0.498 639 H LEU 73 H LEU 73 7.233 -2.566 -3.384 640 HA LEU 73 HA LEU 73 4.731 -2.963 -4.874 641 1HB LEU 73 1HB LEU 73 6.001 -0.706 -4.972 642 2HB LEU 73 2HB LEU 73 7.155 -1.570 -5.970 643 HG LEU 73 HG LEU 73 4.788 -2.231 -7.191 644 1HD1 LEU 73 1HD1 LEU 73 3.148 -0.844 -6.648 645 2HD1 LEU 73 2HD1 LEU 73 4.219 0.046 -5.539 646 3HD1 LEU 73 3HD1 LEU 73 4.123 0.516 -7.253 647 1HD2 LEU 73 1HD2 LEU 73 7.098 -0.574 -7.714 648 2HD2 LEU 73 2HD2 LEU 73 6.130 -1.567 -8.829 649 3HD2 LEU 73 3HD2 LEU 73 5.642 0.108 -8.478 650 HA PRO 74 HA PRO 74 7.198 -6.585 -5.724 651 1HB PRO 74 1HB PRO 74 5.127 -8.367 -5.783 652 2HB PRO 74 2HB PRO 74 6.046 -8.014 -4.334 653 1HG PRO 74 1HG PRO 74 3.320 -7.132 -5.061 654 2HG PRO 74 2HG PRO 74 4.082 -7.155 -3.483 655 1HD PRO 74 1HD PRO 74 3.660 -4.861 -5.151 656 2HD PRO 74 2HD PRO 74 4.524 -4.904 -3.627 657 H GLY 75 H GLY 75 8.036 -6.603 -7.706 658 1HA GLY 75 1HA GLY 75 7.437 -7.642 -9.886 659 2HA GLY 75 2HA GLY 75 6.038 -6.587 -9.888 660 H VAL 76 H VAL 76 7.461 -4.285 -8.622 661 HA VAL 76 HA VAL 76 8.109 -2.791 -10.733 662 HB VAL 76 HB VAL 76 8.009 -2.270 -8.216 663 1HG1 VAL 76 1HG1 VAL 76 9.733 -2.768 -6.887 664 2HG1 VAL 76 2HG1 VAL 76 10.424 -3.707 -8.232 665 3HG1 VAL 76 3HG1 VAL 76 10.889 -2.004 -8.005 666 1HG2 VAL 76 1HG2 VAL 76 8.213 -0.491 -9.783 667 2HG2 VAL 76 2HG2 VAL 76 9.470 -0.222 -8.551 668 3HG2 VAL 76 3HG2 VAL 76 9.909 -0.900 -10.137 669 H LYS 77 H LYS 77 10.147 -2.069 -11.738 670 HA LYS 77 HA LYS 77 11.826 -4.363 -12.256 671 1HB LYS 77 1HB LYS 77 11.561 -1.623 -13.509 672 2HB LYS 77 2HB LYS 77 12.827 -2.746 -13.962 673 1HG LYS 77 1HG LYS 77 10.658 -4.416 -14.098 674 2HG LYS 77 2HG LYS 77 9.883 -2.892 -14.482 675 1HD LYS 77 1HD LYS 77 10.671 -3.060 -16.599 676 2HD LYS 77 2HD LYS 77 12.302 -2.900 -15.980 677 1HE LYS 77 1HE LYS 77 11.848 -5.541 -15.403 678 2HE LYS 77 2HE LYS 77 10.819 -5.366 -16.811 679 1HZ LYS 77 1HZ LYS 77 12.602 -5.352 -18.076 680 2HZ LYS 77 2HZ LYS 77 13.270 -4.097 -17.270 681 3HZ LYS 77 3HZ LYS 77 13.548 -5.628 -16.773 682 H SER 78 H SER 78 11.921 -1.210 -10.591 683 HA SER 78 HA SER 78 14.080 -2.036 -9.043 684 1HB SER 78 1HB SER 78 15.286 -1.530 -11.223 685 2HB SER 78 2HB SER 78 14.777 0.139 -11.063 686 HG SER 78 HG SER 78 16.207 0.482 -9.465 687 H ILE 79 H ILE 79 14.932 -0.008 -7.697 688 HA ILE 79 HA ILE 79 12.718 1.189 -6.537 689 HB ILE 79 HB ILE 79 15.639 1.952 -6.454 690 1HG1 ILE 79 1HG1 ILE 79 13.944 -0.001 -4.918 691 2HG1 ILE 79 2HG1 ILE 79 15.517 -0.236 -5.655 692 1HG2 ILE 79 1HG2 ILE 79 15.202 3.266 -4.539 693 2HG2 ILE 79 2HG2 ILE 79 14.010 3.767 -5.762 694 3HG2 ILE 79 3HG2 ILE 79 13.520 2.692 -4.430 695 1HD1 ILE 79 1HD1 ILE 79 15.915 -0.083 -3.293 696 2HD1 ILE 79 2HD1 ILE 79 16.433 1.480 -3.968 697 3HD1 ILE 79 3HD1 ILE 79 14.865 1.345 -3.136 698 H GLU 80 H GLU 80 14.850 2.223 -9.212 699 HA GLU 80 HA GLU 80 13.982 4.869 -9.245 700 1HB GLU 80 1HB GLU 80 15.646 3.102 -10.875 701 2HB GLU 80 2HB GLU 80 14.683 4.153 -11.895 702 1HG GLU 80 1HG GLU 80 15.771 5.649 -9.624 703 2HG GLU 80 2HG GLU 80 17.057 4.833 -10.492 704 H GLU 81 H GLU 81 12.909 1.914 -11.043 705 HA GLU 81 HA GLU 81 11.017 3.233 -12.582 706 1HB GLU 81 1HB GLU 81 11.530 0.379 -11.776 707 2HB GLU 81 2HB GLU 81 9.987 0.750 -12.518 708 1HG GLU 81 1HG GLU 81 12.105 2.083 -14.002 709 2HG GLU 81 2HG GLU 81 12.511 0.388 -13.816 710 H GLY 82 H GLY 82 10.917 1.816 -9.292 711 1HA GLY 82 1HA GLY 82 8.205 1.698 -8.833 712 2HA GLY 82 2HA GLY 82 9.426 2.048 -7.625 713 H ILE 83 H ILE 83 10.448 4.535 -8.584 714 HA ILE 83 HA ILE 83 8.512 6.280 -7.545 715 HB ILE 83 HB ILE 83 11.206 6.528 -8.798 716 1HG1 ILE 83 1HG1 ILE 83 10.447 7.887 -6.270 717 2HG1 ILE 83 2HG1 ILE 83 10.381 6.136 -6.246 718 1HG2 ILE 83 1HG2 ILE 83 9.362 8.874 -8.269 719 2HG2 ILE 83 2HG2 ILE 83 11.108 8.985 -8.595 720 3HG2 ILE 83 3HG2 ILE 83 10.008 8.356 -9.844 721 1HD1 ILE 83 1HD1 ILE 83 12.712 5.988 -7.037 722 2HD1 ILE 83 2HD1 ILE 83 12.790 7.760 -7.186 723 3HD1 ILE 83 3HD1 ILE 83 12.627 7.009 -5.580 724 H GLN 84 H GLN 84 9.456 5.321 -10.866 725 HA GLN 84 HA GLN 84 8.072 7.338 -12.164 726 1HB GLN 84 1HB GLN 84 9.164 4.641 -12.896 727 2HB GLN 84 2HB GLN 84 7.993 5.341 -13.997 728 1HG GLN 84 1HG GLN 84 10.587 6.651 -13.056 729 2HG GLN 84 2HG GLN 84 10.279 6.001 -14.654 730 1HE2 GLN 84 1HE2 GLN 84 10.874 8.740 -13.486 731 2HE2 GLN 84 2HE2 GLN 84 9.703 9.802 -14.193 732 H VAL 85 H VAL 85 7.062 4.161 -10.853 733 HA VAL 85 HA VAL 85 4.550 4.092 -12.116 734 HB VAL 85 HB VAL 85 5.930 2.712 -9.872 735 1HG1 VAL 85 1HG1 VAL 85 3.880 1.448 -9.291 736 2HG1 VAL 85 2HG1 VAL 85 3.765 3.171 -8.857 737 3HG1 VAL 85 3HG1 VAL 85 2.927 2.560 -10.304 738 1HG2 VAL 85 1HG2 VAL 85 6.054 2.008 -12.286 739 2HG2 VAL 85 2HG2 VAL 85 5.483 0.746 -11.169 740 3HG2 VAL 85 3HG2 VAL 85 4.320 1.616 -12.197 741 H TYR 86 H TYR 86 5.649 5.243 -8.859 742 HA TYR 86 HA TYR 86 3.124 6.001 -7.953 743 1HB TYR 86 1HB TYR 86 5.822 7.379 -7.436 744 2HB TYR 86 2HB TYR 86 4.504 7.207 -6.295 745 HD1 TYR 86 HD1 TYR 86 4.034 4.177 -7.111 746 HD2 TYR 86 HD2 TYR 86 7.450 6.441 -5.882 747 HE1 TYR 86 HE1 TYR 86 5.111 2.066 -6.191 748 HE2 TYR 86 HE2 TYR 86 8.516 4.322 -4.966 749 HH TYR 86 HH TYR 86 8.038 1.589 -5.738 750 H ARG 87 H ARG 87 5.260 7.443 -10.336 751 HA ARG 87 HA ARG 87 4.318 10.066 -10.008 752 1HB ARG 87 1HB ARG 87 6.263 8.684 -11.615 753 2HB ARG 87 2HB ARG 87 5.224 9.556 -12.724 754 1HG ARG 87 1HG ARG 87 5.738 11.340 -10.547 755 2HG ARG 87 2HG ARG 87 7.277 10.601 -10.945 756 1HD ARG 87 1HD ARG 87 6.368 11.135 -13.472 757 2HD ARG 87 2HD ARG 87 5.560 12.420 -12.597 758 HE ARG 87 HE ARG 87 8.227 12.418 -11.676 759 1HH1 ARG 87 2HH2 ARG 87 6.549 12.913 -14.729 760 2HH1 ARG 87 1HH2 ARG 87 7.755 13.981 -15.365 761 1HH2 ARG 87 2HH1 ARG 87 9.818 13.828 -12.514 762 2HH2 ARG 87 1HH1 ARG 87 9.626 14.505 -14.097 763 H ARG 88 H ARG 88 3.570 7.341 -12.282 764 HA ARG 88 HA ARG 88 1.628 8.854 -13.653 765 1HB ARG 88 1HB ARG 88 1.318 6.906 -14.980 766 2HB ARG 88 2HB ARG 88 2.991 6.781 -14.476 767 1HG ARG 88 1HG ARG 88 2.437 4.694 -13.740 768 2HG ARG 88 2HG ARG 88 1.701 5.512 -12.377 769 1HD ARG 88 1HD ARG 88 -0.443 5.104 -13.115 770 2HD ARG 88 2HD ARG 88 -0.035 5.400 -14.793 771 HE ARG 88 HE ARG 88 -0.138 2.828 -13.508 772 1HH1 ARG 88 2HH2 ARG 88 1.735 4.628 -15.882 773 2HH1 ARG 88 1HH2 ARG 88 2.254 3.212 -16.734 774 1HH2 ARG 88 2HH1 ARG 88 0.546 0.960 -14.632 775 2HH2 ARG 88 1HH1 ARG 88 1.573 1.112 -16.018 776 H PHE 89 H PHE 89 1.727 7.006 -10.692 777 HA PHE 89 HA PHE 89 -1.133 6.526 -10.700 778 1HB PHE 89 1HB PHE 89 1.346 5.651 -9.296 779 2HB PHE 89 2HB PHE 89 0.024 5.924 -8.178 780 HD1 PHE 89 HD1 PHE 89 1.364 3.756 -10.738 781 HD2 PHE 89 HD2 PHE 89 -2.089 4.622 -8.429 782 HE1 PHE 89 HE1 PHE 89 0.427 1.495 -11.292 783 HE2 PHE 89 HE2 PHE 89 -3.027 2.361 -8.983 784 HZ PHE 89 HZ PHE 89 -1.758 0.824 -10.408 785 H TYR 90 H TYR 90 1.329 8.204 -8.608 786 HA TYR 90 HA TYR 90 -0.870 9.922 -7.672 787 1HB TYR 90 1HB TYR 90 1.814 9.604 -6.286 788 2HB TYR 90 2HB TYR 90 0.239 9.838 -5.553 789 HD1 TYR 90 HD1 TYR 90 2.750 7.638 -5.483 790 HD2 TYR 90 HD2 TYR 90 -1.396 7.667 -6.539 791 HE1 TYR 90 HE1 TYR 90 2.601 5.148 -4.995 792 HE2 TYR 90 HE2 TYR 90 -1.531 5.176 -6.047 793 HH TYR 90 HH TYR 90 0.212 3.241 -6.073 794 H ASP 91 H ASP 91 -0.476 12.186 -7.467 795 HA ASP 91 HA ASP 91 1.160 13.204 -9.470 796 1HB ASP 91 1HB ASP 91 0.329 14.928 -7.143 797 2HB ASP 91 2HB ASP 91 0.289 15.296 -8.856 798 H GLU 92 H GLU 92 3.187 14.393 -9.285 799 HA GLU 92 HA GLU 92 4.816 13.488 -7.158 800 1HB GLU 92 1HB GLU 92 5.398 14.017 -9.683 801 2HB GLU 92 2HB GLU 92 5.634 15.655 -9.106 802 1HG GLU 92 1HG GLU 92 7.047 14.315 -7.194 803 2HG GLU 92 2HG GLU 92 7.231 13.185 -8.521 804 H GLU 93 H GLU 93 3.042 16.464 -7.970 805 HA GLU 93 HA GLU 93 4.414 18.121 -6.188 806 1HB GLU 93 1HB GLU 93 2.393 18.405 -8.118 807 2HB GLU 93 2HB GLU 93 1.594 18.840 -6.620 808 1HG GLU 93 1HG GLU 93 4.340 19.976 -7.019 809 2HG GLU 93 2HG GLU 93 3.095 20.589 -8.089 810 H LYS 94 H LYS 94 1.278 16.308 -5.941 811 HA LYS 94 HA LYS 94 0.742 17.107 -3.311 812 1HB LYS 94 1HB LYS 94 -0.371 15.303 -5.310 813 2HB LYS 94 2HB LYS 94 -0.478 14.619 -3.701 814 1HG LYS 94 1HG LYS 94 -1.164 17.493 -3.748 815 2HG LYS 94 2HG LYS 94 -2.201 16.544 -4.794 816 1HD LYS 94 1HD LYS 94 -3.285 16.485 -2.671 817 2HD LYS 94 2HD LYS 94 -2.504 14.922 -2.805 818 1HE LYS 94 1HE LYS 94 -1.775 15.502 -0.680 819 2HE LYS 94 2HE LYS 94 -0.469 16.207 -1.612 820 1HZ LYS 94 1HZ LYS 94 -1.615 17.657 0.075 821 2HZ LYS 94 2HZ LYS 94 -1.395 18.305 -1.407 822 3HZ LYS 94 3HZ LYS 94 -2.868 17.753 -0.968 823 H GLU 95 H GLU 95 2.699 14.472 -4.729 824 HA GLU 95 HA GLU 95 2.981 13.036 -2.362 825 1HB GLU 95 1HB GLU 95 3.480 12.197 -4.687 826 2HB GLU 95 2HB GLU 95 4.916 13.200 -4.714 827 1HG GLU 95 1HG GLU 95 4.619 11.409 -2.330 828 2HG GLU 95 2HG GLU 95 4.908 10.604 -3.859 829 H LYS 96 H LYS 96 5.134 15.479 -3.975 830 HA LYS 96 HA LYS 96 7.041 15.466 -1.909 831 1HB LYS 96 1HB LYS 96 6.419 17.270 -4.236 832 2HB LYS 96 2HB LYS 96 7.606 17.755 -3.042 833 1HG LYS 96 1HG LYS 96 7.785 14.959 -4.168 834 2HG LYS 96 2HG LYS 96 8.293 16.291 -5.186 835 1HD LYS 96 1HD LYS 96 9.376 16.645 -2.502 836 2HD LYS 96 2HD LYS 96 9.774 15.042 -3.088 837 1HE LYS 96 1HE LYS 96 10.800 15.960 -5.115 838 2HE LYS 96 2HE LYS 96 10.233 17.573 -4.732 839 1HZ LYS 96 1HZ LYS 96 12.443 17.444 -4.037 840 2HZ LYS 96 2HZ LYS 96 11.573 17.364 -2.657 841 3HZ LYS 96 3HZ LYS 96 12.243 16.011 -3.280 842 H LYS 97 H LYS 97 3.833 16.761 -2.158 843 HA LYS 97 HA LYS 97 4.182 18.987 -0.455 844 1HB LYS 97 1HB LYS 97 2.027 17.651 -1.875 845 2HB LYS 97 2HB LYS 97 1.520 18.117 -0.264 846 1HG LYS 97 1HG LYS 97 2.865 20.388 -0.989 847 2HG LYS 97 2HG LYS 97 2.344 19.842 -2.571 848 1HD LYS 97 1HD LYS 97 0.173 19.612 -0.604 849 2HD LYS 97 2HD LYS 97 0.793 21.250 -0.671 850 1HE LYS 97 1HE LYS 97 0.661 20.786 -3.335 851 2HE LYS 97 2HE LYS 97 -0.565 19.643 -2.825 852 1HZ LYS 97 1HZ LYS 97 -1.888 21.295 -2.073 853 2HZ LYS 97 2HZ LYS 97 -0.665 22.308 -1.695 854 3HZ LYS 97 3HZ LYS 97 -1.125 22.129 -3.251 855 H TYR 98 H TYR 98 2.747 15.696 0.131 856 HA TYR 98 HA TYR 98 3.213 16.139 2.987 857 1HB TYR 98 1HB TYR 98 1.547 14.300 1.186 858 2HB TYR 98 2HB TYR 98 1.786 13.870 2.868 859 HD1 TYR 98 HD1 TYR 98 1.582 16.455 4.256 860 HD2 TYR 98 HD2 TYR 98 -0.688 14.927 0.967 861 HE1 TYR 98 HE1 TYR 98 -0.376 17.939 4.909 862 HE2 TYR 98 HE2 TYR 98 -2.638 16.416 1.631 863 HH TYR 98 HH TYR 98 -2.296 18.947 3.858 864 H GLY 99 H GLY 99 3.594 13.551 0.456 865 1HA GLY 99 1HA GLY 99 5.863 12.634 0.266 866 2HA GLY 99 2HA GLY 99 5.907 12.562 2.017 867 H VAL 100 H VAL 100 6.392 10.203 1.564 868 HA VAL 100 HA VAL 100 3.996 8.706 0.812 869 HB VAL 100 HB VAL 100 6.713 7.536 1.315 870 1HG1 VAL 100 1HG1 VAL 100 5.976 5.936 -0.419 871 2HG1 VAL 100 2HG1 VAL 100 4.856 5.994 0.964 872 3HG1 VAL 100 3HG1 VAL 100 4.434 6.815 -0.558 873 1HG2 VAL 100 1HG2 VAL 100 7.441 9.155 -0.162 874 2HG2 VAL 100 2HG2 VAL 100 6.946 7.868 -1.288 875 3HG2 VAL 100 3HG2 VAL 100 5.872 9.258 -0.997 876 H VAL 101 H VAL 101 3.320 6.869 2.162 877 HA VAL 101 HA VAL 101 4.268 7.034 4.921 878 HB VAL 101 HB VAL 101 1.803 6.812 5.578 879 1HG1 VAL 101 1HG1 VAL 101 1.694 9.509 4.861 880 2HG1 VAL 101 2HG1 VAL 101 2.378 8.829 6.357 881 3HG1 VAL 101 3HG1 VAL 101 3.433 9.146 4.959 882 1HG2 VAL 101 1HG2 VAL 101 1.390 8.110 2.865 883 2HG2 VAL 101 2HG2 VAL 101 0.989 6.418 3.247 884 3HG2 VAL 101 3HG2 VAL 101 0.149 7.744 4.088 885 H ALA 102 H ALA 102 5.139 5.038 5.201 886 HA ALA 102 HA ALA 102 4.037 2.791 3.781 887 1HB ALA 102 1HB ALA 102 6.118 1.989 4.076 888 2HB ALA 102 2HB ALA 102 6.535 3.538 4.847 889 3HB ALA 102 3HB ALA 102 5.995 2.164 5.843 890 H ILE 103 H ILE 103 1.991 2.263 4.527 891 HA ILE 103 HA ILE 103 1.663 2.026 7.417 892 HB ILE 103 HB ILE 103 -0.713 1.891 6.929 893 1HG1 ILE 103 1HG1 ILE 103 0.087 2.140 4.014 894 2HG1 ILE 103 2HG1 ILE 103 -0.590 0.714 4.775 895 1HG2 ILE 103 1HG2 ILE 103 -0.110 4.237 5.290 896 2HG2 ILE 103 2HG2 ILE 103 -0.869 4.116 6.896 897 3HG2 ILE 103 3HG2 ILE 103 0.905 4.117 6.748 898 1HD1 ILE 103 1HD1 ILE 103 -2.053 3.367 4.938 899 2HD1 ILE 103 2HD1 ILE 103 -2.204 2.330 3.500 900 3HD1 ILE 103 3HD1 ILE 103 -2.710 1.720 5.094 901 H GLU 104 H GLU 104 1.408 0.077 8.453 902 HA GLU 104 HA GLU 104 1.967 -2.221 6.809 903 1HB GLU 104 1HB GLU 104 3.222 -1.746 8.954 904 2HB GLU 104 2HB GLU 104 1.738 -2.023 9.844 905 1HG GLU 104 1HG GLU 104 1.754 -4.317 9.453 906 2HG GLU 104 2HG GLU 104 2.540 -4.161 7.895 907 H ILE 105 H ILE 105 0.379 -3.567 6.080 908 HA ILE 105 HA ILE 105 -2.104 -3.645 7.646 909 HB ILE 105 HB ILE 105 -3.421 -3.546 5.739 910 1HG1 ILE 105 1HG1 ILE 105 -2.206 -5.142 4.354 911 2HG1 ILE 105 2HG1 ILE 105 -2.611 -3.701 3.441 912 1HG2 ILE 105 1HG2 ILE 105 -2.545 -1.507 4.471 913 2HG2 ILE 105 2HG2 ILE 105 -2.756 -1.351 6.231 914 3HG2 ILE 105 3HG2 ILE 105 -1.131 -1.591 5.548 915 1HD1 ILE 105 1HD1 ILE 105 -0.171 -2.932 4.345 916 2HD1 ILE 105 2HD1 ILE 105 0.068 -4.696 4.338 917 3HD1 ILE 105 3HD1 ILE 105 -0.389 -3.854 2.838 918 H GLU 106 H GLU 106 -3.385 -5.703 7.201 919 HA GLU 106 HA GLU 106 -1.703 -7.866 6.305 920 1HB GLU 106 1HB GLU 106 -2.646 -9.092 8.519 921 2HB GLU 106 2HB GLU 106 -1.102 -8.263 8.485 922 1HG GLU 106 1HG GLU 106 -1.887 -6.434 9.704 923 2HG GLU 106 2HG GLU 106 -3.526 -6.593 9.104 924 HA PRO 107 HA PRO 107 -5.791 -8.622 4.816 925 1HB PRO 107 1HB PRO 107 -5.078 -10.256 2.745 926 2HB PRO 107 2HB PRO 107 -5.155 -8.511 2.606 927 1HG PRO 107 1HG PRO 107 -2.774 -10.251 2.811 928 2HG PRO 107 2HG PRO 107 -2.877 -8.592 2.254 929 1HD PRO 107 1HD PRO 107 -1.911 -9.490 4.801 930 2HD PRO 107 2HD PRO 107 -2.123 -7.828 4.287 931 H LEU 108 H LEU 108 -6.957 -9.724 6.280 932 HA LEU 108 HA LEU 108 -5.995 -12.298 7.079 933 1HB LEU 108 1HB LEU 108 -8.741 -11.368 7.734 934 2HB LEU 108 2HB LEU 108 -7.563 -12.204 8.727 935 HG LEU 108 HG LEU 108 -6.390 -9.714 8.248 936 1HD1 LEU 108 1HD1 LEU 108 -8.982 -9.302 7.551 937 2HD1 LEU 108 2HD1 LEU 108 -9.036 -8.925 9.290 938 3HD1 LEU 108 3HD1 LEU 108 -7.905 -8.055 8.226 939 1HD2 LEU 108 1HD2 LEU 108 -7.877 -10.883 10.601 940 2HD2 LEU 108 2HD2 LEU 108 -6.122 -10.794 10.322 941 3HD2 LEU 108 3HD2 LEU 108 -7.043 -9.313 10.677 942 H GLU 109 H GLU 109 -5.889 -13.432 5.042 943 HA GLU 109 HA GLU 109 -8.556 -14.137 4.088 944 1HB GLU 109 1HB GLU 109 -7.395 -12.886 2.354 945 2HB GLU 109 2HB GLU 109 -5.950 -13.860 2.535 946 1HG GLU 109 1HG GLU 109 -8.392 -15.457 1.983 947 2HG GLU 109 2HG GLU 109 -7.987 -14.334 0.700 948 H TYR 110 H TYR 110 -5.831 -15.156 5.795 949 HA TYR 110 HA TYR 110 -5.077 -17.128 6.471 950 1HB TYR 110 1HB TYR 110 -7.728 -17.295 6.640 951 2HB TYR 110 2HB TYR 110 -7.620 -18.294 5.205 952 HD1 TYR 110 HD1 TYR 110 -6.777 -18.083 8.796 953 HD2 TYR 110 HD2 TYR 110 -6.802 -20.569 5.314 954 HE1 TYR 110 HE1 TYR 110 -6.338 -20.126 10.243 955 HE2 TYR 110 HE2 TYR 110 -6.363 -22.604 6.773 956 HH TYR 110 HH TYR 110 -5.611 -23.225 8.811 Start of MODEL 5 1 HA MET 1 HA MET 1 -16.688 2.058 10.215 2 1HB MET 1 1HB MET 1 -15.344 4.269 8.562 3 2HB MET 1 2HB MET 1 -16.942 3.634 8.223 4 1HG MET 1 1HG MET 1 -16.132 4.944 10.865 5 2HG MET 1 2HG MET 1 -16.986 5.765 9.574 6 1HE MET 1 1HE MET 1 -19.891 5.375 9.288 7 2HE MET 1 2HE MET 1 -20.244 5.580 11.020 8 3HE MET 1 3HE MET 1 -18.877 6.448 10.281 9 H GLU 2 H GLU 2 -17.209 0.744 8.360 10 HA GLU 2 HA GLU 2 -15.037 -0.788 7.483 11 1HB GLU 2 1HB GLU 2 -17.660 -1.294 7.749 12 2HB GLU 2 2HB GLU 2 -17.684 -0.866 6.050 13 1HG GLU 2 1HG GLU 2 -15.727 -2.532 5.744 14 2HG GLU 2 2HG GLU 2 -16.060 -3.079 7.375 15 H TRP 3 H TRP 3 -13.539 -0.105 6.013 16 HA TRP 3 HA TRP 3 -14.310 1.889 4.061 17 1HB TRP 3 1HB TRP 3 -11.681 0.643 4.854 18 2HB TRP 3 2HB TRP 3 -11.843 1.712 3.475 19 HD1 TRP 3 HD1 TRP 3 -11.465 1.810 7.226 20 HE1 TRP 3 HE1 TRP 3 -11.453 4.273 8.175 21 HE3 TRP 3 HE3 TRP 3 -13.018 4.035 2.925 22 HZ2 TRP 3 HZ2 TRP 3 -12.081 6.817 7.045 23 HZ3 TRP 3 HZ3 TRP 3 -13.293 6.512 2.933 24 HH2 TRP 3 HH2 TRP 3 -12.853 7.895 4.900 25 H GLU 4 H GLU 4 -14.686 1.453 1.897 26 HA GLU 4 HA GLU 4 -14.072 -1.260 1.033 27 1HB GLU 4 1HB GLU 4 -16.213 -1.379 -0.163 28 2HB GLU 4 2HB GLU 4 -16.497 -1.090 1.542 29 1HG GLU 4 1HG GLU 4 -16.317 1.501 0.606 30 2HG GLU 4 2HG GLU 4 -16.998 0.697 -0.794 31 H MET 5 H MET 5 -13.060 -1.394 -0.959 32 HA MET 5 HA MET 5 -13.016 1.084 -2.500 33 1HB MET 5 1HB MET 5 -10.732 -0.946 -2.312 34 2HB MET 5 2HB MET 5 -10.653 0.665 -2.996 35 1HG MET 5 1HG MET 5 -11.118 0.003 -0.047 36 2HG MET 5 2HG MET 5 -9.626 0.614 -0.734 37 1HE MET 5 1HE MET 5 -11.139 2.526 1.700 38 2HE MET 5 2HE MET 5 -9.557 2.225 0.940 39 3HE MET 5 3HE MET 5 -10.299 3.840 0.842 40 H GLY 6 H GLY 6 -11.376 -0.101 -4.635 41 1HA GLY 6 1HA GLY 6 -12.741 -2.449 -5.591 42 2HA GLY 6 2HA GLY 6 -13.243 -0.979 -6.402 43 H LEU 7 H LEU 7 -10.097 -2.360 -5.186 44 HA LEU 7 HA LEU 7 -8.693 -1.197 -7.384 45 1HB LEU 7 1HB LEU 7 -6.777 -2.492 -6.392 46 2HB LEU 7 2HB LEU 7 -7.516 -1.267 -5.381 47 HG LEU 7 HG LEU 7 -8.562 -4.032 -5.063 48 1HD1 LEU 7 1HD1 LEU 7 -5.709 -3.390 -4.794 49 2HD1 LEU 7 2HD1 LEU 7 -6.434 -4.107 -3.336 50 3HD1 LEU 7 3HD1 LEU 7 -6.535 -4.963 -4.893 51 1HD2 LEU 7 1HD2 LEU 7 -8.419 -1.543 -3.564 52 2HD2 LEU 7 2HD2 LEU 7 -9.505 -2.940 -3.369 53 3HD2 LEU 7 3HD2 LEU 7 -7.904 -2.942 -2.591 54 H GLN 8 H GLN 8 -7.032 -2.852 -8.537 55 HA GLN 8 HA GLN 8 -8.750 -4.489 -10.075 56 1HB GLN 8 1HB GLN 8 -6.223 -3.243 -10.405 57 2HB GLN 8 2HB GLN 8 -5.908 -4.961 -10.552 58 1HG GLN 8 1HG GLN 8 -8.051 -4.946 -12.119 59 2HG GLN 8 2HG GLN 8 -7.741 -3.225 -12.229 60 1HE2 GLN 8 1HE2 GLN 8 -7.632 -4.987 -14.386 61 2HE2 GLN 8 2HE2 GLN 8 -6.014 -5.069 -14.998 62 H GLU 9 H GLU 9 -8.339 -6.843 -10.518 63 HA GLU 9 HA GLU 9 -8.304 -8.256 -8.141 64 1HB GLU 9 1HB GLU 9 -8.862 -8.767 -10.870 65 2HB GLU 9 2HB GLU 9 -7.603 -9.911 -10.448 66 1HG GLU 9 1HG GLU 9 -8.962 -11.090 -9.017 67 2HG GLU 9 2HG GLU 9 -9.720 -9.645 -8.379 68 H GLU 10 H GLU 10 -5.796 -7.903 -10.739 69 HA GLU 10 HA GLU 10 -3.943 -9.589 -9.648 70 1HB GLU 10 1HB GLU 10 -4.080 -7.738 -11.789 71 2HB GLU 10 2HB GLU 10 -2.680 -7.245 -10.857 72 1HG GLU 10 1HG GLU 10 -1.971 -9.737 -10.869 73 2HG GLU 10 2HG GLU 10 -3.220 -9.986 -12.073 74 H PHE 11 H PHE 11 -4.834 -6.257 -8.765 75 HA PHE 11 HA PHE 11 -2.524 -5.820 -7.161 76 1HB PHE 11 1HB PHE 11 -4.833 -4.435 -8.199 77 2HB PHE 11 2HB PHE 11 -4.942 -4.296 -6.455 78 HD1 PHE 11 HD1 PHE 11 -2.151 -4.126 -8.943 79 HD2 PHE 11 HD2 PHE 11 -4.145 -2.289 -5.679 80 HE1 PHE 11 HE1 PHE 11 -0.493 -2.243 -8.990 81 HE2 PHE 11 HE2 PHE 11 -2.486 -0.405 -5.726 82 HZ PHE 11 HZ PHE 11 -0.680 -0.405 -7.381 83 H LEU 12 H LEU 12 -5.712 -7.303 -6.714 84 HA LEU 12 HA LEU 12 -5.839 -7.045 -3.922 85 1HB LEU 12 1HB LEU 12 -7.128 -8.839 -5.955 86 2HB LEU 12 2HB LEU 12 -7.377 -9.111 -4.241 87 HG LEU 12 HG LEU 12 -7.968 -6.478 -5.615 88 1HD1 LEU 12 1HD1 LEU 12 -9.321 -8.841 -6.077 89 2HD1 LEU 12 2HD1 LEU 12 -10.279 -8.067 -4.793 90 3HD1 LEU 12 3HD1 LEU 12 -9.960 -7.197 -6.313 91 1HD2 LEU 12 1HD2 LEU 12 -8.485 -5.664 -3.612 92 2HD2 LEU 12 2HD2 LEU 12 -9.469 -7.091 -3.206 93 3HD2 LEU 12 3HD2 LEU 12 -7.714 -7.107 -2.911 94 H GLU 13 H GLU 13 -4.523 -9.611 -6.103 95 HA GLU 13 HA GLU 13 -3.853 -11.357 -4.069 96 1HB GLU 13 1HB GLU 13 -3.884 -11.608 -6.704 97 2HB GLU 13 2HB GLU 13 -2.202 -11.130 -6.594 98 1HG GLU 13 1HG GLU 13 -1.884 -13.396 -6.319 99 2HG GLU 13 2HG GLU 13 -2.204 -13.009 -4.640 100 H LEU 14 H LEU 14 -2.265 -8.439 -5.329 101 HA LEU 14 HA LEU 14 0.299 -8.918 -4.342 102 1HB LEU 14 1HB LEU 14 -1.234 -6.391 -4.935 103 2HB LEU 14 2HB LEU 14 0.440 -6.387 -4.417 104 HG LEU 14 HG LEU 14 -0.750 -7.284 -7.013 105 1HD1 LEU 14 1HD1 LEU 14 0.113 -5.180 -7.272 106 2HD1 LEU 14 2HD1 LEU 14 1.413 -5.439 -6.084 107 3HD1 LEU 14 3HD1 LEU 14 1.533 -6.162 -7.706 108 1HD2 LEU 14 1HD2 LEU 14 0.360 -9.284 -6.553 109 2HD2 LEU 14 2HD2 LEU 14 1.543 -8.349 -7.499 110 3HD2 LEU 14 3HD2 LEU 14 1.708 -8.462 -5.730 111 H ILE 15 H ILE 15 -2.620 -7.398 -2.856 112 HA ILE 15 HA ILE 15 -1.398 -6.601 -0.495 113 HB ILE 15 HB ILE 15 -4.195 -7.240 -1.338 114 1HG1 ILE 15 1HG1 ILE 15 -4.311 -4.748 -0.453 115 2HG1 ILE 15 2HG1 ILE 15 -2.576 -4.800 -0.698 116 1HG2 ILE 15 1HG2 ILE 15 -4.637 -6.146 1.089 117 2HG2 ILE 15 2HG2 ILE 15 -4.647 -7.898 0.772 118 3HG2 ILE 15 3HG2 ILE 15 -3.193 -7.123 1.447 119 1HD1 ILE 15 1HD1 ILE 15 -2.769 -5.152 -3.022 120 2HD1 ILE 15 2HD1 ILE 15 -4.422 -5.798 -2.883 121 3HD1 ILE 15 3HD1 ILE 15 -4.129 -4.054 -2.686 122 H LYS 16 H LYS 16 -2.630 -9.769 -1.595 123 HA LYS 16 HA LYS 16 -2.563 -10.990 0.942 124 1HB LYS 16 1HB LYS 16 -3.330 -11.668 -1.692 125 2HB LYS 16 2HB LYS 16 -2.112 -12.841 -1.234 126 1HG LYS 16 1HG LYS 16 -3.393 -13.139 0.980 127 2HG LYS 16 2HG LYS 16 -4.673 -12.167 0.281 128 1HD LYS 16 1HD LYS 16 -3.624 -14.534 -1.285 129 2HD LYS 16 2HD LYS 16 -4.704 -14.828 0.064 130 1HE LYS 16 1HE LYS 16 -6.431 -13.382 -0.932 131 2HE LYS 16 2HE LYS 16 -5.341 -12.894 -2.214 132 1HZ LYS 16 1HZ LYS 16 -7.025 -14.943 -2.370 133 2HZ LYS 16 2HZ LYS 16 -5.688 -14.790 -3.295 134 3HZ LYS 16 3HZ LYS 16 -5.652 -15.725 -1.956 135 H LEU 17 H LEU 17 -0.136 -10.379 -1.606 136 HA LEU 17 HA LEU 17 1.803 -12.040 -0.257 137 1HB LEU 17 1HB LEU 17 1.722 -10.441 -2.789 138 2HB LEU 17 2HB LEU 17 3.265 -10.933 -2.119 139 HG LEU 17 HG LEU 17 1.339 -13.141 -2.286 140 1HD1 LEU 17 1HD1 LEU 17 2.147 -12.983 -4.953 141 2HD1 LEU 17 2HD1 LEU 17 0.502 -12.761 -4.309 142 3HD1 LEU 17 3HD1 LEU 17 1.559 -11.350 -4.557 143 1HD2 LEU 17 1HD2 LEU 17 3.227 -14.343 -3.149 144 2HD2 LEU 17 2HD2 LEU 17 4.112 -12.831 -3.464 145 3HD2 LEU 17 3HD2 LEU 17 3.776 -13.334 -1.789 146 H ARG 18 H ARG 18 0.616 -8.772 -0.162 147 HA ARG 18 HA ARG 18 3.047 -7.642 0.727 148 1HB ARG 18 1HB ARG 18 0.146 -6.696 0.738 149 2HB ARG 18 2HB ARG 18 1.428 -5.720 1.427 150 1HG ARG 18 1HG ARG 18 2.463 -5.347 -0.654 151 2HG ARG 18 2HG ARG 18 1.812 -6.812 -1.363 152 1HD ARG 18 1HD ARG 18 -0.239 -5.827 -1.879 153 2HD ARG 18 2HD ARG 18 -0.186 -4.732 -0.512 154 HE ARG 18 HE ARG 18 1.851 -4.226 -2.585 155 1HH1 ARG 18 2HH2 ARG 18 -1.355 -3.443 -1.364 156 2HH1 ARG 18 1HH2 ARG 18 -1.434 -1.918 -2.183 157 1HH2 ARG 18 2HH1 ARG 18 1.748 -2.215 -3.665 158 2HH2 ARG 18 1HH1 ARG 18 0.343 -1.215 -3.501 159 H LYS 19 H LYS 19 1.068 -9.905 2.128 160 HA LYS 19 HA LYS 19 0.780 -8.795 4.739 161 1HB LYS 19 1HB LYS 19 -0.722 -10.523 3.680 162 2HB LYS 19 2HB LYS 19 0.568 -11.692 3.877 163 1HG LYS 19 1HG LYS 19 0.275 -10.335 6.395 164 2HG LYS 19 2HG LYS 19 -1.336 -10.756 5.850 165 1HD LYS 19 1HD LYS 19 0.850 -12.838 5.662 166 2HD LYS 19 2HD LYS 19 0.140 -12.503 7.228 167 1HE LYS 19 1HE LYS 19 -2.109 -12.704 5.582 168 2HE LYS 19 2HE LYS 19 -1.031 -13.902 4.894 169 1HZ LYS 19 1HZ LYS 19 -1.972 -15.091 6.544 170 2HZ LYS 19 2HZ LYS 19 -0.721 -14.486 7.402 171 3HZ LYS 19 3HZ LYS 19 -2.204 -13.815 7.537 172 H LYS 20 H LYS 20 3.439 -9.892 2.942 173 HA LYS 20 HA LYS 20 4.862 -10.545 5.430 174 1HB LYS 20 1HB LYS 20 4.500 -12.427 3.716 175 2HB LYS 20 2HB LYS 20 5.631 -11.565 2.692 176 1HG LYS 20 1HG LYS 20 6.654 -11.775 5.434 177 2HG LYS 20 2HG LYS 20 6.265 -13.357 4.790 178 1HD LYS 20 1HD LYS 20 7.880 -13.241 3.121 179 2HD LYS 20 2HD LYS 20 7.739 -11.503 2.948 180 1HE LYS 20 1HE LYS 20 8.921 -11.193 5.139 181 2HE LYS 20 2HE LYS 20 9.073 -12.932 5.298 182 1HZ LYS 20 1HZ LYS 20 10.320 -11.204 3.294 183 2HZ LYS 20 2HZ LYS 20 11.045 -12.215 4.351 184 3HZ LYS 20 3HZ LYS 20 10.220 -12.819 3.077 185 H LYS 21 H LYS 21 4.333 -8.262 2.997 186 HA LYS 21 HA LYS 21 7.059 -7.218 3.336 187 1HB LYS 21 1HB LYS 21 5.169 -6.788 1.004 188 2HB LYS 21 2HB LYS 21 6.776 -6.112 1.167 189 1HG LYS 21 1HG LYS 21 7.831 -8.252 0.985 190 2HG LYS 21 2HG LYS 21 6.347 -9.115 1.336 191 1HD LYS 21 1HD LYS 21 5.375 -8.407 -0.825 192 2HD LYS 21 2HD LYS 21 6.781 -7.420 -1.168 193 1HE LYS 21 1HE LYS 21 8.161 -9.629 -0.908 194 2HE LYS 21 2HE LYS 21 6.620 -10.455 -1.023 195 1HZ LYS 21 1HZ LYS 21 6.499 -10.012 -3.179 196 2HZ LYS 21 2HZ LYS 21 6.994 -8.463 -3.028 197 3HZ LYS 21 3HZ LYS 21 8.094 -9.668 -3.105 198 H ILE 22 H ILE 22 4.967 -5.035 1.787 199 HA ILE 22 HA ILE 22 3.630 -3.998 4.052 200 HB ILE 22 HB ILE 22 6.381 -3.186 3.641 201 1HG1 ILE 22 1HG1 ILE 22 5.630 -3.887 5.789 202 2HG1 ILE 22 2HG1 ILE 22 5.997 -2.177 5.897 203 1HG2 ILE 22 1HG2 ILE 22 6.189 -0.835 3.672 204 2HG2 ILE 22 2HG2 ILE 22 5.146 -1.388 2.340 205 3HG2 ILE 22 3HG2 ILE 22 4.424 -0.899 3.892 206 1HD1 ILE 22 1HD1 ILE 22 3.327 -3.559 5.970 207 2HD1 ILE 22 2HD1 ILE 22 3.922 -2.191 6.940 208 3HD1 ILE 22 3HD1 ILE 22 3.399 -1.929 5.259 209 H GLU 23 H GLU 23 2.751 -1.680 3.443 210 HA GLU 23 HA GLU 23 2.572 -1.395 0.579 211 1HB GLU 23 1HB GLU 23 0.668 -2.759 0.792 212 2HB GLU 23 2HB GLU 23 0.267 -2.140 2.381 213 1HG GLU 23 1HG GLU 23 -1.302 -1.295 0.634 214 2HG GLU 23 2HG GLU 23 -0.445 0.013 1.426 215 H GLY 24 H GLY 24 3.391 0.671 0.461 216 1HA GLY 24 1HA GLY 24 2.248 2.672 2.317 217 2HA GLY 24 2HA GLY 24 3.871 2.724 1.657 218 H ARG 25 H ARG 25 2.510 4.991 1.251 219 HA ARG 25 HA ARG 25 2.524 5.295 -1.451 220 1HB ARG 25 1HB ARG 25 0.063 5.635 -1.939 221 2HB ARG 25 2HB ARG 25 0.480 3.965 -1.614 222 1HG ARG 25 1HG ARG 25 -0.100 5.072 0.933 223 2HG ARG 25 2HG ARG 25 -1.319 5.742 -0.133 224 1HD ARG 25 1HD ARG 25 -2.095 3.560 -0.802 225 2HD ARG 25 2HD ARG 25 -0.671 2.766 -0.159 226 HE ARG 25 HE ARG 25 -1.836 4.071 2.038 227 1HH1 ARG 25 2HH2 ARG 25 -2.823 1.613 -0.278 228 2HH1 ARG 25 1HH2 ARG 25 -3.909 0.831 0.821 229 1HH2 ARG 25 2HH1 ARG 25 -3.269 3.039 3.489 230 2HH2 ARG 25 1HH1 ARG 25 -4.164 1.648 2.979 231 H LEU 26 H LEU 26 0.966 7.468 -1.981 232 HA LEU 26 HA LEU 26 2.062 9.452 -0.315 233 1HB LEU 26 1HB LEU 26 1.768 10.401 -2.297 234 2HB LEU 26 2HB LEU 26 0.521 9.265 -2.771 235 HG LEU 26 HG LEU 26 -1.128 10.600 -1.430 236 1HD1 LEU 26 1HD1 LEU 26 1.205 11.850 -0.444 237 2HD1 LEU 26 2HD1 LEU 26 0.326 13.077 -1.387 238 3HD1 LEU 26 3HD1 LEU 26 -0.492 12.221 -0.058 239 1HD2 LEU 26 1HD2 LEU 26 -1.029 12.613 -3.078 240 2HD2 LEU 26 2HD2 LEU 26 0.315 11.710 -3.819 241 3HD2 LEU 26 3HD2 LEU 26 -1.299 10.969 -3.706 242 H TYR 27 H TYR 27 1.300 10.458 1.493 243 HA TYR 27 HA TYR 27 -0.929 9.307 2.812 244 1HB TYR 27 1HB TYR 27 1.301 10.474 3.645 245 2HB TYR 27 2HB TYR 27 0.483 11.989 3.318 246 HD1 TYR 27 HD1 TYR 27 0.081 12.969 5.398 247 HD2 TYR 27 HD2 TYR 27 -0.839 8.828 4.839 248 HE1 TYR 27 HE1 TYR 27 -0.984 12.886 7.706 249 HE2 TYR 27 HE2 TYR 27 -1.900 8.759 7.148 250 HH TYR 27 HH TYR 27 -2.037 9.843 9.097 251 H ASP 28 H ASP 28 -2.576 9.679 1.060 252 HA ASP 28 HA ASP 28 -3.297 12.288 0.391 253 1HB ASP 28 1HB ASP 28 -5.198 9.913 0.430 254 2HB ASP 28 2HB ASP 28 -5.216 11.282 -0.664 255 H GLU 29 H GLU 29 -5.995 12.653 0.812 256 HA GLU 29 HA GLU 29 -6.086 13.312 3.534 257 1HB GLU 29 1HB GLU 29 -8.113 13.405 1.274 258 2HB GLU 29 2HB GLU 29 -8.554 13.870 2.905 259 1HG GLU 29 1HG GLU 29 -6.061 15.058 1.662 260 2HG GLU 29 2HG GLU 29 -7.629 15.683 1.188 261 H LYS 30 H LYS 30 -7.713 10.797 1.505 262 HA LYS 30 HA LYS 30 -9.257 9.765 3.626 263 1HB LYS 30 1HB LYS 30 -8.753 9.186 0.808 264 2HB LYS 30 2HB LYS 30 -8.928 7.723 1.756 265 1HG LYS 30 1HG LYS 30 -11.142 8.153 2.281 266 2HG LYS 30 2HG LYS 30 -10.900 9.887 2.370 267 1HD LYS 30 1HD LYS 30 -10.440 9.038 -0.362 268 2HD LYS 30 2HD LYS 30 -11.962 8.358 0.180 269 1HE LYS 30 1HE LYS 30 -11.483 11.230 0.898 270 2HE LYS 30 2HE LYS 30 -11.716 10.896 -0.807 271 1HZ LYS 30 1HZ LYS 30 -13.830 11.190 0.000 272 2HZ LYS 30 2HZ LYS 30 -13.708 9.562 -0.001 273 3HZ LYS 30 3HZ LYS 30 -13.559 10.390 1.398 274 H ARG 31 H ARG 31 -5.978 9.089 2.338 275 HA ARG 31 HA ARG 31 -5.553 6.736 3.665 276 1HB ARG 31 1HB ARG 31 -3.598 8.980 2.957 277 2HB ARG 31 2HB ARG 31 -3.085 7.394 3.499 278 1HG ARG 31 1HG ARG 31 -4.817 7.915 1.035 279 2HG ARG 31 2HG ARG 31 -3.092 7.612 0.996 280 1HD ARG 31 1HD ARG 31 -3.529 5.381 2.157 281 2HD ARG 31 2HD ARG 31 -5.247 5.684 1.984 282 HE ARG 31 HE ARG 31 -3.357 4.997 -0.172 283 1HH1 ARG 31 2HH2 ARG 31 -6.548 6.238 0.642 284 2HH1 ARG 31 1HH2 ARG 31 -7.226 5.875 -0.910 285 1HH2 ARG 31 2HH1 ARG 31 -4.251 4.518 -2.220 286 2HH2 ARG 31 1HH1 ARG 31 -5.910 4.890 -2.549 287 H ARG 32 H ARG 32 -4.864 10.154 4.686 288 HA ARG 32 HA ARG 32 -3.769 9.443 7.132 289 1HB ARG 32 1HB ARG 32 -4.054 11.834 7.709 290 2HB ARG 32 2HB ARG 32 -3.481 11.680 6.060 291 1HG ARG 32 1HG ARG 32 -5.542 12.314 5.127 292 2HG ARG 32 2HG ARG 32 -6.463 11.769 6.515 293 1HD ARG 32 1HD ARG 32 -4.624 14.213 6.492 294 2HD ARG 32 2HD ARG 32 -6.370 14.272 6.353 295 HE ARG 32 HE ARG 32 -4.847 13.870 8.794 296 1HH1 ARG 32 2HH2 ARG 32 -7.900 13.099 7.224 297 2HH1 ARG 32 1HH2 ARG 32 -8.756 12.873 8.713 298 1HH2 ARG 32 2HH1 ARG 32 -5.975 13.572 10.759 299 2HH2 ARG 32 1HH1 ARG 32 -7.653 13.144 10.737 300 H GLN 33 H GLN 33 -7.047 9.510 5.944 301 HA GLN 33 HA GLN 33 -8.274 10.002 8.444 302 1HB GLN 33 1HB GLN 33 -9.083 9.844 5.733 303 2HB GLN 33 2HB GLN 33 -9.955 8.556 6.540 304 1HG GLN 33 1HG GLN 33 -10.150 10.709 8.341 305 2HG GLN 33 2HG GLN 33 -10.300 11.474 6.772 306 1HE2 GLN 33 1HE2 GLN 33 -11.780 10.383 5.204 307 2HE2 GLN 33 2HE2 GLN 33 -13.284 9.760 5.796 308 H ILE 34 H ILE 34 -7.106 7.160 6.652 309 HA ILE 34 HA ILE 34 -8.533 5.248 8.168 310 HB ILE 34 HB ILE 34 -6.045 5.054 6.471 311 1HG1 ILE 34 1HG1 ILE 34 -8.822 4.122 5.750 312 2HG1 ILE 34 2HG1 ILE 34 -8.321 5.778 5.469 313 1HG2 ILE 34 1HG2 ILE 34 -7.767 2.712 7.243 314 2HG2 ILE 34 2HG2 ILE 34 -6.103 2.738 6.611 315 3HG2 ILE 34 3HG2 ILE 34 -6.427 3.246 8.286 316 1HD1 ILE 34 1HD1 ILE 34 -7.273 3.239 4.216 317 2HD1 ILE 34 2HD1 ILE 34 -7.722 4.777 3.441 318 3HD1 ILE 34 3HD1 ILE 34 -6.193 4.648 4.345 319 H LYS 35 H LYS 35 -7.888 3.995 9.957 320 HA LYS 35 HA LYS 35 -5.376 4.792 11.217 321 1HB LYS 35 1HB LYS 35 -6.372 5.256 13.312 322 2HB LYS 35 2HB LYS 35 -7.277 6.177 12.127 323 1HG LYS 35 1HG LYS 35 -8.356 3.447 12.556 324 2HG LYS 35 2HG LYS 35 -8.377 4.433 14.005 325 1HD LYS 35 1HD LYS 35 -9.426 5.481 11.344 326 2HD LYS 35 2HD LYS 35 -10.445 4.566 12.437 327 1HE LYS 35 1HE LYS 35 -10.904 6.581 13.411 328 2HE LYS 35 2HE LYS 35 -9.335 6.417 14.172 329 1HZ LYS 35 1HZ LYS 35 -9.143 7.432 11.534 330 2HZ LYS 35 2HZ LYS 35 -10.071 8.384 12.483 331 3HZ LYS 35 3HZ LYS 35 -8.537 8.038 12.924 332 HA PRO 36 HA PRO 36 -5.104 0.568 12.046 333 1HB PRO 36 1HB PRO 36 -3.613 0.476 14.335 334 2HB PRO 36 2HB PRO 36 -2.918 0.747 12.750 335 1HG PRO 36 1HG PRO 36 -3.382 2.692 14.927 336 2HG PRO 36 2HG PRO 36 -2.327 2.833 13.535 337 1HD PRO 36 1HD PRO 36 -4.884 4.086 13.886 338 2HD PRO 36 2HD PRO 36 -3.882 4.133 12.449 339 H GLY 37 H GLY 37 -7.226 -0.107 12.253 340 1HA GLY 37 1HA GLY 37 -7.985 -1.495 14.392 341 2HA GLY 37 2HA GLY 37 -8.399 0.129 14.906 342 H ASP 38 H ASP 38 -8.530 -1.455 11.638 343 HA ASP 38 HA ASP 38 -11.350 -1.592 11.737 344 1HB ASP 38 1HB ASP 38 -10.050 0.792 10.613 345 2HB ASP 38 2HB ASP 38 -11.001 -0.036 9.396 346 H VAL 39 H VAL 39 -11.931 -1.762 8.991 347 HA VAL 39 HA VAL 39 -9.827 -3.438 7.846 348 HB VAL 39 HB VAL 39 -12.734 -4.216 8.154 349 1HG1 VAL 39 1HG1 VAL 39 -11.421 -4.845 5.983 350 2HG1 VAL 39 2HG1 VAL 39 -10.591 -6.012 7.040 351 3HG1 VAL 39 3HG1 VAL 39 -12.358 -6.093 6.839 352 1HG2 VAL 39 1HG2 VAL 39 -11.981 -4.870 10.186 353 2HG2 VAL 39 2HG2 VAL 39 -11.307 -6.240 9.270 354 3HG2 VAL 39 3HG2 VAL 39 -10.274 -4.849 9.681 355 H ILE 40 H ILE 40 -9.805 -3.459 5.544 356 HA ILE 40 HA ILE 40 -11.663 -1.526 4.343 357 HB ILE 40 HB ILE 40 -8.830 -1.909 3.422 358 1HG1 ILE 40 1HG1 ILE 40 -9.740 0.165 5.436 359 2HG1 ILE 40 2HG1 ILE 40 -8.852 -1.287 5.854 360 1HG2 ILE 40 1HG2 ILE 40 -9.590 0.687 2.949 361 2HG2 ILE 40 2HG2 ILE 40 -9.667 -0.649 1.776 362 3HG2 ILE 40 3HG2 ILE 40 -11.112 -0.206 2.716 363 1HD1 ILE 40 1HD1 ILE 40 -7.202 -0.424 3.916 364 2HD1 ILE 40 2HD1 ILE 40 -7.923 1.145 4.347 365 3HD1 ILE 40 3HD1 ILE 40 -7.076 0.185 5.584 366 H SER 41 H SER 41 -13.126 -2.854 3.348 367 HA SER 41 HA SER 41 -12.271 -5.296 2.200 368 1HB SER 41 1HB SER 41 -14.553 -5.708 1.800 369 2HB SER 41 2HB SER 41 -14.588 -4.681 3.220 370 HG SER 41 HG SER 41 -15.233 -2.918 1.987 371 H PHE 42 H PHE 42 -12.265 -5.853 -0.086 372 HA PHE 42 HA PHE 42 -12.135 -3.495 -1.832 373 1HB PHE 42 1HB PHE 42 -10.497 -6.088 -1.657 374 2HB PHE 42 2HB PHE 42 -10.431 -5.059 -3.073 375 HD1 PHE 42 HD1 PHE 42 -10.763 -2.516 -1.105 376 HD2 PHE 42 HD2 PHE 42 -8.049 -5.761 -1.441 377 HE1 PHE 42 HE1 PHE 42 -8.974 -1.132 -0.017 378 HE2 PHE 42 HE2 PHE 42 -6.260 -4.377 -0.353 379 HZ PHE 42 HZ PHE 42 -6.744 -2.079 0.346 380 H GLU 43 H GLU 43 -13.064 -3.674 -3.902 381 HA GLU 43 HA GLU 43 -14.622 -4.329 -5.283 382 1HB GLU 43 1HB GLU 43 -13.119 -6.958 -4.950 383 2HB GLU 43 2HB GLU 43 -14.320 -6.694 -6.199 384 1HG GLU 43 1HG GLU 43 -12.187 -4.599 -5.963 385 2HG GLU 43 2HG GLU 43 -11.661 -6.169 -6.537 386 H GLY 44 H GLY 44 -15.581 -4.233 -2.629 387 1HA GLY 44 1HA GLY 44 -17.698 -4.734 -1.833 388 2HA GLY 44 2HA GLY 44 -17.741 -6.193 -2.803 389 H GLY 45 H GLY 45 -15.743 -7.790 -2.184 390 1HA GLY 45 1HA GLY 45 -14.893 -7.785 0.523 391 2HA GLY 45 2HA GLY 45 -16.296 -8.817 0.330 392 H LYS 46 H LYS 46 -13.921 -8.219 -2.284 393 HA LYS 46 HA LYS 46 -13.505 -11.032 -2.546 394 1HB LYS 46 1HB LYS 46 -13.630 -9.153 -4.366 395 2HB LYS 46 2HB LYS 46 -11.929 -8.928 -4.008 396 1HG LYS 46 1HG LYS 46 -12.902 -11.747 -4.450 397 2HG LYS 46 2HG LYS 46 -12.773 -10.704 -5.851 398 1HD LYS 46 1HD LYS 46 -10.366 -10.146 -4.794 399 2HD LYS 46 2HD LYS 46 -10.591 -11.701 -4.019 400 1HE LYS 46 1HE LYS 46 -11.298 -12.424 -6.531 401 2HE LYS 46 2HE LYS 46 -10.273 -11.064 -6.945 402 1HZ LYS 46 1HZ LYS 46 -9.067 -13.152 -6.777 403 2HZ LYS 46 2HZ LYS 46 -8.502 -12.053 -5.709 404 3HZ LYS 46 3HZ LYS 46 -9.452 -13.278 -5.195 405 H LEU 47 H LEU 47 -11.674 -8.202 -1.302 406 HA LEU 47 HA LEU 47 -9.871 -10.110 -0.024 407 1HB LEU 47 1HB LEU 47 -9.062 -8.902 -2.267 408 2HB LEU 47 2HB LEU 47 -8.674 -7.625 -1.131 409 HG LEU 47 HG LEU 47 -6.819 -9.258 -1.710 410 1HD1 LEU 47 1HD1 LEU 47 -6.000 -9.380 0.655 411 2HD1 LEU 47 2HD1 LEU 47 -6.545 -7.767 0.135 412 3HD1 LEU 47 3HD1 LEU 47 -7.588 -8.766 1.176 413 1HD2 LEU 47 1HD2 LEU 47 -8.608 -11.214 -1.281 414 2HD2 LEU 47 2HD2 LEU 47 -6.850 -11.441 -1.116 415 3HD2 LEU 47 3HD2 LEU 47 -7.850 -11.155 0.329 416 H LYS 48 H LYS 48 -10.068 -9.799 2.122 417 HA LYS 48 HA LYS 48 -10.863 -7.130 3.012 418 1HB LYS 48 1HB LYS 48 -10.926 -9.778 4.491 419 2HB LYS 48 2HB LYS 48 -11.540 -8.248 5.084 420 1HG LYS 48 1HG LYS 48 -12.521 -9.563 2.508 421 2HG LYS 48 2HG LYS 48 -13.296 -9.794 4.063 422 1HD LYS 48 1HD LYS 48 -12.964 -6.974 3.777 423 2HD LYS 48 2HD LYS 48 -13.525 -7.546 2.219 424 1HE LYS 48 1HE LYS 48 -14.872 -8.346 4.838 425 2HE LYS 48 2HE LYS 48 -15.353 -6.929 3.926 426 1HZ LYS 48 1HZ LYS 48 -15.188 -9.538 2.623 427 2HZ LYS 48 2HZ LYS 48 -16.521 -9.111 3.465 428 3HZ LYS 48 3HZ LYS 48 -16.053 -8.227 2.174 429 H VAL 49 H VAL 49 -9.529 -5.844 4.223 430 HA VAL 49 HA VAL 49 -7.069 -7.076 5.222 431 HB VAL 49 HB VAL 49 -5.783 -5.173 4.408 432 1HG1 VAL 49 1HG1 VAL 49 -6.431 -5.686 1.804 433 2HG1 VAL 49 2HG1 VAL 49 -5.427 -6.743 2.826 434 3HG1 VAL 49 3HG1 VAL 49 -7.163 -7.084 2.626 435 1HG2 VAL 49 1HG2 VAL 49 -8.197 -3.866 4.184 436 2HG2 VAL 49 2HG2 VAL 49 -6.650 -3.306 3.504 437 3HG2 VAL 49 3HG2 VAL 49 -7.793 -4.215 2.486 438 H ARG 50 H ARG 50 -6.081 -5.858 7.009 439 HA ARG 50 HA ARG 50 -7.927 -3.945 8.173 440 1HB ARG 50 1HB ARG 50 -8.466 -5.844 9.480 441 2HB ARG 50 2HB ARG 50 -6.837 -6.487 9.406 442 1HG ARG 50 1HG ARG 50 -6.082 -5.180 11.165 443 2HG ARG 50 2HG ARG 50 -7.111 -3.824 10.746 444 1HD ARG 50 1HD ARG 50 -8.087 -4.622 12.750 445 2HD ARG 50 2HD ARG 50 -9.102 -5.341 11.515 446 HE ARG 50 HE ARG 50 -7.130 -7.248 11.882 447 1HH1 ARG 50 2HH2 ARG 50 -9.321 -5.567 14.063 448 2HH1 ARG 50 1HH2 ARG 50 -9.396 -6.872 15.199 449 1HH2 ARG 50 2HH1 ARG 50 -7.228 -8.970 13.380 450 2HH2 ARG 50 1HH1 ARG 50 -8.197 -8.821 14.808 451 H VAL 51 H VAL 51 -6.833 -2.065 8.661 452 HA VAL 51 HA VAL 51 -4.123 -1.764 8.245 453 HB VAL 51 HB VAL 51 -5.990 -0.139 9.985 454 1HG1 VAL 51 1HG1 VAL 51 -3.848 0.646 10.507 455 2HG1 VAL 51 2HG1 VAL 51 -3.248 0.406 8.848 456 3HG1 VAL 51 3HG1 VAL 51 -4.380 1.733 9.201 457 1HG2 VAL 51 1HG2 VAL 51 -6.083 -0.652 7.203 458 2HG2 VAL 51 2HG2 VAL 51 -7.014 0.550 8.128 459 3HG2 VAL 51 3HG2 VAL 51 -5.458 1.004 7.393 460 H LYS 52 H LYS 52 -2.285 -1.784 9.560 461 HA LYS 52 HA LYS 52 -2.728 -3.020 12.185 462 1HB LYS 52 1HB LYS 52 -1.115 -3.811 10.003 463 2HB LYS 52 2HB LYS 52 -0.008 -3.216 11.223 464 1HG LYS 52 1HG LYS 52 -1.952 -4.737 12.644 465 2HG LYS 52 2HG LYS 52 -1.581 -5.678 11.212 466 1HD LYS 52 1HD LYS 52 0.321 -6.374 12.229 467 2HD LYS 52 2HD LYS 52 0.934 -4.736 12.113 468 1HE LYS 52 1HE LYS 52 0.992 -4.783 14.395 469 2HE LYS 52 2HE LYS 52 -0.740 -4.526 14.311 470 1HZ LYS 52 1HZ LYS 52 0.586 -7.147 14.416 471 2HZ LYS 52 2HZ LYS 52 -0.216 -6.429 15.644 472 3HZ LYS 52 3HZ LYS 52 -1.028 -6.917 14.314 473 H ALA 53 H ALA 53 -0.948 -0.492 10.340 474 HA ALA 53 HA ALA 53 -1.012 1.266 12.539 475 1HB ALA 53 1HB ALA 53 1.160 -0.622 12.507 476 2HB ALA 53 2HB ALA 53 1.807 1.002 12.174 477 3HB ALA 53 3HB ALA 53 0.856 0.707 13.650 478 H ILE 54 H ILE 54 0.290 3.319 11.981 479 HA ILE 54 HA ILE 54 0.456 3.545 9.056 480 HB ILE 54 HB ILE 54 -1.504 4.648 10.437 481 1HG1 ILE 54 1HG1 ILE 54 -0.873 6.706 8.648 482 2HG1 ILE 54 2HG1 ILE 54 -0.101 5.287 7.967 483 1HG2 ILE 54 1HG2 ILE 54 0.460 6.927 10.517 484 2HG2 ILE 54 2HG2 ILE 54 -1.119 6.763 11.323 485 3HG2 ILE 54 3HG2 ILE 54 0.277 5.819 11.898 486 1HD1 ILE 54 1HD1 ILE 54 -2.217 4.027 8.066 487 2HD1 ILE 54 2HD1 ILE 54 -3.016 5.400 8.870 488 3HD1 ILE 54 3HD1 ILE 54 -2.462 5.555 7.185 489 H ARG 55 H ARG 55 2.102 4.964 8.224 490 HA ARG 55 HA ARG 55 3.937 6.021 10.153 491 1HB ARG 55 1HB ARG 55 4.611 3.737 8.265 492 2HB ARG 55 2HB ARG 55 5.863 4.869 8.737 493 1HG ARG 55 1HG ARG 55 4.116 3.371 10.743 494 2HG ARG 55 2HG ARG 55 5.678 2.787 10.204 495 1HD ARG 55 1HD ARG 55 6.724 4.124 11.712 496 2HD ARG 55 2HD ARG 55 6.012 5.546 10.975 497 HE ARG 55 HE ARG 55 4.567 5.665 12.795 498 1HH1 ARG 55 2HH2 ARG 55 5.544 2.310 12.378 499 2HH1 ARG 55 1HH2 ARG 55 4.667 1.749 13.762 500 1HH2 ARG 55 2HH1 ARG 55 3.410 4.926 14.622 501 2HH2 ARG 55 1HH1 ARG 55 3.446 3.247 15.047 502 H VAL 56 H VAL 56 5.398 7.630 9.187 503 HA VAL 56 HA VAL 56 4.701 8.291 6.411 504 HB VAL 56 HB VAL 56 5.335 10.403 8.434 505 1HG1 VAL 56 1HG1 VAL 56 3.234 11.006 6.550 506 2HG1 VAL 56 2HG1 VAL 56 4.832 11.766 6.741 507 3HG1 VAL 56 3HG1 VAL 56 4.644 10.339 5.694 508 1HG2 VAL 56 1HG2 VAL 56 2.593 10.438 8.391 509 2HG2 VAL 56 2HG2 VAL 56 2.934 8.692 8.437 510 3HG2 VAL 56 3HG2 VAL 56 3.588 9.760 9.702 511 H TYR 57 H TYR 57 6.410 9.136 5.125 512 HA TYR 57 HA TYR 57 9.049 9.076 6.409 513 1HB TYR 57 1HB TYR 57 7.927 7.737 3.886 514 2HB TYR 57 2HB TYR 57 9.647 8.051 4.016 515 HD1 TYR 57 HD1 TYR 57 6.828 6.278 5.703 516 HD2 TYR 57 HD2 TYR 57 11.063 6.551 5.161 517 HE1 TYR 57 HE1 TYR 57 7.138 4.096 6.970 518 HE2 TYR 57 HE2 TYR 57 11.359 4.367 6.430 519 HH TYR 57 HH TYR 57 8.847 2.983 8.242 520 H ASN 58 H ASN 58 10.724 9.883 4.544 521 HA ASN 58 HA ASN 58 9.896 12.536 4.076 522 1HB ASN 58 1HB ASN 58 12.378 10.912 3.802 523 2HB ASN 58 2HB ASN 58 12.242 12.178 2.598 524 1HD2 ASN 58 1HD2 ASN 58 12.404 11.423 6.004 525 2HD2 ASN 58 2HD2 ASN 58 12.818 12.999 6.590 526 H SER 59 H SER 59 10.631 9.603 2.071 527 HA SER 59 HA SER 59 8.865 10.581 0.053 528 1HB SER 59 1HB SER 59 11.540 11.262 -0.240 529 2HB SER 59 2HB SER 59 11.450 9.768 -1.152 530 HG SER 59 HG SER 59 9.549 10.733 -2.277 531 H PHE 60 H PHE 60 9.118 8.811 -1.949 532 HA PHE 60 HA PHE 60 8.407 6.362 -0.745 533 1HB PHE 60 1HB PHE 60 8.779 7.604 -3.470 534 2HB PHE 60 2HB PHE 60 8.865 5.854 -3.439 535 HD1 PHE 60 HD1 PHE 60 6.888 4.650 -2.202 536 HD2 PHE 60 HD2 PHE 60 6.710 8.627 -3.672 537 HE1 PHE 60 HE1 PHE 60 4.381 4.526 -2.234 538 HE2 PHE 60 HE2 PHE 60 4.203 8.503 -3.704 539 HZ PHE 60 HZ PHE 60 3.069 6.454 -2.985 540 H ARG 61 H ARG 61 11.322 7.537 -2.529 541 HA ARG 61 HA ARG 61 12.578 5.137 -2.787 542 1HB ARG 61 1HB ARG 61 13.195 7.692 -3.461 543 2HB ARG 61 2HB ARG 61 14.244 7.547 -2.064 544 1HG ARG 61 1HG ARG 61 14.650 5.132 -3.460 545 2HG ARG 61 2HG ARG 61 14.510 6.329 -4.733 546 1HD ARG 61 1HD ARG 61 16.140 7.623 -2.861 547 2HD ARG 61 2HD ARG 61 16.665 5.956 -2.735 548 HE ARG 61 HE ARG 61 16.492 6.456 -5.491 549 1HH1 ARG 61 2HH2 ARG 61 18.271 7.804 -2.771 550 2HH1 ARG 61 1HH2 ARG 61 19.626 8.292 -3.734 551 1HH2 ARG 61 2HH1 ARG 61 18.279 7.099 -6.762 552 2HH2 ARG 61 1HH1 ARG 61 19.630 7.888 -6.019 553 H GLU 62 H GLU 62 12.230 7.280 0.042 554 HA GLU 62 HA GLU 62 14.268 6.025 1.537 555 1HB GLU 62 1HB GLU 62 12.186 8.112 1.984 556 2HB GLU 62 2HB GLU 62 12.673 7.234 3.420 557 1HG GLU 62 1HG GLU 62 14.265 8.946 3.401 558 2HG GLU 62 2HG GLU 62 15.135 7.686 2.548 559 H MET 63 H MET 63 10.799 5.488 0.979 560 HA MET 63 HA MET 63 10.487 3.788 3.219 561 1HB MET 63 1HB MET 63 8.867 4.990 1.134 562 2HB MET 63 2HB MET 63 8.542 3.268 1.125 563 1HG MET 63 1HG MET 63 7.839 3.273 3.427 564 2HG MET 63 2HG MET 63 8.547 4.847 3.728 565 1HE MET 63 1HE MET 63 6.700 4.166 0.319 566 2HE MET 63 2HE MET 63 6.050 2.951 1.447 567 3HE MET 63 3HE MET 63 5.000 4.254 0.840 568 H LEU 64 H LEU 64 10.804 3.272 -0.361 569 HA LEU 64 HA LEU 64 10.727 0.465 -0.172 570 1HB LEU 64 1HB LEU 64 11.692 2.378 -2.293 571 2HB LEU 64 2HB LEU 64 11.730 0.638 -2.498 572 HG LEU 64 HG LEU 64 9.725 0.965 -3.458 573 1HD1 LEU 64 1HD1 LEU 64 7.810 0.774 -1.916 574 2HD1 LEU 64 2HD1 LEU 64 9.145 -0.323 -1.489 575 3HD1 LEU 64 3HD1 LEU 64 8.885 1.169 -0.554 576 1HD2 LEU 64 1HD2 LEU 64 10.047 3.456 -3.302 577 2HD2 LEU 64 2HD2 LEU 64 8.355 2.903 -3.292 578 3HD2 LEU 64 3HD2 LEU 64 9.135 3.408 -1.774 579 H GLU 65 H GLU 65 13.224 2.893 0.365 580 HA GLU 65 HA GLU 65 15.366 1.076 0.021 581 1HB GLU 65 1HB GLU 65 15.067 3.890 1.079 582 2HB GLU 65 2HB GLU 65 16.564 3.028 1.371 583 1HG GLU 65 1HG GLU 65 15.416 3.067 -1.431 584 2HG GLU 65 2HG GLU 65 16.252 4.487 -0.836 585 H LYS 66 H LYS 66 13.404 2.307 2.768 586 HA LYS 66 HA LYS 66 15.026 0.873 4.674 587 1HB LYS 66 1HB LYS 66 13.418 3.139 4.769 588 2HB LYS 66 2HB LYS 66 12.467 1.936 5.617 589 1HG LYS 66 1HG LYS 66 14.884 1.393 6.730 590 2HG LYS 66 2HG LYS 66 15.158 3.075 6.321 591 1HD LYS 66 1HD LYS 66 12.559 2.375 7.680 592 2HD LYS 66 2HD LYS 66 14.017 2.342 8.652 593 1HE LYS 66 1HE LYS 66 14.480 4.662 8.252 594 2HE LYS 66 2HE LYS 66 13.383 4.737 6.887 595 1HZ LYS 66 1HZ LYS 66 11.677 4.055 8.708 596 2HZ LYS 66 2HZ LYS 66 12.767 4.734 9.717 597 3HZ LYS 66 3HZ LYS 66 12.109 5.618 8.511 598 H GLU 67 H GLU 67 11.494 0.827 3.795 599 HA GLU 67 HA GLU 67 11.074 -1.621 5.025 600 1HB GLU 67 1HB GLU 67 9.573 0.238 3.288 601 2HB GLU 67 2HB GLU 67 9.104 -1.434 3.055 602 1HG GLU 67 1HG GLU 67 9.265 -0.057 5.778 603 2HG GLU 67 2HG GLU 67 7.786 -0.257 4.860 604 H GLY 68 H GLY 68 11.522 -0.764 1.521 605 1HA GLY 68 1HA GLY 68 13.144 -2.354 0.434 606 2HA GLY 68 2HA GLY 68 12.073 -3.621 0.997 607 H LEU 69 H LEU 69 12.864 -1.858 -1.690 608 HA LEU 69 HA LEU 69 10.551 -0.904 -2.775 609 1HB LEU 69 1HB LEU 69 12.614 -0.523 -3.844 610 2HB LEU 69 2HB LEU 69 12.961 -2.235 -3.988 611 HG LEU 69 HG LEU 69 10.952 -2.378 -5.560 612 1HD1 LEU 69 1HD1 LEU 69 10.952 0.507 -4.957 613 2HD1 LEU 69 2HD1 LEU 69 10.831 0.100 -6.686 614 3HD1 LEU 69 3HD1 LEU 69 9.644 -0.554 -5.533 615 1HD2 LEU 69 1HD2 LEU 69 12.977 -2.637 -6.624 616 2HD2 LEU 69 2HD2 LEU 69 12.333 -1.194 -7.443 617 3HD2 LEU 69 3HD2 LEU 69 13.556 -1.019 -6.162 618 H GLU 70 H GLU 70 11.860 -4.276 -3.165 619 HA GLU 70 HA GLU 70 9.535 -5.166 -4.423 620 1HB GLU 70 1HB GLU 70 12.060 -6.329 -3.410 621 2HB GLU 70 2HB GLU 70 10.710 -7.443 -3.333 622 1HG GLU 70 1HG GLU 70 10.207 -6.997 -5.747 623 2HG GLU 70 2HG GLU 70 11.563 -5.888 -5.822 624 H ASN 71 H ASN 71 10.198 -4.356 -1.151 625 HA ASN 71 HA ASN 71 8.330 -6.270 -0.100 626 1HB ASN 71 1HB ASN 71 9.870 -3.978 1.231 627 2HB ASN 71 2HB ASN 71 8.874 -5.129 2.100 628 1HD2 ASN 71 1HD2 ASN 71 11.571 -4.736 2.609 629 2HD2 ASN 71 2HD2 ASN 71 12.468 -6.163 2.212 630 H VAL 72 H VAL 72 7.622 -4.009 -2.075 631 HA VAL 72 HA VAL 72 5.325 -3.055 -0.616 632 HB VAL 72 HB VAL 72 7.361 -1.150 -1.787 633 1HG1 VAL 72 1HG1 VAL 72 4.831 -0.640 -2.060 634 2HG1 VAL 72 2HG1 VAL 72 4.862 -0.340 -0.306 635 3HG1 VAL 72 3HG1 VAL 72 5.893 0.623 -1.391 636 1HG2 VAL 72 1HG2 VAL 72 6.553 -1.805 1.054 637 2HG2 VAL 72 2HG2 VAL 72 8.179 -1.813 0.327 638 3HG2 VAL 72 3HG2 VAL 72 7.341 -0.269 0.618 639 H LEU 73 H LEU 73 7.293 -2.596 -3.640 640 HA LEU 73 HA LEU 73 4.792 -3.024 -5.122 641 1HB LEU 73 1HB LEU 73 6.087 -0.756 -5.175 642 2HB LEU 73 2HB LEU 73 7.176 -1.606 -6.253 643 HG LEU 73 HG LEU 73 4.684 -2.184 -7.321 644 1HD1 LEU 73 1HD1 LEU 73 4.427 0.198 -5.705 645 2HD1 LEU 73 2HD1 LEU 73 4.170 0.571 -7.427 646 3HD1 LEU 73 3HD1 LEU 73 3.195 -0.689 -6.634 647 1HD2 LEU 73 1HD2 LEU 73 6.944 -0.361 -7.986 648 2HD2 LEU 73 2HD2 LEU 73 6.272 -1.742 -8.886 649 3HD2 LEU 73 3HD2 LEU 73 5.432 -0.173 -8.905 650 HA PRO 74 HA PRO 74 7.220 -6.618 -6.093 651 1HB PRO 74 1HB PRO 74 5.116 -8.336 -6.395 652 2HB PRO 74 2HB PRO 74 5.940 -8.090 -4.868 653 1HG PRO 74 1HG PRO 74 3.293 -7.092 -5.727 654 2HG PRO 74 2HG PRO 74 3.943 -7.224 -4.105 655 1HD PRO 74 1HD PRO 74 3.694 -4.830 -5.664 656 2HD PRO 74 2HD PRO 74 4.449 -4.982 -4.090 657 H GLY 75 H GLY 75 8.193 -6.563 -8.011 658 1HA GLY 75 1HA GLY 75 7.796 -7.428 -10.280 659 2HA GLY 75 2HA GLY 75 6.345 -6.446 -10.321 660 H VAL 76 H VAL 76 7.759 -4.239 -8.714 661 HA VAL 76 HA VAL 76 8.352 -2.503 -10.659 662 HB VAL 76 HB VAL 76 8.190 -1.875 -8.359 663 1HG1 VAL 76 1HG1 VAL 76 9.702 -4.074 -7.782 664 2HG1 VAL 76 2HG1 VAL 76 10.886 -2.767 -7.536 665 3HG1 VAL 76 3HG1 VAL 76 9.351 -2.759 -6.635 666 1HG2 VAL 76 1HG2 VAL 76 9.747 -0.162 -8.338 667 2HG2 VAL 76 2HG2 VAL 76 11.054 -1.193 -8.969 668 3HG2 VAL 76 3HG2 VAL 76 9.761 -0.629 -10.055 669 H LYS 77 H LYS 77 10.279 -1.722 -11.729 670 HA LYS 77 HA LYS 77 12.050 -3.907 -12.387 671 1HB LYS 77 1HB LYS 77 11.640 -1.131 -13.522 672 2HB LYS 77 2HB LYS 77 12.906 -2.209 -14.075 673 1HG LYS 77 1HG LYS 77 10.712 -3.895 -14.133 674 2HG LYS 77 2HG LYS 77 9.964 -2.358 -14.519 675 1HD LYS 77 1HD LYS 77 10.864 -2.343 -16.608 676 2HD LYS 77 2HD LYS 77 12.474 -2.659 -15.991 677 1HE LYS 77 1HE LYS 77 11.700 -5.128 -15.700 678 2HE LYS 77 2HE LYS 77 10.315 -4.694 -16.681 679 1HZ LYS 77 1HZ LYS 77 13.092 -4.893 -17.443 680 2HZ LYS 77 2HZ LYS 77 11.750 -5.293 -18.284 681 3HZ LYS 77 3HZ LYS 77 12.215 -3.730 -18.182 682 H SER 78 H SER 78 12.067 -0.780 -10.653 683 HA SER 78 HA SER 78 14.319 -1.566 -9.200 684 1HB SER 78 1HB SER 78 14.737 0.421 -11.453 685 2HB SER 78 2HB SER 78 15.731 0.489 -10.012 686 HG SER 78 HG SER 78 15.437 -1.772 -11.800 687 H ILE 79 H ILE 79 15.047 0.340 -7.704 688 HA ILE 79 HA ILE 79 12.837 1.390 -6.448 689 HB ILE 79 HB ILE 79 15.717 2.295 -6.421 690 1HG1 ILE 79 1HG1 ILE 79 14.150 0.291 -4.789 691 2HG1 ILE 79 2HG1 ILE 79 15.590 0.018 -5.749 692 1HG2 ILE 79 1HG2 ILE 79 13.664 2.857 -4.281 693 2HG2 ILE 79 2HG2 ILE 79 15.295 3.544 -4.476 694 3HG2 ILE 79 3HG2 ILE 79 13.998 3.995 -5.609 695 1HD1 ILE 79 1HD1 ILE 79 16.563 1.936 -4.091 696 2HD1 ILE 79 2HD1 ILE 79 15.322 1.233 -3.027 697 3HD1 ILE 79 3HD1 ILE 79 16.612 0.202 -3.690 698 H GLU 80 H GLU 80 14.832 2.698 -9.114 699 HA GLU 80 HA GLU 80 13.794 5.279 -8.982 700 1HB GLU 80 1HB GLU 80 15.547 3.729 -10.720 701 2HB GLU 80 2HB GLU 80 14.478 4.727 -11.686 702 1HG GLU 80 1HG GLU 80 15.421 6.289 -9.429 703 2HG GLU 80 2HG GLU 80 16.801 5.546 -10.213 704 H GLU 81 H GLU 81 12.889 2.379 -10.962 705 HA GLU 81 HA GLU 81 10.883 3.641 -12.380 706 1HB GLU 81 1HB GLU 81 11.419 0.748 -11.642 707 2HB GLU 81 2HB GLU 81 9.999 1.182 -12.572 708 1HG GLU 81 1HG GLU 81 12.170 2.581 -13.784 709 2HG GLU 81 2HG GLU 81 12.771 0.968 -13.454 710 H GLY 82 H GLY 82 10.898 1.992 -9.186 711 1HA GLY 82 1HA GLY 82 8.196 1.757 -8.706 712 2HA GLY 82 2HA GLY 82 9.425 2.042 -7.489 713 H ILE 83 H ILE 83 10.348 4.643 -8.398 714 HA ILE 83 HA ILE 83 8.400 6.245 -7.137 715 HB ILE 83 HB ILE 83 11.036 6.685 -8.470 716 1HG1 ILE 83 1HG1 ILE 83 10.379 7.776 -5.793 717 2HG1 ILE 83 2HG1 ILE 83 10.332 6.029 -5.925 718 1HG2 ILE 83 1HG2 ILE 83 10.798 9.135 -7.864 719 2HG2 ILE 83 2HG2 ILE 83 9.899 8.584 -9.299 720 3HG2 ILE 83 3HG2 ILE 83 9.045 8.845 -7.759 721 1HD1 ILE 83 1HD1 ILE 83 12.588 6.281 -5.483 722 2HD1 ILE 83 2HD1 ILE 83 12.650 6.448 -7.254 723 3HD1 ILE 83 3HD1 ILE 83 12.659 7.898 -6.222 724 H GLN 84 H GLN 84 9.181 5.440 -10.520 725 HA GLN 84 HA GLN 84 7.719 7.537 -11.640 726 1HB GLN 84 1HB GLN 84 8.947 4.981 -12.579 727 2HB GLN 84 2HB GLN 84 7.653 5.608 -13.581 728 1HG GLN 84 1HG GLN 84 10.199 7.078 -12.759 729 2HG GLN 84 2HG GLN 84 9.781 6.527 -14.369 730 1HE2 GLN 84 1HE2 GLN 84 10.210 9.200 -12.842 731 2HE2 GLN 84 2HE2 GLN 84 8.939 10.225 -13.420 732 H VAL 85 H VAL 85 6.875 4.255 -10.494 733 HA VAL 85 HA VAL 85 4.334 4.149 -11.694 734 HB VAL 85 HB VAL 85 5.815 2.713 -9.545 735 1HG1 VAL 85 1HG1 VAL 85 2.837 2.854 -9.760 736 2HG1 VAL 85 2HG1 VAL 85 3.577 1.265 -9.449 737 3HG1 VAL 85 3HG1 VAL 85 3.875 2.619 -8.333 738 1HG2 VAL 85 1HG2 VAL 85 4.263 1.220 -11.552 739 2HG2 VAL 85 2HG2 VAL 85 5.467 2.333 -12.246 740 3HG2 VAL 85 3HG2 VAL 85 5.975 1.082 -11.086 741 H TYR 86 H TYR 86 5.562 5.378 -8.539 742 HA TYR 86 HA TYR 86 2.990 5.926 -7.495 743 1HB TYR 86 1HB TYR 86 5.636 7.362 -6.905 744 2HB TYR 86 2HB TYR 86 4.356 7.001 -5.764 745 HD1 TYR 86 HD1 TYR 86 7.328 6.385 -5.424 746 HD2 TYR 86 HD2 TYR 86 4.075 4.036 -6.910 747 HE1 TYR 86 HE1 TYR 86 8.538 4.258 -4.733 748 HE2 TYR 86 HE2 TYR 86 5.296 1.918 -6.215 749 HH TYR 86 HH TYR 86 8.131 1.512 -5.851 750 H ARG 87 H ARG 87 5.237 7.655 -9.640 751 HA ARG 87 HA ARG 87 4.050 10.166 -9.206 752 1HB ARG 87 1HB ARG 87 6.307 9.123 -10.604 753 2HB ARG 87 2HB ARG 87 5.326 9.902 -11.830 754 1HG ARG 87 1HG ARG 87 5.678 12.012 -10.973 755 2HG ARG 87 2HG ARG 87 5.601 11.466 -9.309 756 1HD ARG 87 1HD ARG 87 7.924 10.323 -9.812 757 2HD ARG 87 2HD ARG 87 7.976 11.386 -11.205 758 HE ARG 87 HE ARG 87 8.341 13.212 -9.779 759 1HH1 ARG 87 2HH2 ARG 87 7.176 10.477 -7.894 760 2HH1 ARG 87 1HH2 ARG 87 7.458 11.246 -6.368 761 1HH2 ARG 87 2HH1 ARG 87 8.713 14.226 -7.765 762 2HH2 ARG 87 1HH1 ARG 87 8.338 13.392 -6.294 763 H ARG 88 H ARG 88 3.838 7.636 -11.801 764 HA ARG 88 HA ARG 88 2.192 8.956 -13.499 765 1HB ARG 88 1HB ARG 88 2.355 5.991 -12.789 766 2HB ARG 88 2HB ARG 88 1.368 6.575 -14.114 767 1HG ARG 88 1HG ARG 88 3.305 7.475 -15.277 768 2HG ARG 88 2HG ARG 88 4.336 7.235 -13.881 769 1HD ARG 88 1HD ARG 88 4.818 5.417 -15.391 770 2HD ARG 88 2HD ARG 88 3.883 4.723 -14.082 771 HE ARG 88 HE ARG 88 1.959 5.470 -15.953 772 1HH1 ARG 88 2HH2 ARG 88 4.828 3.434 -16.021 773 2HH1 ARG 88 1HH2 ARG 88 4.212 2.387 -17.256 774 1HH2 ARG 88 2HH1 ARG 88 1.146 4.090 -17.582 775 2HH2 ARG 88 1HH1 ARG 88 2.103 2.763 -18.150 776 H PHE 89 H PHE 89 1.386 7.021 -10.560 777 HA PHE 89 HA PHE 89 -1.437 7.427 -10.965 778 1HB PHE 89 1HB PHE 89 0.319 6.256 -8.724 779 2HB PHE 89 2HB PHE 89 -1.432 6.194 -8.694 780 HD1 PHE 89 HD1 PHE 89 -2.070 5.495 -11.482 781 HD2 PHE 89 HD2 PHE 89 1.008 4.051 -8.942 782 HE1 PHE 89 HE1 PHE 89 -2.017 3.341 -12.770 783 HE2 PHE 89 HE2 PHE 89 1.062 1.898 -10.231 784 HZ PHE 89 HZ PHE 89 -0.451 1.569 -12.130 785 H TYR 90 H TYR 90 1.031 8.320 -8.444 786 HA TYR 90 HA TYR 90 -0.832 10.349 -7.469 787 1HB TYR 90 1HB TYR 90 1.937 9.732 -6.367 788 2HB TYR 90 2HB TYR 90 0.487 10.139 -5.471 789 HD1 TYR 90 HD1 TYR 90 2.526 7.815 -5.034 790 HD2 TYR 90 HD2 TYR 90 -1.305 8.035 -6.925 791 HE1 TYR 90 HE1 TYR 90 2.134 5.352 -4.542 792 HE2 TYR 90 HE2 TYR 90 -1.684 5.571 -6.427 793 HH TYR 90 HH TYR 90 -0.511 3.633 -5.947 794 H ASP 91 H ASP 91 -0.425 12.548 -7.569 795 HA ASP 91 HA ASP 91 1.306 13.406 -9.559 796 1HB ASP 91 1HB ASP 91 0.451 15.284 -7.363 797 2HB ASP 91 2HB ASP 91 0.475 15.553 -9.094 798 H GLU 92 H GLU 92 3.391 14.447 -9.403 799 HA GLU 92 HA GLU 92 4.966 13.620 -7.255 800 1HB GLU 92 1HB GLU 92 6.771 14.823 -8.376 801 2HB GLU 92 2HB GLU 92 5.803 13.993 -9.578 802 1HG GLU 92 1HG GLU 92 4.495 16.183 -9.886 803 2HG GLU 92 2HG GLU 92 5.692 16.958 -8.868 804 H GLU 93 H GLU 93 3.436 16.760 -8.145 805 HA GLU 93 HA GLU 93 4.686 18.296 -6.234 806 1HB GLU 93 1HB GLU 93 2.730 18.663 -8.205 807 2HB GLU 93 2HB GLU 93 1.877 19.044 -6.722 808 1HG GLU 93 1HG GLU 93 4.231 20.370 -6.256 809 2HG GLU 93 2HG GLU 93 4.183 20.458 -8.005 810 H LYS 94 H LYS 94 1.457 16.624 -6.100 811 HA LYS 94 HA LYS 94 0.915 17.331 -3.458 812 1HB LYS 94 1HB LYS 94 -0.250 15.715 -5.544 813 2HB LYS 94 2HB LYS 94 -0.324 14.846 -4.024 814 1HG LYS 94 1HG LYS 94 -1.006 17.726 -3.775 815 2HG LYS 94 2HG LYS 94 -2.095 16.838 -4.823 816 1HD LYS 94 1HD LYS 94 -1.926 15.058 -2.759 817 2HD LYS 94 2HD LYS 94 -1.629 16.542 -1.875 818 1HE LYS 94 1HE LYS 94 -3.776 17.331 -2.193 819 2HE LYS 94 2HE LYS 94 -3.890 16.685 -3.819 820 1HZ LYS 94 1HZ LYS 94 -3.906 14.446 -2.571 821 2HZ LYS 94 2HZ LYS 94 -4.390 15.340 -1.292 822 3HZ LYS 94 3HZ LYS 94 -5.277 15.328 -2.663 823 H GLU 95 H GLU 95 2.769 14.631 -4.914 824 HA GLU 95 HA GLU 95 2.981 13.153 -2.570 825 1HB GLU 95 1HB GLU 95 3.483 12.418 -4.974 826 2HB GLU 95 2HB GLU 95 5.018 13.250 -4.832 827 1HG GLU 95 1HG GLU 95 4.253 11.290 -2.665 828 2HG GLU 95 2HG GLU 95 4.778 10.652 -4.211 829 H LYS 96 H LYS 96 5.251 15.528 -4.126 830 HA LYS 96 HA LYS 96 7.135 15.401 -2.042 831 1HB LYS 96 1HB LYS 96 6.782 16.773 -4.562 832 2HB LYS 96 2HB LYS 96 7.342 17.902 -3.345 833 1HG LYS 96 1HG LYS 96 9.003 15.867 -2.736 834 2HG LYS 96 2HG LYS 96 8.693 15.423 -4.402 835 1HD LYS 96 1HD LYS 96 9.490 18.264 -3.665 836 2HD LYS 96 2HD LYS 96 10.703 17.020 -3.898 837 1HE LYS 96 1HE LYS 96 9.169 16.640 -6.153 838 2HE LYS 96 2HE LYS 96 8.947 18.361 -5.911 839 1HZ LYS 96 1HZ LYS 96 10.880 18.440 -6.996 840 2HZ LYS 96 2HZ LYS 96 11.550 18.136 -5.538 841 3HZ LYS 96 3HZ LYS 96 11.330 16.919 -6.605 842 H LYS 97 H LYS 97 3.973 16.754 -2.240 843 HA LYS 97 HA LYS 97 4.388 18.981 -0.543 844 1HB LYS 97 1HB LYS 97 2.283 17.880 -2.085 845 2HB LYS 97 2HB LYS 97 1.696 17.947 -0.436 846 1HG LYS 97 1HG LYS 97 1.902 20.281 -0.300 847 2HG LYS 97 2HG LYS 97 3.186 20.348 -1.491 848 1HD LYS 97 1HD LYS 97 1.542 21.055 -2.916 849 2HD LYS 97 2HD LYS 97 1.139 19.353 -3.037 850 1HE LYS 97 1HE LYS 97 -0.938 19.982 -2.324 851 2HE LYS 97 2HE LYS 97 -0.218 20.053 -0.728 852 1HZ LYS 97 1HZ LYS 97 -1.285 22.101 -1.211 853 2HZ LYS 97 2HZ LYS 97 0.324 22.381 -1.188 854 3HZ LYS 97 3HZ LYS 97 -0.469 22.292 -2.613 855 H TYR 98 H TYR 98 2.903 15.711 0.039 856 HA TYR 98 HA TYR 98 3.369 16.138 2.894 857 1HB TYR 98 1HB TYR 98 1.720 14.296 1.081 858 2HB TYR 98 2HB TYR 98 1.947 13.870 2.766 859 HD1 TYR 98 HD1 TYR 98 1.262 15.681 4.530 860 HD2 TYR 98 HD2 TYR 98 -0.052 15.694 0.458 861 HE1 TYR 98 HE1 TYR 98 -0.704 17.164 5.162 862 HE2 TYR 98 HE2 TYR 98 -2.013 17.177 1.104 863 HH TYR 98 HH TYR 98 -3.299 17.733 2.999 864 H GLY 99 H GLY 99 3.842 13.635 0.302 865 1HA GLY 99 1HA GLY 99 6.149 12.760 0.197 866 2HA GLY 99 2HA GLY 99 6.063 12.557 1.936 867 H VAL 100 H VAL 100 6.076 10.352 2.251 868 HA VAL 100 HA VAL 100 3.876 8.886 0.989 869 HB VAL 100 HB VAL 100 6.552 7.599 1.381 870 1HG1 VAL 100 1HG1 VAL 100 4.408 7.126 -0.712 871 2HG1 VAL 100 2HG1 VAL 100 5.789 6.078 -0.306 872 3HG1 VAL 100 3HG1 VAL 100 4.461 6.293 0.860 873 1HG2 VAL 100 1HG2 VAL 100 7.228 9.462 0.086 874 2HG2 VAL 100 2HG2 VAL 100 6.997 8.133 -1.075 875 3HG2 VAL 100 3HG2 VAL 100 5.759 9.402 -0.917 876 H VAL 101 H VAL 101 3.152 7.019 2.249 877 HA VAL 101 HA VAL 101 4.170 6.977 4.987 878 HB VAL 101 HB VAL 101 1.739 6.827 5.719 879 1HG1 VAL 101 1HG1 VAL 101 2.761 8.750 6.460 880 2HG1 VAL 101 2HG1 VAL 101 3.177 9.297 4.818 881 3HG1 VAL 101 3HG1 VAL 101 1.505 9.447 5.409 882 1HG2 VAL 101 1HG2 VAL 101 1.234 6.878 2.991 883 2HG2 VAL 101 2HG2 VAL 101 0.041 7.134 4.287 884 3HG2 VAL 101 3HG2 VAL 101 0.833 8.531 3.518 885 H ALA 102 H ALA 102 4.923 4.933 5.205 886 HA ALA 102 HA ALA 102 3.750 2.818 3.641 887 1HB ALA 102 1HB ALA 102 5.929 2.246 3.769 888 2HB ALA 102 2HB ALA 102 6.217 3.352 5.133 889 3HB ALA 102 3HB ALA 102 5.584 1.715 5.432 890 H ILE 103 H ILE 103 1.674 2.344 4.348 891 HA ILE 103 HA ILE 103 1.249 2.054 7.204 892 HB ILE 103 HB ILE 103 -0.694 1.770 4.911 893 1HG1 ILE 103 1HG1 ILE 103 -1.202 4.171 6.237 894 2HG1 ILE 103 2HG1 ILE 103 0.544 4.139 6.087 895 1HG2 ILE 103 1HG2 ILE 103 -1.241 2.306 7.839 896 2HG2 ILE 103 2HG2 ILE 103 -2.421 1.982 6.547 897 3HG2 ILE 103 3HG2 ILE 103 -1.316 0.695 7.087 898 1HD1 ILE 103 1HD1 ILE 103 -1.547 4.269 3.951 899 2HD1 ILE 103 2HD1 ILE 103 0.071 5.009 4.006 900 3HD1 ILE 103 3HD1 ILE 103 -0.107 3.289 3.586 901 H GLU 104 H GLU 104 0.984 0.118 8.270 902 HA GLU 104 HA GLU 104 1.707 -2.195 6.706 903 1HB GLU 104 1HB GLU 104 2.811 -1.567 8.934 904 2HB GLU 104 2HB GLU 104 1.311 -2.018 9.721 905 1HG GLU 104 1HG GLU 104 1.534 -4.303 9.151 906 2HG GLU 104 2HG GLU 104 2.597 -3.970 7.798 907 H ILE 105 H ILE 105 0.114 -3.427 5.815 908 HA ILE 105 HA ILE 105 -2.395 -3.630 7.332 909 HB ILE 105 HB ILE 105 -3.646 -3.512 5.404 910 1HG1 ILE 105 1HG1 ILE 105 -2.409 -5.190 4.111 911 2HG1 ILE 105 2HG1 ILE 105 -2.833 -3.797 3.137 912 1HG2 ILE 105 1HG2 ILE 105 -2.925 -1.318 5.838 913 2HG2 ILE 105 2HG2 ILE 105 -1.304 -1.622 5.169 914 3HG2 ILE 105 3HG2 ILE 105 -2.713 -1.538 4.085 915 1HD1 ILE 105 1HD1 ILE 105 -0.389 -2.977 4.022 916 2HD1 ILE 105 2HD1 ILE 105 -0.144 -4.740 4.039 917 3HD1 ILE 105 3HD1 ILE 105 -0.616 -3.921 2.530 918 H GLU 106 H GLU 106 -3.634 -5.722 6.693 919 HA GLU 106 HA GLU 106 -1.983 -7.844 5.790 920 1HB GLU 106 1HB GLU 106 -2.540 -9.119 8.074 921 2HB GLU 106 2HB GLU 106 -1.082 -8.162 7.894 922 1HG GLU 106 1HG GLU 106 -1.867 -6.436 9.248 923 2HG GLU 106 2HG GLU 106 -3.542 -6.697 8.804 924 HA PRO 107 HA PRO 107 -6.175 -8.773 4.830 925 1HB PRO 107 1HB PRO 107 -5.667 -10.584 2.848 926 2HB PRO 107 2HB PRO 107 -5.758 -8.857 2.568 927 1HG PRO 107 1HG PRO 107 -3.368 -10.592 2.689 928 2HG PRO 107 2HG PRO 107 -3.525 -8.987 2.004 929 1HD PRO 107 1HD PRO 107 -2.314 -9.671 4.513 930 2HD PRO 107 2HD PRO 107 -2.576 -8.058 3.881 931 H LEU 108 H LEU 108 -7.314 -9.792 6.352 932 HA LEU 108 HA LEU 108 -6.271 -12.386 7.157 933 1HB LEU 108 1HB LEU 108 -8.100 -12.137 8.910 934 2HB LEU 108 2HB LEU 108 -6.693 -11.098 9.017 935 HG LEU 108 HG LEU 108 -8.996 -9.978 7.519 936 1HD1 LEU 108 1HD1 LEU 108 -9.137 -10.558 10.484 937 2HD1 LEU 108 2HD1 LEU 108 -10.118 -9.309 9.678 938 3HD1 LEU 108 3HD1 LEU 108 -10.294 -11.018 9.212 939 1HD2 LEU 108 1HD2 LEU 108 -8.017 -8.314 9.623 940 2HD2 LEU 108 2HD2 LEU 108 -6.628 -9.054 8.791 941 3HD2 LEU 108 3HD2 LEU 108 -7.831 -8.126 7.862 942 H GLU 109 H GLU 109 -6.778 -13.510 5.163 943 HA GLU 109 HA GLU 109 -9.625 -14.116 5.052 944 1HB GLU 109 1HB GLU 109 -9.175 -12.687 3.137 945 2HB GLU 109 2HB GLU 109 -7.747 -13.608 2.709 946 1HG GLU 109 1HG GLU 109 -9.131 -14.755 1.302 947 2HG GLU 109 2HG GLU 109 -9.663 -15.601 2.741 948 H TYR 110 H TYR 110 -7.347 -15.485 2.733 949 HA TYR 110 HA TYR 110 -7.142 -17.907 4.383 950 1HB TYR 110 1HB TYR 110 -7.864 -17.487 1.417 951 2HB TYR 110 2HB TYR 110 -7.461 -19.064 2.067 952 HD1 TYR 110 HD1 TYR 110 -10.129 -17.350 0.956 953 HD2 TYR 110 HD2 TYR 110 -8.877 -19.309 4.547 954 HE1 TYR 110 HE1 TYR 110 -12.558 -17.703 1.619 955 HE2 TYR 110 HE2 TYR 110 -11.310 -19.655 5.198 956 HH TYR 110 HH TYR 110 -13.431 -19.766 4.232 Start of MODEL 6 1 HA MET 1 HA MET 1 -15.940 1.449 10.807 2 1HB MET 1 1HB MET 1 -16.184 3.264 9.002 3 2HB MET 1 2HB MET 1 -15.941 3.881 10.624 4 1HG MET 1 1HG MET 1 -13.325 3.489 9.541 5 2HG MET 1 2HG MET 1 -14.264 4.236 8.263 6 1HE MET 1 1HE MET 1 -14.403 4.866 12.403 7 2HE MET 1 2HE MET 1 -12.910 4.234 11.669 8 3HE MET 1 3HE MET 1 -12.972 5.913 12.256 9 H GLU 2 H GLU 2 -16.462 0.053 9.125 10 HA GLU 2 HA GLU 2 -14.351 -1.193 7.813 11 1HB GLU 2 1HB GLU 2 -16.830 -1.969 8.403 12 2HB GLU 2 2HB GLU 2 -17.187 -1.378 6.793 13 1HG GLU 2 1HG GLU 2 -15.052 -2.811 6.101 14 2HG GLU 2 2HG GLU 2 -15.354 -3.644 7.614 15 H TRP 3 H TRP 3 -13.188 -0.492 6.078 16 HA TRP 3 HA TRP 3 -14.353 1.610 4.431 17 1HB TRP 3 1HB TRP 3 -11.533 0.531 4.409 18 2HB TRP 3 2HB TRP 3 -12.120 1.993 3.642 19 HD1 TRP 3 HD1 TRP 3 -11.248 0.628 7.148 20 HE1 TRP 3 HE1 TRP 3 -10.916 2.592 8.879 21 HE3 TRP 3 HE3 TRP 3 -12.812 4.336 4.039 22 HZ2 TRP 3 HZ2 TRP 3 -11.336 5.412 8.757 23 HZ3 TRP 3 HZ3 TRP 3 -12.820 6.667 4.924 24 HH2 TRP 3 HH2 TRP 3 -12.116 7.232 7.195 25 H GLU 4 H GLU 4 -14.266 1.398 2.048 26 HA GLU 4 HA GLU 4 -13.984 -1.341 1.146 27 1HB GLU 4 1HB GLU 4 -16.126 -0.987 -0.246 28 2HB GLU 4 2HB GLU 4 -16.335 -1.295 1.466 29 1HG GLU 4 1HG GLU 4 -16.004 1.555 1.103 30 2HG GLU 4 2HG GLU 4 -17.202 0.996 -0.047 31 H MET 5 H MET 5 -12.734 -1.407 -0.677 32 HA MET 5 HA MET 5 -12.751 0.990 -2.335 33 1HB MET 5 1HB MET 5 -10.306 -0.727 -1.631 34 2HB MET 5 2HB MET 5 -10.285 0.721 -2.618 35 1HG MET 5 1HG MET 5 -11.552 1.171 0.018 36 2HG MET 5 2HG MET 5 -9.894 0.619 0.158 37 1HE MET 5 1HE MET 5 -9.525 4.445 0.605 38 2HE MET 5 2HE MET 5 -10.403 3.093 1.360 39 3HE MET 5 3HE MET 5 -8.671 2.931 0.985 40 H GLY 6 H GLY 6 -11.158 0.232 -4.432 41 1HA GLY 6 1HA GLY 6 -11.952 -2.451 -5.278 42 2HA GLY 6 2HA GLY 6 -12.600 -1.101 -6.189 43 H LEU 7 H LEU 7 -10.540 -3.311 -6.821 44 HA LEU 7 HA LEU 7 -8.859 -1.689 -8.397 45 1HB LEU 7 1HB LEU 7 -6.714 -2.224 -7.387 46 2HB LEU 7 2HB LEU 7 -7.710 -1.232 -6.340 47 HG LEU 7 HG LEU 7 -7.441 -4.233 -6.031 48 1HD1 LEU 7 1HD1 LEU 7 -6.081 -2.413 -4.119 49 2HD1 LEU 7 2HD1 LEU 7 -5.615 -4.026 -4.710 50 3HD1 LEU 7 3HD1 LEU 7 -5.338 -2.591 -5.726 51 1HD2 LEU 7 1HD2 LEU 7 -9.429 -3.533 -4.982 52 2HD2 LEU 7 2HD2 LEU 7 -8.222 -3.652 -3.679 53 3HD2 LEU 7 3HD2 LEU 7 -8.670 -2.059 -4.334 54 H GLN 8 H GLN 8 -7.671 -2.964 -9.940 55 HA GLN 8 HA GLN 8 -8.909 -5.106 -10.886 56 1HB GLN 8 1HB GLN 8 -6.261 -3.911 -11.195 57 2HB GLN 8 2HB GLN 8 -6.179 -5.647 -11.420 58 1HG GLN 8 1HG GLN 8 -8.147 -5.462 -13.029 59 2HG GLN 8 2HG GLN 8 -8.040 -3.719 -12.885 60 1HE2 GLN 8 1HE2 GLN 8 -6.863 -6.521 -14.384 61 2HE2 GLN 8 2HE2 GLN 8 -5.570 -5.837 -15.312 62 H GLU 9 H GLU 9 -8.919 -7.371 -10.633 63 HA GLU 9 HA GLU 9 -8.535 -8.345 -8.122 64 1HB GLU 9 1HB GLU 9 -9.943 -9.457 -9.791 65 2HB GLU 9 2HB GLU 9 -8.551 -9.814 -10.793 66 1HG GLU 9 1HG GLU 9 -8.432 -10.779 -7.952 67 2HG GLU 9 2HG GLU 9 -9.580 -11.586 -9.002 68 H GLU 10 H GLU 10 -6.231 -8.002 -10.805 69 HA GLU 10 HA GLU 10 -4.337 -9.809 -9.928 70 1HB GLU 10 1HB GLU 10 -4.602 -8.158 -12.091 71 2HB GLU 10 2HB GLU 10 -3.364 -7.290 -11.206 72 1HG GLU 10 1HG GLU 10 -1.780 -8.935 -11.524 73 2HG GLU 10 2HG GLU 10 -2.940 -10.238 -11.353 74 H PHE 11 H PHE 11 -5.065 -6.443 -8.964 75 HA PHE 11 HA PHE 11 -2.671 -6.099 -7.483 76 1HB PHE 11 1HB PHE 11 -5.092 -4.682 -8.280 77 2HB PHE 11 2HB PHE 11 -4.928 -4.509 -6.544 78 HD1 PHE 11 HD1 PHE 11 -3.610 -3.555 -9.779 79 HD2 PHE 11 HD2 PHE 11 -2.912 -3.416 -5.596 80 HE1 PHE 11 HE1 PHE 11 -1.933 -1.719 -10.120 81 HE2 PHE 11 HE2 PHE 11 -1.235 -1.579 -5.937 82 HZ PHE 11 HZ PHE 11 -0.766 -0.752 -8.195 83 H LEU 12 H LEU 12 -6.008 -7.219 -6.751 84 HA LEU 12 HA LEU 12 -5.870 -7.118 -3.994 85 1HB LEU 12 1HB LEU 12 -7.416 -8.685 -6.004 86 2HB LEU 12 2HB LEU 12 -7.472 -9.208 -4.333 87 HG LEU 12 HG LEU 12 -8.076 -6.711 -3.831 88 1HD1 LEU 12 1HD1 LEU 12 -7.592 -6.180 -6.341 89 2HD1 LEU 12 2HD1 LEU 12 -9.247 -6.784 -6.594 90 3HD1 LEU 12 3HD1 LEU 12 -8.960 -5.400 -5.511 91 1HD2 LEU 12 1HD2 LEU 12 -10.360 -7.263 -3.817 92 2HD2 LEU 12 2HD2 LEU 12 -10.194 -8.365 -5.205 93 3HD2 LEU 12 3HD2 LEU 12 -9.506 -8.813 -3.626 94 H GLU 13 H GLU 13 -4.677 -9.591 -6.320 95 HA GLU 13 HA GLU 13 -4.003 -11.452 -4.364 96 1HB GLU 13 1HB GLU 13 -4.184 -11.623 -7.002 97 2HB GLU 13 2HB GLU 13 -2.482 -11.208 -6.967 98 1HG GLU 13 1HG GLU 13 -2.087 -13.424 -6.635 99 2HG GLU 13 2HG GLU 13 -2.645 -13.171 -4.993 100 H LEU 14 H LEU 14 -2.396 -8.547 -5.629 101 HA LEU 14 HA LEU 14 0.187 -9.183 -4.683 102 1HB LEU 14 1HB LEU 14 -1.188 -6.647 -5.535 103 2HB LEU 14 2HB LEU 14 0.450 -6.638 -4.911 104 HG LEU 14 HG LEU 14 -0.576 -7.955 -7.429 105 1HD1 LEU 14 1HD1 LEU 14 1.770 -6.087 -7.191 106 2HD1 LEU 14 2HD1 LEU 14 0.745 -6.448 -8.601 107 3HD1 LEU 14 3HD1 LEU 14 0.105 -5.462 -7.265 108 1HD2 LEU 14 1HD2 LEU 14 1.898 -8.551 -5.856 109 2HD2 LEU 14 2HD2 LEU 14 0.841 -9.637 -6.790 110 3HD2 LEU 14 3HD2 LEU 14 1.980 -8.560 -7.634 111 H ILE 15 H ILE 15 -2.625 -7.374 -3.323 112 HA ILE 15 HA ILE 15 -1.368 -6.451 -1.037 113 HB ILE 15 HB ILE 15 -4.158 -6.979 -1.902 114 1HG1 ILE 15 1HG1 ILE 15 -4.299 -4.540 -1.084 115 2HG1 ILE 15 2HG1 ILE 15 -2.552 -4.604 -0.955 116 1HG2 ILE 15 1HG2 ILE 15 -5.050 -6.312 0.299 117 2HG2 ILE 15 2HG2 ILE 15 -4.220 -7.886 0.345 118 3HG2 ILE 15 3HG2 ILE 15 -3.412 -6.434 0.984 119 1HD1 ILE 15 1HD1 ILE 15 -3.096 -3.731 -3.152 120 2HD1 ILE 15 2HD1 ILE 15 -2.467 -5.381 -3.376 121 3HD1 ILE 15 3HD1 ILE 15 -4.218 -5.077 -3.465 122 H LYS 16 H LYS 16 -3.020 -9.591 -1.710 123 HA LYS 16 HA LYS 16 -2.892 -10.619 0.848 124 1HB LYS 16 1HB LYS 16 -3.928 -11.463 -1.472 125 2HB LYS 16 2HB LYS 16 -2.475 -12.443 -1.479 126 1HG LYS 16 1HG LYS 16 -3.562 -13.882 -0.098 127 2HG LYS 16 2HG LYS 16 -3.384 -12.680 1.165 128 1HD LYS 16 1HD LYS 16 -5.765 -13.433 0.851 129 2HD LYS 16 2HD LYS 16 -5.561 -11.703 0.653 130 1HE LYS 16 1HE LYS 16 -6.102 -11.759 -1.581 131 2HE LYS 16 2HE LYS 16 -5.209 -13.240 -1.867 132 1HZ LYS 16 1HZ LYS 16 -7.591 -13.529 -2.081 133 2HZ LYS 16 2HZ LYS 16 -6.997 -14.469 -0.885 134 3HZ LYS 16 3HZ LYS 16 -7.818 -13.105 -0.520 135 H LEU 17 H LEU 17 -0.376 -10.193 -1.622 136 HA LEU 17 HA LEU 17 1.473 -11.859 -0.153 137 1HB LEU 17 1HB LEU 17 1.511 -10.362 -2.746 138 2HB LEU 17 2HB LEU 17 3.022 -10.851 -2.006 139 HG LEU 17 HG LEU 17 0.964 -12.976 -2.248 140 1HD1 LEU 17 1HD1 LEU 17 0.683 -13.001 -4.456 141 2HD1 LEU 17 2HD1 LEU 17 1.318 -11.338 -4.460 142 3HD1 LEU 17 3HD1 LEU 17 2.412 -12.709 -4.762 143 1HD2 LEU 17 1HD2 LEU 17 3.954 -12.759 -2.593 144 2HD2 LEU 17 2HD2 LEU 17 3.030 -13.663 -1.369 145 3HD2 LEU 17 3HD2 LEU 17 3.045 -14.215 -3.061 146 H ARG 18 H ARG 18 0.361 -8.566 -0.211 147 HA ARG 18 HA ARG 18 2.776 -7.424 0.669 148 1HB ARG 18 1HB ARG 18 -0.129 -6.492 0.691 149 2HB ARG 18 2HB ARG 18 1.153 -5.497 1.351 150 1HG ARG 18 1HG ARG 18 2.292 -5.387 -0.796 151 2HG ARG 18 2HG ARG 18 1.258 -6.625 -1.481 152 1HD ARG 18 1HD ARG 18 -0.350 -5.105 -2.028 153 2HD ARG 18 2HD ARG 18 -0.357 -4.426 -0.413 154 HE ARG 18 HE ARG 18 1.223 -2.791 -1.086 155 1HH1 ARG 18 2HH2 ARG 18 0.721 -5.166 -3.633 156 2HH1 ARG 18 1HH2 ARG 18 1.530 -4.228 -4.843 157 1HH2 ARG 18 2HH1 ARG 18 2.291 -1.553 -2.682 158 2HH2 ARG 18 1HH1 ARG 18 2.430 -2.159 -4.299 159 H LYS 19 H LYS 19 0.861 -9.686 2.133 160 HA LYS 19 HA LYS 19 0.532 -8.542 4.716 161 1HB LYS 19 1HB LYS 19 -0.551 -10.481 5.240 162 2HB LYS 19 2HB LYS 19 -0.711 -10.525 3.496 163 1HG LYS 19 1HG LYS 19 1.358 -11.957 3.365 164 2HG LYS 19 2HG LYS 19 1.455 -11.949 5.115 165 1HD LYS 19 1HD LYS 19 -1.231 -12.715 4.185 166 2HD LYS 19 2HD LYS 19 0.003 -13.769 3.523 167 1HE LYS 19 1HE LYS 19 -0.048 -14.876 5.510 168 2HE LYS 19 2HE LYS 19 0.801 -13.503 6.191 169 1HZ LYS 19 1HZ LYS 19 -2.094 -13.955 6.153 170 2HZ LYS 19 2HZ LYS 19 -1.119 -13.810 7.455 171 3HZ LYS 19 3HZ LYS 19 -1.443 -12.505 6.528 172 H LYS 20 H LYS 20 3.100 -10.252 2.975 173 HA LYS 20 HA LYS 20 4.616 -10.416 5.478 174 1HB LYS 20 1HB LYS 20 4.565 -12.020 2.964 175 2HB LYS 20 2HB LYS 20 6.117 -11.819 3.750 176 1HG LYS 20 1HG LYS 20 3.876 -12.471 5.603 177 2HG LYS 20 2HG LYS 20 4.245 -13.730 4.442 178 1HD LYS 20 1HD LYS 20 6.355 -14.135 5.326 179 2HD LYS 20 2HD LYS 20 6.600 -12.466 5.800 180 1HE LYS 20 1HE LYS 20 4.495 -14.136 7.210 181 2HE LYS 20 2HE LYS 20 6.181 -14.305 7.657 182 1HZ LYS 20 1HZ LYS 20 5.323 -12.643 9.008 183 2HZ LYS 20 2HZ LYS 20 6.160 -11.818 7.874 184 3HZ LYS 20 3HZ LYS 20 4.531 -11.891 7.794 185 H LYS 21 H LYS 21 4.006 -8.274 3.041 186 HA LYS 21 HA LYS 21 6.791 -7.334 3.056 187 1HB LYS 21 1HB LYS 21 4.717 -7.242 0.856 188 2HB LYS 21 2HB LYS 21 6.135 -6.214 0.857 189 1HG LYS 21 1HG LYS 21 6.996 -8.022 -0.317 190 2HG LYS 21 2HG LYS 21 7.416 -8.524 1.308 191 1HD LYS 21 1HD LYS 21 5.202 -9.793 1.405 192 2HD LYS 21 2HD LYS 21 4.967 -9.407 -0.288 193 1HE LYS 21 1HE LYS 21 7.323 -10.469 -0.671 194 2HE LYS 21 2HE LYS 21 7.159 -11.121 0.947 195 1HZ LYS 21 1HZ LYS 21 4.935 -11.489 -0.871 196 2HZ LYS 21 2HZ LYS 21 6.273 -12.389 -1.127 197 3HZ LYS 21 3HZ LYS 21 5.492 -12.478 0.304 198 H ILE 22 H ILE 22 4.598 -5.196 1.554 199 HA ILE 22 HA ILE 22 3.512 -3.974 3.857 200 HB ILE 22 HB ILE 22 6.231 -3.366 3.316 201 1HG1 ILE 22 1HG1 ILE 22 5.177 -3.567 5.526 202 2HG1 ILE 22 2HG1 ILE 22 6.044 -2.056 5.344 203 1HG2 ILE 22 1HG2 ILE 22 6.275 -1.052 2.862 204 2HG2 ILE 22 2HG2 ILE 22 5.193 -1.763 1.639 205 3HG2 ILE 22 3HG2 ILE 22 4.510 -0.899 3.037 206 1HD1 ILE 22 1HD1 ILE 22 3.970 -0.828 4.941 207 2HD1 ILE 22 2HD1 ILE 22 3.039 -2.345 4.896 208 3HD1 ILE 22 3HD1 ILE 22 3.776 -1.798 6.421 209 H GLU 23 H GLU 23 2.735 -1.601 3.140 210 HA GLU 23 HA GLU 23 2.211 -1.589 0.302 211 1HB GLU 23 1HB GLU 23 0.331 -2.876 1.360 212 2HB GLU 23 2HB GLU 23 -0.036 -1.488 2.364 213 1HG GLU 23 1HG GLU 23 -0.620 -0.130 0.439 214 2HG GLU 23 2HG GLU 23 0.039 -1.309 -0.678 215 H GLY 24 H GLY 24 3.260 0.354 -0.072 216 1HA GLY 24 1HA GLY 24 2.923 2.566 1.777 217 2HA GLY 24 2HA GLY 24 3.933 2.505 0.346 218 H ARG 25 H ARG 25 2.738 4.811 0.397 219 HA ARG 25 HA ARG 25 1.379 5.125 -1.820 220 1HB ARG 25 1HB ARG 25 -0.438 3.965 0.224 221 2HB ARG 25 2HB ARG 25 -1.067 5.434 -0.497 222 1HG ARG 25 1HG ARG 25 0.125 3.459 -2.408 223 2HG ARG 25 2HG ARG 25 -1.354 2.950 -1.616 224 1HD ARG 25 1HD ARG 25 -1.042 5.618 -3.076 225 2HD ARG 25 2HD ARG 25 -1.719 4.178 -3.811 226 HE ARG 25 HE ARG 25 -3.059 5.946 -1.946 227 1HH1 ARG 25 2HH2 ARG 25 -2.858 2.579 -2.949 228 2HH1 ARG 25 1HH2 ARG 25 -4.466 2.196 -2.431 229 1HH2 ARG 25 2HH1 ARG 25 -5.180 5.441 -1.263 230 2HH2 ARG 25 1HH1 ARG 25 -5.796 3.835 -1.465 231 H LEU 26 H LEU 26 1.581 7.329 -2.091 232 HA LEU 26 HA LEU 26 2.426 9.073 -0.254 233 1HB LEU 26 1HB LEU 26 2.466 10.169 -2.171 234 2HB LEU 26 2HB LEU 26 1.175 9.199 -2.850 235 HG LEU 26 HG LEU 26 -0.461 10.680 -1.595 236 1HD1 LEU 26 1HD1 LEU 26 1.977 11.738 -0.529 237 2HD1 LEU 26 2HD1 LEU 26 1.128 13.020 -1.426 238 3HD1 LEU 26 3HD1 LEU 26 0.295 12.148 -0.117 239 1HD2 LEU 26 1HD2 LEU 26 0.127 12.692 -3.240 240 2HD2 LEU 26 2HD2 LEU 26 1.219 11.464 -3.926 241 3HD2 LEU 26 3HD2 LEU 26 -0.529 11.141 -3.819 242 H TYR 27 H TYR 27 1.670 10.219 1.484 243 HA TYR 27 HA TYR 27 -0.684 9.374 2.724 244 1HB TYR 27 1HB TYR 27 1.523 10.553 3.567 245 2HB TYR 27 2HB TYR 27 0.800 12.052 3.017 246 HD1 TYR 27 HD1 TYR 27 -0.755 9.146 4.804 247 HD2 TYR 27 HD2 TYR 27 0.317 13.285 4.939 248 HE1 TYR 27 HE1 TYR 27 -1.953 9.390 7.033 249 HE2 TYR 27 HE2 TYR 27 -0.884 13.516 7.168 250 HH TYR 27 HH TYR 27 -2.761 12.341 8.329 251 H ASP 28 H ASP 28 -2.641 9.629 1.684 252 HA ASP 28 HA ASP 28 -3.162 12.244 0.551 253 1HB ASP 28 1HB ASP 28 -4.999 9.825 0.428 254 2HB ASP 28 2HB ASP 28 -4.966 11.203 -0.654 255 H GLU 29 H GLU 29 -6.012 12.251 0.760 256 HA GLU 29 HA GLU 29 -6.282 12.987 3.480 257 1HB GLU 29 1HB GLU 29 -8.232 12.924 1.142 258 2HB GLU 29 2HB GLU 29 -8.685 13.490 2.737 259 1HG GLU 29 1HG GLU 29 -7.765 15.516 2.311 260 2HG GLU 29 2HG GLU 29 -6.201 14.774 2.041 261 H LYS 30 H LYS 30 -7.464 10.324 1.363 262 HA LYS 30 HA LYS 30 -9.187 9.212 3.298 263 1HB LYS 30 1HB LYS 30 -8.502 8.770 0.583 264 2HB LYS 30 2HB LYS 30 -8.199 7.260 1.419 265 1HG LYS 30 1HG LYS 30 -10.457 7.147 2.260 266 2HG LYS 30 2HG LYS 30 -10.777 8.821 1.852 267 1HD LYS 30 1HD LYS 30 -9.941 7.111 -0.447 268 2HD LYS 30 2HD LYS 30 -11.479 6.674 0.271 269 1HE LYS 30 1HE LYS 30 -10.871 9.574 -0.404 270 2HE LYS 30 2HE LYS 30 -11.436 8.476 -1.647 271 1HZ LYS 30 1HZ LYS 30 -13.277 9.549 -0.635 272 2HZ LYS 30 2HZ LYS 30 -13.328 7.975 -0.202 273 3HZ LYS 30 3HZ LYS 30 -12.820 9.100 0.867 274 H ARG 31 H ARG 31 -5.733 8.708 2.415 275 HA ARG 31 HA ARG 31 -5.308 6.476 3.924 276 1HB ARG 31 1HB ARG 31 -3.462 8.817 3.255 277 2HB ARG 31 2HB ARG 31 -2.882 7.357 4.030 278 1HG ARG 31 1HG ARG 31 -4.386 7.364 1.373 279 2HG ARG 31 2HG ARG 31 -2.638 7.394 1.492 280 1HD ARG 31 1HD ARG 31 -2.620 5.135 1.704 281 2HD ARG 31 2HD ARG 31 -3.516 5.273 3.203 282 HE ARG 31 HE ARG 31 -5.208 5.517 0.822 283 1HH1 ARG 31 2HH2 ARG 31 -3.745 3.272 3.102 284 2HH1 ARG 31 1HH2 ARG 31 -4.901 2.016 2.804 285 1HH2 ARG 31 2HH1 ARG 31 -6.733 3.862 0.429 286 2HH2 ARG 31 1HH1 ARG 31 -6.612 2.354 1.273 287 H ARG 32 H ARG 32 -4.905 9.977 4.821 288 HA ARG 32 HA ARG 32 -4.081 9.463 7.410 289 1HB ARG 32 1HB ARG 32 -4.733 11.878 7.815 290 2HB ARG 32 2HB ARG 32 -3.729 11.655 6.396 291 1HG ARG 32 1HG ARG 32 -5.692 11.760 4.918 292 2HG ARG 32 2HG ARG 32 -6.778 11.788 6.293 293 1HD ARG 32 1HD ARG 32 -6.597 14.075 5.604 294 2HD ARG 32 2HD ARG 32 -5.592 13.956 7.036 295 HE ARG 32 HE ARG 32 -4.061 13.412 4.626 296 1HH1 ARG 32 2HH2 ARG 32 -5.401 16.012 6.583 297 2HH1 ARG 32 1HH2 ARG 32 -4.241 17.183 6.051 298 1HH2 ARG 32 2HH1 ARG 32 -2.530 14.957 3.924 299 2HH2 ARG 32 1HH1 ARG 32 -2.597 16.578 4.529 300 H GLN 33 H GLN 33 -7.207 9.290 5.859 301 HA GLN 33 HA GLN 33 -8.733 9.809 8.180 302 1HB GLN 33 1HB GLN 33 -9.212 9.420 5.393 303 2HB GLN 33 2HB GLN 33 -10.150 8.196 6.224 304 1HG GLN 33 1HG GLN 33 -10.803 10.248 7.823 305 2HG GLN 33 2HG GLN 33 -10.351 11.203 6.425 306 1HE2 GLN 33 1HE2 GLN 33 -12.679 9.180 7.874 307 2HE2 GLN 33 2HE2 GLN 33 -13.848 9.129 6.597 308 H ILE 34 H ILE 34 -7.346 6.922 6.579 309 HA ILE 34 HA ILE 34 -8.768 5.086 8.237 310 HB ILE 34 HB ILE 34 -6.442 4.813 6.338 311 1HG1 ILE 34 1HG1 ILE 34 -9.266 3.778 6.033 312 2HG1 ILE 34 2HG1 ILE 34 -8.798 5.381 5.503 313 1HG2 ILE 34 1HG2 ILE 34 -7.868 2.685 7.950 314 2HG2 ILE 34 2HG2 ILE 34 -6.867 2.348 6.517 315 3HG2 ILE 34 3HG2 ILE 34 -6.135 3.091 7.960 316 1HD1 ILE 34 1HD1 ILE 34 -8.621 3.202 3.901 317 2HD1 ILE 34 2HD1 ILE 34 -7.518 4.591 3.751 318 3HD1 ILE 34 3HD1 ILE 34 -7.005 3.139 4.644 319 H LYS 35 H LYS 35 -7.640 3.551 9.745 320 HA LYS 35 HA LYS 35 -5.208 4.607 10.912 321 1HB LYS 35 1HB LYS 35 -6.030 5.141 12.995 322 2HB LYS 35 2HB LYS 35 -7.318 5.724 11.959 323 1HG LYS 35 1HG LYS 35 -8.641 3.693 12.355 324 2HG LYS 35 2HG LYS 35 -7.317 2.947 13.228 325 1HD LYS 35 1HD LYS 35 -8.548 3.754 15.027 326 2HD LYS 35 2HD LYS 35 -7.500 5.133 14.758 327 1HE LYS 35 1HE LYS 35 -9.358 6.407 14.481 328 2HE LYS 35 2HE LYS 35 -9.661 5.551 12.983 329 1HZ LYS 35 1HZ LYS 35 -11.493 4.887 14.007 330 2HZ LYS 35 2HZ LYS 35 -10.557 3.841 14.841 331 3HZ LYS 35 3HZ LYS 35 -10.959 5.280 15.500 332 HA PRO 36 HA PRO 36 -4.550 0.411 11.680 333 1HB PRO 36 1HB PRO 36 -3.049 0.378 13.963 334 2HB PRO 36 2HB PRO 36 -2.387 0.762 12.387 335 1HG PRO 36 1HG PRO 36 -3.014 2.585 14.628 336 2HG PRO 36 2HG PRO 36 -1.982 2.867 13.240 337 1HD PRO 36 1HD PRO 36 -4.639 3.873 13.635 338 2HD PRO 36 2HD PRO 36 -3.651 4.057 12.199 339 H GLY 37 H GLY 37 -6.400 -0.727 11.906 340 1HA GLY 37 1HA GLY 37 -7.040 -2.101 14.067 341 2HA GLY 37 2HA GLY 37 -7.728 -0.549 14.501 342 H ASP 38 H ASP 38 -8.417 0.277 11.745 343 HA ASP 38 HA ASP 38 -10.911 -1.027 11.633 344 1HB ASP 38 1HB ASP 38 -9.572 0.883 9.658 345 2HB ASP 38 2HB ASP 38 -11.266 0.436 9.621 346 H VAL 39 H VAL 39 -11.601 -1.516 9.047 347 HA VAL 39 HA VAL 39 -9.465 -3.085 7.826 348 HB VAL 39 HB VAL 39 -12.232 -4.169 8.373 349 1HG1 VAL 39 1HG1 VAL 39 -11.533 -6.177 7.401 350 2HG1 VAL 39 2HG1 VAL 39 -10.831 -4.939 6.331 351 3HG1 VAL 39 3HG1 VAL 39 -9.808 -5.758 7.536 352 1HG2 VAL 39 1HG2 VAL 39 -9.653 -4.439 9.902 353 2HG2 VAL 39 2HG2 VAL 39 -11.308 -4.179 10.505 354 3HG2 VAL 39 3HG2 VAL 39 -10.828 -5.776 9.881 355 H ILE 40 H ILE 40 -9.788 -3.447 5.534 356 HA ILE 40 HA ILE 40 -11.864 -1.689 4.421 357 HB ILE 40 HB ILE 40 -9.144 -2.186 3.221 358 1HG1 ILE 40 1HG1 ILE 40 -9.535 0.486 4.287 359 2HG1 ILE 40 2HG1 ILE 40 -9.667 -0.714 5.557 360 1HG2 ILE 40 1HG2 ILE 40 -11.472 -0.395 2.568 361 2HG2 ILE 40 2HG2 ILE 40 -9.818 0.027 2.064 362 3HG2 ILE 40 3HG2 ILE 40 -10.556 -1.495 1.510 363 1HD1 ILE 40 1HD1 ILE 40 -7.286 0.251 4.303 364 2HD1 ILE 40 2HD1 ILE 40 -7.425 -1.006 5.555 365 3HD1 ILE 40 3HD1 ILE 40 -7.465 -1.456 3.833 366 H SER 41 H SER 41 -12.791 -2.372 2.375 367 HA SER 41 HA SER 41 -12.345 -5.215 1.898 368 1HB SER 41 1HB SER 41 -15.026 -3.811 1.574 369 2HB SER 41 2HB SER 41 -14.715 -5.534 1.517 370 HG SER 41 HG SER 41 -14.066 -4.033 3.882 371 H PHE 42 H PHE 42 -11.779 -5.687 -0.204 372 HA PHE 42 HA PHE 42 -11.998 -3.504 -2.124 373 1HB PHE 42 1HB PHE 42 -10.540 -6.216 -2.133 374 2HB PHE 42 2HB PHE 42 -10.340 -4.982 -3.361 375 HD1 PHE 42 HD1 PHE 42 -9.789 -2.549 -2.196 376 HD2 PHE 42 HD2 PHE 42 -8.805 -6.373 -0.639 377 HE1 PHE 42 HE1 PHE 42 -7.922 -1.527 -0.866 378 HE2 PHE 42 HE2 PHE 42 -6.938 -5.350 0.691 379 HZ PHE 42 HZ PHE 42 -6.519 -2.940 0.562 380 H GLU 43 H GLU 43 -12.796 -3.887 -4.301 381 HA GLU 43 HA GLU 43 -14.528 -4.476 -5.528 382 1HB GLU 43 1HB GLU 43 -13.293 -7.237 -5.128 383 2HB GLU 43 2HB GLU 43 -14.308 -6.759 -6.474 384 1HG GLU 43 1HG GLU 43 -12.473 -4.798 -6.699 385 2HG GLU 43 2HG GLU 43 -11.466 -5.961 -5.859 386 H GLY 44 H GLY 44 -15.374 -4.225 -2.838 387 1HA GLY 44 1HA GLY 44 -17.478 -4.596 -1.942 388 2HA GLY 44 2HA GLY 44 -17.626 -6.087 -2.851 389 H GLY 45 H GLY 45 -15.725 -7.775 -2.242 390 1HA GLY 45 1HA GLY 45 -14.812 -7.686 0.468 391 2HA GLY 45 2HA GLY 45 -16.212 -8.725 0.285 392 H LYS 46 H LYS 46 -13.908 -8.194 -2.388 393 HA LYS 46 HA LYS 46 -13.438 -11.006 -2.539 394 1HB LYS 46 1HB LYS 46 -13.587 -9.061 -4.388 395 2HB LYS 46 2HB LYS 46 -11.850 -9.075 -4.162 396 1HG LYS 46 1HG LYS 46 -13.075 -11.782 -4.372 397 2HG LYS 46 2HG LYS 46 -13.238 -10.805 -5.818 398 1HD LYS 46 1HD LYS 46 -10.605 -10.317 -5.203 399 2HD LYS 46 2HD LYS 46 -10.774 -11.938 -4.559 400 1HE LYS 46 1HE LYS 46 -11.574 -11.131 -7.397 401 2HE LYS 46 2HE LYS 46 -10.043 -11.876 -6.982 402 1HZ LYS 46 1HZ LYS 46 -11.502 -13.571 -7.630 403 2HZ LYS 46 2HZ LYS 46 -11.379 -13.709 -6.007 404 3HZ LYS 46 3HZ LYS 46 -12.715 -13.044 -6.671 405 H LEU 47 H LEU 47 -11.794 -8.149 -1.218 406 HA LEU 47 HA LEU 47 -9.920 -9.912 0.082 407 1HB LEU 47 1HB LEU 47 -8.739 -9.575 -1.959 408 2HB LEU 47 2HB LEU 47 -9.047 -7.850 -1.937 409 HG LEU 47 HG LEU 47 -7.654 -7.730 0.182 410 1HD1 LEU 47 1HD1 LEU 47 -7.581 -10.614 -0.287 411 2HD1 LEU 47 2HD1 LEU 47 -5.963 -9.899 -0.087 412 3HD1 LEU 47 3HD1 LEU 47 -7.197 -9.674 1.175 413 1HD2 LEU 47 1HD2 LEU 47 -6.444 -6.843 -1.501 414 2HD2 LEU 47 2HD2 LEU 47 -5.477 -8.324 -1.299 415 3HD2 LEU 47 3HD2 LEU 47 -6.710 -8.234 -2.579 416 H LYS 48 H LYS 48 -9.482 -9.182 2.123 417 HA LYS 48 HA LYS 48 -10.170 -6.380 2.662 418 1HB LYS 48 1HB LYS 48 -10.856 -8.750 4.426 419 2HB LYS 48 2HB LYS 48 -11.180 -7.065 4.781 420 1HG LYS 48 1HG LYS 48 -13.223 -7.575 3.841 421 2HG LYS 48 2HG LYS 48 -12.379 -7.180 2.357 422 1HD LYS 48 1HD LYS 48 -12.262 -9.386 1.662 423 2HD LYS 48 2HD LYS 48 -12.074 -10.006 3.290 424 1HE LYS 48 1HE LYS 48 -14.612 -9.113 3.532 425 2HE LYS 48 2HE LYS 48 -14.602 -9.333 1.793 426 1HZ LYS 48 1HZ LYS 48 -14.825 -11.479 2.132 427 2HZ LYS 48 2HZ LYS 48 -13.410 -11.553 2.945 428 3HZ LYS 48 3HZ LYS 48 -14.802 -11.279 3.753 429 H VAL 49 H VAL 49 -8.937 -5.369 4.361 430 HA VAL 49 HA VAL 49 -6.665 -6.924 5.323 431 HB VAL 49 HB VAL 49 -5.167 -5.013 4.736 432 1HG1 VAL 49 1HG1 VAL 49 -4.741 -6.762 3.328 433 2HG1 VAL 49 2HG1 VAL 49 -6.427 -6.868 2.766 434 3HG1 VAL 49 3HG1 VAL 49 -5.355 -5.596 2.131 435 1HG2 VAL 49 1HG2 VAL 49 -5.881 -3.487 2.922 436 2HG2 VAL 49 2HG2 VAL 49 -7.529 -4.151 3.032 437 3HG2 VAL 49 3HG2 VAL 49 -6.832 -3.266 4.410 438 H ARG 50 H ARG 50 -5.549 -5.795 7.160 439 HA ARG 50 HA ARG 50 -7.374 -3.915 8.423 440 1HB ARG 50 1HB ARG 50 -7.690 -6.065 9.543 441 2HB ARG 50 2HB ARG 50 -5.961 -6.318 9.674 442 1HG ARG 50 1HG ARG 50 -6.106 -3.950 10.983 443 2HG ARG 50 2HG ARG 50 -7.744 -4.500 11.277 444 1HD ARG 50 1HD ARG 50 -5.389 -6.356 11.781 445 2HD ARG 50 2HD ARG 50 -5.856 -5.170 12.983 446 HE ARG 50 HE ARG 50 -7.944 -6.308 13.301 447 1HH1 ARG 50 2HH2 ARG 50 -5.942 -7.849 10.851 448 2HH1 ARG 50 1HH2 ARG 50 -6.847 -9.325 10.857 449 1HH2 ARG 50 2HH1 ARG 50 -9.138 -8.256 13.309 450 2HH2 ARG 50 1HH1 ARG 50 -8.678 -9.559 12.264 451 H VAL 51 H VAL 51 -6.311 -1.992 8.773 452 HA VAL 51 HA VAL 51 -3.611 -1.637 8.333 453 HB VAL 51 HB VAL 51 -5.534 -0.012 10.010 454 1HG1 VAL 51 1HG1 VAL 51 -3.201 1.191 8.565 455 2HG1 VAL 51 2HG1 VAL 51 -4.040 1.735 10.038 456 3HG1 VAL 51 3HG1 VAL 51 -2.910 0.362 10.113 457 1HG2 VAL 51 1HG2 VAL 51 -5.593 -0.601 7.260 458 2HG2 VAL 51 2HG2 VAL 51 -6.508 0.662 8.118 459 3HG2 VAL 51 3HG2 VAL 51 -4.935 1.048 7.380 460 H LYS 52 H LYS 52 -1.767 -1.808 9.559 461 HA LYS 52 HA LYS 52 -2.169 -2.895 12.247 462 1HB LYS 52 1HB LYS 52 -0.172 -3.320 10.087 463 2HB LYS 52 2HB LYS 52 0.451 -3.326 11.725 464 1HG LYS 52 1HG LYS 52 -2.026 -4.932 10.994 465 2HG LYS 52 2HG LYS 52 -0.422 -5.579 10.715 466 1HD LYS 52 1HD LYS 52 -0.539 -6.325 12.868 467 2HD LYS 52 2HD LYS 52 -0.181 -4.670 13.318 468 1HE LYS 52 1HE LYS 52 -2.216 -4.468 14.296 469 2HE LYS 52 2HE LYS 52 -3.007 -4.819 12.773 470 1HZ LYS 52 1HZ LYS 52 -3.249 -6.377 14.826 471 2HZ LYS 52 2HZ LYS 52 -3.230 -6.985 13.310 472 3HZ LYS 52 3HZ LYS 52 -1.885 -7.052 14.235 473 H ALA 53 H ALA 53 -0.378 -0.406 10.345 474 HA ALA 53 HA ALA 53 -0.509 1.436 12.467 475 1HB ALA 53 1HB ALA 53 1.181 0.118 13.555 476 2HB ALA 53 2HB ALA 53 2.119 -0.035 12.050 477 3HB ALA 53 3HB ALA 53 1.997 1.542 12.868 478 H ILE 54 H ILE 54 0.510 3.519 11.840 479 HA ILE 54 HA ILE 54 0.850 3.614 8.925 480 HB ILE 54 HB ILE 54 -1.069 4.819 10.361 481 1HG1 ILE 54 1HG1 ILE 54 -0.808 6.640 8.381 482 2HG1 ILE 54 2HG1 ILE 54 0.269 5.400 7.770 483 1HG2 ILE 54 1HG2 ILE 54 0.829 6.116 11.549 484 2HG2 ILE 54 2HG2 ILE 54 0.904 7.068 10.047 485 3HG2 ILE 54 3HG2 ILE 54 -0.606 7.007 10.988 486 1HD1 ILE 54 1HD1 ILE 54 -2.535 4.748 8.763 487 2HD1 ILE 54 2HD1 ILE 54 -2.199 5.204 7.076 488 3HD1 ILE 54 3HD1 ILE 54 -1.464 3.736 7.764 489 H ARG 55 H ARG 55 2.520 4.973 8.050 490 HA ARG 55 HA ARG 55 4.407 5.951 10.002 491 1HB ARG 55 1HB ARG 55 5.091 4.000 7.748 492 2HB ARG 55 2HB ARG 55 6.304 4.914 8.622 493 1HG ARG 55 1HG ARG 55 4.361 3.449 10.350 494 2HG ARG 55 2HG ARG 55 5.392 2.423 9.374 495 1HD ARG 55 1HD ARG 55 6.565 4.710 11.003 496 2HD ARG 55 2HD ARG 55 6.250 3.151 11.740 497 HE ARG 55 HE ARG 55 7.660 2.494 9.443 498 1HH1 ARG 55 2HH2 ARG 55 8.263 4.659 12.151 499 2HH1 ARG 55 1HH2 ARG 55 9.985 4.501 12.060 500 1HH2 ARG 55 2HH1 ARG 55 9.932 2.285 9.322 501 2HH2 ARG 55 1HH1 ARG 55 10.941 3.141 10.440 502 H VAL 56 H VAL 56 5.988 7.518 9.018 503 HA VAL 56 HA VAL 56 5.131 8.470 6.382 504 HB VAL 56 HB VAL 56 5.806 10.348 8.630 505 1HG1 VAL 56 1HG1 VAL 56 5.829 11.574 6.683 506 2HG1 VAL 56 2HG1 VAL 56 4.614 10.544 5.887 507 3HG1 VAL 56 3HG1 VAL 56 4.111 11.719 7.126 508 1HG2 VAL 56 1HG2 VAL 56 3.112 10.557 8.537 509 2HG2 VAL 56 2HG2 VAL 56 3.293 8.813 8.230 510 3HG2 VAL 56 3HG2 VAL 56 3.980 9.533 9.706 511 H TYR 57 H TYR 57 6.803 9.232 5.063 512 HA TYR 57 HA TYR 57 9.479 9.196 6.271 513 1HB TYR 57 1HB TYR 57 8.308 7.868 3.762 514 2HB TYR 57 2HB TYR 57 10.031 8.165 3.881 515 HD1 TYR 57 HD1 TYR 57 7.251 6.550 5.816 516 HD2 TYR 57 HD2 TYR 57 11.399 6.504 4.770 517 HE1 TYR 57 HE1 TYR 57 7.549 4.358 7.068 518 HE2 TYR 57 HE2 TYR 57 11.683 4.311 6.026 519 HH TYR 57 HH TYR 57 8.999 2.485 7.093 520 H ASN 58 H ASN 58 11.101 10.035 4.391 521 HA ASN 58 HA ASN 58 10.225 12.673 3.931 522 1HB ASN 58 1HB ASN 58 12.703 11.306 4.068 523 2HB ASN 58 2HB ASN 58 12.614 11.848 2.404 524 1HD2 ASN 58 1HD2 ASN 58 13.971 12.643 5.111 525 2HD2 ASN 58 2HD2 ASN 58 13.883 14.373 5.123 526 H SER 59 H SER 59 10.964 9.747 1.919 527 HA SER 59 HA SER 59 9.165 10.719 -0.079 528 1HB SER 59 1HB SER 59 12.135 10.672 -0.468 529 2HB SER 59 2HB SER 59 11.171 10.054 -1.794 530 HG SER 59 HG SER 59 11.590 12.368 -1.951 531 H PHE 60 H PHE 60 8.955 8.966 -1.898 532 HA PHE 60 HA PHE 60 8.394 6.536 -0.705 533 1HB PHE 60 1HB PHE 60 8.484 7.837 -3.364 534 2HB PHE 60 2HB PHE 60 8.904 6.141 -3.496 535 HD1 PHE 60 HD1 PHE 60 7.261 4.502 -2.212 536 HD2 PHE 60 HD2 PHE 60 6.254 8.426 -3.477 537 HE1 PHE 60 HE1 PHE 60 4.826 3.895 -2.158 538 HE2 PHE 60 HE2 PHE 60 3.820 7.819 -3.423 539 HZ PHE 60 HZ PHE 60 3.135 5.560 -2.764 540 H ARG 61 H ARG 61 11.331 7.707 -2.402 541 HA ARG 61 HA ARG 61 12.525 5.295 -2.834 542 1HB ARG 61 1HB ARG 61 13.235 7.786 -3.425 543 2HB ARG 61 2HB ARG 61 14.137 7.704 -1.924 544 1HG ARG 61 1HG ARG 61 14.592 5.277 -3.476 545 2HG ARG 61 2HG ARG 61 14.913 6.682 -4.472 546 1HD ARG 61 1HD ARG 61 16.005 6.884 -1.708 547 2HD ARG 61 2HD ARG 61 16.703 5.587 -2.658 548 HE ARG 61 HE ARG 61 16.960 8.477 -3.172 549 1HH1 ARG 61 2HH2 ARG 61 17.342 5.229 -4.471 550 2HH1 ARG 61 1HH2 ARG 61 18.466 5.714 -5.697 551 1HH2 ARG 61 2HH1 ARG 61 18.443 9.117 -4.790 552 2HH2 ARG 61 1HH1 ARG 61 19.096 7.940 -5.879 553 H GLU 62 H GLU 62 12.473 7.392 0.102 554 HA GLU 62 HA GLU 62 14.354 5.909 1.523 555 1HB GLU 62 1HB GLU 62 12.360 8.046 2.104 556 2HB GLU 62 2HB GLU 62 12.804 7.059 3.483 557 1HG GLU 62 1HG GLU 62 14.332 8.967 3.349 558 2HG GLU 62 2HG GLU 62 15.227 7.499 3.011 559 H MET 63 H MET 63 10.760 5.752 1.274 560 HA MET 63 HA MET 63 10.400 3.902 3.301 561 1HB MET 63 1HB MET 63 8.862 5.229 1.248 562 2HB MET 63 2HB MET 63 8.497 3.519 1.121 563 1HG MET 63 1HG MET 63 7.750 3.398 3.416 564 2HG MET 63 2HG MET 63 8.449 4.957 3.808 565 1HE MET 63 1HE MET 63 5.731 3.113 1.632 566 2HE MET 63 2HE MET 63 4.964 4.496 0.816 567 3HE MET 63 3HE MET 63 6.660 4.086 0.468 568 H LEU 64 H LEU 64 10.816 3.459 -0.276 569 HA LEU 64 HA LEU 64 10.617 0.650 -0.158 570 1HB LEU 64 1HB LEU 64 11.947 2.369 -2.254 571 2HB LEU 64 2HB LEU 64 11.402 0.714 -2.442 572 HG LEU 64 HG LEU 64 9.428 2.852 -1.688 573 1HD1 LEU 64 1HD1 LEU 64 11.025 3.112 -3.946 574 2HD1 LEU 64 2HD1 LEU 64 9.529 2.364 -4.556 575 3HD1 LEU 64 3HD1 LEU 64 9.455 3.896 -3.653 576 1HD2 LEU 64 1HD2 LEU 64 7.841 1.407 -2.805 577 2HD2 LEU 64 2HD2 LEU 64 9.151 0.329 -3.343 578 3HD2 LEU 64 3HD2 LEU 64 8.771 0.471 -1.610 579 H GLU 65 H GLU 65 13.217 2.981 0.421 580 HA GLU 65 HA GLU 65 15.263 1.037 0.157 581 1HB GLU 65 1HB GLU 65 15.084 3.911 1.027 582 2HB GLU 65 2HB GLU 65 16.501 3.004 1.517 583 1HG GLU 65 1HG GLU 65 16.258 2.285 -1.162 584 2HG GLU 65 2HG GLU 65 15.707 3.949 -1.182 585 H LYS 66 H LYS 66 13.420 2.553 2.861 586 HA LYS 66 HA LYS 66 14.900 1.042 4.815 587 1HB LYS 66 1HB LYS 66 13.335 3.409 4.789 588 2HB LYS 66 2HB LYS 66 12.515 2.282 5.850 589 1HG LYS 66 1HG LYS 66 14.255 2.226 7.381 590 2HG LYS 66 2HG LYS 66 15.491 2.409 6.153 591 1HD LYS 66 1HD LYS 66 15.657 4.557 6.908 592 2HD LYS 66 2HD LYS 66 14.212 4.848 5.961 593 1HE LYS 66 1HE LYS 66 13.582 5.668 8.078 594 2HE LYS 66 2HE LYS 66 12.907 4.051 8.100 595 1HZ LYS 66 1HZ LYS 66 15.618 4.476 9.077 596 2HZ LYS 66 2HZ LYS 66 14.351 4.847 10.038 597 3HZ LYS 66 3HZ LYS 66 14.544 3.319 9.494 598 H GLU 67 H GLU 67 11.372 1.278 3.955 599 HA GLU 67 HA GLU 67 10.706 -1.040 5.284 600 1HB GLU 67 1HB GLU 67 9.384 0.947 3.778 601 2HB GLU 67 2HB GLU 67 9.014 -0.548 2.942 602 1HG GLU 67 1HG GLU 67 8.452 0.163 5.845 603 2HG GLU 67 2HG GLU 67 7.304 -0.304 4.606 604 H GLY 68 H GLY 68 11.383 -0.482 1.759 605 1HA GLY 68 1HA GLY 68 12.878 -2.274 0.843 606 2HA GLY 68 2HA GLY 68 11.694 -3.408 1.463 607 H LEU 69 H LEU 69 12.701 -1.990 -1.331 608 HA LEU 69 HA LEU 69 10.415 -0.983 -2.527 609 1HB LEU 69 1HB LEU 69 12.399 -0.548 -3.612 610 2HB LEU 69 2HB LEU 69 12.967 -2.201 -3.490 611 HG LEU 69 HG LEU 69 11.103 -2.804 -5.149 612 1HD1 LEU 69 1HD1 LEU 69 10.661 0.057 -4.893 613 2HD1 LEU 69 2HD1 LEU 69 10.941 -0.424 -6.584 614 3HD1 LEU 69 3HD1 LEU 69 9.645 -1.198 -5.641 615 1HD2 LEU 69 1HD2 LEU 69 12.589 -1.532 -7.030 616 2HD2 LEU 69 2HD2 LEU 69 13.690 -1.464 -5.633 617 3HD2 LEU 69 3HD2 LEU 69 13.075 -3.033 -6.205 618 H GLU 70 H GLU 70 11.784 -4.347 -2.744 619 HA GLU 70 HA GLU 70 9.532 -5.309 -4.081 620 1HB GLU 70 1HB GLU 70 12.040 -6.378 -2.970 621 2HB GLU 70 2HB GLU 70 10.716 -7.516 -2.815 622 1HG GLU 70 1HG GLU 70 10.202 -7.227 -5.260 623 2HG GLU 70 2HG GLU 70 11.559 -6.126 -5.404 624 H ASN 71 H ASN 71 10.125 -4.501 -0.760 625 HA ASN 71 HA ASN 71 8.166 -6.355 0.218 626 1HB ASN 71 1HB ASN 71 9.776 -4.125 1.566 627 2HB ASN 71 2HB ASN 71 8.645 -5.146 2.431 628 1HD2 ASN 71 1HD2 ASN 71 11.114 -5.155 3.327 629 2HD2 ASN 71 2HD2 ASN 71 11.977 -6.605 2.935 630 H VAL 72 H VAL 72 7.810 -3.817 -1.696 631 HA VAL 72 HA VAL 72 5.446 -2.836 -0.285 632 HB VAL 72 HB VAL 72 7.646 -1.171 -1.509 633 1HG1 VAL 72 1HG1 VAL 72 6.050 0.220 -2.247 634 2HG1 VAL 72 2HG1 VAL 72 4.771 -0.635 -1.351 635 3HG1 VAL 72 3HG1 VAL 72 5.754 0.604 -0.535 636 1HG2 VAL 72 1HG2 VAL 72 8.280 -0.769 0.592 637 2HG2 VAL 72 2HG2 VAL 72 6.631 -0.274 1.043 638 3HG2 VAL 72 3HG2 VAL 72 7.104 -1.988 1.138 639 H LEU 73 H LEU 73 7.336 -2.600 -3.386 640 HA LEU 73 HA LEU 73 4.779 -3.016 -4.771 641 1HB LEU 73 1HB LEU 73 6.171 -0.817 -4.991 642 2HB LEU 73 2HB LEU 73 7.192 -1.777 -6.044 643 HG LEU 73 HG LEU 73 4.582 -2.265 -6.952 644 1HD1 LEU 73 1HD1 LEU 73 3.921 -0.293 -5.525 645 2HD1 LEU 73 2HD1 LEU 73 4.926 0.718 -6.592 646 3HD1 LEU 73 3HD1 LEU 73 3.528 -0.160 -7.256 647 1HD2 LEU 73 1HD2 LEU 73 6.243 -2.207 -8.548 648 2HD2 LEU 73 2HD2 LEU 73 5.415 -0.659 -8.838 649 3HD2 LEU 73 3HD2 LEU 73 6.944 -0.693 -7.928 650 HA PRO 74 HA PRO 74 6.946 -6.781 -5.634 651 1HB PRO 74 1HB PRO 74 4.726 -8.337 -5.975 652 2HB PRO 74 2HB PRO 74 5.511 -8.114 -4.424 653 1HG PRO 74 1HG PRO 74 2.984 -6.937 -5.408 654 2HG PRO 74 2HG PRO 74 3.562 -7.075 -3.760 655 1HD PRO 74 1HD PRO 74 3.560 -4.712 -5.385 656 2HD PRO 74 2HD PRO 74 4.243 -4.879 -3.780 657 H GLY 75 H GLY 75 7.979 -6.925 -7.514 658 1HA GLY 75 1HA GLY 75 7.681 -7.762 -9.766 659 2HA GLY 75 2HA GLY 75 6.228 -6.792 -9.895 660 H VAL 76 H VAL 76 7.655 -4.561 -8.266 661 HA VAL 76 HA VAL 76 8.267 -2.850 -10.232 662 HB VAL 76 HB VAL 76 8.102 -2.337 -7.839 663 1HG1 VAL 76 1HG1 VAL 76 9.479 -3.134 -6.251 664 2HG1 VAL 76 2HG1 VAL 76 9.987 -4.317 -7.481 665 3HG1 VAL 76 3HG1 VAL 76 10.934 -2.831 -7.230 666 1HG2 VAL 76 1HG2 VAL 76 10.784 -1.299 -8.734 667 2HG2 VAL 76 2HG2 VAL 76 9.307 -0.871 -9.630 668 3HG2 VAL 76 3HG2 VAL 76 9.457 -0.448 -7.908 669 H LYS 77 H LYS 77 10.164 -2.138 -11.360 670 HA LYS 77 HA LYS 77 11.953 -4.337 -11.924 671 1HB LYS 77 1HB LYS 77 11.479 -1.632 -13.194 672 2HB LYS 77 2HB LYS 77 12.785 -2.690 -13.689 673 1HG LYS 77 1HG LYS 77 10.758 -4.497 -13.752 674 2HG LYS 77 2HG LYS 77 9.819 -3.042 -14.027 675 1HD LYS 77 1HD LYS 77 10.408 -3.238 -16.216 676 2HD LYS 77 2HD LYS 77 11.993 -2.667 -15.733 677 1HE LYS 77 1HE LYS 77 12.000 -5.429 -15.088 678 2HE LYS 77 2HE LYS 77 11.185 -5.338 -16.636 679 1HZ LYS 77 1HZ LYS 77 13.792 -5.352 -16.395 680 2HZ LYS 77 2HZ LYS 77 13.036 -4.611 -17.638 681 3HZ LYS 77 3HZ LYS 77 13.563 -3.735 -16.365 682 H SER 78 H SER 78 11.958 -1.109 -10.375 683 HA SER 78 HA SER 78 14.250 -1.813 -8.915 684 1HB SER 78 1HB SER 78 14.657 0.499 -10.853 685 2HB SER 78 2HB SER 78 15.844 -0.199 -9.769 686 HG SER 78 HG SER 78 16.310 -1.130 -11.729 687 H ILE 79 H ILE 79 14.947 0.147 -7.480 688 HA ILE 79 HA ILE 79 12.710 1.176 -6.231 689 HB ILE 79 HB ILE 79 15.582 2.106 -6.202 690 1HG1 ILE 79 1HG1 ILE 79 14.030 0.142 -4.499 691 2HG1 ILE 79 2HG1 ILE 79 15.414 -0.189 -5.522 692 1HG2 ILE 79 1HG2 ILE 79 14.238 2.678 -3.760 693 2HG2 ILE 79 2HG2 ILE 79 14.983 3.808 -4.915 694 3HG2 ILE 79 3HG2 ILE 79 13.270 3.357 -5.090 695 1HD1 ILE 79 1HD1 ILE 79 15.417 0.599 -2.773 696 2HD1 ILE 79 2HD1 ILE 79 16.823 0.311 -3.826 697 3HD1 ILE 79 3HD1 ILE 79 16.124 1.943 -3.701 698 H GLU 80 H GLU 80 14.768 2.519 -8.848 699 HA GLU 80 HA GLU 80 13.642 5.065 -8.766 700 1HB GLU 80 1HB GLU 80 15.500 3.558 -10.449 701 2HB GLU 80 2HB GLU 80 14.461 4.570 -11.431 702 1HG GLU 80 1HG GLU 80 15.304 6.078 -9.096 703 2HG GLU 80 2HG GLU 80 16.717 5.372 -9.855 704 H GLU 81 H GLU 81 12.860 2.087 -10.658 705 HA GLU 81 HA GLU 81 10.903 3.287 -12.221 706 1HB GLU 81 1HB GLU 81 11.626 0.462 -11.468 707 2HB GLU 81 2HB GLU 81 10.086 0.733 -12.259 708 1HG GLU 81 1HG GLU 81 12.487 2.089 -13.460 709 2HG GLU 81 2HG GLU 81 12.389 0.348 -13.639 710 H GLY 82 H GLY 82 10.841 1.734 -8.985 711 1HA GLY 82 1HA GLY 82 8.108 1.448 -8.631 712 2HA GLY 82 2HA GLY 82 9.285 1.731 -7.364 713 H ILE 83 H ILE 83 10.245 4.286 -7.846 714 HA ILE 83 HA ILE 83 8.228 5.876 -6.798 715 HB ILE 83 HB ILE 83 10.945 6.319 -7.933 716 1HG1 ILE 83 1HG1 ILE 83 10.349 7.561 -5.394 717 2HG1 ILE 83 2HG1 ILE 83 9.812 5.893 -5.379 718 1HG2 ILE 83 1HG2 ILE 83 8.888 8.476 -7.491 719 2HG2 ILE 83 2HG2 ILE 83 10.630 8.791 -7.308 720 3HG2 ILE 83 3HG2 ILE 83 9.986 8.231 -8.870 721 1HD1 ILE 83 1HD1 ILE 83 12.011 5.498 -4.830 722 2HD1 ILE 83 2HD1 ILE 83 12.230 5.559 -6.595 723 3HD1 ILE 83 3HD1 ILE 83 12.580 6.996 -5.604 724 H GLN 84 H GLN 84 9.346 5.359 -10.175 725 HA GLN 84 HA GLN 84 7.936 7.419 -11.318 726 1HB GLN 84 1HB GLN 84 9.045 4.794 -12.263 727 2HB GLN 84 2HB GLN 84 7.913 5.606 -13.326 728 1HG GLN 84 1HG GLN 84 10.418 6.897 -12.144 729 2HG GLN 84 2HG GLN 84 10.305 6.246 -13.767 730 1HE2 GLN 84 1HE2 GLN 84 10.729 8.989 -12.621 731 2HE2 GLN 84 2HE2 GLN 84 9.585 10.018 -13.416 732 H VAL 85 H VAL 85 6.917 4.132 -10.321 733 HA VAL 85 HA VAL 85 4.441 4.151 -11.642 734 HB VAL 85 HB VAL 85 5.771 2.614 -9.473 735 1HG1 VAL 85 1HG1 VAL 85 3.773 2.669 -8.317 736 2HG1 VAL 85 2HG1 VAL 85 2.795 2.841 -9.795 737 3HG1 VAL 85 3HG1 VAL 85 3.509 1.265 -9.379 738 1HG2 VAL 85 1HG2 VAL 85 4.585 2.099 -12.183 739 2HG2 VAL 85 2HG2 VAL 85 6.191 1.676 -11.541 740 3HG2 VAL 85 3HG2 VAL 85 4.758 0.751 -11.034 741 H TYR 86 H TYR 86 5.435 5.055 -8.274 742 HA TYR 86 HA TYR 86 2.850 5.770 -7.448 743 1HB TYR 86 1HB TYR 86 5.633 6.821 -6.641 744 2HB TYR 86 2HB TYR 86 4.206 6.879 -5.626 745 HD1 TYR 86 HD1 TYR 86 7.048 5.539 -5.214 746 HD2 TYR 86 HD2 TYR 86 3.179 4.053 -6.273 747 HE1 TYR 86 HE1 TYR 86 7.645 3.269 -4.237 748 HE2 TYR 86 HE2 TYR 86 3.788 1.788 -5.292 749 HH TYR 86 HH TYR 86 5.229 0.720 -3.996 750 H ARG 87 H ARG 87 5.372 7.469 -9.292 751 HA ARG 87 HA ARG 87 4.258 10.016 -8.831 752 1HB ARG 87 1HB ARG 87 6.616 8.940 -10.031 753 2HB ARG 87 2HB ARG 87 5.817 9.845 -11.302 754 1HG ARG 87 1HG ARG 87 7.386 11.277 -9.993 755 2HG ARG 87 2HG ARG 87 5.737 11.862 -9.895 756 1HD ARG 87 1HD ARG 87 5.460 11.122 -7.658 757 2HD ARG 87 2HD ARG 87 6.746 9.939 -7.781 758 HE ARG 87 HE ARG 87 7.050 12.691 -6.998 759 1HH1 ARG 87 2HH2 ARG 87 8.670 10.177 -8.851 760 2HH1 ARG 87 1HH2 ARG 87 10.252 10.837 -8.606 761 1HH2 ARG 87 2HH1 ARG 87 9.138 13.563 -6.674 762 2HH2 ARG 87 1HH1 ARG 87 10.520 12.776 -7.360 763 H ARG 88 H ARG 88 3.907 7.419 -11.263 764 HA ARG 88 HA ARG 88 2.662 8.938 -13.210 765 1HB ARG 88 1HB ARG 88 2.895 6.021 -12.535 766 2HB ARG 88 2HB ARG 88 1.578 6.451 -13.609 767 1HG ARG 88 1HG ARG 88 3.611 7.908 -14.742 768 2HG ARG 88 2HG ARG 88 4.530 6.572 -14.079 769 1HD ARG 88 1HD ARG 88 2.289 5.324 -15.255 770 2HD ARG 88 2HD ARG 88 2.691 6.606 -16.380 771 HE ARG 88 HE ARG 88 4.331 4.252 -15.746 772 1HH1 ARG 88 2HH2 ARG 88 4.317 7.498 -17.104 773 2HH1 ARG 88 1HH2 ARG 88 5.752 7.250 -18.042 774 1HH2 ARG 88 2HH1 ARG 88 6.224 3.924 -16.983 775 2HH2 ARG 88 1HH1 ARG 88 6.844 5.204 -17.973 776 H PHE 89 H PHE 89 1.362 6.926 -10.486 777 HA PHE 89 HA PHE 89 -1.342 7.602 -11.131 778 1HB PHE 89 1HB PHE 89 0.091 6.304 -8.737 779 2HB PHE 89 2HB PHE 89 -1.655 6.384 -8.867 780 HD1 PHE 89 HD1 PHE 89 0.621 4.052 -8.907 781 HD2 PHE 89 HD2 PHE 89 -2.092 5.732 -11.703 782 HE1 PHE 89 HE1 PHE 89 0.620 1.900 -10.198 783 HE2 PHE 89 HE2 PHE 89 -2.094 3.580 -12.995 784 HZ PHE 89 HZ PHE 89 -0.738 1.690 -12.227 785 H TYR 90 H TYR 90 0.962 8.374 -8.427 786 HA TYR 90 HA TYR 90 -0.883 10.422 -7.499 787 1HB TYR 90 1HB TYR 90 1.907 9.882 -6.420 788 2HB TYR 90 2HB TYR 90 0.449 10.231 -5.514 789 HD1 TYR 90 HD1 TYR 90 -1.300 8.084 -6.911 790 HD2 TYR 90 HD2 TYR 90 2.600 7.967 -5.157 791 HE1 TYR 90 HE1 TYR 90 -1.586 5.605 -6.423 792 HE2 TYR 90 HE2 TYR 90 2.301 5.489 -4.675 793 HH TYR 90 HH TYR 90 0.466 3.593 -6.068 794 H ASP 91 H ASP 91 -0.423 12.645 -7.450 795 HA ASP 91 HA ASP 91 1.196 13.545 -9.532 796 1HB ASP 91 1HB ASP 91 0.440 15.373 -7.258 797 2HB ASP 91 2HB ASP 91 0.387 15.680 -8.983 798 H GLU 92 H GLU 92 3.220 14.788 -9.386 799 HA GLU 92 HA GLU 92 4.905 13.859 -7.321 800 1HB GLU 92 1HB GLU 92 5.760 14.155 -9.593 801 2HB GLU 92 2HB GLU 92 5.342 15.857 -9.580 802 1HG GLU 92 1HG GLU 92 6.957 15.395 -7.256 803 2HG GLU 92 2HG GLU 92 7.749 14.571 -8.585 804 H GLU 93 H GLU 93 3.133 16.871 -8.044 805 HA GLU 93 HA GLU 93 4.519 18.481 -6.243 806 1HB GLU 93 1HB GLU 93 2.432 18.787 -8.105 807 2HB GLU 93 2HB GLU 93 1.689 19.198 -6.572 808 1HG GLU 93 1HG GLU 93 4.416 20.344 -7.035 809 2HG GLU 93 2HG GLU 93 3.148 20.964 -8.075 810 H LYS 94 H LYS 94 1.343 16.731 -5.955 811 HA LYS 94 HA LYS 94 0.889 17.434 -3.301 812 1HB LYS 94 1HB LYS 94 -0.313 15.788 -5.322 813 2HB LYS 94 2HB LYS 94 -0.250 14.877 -3.827 814 1HG LYS 94 1HG LYS 94 -1.043 17.676 -3.364 815 2HG LYS 94 2HG LYS 94 -2.122 16.875 -4.489 816 1HD LYS 94 1HD LYS 94 -1.704 14.950 -2.472 817 2HD LYS 94 2HD LYS 94 -1.809 16.461 -1.591 818 1HE LYS 94 1HE LYS 94 -3.849 16.077 -3.751 819 2HE LYS 94 2HE LYS 94 -3.996 15.009 -2.369 820 1HZ LYS 94 1HZ LYS 94 -4.693 17.682 -2.532 821 2HZ LYS 94 2HZ LYS 94 -4.849 16.680 -1.251 822 3HZ LYS 94 3HZ LYS 94 -3.490 17.569 -1.432 823 H GLU 95 H GLU 95 2.696 14.703 -4.794 824 HA GLU 95 HA GLU 95 3.097 13.317 -2.431 825 1HB GLU 95 1HB GLU 95 3.483 12.534 -4.845 826 2HB GLU 95 2HB GLU 95 5.008 13.396 -4.801 827 1HG GLU 95 1HG GLU 95 4.615 11.669 -2.433 828 2HG GLU 95 2HG GLU 95 4.584 10.767 -3.935 829 H LYS 96 H LYS 96 5.205 15.714 -4.167 830 HA LYS 96 HA LYS 96 7.218 15.680 -2.205 831 1HB LYS 96 1HB LYS 96 6.501 17.635 -4.401 832 2HB LYS 96 2HB LYS 96 7.894 17.844 -3.360 833 1HG LYS 96 1HG LYS 96 8.620 15.472 -4.027 834 2HG LYS 96 2HG LYS 96 7.338 15.493 -5.222 835 1HD LYS 96 1HD LYS 96 9.198 16.239 -6.465 836 2HD LYS 96 2HD LYS 96 8.405 17.742 -6.038 837 1HE LYS 96 1HE LYS 96 10.221 16.990 -3.895 838 2HE LYS 96 2HE LYS 96 11.084 16.937 -5.419 839 1HZ LYS 96 1HZ LYS 96 11.136 19.124 -4.483 840 2HZ LYS 96 2HZ LYS 96 10.278 19.164 -5.872 841 3HZ LYS 96 3HZ LYS 96 9.506 19.212 -4.434 842 H LYS 97 H LYS 97 4.006 16.871 -2.168 843 HA LYS 97 HA LYS 97 4.489 19.143 -0.515 844 1HB LYS 97 1HB LYS 97 2.495 18.617 -2.107 845 2HB LYS 97 2HB LYS 97 1.854 17.702 -0.758 846 1HG LYS 97 1HG LYS 97 1.755 19.636 0.661 847 2HG LYS 97 2HG LYS 97 2.819 20.561 -0.380 848 1HD LYS 97 1HD LYS 97 0.763 21.453 -1.017 849 2HD LYS 97 2HD LYS 97 0.910 20.166 -2.198 850 1HE LYS 97 1HE LYS 97 -0.690 18.814 -1.143 851 2HE LYS 97 2HE LYS 97 -0.382 19.493 0.443 852 1HZ LYS 97 1HZ LYS 97 -2.210 20.650 0.019 853 2HZ LYS 97 2HZ LYS 97 -1.275 21.607 -0.917 854 3HZ LYS 97 3HZ LYS 97 -2.154 20.410 -1.595 855 H TYR 98 H TYR 98 3.023 15.869 0.094 856 HA TYR 98 HA TYR 98 3.568 16.272 2.934 857 1HB TYR 98 1HB TYR 98 2.014 14.257 1.199 858 2HB TYR 98 2HB TYR 98 2.146 14.077 2.937 859 HD1 TYR 98 HD1 TYR 98 0.098 15.270 0.377 860 HD2 TYR 98 HD2 TYR 98 1.460 16.317 4.295 861 HE1 TYR 98 HE1 TYR 98 -1.936 16.763 0.693 862 HE2 TYR 98 HE2 TYR 98 -0.578 17.806 4.598 863 HH TYR 98 HH TYR 98 -3.191 17.773 2.300 864 H GLY 99 H GLY 99 4.021 13.769 0.335 865 1HA GLY 99 1HA GLY 99 6.367 12.975 0.171 866 2HA GLY 99 2HA GLY 99 6.310 12.745 1.907 867 H VAL 100 H VAL 100 6.330 10.551 2.244 868 HA VAL 100 HA VAL 100 4.188 9.041 0.935 869 HB VAL 100 HB VAL 100 6.931 7.889 1.372 870 1HG1 VAL 100 1HG1 VAL 100 6.231 6.142 -0.012 871 2HG1 VAL 100 2HG1 VAL 100 4.772 6.516 0.937 872 3HG1 VAL 100 3HG1 VAL 100 4.921 7.106 -0.736 873 1HG2 VAL 100 1HG2 VAL 100 7.642 9.475 -0.109 874 2HG2 VAL 100 2HG2 VAL 100 6.991 8.296 -1.273 875 3HG2 VAL 100 3HG2 VAL 100 6.022 9.714 -0.807 876 H VAL 101 H VAL 101 3.416 7.216 2.191 877 HA VAL 101 HA VAL 101 4.404 7.147 4.940 878 HB VAL 101 HB VAL 101 1.996 7.061 5.681 879 1HG1 VAL 101 1HG1 VAL 101 3.253 9.569 4.555 880 2HG1 VAL 101 2HG1 VAL 101 1.716 9.607 5.450 881 3HG1 VAL 101 3HG1 VAL 101 3.193 9.009 6.243 882 1HG2 VAL 101 1HG2 VAL 101 1.356 6.853 3.068 883 2HG2 VAL 101 2HG2 VAL 101 0.244 7.494 4.301 884 3HG2 VAL 101 3HG2 VAL 101 1.180 8.611 3.279 885 H ALA 102 H ALA 102 5.161 5.094 5.096 886 HA ALA 102 HA ALA 102 4.068 3.004 3.496 887 1HB ALA 102 1HB ALA 102 5.680 1.980 5.615 888 2HB ALA 102 2HB ALA 102 6.132 2.227 3.911 889 3HB ALA 102 3HB ALA 102 6.403 3.523 5.100 890 H ILE 103 H ILE 103 1.921 2.549 3.947 891 HA ILE 103 HA ILE 103 1.114 2.320 6.715 892 HB ILE 103 HB ILE 103 -0.433 1.949 4.147 893 1HG1 ILE 103 1HG1 ILE 103 -1.096 4.307 5.686 894 2HG1 ILE 103 2HG1 ILE 103 0.611 4.310 5.292 895 1HG2 ILE 103 1HG2 ILE 103 -1.704 0.817 5.706 896 2HG2 ILE 103 2HG2 ILE 103 -1.209 1.879 7.046 897 3HG2 ILE 103 3HG2 ILE 103 -2.361 2.467 5.823 898 1HD1 ILE 103 1HD1 ILE 103 -1.760 4.217 3.405 899 2HD1 ILE 103 2HD1 ILE 103 -0.373 5.332 3.402 900 3HD1 ILE 103 3HD1 ILE 103 -0.160 3.646 2.873 901 H GLU 104 H GLU 104 1.056 0.455 7.862 902 HA GLU 104 HA GLU 104 1.786 -1.933 6.414 903 1HB GLU 104 1HB GLU 104 2.944 -1.144 8.571 904 2HB GLU 104 2HB GLU 104 1.484 -1.603 9.425 905 1HG GLU 104 1HG GLU 104 1.700 -3.935 8.608 906 2HG GLU 104 2HG GLU 104 3.104 -3.496 7.656 907 H ILE 105 H ILE 105 0.087 -3.046 5.532 908 HA ILE 105 HA ILE 105 -2.369 -3.185 7.131 909 HB ILE 105 HB ILE 105 -3.593 -3.348 5.187 910 1HG1 ILE 105 1HG1 ILE 105 -2.342 -5.173 4.144 911 2HG1 ILE 105 2HG1 ILE 105 -2.728 -3.916 2.985 912 1HG2 ILE 105 1HG2 ILE 105 -2.682 -1.555 3.639 913 2HG2 ILE 105 2HG2 ILE 105 -2.867 -1.107 5.352 914 3HG2 ILE 105 3HG2 ILE 105 -1.256 -1.495 4.703 915 1HD1 ILE 105 1HD1 ILE 105 -0.344 -2.954 3.652 916 2HD1 ILE 105 2HD1 ILE 105 -0.055 -4.621 4.203 917 3HD1 ILE 105 3HD1 ILE 105 -0.471 -4.305 2.501 918 H GLU 106 H GLU 106 -3.615 -5.376 6.562 919 HA GLU 106 HA GLU 106 -1.817 -7.563 6.198 920 1HB GLU 106 1HB GLU 106 -1.986 -6.714 8.777 921 2HB GLU 106 2HB GLU 106 -3.375 -7.782 8.746 922 1HG GLU 106 1HG GLU 106 -1.749 -9.341 9.287 923 2HG GLU 106 2HG GLU 106 -1.644 -9.446 7.541 924 HA PRO 107 HA PRO 107 -5.832 -8.527 4.578 925 1HB PRO 107 1HB PRO 107 -4.971 -10.174 2.575 926 2HB PRO 107 2HB PRO 107 -5.152 -8.442 2.380 927 1HG PRO 107 1HG PRO 107 -2.674 -10.023 2.691 928 2HG PRO 107 2HG PRO 107 -2.866 -8.392 2.080 929 1HD PRO 107 1HD PRO 107 -1.906 -9.151 4.674 930 2HD PRO 107 2HD PRO 107 -2.208 -7.522 4.104 931 H LEU 108 H LEU 108 -6.908 -9.632 6.121 932 HA LEU 108 HA LEU 108 -5.835 -12.240 6.785 933 1HB LEU 108 1HB LEU 108 -7.845 -12.172 8.383 934 2HB LEU 108 2HB LEU 108 -6.459 -11.144 8.693 935 HG LEU 108 HG LEU 108 -8.710 -9.974 7.117 936 1HD1 LEU 108 1HD1 LEU 108 -9.709 -9.316 9.433 937 2HD1 LEU 108 2HD1 LEU 108 -10.118 -10.888 8.703 938 3HD1 LEU 108 3HD1 LEU 108 -8.900 -10.798 9.998 939 1HD2 LEU 108 1HD2 LEU 108 -6.370 -9.061 8.506 940 2HD2 LEU 108 2HD2 LEU 108 -7.490 -8.156 7.460 941 3HD2 LEU 108 3HD2 LEU 108 -7.814 -8.292 9.205 942 H GLU 109 H GLU 109 -6.136 -13.413 4.834 943 HA GLU 109 HA GLU 109 -8.872 -14.261 4.529 944 1HB GLU 109 1HB GLU 109 -8.757 -12.497 2.862 945 2HB GLU 109 2HB GLU 109 -7.220 -13.083 2.257 946 1HG GLU 109 1HG GLU 109 -8.285 -14.476 0.823 947 2HG GLU 109 2HG GLU 109 -9.072 -15.286 2.163 948 H TYR 110 H TYR 110 -6.636 -14.899 1.908 949 HA TYR 110 HA TYR 110 -5.488 -17.226 3.167 950 1HB TYR 110 1HB TYR 110 -7.968 -17.218 1.606 951 2HB TYR 110 2HB TYR 110 -6.737 -18.034 0.662 952 HD1 TYR 110 HD1 TYR 110 -5.620 -20.085 1.572 953 HD2 TYR 110 HD2 TYR 110 -8.931 -18.240 3.555 954 HE1 TYR 110 HE1 TYR 110 -6.004 -22.206 2.920 955 HE2 TYR 110 HE2 TYR 110 -9.305 -20.367 4.896 956 HH TYR 110 HH TYR 110 -7.159 -22.595 5.371 Start of MODEL 7 1 HA MET 1 HA MET 1 -17.133 3.986 8.817 2 1HB MET 1 1HB MET 1 -15.474 3.827 11.321 3 2HB MET 1 2HB MET 1 -14.649 4.486 9.922 4 1HG MET 1 1HG MET 1 -16.040 6.364 9.800 5 2HG MET 1 2HG MET 1 -17.415 5.530 10.497 6 1HE MET 1 1HE MET 1 -15.287 8.566 12.634 7 2HE MET 1 2HE MET 1 -14.947 8.103 10.949 8 3HE MET 1 3HE MET 1 -16.614 8.471 11.452 9 H GLU 2 H GLU 2 -16.900 1.061 8.442 10 HA GLU 2 HA GLU 2 -14.261 0.385 7.876 11 1HB GLU 2 1HB GLU 2 -16.165 -1.227 8.209 12 2HB GLU 2 2HB GLU 2 -16.816 -0.749 6.654 13 1HG GLU 2 1HG GLU 2 -15.352 -2.078 5.530 14 2HG GLU 2 2HG GLU 2 -13.980 -1.427 6.404 15 H TRP 3 H TRP 3 -13.119 0.251 5.847 16 HA TRP 3 HA TRP 3 -14.103 2.211 3.907 17 1HB TRP 3 1HB TRP 3 -11.328 1.102 3.878 18 2HB TRP 3 2HB TRP 3 -11.918 2.663 3.342 19 HD1 TRP 3 HD1 TRP 3 -10.070 1.180 6.167 20 HE1 TRP 3 HE1 TRP 3 -9.878 2.770 8.264 21 HE3 TRP 3 HE3 TRP 3 -13.635 4.475 4.653 22 HZ2 TRP 3 HZ2 TRP 3 -11.209 5.174 9.037 23 HZ3 TRP 3 HZ3 TRP 3 -14.128 6.416 6.138 24 HH2 TRP 3 HH2 TRP 3 -12.981 6.792 8.263 25 H GLU 4 H GLU 4 -14.271 1.634 1.678 26 HA GLU 4 HA GLU 4 -13.737 -1.143 1.062 27 1HB GLU 4 1HB GLU 4 -15.944 -1.503 0.088 28 2HB GLU 4 2HB GLU 4 -16.133 -1.013 1.760 29 1HG GLU 4 1HG GLU 4 -17.550 0.593 0.995 30 2HG GLU 4 2HG GLU 4 -16.126 1.436 0.417 31 H MET 5 H MET 5 -13.132 -1.489 -1.115 32 HA MET 5 HA MET 5 -13.367 0.805 -2.870 33 1HB MET 5 1HB MET 5 -10.765 -0.765 -2.444 34 2HB MET 5 2HB MET 5 -10.968 0.625 -3.492 35 1HG MET 5 1HG MET 5 -11.803 1.795 -1.218 36 2HG MET 5 2HG MET 5 -10.851 0.524 -0.476 37 1HE MET 5 1HE MET 5 -9.812 3.304 0.240 38 2HE MET 5 2HE MET 5 -9.062 1.728 0.587 39 3HE MET 5 3HE MET 5 -8.085 3.044 -0.106 40 H GLY 6 H GLY 6 -11.991 -0.125 -5.092 41 1HA GLY 6 1HA GLY 6 -12.820 -2.878 -5.592 42 2HA GLY 6 2HA GLY 6 -13.634 -1.631 -6.516 43 H LEU 7 H LEU 7 -10.239 -2.436 -5.468 44 HA LEU 7 HA LEU 7 -9.169 -1.241 -7.832 45 1HB LEU 7 1HB LEU 7 -7.031 -2.260 -6.919 46 2HB LEU 7 2HB LEU 7 -7.820 -1.013 -5.973 47 HG LEU 7 HG LEU 7 -8.747 -3.647 -5.173 48 1HD1 LEU 7 1HD1 LEU 7 -5.774 -3.200 -5.330 49 2HD1 LEU 7 2HD1 LEU 7 -6.491 -4.221 -4.060 50 3HD1 LEU 7 3HD1 LEU 7 -6.727 -4.636 -5.775 51 1HD2 LEU 7 1HD2 LEU 7 -9.148 -2.103 -3.562 52 2HD2 LEU 7 2HD2 LEU 7 -7.556 -2.657 -2.990 53 3HD2 LEU 7 3HD2 LEU 7 -7.688 -1.157 -3.940 54 H GLN 8 H GLN 8 -7.253 -2.889 -8.820 55 HA GLN 8 HA GLN 8 -8.846 -4.702 -10.298 56 1HB GLN 8 1HB GLN 8 -6.286 -3.411 -10.562 57 2HB GLN 8 2HB GLN 8 -6.033 -5.134 -10.755 58 1HG GLN 8 1HG GLN 8 -6.617 -4.621 -12.938 59 2HG GLN 8 2HG GLN 8 -8.220 -4.939 -12.305 60 1HE2 GLN 8 1HE2 GLN 8 -7.246 -3.202 -14.488 61 2HE2 GLN 8 2HE2 GLN 8 -7.862 -1.613 -14.174 62 H GLU 9 H GLU 9 -8.467 -7.046 -10.503 63 HA GLU 9 HA GLU 9 -8.293 -8.262 -8.021 64 1HB GLU 9 1HB GLU 9 -9.191 -8.987 -10.520 65 2HB GLU 9 2HB GLU 9 -7.738 -9.961 -10.404 66 1HG GLU 9 1HG GLU 9 -8.579 -11.273 -8.698 67 2HG GLU 9 2HG GLU 9 -9.438 -9.942 -7.948 68 H GLU 10 H GLU 10 -5.950 -8.105 -10.785 69 HA GLU 10 HA GLU 10 -4.027 -9.712 -9.729 70 1HB GLU 10 1HB GLU 10 -4.294 -7.981 -11.937 71 2HB GLU 10 2HB GLU 10 -2.877 -7.383 -11.096 72 1HG GLU 10 1HG GLU 10 -2.186 -9.940 -10.982 73 2HG GLU 10 2HG GLU 10 -3.351 -10.136 -12.277 74 H PHE 11 H PHE 11 -4.895 -6.361 -8.908 75 HA PHE 11 HA PHE 11 -2.500 -5.843 -7.462 76 1HB PHE 11 1HB PHE 11 -4.784 -4.480 -8.464 77 2HB PHE 11 2HB PHE 11 -4.993 -4.387 -6.727 78 HD1 PHE 11 HD1 PHE 11 -3.351 -3.191 -5.340 79 HD2 PHE 11 HD2 PHE 11 -3.021 -3.269 -9.570 80 HE1 PHE 11 HE1 PHE 11 -1.747 -1.262 -5.250 81 HE2 PHE 11 HE2 PHE 11 -1.417 -1.340 -9.480 82 HZ PHE 11 HZ PHE 11 -0.799 -0.360 -7.321 83 H LEU 12 H LEU 12 -5.709 -7.226 -6.737 84 HA LEU 12 HA LEU 12 -5.622 -6.925 -3.964 85 1HB LEU 12 1HB LEU 12 -7.060 -8.741 -5.865 86 2HB LEU 12 2HB LEU 12 -7.171 -9.017 -4.138 87 HG LEU 12 HG LEU 12 -7.840 -6.351 -5.398 88 1HD1 LEU 12 1HD1 LEU 12 -10.218 -7.694 -4.649 89 2HD1 LEU 12 2HD1 LEU 12 -9.694 -7.191 -6.275 90 3HD1 LEU 12 3HD1 LEU 12 -9.281 -8.813 -5.668 91 1HD2 LEU 12 1HD2 LEU 12 -7.471 -7.082 -2.752 92 2HD2 LEU 12 2HD2 LEU 12 -8.339 -5.645 -3.345 93 3HD2 LEU 12 3HD2 LEU 12 -9.238 -7.132 -2.960 94 H GLU 13 H GLU 13 -4.437 -9.542 -6.155 95 HA GLU 13 HA GLU 13 -3.682 -11.288 -4.181 96 1HB GLU 13 1HB GLU 13 -3.719 -11.463 -6.826 97 2HB GLU 13 2HB GLU 13 -2.041 -10.976 -6.701 98 1HG GLU 13 1HG GLU 13 -1.965 -13.356 -6.644 99 2HG GLU 13 2HG GLU 13 -1.758 -12.878 -4.971 100 H LEU 14 H LEU 14 -2.098 -8.351 -5.438 101 HA LEU 14 HA LEU 14 0.457 -8.815 -4.433 102 1HB LEU 14 1HB LEU 14 -1.026 -6.221 -4.881 103 2HB LEU 14 2HB LEU 14 0.697 -6.361 -4.592 104 HG LEU 14 HG LEU 14 -0.884 -7.208 -7.011 105 1HD1 LEU 14 1HD1 LEU 14 0.074 -4.886 -6.769 106 2HD1 LEU 14 2HD1 LEU 14 1.690 -5.631 -6.830 107 3HD1 LEU 14 3HD1 LEU 14 0.584 -5.787 -8.216 108 1HD2 LEU 14 1HD2 LEU 14 1.549 -8.052 -7.721 109 2HD2 LEU 14 2HD2 LEU 14 1.637 -8.406 -5.979 110 3HD2 LEU 14 3HD2 LEU 14 0.340 -9.119 -6.968 111 H ILE 15 H ILE 15 -2.480 -7.329 -2.948 112 HA ILE 15 HA ILE 15 -1.286 -6.513 -0.586 113 HB ILE 15 HB ILE 15 -4.073 -7.280 -1.383 114 1HG1 ILE 15 1HG1 ILE 15 -4.362 -4.792 -0.753 115 2HG1 ILE 15 2HG1 ILE 15 -2.611 -4.711 -0.769 116 1HG2 ILE 15 1HG2 ILE 15 -3.016 -6.958 1.370 117 2HG2 ILE 15 2HG2 ILE 15 -4.520 -6.086 0.987 118 3HG2 ILE 15 3HG2 ILE 15 -4.435 -7.851 0.773 119 1HD1 ILE 15 1HD1 ILE 15 -2.482 -5.293 -3.085 120 2HD1 ILE 15 2HD1 ILE 15 -4.162 -5.880 -3.110 121 3HD1 ILE 15 3HD1 ILE 15 -3.831 -4.137 -2.975 122 H LYS 16 H LYS 16 -2.471 -9.715 -1.663 123 HA LYS 16 HA LYS 16 -2.351 -10.935 0.862 124 1HB LYS 16 1HB LYS 16 -3.113 -11.632 -1.753 125 2HB LYS 16 2HB LYS 16 -1.826 -12.747 -1.344 126 1HG LYS 16 1HG LYS 16 -3.020 -13.208 0.860 127 2HG LYS 16 2HG LYS 16 -4.349 -12.218 0.292 128 1HD LYS 16 1HD LYS 16 -3.369 -14.444 -1.498 129 2HD LYS 16 2HD LYS 16 -4.320 -14.876 -0.090 130 1HE LYS 16 1HE LYS 16 -6.174 -13.440 -0.825 131 2HE LYS 16 2HE LYS 16 -5.213 -12.796 -2.141 132 1HZ LYS 16 1HZ LYS 16 -6.057 -15.594 -1.843 133 2HZ LYS 16 2HZ LYS 16 -6.640 -14.518 -2.924 134 3HZ LYS 16 3HZ LYS 16 -5.097 -15.040 -3.043 135 H LEU 17 H LEU 17 0.080 -10.111 -1.586 136 HA LEU 17 HA LEU 17 2.064 -11.786 -0.320 137 1HB LEU 17 1HB LEU 17 1.965 -10.012 -2.734 138 2HB LEU 17 2HB LEU 17 3.512 -10.498 -2.070 139 HG LEU 17 HG LEU 17 1.690 -12.763 -2.421 140 1HD1 LEU 17 1HD1 LEU 17 1.284 -12.751 -4.666 141 2HD1 LEU 17 2HD1 LEU 17 1.171 -11.006 -4.335 142 3HD1 LEU 17 3HD1 LEU 17 2.663 -11.685 -5.030 143 1HD2 LEU 17 1HD2 LEU 17 3.619 -13.825 -3.320 144 2HD2 LEU 17 2HD2 LEU 17 4.423 -12.265 -3.620 145 3HD2 LEU 17 3HD2 LEU 17 4.162 -12.825 -1.951 146 H ARG 18 H ARG 18 0.765 -8.554 -0.073 147 HA ARG 18 HA ARG 18 3.136 -7.443 1.001 148 1HB ARG 18 1HB ARG 18 0.231 -6.491 0.980 149 2HB ARG 18 2HB ARG 18 1.544 -5.531 1.632 150 1HG ARG 18 1HG ARG 18 2.583 -5.267 -0.494 151 2HG ARG 18 2HG ARG 18 1.745 -6.643 -1.183 152 1HD ARG 18 1HD ARG 18 -0.116 -5.406 -1.718 153 2HD ARG 18 2HD ARG 18 -0.094 -4.531 -0.200 154 HE ARG 18 HE ARG 18 2.131 -3.685 -1.818 155 1HH1 ARG 18 2HH2 ARG 18 -1.371 -3.400 -1.615 156 2HH1 ARG 18 1HH2 ARG 18 -1.421 -1.870 -2.424 157 1HH2 ARG 18 2HH1 ARG 18 2.065 -1.665 -2.885 158 2HH2 ARG 18 1HH1 ARG 18 0.547 -0.876 -3.152 159 H LYS 19 H LYS 19 1.167 -9.813 2.167 160 HA LYS 19 HA LYS 19 0.613 -8.851 4.784 161 1HB LYS 19 1HB LYS 19 -0.692 -10.617 3.599 162 2HB LYS 19 2HB LYS 19 0.680 -11.697 3.740 163 1HG LYS 19 1HG LYS 19 0.446 -10.853 6.350 164 2HG LYS 19 2HG LYS 19 -1.229 -10.769 5.842 165 1HD LYS 19 1HD LYS 19 0.446 -13.237 5.256 166 2HD LYS 19 2HD LYS 19 -0.323 -13.030 6.816 167 1HE LYS 19 1HE LYS 19 -2.442 -12.450 5.174 168 2HE LYS 19 2HE LYS 19 -1.563 -13.561 4.143 169 1HZ LYS 19 1HZ LYS 19 -2.975 -14.834 5.473 170 2HZ LYS 19 2HZ LYS 19 -1.490 -15.061 6.114 171 3HZ LYS 19 3HZ LYS 19 -2.555 -14.069 6.853 172 H LYS 20 H LYS 20 3.477 -9.752 3.162 173 HA LYS 20 HA LYS 20 4.787 -10.112 5.758 174 1HB LYS 20 1HB LYS 20 4.424 -12.241 4.200 175 2HB LYS 20 2HB LYS 20 5.832 -11.597 3.380 176 1HG LYS 20 1HG LYS 20 7.101 -12.585 4.983 177 2HG LYS 20 2HG LYS 20 6.509 -11.370 6.099 178 1HD LYS 20 1HD LYS 20 4.545 -13.528 5.714 179 2HD LYS 20 2HD LYS 20 6.085 -14.154 6.267 180 1HE LYS 20 1HE LYS 20 5.807 -13.281 8.356 181 2HE LYS 20 2HE LYS 20 5.355 -11.710 7.726 182 1HZ LYS 20 1HZ LYS 20 3.195 -12.225 7.823 183 2HZ LYS 20 2HZ LYS 20 3.395 -13.790 7.401 184 3HZ LYS 20 3HZ LYS 20 3.670 -13.318 8.940 185 H LYS 21 H LYS 21 4.242 -8.032 3.351 186 HA LYS 21 HA LYS 21 7.027 -7.106 3.368 187 1HB LYS 21 1HB LYS 21 5.087 -7.186 1.048 188 2HB LYS 21 2HB LYS 21 6.502 -6.153 1.063 189 1HG LYS 21 1HG LYS 21 8.001 -8.059 1.258 190 2HG LYS 21 2HG LYS 21 6.670 -9.154 1.578 191 1HD LYS 21 1HD LYS 21 6.079 -7.829 -0.901 192 2HD LYS 21 2HD LYS 21 7.757 -8.327 -0.980 193 1HE LYS 21 1HE LYS 21 6.416 -10.539 0.176 194 2HE LYS 21 2HE LYS 21 5.331 -9.975 -1.079 195 1HZ LYS 21 1HZ LYS 21 8.148 -10.729 -1.397 196 2HZ LYS 21 2HZ LYS 21 6.844 -11.464 -2.048 197 3HZ LYS 21 3HZ LYS 21 7.292 -9.983 -2.570 198 H ILE 22 H ILE 22 4.916 -5.105 1.594 199 HA ILE 22 HA ILE 22 3.648 -3.757 3.721 200 HB ILE 22 HB ILE 22 6.388 -3.185 3.459 201 1HG1 ILE 22 1HG1 ILE 22 5.099 -3.110 5.525 202 2HG1 ILE 22 2HG1 ILE 22 5.944 -1.597 5.261 203 1HG2 ILE 22 1HG2 ILE 22 4.823 -0.718 2.710 204 2HG2 ILE 22 2HG2 ILE 22 6.585 -0.975 2.716 205 3HG2 ILE 22 3HG2 ILE 22 5.574 -1.768 1.484 206 1HD1 ILE 22 1HD1 ILE 22 3.594 -1.232 6.011 207 2HD1 ILE 22 2HD1 ILE 22 3.879 -0.550 4.392 208 3HD1 ILE 22 3HD1 ILE 22 3.011 -2.094 4.567 209 H GLU 23 H GLU 23 3.038 -1.367 2.767 210 HA GLU 23 HA GLU 23 2.680 -1.598 -0.087 211 1HB GLU 23 1HB GLU 23 0.330 -1.538 -0.085 212 2HB GLU 23 2HB GLU 23 0.684 -2.659 1.215 213 1HG GLU 23 1HG GLU 23 0.388 -0.879 2.896 214 2HG GLU 23 2HG GLU 23 0.187 0.325 1.639 215 H GLY 24 H GLY 24 2.788 0.401 -1.103 216 1HA GLY 24 1HA GLY 24 3.218 2.704 0.653 217 2HA GLY 24 2HA GLY 24 3.658 2.556 -1.036 218 H ARG 25 H ARG 25 2.194 4.776 0.179 219 HA ARG 25 HA ARG 25 0.294 5.148 -1.731 220 1HB ARG 25 1HB ARG 25 -1.083 3.427 -0.640 221 2HB ARG 25 2HB ARG 25 -0.880 4.189 0.925 222 1HG ARG 25 1HG ARG 25 -2.985 5.003 0.308 223 2HG ARG 25 2HG ARG 25 -1.952 6.306 -0.244 224 1HD ARG 25 1HD ARG 25 -2.013 5.495 -2.543 225 2HD ARG 25 2HD ARG 25 -2.784 3.997 -2.059 226 HE ARG 25 HE ARG 25 -4.411 6.205 -1.203 227 1HH1 ARG 25 2HH2 ARG 25 -3.443 4.506 -4.129 228 2HH1 ARG 25 1HH2 ARG 25 -4.888 4.910 -4.994 229 1HH2 ARG 25 2HH1 ARG 25 -6.317 6.739 -2.345 230 2HH2 ARG 25 1HH1 ARG 25 -6.534 6.188 -3.973 231 H LEU 26 H LEU 26 0.964 7.301 -1.803 232 HA LEU 26 HA LEU 26 1.870 8.879 0.147 233 1HB LEU 26 1HB LEU 26 1.874 10.348 -1.489 234 2HB LEU 26 2HB LEU 26 0.989 9.193 -2.466 235 HG LEU 26 HG LEU 26 -1.137 10.224 -1.389 236 1HD1 LEU 26 1HD1 LEU 26 -0.946 11.943 -0.002 237 2HD1 LEU 26 2HD1 LEU 26 0.821 11.730 -0.033 238 3HD1 LEU 26 3HD1 LEU 26 0.039 12.843 -1.180 239 1HD2 LEU 26 1HD2 LEU 26 -1.097 10.639 -3.612 240 2HD2 LEU 26 2HD2 LEU 26 -0.751 12.295 -3.059 241 3HD2 LEU 26 3HD2 LEU 26 0.579 11.237 -3.588 242 H TYR 27 H TYR 27 1.097 10.208 1.808 243 HA TYR 27 HA TYR 27 -1.304 9.322 3.025 244 1HB TYR 27 1HB TYR 27 1.025 10.404 3.862 245 2HB TYR 27 2HB TYR 27 0.204 11.926 3.579 246 HD1 TYR 27 HD1 TYR 27 -0.067 12.791 5.750 247 HD2 TYR 27 HD2 TYR 27 -1.257 8.764 4.933 248 HE1 TYR 27 HE1 TYR 27 -1.141 12.634 8.050 249 HE2 TYR 27 HE2 TYR 27 -2.326 8.620 7.235 250 HH TYR 27 HH TYR 27 -3.103 9.890 8.938 251 H ASP 28 H ASP 28 -2.997 9.729 1.468 252 HA ASP 28 HA ASP 28 -3.383 12.407 0.597 253 1HB ASP 28 1HB ASP 28 -5.234 9.980 0.456 254 2HB ASP 28 2HB ASP 28 -5.475 11.480 -0.417 255 H GLU 29 H GLU 29 -6.111 12.891 0.813 256 HA GLU 29 HA GLU 29 -6.349 13.599 3.514 257 1HB GLU 29 1HB GLU 29 -8.298 13.695 1.176 258 2HB GLU 29 2HB GLU 29 -8.696 14.322 2.764 259 1HG GLU 29 1HG GLU 29 -6.637 15.800 2.641 260 2HG GLU 29 2HG GLU 29 -6.370 15.232 1.004 261 H LYS 30 H LYS 30 -7.817 11.045 1.438 262 HA LYS 30 HA LYS 30 -9.640 10.138 3.377 263 1HB LYS 30 1HB LYS 30 -8.518 9.075 0.804 264 2HB LYS 30 2HB LYS 30 -9.420 7.995 1.848 265 1HG LYS 30 1HG LYS 30 -10.619 10.705 1.318 266 2HG LYS 30 2HG LYS 30 -10.622 9.559 -0.007 267 1HD LYS 30 1HD LYS 30 -11.598 7.859 1.741 268 2HD LYS 30 2HD LYS 30 -11.930 9.273 2.721 269 1HE LYS 30 1HE LYS 30 -12.821 9.835 0.030 270 2HE LYS 30 2HE LYS 30 -13.442 8.260 0.483 271 1HZ LYS 30 1HZ LYS 30 -14.906 10.013 1.179 272 2HZ LYS 30 2HZ LYS 30 -14.313 9.246 2.493 273 3HZ LYS 30 3HZ LYS 30 -13.734 10.714 2.073 274 H ARG 31 H ARG 31 -6.258 9.216 2.519 275 HA ARG 31 HA ARG 31 -6.089 7.027 4.138 276 1HB ARG 31 1HB ARG 31 -3.986 9.091 3.333 277 2HB ARG 31 2HB ARG 31 -3.572 7.620 4.192 278 1HG ARG 31 1HG ARG 31 -5.179 7.536 1.609 279 2HG ARG 31 2HG ARG 31 -3.428 7.600 1.585 280 1HD ARG 31 1HD ARG 31 -3.192 5.442 2.408 281 2HD ARG 31 2HD ARG 31 -4.621 5.549 3.416 282 HE ARG 31 HE ARG 31 -5.687 5.595 0.874 283 1HH1 ARG 31 2HH2 ARG 31 -3.415 3.447 2.488 284 2HH1 ARG 31 1HH2 ARG 31 -3.874 2.057 1.562 285 1HH2 ARG 31 2HH1 ARG 31 -6.292 3.761 -0.349 286 2HH2 ARG 31 1HH1 ARG 31 -5.521 2.237 -0.063 287 H ARG 32 H ARG 32 -5.504 10.524 4.855 288 HA ARG 32 HA ARG 32 -4.446 10.295 7.328 289 1HB ARG 32 1HB ARG 32 -6.215 12.345 5.985 290 2HB ARG 32 2HB ARG 32 -5.897 12.540 7.697 291 1HG ARG 32 1HG ARG 32 -3.422 12.405 7.225 292 2HG ARG 32 2HG ARG 32 -3.776 12.293 5.512 293 1HD ARG 32 1HD ARG 32 -3.430 14.596 5.714 294 2HD ARG 32 2HD ARG 32 -5.166 14.525 5.939 295 HE ARG 32 HE ARG 32 -3.141 15.050 8.029 296 1HH1 ARG 32 2HH2 ARG 32 -6.507 14.339 7.289 297 2HH1 ARG 32 1HH2 ARG 32 -7.096 14.915 8.813 298 1HH2 ARG 32 2HH1 ARG 32 -3.918 15.810 10.039 299 2HH2 ARG 32 1HH1 ARG 32 -5.614 15.758 10.387 300 H GLN 33 H GLN 33 -7.853 9.969 6.274 301 HA GLN 33 HA GLN 33 -8.887 10.025 8.901 302 1HB GLN 33 1HB GLN 33 -9.902 9.867 6.182 303 2HB GLN 33 2HB GLN 33 -10.703 8.664 7.172 304 1HG GLN 33 1HG GLN 33 -10.929 10.651 8.922 305 2HG GLN 33 2HG GLN 33 -10.651 11.672 7.526 306 1HE2 GLN 33 1HE2 GLN 33 -12.440 8.660 8.201 307 2HE2 GLN 33 2HE2 GLN 33 -13.953 9.145 7.512 308 H ILE 34 H ILE 34 -7.452 7.592 6.791 309 HA ILE 34 HA ILE 34 -8.599 5.352 8.121 310 HB ILE 34 HB ILE 34 -6.189 5.581 6.314 311 1HG1 ILE 34 1HG1 ILE 34 -9.004 4.739 5.587 312 2HG1 ILE 34 2HG1 ILE 34 -8.414 6.377 5.392 313 1HG2 ILE 34 1HG2 ILE 34 -7.792 3.143 7.135 314 2HG2 ILE 34 2HG2 ILE 34 -6.465 3.181 5.949 315 3HG2 ILE 34 3HG2 ILE 34 -6.138 3.540 7.662 316 1HD1 ILE 34 1HD1 ILE 34 -6.370 5.011 4.192 317 2HD1 ILE 34 2HD1 ILE 34 -7.732 3.917 3.848 318 3HD1 ILE 34 3HD1 ILE 34 -7.797 5.614 3.315 319 H LYS 35 H LYS 35 -7.614 3.934 9.643 320 HA LYS 35 HA LYS 35 -5.097 4.792 10.793 321 1HB LYS 35 1HB LYS 35 -5.869 5.225 12.953 322 2HB LYS 35 2HB LYS 35 -7.007 6.071 11.924 323 1HG LYS 35 1HG LYS 35 -8.737 4.529 12.317 324 2HG LYS 35 2HG LYS 35 -7.633 3.215 12.674 325 1HD LYS 35 1HD LYS 35 -7.044 4.235 14.843 326 2HD LYS 35 2HD LYS 35 -8.011 5.651 14.479 327 1HE LYS 35 1HE LYS 35 -10.021 4.013 14.237 328 2HE LYS 35 2HE LYS 35 -8.991 2.812 14.989 329 1HZ LYS 35 1HZ LYS 35 -9.010 5.308 16.364 330 2HZ LYS 35 2HZ LYS 35 -10.479 4.598 16.306 331 3HZ LYS 35 3HZ LYS 35 -9.210 3.796 16.949 332 HA PRO 36 HA PRO 36 -4.715 0.542 11.435 333 1HB PRO 36 1HB PRO 36 -3.159 0.349 13.673 334 2HB PRO 36 2HB PRO 36 -2.514 0.725 12.088 335 1HG PRO 36 1HG PRO 36 -2.952 2.532 14.386 336 2HG PRO 36 2HG PRO 36 -1.941 2.775 12.976 337 1HD PRO 36 1HD PRO 36 -4.509 3.953 13.470 338 2HD PRO 36 2HD PRO 36 -3.550 4.103 12.011 339 H GLY 37 H GLY 37 -6.734 -0.323 11.668 340 1HA GLY 37 1HA GLY 37 -7.351 -1.704 13.910 341 2HA GLY 37 2HA GLY 37 -8.010 -0.116 14.248 342 H ASP 38 H ASP 38 -8.602 0.560 11.416 343 HA ASP 38 HA ASP 38 -11.136 -0.668 11.328 344 1HB ASP 38 1HB ASP 38 -9.711 1.043 9.236 345 2HB ASP 38 2HB ASP 38 -11.427 0.687 9.251 346 H VAL 39 H VAL 39 -11.682 -1.153 8.629 347 HA VAL 39 HA VAL 39 -9.626 -3.025 7.724 348 HB VAL 39 HB VAL 39 -12.566 -3.653 8.060 349 1HG1 VAL 39 1HG1 VAL 39 -11.558 -4.631 6.006 350 2HG1 VAL 39 2HG1 VAL 39 -10.334 -5.431 7.021 351 3HG1 VAL 39 3HG1 VAL 39 -12.053 -5.860 7.194 352 1HG2 VAL 39 1HG2 VAL 39 -10.937 -5.551 9.380 353 2HG2 VAL 39 2HG2 VAL 39 -10.314 -3.948 9.838 354 3HG2 VAL 39 3HG2 VAL 39 -12.027 -4.348 10.109 355 H ILE 40 H ILE 40 -9.824 -3.546 5.403 356 HA ILE 40 HA ILE 40 -11.430 -1.543 3.980 357 HB ILE 40 HB ILE 40 -8.633 -2.415 3.255 358 1HG1 ILE 40 1HG1 ILE 40 -9.118 0.383 4.077 359 2HG1 ILE 40 2HG1 ILE 40 -9.248 -0.794 5.369 360 1HG2 ILE 40 1HG2 ILE 40 -8.721 -0.671 1.589 361 2HG2 ILE 40 2HG2 ILE 40 -10.098 -1.776 1.360 362 3HG2 ILE 40 3HG2 ILE 40 -10.348 -0.188 2.124 363 1HD1 ILE 40 1HD1 ILE 40 -6.934 -1.325 3.623 364 2HD1 ILE 40 2HD1 ILE 40 -6.871 0.285 4.379 365 3HD1 ILE 40 3HD1 ILE 40 -7.005 -1.170 5.395 366 H SER 41 H SER 41 -12.999 -2.588 2.887 367 HA SER 41 HA SER 41 -12.499 -5.327 2.142 368 1HB SER 41 1HB SER 41 -14.883 -5.479 1.760 369 2HB SER 41 2HB SER 41 -14.641 -4.626 3.271 370 HG SER 41 HG SER 41 -15.813 -3.054 2.432 371 H PHE 42 H PHE 42 -11.779 -5.848 0.111 372 HA PHE 42 HA PHE 42 -12.032 -3.791 -1.948 373 1HB PHE 42 1HB PHE 42 -10.322 -6.304 -1.508 374 2HB PHE 42 2HB PHE 42 -10.300 -5.442 -3.033 375 HD1 PHE 42 HD1 PHE 42 -10.484 -2.626 -1.883 376 HD2 PHE 42 HD2 PHE 42 -8.081 -5.966 -0.846 377 HE1 PHE 42 HE1 PHE 42 -8.723 -1.079 -0.984 378 HE2 PHE 42 HE2 PHE 42 -6.320 -4.420 0.053 379 HZ PHE 42 HZ PHE 42 -6.662 -1.995 -0.027 380 H GLU 43 H GLU 43 -12.846 -4.287 -4.052 381 HA GLU 43 HA GLU 43 -14.410 -5.114 -5.337 382 1HB GLU 43 1HB GLU 43 -12.984 -7.719 -4.642 383 2HB GLU 43 2HB GLU 43 -14.064 -7.515 -6.006 384 1HG GLU 43 1HG GLU 43 -12.480 -5.475 -6.615 385 2HG GLU 43 2HG GLU 43 -11.336 -6.275 -5.555 386 H GLY 44 H GLY 44 -15.230 -4.805 -2.548 387 1HA GLY 44 1HA GLY 44 -17.348 -5.159 -1.670 388 2HA GLY 44 2HA GLY 44 -17.504 -6.644 -2.586 389 H GLY 45 H GLY 45 -15.590 -8.335 -1.980 390 1HA GLY 45 1HA GLY 45 -14.730 -8.264 0.753 391 2HA GLY 45 2HA GLY 45 -16.099 -9.330 0.515 392 H LYS 46 H LYS 46 -13.803 -8.729 -2.133 393 HA LYS 46 HA LYS 46 -13.218 -11.525 -2.251 394 1HB LYS 46 1HB LYS 46 -13.538 -9.742 -4.164 395 2HB LYS 46 2HB LYS 46 -11.829 -9.447 -3.915 396 1HG LYS 46 1HG LYS 46 -12.654 -12.325 -4.095 397 2HG LYS 46 2HG LYS 46 -12.789 -11.393 -5.573 398 1HD LYS 46 1HD LYS 46 -10.321 -10.571 -4.844 399 2HD LYS 46 2HD LYS 46 -10.325 -12.102 -3.990 400 1HE LYS 46 1HE LYS 46 -11.024 -11.838 -6.952 401 2HE LYS 46 2HE LYS 46 -9.408 -12.192 -6.375 402 1HZ LYS 46 1HZ LYS 46 -10.178 -14.271 -6.564 403 2HZ LYS 46 2HZ LYS 46 -10.770 -14.009 -5.064 404 3HZ LYS 46 3HZ LYS 46 -11.748 -13.869 -6.364 405 H LEU 47 H LEU 47 -11.601 -8.530 -1.153 406 HA LEU 47 HA LEU 47 -9.632 -10.208 0.165 407 1HB LEU 47 1HB LEU 47 -8.955 -9.210 -2.236 408 2HB LEU 47 2HB LEU 47 -8.537 -7.834 -1.235 409 HG LEU 47 HG LEU 47 -6.657 -9.416 -1.717 410 1HD1 LEU 47 1HD1 LEU 47 -5.721 -9.349 0.525 411 2HD1 LEU 47 2HD1 LEU 47 -6.602 -7.843 0.173 412 3HD1 LEU 47 3HD1 LEU 47 -7.339 -9.081 1.217 413 1HD2 LEU 47 1HD2 LEU 47 -6.775 -11.601 -1.332 414 2HD2 LEU 47 2HD2 LEU 47 -7.328 -11.346 0.341 415 3HD2 LEU 47 3HD2 LEU 47 -8.508 -11.377 -0.991 416 H LYS 48 H LYS 48 -9.850 -9.672 2.266 417 HA LYS 48 HA LYS 48 -10.496 -6.870 2.851 418 1HB LYS 48 1HB LYS 48 -10.918 -9.241 4.681 419 2HB LYS 48 2HB LYS 48 -11.565 -7.621 4.847 420 1HG LYS 48 1HG LYS 48 -12.191 -9.257 2.368 421 2HG LYS 48 2HG LYS 48 -13.089 -9.532 3.847 422 1HD LYS 48 1HD LYS 48 -13.138 -6.758 3.666 423 2HD LYS 48 2HD LYS 48 -13.191 -7.225 1.978 424 1HE LYS 48 1HE LYS 48 -15.478 -7.190 2.599 425 2HE LYS 48 2HE LYS 48 -15.071 -8.893 2.677 426 1HZ LYS 48 1HZ LYS 48 -14.503 -8.301 5.107 427 2HZ LYS 48 2HZ LYS 48 -15.493 -7.026 4.862 428 3HZ LYS 48 3HZ LYS 48 -16.059 -8.546 4.677 429 H VAL 49 H VAL 49 -9.144 -5.655 4.139 430 HA VAL 49 HA VAL 49 -6.898 -7.067 5.372 431 HB VAL 49 HB VAL 49 -5.334 -5.446 4.514 432 1HG1 VAL 49 1HG1 VAL 49 -6.719 -7.373 2.924 433 2HG1 VAL 49 2HG1 VAL 49 -6.309 -5.988 1.884 434 3HG1 VAL 49 3HG1 VAL 49 -5.030 -6.828 2.793 435 1HG2 VAL 49 1HG2 VAL 49 -6.949 -3.540 4.371 436 2HG2 VAL 49 2HG2 VAL 49 -5.909 -3.716 2.937 437 3HG2 VAL 49 3HG2 VAL 49 -7.602 -4.263 2.881 438 H ARG 50 H ARG 50 -5.965 -5.920 7.195 439 HA ARG 50 HA ARG 50 -7.682 -3.753 8.100 440 1HB ARG 50 1HB ARG 50 -8.363 -5.561 9.490 441 2HB ARG 50 2HB ARG 50 -6.748 -6.235 9.575 442 1HG ARG 50 1HG ARG 50 -5.992 -4.346 10.986 443 2HG ARG 50 2HG ARG 50 -7.556 -3.570 10.831 444 1HD ARG 50 1HD ARG 50 -7.079 -6.304 12.117 445 2HD ARG 50 2HD ARG 50 -7.324 -4.809 12.998 446 HE ARG 50 HE ARG 50 -9.499 -5.157 11.162 447 1HH1 ARG 50 2HH2 ARG 50 -8.220 -6.530 14.139 448 2HH1 ARG 50 1HH2 ARG 50 -9.764 -7.075 14.702 449 1HH2 ARG 50 2HH1 ARG 50 -11.537 -5.876 11.905 450 2HH2 ARG 50 1HH1 ARG 50 -11.664 -6.700 13.422 451 H VAL 51 H VAL 51 -6.507 -1.904 8.521 452 HA VAL 51 HA VAL 51 -3.773 -1.771 8.180 453 HB VAL 51 HB VAL 51 -5.619 0.050 9.739 454 1HG1 VAL 51 1HG1 VAL 51 -3.267 1.169 8.330 455 2HG1 VAL 51 2HG1 VAL 51 -3.968 1.586 9.912 456 3HG1 VAL 51 3HG1 VAL 51 -2.900 0.171 9.757 457 1HG2 VAL 51 1HG2 VAL 51 -5.677 -0.629 7.022 458 2HG2 VAL 51 2HG2 VAL 51 -6.469 0.762 7.799 459 3HG2 VAL 51 3HG2 VAL 51 -4.851 0.946 7.082 460 H LYS 52 H LYS 52 -1.981 -1.865 9.536 461 HA LYS 52 HA LYS 52 -2.569 -2.901 12.216 462 1HB LYS 52 1HB LYS 52 -0.663 -3.644 10.120 463 2HB LYS 52 2HB LYS 52 0.106 -3.414 11.678 464 1HG LYS 52 1HG LYS 52 -2.411 -4.858 12.014 465 2HG LYS 52 2HG LYS 52 -1.416 -5.663 10.817 466 1HD LYS 52 1HD LYS 52 -0.296 -6.599 12.561 467 2HD LYS 52 2HD LYS 52 0.439 -5.028 12.806 468 1HE LYS 52 1HE LYS 52 -0.475 -5.485 14.931 469 2HE LYS 52 2HE LYS 52 -1.708 -4.470 14.211 470 1HZ LYS 52 1HZ LYS 52 -3.127 -6.152 14.191 471 2HZ LYS 52 2HZ LYS 52 -2.047 -7.228 13.606 472 3HZ LYS 52 3HZ LYS 52 -2.110 -6.925 15.209 473 H ALA 53 H ALA 53 -0.608 -0.560 10.308 474 HA ALA 53 HA ALA 53 -0.647 1.288 12.451 475 1HB ALA 53 1HB ALA 53 1.488 1.141 13.312 476 2HB ALA 53 2HB ALA 53 1.205 -0.578 12.949 477 3HB ALA 53 3HB ALA 53 2.156 0.424 11.826 478 H ILE 54 H ILE 54 0.533 3.328 11.813 479 HA ILE 54 HA ILE 54 0.784 3.439 8.887 480 HB ILE 54 HB ILE 54 -1.262 4.508 9.888 481 1HG1 ILE 54 1HG1 ILE 54 0.219 6.724 8.602 482 2HG1 ILE 54 2HG1 ILE 54 0.264 5.200 7.737 483 1HG2 ILE 54 1HG2 ILE 54 -1.000 6.692 10.968 484 2HG2 ILE 54 2HG2 ILE 54 -0.264 5.389 11.932 485 3HG2 ILE 54 3HG2 ILE 54 0.767 6.479 10.975 486 1HD1 ILE 54 1HD1 ILE 54 -1.727 6.013 6.890 487 2HD1 ILE 54 2HD1 ILE 54 -2.373 5.220 8.347 488 3HD1 ILE 54 3HD1 ILE 54 -2.075 6.975 8.347 489 H ARG 55 H ARG 55 2.424 4.856 8.034 490 HA ARG 55 HA ARG 55 4.258 5.882 10.012 491 1HB ARG 55 1HB ARG 55 4.947 3.853 7.845 492 2HB ARG 55 2HB ARG 55 6.175 4.909 8.514 493 1HG ARG 55 1HG ARG 55 4.767 3.855 10.758 494 2HG ARG 55 2HG ARG 55 4.999 2.501 9.670 495 1HD ARG 55 1HD ARG 55 7.377 4.289 10.059 496 2HD ARG 55 2HD ARG 55 6.898 3.337 11.451 497 HE ARG 55 HE ARG 55 6.907 1.630 9.153 498 1HH1 ARG 55 2HH2 ARG 55 9.155 3.373 11.225 499 2HH1 ARG 55 1HH2 ARG 55 10.463 2.273 10.947 500 1HH2 ARG 55 2HH1 ARG 55 8.633 0.178 8.786 501 2HH2 ARG 55 1HH1 ARG 55 10.165 0.443 9.550 502 H VAL 56 H VAL 56 6.004 7.309 8.877 503 HA VAL 56 HA VAL 56 5.023 8.336 6.321 504 HB VAL 56 HB VAL 56 5.916 10.252 8.431 505 1HG1 VAL 56 1HG1 VAL 56 5.448 11.643 6.746 506 2HG1 VAL 56 2HG1 VAL 56 4.700 10.337 5.795 507 3HG1 VAL 56 3HG1 VAL 56 3.729 11.243 6.981 508 1HG2 VAL 56 1HG2 VAL 56 3.282 8.799 8.384 509 2HG2 VAL 56 2HG2 VAL 56 4.309 9.245 9.768 510 3HG2 VAL 56 3HG2 VAL 56 3.357 10.493 8.927 511 H TYR 57 H TYR 57 6.656 9.008 4.918 512 HA TYR 57 HA TYR 57 9.382 8.909 6.004 513 1HB TYR 57 1HB TYR 57 8.051 7.568 3.585 514 2HB TYR 57 2HB TYR 57 9.783 7.831 3.598 515 HD1 TYR 57 HD1 TYR 57 11.248 6.411 4.848 516 HD2 TYR 57 HD2 TYR 57 7.010 6.058 5.313 517 HE1 TYR 57 HE1 TYR 57 11.562 4.235 6.126 518 HE2 TYR 57 HE2 TYR 57 7.338 3.883 6.589 519 HH TYR 57 HH TYR 57 8.865 2.202 6.912 520 H ASN 58 H ASN 58 10.936 9.661 4.026 521 HA ASN 58 HA ASN 58 10.118 12.319 3.564 522 1HB ASN 58 1HB ASN 58 12.559 10.674 3.240 523 2HB ASN 58 2HB ASN 58 12.370 11.829 1.936 524 1HD2 ASN 58 1HD2 ASN 58 12.335 11.481 5.458 525 2HD2 ASN 58 2HD2 ASN 58 12.926 13.061 5.851 526 H SER 59 H SER 59 10.696 9.343 1.570 527 HA SER 59 HA SER 59 8.790 10.256 -0.331 528 1HB SER 59 1HB SER 59 11.247 11.210 -0.874 529 2HB SER 59 2HB SER 59 11.461 9.612 -1.561 530 HG SER 59 HG SER 59 9.882 11.761 -2.457 531 H PHE 60 H PHE 60 8.958 8.495 -2.343 532 HA PHE 60 HA PHE 60 8.342 6.049 -1.170 533 1HB PHE 60 1HB PHE 60 9.275 6.747 -4.020 534 2HB PHE 60 2HB PHE 60 8.345 5.324 -3.593 535 HD1 PHE 60 HD1 PHE 60 8.216 8.856 -4.351 536 HD2 PHE 60 HD2 PHE 60 5.979 5.578 -2.847 537 HE1 PHE 60 HE1 PHE 60 6.089 10.129 -4.740 538 HE2 PHE 60 HE2 PHE 60 3.852 6.852 -3.236 539 HZ PHE 60 HZ PHE 60 3.932 9.112 -4.178 540 H ARG 61 H ARG 61 11.367 7.326 -2.626 541 HA ARG 61 HA ARG 61 12.695 4.967 -2.913 542 1HB ARG 61 1HB ARG 61 13.300 7.665 -3.201 543 2HB ARG 61 2HB ARG 61 14.350 7.217 -1.871 544 1HG ARG 61 1HG ARG 61 14.289 5.301 -4.172 545 2HG ARG 61 2HG ARG 61 15.004 6.866 -4.509 546 1HD ARG 61 1HD ARG 61 15.814 5.072 -2.169 547 2HD ARG 61 2HD ARG 61 16.677 5.159 -3.692 548 HE ARG 61 HE ARG 61 16.333 7.805 -2.567 549 1HH1 ARG 61 2HH2 ARG 61 18.240 4.866 -2.242 550 2HH1 ARG 61 1HH2 ARG 61 19.608 5.677 -1.556 551 1HH2 ARG 61 2HH1 ARG 61 18.138 8.876 -1.662 552 2HH2 ARG 61 1HH1 ARG 61 19.550 7.973 -1.224 553 H GLU 62 H GLU 62 12.789 7.265 -0.085 554 HA GLU 62 HA GLU 62 14.414 5.759 1.505 555 1HB GLU 62 1HB GLU 62 12.412 7.926 1.911 556 2HB GLU 62 2HB GLU 62 12.766 6.978 3.342 557 1HG GLU 62 1HG GLU 62 15.303 7.336 2.569 558 2HG GLU 62 2HG GLU 62 14.630 8.699 1.698 559 H MET 63 H MET 63 10.954 5.399 0.770 560 HA MET 63 HA MET 63 10.462 3.642 2.932 561 1HB MET 63 1HB MET 63 9.024 4.749 0.552 562 2HB MET 63 2HB MET 63 8.472 3.159 1.039 563 1HG MET 63 1HG MET 63 8.238 4.054 3.422 564 2HG MET 63 2HG MET 63 8.607 5.651 2.803 565 1HE MET 63 1HE MET 63 6.458 3.176 0.393 566 2HE MET 63 2HE MET 63 6.661 2.516 2.034 567 3HE MET 63 3HE MET 63 5.057 3.060 1.485 568 H LEU 64 H LEU 64 11.196 3.282 -0.583 569 HA LEU 64 HA LEU 64 10.902 0.451 -0.525 570 1HB LEU 64 1HB LEU 64 12.266 2.225 -2.554 571 2HB LEU 64 2HB LEU 64 11.797 0.552 -2.783 572 HG LEU 64 HG LEU 64 9.742 2.653 -2.112 573 1HD1 LEU 64 1HD1 LEU 64 9.768 3.590 -4.132 574 2HD1 LEU 64 2HD1 LEU 64 11.367 2.840 -4.351 575 3HD1 LEU 64 3HD1 LEU 64 9.908 2.016 -4.951 576 1HD2 LEU 64 1HD2 LEU 64 8.164 1.138 -2.946 577 2HD2 LEU 64 2HD2 LEU 64 9.397 0.168 -3.786 578 3HD2 LEU 64 3HD2 LEU 64 9.294 0.132 -2.009 579 H GLU 65 H GLU 65 13.520 2.795 0.041 580 HA GLU 65 HA GLU 65 15.540 0.815 -0.107 581 1HB GLU 65 1HB GLU 65 15.427 3.637 -0.044 582 2HB GLU 65 2HB GLU 65 16.259 3.200 1.435 583 1HG GLU 65 1HG GLU 65 17.206 1.583 -0.828 584 2HG GLU 65 2HG GLU 65 17.368 3.296 -1.165 585 H LYS 66 H LYS 66 13.736 2.515 2.523 586 HA LYS 66 HA LYS 66 15.145 1.042 4.550 587 1HB LYS 66 1HB LYS 66 14.112 3.479 4.583 588 2HB LYS 66 2HB LYS 66 12.658 2.634 5.075 589 1HG LYS 66 1HG LYS 66 13.525 2.750 7.183 590 2HG LYS 66 2HG LYS 66 14.541 1.411 6.687 591 1HD LYS 66 1HD LYS 66 16.075 3.015 7.546 592 2HD LYS 66 2HD LYS 66 16.210 3.183 5.807 593 1HE LYS 66 1HE LYS 66 14.591 5.107 5.882 594 2HE LYS 66 2HE LYS 66 14.501 4.950 7.625 595 1HZ LYS 66 1HZ LYS 66 16.103 6.606 6.904 596 2HZ LYS 66 2HZ LYS 66 16.827 5.420 7.761 597 3HZ LYS 66 3HZ LYS 66 16.982 5.464 6.136 598 H GLU 67 H GLU 67 11.633 1.309 3.631 599 HA GLU 67 HA GLU 67 10.925 -0.955 5.048 600 1HB GLU 67 1HB GLU 67 9.585 1.035 3.700 601 2HB GLU 67 2HB GLU 67 9.310 -0.322 2.627 602 1HG GLU 67 1HG GLU 67 7.508 -0.208 4.300 603 2HG GLU 67 2HG GLU 67 8.440 -1.674 4.534 604 H GLY 68 H GLY 68 11.610 -0.492 1.513 605 1HA GLY 68 1HA GLY 68 13.054 -2.350 0.642 606 2HA GLY 68 2HA GLY 68 11.828 -3.431 1.273 607 H LEU 69 H LEU 69 12.901 -2.182 -1.549 608 HA LEU 69 HA LEU 69 10.686 -1.073 -2.790 609 1HB LEU 69 1HB LEU 69 12.745 -0.827 -3.838 610 2HB LEU 69 2HB LEU 69 13.126 -2.535 -3.735 611 HG LEU 69 HG LEU 69 11.251 -2.946 -5.399 612 1HD1 LEU 69 1HD1 LEU 69 10.959 -0.076 -5.053 613 2HD1 LEU 69 2HD1 LEU 69 11.189 -0.518 -6.761 614 3HD1 LEU 69 3HD1 LEU 69 9.870 -1.255 -5.821 615 1HD2 LEU 69 1HD2 LEU 69 13.269 -3.238 -6.401 616 2HD2 LEU 69 2HD2 LEU 69 12.726 -1.803 -7.304 617 3HD2 LEU 69 3HD2 LEU 69 13.862 -1.622 -5.946 618 H GLU 70 H GLU 70 11.849 -4.518 -2.933 619 HA GLU 70 HA GLU 70 9.501 -5.364 -4.195 620 1HB GLU 70 1HB GLU 70 11.975 -6.579 -3.126 621 2HB GLU 70 2HB GLU 70 10.583 -7.637 -2.997 622 1HG GLU 70 1HG GLU 70 10.097 -7.317 -5.421 623 2HG GLU 70 2HG GLU 70 11.459 -6.223 -5.561 624 H ASN 71 H ASN 71 10.223 -4.507 -0.929 625 HA ASN 71 HA ASN 71 8.255 -6.279 0.172 626 1HB ASN 71 1HB ASN 71 9.835 -3.989 1.458 627 2HB ASN 71 2HB ASN 71 8.854 -5.146 2.335 628 1HD2 ASN 71 1HD2 ASN 71 10.884 -5.514 3.465 629 2HD2 ASN 71 2HD2 ASN 71 12.023 -6.662 2.843 630 H VAL 72 H VAL 72 7.915 -3.774 -1.807 631 HA VAL 72 HA VAL 72 5.599 -2.716 -0.374 632 HB VAL 72 HB VAL 72 7.755 -1.091 -1.735 633 1HG1 VAL 72 1HG1 VAL 72 5.244 -0.440 -2.101 634 2HG1 VAL 72 2HG1 VAL 72 5.339 0.119 -0.414 635 3HG1 VAL 72 3HG1 VAL 72 6.428 0.808 -1.643 636 1HG2 VAL 72 1HG2 VAL 72 7.494 -1.947 0.929 637 2HG2 VAL 72 2HG2 VAL 72 8.582 -0.687 0.299 638 3HG2 VAL 72 3HG2 VAL 72 6.977 -0.243 0.926 639 H LEU 73 H LEU 73 7.431 -2.561 -3.515 640 HA LEU 73 HA LEU 73 4.841 -2.946 -4.845 641 1HB LEU 73 1HB LEU 73 6.293 -0.800 -5.143 642 2HB LEU 73 2HB LEU 73 7.274 -1.815 -6.181 643 HG LEU 73 HG LEU 73 4.718 -2.296 -7.122 644 1HD1 LEU 73 1HD1 LEU 73 3.414 -0.419 -7.142 645 2HD1 LEU 73 2HD1 LEU 73 4.173 -0.248 -5.541 646 3HD1 LEU 73 3HD1 LEU 73 4.793 0.685 -6.924 647 1HD2 LEU 73 1HD2 LEU 73 7.069 -0.697 -7.992 648 2HD2 LEU 73 2HD2 LEU 73 6.252 -2.069 -8.777 649 3HD2 LEU 73 3HD2 LEU 73 5.540 -0.440 -8.865 650 HA PRO 74 HA PRO 74 6.851 -6.803 -5.660 651 1HB PRO 74 1HB PRO 74 4.569 -8.273 -5.970 652 2HB PRO 74 2HB PRO 74 5.365 -8.054 -4.425 653 1HG PRO 74 1HG PRO 74 2.886 -6.794 -5.427 654 2HG PRO 74 2HG PRO 74 3.461 -6.925 -3.777 655 1HD PRO 74 1HD PRO 74 3.552 -4.594 -5.445 656 2HD PRO 74 2HD PRO 74 4.230 -4.760 -3.838 657 H GLY 75 H GLY 75 7.889 -6.940 -7.540 658 1HA GLY 75 1HA GLY 75 7.554 -7.829 -9.779 659 2HA GLY 75 2HA GLY 75 6.135 -6.811 -9.921 660 H VAL 76 H VAL 76 7.586 -4.581 -8.356 661 HA VAL 76 HA VAL 76 8.275 -2.937 -10.341 662 HB VAL 76 HB VAL 76 8.118 -2.390 -7.946 663 1HG1 VAL 76 1HG1 VAL 76 10.959 -2.942 -7.379 664 2HG1 VAL 76 2HG1 VAL 76 9.519 -3.148 -6.353 665 3HG1 VAL 76 3HG1 VAL 76 9.946 -4.395 -7.549 666 1HG2 VAL 76 1HG2 VAL 76 9.623 -0.561 -7.992 667 2HG2 VAL 76 2HG2 VAL 76 10.784 -1.437 -9.019 668 3HG2 VAL 76 3HG2 VAL 76 9.228 -0.898 -9.695 669 H LYS 77 H LYS 77 10.163 -2.334 -11.516 670 HA LYS 77 HA LYS 77 11.910 -4.585 -11.993 671 1HB LYS 77 1HB LYS 77 11.283 -2.005 -13.393 672 2HB LYS 77 2HB LYS 77 12.784 -2.831 -13.758 673 1HG LYS 77 1HG LYS 77 11.047 -4.953 -13.847 674 2HG LYS 77 2HG LYS 77 9.968 -3.662 -14.336 675 1HD LYS 77 1HD LYS 77 10.959 -3.464 -16.380 676 2HD LYS 77 2HD LYS 77 12.569 -3.441 -15.688 677 1HE LYS 77 1HE LYS 77 11.404 -6.114 -15.445 678 2HE LYS 77 2HE LYS 77 11.342 -5.575 -17.112 679 1HZ LYS 77 1HZ LYS 77 13.706 -5.010 -16.899 680 2HZ LYS 77 2HZ LYS 77 13.729 -5.664 -15.403 681 3HZ LYS 77 3HZ LYS 77 13.418 -6.605 -16.701 682 H SER 78 H SER 78 12.005 -1.264 -10.637 683 HA SER 78 HA SER 78 14.325 -1.971 -9.181 684 1HB SER 78 1HB SER 78 14.531 -0.097 -11.547 685 2HB SER 78 2HB SER 78 15.547 0.177 -10.145 686 HG SER 78 HG SER 78 15.393 -2.319 -11.612 687 H ILE 79 H ILE 79 15.043 0.011 -7.781 688 HA ILE 79 HA ILE 79 12.828 1.010 -6.464 689 HB ILE 79 HB ILE 79 15.672 2.025 -6.518 690 1HG1 ILE 79 1HG1 ILE 79 14.283 -0.048 -4.800 691 2HG1 ILE 79 2HG1 ILE 79 15.608 -0.309 -5.917 692 1HG2 ILE 79 1HG2 ILE 79 13.603 2.444 -4.351 693 2HG2 ILE 79 2HG2 ILE 79 15.233 3.150 -4.471 694 3HG2 ILE 79 3HG2 ILE 79 13.964 3.641 -5.618 695 1HD1 ILE 79 1HD1 ILE 79 15.646 0.823 -3.163 696 2HD1 ILE 79 2HD1 ILE 79 16.903 -0.083 -4.039 697 3HD1 ILE 79 3HD1 ILE 79 16.691 1.659 -4.337 698 H GLU 80 H GLU 80 14.892 2.477 -9.035 699 HA GLU 80 HA GLU 80 13.675 4.962 -8.953 700 1HB GLU 80 1HB GLU 80 15.590 3.541 -10.623 701 2HB GLU 80 2HB GLU 80 14.503 4.474 -11.632 702 1HG GLU 80 1HG GLU 80 15.297 6.039 -9.293 703 2HG GLU 80 2HG GLU 80 16.716 5.444 -10.131 704 H GLU 81 H GLU 81 13.011 2.029 -10.974 705 HA GLU 81 HA GLU 81 10.994 3.199 -12.466 706 1HB GLU 81 1HB GLU 81 11.898 0.407 -11.855 707 2HB GLU 81 2HB GLU 81 10.283 0.578 -12.514 708 1HG GLU 81 1HG GLU 81 11.115 1.739 -14.484 709 2HG GLU 81 2HG GLU 81 12.713 1.911 -13.786 710 H GLY 82 H GLY 82 11.046 1.714 -9.228 711 1HA GLY 82 1HA GLY 82 8.306 1.254 -8.890 712 2HA GLY 82 2HA GLY 82 9.483 1.537 -7.624 713 H ILE 83 H ILE 83 10.361 4.138 -8.059 714 HA ILE 83 HA ILE 83 8.307 5.635 -6.943 715 HB ILE 83 HB ILE 83 10.975 6.242 -8.150 716 1HG1 ILE 83 1HG1 ILE 83 10.588 7.268 -5.520 717 2HG1 ILE 83 2HG1 ILE 83 9.926 5.645 -5.548 718 1HG2 ILE 83 1HG2 ILE 83 10.474 8.638 -7.167 719 2HG2 ILE 83 2HG2 ILE 83 10.046 8.216 -8.842 720 3HG2 ILE 83 3HG2 ILE 83 8.796 8.208 -7.575 721 1HD1 ILE 83 1HD1 ILE 83 12.062 4.909 -5.315 722 2HD1 ILE 83 2HD1 ILE 83 12.307 5.391 -7.011 723 3HD1 ILE 83 3HD1 ILE 83 12.728 6.515 -5.697 724 H GLN 84 H GLN 84 9.302 5.100 -10.334 725 HA GLN 84 HA GLN 84 7.878 7.191 -11.437 726 1HB GLN 84 1HB GLN 84 9.053 4.619 -12.393 727 2HB GLN 84 2HB GLN 84 7.799 5.294 -13.414 728 1HG GLN 84 1HG GLN 84 10.325 6.737 -12.482 729 2HG GLN 84 2HG GLN 84 10.017 6.141 -14.101 730 1HE2 GLN 84 1HE2 GLN 84 10.405 8.859 -12.733 731 2HE2 GLN 84 2HE2 GLN 84 9.155 9.865 -13.386 732 H VAL 85 H VAL 85 6.893 3.924 -10.370 733 HA VAL 85 HA VAL 85 4.387 3.914 -11.644 734 HB VAL 85 HB VAL 85 5.834 2.374 -9.585 735 1HG1 VAL 85 1HG1 VAL 85 3.965 2.588 -8.206 736 2HG1 VAL 85 2HG1 VAL 85 2.830 2.624 -9.577 737 3HG1 VAL 85 3HG1 VAL 85 3.618 1.097 -9.114 738 1HG2 VAL 85 1HG2 VAL 85 5.649 1.840 -12.058 739 2HG2 VAL 85 2HG2 VAL 85 5.234 0.514 -10.945 740 3HG2 VAL 85 3HG2 VAL 85 3.943 1.432 -11.757 741 H TYR 86 H TYR 86 5.550 5.062 -8.432 742 HA TYR 86 HA TYR 86 2.940 5.725 -7.519 743 1HB TYR 86 1HB TYR 86 5.761 6.718 -6.769 744 2HB TYR 86 2HB TYR 86 4.350 6.857 -5.739 745 HD1 TYR 86 HD1 TYR 86 7.147 5.425 -5.325 746 HD2 TYR 86 HD2 TYR 86 3.212 4.054 -6.295 747 HE1 TYR 86 HE1 TYR 86 7.673 3.162 -4.293 748 HE2 TYR 86 HE2 TYR 86 3.752 1.795 -5.259 749 HH TYR 86 HH TYR 86 5.249 0.878 -3.625 750 H ARG 87 H ARG 87 5.368 7.299 -9.541 751 HA ARG 87 HA ARG 87 4.433 9.906 -9.043 752 1HB ARG 87 1HB ARG 87 6.710 9.573 -9.863 753 2HB ARG 87 2HB ARG 87 6.140 8.693 -11.267 754 1HG ARG 87 1HG ARG 87 6.649 10.909 -12.045 755 2HG ARG 87 2HG ARG 87 4.900 10.814 -11.984 756 1HD ARG 87 1HD ARG 87 5.108 12.793 -10.821 757 2HD ARG 87 2HD ARG 87 5.358 11.723 -9.455 758 HE ARG 87 HE ARG 87 7.527 12.553 -9.328 759 1HH1 ARG 87 2HH2 ARG 87 6.464 12.761 -12.676 760 2HH1 ARG 87 1HH2 ARG 87 7.933 13.492 -13.231 761 1HH2 ARG 87 2HH1 ARG 87 9.466 13.517 -10.059 762 2HH2 ARG 87 1HH1 ARG 87 9.652 13.925 -11.732 763 H ARG 88 H ARG 88 3.787 7.329 -11.463 764 HA ARG 88 HA ARG 88 2.344 8.920 -13.216 765 1HB ARG 88 1HB ARG 88 2.339 5.924 -12.640 766 2HB ARG 88 2HB ARG 88 1.331 6.613 -13.897 767 1HG ARG 88 1HG ARG 88 3.384 7.625 -14.954 768 2HG ARG 88 2HG ARG 88 4.372 6.864 -13.722 769 1HD ARG 88 1HD ARG 88 4.486 5.335 -15.534 770 2HD ARG 88 2HD ARG 88 3.284 4.617 -14.480 771 HE ARG 88 HE ARG 88 1.590 5.142 -16.046 772 1HH1 ARG 88 2HH2 ARG 88 4.631 6.652 -16.970 773 2HH1 ARG 88 1HH2 ARG 88 4.081 7.086 -18.554 774 1HH2 ARG 88 2HH1 ARG 88 0.864 5.715 -18.135 775 2HH2 ARG 88 1HH1 ARG 88 1.924 6.549 -19.221 776 H PHE 89 H PHE 89 1.394 6.860 -10.398 777 HA PHE 89 HA PHE 89 -1.386 7.450 -10.750 778 1HB PHE 89 1HB PHE 89 0.339 6.186 -8.538 779 2HB PHE 89 2HB PHE 89 -1.412 6.225 -8.465 780 HD1 PHE 89 HD1 PHE 89 0.840 3.919 -8.730 781 HD2 PHE 89 HD2 PHE 89 -2.105 5.597 -11.283 782 HE1 PHE 89 HE1 PHE 89 0.737 1.771 -10.023 783 HE2 PHE 89 HE2 PHE 89 -2.208 3.448 -12.576 784 HZ PHE 89 HZ PHE 89 -0.786 1.561 -11.931 785 H TYR 90 H TYR 90 1.126 8.228 -8.234 786 HA TYR 90 HA TYR 90 -0.647 10.313 -7.224 787 1HB TYR 90 1HB TYR 90 2.133 9.644 -6.190 788 2HB TYR 90 2HB TYR 90 0.705 10.052 -5.260 789 HD1 TYR 90 HD1 TYR 90 -1.146 7.986 -6.674 790 HD2 TYR 90 HD2 TYR 90 2.745 7.700 -4.918 791 HE1 TYR 90 HE1 TYR 90 -1.535 5.519 -6.197 792 HE2 TYR 90 HE2 TYR 90 2.343 5.234 -4.446 793 HH TYR 90 HH TYR 90 -0.752 3.715 -5.314 794 H ASP 91 H ASP 91 -0.109 12.513 -7.195 795 HA ASP 91 HA ASP 91 1.656 13.296 -9.249 796 1HB ASP 91 1HB ASP 91 0.586 15.185 -7.136 797 2HB ASP 91 2HB ASP 91 0.855 15.496 -8.840 798 H GLU 92 H GLU 92 3.605 14.677 -8.940 799 HA GLU 92 HA GLU 92 5.108 13.835 -6.695 800 1HB GLU 92 1HB GLU 92 6.960 14.990 -7.754 801 2HB GLU 92 2HB GLU 92 6.053 14.161 -9.003 802 1HG GLU 92 1HG GLU 92 4.740 16.541 -9.055 803 2HG GLU 92 2HG GLU 92 6.288 17.107 -8.460 804 H GLU 93 H GLU 93 3.115 16.610 -7.527 805 HA GLU 93 HA GLU 93 4.348 18.398 -5.733 806 1HB GLU 93 1HB GLU 93 2.455 18.578 -7.771 807 2HB GLU 93 2HB GLU 93 1.496 18.888 -6.338 808 1HG GLU 93 1HG GLU 93 2.339 20.985 -6.203 809 2HG GLU 93 2HG GLU 93 3.958 20.338 -6.029 810 H LYS 94 H LYS 94 1.241 16.505 -5.631 811 HA LYS 94 HA LYS 94 0.549 17.239 -3.045 812 1HB LYS 94 1HB LYS 94 -0.396 15.476 -5.096 813 2HB LYS 94 2HB LYS 94 -0.378 14.594 -3.583 814 1HG LYS 94 1HG LYS 94 -1.396 17.365 -3.304 815 2HG LYS 94 2HG LYS 94 -2.359 16.384 -4.391 816 1HD LYS 94 1HD LYS 94 -1.824 14.675 -2.203 817 2HD LYS 94 2HD LYS 94 -2.130 16.235 -1.466 818 1HE LYS 94 1HE LYS 94 -4.356 16.129 -1.938 819 2HE LYS 94 2HE LYS 94 -4.056 15.716 -3.615 820 1HZ LYS 94 1HZ LYS 94 -3.410 13.451 -2.478 821 2HZ LYS 94 2HZ LYS 94 -4.481 13.970 -1.360 822 3HZ LYS 94 3HZ LYS 94 -4.945 13.795 -2.916 823 H GLU 95 H GLU 95 2.553 14.505 -4.289 824 HA GLU 95 HA GLU 95 2.880 13.293 -1.820 825 1HB GLU 95 1HB GLU 95 3.397 12.362 -4.156 826 2HB GLU 95 2HB GLU 95 4.897 13.267 -4.101 827 1HG GLU 95 1HG GLU 95 4.352 11.621 -1.674 828 2HG GLU 95 2HG GLU 95 4.587 10.696 -3.144 829 H LYS 96 H LYS 96 4.926 15.699 -3.603 830 HA LYS 96 HA LYS 96 6.970 15.833 -1.734 831 1HB LYS 96 1HB LYS 96 5.916 17.765 -3.801 832 2HB LYS 96 2HB LYS 96 7.272 18.176 -2.771 833 1HG LYS 96 1HG LYS 96 7.257 15.540 -4.275 834 2HG LYS 96 2HG LYS 96 7.716 17.015 -5.101 835 1HD LYS 96 1HD LYS 96 9.701 17.221 -3.940 836 2HD LYS 96 2HD LYS 96 9.016 16.617 -2.444 837 1HE LYS 96 1HE LYS 96 9.175 14.311 -3.195 838 2HE LYS 96 2HE LYS 96 9.542 14.801 -4.837 839 1HZ LYS 96 1HZ LYS 96 11.486 14.146 -3.513 840 2HZ LYS 96 2HZ LYS 96 11.613 15.656 -4.121 841 3HZ LYS 96 3HZ LYS 96 11.259 15.439 -2.541 842 H LYS 97 H LYS 97 3.656 16.789 -1.502 843 HA LYS 97 HA LYS 97 4.070 18.924 0.344 844 1HB LYS 97 1HB LYS 97 2.046 18.343 -1.264 845 2HB LYS 97 2HB LYS 97 1.484 17.424 0.118 846 1HG LYS 97 1HG LYS 97 0.541 19.507 0.590 847 2HG LYS 97 2HG LYS 97 2.047 19.637 1.476 848 1HD LYS 97 1HD LYS 97 2.438 20.446 -1.308 849 2HD LYS 97 2HD LYS 97 1.117 21.350 -0.595 850 1HE LYS 97 1HE LYS 97 2.998 21.408 1.450 851 2HE LYS 97 2HE LYS 97 4.023 21.443 0.029 852 1HZ LYS 97 1HZ LYS 97 1.855 23.165 -0.343 853 2HZ LYS 97 2HZ LYS 97 2.570 23.519 1.082 854 3HZ LYS 97 3HZ LYS 97 3.447 23.526 -0.295 855 H TYR 98 H TYR 98 2.758 15.546 0.678 856 HA TYR 98 HA TYR 98 3.446 15.702 3.521 857 1HB TYR 98 1HB TYR 98 1.710 13.916 1.712 858 2HB TYR 98 2HB TYR 98 1.984 13.519 3.397 859 HD1 TYR 98 HD1 TYR 98 -0.080 15.303 1.110 860 HD2 TYR 98 HD2 TYR 98 1.320 15.338 5.153 861 HE1 TYR 98 HE1 TYR 98 -2.037 16.780 1.783 862 HE2 TYR 98 HE2 TYR 98 -0.642 16.815 5.812 863 HH TYR 98 HH TYR 98 -3.169 17.089 4.615 864 H GLY 99 H GLY 99 3.612 13.385 0.719 865 1HA GLY 99 1HA GLY 99 5.898 12.550 0.269 866 2HA GLY 99 2HA GLY 99 6.028 12.239 1.989 867 H VAL 100 H VAL 100 6.205 9.988 1.978 868 HA VAL 100 HA VAL 100 3.853 8.585 0.912 869 HB VAL 100 HB VAL 100 6.546 7.291 1.061 870 1HG1 VAL 100 1HG1 VAL 100 4.651 6.859 -1.191 871 2HG1 VAL 100 2HG1 VAL 100 5.630 5.692 -0.271 872 3HG1 VAL 100 3HG1 VAL 100 4.113 6.318 0.417 873 1HG2 VAL 100 1HG2 VAL 100 6.936 7.986 -1.327 874 2HG2 VAL 100 2HG2 VAL 100 5.625 9.174 -1.132 875 3HG2 VAL 100 3HG2 VAL 100 7.093 9.297 -0.133 876 H VAL 101 H VAL 101 2.719 7.495 2.436 877 HA VAL 101 HA VAL 101 4.071 7.078 5.006 878 HB VAL 101 HB VAL 101 1.693 6.902 5.843 879 1HG1 VAL 101 1HG1 VAL 101 2.833 8.881 6.387 880 2HG1 VAL 101 2HG1 VAL 101 2.851 9.447 4.700 881 3HG1 VAL 101 3HG1 VAL 101 1.329 9.447 5.624 882 1HG2 VAL 101 1HG2 VAL 101 -0.103 7.181 4.512 883 2HG2 VAL 101 2HG2 VAL 101 0.672 8.476 3.569 884 3HG2 VAL 101 3HG2 VAL 101 1.015 6.772 3.189 885 H ALA 102 H ALA 102 4.926 5.056 5.101 886 HA ALA 102 HA ALA 102 3.780 2.920 3.587 887 1HB ALA 102 1HB ALA 102 6.250 3.547 4.871 888 2HB ALA 102 2HB ALA 102 5.646 2.037 5.596 889 3HB ALA 102 3HB ALA 102 5.874 2.149 3.834 890 H ILE 103 H ILE 103 1.702 2.395 4.247 891 HA ILE 103 HA ILE 103 1.261 2.032 7.102 892 HB ILE 103 HB ILE 103 -0.670 1.933 4.782 893 1HG1 ILE 103 1HG1 ILE 103 -0.976 4.207 6.533 894 2HG1 ILE 103 2HG1 ILE 103 0.660 4.163 5.907 895 1HG2 ILE 103 1HG2 ILE 103 -0.955 1.031 7.434 896 2HG2 ILE 103 2HG2 ILE 103 -1.830 2.579 7.339 897 3HG2 ILE 103 3HG2 ILE 103 -2.228 1.261 6.210 898 1HD1 ILE 103 1HD1 ILE 103 -1.632 3.661 4.003 899 2HD1 ILE 103 2HD1 ILE 103 -1.268 5.328 4.509 900 3HD1 ILE 103 3HD1 ILE 103 -0.028 4.361 3.675 901 H GLU 104 H GLU 104 1.400 0.075 8.057 902 HA GLU 104 HA GLU 104 1.892 -2.173 6.366 903 1HB GLU 104 1HB GLU 104 2.992 -1.530 8.681 904 2HB GLU 104 2HB GLU 104 1.592 -2.325 9.374 905 1HG GLU 104 1HG GLU 104 2.251 -4.429 8.667 906 2HG GLU 104 2HG GLU 104 2.961 -3.829 7.181 907 H ILE 105 H ILE 105 0.183 -3.210 5.424 908 HA ILE 105 HA ILE 105 -2.246 -3.485 7.053 909 HB ILE 105 HB ILE 105 -3.533 -3.382 5.141 910 1HG1 ILE 105 1HG1 ILE 105 -2.323 -5.043 3.815 911 2HG1 ILE 105 2HG1 ILE 105 -2.736 -3.635 2.857 912 1HG2 ILE 105 1HG2 ILE 105 -1.199 -1.490 4.784 913 2HG2 ILE 105 2HG2 ILE 105 -2.720 -1.377 3.868 914 3HG2 ILE 105 3HG2 ILE 105 -2.732 -1.192 5.638 915 1HD1 ILE 105 1HD1 ILE 105 -0.028 -4.477 3.915 916 2HD1 ILE 105 2HD1 ILE 105 -0.488 -3.997 2.264 917 3HD1 ILE 105 3HD1 ILE 105 -0.340 -2.765 3.541 918 H GLU 106 H GLU 106 -3.443 -5.559 6.786 919 HA GLU 106 HA GLU 106 -1.801 -7.717 5.807 920 1HB GLU 106 1HB GLU 106 -2.972 -7.929 8.599 921 2HB GLU 106 2HB GLU 106 -1.778 -8.966 7.843 922 1HG GLU 106 1HG GLU 106 -1.264 -6.013 8.412 923 2HG GLU 106 2HG GLU 106 -0.882 -7.277 9.565 924 HA PRO 107 HA PRO 107 -5.939 -8.631 4.619 925 1HB PRO 107 1HB PRO 107 -5.330 -10.474 2.695 926 2HB PRO 107 2HB PRO 107 -5.393 -8.751 2.385 927 1HG PRO 107 1HG PRO 107 -3.025 -10.497 2.668 928 2HG PRO 107 2HG PRO 107 -3.133 -8.902 1.952 929 1HD PRO 107 1HD PRO 107 -2.072 -9.555 4.536 930 2HD PRO 107 2HD PRO 107 -2.286 -7.950 3.866 931 H LEU 108 H LEU 108 -7.304 -9.711 5.878 932 HA LEU 108 HA LEU 108 -6.284 -12.277 6.843 933 1HB LEU 108 1HB LEU 108 -8.439 -11.862 8.355 934 2HB LEU 108 2HB LEU 108 -6.840 -11.263 8.752 935 HG LEU 108 HG LEU 108 -8.671 -9.608 9.077 936 1HD1 LEU 108 1HD1 LEU 108 -6.118 -9.231 8.011 937 2HD1 LEU 108 2HD1 LEU 108 -7.180 -8.178 7.045 938 3HD1 LEU 108 3HD1 LEU 108 -7.142 -8.019 8.817 939 1HD2 LEU 108 1HD2 LEU 108 -9.365 -10.413 6.411 940 2HD2 LEU 108 2HD2 LEU 108 -10.250 -9.361 7.542 941 3HD2 LEU 108 3HD2 LEU 108 -9.041 -8.663 6.439 942 H GLU 109 H GLU 109 -7.305 -11.821 4.087 943 HA GLU 109 HA GLU 109 -9.940 -12.773 3.987 944 1HB GLU 109 1HB GLU 109 -8.994 -11.488 2.140 945 2HB GLU 109 2HB GLU 109 -7.723 -12.670 1.899 946 1HG GLU 109 1HG GLU 109 -9.266 -13.284 0.236 947 2HG GLU 109 2HG GLU 109 -9.688 -14.383 1.535 948 H TYR 110 H TYR 110 -7.501 -14.534 2.095 949 HA TYR 110 HA TYR 110 -7.470 -16.816 3.813 950 1HB TYR 110 1HB TYR 110 -9.776 -16.622 2.463 951 2HB TYR 110 2HB TYR 110 -8.809 -17.046 1.064 952 HD1 TYR 110 HD1 TYR 110 -9.829 -18.252 4.443 953 HD2 TYR 110 HD2 TYR 110 -8.269 -19.303 0.600 954 HE1 TYR 110 HE1 TYR 110 -10.086 -20.718 5.005 955 HE2 TYR 110 HE2 TYR 110 -8.531 -21.765 1.175 956 HH TYR 110 HH TYR 110 -9.980 -22.751 4.261 Start of MODEL 8 1 HA MET 1 HA MET 1 -18.136 3.290 8.499 2 1HB MET 1 1HB MET 1 -16.808 3.650 11.110 3 2HB MET 1 2HB MET 1 -15.723 4.072 9.799 4 1HG MET 1 1HG MET 1 -16.953 6.080 10.402 5 2HG MET 1 2HG MET 1 -17.539 5.558 8.835 6 1HE MET 1 1HE MET 1 -20.311 7.017 11.516 7 2HE MET 1 2HE MET 1 -18.801 6.649 12.383 8 3HE MET 1 3HE MET 1 -18.745 7.501 10.821 9 H GLU 2 H GLU 2 -17.565 0.548 8.048 10 HA GLU 2 HA GLU 2 -14.824 0.093 7.779 11 1HB GLU 2 1HB GLU 2 -16.681 -1.647 7.866 12 2HB GLU 2 2HB GLU 2 -17.082 -1.226 6.213 13 1HG GLU 2 1HG GLU 2 -14.401 -1.619 5.915 14 2HG GLU 2 2HG GLU 2 -14.685 -2.686 7.276 15 H TRP 3 H TRP 3 -13.470 0.109 5.882 16 HA TRP 3 HA TRP 3 -14.336 2.107 3.944 17 1HB TRP 3 1HB TRP 3 -11.598 0.892 4.342 18 2HB TRP 3 2HB TRP 3 -12.007 2.281 3.354 19 HD1 TRP 3 HD1 TRP 3 -11.190 1.351 6.942 20 HE1 TRP 3 HE1 TRP 3 -11.082 3.466 8.517 21 HE3 TRP 3 HE3 TRP 3 -13.170 4.610 3.577 22 HZ2 TRP 3 HZ2 TRP 3 -11.820 6.203 8.186 23 HZ3 TRP 3 HZ3 TRP 3 -13.442 6.985 4.283 24 HH2 TRP 3 HH2 TRP 3 -12.804 7.798 6.498 25 H GLU 4 H GLU 4 -14.363 1.658 1.676 26 HA GLU 4 HA GLU 4 -13.935 -1.128 0.981 27 1HB GLU 4 1HB GLU 4 -16.043 -1.055 -0.417 28 2HB GLU 4 2HB GLU 4 -16.322 -1.028 1.313 29 1HG GLU 4 1HG GLU 4 -16.009 1.703 0.486 30 2HG GLU 4 2HG GLU 4 -17.080 0.945 -0.675 31 H MET 5 H MET 5 -12.777 -1.358 -0.906 32 HA MET 5 HA MET 5 -12.738 0.959 -2.672 33 1HB MET 5 1HB MET 5 -10.328 -0.765 -1.868 34 2HB MET 5 2HB MET 5 -10.275 0.606 -2.959 35 1HG MET 5 1HG MET 5 -11.384 1.877 -0.857 36 2HG MET 5 2HG MET 5 -10.624 0.577 0.039 37 1HE MET 5 1HE MET 5 -8.945 2.061 1.351 38 2HE MET 5 2HE MET 5 -8.296 0.525 0.729 39 3HE MET 5 3HE MET 5 -7.311 2.006 0.647 40 H GLY 6 H GLY 6 -11.157 0.054 -4.727 41 1HA GLY 6 1HA GLY 6 -12.027 -2.647 -5.434 42 2HA GLY 6 2HA GLY 6 -12.629 -1.328 -6.417 43 H LEU 7 H LEU 7 -10.739 -3.579 -7.094 44 HA LEU 7 HA LEU 7 -8.926 -2.046 -8.614 45 1HB LEU 7 1HB LEU 7 -6.846 -3.021 -7.583 46 2HB LEU 7 2HB LEU 7 -7.619 -1.704 -6.724 47 HG LEU 7 HG LEU 7 -8.348 -4.486 -5.917 48 1HD1 LEU 7 1HD1 LEU 7 -6.239 -5.125 -5.603 49 2HD1 LEU 7 2HD1 LEU 7 -5.607 -3.494 -5.930 50 3HD1 LEU 7 3HD1 LEU 7 -6.173 -3.918 -4.296 51 1HD2 LEU 7 1HD2 LEU 7 -9.363 -3.315 -4.330 52 2HD2 LEU 7 2HD2 LEU 7 -7.761 -2.847 -3.709 53 3HD2 LEU 7 3HD2 LEU 7 -8.599 -1.805 -4.884 54 H GLN 8 H GLN 8 -7.127 -3.817 -9.490 55 HA GLN 8 HA GLN 8 -8.784 -5.721 -10.754 56 1HB GLN 8 1HB GLN 8 -5.846 -5.009 -10.867 57 2HB GLN 8 2HB GLN 8 -6.405 -6.477 -11.644 58 1HG GLN 8 1HG GLN 8 -6.597 -4.897 -13.379 59 2HG GLN 8 2HG GLN 8 -8.232 -4.951 -12.750 60 1HE2 GLN 8 1HE2 GLN 8 -9.122 -3.051 -12.614 61 2HE2 GLN 8 2HE2 GLN 8 -8.366 -1.558 -12.167 62 H GLU 9 H GLU 9 -8.393 -8.099 -10.780 63 HA GLU 9 HA GLU 9 -8.333 -9.104 -8.208 64 1HB GLU 9 1HB GLU 9 -9.504 -10.385 -9.811 65 2HB GLU 9 2HB GLU 9 -8.188 -10.335 -10.967 66 1HG GLU 9 1HG GLU 9 -7.747 -11.686 -8.293 67 2HG GLU 9 2HG GLU 9 -8.643 -12.534 -9.538 68 H GLU 10 H GLU 10 -5.834 -9.137 -10.834 69 HA GLU 10 HA GLU 10 -3.968 -10.632 -9.511 70 1HB GLU 10 1HB GLU 10 -4.124 -9.169 -11.912 71 2HB GLU 10 2HB GLU 10 -2.761 -8.458 -11.071 72 1HG GLU 10 1HG GLU 10 -1.999 -10.930 -10.637 73 2HG GLU 10 2HG GLU 10 -3.152 -11.360 -11.884 74 H PHE 11 H PHE 11 -4.867 -7.204 -9.143 75 HA PHE 11 HA PHE 11 -2.562 -6.525 -7.620 76 1HB PHE 11 1HB PHE 11 -4.845 -5.310 -8.874 77 2HB PHE 11 2HB PHE 11 -5.012 -4.937 -7.170 78 HD1 PHE 11 HD1 PHE 11 -2.857 -4.521 -10.124 79 HD2 PHE 11 HD2 PHE 11 -3.539 -3.389 -6.092 80 HE1 PHE 11 HE1 PHE 11 -1.211 -2.642 -10.373 81 HE2 PHE 11 HE2 PHE 11 -1.894 -1.510 -6.341 82 HZ PHE 11 HZ PHE 11 -0.749 -1.159 -8.478 83 H LEU 12 H LEU 12 -5.768 -7.899 -6.951 84 HA LEU 12 HA LEU 12 -5.857 -7.240 -4.220 85 1HB LEU 12 1HB LEU 12 -7.237 -9.193 -6.016 86 2HB LEU 12 2HB LEU 12 -7.416 -9.357 -4.280 87 HG LEU 12 HG LEU 12 -8.000 -6.763 -5.717 88 1HD1 LEU 12 1HD1 LEU 12 -9.379 -9.127 -6.176 89 2HD1 LEU 12 2HD1 LEU 12 -10.353 -8.294 -4.941 90 3HD1 LEU 12 3HD1 LEU 12 -9.969 -7.475 -6.473 91 1HD2 LEU 12 1HD2 LEU 12 -9.536 -7.382 -3.325 92 2HD2 LEU 12 2HD2 LEU 12 -7.783 -7.382 -3.016 93 3HD2 LEU 12 3HD2 LEU 12 -8.563 -5.947 -3.725 94 H GLU 13 H GLU 13 -4.706 -10.173 -6.009 95 HA GLU 13 HA GLU 13 -4.007 -11.576 -3.731 96 1HB GLU 13 1HB GLU 13 -4.218 -12.350 -6.212 97 2HB GLU 13 2HB GLU 13 -2.555 -11.826 -6.386 98 1HG GLU 13 1HG GLU 13 -1.955 -13.874 -5.606 99 2HG GLU 13 2HG GLU 13 -2.474 -13.321 -4.026 100 H LEU 14 H LEU 14 -2.385 -8.985 -5.533 101 HA LEU 14 HA LEU 14 0.215 -9.405 -4.638 102 1HB LEU 14 1HB LEU 14 -1.344 -7.072 -5.669 103 2HB LEU 14 2HB LEU 14 0.243 -6.795 -4.979 104 HG LEU 14 HG LEU 14 -0.487 -8.400 -7.426 105 1HD1 LEU 14 1HD1 LEU 14 -0.022 -6.399 -8.318 106 2HD1 LEU 14 2HD1 LEU 14 0.818 -5.827 -6.856 107 3HD1 LEU 14 3HD1 LEU 14 1.678 -6.845 -8.036 108 1HD2 LEU 14 1HD2 LEU 14 0.999 -9.896 -6.422 109 2HD2 LEU 14 2HD2 LEU 14 2.027 -8.930 -7.508 110 3HD2 LEU 14 3HD2 LEU 14 2.017 -8.595 -5.760 111 H ILE 15 H ILE 15 -2.630 -7.840 -3.127 112 HA ILE 15 HA ILE 15 -1.257 -6.621 -1.024 113 HB ILE 15 HB ILE 15 -4.047 -7.363 -1.669 114 1HG1 ILE 15 1HG1 ILE 15 -4.279 -4.919 -0.817 115 2HG1 ILE 15 2HG1 ILE 15 -2.528 -4.882 -0.882 116 1HG2 ILE 15 1HG2 ILE 15 -3.816 -8.240 0.621 117 2HG2 ILE 15 2HG2 ILE 15 -3.238 -6.646 1.162 118 3HG2 ILE 15 3HG2 ILE 15 -4.896 -6.827 0.540 119 1HD1 ILE 15 1HD1 ILE 15 -2.602 -5.587 -3.280 120 2HD1 ILE 15 2HD1 ILE 15 -4.381 -5.582 -3.207 121 3HD1 ILE 15 3HD1 ILE 15 -3.477 -4.062 -3.005 122 H LYS 16 H LYS 16 -2.687 -9.913 -1.405 123 HA LYS 16 HA LYS 16 -2.099 -10.699 1.239 124 1HB LYS 16 1HB LYS 16 -3.450 -11.750 -1.021 125 2HB LYS 16 2HB LYS 16 -2.221 -12.922 -0.591 126 1HG LYS 16 1HG LYS 16 -3.027 -12.682 1.851 127 2HG LYS 16 2HG LYS 16 -4.391 -11.780 1.220 128 1HD LYS 16 1HD LYS 16 -3.668 -14.570 0.222 129 2HD LYS 16 2HD LYS 16 -4.760 -14.305 1.567 130 1HE LYS 16 1HE LYS 16 -6.282 -12.990 0.129 131 2HE LYS 16 2HE LYS 16 -5.161 -13.101 -1.213 132 1HZ LYS 16 1HZ LYS 16 -5.504 -15.409 -1.333 133 2HZ LYS 16 2HZ LYS 16 -6.318 -15.466 0.082 134 3HZ LYS 16 3HZ LYS 16 -6.991 -14.743 -1.219 135 H LEU 17 H LEU 17 -0.242 -10.479 -1.759 136 HA LEU 17 HA LEU 17 1.834 -12.215 -0.799 137 1HB LEU 17 1HB LEU 17 1.379 -10.532 -3.236 138 2HB LEU 17 2HB LEU 17 2.986 -11.132 -2.878 139 HG LEU 17 HG LEU 17 0.833 -13.166 -2.789 140 1HD1 LEU 17 1HD1 LEU 17 -0.116 -12.637 -4.730 141 2HD1 LEU 17 2HD1 LEU 17 1.105 -11.390 -5.078 142 3HD1 LEU 17 3HD1 LEU 17 1.421 -13.089 -5.505 143 1HD2 LEU 17 1HD2 LEU 17 3.120 -13.672 -4.511 144 2HD2 LEU 17 2HD2 LEU 17 3.614 -13.138 -2.887 145 3HD2 LEU 17 3HD2 LEU 17 2.549 -14.552 -3.073 146 H ARG 18 H ARG 18 1.332 -8.661 -1.266 147 HA ARG 18 HA ARG 18 3.869 -8.102 -0.150 148 1HB ARG 18 1HB ARG 18 3.084 -5.712 -0.275 149 2HB ARG 18 2HB ARG 18 2.884 -6.565 -1.792 150 1HG ARG 18 1HG ARG 18 0.644 -6.211 -1.763 151 2HG ARG 18 2HG ARG 18 0.501 -6.962 -0.185 152 1HD ARG 18 1HD ARG 18 -0.296 -4.618 -0.102 153 2HD ARG 18 2HD ARG 18 1.114 -4.819 0.919 154 HE ARG 18 HE ARG 18 2.297 -3.363 -0.476 155 1HH1 ARG 18 2HH2 ARG 18 -0.517 -4.571 -2.210 156 2HH1 ARG 18 1HH2 ARG 18 -0.281 -3.531 -3.575 157 1HH2 ARG 18 2HH1 ARG 18 2.608 -1.990 -2.276 158 2HH2 ARG 18 1HH1 ARG 18 1.508 -2.053 -3.613 159 H LYS 19 H LYS 19 1.224 -9.401 1.269 160 HA LYS 19 HA LYS 19 0.764 -7.667 3.456 161 1HB LYS 19 1HB LYS 19 -1.023 -9.028 3.287 162 2HB LYS 19 2HB LYS 19 -0.110 -10.325 2.543 163 1HG LYS 19 1HG LYS 19 0.940 -10.725 4.882 164 2HG LYS 19 2HG LYS 19 -0.297 -9.654 5.509 165 1HD LYS 19 1HD LYS 19 -1.912 -11.254 5.348 166 2HD LYS 19 2HD LYS 19 -1.454 -11.664 3.706 167 1HE LYS 19 1HE LYS 19 -1.000 -13.654 4.918 168 2HE LYS 19 2HE LYS 19 0.578 -12.908 4.758 169 1HZ LYS 19 1HZ LYS 19 0.647 -13.066 6.947 170 2HZ LYS 19 2HZ LYS 19 -0.414 -11.827 7.018 171 3HZ LYS 19 3HZ LYS 19 -0.951 -13.367 7.100 172 H LYS 20 H LYS 20 3.145 -10.181 2.686 173 HA LYS 20 HA LYS 20 4.037 -10.317 5.430 174 1HB LYS 20 1HB LYS 20 5.237 -11.577 2.947 175 2HB LYS 20 2HB LYS 20 5.596 -11.983 4.613 176 1HG LYS 20 1HG LYS 20 3.557 -13.079 4.943 177 2HG LYS 20 2HG LYS 20 2.709 -12.095 3.766 178 1HD LYS 20 1HD LYS 20 4.855 -13.652 2.498 179 2HD LYS 20 2HD LYS 20 3.744 -14.695 3.363 180 1HE LYS 20 1HE LYS 20 1.862 -13.266 2.171 181 2HE LYS 20 2HE LYS 20 3.147 -12.787 1.080 182 1HZ LYS 20 1HZ LYS 20 1.714 -15.086 0.965 183 2HZ LYS 20 2HZ LYS 20 3.072 -14.756 0.120 184 3HZ LYS 20 3HZ LYS 20 3.167 -15.572 1.531 185 H LYS 21 H LYS 21 4.167 -7.921 3.245 186 HA LYS 21 HA LYS 21 6.887 -7.184 4.066 187 1HB LYS 21 1HB LYS 21 5.600 -6.715 1.360 188 2HB LYS 21 2HB LYS 21 7.122 -6.020 1.880 189 1HG LYS 21 1HG LYS 21 6.606 -9.027 1.881 190 2HG LYS 21 2HG LYS 21 7.277 -8.186 0.497 191 1HD LYS 21 1HD LYS 21 9.075 -7.260 2.127 192 2HD LYS 21 2HD LYS 21 8.493 -8.447 3.277 193 1HE LYS 21 1HE LYS 21 8.840 -10.204 1.381 194 2HE LYS 21 2HE LYS 21 9.754 -8.958 0.553 195 1HZ LYS 21 1HZ LYS 21 10.374 -10.312 3.047 196 2HZ LYS 21 2HZ LYS 21 11.349 -9.978 1.780 197 3HZ LYS 21 3HZ LYS 21 10.936 -8.794 2.827 198 H ILE 22 H ILE 22 4.973 -5.040 2.069 199 HA ILE 22 HA ILE 22 3.575 -3.795 4.203 200 HB ILE 22 HB ILE 22 6.290 -3.115 3.974 201 1HG1 ILE 22 1HG1 ILE 22 4.982 -3.097 6.026 202 2HG1 ILE 22 2HG1 ILE 22 5.763 -1.549 5.776 203 1HG2 ILE 22 1HG2 ILE 22 5.445 -1.719 1.996 204 2HG2 ILE 22 2HG2 ILE 22 4.645 -0.704 3.220 205 3HG2 ILE 22 3HG2 ILE 22 6.414 -0.897 3.242 206 1HD1 ILE 22 1HD1 ILE 22 3.674 -0.573 4.916 207 2HD1 ILE 22 2HD1 ILE 22 2.867 -2.156 5.020 208 3HD1 ILE 22 3HD1 ILE 22 3.377 -1.317 6.505 209 H GLU 23 H GLU 23 2.891 -1.415 3.261 210 HA GLU 23 HA GLU 23 2.545 -1.655 0.404 211 1HB GLU 23 1HB GLU 23 0.526 -2.708 0.975 212 2HB GLU 23 2HB GLU 23 0.325 -1.773 2.443 213 1HG GLU 23 1HG GLU 23 -0.359 0.192 1.233 214 2HG GLU 23 2HG GLU 23 0.223 -0.444 -0.292 215 H GLY 24 H GLY 24 3.294 0.269 -0.366 216 1HA GLY 24 1HA GLY 24 3.349 2.603 1.326 217 2HA GLY 24 2HA GLY 24 3.964 2.444 -0.307 218 H ARG 25 H ARG 25 2.579 4.757 0.419 219 HA ARG 25 HA ARG 25 0.800 5.028 -1.577 220 1HB ARG 25 1HB ARG 25 -0.427 3.486 0.452 221 2HB ARG 25 2HB ARG 25 -1.071 5.097 0.701 222 1HG ARG 25 1HG ARG 25 -2.483 4.784 -1.042 223 2HG ARG 25 2HG ARG 25 -1.106 4.679 -2.121 224 1HD ARG 25 1HD ARG 25 -0.951 2.263 -1.825 225 2HD ARG 25 2HD ARG 25 -2.109 2.288 -0.510 226 HE ARG 25 HE ARG 25 -3.531 3.407 -2.602 227 1HH1 ARG 25 2HH2 ARG 25 -1.705 0.422 -2.232 228 2HH1 ARG 25 1HH2 ARG 25 -2.672 -0.460 -3.366 229 1HH2 ARG 25 2HH1 ARG 25 -4.807 2.244 -4.099 230 2HH2 ARG 25 1HH1 ARG 25 -4.448 0.583 -4.435 231 H LEU 26 H LEU 26 1.253 7.196 -1.837 232 HA LEU 26 HA LEU 26 2.248 8.920 -0.059 233 1HB LEU 26 1HB LEU 26 2.192 10.105 -1.911 234 2HB LEU 26 2HB LEU 26 0.976 9.051 -2.605 235 HG LEU 26 HG LEU 26 -0.728 10.456 -1.241 236 1HD1 LEU 26 1HD1 LEU 26 0.286 12.920 -1.214 237 2HD1 LEU 26 2HD1 LEU 26 0.382 11.830 0.190 238 3HD1 LEU 26 3HD1 LEU 26 1.785 12.016 -0.889 239 1HD2 LEU 26 1HD2 LEU 26 0.728 11.369 -3.719 240 2HD2 LEU 26 2HD2 LEU 26 -0.848 10.554 -3.576 241 3HD2 LEU 26 3HD2 LEU 26 -0.675 12.252 -3.071 242 H TYR 27 H TYR 27 1.603 10.183 1.660 243 HA TYR 27 HA TYR 27 -0.786 9.406 2.974 244 1HB TYR 27 1HB TYR 27 1.620 10.349 3.734 245 2HB TYR 27 2HB TYR 27 0.890 11.920 3.468 246 HD1 TYR 27 HD1 TYR 27 -0.724 8.863 4.891 247 HD2 TYR 27 HD2 TYR 27 0.744 12.812 5.640 248 HE1 TYR 27 HE1 TYR 27 -1.723 8.799 7.228 249 HE2 TYR 27 HE2 TYR 27 -0.261 12.734 7.974 250 HH TYR 27 HH TYR 27 -1.255 9.906 9.415 251 H ASP 28 H ASP 28 -2.517 9.909 1.487 252 HA ASP 28 HA ASP 28 -2.805 12.654 0.735 253 1HB ASP 28 1HB ASP 28 -4.841 10.408 0.419 254 2HB ASP 28 2HB ASP 28 -4.756 11.893 -0.506 255 H GLU 29 H GLU 29 -5.691 12.863 0.900 256 HA GLU 29 HA GLU 29 -5.926 13.577 3.616 257 1HB GLU 29 1HB GLU 29 -7.655 13.744 1.161 258 2HB GLU 29 2HB GLU 29 -8.444 13.910 2.717 259 1HG GLU 29 1HG GLU 29 -6.430 15.603 3.206 260 2HG GLU 29 2HG GLU 29 -6.342 15.680 1.458 261 H LYS 30 H LYS 30 -7.421 11.044 1.501 262 HA LYS 30 HA LYS 30 -9.026 9.972 3.555 263 1HB LYS 30 1HB LYS 30 -8.251 9.233 0.775 264 2HB LYS 30 2HB LYS 30 -8.827 7.937 1.803 265 1HG LYS 30 1HG LYS 30 -10.975 8.733 1.822 266 2HG LYS 30 2HG LYS 30 -10.461 10.395 2.036 267 1HD LYS 30 1HD LYS 30 -9.620 9.971 -0.541 268 2HD LYS 30 2HD LYS 30 -10.989 8.879 -0.490 269 1HE LYS 30 1HE LYS 30 -11.695 11.418 0.773 270 2HE LYS 30 2HE LYS 30 -11.050 11.707 -0.830 271 1HZ LYS 30 1HZ LYS 30 -13.313 9.992 -0.110 272 2HZ LYS 30 2HZ LYS 30 -13.317 11.305 -1.081 273 3HZ LYS 30 3HZ LYS 30 -12.605 9.923 -1.580 274 H ARG 31 H ARG 31 -5.718 9.279 2.322 275 HA ARG 31 HA ARG 31 -5.327 6.949 3.700 276 1HB ARG 31 1HB ARG 31 -3.264 9.130 3.100 277 2HB ARG 31 2HB ARG 31 -2.891 7.454 3.450 278 1HG ARG 31 1HG ARG 31 -4.481 8.482 1.054 279 2HG ARG 31 2HG ARG 31 -2.852 7.838 1.014 280 1HD ARG 31 1HD ARG 31 -3.757 5.635 1.900 281 2HD ARG 31 2HD ARG 31 -5.376 6.294 1.784 282 HE ARG 31 HE ARG 31 -3.813 6.481 -0.704 283 1HH1 ARG 31 2HH2 ARG 31 -6.070 4.556 1.190 284 2HH1 ARG 31 1HH2 ARG 31 -6.648 3.659 -0.175 285 1HH2 ARG 31 2HH1 ARG 31 -4.575 5.297 -2.504 286 2HH2 ARG 31 1HH1 ARG 31 -5.792 4.083 -2.290 287 H ARG 32 H ARG 32 -4.536 10.370 4.650 288 HA ARG 32 HA ARG 32 -3.517 9.677 7.132 289 1HB ARG 32 1HB ARG 32 -3.682 12.084 7.639 290 2HB ARG 32 2HB ARG 32 -3.137 11.876 5.986 291 1HG ARG 32 1HG ARG 32 -5.311 12.408 5.087 292 2HG ARG 32 2HG ARG 32 -6.088 12.229 6.647 293 1HD ARG 32 1HD ARG 32 -3.989 14.368 6.047 294 2HD ARG 32 2HD ARG 32 -5.715 14.643 5.921 295 HE ARG 32 HE ARG 32 -5.069 13.521 8.506 296 1HH1 ARG 32 2HH2 ARG 32 -4.916 16.516 6.665 297 2HH1 ARG 32 1HH2 ARG 32 -4.963 17.530 8.068 298 1HH2 ARG 32 2HH1 ARG 32 -5.131 14.859 10.358 299 2HH2 ARG 32 1HH1 ARG 32 -5.086 16.581 10.183 300 H GLN 33 H GLN 33 -6.786 9.973 5.885 301 HA GLN 33 HA GLN 33 -8.012 10.520 8.364 302 1HB GLN 33 1HB GLN 33 -8.807 10.158 5.590 303 2HB GLN 33 2HB GLN 33 -9.878 9.239 6.629 304 1HG GLN 33 1HG GLN 33 -9.173 12.099 7.354 305 2HG GLN 33 2HG GLN 33 -10.395 11.788 6.137 306 1HE2 GLN 33 1HE2 GLN 33 -12.121 10.233 6.723 307 2HE2 GLN 33 2HE2 GLN 33 -12.758 10.263 8.333 308 H ILE 34 H ILE 34 -7.009 7.598 6.593 309 HA ILE 34 HA ILE 34 -8.534 5.824 8.229 310 HB ILE 34 HB ILE 34 -6.308 5.429 6.233 311 1HG1 ILE 34 1HG1 ILE 34 -9.273 4.819 6.057 312 2HG1 ILE 34 2HG1 ILE 34 -8.508 6.245 5.386 313 1HG2 ILE 34 1HG2 ILE 34 -7.482 2.980 6.481 314 2HG2 ILE 34 2HG2 ILE 34 -5.957 3.466 7.259 315 3HG2 ILE 34 3HG2 ILE 34 -7.485 3.546 8.168 316 1HD1 ILE 34 1HD1 ILE 34 -6.900 4.167 4.422 317 2HD1 ILE 34 2HD1 ILE 34 -8.544 3.488 4.358 318 3HD1 ILE 34 3HD1 ILE 34 -8.176 5.008 3.508 319 H LYS 35 H LYS 35 -7.755 4.417 9.884 320 HA LYS 35 HA LYS 35 -5.104 5.093 10.915 321 1HB LYS 35 1HB LYS 35 -5.835 5.629 13.042 322 2HB LYS 35 2HB LYS 35 -7.041 6.403 12.034 323 1HG LYS 35 1HG LYS 35 -8.628 5.240 13.163 324 2HG LYS 35 2HG LYS 35 -8.033 3.784 12.391 325 1HD LYS 35 1HD LYS 35 -7.022 3.036 14.301 326 2HD LYS 35 2HD LYS 35 -6.353 4.612 14.677 327 1HE LYS 35 1HE LYS 35 -7.934 4.046 16.435 328 2HE LYS 35 2HE LYS 35 -8.636 5.344 15.490 329 1HZ LYS 35 1HZ LYS 35 -9.453 2.598 15.690 330 2HZ LYS 35 2HZ LYS 35 -10.352 3.938 15.436 331 3HZ LYS 35 3HZ LYS 35 -9.554 3.242 14.193 332 HA PRO 36 HA PRO 36 -4.839 0.837 11.575 333 1HB PRO 36 1HB PRO 36 -3.263 0.613 13.797 334 2HB PRO 36 2HB PRO 36 -2.626 0.960 12.201 335 1HG PRO 36 1HG PRO 36 -2.985 2.793 14.493 336 2HG PRO 36 2HG PRO 36 -1.983 2.998 13.070 337 1HD PRO 36 1HD PRO 36 -4.510 4.253 13.584 338 2HD PRO 36 2HD PRO 36 -3.564 4.366 12.114 339 H GLY 37 H GLY 37 -7.118 0.515 11.848 340 1HA GLY 37 1HA GLY 37 -7.754 -1.078 13.980 341 2HA GLY 37 2HA GLY 37 -8.152 0.541 14.520 342 H ASP 38 H ASP 38 -8.386 -1.144 11.301 343 HA ASP 38 HA ASP 38 -11.210 -1.140 11.452 344 1HB ASP 38 1HB ASP 38 -9.848 1.135 10.240 345 2HB ASP 38 2HB ASP 38 -10.735 0.265 9.004 346 H VAL 39 H VAL 39 -11.821 -1.416 8.706 347 HA VAL 39 HA VAL 39 -9.827 -3.254 7.628 348 HB VAL 39 HB VAL 39 -12.753 -3.944 7.957 349 1HG1 VAL 39 1HG1 VAL 39 -11.012 -4.860 6.055 350 2HG1 VAL 39 2HG1 VAL 39 -10.784 -6.059 7.351 351 3HG1 VAL 39 3HG1 VAL 39 -12.407 -5.771 6.680 352 1HG2 VAL 39 1HG2 VAL 39 -11.504 -5.820 9.419 353 2HG2 VAL 39 2HG2 VAL 39 -10.374 -4.468 9.674 354 3HG2 VAL 39 3HG2 VAL 39 -12.091 -4.287 10.110 355 H ILE 40 H ILE 40 -9.901 -3.440 5.328 356 HA ILE 40 HA ILE 40 -11.729 -1.516 4.068 357 HB ILE 40 HB ILE 40 -8.932 -2.063 3.107 358 1HG1 ILE 40 1HG1 ILE 40 -9.016 0.480 4.347 359 2HG1 ILE 40 2HG1 ILE 40 -9.688 -0.648 5.508 360 1HG2 ILE 40 1HG2 ILE 40 -9.700 0.525 2.460 361 2HG2 ILE 40 2HG2 ILE 40 -9.697 -0.888 1.378 362 3HG2 ILE 40 3HG2 ILE 40 -11.185 -0.432 2.241 363 1HD1 ILE 40 1HD1 ILE 40 -7.719 -1.902 5.655 364 2HD1 ILE 40 2HD1 ILE 40 -7.185 -1.446 4.019 365 3HD1 ILE 40 3HD1 ILE 40 -7.060 -0.276 5.355 366 H SER 41 H SER 41 -13.245 -2.731 3.054 367 HA SER 41 HA SER 41 -12.517 -5.311 2.077 368 1HB SER 41 1HB SER 41 -14.905 -5.507 1.491 369 2HB SER 41 2HB SER 41 -14.717 -4.932 3.136 370 HG SER 41 HG SER 41 -16.161 -3.790 1.245 371 H PHE 42 H PHE 42 -11.808 -5.746 0.016 372 HA PHE 42 HA PHE 42 -11.943 -3.559 -1.904 373 1HB PHE 42 1HB PHE 42 -10.385 -6.168 -1.536 374 2HB PHE 42 2HB PHE 42 -10.364 -5.358 -3.090 375 HD1 PHE 42 HD1 PHE 42 -8.435 -5.829 -0.372 376 HD2 PHE 42 HD2 PHE 42 -10.042 -2.599 -2.607 377 HE1 PHE 42 HE1 PHE 42 -6.570 -4.350 0.424 378 HE2 PHE 42 HE2 PHE 42 -8.177 -1.120 -1.811 379 HZ PHE 42 HZ PHE 42 -6.463 -2.013 -0.305 380 H GLU 43 H GLU 43 -12.696 -3.884 -4.085 381 HA GLU 43 HA GLU 43 -14.351 -4.476 -5.404 382 1HB GLU 43 1HB GLU 43 -12.970 -7.157 -4.962 383 2HB GLU 43 2HB GLU 43 -14.134 -6.874 -6.241 384 1HG GLU 43 1HG GLU 43 -12.554 -4.776 -6.776 385 2HG GLU 43 2HG GLU 43 -11.360 -5.724 -5.912 386 H GLY 44 H GLY 44 -15.356 -4.220 -2.797 387 1HA GLY 44 1HA GLY 44 -17.510 -4.618 -2.030 388 2HA GLY 44 2HA GLY 44 -17.560 -6.140 -2.896 389 H GLY 45 H GLY 45 -15.634 -7.740 -2.119 390 1HA GLY 45 1HA GLY 45 -14.827 -7.559 0.596 391 2HA GLY 45 2HA GLY 45 -16.257 -8.562 0.454 392 H LYS 46 H LYS 46 -13.881 -8.252 -2.197 393 HA LYS 46 HA LYS 46 -13.504 -11.086 -2.177 394 1HB LYS 46 1HB LYS 46 -13.620 -9.331 -4.164 395 2HB LYS 46 2HB LYS 46 -11.893 -9.230 -3.890 396 1HG LYS 46 1HG LYS 46 -12.650 -12.022 -3.831 397 2HG LYS 46 2HG LYS 46 -13.358 -11.296 -5.260 398 1HD LYS 46 1HD LYS 46 -10.805 -10.200 -5.282 399 2HD LYS 46 2HD LYS 46 -10.500 -11.789 -4.610 400 1HE LYS 46 1HE LYS 46 -11.888 -11.164 -7.257 401 2HE LYS 46 2HE LYS 46 -10.318 -11.916 -7.049 402 1HZ LYS 46 1HZ LYS 46 -12.025 -13.445 -5.589 403 2HZ LYS 46 2HZ LYS 46 -12.872 -13.100 -6.941 404 3HZ LYS 46 3HZ LYS 46 -11.409 -13.816 -7.055 405 H LEU 47 H LEU 47 -11.622 -8.158 -1.281 406 HA LEU 47 HA LEU 47 -9.803 -9.941 0.149 407 1HB LEU 47 1HB LEU 47 -9.039 -8.969 -2.222 408 2HB LEU 47 2HB LEU 47 -8.621 -7.587 -1.228 409 HG LEU 47 HG LEU 47 -6.791 -9.292 -1.685 410 1HD1 LEU 47 1HD1 LEU 47 -7.248 -8.864 1.265 411 2HD1 LEU 47 2HD1 LEU 47 -5.720 -8.864 0.352 412 3HD1 LEU 47 3HD1 LEU 47 -6.869 -7.519 0.163 413 1HD2 LEU 47 1HD2 LEU 47 -8.627 -11.148 -0.913 414 2HD2 LEU 47 2HD2 LEU 47 -6.866 -11.407 -0.936 415 3HD2 LEU 47 3HD2 LEU 47 -7.680 -10.955 0.581 416 H LYS 48 H LYS 48 -9.931 -9.412 2.256 417 HA LYS 48 HA LYS 48 -10.565 -6.614 2.874 418 1HB LYS 48 1HB LYS 48 -11.135 -9.181 4.375 419 2HB LYS 48 2HB LYS 48 -11.322 -7.592 5.088 420 1HG LYS 48 1HG LYS 48 -13.463 -7.810 4.254 421 2HG LYS 48 2HG LYS 48 -12.717 -7.151 2.812 422 1HD LYS 48 1HD LYS 48 -12.845 -9.144 1.663 423 2HD LYS 48 2HD LYS 48 -12.468 -10.108 3.077 424 1HE LYS 48 1HE LYS 48 -14.967 -9.067 3.738 425 2HE LYS 48 2HE LYS 48 -15.113 -9.287 2.006 426 1HZ LYS 48 1HZ LYS 48 -14.011 -11.417 3.672 427 2HZ LYS 48 2HZ LYS 48 -15.627 -11.235 3.520 428 3HZ LYS 48 3HZ LYS 48 -14.711 -11.531 2.201 429 H VAL 49 H VAL 49 -9.220 -5.424 4.212 430 HA VAL 49 HA VAL 49 -6.941 -6.846 5.364 431 HB VAL 49 HB VAL 49 -5.367 -5.332 4.464 432 1HG1 VAL 49 1HG1 VAL 49 -6.848 -5.625 1.932 433 2HG1 VAL 49 2HG1 VAL 49 -5.258 -6.262 2.415 434 3HG1 VAL 49 3HG1 VAL 49 -6.744 -7.115 2.899 435 1HG2 VAL 49 1HG2 VAL 49 -6.490 -3.235 4.577 436 2HG2 VAL 49 2HG2 VAL 49 -6.086 -3.499 2.864 437 3HG2 VAL 49 3HG2 VAL 49 -7.750 -3.766 3.437 438 H ARG 50 H ARG 50 -6.133 -5.896 7.286 439 HA ARG 50 HA ARG 50 -7.785 -3.688 8.223 440 1HB ARG 50 1HB ARG 50 -8.469 -5.511 9.578 441 2HB ARG 50 2HB ARG 50 -6.870 -6.225 9.606 442 1HG ARG 50 1HG ARG 50 -6.128 -4.865 11.331 443 2HG ARG 50 2HG ARG 50 -7.089 -3.494 10.814 444 1HD ARG 50 1HD ARG 50 -8.774 -4.037 12.244 445 2HD ARG 50 2HD ARG 50 -8.850 -5.676 11.629 446 HE ARG 50 HE ARG 50 -6.546 -5.639 13.209 447 1HH1 ARG 50 2HH2 ARG 50 -9.954 -4.937 13.733 448 2HH1 ARG 50 1HH2 ARG 50 -9.923 -5.394 15.404 449 1HH2 ARG 50 2HH1 ARG 50 -6.504 -6.243 15.413 450 2HH2 ARG 50 1HH1 ARG 50 -7.947 -6.141 16.365 451 H VAL 51 H VAL 51 -6.612 -1.855 8.720 452 HA VAL 51 HA VAL 51 -3.862 -1.742 8.383 453 HB VAL 51 HB VAL 51 -5.687 0.101 9.941 454 1HG1 VAL 51 1HG1 VAL 51 -3.198 0.405 10.271 455 2HG1 VAL 51 2HG1 VAL 51 -3.090 0.785 8.536 456 3HG1 VAL 51 3HG1 VAL 51 -4.060 1.817 9.614 457 1HG2 VAL 51 1HG2 VAL 51 -6.648 0.644 8.005 458 2HG2 VAL 51 2HG2 VAL 51 -5.060 1.094 7.338 459 3HG2 VAL 51 3HG2 VAL 51 -5.659 -0.573 7.163 460 H LYS 52 H LYS 52 -2.099 -1.632 9.846 461 HA LYS 52 HA LYS 52 -2.741 -2.726 12.496 462 1HB LYS 52 1HB LYS 52 -0.652 -3.400 10.488 463 2HB LYS 52 2HB LYS 52 -0.146 -3.390 12.165 464 1HG LYS 52 1HG LYS 52 -2.737 -4.776 11.466 465 2HG LYS 52 2HG LYS 52 -1.233 -5.573 11.048 466 1HD LYS 52 1HD LYS 52 -1.994 -4.589 13.840 467 2HD LYS 52 2HD LYS 52 -2.047 -6.257 13.305 468 1HE LYS 52 1HE LYS 52 0.577 -5.177 12.699 469 2HE LYS 52 2HE LYS 52 0.198 -4.815 14.371 470 1HZ LYS 52 1HZ LYS 52 0.957 -6.899 14.603 471 2HZ LYS 52 2HZ LYS 52 -0.591 -7.304 14.273 472 3HZ LYS 52 3HZ LYS 52 0.542 -7.380 13.098 473 H ALA 53 H ALA 53 -0.702 -0.450 10.588 474 HA ALA 53 HA ALA 53 -0.778 1.463 12.659 475 1HB ALA 53 1HB ALA 53 1.958 1.236 12.671 476 2HB ALA 53 2HB ALA 53 0.885 0.583 13.933 477 3HB ALA 53 3HB ALA 53 1.465 -0.473 12.622 478 H ILE 54 H ILE 54 0.445 3.452 12.008 479 HA ILE 54 HA ILE 54 0.804 3.458 9.093 480 HB ILE 54 HB ILE 54 -1.128 4.741 10.182 481 1HG1 ILE 54 1HG1 ILE 54 0.157 6.808 8.644 482 2HG1 ILE 54 2HG1 ILE 54 0.529 5.250 7.934 483 1HG2 ILE 54 1HG2 ILE 54 0.898 6.891 10.705 484 2HG2 ILE 54 2HG2 ILE 54 -0.761 6.710 11.324 485 3HG2 ILE 54 3HG2 ILE 54 0.543 5.678 11.958 486 1HD1 ILE 54 1HD1 ILE 54 -2.200 6.478 8.447 487 2HD1 ILE 54 2HD1 ILE 54 -1.526 5.865 6.918 488 3HD1 ILE 54 3HD1 ILE 54 -2.013 4.726 8.196 489 H ARG 55 H ARG 55 2.580 4.656 8.211 490 HA ARG 55 HA ARG 55 4.461 5.680 10.125 491 1HB ARG 55 1HB ARG 55 4.919 3.230 8.412 492 2HB ARG 55 2HB ARG 55 6.274 4.311 8.673 493 1HG ARG 55 1HG ARG 55 4.856 3.816 11.188 494 2HG ARG 55 2HG ARG 55 5.323 2.303 10.439 495 1HD ARG 55 1HD ARG 55 7.679 3.319 10.141 496 2HD ARG 55 2HD ARG 55 7.150 4.636 11.169 497 HE ARG 55 HE ARG 55 6.478 2.336 12.602 498 1HH1 ARG 55 2HH2 ARG 55 9.440 3.651 11.232 499 2HH1 ARG 55 1HH2 ARG 55 10.466 2.917 12.419 500 1HH2 ARG 55 2HH1 ARG 55 7.830 1.368 14.169 501 2HH2 ARG 55 1HH1 ARG 55 9.544 1.610 14.101 502 H VAL 56 H VAL 56 4.941 7.693 9.306 503 HA VAL 56 HA VAL 56 4.766 8.058 6.418 504 HB VAL 56 HB VAL 56 5.109 10.135 8.583 505 1HG1 VAL 56 1HG1 VAL 56 3.746 10.537 5.930 506 2HG1 VAL 56 2HG1 VAL 56 4.539 11.727 6.990 507 3HG1 VAL 56 3HG1 VAL 56 5.522 10.584 6.042 508 1HG2 VAL 56 1HG2 VAL 56 2.688 10.433 8.572 509 2HG2 VAL 56 2HG2 VAL 56 2.508 9.105 7.401 510 3HG2 VAL 56 3HG2 VAL 56 3.102 8.767 9.044 511 H TYR 57 H TYR 57 6.497 8.945 5.184 512 HA TYR 57 HA TYR 57 9.085 8.953 6.578 513 1HB TYR 57 1HB TYR 57 8.068 7.624 4.013 514 2HB TYR 57 2HB TYR 57 9.769 8.024 4.148 515 HD1 TYR 57 HD1 TYR 57 7.043 6.066 5.776 516 HD2 TYR 57 HD2 TYR 57 11.262 6.599 5.303 517 HE1 TYR 57 HE1 TYR 57 7.465 3.883 7.010 518 HE2 TYR 57 HE2 TYR 57 11.669 4.415 6.539 519 HH TYR 57 HH TYR 57 8.952 2.572 7.886 520 H ASN 58 H ASN 58 10.793 9.794 4.703 521 HA ASN 58 HA ASN 58 9.970 12.464 4.331 522 1HB ASN 58 1HB ASN 58 12.434 10.940 4.279 523 2HB ASN 58 2HB ASN 58 12.340 11.850 2.784 524 1HD2 ASN 58 1HD2 ASN 58 12.773 11.940 6.183 525 2HD2 ASN 58 2HD2 ASN 58 13.055 13.637 6.381 526 H SER 59 H SER 59 10.714 9.610 2.215 527 HA SER 59 HA SER 59 8.910 10.620 0.255 528 1HB SER 59 1HB SER 59 11.068 11.786 -0.308 529 2HB SER 59 2HB SER 59 11.841 10.225 -0.494 530 HG SER 59 HG SER 59 11.143 11.065 -2.545 531 H PHE 60 H PHE 60 8.816 8.959 -1.674 532 HA PHE 60 HA PHE 60 8.367 6.441 -0.604 533 1HB PHE 60 1HB PHE 60 8.325 7.902 -3.167 534 2HB PHE 60 2HB PHE 60 8.894 6.265 -3.429 535 HD1 PHE 60 HD1 PHE 60 7.389 4.494 -1.930 536 HD2 PHE 60 HD2 PHE 60 6.082 8.190 -3.554 537 HE1 PHE 60 HE1 PHE 60 5.020 3.666 -1.908 538 HE2 PHE 60 HE2 PHE 60 3.713 7.362 -3.532 539 HZ PHE 60 HZ PHE 60 3.210 5.110 -2.709 540 H ARG 61 H ARG 61 11.211 7.834 -2.304 541 HA ARG 61 HA ARG 61 12.516 5.501 -2.838 542 1HB ARG 61 1HB ARG 61 13.068 8.098 -3.291 543 2HB ARG 61 2HB ARG 61 14.095 7.898 -1.885 544 1HG ARG 61 1HG ARG 61 14.587 5.608 -3.500 545 2HG ARG 61 2HG ARG 61 14.514 6.953 -4.621 546 1HD ARG 61 1HD ARG 61 16.085 7.409 -2.101 547 2HD ARG 61 2HD ARG 61 16.776 6.284 -3.253 548 HE ARG 61 HE ARG 61 16.098 8.392 -4.873 549 1HH1 ARG 61 2HH2 ARG 61 17.868 8.218 -1.837 550 2HH1 ARG 61 1HH2 ARG 61 18.851 9.603 -2.182 551 1HH2 ARG 61 2HH1 ARG 61 17.394 10.219 -5.329 552 2HH2 ARG 61 1HH1 ARG 61 18.579 10.748 -4.182 553 H GLU 62 H GLU 62 12.273 7.413 0.186 554 HA GLU 62 HA GLU 62 14.304 5.978 1.510 555 1HB GLU 62 1HB GLU 62 12.319 8.090 2.173 556 2HB GLU 62 2HB GLU 62 12.760 7.065 3.525 557 1HG GLU 62 1HG GLU 62 15.246 7.500 2.530 558 2HG GLU 62 2HG GLU 62 14.474 8.955 1.933 559 H MET 63 H MET 63 10.746 5.690 1.188 560 HA MET 63 HA MET 63 10.412 3.838 3.237 561 1HB MET 63 1HB MET 63 8.875 5.032 1.029 562 2HB MET 63 2HB MET 63 8.470 3.335 1.198 563 1HG MET 63 1HG MET 63 7.992 3.677 3.625 564 2HG MET 63 2HG MET 63 8.435 5.367 3.485 565 1HE MET 63 1HE MET 63 6.716 3.783 0.345 566 2HE MET 63 2HE MET 63 6.354 2.650 1.669 567 3HE MET 63 3HE MET 63 5.043 3.593 0.921 568 H LEU 64 H LEU 64 10.861 3.436 -0.341 569 HA LEU 64 HA LEU 64 10.731 0.626 -0.257 570 1HB LEU 64 1HB LEU 64 12.030 2.425 -2.307 571 2HB LEU 64 2HB LEU 64 11.584 0.745 -2.530 572 HG LEU 64 HG LEU 64 9.598 2.956 -1.944 573 1HD1 LEU 64 1HD1 LEU 64 9.124 2.196 -4.528 574 2HD1 LEU 64 2HD1 LEU 64 10.036 3.642 -4.031 575 3HD1 LEU 64 3HD1 LEU 64 10.901 2.144 -4.452 576 1HD2 LEU 64 1HD2 LEU 64 8.762 0.440 -3.261 577 2HD2 LEU 64 2HD2 LEU 64 9.237 0.309 -1.551 578 3HD2 LEU 64 3HD2 LEU 64 7.941 1.430 -2.031 579 H GLU 65 H GLU 65 13.275 3.007 0.375 580 HA GLU 65 HA GLU 65 15.367 1.116 0.121 581 1HB GLU 65 1HB GLU 65 15.184 3.929 1.255 582 2HB GLU 65 2HB GLU 65 16.667 3.001 1.354 583 1HG GLU 65 1HG GLU 65 15.316 3.143 -1.332 584 2HG GLU 65 2HG GLU 65 16.096 4.602 -0.753 585 H LYS 66 H LYS 66 13.462 2.555 2.826 586 HA LYS 66 HA LYS 66 14.943 1.038 4.774 587 1HB LYS 66 1HB LYS 66 13.422 3.396 4.784 588 2HB LYS 66 2HB LYS 66 12.480 2.256 5.724 589 1HG LYS 66 1HG LYS 66 13.869 2.761 7.455 590 2HG LYS 66 2HG LYS 66 15.059 1.761 6.645 591 1HD LYS 66 1HD LYS 66 16.354 3.642 6.629 592 2HD LYS 66 2HD LYS 66 15.362 4.140 5.273 593 1HE LYS 66 1HE LYS 66 14.824 5.967 6.524 594 2HE LYS 66 2HE LYS 66 13.787 4.894 7.444 595 1HZ LYS 66 1HZ LYS 66 15.084 5.305 9.155 596 2HZ LYS 66 2HZ LYS 66 16.322 4.533 8.421 597 3HZ LYS 66 3HZ LYS 66 16.153 6.149 8.253 598 H GLU 67 H GLU 67 11.418 1.222 3.891 599 HA GLU 67 HA GLU 67 10.804 -1.150 5.160 600 1HB GLU 67 1HB GLU 67 9.384 0.153 2.795 601 2HB GLU 67 2HB GLU 67 8.681 -1.038 3.871 602 1HG GLU 67 1HG GLU 67 9.857 1.526 4.994 603 2HG GLU 67 2HG GLU 67 8.239 1.521 4.320 604 H GLY 68 H GLY 68 11.405 -0.462 1.641 605 1HA GLY 68 1HA GLY 68 12.934 -2.183 0.644 606 2HA GLY 68 2HA GLY 68 11.793 -3.367 1.248 607 H LEU 69 H LEU 69 12.713 -1.881 -1.525 608 HA LEU 69 HA LEU 69 10.440 -0.838 -2.673 609 1HB LEU 69 1HB LEU 69 12.434 -0.503 -3.794 610 2HB LEU 69 2HB LEU 69 12.897 -2.191 -3.715 611 HG LEU 69 HG LEU 69 11.008 -2.682 -5.336 612 1HD1 LEU 69 1HD1 LEU 69 10.538 -0.507 -6.766 613 2HD1 LEU 69 2HD1 LEU 69 9.534 -0.937 -5.362 614 3HD1 LEU 69 3HD1 LEU 69 10.808 0.295 -5.200 615 1HD2 LEU 69 1HD2 LEU 69 13.535 -1.230 -5.929 616 2HD2 LEU 69 2HD2 LEU 69 13.000 -2.859 -6.407 617 3HD2 LEU 69 3HD2 LEU 69 12.373 -1.429 -7.263 618 H GLU 70 H GLU 70 11.672 -4.249 -2.980 619 HA GLU 70 HA GLU 70 9.290 -5.099 -4.179 620 1HB GLU 70 1HB GLU 70 11.817 -6.330 -3.205 621 2HB GLU 70 2HB GLU 70 10.435 -7.408 -3.192 622 1HG GLU 70 1HG GLU 70 9.975 -6.811 -5.596 623 2HG GLU 70 2HG GLU 70 11.400 -5.790 -5.599 624 H ASN 71 H ASN 71 9.971 -4.173 -0.989 625 HA ASN 71 HA ASN 71 8.174 -6.110 0.166 626 1HB ASN 71 1HB ASN 71 9.622 -3.759 1.495 627 2HB ASN 71 2HB ASN 71 8.825 -5.078 2.328 628 1HD2 ASN 71 1HD2 ASN 71 10.894 -5.350 3.358 629 2HD2 ASN 71 2HD2 ASN 71 12.138 -6.289 2.602 630 H VAL 72 H VAL 72 7.847 -3.376 -1.648 631 HA VAL 72 HA VAL 72 5.421 -2.573 -0.221 632 HB VAL 72 HB VAL 72 7.449 -0.685 -1.433 633 1HG1 VAL 72 1HG1 VAL 72 4.884 -0.158 -1.458 634 2HG1 VAL 72 2HG1 VAL 72 5.120 0.148 0.280 635 3HG1 VAL 72 3HG1 VAL 72 6.040 1.085 -0.922 636 1HG2 VAL 72 1HG2 VAL 72 8.507 -0.699 0.528 637 2HG2 VAL 72 2HG2 VAL 72 7.010 -0.165 1.331 638 3HG2 VAL 72 3HG2 VAL 72 7.358 -1.903 1.161 639 H LEU 73 H LEU 73 7.391 -2.489 -3.253 640 HA LEU 73 HA LEU 73 4.848 -2.667 -4.713 641 1HB LEU 73 1HB LEU 73 6.169 -0.466 -4.835 642 2HB LEU 73 2HB LEU 73 7.332 -1.360 -5.794 643 HG LEU 73 HG LEU 73 5.178 -2.003 -7.208 644 1HD1 LEU 73 1HD1 LEU 73 4.173 -0.011 -5.374 645 2HD1 LEU 73 2HD1 LEU 73 4.043 0.560 -7.055 646 3HD1 LEU 73 3HD1 LEU 73 3.306 -0.990 -6.582 647 1HD2 LEU 73 1HD2 LEU 73 5.795 0.674 -8.019 648 2HD2 LEU 73 2HD2 LEU 73 7.278 -0.115 -7.429 649 3HD2 LEU 73 3HD2 LEU 73 6.324 -0.870 -8.728 650 HA PRO 74 HA PRO 74 7.058 -6.409 -5.648 651 1HB PRO 74 1HB PRO 74 4.858 -8.012 -5.890 652 2HB PRO 74 2HB PRO 74 5.718 -7.786 -4.380 653 1HG PRO 74 1HG PRO 74 3.118 -6.658 -5.218 654 2HG PRO 74 2HG PRO 74 3.783 -6.799 -3.604 655 1HD PRO 74 1HD PRO 74 3.644 -4.420 -5.201 656 2HD PRO 74 2HD PRO 74 4.413 -4.588 -3.635 657 H GLY 75 H GLY 75 7.949 -6.744 -7.577 658 1HA GLY 75 1HA GLY 75 7.545 -7.500 -9.811 659 2HA GLY 75 2HA GLY 75 6.089 -6.527 -9.861 660 H VAL 76 H VAL 76 7.492 -4.248 -8.371 661 HA VAL 76 HA VAL 76 8.056 -2.589 -10.388 662 HB VAL 76 HB VAL 76 7.909 -1.979 -8.031 663 1HG1 VAL 76 1HG1 VAL 76 10.763 -2.580 -7.469 664 2HG1 VAL 76 2HG1 VAL 76 9.343 -2.627 -6.397 665 3HG1 VAL 76 3HG1 VAL 76 9.661 -3.977 -7.513 666 1HG2 VAL 76 1HG2 VAL 76 10.613 -0.976 -8.854 667 2HG2 VAL 76 2HG2 VAL 76 9.213 -0.633 -9.897 668 3HG2 VAL 76 3HG2 VAL 76 9.214 -0.089 -8.203 669 H LYS 77 H LYS 77 10.009 -1.797 -11.447 670 HA LYS 77 HA LYS 77 11.767 -4.002 -12.080 671 1HB LYS 77 1HB LYS 77 11.392 -1.233 -13.249 672 2HB LYS 77 2HB LYS 77 12.628 -2.347 -13.796 673 1HG LYS 77 1HG LYS 77 10.454 -4.011 -13.862 674 2HG LYS 77 2HG LYS 77 9.658 -2.478 -14.155 675 1HD LYS 77 1HD LYS 77 12.166 -3.135 -15.714 676 2HD LYS 77 2HD LYS 77 10.661 -3.905 -16.177 677 1HE LYS 77 1HE LYS 77 9.576 -1.659 -16.391 678 2HE LYS 77 2HE LYS 77 11.078 -0.887 -15.922 679 1HZ LYS 77 1HZ LYS 77 11.915 -2.413 -17.898 680 2HZ LYS 77 2HZ LYS 77 10.386 -2.149 -18.408 681 3HZ LYS 77 3HZ LYS 77 11.381 -0.886 -18.121 682 H SER 78 H SER 78 11.814 -0.828 -10.422 683 HA SER 78 HA SER 78 14.060 -1.616 -8.946 684 1HB SER 78 1HB SER 78 15.166 -0.990 -11.131 685 2HB SER 78 2HB SER 78 14.539 0.636 -10.947 686 HG SER 78 HG SER 78 16.103 -0.569 -8.853 687 H ILE 79 H ILE 79 14.875 0.445 -7.598 688 HA ILE 79 HA ILE 79 12.646 1.471 -6.296 689 HB ILE 79 HB ILE 79 15.531 2.359 -6.313 690 1HG1 ILE 79 1HG1 ILE 79 13.972 0.507 -4.488 691 2HG1 ILE 79 2HG1 ILE 79 15.246 0.053 -5.602 692 1HG2 ILE 79 1HG2 ILE 79 14.876 4.154 -5.177 693 2HG2 ILE 79 2HG2 ILE 79 13.197 3.570 -5.080 694 3HG2 ILE 79 3HG2 ILE 79 14.391 3.052 -3.866 695 1HD1 ILE 79 1HD1 ILE 79 15.457 1.604 -3.014 696 2HD1 ILE 79 2HD1 ILE 79 16.413 0.209 -3.570 697 3HD1 ILE 79 3HD1 ILE 79 16.696 1.819 -4.273 698 H GLU 80 H GLU 80 14.672 2.764 -8.960 699 HA GLU 80 HA GLU 80 13.579 5.325 -8.883 700 1HB GLU 80 1HB GLU 80 15.418 3.799 -10.547 701 2HB GLU 80 2HB GLU 80 14.350 4.748 -11.562 702 1HG GLU 80 1HG GLU 80 15.261 6.311 -9.251 703 2HG GLU 80 2HG GLU 80 16.623 5.679 -10.154 704 H GLU 81 H GLU 81 12.754 2.355 -10.778 705 HA GLU 81 HA GLU 81 10.768 3.570 -12.289 706 1HB GLU 81 1HB GLU 81 11.500 0.737 -11.576 707 2HB GLU 81 2HB GLU 81 9.947 1.018 -12.336 708 1HG GLU 81 1HG GLU 81 12.678 1.828 -13.436 709 2HG GLU 81 2HG GLU 81 11.635 0.567 -14.064 710 H GLY 82 H GLY 82 10.744 1.929 -9.088 711 1HA GLY 82 1HA GLY 82 8.038 1.643 -8.669 712 2HA GLY 82 2HA GLY 82 9.232 1.955 -7.425 713 H ILE 83 H ILE 83 10.140 4.546 -8.085 714 HA ILE 83 HA ILE 83 8.154 6.115 -6.934 715 HB ILE 83 HB ILE 83 10.798 6.556 -8.210 716 1HG1 ILE 83 1HG1 ILE 83 9.913 7.798 -5.645 717 2HG1 ILE 83 2HG1 ILE 83 10.061 6.052 -5.684 718 1HG2 ILE 83 1HG2 ILE 83 9.880 8.405 -9.238 719 2HG2 ILE 83 2HG2 ILE 83 8.686 8.671 -7.945 720 3HG2 ILE 83 3HG2 ILE 83 10.398 9.080 -7.674 721 1HD1 ILE 83 1HD1 ILE 83 12.180 8.142 -5.868 722 2HD1 ILE 83 2HD1 ILE 83 12.259 6.497 -5.194 723 3HD1 ILE 83 3HD1 ILE 83 12.389 6.746 -6.952 724 H GLN 84 H GLN 84 9.051 5.503 -10.358 725 HA GLN 84 HA GLN 84 7.530 7.505 -11.469 726 1HB GLN 84 1HB GLN 84 8.841 5.021 -12.361 727 2HB GLN 84 2HB GLN 84 7.409 5.388 -13.301 728 1HG GLN 84 1HG GLN 84 9.365 6.468 -14.327 729 2HG GLN 84 2HG GLN 84 8.266 7.694 -13.727 730 1HE2 GLN 84 1HE2 GLN 84 11.326 6.111 -13.352 731 2HE2 GLN 84 2HE2 GLN 84 12.036 7.186 -12.195 732 H VAL 85 H VAL 85 6.650 4.222 -10.324 733 HA VAL 85 HA VAL 85 4.085 4.173 -11.467 734 HB VAL 85 HB VAL 85 5.544 2.715 -9.304 735 1HG1 VAL 85 1HG1 VAL 85 3.311 3.009 -8.355 736 2HG1 VAL 85 2HG1 VAL 85 2.573 2.410 -9.860 737 3HG1 VAL 85 3HG1 VAL 85 3.559 1.319 -8.857 738 1HG2 VAL 85 1HG2 VAL 85 4.790 2.300 -12.089 739 2HG2 VAL 85 2HG2 VAL 85 6.006 1.460 -11.097 740 3HG2 VAL 85 3HG2 VAL 85 4.307 0.932 -11.058 741 H TYR 86 H TYR 86 5.358 5.277 -8.271 742 HA TYR 86 HA TYR 86 2.840 5.884 -7.185 743 1HB TYR 86 1HB TYR 86 5.605 7.170 -6.747 744 2HB TYR 86 2HB TYR 86 4.306 7.136 -5.572 745 HD1 TYR 86 HD1 TYR 86 7.174 6.153 -5.167 746 HD2 TYR 86 HD2 TYR 86 3.590 4.124 -6.327 747 HE1 TYR 86 HE1 TYR 86 8.088 3.979 -4.216 748 HE2 TYR 86 HE2 TYR 86 4.516 1.958 -5.372 749 HH TYR 86 HH TYR 86 6.322 1.477 -3.425 750 H ARG 87 H ARG 87 5.087 7.663 -9.316 751 HA ARG 87 HA ARG 87 3.860 10.147 -8.880 752 1HB ARG 87 1HB ARG 87 6.219 9.470 -9.943 753 2HB ARG 87 2HB ARG 87 5.322 9.469 -11.448 754 1HG ARG 87 1HG ARG 87 4.578 11.852 -10.014 755 2HG ARG 87 2HG ARG 87 6.326 11.734 -9.954 756 1HD ARG 87 1HD ARG 87 5.311 11.063 -12.632 757 2HD ARG 87 2HD ARG 87 4.772 12.653 -12.132 758 HE ARG 87 HE ARG 87 7.618 12.177 -11.610 759 1HH1 ARG 87 2HH2 ARG 87 5.261 13.279 -13.979 760 2HH1 ARG 87 1HH2 ARG 87 6.409 14.217 -14.874 761 1HH2 ARG 87 2HH1 ARG 87 9.133 13.415 -12.790 762 2HH2 ARG 87 1HH1 ARG 87 8.627 14.295 -14.193 763 H ARG 88 H ARG 88 3.416 7.430 -11.173 764 HA ARG 88 HA ARG 88 1.848 8.781 -13.003 765 1HB ARG 88 1HB ARG 88 2.275 5.893 -12.235 766 2HB ARG 88 2HB ARG 88 0.904 6.255 -13.265 767 1HG ARG 88 1HG ARG 88 3.167 7.729 -14.279 768 2HG ARG 88 2HG ARG 88 3.695 6.083 -13.991 769 1HD ARG 88 1HD ARG 88 1.319 5.535 -15.189 770 2HD ARG 88 2HD ARG 88 1.615 7.104 -15.911 771 HE ARG 88 HE ARG 88 3.994 5.449 -16.028 772 1HH1 ARG 88 2HH2 ARG 88 0.871 5.976 -17.563 773 2HH1 ARG 88 1HH2 ARG 88 1.369 5.328 -19.090 774 1HH2 ARG 88 2HH1 ARG 88 4.652 4.595 -18.043 775 2HH2 ARG 88 1HH1 ARG 88 3.534 4.538 -19.365 776 H PHE 89 H PHE 89 0.948 6.661 -10.185 777 HA PHE 89 HA PHE 89 -1.827 7.222 -10.500 778 1HB PHE 89 1HB PHE 89 -0.017 5.956 -8.367 779 2HB PHE 89 2HB PHE 89 -1.752 6.057 -8.140 780 HD1 PHE 89 HD1 PHE 89 0.817 3.989 -9.222 781 HD2 PHE 89 HD2 PHE 89 -3.141 5.127 -10.247 782 HE1 PHE 89 HE1 PHE 89 0.526 1.840 -10.486 783 HE2 PHE 89 HE2 PHE 89 -3.432 2.978 -11.511 784 HZ PHE 89 HZ PHE 89 -1.594 1.360 -11.616 785 H TYR 90 H TYR 90 0.749 8.183 -8.129 786 HA TYR 90 HA TYR 90 -1.103 10.194 -7.079 787 1HB TYR 90 1HB TYR 90 1.696 9.569 -6.055 788 2HB TYR 90 2HB TYR 90 0.280 10.007 -5.119 789 HD1 TYR 90 HD1 TYR 90 -1.703 8.005 -6.117 790 HD2 TYR 90 HD2 TYR 90 2.424 7.563 -5.080 791 HE1 TYR 90 HE1 TYR 90 -2.095 5.553 -5.572 792 HE2 TYR 90 HE2 TYR 90 2.018 5.112 -4.539 793 HH TYR 90 HH TYR 90 -0.856 3.852 -3.941 794 H ASP 91 H ASP 91 -0.579 12.408 -7.028 795 HA ASP 91 HA ASP 91 1.018 13.263 -9.148 796 1HB ASP 91 1HB ASP 91 0.356 15.123 -6.874 797 2HB ASP 91 2HB ASP 91 0.260 15.413 -8.600 798 H GLU 92 H GLU 92 3.126 14.282 -9.094 799 HA GLU 92 HA GLU 92 4.782 13.394 -7.004 800 1HB GLU 92 1HB GLU 92 6.537 14.770 -8.263 801 2HB GLU 92 2HB GLU 92 5.749 13.504 -9.183 802 1HG GLU 92 1HG GLU 92 4.753 14.990 -10.609 803 2HG GLU 92 2HG GLU 92 4.282 16.067 -9.309 804 H GLU 93 H GLU 93 3.053 16.402 -7.750 805 HA GLU 93 HA GLU 93 4.574 18.030 -6.048 806 1HB GLU 93 1HB GLU 93 2.505 18.380 -7.916 807 2HB GLU 93 2HB GLU 93 1.776 18.865 -6.397 808 1HG GLU 93 1HG GLU 93 3.581 20.470 -5.967 809 2HG GLU 93 2HG GLU 93 4.488 19.892 -7.351 810 H LYS 94 H LYS 94 1.351 16.392 -5.686 811 HA LYS 94 HA LYS 94 0.934 17.225 -3.054 812 1HB LYS 94 1HB LYS 94 -0.331 15.511 -5.008 813 2HB LYS 94 2HB LYS 94 -0.352 14.736 -3.436 814 1HG LYS 94 1HG LYS 94 -0.996 17.636 -3.344 815 2HG LYS 94 2HG LYS 94 -2.137 16.692 -4.281 816 1HD LYS 94 1HD LYS 94 -2.212 15.055 -2.272 817 2HD LYS 94 2HD LYS 94 -1.351 16.283 -1.366 818 1HE LYS 94 1HE LYS 94 -3.810 17.152 -2.876 819 2HE LYS 94 2HE LYS 94 -4.051 16.180 -1.438 820 1HZ LYS 94 1HZ LYS 94 -3.591 17.930 -0.211 821 2HZ LYS 94 2HZ LYS 94 -2.143 18.162 -0.929 822 3HZ LYS 94 3HZ LYS 94 -3.483 18.858 -1.550 823 H GLU 95 H GLU 95 2.679 14.432 -4.478 824 HA GLU 95 HA GLU 95 3.010 13.082 -2.067 825 1HB GLU 95 1HB GLU 95 3.329 12.166 -4.423 826 2HB GLU 95 2HB GLU 95 4.864 13.010 -4.486 827 1HG GLU 95 1HG GLU 95 4.443 11.329 -2.051 828 2HG GLU 95 2HG GLU 95 4.553 10.439 -3.556 829 H LYS 96 H LYS 96 5.217 15.307 -3.909 830 HA LYS 96 HA LYS 96 7.231 15.262 -1.946 831 1HB LYS 96 1HB LYS 96 6.600 16.979 -4.333 832 2HB LYS 96 2HB LYS 96 7.870 17.459 -3.225 833 1HG LYS 96 1HG LYS 96 8.894 15.145 -3.495 834 2HG LYS 96 2HG LYS 96 7.687 14.800 -4.717 835 1HD LYS 96 1HD LYS 96 8.818 17.329 -5.421 836 2HD LYS 96 2HD LYS 96 10.167 16.303 -4.975 837 1HE LYS 96 1HE LYS 96 8.626 14.570 -6.510 838 2HE LYS 96 2HE LYS 96 8.334 16.104 -7.306 839 1HZ LYS 96 1HZ LYS 96 10.688 14.548 -7.266 840 2HZ LYS 96 2HZ LYS 96 10.285 15.785 -8.253 841 3HZ LYS 96 3HZ LYS 96 11.000 16.086 -6.816 842 H LYS 97 H LYS 97 4.088 16.665 -2.017 843 HA LYS 97 HA LYS 97 4.706 18.953 -0.431 844 1HB LYS 97 1HB LYS 97 2.775 18.782 -2.007 845 2HB LYS 97 2HB LYS 97 2.035 17.610 -0.936 846 1HG LYS 97 1HG LYS 97 1.164 19.310 0.282 847 2HG LYS 97 2HG LYS 97 2.787 19.792 0.734 848 1HD LYS 97 1HD LYS 97 1.791 21.727 -0.284 849 2HD LYS 97 2HD LYS 97 2.919 21.094 -1.466 850 1HE LYS 97 1HE LYS 97 0.977 19.838 -2.543 851 2HE LYS 97 2HE LYS 97 -0.105 20.662 -1.437 852 1HZ LYS 97 1HZ LYS 97 -0.114 22.063 -3.197 853 2HZ LYS 97 2HZ LYS 97 1.119 22.735 -2.363 854 3HZ LYS 97 3HZ LYS 97 1.430 21.762 -3.637 855 H TYR 98 H TYR 98 2.975 15.826 0.251 856 HA TYR 98 HA TYR 98 3.456 16.291 3.089 857 1HB TYR 98 1HB TYR 98 1.804 14.424 1.301 858 2HB TYR 98 2HB TYR 98 1.980 14.062 3.007 859 HD1 TYR 98 HD1 TYR 98 1.162 17.078 0.910 860 HD2 TYR 98 HD2 TYR 98 0.212 14.714 4.347 861 HE1 TYR 98 HE1 TYR 98 -0.783 18.624 1.445 862 HE2 TYR 98 HE2 TYR 98 -1.730 16.268 4.871 863 HH TYR 98 HH TYR 98 -2.025 19.245 3.680 864 H GLY 99 H GLY 99 3.842 13.638 0.628 865 1HA GLY 99 1HA GLY 99 6.169 12.739 0.582 866 2HA GLY 99 2HA GLY 99 6.020 12.566 2.320 867 H VAL 100 H VAL 100 6.351 10.249 2.140 868 HA VAL 100 HA VAL 100 3.973 8.873 1.096 869 HB VAL 100 HB VAL 100 6.643 7.541 1.283 870 1HG1 VAL 100 1HG1 VAL 100 4.353 6.449 0.701 871 2HG1 VAL 100 2HG1 VAL 100 4.577 7.219 -0.888 872 3HG1 VAL 100 3HG1 VAL 100 5.779 6.051 -0.288 873 1HG2 VAL 100 1HG2 VAL 100 5.849 9.627 -0.731 874 2HG2 VAL 100 2HG2 VAL 100 7.422 9.342 0.052 875 3HG2 VAL 100 3HG2 VAL 100 6.856 8.248 -1.234 876 H VAL 101 H VAL 101 3.257 7.008 2.323 877 HA VAL 101 HA VAL 101 4.464 6.775 4.973 878 HB VAL 101 HB VAL 101 2.698 8.355 5.284 879 1HG1 VAL 101 1HG1 VAL 101 1.086 8.389 3.717 880 2HG1 VAL 101 2HG1 VAL 101 1.287 6.661 3.338 881 3HG1 VAL 101 3HG1 VAL 101 0.282 7.158 4.721 882 1HG2 VAL 101 1HG2 VAL 101 1.002 6.698 6.563 883 2HG2 VAL 101 2HG2 VAL 101 2.366 5.582 6.310 884 3HG2 VAL 101 3HG2 VAL 101 2.618 7.111 7.186 885 H ALA 102 H ALA 102 5.017 4.678 5.220 886 HA ALA 102 HA ALA 102 3.694 2.703 3.568 887 1HB ALA 102 1HB ALA 102 5.640 1.626 5.409 888 2HB ALA 102 2HB ALA 102 5.729 1.757 3.636 889 3HB ALA 102 3HB ALA 102 6.292 3.102 4.657 890 H ILE 103 H ILE 103 1.644 2.275 4.358 891 HA ILE 103 HA ILE 103 1.338 1.908 7.219 892 HB ILE 103 HB ILE 103 -1.084 1.565 6.506 893 1HG1 ILE 103 1HG1 ILE 103 -0.150 1.257 4.012 894 2HG1 ILE 103 2HG1 ILE 103 -1.770 1.823 4.368 895 1HG2 ILE 103 1HG2 ILE 103 -1.358 4.063 6.086 896 2HG2 ILE 103 2HG2 ILE 103 -0.507 3.580 7.573 897 3HG2 ILE 103 3HG2 ILE 103 0.418 4.162 6.167 898 1HD1 ILE 103 1HD1 ILE 103 -1.250 4.068 3.883 899 2HD1 ILE 103 2HD1 ILE 103 0.490 3.828 4.172 900 3HD1 ILE 103 3HD1 ILE 103 -0.263 3.188 2.691 901 H GLU 104 H GLU 104 1.130 -0.046 8.241 902 HA GLU 104 HA GLU 104 1.669 -2.334 6.580 903 1HB GLU 104 1HB GLU 104 2.656 -1.605 9.002 904 2HB GLU 104 2HB GLU 104 1.323 -2.605 9.546 905 1HG GLU 104 1HG GLU 104 3.179 -3.630 7.377 906 2HG GLU 104 2HG GLU 104 3.680 -3.708 9.054 907 H ILE 105 H ILE 105 -0.075 -3.318 5.643 908 HA ILE 105 HA ILE 105 -2.554 -3.395 7.203 909 HB ILE 105 HB ILE 105 -3.735 -3.506 5.215 910 1HG1 ILE 105 1HG1 ILE 105 -2.484 -5.321 4.156 911 2HG1 ILE 105 2HG1 ILE 105 -2.808 -4.022 3.027 912 1HG2 ILE 105 1HG2 ILE 105 -1.919 -1.810 3.807 913 2HG2 ILE 105 2HG2 ILE 105 -3.364 -1.372 4.749 914 3HG2 ILE 105 3HG2 ILE 105 -1.777 -1.473 5.549 915 1HD1 ILE 105 1HD1 ILE 105 -0.443 -3.114 3.739 916 2HD1 ILE 105 2HD1 ILE 105 -0.187 -4.767 4.350 917 3HD1 ILE 105 3HD1 ILE 105 -0.534 -4.499 2.625 918 H GLU 106 H GLU 106 -3.821 -5.439 7.133 919 HA GLU 106 HA GLU 106 -2.144 -7.747 6.614 920 1HB GLU 106 1HB GLU 106 -3.093 -8.740 8.814 921 2HB GLU 106 2HB GLU 106 -1.795 -7.570 8.944 922 1HG GLU 106 1HG GLU 106 -3.230 -5.849 9.695 923 2HG GLU 106 2HG GLU 106 -4.654 -6.581 8.985 924 HA PRO 107 HA PRO 107 -6.127 -8.552 4.835 925 1HB PRO 107 1HB PRO 107 -5.256 -10.257 2.885 926 2HB PRO 107 2HB PRO 107 -5.354 -8.521 2.666 927 1HG PRO 107 1HG PRO 107 -2.961 -10.204 3.095 928 2HG PRO 107 2HG PRO 107 -3.057 -8.573 2.461 929 1HD PRO 107 1HD PRO 107 -2.239 -9.344 5.100 930 2HD PRO 107 2HD PRO 107 -2.446 -7.709 4.503 931 H LEU 108 H LEU 108 -7.366 -9.615 6.266 932 HA LEU 108 HA LEU 108 -6.446 -12.314 6.902 933 1HB LEU 108 1HB LEU 108 -8.373 -12.061 8.616 934 2HB LEU 108 2HB LEU 108 -6.827 -11.285 8.892 935 HG LEU 108 HG LEU 108 -8.875 -9.652 7.485 936 1HD1 LEU 108 1HD1 LEU 108 -9.543 -11.034 9.904 937 2HD1 LEU 108 2HD1 LEU 108 -9.398 -9.293 10.246 938 3HD1 LEU 108 3HD1 LEU 108 -10.504 -9.861 8.973 939 1HD2 LEU 108 1HD2 LEU 108 -7.558 -8.537 9.837 940 2HD2 LEU 108 2HD2 LEU 108 -6.404 -9.198 8.653 941 3HD2 LEU 108 3HD2 LEU 108 -7.584 -7.963 8.152 942 H GLU 109 H GLU 109 -7.075 -12.630 4.451 943 HA GLU 109 HA GLU 109 -9.934 -13.164 4.333 944 1HB GLU 109 1HB GLU 109 -8.927 -11.659 2.578 945 2HB GLU 109 2HB GLU 109 -7.925 -12.994 2.044 946 1HG GLU 109 1HG GLU 109 -9.665 -13.418 0.613 947 2HG GLU 109 2HG GLU 109 -10.375 -14.217 2.002 948 H TYR 110 H TYR 110 -6.780 -14.606 4.580 949 HA TYR 110 HA TYR 110 -8.012 -17.239 4.323 950 1HB TYR 110 1HB TYR 110 -6.649 -16.185 2.225 951 2HB TYR 110 2HB TYR 110 -5.247 -16.598 3.193 952 HD1 TYR 110 HD1 TYR 110 -4.240 -18.630 2.732 953 HD2 TYR 110 HD2 TYR 110 -8.452 -18.234 2.099 954 HE1 TYR 110 HE1 TYR 110 -4.337 -21.011 1.847 955 HE2 TYR 110 HE2 TYR 110 -8.536 -20.617 1.216 956 HH TYR 110 HH TYR 110 -5.828 -22.289 0.285 Start of MODEL 9 1 HA MET 1 HA MET 1 -14.383 3.570 10.031 2 1HB MET 1 1HB MET 1 -16.569 2.480 11.591 3 2HB MET 1 2HB MET 1 -15.505 1.147 11.187 4 1HG MET 1 1HG MET 1 -13.686 3.128 11.911 5 2HG MET 1 2HG MET 1 -15.027 3.460 12.989 6 1HE MET 1 1HE MET 1 -12.059 1.658 14.573 7 2HE MET 1 2HE MET 1 -11.797 0.776 13.049 8 3HE MET 1 3HE MET 1 -12.091 2.531 13.022 9 H GLU 2 H GLU 2 -15.745 2.973 7.410 10 HA GLU 2 HA GLU 2 -14.327 0.487 6.935 11 1HB GLU 2 1HB GLU 2 -17.032 0.423 7.111 12 2HB GLU 2 2HB GLU 2 -16.890 0.894 5.429 13 1HG GLU 2 1HG GLU 2 -15.170 -1.067 5.223 14 2HG GLU 2 2HG GLU 2 -15.795 -1.608 6.767 15 H TRP 3 H TRP 3 -13.671 0.212 4.633 16 HA TRP 3 HA TRP 3 -13.968 2.561 2.962 17 1HB TRP 3 1HB TRP 3 -11.166 1.631 3.398 18 2HB TRP 3 2HB TRP 3 -11.762 3.174 2.818 19 HD1 TRP 3 HD1 TRP 3 -11.018 1.319 6.099 20 HE1 TRP 3 HE1 TRP 3 -11.031 2.964 8.162 21 HE3 TRP 3 HE3 TRP 3 -12.828 5.333 3.555 22 HZ2 TRP 3 HZ2 TRP 3 -11.781 5.698 8.491 23 HZ3 TRP 3 HZ3 TRP 3 -13.172 7.452 4.822 24 HH2 TRP 3 HH2 TRP 3 -12.680 7.673 7.206 25 H GLU 4 H GLU 4 -13.892 1.976 0.769 26 HA GLU 4 HA GLU 4 -13.334 -0.854 0.323 27 1HB GLU 4 1HB GLU 4 -15.007 -0.757 -1.516 28 2HB GLU 4 2HB GLU 4 -15.719 -0.367 0.037 29 1HG GLU 4 1HG GLU 4 -16.461 1.583 -0.845 30 2HG GLU 4 2HG GLU 4 -14.796 2.116 -0.973 31 H MET 5 H MET 5 -12.801 -1.271 -2.145 32 HA MET 5 HA MET 5 -11.736 0.819 -3.633 33 1HB MET 5 1HB MET 5 -10.024 -0.223 -1.519 34 2HB MET 5 2HB MET 5 -9.331 -0.687 -3.061 35 1HG MET 5 1HG MET 5 -9.204 1.611 -3.811 36 2HG MET 5 2HG MET 5 -10.238 2.172 -2.513 37 1HE MET 5 1HE MET 5 -9.810 2.065 -0.191 38 2HE MET 5 2HE MET 5 -8.215 2.246 0.578 39 3HE MET 5 3HE MET 5 -8.852 3.539 -0.466 40 H GLY 6 H GLY 6 -12.445 -0.058 -5.545 41 1HA GLY 6 1HA GLY 6 -12.239 -2.915 -6.004 42 2HA GLY 6 2HA GLY 6 -12.985 -1.711 -7.036 43 H LEU 7 H LEU 7 -10.854 -3.938 -7.453 44 HA LEU 7 HA LEU 7 -9.326 -2.473 -9.336 45 1HB LEU 7 1HB LEU 7 -7.117 -3.301 -8.195 46 2HB LEU 7 2HB LEU 7 -7.822 -1.741 -7.824 47 HG LEU 7 HG LEU 7 -8.997 -3.013 -5.862 48 1HD1 LEU 7 1HD1 LEU 7 -8.580 -5.210 -5.858 49 2HD1 LEU 7 2HD1 LEU 7 -7.163 -5.045 -6.923 50 3HD1 LEU 7 3HD1 LEU 7 -7.000 -4.761 -5.174 51 1HD2 LEU 7 1HD2 LEU 7 -6.488 -1.634 -6.140 52 2HD2 LEU 7 2HD2 LEU 7 -7.640 -1.631 -4.784 53 3HD2 LEU 7 3HD2 LEU 7 -6.363 -2.869 -4.864 54 H GLN 8 H GLN 8 -7.403 -4.173 -10.080 55 HA GLN 8 HA GLN 8 -8.906 -6.373 -10.978 56 1HB GLN 8 1HB GLN 8 -6.526 -5.034 -11.728 57 2HB GLN 8 2HB GLN 8 -6.021 -6.669 -11.352 58 1HG GLN 8 1HG GLN 8 -7.699 -7.599 -12.899 59 2HG GLN 8 2HG GLN 8 -8.367 -6.006 -13.192 60 1HE2 GLN 8 1HE2 GLN 8 -7.206 -7.948 -15.032 61 2HE2 GLN 8 2HE2 GLN 8 -5.904 -7.163 -15.862 62 H GLU 9 H GLU 9 -8.300 -8.695 -10.694 63 HA GLU 9 HA GLU 9 -8.089 -9.307 -8.000 64 1HB GLU 9 1HB GLU 9 -9.027 -10.653 -10.093 65 2HB GLU 9 2HB GLU 9 -7.410 -11.326 -10.142 66 1HG GLU 9 1HG GLU 9 -7.611 -12.098 -7.805 67 2HG GLU 9 2HG GLU 9 -9.173 -11.319 -7.647 68 H GLU 10 H GLU 10 -5.685 -9.236 -10.672 69 HA GLU 10 HA GLU 10 -3.646 -10.556 -9.435 70 1HB GLU 10 1HB GLU 10 -2.157 -9.049 -10.905 71 2HB GLU 10 2HB GLU 10 -3.372 -10.008 -11.726 72 1HG GLU 10 1HG GLU 10 -4.828 -8.122 -12.025 73 2HG GLU 10 2HG GLU 10 -3.972 -7.163 -10.834 74 H PHE 11 H PHE 11 -4.795 -7.191 -9.023 75 HA PHE 11 HA PHE 11 -2.552 -6.361 -7.502 76 1HB PHE 11 1HB PHE 11 -4.945 -5.321 -8.696 77 2HB PHE 11 2HB PHE 11 -5.132 -5.011 -6.981 78 HD1 PHE 11 HD1 PHE 11 -2.951 -3.974 -5.836 79 HD2 PHE 11 HD2 PHE 11 -3.893 -3.712 -9.966 80 HE1 PHE 11 HE1 PHE 11 -1.484 -1.948 -6.042 81 HE2 PHE 11 HE2 PHE 11 -2.425 -1.686 -10.171 82 HZ PHE 11 HZ PHE 11 -1.239 -0.828 -8.207 83 H LEU 12 H LEU 12 -5.632 -7.995 -6.800 84 HA LEU 12 HA LEU 12 -5.644 -7.420 -4.034 85 1HB LEU 12 1HB LEU 12 -7.024 -9.432 -5.791 86 2HB LEU 12 2HB LEU 12 -7.206 -9.469 -4.049 87 HG LEU 12 HG LEU 12 -7.873 -7.077 -5.785 88 1HD1 LEU 12 1HD1 LEU 12 -9.256 -9.271 -6.052 89 2HD1 LEU 12 2HD1 LEU 12 -9.937 -8.817 -4.471 90 3HD1 LEU 12 3HD1 LEU 12 -10.092 -7.711 -5.858 91 1HD2 LEU 12 1HD2 LEU 12 -9.233 -7.099 -3.274 92 2HD2 LEU 12 2HD2 LEU 12 -7.492 -7.325 -2.980 93 3HD2 LEU 12 3HD2 LEU 12 -8.063 -5.917 -3.907 94 H GLU 13 H GLU 13 -4.486 -10.222 -6.012 95 HA GLU 13 HA GLU 13 -3.711 -11.786 -3.901 96 1HB GLU 13 1HB GLU 13 -3.835 -12.400 -6.375 97 2HB GLU 13 2HB GLU 13 -2.290 -11.602 -6.591 98 1HG GLU 13 1HG GLU 13 -1.337 -13.127 -4.776 99 2HG GLU 13 2HG GLU 13 -2.860 -13.994 -4.781 100 H LEU 14 H LEU 14 -2.217 -8.902 -5.308 101 HA LEU 14 HA LEU 14 0.377 -9.327 -4.297 102 1HB LEU 14 1HB LEU 14 -1.146 -6.913 -5.251 103 2HB LEU 14 2HB LEU 14 0.483 -6.782 -4.617 104 HG LEU 14 HG LEU 14 -0.461 -8.151 -7.127 105 1HD1 LEU 14 1HD1 LEU 14 1.946 -6.379 -6.851 106 2HD1 LEU 14 2HD1 LEU 14 0.896 -6.666 -8.260 107 3HD1 LEU 14 3HD1 LEU 14 0.313 -5.672 -6.903 108 1HD2 LEU 14 1HD2 LEU 14 2.046 -8.736 -5.562 109 2HD2 LEU 14 2HD2 LEU 14 0.883 -9.866 -6.297 110 3HD2 LEU 14 3HD2 LEU 14 1.985 -8.926 -7.331 111 H ILE 15 H ILE 15 -2.571 -7.684 -3.025 112 HA ILE 15 HA ILE 15 -1.404 -6.588 -0.765 113 HB ILE 15 HB ILE 15 -4.091 -7.191 -1.757 114 1HG1 ILE 15 1HG1 ILE 15 -4.385 -4.895 -0.510 115 2HG1 ILE 15 2HG1 ILE 15 -2.633 -4.907 -0.461 116 1HG2 ILE 15 1HG2 ILE 15 -4.590 -8.327 0.195 117 2HG2 ILE 15 2HG2 ILE 15 -3.488 -7.337 1.183 118 3HG2 ILE 15 3HG2 ILE 15 -5.027 -6.652 0.610 119 1HD1 ILE 15 1HD1 ILE 15 -2.766 -3.991 -2.546 120 2HD1 ILE 15 2HD1 ILE 15 -3.113 -5.652 -3.087 121 3HD1 ILE 15 3HD1 ILE 15 -4.451 -4.523 -2.767 122 H LYS 16 H LYS 16 -2.593 -9.898 -1.456 123 HA LYS 16 HA LYS 16 -2.444 -10.797 1.205 124 1HB LYS 16 1HB LYS 16 -3.220 -11.814 -1.329 125 2HB LYS 16 2HB LYS 16 -2.010 -12.913 -0.699 126 1HG LYS 16 1HG LYS 16 -3.283 -12.983 1.493 127 2HG LYS 16 2HG LYS 16 -4.527 -11.987 0.764 128 1HD LYS 16 1HD LYS 16 -3.728 -14.454 -0.753 129 2HD LYS 16 2HD LYS 16 -4.608 -14.707 0.741 130 1HE LYS 16 1HE LYS 16 -6.455 -13.279 -0.035 131 2HE LYS 16 2HE LYS 16 -5.553 -12.816 -1.465 132 1HZ LYS 16 1HZ LYS 16 -5.854 -14.852 -2.395 133 2HZ LYS 16 2HZ LYS 16 -6.018 -15.642 -0.975 134 3HZ LYS 16 3HZ LYS 16 -7.249 -14.737 -1.552 135 H LEU 17 H LEU 17 -0.071 -10.357 -1.403 136 HA LEU 17 HA LEU 17 1.921 -11.903 -0.013 137 1HB LEU 17 1HB LEU 17 1.815 -10.336 -2.570 138 2HB LEU 17 2HB LEU 17 3.353 -10.843 -1.902 139 HG LEU 17 HG LEU 17 1.727 -13.148 -1.877 140 1HD1 LEU 17 1HD1 LEU 17 1.523 -12.942 -4.618 141 2HD1 LEU 17 2HD1 LEU 17 0.183 -12.812 -3.453 142 3HD1 LEU 17 3HD1 LEU 17 0.984 -11.341 -4.055 143 1HD2 LEU 17 1HD2 LEU 17 3.524 -14.077 -2.866 144 2HD2 LEU 17 2HD2 LEU 17 3.623 -12.820 -4.122 145 3HD2 LEU 17 3HD2 LEU 17 4.283 -12.510 -2.498 146 H ARG 18 H ARG 18 0.646 -8.670 0.030 147 HA ARG 18 HA ARG 18 3.071 -7.495 0.920 148 1HB ARG 18 1HB ARG 18 0.180 -6.539 0.753 149 2HB ARG 18 2HB ARG 18 1.423 -5.543 1.483 150 1HG ARG 18 1HG ARG 18 2.458 -5.097 -0.535 151 2HG ARG 18 2HG ARG 18 2.132 -6.694 -1.181 152 1HD ARG 18 1HD ARG 18 0.053 -6.089 -2.027 153 2HD ARG 18 2HD ARG 18 -0.269 -4.953 -0.733 154 HE ARG 18 HE ARG 18 1.794 -3.715 -2.041 155 1HH1 ARG 18 2HH2 ARG 18 -1.203 -5.145 -3.205 156 2HH1 ARG 18 1HH2 ARG 18 -1.335 -4.077 -4.563 157 1HH2 ARG 18 2HH1 ARG 18 1.621 -2.306 -3.832 158 2HH2 ARG 18 1HH1 ARG 18 0.282 -2.451 -4.922 159 H LYS 19 H LYS 19 1.055 -9.702 2.333 160 HA LYS 19 HA LYS 19 0.617 -8.493 4.871 161 1HB LYS 19 1HB LYS 19 -0.746 -10.344 3.787 162 2HB LYS 19 2HB LYS 19 0.562 -11.440 4.184 163 1HG LYS 19 1HG LYS 19 0.341 -10.520 6.623 164 2HG LYS 19 2HG LYS 19 -1.194 -9.856 6.098 165 1HD LYS 19 1HD LYS 19 -1.494 -12.093 7.134 166 2HD LYS 19 2HD LYS 19 -1.997 -12.102 5.455 167 1HE LYS 19 1HE LYS 19 -0.369 -13.593 4.852 168 2HE LYS 19 2HE LYS 19 0.868 -12.751 5.764 169 1HZ LYS 19 1HZ LYS 19 0.511 -14.848 6.745 170 2HZ LYS 19 2HZ LYS 19 -0.118 -13.748 7.775 171 3HZ LYS 19 3HZ LYS 19 -1.107 -14.642 6.831 172 H LYS 20 H LYS 20 3.303 -10.044 3.257 173 HA LYS 20 HA LYS 20 4.670 -10.261 5.848 174 1HB LYS 20 1HB LYS 20 4.368 -12.148 3.752 175 2HB LYS 20 2HB LYS 20 6.041 -11.630 3.716 176 1HG LYS 20 1HG LYS 20 6.352 -13.135 5.404 177 2HG LYS 20 2HG LYS 20 5.641 -11.911 6.437 178 1HD LYS 20 1HD LYS 20 3.977 -13.372 6.921 179 2HD LYS 20 2HD LYS 20 3.419 -13.211 5.267 180 1HE LYS 20 1HE LYS 20 4.562 -15.160 4.545 181 2HE LYS 20 2HE LYS 20 5.701 -15.109 5.876 182 1HZ LYS 20 1HZ LYS 20 2.916 -15.409 6.573 183 2HZ LYS 20 2HZ LYS 20 3.631 -16.693 5.861 184 3HZ LYS 20 3HZ LYS 20 4.238 -16.087 7.251 185 H LYS 21 H LYS 21 4.225 -8.261 3.209 186 HA LYS 21 HA LYS 21 7.007 -7.325 3.353 187 1HB LYS 21 1HB LYS 21 5.000 -7.195 1.089 188 2HB LYS 21 2HB LYS 21 6.488 -6.270 1.110 189 1HG LYS 21 1HG LYS 21 7.794 -8.108 0.677 190 2HG LYS 21 2HG LYS 21 6.875 -9.142 1.753 191 1HD LYS 21 1HD LYS 21 5.779 -10.046 -0.012 192 2HD LYS 21 2HD LYS 21 5.157 -8.470 -0.458 193 1HE LYS 21 1HE LYS 21 6.572 -8.337 -2.231 194 2HE LYS 21 2HE LYS 21 7.965 -8.640 -1.211 195 1HZ LYS 21 1HZ LYS 21 7.691 -10.930 -1.462 196 2HZ LYS 21 2HZ LYS 21 6.189 -10.799 -2.089 197 3HZ LYS 21 3HZ LYS 21 7.483 -10.325 -2.965 198 H ILE 22 H ILE 22 4.803 -5.231 1.752 199 HA ILE 22 HA ILE 22 3.728 -3.922 4.006 200 HB ILE 22 HB ILE 22 6.451 -3.339 3.455 201 1HG1 ILE 22 1HG1 ILE 22 4.808 -3.313 5.593 202 2HG1 ILE 22 2HG1 ILE 22 6.382 -2.542 5.561 203 1HG2 ILE 22 1HG2 ILE 22 6.490 -1.027 2.947 204 2HG2 ILE 22 2HG2 ILE 22 5.453 -1.792 1.720 205 3HG2 ILE 22 3HG2 ILE 22 4.720 -0.891 3.068 206 1HD1 ILE 22 1HD1 ILE 22 5.330 -0.387 4.890 207 2HD1 ILE 22 2HD1 ILE 22 3.731 -1.169 4.915 208 3HD1 ILE 22 3HD1 ILE 22 4.658 -0.989 6.424 209 H GLU 23 H GLU 23 2.970 -1.566 3.203 210 HA GLU 23 HA GLU 23 2.424 -1.686 0.367 211 1HB GLU 23 1HB GLU 23 0.471 -2.793 1.181 212 2HB GLU 23 2HB GLU 23 0.320 -1.715 2.554 213 1HG GLU 23 1HG GLU 23 -0.621 0.006 1.290 214 2HG GLU 23 2HG GLU 23 0.225 -0.454 -0.174 215 H GLY 24 H GLY 24 3.272 0.239 -0.315 216 1HA GLY 24 1HA GLY 24 3.425 2.511 1.433 217 2HA GLY 24 2HA GLY 24 3.939 2.405 -0.239 218 H ARG 25 H ARG 25 2.815 4.736 0.207 219 HA ARG 25 HA ARG 25 0.871 5.068 -1.513 220 1HB ARG 25 1HB ARG 25 -0.273 3.857 0.944 221 2HB ARG 25 2HB ARG 25 -1.086 5.336 0.473 222 1HG ARG 25 1HG ARG 25 -0.512 3.466 -1.778 223 2HG ARG 25 2HG ARG 25 -1.635 2.846 -0.584 224 1HD ARG 25 1HD ARG 25 -2.654 5.364 -0.872 225 2HD ARG 25 2HD ARG 25 -1.947 5.166 -2.463 226 HE ARG 25 HE ARG 25 -3.372 2.777 -1.878 227 1HH1 ARG 25 2HH2 ARG 25 -4.047 6.185 -2.434 228 2HH1 ARG 25 1HH2 ARG 25 -5.635 5.899 -3.065 229 1HH2 ARG 25 2HH1 ARG 25 -5.467 2.399 -2.709 230 2HH2 ARG 25 1HH1 ARG 25 -6.448 3.731 -3.222 231 H LEU 26 H LEU 26 0.470 7.307 -1.695 232 HA LEU 26 HA LEU 26 1.948 9.024 -0.077 233 1HB LEU 26 1HB LEU 26 1.619 10.199 -1.909 234 2HB LEU 26 2HB LEU 26 0.316 9.146 -2.424 235 HG LEU 26 HG LEU 26 -1.200 10.509 -0.866 236 1HD1 LEU 26 1HD1 LEU 26 -0.285 12.067 0.418 237 2HD1 LEU 26 2HD1 LEU 26 1.310 11.788 -0.321 238 3HD1 LEU 26 3HD1 LEU 26 0.188 12.966 -1.043 239 1HD2 LEU 26 1HD2 LEU 26 -1.564 12.235 -2.564 240 2HD2 LEU 26 2HD2 LEU 26 0.006 11.843 -3.306 241 3HD2 LEU 26 3HD2 LEU 26 -1.303 10.637 -3.301 242 H TYR 27 H TYR 27 1.405 10.428 1.621 243 HA TYR 27 HA TYR 27 -0.711 9.484 3.285 244 1HB TYR 27 1HB TYR 27 1.658 10.477 3.838 245 2HB TYR 27 2HB TYR 27 0.993 12.043 3.418 246 HD1 TYR 27 HD1 TYR 27 0.645 13.329 5.312 247 HD2 TYR 27 HD2 TYR 27 -0.293 9.157 5.458 248 HE1 TYR 27 HE1 TYR 27 -0.210 13.597 7.691 249 HE2 TYR 27 HE2 TYR 27 -1.144 9.440 7.837 250 HH TYR 27 HH TYR 27 -1.903 11.026 9.298 251 H ASP 28 H ASP 28 -2.393 9.939 1.473 252 HA ASP 28 HA ASP 28 -3.015 12.611 0.935 253 1HB ASP 28 1HB ASP 28 -4.966 10.272 0.876 254 2HB ASP 28 2HB ASP 28 -5.020 11.725 -0.104 255 H GLU 29 H GLU 29 -5.849 12.742 1.390 256 HA GLU 29 HA GLU 29 -5.837 13.403 4.144 257 1HB GLU 29 1HB GLU 29 -7.899 13.572 1.923 258 2HB GLU 29 2HB GLU 29 -8.330 13.952 3.578 259 1HG GLU 29 1HG GLU 29 -5.839 15.291 2.974 260 2HG GLU 29 2HG GLU 29 -6.960 15.617 1.667 261 H LYS 30 H LYS 30 -7.414 10.911 2.061 262 HA LYS 30 HA LYS 30 -8.957 9.806 4.147 263 1HB LYS 30 1HB LYS 30 -9.470 8.068 2.583 264 2HB LYS 30 2HB LYS 30 -9.444 9.590 1.716 265 1HG LYS 30 1HG LYS 30 -6.898 8.975 1.263 266 2HG LYS 30 2HG LYS 30 -7.410 7.346 1.655 267 1HD LYS 30 1HD LYS 30 -8.541 7.097 -0.316 268 2HD LYS 30 2HD LYS 30 -9.276 8.683 -0.201 269 1HE LYS 30 1HE LYS 30 -7.175 9.741 -1.011 270 2HE LYS 30 2HE LYS 30 -6.389 8.176 -1.067 271 1HZ LYS 30 1HZ LYS 30 -8.154 7.502 -2.638 272 2HZ LYS 30 2HZ LYS 30 -8.679 9.048 -2.681 273 3HZ LYS 30 3HZ LYS 30 -7.178 8.680 -3.209 274 H ARG 31 H ARG 31 -5.677 9.158 2.821 275 HA ARG 31 HA ARG 31 -5.218 6.814 4.139 276 1HB ARG 31 1HB ARG 31 -3.730 8.658 2.582 277 2HB ARG 31 2HB ARG 31 -2.834 8.539 4.083 278 1HG ARG 31 1HG ARG 31 -1.973 6.806 2.650 279 2HG ARG 31 2HG ARG 31 -2.949 5.997 3.859 280 1HD ARG 31 1HD ARG 31 -4.650 6.748 1.622 281 2HD ARG 31 2HD ARG 31 -3.249 5.892 1.011 282 HE ARG 31 HE ARG 31 -4.055 4.366 3.195 283 1HH1 ARG 31 2HH2 ARG 31 -5.627 5.519 0.265 284 2HH1 ARG 31 1HH2 ARG 31 -6.719 4.178 0.171 285 1HH2 ARG 31 2HH1 ARG 31 -5.496 2.597 3.071 286 2HH2 ARG 31 1HH1 ARG 31 -6.644 2.505 1.777 287 H ARG 32 H ARG 32 -4.498 10.224 5.176 288 HA ARG 32 HA ARG 32 -3.404 9.506 7.611 289 1HB ARG 32 1HB ARG 32 -3.827 11.915 8.227 290 2HB ARG 32 2HB ARG 32 -3.066 11.740 6.658 291 1HG ARG 32 1HG ARG 32 -5.171 12.107 5.496 292 2HG ARG 32 2HG ARG 32 -6.088 11.977 6.984 293 1HD ARG 32 1HD ARG 32 -4.006 14.154 6.462 294 2HD ARG 32 2HD ARG 32 -5.724 14.364 6.186 295 HE ARG 32 HE ARG 32 -5.136 13.395 8.879 296 1HH1 ARG 32 2HH2 ARG 32 -5.368 16.269 6.861 297 2HH1 ARG 32 1HH2 ARG 32 -5.661 17.337 8.193 298 1HH2 ARG 32 2HH1 ARG 32 -5.523 14.804 10.637 299 2HH2 ARG 32 1HH1 ARG 32 -5.750 16.498 10.355 300 H GLN 33 H GLN 33 -6.737 9.832 6.466 301 HA GLN 33 HA GLN 33 -7.862 10.110 9.045 302 1HB GLN 33 1HB GLN 33 -8.795 9.968 6.257 303 2HB GLN 33 2HB GLN 33 -9.869 9.120 7.352 304 1HG GLN 33 1HG GLN 33 -8.880 11.842 8.192 305 2HG GLN 33 2HG GLN 33 -10.082 11.772 6.918 306 1HE2 GLN 33 1HE2 GLN 33 -11.889 10.109 7.392 307 2HE2 GLN 33 2HE2 GLN 33 -12.622 10.206 8.958 308 H ILE 34 H ILE 34 -6.855 7.433 6.959 309 HA ILE 34 HA ILE 34 -8.400 5.453 8.288 310 HB ILE 34 HB ILE 34 -6.067 5.385 6.388 311 1HG1 ILE 34 1HG1 ILE 34 -8.919 4.461 5.980 312 2HG1 ILE 34 2HG1 ILE 34 -8.396 6.099 5.641 313 1HG2 ILE 34 1HG2 ILE 34 -6.174 3.015 6.285 314 2HG2 ILE 34 2HG2 ILE 34 -6.015 3.452 8.003 315 3HG2 ILE 34 3HG2 ILE 34 -7.598 2.962 7.352 316 1HD1 ILE 34 1HD1 ILE 34 -6.427 4.565 4.387 317 2HD1 ILE 34 2HD1 ILE 34 -7.915 3.628 4.110 318 3HD1 ILE 34 3HD1 ILE 34 -7.821 5.325 3.581 319 H LYS 35 H LYS 35 -8.053 4.526 10.234 320 HA LYS 35 HA LYS 35 -5.415 4.980 11.434 321 1HB LYS 35 1HB LYS 35 -6.437 5.067 13.536 322 2HB LYS 35 2HB LYS 35 -7.514 5.977 12.496 323 1HG LYS 35 1HG LYS 35 -9.062 4.606 13.568 324 2HG LYS 35 2HG LYS 35 -8.713 3.619 12.163 325 1HD LYS 35 1HD LYS 35 -8.107 1.952 13.577 326 2HD LYS 35 2HD LYS 35 -6.701 2.906 14.008 327 1HE LYS 35 1HE LYS 35 -7.582 2.793 16.126 328 2HE LYS 35 2HE LYS 35 -8.573 4.131 15.583 329 1HZ LYS 35 1HZ LYS 35 -9.351 1.307 15.357 330 2HZ LYS 35 2HZ LYS 35 -9.854 2.316 16.538 331 3HZ LYS 35 3HZ LYS 35 -10.282 2.596 14.987 332 HA PRO 36 HA PRO 36 -4.751 0.719 11.575 333 1HB PRO 36 1HB PRO 36 -3.345 0.364 13.892 334 2HB PRO 36 2HB PRO 36 -2.622 0.973 12.416 335 1HG PRO 36 1HG PRO 36 -3.359 2.453 14.867 336 2HG PRO 36 2HG PRO 36 -2.273 2.935 13.578 337 1HD PRO 36 1HD PRO 36 -4.953 3.864 14.001 338 2HD PRO 36 2HD PRO 36 -3.909 4.256 12.649 339 H GLY 37 H GLY 37 -6.942 0.049 11.574 340 1HA GLY 37 1HA GLY 37 -7.558 -1.786 13.529 341 2HA GLY 37 2HA GLY 37 -8.277 -0.284 14.074 342 H ASP 38 H ASP 38 -8.674 0.757 11.272 343 HA ASP 38 HA ASP 38 -11.234 -0.269 10.917 344 1HB ASP 38 1HB ASP 38 -9.535 1.231 8.872 345 2HB ASP 38 2HB ASP 38 -11.285 1.143 8.901 346 H VAL 39 H VAL 39 -11.596 -0.668 8.154 347 HA VAL 39 HA VAL 39 -9.685 -2.729 7.373 348 HB VAL 39 HB VAL 39 -12.674 -3.123 7.617 349 1HG1 VAL 39 1HG1 VAL 39 -11.582 -4.119 5.549 350 2HG1 VAL 39 2HG1 VAL 39 -10.643 -5.153 6.653 351 3HG1 VAL 39 3HG1 VAL 39 -12.419 -5.267 6.622 352 1HG2 VAL 39 1HG2 VAL 39 -10.338 -3.924 9.268 353 2HG2 VAL 39 2HG2 VAL 39 -12.031 -3.632 9.734 354 3HG2 VAL 39 3HG2 VAL 39 -11.568 -5.178 8.981 355 H ILE 40 H ILE 40 -9.546 -3.027 5.096 356 HA ILE 40 HA ILE 40 -11.079 -1.037 3.571 357 HB ILE 40 HB ILE 40 -8.258 -1.919 2.978 358 1HG1 ILE 40 1HG1 ILE 40 -8.940 0.739 4.214 359 2HG1 ILE 40 2HG1 ILE 40 -8.675 -0.663 5.232 360 1HG2 ILE 40 1HG2 ILE 40 -8.258 -0.437 1.255 361 2HG2 ILE 40 2HG2 ILE 40 -9.991 -0.842 1.264 362 3HG2 ILE 40 3HG2 ILE 40 -9.423 0.656 2.039 363 1HD1 ILE 40 1HD1 ILE 40 -6.442 -1.018 4.209 364 2HD1 ILE 40 2HD1 ILE 40 -6.711 0.376 3.135 365 3HD1 ILE 40 3HD1 ILE 40 -6.574 0.619 4.893 366 H SER 41 H SER 41 -12.669 -2.243 2.627 367 HA SER 41 HA SER 41 -12.098 -4.904 1.800 368 1HB SER 41 1HB SER 41 -14.367 -5.140 1.719 369 2HB SER 41 2HB SER 41 -14.375 -3.625 2.599 370 HG SER 41 HG SER 41 -15.646 -3.067 0.929 371 H PHE 42 H PHE 42 -12.136 -5.692 -0.417 372 HA PHE 42 HA PHE 42 -11.827 -3.567 -2.416 373 1HB PHE 42 1HB PHE 42 -10.226 -6.122 -1.840 374 2HB PHE 42 2HB PHE 42 -10.122 -5.324 -3.397 375 HD1 PHE 42 HD1 PHE 42 -9.823 -4.491 0.234 376 HD2 PHE 42 HD2 PHE 42 -8.424 -3.798 -3.712 377 HE1 PHE 42 HE1 PHE 42 -8.041 -2.969 1.133 378 HE2 PHE 42 HE2 PHE 42 -6.642 -2.276 -2.813 379 HZ PHE 42 HZ PHE 42 -6.472 -1.879 -0.402 380 H GLU 43 H GLU 43 -12.937 -3.876 -4.324 381 HA GLU 43 HA GLU 43 -14.388 -4.716 -5.705 382 1HB GLU 43 1HB GLU 43 -12.867 -7.264 -5.037 383 2HB GLU 43 2HB GLU 43 -14.126 -7.230 -6.255 384 1HG GLU 43 1HG GLU 43 -11.707 -5.366 -6.273 385 2HG GLU 43 2HG GLU 43 -11.774 -6.878 -7.157 386 H GLY 44 H GLY 44 -15.324 -4.325 -3.035 387 1HA GLY 44 1HA GLY 44 -17.450 -4.671 -2.188 388 2HA GLY 44 2HA GLY 44 -17.567 -6.195 -3.044 389 H GLY 45 H GLY 45 -15.681 -7.853 -2.312 390 1HA GLY 45 1HA GLY 45 -14.840 -7.665 0.410 391 2HA GLY 45 2HA GLY 45 -16.250 -8.693 0.244 392 H LYS 46 H LYS 46 -13.899 -8.317 -2.411 393 HA LYS 46 HA LYS 46 -13.453 -11.140 -2.407 394 1HB LYS 46 1HB LYS 46 -13.574 -9.296 -4.361 395 2HB LYS 46 2HB LYS 46 -11.839 -9.312 -4.121 396 1HG LYS 46 1HG LYS 46 -13.217 -11.982 -4.263 397 2HG LYS 46 2HG LYS 46 -13.102 -11.070 -5.754 398 1HD LYS 46 1HD LYS 46 -10.536 -10.779 -4.811 399 2HD LYS 46 2HD LYS 46 -10.936 -12.348 -4.140 400 1HE LYS 46 1HE LYS 46 -11.092 -11.542 -7.082 401 2HE LYS 46 2HE LYS 46 -9.932 -12.642 -6.365 402 1HZ LYS 46 1HZ LYS 46 -12.588 -13.148 -7.178 403 2HZ LYS 46 2HZ LYS 46 -11.392 -14.207 -6.840 404 3HZ LYS 46 3HZ LYS 46 -12.343 -13.638 -5.640 405 H LEU 47 H LEU 47 -11.691 -8.187 -1.406 406 HA LEU 47 HA LEU 47 -9.807 -9.936 -0.030 407 1HB LEU 47 1HB LEU 47 -9.083 -8.877 -2.398 408 2HB LEU 47 2HB LEU 47 -8.650 -7.545 -1.344 409 HG LEU 47 HG LEU 47 -6.756 -9.039 -1.787 410 1HD1 LEU 47 1HD1 LEU 47 -6.582 -7.831 0.229 411 2HD1 LEU 47 2HD1 LEU 47 -7.759 -8.879 1.057 412 3HD1 LEU 47 3HD1 LEU 47 -6.148 -9.508 0.637 413 1HD2 LEU 47 1HD2 LEU 47 -6.888 -11.255 -1.762 414 2HD2 LEU 47 2HD2 LEU 47 -7.518 -11.259 -0.097 415 3HD2 LEU 47 3HD2 LEU 47 -8.637 -11.092 -1.472 416 H LYS 48 H LYS 48 -10.083 -9.452 2.077 417 HA LYS 48 HA LYS 48 -10.718 -6.663 2.720 418 1HB LYS 48 1HB LYS 48 -11.140 -9.104 4.461 419 2HB LYS 48 2HB LYS 48 -11.750 -7.484 4.728 420 1HG LYS 48 1HG LYS 48 -12.447 -8.988 2.182 421 2HG LYS 48 2HG LYS 48 -13.343 -9.283 3.659 422 1HD LYS 48 1HD LYS 48 -13.202 -6.462 3.475 423 2HD LYS 48 2HD LYS 48 -13.486 -6.992 1.828 424 1HE LYS 48 1HE LYS 48 -15.189 -7.560 4.288 425 2HE LYS 48 2HE LYS 48 -15.661 -6.713 2.828 426 1HZ LYS 48 1HZ LYS 48 -16.404 -8.677 2.182 427 2HZ LYS 48 2HZ LYS 48 -14.852 -9.117 1.928 428 3HZ LYS 48 3HZ LYS 48 -15.591 -9.503 3.332 429 H VAL 49 H VAL 49 -9.316 -5.443 3.916 430 HA VAL 49 HA VAL 49 -7.099 -6.864 5.196 431 HB VAL 49 HB VAL 49 -5.517 -5.273 4.325 432 1HG1 VAL 49 1HG1 VAL 49 -6.484 -5.807 1.695 433 2HG1 VAL 49 2HG1 VAL 49 -5.236 -6.679 2.618 434 3HG1 VAL 49 3HG1 VAL 49 -6.941 -7.179 2.734 435 1HG2 VAL 49 1HG2 VAL 49 -7.950 -3.838 3.486 436 2HG2 VAL 49 2HG2 VAL 49 -6.324 -3.222 3.864 437 3HG2 VAL 49 3HG2 VAL 49 -6.669 -3.892 2.251 438 H ARG 50 H ARG 50 -6.172 -5.716 7.017 439 HA ARG 50 HA ARG 50 -7.847 -3.501 7.880 440 1HB ARG 50 1HB ARG 50 -8.644 -5.142 9.346 441 2HB ARG 50 2HB ARG 50 -7.152 -6.060 9.305 442 1HG ARG 50 1HG ARG 50 -6.032 -4.430 10.756 443 2HG ARG 50 2HG ARG 50 -7.404 -3.342 10.672 444 1HD ARG 50 1HD ARG 50 -8.817 -4.882 11.917 445 2HD ARG 50 2HD ARG 50 -7.646 -6.177 11.775 446 HE ARG 50 HE ARG 50 -6.459 -3.876 13.071 447 1HH1 ARG 50 2HH2 ARG 50 -8.631 -6.585 13.646 448 2HH1 ARG 50 1HH2 ARG 50 -8.314 -6.643 15.348 449 1HH2 ARG 50 2HH1 ARG 50 -6.041 -3.952 15.317 450 2HH2 ARG 50 1HH1 ARG 50 -6.831 -5.135 16.305 451 H VAL 51 H VAL 51 -6.573 -1.695 8.145 452 HA VAL 51 HA VAL 51 -3.876 -1.610 7.885 453 HB VAL 51 HB VAL 51 -5.698 0.176 9.507 454 1HG1 VAL 51 1HG1 VAL 51 -2.920 0.743 8.416 455 2HG1 VAL 51 2HG1 VAL 51 -3.992 1.921 9.211 456 3HG1 VAL 51 3HG1 VAL 51 -3.353 0.538 10.131 457 1HG2 VAL 51 1HG2 VAL 51 -5.243 1.560 7.260 458 2HG2 VAL 51 2HG2 VAL 51 -5.065 -0.084 6.603 459 3HG2 VAL 51 3HG2 VAL 51 -6.578 0.392 7.411 460 H LYS 52 H LYS 52 -2.160 -2.310 9.047 461 HA LYS 52 HA LYS 52 -2.686 -3.315 11.714 462 1HB LYS 52 1HB LYS 52 -0.911 -3.975 9.538 463 2HB LYS 52 2HB LYS 52 0.027 -3.687 10.989 464 1HG LYS 52 1HG LYS 52 -0.658 -6.054 10.879 465 2HG LYS 52 2HG LYS 52 -1.407 -5.275 12.258 466 1HD LYS 52 1HD LYS 52 -3.026 -5.087 9.778 467 2HD LYS 52 2HD LYS 52 -2.752 -6.735 10.304 468 1HE LYS 52 1HE LYS 52 -3.387 -5.634 12.711 469 2HE LYS 52 2HE LYS 52 -4.265 -4.529 11.672 470 1HZ LYS 52 1HZ LYS 52 -5.671 -6.324 12.172 471 2HZ LYS 52 2HZ LYS 52 -5.234 -6.528 10.612 472 3HZ LYS 52 3HZ LYS 52 -4.552 -7.446 11.777 473 H ALA 53 H ALA 53 -0.560 -0.922 10.026 474 HA ALA 53 HA ALA 53 -0.648 0.778 12.315 475 1HB ALA 53 1HB ALA 53 1.061 -0.403 13.327 476 2HB ALA 53 2HB ALA 53 1.732 -0.972 11.779 477 3HB ALA 53 3HB ALA 53 2.019 0.702 12.312 478 H ILE 54 H ILE 54 0.113 2.911 11.797 479 HA ILE 54 HA ILE 54 0.456 3.262 8.910 480 HB ILE 54 HB ILE 54 -1.366 4.363 10.602 481 1HG1 ILE 54 1HG1 ILE 54 -0.300 5.001 7.904 482 2HG1 ILE 54 2HG1 ILE 54 -1.918 4.545 8.402 483 1HG2 ILE 54 1HG2 ILE 54 0.606 6.598 10.161 484 2HG2 ILE 54 2HG2 ILE 54 -0.837 6.557 11.201 485 3HG2 ILE 54 3HG2 ILE 54 0.611 5.626 11.652 486 1HD1 ILE 54 1HD1 ILE 54 -2.095 6.838 7.763 487 2HD1 ILE 54 2HD1 ILE 54 -2.061 6.868 9.542 488 3HD1 ILE 54 3HD1 ILE 54 -0.596 7.275 8.617 489 H ARG 55 H ARG 55 2.198 4.441 8.067 490 HA ARG 55 HA ARG 55 4.080 5.458 10.000 491 1HB ARG 55 1HB ARG 55 4.672 3.295 7.936 492 2HB ARG 55 2HB ARG 55 5.950 4.322 8.554 493 1HG ARG 55 1HG ARG 55 4.280 3.265 10.732 494 2HG ARG 55 2HG ARG 55 4.948 1.971 9.756 495 1HD ARG 55 1HD ARG 55 7.241 3.010 10.011 496 2HD ARG 55 2HD ARG 55 6.546 4.229 11.061 497 HE ARG 55 HE ARG 55 6.297 2.616 12.775 498 1HH1 ARG 55 2HH2 ARG 55 7.269 1.076 9.764 499 2HH1 ARG 55 1HH2 ARG 55 7.637 -0.443 10.512 500 1HH2 ARG 55 2HH1 ARG 55 6.782 0.613 13.762 501 2HH2 ARG 55 1HH1 ARG 55 7.358 -0.708 12.800 502 H VAL 56 H VAL 56 5.428 7.161 9.133 503 HA VAL 56 HA VAL 56 4.746 7.923 6.378 504 HB VAL 56 HB VAL 56 5.157 9.723 8.774 505 1HG1 VAL 56 1HG1 VAL 56 5.962 10.772 6.731 506 2HG1 VAL 56 2HG1 VAL 56 4.443 10.370 5.894 507 3HG1 VAL 56 3HG1 VAL 56 4.436 11.532 7.242 508 1HG2 VAL 56 1HG2 VAL 56 3.031 8.691 9.030 509 2HG2 VAL 56 2HG2 VAL 56 2.720 10.299 8.333 510 3HG2 VAL 56 3HG2 VAL 56 2.660 8.853 7.297 511 H TYR 57 H TYR 57 6.445 8.812 5.116 512 HA TYR 57 HA TYR 57 9.092 8.721 6.381 513 1HB TYR 57 1HB TYR 57 7.951 7.431 3.844 514 2HB TYR 57 2HB TYR 57 9.667 7.775 3.940 515 HD1 TYR 57 HD1 TYR 57 11.127 6.511 5.445 516 HD2 TYR 57 HD2 TYR 57 6.937 5.676 5.223 517 HE1 TYR 57 HE1 TYR 57 11.495 4.305 6.654 518 HE2 TYR 57 HE2 TYR 57 7.319 3.473 6.433 519 HH TYR 57 HH TYR 57 9.689 2.788 8.220 520 H ASN 58 H ASN 58 10.735 9.546 4.453 521 HA ASN 58 HA ASN 58 9.931 12.227 4.110 522 1HB ASN 58 1HB ASN 58 12.336 11.221 4.467 523 2HB ASN 58 2HB ASN 58 12.316 10.901 2.744 524 1HD2 ASN 58 1HD2 ASN 58 11.771 12.731 1.312 525 2HD2 ASN 58 2HD2 ASN 58 12.368 14.309 1.704 526 H SER 59 H SER 59 10.564 9.362 1.973 527 HA SER 59 HA SER 59 8.683 10.347 0.090 528 1HB SER 59 1HB SER 59 11.638 10.520 -0.449 529 2HB SER 59 2HB SER 59 10.606 10.009 -1.770 530 HG SER 59 HG SER 59 11.048 12.515 -0.919 531 H PHE 60 H PHE 60 8.875 8.720 -2.002 532 HA PHE 60 HA PHE 60 8.357 6.184 -0.980 533 1HB PHE 60 1HB PHE 60 9.108 7.279 -3.754 534 2HB PHE 60 2HB PHE 60 8.541 5.637 -3.522 535 HD1 PHE 60 HD1 PHE 60 7.558 8.896 -4.309 536 HD2 PHE 60 HD2 PHE 60 6.241 5.458 -2.200 537 HE1 PHE 60 HE1 PHE 60 5.184 9.688 -4.501 538 HE2 PHE 60 HE2 PHE 60 3.867 6.250 -2.391 539 HZ PHE 60 HZ PHE 60 3.367 8.356 -3.539 540 H ARG 61 H ARG 61 11.303 7.635 -2.451 541 HA ARG 61 HA ARG 61 12.694 5.329 -2.868 542 1HB ARG 61 1HB ARG 61 13.325 7.742 -3.506 543 2HB ARG 61 2HB ARG 61 13.907 7.950 -1.867 544 1HG ARG 61 1HG ARG 61 15.898 7.187 -2.694 545 2HG ARG 61 2HG ARG 61 15.171 5.599 -2.546 546 1HD ARG 61 1HD ARG 61 15.933 5.641 -4.793 547 2HD ARG 61 2HD ARG 61 14.224 5.996 -4.944 548 HE ARG 61 HE ARG 61 14.745 8.186 -5.624 549 1HH1 ARG 61 2HH2 ARG 61 17.607 6.656 -4.263 550 2HH1 ARG 61 1HH2 ARG 61 18.678 7.923 -4.762 551 1HH2 ARG 61 2HH1 ARG 61 16.157 9.857 -6.283 552 2HH2 ARG 61 1HH1 ARG 61 17.847 9.756 -5.919 553 H GLU 62 H GLU 62 12.539 7.440 0.081 554 HA GLU 62 HA GLU 62 14.350 5.941 1.557 555 1HB GLU 62 1HB GLU 62 12.254 8.010 2.159 556 2HB GLU 62 2HB GLU 62 12.878 7.085 3.510 557 1HG GLU 62 1HG GLU 62 14.233 9.109 3.229 558 2HG GLU 62 2HG GLU 62 15.214 7.706 2.856 559 H MET 63 H MET 63 10.861 5.604 0.923 560 HA MET 63 HA MET 63 10.407 3.799 3.035 561 1HB MET 63 1HB MET 63 8.960 4.895 0.653 562 2HB MET 63 2HB MET 63 8.426 3.299 1.140 563 1HG MET 63 1HG MET 63 8.086 4.140 3.484 564 2HG MET 63 2HG MET 63 8.594 5.738 2.977 565 1HE MET 63 1HE MET 63 6.648 3.705 0.220 566 2HE MET 63 2HE MET 63 6.424 2.818 1.747 567 3HE MET 63 3HE MET 63 5.036 3.617 0.971 568 H LEU 64 H LEU 64 10.913 3.419 -0.539 569 HA LEU 64 HA LEU 64 10.782 0.590 -0.416 570 1HB LEU 64 1HB LEU 64 11.939 2.382 -2.555 571 2HB LEU 64 2HB LEU 64 11.520 0.690 -2.729 572 HG LEU 64 HG LEU 64 9.476 2.800 -2.012 573 1HD1 LEU 64 1HD1 LEU 64 10.884 2.711 -4.415 574 2HD1 LEU 64 2HD1 LEU 64 9.347 1.884 -4.764 575 3HD1 LEU 64 3HD1 LEU 64 9.338 3.537 -4.104 576 1HD2 LEU 64 1HD2 LEU 64 8.990 0.159 -3.382 577 2HD2 LEU 64 2HD2 LEU 64 9.074 0.295 -1.609 578 3HD2 LEU 64 3HD2 LEU 64 7.842 1.206 -2.513 579 H GLU 65 H GLU 65 13.273 3.023 0.141 580 HA GLU 65 HA GLU 65 15.421 1.224 -0.250 581 1HB GLU 65 1HB GLU 65 15.128 4.008 0.902 582 2HB GLU 65 2HB GLU 65 16.640 3.144 1.097 583 1HG GLU 65 1HG GLU 65 15.332 3.383 -1.637 584 2HG GLU 65 2HG GLU 65 16.334 4.676 -1.009 585 H LYS 66 H LYS 66 13.744 2.642 2.640 586 HA LYS 66 HA LYS 66 15.265 0.935 4.396 587 1HB LYS 66 1HB LYS 66 13.973 3.413 4.624 588 2HB LYS 66 2HB LYS 66 13.011 2.324 5.603 589 1HG LYS 66 1HG LYS 66 14.581 2.614 7.224 590 2HG LYS 66 2HG LYS 66 15.609 1.565 6.270 591 1HD LYS 66 1HD LYS 66 17.058 3.308 6.117 592 2HD LYS 66 2HD LYS 66 15.919 4.047 5.010 593 1HE LYS 66 1HE LYS 66 16.115 5.742 6.608 594 2HE LYS 66 2HE LYS 66 14.719 4.884 7.229 595 1HZ LYS 66 1HZ LYS 66 15.853 4.387 9.032 596 2HZ LYS 66 2HZ LYS 66 17.075 3.708 8.188 597 3HZ LYS 66 3HZ LYS 66 17.096 5.308 8.512 598 H GLU 67 H GLU 67 11.710 1.449 3.812 599 HA GLU 67 HA GLU 67 10.926 -0.828 5.100 600 1HB GLU 67 1HB GLU 67 9.672 1.247 3.785 601 2HB GLU 67 2HB GLU 67 9.315 -0.090 2.709 602 1HG GLU 67 1HG GLU 67 8.633 0.158 5.665 603 2HG GLU 67 2HG GLU 67 7.526 -0.030 4.319 604 H GLY 68 H GLY 68 11.745 -0.326 1.609 605 1HA GLY 68 1HA GLY 68 13.035 -2.186 0.636 606 2HA GLY 68 2HA GLY 68 11.841 -3.270 1.321 607 H LEU 69 H LEU 69 12.778 -2.089 -1.553 608 HA LEU 69 HA LEU 69 10.472 -0.979 -2.674 609 1HB LEU 69 1HB LEU 69 12.503 -0.647 -3.779 610 2HB LEU 69 2HB LEU 69 12.909 -2.352 -3.765 611 HG LEU 69 HG LEU 69 10.886 -2.670 -5.332 612 1HD1 LEU 69 1HD1 LEU 69 9.618 -0.870 -5.664 613 2HD1 LEU 69 2HD1 LEU 69 10.840 0.220 -4.966 614 3HD1 LEU 69 3HD1 LEU 69 10.938 -0.246 -6.682 615 1HD2 LEU 69 1HD2 LEU 69 12.677 -3.080 -6.596 616 2HD2 LEU 69 2HD2 LEU 69 12.490 -1.414 -7.196 617 3HD2 LEU 69 3HD2 LEU 69 13.613 -1.758 -5.858 618 H GLU 70 H GLU 70 11.762 -4.373 -2.917 619 HA GLU 70 HA GLU 70 9.405 -5.294 -4.105 620 1HB GLU 70 1HB GLU 70 11.950 -6.440 -3.108 621 2HB GLU 70 2HB GLU 70 10.595 -7.546 -3.002 622 1HG GLU 70 1HG GLU 70 10.085 -7.205 -5.403 623 2HG GLU 70 2HG GLU 70 11.361 -6.011 -5.530 624 H ASN 71 H ASN 71 10.078 -4.306 -0.916 625 HA ASN 71 HA ASN 71 8.268 -6.216 0.259 626 1HB ASN 71 1HB ASN 71 9.971 -3.943 1.392 627 2HB ASN 71 2HB ASN 71 8.830 -4.826 2.386 628 1HD2 ASN 71 1HD2 ASN 71 11.152 -5.688 -0.180 629 2HD2 ASN 71 2HD2 ASN 71 11.985 -6.933 0.688 630 H VAL 72 H VAL 72 7.826 -3.660 -1.680 631 HA VAL 72 HA VAL 72 5.472 -2.741 -0.211 632 HB VAL 72 HB VAL 72 7.536 -0.996 -1.566 633 1HG1 VAL 72 1HG1 VAL 72 5.251 0.238 -0.127 634 2HG1 VAL 72 2HG1 VAL 72 6.100 0.760 -1.602 635 3HG1 VAL 72 3HG1 VAL 72 4.873 -0.526 -1.689 636 1HG2 VAL 72 1HG2 VAL 72 8.391 -0.608 0.460 637 2HG2 VAL 72 2HG2 VAL 72 6.782 -0.250 1.133 638 3HG2 VAL 72 3HG2 VAL 72 7.371 -1.929 1.080 639 H LEU 73 H LEU 73 7.294 -2.617 -3.353 640 HA LEU 73 HA LEU 73 4.706 -3.073 -4.668 641 1HB LEU 73 1HB LEU 73 5.886 -0.797 -4.935 642 2HB LEU 73 2HB LEU 73 7.034 -1.660 -5.939 643 HG LEU 73 HG LEU 73 4.627 -2.452 -7.021 644 1HD1 LEU 73 1HD1 LEU 73 3.140 -1.052 -5.963 645 2HD1 LEU 73 2HD1 LEU 73 4.311 0.282 -5.832 646 3HD1 LEU 73 3HD1 LEU 73 3.556 -0.090 -7.401 647 1HD2 LEU 73 1HD2 LEU 73 6.846 -0.677 -7.724 648 2HD2 LEU 73 2HD2 LEU 73 6.004 -1.910 -8.692 649 3HD2 LEU 73 3HD2 LEU 73 5.325 -0.271 -8.554 650 HA PRO 74 HA PRO 74 7.107 -6.699 -5.580 651 1HB PRO 74 1HB PRO 74 5.003 -8.440 -5.682 652 2HB PRO 74 2HB PRO 74 5.904 -8.110 -4.215 653 1HG PRO 74 1HG PRO 74 3.208 -7.172 -4.986 654 2HG PRO 74 2HG PRO 74 3.942 -7.215 -3.396 655 1HD PRO 74 1HD PRO 74 3.595 -4.907 -5.063 656 2HD PRO 74 2HD PRO 74 4.431 -4.973 -3.524 657 H GLY 75 H GLY 75 7.977 -6.779 -7.545 658 1HA GLY 75 1HA GLY 75 7.507 -7.734 -9.742 659 2HA GLY 75 2HA GLY 75 6.011 -6.821 -9.758 660 H VAL 76 H VAL 76 7.418 -4.473 -8.342 661 HA VAL 76 HA VAL 76 7.818 -2.814 -10.397 662 HB VAL 76 HB VAL 76 7.849 -2.385 -7.900 663 1HG1 VAL 76 1HG1 VAL 76 9.533 -3.204 -6.689 664 2HG1 VAL 76 2HG1 VAL 76 10.381 -3.743 -8.159 665 3HG1 VAL 76 3HG1 VAL 76 10.639 -2.096 -7.536 666 1HG2 VAL 76 1HG2 VAL 76 8.052 -0.505 -9.301 667 2HG2 VAL 76 2HG2 VAL 76 9.428 -0.375 -8.180 668 3HG2 VAL 76 3HG2 VAL 76 9.684 -0.967 -9.839 669 H LYS 77 H LYS 77 9.687 -1.970 -11.566 670 HA LYS 77 HA LYS 77 11.468 -4.127 -12.290 671 1HB LYS 77 1HB LYS 77 10.966 -1.372 -13.444 672 2HB LYS 77 2HB LYS 77 12.180 -2.473 -14.064 673 1HG LYS 77 1HG LYS 77 10.133 -4.204 -14.087 674 2HG LYS 77 2HG LYS 77 9.171 -2.740 -14.118 675 1HD LYS 77 1HD LYS 77 9.510 -2.679 -16.362 676 2HD LYS 77 2HD LYS 77 11.172 -2.237 -16.026 677 1HE LYS 77 1HE LYS 77 11.559 -4.837 -15.759 678 2HE LYS 77 2HE LYS 77 10.040 -4.991 -16.619 679 1HZ LYS 77 1HZ LYS 77 12.570 -3.963 -17.566 680 2HZ LYS 77 2HZ LYS 77 11.469 -4.889 -18.338 681 3HZ LYS 77 3HZ LYS 77 11.219 -3.283 -18.182 682 H SER 78 H SER 78 11.489 -1.008 -10.561 683 HA SER 78 HA SER 78 13.847 -1.708 -9.248 684 1HB SER 78 1HB SER 78 14.076 0.190 -11.588 685 2HB SER 78 2HB SER 78 15.085 0.457 -10.181 686 HG SER 78 HG SER 78 16.084 -0.913 -11.840 687 H ILE 79 H ILE 79 14.614 0.250 -7.825 688 HA ILE 79 HA ILE 79 12.450 1.235 -6.438 689 HB ILE 79 HB ILE 79 15.285 2.264 -6.595 690 1HG1 ILE 79 1HG1 ILE 79 13.943 0.176 -4.865 691 2HG1 ILE 79 2HG1 ILE 79 15.295 -0.038 -5.959 692 1HG2 ILE 79 1HG2 ILE 79 13.695 2.651 -4.130 693 2HG2 ILE 79 2HG2 ILE 79 14.898 3.707 -4.909 694 3HG2 ILE 79 3HG2 ILE 79 13.228 3.655 -5.523 695 1HD1 ILE 79 1HD1 ILE 79 15.358 0.705 -3.183 696 2HD1 ILE 79 2HD1 ILE 79 16.733 0.459 -4.286 697 3HD1 ILE 79 3HD1 ILE 79 15.996 2.072 -4.129 698 H GLU 80 H GLU 80 14.376 2.720 -9.100 699 HA GLU 80 HA GLU 80 13.166 5.204 -8.952 700 1HB GLU 80 1HB GLU 80 14.963 3.768 -10.747 701 2HB GLU 80 2HB GLU 80 13.831 4.735 -11.671 702 1HG GLU 80 1HG GLU 80 14.756 6.282 -9.390 703 2HG GLU 80 2HG GLU 80 16.144 5.632 -10.241 704 H GLU 81 H GLU 81 12.317 2.210 -10.779 705 HA GLU 81 HA GLU 81 10.260 3.367 -12.242 706 1HB GLU 81 1HB GLU 81 11.190 0.613 -11.584 707 2HB GLU 81 2HB GLU 81 9.502 0.733 -12.037 708 1HG GLU 81 1HG GLU 81 11.287 2.329 -13.784 709 2HG GLU 81 2HG GLU 81 11.653 0.615 -13.811 710 H GLY 82 H GLY 82 10.405 1.884 -8.979 711 1HA GLY 82 1HA GLY 82 7.715 1.546 -8.447 712 2HA GLY 82 2HA GLY 82 8.953 1.921 -7.265 713 H ILE 83 H ILE 83 9.794 4.490 -7.961 714 HA ILE 83 HA ILE 83 7.793 6.059 -6.837 715 HB ILE 83 HB ILE 83 10.376 6.605 -8.253 716 1HG1 ILE 83 1HG1 ILE 83 10.294 7.759 -5.696 717 2HG1 ILE 83 2HG1 ILE 83 9.467 6.224 -5.519 718 1HG2 ILE 83 1HG2 ILE 83 9.544 8.588 -8.917 719 2HG2 ILE 83 2HG2 ILE 83 8.181 8.527 -7.774 720 3HG2 ILE 83 3HG2 ILE 83 9.792 9.037 -7.213 721 1HD1 ILE 83 1HD1 ILE 83 11.503 5.234 -5.444 722 2HD1 ILE 83 2HD1 ILE 83 11.690 5.639 -7.167 723 3HD1 ILE 83 3HD1 ILE 83 12.312 6.746 -5.920 724 H GLN 84 H GLN 84 8.706 5.414 -10.254 725 HA GLN 84 HA GLN 84 7.147 7.372 -11.390 726 1HB GLN 84 1HB GLN 84 8.345 4.778 -12.281 727 2HB GLN 84 2HB GLN 84 7.066 5.421 -13.292 728 1HG GLN 84 1HG GLN 84 9.595 6.914 -12.449 729 2HG GLN 84 2HG GLN 84 9.283 6.245 -14.038 730 1HE2 GLN 84 1HE2 GLN 84 9.658 9.024 -12.812 731 2HE2 GLN 84 2HE2 GLN 84 8.388 9.986 -13.491 732 H VAL 85 H VAL 85 6.330 4.086 -10.208 733 HA VAL 85 HA VAL 85 3.769 3.974 -11.355 734 HB VAL 85 HB VAL 85 5.289 2.555 -9.222 735 1HG1 VAL 85 1HG1 VAL 85 3.141 1.098 -8.951 736 2HG1 VAL 85 2HG1 VAL 85 3.305 2.598 -8.007 737 3HG1 VAL 85 3HG1 VAL 85 2.287 2.572 -9.467 738 1HG2 VAL 85 1HG2 VAL 85 3.684 1.084 -11.222 739 2HG2 VAL 85 2HG2 VAL 85 4.940 2.148 -11.899 740 3HG2 VAL 85 3HG2 VAL 85 5.383 0.879 -10.733 741 H TYR 86 H TYR 86 4.947 4.973 -8.073 742 HA TYR 86 HA TYR 86 2.389 5.644 -7.119 743 1HB TYR 86 1HB TYR 86 5.198 6.726 -6.454 744 2HB TYR 86 2HB TYR 86 3.820 6.789 -5.373 745 HD1 TYR 86 HD1 TYR 86 6.730 5.418 -5.228 746 HD2 TYR 86 HD2 TYR 86 2.734 4.000 -5.794 747 HE1 TYR 86 HE1 TYR 86 7.386 3.162 -4.256 748 HE2 TYR 86 HE2 TYR 86 3.403 1.749 -4.820 749 HH TYR 86 HH TYR 86 4.969 0.712 -3.599 750 H ARG 87 H ARG 87 4.886 7.431 -8.960 751 HA ARG 87 HA ARG 87 3.685 9.931 -8.508 752 1HB ARG 87 1HB ARG 87 6.133 9.284 -9.305 753 2HB ARG 87 2HB ARG 87 5.435 9.307 -10.912 754 1HG ARG 87 1HG ARG 87 4.577 11.674 -9.442 755 2HG ARG 87 2HG ARG 87 6.323 11.540 -9.370 756 1HD ARG 87 1HD ARG 87 5.201 10.975 -12.064 757 2HD ARG 87 2HD ARG 87 4.889 12.605 -11.502 758 HE ARG 87 HE ARG 87 7.570 12.251 -10.913 759 1HH1 ARG 87 2HH2 ARG 87 5.652 11.865 -13.838 760 2HH1 ARG 87 1HH2 ARG 87 6.965 12.246 -14.902 761 1HH2 ARG 87 2HH1 ARG 87 9.302 12.753 -12.316 762 2HH2 ARG 87 1HH1 ARG 87 9.055 12.754 -14.030 763 H ARG 88 H ARG 88 3.306 7.294 -10.860 764 HA ARG 88 HA ARG 88 2.107 8.731 -12.883 765 1HB ARG 88 1HB ARG 88 2.258 5.866 -12.034 766 2HB ARG 88 2HB ARG 88 0.897 6.253 -13.067 767 1HG ARG 88 1HG ARG 88 2.981 7.593 -14.338 768 2HG ARG 88 2HG ARG 88 3.794 6.171 -13.713 769 1HD ARG 88 1HD ARG 88 1.137 5.725 -15.052 770 2HD ARG 88 2HD ARG 88 2.474 6.180 -16.090 771 HE ARG 88 HE ARG 88 2.106 3.619 -14.827 772 1HH1 ARG 88 2HH2 ARG 88 4.628 5.920 -15.677 773 2HH1 ARG 88 1HH2 ARG 88 5.867 4.715 -15.791 774 1HH2 ARG 88 2HH1 ARG 88 3.740 2.028 -14.977 775 2HH2 ARG 88 1HH1 ARG 88 5.358 2.486 -15.391 776 H PHE 89 H PHE 89 0.654 6.821 -10.146 777 HA PHE 89 HA PHE 89 -1.981 7.719 -10.804 778 1HB PHE 89 1HB PHE 89 -0.703 6.291 -8.395 779 2HB PHE 89 2HB PHE 89 -2.434 6.472 -8.598 780 HD1 PHE 89 HD1 PHE 89 0.088 4.194 -8.886 781 HD2 PHE 89 HD2 PHE 89 -3.168 5.704 -11.151 782 HE1 PHE 89 HE1 PHE 89 0.020 2.063 -10.210 783 HE2 PHE 89 HE2 PHE 89 -3.235 3.573 -12.475 784 HZ PHE 89 HZ PHE 89 -1.641 1.778 -11.988 785 H TYR 90 H TYR 90 0.398 8.312 -8.127 786 HA TYR 90 HA TYR 90 -1.315 10.450 -7.139 787 1HB TYR 90 1HB TYR 90 1.437 9.756 -6.071 788 2HB TYR 90 2HB TYR 90 -0.019 10.112 -5.163 789 HD1 TYR 90 HD1 TYR 90 2.121 7.753 -5.000 790 HD2 TYR 90 HD2 TYR 90 -1.864 8.090 -6.518 791 HE1 TYR 90 HE1 TYR 90 1.754 5.268 -4.607 792 HE2 TYR 90 HE2 TYR 90 -2.218 5.604 -6.120 793 HH TYR 90 HH TYR 90 -1.401 3.839 -4.935 794 H ASP 91 H ASP 91 -0.721 12.637 -7.079 795 HA ASP 91 HA ASP 91 0.947 13.457 -9.154 796 1HB ASP 91 1HB ASP 91 0.297 15.290 -6.848 797 2HB ASP 91 2HB ASP 91 0.293 15.640 -8.565 798 H GLU 92 H GLU 92 3.068 14.487 -9.030 799 HA GLU 92 HA GLU 92 4.662 13.482 -6.923 800 1HB GLU 92 1HB GLU 92 5.361 13.761 -9.361 801 2HB GLU 92 2HB GLU 92 5.449 15.488 -9.078 802 1HG GLU 92 1HG GLU 92 7.186 15.205 -7.389 803 2HG GLU 92 2HG GLU 92 6.978 13.465 -7.381 804 H GLU 93 H GLU 93 2.988 16.506 -7.635 805 HA GLU 93 HA GLU 93 4.569 18.081 -5.905 806 1HB GLU 93 1HB GLU 93 2.628 18.556 -7.861 807 2HB GLU 93 2HB GLU 93 1.815 19.028 -6.382 808 1HG GLU 93 1HG GLU 93 3.312 20.762 -5.935 809 2HG GLU 93 2HG GLU 93 4.653 19.961 -6.729 810 H LYS 94 H LYS 94 1.232 16.651 -5.682 811 HA LYS 94 HA LYS 94 0.709 17.485 -3.096 812 1HB LYS 94 1HB LYS 94 -0.480 15.794 -5.082 813 2HB LYS 94 2HB LYS 94 -0.523 14.951 -3.547 814 1HG LYS 94 1HG LYS 94 -1.216 17.826 -3.320 815 2HG LYS 94 2HG LYS 94 -2.311 16.933 -4.356 816 1HD LYS 94 1HD LYS 94 -1.939 15.218 -2.154 817 2HD LYS 94 2HD LYS 94 -1.996 16.812 -1.429 818 1HE LYS 94 1HE LYS 94 -4.130 17.264 -2.741 819 2HE LYS 94 2HE LYS 94 -4.093 15.601 -3.292 820 1HZ LYS 94 1HZ LYS 94 -4.341 16.536 -0.524 821 2HZ LYS 94 2HZ LYS 94 -5.435 15.687 -1.391 822 3HZ LYS 94 3HZ LYS 94 -4.048 14.975 -0.905 823 H GLU 95 H GLU 95 2.403 14.553 -4.333 824 HA GLU 95 HA GLU 95 2.651 13.359 -1.834 825 1HB GLU 95 1HB GLU 95 2.989 12.343 -4.189 826 2HB GLU 95 2HB GLU 95 4.602 13.026 -4.144 827 1HG GLU 95 1HG GLU 95 3.809 11.486 -1.708 828 2HG GLU 95 2HG GLU 95 3.956 10.536 -3.173 829 H LYS 96 H LYS 96 4.891 15.468 -3.755 830 HA LYS 96 HA LYS 96 6.953 15.424 -1.854 831 1HB LYS 96 1HB LYS 96 6.252 17.081 -4.249 832 2HB LYS 96 2HB LYS 96 7.485 17.677 -3.156 833 1HG LYS 96 1HG LYS 96 7.648 14.787 -3.999 834 2HG LYS 96 2HG LYS 96 8.070 16.004 -5.188 835 1HD LYS 96 1HD LYS 96 9.260 16.007 -2.382 836 2HD LYS 96 2HD LYS 96 9.988 15.107 -3.698 837 1HE LYS 96 1HE LYS 96 10.235 17.186 -5.028 838 2HE LYS 96 2HE LYS 96 9.415 18.109 -3.785 839 1HZ LYS 96 1HZ LYS 96 11.238 18.135 -2.537 840 2HZ LYS 96 2HZ LYS 96 11.632 16.577 -2.831 841 3HZ LYS 96 3HZ LYS 96 12.045 17.740 -3.901 842 H LYS 97 H LYS 97 3.813 16.814 -1.789 843 HA LYS 97 HA LYS 97 4.489 19.099 -0.219 844 1HB LYS 97 1HB LYS 97 2.457 18.747 -1.766 845 2HB LYS 97 2HB LYS 97 1.761 17.826 -0.449 846 1HG LYS 97 1HG LYS 97 2.675 20.103 0.866 847 2HG LYS 97 2HG LYS 97 2.186 20.754 -0.685 848 1HD LYS 97 1HD LYS 97 0.211 18.828 0.332 849 2HD LYS 97 2HD LYS 97 0.494 20.116 1.486 850 1HE LYS 97 1HE LYS 97 0.216 21.752 -0.522 851 2HE LYS 97 2HE LYS 97 -0.417 20.380 -1.409 852 1HZ LYS 97 1HZ LYS 97 -1.844 21.961 0.213 853 2HZ LYS 97 2HZ LYS 97 -2.301 20.470 -0.271 854 3HZ LYS 97 3HZ LYS 97 -1.572 20.671 1.176 855 H TYR 98 H TYR 98 2.790 15.964 0.503 856 HA TYR 98 HA TYR 98 3.403 16.407 3.324 857 1HB TYR 98 1HB TYR 98 1.667 14.486 1.658 858 2HB TYR 98 2HB TYR 98 1.826 14.310 3.395 859 HD1 TYR 98 HD1 TYR 98 -0.309 15.470 0.975 860 HD2 TYR 98 HD2 TYR 98 1.470 16.773 4.641 861 HE1 TYR 98 HE1 TYR 98 -2.214 17.118 1.322 862 HE2 TYR 98 HE2 TYR 98 -0.441 18.416 4.976 863 HH TYR 98 HH TYR 98 -2.725 18.680 4.295 864 H GLY 99 H GLY 99 3.590 13.767 0.827 865 1HA GLY 99 1HA GLY 99 5.909 12.824 0.676 866 2HA GLY 99 2HA GLY 99 5.799 12.600 2.410 867 H VAL 100 H VAL 100 6.083 10.278 2.101 868 HA VAL 100 HA VAL 100 3.688 8.992 0.985 869 HB VAL 100 HB VAL 100 6.363 7.676 1.381 870 1HG1 VAL 100 1HG1 VAL 100 5.567 6.150 -0.338 871 2HG1 VAL 100 2HG1 VAL 100 4.365 6.264 0.970 872 3HG1 VAL 100 3HG1 VAL 100 4.096 7.126 -0.564 873 1HG2 VAL 100 1HG2 VAL 100 5.747 9.809 -0.484 874 2HG2 VAL 100 2HG2 VAL 100 7.290 8.976 -0.180 875 3HG2 VAL 100 3HG2 VAL 100 6.129 8.301 -1.348 876 H VAL 101 H VAL 101 2.905 7.060 2.140 877 HA VAL 101 HA VAL 101 3.802 6.938 4.921 878 HB VAL 101 HB VAL 101 1.939 8.409 5.003 879 1HG1 VAL 101 1HG1 VAL 101 -0.311 7.712 4.096 880 2HG1 VAL 101 2HG1 VAL 101 0.916 8.093 2.864 881 3HG1 VAL 101 3HG1 VAL 101 0.521 6.397 3.232 882 1HG2 VAL 101 1HG2 VAL 101 1.532 5.603 5.938 883 2HG2 VAL 101 2HG2 VAL 101 1.678 7.114 6.868 884 3HG2 VAL 101 3HG2 VAL 101 0.148 6.718 6.048 885 H ALA 102 H ALA 102 4.612 4.904 5.059 886 HA ALA 102 HA ALA 102 3.522 2.819 3.405 887 1HB ALA 102 1HB ALA 102 5.372 1.946 5.469 888 2HB ALA 102 2HB ALA 102 5.578 1.960 3.702 889 3HB ALA 102 3HB ALA 102 5.984 3.406 4.657 890 H ILE 103 H ILE 103 1.435 2.278 4.016 891 HA ILE 103 HA ILE 103 0.961 1.820 6.855 892 HB ILE 103 HB ILE 103 -0.872 2.038 4.469 893 1HG1 ILE 103 1HG1 ILE 103 -1.417 3.878 6.599 894 2HG1 ILE 103 2HG1 ILE 103 0.290 3.968 6.215 895 1HG2 ILE 103 1HG2 ILE 103 -2.414 2.139 6.792 896 2HG2 ILE 103 2HG2 ILE 103 -2.357 0.825 5.593 897 3HG2 ILE 103 3HG2 ILE 103 -1.316 0.759 7.035 898 1HD1 ILE 103 1HD1 ILE 103 -1.840 3.995 4.041 899 2HD1 ILE 103 2HD1 ILE 103 -1.279 5.482 4.841 900 3HD1 ILE 103 3HD1 ILE 103 -0.133 4.485 3.912 901 H GLU 104 H GLU 104 1.410 -0.164 7.636 902 HA GLU 104 HA GLU 104 1.823 -2.329 5.917 903 1HB GLU 104 1HB GLU 104 2.678 -1.791 8.384 904 2HB GLU 104 2HB GLU 104 1.259 -2.702 8.860 905 1HG GLU 104 1HG GLU 104 2.011 -4.686 7.736 906 2HG GLU 104 2HG GLU 104 3.200 -3.807 6.796 907 H ILE 105 H ILE 105 0.184 -3.262 4.759 908 HA ILE 105 HA ILE 105 -2.428 -3.470 6.048 909 HB ILE 105 HB ILE 105 -3.221 -4.000 3.771 910 1HG1 ILE 105 1HG1 ILE 105 -1.638 -3.471 1.869 911 2HG1 ILE 105 2HG1 ILE 105 -0.322 -3.539 3.024 912 1HG2 ILE 105 1HG2 ILE 105 -1.690 -1.435 3.553 913 2HG2 ILE 105 2HG2 ILE 105 -3.384 -1.797 3.145 914 3HG2 ILE 105 3HG2 ILE 105 -2.897 -1.625 4.848 915 1HD1 ILE 105 1HD1 ILE 105 -2.119 -5.865 3.258 916 2HD1 ILE 105 2HD1 ILE 105 -1.389 -5.716 1.641 917 3HD1 ILE 105 3HD1 ILE 105 -0.348 -5.813 3.082 918 H GLU 106 H GLU 106 -3.539 -5.486 6.214 919 HA GLU 106 HA GLU 106 -2.047 -7.831 5.491 920 1HB GLU 106 1HB GLU 106 -1.092 -7.681 7.631 921 2HB GLU 106 2HB GLU 106 -2.527 -6.972 8.343 922 1HG GLU 106 1HG GLU 106 -3.576 -9.025 8.640 923 2HG GLU 106 2HG GLU 106 -2.843 -9.733 7.215 924 HA PRO 107 HA PRO 107 -6.332 -8.634 4.807 925 1HB PRO 107 1HB PRO 107 -5.993 -10.636 2.977 926 2HB PRO 107 2HB PRO 107 -6.050 -8.939 2.542 927 1HG PRO 107 1HG PRO 107 -3.708 -10.736 2.691 928 2HG PRO 107 2HG PRO 107 -3.859 -9.196 1.869 929 1HD PRO 107 1HD PRO 107 -2.524 -9.688 4.360 930 2HD PRO 107 2HD PRO 107 -2.776 -8.131 3.595 931 H LEU 108 H LEU 108 -7.590 -9.588 6.265 932 HA LEU 108 HA LEU 108 -6.492 -12.040 7.401 933 1HB LEU 108 1HB LEU 108 -8.430 -11.625 9.042 934 2HB LEU 108 2HB LEU 108 -6.989 -10.632 9.129 935 HG LEU 108 HG LEU 108 -9.164 -9.560 7.423 936 1HD1 LEU 108 1HD1 LEU 108 -9.833 -10.580 9.985 937 2HD1 LEU 108 2HD1 LEU 108 -9.804 -8.805 10.107 938 3HD1 LEU 108 3HD1 LEU 108 -10.828 -9.596 8.885 939 1HD2 LEU 108 1HD2 LEU 108 -8.150 -7.609 7.827 940 2HD2 LEU 108 2HD2 LEU 108 -8.047 -7.913 9.578 941 3HD2 LEU 108 3HD2 LEU 108 -6.820 -8.594 8.482 942 H GLU 109 H GLU 109 -6.943 -13.243 5.373 943 HA GLU 109 HA GLU 109 -9.630 -14.271 5.526 944 1HB GLU 109 1HB GLU 109 -9.328 -12.368 3.691 945 2HB GLU 109 2HB GLU 109 -8.561 -13.647 2.770 946 1HG GLU 109 1HG GLU 109 -10.657 -14.252 2.123 947 2HG GLU 109 2HG GLU 109 -10.851 -14.913 3.734 948 H TYR 110 H TYR 110 -8.938 -15.558 2.741 949 HA TYR 110 HA TYR 110 -7.402 -17.740 3.918 950 1HB TYR 110 1HB TYR 110 -9.725 -17.596 2.449 951 2HB TYR 110 2HB TYR 110 -8.586 -17.668 1.119 952 HD1 TYR 110 HD1 TYR 110 -9.277 -19.453 4.353 953 HD2 TYR 110 HD2 TYR 110 -8.061 -19.760 0.263 954 HE1 TYR 110 HE1 TYR 110 -9.183 -21.985 4.563 955 HE2 TYR 110 HE2 TYR 110 -7.971 -22.290 0.486 956 HH TYR 110 HH TYR 110 -7.822 -23.953 2.040 Start of MODEL 10 1 HA MET 1 HA MET 1 -17.040 2.886 9.901 2 1HB MET 1 1HB MET 1 -15.546 1.824 12.331 3 2HB MET 1 2HB MET 1 -14.633 2.592 11.047 4 1HG MET 1 1HG MET 1 -15.633 4.699 11.400 5 2HG MET 1 2HG MET 1 -17.081 4.014 12.110 6 1HE MET 1 1HE MET 1 -13.019 4.815 13.772 7 2HE MET 1 2HE MET 1 -13.789 5.239 12.224 8 3HE MET 1 3HE MET 1 -14.127 6.206 13.680 9 H GLU 2 H GLU 2 -16.700 2.006 7.901 10 HA GLU 2 HA GLU 2 -14.819 -0.193 7.787 11 1HB GLU 2 1HB GLU 2 -17.470 -0.763 7.569 12 2HB GLU 2 2HB GLU 2 -17.139 -0.355 5.898 13 1HG GLU 2 1HG GLU 2 -15.369 -2.036 5.759 14 2HG GLU 2 2HG GLU 2 -15.441 -2.332 7.485 15 H TRP 3 H TRP 3 -13.575 -0.258 5.818 16 HA TRP 3 HA TRP 3 -13.870 2.195 4.223 17 1HB TRP 3 1HB TRP 3 -11.353 0.584 4.659 18 2HB TRP 3 2HB TRP 3 -11.503 2.127 3.843 19 HD1 TRP 3 HD1 TRP 3 -10.788 0.719 7.222 20 HE1 TRP 3 HE1 TRP 3 -10.663 2.562 9.107 21 HE3 TRP 3 HE3 TRP 3 -12.818 4.455 4.434 22 HZ2 TRP 3 HZ2 TRP 3 -11.410 5.314 9.217 23 HZ3 TRP 3 HZ3 TRP 3 -13.086 6.690 5.506 24 HH2 TRP 3 HH2 TRP 3 -12.420 7.149 7.813 25 H GLU 4 H GLU 4 -13.693 1.978 1.914 26 HA GLU 4 HA GLU 4 -13.731 -0.785 0.996 27 1HB GLU 4 1HB GLU 4 -15.537 -0.239 -0.590 28 2HB GLU 4 2HB GLU 4 -16.057 0.053 1.058 29 1HG GLU 4 1HG GLU 4 -16.263 2.312 0.731 30 2HG GLU 4 2HG GLU 4 -14.773 2.416 -0.186 31 H MET 5 H MET 5 -13.200 -0.981 -1.394 32 HA MET 5 HA MET 5 -12.079 1.273 -2.669 33 1HB MET 5 1HB MET 5 -10.362 -0.561 -1.056 34 2HB MET 5 2HB MET 5 -9.794 -0.348 -2.700 35 1HG MET 5 1HG MET 5 -9.161 1.827 -2.332 36 2HG MET 5 2HG MET 5 -10.619 2.202 -1.436 37 1HE MET 5 1HE MET 5 -10.167 2.930 1.246 38 2HE MET 5 2HE MET 5 -8.417 3.241 1.343 39 3HE MET 5 3HE MET 5 -9.319 3.685 -0.125 40 H GLY 6 H GLY 6 -10.485 0.173 -4.603 41 1HA GLY 6 1HA GLY 6 -11.627 -2.316 -5.558 42 2HA GLY 6 2HA GLY 6 -12.090 -0.891 -6.467 43 H LEU 7 H LEU 7 -10.242 -3.328 -7.016 44 HA LEU 7 HA LEU 7 -8.389 -1.933 -8.592 45 1HB LEU 7 1HB LEU 7 -6.359 -2.970 -7.325 46 2HB LEU 7 2HB LEU 7 -6.996 -1.395 -6.892 47 HG LEU 7 HG LEU 7 -8.177 -3.673 -5.415 48 1HD1 LEU 7 1HD1 LEU 7 -5.264 -2.920 -5.071 49 2HD1 LEU 7 2HD1 LEU 7 -6.219 -3.840 -3.884 50 3HD1 LEU 7 3HD1 LEU 7 -5.930 -4.512 -5.506 51 1HD2 LEU 7 1HD2 LEU 7 -8.893 -1.830 -4.367 52 2HD2 LEU 7 2HD2 LEU 7 -7.289 -1.828 -3.596 53 3HD2 LEU 7 3HD2 LEU 7 -7.587 -0.821 -5.034 54 H GLN 8 H GLN 8 -7.345 -3.349 -10.077 55 HA GLN 8 HA GLN 8 -8.693 -5.480 -10.879 56 1HB GLN 8 1HB GLN 8 -6.140 -4.331 -11.426 57 2HB GLN 8 2HB GLN 8 -5.871 -6.056 -11.265 58 1HG GLN 8 1HG GLN 8 -6.414 -5.624 -13.588 59 2HG GLN 8 2HG GLN 8 -7.783 -6.458 -12.879 60 1HE2 GLN 8 1HE2 GLN 8 -9.674 -5.676 -13.364 61 2HE2 GLN 8 2HE2 GLN 8 -10.074 -4.032 -13.738 62 H GLU 9 H GLU 9 -8.661 -7.780 -10.603 63 HA GLU 9 HA GLU 9 -8.385 -8.627 -8.015 64 1HB GLU 9 1HB GLU 9 -9.794 -9.898 -9.438 65 2HB GLU 9 2HB GLU 9 -8.562 -10.068 -10.673 66 1HG GLU 9 1HG GLU 9 -7.994 -11.220 -7.941 67 2HG GLU 9 2HG GLU 9 -9.134 -12.068 -8.968 68 H GLU 10 H GLU 10 -6.044 -8.583 -10.714 69 HA GLU 10 HA GLU 10 -4.203 -10.316 -9.561 70 1HB GLU 10 1HB GLU 10 -4.272 -8.371 -11.800 71 2HB GLU 10 2HB GLU 10 -2.675 -8.604 -11.116 72 1HG GLU 10 1HG GLU 10 -3.290 -11.186 -11.260 73 2HG GLU 10 2HG GLU 10 -4.491 -10.650 -12.419 74 H PHE 11 H PHE 11 -4.895 -6.849 -9.127 75 HA PHE 11 HA PHE 11 -2.458 -6.296 -7.767 76 1HB PHE 11 1HB PHE 11 -4.662 -4.933 -8.919 77 2HB PHE 11 2HB PHE 11 -4.874 -4.639 -7.204 78 HD1 PHE 11 HD1 PHE 11 -2.484 -4.257 -10.005 79 HD2 PHE 11 HD2 PHE 11 -3.529 -3.067 -6.068 80 HE1 PHE 11 HE1 PHE 11 -0.784 -2.414 -10.111 81 HE2 PHE 11 HE2 PHE 11 -1.828 -1.224 -6.173 82 HZ PHE 11 HZ PHE 11 -0.476 -0.919 -8.194 83 H LEU 12 H LEU 12 -5.622 -7.603 -6.891 84 HA LEU 12 HA LEU 12 -5.493 -6.930 -4.148 85 1HB LEU 12 1HB LEU 12 -7.132 -8.741 -5.866 86 2HB LEU 12 2HB LEU 12 -7.175 -8.966 -4.128 87 HG LEU 12 HG LEU 12 -7.802 -6.354 -5.532 88 1HD1 LEU 12 1HD1 LEU 12 -10.145 -6.826 -5.111 89 2HD1 LEU 12 2HD1 LEU 12 -9.426 -8.114 -6.108 90 3HD1 LEU 12 3HD1 LEU 12 -9.725 -8.391 -4.375 91 1HD2 LEU 12 1HD2 LEU 12 -7.195 -6.926 -2.821 92 2HD2 LEU 12 2HD2 LEU 12 -7.764 -5.397 -3.534 93 3HD2 LEU 12 3HD2 LEU 12 -8.939 -6.583 -2.916 94 H GLU 13 H GLU 13 -4.715 -9.930 -6.032 95 HA GLU 13 HA GLU 13 -3.959 -11.444 -3.883 96 1HB GLU 13 1HB GLU 13 -4.283 -12.147 -6.327 97 2HB GLU 13 2HB GLU 13 -2.664 -11.554 -6.637 98 1HG GLU 13 1HG GLU 13 -1.970 -13.646 -6.050 99 2HG GLU 13 2HG GLU 13 -2.239 -13.128 -4.397 100 H LEU 14 H LEU 14 -2.342 -8.734 -5.436 101 HA LEU 14 HA LEU 14 0.283 -9.365 -4.610 102 1HB LEU 14 1HB LEU 14 -1.111 -6.879 -5.559 103 2HB LEU 14 2HB LEU 14 0.545 -6.822 -4.987 104 HG LEU 14 HG LEU 14 -0.575 -8.153 -7.435 105 1HD1 LEU 14 1HD1 LEU 14 1.999 -6.981 -7.789 106 2HD1 LEU 14 2HD1 LEU 14 0.429 -6.456 -8.444 107 3HD1 LEU 14 3HD1 LEU 14 0.988 -5.840 -6.870 108 1HD2 LEU 14 1HD2 LEU 14 0.584 -10.005 -6.657 109 2HD2 LEU 14 2HD2 LEU 14 1.798 -9.174 -7.661 110 3HD2 LEU 14 3HD2 LEU 14 1.853 -9.021 -5.888 111 H ILE 15 H ILE 15 -2.505 -7.689 -3.121 112 HA ILE 15 HA ILE 15 -1.109 -6.526 -1.003 113 HB ILE 15 HB ILE 15 -3.918 -7.178 -1.669 114 1HG1 ILE 15 1HG1 ILE 15 -4.188 -4.774 -1.039 115 2HG1 ILE 15 2HG1 ILE 15 -2.476 -4.703 -0.675 116 1HG2 ILE 15 1HG2 ILE 15 -3.804 -8.064 0.595 117 2HG2 ILE 15 2HG2 ILE 15 -3.059 -6.553 1.170 118 3HG2 ILE 15 3HG2 ILE 15 -4.731 -6.545 0.561 119 1HD1 ILE 15 1HD1 ILE 15 -1.980 -5.457 -3.035 120 2HD1 ILE 15 2HD1 ILE 15 -3.724 -5.366 -3.380 121 3HD1 ILE 15 3HD1 ILE 15 -2.824 -3.892 -2.951 122 H LYS 16 H LYS 16 -2.541 -9.793 -1.469 123 HA LYS 16 HA LYS 16 -2.086 -10.618 1.191 124 1HB LYS 16 1HB LYS 16 -3.369 -11.617 -1.101 125 2HB LYS 16 2HB LYS 16 -2.110 -12.782 -0.745 126 1HG LYS 16 1HG LYS 16 -2.898 -12.806 1.672 127 2HG LYS 16 2HG LYS 16 -4.227 -11.764 1.207 128 1HD LYS 16 1HD LYS 16 -3.713 -14.436 -0.166 129 2HD LYS 16 2HD LYS 16 -4.703 -14.307 1.274 130 1HE LYS 16 1HE LYS 16 -6.321 -12.901 0.168 131 2HE LYS 16 2HE LYS 16 -5.245 -12.586 -1.179 132 1HZ LYS 16 1HZ LYS 16 -6.424 -14.236 -2.081 133 2HZ LYS 16 2HZ LYS 16 -5.392 -15.214 -1.277 134 3HZ LYS 16 3HZ LYS 16 -6.868 -14.898 -0.655 135 H LEU 17 H LEU 17 -0.264 -11.096 -1.908 136 HA LEU 17 HA LEU 17 1.813 -12.552 -0.726 137 1HB LEU 17 1HB LEU 17 1.347 -11.123 -3.294 138 2HB LEU 17 2HB LEU 17 3.004 -11.508 -2.873 139 HG LEU 17 HG LEU 17 1.039 -13.727 -2.628 140 1HD1 LEU 17 1HD1 LEU 17 0.131 -13.242 -4.642 141 2HD1 LEU 17 2HD1 LEU 17 1.525 -12.267 -5.167 142 3HD1 LEU 17 3HD1 LEU 17 1.606 -14.044 -5.234 143 1HD2 LEU 17 1HD2 LEU 17 2.857 -15.083 -3.286 144 2HD2 LEU 17 2HD2 LEU 17 3.760 -13.696 -3.941 145 3HD2 LEU 17 3HD2 LEU 17 3.534 -13.860 -2.183 146 H ARG 18 H ARG 18 1.382 -9.028 -1.408 147 HA ARG 18 HA ARG 18 3.920 -8.446 -0.300 148 1HB ARG 18 1HB ARG 18 3.359 -6.125 -0.751 149 2HB ARG 18 2HB ARG 18 2.746 -7.070 -2.092 150 1HG ARG 18 1HG ARG 18 0.699 -6.172 -1.712 151 2HG ARG 18 2HG ARG 18 0.633 -7.074 -0.211 152 1HD ARG 18 1HD ARG 18 0.263 -4.739 0.338 153 2HD ARG 18 2HD ARG 18 1.857 -5.162 0.931 154 HE ARG 18 HE ARG 18 2.772 -3.624 -0.566 155 1HH1 ARG 18 2HH2 ARG 18 -0.426 -4.541 -1.712 156 2HH1 ARG 18 1HH2 ARG 18 -0.420 -3.410 -3.024 157 1HH2 ARG 18 2HH1 ARG 18 2.780 -2.132 -2.296 158 2HH2 ARG 18 1HH1 ARG 18 1.416 -2.031 -3.358 159 H LYS 19 H LYS 19 1.248 -9.620 1.163 160 HA LYS 19 HA LYS 19 0.774 -7.747 3.228 161 1HB LYS 19 1HB LYS 19 -0.799 -9.228 3.954 162 2HB LYS 19 2HB LYS 19 -0.634 -9.788 2.302 163 1HG LYS 19 1HG LYS 19 -0.344 -11.823 3.351 164 2HG LYS 19 2HG LYS 19 1.325 -11.292 3.401 165 1HD LYS 19 1HD LYS 19 1.297 -10.960 5.678 166 2HD LYS 19 2HD LYS 19 -0.328 -10.303 5.670 167 1HE LYS 19 1HE LYS 19 -1.089 -12.769 5.151 168 2HE LYS 19 2HE LYS 19 0.516 -13.223 5.689 169 1HZ LYS 19 1HZ LYS 19 -1.634 -12.008 7.217 170 2HZ LYS 19 2HZ LYS 19 -0.656 -13.253 7.617 171 3HZ LYS 19 3HZ LYS 19 -0.094 -11.721 7.679 172 H LYS 20 H LYS 20 3.175 -10.278 2.634 173 HA LYS 20 HA LYS 20 4.014 -10.296 5.395 174 1HB LYS 20 1HB LYS 20 4.277 -12.013 3.118 175 2HB LYS 20 2HB LYS 20 5.885 -11.593 3.671 176 1HG LYS 20 1HG LYS 20 4.859 -12.091 6.086 177 2HG LYS 20 2HG LYS 20 3.673 -13.005 5.175 178 1HD LYS 20 1HD LYS 20 5.257 -14.556 4.388 179 2HD LYS 20 2HD LYS 20 6.594 -13.433 4.538 180 1HE LYS 20 1HE LYS 20 6.973 -13.971 6.741 181 2HE LYS 20 2HE LYS 20 5.265 -14.051 7.124 182 1HZ LYS 20 1HZ LYS 20 5.498 -16.225 7.058 183 2HZ LYS 20 2HZ LYS 20 5.735 -16.148 5.444 184 3HZ LYS 20 3HZ LYS 20 7.015 -16.144 6.458 185 H LYS 21 H LYS 21 4.107 -7.915 3.254 186 HA LYS 21 HA LYS 21 6.819 -7.134 4.053 187 1HB LYS 21 1HB LYS 21 5.546 -6.873 1.319 188 2HB LYS 21 2HB LYS 21 6.933 -5.926 1.816 189 1HG LYS 21 1HG LYS 21 8.363 -7.695 1.604 190 2HG LYS 21 2HG LYS 21 7.276 -8.789 2.436 191 1HD LYS 21 1HD LYS 21 5.867 -8.580 0.156 192 2HD LYS 21 2HD LYS 21 7.428 -8.135 -0.506 193 1HE LYS 21 1HE LYS 21 8.279 -10.294 0.806 194 2HE LYS 21 2HE LYS 21 6.588 -10.753 0.764 195 1HZ LYS 21 1HZ LYS 21 6.967 -10.008 -1.740 196 2HZ LYS 21 2HZ LYS 21 8.466 -10.557 -1.395 197 3HZ LYS 21 3HZ LYS 21 7.176 -11.542 -1.222 198 H ILE 22 H ILE 22 5.025 -4.983 2.007 199 HA ILE 22 HA ILE 22 3.510 -3.757 4.083 200 HB ILE 22 HB ILE 22 6.266 -2.938 3.678 201 1HG1 ILE 22 1HG1 ILE 22 5.470 -3.446 5.863 202 2HG1 ILE 22 2HG1 ILE 22 5.793 -1.725 5.814 203 1HG2 ILE 22 1HG2 ILE 22 5.007 -1.306 2.178 204 2HG2 ILE 22 2HG2 ILE 22 4.264 -0.678 3.668 205 3HG2 ILE 22 3HG2 ILE 22 6.030 -0.608 3.456 206 1HD1 ILE 22 1HD1 ILE 22 3.262 -3.119 6.287 207 2HD1 ILE 22 2HD1 ILE 22 3.679 -1.412 6.574 208 3HD1 ILE 22 3HD1 ILE 22 3.112 -1.932 4.969 209 H GLU 23 H GLU 23 2.687 -1.494 3.166 210 HA GLU 23 HA GLU 23 2.551 -1.639 0.280 211 1HB GLU 23 1HB GLU 23 0.569 -2.826 0.702 212 2HB GLU 23 2HB GLU 23 0.223 -1.946 2.177 213 1HG GLU 23 1HG GLU 23 -0.609 -0.055 1.020 214 2HG GLU 23 2HG GLU 23 0.256 -0.447 -0.453 215 H GLY 24 H GLY 24 3.346 0.340 -0.300 216 1HA GLY 24 1HA GLY 24 3.120 2.614 1.435 217 2HA GLY 24 2HA GLY 24 3.846 2.546 -0.159 218 H ARG 25 H ARG 25 2.466 4.795 0.238 219 HA ARG 25 HA ARG 25 0.757 5.012 -1.753 220 1HB ARG 25 1HB ARG 25 -0.570 3.573 0.426 221 2HB ARG 25 2HB ARG 25 -1.402 5.084 0.113 222 1HG ARG 25 1HG ARG 25 -0.658 3.089 -2.077 223 2HG ARG 25 2HG ARG 25 -2.214 3.101 -1.272 224 1HD ARG 25 1HD ARG 25 -1.704 5.804 -2.086 225 2HD ARG 25 2HD ARG 25 -1.285 4.788 -3.451 226 HE ARG 25 HE ARG 25 -3.544 4.141 -3.665 227 1HH1 ARG 25 2HH2 ARG 25 -3.064 5.880 -0.643 228 2HH1 ARG 25 1HH2 ARG 25 -4.758 6.039 -0.317 229 1HH2 ARG 25 2HH1 ARG 25 -5.779 4.351 -3.235 230 2HH2 ARG 25 1HH1 ARG 25 -6.312 5.163 -1.801 231 H LEU 26 H LEU 26 1.444 7.159 -1.854 232 HA LEU 26 HA LEU 26 2.077 8.864 0.080 233 1HB LEU 26 1HB LEU 26 2.413 9.872 -1.875 234 2HB LEU 26 2HB LEU 26 1.045 9.088 -2.640 235 HG LEU 26 HG LEU 26 -0.428 10.769 -1.370 236 1HD1 LEU 26 1HD1 LEU 26 2.280 11.724 -0.642 237 2HD1 LEU 26 2HD1 LEU 26 1.113 12.972 -1.141 238 3HD1 LEU 26 3HD1 LEU 26 0.728 11.884 0.214 239 1HD2 LEU 26 1HD2 LEU 26 1.442 11.731 -3.552 240 2HD2 LEU 26 2HD2 LEU 26 -0.092 10.856 -3.774 241 3HD2 LEU 26 3HD2 LEU 26 -0.095 12.499 -3.088 242 H TYR 27 H TYR 27 1.167 9.700 1.878 243 HA TYR 27 HA TYR 27 -1.389 9.043 2.689 244 1HB TYR 27 1HB TYR 27 0.902 10.228 3.696 245 2HB TYR 27 2HB TYR 27 -0.094 11.658 3.514 246 HD1 TYR 27 HD1 TYR 27 -1.206 8.228 4.493 247 HD2 TYR 27 HD2 TYR 27 -0.540 12.265 5.745 248 HE1 TYR 27 HE1 TYR 27 -2.333 7.732 6.718 249 HE2 TYR 27 HE2 TYR 27 -1.669 11.755 7.965 250 HH TYR 27 HH TYR 27 -1.981 9.073 9.252 251 H ASP 28 H ASP 28 -3.265 10.473 3.129 252 HA ASP 28 HA ASP 28 -3.403 12.861 1.572 253 1HB ASP 28 1HB ASP 28 -5.318 10.551 0.999 254 2HB ASP 28 2HB ASP 28 -5.392 12.143 0.272 255 H GLU 29 H GLU 29 -6.144 13.355 1.662 256 HA GLU 29 HA GLU 29 -6.559 13.779 4.385 257 1HB GLU 29 1HB GLU 29 -8.419 14.015 1.983 258 2HB GLU 29 2HB GLU 29 -8.870 14.532 3.596 259 1HG GLU 29 1HG GLU 29 -7.408 16.344 3.585 260 2HG GLU 29 2HG GLU 29 -6.236 15.538 2.561 261 H LYS 30 H LYS 30 -8.064 11.499 2.001 262 HA LYS 30 HA LYS 30 -9.850 10.348 3.815 263 1HB LYS 30 1HB LYS 30 -8.773 9.705 1.115 264 2HB LYS 30 2HB LYS 30 -9.484 8.378 2.011 265 1HG LYS 30 1HG LYS 30 -11.582 9.158 1.639 266 2HG LYS 30 2HG LYS 30 -11.171 10.732 2.291 267 1HD LYS 30 1HD LYS 30 -11.528 11.453 0.144 268 2HD LYS 30 2HD LYS 30 -9.890 10.890 -0.125 269 1HE LYS 30 1HE LYS 30 -11.341 8.541 -0.436 270 2HE LYS 30 2HE LYS 30 -12.465 9.732 -1.062 271 1HZ LYS 30 1HZ LYS 30 -9.848 9.002 -2.055 272 2HZ LYS 30 2HZ LYS 30 -11.213 9.351 -2.880 273 3HZ LYS 30 3HZ LYS 30 -10.310 10.557 -2.248 274 H ARG 31 H ARG 31 -6.489 9.452 2.821 275 HA ARG 31 HA ARG 31 -6.399 7.149 4.337 276 1HB ARG 31 1HB ARG 31 -4.742 8.251 2.520 277 2HB ARG 31 2HB ARG 31 -3.912 8.828 3.951 278 1HG ARG 31 1HG ARG 31 -3.045 6.772 4.383 279 2HG ARG 31 2HG ARG 31 -4.621 6.012 4.275 280 1HD ARG 31 1HD ARG 31 -4.271 6.379 1.644 281 2HD ARG 31 2HD ARG 31 -2.578 6.456 2.090 282 HE ARG 31 HE ARG 31 -2.617 4.163 2.619 283 1HH1 ARG 31 2HH2 ARG 31 -5.905 5.347 2.213 284 2HH1 ARG 31 1HH2 ARG 31 -6.614 3.767 2.242 285 1HH2 ARG 31 2HH1 ARG 31 -3.551 2.078 2.657 286 2HH2 ARG 31 1HH1 ARG 31 -5.266 1.895 2.496 287 H ARG 32 H ARG 32 -5.734 10.594 5.098 288 HA ARG 32 HA ARG 32 -4.399 10.270 7.447 289 1HB ARG 32 1HB ARG 32 -5.703 12.396 6.019 290 2HB ARG 32 2HB ARG 32 -6.263 12.493 7.677 291 1HG ARG 32 1HG ARG 32 -3.624 12.101 8.172 292 2HG ARG 32 2HG ARG 32 -3.481 12.832 6.587 293 1HD ARG 32 1HD ARG 32 -3.656 14.845 7.641 294 2HD ARG 32 2HD ARG 32 -5.358 14.483 7.844 295 HE ARG 32 HE ARG 32 -3.747 13.239 9.923 296 1HH1 ARG 32 2HH2 ARG 32 -5.237 16.271 8.937 297 2HH1 ARG 32 1HH2 ARG 32 -5.345 16.890 10.551 298 1HH2 ARG 32 2HH1 ARG 32 -3.889 14.056 12.053 299 2HH2 ARG 32 1HH1 ARG 32 -4.573 15.622 12.335 300 H GLN 33 H GLN 33 -7.898 10.063 6.706 301 HA GLN 33 HA GLN 33 -8.675 10.059 9.423 302 1HB GLN 33 1HB GLN 33 -9.948 10.140 6.848 303 2HB GLN 33 2HB GLN 33 -10.649 8.800 7.734 304 1HG GLN 33 1HG GLN 33 -10.773 10.531 9.739 305 2HG GLN 33 2HG GLN 33 -10.600 11.738 8.481 306 1HE2 GLN 33 1HE2 GLN 33 -12.445 8.835 9.355 307 2HE2 GLN 33 2HE2 GLN 33 -13.961 9.316 8.669 308 H ILE 34 H ILE 34 -7.421 7.692 7.170 309 HA ILE 34 HA ILE 34 -8.564 5.414 8.434 310 HB ILE 34 HB ILE 34 -6.254 5.754 6.520 311 1HG1 ILE 34 1HG1 ILE 34 -9.120 4.871 6.063 312 2HG1 ILE 34 2HG1 ILE 34 -8.460 6.441 5.649 313 1HG2 ILE 34 1HG2 ILE 34 -6.491 3.612 8.121 314 2HG2 ILE 34 2HG2 ILE 34 -7.602 3.125 6.818 315 3HG2 ILE 34 3HG2 ILE 34 -5.908 3.520 6.441 316 1HD1 ILE 34 1HD1 ILE 34 -8.358 5.167 3.629 317 2HD1 ILE 34 2HD1 ILE 34 -6.690 5.175 4.252 318 3HD1 ILE 34 3HD1 ILE 34 -7.716 3.737 4.472 319 H LYS 35 H LYS 35 -7.895 4.301 10.209 320 HA LYS 35 HA LYS 35 -5.215 4.925 11.216 321 1HB LYS 35 1HB LYS 35 -5.985 5.268 13.418 322 2HB LYS 35 2HB LYS 35 -7.018 6.249 12.398 323 1HG LYS 35 1HG LYS 35 -8.883 5.073 12.973 324 2HG LYS 35 2HG LYS 35 -8.096 3.532 12.694 325 1HD LYS 35 1HD LYS 35 -7.962 3.217 14.933 326 2HD LYS 35 2HD LYS 35 -6.885 4.595 15.047 327 1HE LYS 35 1HE LYS 35 -8.836 6.129 15.259 328 2HE LYS 35 2HE LYS 35 -9.937 4.776 15.087 329 1HZ LYS 35 1HZ LYS 35 -9.584 4.167 17.179 330 2HZ LYS 35 2HZ LYS 35 -7.970 4.410 17.124 331 3HZ LYS 35 3HZ LYS 35 -8.975 5.665 17.407 332 HA PRO 36 HA PRO 36 -4.919 0.653 11.736 333 1HB PRO 36 1HB PRO 36 -3.243 0.391 13.878 334 2HB PRO 36 2HB PRO 36 -2.680 0.770 12.263 335 1HG PRO 36 1HG PRO 36 -2.938 2.558 14.603 336 2HG PRO 36 2HG PRO 36 -2.002 2.793 13.140 337 1HD PRO 36 1HD PRO 36 -4.506 4.030 13.793 338 2HD PRO 36 2HD PRO 36 -3.628 4.174 12.283 339 H GLY 37 H GLY 37 -7.152 0.243 12.095 340 1HA GLY 37 1HA GLY 37 -7.669 -1.343 14.270 341 2HA GLY 37 2HA GLY 37 -8.115 0.270 14.790 342 H ASP 38 H ASP 38 -8.340 -1.358 11.548 343 HA ASP 38 HA ASP 38 -11.151 -1.566 11.776 344 1HB ASP 38 1HB ASP 38 -9.989 0.844 10.612 345 2HB ASP 38 2HB ASP 38 -10.861 -0.040 9.376 346 H VAL 39 H VAL 39 -11.820 -1.775 9.035 347 HA VAL 39 HA VAL 39 -9.742 -3.473 7.872 348 HB VAL 39 HB VAL 39 -12.642 -4.228 8.286 349 1HG1 VAL 39 1HG1 VAL 39 -11.194 -4.881 6.087 350 2HG1 VAL 39 2HG1 VAL 39 -10.727 -6.205 7.180 351 3HG1 VAL 39 3HG1 VAL 39 -12.444 -5.928 6.801 352 1HG2 VAL 39 1HG2 VAL 39 -11.982 -5.269 10.143 353 2HG2 VAL 39 2HG2 VAL 39 -10.761 -6.183 9.225 354 3HG2 VAL 39 3HG2 VAL 39 -10.347 -4.599 9.925 355 H ILE 40 H ILE 40 -9.647 -3.392 5.611 356 HA ILE 40 HA ILE 40 -11.474 -1.421 4.428 357 HB ILE 40 HB ILE 40 -8.706 -2.177 3.496 358 1HG1 ILE 40 1HG1 ILE 40 -9.396 0.352 4.989 359 2HG1 ILE 40 2HG1 ILE 40 -8.899 -1.098 5.839 360 1HG2 ILE 40 1HG2 ILE 40 -8.923 0.025 2.285 361 2HG2 ILE 40 2HG2 ILE 40 -9.971 -1.288 1.695 362 3HG2 ILE 40 3HG2 ILE 40 -10.650 0.004 2.715 363 1HD1 ILE 40 1HD1 ILE 40 -6.920 0.260 5.425 364 2HD1 ILE 40 2HD1 ILE 40 -6.826 -1.180 4.384 365 3HD1 ILE 40 3HD1 ILE 40 -7.315 0.386 3.694 366 H SER 41 H SER 41 -12.798 -2.045 2.782 367 HA SER 41 HA SER 41 -12.538 -4.820 1.993 368 1HB SER 41 1HB SER 41 -14.753 -4.606 2.560 369 2HB SER 41 2HB SER 41 -14.776 -2.879 2.264 370 HG SER 41 HG SER 41 -15.613 -4.909 0.632 371 H PHE 42 H PHE 42 -12.273 -5.451 -0.194 372 HA PHE 42 HA PHE 42 -11.825 -3.220 -2.051 373 1HB PHE 42 1HB PHE 42 -10.432 -5.894 -1.518 374 2HB PHE 42 2HB PHE 42 -10.251 -5.117 -3.078 375 HD1 PHE 42 HD1 PHE 42 -8.602 -5.606 -0.164 376 HD2 PHE 42 HD2 PHE 42 -9.788 -2.390 -2.665 377 HE1 PHE 42 HE1 PHE 42 -6.731 -4.205 0.750 378 HE2 PHE 42 HE2 PHE 42 -7.917 -0.989 -1.751 379 HZ PHE 42 HZ PHE 42 -6.410 -1.913 -0.055 380 H GLU 43 H GLU 43 -12.480 -3.521 -4.250 381 HA GLU 43 HA GLU 43 -14.112 -4.055 -5.635 382 1HB GLU 43 1HB GLU 43 -12.657 -6.694 -5.219 383 2HB GLU 43 2HB GLU 43 -13.860 -6.484 -6.476 384 1HG GLU 43 1HG GLU 43 -11.618 -4.464 -6.244 385 2HG GLU 43 2HG GLU 43 -11.283 -6.021 -6.974 386 H GLY 44 H GLY 44 -15.182 -3.924 -3.018 387 1HA GLY 44 1HA GLY 44 -17.371 -4.345 -2.353 388 2HA GLY 44 2HA GLY 44 -17.390 -5.828 -3.286 389 H GLY 45 H GLY 45 -15.489 -7.461 -2.515 390 1HA GLY 45 1HA GLY 45 -14.780 -7.396 0.234 391 2HA GLY 45 2HA GLY 45 -16.196 -8.399 -0.007 392 H LYS 46 H LYS 46 -13.711 -7.949 -2.538 393 HA LYS 46 HA LYS 46 -13.325 -10.779 -2.653 394 1HB LYS 46 1HB LYS 46 -13.361 -8.949 -4.553 395 2HB LYS 46 2HB LYS 46 -11.657 -8.802 -4.175 396 1HG LYS 46 1HG LYS 46 -12.434 -11.622 -4.331 397 2HG LYS 46 2HG LYS 46 -12.882 -10.780 -5.800 398 1HD LYS 46 1HD LYS 46 -10.446 -9.768 -5.681 399 2HD LYS 46 2HD LYS 46 -10.123 -11.088 -4.574 400 1HE LYS 46 1HE LYS 46 -10.711 -11.176 -7.518 401 2HE LYS 46 2HE LYS 46 -9.572 -12.126 -6.584 402 1HZ LYS 46 1HZ LYS 46 -12.451 -12.511 -6.853 403 2HZ LYS 46 2HZ LYS 46 -11.247 -13.593 -7.074 404 3HZ LYS 46 3HZ LYS 46 -11.661 -13.129 -5.564 405 H LEU 47 H LEU 47 -11.502 -7.908 -1.495 406 HA LEU 47 HA LEU 47 -9.729 -9.777 -0.110 407 1HB LEU 47 1HB LEU 47 -8.914 -8.485 -2.357 408 2HB LEU 47 2HB LEU 47 -8.469 -7.313 -1.132 409 HG LEU 47 HG LEU 47 -6.691 -8.983 -1.832 410 1HD1 LEU 47 1HD1 LEU 47 -5.720 -8.295 0.037 411 2HD1 LEU 47 2HD1 LEU 47 -7.312 -7.859 0.703 412 3HD1 LEU 47 3HD1 LEU 47 -6.646 -9.486 0.981 413 1HD2 LEU 47 1HD2 LEU 47 -7.684 -11.000 0.063 414 2HD2 LEU 47 2HD2 LEU 47 -8.635 -10.865 -1.435 415 3HD2 LEU 47 3HD2 LEU 47 -6.887 -11.191 -1.517 416 H LYS 48 H LYS 48 -9.940 -9.426 2.028 417 HA LYS 48 HA LYS 48 -10.646 -6.695 2.847 418 1HB LYS 48 1HB LYS 48 -11.173 -9.252 4.381 419 2HB LYS 48 2HB LYS 48 -11.779 -7.647 4.737 420 1HG LYS 48 1HG LYS 48 -12.401 -9.148 2.151 421 2HG LYS 48 2HG LYS 48 -13.442 -9.176 3.561 422 1HD LYS 48 1HD LYS 48 -12.947 -6.435 3.170 423 2HD LYS 48 2HD LYS 48 -13.091 -7.058 1.539 424 1HE LYS 48 1HE LYS 48 -15.325 -6.487 2.179 425 2HE LYS 48 2HE LYS 48 -15.254 -8.234 2.303 426 1HZ LYS 48 1HZ LYS 48 -15.894 -7.956 4.379 427 2HZ LYS 48 2HZ LYS 48 -14.433 -7.317 4.729 428 3HZ LYS 48 3HZ LYS 48 -15.679 -6.337 4.338 429 H VAL 49 H VAL 49 -9.186 -5.565 4.026 430 HA VAL 49 HA VAL 49 -7.070 -7.122 5.336 431 HB VAL 49 HB VAL 49 -5.424 -5.583 4.605 432 1HG1 VAL 49 1HG1 VAL 49 -5.208 -6.388 2.504 433 2HG1 VAL 49 2HG1 VAL 49 -6.681 -7.303 2.908 434 3HG1 VAL 49 3HG1 VAL 49 -6.802 -5.781 1.993 435 1HG2 VAL 49 1HG2 VAL 49 -6.335 -3.452 4.664 436 2HG2 VAL 49 2HG2 VAL 49 -6.188 -3.735 2.913 437 3HG2 VAL 49 3HG2 VAL 49 -7.766 -3.919 3.715 438 H ARG 50 H ARG 50 -5.964 -5.807 7.102 439 HA ARG 50 HA ARG 50 -7.800 -3.833 8.173 440 1HB ARG 50 1HB ARG 50 -8.421 -5.646 9.542 441 2HB ARG 50 2HB ARG 50 -6.833 -6.383 9.471 442 1HG ARG 50 1HG ARG 50 -5.927 -4.921 11.102 443 2HG ARG 50 2HG ARG 50 -7.152 -3.697 10.833 444 1HD ARG 50 1HD ARG 50 -8.319 -6.265 11.713 445 2HD ARG 50 2HD ARG 50 -7.170 -5.629 12.872 446 HE ARG 50 HE ARG 50 -8.802 -3.453 12.078 447 1HH1 ARG 50 2HH2 ARG 50 -9.173 -6.530 13.745 448 2HH1 ARG 50 1HH2 ARG 50 -10.519 -5.997 14.697 449 1HH2 ARG 50 2HH1 ARG 50 -10.577 -2.750 13.333 450 2HH2 ARG 50 1HH1 ARG 50 -11.323 -3.833 14.461 451 H VAL 51 H VAL 51 -6.665 -1.960 8.574 452 HA VAL 51 HA VAL 51 -3.954 -1.717 8.232 453 HB VAL 51 HB VAL 51 -5.804 -0.028 9.927 454 1HG1 VAL 51 1HG1 VAL 51 -3.444 1.064 8.432 455 2HG1 VAL 51 2HG1 VAL 51 -4.243 1.667 9.903 456 3HG1 VAL 51 3HG1 VAL 51 -3.175 0.246 9.990 457 1HG2 VAL 51 1HG2 VAL 51 -5.335 1.150 7.392 458 2HG2 VAL 51 2HG2 VAL 51 -5.771 -0.551 7.097 459 3HG2 VAL 51 3HG2 VAL 51 -6.861 0.498 8.036 460 H LYS 52 H LYS 52 -2.134 -1.724 9.581 461 HA LYS 52 HA LYS 52 -2.635 -2.911 12.219 462 1HB LYS 52 1HB LYS 52 -0.650 -3.447 10.085 463 2HB LYS 52 2HB LYS 52 -0.009 -3.423 11.716 464 1HG LYS 52 1HG LYS 52 -2.587 -4.911 11.313 465 2HG LYS 52 2HG LYS 52 -1.153 -5.629 10.607 466 1HD LYS 52 1HD LYS 52 -1.076 -6.564 12.744 467 2HD LYS 52 2HD LYS 52 -0.074 -5.148 12.988 468 1HE LYS 52 1HE LYS 52 -1.866 -3.927 14.047 469 2HE LYS 52 2HE LYS 52 -3.076 -5.069 13.495 470 1HZ LYS 52 1HZ LYS 52 -1.173 -5.338 15.657 471 2HZ LYS 52 2HZ LYS 52 -2.737 -5.803 15.584 472 3HZ LYS 52 3HZ LYS 52 -1.584 -6.699 14.853 473 H ALA 53 H ALA 53 -0.755 -0.473 10.348 474 HA ALA 53 HA ALA 53 -0.800 1.315 12.541 475 1HB ALA 53 1HB ALA 53 2.006 0.493 11.853 476 2HB ALA 53 2HB ALA 53 1.362 1.201 13.354 477 3HB ALA 53 3HB ALA 53 1.082 -0.518 12.990 478 H ILE 54 H ILE 54 0.418 3.376 11.950 479 HA ILE 54 HA ILE 54 0.563 3.584 9.022 480 HB ILE 54 HB ILE 54 -1.428 4.644 10.181 481 1HG1 ILE 54 1HG1 ILE 54 -0.358 6.955 8.875 482 2HG1 ILE 54 2HG1 ILE 54 0.233 5.535 8.035 483 1HG2 ILE 54 1HG2 ILE 54 -0.335 5.523 12.152 484 2HG2 ILE 54 2HG2 ILE 54 0.718 6.551 11.151 485 3HG2 ILE 54 3HG2 ILE 54 -1.035 6.858 11.206 486 1HD1 ILE 54 1HD1 ILE 54 -1.811 5.760 6.969 487 2HD1 ILE 54 2HD1 ILE 54 -2.328 4.742 8.334 488 3HD1 ILE 54 3HD1 ILE 54 -2.588 6.502 8.388 489 H ARG 55 H ARG 55 2.258 4.841 8.139 490 HA ARG 55 HA ARG 55 4.128 5.902 10.067 491 1HB ARG 55 1HB ARG 55 4.797 3.846 7.909 492 2HB ARG 55 2HB ARG 55 6.026 4.837 8.670 493 1HG ARG 55 1HG ARG 55 4.563 3.834 10.850 494 2HG ARG 55 2HG ARG 55 4.596 2.484 9.732 495 1HD ARG 55 1HD ARG 55 6.751 2.052 10.299 496 2HD ARG 55 2HD ARG 55 7.232 3.638 9.729 497 HE ARG 55 HE ARG 55 6.072 4.082 12.249 498 1HH1 ARG 55 2HH2 ARG 55 8.782 2.231 10.980 499 2HH1 ARG 55 1HH2 ARG 55 9.707 2.342 12.439 500 1HH2 ARG 55 2HH1 ARG 55 7.292 4.230 14.175 501 2HH2 ARG 55 1HH1 ARG 55 8.854 3.487 14.270 502 H VAL 56 H VAL 56 5.707 7.442 9.037 503 HA VAL 56 HA VAL 56 4.901 8.281 6.353 504 HB VAL 56 HB VAL 56 5.445 10.327 8.469 505 1HG1 VAL 56 1HG1 VAL 56 4.784 11.784 6.898 506 2HG1 VAL 56 2HG1 VAL 56 4.912 10.430 5.749 507 3HG1 VAL 56 3HG1 VAL 56 3.343 10.822 6.492 508 1HG2 VAL 56 1HG2 VAL 56 3.754 9.116 9.593 509 2HG2 VAL 56 2HG2 VAL 56 2.908 10.454 8.778 510 3HG2 VAL 56 3HG2 VAL 56 2.852 8.814 8.089 511 H TYR 57 H TYR 57 6.604 9.013 5.069 512 HA TYR 57 HA TYR 57 9.224 9.122 6.397 513 1HB TYR 57 1HB TYR 57 8.169 7.669 3.914 514 2HB TYR 57 2HB TYR 57 9.868 8.088 4.002 515 HD1 TYR 57 HD1 TYR 57 7.202 6.263 5.890 516 HD2 TYR 57 HD2 TYR 57 11.382 6.645 5.062 517 HE1 TYR 57 HE1 TYR 57 7.665 4.139 7.210 518 HE2 TYR 57 HE2 TYR 57 11.831 4.521 6.385 519 HH TYR 57 HH TYR 57 9.210 2.517 7.519 520 H ASN 58 H ASN 58 10.885 9.931 4.496 521 HA ASN 58 HA ASN 58 9.985 12.554 3.991 522 1HB ASN 58 1HB ASN 58 12.470 11.265 4.227 523 2HB ASN 58 2HB ASN 58 12.410 11.668 2.523 524 1HD2 ASN 58 1HD2 ASN 58 14.298 12.948 3.453 525 2HD2 ASN 58 2HD2 ASN 58 13.983 14.585 3.922 526 H SER 59 H SER 59 10.790 9.611 2.028 527 HA SER 59 HA SER 59 8.953 10.445 0.029 528 1HB SER 59 1HB SER 59 11.939 10.502 -0.487 529 2HB SER 59 2HB SER 59 10.828 10.142 -1.793 530 HG SER 59 HG SER 59 9.810 12.179 -1.497 531 H PHE 60 H PHE 60 8.934 8.700 -1.822 532 HA PHE 60 HA PHE 60 8.603 6.216 -0.666 533 1HB PHE 60 1HB PHE 60 8.672 7.531 -3.334 534 2HB PHE 60 2HB PHE 60 9.179 5.856 -3.430 535 HD1 PHE 60 HD1 PHE 60 7.558 4.253 -1.913 536 HD2 PHE 60 HD2 PHE 60 6.449 7.908 -3.761 537 HE1 PHE 60 HE1 PHE 60 5.156 3.525 -1.910 538 HE2 PHE 60 HE2 PHE 60 4.046 7.180 -3.758 539 HZ PHE 60 HZ PHE 60 3.429 4.998 -2.833 540 H ARG 61 H ARG 61 11.458 7.707 -2.227 541 HA ARG 61 HA ARG 61 12.896 5.433 -2.685 542 1HB ARG 61 1HB ARG 61 13.341 8.096 -3.047 543 2HB ARG 61 2HB ARG 61 14.367 7.848 -1.648 544 1HG ARG 61 1HG ARG 61 14.748 5.687 -3.584 545 2HG ARG 61 2HG ARG 61 14.982 7.243 -4.355 546 1HD ARG 61 1HD ARG 61 16.262 6.844 -1.656 547 2HD ARG 61 2HD ARG 61 16.968 5.984 -3.010 548 HE ARG 61 HE ARG 61 16.663 8.557 -3.992 549 1HH1 ARG 61 2HH2 ARG 61 18.203 7.204 -1.133 550 2HH1 ARG 61 1HH2 ARG 61 19.396 8.455 -1.027 551 1HH2 ARG 61 2HH1 ARG 61 18.237 10.207 -3.854 552 2HH2 ARG 61 1HH1 ARG 61 19.416 10.175 -2.585 553 H GLU 62 H GLU 62 12.439 7.366 0.311 554 HA GLU 62 HA GLU 62 14.431 5.982 1.747 555 1HB GLU 62 1HB GLU 62 12.418 8.092 2.266 556 2HB GLU 62 2HB GLU 62 12.730 7.071 3.656 557 1HG GLU 62 1HG GLU 62 15.301 7.521 2.700 558 2HG GLU 62 2HG GLU 62 14.511 9.038 2.318 559 H MET 63 H MET 63 10.917 5.599 1.209 560 HA MET 63 HA MET 63 10.565 3.726 3.273 561 1HB MET 63 1HB MET 63 9.023 4.957 1.068 562 2HB MET 63 2HB MET 63 8.594 3.271 1.278 563 1HG MET 63 1HG MET 63 8.267 3.724 3.762 564 2HG MET 63 2HG MET 63 8.553 5.424 3.448 565 1HE MET 63 1HE MET 63 6.851 2.399 2.033 566 2HE MET 63 2HE MET 63 5.185 2.896 1.653 567 3HE MET 63 3HE MET 63 6.518 3.345 0.563 568 H LEU 64 H LEU 64 11.036 3.452 -0.312 569 HA LEU 64 HA LEU 64 10.898 0.633 -0.315 570 1HB LEU 64 1HB LEU 64 12.190 2.470 -2.333 571 2HB LEU 64 2HB LEU 64 11.681 0.813 -2.592 572 HG LEU 64 HG LEU 64 9.716 2.971 -1.818 573 1HD1 LEU 64 1HD1 LEU 64 9.320 2.630 -4.502 574 2HD1 LEU 64 2HD1 LEU 64 10.196 3.988 -3.755 575 3HD1 LEU 64 3HD1 LEU 64 11.095 2.587 -4.386 576 1HD2 LEU 64 1HD2 LEU 64 8.045 1.499 -2.473 577 2HD2 LEU 64 2HD2 LEU 64 9.154 0.509 -3.452 578 3HD2 LEU 64 3HD2 LEU 64 9.227 0.434 -1.675 579 H GLU 65 H GLU 65 13.447 3.015 0.324 580 HA GLU 65 HA GLU 65 15.534 1.125 0.013 581 1HB GLU 65 1HB GLU 65 15.345 3.946 1.107 582 2HB GLU 65 2HB GLU 65 16.823 3.023 1.296 583 1HG GLU 65 1HG GLU 65 15.578 3.095 -1.447 584 2HG GLU 65 2HG GLU 65 16.356 4.558 -0.877 585 H LYS 66 H LYS 66 13.851 2.688 2.822 586 HA LYS 66 HA LYS 66 15.287 1.022 4.674 587 1HB LYS 66 1HB LYS 66 14.154 3.515 4.820 588 2HB LYS 66 2HB LYS 66 12.942 2.540 5.626 589 1HG LYS 66 1HG LYS 66 14.265 2.717 7.474 590 2HG LYS 66 2HG LYS 66 15.279 1.510 6.709 591 1HD LYS 66 1HD LYS 66 16.801 3.254 7.208 592 2HD LYS 66 2HD LYS 66 16.454 3.502 5.509 593 1HE LYS 66 1HE LYS 66 15.036 5.364 5.932 594 2HE LYS 66 2HE LYS 66 14.764 4.905 7.601 595 1HZ LYS 66 1HZ LYS 66 17.506 5.324 7.087 596 2HZ LYS 66 2HZ LYS 66 16.634 6.649 6.697 597 3HZ LYS 66 3HZ LYS 66 16.546 6.028 8.205 598 H GLU 67 H GLU 67 11.752 1.516 3.966 599 HA GLU 67 HA GLU 67 10.954 -0.750 5.287 600 1HB GLU 67 1HB GLU 67 9.723 1.323 3.906 601 2HB GLU 67 2HB GLU 67 9.329 -0.062 2.907 602 1HG GLU 67 1HG GLU 67 8.679 0.378 5.843 603 2HG GLU 67 2HG GLU 67 7.568 0.067 4.525 604 H GLY 68 H GLY 68 11.673 -0.260 1.764 605 1HA GLY 68 1HA GLY 68 13.017 -2.166 0.851 606 2HA GLY 68 2HA GLY 68 11.751 -3.203 1.475 607 H LEU 69 H LEU 69 12.846 -2.092 -1.350 608 HA LEU 69 HA LEU 69 10.627 -0.857 -2.543 609 1HB LEU 69 1HB LEU 69 12.698 -0.563 -3.568 610 2HB LEU 69 2HB LEU 69 13.073 -2.275 -3.544 611 HG LEU 69 HG LEU 69 11.142 -2.570 -5.208 612 1HD1 LEU 69 1HD1 LEU 69 10.893 -0.391 -6.620 613 2HD1 LEU 69 2HD1 LEU 69 9.898 -0.627 -5.163 614 3HD1 LEU 69 3HD1 LEU 69 11.334 0.423 -5.100 615 1HD2 LEU 69 1HD2 LEU 69 13.882 -1.690 -5.584 616 2HD2 LEU 69 2HD2 LEU 69 12.943 -2.920 -6.463 617 3HD2 LEU 69 3HD2 LEU 69 12.845 -1.210 -6.948 618 H GLU 70 H GLU 70 11.823 -4.285 -2.783 619 HA GLU 70 HA GLU 70 9.493 -5.117 -4.085 620 1HB GLU 70 1HB GLU 70 11.971 -6.335 -3.037 621 2HB GLU 70 2HB GLU 70 10.590 -7.409 -2.928 622 1HG GLU 70 1HG GLU 70 10.093 -6.981 -5.359 623 2HG GLU 70 2HG GLU 70 11.513 -5.960 -5.455 624 H ASN 71 H ASN 71 10.120 -4.267 -0.822 625 HA ASN 71 HA ASN 71 8.156 -6.100 0.215 626 1HB ASN 71 1HB ASN 71 9.902 -3.946 1.510 627 2HB ASN 71 2HB ASN 71 8.719 -4.870 2.415 628 1HD2 ASN 71 1HD2 ASN 71 10.682 -6.004 -0.292 629 2HD2 ASN 71 2HD2 ASN 71 11.617 -7.178 0.573 630 H VAL 72 H VAL 72 7.854 -3.537 -1.683 631 HA VAL 72 HA VAL 72 5.542 -2.496 -0.233 632 HB VAL 72 HB VAL 72 7.728 -0.848 -1.515 633 1HG1 VAL 72 1HG1 VAL 72 4.959 -0.288 -1.409 634 2HG1 VAL 72 2HG1 VAL 72 5.723 0.715 -0.152 635 3HG1 VAL 72 3HG1 VAL 72 6.284 0.820 -1.838 636 1HG2 VAL 72 1HG2 VAL 72 8.470 -0.339 0.553 637 2HG2 VAL 72 2HG2 VAL 72 6.827 -0.251 1.232 638 3HG2 VAL 72 3HG2 VAL 72 7.626 -1.830 1.037 639 H LEU 73 H LEU 73 7.433 -2.578 -3.325 640 HA LEU 73 HA LEU 73 4.855 -2.882 -4.695 641 1HB LEU 73 1HB LEU 73 6.051 -0.598 -4.879 642 2HB LEU 73 2HB LEU 73 7.193 -1.439 -5.910 643 HG LEU 73 HG LEU 73 4.723 -2.163 -6.968 644 1HD1 LEU 73 1HD1 LEU 73 4.292 0.169 -5.417 645 2HD1 LEU 73 2HD1 LEU 73 4.267 0.660 -7.128 646 3HD1 LEU 73 3HD1 LEU 73 3.180 -0.628 -6.556 647 1HD2 LEU 73 1HD2 LEU 73 6.211 -1.759 -8.605 648 2HD2 LEU 73 2HD2 LEU 73 5.489 -0.132 -8.596 649 3HD2 LEU 73 3HD2 LEU 73 7.003 -0.439 -7.711 650 HA PRO 74 HA PRO 74 7.265 -6.480 -5.681 651 1HB PRO 74 1HB PRO 74 5.159 -8.211 -5.880 652 2HB PRO 74 2HB PRO 74 6.030 -7.930 -4.386 653 1HG PRO 74 1HG PRO 74 3.354 -6.960 -5.182 654 2HG PRO 74 2HG PRO 74 4.055 -7.056 -3.578 655 1HD PRO 74 1HD PRO 74 3.747 -4.695 -5.178 656 2HD PRO 74 2HD PRO 74 4.551 -4.812 -3.626 657 H GLY 75 H GLY 75 8.176 -6.455 -7.630 658 1HA GLY 75 1HA GLY 75 7.621 -7.407 -9.867 659 2HA GLY 75 2HA GLY 75 6.265 -6.298 -9.883 660 H VAL 76 H VAL 76 7.678 -4.076 -8.517 661 HA VAL 76 HA VAL 76 8.490 -2.565 -10.559 662 HB VAL 76 HB VAL 76 8.215 -1.965 -8.136 663 1HG1 VAL 76 1HG1 VAL 76 9.662 -2.598 -6.547 664 2HG1 VAL 76 2HG1 VAL 76 10.307 -3.750 -7.741 665 3HG1 VAL 76 3HG1 VAL 76 11.072 -2.156 -7.540 666 1HG2 VAL 76 1HG2 VAL 76 9.745 -0.062 -8.238 667 2HG2 VAL 76 2HG2 VAL 76 10.691 -0.869 -9.512 668 3HG2 VAL 76 3HG2 VAL 76 9.016 -0.362 -9.834 669 H LYS 77 H LYS 77 10.472 -2.014 -11.625 670 HA LYS 77 HA LYS 77 12.196 -4.306 -11.923 671 1HB LYS 77 1HB LYS 77 11.873 -1.679 -13.374 672 2HB LYS 77 2HB LYS 77 13.240 -2.730 -13.685 673 1HG LYS 77 1HG LYS 77 11.290 -4.595 -13.858 674 2HG LYS 77 2HG LYS 77 10.318 -3.191 -14.254 675 1HD LYS 77 1HD LYS 77 11.266 -2.980 -16.318 676 2HD LYS 77 2HD LYS 77 12.890 -3.160 -15.685 677 1HE LYS 77 1HE LYS 77 12.569 -5.644 -15.575 678 2HE LYS 77 2HE LYS 77 10.948 -5.461 -16.215 679 1HZ LYS 77 1HZ LYS 77 11.754 -4.835 -18.247 680 2HZ LYS 77 2HZ LYS 77 13.200 -4.333 -17.679 681 3HZ LYS 77 3HZ LYS 77 12.880 -5.929 -17.798 682 H SER 78 H SER 78 12.286 -0.975 -10.597 683 HA SER 78 HA SER 78 14.481 -1.729 -8.977 684 1HB SER 78 1HB SER 78 14.895 0.138 -11.324 685 2HB SER 78 2HB SER 78 15.827 0.373 -9.859 686 HG SER 78 HG SER 78 17.016 -1.366 -10.296 687 H ILE 79 H ILE 79 15.167 0.278 -7.568 688 HA ILE 79 HA ILE 79 12.895 1.322 -6.388 689 HB ILE 79 HB ILE 79 15.766 2.250 -6.297 690 1HG1 ILE 79 1HG1 ILE 79 14.179 0.363 -4.533 691 2HG1 ILE 79 2HG1 ILE 79 15.495 -0.067 -5.607 692 1HG2 ILE 79 1HG2 ILE 79 15.294 3.706 -4.611 693 2HG2 ILE 79 2HG2 ILE 79 13.775 3.832 -5.529 694 3HG2 ILE 79 3HG2 ILE 79 13.854 2.806 -4.077 695 1HD1 ILE 79 1HD1 ILE 79 15.977 2.051 -3.506 696 2HD1 ILE 79 2HD1 ILE 79 15.960 0.337 -3.027 697 3HD1 ILE 79 3HD1 ILE 79 17.129 0.911 -4.241 698 H GLU 80 H GLU 80 14.934 2.533 -9.057 699 HA GLU 80 HA GLU 80 13.913 5.125 -9.028 700 1HB GLU 80 1HB GLU 80 15.662 3.492 -10.707 701 2HB GLU 80 2HB GLU 80 14.630 4.503 -11.698 702 1HG GLU 80 1HG GLU 80 15.628 6.035 -9.421 703 2HG GLU 80 2HG GLU 80 16.968 5.291 -10.272 704 H GLU 81 H GLU 81 13.017 2.160 -10.914 705 HA GLU 81 HA GLU 81 11.021 3.404 -12.383 706 1HB GLU 81 1HB GLU 81 11.792 0.581 -11.726 707 2HB GLU 81 2HB GLU 81 10.173 0.827 -12.351 708 1HG GLU 81 1HG GLU 81 12.512 2.149 -13.749 709 2HG GLU 81 2HG GLU 81 12.210 0.443 -14.017 710 H GLY 82 H GLY 82 11.060 1.860 -9.149 711 1HA GLY 82 1HA GLY 82 8.367 1.536 -8.671 712 2HA GLY 82 2HA GLY 82 9.575 1.921 -7.462 713 H ILE 83 H ILE 83 10.418 4.502 -8.247 714 HA ILE 83 HA ILE 83 8.373 6.064 -7.154 715 HB ILE 83 HB ILE 83 11.042 6.539 -8.385 716 1HG1 ILE 83 1HG1 ILE 83 10.040 7.660 -5.788 717 2HG1 ILE 83 2HG1 ILE 83 10.387 5.946 -5.897 718 1HG2 ILE 83 1HG2 ILE 83 10.772 8.984 -8.089 719 2HG2 ILE 83 2HG2 ILE 83 9.763 8.318 -9.395 720 3HG2 ILE 83 3HG2 ILE 83 9.029 8.734 -7.827 721 1HD1 ILE 83 1HD1 ILE 83 12.305 8.251 -6.439 722 2HD1 ILE 83 2HD1 ILE 83 12.417 7.020 -5.159 723 3HD1 ILE 83 3HD1 ILE 83 12.677 6.562 -6.859 724 H GLN 84 H GLN 84 9.376 5.347 -10.522 725 HA GLN 84 HA GLN 84 7.859 7.313 -11.728 726 1HB GLN 84 1HB GLN 84 9.048 4.687 -12.583 727 2HB GLN 84 2HB GLN 84 7.879 5.432 -13.655 728 1HG GLN 84 1HG GLN 84 10.375 6.817 -12.564 729 2HG GLN 84 2HG GLN 84 10.237 6.123 -14.167 730 1HE2 GLN 84 1HE2 GLN 84 10.628 8.902 -13.103 731 2HE2 GLN 84 2HE2 GLN 84 9.442 9.885 -13.896 732 H VAL 85 H VAL 85 7.027 4.056 -10.505 733 HA VAL 85 HA VAL 85 4.527 3.864 -11.769 734 HB VAL 85 HB VAL 85 6.028 2.516 -9.610 735 1HG1 VAL 85 1HG1 VAL 85 3.875 1.147 -9.108 736 2HG1 VAL 85 2HG1 VAL 85 4.121 2.704 -8.280 737 3HG1 VAL 85 3HG1 VAL 85 3.015 2.601 -9.671 738 1HG2 VAL 85 1HG2 VAL 85 5.230 1.999 -12.269 739 2HG2 VAL 85 2HG2 VAL 85 6.129 0.925 -11.171 740 3HG2 VAL 85 3HG2 VAL 85 4.354 0.830 -11.252 741 H TYR 86 H TYR 86 5.639 5.284 -8.655 742 HA TYR 86 HA TYR 86 3.043 5.813 -7.682 743 1HB TYR 86 1HB TYR 86 5.716 7.272 -7.222 744 2HB TYR 86 2HB TYR 86 4.381 7.205 -6.088 745 HD1 TYR 86 HD1 TYR 86 3.907 4.113 -6.754 746 HD2 TYR 86 HD2 TYR 86 7.273 6.443 -5.512 747 HE1 TYR 86 HE1 TYR 86 4.937 2.059 -5.667 748 HE2 TYR 86 HE2 TYR 86 8.292 4.381 -4.429 749 HH TYR 86 HH TYR 86 6.551 1.283 -4.460 750 H ARG 87 H ARG 87 5.051 7.326 -10.119 751 HA ARG 87 HA ARG 87 3.941 9.897 -9.807 752 1HB ARG 87 1HB ARG 87 6.041 8.687 -11.314 753 2HB ARG 87 2HB ARG 87 4.946 9.362 -12.505 754 1HG ARG 87 1HG ARG 87 5.128 11.360 -10.510 755 2HG ARG 87 2HG ARG 87 6.763 10.746 -10.660 756 1HD ARG 87 1HD ARG 87 5.899 10.956 -13.331 757 2HD ARG 87 2HD ARG 87 5.194 12.365 -12.564 758 HE ARG 87 HE ARG 87 7.806 12.348 -11.615 759 1HH1 ARG 87 2HH2 ARG 87 6.349 12.315 -14.817 760 2HH1 ARG 87 1HH2 ARG 87 7.672 13.144 -15.568 761 1HH2 ARG 87 2HH1 ARG 87 9.552 13.441 -12.604 762 2HH2 ARG 87 1HH1 ARG 87 9.507 13.788 -14.300 763 H ARG 88 H ARG 88 3.363 7.044 -11.947 764 HA ARG 88 HA ARG 88 1.422 8.380 -13.480 765 1HB ARG 88 1HB ARG 88 0.947 6.087 -14.387 766 2HB ARG 88 2HB ARG 88 2.660 6.457 -14.394 767 1HG ARG 88 1HG ARG 88 3.058 5.111 -12.417 768 2HG ARG 88 2HG ARG 88 1.344 4.964 -12.086 769 1HD ARG 88 1HD ARG 88 1.737 2.904 -13.116 770 2HD ARG 88 2HD ARG 88 1.262 3.854 -14.510 771 HE ARG 88 HE ARG 88 3.967 2.872 -13.894 772 1HH1 ARG 88 2HH2 ARG 88 2.047 5.128 -15.792 773 2HH1 ARG 88 1HH2 ARG 88 3.260 5.334 -17.011 774 1HH2 ARG 88 2HH1 ARG 88 5.568 3.143 -15.501 775 2HH2 ARG 88 1HH1 ARG 88 5.277 4.197 -16.844 776 H PHE 89 H PHE 89 1.472 6.696 -10.397 777 HA PHE 89 HA PHE 89 -1.405 6.293 -10.433 778 1HB PHE 89 1HB PHE 89 0.984 5.197 -9.154 779 2HB PHE 89 2HB PHE 89 -0.092 5.764 -7.892 780 HD1 PHE 89 HD1 PHE 89 -2.730 5.130 -8.708 781 HD2 PHE 89 HD2 PHE 89 0.822 2.920 -9.418 782 HE1 PHE 89 HE1 PHE 89 -4.081 3.025 -8.913 783 HE2 PHE 89 HE2 PHE 89 -0.529 0.815 -9.624 784 HZ PHE 89 HZ PHE 89 -2.964 0.892 -9.369 785 H TYR 90 H TYR 90 1.106 7.902 -8.346 786 HA TYR 90 HA TYR 90 -1.037 9.676 -7.393 787 1HB TYR 90 1HB TYR 90 1.712 9.370 -6.133 788 2HB TYR 90 2HB TYR 90 0.181 9.651 -5.328 789 HD1 TYR 90 HD1 TYR 90 2.626 7.445 -5.186 790 HD2 TYR 90 HD2 TYR 90 -1.505 7.448 -6.302 791 HE1 TYR 90 HE1 TYR 90 2.463 4.972 -4.619 792 HE2 TYR 90 HE2 TYR 90 -1.653 4.975 -5.730 793 HH TYR 90 HH TYR 90 1.173 3.251 -4.438 794 H ASP 91 H ASP 91 -0.468 11.953 -7.024 795 HA ASP 91 HA ASP 91 1.016 12.937 -9.202 796 1HB ASP 91 1HB ASP 91 0.352 14.729 -6.889 797 2HB ASP 91 2HB ASP 91 0.141 15.013 -8.605 798 H GLU 92 H GLU 92 3.066 14.088 -9.125 799 HA GLU 92 HA GLU 92 4.779 13.190 -7.066 800 1HB GLU 92 1HB GLU 92 6.544 14.221 -8.347 801 2HB GLU 92 2HB GLU 92 5.431 13.498 -9.491 802 1HG GLU 92 1HG GLU 92 4.302 15.767 -9.728 803 2HG GLU 92 2HG GLU 92 5.555 16.448 -8.709 804 H GLU 93 H GLU 93 3.000 16.180 -7.819 805 HA GLU 93 HA GLU 93 4.472 17.817 -6.086 806 1HB GLU 93 1HB GLU 93 2.380 18.128 -7.960 807 2HB GLU 93 2HB GLU 93 1.686 18.647 -6.437 808 1HG GLU 93 1HG GLU 93 4.374 19.638 -7.494 809 2HG GLU 93 2HG GLU 93 2.861 20.485 -7.747 810 H LYS 94 H LYS 94 1.235 16.189 -5.772 811 HA LYS 94 HA LYS 94 0.756 16.985 -3.160 812 1HB LYS 94 1HB LYS 94 -0.420 15.254 -5.126 813 2HB LYS 94 2HB LYS 94 -0.389 14.413 -3.589 814 1HG LYS 94 1HG LYS 94 -1.189 17.262 -3.357 815 2HG LYS 94 2HG LYS 94 -2.280 16.311 -4.346 816 1HD LYS 94 1HD LYS 94 -2.282 14.572 -2.431 817 2HD LYS 94 2HD LYS 94 -1.468 15.779 -1.456 818 1HE LYS 94 1HE LYS 94 -3.488 17.336 -2.321 819 2HE LYS 94 2HE LYS 94 -4.288 15.792 -2.532 820 1HZ LYS 94 1HZ LYS 94 -4.482 15.565 -0.354 821 2HZ LYS 94 2HZ LYS 94 -2.936 15.991 -0.043 822 3HZ LYS 94 3HZ LYS 94 -4.082 17.142 -0.218 823 H GLU 95 H GLU 95 2.631 14.234 -4.506 824 HA GLU 95 HA GLU 95 2.963 12.920 -2.085 825 1HB GLU 95 1HB GLU 95 3.420 12.060 -4.461 826 2HB GLU 95 2HB GLU 95 4.940 12.931 -4.402 827 1HG GLU 95 1HG GLU 95 4.328 11.147 -2.064 828 2HG GLU 95 2HG GLU 95 4.681 10.349 -3.584 829 H LYS 96 H LYS 96 5.119 15.254 -3.850 830 HA LYS 96 HA LYS 96 7.066 15.308 -1.823 831 1HB LYS 96 1HB LYS 96 6.448 16.863 -4.292 832 2HB LYS 96 2HB LYS 96 7.500 17.619 -3.113 833 1HG LYS 96 1HG LYS 96 8.401 14.927 -3.298 834 2HG LYS 96 2HG LYS 96 8.074 15.417 -4.949 835 1HD LYS 96 1HD LYS 96 9.686 17.170 -3.049 836 2HD LYS 96 2HD LYS 96 10.443 15.911 -4.005 837 1HE LYS 96 1HE LYS 96 10.578 17.402 -5.712 838 2HE LYS 96 2HE LYS 96 8.836 17.289 -5.868 839 1HZ LYS 96 1HZ LYS 96 9.107 18.972 -3.820 840 2HZ LYS 96 2HZ LYS 96 10.413 19.372 -4.716 841 3HZ LYS 96 3HZ LYS 96 8.919 19.439 -5.374 842 H LYS 97 H LYS 97 3.855 16.510 -1.958 843 HA LYS 97 HA LYS 97 4.276 18.849 -0.392 844 1HB LYS 97 1HB LYS 97 2.330 18.229 -2.012 845 2HB LYS 97 2HB LYS 97 1.657 17.380 -0.635 846 1HG LYS 97 1HG LYS 97 1.643 19.422 0.711 847 2HG LYS 97 2HG LYS 97 2.548 20.296 -0.509 848 1HD LYS 97 1HD LYS 97 -0.002 19.033 -1.443 849 2HD LYS 97 2HD LYS 97 -0.182 20.360 -0.313 850 1HE LYS 97 1HE LYS 97 1.703 21.420 -2.016 851 2HE LYS 97 2HE LYS 97 0.826 20.387 -3.127 852 1HZ LYS 97 1HZ LYS 97 -0.273 22.425 -3.103 853 2HZ LYS 97 2HZ LYS 97 -1.224 21.447 -2.204 854 3HZ LYS 97 3HZ LYS 97 -0.262 22.547 -1.474 855 H TYR 98 H TYR 98 2.818 15.595 0.332 856 HA TYR 98 HA TYR 98 3.323 16.134 3.163 857 1HB TYR 98 1HB TYR 98 1.645 14.219 1.452 858 2HB TYR 98 2HB TYR 98 1.887 13.876 3.153 859 HD1 TYR 98 HD1 TYR 98 0.377 16.252 0.751 860 HD2 TYR 98 HD2 TYR 98 0.721 15.114 4.861 861 HE1 TYR 98 HE1 TYR 98 -1.575 17.770 1.343 862 HE2 TYR 98 HE2 TYR 98 -1.232 16.636 5.438 863 HH TYR 98 HH TYR 98 -3.246 17.541 4.160 864 H GLY 99 H GLY 99 3.686 13.471 0.710 865 1HA GLY 99 1HA GLY 99 6.006 12.596 0.582 866 2HA GLY 99 2HA GLY 99 5.953 12.472 2.329 867 H VAL 100 H VAL 100 6.453 10.126 1.841 868 HA VAL 100 HA VAL 100 4.090 8.665 0.926 869 HB VAL 100 HB VAL 100 6.835 7.551 1.469 870 1HG1 VAL 100 1HG1 VAL 100 4.757 6.082 1.120 871 2HG1 VAL 100 2HG1 VAL 100 4.803 6.634 -0.572 872 3HG1 VAL 100 3HG1 VAL 100 6.183 5.741 0.111 873 1HG2 VAL 100 1HG2 VAL 100 7.474 9.142 -0.072 874 2HG2 VAL 100 2HG2 VAL 100 6.993 7.813 -1.154 875 3HG2 VAL 100 3HG2 VAL 100 5.882 9.174 -0.867 876 H VAL 101 H VAL 101 3.275 6.864 2.194 877 HA VAL 101 HA VAL 101 4.160 6.863 4.979 878 HB VAL 101 HB VAL 101 1.756 6.816 5.661 879 1HG1 VAL 101 1HG1 VAL 101 2.864 9.307 4.334 880 2HG1 VAL 101 2HG1 VAL 101 1.427 9.300 5.384 881 3HG1 VAL 101 3HG1 VAL 101 3.011 8.821 6.040 882 1HG2 VAL 101 1HG2 VAL 101 0.108 6.761 4.161 883 2HG2 VAL 101 2HG2 VAL 101 0.692 8.267 3.414 884 3HG2 VAL 101 3HG2 VAL 101 1.323 6.697 2.863 885 H ALA 102 H ALA 102 4.946 4.819 5.170 886 HA ALA 102 HA ALA 102 3.785 2.688 3.634 887 1HB ALA 102 1HB ALA 102 5.837 1.824 3.934 888 2HB ALA 102 2HB ALA 102 6.268 3.274 4.872 889 3HB ALA 102 3HB ALA 102 5.625 1.836 5.701 890 H ILE 103 H ILE 103 1.700 2.200 4.281 891 HA ILE 103 HA ILE 103 1.222 1.917 7.140 892 HB ILE 103 HB ILE 103 -0.506 2.186 4.707 893 1HG1 ILE 103 1HG1 ILE 103 -1.504 3.787 6.700 894 2HG1 ILE 103 2HG1 ILE 103 0.208 3.796 7.073 895 1HG2 ILE 103 1HG2 ILE 103 -1.659 0.425 5.697 896 2HG2 ILE 103 2HG2 ILE 103 -1.266 0.959 7.349 897 3HG2 ILE 103 3HG2 ILE 103 -2.451 1.866 6.378 898 1HD1 ILE 103 1HD1 ILE 103 0.576 5.243 5.376 899 2HD1 ILE 103 2HD1 ILE 103 -0.053 4.047 4.217 900 3HD1 ILE 103 3HD1 ILE 103 -1.159 5.213 4.980 901 H GLU 104 H GLU 104 0.740 -0.038 8.140 902 HA GLU 104 HA GLU 104 1.432 -2.337 6.529 903 1HB GLU 104 1HB GLU 104 2.514 -1.804 8.804 904 2HB GLU 104 2HB GLU 104 0.986 -2.248 9.539 905 1HG GLU 104 1HG GLU 104 1.486 -4.372 7.772 906 2HG GLU 104 2HG GLU 104 3.080 -3.978 8.382 907 H ILE 105 H ILE 105 -0.173 -3.546 5.627 908 HA ILE 105 HA ILE 105 -2.777 -3.499 6.985 909 HB ILE 105 HB ILE 105 -3.841 -3.646 4.928 910 1HG1 ILE 105 1HG1 ILE 105 -2.503 -5.455 3.962 911 2HG1 ILE 105 2HG1 ILE 105 -2.779 -4.167 2.805 912 1HG2 ILE 105 1HG2 ILE 105 -1.457 -1.802 4.719 913 2HG2 ILE 105 2HG2 ILE 105 -2.776 -1.820 3.524 914 3HG2 ILE 105 3HG2 ILE 105 -3.121 -1.417 5.223 915 1HD1 ILE 105 1HD1 ILE 105 -0.230 -4.916 4.242 916 2HD1 ILE 105 2HD1 ILE 105 -0.488 -4.552 2.519 917 3HD1 ILE 105 3HD1 ILE 105 -0.463 -3.232 3.713 918 H GLU 106 H GLU 106 -4.043 -5.544 6.860 919 HA GLU 106 HA GLU 106 -2.352 -7.861 6.451 920 1HB GLU 106 1HB GLU 106 -2.849 -6.884 9.010 921 2HB GLU 106 2HB GLU 106 -4.097 -8.101 8.829 922 1HG GLU 106 1HG GLU 106 -2.514 -9.641 9.364 923 2HG GLU 106 2HG GLU 106 -1.839 -9.372 7.769 924 HA PRO 107 HA PRO 107 -6.257 -8.688 4.524 925 1HB PRO 107 1HB PRO 107 -5.318 -10.460 2.668 926 2HB PRO 107 2HB PRO 107 -5.382 -8.731 2.395 927 1HG PRO 107 1HG PRO 107 -3.035 -10.428 2.985 928 2HG PRO 107 2HG PRO 107 -3.080 -8.815 2.300 929 1HD PRO 107 1HD PRO 107 -2.396 -9.517 4.996 930 2HD PRO 107 2HD PRO 107 -2.554 -7.899 4.342 931 H LEU 108 H LEU 108 -7.406 -9.625 6.163 932 HA LEU 108 HA LEU 108 -6.619 -12.034 7.308 933 1HB LEU 108 1HB LEU 108 -9.462 -11.069 7.091 934 2HB LEU 108 2HB LEU 108 -8.735 -12.042 8.354 935 HG LEU 108 HG LEU 108 -7.216 -9.743 8.456 936 1HD1 LEU 108 1HD1 LEU 108 -8.272 -8.089 7.409 937 2HD1 LEU 108 2HD1 LEU 108 -9.720 -9.088 7.135 938 3HD1 LEU 108 3HD1 LEU 108 -9.526 -8.203 8.667 939 1HD2 LEU 108 1HD2 LEU 108 -8.326 -11.152 10.277 940 2HD2 LEU 108 2HD2 LEU 108 -8.181 -9.402 10.567 941 3HD2 LEU 108 3HD2 LEU 108 -9.742 -10.095 10.068 942 H GLU 109 H GLU 109 -5.956 -13.487 5.653 943 HA GLU 109 HA GLU 109 -8.119 -15.028 4.668 944 1HB GLU 109 1HB GLU 109 -7.487 -12.986 2.982 945 2HB GLU 109 2HB GLU 109 -6.320 -14.172 2.431 946 1HG GLU 109 1HG GLU 109 -9.325 -14.267 2.318 947 2HG GLU 109 2HG GLU 109 -8.155 -14.734 1.100 948 H TYR 110 H TYR 110 -6.200 -16.041 2.439 949 HA TYR 110 HA TYR 110 -4.036 -17.119 4.055 950 1HB TYR 110 1HB TYR 110 -6.555 -18.454 3.192 951 2HB TYR 110 2HB TYR 110 -5.147 -19.295 2.574 952 HD1 TYR 110 HD1 TYR 110 -7.376 -19.099 5.263 953 HD2 TYR 110 HD2 TYR 110 -3.223 -19.682 4.420 954 HE1 TYR 110 HE1 TYR 110 -7.077 -20.258 7.506 955 HE2 TYR 110 HE2 TYR 110 -2.937 -20.840 6.666 956 HH TYR 110 HH TYR 110 -5.126 -22.166 8.299 Start of MODEL 11 1 HA MET 1 HA MET 1 -15.581 2.902 10.284 2 1HB MET 1 1HB MET 1 -13.189 4.694 9.617 3 2HB MET 1 2HB MET 1 -14.654 4.727 8.655 4 1HG MET 1 1HG MET 1 -15.460 6.248 10.146 5 2HG MET 1 2HG MET 1 -15.630 4.921 11.277 6 1HE MET 1 1HE MET 1 -13.791 8.509 12.237 7 2HE MET 1 2HE MET 1 -13.153 8.238 10.598 8 3HE MET 1 3HE MET 1 -14.896 8.062 10.914 9 H GLU 2 H GLU 2 -16.005 1.241 8.894 10 HA GLU 2 HA GLU 2 -13.974 -0.140 7.589 11 1HB GLU 2 1HB GLU 2 -16.422 -0.847 8.228 12 2HB GLU 2 2HB GLU 2 -16.866 -0.160 6.678 13 1HG GLU 2 1HG GLU 2 -14.840 -1.648 5.777 14 2HG GLU 2 2HG GLU 2 -15.103 -2.549 7.256 15 H TRP 3 H TRP 3 -13.077 0.034 5.535 16 HA TRP 3 HA TRP 3 -14.048 2.310 3.948 17 1HB TRP 3 1HB TRP 3 -11.301 1.088 3.784 18 2HB TRP 3 2HB TRP 3 -11.851 2.626 3.151 19 HD1 TRP 3 HD1 TRP 3 -10.442 1.073 6.315 20 HE1 TRP 3 HE1 TRP 3 -10.026 2.868 8.203 21 HE3 TRP 3 HE3 TRP 3 -12.915 4.859 3.990 22 HZ2 TRP 3 HZ2 TRP 3 -10.762 5.609 8.506 23 HZ3 TRP 3 HZ3 TRP 3 -13.020 7.062 5.150 24 HH2 TRP 3 HH2 TRP 3 -11.994 7.469 7.332 25 H GLU 4 H GLU 4 -13.900 1.981 1.542 26 HA GLU 4 HA GLU 4 -14.037 -0.844 0.855 27 1HB GLU 4 1HB GLU 4 -15.981 -0.412 -0.601 28 2HB GLU 4 2HB GLU 4 -16.350 0.002 1.062 29 1HG GLU 4 1HG GLU 4 -15.231 2.190 -0.675 30 2HG GLU 4 2HG GLU 4 -16.874 1.676 -1.002 31 H MET 5 H MET 5 -13.535 -1.309 -1.436 32 HA MET 5 HA MET 5 -12.620 0.850 -3.042 33 1HB MET 5 1HB MET 5 -10.710 -1.033 -1.604 34 2HB MET 5 2HB MET 5 -10.271 -0.444 -3.195 35 1HG MET 5 1HG MET 5 -10.924 1.935 -2.153 36 2HG MET 5 2HG MET 5 -10.634 1.118 -0.630 37 1HE MET 5 1HE MET 5 -8.915 1.035 0.425 38 2HE MET 5 2HE MET 5 -7.239 0.717 -0.085 39 3HE MET 5 3HE MET 5 -7.834 2.391 0.025 40 H GLY 6 H GLY 6 -11.886 0.069 -5.234 41 1HA GLY 6 1HA GLY 6 -12.730 -2.703 -5.789 42 2HA GLY 6 2HA GLY 6 -13.414 -1.366 -6.692 43 H LEU 7 H LEU 7 -10.074 -2.242 -5.530 44 HA LEU 7 HA LEU 7 -8.931 -1.208 -7.933 45 1HB LEU 7 1HB LEU 7 -6.845 -1.736 -6.953 46 2HB LEU 7 2HB LEU 7 -7.874 -1.061 -5.706 47 HG LEU 7 HG LEU 7 -7.591 -4.046 -6.025 48 1HD1 LEU 7 1HD1 LEU 7 -5.327 -2.884 -5.848 49 2HD1 LEU 7 2HD1 LEU 7 -5.822 -2.414 -4.204 50 3HD1 LEU 7 3HD1 LEU 7 -5.697 -4.136 -4.638 51 1HD2 LEU 7 1HD2 LEU 7 -7.919 -3.728 -3.432 52 2HD2 LEU 7 2HD2 LEU 7 -8.617 -2.169 -3.932 53 3HD2 LEU 7 3HD2 LEU 7 -9.306 -3.691 -4.547 54 H GLN 8 H GLN 8 -7.239 -2.704 -9.119 55 HA GLN 8 HA GLN 8 -8.717 -4.600 -10.455 56 1HB GLN 8 1HB GLN 8 -5.902 -3.675 -10.405 57 2HB GLN 8 2HB GLN 8 -6.082 -5.336 -10.935 58 1HG GLN 8 1HG GLN 8 -7.852 -4.564 -12.582 59 2HG GLN 8 2HG GLN 8 -7.525 -2.910 -12.104 60 1HE2 GLN 8 1HE2 GLN 8 -7.059 -2.705 -14.406 61 2HE2 GLN 8 2HE2 GLN 8 -5.466 -3.045 -14.994 62 H GLU 9 H GLU 9 -8.557 -6.953 -10.528 63 HA GLU 9 HA GLU 9 -8.509 -8.069 -7.976 64 1HB GLU 9 1HB GLU 9 -9.730 -8.813 -10.189 65 2HB GLU 9 2HB GLU 9 -8.258 -9.708 -10.512 66 1HG GLU 9 1HG GLU 9 -8.531 -10.659 -8.089 67 2HG GLU 9 2HG GLU 9 -10.166 -10.034 -8.166 68 H GLU 10 H GLU 10 -6.150 -8.013 -10.696 69 HA GLU 10 HA GLU 10 -4.406 -9.888 -9.791 70 1HB GLU 10 1HB GLU 10 -4.474 -8.126 -11.885 71 2HB GLU 10 2HB GLU 10 -3.187 -7.413 -10.933 72 1HG GLU 10 1HG GLU 10 -2.173 -9.801 -10.799 73 2HG GLU 10 2HG GLU 10 -3.320 -10.245 -12.047 74 H PHE 11 H PHE 11 -4.890 -6.516 -8.704 75 HA PHE 11 HA PHE 11 -2.520 -6.397 -7.166 76 1HB PHE 11 1HB PHE 11 -5.032 -4.876 -7.714 77 2HB PHE 11 2HB PHE 11 -4.457 -4.647 -6.075 78 HD1 PHE 11 HD1 PHE 11 -3.825 -3.973 -9.591 79 HD2 PHE 11 HD2 PHE 11 -2.273 -3.592 -5.660 80 HE1 PHE 11 HE1 PHE 11 -2.175 -2.267 -10.408 81 HE2 PHE 11 HE2 PHE 11 -0.623 -1.886 -6.477 82 HZ PHE 11 HZ PHE 11 -0.594 -1.244 -8.841 83 H LEU 12 H LEU 12 -5.948 -7.285 -6.491 84 HA LEU 12 HA LEU 12 -5.859 -7.356 -3.756 85 1HB LEU 12 1HB LEU 12 -7.386 -8.840 -5.852 86 2HB LEU 12 2HB LEU 12 -7.525 -9.357 -4.183 87 HG LEU 12 HG LEU 12 -8.178 -6.983 -3.595 88 1HD1 LEU 12 1HD1 LEU 12 -7.207 -5.987 -5.689 89 2HD1 LEU 12 2HD1 LEU 12 -8.599 -6.658 -6.573 90 3HD1 LEU 12 3HD1 LEU 12 -8.857 -5.454 -5.287 91 1HD2 LEU 12 1HD2 LEU 12 -10.189 -8.019 -5.545 92 2HD2 LEU 12 2HD2 LEU 12 -9.703 -9.065 -4.189 93 3HD2 LEU 12 3HD2 LEU 12 -10.395 -7.456 -3.869 94 H GLU 13 H GLU 13 -4.633 -9.740 -6.147 95 HA GLU 13 HA GLU 13 -4.044 -11.667 -4.190 96 1HB GLU 13 1HB GLU 13 -4.342 -11.922 -6.775 97 2HB GLU 13 2HB GLU 13 -2.657 -11.451 -6.881 98 1HG GLU 13 1HG GLU 13 -2.180 -13.655 -6.561 99 2HG GLU 13 2HG GLU 13 -2.573 -13.373 -4.877 100 H LEU 14 H LEU 14 -2.474 -8.741 -5.325 101 HA LEU 14 HA LEU 14 0.154 -9.499 -4.514 102 1HB LEU 14 1HB LEU 14 -1.155 -6.929 -5.366 103 2HB LEU 14 2HB LEU 14 0.490 -6.961 -4.762 104 HG LEU 14 HG LEU 14 -0.617 -8.188 -7.281 105 1HD1 LEU 14 1HD1 LEU 14 0.180 -6.245 -8.046 106 2HD1 LEU 14 2HD1 LEU 14 1.130 -5.942 -6.571 107 3HD1 LEU 14 3HD1 LEU 14 1.787 -6.987 -7.854 108 1HD2 LEU 14 1HD2 LEU 14 1.902 -8.970 -5.816 109 2HD2 LEU 14 2HD2 LEU 14 0.615 -10.012 -6.469 110 3HD2 LEU 14 3HD2 LEU 14 1.724 -9.168 -7.576 111 H ILE 15 H ILE 15 -2.603 -7.666 -3.097 112 HA ILE 15 HA ILE 15 -1.285 -6.716 -0.856 113 HB ILE 15 HB ILE 15 -4.016 -7.048 -1.798 114 1HG1 ILE 15 1HG1 ILE 15 -4.047 -4.876 -0.211 115 2HG1 ILE 15 2HG1 ILE 15 -2.315 -5.012 -0.442 116 1HG2 ILE 15 1HG2 ILE 15 -5.124 -6.925 0.369 117 2HG2 ILE 15 2HG2 ILE 15 -4.223 -8.451 0.202 118 3HG2 ILE 15 3HG2 ILE 15 -3.563 -7.131 1.197 119 1HD1 ILE 15 1HD1 ILE 15 -3.788 -5.424 -2.958 120 2HD1 ILE 15 2HD1 ILE 15 -4.120 -3.837 -2.226 121 3HD1 ILE 15 3HD1 ILE 15 -2.446 -4.310 -2.600 122 H LYS 16 H LYS 16 -2.649 -9.931 -1.616 123 HA LYS 16 HA LYS 16 -2.532 -10.923 1.011 124 1HB LYS 16 1HB LYS 16 -3.477 -11.793 -1.455 125 2HB LYS 16 2HB LYS 16 -2.171 -12.907 -1.109 126 1HG LYS 16 1HG LYS 16 -3.160 -13.266 1.202 127 2HG LYS 16 2HG LYS 16 -4.513 -12.253 0.740 128 1HD LYS 16 1HD LYS 16 -3.812 -14.528 -1.103 129 2HD LYS 16 2HD LYS 16 -4.544 -14.943 0.434 130 1HE LYS 16 1HE LYS 16 -6.158 -12.841 -0.385 131 2HE LYS 16 2HE LYS 16 -5.741 -13.573 -1.922 132 1HZ LYS 16 1HZ LYS 16 -6.581 -15.288 0.274 133 2HZ LYS 16 2HZ LYS 16 -7.712 -14.465 -0.568 134 3HZ LYS 16 3HZ LYS 16 -6.734 -15.523 -1.335 135 H LEU 17 H LEU 17 -0.128 -10.402 -1.530 136 HA LEU 17 HA LEU 17 1.799 -12.100 -0.208 137 1HB LEU 17 1HB LEU 17 1.745 -10.457 -2.716 138 2HB LEU 17 2HB LEU 17 3.271 -11.014 -2.059 139 HG LEU 17 HG LEU 17 1.469 -13.242 -2.148 140 1HD1 LEU 17 1HD1 LEU 17 1.138 -11.362 -4.359 141 2HD1 LEU 17 2HD1 LEU 17 1.640 -12.983 -4.896 142 3HD1 LEU 17 3HD1 LEU 17 0.174 -12.787 -3.905 143 1HD2 LEU 17 1HD2 LEU 17 4.128 -12.469 -3.243 144 2HD2 LEU 17 2HD2 LEU 17 3.650 -13.869 -2.253 145 3HD2 LEU 17 3HD2 LEU 17 3.294 -13.849 -3.997 146 H ARG 18 H ARG 18 0.714 -8.762 -0.205 147 HA ARG 18 HA ARG 18 3.152 -7.739 0.786 148 1HB ARG 18 1HB ARG 18 0.318 -6.583 0.809 149 2HB ARG 18 2HB ARG 18 1.752 -5.675 1.244 150 1HG ARG 18 1HG ARG 18 2.599 -5.683 -0.966 151 2HG ARG 18 2HG ARG 18 1.670 -7.095 -1.428 152 1HD ARG 18 1HD ARG 18 -0.073 -5.812 -2.130 153 2HD ARG 18 2HD ARG 18 -0.141 -4.962 -0.598 154 HE ARG 18 HE ARG 18 2.063 -4.141 -2.383 155 1HH1 ARG 18 2HH2 ARG 18 -1.228 -3.528 -1.300 156 2HH1 ARG 18 1HH2 ARG 18 -1.238 -1.885 -1.849 157 1HH2 ARG 18 2HH1 ARG 18 2.050 -1.974 -3.107 158 2HH2 ARG 18 1HH1 ARG 18 0.639 -0.995 -2.883 159 H LYS 19 H LYS 19 1.052 -9.894 2.133 160 HA LYS 19 HA LYS 19 0.581 -8.729 4.678 161 1HB LYS 19 1HB LYS 19 -0.781 -10.544 3.579 162 2HB LYS 19 2HB LYS 19 0.532 -11.658 3.904 163 1HG LYS 19 1HG LYS 19 0.369 -11.016 6.368 164 2HG LYS 19 2HG LYS 19 -1.058 -10.077 5.977 165 1HD LYS 19 1HD LYS 19 -1.865 -12.215 6.719 166 2HD LYS 19 2HD LYS 19 -2.077 -12.203 4.980 167 1HE LYS 19 1HE LYS 19 -0.509 -13.853 4.640 168 2HE LYS 19 2HE LYS 19 0.578 -13.218 5.859 169 1HZ LYS 19 1HZ LYS 19 -1.072 -15.361 6.121 170 2HZ LYS 19 2HZ LYS 19 -0.238 -14.631 7.321 171 3HZ LYS 19 3HZ LYS 19 -1.788 -14.206 7.028 172 H LYS 20 H LYS 20 3.387 -9.879 3.110 173 HA LYS 20 HA LYS 20 4.662 -10.285 5.726 174 1HB LYS 20 1HB LYS 20 4.434 -12.363 4.308 175 2HB LYS 20 2HB LYS 20 5.482 -11.605 3.125 176 1HG LYS 20 1HG LYS 20 7.350 -12.017 4.363 177 2HG LYS 20 2HG LYS 20 6.616 -11.393 5.826 178 1HD LYS 20 1HD LYS 20 5.439 -13.974 5.019 179 2HD LYS 20 2HD LYS 20 7.170 -14.093 5.263 180 1HE LYS 20 1HE LYS 20 5.772 -12.518 7.362 181 2HE LYS 20 2HE LYS 20 5.265 -14.193 7.282 182 1HZ LYS 20 1HZ LYS 20 7.940 -13.139 7.776 183 2HZ LYS 20 2HZ LYS 20 7.092 -14.228 8.648 184 3HZ LYS 20 3HZ LYS 20 7.751 -14.663 7.218 185 H LYS 21 H LYS 21 4.218 -8.189 3.168 186 HA LYS 21 HA LYS 21 6.949 -7.146 3.469 187 1HB LYS 21 1HB LYS 21 5.100 -6.992 1.070 188 2HB LYS 21 2HB LYS 21 6.623 -6.138 1.211 189 1HG LYS 21 1HG LYS 21 7.372 -8.050 0.128 190 2HG LYS 21 2HG LYS 21 7.573 -8.575 1.788 191 1HD LYS 21 1HD LYS 21 5.212 -9.563 1.666 192 2HD LYS 21 2HD LYS 21 5.216 -9.199 -0.048 193 1HE LYS 21 1HE LYS 21 7.515 -10.778 1.137 194 2HE LYS 21 2HE LYS 21 5.998 -11.589 0.804 195 1HZ LYS 21 1HZ LYS 21 6.632 -11.689 -1.285 196 2HZ LYS 21 2HZ LYS 21 6.581 -10.062 -1.406 197 3HZ LYS 21 3HZ LYS 21 7.976 -10.807 -1.001 198 H ILE 22 H ILE 22 4.771 -5.141 1.731 199 HA ILE 22 HA ILE 22 3.476 -3.914 3.919 200 HB ILE 22 HB ILE 22 6.104 -3.290 3.908 201 1HG1 ILE 22 1HG1 ILE 22 5.031 -0.991 4.919 202 2HG1 ILE 22 2HG1 ILE 22 3.629 -2.042 4.940 203 1HG2 ILE 22 1HG2 ILE 22 5.019 -0.809 2.670 204 2HG2 ILE 22 2HG2 ILE 22 6.677 -1.455 2.698 205 3HG2 ILE 22 3HG2 ILE 22 5.472 -2.144 1.584 206 1HD1 ILE 22 1HD1 ILE 22 4.877 -3.756 6.205 207 2HD1 ILE 22 2HD1 ILE 22 6.352 -2.763 6.120 208 3HD1 ILE 22 3HD1 ILE 22 4.948 -2.193 7.055 209 H GLU 23 H GLU 23 3.164 -1.318 2.857 210 HA GLU 23 HA GLU 23 2.513 -1.690 0.083 211 1HB GLU 23 1HB GLU 23 0.444 -2.485 0.884 212 2HB GLU 23 2HB GLU 23 0.443 -1.409 2.267 213 1HG GLU 23 1HG GLU 23 0.093 0.548 0.764 214 2HG GLU 23 2HG GLU 23 0.140 -0.504 -0.636 215 H GLY 24 H GLY 24 2.924 0.192 -1.023 216 1HA GLY 24 1HA GLY 24 3.512 2.573 0.581 217 2HA GLY 24 2HA GLY 24 4.008 2.255 -1.069 218 H ARG 25 H ARG 25 2.478 4.566 0.264 219 HA ARG 25 HA ARG 25 0.878 5.165 -1.865 220 1HB ARG 25 1HB ARG 25 -0.652 3.387 -1.043 221 2HB ARG 25 2HB ARG 25 -0.702 4.129 0.543 222 1HG ARG 25 1HG ARG 25 -2.526 5.271 -0.194 223 2HG ARG 25 2HG ARG 25 -1.409 6.252 -1.123 224 1HD ARG 25 1HD ARG 25 -2.949 5.502 -2.761 225 2HD ARG 25 2HD ARG 25 -1.599 4.404 -2.962 226 HE ARG 25 HE ARG 25 -3.334 3.244 -1.035 227 1HH1 ARG 25 2HH2 ARG 25 -3.373 4.086 -4.451 228 2HH1 ARG 25 1HH2 ARG 25 -4.500 2.841 -4.876 229 1HH2 ARG 25 2HH1 ARG 25 -4.820 1.600 -1.595 230 2HH2 ARG 25 1HH1 ARG 25 -5.328 1.417 -3.241 231 H LEU 26 H LEU 26 1.454 7.325 -1.728 232 HA LEU 26 HA LEU 26 2.231 8.736 0.401 233 1HB LEU 26 1HB LEU 26 2.401 10.244 -1.186 234 2HB LEU 26 2HB LEU 26 1.395 9.268 -2.239 235 HG LEU 26 HG LEU 26 -0.596 10.408 -0.980 236 1HD1 LEU 26 1HD1 LEU 26 -0.199 12.082 0.426 237 2HD1 LEU 26 2HD1 LEU 26 1.516 11.605 0.393 238 3HD1 LEU 26 3HD1 LEU 26 0.922 12.866 -0.714 239 1HD2 LEU 26 1HD2 LEU 26 0.873 10.996 -3.348 240 2HD2 LEU 26 2HD2 LEU 26 -0.848 11.285 -2.998 241 3HD2 LEU 26 3HD2 LEU 26 0.359 12.536 -2.617 242 H TYR 27 H TYR 27 1.234 10.267 1.891 243 HA TYR 27 HA TYR 27 -1.133 9.166 3.042 244 1HB TYR 27 1HB TYR 27 1.070 10.445 3.963 245 2HB TYR 27 2HB TYR 27 0.130 11.887 3.632 246 HD1 TYR 27 HD1 TYR 27 -0.283 12.728 5.795 247 HD2 TYR 27 HD2 TYR 27 -1.127 8.622 4.940 248 HE1 TYR 27 HE1 TYR 27 -1.436 12.488 8.048 249 HE2 TYR 27 HE2 TYR 27 -2.277 8.395 7.196 250 HH TYR 27 HH TYR 27 -2.529 9.348 9.188 251 H ASP 28 H ASP 28 -2.891 9.420 1.610 252 HA ASP 28 HA ASP 28 -3.389 12.028 0.556 253 1HB ASP 28 1HB ASP 28 -5.037 9.456 0.491 254 2HB ASP 28 2HB ASP 28 -5.446 10.912 -0.395 255 H GLU 29 H GLU 29 -6.028 12.563 0.744 256 HA GLU 29 HA GLU 29 -6.384 13.323 3.378 257 1HB GLU 29 1HB GLU 29 -8.291 13.159 1.014 258 2HB GLU 29 2HB GLU 29 -8.788 13.810 2.564 259 1HG GLU 29 1HG GLU 29 -6.358 14.833 1.025 260 2HG GLU 29 2HG GLU 29 -7.956 15.536 0.872 261 H LYS 30 H LYS 30 -7.639 10.533 1.481 262 HA LYS 30 HA LYS 30 -9.433 9.643 3.455 263 1HB LYS 30 1HB LYS 30 -8.207 8.506 0.970 264 2HB LYS 30 2HB LYS 30 -8.999 7.411 2.085 265 1HG LYS 30 1HG LYS 30 -11.085 8.192 1.562 266 2HG LYS 30 2HG LYS 30 -10.574 9.867 1.614 267 1HD LYS 30 1HD LYS 30 -9.327 8.628 -0.680 268 2HD LYS 30 2HD LYS 30 -11.030 8.215 -0.703 269 1HE LYS 30 1HE LYS 30 -11.702 10.397 -1.059 270 2HE LYS 30 2HE LYS 30 -10.447 11.066 -0.036 271 1HZ LYS 30 1HZ LYS 30 -8.979 11.091 -1.738 272 2HZ LYS 30 2HZ LYS 30 -9.632 9.813 -2.519 273 3HZ LYS 30 3HZ LYS 30 -10.349 11.278 -2.608 274 H ARG 31 H ARG 31 -6.002 8.808 2.668 275 HA ARG 31 HA ARG 31 -5.738 6.810 4.508 276 1HB ARG 31 1HB ARG 31 -3.740 8.839 3.412 277 2HB ARG 31 2HB ARG 31 -3.237 7.541 4.477 278 1HG ARG 31 1HG ARG 31 -4.846 6.993 1.950 279 2HG ARG 31 2HG ARG 31 -3.099 7.119 1.913 280 1HD ARG 31 1HD ARG 31 -2.815 5.218 3.360 281 2HD ARG 31 2HD ARG 31 -4.490 5.251 3.873 282 HE ARG 31 HE ARG 31 -4.163 4.859 0.984 283 1HH1 ARG 31 2HH2 ARG 31 -4.360 3.266 4.115 284 2HH1 ARG 31 1HH2 ARG 31 -4.854 1.744 3.453 285 1HH2 ARG 31 2HH1 ARG 31 -4.815 2.851 0.109 286 2HH2 ARG 31 1HH1 ARG 31 -5.115 1.506 1.159 287 H ARG 32 H ARG 32 -5.459 10.381 4.851 288 HA ARG 32 HA ARG 32 -4.290 10.495 7.299 289 1HB ARG 32 1HB ARG 32 -5.522 12.295 5.520 290 2HB ARG 32 2HB ARG 32 -6.473 12.466 6.982 291 1HG ARG 32 1HG ARG 32 -4.399 12.871 8.303 292 2HG ARG 32 2HG ARG 32 -3.425 12.655 6.862 293 1HD ARG 32 1HD ARG 32 -4.382 14.637 5.814 294 2HD ARG 32 2HD ARG 32 -5.616 14.772 7.051 295 HE ARG 32 HE ARG 32 -2.966 14.840 8.227 296 1HH1 ARG 32 2HH2 ARG 32 -5.307 16.808 6.486 297 2HH1 ARG 32 1HH2 ARG 32 -4.704 18.306 7.111 298 1HH2 ARG 32 2HH1 ARG 32 -2.169 16.817 9.052 299 2HH2 ARG 32 1HH1 ARG 32 -2.907 18.311 8.581 300 H GLN 33 H GLN 33 -7.790 10.154 6.434 301 HA GLN 33 HA GLN 33 -8.607 10.179 9.136 302 1HB GLN 33 1HB GLN 33 -9.842 10.155 6.515 303 2HB GLN 33 2HB GLN 33 -10.591 8.916 7.503 304 1HG GLN 33 1HG GLN 33 -10.188 11.352 9.072 305 2HG GLN 33 2HG GLN 33 -11.070 11.718 7.602 306 1HE2 GLN 33 1HE2 GLN 33 -12.550 9.565 7.090 307 2HE2 GLN 33 2HE2 GLN 33 -13.687 9.228 8.353 308 H ILE 34 H ILE 34 -7.279 7.792 6.966 309 HA ILE 34 HA ILE 34 -8.470 5.517 8.170 310 HB ILE 34 HB ILE 34 -6.196 6.014 6.283 311 1HG1 ILE 34 1HG1 ILE 34 -8.829 4.527 6.061 312 2HG1 ILE 34 2HG1 ILE 34 -8.474 6.113 5.406 313 1HG2 ILE 34 1HG2 ILE 34 -5.759 3.631 6.129 314 2HG2 ILE 34 2HG2 ILE 34 -5.453 4.209 7.784 315 3HG2 ILE 34 3HG2 ILE 34 -6.942 3.305 7.418 316 1HD1 ILE 34 1HD1 ILE 34 -8.234 4.484 3.615 317 2HD1 ILE 34 2HD1 ILE 34 -6.608 5.072 4.039 318 3HD1 ILE 34 3HD1 ILE 34 -7.156 3.479 4.612 319 H LYS 35 H LYS 35 -7.493 3.980 9.619 320 HA LYS 35 HA LYS 35 -5.077 4.846 10.965 321 1HB LYS 35 1HB LYS 35 -5.986 5.057 13.112 322 2HB LYS 35 2HB LYS 35 -7.081 5.962 12.086 323 1HG LYS 35 1HG LYS 35 -8.575 4.679 13.371 324 2HG LYS 35 2HG LYS 35 -8.434 3.713 11.916 325 1HD LYS 35 1HD LYS 35 -7.255 2.027 12.974 326 2HD LYS 35 2HD LYS 35 -6.395 3.136 14.024 327 1HE LYS 35 1HE LYS 35 -9.174 3.290 14.743 328 2HE LYS 35 2HE LYS 35 -8.779 1.589 14.598 329 1HZ LYS 35 1HZ LYS 35 -6.671 2.739 15.906 330 2HZ LYS 35 2HZ LYS 35 -7.998 3.401 16.588 331 3HZ LYS 35 3HZ LYS 35 -7.821 1.778 16.555 332 HA PRO 36 HA PRO 36 -4.536 0.576 11.268 333 1HB PRO 36 1HB PRO 36 -3.005 0.284 13.512 334 2HB PRO 36 2HB PRO 36 -2.354 0.798 11.969 335 1HG PRO 36 1HG PRO 36 -2.896 2.416 14.383 336 2HG PRO 36 2HG PRO 36 -1.876 2.799 13.011 337 1HD PRO 36 1HD PRO 36 -4.496 3.836 13.544 338 2HD PRO 36 2HD PRO 36 -3.524 4.129 12.116 339 H GLY 37 H GLY 37 -6.370 -0.584 11.423 340 1HA GLY 37 1HA GLY 37 -7.030 -2.119 13.453 341 2HA GLY 37 2HA GLY 37 -7.674 -0.599 14.041 342 H ASP 38 H ASP 38 -8.241 0.376 11.212 343 HA ASP 38 HA ASP 38 -10.846 -0.686 11.095 344 1HB ASP 38 1HB ASP 38 -9.444 0.963 8.950 345 2HB ASP 38 2HB ASP 38 -11.168 0.865 9.248 346 H VAL 39 H VAL 39 -11.547 -1.098 8.483 347 HA VAL 39 HA VAL 39 -9.574 -2.905 7.314 348 HB VAL 39 HB VAL 39 -12.455 -3.657 7.841 349 1HG1 VAL 39 1HG1 VAL 39 -12.085 -5.081 6.146 350 2HG1 VAL 39 2HG1 VAL 39 -10.333 -4.768 6.149 351 3HG1 VAL 39 3HG1 VAL 39 -11.026 -5.958 7.276 352 1HG2 VAL 39 1HG2 VAL 39 -11.068 -5.475 9.252 353 2HG2 VAL 39 2HG2 VAL 39 -9.959 -4.091 9.410 354 3HG2 VAL 39 3HG2 VAL 39 -11.648 -3.944 9.952 355 H ILE 40 H ILE 40 -9.896 -3.250 5.016 356 HA ILE 40 HA ILE 40 -11.788 -1.333 3.844 357 HB ILE 40 HB ILE 40 -9.040 -1.924 2.756 358 1HG1 ILE 40 1HG1 ILE 40 -9.201 0.730 3.781 359 2HG1 ILE 40 2HG1 ILE 40 -9.713 -0.353 5.060 360 1HG2 ILE 40 1HG2 ILE 40 -10.087 0.614 1.997 361 2HG2 ILE 40 2HG2 ILE 40 -9.734 -0.801 0.977 362 3HG2 ILE 40 3HG2 ILE 40 -11.344 -0.613 1.710 363 1HD1 ILE 40 1HD1 ILE 40 -7.189 0.102 4.907 364 2HD1 ILE 40 2HD1 ILE 40 -7.666 -1.612 4.968 365 3HD1 ILE 40 3HD1 ILE 40 -7.201 -0.872 3.417 366 H SER 41 H SER 41 -13.170 -2.200 2.378 367 HA SER 41 HA SER 41 -12.741 -4.984 1.757 368 1HB SER 41 1HB SER 41 -14.977 -3.747 2.570 369 2HB SER 41 2HB SER 41 -15.175 -3.452 0.854 370 HG SER 41 HG SER 41 -14.481 -6.102 1.604 371 H PHE 42 H PHE 42 -11.977 -5.652 -0.222 372 HA PHE 42 HA PHE 42 -11.890 -3.619 -2.330 373 1HB PHE 42 1HB PHE 42 -10.323 -6.202 -1.746 374 2HB PHE 42 2HB PHE 42 -10.066 -5.240 -3.188 375 HD1 PHE 42 HD1 PHE 42 -8.646 -5.952 -0.200 376 HD2 PHE 42 HD2 PHE 42 -9.850 -2.554 -2.437 377 HE1 PHE 42 HE1 PHE 42 -6.975 -4.546 1.037 378 HE2 PHE 42 HE2 PHE 42 -8.179 -1.147 -1.201 379 HZ PHE 42 HZ PHE 42 -6.761 -2.160 0.521 380 H GLU 43 H GLU 43 -12.718 -4.045 -4.388 381 HA GLU 43 HA GLU 43 -14.177 -4.888 -5.777 382 1HB GLU 43 1HB GLU 43 -12.551 -7.362 -5.080 383 2HB GLU 43 2HB GLU 43 -13.767 -7.384 -6.342 384 1HG GLU 43 1HG GLU 43 -11.913 -5.071 -6.526 385 2HG GLU 43 2HG GLU 43 -11.113 -6.622 -6.683 386 H GLY 44 H GLY 44 -15.347 -4.515 -3.266 387 1HA GLY 44 1HA GLY 44 -17.474 -5.008 -2.523 388 2HA GLY 44 2HA GLY 44 -17.426 -6.558 -3.341 389 H GLY 45 H GLY 45 -15.505 -8.071 -2.444 390 1HA GLY 45 1HA GLY 45 -14.790 -7.762 0.291 391 2HA GLY 45 2HA GLY 45 -16.172 -8.828 0.130 392 H LYS 46 H LYS 46 -13.755 -8.524 -2.472 393 HA LYS 46 HA LYS 46 -13.239 -11.333 -2.306 394 1HB LYS 46 1HB LYS 46 -13.432 -9.724 -4.388 395 2HB LYS 46 2HB LYS 46 -11.726 -9.456 -4.094 396 1HG LYS 46 1HG LYS 46 -12.349 -12.309 -3.913 397 2HG LYS 46 2HG LYS 46 -12.910 -11.661 -5.441 398 1HD LYS 46 1HD LYS 46 -10.462 -10.475 -5.360 399 2HD LYS 46 2HD LYS 46 -10.107 -11.887 -4.385 400 1HE LYS 46 1HE LYS 46 -11.383 -11.993 -7.161 401 2HE LYS 46 2HE LYS 46 -9.674 -12.227 -6.853 402 1HZ LYS 46 1HZ LYS 46 -11.008 -14.282 -6.967 403 2HZ LYS 46 2HZ LYS 46 -10.152 -14.136 -5.584 404 3HZ LYS 46 3HZ LYS 46 -11.760 -13.854 -5.582 405 H LEU 47 H LEU 47 -11.587 -8.278 -1.437 406 HA LEU 47 HA LEU 47 -9.676 -9.889 0.063 407 1HB LEU 47 1HB LEU 47 -8.984 -8.827 -2.366 408 2HB LEU 47 2HB LEU 47 -8.486 -7.557 -1.266 409 HG LEU 47 HG LEU 47 -6.600 -8.942 -1.618 410 1HD1 LEU 47 1HD1 LEU 47 -6.756 -10.241 0.834 411 2HD1 LEU 47 2HD1 LEU 47 -6.168 -8.588 0.535 412 3HD1 LEU 47 3HD1 LEU 47 -7.864 -8.858 1.001 413 1HD2 LEU 47 1HD2 LEU 47 -8.312 -10.947 -2.215 414 2HD2 LEU 47 2HD2 LEU 47 -6.575 -11.177 -1.904 415 3HD2 LEU 47 3HD2 LEU 47 -7.758 -11.471 -0.607 416 H LYS 48 H LYS 48 -9.513 -9.167 2.124 417 HA LYS 48 HA LYS 48 -10.297 -6.378 2.597 418 1HB LYS 48 1HB LYS 48 -11.112 -8.834 4.174 419 2HB LYS 48 2HB LYS 48 -11.313 -7.192 4.751 420 1HG LYS 48 1HG LYS 48 -13.326 -7.233 3.685 421 2HG LYS 48 2HG LYS 48 -12.410 -7.022 2.206 422 1HD LYS 48 1HD LYS 48 -12.880 -9.134 1.495 423 2HD LYS 48 2HD LYS 48 -12.425 -9.838 3.034 424 1HE LYS 48 1HE LYS 48 -14.769 -8.721 3.804 425 2HE LYS 48 2HE LYS 48 -15.128 -8.897 2.098 426 1HZ LYS 48 1HZ LYS 48 -14.681 -10.941 4.083 427 2HZ LYS 48 2HZ LYS 48 -15.709 -10.928 2.814 428 3HZ LYS 48 3HZ LYS 48 -14.128 -11.261 2.580 429 H VAL 49 H VAL 49 -8.862 -5.194 3.779 430 HA VAL 49 HA VAL 49 -6.813 -6.703 5.238 431 HB VAL 49 HB VAL 49 -5.105 -5.241 4.415 432 1HG1 VAL 49 1HG1 VAL 49 -5.525 -5.667 1.807 433 2HG1 VAL 49 2HG1 VAL 49 -5.128 -6.984 2.937 434 3HG1 VAL 49 3HG1 VAL 49 -6.819 -6.703 2.456 435 1HG2 VAL 49 1HG2 VAL 49 -7.320 -3.816 2.905 436 2HG2 VAL 49 2HG2 VAL 49 -6.315 -3.159 4.219 437 3HG2 VAL 49 3HG2 VAL 49 -5.580 -3.546 2.645 438 H ARG 50 H ARG 50 -5.934 -5.585 7.094 439 HA ARG 50 HA ARG 50 -7.606 -3.331 7.872 440 1HB ARG 50 1HB ARG 50 -8.276 -5.232 9.230 441 2HB ARG 50 2HB ARG 50 -6.612 -5.692 9.533 442 1HG ARG 50 1HG ARG 50 -6.777 -3.011 10.428 443 2HG ARG 50 2HG ARG 50 -8.283 -3.739 10.951 444 1HD ARG 50 1HD ARG 50 -5.991 -5.533 11.417 445 2HD ARG 50 2HD ARG 50 -5.778 -3.991 12.220 446 HE ARG 50 HE ARG 50 -8.463 -5.047 12.613 447 1HH1 ARG 50 2HH2 ARG 50 -5.142 -5.260 13.755 448 2HH1 ARG 50 1HH2 ARG 50 -5.585 -5.826 15.331 449 1HH2 ARG 50 2HH1 ARG 50 -9.048 -5.793 14.692 450 2HH2 ARG 50 1HH1 ARG 50 -7.822 -6.130 15.868 451 H VAL 51 H VAL 51 -6.393 -1.484 8.141 452 HA VAL 51 HA VAL 51 -3.716 -1.295 7.826 453 HB VAL 51 HB VAL 51 -5.528 0.399 9.555 454 1HG1 VAL 51 1HG1 VAL 51 -2.836 0.565 9.597 455 2HG1 VAL 51 2HG1 VAL 51 -3.174 1.591 8.183 456 3HG1 VAL 51 3HG1 VAL 51 -3.906 1.978 9.759 457 1HG2 VAL 51 1HG2 VAL 51 -6.475 1.099 7.663 458 2HG2 VAL 51 2HG2 VAL 51 -4.884 1.584 7.027 459 3HG2 VAL 51 3HG2 VAL 51 -5.490 -0.065 6.744 460 H LYS 52 H LYS 52 -1.993 -2.111 8.889 461 HA LYS 52 HA LYS 52 -2.391 -3.116 11.566 462 1HB LYS 52 1HB LYS 52 -0.917 -3.952 9.376 463 2HB LYS 52 2HB LYS 52 0.309 -3.272 10.426 464 1HG LYS 52 1HG LYS 52 -1.378 -4.729 12.170 465 2HG LYS 52 2HG LYS 52 -1.247 -5.742 10.746 466 1HD LYS 52 1HD LYS 52 0.963 -6.211 11.124 467 2HD LYS 52 2HD LYS 52 1.343 -4.555 11.554 468 1HE LYS 52 1HE LYS 52 1.381 -5.144 13.743 469 2HE LYS 52 2HE LYS 52 -0.321 -5.549 13.656 470 1HZ LYS 52 1HZ LYS 52 1.399 -7.337 14.264 471 2HZ LYS 52 2HZ LYS 52 0.151 -7.733 13.288 472 3HZ LYS 52 3HZ LYS 52 1.630 -7.459 12.652 473 H ALA 53 H ALA 53 -0.305 -0.693 9.860 474 HA ALA 53 HA ALA 53 -0.389 1.008 12.146 475 1HB ALA 53 1HB ALA 53 1.869 0.880 12.844 476 2HB ALA 53 2HB ALA 53 1.365 -0.819 12.678 477 3HB ALA 53 3HB ALA 53 2.352 -0.055 11.409 478 H ILE 54 H ILE 54 0.527 3.126 11.654 479 HA ILE 54 HA ILE 54 0.867 3.468 8.758 480 HB ILE 54 HB ILE 54 -1.139 4.468 9.996 481 1HG1 ILE 54 1HG1 ILE 54 -0.180 6.806 8.707 482 2HG1 ILE 54 2HG1 ILE 54 0.520 5.445 7.853 483 1HG2 ILE 54 1HG2 ILE 54 0.947 6.489 10.861 484 2HG2 ILE 54 2HG2 ILE 54 -0.810 6.568 11.135 485 3HG2 ILE 54 3HG2 ILE 54 0.159 5.308 11.935 486 1HD1 ILE 54 1HD1 ILE 54 -1.870 4.410 7.896 487 2HD1 ILE 54 2HD1 ILE 54 -2.417 6.045 8.340 488 3HD1 ILE 54 3HD1 ILE 54 -1.581 5.777 6.792 489 H ARG 55 H ARG 55 2.592 4.731 7.971 490 HA ARG 55 HA ARG 55 4.425 5.693 9.991 491 1HB ARG 55 1HB ARG 55 5.199 3.855 7.669 492 2HB ARG 55 2HB ARG 55 6.358 4.688 8.686 493 1HG ARG 55 1HG ARG 55 4.311 3.156 10.204 494 2HG ARG 55 2HG ARG 55 5.328 2.158 9.184 495 1HD ARG 55 1HD ARG 55 6.861 4.211 10.673 496 2HD ARG 55 2HD ARG 55 6.003 3.106 11.728 497 HE ARG 55 HE ARG 55 7.311 1.611 9.646 498 1HH1 ARG 55 2HH2 ARG 55 8.023 3.417 12.580 499 2HH1 ARG 55 1HH2 ARG 55 9.468 2.527 12.930 500 1HH2 ARG 55 2HH1 ARG 55 9.216 0.436 10.107 501 2HH2 ARG 55 1HH1 ARG 55 10.150 0.820 11.513 502 H VAL 56 H VAL 56 5.968 7.331 9.120 503 HA VAL 56 HA VAL 56 5.134 8.368 6.503 504 HB VAL 56 HB VAL 56 5.814 10.036 8.928 505 1HG1 VAL 56 1HG1 VAL 56 4.645 11.812 7.520 506 2HG1 VAL 56 2HG1 VAL 56 6.245 11.275 6.953 507 3HG1 VAL 56 3HG1 VAL 56 4.770 10.673 6.158 508 1HG2 VAL 56 1HG2 VAL 56 3.730 9.843 9.698 509 2HG2 VAL 56 2HG2 VAL 56 3.055 10.251 8.102 510 3HG2 VAL 56 3HG2 VAL 56 3.447 8.560 8.497 511 H TYR 57 H TYR 57 6.797 9.139 5.178 512 HA TYR 57 HA TYR 57 9.496 8.999 6.324 513 1HB TYR 57 1HB TYR 57 8.274 7.804 3.767 514 2HB TYR 57 2HB TYR 57 10.007 7.994 3.939 515 HD1 TYR 57 HD1 TYR 57 11.271 6.265 4.873 516 HD2 TYR 57 HD2 TYR 57 7.071 6.436 5.669 517 HE1 TYR 57 HE1 TYR 57 11.395 4.015 6.051 518 HE2 TYR 57 HE2 TYR 57 7.209 4.186 6.844 519 HH TYR 57 HH TYR 57 8.864 2.130 6.604 520 H ASN 58 H ASN 58 11.128 9.941 4.591 521 HA ASN 58 HA ASN 58 10.220 12.565 4.121 522 1HB ASN 58 1HB ASN 58 12.620 11.801 4.705 523 2HB ASN 58 2HB ASN 58 12.768 11.254 3.047 524 1HD2 ASN 58 1HD2 ASN 58 11.861 14.077 5.000 525 2HD2 ASN 58 2HD2 ASN 58 12.496 15.294 3.945 526 H SER 59 H SER 59 11.052 9.659 2.128 527 HA SER 59 HA SER 59 9.373 10.660 0.043 528 1HB SER 59 1HB SER 59 12.240 10.995 -0.107 529 2HB SER 59 2HB SER 59 11.762 9.815 -1.311 530 HG SER 59 HG SER 59 9.966 11.539 -1.769 531 H PHE 60 H PHE 60 9.582 8.890 -1.921 532 HA PHE 60 HA PHE 60 8.787 6.465 -0.767 533 1HB PHE 60 1HB PHE 60 9.345 7.691 -3.460 534 2HB PHE 60 2HB PHE 60 9.434 5.942 -3.432 535 HD1 PHE 60 HD1 PHE 60 7.332 8.519 -4.184 536 HD2 PHE 60 HD2 PHE 60 7.343 4.919 -1.938 537 HE1 PHE 60 HE1 PHE 60 4.833 8.390 -4.380 538 HE2 PHE 60 HE2 PHE 60 4.844 4.789 -2.134 539 HZ PHE 60 HZ PHE 60 3.619 6.526 -3.352 540 H ARG 61 H ARG 61 11.888 7.633 -2.145 541 HA ARG 61 HA ARG 61 13.113 5.217 -2.452 542 1HB ARG 61 1HB ARG 61 13.889 7.699 -2.977 543 2HB ARG 61 2HB ARG 61 14.623 7.630 -1.387 544 1HG ARG 61 1HG ARG 61 16.405 6.788 -2.587 545 2HG ARG 61 2HG ARG 61 15.557 5.276 -2.333 546 1HD ARG 61 1HD ARG 61 16.021 5.312 -4.676 547 2HD ARG 61 2HD ARG 61 14.327 5.744 -4.562 548 HE ARG 61 HE ARG 61 14.855 7.830 -5.457 549 1HH1 ARG 61 2HH2 ARG 61 17.754 6.477 -3.991 550 2HH1 ARG 61 1HH2 ARG 61 18.777 7.774 -4.512 551 1HH2 ARG 61 2HH1 ARG 61 16.204 9.541 -6.145 552 2HH2 ARG 61 1HH1 ARG 61 17.889 9.529 -5.746 553 H GLU 62 H GLU 62 12.881 7.367 0.451 554 HA GLU 62 HA GLU 62 14.561 5.854 2.055 555 1HB GLU 62 1HB GLU 62 12.616 8.059 2.395 556 2HB GLU 62 2HB GLU 62 12.764 7.045 3.816 557 1HG GLU 62 1HG GLU 62 15.122 7.454 4.008 558 2HG GLU 62 2HG GLU 62 15.236 8.074 2.373 559 H MET 63 H MET 63 11.149 5.507 1.139 560 HA MET 63 HA MET 63 10.542 3.716 3.243 561 1HB MET 63 1HB MET 63 9.205 5.049 1.011 562 2HB MET 63 2HB MET 63 8.770 3.352 0.998 563 1HG MET 63 1HG MET 63 8.297 3.628 3.548 564 2HG MET 63 2HG MET 63 8.384 5.354 3.262 565 1HE MET 63 1HE MET 63 5.479 2.385 1.368 566 2HE MET 63 2HE MET 63 6.776 2.959 0.293 567 3HE MET 63 3HE MET 63 7.183 2.133 1.816 568 H LEU 64 H LEU 64 11.260 3.374 -0.296 569 HA LEU 64 HA LEU 64 11.081 0.539 -0.206 570 1HB LEU 64 1HB LEU 64 12.454 2.204 -2.307 571 2HB LEU 64 2HB LEU 64 11.747 0.609 -2.476 572 HG LEU 64 HG LEU 64 10.052 3.005 -1.775 573 1HD1 LEU 64 1HD1 LEU 64 10.357 2.071 -4.613 574 2HD1 LEU 64 2HD1 LEU 64 9.751 3.621 -3.982 575 3HD1 LEU 64 3HD1 LEU 64 11.493 3.259 -3.929 576 1HD2 LEU 64 1HD2 LEU 64 8.224 1.711 -2.375 577 2HD2 LEU 64 2HD2 LEU 64 9.204 0.585 -3.345 578 3HD2 LEU 64 3HD2 LEU 64 9.290 0.536 -1.568 579 H GLU 65 H GLU 65 13.599 2.966 0.373 580 HA GLU 65 HA GLU 65 15.716 1.106 0.128 581 1HB GLU 65 1HB GLU 65 15.509 3.915 1.277 582 2HB GLU 65 2HB GLU 65 17.008 3.009 1.313 583 1HG GLU 65 1HG GLU 65 15.477 3.334 -1.290 584 2HG GLU 65 2HG GLU 65 16.532 4.611 -0.720 585 H LYS 66 H LYS 66 13.828 2.555 2.846 586 HA LYS 66 HA LYS 66 15.330 1.029 4.777 587 1HB LYS 66 1HB LYS 66 14.280 3.436 4.977 588 2HB LYS 66 2HB LYS 66 12.824 2.561 5.404 589 1HG LYS 66 1HG LYS 66 14.416 1.232 7.054 590 2HG LYS 66 2HG LYS 66 15.495 2.596 6.840 591 1HD LYS 66 1HD LYS 66 12.570 2.962 7.615 592 2HD LYS 66 2HD LYS 66 13.822 2.715 8.816 593 1HE LYS 66 1HE LYS 66 14.889 4.772 8.331 594 2HE LYS 66 2HE LYS 66 14.214 4.862 6.717 595 1HZ LYS 66 1HZ LYS 66 12.912 5.433 9.258 596 2HZ LYS 66 2HZ LYS 66 12.948 6.332 7.896 597 3HZ LYS 66 3HZ LYS 66 12.003 5.002 7.972 598 H GLU 67 H GLU 67 11.802 1.273 3.915 599 HA GLU 67 HA GLU 67 11.148 -1.067 5.226 600 1HB GLU 67 1HB GLU 67 9.776 0.958 3.922 601 2HB GLU 67 2HB GLU 67 9.483 -0.406 2.862 602 1HG GLU 67 1HG GLU 67 8.840 -0.192 5.831 603 2HG GLU 67 2HG GLU 67 7.712 -0.408 4.507 604 H GLY 68 H GLY 68 11.734 -0.440 1.694 605 1HA GLY 68 1HA GLY 68 13.215 -2.182 0.686 606 2HA GLY 68 2HA GLY 68 12.096 -3.356 1.350 607 H LEU 69 H LEU 69 12.933 -2.040 -1.497 608 HA LEU 69 HA LEU 69 10.593 -1.015 -2.590 609 1HB LEU 69 1HB LEU 69 12.520 -0.613 -3.784 610 2HB LEU 69 2HB LEU 69 13.088 -2.266 -3.657 611 HG LEU 69 HG LEU 69 11.157 -2.903 -5.211 612 1HD1 LEU 69 1HD1 LEU 69 9.682 -1.365 -5.815 613 2HD1 LEU 69 2HD1 LEU 69 10.563 -0.130 -4.883 614 3HD1 LEU 69 3HD1 LEU 69 10.979 -0.422 -6.589 615 1HD2 LEU 69 1HD2 LEU 69 12.451 -1.870 -7.238 616 2HD2 LEU 69 2HD2 LEU 69 13.601 -1.349 -5.984 617 3HD2 LEU 69 3HD2 LEU 69 13.233 -3.078 -6.190 618 H GLU 70 H GLU 70 11.935 -4.389 -2.834 619 HA GLU 70 HA GLU 70 9.604 -5.359 -4.021 620 1HB GLU 70 1HB GLU 70 12.153 -6.452 -2.982 621 2HB GLU 70 2HB GLU 70 10.814 -7.575 -2.855 622 1HG GLU 70 1HG GLU 70 10.290 -7.193 -5.288 623 2HG GLU 70 2HG GLU 70 11.671 -6.120 -5.402 624 H ASN 71 H ASN 71 10.192 -4.286 -0.853 625 HA ASN 71 HA ASN 71 8.396 -6.208 0.331 626 1HB ASN 71 1HB ASN 71 10.467 -4.329 1.284 627 2HB ASN 71 2HB ASN 71 9.004 -4.207 2.241 628 1HD2 ASN 71 1HD2 ASN 71 11.579 -5.207 3.025 629 2HD2 ASN 71 2HD2 ASN 71 11.392 -6.853 3.531 630 H VAL 72 H VAL 72 7.930 -3.724 -1.669 631 HA VAL 72 HA VAL 72 5.556 -2.792 -0.244 632 HB VAL 72 HB VAL 72 7.527 -1.004 -1.682 633 1HG1 VAL 72 1HG1 VAL 72 6.032 0.685 -1.578 634 2HG1 VAL 72 2HG1 VAL 72 4.831 -0.623 -1.468 635 3HG1 VAL 72 3HG1 VAL 72 5.413 0.179 0.011 636 1HG2 VAL 72 1HG2 VAL 72 8.580 -0.663 0.255 637 2HG2 VAL 72 2HG2 VAL 72 7.044 -0.330 1.090 638 3HG2 VAL 72 3HG2 VAL 72 7.636 -2.003 0.950 639 H LEU 73 H LEU 73 7.435 -2.839 -3.346 640 HA LEU 73 HA LEU 73 4.861 -3.263 -4.698 641 1HB LEU 73 1HB LEU 73 6.146 -1.031 -5.021 642 2HB LEU 73 2HB LEU 73 7.237 -1.981 -6.010 643 HG LEU 73 HG LEU 73 4.846 -2.710 -7.090 644 1HD1 LEU 73 1HD1 LEU 73 3.182 -1.345 -6.564 645 2HD1 LEU 73 2HD1 LEU 73 4.256 -0.412 -5.495 646 3HD1 LEU 73 3HD1 LEU 73 4.109 0.029 -7.213 647 1HD2 LEU 73 1HD2 LEU 73 5.462 -0.546 -8.628 648 2HD2 LEU 73 2HD2 LEU 73 6.994 -0.808 -7.760 649 3HD2 LEU 73 3HD2 LEU 73 6.276 -2.126 -8.717 650 HA PRO 74 HA PRO 74 7.122 -6.994 -5.454 651 1HB PRO 74 1HB PRO 74 4.941 -8.618 -5.728 652 2HB PRO 74 2HB PRO 74 5.728 -8.322 -4.191 653 1HG PRO 74 1HG PRO 74 3.166 -7.245 -5.199 654 2HG PRO 74 2HG PRO 74 3.755 -7.312 -3.550 655 1HD PRO 74 1HD PRO 74 3.683 -5.006 -5.255 656 2HD PRO 74 2HD PRO 74 4.378 -5.101 -3.649 657 H GLY 75 H GLY 75 8.158 -7.087 -7.337 658 1HA GLY 75 1HA GLY 75 7.938 -7.997 -9.558 659 2HA GLY 75 2HA GLY 75 6.391 -7.188 -9.706 660 H VAL 76 H VAL 76 7.773 -4.831 -8.083 661 HA VAL 76 HA VAL 76 8.083 -3.047 -10.046 662 HB VAL 76 HB VAL 76 8.118 -2.458 -7.729 663 1HG1 VAL 76 1HG1 VAL 76 9.479 -3.315 -6.150 664 2HG1 VAL 76 2HG1 VAL 76 9.829 -4.569 -7.364 665 3HG1 VAL 76 3HG1 VAL 76 10.925 -3.178 -7.178 666 1HG2 VAL 76 1HG2 VAL 76 10.863 -1.570 -8.506 667 2HG2 VAL 76 2HG2 VAL 76 9.517 -1.163 -9.597 668 3HG2 VAL 76 3HG2 VAL 76 9.480 -0.628 -7.900 669 H LYS 77 H LYS 77 9.878 -2.126 -11.253 670 HA LYS 77 HA LYS 77 11.671 -4.210 -12.144 671 1HB LYS 77 1HB LYS 77 10.905 -1.475 -13.157 672 2HB LYS 77 2HB LYS 77 12.303 -2.314 -13.799 673 1HG LYS 77 1HG LYS 77 10.455 -4.342 -13.886 674 2HG LYS 77 2HG LYS 77 9.397 -2.961 -14.096 675 1HD LYS 77 1HD LYS 77 9.971 -3.212 -16.310 676 2HD LYS 77 2HD LYS 77 11.354 -2.243 -15.841 677 1HE LYS 77 1HE LYS 77 12.614 -4.401 -15.342 678 2HE LYS 77 2HE LYS 77 11.252 -5.293 -15.992 679 1HZ LYS 77 1HZ LYS 77 11.883 -4.809 -18.040 680 2HZ LYS 77 2HZ LYS 77 12.112 -3.222 -17.728 681 3HZ LYS 77 3HZ LYS 77 13.304 -4.295 -17.421 682 H SER 78 H SER 78 11.686 -1.205 -10.238 683 HA SER 78 HA SER 78 14.078 -1.888 -9.028 684 1HB SER 78 1HB SER 78 14.279 -0.005 -11.376 685 2HB SER 78 2HB SER 78 15.290 0.302 -9.978 686 HG SER 78 HG SER 78 16.478 -1.043 -11.342 687 H ILE 79 H ILE 79 14.906 0.096 -7.642 688 HA ILE 79 HA ILE 79 12.754 1.080 -6.206 689 HB ILE 79 HB ILE 79 15.616 2.026 -6.371 690 1HG1 ILE 79 1HG1 ILE 79 14.195 -0.007 -4.643 691 2HG1 ILE 79 2HG1 ILE 79 15.566 -0.257 -5.705 692 1HG2 ILE 79 1HG2 ILE 79 15.316 3.330 -4.478 693 2HG2 ILE 79 2HG2 ILE 79 13.835 3.650 -5.412 694 3HG2 ILE 79 3HG2 ILE 79 13.792 2.524 -4.033 695 1HD1 ILE 79 1HD1 ILE 79 16.190 -0.118 -3.264 696 2HD1 ILE 79 2HD1 ILE 79 17.015 1.095 -4.273 697 3HD1 ILE 79 3HD1 ILE 79 15.630 1.571 -3.261 698 H GLU 80 H GLU 80 14.714 2.574 -8.842 699 HA GLU 80 HA GLU 80 13.464 5.056 -8.658 700 1HB GLU 80 1HB GLU 80 15.373 3.699 -10.424 701 2HB GLU 80 2HB GLU 80 14.298 4.742 -11.333 702 1HG GLU 80 1HG GLU 80 15.014 6.221 -9.001 703 2HG GLU 80 2HG GLU 80 16.497 5.474 -9.561 704 H GLU 81 H GLU 81 12.785 2.085 -10.582 705 HA GLU 81 HA GLU 81 10.833 3.202 -12.188 706 1HB GLU 81 1HB GLU 81 11.543 0.410 -11.304 707 2HB GLU 81 2HB GLU 81 10.022 0.649 -12.140 708 1HG GLU 81 1HG GLU 81 12.591 1.813 -13.268 709 2HG GLU 81 2HG GLU 81 12.183 0.132 -13.549 710 H GLY 82 H GLY 82 10.730 1.811 -8.885 711 1HA GLY 82 1HA GLY 82 8.000 1.504 -8.550 712 2HA GLY 82 2HA GLY 82 9.153 1.887 -7.287 713 H ILE 83 H ILE 83 10.078 4.435 -8.002 714 HA ILE 83 HA ILE 83 8.050 6.057 -7.026 715 HB ILE 83 HB ILE 83 10.725 6.473 -8.271 716 1HG1 ILE 83 1HG1 ILE 83 9.995 7.818 -5.759 717 2HG1 ILE 83 2HG1 ILE 83 9.814 6.076 -5.697 718 1HG2 ILE 83 1HG2 ILE 83 8.555 8.498 -8.183 719 2HG2 ILE 83 2HG2 ILE 83 10.160 9.014 -7.613 720 3HG2 ILE 83 3HG2 ILE 83 9.968 8.363 -9.258 721 1HD1 ILE 83 1HD1 ILE 83 12.288 7.720 -6.013 722 2HD1 ILE 83 2HD1 ILE 83 12.058 6.154 -5.197 723 3HD1 ILE 83 3HD1 ILE 83 12.223 6.219 -6.968 724 H GLN 84 H GLN 84 9.139 5.367 -10.391 725 HA GLN 84 HA GLN 84 7.646 7.277 -11.651 726 1HB GLN 84 1HB GLN 84 8.977 4.747 -12.371 727 2HB GLN 84 2HB GLN 84 7.590 5.082 -13.388 728 1HG GLN 84 1HG GLN 84 9.618 6.095 -14.361 729 2HG GLN 84 2HG GLN 84 8.483 7.348 -13.898 730 1HE2 GLN 84 1HE2 GLN 84 10.423 8.676 -13.995 731 2HE2 GLN 84 2HE2 GLN 84 11.442 8.819 -12.602 732 H VAL 85 H VAL 85 6.707 4.045 -10.407 733 HA VAL 85 HA VAL 85 4.184 3.969 -11.644 734 HB VAL 85 HB VAL 85 5.582 2.563 -9.416 735 1HG1 VAL 85 1HG1 VAL 85 3.602 1.248 -8.861 736 2HG1 VAL 85 2HG1 VAL 85 3.315 2.972 -8.522 737 3HG1 VAL 85 3HG1 VAL 85 2.616 2.223 -9.978 738 1HG2 VAL 85 1HG2 VAL 85 5.185 2.122 -12.151 739 2HG2 VAL 85 2HG2 VAL 85 5.853 0.975 -10.964 740 3HG2 VAL 85 3HG2 VAL 85 4.114 0.953 -11.342 741 H TYR 86 H TYR 86 5.214 4.894 -8.283 742 HA TYR 86 HA TYR 86 2.674 5.670 -7.438 743 1HB TYR 86 1HB TYR 86 5.402 6.881 -6.695 744 2HB TYR 86 2HB TYR 86 4.017 6.717 -5.634 745 HD1 TYR 86 HD1 TYR 86 3.407 3.780 -6.629 746 HD2 TYR 86 HD2 TYR 86 6.908 5.750 -5.159 747 HE1 TYR 86 HE1 TYR 86 4.315 1.558 -5.793 748 HE2 TYR 86 HE2 TYR 86 7.805 3.521 -4.328 749 HH TYR 86 HH TYR 86 6.967 0.752 -5.346 750 H ARG 87 H ARG 87 4.991 7.227 -9.574 751 HA ARG 87 HA ARG 87 4.060 9.840 -9.090 752 1HB ARG 87 1HB ARG 87 5.944 8.484 -10.968 753 2HB ARG 87 2HB ARG 87 5.203 9.935 -11.614 754 1HG ARG 87 1HG ARG 87 6.090 10.312 -8.830 755 2HG ARG 87 2HG ARG 87 7.412 9.820 -9.870 756 1HD ARG 87 1HD ARG 87 6.429 11.671 -11.517 757 2HD ARG 87 2HD ARG 87 5.671 12.293 -10.065 758 HE ARG 87 HE ARG 87 7.795 12.888 -9.205 759 1HH1 ARG 87 2HH2 ARG 87 8.142 10.983 -12.143 760 2HH1 ARG 87 1HH2 ARG 87 9.830 11.330 -12.321 761 1HH2 ARG 87 2HH1 ARG 87 10.021 13.346 -9.439 762 2HH2 ARG 87 1HH1 ARG 87 10.906 12.683 -10.772 763 H ARG 88 H ARG 88 3.532 7.346 -11.673 764 HA ARG 88 HA ARG 88 1.769 8.972 -13.116 765 1HB ARG 88 1HB ARG 88 1.228 6.832 -14.336 766 2HB ARG 88 2HB ARG 88 2.952 7.125 -14.212 767 1HG ARG 88 1HG ARG 88 3.153 5.554 -12.340 768 2HG ARG 88 2HG ARG 88 1.412 5.373 -12.242 769 1HD ARG 88 1HD ARG 88 2.837 4.725 -14.842 770 2HD ARG 88 2HD ARG 88 2.853 3.559 -13.533 771 HE ARG 88 HE ARG 88 0.172 4.291 -13.744 772 1HH1 ARG 88 2HH2 ARG 88 2.574 2.989 -15.963 773 2HH1 ARG 88 1HH2 ARG 88 1.409 2.151 -16.933 774 1HH2 ARG 88 2HH1 ARG 88 -1.364 3.185 -15.024 775 2HH2 ARG 88 1HH1 ARG 88 -0.846 2.263 -16.395 776 H PHE 89 H PHE 89 1.483 6.934 -10.277 777 HA PHE 89 HA PHE 89 -1.374 6.607 -10.583 778 1HB PHE 89 1HB PHE 89 0.909 5.633 -8.902 779 2HB PHE 89 2HB PHE 89 -0.579 5.834 -7.998 780 HD1 PHE 89 HD1 PHE 89 -2.689 4.685 -8.966 781 HD2 PHE 89 HD2 PHE 89 1.268 3.689 -10.132 782 HE1 PHE 89 HE1 PHE 89 -3.495 2.459 -9.799 783 HE2 PHE 89 HE2 PHE 89 0.462 1.462 -10.965 784 HZ PHE 89 HZ PHE 89 -1.910 0.874 -10.789 785 H TYR 90 H TYR 90 0.915 8.116 -8.189 786 HA TYR 90 HA TYR 90 -1.333 9.747 -7.251 787 1HB TYR 90 1HB TYR 90 1.455 9.634 -6.038 788 2HB TYR 90 2HB TYR 90 -0.079 9.781 -5.203 789 HD1 TYR 90 HD1 TYR 90 -1.562 7.447 -6.362 790 HD2 TYR 90 HD2 TYR 90 2.477 7.795 -4.993 791 HE1 TYR 90 HE1 TYR 90 -1.514 4.958 -5.849 792 HE2 TYR 90 HE2 TYR 90 2.511 5.304 -4.484 793 HH TYR 90 HH TYR 90 0.723 3.193 -5.706 794 H ASP 91 H ASP 91 -1.001 12.052 -6.871 795 HA ASP 91 HA ASP 91 0.359 13.227 -9.021 796 1HB ASP 91 1HB ASP 91 -0.422 14.843 -6.603 797 2HB ASP 91 2HB ASP 91 -0.627 15.229 -8.300 798 H GLU 92 H GLU 92 2.294 14.575 -8.946 799 HA GLU 92 HA GLU 92 4.161 13.737 -7.010 800 1HB GLU 92 1HB GLU 92 4.744 14.251 -9.384 801 2HB GLU 92 2HB GLU 92 4.363 15.940 -9.112 802 1HG GLU 92 1HG GLU 92 6.186 15.051 -7.035 803 2HG GLU 92 2HG GLU 92 6.839 14.585 -8.593 804 H GLU 93 H GLU 93 2.348 16.789 -7.672 805 HA GLU 93 HA GLU 93 3.612 18.378 -5.844 806 1HB GLU 93 1HB GLU 93 1.340 18.532 -7.526 807 2HB GLU 93 2HB GLU 93 0.737 18.907 -5.924 808 1HG GLU 93 1HG GLU 93 1.573 21.000 -6.166 809 2HG GLU 93 2HG GLU 93 3.184 20.313 -6.091 810 H LYS 94 H LYS 94 0.776 16.169 -5.404 811 HA LYS 94 HA LYS 94 0.403 16.825 -2.690 812 1HB LYS 94 1HB LYS 94 -0.794 15.123 -4.680 813 2HB LYS 94 2HB LYS 94 -0.563 14.206 -3.205 814 1HG LYS 94 1HG LYS 94 -1.541 16.919 -2.632 815 2HG LYS 94 2HG LYS 94 -2.618 16.074 -3.727 816 1HD LYS 94 1HD LYS 94 -1.784 14.242 -1.632 817 2HD LYS 94 2HD LYS 94 -2.360 15.723 -0.892 818 1HE LYS 94 1HE LYS 94 -4.292 15.351 -2.822 819 2HE LYS 94 2HE LYS 94 -3.864 13.686 -2.478 820 1HZ LYS 94 1HZ LYS 94 -4.269 15.452 -0.219 821 2HZ LYS 94 2HZ LYS 94 -5.593 14.971 -1.045 822 3HZ LYS 94 3HZ LYS 94 -4.606 13.861 -0.368 823 H GLU 95 H GLU 95 2.453 14.483 -4.443 824 HA GLU 95 HA GLU 95 3.106 12.954 -2.214 825 1HB GLU 95 1HB GLU 95 3.603 12.820 -4.922 826 2HB GLU 95 2HB GLU 95 5.191 13.251 -4.317 827 1HG GLU 95 1HG GLU 95 5.502 11.078 -3.754 828 2HG GLU 95 2HG GLU 95 4.275 11.270 -2.518 829 H LYS 96 H LYS 96 4.854 15.692 -3.846 830 HA LYS 96 HA LYS 96 6.926 15.765 -1.945 831 1HB LYS 96 1HB LYS 96 7.648 17.718 -3.075 832 2HB LYS 96 2HB LYS 96 6.991 16.651 -4.299 833 1HG LYS 96 1HG LYS 96 5.437 18.191 -4.897 834 2HG LYS 96 2HG LYS 96 4.846 18.305 -3.252 835 1HD LYS 96 1HD LYS 96 5.861 20.313 -2.961 836 2HD LYS 96 2HD LYS 96 7.416 19.645 -3.414 837 1HE LYS 96 1HE LYS 96 6.609 19.842 -5.877 838 2HE LYS 96 2HE LYS 96 5.295 20.822 -5.257 839 1HZ LYS 96 1HZ LYS 96 7.653 21.792 -5.917 840 2HZ LYS 96 2HZ LYS 96 6.681 22.499 -4.811 841 3HZ LYS 96 3HZ LYS 96 7.914 21.546 -4.324 842 H LYS 97 H LYS 97 3.604 16.828 -1.918 843 HA LYS 97 HA LYS 97 3.873 18.968 -0.121 844 1HB LYS 97 1HB LYS 97 1.800 17.643 -1.533 845 2HB LYS 97 2HB LYS 97 1.350 17.605 0.160 846 1HG LYS 97 1HG LYS 97 1.959 20.121 0.235 847 2HG LYS 97 2HG LYS 97 2.041 20.057 -1.514 848 1HD LYS 97 1HD LYS 97 -0.417 18.783 -0.560 849 2HD LYS 97 2HD LYS 97 -0.283 20.409 0.080 850 1HE LYS 97 1HE LYS 97 0.503 20.725 -2.593 851 2HE LYS 97 2HE LYS 97 -0.765 19.521 -2.700 852 1HZ LYS 97 1HZ LYS 97 -0.951 22.274 -1.984 853 2HZ LYS 97 2HZ LYS 97 -2.092 21.278 -2.596 854 3HZ LYS 97 3HZ LYS 97 -1.797 21.293 -0.989 855 H TYR 98 H TYR 98 2.839 15.526 0.443 856 HA TYR 98 HA TYR 98 3.508 15.914 3.264 857 1HB TYR 98 1HB TYR 98 1.967 13.885 1.545 858 2HB TYR 98 2HB TYR 98 2.314 13.550 3.229 859 HD1 TYR 98 HD1 TYR 98 1.528 15.387 4.951 860 HD2 TYR 98 HD2 TYR 98 -0.009 14.992 0.977 861 HE1 TYR 98 HE1 TYR 98 -0.569 16.656 5.627 862 HE2 TYR 98 HE2 TYR 98 -2.100 16.262 1.667 863 HH TYR 98 HH TYR 98 -3.100 16.612 4.628 864 H GLY 99 H GLY 99 3.958 13.472 0.603 865 1HA GLY 99 1HA GLY 99 6.389 12.931 0.278 866 2HA GLY 99 2HA GLY 99 6.413 12.593 1.997 867 H VAL 100 H VAL 100 6.320 10.444 2.456 868 HA VAL 100 HA VAL 100 4.386 8.838 0.979 869 HB VAL 100 HB VAL 100 7.191 7.851 1.445 870 1HG1 VAL 100 1HG1 VAL 100 5.224 6.970 -0.673 871 2HG1 VAL 100 2HG1 VAL 100 6.630 6.099 -0.017 872 3HG1 VAL 100 3HG1 VAL 100 5.173 6.316 0.981 873 1HG2 VAL 100 1HG2 VAL 100 7.650 9.669 0.040 874 2HG2 VAL 100 2HG2 VAL 100 7.457 8.305 -1.087 875 3HG2 VAL 100 3HG2 VAL 100 6.133 9.475 -0.870 876 H VAL 101 H VAL 101 3.510 7.119 2.207 877 HA VAL 101 HA VAL 101 4.539 6.878 4.935 878 HB VAL 101 HB VAL 101 2.096 6.800 5.652 879 1HG1 VAL 101 1HG1 VAL 101 3.153 8.634 6.519 880 2HG1 VAL 101 2HG1 VAL 101 3.697 9.216 4.928 881 3HG1 VAL 101 3HG1 VAL 101 2.009 9.461 5.435 882 1HG2 VAL 101 1HG2 VAL 101 1.469 6.841 3.052 883 2HG2 VAL 101 2HG2 VAL 101 0.400 7.523 4.302 884 3HG2 VAL 101 3HG2 VAL 101 1.458 8.596 3.353 885 H ALA 102 H ALA 102 5.252 4.800 4.963 886 HA ALA 102 HA ALA 102 4.021 2.819 3.311 887 1HB ALA 102 1HB ALA 102 6.089 1.979 3.557 888 2HB ALA 102 2HB ALA 102 6.463 3.203 4.793 889 3HB ALA 102 3HB ALA 102 5.732 1.652 5.270 890 H ILE 103 H ILE 103 1.888 2.419 3.883 891 HA ILE 103 HA ILE 103 1.286 2.016 6.691 892 HB ILE 103 HB ILE 103 -0.321 2.309 4.176 893 1HG1 ILE 103 1HG1 ILE 103 -1.429 3.953 6.001 894 2HG1 ILE 103 2HG1 ILE 103 0.197 3.881 6.650 895 1HG2 ILE 103 1HG2 ILE 103 -2.366 1.873 5.476 896 2HG2 ILE 103 2HG2 ILE 103 -1.339 0.428 5.324 897 3HG2 ILE 103 3HG2 ILE 103 -1.368 1.342 6.851 898 1HD1 ILE 103 1HD1 ILE 103 0.266 4.177 3.738 899 2HD1 ILE 103 2HD1 ILE 103 -0.685 5.475 4.499 900 3HD1 ILE 103 3HD1 ILE 103 1.003 5.202 4.993 901 H GLU 104 H GLU 104 1.295 0.061 7.662 902 HA GLU 104 HA GLU 104 1.934 -2.201 6.076 903 1HB GLU 104 1HB GLU 104 2.844 -1.776 8.385 904 2HB GLU 104 2HB GLU 104 1.242 -2.041 9.043 905 1HG GLU 104 1HG GLU 104 1.310 -4.331 8.683 906 2HG GLU 104 2HG GLU 104 2.263 -4.186 7.219 907 H ILE 105 H ILE 105 0.362 -3.143 4.832 908 HA ILE 105 HA ILE 105 -2.324 -3.312 5.988 909 HB ILE 105 HB ILE 105 -3.058 -3.712 3.682 910 1HG1 ILE 105 1HG1 ILE 105 -1.343 -3.118 1.860 911 2HG1 ILE 105 2HG1 ILE 105 -0.113 -3.440 3.066 912 1HG2 ILE 105 1HG2 ILE 105 -3.166 -1.469 4.521 913 2HG2 ILE 105 2HG2 ILE 105 -1.442 -1.198 4.169 914 3HG2 ILE 105 3HG2 ILE 105 -2.600 -1.410 2.834 915 1HD1 ILE 105 1HD1 ILE 105 -0.329 -5.671 2.758 916 2HD1 ILE 105 2HD1 ILE 105 -2.069 -5.585 3.120 917 3HD1 ILE 105 3HD1 ILE 105 -1.494 -5.337 1.454 918 H GLU 106 H GLU 106 -3.267 -5.273 6.442 919 HA GLU 106 HA GLU 106 -1.823 -7.622 5.540 920 1HB GLU 106 1HB GLU 106 -0.935 -7.486 7.718 921 2HB GLU 106 2HB GLU 106 -2.415 -6.840 8.398 922 1HG GLU 106 1HG GLU 106 -3.310 -8.918 8.751 923 2HG GLU 106 2HG GLU 106 -2.787 -9.516 7.189 924 HA PRO 107 HA PRO 107 -6.064 -8.469 4.704 925 1HB PRO 107 1HB PRO 107 -5.647 -10.515 2.940 926 2HB PRO 107 2HB PRO 107 -5.677 -8.829 2.463 927 1HG PRO 107 1HG PRO 107 -3.351 -10.628 2.766 928 2HG PRO 107 2HG PRO 107 -3.457 -9.107 1.901 929 1HD PRO 107 1HD PRO 107 -2.243 -9.543 4.463 930 2HD PRO 107 2HD PRO 107 -2.453 -8.004 3.651 931 H LEU 108 H LEU 108 -7.311 -9.320 6.235 932 HA LEU 108 HA LEU 108 -6.295 -11.732 7.483 933 1HB LEU 108 1HB LEU 108 -8.336 -11.322 8.967 934 2HB LEU 108 2HB LEU 108 -6.971 -10.229 9.081 935 HG LEU 108 HG LEU 108 -9.074 -9.394 7.175 936 1HD1 LEU 108 1HD1 LEU 108 -10.208 -10.493 9.270 937 2HD1 LEU 108 2HD1 LEU 108 -9.727 -8.977 10.069 938 3HD1 LEU 108 3HD1 LEU 108 -10.785 -8.932 8.639 939 1HD2 LEU 108 1HD2 LEU 108 -8.140 -7.653 9.386 940 2HD2 LEU 108 2HD2 LEU 108 -6.904 -8.197 8.226 941 3HD2 LEU 108 3HD2 LEU 108 -8.338 -7.312 7.650 942 H GLU 109 H GLU 109 -6.579 -12.863 5.299 943 HA GLU 109 HA GLU 109 -9.341 -13.795 5.159 944 1HB GLU 109 1HB GLU 109 -8.271 -12.386 3.172 945 2HB GLU 109 2HB GLU 109 -7.506 -13.909 2.762 946 1HG GLU 109 1HG GLU 109 -9.429 -14.430 1.665 947 2HG GLU 109 2HG GLU 109 -10.143 -14.684 3.245 948 H TYR 110 H TYR 110 -8.171 -15.733 2.981 949 HA TYR 110 HA TYR 110 -7.669 -17.859 4.819 950 1HB TYR 110 1HB TYR 110 -7.645 -17.409 1.778 951 2HB TYR 110 2HB TYR 110 -7.274 -18.983 2.455 952 HD1 TYR 110 HD1 TYR 110 -9.221 -19.304 4.610 953 HD2 TYR 110 HD2 TYR 110 -9.720 -17.559 0.736 954 HE1 TYR 110 HE1 TYR 110 -11.702 -19.857 4.672 955 HE2 TYR 110 HE2 TYR 110 -12.199 -18.118 0.811 956 HH TYR 110 HH TYR 110 -13.862 -18.739 2.122 Start of MODEL 12 1 HA MET 1 HA MET 1 -16.106 2.121 10.074 2 1HB MET 1 1HB MET 1 -14.112 4.150 8.982 3 2HB MET 1 2HB MET 1 -15.562 3.797 8.064 4 1HG MET 1 1HG MET 1 -15.523 4.729 10.977 5 2HG MET 1 2HG MET 1 -15.859 5.759 9.600 6 1HE MET 1 1HE MET 1 -17.910 5.968 8.397 7 2HE MET 1 2HE MET 1 -19.467 5.488 9.115 8 3HE MET 1 3HE MET 1 -18.342 6.514 10.035 9 H GLU 2 H GLU 2 -16.829 0.998 8.210 10 HA GLU 2 HA GLU 2 -14.915 -0.800 7.163 11 1HB GLU 2 1HB GLU 2 -17.621 -0.902 7.579 12 2HB GLU 2 2HB GLU 2 -17.591 -0.589 5.855 13 1HG GLU 2 1HG GLU 2 -15.883 -2.518 5.665 14 2HG GLU 2 2HG GLU 2 -16.264 -2.902 7.332 15 H TRP 3 H TRP 3 -13.517 -0.331 5.527 16 HA TRP 3 HA TRP 3 -14.296 1.782 3.657 17 1HB TRP 3 1HB TRP 3 -11.642 0.610 4.469 18 2HB TRP 3 2HB TRP 3 -11.822 1.597 3.033 19 HD1 TRP 3 HD1 TRP 3 -10.788 2.059 6.456 20 HE1 TRP 3 HE1 TRP 3 -11.045 4.517 7.379 21 HE3 TRP 3 HE3 TRP 3 -13.924 3.669 2.791 22 HZ2 TRP 3 HZ2 TRP 3 -12.498 6.808 6.494 23 HZ3 TRP 3 HZ3 TRP 3 -14.716 6.030 2.895 24 HH2 TRP 3 HH2 TRP 3 -14.053 7.581 4.665 25 H GLU 4 H GLU 4 -14.157 1.385 1.357 26 HA GLU 4 HA GLU 4 -13.839 -1.416 0.656 27 1HB GLU 4 1HB GLU 4 -15.846 -1.375 -0.745 28 2HB GLU 4 2HB GLU 4 -16.276 -0.961 0.902 29 1HG GLU 4 1HG GLU 4 -15.939 1.532 0.133 30 2HG GLU 4 2HG GLU 4 -16.029 0.889 -1.495 31 H MET 5 H MET 5 -12.323 -1.589 -0.934 32 HA MET 5 HA MET 5 -12.123 0.674 -2.767 33 1HB MET 5 1HB MET 5 -10.066 -0.769 -1.121 34 2HB MET 5 2HB MET 5 -9.585 -0.441 -2.774 35 1HG MET 5 1HG MET 5 -8.919 1.420 -1.262 36 2HG MET 5 2HG MET 5 -10.056 1.972 -2.475 37 1HE MET 5 1HE MET 5 -10.140 3.495 1.169 38 2HE MET 5 2HE MET 5 -9.896 1.835 1.765 39 3HE MET 5 3HE MET 5 -8.883 2.465 0.444 40 H GLY 6 H GLY 6 -12.578 0.093 -4.843 41 1HA GLY 6 1HA GLY 6 -12.652 -2.725 -5.538 42 2HA GLY 6 2HA GLY 6 -13.222 -1.368 -6.490 43 H LEU 7 H LEU 7 -10.064 -2.507 -5.073 44 HA LEU 7 HA LEU 7 -8.608 -1.357 -7.240 45 1HB LEU 7 1HB LEU 7 -6.690 -2.534 -6.140 46 2HB LEU 7 2HB LEU 7 -7.540 -1.352 -5.165 47 HG LEU 7 HG LEU 7 -8.765 -3.868 -4.658 48 1HD1 LEU 7 1HD1 LEU 7 -6.929 -5.236 -3.873 49 2HD1 LEU 7 2HD1 LEU 7 -6.724 -4.888 -5.607 50 3HD1 LEU 7 3HD1 LEU 7 -5.749 -4.013 -4.402 51 1HD2 LEU 7 1HD2 LEU 7 -7.121 -1.885 -3.119 52 2HD2 LEU 7 2HD2 LEU 7 -8.836 -2.326 -2.945 53 3HD2 LEU 7 3HD2 LEU 7 -7.569 -3.439 -2.377 54 H GLN 8 H GLN 8 -7.187 -2.625 -8.710 55 HA GLN 8 HA GLN 8 -8.642 -4.405 -10.168 56 1HB GLN 8 1HB GLN 8 -6.229 -3.117 -10.455 57 2HB GLN 8 2HB GLN 8 -5.688 -4.774 -10.271 58 1HG GLN 8 1HG GLN 8 -6.437 -5.355 -12.342 59 2HG GLN 8 2HG GLN 8 -8.006 -4.624 -12.065 60 1HE2 GLN 8 1HE2 GLN 8 -7.106 -4.402 -14.505 61 2HE2 GLN 8 2HE2 GLN 8 -6.522 -2.817 -14.886 62 H GLU 9 H GLU 9 -8.717 -6.697 -10.363 63 HA GLU 9 HA GLU 9 -8.646 -8.104 -8.039 64 1HB GLU 9 1HB GLU 9 -9.843 -8.784 -10.120 65 2HB GLU 9 2HB GLU 9 -8.313 -9.181 -10.875 66 1HG GLU 9 1HG GLU 9 -8.817 -10.449 -8.207 67 2HG GLU 9 2HG GLU 9 -9.844 -10.997 -9.518 68 H GLU 10 H GLU 10 -6.138 -7.926 -10.649 69 HA GLU 10 HA GLU 10 -4.410 -9.767 -9.638 70 1HB GLU 10 1HB GLU 10 -4.401 -8.145 -11.796 71 2HB GLU 10 2HB GLU 10 -3.262 -7.249 -10.811 72 1HG GLU 10 1HG GLU 10 -2.071 -9.548 -10.434 73 2HG GLU 10 2HG GLU 10 -3.040 -10.126 -11.774 74 H PHE 11 H PHE 11 -4.953 -6.364 -8.662 75 HA PHE 11 HA PHE 11 -2.661 -6.183 -7.028 76 1HB PHE 11 1HB PHE 11 -5.058 -4.678 -7.826 77 2HB PHE 11 2HB PHE 11 -4.831 -4.519 -6.096 78 HD1 PHE 11 HD1 PHE 11 -3.494 -3.691 -9.381 79 HD2 PHE 11 HD2 PHE 11 -2.835 -3.417 -5.198 80 HE1 PHE 11 HE1 PHE 11 -1.761 -1.918 -9.771 81 HE2 PHE 11 HE2 PHE 11 -1.101 -1.644 -5.588 82 HZ PHE 11 HZ PHE 11 -0.585 -0.915 -7.869 83 H LEU 12 H LEU 12 -6.091 -7.136 -6.465 84 HA LEU 12 HA LEU 12 -6.112 -7.151 -3.730 85 1HB LEU 12 1HB LEU 12 -7.562 -8.529 -5.898 86 2HB LEU 12 2HB LEU 12 -7.633 -9.320 -4.336 87 HG LEU 12 HG LEU 12 -8.201 -6.744 -3.626 88 1HD1 LEU 12 1HD1 LEU 12 -8.184 -6.274 -6.180 89 2HD1 LEU 12 2HD1 LEU 12 -9.776 -7.071 -6.165 90 3HD1 LEU 12 3HD1 LEU 12 -9.499 -5.616 -5.177 91 1HD2 LEU 12 1HD2 LEU 12 -9.549 -9.249 -3.812 92 2HD2 LEU 12 2HD2 LEU 12 -9.889 -7.871 -2.737 93 3HD2 LEU 12 3HD2 LEU 12 -10.673 -7.970 -4.332 94 H GLU 13 H GLU 13 -4.583 -9.432 -6.010 95 HA GLU 13 HA GLU 13 -4.073 -11.356 -4.004 96 1HB GLU 13 1HB GLU 13 -4.193 -11.587 -6.634 97 2HB GLU 13 2HB GLU 13 -2.498 -11.143 -6.581 98 1HG GLU 13 1HG GLU 13 -2.171 -13.396 -6.300 99 2HG GLU 13 2HG GLU 13 -2.521 -13.046 -4.618 100 H LEU 14 H LEU 14 -2.448 -8.462 -5.263 101 HA LEU 14 HA LEU 14 0.134 -9.032 -4.359 102 1HB LEU 14 1HB LEU 14 -1.333 -6.449 -4.879 103 2HB LEU 14 2HB LEU 14 0.358 -6.512 -4.425 104 HG LEU 14 HG LEU 14 -0.955 -7.431 -6.970 105 1HD1 LEU 14 1HD1 LEU 14 1.495 -5.734 -6.414 106 2HD1 LEU 14 2HD1 LEU 14 0.798 -6.091 -8.013 107 3HD1 LEU 14 3HD1 LEU 14 -0.126 -5.130 -6.834 108 1HD2 LEU 14 1HD2 LEU 14 0.293 -9.365 -6.461 109 2HD2 LEU 14 2HD2 LEU 14 1.306 -8.424 -7.582 110 3HD2 LEU 14 3HD2 LEU 14 1.666 -8.418 -5.839 111 H ILE 15 H ILE 15 -2.695 -7.431 -2.784 112 HA ILE 15 HA ILE 15 -1.405 -6.674 -0.457 113 HB ILE 15 HB ILE 15 -4.267 -7.471 -0.983 114 1HG1 ILE 15 1HG1 ILE 15 -4.261 -4.781 -0.644 115 2HG1 ILE 15 2HG1 ILE 15 -2.672 -4.995 -1.351 116 1HG2 ILE 15 1HG2 ILE 15 -2.915 -6.829 1.522 117 2HG2 ILE 15 2HG2 ILE 15 -4.267 -5.727 1.166 118 3HG2 ILE 15 3HG2 ILE 15 -4.544 -7.484 1.228 119 1HD1 ILE 15 1HD1 ILE 15 -4.467 -6.675 -2.829 120 2HD1 ILE 15 2HD1 ILE 15 -5.240 -5.080 -2.661 121 3HD1 ILE 15 3HD1 ILE 15 -3.621 -5.212 -3.391 122 H LYS 16 H LYS 16 -2.762 -9.825 -1.491 123 HA LYS 16 HA LYS 16 -2.595 -11.054 1.024 124 1HB LYS 16 1HB LYS 16 -3.339 -11.747 -1.656 125 2HB LYS 16 2HB LYS 16 -2.240 -12.972 -1.057 126 1HG LYS 16 1HG LYS 16 -3.705 -12.896 1.131 127 2HG LYS 16 2HG LYS 16 -4.891 -12.084 0.129 128 1HD LYS 16 1HD LYS 16 -3.758 -14.501 -1.156 129 2HD LYS 16 2HD LYS 16 -4.572 -14.851 0.357 130 1HE LYS 16 1HE LYS 16 -6.659 -14.055 -0.418 131 2HE LYS 16 2HE LYS 16 -5.934 -13.028 -1.639 132 1HZ LYS 16 1HZ LYS 16 -6.947 -15.451 -2.094 133 2HZ LYS 16 2HZ LYS 16 -5.873 -14.704 -3.072 134 3HZ LYS 16 3HZ LYS 16 -5.356 -15.802 -1.980 135 H LEU 17 H LEU 17 -0.230 -10.385 -1.550 136 HA LEU 17 HA LEU 17 1.733 -12.095 -0.292 137 1HB LEU 17 1HB LEU 17 1.613 -10.434 -2.786 138 2HB LEU 17 2HB LEU 17 3.158 -10.982 -2.166 139 HG LEU 17 HG LEU 17 1.165 -13.132 -2.351 140 1HD1 LEU 17 1HD1 LEU 17 0.361 -11.897 -4.258 141 2HD1 LEU 17 2HD1 LEU 17 2.017 -11.690 -4.875 142 3HD1 LEU 17 3HD1 LEU 17 1.284 -13.311 -4.823 143 1HD2 LEU 17 1HD2 LEU 17 3.851 -13.008 -2.104 144 2HD2 LEU 17 2HD2 LEU 17 2.975 -14.414 -2.756 145 3HD2 LEU 17 3HD2 LEU 17 3.708 -13.230 -3.865 146 H ARG 18 H ARG 18 0.649 -8.749 -0.274 147 HA ARG 18 HA ARG 18 3.098 -7.734 0.694 148 1HB ARG 18 1HB ARG 18 0.259 -6.594 0.692 149 2HB ARG 18 2HB ARG 18 1.661 -5.680 1.214 150 1HG ARG 18 1HG ARG 18 2.557 -5.535 -0.947 151 2HG ARG 18 2HG ARG 18 1.797 -7.020 -1.483 152 1HD ARG 18 1HD ARG 18 -0.293 -5.979 -1.863 153 2HD ARG 18 2HD ARG 18 0.035 -4.670 -0.745 154 HE ARG 18 HE ARG 18 0.671 -4.692 -3.548 155 1HH1 ARG 18 2HH2 ARG 18 1.991 -3.646 -0.458 156 2HH1 ARG 18 1HH2 ARG 18 2.926 -2.361 -1.148 157 1HH2 ARG 18 2HH1 ARG 18 1.904 -2.998 -4.458 158 2HH2 ARG 18 1HH1 ARG 18 2.876 -1.990 -3.438 159 H LYS 19 H LYS 19 1.009 -9.885 2.064 160 HA LYS 19 HA LYS 19 0.575 -8.721 4.616 161 1HB LYS 19 1HB LYS 19 -0.864 -10.474 3.626 162 2HB LYS 19 2HB LYS 19 0.458 -11.619 3.730 163 1HG LYS 19 1HG LYS 19 0.551 -11.150 6.244 164 2HG LYS 19 2HG LYS 19 -0.912 -10.202 6.061 165 1HD LYS 19 1HD LYS 19 -1.987 -12.182 6.462 166 2HD LYS 19 2HD LYS 19 -1.667 -12.507 4.769 167 1HE LYS 19 1HE LYS 19 -0.480 -14.330 5.419 168 2HE LYS 19 2HE LYS 19 0.731 -13.242 6.068 169 1HZ LYS 19 1HZ LYS 19 -1.625 -13.805 7.673 170 2HZ LYS 19 2HZ LYS 19 -0.455 -14.940 7.582 171 3HZ LYS 19 3HZ LYS 19 -0.105 -13.452 8.155 172 H LYS 20 H LYS 20 3.352 -9.889 3.009 173 HA LYS 20 HA LYS 20 4.661 -10.297 5.608 174 1HB LYS 20 1HB LYS 20 4.409 -12.144 3.494 175 2HB LYS 20 2HB LYS 20 6.060 -11.563 3.410 176 1HG LYS 20 1HG LYS 20 6.477 -13.092 5.056 177 2HG LYS 20 2HG LYS 20 5.778 -11.901 6.134 178 1HD LYS 20 1HD LYS 20 3.626 -12.968 6.109 179 2HD LYS 20 2HD LYS 20 4.022 -13.923 4.694 180 1HE LYS 20 1HE LYS 20 4.370 -15.546 6.312 181 2HE LYS 20 2HE LYS 20 5.979 -14.851 6.292 182 1HZ LYS 20 1HZ LYS 20 5.443 -13.537 8.161 183 2HZ LYS 20 2HZ LYS 20 3.860 -13.937 8.107 184 3HZ LYS 20 3HZ LYS 20 4.973 -15.061 8.513 185 H LYS 21 H LYS 21 4.189 -8.195 3.073 186 HA LYS 21 HA LYS 21 6.952 -7.213 3.267 187 1HB LYS 21 1HB LYS 21 4.978 -6.870 0.989 188 2HB LYS 21 2HB LYS 21 6.587 -6.180 1.060 189 1HG LYS 21 1HG LYS 21 7.650 -8.298 0.889 190 2HG LYS 21 2HG LYS 21 6.226 -9.168 1.425 191 1HD LYS 21 1HD LYS 21 5.086 -8.807 -0.673 192 2HD LYS 21 2HD LYS 21 6.242 -7.592 -1.180 193 1HE LYS 21 1HE LYS 21 7.881 -9.801 -0.711 194 2HE LYS 21 2HE LYS 21 6.426 -10.548 -1.340 195 1HZ LYS 21 1HZ LYS 21 7.224 -8.217 -2.776 196 2HZ LYS 21 2HZ LYS 21 8.329 -9.418 -2.830 197 3HZ LYS 21 3HZ LYS 21 6.800 -9.691 -3.337 198 H ILE 22 H ILE 22 4.815 -5.065 1.701 199 HA ILE 22 HA ILE 22 3.620 -3.879 3.967 200 HB ILE 22 HB ILE 22 6.362 -3.247 3.549 201 1HG1 ILE 22 1HG1 ILE 22 5.223 -3.528 5.711 202 2HG1 ILE 22 2HG1 ILE 22 6.094 -2.010 5.610 203 1HG2 ILE 22 1HG2 ILE 22 6.401 -0.923 3.164 204 2HG2 ILE 22 2HG2 ILE 22 5.365 -1.602 1.886 205 3HG2 ILE 22 3HG2 ILE 22 4.630 -0.787 3.288 206 1HD1 ILE 22 1HD1 ILE 22 4.041 -0.767 5.186 207 2HD1 ILE 22 2HD1 ILE 22 3.111 -2.276 5.024 208 3HD1 ILE 22 3HD1 ILE 22 3.776 -1.806 6.607 209 H GLU 23 H GLU 23 2.857 -1.507 3.255 210 HA GLU 23 HA GLU 23 2.582 -1.293 0.420 211 1HB GLU 23 1HB GLU 23 0.764 -2.854 0.838 212 2HB GLU 23 2HB GLU 23 0.183 -1.908 2.193 213 1HG GLU 23 1HG GLU 23 -1.170 -1.538 0.115 214 2HG GLU 23 2HG GLU 23 -0.454 -0.058 0.720 215 H GLY 24 H GLY 24 3.410 0.789 0.415 216 1HA GLY 24 1HA GLY 24 2.182 2.726 2.276 217 2HA GLY 24 2HA GLY 24 3.771 2.860 1.549 218 H ARG 25 H ARG 25 2.184 5.047 1.275 219 HA ARG 25 HA ARG 25 2.117 5.422 -1.424 220 1HB ARG 25 1HB ARG 25 -0.352 5.565 -1.872 221 2HB ARG 25 2HB ARG 25 0.167 3.927 -1.526 222 1HG ARG 25 1HG ARG 25 -0.761 5.649 0.777 223 2HG ARG 25 2HG ARG 25 -1.971 4.996 -0.310 224 1HD ARG 25 1HD ARG 25 -0.316 2.785 0.173 225 2HD ARG 25 2HD ARG 25 -0.329 3.605 1.721 226 HE ARG 25 HE ARG 25 -2.609 3.087 1.968 227 1HH1 ARG 25 2HH2 ARG 25 -1.622 2.517 -1.361 228 2HH1 ARG 25 1HH2 ARG 25 -3.102 1.731 -1.800 229 1HH2 ARG 25 2HH1 ARG 25 -4.561 2.051 1.390 230 2HH2 ARG 25 1HH1 ARG 25 -4.785 1.464 -0.224 231 H LEU 26 H LEU 26 1.638 7.668 -1.923 232 HA LEU 26 HA LEU 26 2.169 9.515 -0.059 233 1HB LEU 26 1HB LEU 26 2.199 10.324 -2.180 234 2HB LEU 26 2HB LEU 26 0.702 9.536 -2.638 235 HG LEU 26 HG LEU 26 -0.411 11.271 -1.022 236 1HD1 LEU 26 1HD1 LEU 26 1.366 13.379 -1.658 237 2HD1 LEU 26 2HD1 LEU 26 0.922 12.753 -0.052 238 3HD1 LEU 26 3HD1 LEU 26 2.336 12.090 -0.906 239 1HD2 LEU 26 1HD2 LEU 26 -0.784 12.764 -2.862 240 2HD2 LEU 26 2HD2 LEU 26 0.699 12.213 -3.678 241 3HD2 LEU 26 3HD2 LEU 26 -0.681 11.104 -3.497 242 H TYR 27 H TYR 27 1.297 10.048 1.863 243 HA TYR 27 HA TYR 27 -1.207 9.091 2.676 244 1HB TYR 27 1HB TYR 27 0.974 9.909 3.941 245 2HB TYR 27 2HB TYR 27 0.350 11.530 3.712 246 HD1 TYR 27 HD1 TYR 27 -1.666 8.493 4.492 247 HD2 TYR 27 HD2 TYR 27 -0.045 12.171 5.959 248 HE1 TYR 27 HE1 TYR 27 -3.047 8.264 6.614 249 HE2 TYR 27 HE2 TYR 27 -1.432 11.930 8.075 250 HH TYR 27 HH TYR 27 -2.871 9.067 8.970 251 H ASP 28 H ASP 28 -2.855 9.731 1.207 252 HA ASP 28 HA ASP 28 -3.163 12.522 0.691 253 1HB ASP 28 1HB ASP 28 -5.235 10.386 0.095 254 2HB ASP 28 2HB ASP 28 -4.923 11.868 -0.788 255 H GLU 29 H GLU 29 -6.054 12.686 0.721 256 HA GLU 29 HA GLU 29 -6.441 13.164 3.472 257 1HB GLU 29 1HB GLU 29 -8.341 13.310 1.092 258 2HB GLU 29 2HB GLU 29 -8.766 13.840 2.708 259 1HG GLU 29 1HG GLU 29 -6.282 15.084 2.223 260 2HG GLU 29 2HG GLU 29 -7.109 15.185 0.681 261 H LYS 30 H LYS 30 -7.686 10.760 1.081 262 HA LYS 30 HA LYS 30 -9.507 9.531 2.805 263 1HB LYS 30 1HB LYS 30 -8.087 8.705 0.280 264 2HB LYS 30 2HB LYS 30 -9.087 7.559 1.150 265 1HG LYS 30 1HG LYS 30 -11.054 8.663 0.640 266 2HG LYS 30 2HG LYS 30 -10.317 10.251 0.735 267 1HD LYS 30 1HD LYS 30 -9.424 10.110 -1.475 268 2HD LYS 30 2HD LYS 30 -9.591 8.366 -1.533 269 1HE LYS 30 1HE LYS 30 -11.973 8.482 -1.793 270 2HE LYS 30 2HE LYS 30 -12.040 10.147 -1.253 271 1HZ LYS 30 1HZ LYS 30 -10.563 10.553 -3.287 272 2HZ LYS 30 2HZ LYS 30 -11.117 9.110 -3.813 273 3HZ LYS 30 3HZ LYS 30 -12.164 10.326 -3.513 274 H ARG 31 H ARG 31 -6.000 8.995 2.184 275 HA ARG 31 HA ARG 31 -5.814 6.686 3.684 276 1HB ARG 31 1HB ARG 31 -3.726 8.856 3.137 277 2HB ARG 31 2HB ARG 31 -3.345 7.278 3.797 278 1HG ARG 31 1HG ARG 31 -4.848 7.586 1.166 279 2HG ARG 31 2HG ARG 31 -3.097 7.596 1.228 280 1HD ARG 31 1HD ARG 31 -3.066 5.328 1.317 281 2HD ARG 31 2HD ARG 31 -3.994 5.356 2.804 282 HE ARG 31 HE ARG 31 -5.894 4.763 1.585 283 1HH1 ARG 31 2HH2 ARG 31 -3.522 6.143 -0.618 284 2HH1 ARG 31 1HH2 ARG 31 -4.453 5.799 -2.039 285 1HH2 ARG 31 2HH1 ARG 31 -7.122 4.310 -0.289 286 2HH2 ARG 31 1HH1 ARG 31 -6.514 4.750 -1.850 287 H ARG 32 H ARG 32 -5.787 10.153 4.546 288 HA ARG 32 HA ARG 32 -4.655 9.980 7.025 289 1HB ARG 32 1HB ARG 32 -5.813 11.976 5.488 290 2HB ARG 32 2HB ARG 32 -6.974 11.848 6.795 291 1HG ARG 32 1HG ARG 32 -5.143 12.141 8.465 292 2HG ARG 32 2HG ARG 32 -3.965 12.231 7.171 293 1HD ARG 32 1HD ARG 32 -5.195 14.250 6.252 294 2HD ARG 32 2HD ARG 32 -6.270 14.185 7.634 295 HE ARG 32 HE ARG 32 -3.557 14.190 8.572 296 1HH1 ARG 32 2HH2 ARG 32 -5.916 16.324 7.067 297 2HH1 ARG 32 1HH2 ARG 32 -5.223 17.767 7.728 298 1HH2 ARG 32 2HH1 ARG 32 -2.642 16.093 9.444 299 2HH2 ARG 32 1HH1 ARG 32 -3.347 17.635 9.089 300 H GLN 33 H GLN 33 -8.072 9.494 5.958 301 HA GLN 33 HA GLN 33 -9.111 9.253 8.533 302 1HB GLN 33 1HB GLN 33 -10.104 9.286 5.901 303 2HB GLN 33 2HB GLN 33 -10.547 7.698 6.495 304 1HG GLN 33 1HG GLN 33 -12.368 8.953 7.245 305 2HG GLN 33 2HG GLN 33 -11.334 9.019 8.658 306 1HE2 GLN 33 1HE2 GLN 33 -11.765 10.692 5.540 307 2HE2 GLN 33 2HE2 GLN 33 -11.602 12.311 6.135 308 H ILE 34 H ILE 34 -7.364 7.049 6.398 309 HA ILE 34 HA ILE 34 -8.240 4.656 7.641 310 HB ILE 34 HB ILE 34 -5.828 5.279 5.935 311 1HG1 ILE 34 1HG1 ILE 34 -8.430 3.964 5.122 312 2HG1 ILE 34 2HG1 ILE 34 -8.137 5.684 4.957 313 1HG2 ILE 34 1HG2 ILE 34 -6.982 2.628 6.836 314 2HG2 ILE 34 2HG2 ILE 34 -5.800 2.818 5.518 315 3HG2 ILE 34 3HG2 ILE 34 -5.363 3.284 7.179 316 1HD1 ILE 34 1HD1 ILE 34 -7.086 3.436 3.352 317 2HD1 ILE 34 2HD1 ILE 34 -7.254 5.155 2.924 318 3HD1 ILE 34 3HD1 ILE 34 -5.832 4.601 3.839 319 H LYS 35 H LYS 35 -7.420 3.527 9.379 320 HA LYS 35 HA LYS 35 -4.936 4.451 10.554 321 1HB LYS 35 1HB LYS 35 -5.776 5.117 12.606 322 2HB LYS 35 2HB LYS 35 -6.939 5.800 11.487 323 1HG LYS 35 1HG LYS 35 -8.511 3.970 11.886 324 2HG LYS 35 2HG LYS 35 -7.320 3.077 12.812 325 1HD LYS 35 1HD LYS 35 -7.519 5.682 14.006 326 2HD LYS 35 2HD LYS 35 -9.157 5.128 13.725 327 1HE LYS 35 1HE LYS 35 -8.808 3.111 15.013 328 2HE LYS 35 2HE LYS 35 -7.070 3.335 15.034 329 1HZ LYS 35 1HZ LYS 35 -8.553 4.069 17.018 330 2HZ LYS 35 2HZ LYS 35 -7.227 4.930 16.609 331 3HZ LYS 35 3HZ LYS 35 -8.709 5.446 16.154 332 HA PRO 36 HA PRO 36 -4.621 0.263 11.543 333 1HB PRO 36 1HB PRO 36 -3.152 0.239 13.847 334 2HB PRO 36 2HB PRO 36 -2.445 0.482 12.262 335 1HG PRO 36 1HG PRO 36 -2.950 2.470 14.391 336 2HG PRO 36 2HG PRO 36 -1.884 2.592 13.006 337 1HD PRO 36 1HD PRO 36 -4.457 3.824 13.306 338 2HD PRO 36 2HD PRO 36 -3.443 3.850 11.877 339 H GLY 37 H GLY 37 -6.576 -0.688 11.796 340 1HA GLY 37 1HA GLY 37 -7.339 -1.892 14.026 341 2HA GLY 37 2HA GLY 37 -7.910 -0.269 14.356 342 H ASP 38 H ASP 38 -8.470 0.414 11.515 343 HA ASP 38 HA ASP 38 -11.070 -0.664 11.445 344 1HB ASP 38 1HB ASP 38 -9.626 0.853 9.227 345 2HB ASP 38 2HB ASP 38 -11.359 0.733 9.459 346 H VAL 39 H VAL 39 -11.747 -1.278 8.873 347 HA VAL 39 HA VAL 39 -9.754 -3.165 7.870 348 HB VAL 39 HB VAL 39 -12.619 -3.788 8.602 349 1HG1 VAL 39 1HG1 VAL 39 -10.811 -5.029 6.609 350 2HG1 VAL 39 2HG1 VAL 39 -11.610 -6.159 7.729 351 3HG1 VAL 39 3HG1 VAL 39 -12.587 -5.058 6.729 352 1HG2 VAL 39 1HG2 VAL 39 -11.817 -4.876 10.391 353 2HG2 VAL 39 2HG2 VAL 39 -10.507 -5.632 9.453 354 3HG2 VAL 39 3HG2 VAL 39 -10.301 -3.989 10.106 355 H ILE 40 H ILE 40 -9.890 -3.538 5.602 356 HA ILE 40 HA ILE 40 -11.766 -1.727 4.246 357 HB ILE 40 HB ILE 40 -9.036 -2.449 3.214 358 1HG1 ILE 40 1HG1 ILE 40 -9.009 0.210 4.193 359 2HG1 ILE 40 2HG1 ILE 40 -9.634 -0.786 5.492 360 1HG2 ILE 40 1HG2 ILE 40 -9.336 -0.725 1.674 361 2HG2 ILE 40 2HG2 ILE 40 -10.935 -1.504 1.750 362 3HG2 ILE 40 3HG2 ILE 40 -10.647 0.024 2.616 363 1HD1 ILE 40 1HD1 ILE 40 -7.672 -2.019 5.695 364 2HD1 ILE 40 2HD1 ILE 40 -7.250 -1.826 3.977 365 3HD1 ILE 40 3HD1 ILE 40 -6.999 -0.478 5.112 366 H SER 41 H SER 41 -13.181 -2.707 2.900 367 HA SER 41 HA SER 41 -12.645 -5.497 2.324 368 1HB SER 41 1HB SER 41 -14.954 -5.819 2.190 369 2HB SER 41 2HB SER 41 -14.855 -4.545 3.389 370 HG SER 41 HG SER 41 -15.415 -4.222 0.565 371 H PHE 42 H PHE 42 -11.449 -5.683 0.440 372 HA PHE 42 HA PHE 42 -11.822 -3.790 -1.682 373 1HB PHE 42 1HB PHE 42 -10.240 -6.401 -1.301 374 2HB PHE 42 2HB PHE 42 -10.093 -5.411 -2.739 375 HD1 PHE 42 HD1 PHE 42 -10.283 -2.720 -1.205 376 HD2 PHE 42 HD2 PHE 42 -7.949 -6.219 -0.641 377 HE1 PHE 42 HE1 PHE 42 -8.504 -1.352 -0.081 378 HE2 PHE 42 HE2 PHE 42 -6.170 -4.851 0.482 379 HZ PHE 42 HZ PHE 42 -6.468 -2.434 0.749 380 H GLU 43 H GLU 43 -12.923 -4.071 -3.608 381 HA GLU 43 HA GLU 43 -14.395 -4.880 -4.986 382 1HB GLU 43 1HB GLU 43 -13.000 -7.515 -4.351 383 2HB GLU 43 2HB GLU 43 -14.148 -7.317 -5.660 384 1HG GLU 43 1HG GLU 43 -12.592 -5.287 -6.365 385 2HG GLU 43 2HG GLU 43 -11.397 -6.082 -5.358 386 H GLY 44 H GLY 44 -15.377 -4.458 -2.379 387 1HA GLY 44 1HA GLY 44 -17.449 -4.803 -1.459 388 2HA GLY 44 2HA GLY 44 -17.641 -6.276 -2.389 389 H GLY 45 H GLY 45 -15.726 -8.000 -1.769 390 1HA GLY 45 1HA GLY 45 -14.895 -7.994 0.956 391 2HA GLY 45 2HA GLY 45 -16.326 -8.982 0.737 392 H LYS 46 H LYS 46 -13.945 -8.492 -1.880 393 HA LYS 46 HA LYS 46 -13.574 -11.319 -2.064 394 1HB LYS 46 1HB LYS 46 -13.694 -9.481 -3.935 395 2HB LYS 46 2HB LYS 46 -11.983 -9.292 -3.612 396 1HG LYS 46 1HG LYS 46 -12.552 -12.122 -3.747 397 2HG LYS 46 2HG LYS 46 -13.291 -11.357 -5.140 398 1HD LYS 46 1HD LYS 46 -10.879 -10.080 -5.174 399 2HD LYS 46 2HD LYS 46 -10.390 -11.579 -4.409 400 1HE LYS 46 1HE LYS 46 -11.748 -11.250 -7.121 401 2HE LYS 46 2HE LYS 46 -10.135 -11.861 -6.811 402 1HZ LYS 46 1HZ LYS 46 -12.609 -13.228 -6.692 403 2HZ LYS 46 2HZ LYS 46 -11.095 -13.834 -6.783 404 3HZ LYS 46 3HZ LYS 46 -11.737 -13.455 -5.330 405 H LEU 47 H LEU 47 -11.689 -8.477 -0.933 406 HA LEU 47 HA LEU 47 -9.927 -10.353 0.432 407 1HB LEU 47 1HB LEU 47 -9.056 -9.482 -1.889 408 2HB LEU 47 2HB LEU 47 -8.702 -8.022 -0.986 409 HG LEU 47 HG LEU 47 -6.834 -9.751 -1.274 410 1HD1 LEU 47 1HD1 LEU 47 -5.791 -9.076 0.705 411 2HD1 LEU 47 2HD1 LEU 47 -6.970 -7.784 0.373 412 3HD1 LEU 47 3HD1 LEU 47 -7.324 -9.017 1.608 413 1HD2 LEU 47 1HD2 LEU 47 -6.839 -11.743 -0.189 414 2HD2 LEU 47 2HD2 LEU 47 -7.857 -11.150 1.144 415 3HD2 LEU 47 3HD2 LEU 47 -8.595 -11.574 -0.419 416 H LYS 48 H LYS 48 -10.176 -9.864 2.541 417 HA LYS 48 HA LYS 48 -10.759 -7.080 3.209 418 1HB LYS 48 1HB LYS 48 -11.002 -9.540 4.962 419 2HB LYS 48 2HB LYS 48 -11.609 -7.932 5.303 420 1HG LYS 48 1HG LYS 48 -12.482 -9.333 2.762 421 2HG LYS 48 2HG LYS 48 -13.221 -9.786 4.285 422 1HD LYS 48 1HD LYS 48 -13.112 -6.884 4.101 423 2HD LYS 48 2HD LYS 48 -13.843 -7.526 2.644 424 1HE LYS 48 1HE LYS 48 -14.805 -8.830 5.137 425 2HE LYS 48 2HE LYS 48 -15.173 -7.119 5.049 426 1HZ LYS 48 1HZ LYS 48 -15.985 -7.646 2.733 427 2HZ LYS 48 2HZ LYS 48 -15.950 -9.219 3.169 428 3HZ LYS 48 3HZ LYS 48 -16.909 -8.170 3.974 429 H VAL 49 H VAL 49 -9.430 -5.854 4.547 430 HA VAL 49 HA VAL 49 -7.065 -7.173 5.621 431 HB VAL 49 HB VAL 49 -5.529 -5.891 4.511 432 1HG1 VAL 49 1HG1 VAL 49 -6.996 -7.394 2.968 433 2HG1 VAL 49 2HG1 VAL 49 -7.580 -5.849 2.305 434 3HG1 VAL 49 3HG1 VAL 49 -5.848 -6.251 2.233 435 1HG2 VAL 49 1HG2 VAL 49 -6.524 -3.709 5.065 436 2HG2 VAL 49 2HG2 VAL 49 -5.973 -3.767 3.373 437 3HG2 VAL 49 3HG2 VAL 49 -7.706 -3.914 3.750 438 H ARG 50 H ARG 50 -6.147 -6.054 7.432 439 HA ARG 50 HA ARG 50 -7.801 -3.835 8.328 440 1HB ARG 50 1HB ARG 50 -8.545 -5.502 9.803 441 2HB ARG 50 2HB ARG 50 -7.028 -6.377 9.753 442 1HG ARG 50 1HG ARG 50 -5.941 -4.743 11.197 443 2HG ARG 50 2HG ARG 50 -7.297 -3.640 11.073 444 1HD ARG 50 1HD ARG 50 -8.678 -4.956 12.471 445 2HD ARG 50 2HD ARG 50 -7.787 -6.429 12.144 446 HE ARG 50 HE ARG 50 -7.146 -4.420 14.167 447 1HH1 ARG 50 2HH2 ARG 50 -5.812 -6.974 12.148 448 2HH1 ARG 50 1HH2 ARG 50 -4.466 -7.274 13.196 449 1HH2 ARG 50 2HH1 ARG 50 -5.370 -4.815 15.550 450 2HH2 ARG 50 1HH1 ARG 50 -4.213 -6.038 15.144 451 H VAL 51 H VAL 51 -6.510 -2.027 8.466 452 HA VAL 51 HA VAL 51 -3.826 -1.938 8.168 453 HB VAL 51 HB VAL 51 -5.563 -0.115 9.844 454 1HG1 VAL 51 1HG1 VAL 51 -3.921 1.583 9.562 455 2HG1 VAL 51 2HG1 VAL 51 -3.051 0.133 10.117 456 3HG1 VAL 51 3HG1 VAL 51 -2.998 0.601 8.400 457 1HG2 VAL 51 1HG2 VAL 51 -5.248 1.166 7.476 458 2HG2 VAL 51 2HG2 VAL 51 -5.252 -0.526 6.921 459 3HG2 VAL 51 3HG2 VAL 51 -6.628 0.108 7.855 460 H LYS 52 H LYS 52 -1.976 -2.004 9.477 461 HA LYS 52 HA LYS 52 -2.473 -3.132 12.141 462 1HB LYS 52 1HB LYS 52 -0.540 -3.749 9.982 463 2HB LYS 52 2HB LYS 52 0.130 -3.728 11.601 464 1HG LYS 52 1HG LYS 52 -2.444 -5.225 10.958 465 2HG LYS 52 2HG LYS 52 -0.872 -5.970 10.747 466 1HD LYS 52 1HD LYS 52 -1.777 -4.709 13.376 467 2HD LYS 52 2HD LYS 52 -2.004 -6.406 13.003 468 1HE LYS 52 1HE LYS 52 0.769 -5.357 12.582 469 2HE LYS 52 2HE LYS 52 0.227 -5.407 14.247 470 1HZ LYS 52 1HZ LYS 52 -0.380 -7.760 12.735 471 2HZ LYS 52 2HZ LYS 52 1.217 -7.487 12.935 472 3HZ LYS 52 3HZ LYS 52 0.242 -7.618 14.238 473 H ALA 53 H ALA 53 -0.588 -0.745 10.219 474 HA ALA 53 HA ALA 53 -0.548 1.073 12.365 475 1HB ALA 53 1HB ALA 53 1.557 -0.915 12.335 476 2HB ALA 53 2HB ALA 53 2.244 0.700 12.038 477 3HB ALA 53 3HB ALA 53 1.271 0.401 13.499 478 H ILE 54 H ILE 54 0.570 3.108 11.725 479 HA ILE 54 HA ILE 54 0.933 3.196 8.810 480 HB ILE 54 HB ILE 54 -1.167 4.230 9.623 481 1HG1 ILE 54 1HG1 ILE 54 0.562 6.447 8.579 482 2HG1 ILE 54 2HG1 ILE 54 0.371 4.997 7.613 483 1HG2 ILE 54 1HG2 ILE 54 -1.250 5.597 11.369 484 2HG2 ILE 54 2HG2 ILE 54 0.475 5.266 11.652 485 3HG2 ILE 54 3HG2 ILE 54 -0.012 6.663 10.663 486 1HD1 ILE 54 1HD1 ILE 54 -1.335 6.801 7.119 487 2HD1 ILE 54 2HD1 ILE 54 -2.053 5.239 7.580 488 3HD1 ILE 54 3HD1 ILE 54 -1.979 6.568 8.762 489 H ARG 55 H ARG 55 2.580 4.632 8.005 490 HA ARG 55 HA ARG 55 4.320 5.705 10.044 491 1HB ARG 55 1HB ARG 55 5.131 3.694 7.898 492 2HB ARG 55 2HB ARG 55 6.309 4.764 8.631 493 1HG ARG 55 1HG ARG 55 4.545 3.350 10.576 494 2HG ARG 55 2HG ARG 55 5.591 2.297 9.645 495 1HD ARG 55 1HD ARG 55 7.579 3.633 10.326 496 2HD ARG 55 2HD ARG 55 6.551 4.744 11.209 497 HE ARG 55 HE ARG 55 6.037 2.071 12.126 498 1HH1 ARG 55 2HH2 ARG 55 8.513 4.567 12.266 499 2HH1 ARG 55 1HH2 ARG 55 9.153 4.027 13.782 500 1HH2 ARG 55 2HH1 ARG 55 6.881 1.358 14.126 501 2HH2 ARG 55 1HH1 ARG 55 8.218 2.189 14.847 502 H VAL 56 H VAL 56 6.011 7.225 9.026 503 HA VAL 56 HA VAL 56 5.131 8.204 6.410 504 HB VAL 56 HB VAL 56 5.792 10.030 8.714 505 1HG1 VAL 56 1HG1 VAL 56 5.112 11.768 7.358 506 2HG1 VAL 56 2HG1 VAL 56 5.812 10.662 6.151 507 3HG1 VAL 56 3HG1 VAL 56 4.048 10.733 6.375 508 1HG2 VAL 56 1HG2 VAL 56 3.869 9.365 9.676 509 2HG2 VAL 56 2HG2 VAL 56 3.078 10.289 8.376 510 3HG2 VAL 56 3HG2 VAL 56 3.308 8.532 8.206 511 H TYR 57 H TYR 57 6.801 9.049 5.108 512 HA TYR 57 HA TYR 57 9.483 8.936 6.293 513 1HB TYR 57 1HB TYR 57 8.265 7.672 3.777 514 2HB TYR 57 2HB TYR 57 9.987 7.990 3.842 515 HD1 TYR 57 HD1 TYR 57 11.452 6.441 4.839 516 HD2 TYR 57 HD2 TYR 57 7.257 6.177 5.636 517 HE1 TYR 57 HE1 TYR 57 11.811 4.223 6.029 518 HE2 TYR 57 HE2 TYR 57 7.630 3.960 6.824 519 HH TYR 57 HH TYR 57 9.098 2.557 7.591 520 H ASN 58 H ASN 58 11.099 9.811 4.418 521 HA ASN 58 HA ASN 58 10.251 12.472 4.050 522 1HB ASN 58 1HB ASN 58 12.722 10.970 3.961 523 2HB ASN 58 2HB ASN 58 12.592 11.853 2.453 524 1HD2 ASN 58 1HD2 ASN 58 13.798 11.993 5.449 525 2HD2 ASN 58 2HD2 ASN 58 13.828 13.699 5.750 526 H SER 59 H SER 59 10.935 9.602 1.940 527 HA SER 59 HA SER 59 9.113 10.635 0.001 528 1HB SER 59 1HB SER 59 11.763 11.351 -0.349 529 2HB SER 59 2HB SER 59 11.683 9.869 -1.280 530 HG SER 59 HG SER 59 10.563 12.371 -1.812 531 H PHE 60 H PHE 60 9.034 8.944 -1.952 532 HA PHE 60 HA PHE 60 8.454 6.465 -0.836 533 1HB PHE 60 1HB PHE 60 8.699 7.805 -3.511 534 2HB PHE 60 2HB PHE 60 8.881 6.063 -3.580 535 HD1 PHE 60 HD1 PHE 60 6.575 8.687 -3.694 536 HD2 PHE 60 HD2 PHE 60 7.012 4.719 -2.254 537 HE1 PHE 60 HE1 PHE 60 4.079 8.425 -3.658 538 HE2 PHE 60 HE2 PHE 60 4.516 4.457 -2.218 539 HZ PHE 60 HZ PHE 60 3.079 6.313 -2.921 540 H ARG 61 H ARG 61 11.386 7.732 -2.474 541 HA ARG 61 HA ARG 61 12.613 5.344 -2.963 542 1HB ARG 61 1HB ARG 61 13.278 7.895 -3.452 543 2HB ARG 61 2HB ARG 61 14.234 7.714 -1.995 544 1HG ARG 61 1HG ARG 61 14.806 5.369 -3.430 545 2HG ARG 61 2HG ARG 61 14.690 6.586 -4.685 546 1HD ARG 61 1HD ARG 61 16.212 7.486 -2.295 547 2HD ARG 61 2HD ARG 61 16.939 6.118 -3.116 548 HE ARG 61 HE ARG 61 17.335 7.466 -5.022 549 1HH1 ARG 61 2HH2 ARG 61 15.350 9.188 -2.681 550 2HH1 ARG 61 1HH2 ARG 61 15.525 10.721 -3.469 551 1HH2 ARG 61 2HH1 ARG 61 17.566 9.488 -6.062 552 2HH2 ARG 61 1HH1 ARG 61 16.793 10.892 -5.405 553 H GLU 62 H GLU 62 12.605 7.414 0.002 554 HA GLU 62 HA GLU 62 14.470 5.883 1.390 555 1HB GLU 62 1HB GLU 62 12.542 8.062 1.996 556 2HB GLU 62 2HB GLU 62 12.927 7.042 3.367 557 1HG GLU 62 1HG GLU 62 14.527 8.890 3.289 558 2HG GLU 62 2HG GLU 62 15.374 7.398 2.933 559 H MET 63 H MET 63 10.888 5.744 1.104 560 HA MET 63 HA MET 63 10.491 3.909 3.143 561 1HB MET 63 1HB MET 63 8.991 5.208 1.019 562 2HB MET 63 2HB MET 63 8.586 3.503 0.994 563 1HG MET 63 1HG MET 63 8.310 3.763 3.605 564 2HG MET 63 2HG MET 63 8.243 5.482 3.274 565 1HE MET 63 1HE MET 63 5.562 2.149 1.860 566 2HE MET 63 2HE MET 63 6.382 2.886 0.463 567 3HE MET 63 3HE MET 63 7.339 2.234 1.815 568 H LEU 64 H LEU 64 10.925 3.450 -0.431 569 HA LEU 64 HA LEU 64 10.717 0.643 -0.300 570 1HB LEU 64 1HB LEU 64 12.086 2.312 -2.409 571 2HB LEU 64 2HB LEU 64 11.461 0.683 -2.581 572 HG LEU 64 HG LEU 64 9.376 2.514 -1.707 573 1HD1 LEU 64 1HD1 LEU 64 9.479 4.229 -3.133 574 2HD1 LEU 64 2HD1 LEU 64 11.194 3.796 -3.329 575 3HD1 LEU 64 3HD1 LEU 64 9.986 3.194 -4.489 576 1HD2 LEU 64 1HD2 LEU 64 8.655 0.485 -2.569 577 2HD2 LEU 64 2HD2 LEU 64 8.382 1.608 -3.923 578 3HD2 LEU 64 3HD2 LEU 64 9.802 0.534 -3.930 579 H GLU 65 H GLU 65 13.348 2.976 0.199 580 HA GLU 65 HA GLU 65 15.367 1.000 -0.008 581 1HB GLU 65 1HB GLU 65 15.239 3.900 0.804 582 2HB GLU 65 2HB GLU 65 16.661 2.978 1.250 583 1HG GLU 65 1HG GLU 65 16.437 2.204 -1.359 584 2HG GLU 65 2HG GLU 65 15.696 3.787 -1.472 585 H LYS 66 H LYS 66 13.420 2.489 2.605 586 HA LYS 66 HA LYS 66 14.956 1.148 4.645 587 1HB LYS 66 1HB LYS 66 13.664 3.490 4.653 588 2HB LYS 66 2HB LYS 66 12.346 2.483 5.216 589 1HG LYS 66 1HG LYS 66 13.261 2.580 7.290 590 2HG LYS 66 2HG LYS 66 14.563 1.568 6.696 591 1HD LYS 66 1HD LYS 66 15.913 3.323 7.265 592 2HD LYS 66 2HD LYS 66 15.375 4.025 5.753 593 1HE LYS 66 1HE LYS 66 13.299 4.736 7.448 594 2HE LYS 66 2HE LYS 66 14.665 4.776 8.545 595 1HZ LYS 66 1HZ LYS 66 15.800 6.201 6.958 596 2HZ LYS 66 2HZ LYS 66 14.496 6.191 5.975 597 3HZ LYS 66 3HZ LYS 66 14.396 6.870 7.456 598 H GLU 67 H GLU 67 11.439 1.139 3.712 599 HA GLU 67 HA GLU 67 10.947 -1.225 5.079 600 1HB GLU 67 1HB GLU 67 9.483 0.671 3.467 601 2HB GLU 67 2HB GLU 67 9.071 -0.943 2.922 602 1HG GLU 67 1HG GLU 67 8.854 0.154 5.759 603 2HG GLU 67 2HG GLU 67 7.538 -0.347 4.715 604 H GLY 68 H GLY 68 11.383 -0.577 1.527 605 1HA GLY 68 1HA GLY 68 12.981 -2.275 0.543 606 2HA GLY 68 2HA GLY 68 11.854 -3.469 1.156 607 H LEU 69 H LEU 69 12.742 -1.891 -1.609 608 HA LEU 69 HA LEU 69 10.433 -0.926 -2.744 609 1HB LEU 69 1HB LEU 69 12.387 -0.494 -3.883 610 2HB LEU 69 2HB LEU 69 12.951 -2.150 -3.786 611 HG LEU 69 HG LEU 69 10.968 -2.692 -5.379 612 1HD1 LEU 69 1HD1 LEU 69 9.655 -0.816 -5.519 613 2HD1 LEU 69 2HD1 LEU 69 11.041 0.300 -5.456 614 3HD1 LEU 69 3HD1 LEU 69 10.691 -0.601 -6.951 615 1HD2 LEU 69 1HD2 LEU 69 12.817 -3.095 -6.558 616 2HD2 LEU 69 2HD2 LEU 69 12.586 -1.475 -7.259 617 3HD2 LEU 69 3HD2 LEU 69 13.671 -1.696 -5.866 618 H GLU 70 H GLU 70 11.780 -4.291 -3.065 619 HA GLU 70 HA GLU 70 9.462 -5.220 -4.314 620 1HB GLU 70 1HB GLU 70 12.007 -6.344 -3.302 621 2HB GLU 70 2HB GLU 70 10.671 -7.474 -3.219 622 1HG GLU 70 1HG GLU 70 10.157 -7.027 -5.637 623 2HG GLU 70 2HG GLU 70 11.518 -5.925 -5.713 624 H ASN 71 H ASN 71 10.199 -4.456 -1.023 625 HA ASN 71 HA ASN 71 8.238 -6.317 -0.019 626 1HB ASN 71 1HB ASN 71 9.974 -4.240 1.419 627 2HB ASN 71 2HB ASN 71 8.935 -5.396 2.227 628 1HD2 ASN 71 1HD2 ASN 71 11.710 -5.148 2.600 629 2HD2 ASN 71 2HD2 ASN 71 12.492 -6.607 2.092 630 H VAL 72 H VAL 72 7.876 -3.696 -1.772 631 HA VAL 72 HA VAL 72 5.682 -2.657 -0.154 632 HB VAL 72 HB VAL 72 7.928 -1.054 -1.372 633 1HG1 VAL 72 1HG1 VAL 72 5.960 0.638 -0.156 634 2HG1 VAL 72 2HG1 VAL 72 6.555 0.639 -1.833 635 3HG1 VAL 72 3HG1 VAL 72 5.162 -0.374 -1.383 636 1HG2 VAL 72 1HG2 VAL 72 7.230 -1.891 1.297 637 2HG2 VAL 72 2HG2 VAL 72 8.657 -0.989 0.735 638 3HG2 VAL 72 3HG2 VAL 72 7.174 -0.115 1.189 639 H LEU 73 H LEU 73 7.418 -2.744 -3.326 640 HA LEU 73 HA LEU 73 4.773 -2.880 -4.584 641 1HB LEU 73 1HB LEU 73 6.009 -0.615 -4.726 642 2HB LEU 73 2HB LEU 73 7.084 -1.431 -5.844 643 HG LEU 73 HG LEU 73 4.534 -2.050 -6.798 644 1HD1 LEU 73 1HD1 LEU 73 3.084 -0.482 -6.210 645 2HD1 LEU 73 2HD1 LEU 73 4.318 0.296 -5.189 646 3HD1 LEU 73 3HD1 LEU 73 4.149 0.767 -6.898 647 1HD2 LEU 73 1HD2 LEU 73 6.836 -0.380 -7.611 648 2HD2 LEU 73 2HD2 LEU 73 5.974 -1.667 -8.488 649 3HD2 LEU 73 3HD2 LEU 73 5.292 -0.024 -8.422 650 HA PRO 74 HA PRO 74 7.012 -6.484 -5.864 651 1HB PRO 74 1HB PRO 74 4.834 -8.111 -6.141 652 2HB PRO 74 2HB PRO 74 5.733 -7.960 -4.644 653 1HG PRO 74 1HG PRO 74 3.090 -6.833 -5.341 654 2HG PRO 74 2HG PRO 74 3.805 -7.057 -3.757 655 1HD PRO 74 1HD PRO 74 3.578 -4.591 -5.204 656 2HD PRO 74 2HD PRO 74 4.395 -4.837 -3.673 657 H GLY 75 H GLY 75 7.845 -6.717 -7.835 658 1HA GLY 75 1HA GLY 75 7.301 -7.376 -10.098 659 2HA GLY 75 2HA GLY 75 5.926 -6.291 -10.045 660 H VAL 76 H VAL 76 7.396 -4.143 -8.554 661 HA VAL 76 HA VAL 76 8.120 -2.500 -10.536 662 HB VAL 76 HB VAL 76 7.902 -1.971 -8.128 663 1HG1 VAL 76 1HG1 VAL 76 9.357 -2.627 -6.521 664 2HG1 VAL 76 2HG1 VAL 76 9.728 -3.929 -7.676 665 3HG1 VAL 76 3HG1 VAL 76 10.772 -2.490 -7.592 666 1HG2 VAL 76 1HG2 VAL 76 10.567 -0.901 -9.026 667 2HG2 VAL 76 2HG2 VAL 76 9.095 -0.524 -9.953 668 3HG2 VAL 76 3HG2 VAL 76 9.211 -0.058 -8.239 669 H LYS 77 H LYS 77 10.084 -1.853 -11.600 670 HA LYS 77 HA LYS 77 11.817 -4.118 -12.073 671 1HB LYS 77 1HB LYS 77 11.536 -1.406 -13.395 672 2HB LYS 77 2HB LYS 77 12.743 -2.587 -13.859 673 1HG LYS 77 1HG LYS 77 10.557 -4.201 -13.909 674 2HG LYS 77 2HG LYS 77 9.761 -2.672 -14.223 675 1HD LYS 77 1HD LYS 77 10.317 -3.112 -16.405 676 2HD LYS 77 2HD LYS 77 11.869 -2.440 -15.948 677 1HE LYS 77 1HE LYS 77 12.545 -4.848 -15.259 678 2HE LYS 77 2HE LYS 77 11.094 -5.385 -16.082 679 1HZ LYS 77 1HZ LYS 77 12.090 -5.116 -18.014 680 2HZ LYS 77 2HZ LYS 77 12.562 -3.588 -17.682 681 3HZ LYS 77 3HZ LYS 77 13.497 -4.849 -17.229 682 H SER 78 H SER 78 11.843 -0.910 -10.510 683 HA SER 78 HA SER 78 14.079 -1.650 -8.995 684 1HB SER 78 1HB SER 78 14.509 0.192 -11.354 685 2HB SER 78 2HB SER 78 15.434 0.455 -9.889 686 HG SER 78 HG SER 78 15.331 -2.220 -10.821 687 H ILE 79 H ILE 79 14.796 0.326 -7.571 688 HA ILE 79 HA ILE 79 12.576 1.390 -6.348 689 HB ILE 79 HB ILE 79 15.433 2.365 -6.367 690 1HG1 ILE 79 1HG1 ILE 79 13.980 0.484 -4.484 691 2HG1 ILE 79 2HG1 ILE 79 15.163 0.013 -5.687 692 1HG2 ILE 79 1HG2 ILE 79 14.543 4.164 -5.348 693 2HG2 ILE 79 2HG2 ILE 79 13.023 3.327 -4.951 694 3HG2 ILE 79 3HG2 ILE 79 14.467 3.077 -3.941 695 1HD1 ILE 79 1HD1 ILE 79 16.450 0.175 -3.713 696 2HD1 ILE 79 2HD1 ILE 79 16.743 1.743 -4.503 697 3HD1 ILE 79 3HD1 ILE 79 15.585 1.628 -3.157 698 H GLU 80 H GLU 80 14.598 2.687 -9.015 699 HA GLU 80 HA GLU 80 13.445 5.223 -8.984 700 1HB GLU 80 1HB GLU 80 15.306 3.694 -10.650 701 2HB GLU 80 2HB GLU 80 14.256 4.690 -11.639 702 1HG GLU 80 1HG GLU 80 15.102 6.238 -9.335 703 2HG GLU 80 2HG GLU 80 16.518 5.519 -10.077 704 H GLU 81 H GLU 81 12.719 2.214 -10.862 705 HA GLU 81 HA GLU 81 10.736 3.345 -12.424 706 1HB GLU 81 1HB GLU 81 11.643 0.606 -11.698 707 2HB GLU 81 2HB GLU 81 9.971 0.705 -12.215 708 1HG GLU 81 1HG GLU 81 11.754 2.313 -13.929 709 2HG GLU 81 2HG GLU 81 12.227 0.626 -13.891 710 H GLY 82 H GLY 82 10.695 1.900 -9.142 711 1HA GLY 82 1HA GLY 82 7.953 1.608 -8.789 712 2HA GLY 82 2HA GLY 82 9.133 1.902 -7.528 713 H ILE 83 H ILE 83 10.105 4.446 -8.043 714 HA ILE 83 HA ILE 83 8.135 6.067 -6.989 715 HB ILE 83 HB ILE 83 10.712 6.657 -8.430 716 1HG1 ILE 83 1HG1 ILE 83 10.480 7.353 -5.605 717 2HG1 ILE 83 2HG1 ILE 83 10.164 5.652 -5.886 718 1HG2 ILE 83 1HG2 ILE 83 10.249 8.821 -8.544 719 2HG2 ILE 83 2HG2 ILE 83 8.588 8.482 -8.001 720 3HG2 ILE 83 3HG2 ILE 83 9.856 8.858 -6.809 721 1HD1 ILE 83 1HD1 ILE 83 12.689 7.193 -6.231 722 2HD1 ILE 83 2HD1 ILE 83 12.449 5.478 -5.819 723 3HD1 ILE 83 3HD1 ILE 83 12.345 6.008 -7.515 724 H GLN 84 H GLN 84 9.078 5.425 -10.393 725 HA GLN 84 HA GLN 84 7.676 7.464 -11.561 726 1HB GLN 84 1HB GLN 84 8.849 4.895 -12.379 727 2HB GLN 84 2HB GLN 84 7.431 5.292 -13.329 728 1HG GLN 84 1HG GLN 84 9.427 6.246 -14.398 729 2HG GLN 84 2HG GLN 84 8.390 7.542 -13.835 730 1HE2 GLN 84 1HE2 GLN 84 11.459 6.131 -13.735 731 2HE2 GLN 84 2HE2 GLN 84 12.195 7.106 -12.508 732 H VAL 85 H VAL 85 6.575 4.272 -10.349 733 HA VAL 85 HA VAL 85 4.016 4.376 -11.509 734 HB VAL 85 HB VAL 85 5.463 2.800 -9.470 735 1HG1 VAL 85 1HG1 VAL 85 3.378 1.657 -8.717 736 2HG1 VAL 85 2HG1 VAL 85 3.510 3.338 -8.149 737 3HG1 VAL 85 3HG1 VAL 85 2.431 2.940 -9.507 738 1HG2 VAL 85 1HG2 VAL 85 3.598 2.120 -11.768 739 2HG2 VAL 85 2HG2 VAL 85 5.377 2.051 -11.773 740 3HG2 VAL 85 3HG2 VAL 85 4.445 0.926 -10.755 741 H TYR 86 H TYR 86 5.409 5.573 -8.418 742 HA TYR 86 HA TYR 86 2.875 6.365 -7.380 743 1HB TYR 86 1HB TYR 86 5.739 7.316 -6.765 744 2HB TYR 86 2HB TYR 86 4.382 7.381 -5.658 745 HD1 TYR 86 HD1 TYR 86 3.352 4.515 -6.442 746 HD2 TYR 86 HD2 TYR 86 7.161 6.063 -5.258 747 HE1 TYR 86 HE1 TYR 86 4.000 2.236 -5.520 748 HE2 TYR 86 HE2 TYR 86 7.796 3.779 -4.340 749 HH TYR 86 HH TYR 86 5.738 1.510 -3.576 750 H ARG 87 H ARG 87 5.266 7.764 -9.563 751 HA ARG 87 HA ARG 87 4.479 10.427 -9.080 752 1HB ARG 87 1HB ARG 87 6.558 9.110 -10.478 753 2HB ARG 87 2HB ARG 87 5.655 9.929 -11.737 754 1HG ARG 87 1HG ARG 87 5.794 11.874 -9.734 755 2HG ARG 87 2HG ARG 87 7.344 11.070 -9.588 756 1HD ARG 87 1HD ARG 87 7.023 11.347 -12.368 757 2HD ARG 87 2HD ARG 87 6.351 12.836 -11.736 758 HE ARG 87 HE ARG 87 8.753 12.457 -10.328 759 1HH1 ARG 87 2HH2 ARG 87 7.804 12.848 -13.694 760 2HH1 ARG 87 1HH2 ARG 87 9.301 13.582 -14.163 761 1HH2 ARG 87 2HH1 ARG 87 10.728 13.426 -10.947 762 2HH2 ARG 87 1HH1 ARG 87 10.975 13.913 -12.590 763 H ARG 88 H ARG 88 3.777 7.914 -11.589 764 HA ARG 88 HA ARG 88 2.212 9.587 -13.164 765 1HB ARG 88 1HB ARG 88 1.396 7.430 -14.184 766 2HB ARG 88 2HB ARG 88 3.142 7.498 -14.054 767 1HG ARG 88 1HG ARG 88 3.074 6.143 -11.978 768 2HG ARG 88 2HG ARG 88 1.322 6.135 -12.013 769 1HD ARG 88 1HD ARG 88 1.908 4.047 -12.987 770 2HD ARG 88 2HD ARG 88 1.533 5.053 -14.372 771 HE ARG 88 HE ARG 88 4.341 5.265 -13.699 772 1HH1 ARG 88 2HH2 ARG 88 2.000 3.137 -15.241 773 2HH1 ARG 88 1HH2 ARG 88 3.175 2.373 -16.260 774 1HH2 ARG 88 2HH1 ARG 88 5.890 4.258 -15.042 775 2HH2 ARG 88 1HH1 ARG 88 5.402 3.015 -16.146 776 H PHE 89 H PHE 89 1.544 7.460 -10.356 777 HA PHE 89 HA PHE 89 -1.291 7.679 -10.619 778 1HB PHE 89 1HB PHE 89 0.811 6.491 -8.828 779 2HB PHE 89 2HB PHE 89 -0.677 6.904 -8.000 780 HD1 PHE 89 HD1 PHE 89 -2.826 6.192 -9.662 781 HD2 PHE 89 HD2 PHE 89 0.936 4.256 -9.335 782 HE1 PHE 89 HE1 PHE 89 -3.860 4.047 -10.454 783 HE2 PHE 89 HE2 PHE 89 -0.098 2.111 -10.126 784 HZ PHE 89 HZ PHE 89 -2.485 2.032 -10.676 785 H TYR 90 H TYR 90 1.191 8.994 -8.310 786 HA TYR 90 HA TYR 90 -0.811 10.992 -7.510 787 1HB TYR 90 1HB TYR 90 1.825 10.518 -6.095 788 2HB TYR 90 2HB TYR 90 0.257 10.845 -5.384 789 HD1 TYR 90 HD1 TYR 90 2.710 8.430 -5.644 790 HD2 TYR 90 HD2 TYR 90 -1.538 8.835 -5.960 791 HE1 TYR 90 HE1 TYR 90 2.428 5.959 -5.115 792 HE2 TYR 90 HE2 TYR 90 -1.805 6.363 -5.431 793 HH TYR 90 HH TYR 90 0.381 4.201 -5.776 794 H ASP 91 H ASP 91 -0.239 13.214 -7.426 795 HA ASP 91 HA ASP 91 1.403 14.057 -9.457 796 1HB ASP 91 1HB ASP 91 0.879 15.775 -7.016 797 2HB ASP 91 2HB ASP 91 0.927 16.262 -8.699 798 H GLU 92 H GLU 92 3.544 15.091 -9.393 799 HA GLU 92 HA GLU 92 5.272 13.893 -7.530 800 1HB GLU 92 1HB GLU 92 7.038 15.191 -8.706 801 2HB GLU 92 2HB GLU 92 5.986 14.352 -9.829 802 1HG GLU 92 1HG GLU 92 4.632 16.715 -9.647 803 2HG GLU 92 2HG GLU 92 6.250 17.294 -9.306 804 H GLU 93 H GLU 93 3.778 17.129 -7.897 805 HA GLU 93 HA GLU 93 5.383 18.321 -5.917 806 1HB GLU 93 1HB GLU 93 3.412 19.145 -7.804 807 2HB GLU 93 2HB GLU 93 2.805 19.631 -6.234 808 1HG GLU 93 1HG GLU 93 4.547 21.122 -5.855 809 2HG GLU 93 2HG GLU 93 5.713 20.161 -6.742 810 H LYS 94 H LYS 94 2.000 17.011 -5.980 811 HA LYS 94 HA LYS 94 1.365 17.602 -3.352 812 1HB LYS 94 1HB LYS 94 -0.547 16.444 -3.759 813 2HB LYS 94 2HB LYS 94 -0.006 16.634 -5.415 814 1HG LYS 94 1HG LYS 94 1.006 14.391 -5.402 815 2HG LYS 94 2HG LYS 94 0.666 14.203 -3.693 816 1HD LYS 94 1HD LYS 94 -1.379 14.413 -5.948 817 2HD LYS 94 2HD LYS 94 -1.036 12.999 -4.973 818 1HE LYS 94 1HE LYS 94 -2.768 13.702 -3.661 819 2HE LYS 94 2HE LYS 94 -1.628 14.865 -3.014 820 1HZ LYS 94 1HZ LYS 94 -3.634 15.912 -3.806 821 2HZ LYS 94 2HZ LYS 94 -2.352 16.429 -4.675 822 3HZ LYS 94 3HZ LYS 94 -3.390 15.344 -5.317 823 H GLU 95 H GLU 95 3.125 14.815 -4.792 824 HA GLU 95 HA GLU 95 3.208 13.344 -2.430 825 1HB GLU 95 1HB GLU 95 3.705 12.625 -4.883 826 2HB GLU 95 2HB GLU 95 5.325 13.234 -4.606 827 1HG GLU 95 1HG GLU 95 4.166 11.369 -2.541 828 2HG GLU 95 2HG GLU 95 4.650 10.676 -4.076 829 H LYS 96 H LYS 96 5.639 15.544 -3.997 830 HA LYS 96 HA LYS 96 7.506 15.308 -1.907 831 1HB LYS 96 1HB LYS 96 7.124 17.094 -4.281 832 2HB LYS 96 2HB LYS 96 8.258 17.589 -3.041 833 1HG LYS 96 1HG LYS 96 9.545 15.540 -3.273 834 2HG LYS 96 2HG LYS 96 8.310 14.799 -4.270 835 1HD LYS 96 1HD LYS 96 9.018 17.282 -5.530 836 2HD LYS 96 2HD LYS 96 10.518 16.492 -5.086 837 1HE LYS 96 1HE LYS 96 9.322 14.330 -6.116 838 2HE LYS 96 2HE LYS 96 8.343 15.521 -6.950 839 1HZ LYS 96 1HZ LYS 96 10.058 15.391 -8.370 840 2HZ LYS 96 2HZ LYS 96 10.718 16.519 -7.391 841 3HZ LYS 96 3HZ LYS 96 11.155 14.952 -7.243 842 H LYS 97 H LYS 97 4.442 16.870 -2.126 843 HA LYS 97 HA LYS 97 5.037 19.046 -0.389 844 1HB LYS 97 1HB LYS 97 3.196 18.998 -2.091 845 2HB LYS 97 2HB LYS 97 2.351 17.831 -1.095 846 1HG LYS 97 1HG LYS 97 1.587 19.455 0.295 847 2HG LYS 97 2HG LYS 97 3.206 20.075 0.555 848 1HD LYS 97 1HD LYS 97 2.271 20.757 -2.135 849 2HD LYS 97 2HD LYS 97 1.120 21.303 -0.931 850 1HE LYS 97 1HE LYS 97 3.309 22.182 0.325 851 2HE LYS 97 2HE LYS 97 4.022 22.090 -1.273 852 1HZ LYS 97 1HZ LYS 97 1.471 23.452 -0.823 853 2HZ LYS 97 2HZ LYS 97 2.897 24.224 -0.635 854 3HZ LYS 97 3HZ LYS 97 2.488 23.607 -2.091 855 H TYR 98 H TYR 98 3.163 15.957 0.043 856 HA TYR 98 HA TYR 98 3.434 16.287 2.921 857 1HB TYR 98 1HB TYR 98 2.036 14.310 1.014 858 2HB TYR 98 2HB TYR 98 1.902 14.198 2.758 859 HD1 TYR 98 HD1 TYR 98 0.713 15.863 -0.238 860 HD2 TYR 98 HD2 TYR 98 0.741 16.032 4.037 861 HE1 TYR 98 HE1 TYR 98 -1.267 17.456 -0.281 862 HE2 TYR 98 HE2 TYR 98 -1.240 17.625 3.979 863 HH TYR 98 HH TYR 98 -3.196 17.999 2.192 864 H GLY 99 H GLY 99 4.070 13.757 0.385 865 1HA GLY 99 1HA GLY 99 6.350 12.826 0.453 866 2HA GLY 99 2HA GLY 99 6.153 12.672 2.187 867 H VAL 100 H VAL 100 6.384 10.387 2.237 868 HA VAL 100 HA VAL 100 4.111 8.965 1.035 869 HB VAL 100 HB VAL 100 6.796 7.694 1.449 870 1HG1 VAL 100 1HG1 VAL 100 4.554 7.177 -0.534 871 2HG1 VAL 100 2HG1 VAL 100 6.036 6.210 -0.339 872 3HG1 VAL 100 3HG1 VAL 100 4.835 6.275 0.974 873 1HG2 VAL 100 1HG2 VAL 100 7.583 9.386 0.095 874 2HG2 VAL 100 2HG2 VAL 100 7.035 8.215 -1.129 875 3HG2 VAL 100 3HG2 VAL 100 6.016 9.616 -0.719 876 H VAL 101 H VAL 101 3.355 7.096 2.269 877 HA VAL 101 HA VAL 101 4.339 7.019 5.019 878 HB VAL 101 HB VAL 101 1.923 6.906 5.748 879 1HG1 VAL 101 1HG1 VAL 101 3.269 8.851 6.239 880 2HG1 VAL 101 2HG1 VAL 101 3.015 9.495 4.600 881 3HG1 VAL 101 3HG1 VAL 101 1.648 9.388 5.735 882 1HG2 VAL 101 1HG2 VAL 101 0.242 7.964 4.307 883 2HG2 VAL 101 2HG2 VAL 101 1.444 8.117 3.003 884 3HG2 VAL 101 3HG2 VAL 101 0.915 6.505 3.542 885 H ALA 102 H ALA 102 5.131 4.972 5.129 886 HA ALA 102 HA ALA 102 3.944 2.884 3.560 887 1HB ALA 102 1HB ALA 102 5.805 1.955 5.564 888 2HB ALA 102 2HB ALA 102 6.009 2.036 3.797 889 3HB ALA 102 3HB ALA 102 6.439 3.437 4.808 890 H ILE 103 H ILE 103 1.854 2.417 4.231 891 HA ILE 103 HA ILE 103 1.376 2.097 7.072 892 HB ILE 103 HB ILE 103 -0.500 1.849 4.719 893 1HG1 ILE 103 1HG1 ILE 103 -0.942 4.198 6.296 894 2HG1 ILE 103 2HG1 ILE 103 0.746 4.166 5.828 895 1HG2 ILE 103 1HG2 ILE 103 -0.822 1.565 7.654 896 2HG2 ILE 103 2HG2 ILE 103 -2.070 2.504 6.801 897 3HG2 ILE 103 3HG2 ILE 103 -1.731 0.826 6.314 898 1HD1 ILE 103 1HD1 ILE 103 -1.052 5.216 4.196 899 2HD1 ILE 103 2HD1 ILE 103 0.263 4.217 3.530 900 3HD1 ILE 103 3HD1 ILE 103 -1.359 3.519 3.755 901 H GLU 104 H GLU 104 1.075 0.154 8.123 902 HA GLU 104 HA GLU 104 1.816 -2.153 6.547 903 1HB GLU 104 1HB GLU 104 2.974 -1.561 8.737 904 2HB GLU 104 2HB GLU 104 1.480 -1.942 9.569 905 1HG GLU 104 1HG GLU 104 1.820 -4.191 9.387 906 2HG GLU 104 2HG GLU 104 2.250 -4.076 7.692 907 H ILE 105 H ILE 105 0.183 -3.324 5.640 908 HA ILE 105 HA ILE 105 -2.364 -3.393 7.093 909 HB ILE 105 HB ILE 105 -3.460 -3.668 5.060 910 1HG1 ILE 105 1HG1 ILE 105 -1.965 -5.428 4.155 911 2HG1 ILE 105 2HG1 ILE 105 -2.460 -4.248 2.957 912 1HG2 ILE 105 1HG2 ILE 105 -3.053 -1.428 5.055 913 2HG2 ILE 105 2HG2 ILE 105 -1.284 -1.630 5.041 914 3HG2 ILE 105 3HG2 ILE 105 -2.219 -1.870 3.546 915 1HD1 ILE 105 1HD1 ILE 105 -0.189 -3.029 3.767 916 2HD1 ILE 105 2HD1 ILE 105 0.245 -4.707 4.173 917 3HD1 ILE 105 3HD1 ILE 105 -0.191 -4.281 2.501 918 H GLU 106 H GLU 106 -3.605 -5.586 6.497 919 HA GLU 106 HA GLU 106 -1.899 -7.822 6.212 920 1HB GLU 106 1HB GLU 106 -1.511 -7.176 8.627 921 2HB GLU 106 2HB GLU 106 -3.216 -7.437 8.936 922 1HG GLU 106 1HG GLU 106 -2.597 -9.584 9.416 923 2HG GLU 106 2HG GLU 106 -2.568 -9.801 7.677 924 HA PRO 107 HA PRO 107 -6.037 -8.686 4.862 925 1HB PRO 107 1HB PRO 107 -5.353 -10.382 2.832 926 2HB PRO 107 2HB PRO 107 -5.502 -8.649 2.623 927 1HG PRO 107 1HG PRO 107 -3.050 -10.290 2.795 928 2HG PRO 107 2HG PRO 107 -3.240 -8.663 2.173 929 1HD PRO 107 1HD PRO 107 -2.131 -9.413 4.710 930 2HD PRO 107 2HD PRO 107 -2.428 -7.784 4.137 931 H LEU 108 H LEU 108 -6.981 -9.723 6.547 932 HA LEU 108 HA LEU 108 -5.937 -12.317 7.224 933 1HB LEU 108 1HB LEU 108 -8.002 -12.186 8.799 934 2HB LEU 108 2HB LEU 108 -6.563 -11.237 9.116 935 HG LEU 108 HG LEU 108 -8.668 -9.914 7.486 936 1HD1 LEU 108 1HD1 LEU 108 -10.010 -11.125 9.158 937 2HD1 LEU 108 2HD1 LEU 108 -9.050 -10.377 10.457 938 3HD1 LEU 108 3HD1 LEU 108 -10.059 -9.362 9.399 939 1HD2 LEU 108 1HD2 LEU 108 -7.562 -8.082 8.084 940 2HD2 LEU 108 2HD2 LEU 108 -7.665 -8.497 9.812 941 3HD2 LEU 108 3HD2 LEU 108 -6.340 -9.148 8.818 942 H GLU 109 H GLU 109 -6.252 -13.316 5.087 943 HA GLU 109 HA GLU 109 -9.001 -14.239 4.875 944 1HB GLU 109 1HB GLU 109 -8.206 -12.422 3.116 945 2HB GLU 109 2HB GLU 109 -7.369 -13.770 2.373 946 1HG GLU 109 1HG GLU 109 -9.379 -14.053 1.287 947 2HG GLU 109 2HG GLU 109 -9.790 -14.947 2.737 948 H TYR 110 H TYR 110 -7.885 -15.639 2.273 949 HA TYR 110 HA TYR 110 -6.338 -17.704 3.686 950 1HB TYR 110 1HB TYR 110 -8.936 -17.678 2.238 951 2HB TYR 110 2HB TYR 110 -7.830 -18.833 1.520 952 HD1 TYR 110 HD1 TYR 110 -6.368 -19.792 3.951 953 HD2 TYR 110 HD2 TYR 110 -10.529 -19.025 3.314 954 HE1 TYR 110 HE1 TYR 110 -6.963 -21.478 5.758 955 HE2 TYR 110 HE2 TYR 110 -11.109 -20.714 5.124 956 HH TYR 110 HH TYR 110 -9.956 -22.777 6.095 Start of MODEL 13 1 HA MET 1 HA MET 1 -14.881 1.545 10.879 2 1HB MET 1 1HB MET 1 -16.641 2.986 8.820 3 2HB MET 1 2HB MET 1 -17.172 1.749 9.942 4 1HG MET 1 1HG MET 1 -15.933 3.732 11.563 5 2HG MET 1 2HG MET 1 -16.869 4.628 10.384 6 1HE MET 1 1HE MET 1 -17.314 1.075 11.842 7 2HE MET 1 2HE MET 1 -17.008 1.996 13.334 8 3HE MET 1 3HE MET 1 -18.613 1.284 13.041 9 H GLU 2 H GLU 2 -16.526 0.172 8.993 10 HA GLU 2 HA GLU 2 -14.558 -1.198 7.590 11 1HB GLU 2 1HB GLU 2 -16.620 -2.285 8.333 12 2HB GLU 2 2HB GLU 2 -17.596 -1.221 7.340 13 1HG GLU 2 1HG GLU 2 -15.567 -2.481 5.678 14 2HG GLU 2 2HG GLU 2 -16.411 -3.716 6.591 15 H TRP 3 H TRP 3 -13.393 -0.192 5.981 16 HA TRP 3 HA TRP 3 -14.761 1.623 4.187 17 1HB TRP 3 1HB TRP 3 -11.870 0.789 4.065 18 2HB TRP 3 2HB TRP 3 -12.618 2.236 3.418 19 HD1 TRP 3 HD1 TRP 3 -11.155 0.854 6.661 20 HE1 TRP 3 HE1 TRP 3 -10.975 2.714 8.525 21 HE3 TRP 3 HE3 TRP 3 -13.845 4.368 4.156 22 HZ2 TRP 3 HZ2 TRP 3 -11.956 5.385 8.738 23 HZ3 TRP 3 HZ3 TRP 3 -14.187 6.575 5.263 24 HH2 TRP 3 HH2 TRP 3 -13.293 7.109 7.474 25 H GLU 4 H GLU 4 -14.684 1.294 1.819 26 HA GLU 4 HA GLU 4 -14.224 -1.474 1.074 27 1HB GLU 4 1HB GLU 4 -16.348 -1.377 -0.323 28 2HB GLU 4 2HB GLU 4 -16.600 -1.445 1.410 29 1HG GLU 4 1HG GLU 4 -16.365 1.326 0.774 30 2HG GLU 4 2HG GLU 4 -17.382 0.639 -0.477 31 H MET 5 H MET 5 -13.053 -1.644 -0.807 32 HA MET 5 HA MET 5 -12.945 0.775 -2.439 33 1HB MET 5 1HB MET 5 -10.837 -0.961 -1.242 34 2HB MET 5 2HB MET 5 -10.579 -0.651 -2.948 35 1HG MET 5 1HG MET 5 -9.490 1.061 -1.437 36 2HG MET 5 2HG MET 5 -10.598 1.763 -2.600 37 1HE MET 5 1HE MET 5 -10.627 3.270 1.308 38 2HE MET 5 2HE MET 5 -9.372 2.197 0.643 39 3HE MET 5 3HE MET 5 -9.912 3.617 -0.285 40 H GLY 6 H GLY 6 -11.771 0.030 -4.720 41 1HA GLY 6 1HA GLY 6 -12.845 -2.537 -5.610 42 2HA GLY 6 2HA GLY 6 -13.519 -1.095 -6.344 43 H LEU 7 H LEU 7 -10.148 -1.954 -5.277 44 HA LEU 7 HA LEU 7 -9.079 -0.777 -7.648 45 1HB LEU 7 1HB LEU 7 -6.924 -1.524 -6.710 46 2HB LEU 7 2HB LEU 7 -7.874 -0.525 -5.627 47 HG LEU 7 HG LEU 7 -8.621 -3.099 -4.909 48 1HD1 LEU 7 1HD1 LEU 7 -7.077 -4.528 -5.635 49 2HD1 LEU 7 2HD1 LEU 7 -6.015 -3.215 -6.199 50 3HD1 LEU 7 3HD1 LEU 7 -5.949 -3.747 -4.502 51 1HD2 LEU 7 1HD2 LEU 7 -7.160 -2.671 -2.907 52 2HD2 LEU 7 2HD2 LEU 7 -6.573 -1.208 -3.734 53 3HD2 LEU 7 3HD2 LEU 7 -8.296 -1.363 -3.315 54 H GLN 8 H GLN 8 -7.169 -2.291 -8.697 55 HA GLN 8 HA GLN 8 -8.637 -4.185 -10.145 56 1HB GLN 8 1HB GLN 8 -6.033 -2.911 -10.271 57 2HB GLN 8 2HB GLN 8 -5.842 -4.632 -10.540 58 1HG GLN 8 1HG GLN 8 -8.178 -3.763 -12.000 59 2HG GLN 8 2HG GLN 8 -6.876 -2.645 -12.356 60 1HE2 GLN 8 1HE2 GLN 8 -7.805 -4.134 -14.354 61 2HE2 GLN 8 2HE2 GLN 8 -6.697 -5.380 -14.824 62 H GLU 9 H GLU 9 -8.183 -6.530 -10.336 63 HA GLU 9 HA GLU 9 -8.045 -7.702 -7.800 64 1HB GLU 9 1HB GLU 9 -9.306 -8.554 -9.854 65 2HB GLU 9 2HB GLU 9 -7.769 -9.106 -10.490 66 1HG GLU 9 1HG GLU 9 -7.531 -10.293 -8.123 67 2HG GLU 9 2HG GLU 9 -9.270 -10.090 -8.049 68 H GLU 10 H GLU 10 -5.735 -7.404 -10.552 69 HA GLU 10 HA GLU 10 -3.821 -9.126 -9.693 70 1HB GLU 10 1HB GLU 10 -4.036 -6.938 -11.573 71 2HB GLU 10 2HB GLU 10 -2.490 -6.818 -10.757 72 1HG GLU 10 1HG GLU 10 -2.358 -9.435 -11.226 73 2HG GLU 10 2HG GLU 10 -3.565 -9.088 -12.447 74 H PHE 11 H PHE 11 -4.635 -5.868 -8.499 75 HA PHE 11 HA PHE 11 -2.244 -5.570 -6.989 76 1HB PHE 11 1HB PHE 11 -4.911 -4.246 -7.441 77 2HB PHE 11 2HB PHE 11 -4.201 -3.922 -5.872 78 HD1 PHE 11 HD1 PHE 11 -3.173 -1.871 -5.800 79 HD2 PHE 11 HD2 PHE 11 -2.845 -4.171 -9.351 80 HE1 PHE 11 HE1 PHE 11 -1.730 -0.089 -6.821 81 HE2 PHE 11 HE2 PHE 11 -1.402 -2.389 -10.372 82 HZ PHE 11 HZ PHE 11 -0.862 -0.369 -9.095 83 H LEU 12 H LEU 12 -5.421 -7.068 -6.484 84 HA LEU 12 HA LEU 12 -5.387 -7.049 -3.680 85 1HB LEU 12 1HB LEU 12 -6.755 -8.826 -5.699 86 2HB LEU 12 2HB LEU 12 -7.019 -8.949 -3.971 87 HG LEU 12 HG LEU 12 -7.542 -6.452 -5.606 88 1HD1 LEU 12 1HD1 LEU 12 -9.956 -7.541 -4.621 89 2HD1 LEU 12 2HD1 LEU 12 -9.423 -7.390 -6.313 90 3HD1 LEU 12 3HD1 LEU 12 -9.070 -8.875 -5.398 91 1HD2 LEU 12 1HD2 LEU 12 -8.997 -6.609 -3.133 92 2HD2 LEU 12 2HD2 LEU 12 -7.257 -6.816 -2.821 93 3HD2 LEU 12 3HD2 LEU 12 -7.841 -5.377 -3.691 94 H GLU 13 H GLU 13 -4.343 -9.538 -6.104 95 HA GLU 13 HA GLU 13 -3.544 -11.417 -4.293 96 1HB GLU 13 1HB GLU 13 -2.560 -12.505 -6.107 97 2HB GLU 13 2HB GLU 13 -3.680 -11.434 -6.925 98 1HG GLU 13 1HG GLU 13 -1.616 -9.736 -6.876 99 2HG GLU 13 2HG GLU 13 -0.675 -11.200 -6.673 100 H LEU 14 H LEU 14 -2.095 -8.328 -5.120 101 HA LEU 14 HA LEU 14 0.525 -9.004 -4.208 102 1HB LEU 14 1HB LEU 14 -0.831 -6.383 -4.842 103 2HB LEU 14 2HB LEU 14 0.845 -6.518 -4.348 104 HG LEU 14 HG LEU 14 -0.451 -7.436 -6.904 105 1HD1 LEU 14 1HD1 LEU 14 0.407 -5.469 -7.520 106 2HD1 LEU 14 2HD1 LEU 14 1.436 -5.356 -6.071 107 3HD1 LEU 14 3HD1 LEU 14 1.985 -6.292 -7.482 108 1HD2 LEU 14 1HD2 LEU 14 1.941 -8.614 -5.561 109 2HD2 LEU 14 2HD2 LEU 14 0.711 -9.376 -6.598 110 3HD2 LEU 14 3HD2 LEU 14 1.991 -8.375 -7.324 111 H ILE 15 H ILE 15 -2.406 -7.416 -2.847 112 HA ILE 15 HA ILE 15 -1.273 -6.551 -0.474 113 HB ILE 15 HB ILE 15 -3.948 -7.027 -1.565 114 1HG1 ILE 15 1HG1 ILE 15 -4.267 -4.844 -0.182 115 2HG1 ILE 15 2HG1 ILE 15 -2.525 -4.887 0.006 116 1HG2 ILE 15 1HG2 ILE 15 -4.116 -8.429 0.444 117 2HG2 ILE 15 2HG2 ILE 15 -3.578 -7.057 1.443 118 3HG2 ILE 15 3HG2 ILE 15 -5.123 -6.966 0.565 119 1HD1 ILE 15 1HD1 ILE 15 -4.022 -4.926 -2.655 120 2HD1 ILE 15 2HD1 ILE 15 -3.145 -3.539 -1.967 121 3HD1 ILE 15 3HD1 ILE 15 -2.253 -4.994 -2.474 122 H LYS 16 H LYS 16 -2.540 -9.761 -1.467 123 HA LYS 16 HA LYS 16 -2.423 -10.898 1.100 124 1HB LYS 16 1HB LYS 16 -3.306 -11.646 -1.443 125 2HB LYS 16 2HB LYS 16 -2.013 -12.775 -1.094 126 1HG LYS 16 1HG LYS 16 -3.781 -13.876 -0.055 127 2HG LYS 16 2HG LYS 16 -3.193 -12.927 1.296 128 1HD LYS 16 1HD LYS 16 -5.218 -11.926 1.462 129 2HD LYS 16 2HD LYS 16 -4.995 -11.228 -0.130 130 1HE LYS 16 1HE LYS 16 -7.097 -12.620 0.083 131 2HE LYS 16 2HE LYS 16 -6.039 -13.141 -1.213 132 1HZ LYS 16 1HZ LYS 16 -5.255 -14.464 1.081 133 2HZ LYS 16 2HZ LYS 16 -6.881 -14.592 1.001 134 3HZ LYS 16 3HZ LYS 16 -5.959 -15.099 -0.248 135 H LEU 17 H LEU 17 -0.012 -10.215 -1.400 136 HA LEU 17 HA LEU 17 1.934 -11.940 -0.140 137 1HB LEU 17 1HB LEU 17 1.880 -10.187 -2.575 138 2HB LEU 17 2HB LEU 17 3.402 -10.774 -1.935 139 HG LEU 17 HG LEU 17 1.361 -12.873 -2.290 140 1HD1 LEU 17 1HD1 LEU 17 2.574 -12.093 -4.873 141 2HD1 LEU 17 2HD1 LEU 17 0.971 -12.774 -4.507 142 3HD1 LEU 17 3HD1 LEU 17 1.273 -11.035 -4.274 143 1HD2 LEU 17 1HD2 LEU 17 3.461 -13.684 -1.760 144 2HD2 LEU 17 2HD2 LEU 17 3.418 -13.871 -3.530 145 3HD2 LEU 17 3HD2 LEU 17 4.299 -12.507 -2.801 146 H ARG 18 H ARG 18 0.824 -8.603 -0.047 147 HA ARG 18 HA ARG 18 3.231 -7.587 1.005 148 1HB ARG 18 1HB ARG 18 0.369 -6.505 1.013 149 2HB ARG 18 2HB ARG 18 1.745 -5.586 1.592 150 1HG ARG 18 1HG ARG 18 2.641 -5.298 -0.544 151 2HG ARG 18 2HG ARG 18 1.985 -6.807 -1.146 152 1HD ARG 18 1HD ARG 18 0.014 -5.833 -1.812 153 2HD ARG 18 2HD ARG 18 -0.110 -4.857 -0.361 154 HE ARG 18 HE ARG 18 1.991 -4.029 -2.269 155 1HH1 ARG 18 2HH2 ARG 18 -1.303 -3.565 -1.121 156 2HH1 ARG 18 1HH2 ARG 18 -1.452 -1.978 -1.799 157 1HH2 ARG 18 2HH1 ARG 18 1.795 -1.935 -3.163 158 2HH2 ARG 18 1HH1 ARG 18 0.322 -1.045 -2.968 159 H LYS 19 H LYS 19 1.087 -9.794 2.261 160 HA LYS 19 HA LYS 19 0.732 -8.719 4.880 161 1HB LYS 19 1HB LYS 19 -0.815 -10.336 3.727 162 2HB LYS 19 2HB LYS 19 0.403 -11.579 3.932 163 1HG LYS 19 1HG LYS 19 0.363 -11.184 6.417 164 2HG LYS 19 2HG LYS 19 -0.889 -9.979 6.193 165 1HD LYS 19 1HD LYS 19 -2.180 -11.869 6.681 166 2HD LYS 19 2HD LYS 19 -2.177 -11.916 4.929 167 1HE LYS 19 1HE LYS 19 -1.216 -13.968 4.985 168 2HE LYS 19 2HE LYS 19 0.191 -13.291 5.781 169 1HZ LYS 19 1HZ LYS 19 -1.966 -14.771 6.900 170 2HZ LYS 19 2HZ LYS 19 -0.451 -14.552 7.467 171 3HZ LYS 19 3HZ LYS 19 -1.603 -13.434 7.764 172 H LYS 20 H LYS 20 3.433 -9.819 3.203 173 HA LYS 20 HA LYS 20 4.635 -10.950 5.622 174 1HB LYS 20 1HB LYS 20 4.871 -11.502 2.762 175 2HB LYS 20 2HB LYS 20 6.433 -11.254 3.514 176 1HG LYS 20 1HG LYS 20 5.982 -13.586 3.789 177 2HG LYS 20 2HG LYS 20 5.675 -12.879 5.363 178 1HD LYS 20 1HD LYS 20 3.235 -12.796 4.870 179 2HD LYS 20 2HD LYS 20 3.522 -13.450 3.270 180 1HE LYS 20 1HE LYS 20 3.790 -15.594 4.049 181 2HE LYS 20 2HE LYS 20 4.727 -15.080 5.438 182 1HZ LYS 20 1HZ LYS 20 2.923 -15.219 6.665 183 2HZ LYS 20 2HZ LYS 20 2.093 -14.188 5.708 184 3HZ LYS 20 3HZ LYS 20 2.077 -15.789 5.390 185 H LYS 21 H LYS 21 4.571 -8.188 3.443 186 HA LYS 21 HA LYS 21 6.760 -7.030 5.021 187 1HB LYS 21 1HB LYS 21 6.259 -6.631 2.055 188 2HB LYS 21 2HB LYS 21 7.480 -5.810 3.006 189 1HG LYS 21 1HG LYS 21 8.900 -7.566 2.802 190 2HG LYS 21 2HG LYS 21 7.711 -8.662 3.478 191 1HD LYS 21 1HD LYS 21 6.784 -8.104 0.851 192 2HD LYS 21 2HD LYS 21 8.517 -8.306 0.685 193 1HE LYS 21 1HE LYS 21 7.844 -10.397 2.407 194 2HE LYS 21 2HE LYS 21 6.442 -10.317 1.359 195 1HZ LYS 21 1HZ LYS 21 8.285 -11.720 0.545 196 2HZ LYS 21 2HZ LYS 21 7.813 -10.575 -0.520 197 3HZ LYS 21 3HZ LYS 21 9.191 -10.377 0.334 198 H ILE 22 H ILE 22 5.553 -4.904 2.668 199 HA ILE 22 HA ILE 22 3.313 -4.026 4.289 200 HB ILE 22 HB ILE 22 5.416 -2.004 3.622 201 1HG1 ILE 22 1HG1 ILE 22 6.470 -3.920 4.908 202 2HG1 ILE 22 2HG1 ILE 22 6.600 -2.328 5.629 203 1HG2 ILE 22 1HG2 ILE 22 2.857 -1.890 4.715 204 2HG2 ILE 22 2HG2 ILE 22 3.946 -1.714 6.112 205 3HG2 ILE 22 3HG2 ILE 22 4.088 -0.604 4.727 206 1HD1 ILE 22 1HD1 ILE 22 5.322 -2.902 7.433 207 2HD1 ILE 22 2HD1 ILE 22 4.149 -3.792 6.433 208 3HD1 ILE 22 3HD1 ILE 22 5.666 -4.576 6.935 209 H GLU 23 H GLU 23 3.464 -1.365 2.831 210 HA GLU 23 HA GLU 23 3.251 -2.168 0.091 211 1HB GLU 23 1HB GLU 23 0.927 -1.520 -0.206 212 2HB GLU 23 2HB GLU 23 1.005 -2.734 1.055 213 1HG GLU 23 1HG GLU 23 0.461 -1.227 2.747 214 2HG GLU 23 2HG GLU 23 1.221 0.130 1.938 215 H GLY 24 H GLY 24 2.029 0.060 -1.013 216 1HA GLY 24 1HA GLY 24 3.589 2.320 0.091 217 2HA GLY 24 2HA GLY 24 3.523 1.952 -1.621 218 H ARG 25 H ARG 25 2.684 4.453 -0.369 219 HA ARG 25 HA ARG 25 0.546 5.098 -1.753 220 1HB ARG 25 1HB ARG 25 -0.306 3.391 0.477 221 2HB ARG 25 2HB ARG 25 -1.055 4.971 0.596 222 1HG ARG 25 1HG ARG 25 -2.095 4.779 -1.547 223 2HG ARG 25 2HG ARG 25 -1.024 3.489 -2.055 224 1HD ARG 25 1HD ARG 25 -2.269 2.484 0.281 225 2HD ARG 25 2HD ARG 25 -3.553 3.320 -0.569 226 HE ARG 25 HE ARG 25 -2.191 0.884 -1.433 227 1HH1 ARG 25 2HH2 ARG 25 -3.991 3.698 -2.541 228 2HH1 ARG 25 1HH2 ARG 25 -4.527 2.939 -4.003 229 1HH2 ARG 25 2HH1 ARG 25 -2.897 -0.117 -3.362 230 2HH2 ARG 25 1HH1 ARG 25 -3.900 0.754 -4.473 231 H LEU 26 H LEU 26 0.894 7.296 -1.694 232 HA LEU 26 HA LEU 26 2.248 8.535 0.415 233 1HB LEU 26 1HB LEU 26 2.379 10.250 -0.989 234 2HB LEU 26 2HB LEU 26 1.729 9.124 -2.164 235 HG LEU 26 HG LEU 26 -0.598 10.021 -1.378 236 1HD1 LEU 26 1HD1 LEU 26 0.454 12.671 -0.940 237 2HD1 LEU 26 2HD1 LEU 26 -0.684 11.721 0.045 238 3HD1 LEU 26 3HD1 LEU 26 1.069 11.546 0.295 239 1HD2 LEU 26 1HD2 LEU 26 1.280 10.829 -3.403 240 2HD2 LEU 26 2HD2 LEU 26 -0.496 10.741 -3.473 241 3HD2 LEU 26 3HD2 LEU 26 0.299 12.224 -2.892 242 H TYR 27 H TYR 27 1.497 10.128 1.961 243 HA TYR 27 HA TYR 27 -0.960 9.325 3.167 244 1HB TYR 27 1HB TYR 27 1.371 10.217 4.110 245 2HB TYR 27 2HB TYR 27 0.757 11.809 3.712 246 HD1 TYR 27 HD1 TYR 27 0.527 12.784 5.851 247 HD2 TYR 27 HD2 TYR 27 -1.196 8.942 5.089 248 HE1 TYR 27 HE1 TYR 27 -0.678 12.873 8.087 249 HE2 TYR 27 HE2 TYR 27 -2.395 9.044 7.328 250 HH TYR 27 HH TYR 27 -1.794 10.382 9.632 251 H ASP 28 H ASP 28 -2.676 9.830 1.725 252 HA ASP 28 HA ASP 28 -2.873 12.570 0.877 253 1HB ASP 28 1HB ASP 28 -4.912 10.343 0.469 254 2HB ASP 28 2HB ASP 28 -4.748 11.814 -0.469 255 H GLU 29 H GLU 29 -5.749 12.824 0.892 256 HA GLU 29 HA GLU 29 -6.121 13.471 3.626 257 1HB GLU 29 1HB GLU 29 -7.721 13.814 1.085 258 2HB GLU 29 2HB GLU 29 -8.512 14.066 2.628 259 1HG GLU 29 1HG GLU 29 -7.119 15.894 3.202 260 2HG GLU 29 2HG GLU 29 -5.843 15.400 2.107 261 H LYS 30 H LYS 30 -7.748 11.238 1.265 262 HA LYS 30 HA LYS 30 -9.555 10.155 3.065 263 1HB LYS 30 1HB LYS 30 -9.737 8.316 1.435 264 2HB LYS 30 2HB LYS 30 -9.796 9.894 0.676 265 1HG LYS 30 1HG LYS 30 -7.372 9.708 0.090 266 2HG LYS 30 2HG LYS 30 -7.302 8.136 0.861 267 1HD LYS 30 1HD LYS 30 -9.419 8.549 -1.242 268 2HD LYS 30 2HD LYS 30 -7.759 8.422 -1.788 269 1HE LYS 30 1HE LYS 30 -8.244 6.165 -1.771 270 2HE LYS 30 2HE LYS 30 -7.770 6.309 -0.090 271 1HZ LYS 30 1HZ LYS 30 -9.787 5.480 0.262 272 2HZ LYS 30 2HZ LYS 30 -10.337 6.997 0.005 273 3HZ LYS 30 3HZ LYS 30 -10.370 5.900 -1.205 274 H ARG 31 H ARG 31 -6.118 9.394 2.392 275 HA ARG 31 HA ARG 31 -6.094 7.020 3.828 276 1HB ARG 31 1HB ARG 31 -4.106 8.908 2.670 277 2HB ARG 31 2HB ARG 31 -3.501 8.024 4.058 278 1HG ARG 31 1HG ARG 31 -4.768 6.774 1.574 279 2HG ARG 31 2HG ARG 31 -3.054 6.802 1.936 280 1HD ARG 31 1HD ARG 31 -5.253 5.254 3.342 281 2HD ARG 31 2HD ARG 31 -3.752 4.648 2.670 282 HE ARG 31 HE ARG 31 -2.814 6.326 4.608 283 1HH1 ARG 31 2HH2 ARG 31 -5.316 3.853 4.689 284 2HH1 ARG 31 1HH2 ARG 31 -5.073 3.481 6.363 285 1HH2 ARG 31 2HH1 ARG 31 -2.493 5.835 6.816 286 2HH2 ARG 31 1HH1 ARG 31 -3.456 4.616 7.581 287 H ARG 32 H ARG 32 -5.813 10.456 4.739 288 HA ARG 32 HA ARG 32 -4.670 10.057 7.232 289 1HB ARG 32 1HB ARG 32 -5.824 12.247 5.699 290 2HB ARG 32 2HB ARG 32 -6.402 12.344 7.350 291 1HG ARG 32 1HG ARG 32 -3.939 12.031 8.084 292 2HG ARG 32 2HG ARG 32 -3.505 12.292 6.407 293 1HD ARG 32 1HD ARG 32 -3.861 14.546 6.550 294 2HD ARG 32 2HD ARG 32 -5.395 14.339 7.372 295 HE ARG 32 HE ARG 32 -3.362 13.659 9.235 296 1HH1 ARG 32 2HH2 ARG 32 -4.475 16.493 7.471 297 2HH1 ARG 32 1HH2 ARG 32 -3.933 17.614 8.675 298 1HH2 ARG 32 2HH1 ARG 32 -2.646 15.137 10.823 299 2HH2 ARG 32 1HH1 ARG 32 -2.885 16.837 10.595 300 H GLN 33 H GLN 33 -8.018 9.894 6.003 301 HA GLN 33 HA GLN 33 -9.289 10.050 8.474 302 1HB GLN 33 1HB GLN 33 -9.996 9.534 5.701 303 2HB GLN 33 2HB GLN 33 -10.851 8.411 6.740 304 1HG GLN 33 1HG GLN 33 -11.744 10.259 8.099 305 2HG GLN 33 2HG GLN 33 -10.773 11.425 7.223 306 1HE2 GLN 33 1HE2 GLN 33 -12.918 8.694 6.404 307 2HE2 GLN 33 2HE2 GLN 33 -13.889 9.523 5.234 308 H ILE 34 H ILE 34 -7.794 7.366 6.643 309 HA ILE 34 HA ILE 34 -8.878 5.341 8.331 310 HB ILE 34 HB ILE 34 -6.587 5.277 6.364 311 1HG1 ILE 34 1HG1 ILE 34 -9.437 4.374 5.908 312 2HG1 ILE 34 2HG1 ILE 34 -8.884 5.988 5.504 313 1HG2 ILE 34 1HG2 ILE 34 -6.913 2.859 6.345 314 2HG2 ILE 34 2HG2 ILE 34 -6.488 3.435 7.975 315 3HG2 ILE 34 3HG2 ILE 34 -8.173 3.006 7.594 316 1HD1 ILE 34 1HD1 ILE 34 -7.284 3.613 4.532 317 2HD1 ILE 34 2HD1 ILE 34 -8.784 4.065 3.687 318 3HD1 ILE 34 3HD1 ILE 34 -7.446 5.232 3.810 319 H LYS 35 H LYS 35 -7.764 4.093 9.933 320 HA LYS 35 HA LYS 35 -5.194 5.105 10.807 321 1HB LYS 35 1HB LYS 35 -5.818 6.008 12.790 322 2HB LYS 35 2HB LYS 35 -7.288 6.351 11.901 323 1HG LYS 35 1HG LYS 35 -8.368 4.326 12.792 324 2HG LYS 35 2HG LYS 35 -6.876 3.822 13.561 325 1HD LYS 35 1HD LYS 35 -8.265 4.848 15.267 326 2HD LYS 35 2HD LYS 35 -6.927 5.935 14.954 327 1HE LYS 35 1HE LYS 35 -8.944 6.681 13.090 328 2HE LYS 35 2HE LYS 35 -9.793 6.395 14.596 329 1HZ LYS 35 1HZ LYS 35 -8.886 8.660 14.309 330 2HZ LYS 35 2HZ LYS 35 -8.406 7.929 15.688 331 3HZ LYS 35 3HZ LYS 35 -7.376 8.050 14.427 332 HA PRO 36 HA PRO 36 -4.699 1.012 12.112 333 1HB PRO 36 1HB PRO 36 -3.468 1.109 14.550 334 2HB PRO 36 2HB PRO 36 -2.624 1.378 13.038 335 1HG PRO 36 1HG PRO 36 -3.462 3.355 15.070 336 2HG PRO 36 2HG PRO 36 -2.273 3.529 13.795 337 1HD PRO 36 1HD PRO 36 -4.935 4.596 13.817 338 2HD PRO 36 2HD PRO 36 -3.787 4.671 12.495 339 H GLY 37 H GLY 37 -6.962 0.512 12.080 340 1HA GLY 37 1HA GLY 37 -7.859 -1.033 14.062 341 2HA GLY 37 2HA GLY 37 -8.266 0.556 14.678 342 H ASP 38 H ASP 38 -8.311 -0.974 11.372 343 HA ASP 38 HA ASP 38 -11.141 -0.824 11.319 344 1HB ASP 38 1HB ASP 38 -10.614 0.557 8.955 345 2HB ASP 38 2HB ASP 38 -11.293 1.255 10.412 346 H VAL 39 H VAL 39 -11.792 -1.354 8.785 347 HA VAL 39 HA VAL 39 -9.724 -3.071 7.633 348 HB VAL 39 HB VAL 39 -12.571 -3.881 8.256 349 1HG1 VAL 39 1HG1 VAL 39 -11.606 -4.669 6.024 350 2HG1 VAL 39 2HG1 VAL 39 -10.442 -5.615 6.982 351 3HG1 VAL 39 3HG1 VAL 39 -12.186 -5.931 7.137 352 1HG2 VAL 39 1HG2 VAL 39 -11.714 -4.546 10.211 353 2HG2 VAL 39 2HG2 VAL 39 -10.790 -5.765 9.300 354 3HG2 VAL 39 3HG2 VAL 39 -10.051 -4.192 9.682 355 H ILE 40 H ILE 40 -9.962 -3.401 5.335 356 HA ILE 40 HA ILE 40 -11.916 -1.578 4.119 357 HB ILE 40 HB ILE 40 -9.085 -2.026 3.173 358 1HG1 ILE 40 1HG1 ILE 40 -9.776 0.647 4.160 359 2HG1 ILE 40 2HG1 ILE 40 -9.832 -0.575 5.415 360 1HG2 ILE 40 1HG2 ILE 40 -10.319 -1.437 1.295 361 2HG2 ILE 40 2HG2 ILE 40 -11.388 -0.346 2.209 362 3HG2 ILE 40 3HG2 ILE 40 -9.704 0.128 1.880 363 1HD1 ILE 40 1HD1 ILE 40 -7.526 0.679 4.440 364 2HD1 ILE 40 2HD1 ILE 40 -7.570 -0.792 5.441 365 3HD1 ILE 40 3HD1 ILE 40 -7.491 -0.925 3.668 366 H SER 41 H SER 41 -13.285 -2.578 2.744 367 HA SER 41 HA SER 41 -12.579 -5.282 1.993 368 1HB SER 41 1HB SER 41 -15.252 -3.932 1.491 369 2HB SER 41 2HB SER 41 -14.914 -5.647 1.619 370 HG SER 41 HG SER 41 -15.705 -3.998 3.575 371 H PHE 42 H PHE 42 -11.376 -5.330 0.110 372 HA PHE 42 HA PHE 42 -11.765 -3.329 -1.898 373 1HB PHE 42 1HB PHE 42 -10.166 -5.945 -1.656 374 2HB PHE 42 2HB PHE 42 -10.029 -4.888 -3.047 375 HD1 PHE 42 HD1 PHE 42 -9.694 -2.272 -2.206 376 HD2 PHE 42 HD2 PHE 42 -8.422 -5.775 -0.176 377 HE1 PHE 42 HE1 PHE 42 -7.924 -0.944 -1.022 378 HE2 PHE 42 HE2 PHE 42 -6.652 -4.446 1.008 379 HZ PHE 42 HZ PHE 42 -6.424 -2.046 0.571 380 H GLU 43 H GLU 43 -12.614 -3.603 -4.005 381 HA GLU 43 HA GLU 43 -14.177 -4.289 -5.372 382 1HB GLU 43 1HB GLU 43 -12.837 -6.999 -4.959 383 2HB GLU 43 2HB GLU 43 -13.812 -6.544 -6.343 384 1HG GLU 43 1HG GLU 43 -11.634 -4.616 -5.774 385 2HG GLU 43 2HG GLU 43 -11.047 -6.228 -6.131 386 H GLY 44 H GLY 44 -15.356 -3.996 -2.938 387 1HA GLY 44 1HA GLY 44 -17.387 -4.514 -2.047 388 2HA GLY 44 2HA GLY 44 -17.474 -5.954 -3.043 389 H GLY 45 H GLY 45 -15.521 -7.621 -2.433 390 1HA GLY 45 1HA GLY 45 -14.751 -7.688 0.308 391 2HA GLY 45 2HA GLY 45 -16.140 -8.717 0.022 392 H LYS 46 H LYS 46 -13.733 -8.050 -2.528 393 HA LYS 46 HA LYS 46 -13.250 -10.854 -2.796 394 1HB LYS 46 1HB LYS 46 -13.380 -8.886 -4.582 395 2HB LYS 46 2HB LYS 46 -11.660 -8.786 -4.265 396 1HG LYS 46 1HG LYS 46 -13.000 -11.452 -4.866 397 2HG LYS 46 2HG LYS 46 -12.463 -10.395 -6.156 398 1HD LYS 46 1HD LYS 46 -10.222 -10.417 -4.543 399 2HD LYS 46 2HD LYS 46 -10.853 -12.024 -4.245 400 1HE LYS 46 1HE LYS 46 -10.908 -11.279 -7.112 401 2HE LYS 46 2HE LYS 46 -9.291 -11.270 -6.437 402 1HZ LYS 46 1HZ LYS 46 -9.503 -13.440 -6.937 403 2HZ LYS 46 2HZ LYS 46 -10.141 -13.514 -5.436 404 3HZ LYS 46 3HZ LYS 46 -11.124 -13.484 -6.739 405 H LEU 47 H LEU 47 -11.510 -7.982 -1.524 406 HA LEU 47 HA LEU 47 -9.680 -9.835 -0.216 407 1HB LEU 47 1HB LEU 47 -8.903 -8.595 -2.505 408 2HB LEU 47 2HB LEU 47 -8.418 -7.404 -1.314 409 HG LEU 47 HG LEU 47 -6.553 -8.832 -1.786 410 1HD1 LEU 47 1HD1 LEU 47 -7.555 -9.783 0.896 411 2HD1 LEU 47 2HD1 LEU 47 -5.889 -9.421 0.386 412 3HD1 LEU 47 3HD1 LEU 47 -7.059 -8.098 0.608 413 1HD2 LEU 47 1HD2 LEU 47 -6.536 -11.197 -1.640 414 2HD2 LEU 47 2HD2 LEU 47 -8.152 -11.238 -0.894 415 3HD2 LEU 47 3HD2 LEU 47 -7.971 -10.760 -2.599 416 H LYS 48 H LYS 48 -9.761 -9.428 1.922 417 HA LYS 48 HA LYS 48 -10.559 -6.720 2.714 418 1HB LYS 48 1HB LYS 48 -10.705 -9.215 4.415 419 2HB LYS 48 2HB LYS 48 -11.480 -7.669 4.693 420 1HG LYS 48 1HG LYS 48 -12.067 -9.254 2.168 421 2HG LYS 48 2HG LYS 48 -12.896 -9.630 3.666 422 1HD LYS 48 1HD LYS 48 -13.231 -6.919 3.645 423 2HD LYS 48 2HD LYS 48 -13.128 -7.203 1.919 424 1HE LYS 48 1HE LYS 48 -15.427 -7.487 2.286 425 2HE LYS 48 2HE LYS 48 -14.865 -9.144 2.384 426 1HZ LYS 48 1HZ LYS 48 -15.765 -7.400 4.502 427 2HZ LYS 48 2HZ LYS 48 -15.997 -9.005 4.305 428 3HZ LYS 48 3HZ LYS 48 -14.572 -8.450 4.879 429 H VAL 49 H VAL 49 -9.371 -5.598 4.322 430 HA VAL 49 HA VAL 49 -6.946 -6.862 5.286 431 HB VAL 49 HB VAL 49 -5.566 -4.963 4.513 432 1HG1 VAL 49 1HG1 VAL 49 -6.921 -6.681 2.414 433 2HG1 VAL 49 2HG1 VAL 49 -5.489 -5.676 2.088 434 3HG1 VAL 49 3HG1 VAL 49 -5.396 -6.999 3.275 435 1HG2 VAL 49 1HG2 VAL 49 -7.464 -3.363 4.186 436 2HG2 VAL 49 2HG2 VAL 49 -6.339 -3.442 2.809 437 3HG2 VAL 49 3HG2 VAL 49 -7.914 -4.266 2.720 438 H ARG 50 H ARG 50 -5.966 -5.622 7.075 439 HA ARG 50 HA ARG 50 -7.796 -3.626 8.122 440 1HB ARG 50 1HB ARG 50 -8.391 -5.520 9.440 441 2HB ARG 50 2HB ARG 50 -6.747 -6.124 9.491 442 1HG ARG 50 1HG ARG 50 -6.129 -4.727 11.233 443 2HG ARG 50 2HG ARG 50 -7.160 -3.416 10.696 444 1HD ARG 50 1HD ARG 50 -8.544 -4.021 12.409 445 2HD ARG 50 2HD ARG 50 -9.037 -5.349 11.377 446 HE ARG 50 HE ARG 50 -6.606 -5.960 12.873 447 1HH1 ARG 50 2HH2 ARG 50 -10.120 -5.891 13.052 448 2HH1 ARG 50 1HH2 ARG 50 -10.207 -7.085 14.304 449 1HH2 ARG 50 2HH1 ARG 50 -6.720 -7.536 14.524 450 2HH2 ARG 50 1HH1 ARG 50 -8.260 -8.027 15.147 451 H VAL 51 H VAL 51 -6.720 -1.777 8.796 452 HA VAL 51 HA VAL 51 -3.983 -1.508 8.367 453 HB VAL 51 HB VAL 51 -5.749 0.189 10.136 454 1HG1 VAL 51 1HG1 VAL 51 -3.022 0.420 9.168 455 2HG1 VAL 51 2HG1 VAL 51 -4.019 1.782 8.604 456 3HG1 VAL 51 3HG1 VAL 51 -3.901 1.426 10.344 457 1HG2 VAL 51 1HG2 VAL 51 -6.032 1.506 7.913 458 2HG2 VAL 51 2HG2 VAL 51 -5.592 -0.033 7.133 459 3HG2 VAL 51 3HG2 VAL 51 -7.024 0.054 8.186 460 H LYS 52 H LYS 52 -2.184 -1.791 9.637 461 HA LYS 52 HA LYS 52 -2.713 -2.880 12.305 462 1HB LYS 52 1HB LYS 52 -0.692 -3.429 10.188 463 2HB LYS 52 2HB LYS 52 -0.137 -3.521 11.847 464 1HG LYS 52 1HG LYS 52 -2.702 -4.905 10.978 465 2HG LYS 52 2HG LYS 52 -1.143 -5.675 10.757 466 1HD LYS 52 1HD LYS 52 -2.187 -4.637 13.435 467 2HD LYS 52 2HD LYS 52 -2.281 -6.310 12.919 468 1HE LYS 52 1HE LYS 52 0.447 -5.299 12.593 469 2HE LYS 52 2HE LYS 52 -0.105 -5.041 14.236 470 1HZ LYS 52 1HZ LYS 52 -0.076 -7.589 12.780 471 2HZ LYS 52 2HZ LYS 52 0.816 -7.189 14.088 472 3HZ LYS 52 3HZ LYS 52 -0.797 -7.395 14.232 473 H ALA 53 H ALA 53 -0.672 -0.552 10.443 474 HA ALA 53 HA ALA 53 -0.707 1.288 12.587 475 1HB ALA 53 1HB ALA 53 1.291 0.956 13.623 476 2HB ALA 53 2HB ALA 53 1.119 -0.708 13.017 477 3HB ALA 53 3HB ALA 53 2.105 0.469 12.117 478 H ILE 54 H ILE 54 0.336 3.325 11.962 479 HA ILE 54 HA ILE 54 0.638 3.450 9.052 480 HB ILE 54 HB ILE 54 -1.120 4.773 10.470 481 1HG1 ILE 54 1HG1 ILE 54 0.535 5.789 8.161 482 2HG1 ILE 54 2HG1 ILE 54 -1.047 5.035 8.127 483 1HG2 ILE 54 1HG2 ILE 54 -0.482 6.602 11.624 484 2HG2 ILE 54 2HG2 ILE 54 1.053 5.712 11.772 485 3HG2 ILE 54 3HG2 ILE 54 0.868 6.966 10.522 486 1HD1 ILE 54 1HD1 ILE 54 -1.338 7.289 9.831 487 2HD1 ILE 54 2HD1 ILE 54 -0.369 7.847 8.447 488 3HD1 ILE 54 3HD1 ILE 54 -1.963 7.105 8.175 489 H ARG 55 H ARG 55 2.402 4.639 8.119 490 HA ARG 55 HA ARG 55 4.458 5.437 9.962 491 1HB ARG 55 1HB ARG 55 4.849 3.292 7.819 492 2HB ARG 55 2HB ARG 55 6.188 4.128 8.580 493 1HG ARG 55 1HG ARG 55 4.077 2.774 10.289 494 2HG ARG 55 2HG ARG 55 5.365 1.825 9.573 495 1HD ARG 55 1HD ARG 55 7.040 2.862 10.854 496 2HD ARG 55 2HD ARG 55 6.132 4.349 11.042 497 HE ARG 55 HE ARG 55 4.611 2.398 12.367 498 1HH1 ARG 55 2HH2 ARG 55 7.871 3.695 12.640 499 2HH1 ARG 55 1HH2 ARG 55 7.984 3.396 14.342 500 1HH2 ARG 55 2HH1 ARG 55 4.760 2.004 14.613 501 2HH2 ARG 55 1HH1 ARG 55 6.203 2.428 15.472 502 H VAL 56 H VAL 56 5.379 7.341 9.221 503 HA VAL 56 HA VAL 56 4.909 7.988 6.395 504 HB VAL 56 HB VAL 56 5.402 9.884 8.694 505 1HG1 VAL 56 1HG1 VAL 56 5.546 11.427 7.091 506 2HG1 VAL 56 2HG1 VAL 56 5.239 10.200 5.839 507 3HG1 VAL 56 3HG1 VAL 56 3.876 11.049 6.606 508 1HG2 VAL 56 1HG2 VAL 56 2.925 10.324 8.567 509 2HG2 VAL 56 2HG2 VAL 56 2.781 8.867 7.556 510 3HG2 VAL 56 3HG2 VAL 56 3.369 8.733 9.231 511 H TYR 57 H TYR 57 6.630 8.799 5.132 512 HA TYR 57 HA TYR 57 9.263 8.675 6.434 513 1HB TYR 57 1HB TYR 57 8.133 7.517 3.826 514 2HB TYR 57 2HB TYR 57 9.857 7.791 3.986 515 HD1 TYR 57 HD1 TYR 57 7.005 6.009 5.625 516 HD2 TYR 57 HD2 TYR 57 11.229 6.153 4.958 517 HE1 TYR 57 HE1 TYR 57 7.268 3.745 6.753 518 HE2 TYR 57 HE2 TYR 57 11.478 3.890 6.088 519 HH TYR 57 HH TYR 57 10.403 2.123 6.828 520 H ASN 58 H ASN 58 10.956 9.570 4.622 521 HA ASN 58 HA ASN 58 10.164 12.259 4.317 522 1HB ASN 58 1HB ASN 58 12.585 10.948 4.570 523 2HB ASN 58 2HB ASN 58 12.585 11.277 2.849 524 1HD2 ASN 58 1HD2 ASN 58 12.030 12.779 6.012 525 2HD2 ASN 58 2HD2 ASN 58 12.627 14.357 5.622 526 H SER 59 H SER 59 10.884 9.447 2.141 527 HA SER 59 HA SER 59 9.136 10.554 0.178 528 1HB SER 59 1HB SER 59 11.951 11.039 -0.040 529 2HB SER 59 2HB SER 59 11.554 9.837 -1.252 530 HG SER 59 HG SER 59 9.595 11.532 -1.536 531 H PHE 60 H PHE 60 9.212 8.928 -1.871 532 HA PHE 60 HA PHE 60 8.576 6.405 -0.841 533 1HB PHE 60 1HB PHE 60 8.846 7.857 -3.451 534 2HB PHE 60 2HB PHE 60 9.066 6.125 -3.595 535 HD1 PHE 60 HD1 PHE 60 6.714 8.651 -3.781 536 HD2 PHE 60 HD2 PHE 60 7.195 4.735 -2.218 537 HE1 PHE 60 HE1 PHE 60 4.224 8.336 -3.804 538 HE2 PHE 60 HE2 PHE 60 4.705 4.420 -2.241 539 HZ PHE 60 HZ PHE 60 3.250 6.224 -3.034 540 H ARG 61 H ARG 61 11.506 7.726 -2.464 541 HA ARG 61 HA ARG 61 12.753 5.351 -2.961 542 1HB ARG 61 1HB ARG 61 13.380 7.989 -3.326 543 2HB ARG 61 2HB ARG 61 14.459 7.628 -1.993 544 1HG ARG 61 1HG ARG 61 14.697 5.424 -3.783 545 2HG ARG 61 2HG ARG 61 14.684 6.852 -4.799 546 1HD ARG 61 1HD ARG 61 16.357 7.523 -2.596 547 2HD ARG 61 2HD ARG 61 16.794 5.880 -3.020 548 HE ARG 61 HE ARG 61 17.153 8.279 -4.689 549 1HH1 ARG 61 2HH2 ARG 61 17.063 4.762 -4.611 550 2HH1 ARG 61 1HH2 ARG 61 17.979 4.579 -6.070 551 1HH2 ARG 61 2HH1 ARG 61 18.361 8.038 -6.613 552 2HH2 ARG 61 1HH1 ARG 61 18.723 6.455 -7.216 553 H GLU 62 H GLU 62 12.457 7.260 0.052 554 HA GLU 62 HA GLU 62 14.439 5.798 1.428 555 1HB GLU 62 1HB GLU 62 12.439 7.920 2.066 556 2HB GLU 62 2HB GLU 62 12.916 6.911 3.417 557 1HG GLU 62 1HG GLU 62 15.349 7.361 2.806 558 2HG GLU 62 2HG GLU 62 14.785 8.494 1.594 559 H MET 63 H MET 63 10.899 5.548 0.974 560 HA MET 63 HA MET 63 10.481 3.707 3.030 561 1HB MET 63 1HB MET 63 9.010 4.951 0.811 562 2HB MET 63 2HB MET 63 8.577 3.258 0.937 563 1HG MET 63 1HG MET 63 8.235 3.670 3.469 564 2HG MET 63 2HG MET 63 8.374 5.382 3.118 565 1HE MET 63 1HE MET 63 5.259 2.462 1.518 566 2HE MET 63 2HE MET 63 6.477 2.967 0.322 567 3HE MET 63 3HE MET 63 6.987 2.176 1.833 568 H LEU 64 H LEU 64 11.003 3.318 -0.539 569 HA LEU 64 HA LEU 64 10.831 0.502 -0.452 570 1HB LEU 64 1HB LEU 64 12.176 2.247 -2.516 571 2HB LEU 64 2HB LEU 64 11.630 0.595 -2.724 572 HG LEU 64 HG LEU 64 9.779 2.918 -2.129 573 1HD1 LEU 64 1HD1 LEU 64 9.258 2.172 -4.718 574 2HD1 LEU 64 2HD1 LEU 64 10.220 3.585 -4.218 575 3HD1 LEU 64 3HD1 LEU 64 11.033 2.059 -4.640 576 1HD2 LEU 64 1HD2 LEU 64 7.984 1.474 -2.564 577 2HD2 LEU 64 2HD2 LEU 64 9.034 0.237 -3.295 578 3HD2 LEU 64 3HD2 LEU 64 9.088 0.525 -1.539 579 H GLU 65 H GLU 65 13.392 2.870 0.166 580 HA GLU 65 HA GLU 65 15.471 0.966 -0.083 581 1HB GLU 65 1HB GLU 65 15.287 3.793 1.003 582 2HB GLU 65 2HB GLU 65 16.760 2.863 1.184 583 1HG GLU 65 1HG GLU 65 15.495 2.968 -1.553 584 2HG GLU 65 2HG GLU 65 16.314 4.407 -0.977 585 H LYS 66 H LYS 66 13.574 2.420 2.620 586 HA LYS 66 HA LYS 66 15.050 0.904 4.572 587 1HB LYS 66 1HB LYS 66 13.744 3.295 4.644 588 2HB LYS 66 2HB LYS 66 12.524 2.247 5.339 589 1HG LYS 66 1HG LYS 66 13.818 1.725 7.202 590 2HG LYS 66 2HG LYS 66 15.332 1.862 6.331 591 1HD LYS 66 1HD LYS 66 15.595 3.932 7.214 592 2HD LYS 66 2HD LYS 66 14.229 4.471 6.258 593 1HE LYS 66 1HE LYS 66 13.097 4.842 8.190 594 2HE LYS 66 2HE LYS 66 13.061 3.109 8.449 595 1HZ LYS 66 1HZ LYS 66 14.936 3.212 9.761 596 2HZ LYS 66 2HZ LYS 66 15.415 4.668 9.198 597 3HZ LYS 66 3HZ LYS 66 14.131 4.563 10.201 598 H GLU 67 H GLU 67 11.530 1.091 3.668 599 HA GLU 67 HA GLU 67 10.897 -1.266 4.953 600 1HB GLU 67 1HB GLU 67 9.483 -0.069 2.531 601 2HB GLU 67 2HB GLU 67 8.777 -1.143 3.722 602 1HG GLU 67 1HG GLU 67 9.960 1.062 5.149 603 2HG GLU 67 2HG GLU 67 9.031 1.736 3.825 604 H GLY 68 H GLY 68 11.546 -0.620 1.436 605 1HA GLY 68 1HA GLY 68 13.076 -2.340 0.460 606 2HA GLY 68 2HA GLY 68 11.953 -3.530 1.090 607 H LEU 69 H LEU 69 12.829 -1.930 -1.687 608 HA LEU 69 HA LEU 69 10.539 -0.998 -2.846 609 1HB LEU 69 1HB LEU 69 12.533 -0.639 -3.969 610 2HB LEU 69 2HB LEU 69 13.012 -2.323 -3.893 611 HG LEU 69 HG LEU 69 11.027 -2.775 -5.479 612 1HD1 LEU 69 1HD1 LEU 69 11.103 -0.301 -6.844 613 2HD1 LEU 69 2HD1 LEU 69 9.719 -1.076 -6.037 614 3HD1 LEU 69 3HD1 LEU 69 10.751 0.062 -5.138 615 1HD2 LEU 69 1HD2 LEU 69 13.692 -1.618 -6.069 616 2HD2 LEU 69 2HD2 LEU 69 12.970 -3.168 -6.561 617 3HD2 LEU 69 3HD2 LEU 69 12.535 -1.671 -7.420 618 H GLU 70 H GLU 70 11.832 -4.388 -3.122 619 HA GLU 70 HA GLU 70 9.463 -5.292 -4.310 620 1HB GLU 70 1HB GLU 70 12.032 -6.438 -3.393 621 2HB GLU 70 2HB GLU 70 10.690 -7.556 -3.250 622 1HG GLU 70 1HG GLU 70 10.086 -7.132 -5.645 623 2HG GLU 70 2HG GLU 70 11.434 -6.021 -5.787 624 H ASN 71 H ASN 71 10.385 -4.609 -1.025 625 HA ASN 71 HA ASN 71 8.475 -6.446 0.068 626 1HB ASN 71 1HB ASN 71 9.963 -4.214 1.534 627 2HB ASN 71 2HB ASN 71 9.272 -5.662 2.238 628 1HD2 ASN 71 1HD2 ASN 71 11.744 -5.245 2.903 629 2HD2 ASN 71 2HD2 ASN 71 12.876 -6.262 2.076 630 H VAL 72 H VAL 72 8.014 -3.831 -1.723 631 HA VAL 72 HA VAL 72 5.801 -2.859 -0.080 632 HB VAL 72 HB VAL 72 7.889 -1.171 -1.465 633 1HG1 VAL 72 1HG1 VAL 72 6.566 0.700 -1.327 634 2HG1 VAL 72 2HG1 VAL 72 5.317 -0.530 -1.640 635 3HG1 VAL 72 3HG1 VAL 72 5.596 0.054 0.018 636 1HG2 VAL 72 1HG2 VAL 72 8.818 -0.956 0.549 637 2HG2 VAL 72 2HG2 VAL 72 7.277 -0.371 1.223 638 3HG2 VAL 72 3HG2 VAL 72 7.635 -2.115 1.204 639 H LEU 73 H LEU 73 7.448 -2.796 -3.313 640 HA LEU 73 HA LEU 73 4.768 -3.068 -4.488 641 1HB LEU 73 1HB LEU 73 5.885 -0.822 -4.781 642 2HB LEU 73 2HB LEU 73 7.107 -1.632 -5.740 643 HG LEU 73 HG LEU 73 4.944 -2.502 -7.062 644 1HD1 LEU 73 1HD1 LEU 73 3.630 -0.091 -7.125 645 2HD1 LEU 73 2HD1 LEU 73 3.076 -1.556 -6.279 646 3HD1 LEU 73 3HD1 LEU 73 3.967 -0.299 -5.389 647 1HD2 LEU 73 1HD2 LEU 73 6.948 -0.516 -7.435 648 2HD2 LEU 73 2HD2 LEU 73 6.043 -1.434 -8.662 649 3HD2 LEU 73 3HD2 LEU 73 5.414 0.123 -8.072 650 HA PRO 74 HA PRO 74 6.941 -6.749 -5.672 651 1HB PRO 74 1HB PRO 74 4.745 -8.370 -5.800 652 2HB PRO 74 2HB PRO 74 5.697 -8.159 -4.344 653 1HG PRO 74 1HG PRO 74 3.038 -7.044 -4.997 654 2HG PRO 74 2HG PRO 74 3.807 -7.203 -3.430 655 1HD PRO 74 1HD PRO 74 3.544 -4.802 -4.977 656 2HD PRO 74 2HD PRO 74 4.413 -4.986 -3.466 657 H GLY 75 H GLY 75 7.761 -6.741 -7.661 658 1HA GLY 75 1HA GLY 75 7.146 -7.591 -9.888 659 2HA GLY 75 2HA GLY 75 5.745 -6.541 -9.820 660 H VAL 76 H VAL 76 7.286 -4.354 -8.388 661 HA VAL 76 HA VAL 76 7.861 -2.706 -10.415 662 HB VAL 76 HB VAL 76 7.813 -2.248 -7.949 663 1HG1 VAL 76 1HG1 VAL 76 10.704 -2.411 -7.607 664 2HG1 VAL 76 2HG1 VAL 76 9.394 -2.981 -6.546 665 3HG1 VAL 76 3HG1 VAL 76 9.973 -4.012 -7.876 666 1HG2 VAL 76 1HG2 VAL 76 9.563 -0.406 -8.095 667 2HG2 VAL 76 2HG2 VAL 76 9.980 -1.059 -9.698 668 3HG2 VAL 76 3HG2 VAL 76 8.342 -0.436 -9.390 669 H LYS 77 H LYS 77 9.787 -2.006 -11.553 670 HA LYS 77 HA LYS 77 11.472 -4.264 -12.194 671 1HB LYS 77 1HB LYS 77 11.080 -1.520 -13.404 672 2HB LYS 77 2HB LYS 77 12.338 -2.613 -13.943 673 1HG LYS 77 1HG LYS 77 10.195 -4.324 -13.961 674 2HG LYS 77 2HG LYS 77 9.371 -2.812 -14.287 675 1HD LYS 77 1HD LYS 77 11.877 -3.554 -15.835 676 2HD LYS 77 2HD LYS 77 10.322 -4.213 -16.304 677 1HE LYS 77 1HE LYS 77 9.391 -1.951 -16.601 678 2HE LYS 77 2HE LYS 77 10.856 -1.223 -15.972 679 1HZ LYS 77 1HZ LYS 77 10.427 -2.527 -18.528 680 2HZ LYS 77 2HZ LYS 77 11.225 -1.143 -18.192 681 3HZ LYS 77 3HZ LYS 77 11.924 -2.586 -17.879 682 H SER 78 H SER 78 11.665 -1.034 -10.642 683 HA SER 78 HA SER 78 13.929 -1.862 -9.201 684 1HB SER 78 1HB SER 78 14.442 0.414 -11.157 685 2HB SER 78 2HB SER 78 15.600 -0.342 -10.080 686 HG SER 78 HG SER 78 15.165 -1.001 -12.595 687 H ILE 79 H ILE 79 14.760 0.074 -7.795 688 HA ILE 79 HA ILE 79 12.619 1.213 -6.493 689 HB ILE 79 HB ILE 79 15.489 2.151 -6.585 690 1HG1 ILE 79 1HG1 ILE 79 14.104 -0.008 -4.988 691 2HG1 ILE 79 2HG1 ILE 79 15.518 -0.151 -6.014 692 1HG2 ILE 79 1HG2 ILE 79 13.769 2.470 -4.173 693 2HG2 ILE 79 2HG2 ILE 79 15.109 3.475 -4.775 694 3HG2 ILE 79 3HG2 ILE 79 13.504 3.584 -5.536 695 1HD1 ILE 79 1HD1 ILE 79 16.862 1.187 -4.470 696 2HD1 ILE 79 2HD1 ILE 79 15.427 1.553 -3.483 697 3HD1 ILE 79 3HD1 ILE 79 16.059 -0.109 -3.551 698 H GLU 80 H GLU 80 14.590 2.426 -9.232 699 HA GLU 80 HA GLU 80 13.592 5.020 -9.147 700 1HB GLU 80 1HB GLU 80 15.264 3.387 -10.902 701 2HB GLU 80 2HB GLU 80 14.209 4.421 -11.847 702 1HG GLU 80 1HG GLU 80 15.266 5.950 -9.615 703 2HG GLU 80 2HG GLU 80 16.596 5.159 -10.439 704 H GLU 81 H GLU 81 12.605 2.096 -11.054 705 HA GLU 81 HA GLU 81 10.583 3.364 -12.447 706 1HB GLU 81 1HB GLU 81 11.230 0.505 -11.744 707 2HB GLU 81 2HB GLU 81 9.668 0.850 -12.459 708 1HG GLU 81 1HG GLU 81 12.041 2.129 -13.779 709 2HG GLU 81 2HG GLU 81 11.916 0.388 -13.933 710 H GLY 82 H GLY 82 10.690 1.862 -9.199 711 1HA GLY 82 1HA GLY 82 7.994 1.606 -8.650 712 2HA GLY 82 2HA GLY 82 9.251 1.943 -7.476 713 H ILE 83 H ILE 83 10.162 4.492 -8.235 714 HA ILE 83 HA ILE 83 8.216 6.121 -7.083 715 HB ILE 83 HB ILE 83 10.838 6.529 -8.445 716 1HG1 ILE 83 1HG1 ILE 83 10.262 7.771 -5.840 717 2HG1 ILE 83 2HG1 ILE 83 10.066 6.029 -5.848 718 1HG2 ILE 83 1HG2 ILE 83 9.031 8.815 -7.610 719 2HG2 ILE 83 2HG2 ILE 83 10.703 8.935 -8.210 720 3HG2 ILE 83 3HG2 ILE 83 9.410 8.358 -9.289 721 1HD1 ILE 83 1HD1 ILE 83 12.349 6.221 -5.378 722 2HD1 ILE 83 2HD1 ILE 83 12.384 6.058 -7.150 723 3HD1 ILE 83 3HD1 ILE 83 12.543 7.665 -6.401 724 H GLN 84 H GLN 84 9.048 5.375 -10.489 725 HA GLN 84 HA GLN 84 7.546 7.400 -11.623 726 1HB GLN 84 1HB GLN 84 8.702 4.790 -12.523 727 2HB GLN 84 2HB GLN 84 7.429 5.454 -13.529 728 1HG GLN 84 1HG GLN 84 10.009 6.869 -12.711 729 2HG GLN 84 2HG GLN 84 9.618 6.267 -14.310 730 1HE2 GLN 84 1HE2 GLN 84 10.146 8.986 -13.032 731 2HE2 GLN 84 2HE2 GLN 84 8.883 10.014 -13.622 732 H VAL 85 H VAL 85 6.680 4.131 -10.434 733 HA VAL 85 HA VAL 85 4.114 4.057 -11.579 734 HB VAL 85 HB VAL 85 5.639 2.605 -9.482 735 1HG1 VAL 85 1HG1 VAL 85 2.665 2.850 -9.508 736 2HG1 VAL 85 2HG1 VAL 85 3.352 1.227 -9.261 737 3HG1 VAL 85 3HG1 VAL 85 3.781 2.554 -8.154 738 1HG2 VAL 85 1HG2 VAL 85 4.305 0.766 -11.013 739 2HG2 VAL 85 2HG2 VAL 85 4.488 2.119 -12.155 740 3HG2 VAL 85 3HG2 VAL 85 5.923 1.413 -11.374 741 H TYR 86 H TYR 86 5.434 5.340 -8.490 742 HA TYR 86 HA TYR 86 2.897 5.906 -7.371 743 1HB TYR 86 1HB TYR 86 5.634 7.250 -6.949 744 2HB TYR 86 2HB TYR 86 4.349 7.145 -5.762 745 HD1 TYR 86 HD1 TYR 86 7.235 6.283 -5.351 746 HD2 TYR 86 HD2 TYR 86 3.771 4.109 -6.607 747 HE1 TYR 86 HE1 TYR 86 8.246 4.134 -4.442 748 HE2 TYR 86 HE2 TYR 86 4.793 1.967 -5.695 749 HH TYR 86 HH TYR 86 6.434 1.082 -4.603 750 H ARG 87 H ARG 87 5.104 7.619 -9.582 751 HA ARG 87 HA ARG 87 3.867 10.117 -9.181 752 1HB ARG 87 1HB ARG 87 6.239 9.367 -10.261 753 2HB ARG 87 2HB ARG 87 5.321 9.483 -11.749 754 1HG ARG 87 1HG ARG 87 4.643 11.810 -10.244 755 2HG ARG 87 2HG ARG 87 6.377 11.627 -10.075 756 1HD ARG 87 1HD ARG 87 5.568 11.113 -12.843 757 2HD ARG 87 2HD ARG 87 4.975 12.675 -12.316 758 HE ARG 87 HE ARG 87 7.778 12.180 -11.594 759 1HH1 ARG 87 2HH2 ARG 87 5.598 13.418 -14.064 760 2HH1 ARG 87 1HH2 ARG 87 6.803 14.412 -14.811 761 1HH2 ARG 87 2HH1 ARG 87 9.369 13.492 -12.579 762 2HH2 ARG 87 1HH1 ARG 87 8.963 14.455 -13.961 763 H ARG 88 H ARG 88 3.413 7.316 -11.345 764 HA ARG 88 HA ARG 88 1.906 8.587 -13.278 765 1HB ARG 88 1HB ARG 88 1.832 5.693 -12.289 766 2HB ARG 88 2HB ARG 88 1.041 6.237 -13.755 767 1HG ARG 88 1HG ARG 88 3.798 7.173 -13.747 768 2HG ARG 88 2HG ARG 88 3.772 5.449 -13.431 769 1HD ARG 88 1HD ARG 88 1.983 5.485 -15.462 770 2HD ARG 88 2HD ARG 88 2.856 6.946 -15.881 771 HE ARG 88 HE ARG 88 4.782 5.661 -16.364 772 1HH1 ARG 88 2HH2 ARG 88 2.322 3.659 -14.839 773 2HH1 ARG 88 1HH2 ARG 88 3.130 2.170 -15.199 774 1HH2 ARG 88 2HH1 ARG 88 5.847 3.696 -16.839 775 2HH2 ARG 88 1HH1 ARG 88 5.148 2.191 -16.344 776 H PHE 89 H PHE 89 1.005 6.904 -10.204 777 HA PHE 89 HA PHE 89 -1.787 7.519 -10.642 778 1HB PHE 89 1HB PHE 89 -0.092 6.126 -8.494 779 2HB PHE 89 2HB PHE 89 -1.816 6.358 -8.280 780 HD1 PHE 89 HD1 PHE 89 0.362 3.919 -8.952 781 HD2 PHE 89 HD2 PHE 89 -3.022 5.710 -10.781 782 HE1 PHE 89 HE1 PHE 89 -0.080 1.795 -10.215 783 HE2 PHE 89 HE2 PHE 89 -3.465 3.587 -12.043 784 HZ PHE 89 HZ PHE 89 -1.988 1.654 -11.745 785 H TYR 90 H TYR 90 0.764 8.204 -8.140 786 HA TYR 90 HA TYR 90 -0.920 10.343 -7.102 787 1HB TYR 90 1HB TYR 90 1.880 9.639 -6.155 788 2HB TYR 90 2HB TYR 90 0.484 10.057 -5.182 789 HD1 TYR 90 HD1 TYR 90 2.564 7.656 -5.038 790 HD2 TYR 90 HD2 TYR 90 -1.471 8.040 -6.409 791 HE1 TYR 90 HE1 TYR 90 2.158 5.192 -4.556 792 HE2 TYR 90 HE2 TYR 90 -1.863 5.576 -5.922 793 HH TYR 90 HH TYR 90 -1.052 3.763 -5.062 794 H ASP 91 H ASP 91 -0.233 12.533 -6.958 795 HA ASP 91 HA ASP 91 1.349 13.323 -9.149 796 1HB ASP 91 1HB ASP 91 0.686 15.200 -6.881 797 2HB ASP 91 2HB ASP 91 0.674 15.513 -8.605 798 H GLU 92 H GLU 92 3.410 14.545 -9.010 799 HA GLU 92 HA GLU 92 5.085 13.525 -6.971 800 1HB GLU 92 1HB GLU 92 5.706 13.974 -9.423 801 2HB GLU 92 2HB GLU 92 5.768 15.677 -9.014 802 1HG GLU 92 1HG GLU 92 7.263 14.083 -7.057 803 2HG GLU 92 2HG GLU 92 7.838 13.769 -8.683 804 H GLU 93 H GLU 93 3.327 16.544 -7.595 805 HA GLU 93 HA GLU 93 4.827 18.091 -5.787 806 1HB GLU 93 1HB GLU 93 2.787 18.531 -7.691 807 2HB GLU 93 2HB GLU 93 2.068 19.003 -6.164 808 1HG GLU 93 1HG GLU 93 3.144 20.991 -6.497 809 2HG GLU 93 2HG GLU 93 4.567 20.145 -5.921 810 H LYS 94 H LYS 94 1.602 16.431 -5.610 811 HA LYS 94 HA LYS 94 1.023 17.169 -2.997 812 1HB LYS 94 1HB LYS 94 -0.033 15.404 -5.030 813 2HB LYS 94 2HB LYS 94 -0.101 14.619 -3.465 814 1HG LYS 94 1HG LYS 94 -0.902 17.471 -3.367 815 2HG LYS 94 2HG LYS 94 -1.925 16.507 -4.413 816 1HD LYS 94 1HD LYS 94 -2.085 14.809 -2.470 817 2HD LYS 94 2HD LYS 94 -1.331 16.028 -1.462 818 1HE LYS 94 1HE LYS 94 -3.836 16.614 -3.097 819 2HE LYS 94 2HE LYS 94 -3.921 15.956 -1.475 820 1HZ LYS 94 1HZ LYS 94 -2.183 18.040 -1.301 821 2HZ LYS 94 2HZ LYS 94 -3.365 18.596 -2.282 822 3HZ LYS 94 3HZ LYS 94 -3.735 18.030 -0.795 823 H GLU 95 H GLU 95 2.853 14.359 -4.331 824 HA GLU 95 HA GLU 95 3.182 13.099 -1.883 825 1HB GLU 95 1HB GLU 95 3.614 12.267 -4.333 826 2HB GLU 95 2HB GLU 95 5.216 12.947 -4.127 827 1HG GLU 95 1HG GLU 95 4.247 11.222 -1.880 828 2HG GLU 95 2HG GLU 95 4.543 10.394 -3.396 829 H LYS 96 H LYS 96 5.383 15.317 -3.739 830 HA LYS 96 HA LYS 96 7.361 15.359 -1.741 831 1HB LYS 96 1HB LYS 96 6.746 16.940 -4.211 832 2HB LYS 96 2HB LYS 96 7.919 17.580 -3.077 833 1HG LYS 96 1HG LYS 96 8.543 14.810 -3.347 834 2HG LYS 96 2HG LYS 96 8.211 15.378 -4.971 835 1HD LYS 96 1HD LYS 96 10.331 16.197 -4.990 836 2HD LYS 96 2HD LYS 96 9.761 17.449 -3.905 837 1HE LYS 96 1HE LYS 96 10.886 16.572 -2.122 838 2HE LYS 96 2HE LYS 96 10.332 14.945 -2.463 839 1HZ LYS 96 1HZ LYS 96 12.697 16.303 -3.450 840 2HZ LYS 96 2HZ LYS 96 12.533 14.774 -2.901 841 3HZ LYS 96 3HZ LYS 96 12.016 15.163 -4.400 842 H LYS 97 H LYS 97 4.200 16.735 -1.933 843 HA LYS 97 HA LYS 97 4.731 19.066 -0.399 844 1HB LYS 97 1HB LYS 97 2.442 17.758 -1.662 845 2HB LYS 97 2HB LYS 97 2.033 18.444 -0.103 846 1HG LYS 97 1HG LYS 97 3.541 20.491 -1.122 847 2HG LYS 97 2HG LYS 97 2.911 19.821 -2.613 848 1HD LYS 97 1HD LYS 97 0.979 20.249 -0.335 849 2HD LYS 97 2HD LYS 97 1.545 21.661 -1.205 850 1HE LYS 97 1HE LYS 97 0.797 20.650 -3.360 851 2HE LYS 97 2HE LYS 97 0.264 19.212 -2.512 852 1HZ LYS 97 1HZ LYS 97 -1.619 20.237 -2.091 853 2HZ LYS 97 2HZ LYS 97 -0.857 21.421 -1.264 854 3HZ LYS 97 3HZ LYS 97 -1.117 21.582 -2.868 855 H TYR 98 H TYR 98 3.106 15.908 0.392 856 HA TYR 98 HA TYR 98 3.622 16.482 3.211 857 1HB TYR 98 1HB TYR 98 1.971 14.430 1.612 858 2HB TYR 98 2HB TYR 98 2.042 14.420 3.363 859 HD1 TYR 98 HD1 TYR 98 0.516 15.914 0.440 860 HD2 TYR 98 HD2 TYR 98 1.108 16.388 4.650 861 HE1 TYR 98 HE1 TYR 98 -1.421 17.558 0.534 862 HE2 TYR 98 HE2 TYR 98 -0.831 18.031 4.731 863 HH TYR 98 HH TYR 98 -2.196 19.260 3.532 864 H GLY 99 H GLY 99 3.905 13.752 0.823 865 1HA GLY 99 1HA GLY 99 6.236 12.828 0.775 866 2HA GLY 99 2HA GLY 99 6.076 12.667 2.513 867 H VAL 100 H VAL 100 6.545 10.313 1.910 868 HA VAL 100 HA VAL 100 4.111 8.982 0.961 869 HB VAL 100 HB VAL 100 6.790 7.673 1.294 870 1HG1 VAL 100 1HG1 VAL 100 4.646 7.230 -0.802 871 2HG1 VAL 100 2HG1 VAL 100 6.007 6.164 -0.375 872 3HG1 VAL 100 3HG1 VAL 100 4.662 6.393 0.769 873 1HG2 VAL 100 1HG2 VAL 100 5.952 9.558 -0.915 874 2HG2 VAL 100 2HG2 VAL 100 7.464 9.535 0.023 875 3HG2 VAL 100 3HG2 VAL 100 7.146 8.266 -1.184 876 H VAL 101 H VAL 101 3.317 7.113 2.144 877 HA VAL 101 HA VAL 101 4.357 6.885 4.865 878 HB VAL 101 HB VAL 101 2.608 8.440 5.149 879 1HG1 VAL 101 1HG1 VAL 101 0.672 6.674 3.635 880 2HG1 VAL 101 2HG1 VAL 101 0.459 8.361 4.159 881 3HG1 VAL 101 3HG1 VAL 101 1.598 7.974 2.848 882 1HG2 VAL 101 1HG2 VAL 101 2.339 7.018 6.927 883 2HG2 VAL 101 2HG2 VAL 101 0.734 6.851 6.174 884 3HG2 VAL 101 3HG2 VAL 101 1.981 5.612 5.896 885 H ALA 102 H ALA 102 5.048 4.804 4.910 886 HA ALA 102 HA ALA 102 3.794 2.831 3.256 887 1HB ALA 102 1HB ALA 102 6.296 3.228 4.485 888 2HB ALA 102 2HB ALA 102 5.597 1.811 5.304 889 3HB ALA 102 3HB ALA 102 5.781 1.814 3.533 890 H ILE 103 H ILE 103 1.674 2.426 3.869 891 HA ILE 103 HA ILE 103 1.078 2.091 6.672 892 HB ILE 103 HB ILE 103 -0.533 2.082 4.134 893 1HG1 ILE 103 1HG1 ILE 103 -1.429 3.832 6.249 894 2HG1 ILE 103 2HG1 ILE 103 0.281 4.084 5.960 895 1HG2 ILE 103 1HG2 ILE 103 -2.549 1.721 5.476 896 2HG2 ILE 103 2HG2 ILE 103 -1.456 0.318 5.548 897 3HG2 ILE 103 3HG2 ILE 103 -1.545 1.449 6.920 898 1HD1 ILE 103 1HD1 ILE 103 -1.017 5.539 4.474 899 2HD1 ILE 103 2HD1 ILE 103 -0.187 4.303 3.498 900 3HD1 ILE 103 3HD1 ILE 103 -1.925 4.141 3.850 901 H GLU 104 H GLU 104 0.827 0.175 7.758 902 HA GLU 104 HA GLU 104 1.670 -2.152 6.290 903 1HB GLU 104 1HB GLU 104 2.690 -1.617 8.496 904 2HB GLU 104 2HB GLU 104 1.121 -1.753 9.265 905 1HG GLU 104 1HG GLU 104 0.964 -4.132 8.643 906 2HG GLU 104 2HG GLU 104 2.442 -4.024 7.708 907 H ILE 105 H ILE 105 0.080 -3.212 5.169 908 HA ILE 105 HA ILE 105 -2.571 -3.332 6.395 909 HB ILE 105 HB ILE 105 -3.125 -4.246 4.047 910 1HG1 ILE 105 1HG1 ILE 105 -1.661 -3.578 2.251 911 2HG1 ILE 105 2HG1 ILE 105 -0.541 -2.821 3.365 912 1HG2 ILE 105 1HG2 ILE 105 -2.289 -1.352 4.121 913 2HG2 ILE 105 2HG2 ILE 105 -3.699 -2.097 3.331 914 3HG2 ILE 105 3HG2 ILE 105 -3.640 -1.963 5.105 915 1HD1 ILE 105 1HD1 ILE 105 -1.226 -5.743 3.739 916 2HD1 ILE 105 2HD1 ILE 105 -0.062 -5.266 2.479 917 3HD1 ILE 105 3HD1 ILE 105 0.260 -4.871 4.185 918 H GLU 106 H GLU 106 -3.717 -5.395 6.484 919 HA GLU 106 HA GLU 106 -2.030 -7.714 6.183 920 1HB GLU 106 1HB GLU 106 -1.947 -6.686 8.618 921 2HB GLU 106 2HB GLU 106 -3.538 -7.401 8.788 922 1HG GLU 106 1HG GLU 106 -2.299 -9.227 9.467 923 2HG GLU 106 2HG GLU 106 -2.275 -9.550 7.745 924 HA PRO 107 HA PRO 107 -6.114 -8.670 4.734 925 1HB PRO 107 1HB PRO 107 -5.357 -10.529 2.880 926 2HB PRO 107 2HB PRO 107 -5.483 -8.818 2.525 927 1HG PRO 107 1HG PRO 107 -3.054 -10.451 2.934 928 2HG PRO 107 2HG PRO 107 -3.204 -8.879 2.176 929 1HD PRO 107 1HD PRO 107 -2.210 -9.425 4.810 930 2HD PRO 107 2HD PRO 107 -2.469 -7.847 4.094 931 H LEU 108 H LEU 108 -7.139 -9.562 6.453 932 HA LEU 108 HA LEU 108 -6.169 -12.169 7.274 933 1HB LEU 108 1HB LEU 108 -8.043 -11.847 8.994 934 2HB LEU 108 2HB LEU 108 -6.592 -10.871 9.115 935 HG LEU 108 HG LEU 108 -8.757 -9.629 7.540 936 1HD1 LEU 108 1HD1 LEU 108 -9.807 -10.975 9.559 937 2HD1 LEU 108 2HD1 LEU 108 -9.215 -9.580 10.493 938 3HD1 LEU 108 3HD1 LEU 108 -10.355 -9.332 9.148 939 1HD2 LEU 108 1HD2 LEU 108 -7.943 -7.990 9.672 940 2HD2 LEU 108 2HD2 LEU 108 -6.485 -8.865 9.147 941 3HD2 LEU 108 3HD2 LEU 108 -7.422 -7.911 7.972 942 H GLU 109 H GLU 109 -6.705 -13.105 5.098 943 HA GLU 109 HA GLU 109 -9.552 -13.744 5.037 944 1HB GLU 109 1HB GLU 109 -8.713 -12.305 3.113 945 2HB GLU 109 2HB GLU 109 -7.680 -13.637 2.633 946 1HG GLU 109 1HG GLU 109 -9.430 -14.454 1.442 947 2HG GLU 109 2HG GLU 109 -10.201 -14.845 2.967 948 H TYR 110 H TYR 110 -6.724 -14.929 6.068 949 HA TYR 110 HA TYR 110 -5.865 -16.946 6.389 950 1HB TYR 110 1HB TYR 110 -8.513 -17.181 6.787 951 2HB TYR 110 2HB TYR 110 -8.488 -18.075 5.280 952 HD1 TYR 110 HD1 TYR 110 -5.946 -18.112 8.022 953 HD2 TYR 110 HD2 TYR 110 -8.990 -20.275 5.935 954 HE1 TYR 110 HE1 TYR 110 -5.317 -20.228 9.283 955 HE2 TYR 110 HE2 TYR 110 -8.351 -22.383 7.203 956 HH TYR 110 HH TYR 110 -5.520 -22.457 9.267 Start of MODEL 14 1 HA MET 1 HA MET 1 -17.312 2.189 10.022 2 1HB MET 1 1HB MET 1 -15.540 1.649 12.447 3 2HB MET 1 2HB MET 1 -14.925 2.601 11.110 4 1HG MET 1 1HG MET 1 -16.068 4.434 11.815 5 2HG MET 1 2HG MET 1 -17.584 3.555 11.791 6 1HE MET 1 1HE MET 1 -16.233 5.387 15.353 7 2HE MET 1 2HE MET 1 -15.011 5.289 14.062 8 3HE MET 1 3HE MET 1 -16.656 5.857 13.689 9 H GLU 2 H GLU 2 -16.814 1.253 8.078 10 HA GLU 2 HA GLU 2 -14.492 -0.492 8.083 11 1HB GLU 2 1HB GLU 2 -17.040 -1.508 7.785 12 2HB GLU 2 2HB GLU 2 -16.602 -1.211 6.114 13 1HG GLU 2 1HG GLU 2 -15.186 -2.986 6.089 14 2HG GLU 2 2HG GLU 2 -14.346 -2.413 7.516 15 H TRP 3 H TRP 3 -13.439 -0.635 5.890 16 HA TRP 3 HA TRP 3 -14.059 1.762 4.300 17 1HB TRP 3 1HB TRP 3 -11.311 0.586 4.720 18 2HB TRP 3 2HB TRP 3 -11.725 2.072 3.889 19 HD1 TRP 3 HD1 TRP 3 -10.566 0.933 7.202 20 HE1 TRP 3 HE1 TRP 3 -10.759 2.773 9.084 21 HE3 TRP 3 HE3 TRP 3 -13.600 4.055 4.574 22 HZ2 TRP 3 HZ2 TRP 3 -12.127 5.271 9.258 23 HZ3 TRP 3 HZ3 TRP 3 -14.319 6.173 5.673 24 HH2 TRP 3 HH2 TRP 3 -13.631 6.801 7.933 25 H GLU 4 H GLU 4 -13.666 1.505 1.970 26 HA GLU 4 HA GLU 4 -13.262 -1.235 1.134 27 1HB GLU 4 1HB GLU 4 -15.828 -0.285 1.337 28 2HB GLU 4 2HB GLU 4 -15.451 0.192 -0.307 29 1HG GLU 4 1HG GLU 4 -14.441 -2.440 -0.101 30 2HG GLU 4 2HG GLU 4 -15.954 -2.491 0.781 31 H MET 5 H MET 5 -12.948 -1.339 -1.344 32 HA MET 5 HA MET 5 -12.319 1.132 -2.597 33 1HB MET 5 1HB MET 5 -10.239 -0.496 -1.246 34 2HB MET 5 2HB MET 5 -9.878 -0.259 -2.945 35 1HG MET 5 1HG MET 5 -9.964 2.163 -2.718 36 2HG MET 5 2HG MET 5 -10.651 2.054 -1.110 37 1HE MET 5 1HE MET 5 -8.553 3.126 0.647 38 2HE MET 5 2HE MET 5 -9.710 1.783 0.813 39 3HE MET 5 3HE MET 5 -8.002 1.546 1.255 40 H GLY 6 H GLY 6 -10.655 0.195 -4.677 41 1HA GLY 6 1HA GLY 6 -11.809 -2.268 -5.707 42 2HA GLY 6 2HA GLY 6 -12.266 -0.802 -6.550 43 H LEU 7 H LEU 7 -10.421 -3.251 -7.169 44 HA LEU 7 HA LEU 7 -8.546 -1.766 -8.680 45 1HB LEU 7 1HB LEU 7 -6.503 -2.613 -7.646 46 2HB LEU 7 2HB LEU 7 -7.385 -1.513 -6.606 47 HG LEU 7 HG LEU 7 -7.312 -4.532 -6.359 48 1HD1 LEU 7 1HD1 LEU 7 -5.444 -2.621 -5.538 49 2HD1 LEU 7 2HD1 LEU 7 -6.366 -3.027 -4.071 50 3HD1 LEU 7 3HD1 LEU 7 -5.565 -4.315 -5.004 51 1HD2 LEU 7 1HD2 LEU 7 -8.436 -3.945 -4.096 52 2HD2 LEU 7 2HD2 LEU 7 -8.917 -2.440 -4.916 53 3HD2 LEU 7 3HD2 LEU 7 -9.429 -4.013 -5.572 54 H GLN 8 H GLN 8 -7.006 -3.378 -9.853 55 HA GLN 8 HA GLN 8 -8.649 -5.321 -10.980 56 1HB GLN 8 1HB GLN 8 -6.416 -4.027 -11.793 57 2HB GLN 8 2HB GLN 8 -5.670 -5.529 -11.285 58 1HG GLN 8 1HG GLN 8 -6.782 -6.804 -12.906 59 2HG GLN 8 2HG GLN 8 -8.153 -5.716 -12.982 60 1HE2 GLN 8 1HE2 GLN 8 -8.310 -4.490 -14.691 61 2HE2 GLN 8 2HE2 GLN 8 -7.032 -3.981 -15.742 62 H GLU 9 H GLU 9 -8.112 -7.716 -11.135 63 HA GLU 9 HA GLU 9 -8.130 -8.827 -8.629 64 1HB GLU 9 1HB GLU 9 -9.027 -9.974 -10.597 65 2HB GLU 9 2HB GLU 9 -7.437 -10.063 -11.328 66 1HG GLU 9 1HG GLU 9 -7.246 -11.205 -8.685 67 2HG GLU 9 2HG GLU 9 -8.655 -11.900 -9.462 68 H GLU 10 H GLU 10 -5.420 -8.464 -10.999 69 HA GLU 10 HA GLU 10 -3.546 -9.906 -9.637 70 1HB GLU 10 1HB GLU 10 -3.599 -7.905 -11.770 71 2HB GLU 10 2HB GLU 10 -2.161 -7.722 -10.786 72 1HG GLU 10 1HG GLU 10 -1.814 -10.264 -11.027 73 2HG GLU 10 2HG GLU 10 -3.095 -10.245 -12.223 74 H PHE 11 H PHE 11 -4.259 -6.349 -9.412 75 HA PHE 11 HA PHE 11 -2.353 -5.790 -7.476 76 1HB PHE 11 1HB PHE 11 -4.749 -4.630 -8.765 77 2HB PHE 11 2HB PHE 11 -4.674 -4.149 -7.081 78 HD1 PHE 11 HD1 PHE 11 -2.476 -4.346 -10.093 79 HD2 PHE 11 HD2 PHE 11 -3.460 -2.264 -6.529 80 HE1 PHE 11 HE1 PHE 11 -0.813 -2.559 -10.678 81 HE2 PHE 11 HE2 PHE 11 -1.797 -0.477 -7.114 82 HZ PHE 11 HZ PHE 11 -0.493 -0.646 -9.182 83 H LEU 12 H LEU 12 -5.648 -7.151 -7.241 84 HA LEU 12 HA LEU 12 -5.992 -6.697 -4.495 85 1HB LEU 12 1HB LEU 12 -7.288 -8.206 -6.648 86 2HB LEU 12 2HB LEU 12 -7.450 -8.953 -5.072 87 HG LEU 12 HG LEU 12 -8.036 -6.036 -5.243 88 1HD1 LEU 12 1HD1 LEU 12 -9.056 -7.267 -7.293 89 2HD1 LEU 12 2HD1 LEU 12 -10.183 -7.956 -6.100 90 3HD1 LEU 12 3HD1 LEU 12 -10.082 -6.192 -6.314 91 1HD2 LEU 12 1HD2 LEU 12 -10.047 -7.137 -3.832 92 2HD2 LEU 12 2HD2 LEU 12 -8.791 -8.373 -3.581 93 3HD2 LEU 12 3HD2 LEU 12 -8.479 -6.681 -3.124 94 H GLU 13 H GLU 13 -4.474 -9.347 -6.393 95 HA GLU 13 HA GLU 13 -4.095 -10.977 -4.137 96 1HB GLU 13 1HB GLU 13 -3.311 -12.494 -5.653 97 2HB GLU 13 2HB GLU 13 -3.965 -11.376 -6.833 98 1HG GLU 13 1HG GLU 13 -1.671 -10.199 -6.812 99 2HG GLU 13 2HG GLU 13 -1.077 -11.550 -5.868 100 H LEU 14 H LEU 14 -2.281 -8.333 -5.675 101 HA LEU 14 HA LEU 14 0.235 -8.795 -4.673 102 1HB LEU 14 1HB LEU 14 -1.266 -6.244 -5.241 103 2HB LEU 14 2HB LEU 14 0.421 -6.265 -4.767 104 HG LEU 14 HG LEU 14 -0.853 -7.080 -7.335 105 1HD1 LEU 14 1HD1 LEU 14 1.931 -6.093 -7.207 106 2HD1 LEU 14 2HD1 LEU 14 0.577 -5.604 -8.254 107 3HD1 LEU 14 3HD1 LEU 14 0.687 -4.980 -6.590 108 1HD2 LEU 14 1HD2 LEU 14 1.542 -8.475 -6.141 109 2HD2 LEU 14 2HD2 LEU 14 0.081 -9.183 -6.871 110 3HD2 LEU 14 3HD2 LEU 14 1.282 -8.363 -7.898 111 H ILE 15 H ILE 15 -2.606 -7.202 -3.112 112 HA ILE 15 HA ILE 15 -1.280 -6.441 -0.787 113 HB ILE 15 HB ILE 15 -4.146 -7.013 -1.478 114 1HG1 ILE 15 1HG1 ILE 15 -4.088 -4.434 -0.807 115 2HG1 ILE 15 2HG1 ILE 15 -2.396 -4.600 -1.232 116 1HG2 ILE 15 1HG2 ILE 15 -3.025 -6.213 1.216 117 2HG2 ILE 15 2HG2 ILE 15 -4.720 -5.963 0.735 118 3HG2 ILE 15 3HG2 ILE 15 -4.054 -7.611 0.823 119 1HD1 ILE 15 1HD1 ILE 15 -2.843 -4.849 -3.465 120 2HD1 ILE 15 2HD1 ILE 15 -4.267 -5.873 -3.164 121 3HD1 ILE 15 3HD1 ILE 15 -4.403 -4.103 -3.044 122 H LYS 16 H LYS 16 -3.002 -9.487 -1.682 123 HA LYS 16 HA LYS 16 -2.893 -10.729 0.766 124 1HB LYS 16 1HB LYS 16 -3.210 -11.528 -2.051 125 2HB LYS 16 2HB LYS 16 -2.550 -12.788 -1.029 126 1HG LYS 16 1HG LYS 16 -4.490 -13.003 0.200 127 2HG LYS 16 2HG LYS 16 -4.823 -11.283 0.179 128 1HD LYS 16 1HD LYS 16 -5.825 -11.375 -1.987 129 2HD LYS 16 2HD LYS 16 -5.089 -12.919 -2.366 130 1HE LYS 16 1HE LYS 16 -6.650 -14.136 -1.125 131 2HE LYS 16 2HE LYS 16 -6.920 -12.838 0.021 132 1HZ LYS 16 1HZ LYS 16 -8.114 -11.652 -1.695 133 2HZ LYS 16 2HZ LYS 16 -7.862 -12.861 -2.763 134 3HZ LYS 16 3HZ LYS 16 -8.786 -13.119 -1.442 135 H LEU 17 H LEU 17 -0.341 -10.199 -1.670 136 HA LEU 17 HA LEU 17 1.482 -11.941 -0.272 137 1HB LEU 17 1HB LEU 17 1.455 -10.389 -2.802 138 2HB LEU 17 2HB LEU 17 3.019 -10.662 -2.060 139 HG LEU 17 HG LEU 17 1.283 -13.056 -2.302 140 1HD1 LEU 17 1HD1 LEU 17 2.373 -11.606 -4.720 141 2HD1 LEU 17 2HD1 LEU 17 1.978 -13.342 -4.716 142 3HD1 LEU 17 3HD1 LEU 17 0.703 -12.138 -4.407 143 1HD2 LEU 17 1HD2 LEU 17 3.226 -14.082 -1.993 144 2HD2 LEU 17 2HD2 LEU 17 3.936 -13.274 -3.411 145 3HD2 LEU 17 3HD2 LEU 17 3.994 -12.486 -1.816 146 H ARG 18 H ARG 18 0.415 -8.622 -0.167 147 HA ARG 18 HA ARG 18 2.821 -7.590 0.862 148 1HB ARG 18 1HB ARG 18 -0.059 -6.593 0.800 149 2HB ARG 18 2HB ARG 18 1.199 -5.671 1.599 150 1HG ARG 18 1HG ARG 18 2.443 -5.390 -0.450 151 2HG ARG 18 2HG ARG 18 1.509 -6.620 -1.278 152 1HD ARG 18 1HD ARG 18 -0.161 -5.152 -1.817 153 2HD ARG 18 2HD ARG 18 -0.205 -4.469 -0.204 154 HE ARG 18 HE ARG 18 2.198 -3.627 -1.566 155 1HH1 ARG 18 2HH2 ARG 18 -1.271 -3.045 -1.462 156 2HH1 ARG 18 1HH2 ARG 18 -1.145 -1.419 -2.044 157 1HH2 ARG 18 2HH1 ARG 18 2.365 -1.481 -2.334 158 2HH2 ARG 18 1HH1 ARG 18 0.937 -0.523 -2.543 159 H LYS 19 H LYS 19 0.790 -9.875 2.125 160 HA LYS 19 HA LYS 19 0.375 -8.870 4.748 161 1HB LYS 19 1HB LYS 19 -1.012 -10.619 3.597 162 2HB LYS 19 2HB LYS 19 0.323 -11.740 3.775 163 1HG LYS 19 1HG LYS 19 -0.335 -10.350 6.301 164 2HG LYS 19 2HG LYS 19 -1.686 -11.269 5.668 165 1HD LYS 19 1HD LYS 19 1.090 -12.498 5.851 166 2HD LYS 19 2HD LYS 19 0.018 -12.487 7.237 167 1HE LYS 19 1HE LYS 19 -1.735 -13.456 5.420 168 2HE LYS 19 2HE LYS 19 -0.259 -13.974 4.630 169 1HZ LYS 19 1HZ LYS 19 -1.220 -15.549 6.268 170 2HZ LYS 19 2HZ LYS 19 0.353 -15.191 6.521 171 3HZ LYS 19 3HZ LYS 19 -0.799 -14.517 7.462 172 H LYS 20 H LYS 20 3.146 -9.896 3.035 173 HA LYS 20 HA LYS 20 4.515 -10.359 5.591 174 1HB LYS 20 1HB LYS 20 4.220 -12.186 3.420 175 2HB LYS 20 2HB LYS 20 5.894 -11.669 3.446 176 1HG LYS 20 1HG LYS 20 4.700 -12.283 6.120 177 2HG LYS 20 2HG LYS 20 4.883 -13.656 5.046 178 1HD LYS 20 1HD LYS 20 7.165 -11.705 5.566 179 2HD LYS 20 2HD LYS 20 6.884 -13.095 6.595 180 1HE LYS 20 1HE LYS 20 7.640 -14.591 5.015 181 2HE LYS 20 2HE LYS 20 6.893 -13.726 3.686 182 1HZ LYS 20 1HZ LYS 20 8.670 -12.287 3.553 183 2HZ LYS 20 2HZ LYS 20 9.214 -12.604 5.060 184 3HZ LYS 20 3HZ LYS 20 9.404 -13.711 3.874 185 H LYS 21 H LYS 21 3.957 -8.194 3.191 186 HA LYS 21 HA LYS 21 6.742 -7.260 3.257 187 1HB LYS 21 1HB LYS 21 4.729 -6.965 1.008 188 2HB LYS 21 2HB LYS 21 6.320 -6.232 1.046 189 1HG LYS 21 1HG LYS 21 7.436 -8.298 0.822 190 2HG LYS 21 2HG LYS 21 6.098 -9.215 1.486 191 1HD LYS 21 1HD LYS 21 4.793 -8.359 -0.661 192 2HD LYS 21 2HD LYS 21 6.396 -8.056 -1.299 193 1HE LYS 21 1HE LYS 21 5.617 -10.752 -0.106 194 2HE LYS 21 2HE LYS 21 5.359 -10.376 -1.798 195 1HZ LYS 21 1HZ LYS 21 7.934 -9.633 -1.243 196 2HZ LYS 21 2HZ LYS 21 7.744 -11.079 -0.509 197 3HZ LYS 21 3HZ LYS 21 7.452 -10.931 -2.109 198 H ILE 22 H ILE 22 4.605 -5.114 1.701 199 HA ILE 22 HA ILE 22 3.422 -3.906 3.957 200 HB ILE 22 HB ILE 22 6.181 -3.233 3.427 201 1HG1 ILE 22 1HG1 ILE 22 5.406 -3.754 5.633 202 2HG1 ILE 22 2HG1 ILE 22 5.926 -2.081 5.614 203 1HG2 ILE 22 1HG2 ILE 22 4.362 -0.830 3.576 204 2HG2 ILE 22 2HG2 ILE 22 6.113 -0.893 3.261 205 3HG2 ILE 22 3HG2 ILE 22 4.966 -1.473 2.030 206 1HD1 ILE 22 1HD1 ILE 22 3.371 -3.106 6.374 207 2HD1 ILE 22 2HD1 ILE 22 3.877 -1.402 6.288 208 3HD1 ILE 22 3HD1 ILE 22 3.128 -2.181 4.873 209 H GLU 23 H GLU 23 2.672 -1.540 3.244 210 HA GLU 23 HA GLU 23 2.319 -1.470 0.379 211 1HB GLU 23 1HB GLU 23 0.345 -2.680 0.950 212 2HB GLU 23 2HB GLU 23 0.071 -1.734 2.399 213 1HG GLU 23 1HG GLU 23 -0.496 0.252 1.069 214 2HG GLU 23 2HG GLU 23 -0.042 -0.558 -0.417 215 H GLY 24 H GLY 24 3.058 0.537 -0.156 216 1HA GLY 24 1HA GLY 24 2.724 2.712 1.788 217 2HA GLY 24 2HA GLY 24 3.833 2.667 0.431 218 H ARG 25 H ARG 25 2.213 4.916 0.836 219 HA ARG 25 HA ARG 25 1.112 5.238 -1.631 220 1HB ARG 25 1HB ARG 25 -0.694 3.705 -1.002 221 2HB ARG 25 2HB ARG 25 -0.957 4.550 0.510 222 1HG ARG 25 1HG ARG 25 -1.484 6.647 -0.924 223 2HG ARG 25 2HG ARG 25 -1.529 5.568 -2.304 224 1HD ARG 25 1HD ARG 25 -3.117 4.580 0.000 225 2HD ARG 25 2HD ARG 25 -3.681 6.119 -0.618 226 HE ARG 25 HE ARG 25 -3.143 4.195 -2.748 227 1HH1 ARG 25 2HH2 ARG 25 -5.535 5.258 -0.396 228 2HH1 ARG 25 1HH2 ARG 25 -6.880 4.636 -1.292 229 1HH2 ARG 25 2HH1 ARG 25 -4.918 3.374 -3.931 230 2HH2 ARG 25 1HH1 ARG 25 -6.527 3.557 -3.316 231 H LEU 26 H LEU 26 1.305 7.446 -1.879 232 HA LEU 26 HA LEU 26 2.051 9.196 -0.017 233 1HB LEU 26 1HB LEU 26 2.140 10.182 -2.015 234 2HB LEU 26 2HB LEU 26 0.719 9.350 -2.617 235 HG LEU 26 HG LEU 26 -0.644 10.993 -1.171 236 1HD1 LEU 26 1HD1 LEU 26 1.852 11.759 -0.269 237 2HD1 LEU 26 2HD1 LEU 26 1.423 13.044 -1.424 238 3HD1 LEU 26 3HD1 LEU 26 0.334 12.667 -0.068 239 1HD2 LEU 26 1HD2 LEU 26 -0.321 10.961 -3.710 240 2HD2 LEU 26 2HD2 LEU 26 -0.860 12.485 -2.965 241 3HD2 LEU 26 3HD2 LEU 26 0.839 12.287 -3.457 242 H TYR 27 H TYR 27 1.262 10.132 1.802 243 HA TYR 27 HA TYR 27 -1.228 9.319 2.815 244 1HB TYR 27 1HB TYR 27 1.017 10.176 3.916 245 2HB TYR 27 2HB TYR 27 0.455 11.791 3.531 246 HD1 TYR 27 HD1 TYR 27 -1.612 8.924 4.734 247 HD2 TYR 27 HD2 TYR 27 0.125 12.719 5.675 248 HE1 TYR 27 HE1 TYR 27 -2.922 8.992 6.911 249 HE2 TYR 27 HE2 TYR 27 -1.191 12.774 7.850 250 HH TYR 27 HH TYR 27 -2.397 11.580 9.251 251 H ASP 28 H ASP 28 -3.139 9.910 1.877 252 HA ASP 28 HA ASP 28 -3.331 12.662 0.972 253 1HB ASP 28 1HB ASP 28 -5.562 10.712 0.514 254 2HB ASP 28 2HB ASP 28 -4.936 11.950 -0.557 255 H GLU 29 H GLU 29 -6.274 12.711 1.062 256 HA GLU 29 HA GLU 29 -6.567 13.366 3.804 257 1HB GLU 29 1HB GLU 29 -8.422 13.462 1.398 258 2HB GLU 29 2HB GLU 29 -8.985 13.878 3.005 259 1HG GLU 29 1HG GLU 29 -6.436 15.207 2.416 260 2HG GLU 29 2HG GLU 29 -7.630 15.575 1.187 261 H LYS 30 H LYS 30 -7.716 10.779 1.587 262 HA LYS 30 HA LYS 30 -9.528 9.640 3.416 263 1HB LYS 30 1HB LYS 30 -8.298 8.897 0.807 264 2HB LYS 30 2HB LYS 30 -8.932 7.584 1.779 265 1HG LYS 30 1HG LYS 30 -11.121 8.787 1.973 266 2HG LYS 30 2HG LYS 30 -10.487 10.095 0.993 267 1HD LYS 30 1HD LYS 30 -10.831 8.948 -0.945 268 2HD LYS 30 2HD LYS 30 -10.070 7.499 -0.316 269 1HE LYS 30 1HE LYS 30 -12.188 6.947 0.927 270 2HE LYS 30 2HE LYS 30 -12.944 8.374 0.248 271 1HZ LYS 30 1HZ LYS 30 -13.527 6.918 -1.322 272 2HZ LYS 30 2HZ LYS 30 -12.045 7.214 -1.939 273 3HZ LYS 30 3HZ LYS 30 -12.298 5.883 -1.027 274 H ARG 31 H ARG 31 -6.027 9.205 2.754 275 HA ARG 31 HA ARG 31 -5.762 6.936 4.333 276 1HB ARG 31 1HB ARG 31 -3.746 9.096 3.545 277 2HB ARG 31 2HB ARG 31 -3.289 7.604 4.344 278 1HG ARG 31 1HG ARG 31 -4.961 7.464 1.824 279 2HG ARG 31 2HG ARG 31 -3.244 7.786 1.685 280 1HD ARG 31 1HD ARG 31 -2.840 5.563 1.902 281 2HD ARG 31 2HD ARG 31 -3.458 5.633 3.541 282 HE ARG 31 HE ARG 31 -5.621 5.511 1.604 283 1HH1 ARG 31 2HH2 ARG 31 -3.236 3.548 3.289 284 2HH1 ARG 31 1HH2 ARG 31 -4.162 2.089 3.165 285 1HH2 ARG 31 2HH1 ARG 31 -6.843 3.587 1.440 286 2HH2 ARG 31 1HH1 ARG 31 -6.227 2.111 2.106 287 H ARG 32 H ARG 32 -5.873 10.418 5.027 288 HA ARG 32 HA ARG 32 -4.614 10.367 7.483 289 1HB ARG 32 1HB ARG 32 -6.480 12.197 6.022 290 2HB ARG 32 2HB ARG 32 -6.453 12.406 7.761 291 1HG ARG 32 1HG ARG 32 -4.071 12.840 7.774 292 2HG ARG 32 2HG ARG 32 -3.888 12.286 6.121 293 1HD ARG 32 1HD ARG 32 -4.249 14.398 5.376 294 2HD ARG 32 2HD ARG 32 -5.862 14.364 6.060 295 HE ARG 32 HE ARG 32 -3.821 14.884 8.080 296 1HH1 ARG 32 2HH2 ARG 32 -5.811 16.376 5.591 297 2HH1 ARG 32 1HH2 ARG 32 -5.750 17.952 6.307 298 1HH2 ARG 32 2HH1 ARG 32 -3.741 16.962 9.025 299 2HH2 ARG 32 1HH1 ARG 32 -4.565 18.288 8.274 300 H GLN 33 H GLN 33 -7.966 9.645 6.449 301 HA GLN 33 HA GLN 33 -8.996 9.623 9.076 302 1HB GLN 33 1HB GLN 33 -10.015 9.460 6.414 303 2HB GLN 33 2HB GLN 33 -10.555 8.008 7.233 304 1HG GLN 33 1HG GLN 33 -11.727 9.222 8.904 305 2HG GLN 33 2HG GLN 33 -10.804 10.686 8.630 306 1HE2 GLN 33 1HE2 GLN 33 -13.033 8.432 7.031 307 2HE2 GLN 33 2HE2 GLN 33 -13.892 9.599 6.082 308 H ILE 34 H ILE 34 -7.271 7.344 7.021 309 HA ILE 34 HA ILE 34 -8.162 4.992 8.328 310 HB ILE 34 HB ILE 34 -5.816 5.627 6.545 311 1HG1 ILE 34 1HG1 ILE 34 -8.264 3.958 5.945 312 2HG1 ILE 34 2HG1 ILE 34 -8.224 5.689 5.678 313 1HG2 ILE 34 1HG2 ILE 34 -6.538 3.087 7.967 314 2HG2 ILE 34 2HG2 ILE 34 -5.814 3.021 6.342 315 3HG2 ILE 34 3HG2 ILE 34 -4.943 3.818 7.673 316 1HD1 ILE 34 1HD1 ILE 34 -5.821 4.392 4.597 317 2HD1 ILE 34 2HD1 ILE 34 -7.314 3.716 3.902 318 3HD1 ILE 34 3HD1 ILE 34 -6.989 5.462 3.786 319 H LYS 35 H LYS 35 -7.391 3.942 10.128 320 HA LYS 35 HA LYS 35 -4.900 4.871 11.287 321 1HB LYS 35 1HB LYS 35 -5.730 5.723 13.239 322 2HB LYS 35 2HB LYS 35 -6.990 6.232 12.133 323 1HG LYS 35 1HG LYS 35 -7.809 3.654 12.859 324 2HG LYS 35 2HG LYS 35 -7.112 4.271 14.344 325 1HD LYS 35 1HD LYS 35 -9.108 5.892 12.709 326 2HD LYS 35 2HD LYS 35 -9.625 4.751 13.934 327 1HE LYS 35 1HE LYS 35 -8.263 5.970 15.646 328 2HE LYS 35 2HE LYS 35 -7.742 7.110 14.421 329 1HZ LYS 35 1HZ LYS 35 -10.542 6.652 15.187 330 2HZ LYS 35 2HZ LYS 35 -9.626 7.907 15.688 331 3HZ LYS 35 3HZ LYS 35 -10.015 7.759 14.109 332 HA PRO 36 HA PRO 36 -4.669 0.753 12.573 333 1HB PRO 36 1HB PRO 36 -3.547 0.818 15.064 334 2HB PRO 36 2HB PRO 36 -2.622 1.031 13.591 335 1HG PRO 36 1HG PRO 36 -3.457 3.066 15.566 336 2HG PRO 36 2HG PRO 36 -2.205 3.171 14.345 337 1HD PRO 36 1HD PRO 36 -4.812 4.362 14.236 338 2HD PRO 36 2HD PRO 36 -3.602 4.369 12.968 339 H GLY 37 H GLY 37 -6.477 -0.427 12.669 340 1HA GLY 37 1HA GLY 37 -7.659 -1.644 14.498 341 2HA GLY 37 2HA GLY 37 -8.044 -0.065 15.153 342 H ASP 38 H ASP 38 -8.069 -1.498 11.804 343 HA ASP 38 HA ASP 38 -10.893 -1.308 11.713 344 1HB ASP 38 1HB ASP 38 -10.465 0.163 9.450 345 2HB ASP 38 2HB ASP 38 -10.919 0.865 10.990 346 H VAL 39 H VAL 39 -11.528 -1.757 9.172 347 HA VAL 39 HA VAL 39 -9.456 -3.446 7.981 348 HB VAL 39 HB VAL 39 -12.344 -4.271 8.298 349 1HG1 VAL 39 1HG1 VAL 39 -10.066 -6.133 7.698 350 2HG1 VAL 39 2HG1 VAL 39 -11.790 -6.267 7.276 351 3HG1 VAL 39 3HG1 VAL 39 -10.742 -5.131 6.392 352 1HG2 VAL 39 1HG2 VAL 39 -10.083 -4.488 10.168 353 2HG2 VAL 39 2HG2 VAL 39 -11.831 -4.677 10.450 354 3HG2 VAL 39 3HG2 VAL 39 -10.879 -6.040 9.814 355 H ILE 40 H ILE 40 -9.402 -3.390 5.730 356 HA ILE 40 HA ILE 40 -11.356 -1.553 4.532 357 HB ILE 40 HB ILE 40 -8.548 -2.122 3.590 358 1HG1 ILE 40 1HG1 ILE 40 -9.350 0.414 4.991 359 2HG1 ILE 40 2HG1 ILE 40 -8.883 -0.989 5.932 360 1HG2 ILE 40 1HG2 ILE 40 -9.283 -1.129 1.738 361 2HG2 ILE 40 2HG2 ILE 40 -10.815 -0.650 2.507 362 3HG2 ILE 40 3HG2 ILE 40 -9.369 0.372 2.690 363 1HD1 ILE 40 1HD1 ILE 40 -7.184 0.874 4.531 364 2HD1 ILE 40 2HD1 ILE 40 -6.707 -0.499 5.559 365 3HD1 ILE 40 3HD1 ILE 40 -6.964 -0.740 3.814 366 H SER 41 H SER 41 -12.331 -2.123 2.547 367 HA SER 41 HA SER 41 -11.988 -4.951 1.927 368 1HB SER 41 1HB SER 41 -14.224 -4.801 2.539 369 2HB SER 41 2HB SER 41 -14.374 -3.135 2.019 370 HG SER 41 HG SER 41 -14.869 -5.481 0.610 371 H PHE 42 H PHE 42 -11.924 -5.584 -0.338 372 HA PHE 42 HA PHE 42 -11.508 -3.332 -2.171 373 1HB PHE 42 1HB PHE 42 -9.906 -5.868 -1.578 374 2HB PHE 42 2HB PHE 42 -9.800 -5.146 -3.171 375 HD1 PHE 42 HD1 PHE 42 -9.516 -2.396 -2.922 376 HD2 PHE 42 HD2 PHE 42 -8.135 -5.356 -0.213 377 HE1 PHE 42 HE1 PHE 42 -7.757 -0.812 -2.088 378 HE2 PHE 42 HE2 PHE 42 -6.377 -3.771 0.622 379 HZ PHE 42 HZ PHE 42 -6.209 -1.518 -0.326 380 H GLU 43 H GLU 43 -12.597 -3.483 -4.097 381 HA GLU 43 HA GLU 43 -13.956 -4.231 -5.615 382 1HB GLU 43 1HB GLU 43 -12.201 -6.605 -5.113 383 2HB GLU 43 2HB GLU 43 -13.658 -6.904 -6.040 384 1HG GLU 43 1HG GLU 43 -11.582 -4.756 -6.688 385 2HG GLU 43 2HG GLU 43 -11.704 -6.307 -7.493 386 H GLY 44 H GLY 44 -14.982 -4.045 -2.939 387 1HA GLY 44 1HA GLY 44 -17.149 -4.433 -2.214 388 2HA GLY 44 2HA GLY 44 -17.237 -5.888 -3.187 389 H GLY 45 H GLY 45 -15.369 -7.599 -2.507 390 1HA GLY 45 1HA GLY 45 -14.619 -7.631 0.238 391 2HA GLY 45 2HA GLY 45 -16.049 -8.607 -0.028 392 H LYS 46 H LYS 46 -13.565 -8.093 -2.550 393 HA LYS 46 HA LYS 46 -13.229 -10.918 -2.794 394 1HB LYS 46 1HB LYS 46 -13.206 -8.989 -4.599 395 2HB LYS 46 2HB LYS 46 -11.501 -8.912 -4.205 396 1HG LYS 46 1HG LYS 46 -12.601 -11.664 -4.625 397 2HG LYS 46 2HG LYS 46 -12.562 -10.642 -6.049 398 1HD LYS 46 1HD LYS 46 -10.082 -10.106 -5.270 399 2HD LYS 46 2HD LYS 46 -10.247 -11.577 -4.332 400 1HE LYS 46 1HE LYS 46 -11.211 -12.459 -6.741 401 2HE LYS 46 2HE LYS 46 -10.101 -11.225 -7.303 402 1HZ LYS 46 1HZ LYS 46 -9.147 -13.478 -6.961 403 2HZ LYS 46 2HZ LYS 46 -8.337 -12.276 -6.208 404 3HZ LYS 46 3HZ LYS 46 -9.313 -13.266 -5.350 405 H LEU 47 H LEU 47 -11.486 -8.189 -1.303 406 HA LEU 47 HA LEU 47 -9.838 -10.096 0.094 407 1HB LEU 47 1HB LEU 47 -8.660 -9.637 -2.068 408 2HB LEU 47 2HB LEU 47 -8.534 -7.956 -1.589 409 HG LEU 47 HG LEU 47 -6.573 -9.698 -1.194 410 1HD1 LEU 47 1HD1 LEU 47 -5.640 -7.892 -0.311 411 2HD1 LEU 47 2HD1 LEU 47 -7.252 -7.144 -0.209 412 3HD1 LEU 47 3HD1 LEU 47 -6.608 -8.064 1.172 413 1HD2 LEU 47 1HD2 LEU 47 -8.009 -11.197 0.187 414 2HD2 LEU 47 2HD2 LEU 47 -6.526 -10.654 1.007 415 3HD2 LEU 47 3HD2 LEU 47 -8.092 -9.914 1.418 416 H LYS 48 H LYS 48 -9.833 -9.482 2.187 417 HA LYS 48 HA LYS 48 -10.352 -6.639 2.708 418 1HB LYS 48 1HB LYS 48 -10.923 -8.990 4.533 419 2HB LYS 48 2HB LYS 48 -11.398 -7.321 4.774 420 1HG LYS 48 1HG LYS 48 -12.247 -8.679 2.215 421 2HG LYS 48 2HG LYS 48 -13.079 -9.118 3.694 422 1HD LYS 48 1HD LYS 48 -13.011 -6.339 3.873 423 2HD LYS 48 2HD LYS 48 -13.191 -6.588 2.147 424 1HE LYS 48 1HE LYS 48 -15.396 -7.009 2.461 425 2HE LYS 48 2HE LYS 48 -14.975 -8.443 3.377 426 1HZ LYS 48 1HZ LYS 48 -14.836 -5.865 4.709 427 2HZ LYS 48 2HZ LYS 48 -16.305 -6.533 4.459 428 3HZ LYS 48 3HZ LYS 48 -15.182 -7.335 5.332 429 H VAL 49 H VAL 49 -9.062 -5.525 4.223 430 HA VAL 49 HA VAL 49 -6.747 -7.027 5.210 431 HB VAL 49 HB VAL 49 -5.265 -5.265 4.560 432 1HG1 VAL 49 1HG1 VAL 49 -6.123 -5.252 1.926 433 2HG1 VAL 49 2HG1 VAL 49 -5.121 -6.505 2.697 434 3HG1 VAL 49 3HG1 VAL 49 -6.885 -6.714 2.596 435 1HG2 VAL 49 1HG2 VAL 49 -7.659 -3.699 4.404 436 2HG2 VAL 49 2HG2 VAL 49 -5.964 -3.164 4.308 437 3HG2 VAL 49 3HG2 VAL 49 -6.833 -3.635 2.828 438 H ARG 50 H ARG 50 -5.690 -5.954 7.091 439 HA ARG 50 HA ARG 50 -7.568 -4.181 8.428 440 1HB ARG 50 1HB ARG 50 -7.899 -6.219 9.602 441 2HB ARG 50 2HB ARG 50 -6.221 -6.699 9.447 442 1HG ARG 50 1HG ARG 50 -5.514 -5.345 11.221 443 2HG ARG 50 2HG ARG 50 -6.804 -4.180 10.993 444 1HD ARG 50 1HD ARG 50 -7.824 -5.197 12.764 445 2HD ARG 50 2HD ARG 50 -8.230 -6.480 11.642 446 HE ARG 50 HE ARG 50 -5.560 -6.891 12.641 447 1HH1 ARG 50 2HH2 ARG 50 -8.927 -7.110 13.641 448 2HH1 ARG 50 1HH2 ARG 50 -8.627 -8.337 14.827 449 1HH2 ARG 50 2HH1 ARG 50 -5.165 -8.509 14.205 450 2HH2 ARG 50 1HH1 ARG 50 -6.473 -9.138 15.150 451 H VAL 51 H VAL 51 -6.581 -2.253 8.952 452 HA VAL 51 HA VAL 51 -3.863 -1.824 8.511 453 HB VAL 51 HB VAL 51 -5.926 -0.272 10.083 454 1HG1 VAL 51 1HG1 VAL 51 -3.743 0.441 10.825 455 2HG1 VAL 51 2HG1 VAL 51 -3.158 0.550 9.147 456 3HG1 VAL 51 3HG1 VAL 51 -4.404 1.680 9.730 457 1HG2 VAL 51 1HG2 VAL 51 -6.686 -0.353 7.872 458 2HG2 VAL 51 2HG2 VAL 51 -5.775 1.174 7.940 459 3HG2 VAL 51 3HG2 VAL 51 -5.041 -0.268 7.198 460 H LYS 52 H LYS 52 -2.056 -1.811 9.842 461 HA LYS 52 HA LYS 52 -2.521 -2.945 12.509 462 1HB LYS 52 1HB LYS 52 -0.550 -3.473 10.380 463 2HB LYS 52 2HB LYS 52 0.149 -3.315 11.979 464 1HG LYS 52 1HG LYS 52 -2.263 -4.885 12.222 465 2HG LYS 52 2HG LYS 52 -1.333 -5.537 10.888 466 1HD LYS 52 1HD LYS 52 -0.338 -6.692 12.642 467 2HD LYS 52 2HD LYS 52 0.710 -5.289 12.595 468 1HE LYS 52 1HE LYS 52 -0.073 -4.464 14.599 469 2HE LYS 52 2HE LYS 52 -1.729 -4.927 14.264 470 1HZ LYS 52 1HZ LYS 52 0.425 -6.723 15.139 471 2HZ LYS 52 2HZ LYS 52 -0.869 -6.252 16.017 472 3HZ LYS 52 3HZ LYS 52 -1.072 -7.225 14.722 473 H ALA 53 H ALA 53 -0.705 -0.477 10.606 474 HA ALA 53 HA ALA 53 -0.850 1.354 12.763 475 1HB ALA 53 1HB ALA 53 1.347 1.384 13.544 476 2HB ALA 53 2HB ALA 53 1.069 -0.361 13.327 477 3HB ALA 53 3HB ALA 53 1.981 0.554 12.103 478 H ILE 54 H ILE 54 0.733 3.334 12.128 479 HA ILE 54 HA ILE 54 0.631 3.555 9.201 480 HB ILE 54 HB ILE 54 -1.118 4.801 10.799 481 1HG1 ILE 54 1HG1 ILE 54 0.104 5.501 8.162 482 2HG1 ILE 54 2HG1 ILE 54 -1.519 4.961 8.540 483 1HG2 ILE 54 1HG2 ILE 54 -0.476 7.069 11.261 484 2HG2 ILE 54 2HG2 ILE 54 0.700 5.976 12.029 485 3HG2 ILE 54 3HG2 ILE 54 1.123 6.819 10.520 486 1HD1 ILE 54 1HD1 ILE 54 -0.329 7.730 8.917 487 2HD1 ILE 54 2HD1 ILE 54 -1.779 7.261 7.996 488 3HD1 ILE 54 3HD1 ILE 54 -1.807 7.233 9.775 489 H ARG 55 H ARG 55 2.336 4.729 8.216 490 HA ARG 55 HA ARG 55 4.374 5.684 10.019 491 1HB ARG 55 1HB ARG 55 4.780 3.529 7.896 492 2HB ARG 55 2HB ARG 55 6.118 4.484 8.503 493 1HG ARG 55 1HG ARG 55 4.605 3.548 10.777 494 2HG ARG 55 2HG ARG 55 4.872 2.180 9.714 495 1HD ARG 55 1HD ARG 55 6.777 2.278 11.198 496 2HD ARG 55 2HD ARG 55 7.343 2.819 9.630 497 HE ARG 55 HE ARG 55 6.518 5.160 10.917 498 1HH1 ARG 55 2HH2 ARG 55 8.822 2.592 11.610 499 2HH1 ARG 55 1HH2 ARG 55 9.884 3.616 12.519 500 1HH2 ARG 55 2HH1 ARG 55 7.918 6.511 12.116 501 2HH2 ARG 55 1HH1 ARG 55 9.366 5.860 12.808 502 H VAL 56 H VAL 56 5.666 7.379 9.089 503 HA VAL 56 HA VAL 56 4.986 8.072 6.321 504 HB VAL 56 HB VAL 56 5.307 10.110 8.513 505 1HG1 VAL 56 1HG1 VAL 56 4.020 11.523 6.914 506 2HG1 VAL 56 2HG1 VAL 56 5.578 10.960 6.262 507 3HG1 VAL 56 3HG1 VAL 56 4.062 10.182 5.745 508 1HG2 VAL 56 1HG2 VAL 56 2.921 10.225 8.798 509 2HG2 VAL 56 2HG2 VAL 56 2.658 8.999 7.534 510 3HG2 VAL 56 3HG2 VAL 56 3.431 8.541 9.071 511 H TYR 57 H TYR 57 6.692 8.939 5.095 512 HA TYR 57 HA TYR 57 9.264 9.127 6.502 513 1HB TYR 57 1HB TYR 57 8.318 7.592 4.036 514 2HB TYR 57 2HB TYR 57 9.980 8.145 4.077 515 HD1 TYR 57 HD1 TYR 57 7.506 6.139 6.040 516 HD2 TYR 57 HD2 TYR 57 11.627 6.854 5.139 517 HE1 TYR 57 HE1 TYR 57 8.164 4.083 7.383 518 HE2 TYR 57 HE2 TYR 57 12.271 4.795 6.485 519 HH TYR 57 HH TYR 57 10.177 2.447 7.297 520 H ASN 58 H ASN 58 10.936 9.949 4.568 521 HA ASN 58 HA ASN 58 9.999 12.564 4.091 522 1HB ASN 58 1HB ASN 58 12.537 11.046 3.838 523 2HB ASN 58 2HB ASN 58 12.342 12.241 2.571 524 1HD2 ASN 58 1HD2 ASN 58 12.484 11.684 6.027 525 2HD2 ASN 58 2HD2 ASN 58 12.868 13.299 6.519 526 H SER 59 H SER 59 10.802 9.638 2.106 527 HA SER 59 HA SER 59 8.980 10.540 0.102 528 1HB SER 59 1HB SER 59 11.268 11.601 -0.435 529 2HB SER 59 2HB SER 59 11.851 9.977 -0.739 530 HG SER 59 HG SER 59 11.149 10.456 -2.733 531 H PHE 60 H PHE 60 8.927 8.770 -1.757 532 HA PHE 60 HA PHE 60 8.445 6.317 -0.532 533 1HB PHE 60 1HB PHE 60 8.361 7.641 -3.156 534 2HB PHE 60 2HB PHE 60 8.972 6.011 -3.357 535 HD1 PHE 60 HD1 PHE 60 7.536 4.227 -1.864 536 HD2 PHE 60 HD2 PHE 60 6.098 7.892 -3.448 537 HE1 PHE 60 HE1 PHE 60 5.189 3.339 -1.789 538 HE2 PHE 60 HE2 PHE 60 3.752 7.004 -3.373 539 HZ PHE 60 HZ PHE 60 3.325 4.739 -2.545 540 H ARG 61 H ARG 61 11.291 7.615 -2.295 541 HA ARG 61 HA ARG 61 12.586 5.255 -2.730 542 1HB ARG 61 1HB ARG 61 13.143 7.868 -3.239 543 2HB ARG 61 2HB ARG 61 14.225 7.636 -1.880 544 1HG ARG 61 1HG ARG 61 14.626 5.334 -3.458 545 2HG ARG 61 2HG ARG 61 14.448 6.621 -4.634 546 1HD ARG 61 1HD ARG 61 16.107 7.710 -2.597 547 2HD ARG 61 2HD ARG 61 16.688 6.073 -2.829 548 HE ARG 61 HE ARG 61 16.394 6.980 -5.420 549 1HH1 ARG 61 2HH2 ARG 61 18.052 8.254 -2.590 550 2HH1 ARG 61 1HH2 ARG 61 19.271 9.068 -3.513 551 1HH2 ARG 61 2HH1 ARG 61 18.002 8.054 -6.638 552 2HH2 ARG 61 1HH1 ARG 61 19.242 8.953 -5.831 553 H GLU 62 H GLU 62 12.326 7.281 0.213 554 HA GLU 62 HA GLU 62 14.362 5.909 1.600 555 1HB GLU 62 1HB GLU 62 12.358 8.032 2.179 556 2HB GLU 62 2HB GLU 62 12.820 7.069 3.568 557 1HG GLU 62 1HG GLU 62 14.498 8.677 3.643 558 2HG GLU 62 2HG GLU 62 15.294 7.477 2.645 559 H MET 63 H MET 63 10.805 5.597 1.278 560 HA MET 63 HA MET 63 10.537 3.770 3.389 561 1HB MET 63 1HB MET 63 8.899 4.998 1.262 562 2HB MET 63 2HB MET 63 8.458 3.318 1.493 563 1HG MET 63 1HG MET 63 8.254 3.771 3.987 564 2HG MET 63 2HG MET 63 8.559 5.467 3.665 565 1HE MET 63 1HE MET 63 6.711 2.475 2.339 566 2HE MET 63 2HE MET 63 5.054 3.028 1.999 567 3HE MET 63 3HE MET 63 6.376 3.433 0.877 568 H LEU 64 H LEU 64 10.864 3.419 -0.200 569 HA LEU 64 HA LEU 64 10.652 0.599 -0.137 570 1HB LEU 64 1HB LEU 64 11.911 2.323 -2.268 571 2HB LEU 64 2HB LEU 64 11.271 0.701 -2.447 572 HG LEU 64 HG LEU 64 9.377 2.793 -1.489 573 1HD1 LEU 64 1HD1 LEU 64 9.701 2.686 -4.435 574 2HD1 LEU 64 2HD1 LEU 64 9.234 4.034 -3.371 575 3HD1 LEU 64 3HD1 LEU 64 10.947 3.578 -3.530 576 1HD2 LEU 64 1HD2 LEU 64 8.904 0.779 -3.669 577 2HD2 LEU 64 2HD2 LEU 64 8.939 0.275 -1.962 578 3HD2 LEU 64 3HD2 LEU 64 7.757 1.489 -2.507 579 H GLU 65 H GLU 65 13.268 2.941 0.341 580 HA GLU 65 HA GLU 65 15.312 1.025 -0.051 581 1HB GLU 65 1HB GLU 65 15.194 3.849 1.037 582 2HB GLU 65 2HB GLU 65 16.666 2.912 1.202 583 1HG GLU 65 1HG GLU 65 15.423 2.873 -1.519 584 2HG GLU 65 2HG GLU 65 16.054 4.426 -1.005 585 H LYS 66 H LYS 66 13.586 2.449 2.778 586 HA LYS 66 HA LYS 66 15.164 0.883 4.613 587 1HB LYS 66 1HB LYS 66 13.877 3.298 4.790 588 2HB LYS 66 2HB LYS 66 12.733 2.242 5.594 589 1HG LYS 66 1HG LYS 66 15.187 1.373 6.618 590 2HG LYS 66 2HG LYS 66 15.429 3.102 6.463 591 1HD LYS 66 1HD LYS 66 12.819 2.205 7.654 592 2HD LYS 66 2HD LYS 66 14.253 1.974 8.635 593 1HE LYS 66 1HE LYS 66 14.125 4.644 7.340 594 2HE LYS 66 2HE LYS 66 12.802 4.342 8.448 595 1HZ LYS 66 1HZ LYS 66 15.663 4.108 9.068 596 2HZ LYS 66 2HZ LYS 66 14.635 5.248 9.625 597 3HZ LYS 66 3HZ LYS 66 14.467 3.695 10.100 598 H GLU 67 H GLU 67 11.602 1.152 3.912 599 HA GLU 67 HA GLU 67 10.984 -1.195 5.218 600 1HB GLU 67 1HB GLU 67 9.580 0.839 3.955 601 2HB GLU 67 2HB GLU 67 9.248 -0.527 2.909 602 1HG GLU 67 1HG GLU 67 8.697 -0.295 5.894 603 2HG GLU 67 2HG GLU 67 7.531 -0.524 4.606 604 H GLY 68 H GLY 68 11.496 -0.554 1.678 605 1HA GLY 68 1HA GLY 68 12.942 -2.321 0.646 606 2HA GLY 68 2HA GLY 68 11.794 -3.472 1.301 607 H LEU 69 H LEU 69 12.654 -2.082 -1.525 608 HA LEU 69 HA LEU 69 10.317 -1.017 -2.583 609 1HB LEU 69 1HB LEU 69 12.271 -0.599 -3.748 610 2HB LEU 69 2HB LEU 69 12.788 -2.273 -3.711 611 HG LEU 69 HG LEU 69 10.864 -2.790 -5.290 612 1HD1 LEU 69 1HD1 LEU 69 10.223 -0.692 -6.679 613 2HD1 LEU 69 2HD1 LEU 69 9.379 -1.017 -5.146 614 3HD1 LEU 69 3HD1 LEU 69 10.668 0.209 -5.209 615 1HD2 LEU 69 1HD2 LEU 69 12.144 -1.517 -7.240 616 2HD2 LEU 69 2HD2 LEU 69 13.329 -1.244 -5.941 617 3HD2 LEU 69 3HD2 LEU 69 12.858 -2.903 -6.382 618 H GLU 70 H GLU 70 11.641 -4.390 -2.913 619 HA GLU 70 HA GLU 70 9.310 -5.317 -4.132 620 1HB GLU 70 1HB GLU 70 11.836 -6.469 -3.074 621 2HB GLU 70 2HB GLU 70 10.479 -7.578 -3.053 622 1HG GLU 70 1HG GLU 70 10.051 -7.080 -5.478 623 2HG GLU 70 2HG GLU 70 11.433 -6.002 -5.492 624 H ASN 71 H ASN 71 9.970 -4.407 -0.898 625 HA ASN 71 HA ASN 71 8.089 -6.305 0.190 626 1HB ASN 71 1HB ASN 71 9.807 -4.111 1.460 627 2HB ASN 71 2HB ASN 71 8.688 -5.095 2.382 628 1HD2 ASN 71 1HD2 ASN 71 10.646 -6.074 -0.394 629 2HD2 ASN 71 2HD2 ASN 71 11.639 -7.236 0.421 630 H VAL 72 H VAL 72 7.694 -3.730 -1.682 631 HA VAL 72 HA VAL 72 5.372 -2.775 -0.198 632 HB VAL 72 HB VAL 72 7.582 -1.064 -1.340 633 1HG1 VAL 72 1HG1 VAL 72 5.532 -0.084 -2.126 634 2HG1 VAL 72 2HG1 VAL 72 4.770 -0.265 -0.527 635 3HG1 VAL 72 3HG1 VAL 72 6.112 0.883 -0.748 636 1HG2 VAL 72 1HG2 VAL 72 8.264 -1.061 0.789 637 2HG2 VAL 72 2HG2 VAL 72 6.798 -0.130 1.178 638 3HG2 VAL 72 3HG2 VAL 72 6.793 -1.904 1.332 639 H LEU 73 H LEU 73 7.284 -2.789 -3.271 640 HA LEU 73 HA LEU 73 4.711 -2.978 -4.674 641 1HB LEU 73 1HB LEU 73 6.158 -0.785 -4.815 642 2HB LEU 73 2HB LEU 73 7.106 -1.725 -5.950 643 HG LEU 73 HG LEU 73 4.516 -2.137 -6.839 644 1HD1 LEU 73 1HD1 LEU 73 4.650 0.432 -5.389 645 2HD1 LEU 73 2HD1 LEU 73 3.981 0.515 -7.036 646 3HD1 LEU 73 3HD1 LEU 73 3.250 -0.574 -5.833 647 1HD2 LEU 73 1HD2 LEU 73 6.851 -0.498 -7.678 648 2HD2 LEU 73 2HD2 LEU 73 5.997 -1.811 -8.524 649 3HD2 LEU 73 3HD2 LEU 73 5.296 -0.175 -8.483 650 HA PRO 74 HA PRO 74 6.934 -6.708 -5.626 651 1HB PRO 74 1HB PRO 74 4.743 -8.331 -5.808 652 2HB PRO 74 2HB PRO 74 5.632 -8.086 -4.318 653 1HG PRO 74 1HG PRO 74 3.005 -6.987 -5.112 654 2HG PRO 74 2HG PRO 74 3.706 -7.108 -3.510 655 1HD PRO 74 1HD PRO 74 3.513 -4.745 -5.124 656 2HD PRO 74 2HD PRO 74 4.315 -4.892 -3.573 657 H GLY 75 H GLY 75 7.838 -6.753 -7.577 658 1HA GLY 75 1HA GLY 75 7.281 -7.669 -9.806 659 2HA GLY 75 2HA GLY 75 5.921 -6.563 -9.825 660 H VAL 76 H VAL 76 7.403 -4.360 -8.432 661 HA VAL 76 HA VAL 76 8.167 -2.827 -10.479 662 HB VAL 76 HB VAL 76 7.951 -2.079 -8.184 663 1HG1 VAL 76 1HG1 VAL 76 9.236 -2.737 -6.421 664 2HG1 VAL 76 2HG1 VAL 76 9.424 -4.194 -7.425 665 3HG1 VAL 76 3HG1 VAL 76 10.696 -2.949 -7.418 666 1HG2 VAL 76 1HG2 VAL 76 9.302 -0.289 -8.480 667 2HG2 VAL 76 2HG2 VAL 76 10.764 -1.288 -8.666 668 3HG2 VAL 76 3HG2 VAL 76 9.659 -1.063 -10.043 669 H LYS 77 H LYS 77 10.150 -2.256 -11.559 670 HA LYS 77 HA LYS 77 11.834 -4.570 -11.947 671 1HB LYS 77 1HB LYS 77 11.688 -1.881 -13.339 672 2HB LYS 77 2HB LYS 77 12.796 -3.163 -13.784 673 1HG LYS 77 1HG LYS 77 10.533 -4.628 -13.802 674 2HG LYS 77 2HG LYS 77 9.796 -3.060 -14.069 675 1HD LYS 77 1HD LYS 77 10.329 -3.263 -16.264 676 2HD LYS 77 2HD LYS 77 12.012 -3.075 -15.816 677 1HE LYS 77 1HE LYS 77 11.995 -5.632 -15.320 678 2HE LYS 77 2HE LYS 77 10.462 -5.672 -16.169 679 1HZ LYS 77 1HZ LYS 77 13.055 -4.828 -17.244 680 2HZ LYS 77 2HZ LYS 77 12.135 -6.086 -17.730 681 3HZ LYS 77 3HZ LYS 77 11.649 -4.556 -18.028 682 H SER 78 H SER 78 11.968 -1.278 -10.545 683 HA SER 78 HA SER 78 14.172 -2.051 -8.974 684 1HB SER 78 1HB SER 78 14.640 -0.369 -11.422 685 2HB SER 78 2HB SER 78 15.499 0.084 -9.963 686 HG SER 78 HG SER 78 16.080 -2.340 -9.891 687 H ILE 79 H ILE 79 14.940 -0.036 -7.614 688 HA ILE 79 HA ILE 79 12.710 1.105 -6.439 689 HB ILE 79 HB ILE 79 15.620 1.901 -6.376 690 1HG1 ILE 79 1HG1 ILE 79 13.919 0.121 -4.615 691 2HG1 ILE 79 2HG1 ILE 79 15.303 -0.343 -5.585 692 1HG2 ILE 79 1HG2 ILE 79 14.293 2.685 -4.001 693 2HG2 ILE 79 2HG2 ILE 79 15.066 3.715 -5.230 694 3HG2 ILE 79 3HG2 ILE 79 13.338 3.311 -5.367 695 1HD1 ILE 79 1HD1 ILE 79 16.085 1.843 -3.852 696 2HD1 ILE 79 2HD1 ILE 79 15.296 0.576 -2.882 697 3HD1 ILE 79 3HD1 ILE 79 16.708 0.176 -3.890 698 H GLU 80 H GLU 80 14.853 2.261 -9.072 699 HA GLU 80 HA GLU 80 13.857 4.858 -9.098 700 1HB GLU 80 1HB GLU 80 15.644 3.197 -10.703 701 2HB GLU 80 2HB GLU 80 14.650 4.200 -11.741 702 1HG GLU 80 1HG GLU 80 15.607 5.735 -9.436 703 2HG GLU 80 2HG GLU 80 16.951 5.000 -10.287 704 H GLU 81 H GLU 81 12.936 1.861 -10.902 705 HA GLU 81 HA GLU 81 11.044 3.093 -12.509 706 1HB GLU 81 1HB GLU 81 11.678 0.285 -11.669 707 2HB GLU 81 2HB GLU 81 10.094 0.556 -12.368 708 1HG GLU 81 1HG GLU 81 12.370 1.849 -13.817 709 2HG GLU 81 2HG GLU 81 12.361 0.097 -13.846 710 H GLY 82 H GLY 82 10.908 1.744 -9.194 711 1HA GLY 82 1HA GLY 82 8.185 1.549 -8.805 712 2HA GLY 82 2HA GLY 82 9.365 1.947 -7.572 713 H ILE 83 H ILE 83 10.341 4.434 -8.279 714 HA ILE 83 HA ILE 83 8.367 6.140 -7.380 715 HB ILE 83 HB ILE 83 11.039 6.455 -8.666 716 1HG1 ILE 83 1HG1 ILE 83 10.708 7.947 -6.271 717 2HG1 ILE 83 2HG1 ILE 83 9.936 6.396 -6.009 718 1HG2 ILE 83 1HG2 ILE 83 10.872 8.910 -8.474 719 2HG2 ILE 83 2HG2 ILE 83 9.776 8.241 -9.708 720 3HG2 ILE 83 3HG2 ILE 83 9.133 8.750 -8.127 721 1HD1 ILE 83 1HD1 ILE 83 12.206 5.551 -7.268 722 2HD1 ILE 83 2HD1 ILE 83 12.816 7.029 -6.485 723 3HD1 ILE 83 3HD1 ILE 83 12.081 5.739 -5.503 724 H GLN 84 H GLN 84 9.374 5.273 -10.722 725 HA GLN 84 HA GLN 84 7.936 7.201 -12.033 726 1HB GLN 84 1HB GLN 84 9.188 4.612 -12.681 727 2HB GLN 84 2HB GLN 84 7.800 4.953 -13.696 728 1HG GLN 84 1HG GLN 84 9.831 5.879 -14.731 729 2HG GLN 84 2HG GLN 84 8.754 7.184 -14.275 730 1HE2 GLN 84 1HE2 GLN 84 11.856 6.296 -14.350 731 2HE2 GLN 84 2HE2 GLN 84 12.521 7.177 -13.015 732 H VAL 85 H VAL 85 6.917 4.054 -10.651 733 HA VAL 85 HA VAL 85 4.381 4.002 -11.867 734 HB VAL 85 HB VAL 85 5.791 2.621 -9.642 735 1HG1 VAL 85 1HG1 VAL 85 3.450 1.332 -9.436 736 2HG1 VAL 85 2HG1 VAL 85 3.888 2.700 -8.384 737 3HG1 VAL 85 3HG1 VAL 85 2.831 2.962 -9.792 738 1HG2 VAL 85 1HG2 VAL 85 5.622 0.766 -10.983 739 2HG2 VAL 85 2HG2 VAL 85 4.069 1.274 -11.688 740 3HG2 VAL 85 3HG2 VAL 85 5.583 2.039 -12.226 741 H TYR 86 H TYR 86 5.488 5.038 -8.565 742 HA TYR 86 HA TYR 86 2.979 5.905 -7.710 743 1HB TYR 86 1HB TYR 86 5.825 6.926 -7.104 744 2HB TYR 86 2HB TYR 86 4.445 7.137 -6.044 745 HD1 TYR 86 HD1 TYR 86 3.225 4.390 -6.223 746 HD2 TYR 86 HD2 TYR 86 7.296 5.636 -5.796 747 HE1 TYR 86 HE1 TYR 86 3.784 2.195 -5.069 748 HE2 TYR 86 HE2 TYR 86 7.841 3.437 -4.643 749 HH TYR 86 HH TYR 86 5.424 1.344 -3.521 750 H ARG 87 H ARG 87 5.233 7.281 -10.005 751 HA ARG 87 HA ARG 87 4.462 9.952 -9.594 752 1HB ARG 87 1HB ARG 87 6.611 9.403 -10.660 753 2HB ARG 87 2HB ARG 87 5.802 8.536 -11.950 754 1HG ARG 87 1HG ARG 87 6.292 10.649 -12.915 755 2HG ARG 87 2HG ARG 87 4.596 10.772 -12.489 756 1HD ARG 87 1HD ARG 87 5.001 12.479 -11.039 757 2HD ARG 87 2HD ARG 87 6.251 11.569 -10.216 758 HE ARG 87 HE ARG 87 7.868 12.709 -11.463 759 1HH1 ARG 87 2HH2 ARG 87 4.746 13.050 -13.050 760 2HH1 ARG 87 1HH2 ARG 87 5.324 14.183 -14.226 761 1HH2 ARG 87 2HH1 ARG 87 8.631 14.204 -13.014 762 2HH2 ARG 87 1HH1 ARG 87 7.549 14.844 -14.205 763 H ARG 88 H ARG 88 3.581 7.352 -11.961 764 HA ARG 88 HA ARG 88 1.787 9.024 -13.340 765 1HB ARG 88 1HB ARG 88 1.071 6.860 -14.441 766 2HB ARG 88 2HB ARG 88 2.803 7.120 -14.489 767 1HG ARG 88 1HG ARG 88 3.180 5.571 -12.655 768 2HG ARG 88 2HG ARG 88 1.468 5.487 -12.288 769 1HD ARG 88 1HD ARG 88 1.523 3.587 -13.576 770 2HD ARG 88 2HD ARG 88 1.422 4.706 -14.921 771 HE ARG 88 HE ARG 88 4.174 4.422 -14.155 772 1HH1 ARG 88 2HH2 ARG 88 1.585 2.618 -15.710 773 2HH1 ARG 88 1HH2 ARG 88 2.659 1.645 -16.659 774 1HH2 ARG 88 2HH1 ARG 88 5.592 3.139 -15.406 775 2HH2 ARG 88 1HH1 ARG 88 4.954 1.943 -16.484 776 H PHE 89 H PHE 89 1.654 6.969 -10.477 777 HA PHE 89 HA PHE 89 -1.228 6.792 -10.531 778 1HB PHE 89 1HB PHE 89 1.125 5.620 -9.167 779 2HB PHE 89 2HB PHE 89 -0.111 6.046 -8.000 780 HD1 PHE 89 HD1 PHE 89 0.720 3.887 -10.833 781 HD2 PHE 89 HD2 PHE 89 -2.248 4.893 -7.972 782 HE1 PHE 89 HE1 PHE 89 -0.515 1.768 -11.369 783 HE2 PHE 89 HE2 PHE 89 -3.483 2.775 -8.508 784 HZ PHE 89 HZ PHE 89 -2.602 1.238 -10.200 785 H TYR 90 H TYR 90 1.321 8.198 -8.346 786 HA TYR 90 HA TYR 90 -0.763 9.989 -7.303 787 1HB TYR 90 1HB TYR 90 2.023 9.524 -6.149 788 2HB TYR 90 2HB TYR 90 0.553 9.914 -5.278 789 HD1 TYR 90 HD1 TYR 90 -1.286 7.807 -6.400 790 HD2 TYR 90 HD2 TYR 90 2.769 7.576 -5.055 791 HE1 TYR 90 HE1 TYR 90 -1.603 5.347 -5.842 792 HE2 TYR 90 HE2 TYR 90 2.438 5.117 -4.502 793 HH TYR 90 HH TYR 90 1.105 3.420 -4.586 794 H ASP 91 H ASP 91 -0.492 12.215 -7.372 795 HA ASP 91 HA ASP 91 1.143 13.214 -9.352 796 1HB ASP 91 1HB ASP 91 0.260 14.945 -7.036 797 2HB ASP 91 2HB ASP 91 0.288 15.334 -8.744 798 H GLU 92 H GLU 92 3.134 14.487 -9.206 799 HA GLU 92 HA GLU 92 4.843 13.624 -7.142 800 1HB GLU 92 1HB GLU 92 5.655 14.004 -9.435 801 2HB GLU 92 2HB GLU 92 5.220 15.700 -9.344 802 1HG GLU 92 1HG GLU 92 6.941 14.867 -7.093 803 2HG GLU 92 2HG GLU 92 7.702 14.590 -8.647 804 H GLU 93 H GLU 93 3.109 16.676 -7.926 805 HA GLU 93 HA GLU 93 4.375 18.274 -6.074 806 1HB GLU 93 1HB GLU 93 2.290 18.534 -7.933 807 2HB GLU 93 2HB GLU 93 1.510 18.875 -6.401 808 1HG GLU 93 1HG GLU 93 4.028 20.233 -7.474 809 2HG GLU 93 2HG GLU 93 2.431 20.949 -7.383 810 H LYS 94 H LYS 94 1.293 16.369 -5.785 811 HA LYS 94 HA LYS 94 0.798 17.052 -3.131 812 1HB LYS 94 1HB LYS 94 -0.289 15.298 -5.149 813 2HB LYS 94 2HB LYS 94 -0.226 14.456 -3.614 814 1HG LYS 94 1HG LYS 94 -1.160 17.264 -3.379 815 2HG LYS 94 2HG LYS 94 -2.198 16.268 -4.379 816 1HD LYS 94 1HD LYS 94 -1.887 14.522 -2.352 817 2HD LYS 94 2HD LYS 94 -1.541 15.983 -1.449 818 1HE LYS 94 1HE LYS 94 -3.706 16.962 -2.086 819 2HE LYS 94 2HE LYS 94 -4.039 15.626 -3.171 820 1HZ LYS 94 1HZ LYS 94 -3.898 14.171 -1.192 821 2HZ LYS 94 2HZ LYS 94 -3.820 15.502 -0.248 822 3HZ LYS 94 3HZ LYS 94 -5.148 15.221 -1.156 823 H GLU 95 H GLU 95 2.771 14.443 -4.627 824 HA GLU 95 HA GLU 95 3.243 13.096 -2.239 825 1HB GLU 95 1HB GLU 95 3.638 12.371 -4.720 826 2HB GLU 95 2HB GLU 95 5.191 13.168 -4.565 827 1HG GLU 95 1HG GLU 95 5.475 11.741 -2.381 828 2HG GLU 95 2HG GLU 95 4.147 10.781 -3.000 829 H LYS 96 H LYS 96 5.234 15.520 -4.075 830 HA LYS 96 HA LYS 96 7.274 15.616 -2.143 831 1HB LYS 96 1HB LYS 96 6.704 16.749 -4.702 832 2HB LYS 96 2HB LYS 96 7.116 18.064 -3.620 833 1HG LYS 96 1HG LYS 96 8.849 15.647 -3.362 834 2HG LYS 96 2HG LYS 96 8.963 16.469 -4.906 835 1HD LYS 96 1HD LYS 96 8.985 18.574 -3.037 836 2HD LYS 96 2HD LYS 96 9.936 17.324 -2.258 837 1HE LYS 96 1HE LYS 96 10.860 17.253 -4.904 838 2HE LYS 96 2HE LYS 96 10.579 18.962 -4.634 839 1HZ LYS 96 1HZ LYS 96 11.834 17.772 -2.408 840 2HZ LYS 96 2HZ LYS 96 12.708 17.520 -3.764 841 3HZ LYS 96 3HZ LYS 96 12.324 19.041 -3.311 842 H LYS 97 H LYS 97 4.023 16.746 -2.137 843 HA LYS 97 HA LYS 97 4.466 19.053 -0.523 844 1HB LYS 97 1HB LYS 97 2.253 17.740 -1.857 845 2HB LYS 97 2HB LYS 97 1.807 18.173 -0.219 846 1HG LYS 97 1HG LYS 97 2.219 20.483 -0.570 847 2HG LYS 97 2HG LYS 97 3.278 20.191 -1.936 848 1HD LYS 97 1HD LYS 97 1.307 20.945 -2.985 849 2HD LYS 97 2HD LYS 97 1.155 19.204 -3.115 850 1HE LYS 97 1HE LYS 97 -0.796 19.279 -1.962 851 2HE LYS 97 2HE LYS 97 0.042 19.942 -0.573 852 1HZ LYS 97 1HZ LYS 97 -1.786 21.241 -2.023 853 2HZ LYS 97 2HZ LYS 97 -0.698 21.964 -1.042 854 3HZ LYS 97 3HZ LYS 97 -0.403 21.848 -2.644 855 H TYR 98 H TYR 98 3.051 15.768 0.143 856 HA TYR 98 HA TYR 98 3.646 16.226 2.973 857 1HB TYR 98 1HB TYR 98 1.916 14.328 1.285 858 2HB TYR 98 2HB TYR 98 2.172 14.018 2.991 859 HD1 TYR 98 HD1 TYR 98 1.910 16.530 4.334 860 HD2 TYR 98 HD2 TYR 98 -0.224 15.124 0.903 861 HE1 TYR 98 HE1 TYR 98 -0.030 18.073 4.899 862 HE2 TYR 98 HE2 TYR 98 -2.157 16.672 1.480 863 HH TYR 98 HH TYR 98 -2.980 18.057 2.924 864 H GLY 99 H GLY 99 3.887 13.624 0.441 865 1HA GLY 99 1HA GLY 99 6.217 12.753 0.222 866 2HA GLY 99 2HA GLY 99 6.181 12.539 1.961 867 H VAL 100 H VAL 100 6.293 10.290 2.100 868 HA VAL 100 HA VAL 100 4.034 8.872 0.864 869 HB VAL 100 HB VAL 100 6.710 7.623 1.428 870 1HG1 VAL 100 1HG1 VAL 100 6.009 5.946 -0.120 871 2HG1 VAL 100 2HG1 VAL 100 4.640 6.238 0.981 872 3HG1 VAL 100 3HG1 VAL 100 4.626 6.927 -0.661 873 1HG2 VAL 100 1HG2 VAL 100 5.940 9.398 -0.863 874 2HG2 VAL 100 2HG2 VAL 100 7.501 9.225 -0.024 875 3HG2 VAL 100 3HG2 VAL 100 6.969 7.980 -1.180 876 H VAL 101 H VAL 101 3.168 7.077 2.117 877 HA VAL 101 HA VAL 101 4.035 7.044 4.908 878 HB VAL 101 HB VAL 101 2.264 8.588 4.987 879 1HG1 VAL 101 1HG1 VAL 101 0.121 8.340 3.905 880 2HG1 VAL 101 2HG1 VAL 101 1.400 8.130 2.686 881 3HG1 VAL 101 3HG1 VAL 101 0.547 6.709 3.334 882 1HG2 VAL 101 1HG2 VAL 101 1.634 5.811 5.866 883 2HG2 VAL 101 2HG2 VAL 101 1.822 7.303 6.817 884 3HG2 VAL 101 3HG2 VAL 101 0.313 7.002 5.924 885 H ALA 102 H ALA 102 4.668 4.978 5.240 886 HA ALA 102 HA ALA 102 3.531 2.878 3.627 887 1HB ALA 102 1HB ALA 102 5.975 3.390 4.976 888 2HB ALA 102 2HB ALA 102 5.249 1.973 5.773 889 3HB ALA 102 3HB ALA 102 5.541 1.954 4.017 890 H ILE 103 H ILE 103 1.408 2.452 4.183 891 HA ILE 103 HA ILE 103 0.743 2.283 7.000 892 HB ILE 103 HB ILE 103 -1.560 1.818 6.010 893 1HG1 ILE 103 1HG1 ILE 103 -0.347 1.320 3.697 894 2HG1 ILE 103 2HG1 ILE 103 -1.978 1.955 3.781 895 1HG2 ILE 103 1HG2 ILE 103 -0.003 4.343 6.010 896 2HG2 ILE 103 2HG2 ILE 103 -1.561 4.366 5.149 897 3HG2 ILE 103 3HG2 ILE 103 -1.501 3.908 6.868 898 1HD1 ILE 103 1HD1 ILE 103 0.200 4.003 3.838 899 2HD1 ILE 103 2HD1 ILE 103 -0.003 3.115 2.309 900 3HD1 ILE 103 3HD1 ILE 103 -1.367 4.031 2.994 901 H GLU 104 H GLU 104 1.047 0.434 8.107 902 HA GLU 104 HA GLU 104 1.587 -1.954 6.684 903 1HB GLU 104 1HB GLU 104 2.362 -0.995 9.108 904 2HB GLU 104 2HB GLU 104 1.051 -2.034 9.630 905 1HG GLU 104 1HG GLU 104 2.268 -3.744 7.899 906 2HG GLU 104 2HG GLU 104 3.658 -2.768 8.331 907 H ILE 105 H ILE 105 0.022 -3.229 5.801 908 HA ILE 105 HA ILE 105 -2.519 -3.393 7.269 909 HB ILE 105 HB ILE 105 -3.709 -3.447 5.284 910 1HG1 ILE 105 1HG1 ILE 105 -2.366 -5.097 4.090 911 2HG1 ILE 105 2HG1 ILE 105 -2.758 -3.736 3.057 912 1HG2 ILE 105 1HG2 ILE 105 -3.489 -1.277 4.884 913 2HG2 ILE 105 2HG2 ILE 105 -1.956 -1.303 5.789 914 3HG2 ILE 105 3HG2 ILE 105 -1.952 -1.543 4.025 915 1HD1 ILE 105 1HD1 ILE 105 -0.416 -2.798 3.976 916 2HD1 ILE 105 2HD1 ILE 105 -0.105 -4.532 4.233 917 3HD1 ILE 105 3HD1 ILE 105 -0.487 -3.928 2.602 918 H GLU 106 H GLU 106 -3.683 -5.518 6.930 919 HA GLU 106 HA GLU 106 -1.873 -7.666 6.261 920 1HB GLU 106 1HB GLU 106 -2.331 -6.927 8.950 921 2HB GLU 106 2HB GLU 106 -3.355 -8.328 8.699 922 1HG GLU 106 1HG GLU 106 -1.109 -9.033 9.448 923 2HG GLU 106 2HG GLU 106 -1.419 -9.618 7.825 924 HA PRO 107 HA PRO 107 -5.855 -8.621 4.577 925 1HB PRO 107 1HB PRO 107 -4.961 -10.220 2.548 926 2HB PRO 107 2HB PRO 107 -5.138 -8.483 2.393 927 1HG PRO 107 1HG PRO 107 -2.665 -10.074 2.707 928 2HG PRO 107 2HG PRO 107 -2.847 -8.428 2.133 929 1HD PRO 107 1HD PRO 107 -1.931 -9.251 4.724 930 2HD PRO 107 2HD PRO 107 -2.223 -7.608 4.189 931 H LEU 108 H LEU 108 -6.996 -9.779 6.020 932 HA LEU 108 HA LEU 108 -5.953 -12.459 6.528 933 1HB LEU 108 1HB LEU 108 -7.752 -12.391 8.334 934 2HB LEU 108 2HB LEU 108 -6.313 -11.414 8.545 935 HG LEU 108 HG LEU 108 -8.561 -10.016 7.233 936 1HD1 LEU 108 1HD1 LEU 108 -10.104 -10.916 8.627 937 2HD1 LEU 108 2HD1 LEU 108 -8.900 -11.368 9.858 938 3HD1 LEU 108 3HD1 LEU 108 -9.458 -9.682 9.735 939 1HD2 LEU 108 1HD2 LEU 108 -7.241 -8.337 7.831 940 2HD2 LEU 108 2HD2 LEU 108 -7.669 -8.658 9.528 941 3HD2 LEU 108 3HD2 LEU 108 -6.226 -9.418 8.815 942 H GLU 109 H GLU 109 -6.532 -13.202 4.342 943 HA GLU 109 HA GLU 109 -9.365 -13.860 4.287 944 1HB GLU 109 1HB GLU 109 -8.708 -11.979 2.654 945 2HB GLU 109 2HB GLU 109 -7.774 -13.179 1.783 946 1HG GLU 109 1HG GLU 109 -9.717 -13.576 0.647 947 2HG GLU 109 2HG GLU 109 -10.173 -14.510 2.058 948 H TYR 110 H TYR 110 -6.509 -15.097 4.929 949 HA TYR 110 HA TYR 110 -5.533 -17.079 4.753 950 1HB TYR 110 1HB TYR 110 -7.858 -17.834 5.338 951 2HB TYR 110 2HB TYR 110 -8.342 -17.716 3.658 952 HD1 TYR 110 HD1 TYR 110 -6.368 -19.672 6.093 953 HD2 TYR 110 HD2 TYR 110 -7.817 -19.467 2.073 954 HE1 TYR 110 HE1 TYR 110 -5.741 -22.110 5.735 955 HE2 TYR 110 HE2 TYR 110 -7.184 -21.905 1.728 956 HH TYR 110 HH TYR 110 -6.130 -23.889 4.402 Start of MODEL 15 1 HA MET 1 HA MET 1 -14.081 2.823 9.823 2 1HB MET 1 1HB MET 1 -16.172 3.696 7.781 3 2HB MET 1 2HB MET 1 -16.430 2.820 9.276 4 1HG MET 1 1HG MET 1 -15.272 5.164 10.211 5 2HG MET 1 2HG MET 1 -16.169 5.751 8.825 6 1HE MET 1 1HE MET 1 -19.045 6.657 11.022 7 2HE MET 1 2HE MET 1 -17.354 7.171 10.805 8 3HE MET 1 3HE MET 1 -18.363 6.806 9.385 9 H GLU 2 H GLU 2 -15.907 1.399 7.918 10 HA GLU 2 HA GLU 2 -13.958 -0.140 6.672 11 1HB GLU 2 1HB GLU 2 -16.339 -0.800 7.419 12 2HB GLU 2 2HB GLU 2 -16.907 -0.082 5.925 13 1HG GLU 2 1HG GLU 2 -15.496 -1.616 4.599 14 2HG GLU 2 2HG GLU 2 -14.784 -2.274 6.059 15 H TRP 3 H TRP 3 -12.794 0.303 4.855 16 HA TRP 3 HA TRP 3 -13.934 2.244 2.980 17 1HB TRP 3 1HB TRP 3 -11.081 1.290 3.029 18 2HB TRP 3 2HB TRP 3 -11.743 2.738 2.296 19 HD1 TRP 3 HD1 TRP 3 -10.438 1.439 5.637 20 HE1 TRP 3 HE1 TRP 3 -10.248 3.364 7.432 21 HE3 TRP 3 HE3 TRP 3 -12.921 4.942 2.913 22 HZ2 TRP 3 HZ2 TRP 3 -11.136 6.074 7.510 23 HZ3 TRP 3 HZ3 TRP 3 -13.216 7.203 3.922 24 HH2 TRP 3 HH2 TRP 3 -12.371 7.793 6.138 25 H GLU 4 H GLU 4 -14.111 1.704 0.744 26 HA GLU 4 HA GLU 4 -13.749 -1.146 0.230 27 1HB GLU 4 1HB GLU 4 -15.722 -1.130 -1.158 28 2HB GLU 4 2HB GLU 4 -16.156 -0.375 0.363 29 1HG GLU 4 1HG GLU 4 -16.022 1.851 -0.595 30 2HG GLU 4 2HG GLU 4 -15.252 1.252 -2.051 31 H MET 5 H MET 5 -13.064 -1.745 -1.952 32 HA MET 5 HA MET 5 -12.311 0.412 -3.686 33 1HB MET 5 1HB MET 5 -10.417 -0.997 -1.908 34 2HB MET 5 2HB MET 5 -9.965 -1.196 -3.589 35 1HG MET 5 1HG MET 5 -10.285 1.380 -3.811 36 2HG MET 5 2HG MET 5 -10.328 1.414 -2.059 37 1HE MET 5 1HE MET 5 -7.552 0.239 -0.637 38 2HE MET 5 2HE MET 5 -7.133 1.920 -1.048 39 3HE MET 5 3HE MET 5 -8.821 1.486 -0.687 40 H GLY 6 H GLY 6 -11.665 -0.364 -5.862 41 1HA GLY 6 1HA GLY 6 -12.450 -3.178 -6.327 42 2HA GLY 6 2HA GLY 6 -13.017 -1.858 -7.330 43 H LEU 7 H LEU 7 -9.950 -3.342 -6.076 44 HA LEU 7 HA LEU 7 -8.413 -2.173 -8.180 45 1HB LEU 7 1HB LEU 7 -6.658 -3.769 -7.232 46 2HB LEU 7 2HB LEU 7 -7.222 -2.443 -6.234 47 HG LEU 7 HG LEU 7 -8.613 -5.064 -5.921 48 1HD1 LEU 7 1HD1 LEU 7 -5.722 -4.613 -5.312 49 2HD1 LEU 7 2HD1 LEU 7 -6.706 -5.540 -4.154 50 3HD1 LEU 7 3HD1 LEU 7 -6.570 -6.085 -5.843 51 1HD2 LEU 7 1HD2 LEU 7 -8.471 -2.578 -4.548 52 2HD2 LEU 7 2HD2 LEU 7 -9.440 -4.018 -4.152 53 3HD2 LEU 7 3HD2 LEU 7 -7.803 -3.832 -3.476 54 H GLN 8 H GLN 8 -7.501 -5.440 -7.742 55 HA GLN 8 HA GLN 8 -9.197 -6.547 -9.708 56 1HB GLN 8 1HB GLN 8 -7.078 -5.043 -10.745 57 2HB GLN 8 2HB GLN 8 -6.451 -6.679 -10.779 58 1HG GLN 8 1HG GLN 8 -8.649 -7.389 -11.904 59 2HG GLN 8 2HG GLN 8 -9.044 -5.687 -12.045 60 1HE2 GLN 8 1HE2 GLN 8 -8.986 -5.549 -14.220 61 2HE2 GLN 8 2HE2 GLN 8 -7.561 -5.719 -15.189 62 H GLU 9 H GLU 9 -8.550 -8.870 -10.194 63 HA GLU 9 HA GLU 9 -8.000 -10.196 -7.886 64 1HB GLU 9 1HB GLU 9 -9.014 -11.059 -10.096 65 2HB GLU 9 2HB GLU 9 -7.369 -11.295 -10.653 66 1HG GLU 9 1HG GLU 9 -6.914 -12.778 -8.690 67 2HG GLU 9 2HG GLU 9 -8.555 -12.536 -8.124 68 H GLU 10 H GLU 10 -5.748 -9.591 -10.678 69 HA GLU 10 HA GLU 10 -3.564 -10.820 -9.619 70 1HB GLU 10 1HB GLU 10 -4.134 -8.902 -11.745 71 2HB GLU 10 2HB GLU 10 -2.587 -8.545 -11.003 72 1HG GLU 10 1HG GLU 10 -2.166 -11.149 -11.213 73 2HG GLU 10 2HG GLU 10 -3.473 -11.098 -12.379 74 H PHE 11 H PHE 11 -4.800 -7.481 -9.074 75 HA PHE 11 HA PHE 11 -2.558 -6.721 -7.497 76 1HB PHE 11 1HB PHE 11 -4.841 -5.579 -8.769 77 2HB PHE 11 2HB PHE 11 -5.150 -5.335 -7.061 78 HD1 PHE 11 HD1 PHE 11 -4.441 -3.337 -6.177 79 HD2 PHE 11 HD2 PHE 11 -2.276 -4.988 -9.432 80 HE1 PHE 11 HE1 PHE 11 -2.932 -1.331 -6.191 81 HE2 PHE 11 HE2 PHE 11 -0.767 -2.983 -9.446 82 HZ PHE 11 HZ PHE 11 -1.113 -1.178 -7.826 83 H LEU 12 H LEU 12 -5.623 -8.388 -6.927 84 HA LEU 12 HA LEU 12 -5.835 -7.806 -4.183 85 1HB LEU 12 1HB LEU 12 -6.986 -9.846 -6.046 86 2HB LEU 12 2HB LEU 12 -7.201 -10.039 -4.318 87 HG LEU 12 HG LEU 12 -8.027 -7.573 -5.875 88 1HD1 LEU 12 1HD1 LEU 12 -9.357 -10.166 -5.485 89 2HD1 LEU 12 2HD1 LEU 12 -10.349 -8.756 -5.042 90 3HD1 LEU 12 3HD1 LEU 12 -9.658 -8.880 -6.678 91 1HD2 LEU 12 1HD2 LEU 12 -8.363 -6.596 -3.915 92 2HD2 LEU 12 2HD2 LEU 12 -9.438 -7.923 -3.414 93 3HD2 LEU 12 3HD2 LEU 12 -7.690 -8.023 -3.090 94 H GLU 13 H GLU 13 -4.302 -10.498 -6.044 95 HA GLU 13 HA GLU 13 -3.546 -11.922 -3.779 96 1HB GLU 13 1HB GLU 13 -3.653 -12.837 -6.111 97 2HB GLU 13 2HB GLU 13 -2.245 -11.886 -6.538 98 1HG GLU 13 1HG GLU 13 -0.872 -13.482 -5.701 99 2HG GLU 13 2HG GLU 13 -1.617 -13.332 -4.123 100 H LEU 14 H LEU 14 -2.234 -9.066 -5.371 101 HA LEU 14 HA LEU 14 0.409 -9.279 -4.451 102 1HB LEU 14 1HB LEU 14 -1.334 -7.046 -5.437 103 2HB LEU 14 2HB LEU 14 0.253 -6.702 -4.778 104 HG LEU 14 HG LEU 14 -0.456 -8.274 -7.251 105 1HD1 LEU 14 1HD1 LEU 14 1.574 -6.632 -7.937 106 2HD1 LEU 14 2HD1 LEU 14 -0.145 -6.178 -8.026 107 3HD1 LEU 14 3HD1 LEU 14 0.835 -5.683 -6.625 108 1HD2 LEU 14 1HD2 LEU 14 1.126 -9.744 -6.479 109 2HD2 LEU 14 2HD2 LEU 14 2.158 -8.573 -7.335 110 3HD2 LEU 14 3HD2 LEU 14 2.006 -8.497 -5.563 111 H ILE 15 H ILE 15 -2.590 -7.843 -3.061 112 HA ILE 15 HA ILE 15 -1.408 -6.611 -0.880 113 HB ILE 15 HB ILE 15 -4.107 -7.573 -1.627 114 1HG1 ILE 15 1HG1 ILE 15 -4.624 -5.188 -0.904 115 2HG1 ILE 15 2HG1 ILE 15 -2.900 -4.962 -0.686 116 1HG2 ILE 15 1HG2 ILE 15 -3.225 -7.180 1.218 117 2HG2 ILE 15 2HG2 ILE 15 -4.875 -6.740 0.714 118 3HG2 ILE 15 3HG2 ILE 15 -4.301 -8.414 0.519 119 1HD1 ILE 15 1HD1 ILE 15 -2.491 -5.581 -3.053 120 2HD1 ILE 15 2HD1 ILE 15 -4.234 -5.859 -3.283 121 3HD1 ILE 15 3HD1 ILE 15 -3.631 -4.219 -2.941 122 H LYS 16 H LYS 16 -2.586 -9.997 -1.326 123 HA LYS 16 HA LYS 16 -2.005 -10.757 1.328 124 1HB LYS 16 1HB LYS 16 -3.204 -11.894 -0.992 125 2HB LYS 16 2HB LYS 16 -1.935 -12.987 -0.477 126 1HG LYS 16 1HG LYS 16 -2.887 -12.730 1.921 127 2HG LYS 16 2HG LYS 16 -4.272 -11.952 1.182 128 1HD LYS 16 1HD LYS 16 -3.326 -14.658 0.179 129 2HD LYS 16 2HD LYS 16 -4.335 -14.551 1.608 130 1HE LYS 16 1HE LYS 16 -6.140 -13.507 0.381 131 2HE LYS 16 2HE LYS 16 -5.115 -13.190 -1.004 132 1HZ LYS 16 1HZ LYS 16 -6.154 -15.074 -1.651 133 2HZ LYS 16 2HZ LYS 16 -4.858 -15.759 -0.931 134 3HZ LYS 16 3HZ LYS 16 -6.289 -15.697 -0.147 135 H LEU 17 H LEU 17 -0.081 -10.280 -1.571 136 HA LEU 17 HA LEU 17 2.074 -11.938 -0.640 137 1HB LEU 17 1HB LEU 17 1.707 -10.060 -2.966 138 2HB LEU 17 2HB LEU 17 3.243 -10.824 -2.611 139 HG LEU 17 HG LEU 17 0.737 -12.460 -2.989 140 1HD1 LEU 17 1HD1 LEU 17 1.921 -10.810 -4.972 141 2HD1 LEU 17 2HD1 LEU 17 2.341 -12.496 -5.355 142 3HD1 LEU 17 3HD1 LEU 17 0.635 -12.027 -5.159 143 1HD2 LEU 17 1HD2 LEU 17 3.665 -12.990 -2.811 144 2HD2 LEU 17 2HD2 LEU 17 2.284 -13.918 -2.177 145 3HD2 LEU 17 3HD2 LEU 17 2.697 -14.007 -3.906 146 H ARG 18 H ARG 18 1.372 -8.399 -0.957 147 HA ARG 18 HA ARG 18 3.822 -7.736 0.272 148 1HB ARG 18 1HB ARG 18 2.690 -5.398 0.378 149 2HB ARG 18 2HB ARG 18 2.941 -6.087 -1.214 150 1HG ARG 18 1HG ARG 18 0.704 -6.203 -1.629 151 2HG ARG 18 2HG ARG 18 0.376 -6.961 -0.083 152 1HD ARG 18 1HD ARG 18 -0.592 -4.999 0.547 153 2HD ARG 18 2HD ARG 18 1.024 -4.327 0.637 154 HE ARG 18 HE ARG 18 0.479 -4.054 -2.030 155 1HH1 ARG 18 2HH2 ARG 18 -1.389 -3.234 0.837 156 2HH1 ARG 18 1HH2 ARG 18 -2.212 -1.912 0.079 157 1HH2 ARG 18 2HH1 ARG 18 -0.607 -2.310 -3.031 158 2HH2 ARG 18 1HH1 ARG 18 -1.764 -1.383 -2.136 159 H LYS 19 H LYS 19 1.229 -9.286 1.540 160 HA LYS 19 HA LYS 19 0.631 -7.717 3.821 161 1HB LYS 19 1HB LYS 19 -1.079 -9.158 3.378 162 2HB LYS 19 2HB LYS 19 -0.025 -10.429 2.794 163 1HG LYS 19 1HG LYS 19 0.770 -10.735 5.222 164 2HG LYS 19 2HG LYS 19 -0.517 -9.647 5.701 165 1HD LYS 19 1HD LYS 19 -1.971 -11.384 5.683 166 2HD LYS 19 2HD LYS 19 -1.728 -11.553 3.956 167 1HE LYS 19 1HE LYS 19 -0.877 -13.613 4.447 168 2HE LYS 19 2HE LYS 19 0.567 -12.755 4.948 169 1HZ LYS 19 1HZ LYS 19 -0.253 -14.214 6.663 170 2HZ LYS 19 2HZ LYS 19 -0.317 -12.663 7.172 171 3HZ LYS 19 3HZ LYS 19 -1.685 -13.429 6.713 172 H LYS 20 H LYS 20 3.155 -10.038 2.937 173 HA LYS 20 HA LYS 20 4.018 -10.207 5.711 174 1HB LYS 20 1HB LYS 20 5.577 -11.904 4.888 175 2HB LYS 20 2HB LYS 20 3.926 -12.279 4.440 176 1HG LYS 20 1HG LYS 20 4.876 -10.702 2.298 177 2HG LYS 20 2HG LYS 20 6.241 -11.720 2.715 178 1HD LYS 20 1HD LYS 20 3.558 -13.065 2.574 179 2HD LYS 20 2HD LYS 20 4.246 -12.531 1.053 180 1HE LYS 20 1HE LYS 20 5.925 -14.104 1.103 181 2HE LYS 20 2HE LYS 20 6.188 -13.922 2.826 182 1HZ LYS 20 1HZ LYS 20 4.907 -15.658 3.196 183 2HZ LYS 20 2HZ LYS 20 3.665 -15.056 2.323 184 3HZ LYS 20 3HZ LYS 20 4.830 -15.933 1.589 185 H LYS 21 H LYS 21 4.131 -7.833 3.557 186 HA LYS 21 HA LYS 21 6.873 -7.126 4.307 187 1HB LYS 21 1HB LYS 21 5.622 -6.775 1.567 188 2HB LYS 21 2HB LYS 21 7.140 -6.059 2.071 189 1HG LYS 21 1HG LYS 21 8.254 -7.995 1.675 190 2HG LYS 21 2HG LYS 21 7.176 -8.887 2.729 191 1HD LYS 21 1HD LYS 21 5.670 -9.416 0.963 192 2HD LYS 21 2HD LYS 21 6.259 -8.120 -0.058 193 1HE LYS 21 1HE LYS 21 8.562 -9.641 0.336 194 2HE LYS 21 2HE LYS 21 7.314 -10.871 0.291 195 1HZ LYS 21 1HZ LYS 21 6.528 -9.801 -1.776 196 2HZ LYS 21 2HZ LYS 21 7.845 -8.835 -1.756 197 3HZ LYS 21 3HZ LYS 21 8.020 -10.453 -1.900 198 H ILE 22 H ILE 22 5.084 -5.016 2.192 199 HA ILE 22 HA ILE 22 3.606 -3.679 4.204 200 HB ILE 22 HB ILE 22 6.348 -3.088 4.156 201 1HG1 ILE 22 1HG1 ILE 22 4.905 -2.980 6.109 202 2HG1 ILE 22 2HG1 ILE 22 5.744 -1.459 5.880 203 1HG2 ILE 22 1HG2 ILE 22 5.672 -1.708 2.092 204 2HG2 ILE 22 2HG2 ILE 22 4.856 -0.633 3.252 205 3HG2 ILE 22 3HG2 ILE 22 6.610 -0.906 3.375 206 1HD1 ILE 22 1HD1 ILE 22 3.322 -1.146 6.434 207 2HD1 ILE 22 2HD1 ILE 22 3.748 -0.451 4.852 208 3HD1 ILE 22 3HD1 ILE 22 2.892 -2.009 4.938 209 H GLU 23 H GLU 23 3.090 -1.282 3.170 210 HA GLU 23 HA GLU 23 2.905 -1.589 0.304 211 1HB GLU 23 1HB GLU 23 0.559 -1.458 0.171 212 2HB GLU 23 2HB GLU 23 0.809 -2.552 1.517 213 1HG GLU 23 1HG GLU 23 -0.711 -1.101 2.502 214 2HG GLU 23 2HG GLU 23 0.776 -0.288 2.949 215 H GLY 24 H GLY 24 2.904 0.402 -0.808 216 1HA GLY 24 1HA GLY 24 3.462 2.730 0.884 217 2HA GLY 24 2HA GLY 24 3.844 2.536 -0.815 218 H ARG 25 H ARG 25 2.396 4.762 0.547 219 HA ARG 25 HA ARG 25 0.476 5.180 -1.359 220 1HB ARG 25 1HB ARG 25 -0.765 3.387 -0.040 221 2HB ARG 25 2HB ARG 25 -0.753 4.457 1.348 222 1HG ARG 25 1HG ARG 25 -2.882 4.509 -0.084 223 2HG ARG 25 2HG ARG 25 -2.164 6.068 0.271 224 1HD ARG 25 1HD ARG 25 -1.286 6.314 -1.929 225 2HD ARG 25 2HD ARG 25 -1.374 4.596 -2.263 226 HE ARG 25 HE ARG 25 -3.518 6.531 -2.596 227 1HH1 ARG 25 2HH2 ARG 25 -2.858 3.148 -1.889 228 2HH1 ARG 25 1HH2 ARG 25 -4.394 2.595 -2.467 229 1HH2 ARG 25 2HH1 ARG 25 -5.545 5.803 -3.358 230 2HH2 ARG 25 1HH1 ARG 25 -5.933 4.115 -3.308 231 H LEU 26 H LEU 26 1.224 7.314 -1.433 232 HA LEU 26 HA LEU 26 2.181 8.877 0.494 233 1HB LEU 26 1HB LEU 26 2.206 10.285 -1.191 234 2HB LEU 26 2HB LEU 26 1.153 9.216 -2.095 235 HG LEU 26 HG LEU 26 -0.760 10.441 -0.754 236 1HD1 LEU 26 1HD1 LEU 26 0.954 11.687 0.642 237 2HD1 LEU 26 2HD1 LEU 26 1.297 12.653 -0.814 238 3HD1 LEU 26 3HD1 LEU 26 -0.333 12.669 -0.099 239 1HD2 LEU 26 1HD2 LEU 26 -0.721 12.252 -2.585 240 2HD2 LEU 26 2HD2 LEU 26 0.736 11.419 -3.178 241 3HD2 LEU 26 3HD2 LEU 26 -0.811 10.545 -3.082 242 H TYR 27 H TYR 27 1.449 10.281 2.133 243 HA TYR 27 HA TYR 27 -0.908 9.404 3.444 244 1HB TYR 27 1HB TYR 27 1.448 10.535 4.169 245 2HB TYR 27 2HB TYR 27 0.578 12.034 3.911 246 HD1 TYR 27 HD1 TYR 27 -0.788 8.861 5.328 247 HD2 TYR 27 HD2 TYR 27 0.419 12.891 6.104 248 HE1 TYR 27 HE1 TYR 27 -1.756 8.706 7.674 249 HE2 TYR 27 HE2 TYR 27 -0.552 12.723 8.447 250 HH TYR 27 HH TYR 27 -2.705 10.675 9.361 251 H ASP 28 H ASP 28 -2.341 9.840 1.447 252 HA ASP 28 HA ASP 28 -2.856 12.480 0.733 253 1HB ASP 28 1HB ASP 28 -4.747 10.086 0.591 254 2HB ASP 28 2HB ASP 28 -4.872 11.552 -0.361 255 H GLU 29 H GLU 29 -5.504 13.084 0.928 256 HA GLU 29 HA GLU 29 -5.815 13.790 3.590 257 1HB GLU 29 1HB GLU 29 -7.321 14.077 1.063 258 2HB GLU 29 2HB GLU 29 -8.361 14.007 2.471 259 1HG GLU 29 1HG GLU 29 -6.827 15.778 3.546 260 2HG GLU 29 2HG GLU 29 -6.065 15.952 1.977 261 H LYS 30 H LYS 30 -7.280 11.164 1.590 262 HA LYS 30 HA LYS 30 -9.038 10.273 3.598 263 1HB LYS 30 1HB LYS 30 -8.161 9.429 0.920 264 2HB LYS 30 2HB LYS 30 -8.567 8.091 1.975 265 1HG LYS 30 1HG LYS 30 -10.749 9.276 2.534 266 2HG LYS 30 2HG LYS 30 -10.347 10.488 1.334 267 1HD LYS 30 1HD LYS 30 -10.020 7.849 0.161 268 2HD LYS 30 2HD LYS 30 -11.601 7.948 0.910 269 1HE LYS 30 1HE LYS 30 -10.775 10.340 -0.694 270 2HE LYS 30 2HE LYS 30 -11.058 8.873 -1.611 271 1HZ LYS 30 1HZ LYS 30 -13.066 10.128 -1.352 272 2HZ LYS 30 2HZ LYS 30 -13.217 8.711 -0.555 273 3HZ LYS 30 3HZ LYS 30 -12.953 10.091 0.277 274 H ARG 31 H ARG 31 -5.727 9.232 2.566 275 HA ARG 31 HA ARG 31 -5.516 7.134 4.300 276 1HB ARG 31 1HB ARG 31 -3.904 8.173 2.400 277 2HB ARG 31 2HB ARG 31 -3.096 8.871 3.790 278 1HG ARG 31 1HG ARG 31 -1.973 6.815 3.546 279 2HG ARG 31 2HG ARG 31 -3.155 6.444 4.786 280 1HD ARG 31 1HD ARG 31 -4.603 5.905 2.481 281 2HD ARG 31 2HD ARG 31 -2.984 5.455 1.982 282 HE ARG 31 HE ARG 31 -3.538 4.384 4.605 283 1HH1 ARG 31 2HH2 ARG 31 -4.295 3.893 1.204 284 2HH1 ARG 31 1HH2 ARG 31 -4.611 2.199 1.387 285 1HH2 ARG 31 2HH1 ARG 31 -3.953 2.150 4.847 286 2HH2 ARG 31 1HH1 ARG 31 -4.415 1.201 3.473 287 H ARG 32 H ARG 32 -5.217 10.640 4.828 288 HA ARG 32 HA ARG 32 -3.816 10.529 7.213 289 1HB ARG 32 1HB ARG 32 -5.531 12.530 5.777 290 2HB ARG 32 2HB ARG 32 -5.318 12.811 7.494 291 1HG ARG 32 1HG ARG 32 -2.739 12.323 6.905 292 2HG ARG 32 2HG ARG 32 -3.247 12.806 5.299 293 1HD ARG 32 1HD ARG 32 -2.796 14.925 6.073 294 2HD ARG 32 2HD ARG 32 -4.407 14.813 6.751 295 HE ARG 32 HE ARG 32 -2.843 13.659 8.714 296 1HH1 ARG 32 2HH2 ARG 32 -2.690 16.723 6.992 297 2HH1 ARG 32 1HH2 ARG 32 -1.943 17.570 8.305 298 1HH2 ARG 32 2HH1 ARG 32 -1.858 14.776 10.448 299 2HH2 ARG 32 1HH1 ARG 32 -1.467 16.455 10.284 300 H GLN 33 H GLN 33 -7.318 10.356 6.404 301 HA GLN 33 HA GLN 33 -8.119 10.474 9.115 302 1HB GLN 33 1HB GLN 33 -9.393 10.899 6.741 303 2HB GLN 33 2HB GLN 33 -9.940 9.268 7.071 304 1HG GLN 33 1HG GLN 33 -10.809 9.942 9.272 305 2HG GLN 33 2HG GLN 33 -10.125 11.546 9.096 306 1HE2 GLN 33 1HE2 GLN 33 -12.264 9.245 7.429 307 2HE2 GLN 33 2HE2 GLN 33 -13.421 10.397 6.848 308 H ILE 34 H ILE 34 -6.959 7.992 6.934 309 HA ILE 34 HA ILE 34 -8.226 5.775 8.093 310 HB ILE 34 HB ILE 34 -5.707 6.137 6.486 311 1HG1 ILE 34 1HG1 ILE 34 -8.395 4.927 5.777 312 2HG1 ILE 34 2HG1 ILE 34 -7.905 6.566 5.397 313 1HG2 ILE 34 1HG2 ILE 34 -6.822 3.649 7.748 314 2HG2 ILE 34 2HG2 ILE 34 -5.976 3.567 6.184 315 3HG2 ILE 34 3HG2 ILE 34 -5.135 4.203 7.619 316 1HD1 ILE 34 1HD1 ILE 34 -6.875 5.816 3.529 317 2HD1 ILE 34 2HD1 ILE 34 -5.780 4.838 4.535 318 3HD1 ILE 34 3HD1 ILE 34 -7.312 4.144 3.953 319 H LYS 35 H LYS 35 -7.447 4.228 9.634 320 HA LYS 35 HA LYS 35 -5.108 4.986 11.163 321 1HB LYS 35 1HB LYS 35 -6.142 5.378 13.193 322 2HB LYS 35 2HB LYS 35 -7.214 6.194 12.073 323 1HG LYS 35 1HG LYS 35 -8.879 4.966 13.030 324 2HG LYS 35 2HG LYS 35 -8.274 3.632 12.068 325 1HD LYS 35 1HD LYS 35 -6.871 2.843 13.907 326 2HD LYS 35 2HD LYS 35 -7.204 4.281 14.852 327 1HE LYS 35 1HE LYS 35 -9.520 2.555 13.940 328 2HE LYS 35 2HE LYS 35 -8.553 2.028 15.303 329 1HZ LYS 35 1HZ LYS 35 -9.992 4.576 15.066 330 2HZ LYS 35 2HZ LYS 35 -10.321 3.351 16.094 331 3HZ LYS 35 3HZ LYS 35 -8.961 4.233 16.285 332 HA PRO 36 HA PRO 36 -4.843 0.702 11.607 333 1HB PRO 36 1HB PRO 36 -3.619 0.359 14.026 334 2HB PRO 36 2HB PRO 36 -2.755 0.817 12.572 335 1HG PRO 36 1HG PRO 36 -3.503 2.494 14.889 336 2HG PRO 36 2HG PRO 36 -2.302 2.804 13.651 337 1HD PRO 36 1HD PRO 36 -4.908 3.986 13.848 338 2HD PRO 36 2HD PRO 36 -3.752 4.207 12.549 339 H GLY 37 H GLY 37 -6.988 0.042 11.489 340 1HA GLY 37 1HA GLY 37 -7.913 -1.560 13.475 341 2HA GLY 37 2HA GLY 37 -8.525 0.019 13.926 342 H ASP 38 H ASP 38 -8.605 0.901 10.998 343 HA ASP 38 HA ASP 38 -11.251 0.105 10.557 344 1HB ASP 38 1HB ASP 38 -9.195 1.554 8.834 345 2HB ASP 38 2HB ASP 38 -10.839 1.285 8.292 346 H VAL 39 H VAL 39 -11.667 -0.524 7.943 347 HA VAL 39 HA VAL 39 -9.801 -2.662 7.243 348 HB VAL 39 HB VAL 39 -12.803 -2.953 7.473 349 1HG1 VAL 39 1HG1 VAL 39 -12.294 -4.308 5.666 350 2HG1 VAL 39 2HG1 VAL 39 -10.662 -4.685 6.268 351 3HG1 VAL 39 3HG1 VAL 39 -12.086 -5.437 7.026 352 1HG2 VAL 39 1HG2 VAL 39 -11.453 -4.923 8.985 353 2HG2 VAL 39 2HG2 VAL 39 -10.675 -3.370 9.376 354 3HG2 VAL 39 3HG2 VAL 39 -12.432 -3.563 9.586 355 H ILE 40 H ILE 40 -9.648 -3.057 4.993 356 HA ILE 40 HA ILE 40 -11.162 -1.142 3.357 357 HB ILE 40 HB ILE 40 -8.317 -2.043 2.901 358 1HG1 ILE 40 1HG1 ILE 40 -8.792 0.775 3.603 359 2HG1 ILE 40 2HG1 ILE 40 -9.137 -0.342 4.909 360 1HG2 ILE 40 1HG2 ILE 40 -8.264 -0.712 1.043 361 2HG2 ILE 40 2HG2 ILE 40 -9.964 -1.237 0.996 362 3HG2 ILE 40 3HG2 ILE 40 -9.547 0.370 1.636 363 1HD1 ILE 40 1HD1 ILE 40 -6.844 -1.445 4.325 364 2HD1 ILE 40 2HD1 ILE 40 -6.527 0.048 3.409 365 3HD1 ILE 40 3HD1 ILE 40 -6.825 0.126 5.162 366 H SER 41 H SER 41 -12.754 -2.413 2.495 367 HA SER 41 HA SER 41 -12.188 -5.108 1.814 368 1HB SER 41 1HB SER 41 -14.629 -3.428 1.091 369 2HB SER 41 2HB SER 41 -14.530 -5.178 1.077 370 HG SER 41 HG SER 41 -15.402 -3.792 3.076 371 H PHE 42 H PHE 42 -12.166 -6.027 -0.346 372 HA PHE 42 HA PHE 42 -11.835 -4.035 -2.472 373 1HB PHE 42 1HB PHE 42 -10.212 -6.535 -1.728 374 2HB PHE 42 2HB PHE 42 -10.061 -5.776 -3.300 375 HD1 PHE 42 HD1 PHE 42 -10.261 -2.888 -2.362 376 HD2 PHE 42 HD2 PHE 42 -8.024 -6.190 -0.915 377 HE1 PHE 42 HE1 PHE 42 -8.538 -1.315 -1.437 378 HE2 PHE 42 HE2 PHE 42 -6.300 -4.617 0.010 379 HZ PHE 42 HZ PHE 42 -6.578 -2.199 -0.263 380 H GLU 43 H GLU 43 -12.814 -4.529 -4.428 381 HA GLU 43 HA GLU 43 -14.258 -5.472 -5.755 382 1HB GLU 43 1HB GLU 43 -12.829 -8.033 -4.914 383 2HB GLU 43 2HB GLU 43 -13.875 -7.894 -6.313 384 1HG GLU 43 1HG GLU 43 -11.639 -5.892 -6.059 385 2HG GLU 43 2HG GLU 43 -11.199 -7.537 -6.471 386 H GLY 44 H GLY 44 -15.377 -4.892 -3.269 387 1HA GLY 44 1HA GLY 44 -17.472 -5.286 -2.413 388 2HA GLY 44 2HA GLY 44 -17.506 -6.869 -3.163 389 H GLY 45 H GLY 45 -15.609 -8.412 -2.259 390 1HA GLY 45 1HA GLY 45 -14.825 -8.009 0.450 391 2HA GLY 45 2HA GLY 45 -16.225 -9.058 0.349 392 H LYS 46 H LYS 46 -13.850 -8.883 -2.303 393 HA LYS 46 HA LYS 46 -13.375 -11.692 -2.050 394 1HB LYS 46 1HB LYS 46 -13.537 -10.073 -4.168 395 2HB LYS 46 2HB LYS 46 -11.806 -9.966 -3.919 396 1HG LYS 46 1HG LYS 46 -13.049 -12.709 -3.825 397 2HG LYS 46 2HG LYS 46 -12.928 -11.934 -5.392 398 1HD LYS 46 1HD LYS 46 -10.407 -11.446 -4.333 399 2HD LYS 46 2HD LYS 46 -10.778 -13.015 -3.647 400 1HE LYS 46 1HE LYS 46 -11.269 -12.526 -6.599 401 2HE LYS 46 2HE LYS 46 -9.641 -12.852 -6.039 402 1HZ LYS 46 1HZ LYS 46 -10.676 -14.884 -6.591 403 2HZ LYS 46 2HZ LYS 46 -10.546 -14.857 -4.964 404 3HZ LYS 46 3HZ LYS 46 -11.990 -14.574 -5.672 405 H LEU 47 H LEU 47 -11.676 -8.642 -1.279 406 HA LEU 47 HA LEU 47 -9.776 -10.230 0.252 407 1HB LEU 47 1HB LEU 47 -9.029 -9.449 -2.200 408 2HB LEU 47 2HB LEU 47 -8.641 -7.982 -1.323 409 HG LEU 47 HG LEU 47 -6.765 -9.650 -1.624 410 1HD1 LEU 47 1HD1 LEU 47 -7.557 -8.612 1.097 411 2HD1 LEU 47 2HD1 LEU 47 -6.000 -9.422 0.800 412 3HD1 LEU 47 3HD1 LEU 47 -6.404 -7.924 -0.072 413 1HD2 LEU 47 1HD2 LEU 47 -7.878 -11.199 0.682 414 2HD2 LEU 47 2HD2 LEU 47 -8.429 -11.580 -0.967 415 3HD2 LEU 47 3HD2 LEU 47 -6.699 -11.680 -0.561 416 H LYS 48 H LYS 48 -10.062 -9.531 2.296 417 HA LYS 48 HA LYS 48 -10.641 -6.673 2.640 418 1HB LYS 48 1HB LYS 48 -11.280 -8.925 4.563 419 2HB LYS 48 2HB LYS 48 -11.797 -7.254 4.671 420 1HG LYS 48 1HG LYS 48 -12.474 -8.713 2.131 421 2HG LYS 48 2HG LYS 48 -13.339 -9.204 3.574 422 1HD LYS 48 1HD LYS 48 -13.474 -6.443 3.776 423 2HD LYS 48 2HD LYS 48 -13.512 -6.660 2.038 424 1HE LYS 48 1HE LYS 48 -15.791 -6.831 2.554 425 2HE LYS 48 2HE LYS 48 -15.324 -8.520 2.564 426 1HZ LYS 48 1HZ LYS 48 -14.801 -7.819 5.065 427 2HZ LYS 48 2HZ LYS 48 -16.068 -6.835 4.758 428 3HZ LYS 48 3HZ LYS 48 -16.228 -8.451 4.583 429 H VAL 49 H VAL 49 -9.294 -5.420 3.893 430 HA VAL 49 HA VAL 49 -7.196 -6.820 5.370 431 HB VAL 49 HB VAL 49 -5.479 -5.463 4.439 432 1HG1 VAL 49 1HG1 VAL 49 -6.632 -6.044 1.824 433 2HG1 VAL 49 2HG1 VAL 49 -5.240 -6.786 2.650 434 3HG1 VAL 49 3HG1 VAL 49 -6.887 -7.377 2.975 435 1HG2 VAL 49 1HG2 VAL 49 -6.203 -3.969 2.379 436 2HG2 VAL 49 2HG2 VAL 49 -7.757 -3.922 3.245 437 3HG2 VAL 49 3HG2 VAL 49 -6.276 -3.340 4.042 438 H ARG 50 H ARG 50 -6.426 -5.666 7.208 439 HA ARG 50 HA ARG 50 -7.946 -3.244 7.743 440 1HB ARG 50 1HB ARG 50 -8.956 -4.971 9.112 441 2HB ARG 50 2HB ARG 50 -7.395 -5.612 9.584 442 1HG ARG 50 1HG ARG 50 -7.416 -2.832 10.316 443 2HG ARG 50 2HG ARG 50 -8.941 -3.512 10.848 444 1HD ARG 50 1HD ARG 50 -7.324 -5.510 11.697 445 2HD ARG 50 2HD ARG 50 -6.142 -4.216 11.714 446 HE ARG 50 HE ARG 50 -7.178 -3.402 13.631 447 1HH1 ARG 50 2HH2 ARG 50 -9.561 -5.196 11.765 448 2HH1 ARG 50 1HH2 ARG 50 -10.824 -4.981 12.931 449 1HH2 ARG 50 2HH1 ARG 50 -8.843 -3.118 15.170 450 2HH2 ARG 50 1HH1 ARG 50 -10.413 -3.792 14.881 451 H VAL 51 H VAL 51 -6.653 -1.506 8.317 452 HA VAL 51 HA VAL 51 -3.911 -1.630 8.182 453 HB VAL 51 HB VAL 51 -5.537 0.363 9.766 454 1HG1 VAL 51 1HG1 VAL 51 -3.672 1.848 8.578 455 2HG1 VAL 51 2HG1 VAL 51 -3.372 1.021 10.126 456 3HG1 VAL 51 3HG1 VAL 51 -2.781 0.307 8.606 457 1HG2 VAL 51 1HG2 VAL 51 -5.255 1.499 7.303 458 2HG2 VAL 51 2HG2 VAL 51 -5.484 -0.212 6.865 459 3HG2 VAL 51 3HG2 VAL 51 -6.707 0.626 7.852 460 H LYS 52 H LYS 52 -2.217 -1.666 9.736 461 HA LYS 52 HA LYS 52 -3.077 -2.756 12.325 462 1HB LYS 52 1HB LYS 52 -1.013 -3.594 10.383 463 2HB LYS 52 2HB LYS 52 -0.473 -3.550 12.049 464 1HG LYS 52 1HG LYS 52 -3.167 -4.777 11.589 465 2HG LYS 52 2HG LYS 52 -1.804 -5.671 10.946 466 1HD LYS 52 1HD LYS 52 -1.414 -6.479 13.027 467 2HD LYS 52 2HD LYS 52 -0.974 -4.859 13.533 468 1HE LYS 52 1HE LYS 52 -2.724 -5.102 14.999 469 2HE LYS 52 2HE LYS 52 -3.704 -4.639 13.622 470 1HZ LYS 52 1HZ LYS 52 -4.024 -6.942 13.113 471 2HZ LYS 52 2HZ LYS 52 -3.035 -7.414 14.324 472 3HZ LYS 52 3HZ LYS 52 -4.453 -6.680 14.667 473 H ALA 53 H ALA 53 -0.854 -0.550 10.565 474 HA ALA 53 HA ALA 53 -0.828 1.218 12.796 475 1HB ALA 53 1HB ALA 53 0.870 -0.648 13.361 476 2HB ALA 53 2HB ALA 53 1.860 0.035 12.049 477 3HB ALA 53 3HB ALA 53 1.437 1.036 13.459 478 H ILE 54 H ILE 54 0.424 3.234 12.246 479 HA ILE 54 HA ILE 54 0.628 3.490 9.326 480 HB ILE 54 HB ILE 54 -1.292 4.639 10.641 481 1HG1 ILE 54 1HG1 ILE 54 -0.283 6.795 9.068 482 2HG1 ILE 54 2HG1 ILE 54 0.208 5.302 8.292 483 1HG2 ILE 54 1HG2 ILE 54 0.035 5.604 12.424 484 2HG2 ILE 54 2HG2 ILE 54 1.012 6.513 11.245 485 3HG2 ILE 54 3HG2 ILE 54 -0.714 6.895 11.454 486 1HD1 ILE 54 1HD1 ILE 54 -2.238 4.502 8.635 487 2HD1 ILE 54 2HD1 ILE 54 -2.606 6.205 9.002 488 3HD1 ILE 54 3HD1 ILE 54 -1.957 5.758 7.406 489 H ARG 55 H ARG 55 2.336 4.832 8.499 490 HA ARG 55 HA ARG 55 4.284 5.630 10.477 491 1HB ARG 55 1HB ARG 55 4.871 3.812 8.088 492 2HB ARG 55 2HB ARG 55 6.122 4.613 9.016 493 1HG ARG 55 1HG ARG 55 4.440 3.359 10.942 494 2HG ARG 55 2HG ARG 55 4.631 2.184 9.656 495 1HD ARG 55 1HD ARG 55 6.821 1.802 10.183 496 2HD ARG 55 2HD ARG 55 7.182 3.514 10.286 497 HE ARG 55 HE ARG 55 5.616 2.823 12.566 498 1HH1 ARG 55 2HH2 ARG 55 8.807 2.179 11.232 499 2HH1 ARG 55 1HH2 ARG 55 9.542 1.919 12.778 500 1HH2 ARG 55 2HH1 ARG 55 6.585 2.480 14.607 501 2HH2 ARG 55 1HH1 ARG 55 8.269 2.091 14.711 502 H VAL 56 H VAL 56 6.007 7.100 9.462 503 HA VAL 56 HA VAL 56 5.087 8.290 6.953 504 HB VAL 56 HB VAL 56 6.024 10.094 9.126 505 1HG1 VAL 56 1HG1 VAL 56 5.300 11.660 7.711 506 2HG1 VAL 56 2HG1 VAL 56 4.965 10.368 6.534 507 3HG1 VAL 56 3HG1 VAL 56 3.682 10.922 7.636 508 1HG2 VAL 56 1HG2 VAL 56 3.752 10.321 10.046 509 2HG2 VAL 56 2HG2 VAL 56 3.204 8.969 9.025 510 3HG2 VAL 56 3HG2 VAL 56 4.405 8.686 10.308 511 H TYR 57 H TYR 57 6.752 8.990 5.604 512 HA TYR 57 HA TYR 57 9.462 8.775 6.711 513 1HB TYR 57 1HB TYR 57 8.192 7.645 4.145 514 2HB TYR 57 2HB TYR 57 9.930 7.743 4.346 515 HD1 TYR 57 HD1 TYR 57 11.066 5.901 5.205 516 HD2 TYR 57 HD2 TYR 57 6.907 6.370 6.096 517 HE1 TYR 57 HE1 TYR 57 11.052 3.640 6.366 518 HE2 TYR 57 HE2 TYR 57 6.908 4.107 7.254 519 HH TYR 57 HH TYR 57 8.138 2.085 7.248 520 H ASN 58 H ASN 58 11.045 9.565 4.752 521 HA ASN 58 HA ASN 58 10.309 12.267 4.425 522 1HB ASN 58 1HB ASN 58 12.691 10.544 3.914 523 2HB ASN 58 2HB ASN 58 12.532 11.877 2.788 524 1HD2 ASN 58 1HD2 ASN 58 13.487 10.889 5.865 525 2HD2 ASN 58 2HD2 ASN 58 13.804 12.428 6.592 526 H SER 59 H SER 59 10.800 9.382 2.278 527 HA SER 59 HA SER 59 8.896 10.421 0.446 528 1HB SER 59 1HB SER 59 11.472 11.276 -0.028 529 2HB SER 59 2HB SER 59 11.442 9.797 -0.969 530 HG SER 59 HG SER 59 9.379 11.814 -1.167 531 H PHE 60 H PHE 60 8.712 8.783 -1.514 532 HA PHE 60 HA PHE 60 8.283 6.264 -0.470 533 1HB PHE 60 1HB PHE 60 8.437 7.662 -3.128 534 2HB PHE 60 2HB PHE 60 8.632 5.923 -3.226 535 HD1 PHE 60 HD1 PHE 60 6.810 4.607 -1.706 536 HD2 PHE 60 HD2 PHE 60 6.301 8.462 -3.405 537 HE1 PHE 60 HE1 PHE 60 4.318 4.321 -1.609 538 HE2 PHE 60 HE2 PHE 60 3.809 8.176 -3.308 539 HZ PHE 60 HZ PHE 60 2.848 6.109 -2.411 540 H ARG 61 H ARG 61 11.129 7.645 -2.171 541 HA ARG 61 HA ARG 61 12.412 5.315 -2.752 542 1HB ARG 61 1HB ARG 61 13.065 7.725 -3.376 543 2HB ARG 61 2HB ARG 61 13.782 7.871 -1.783 544 1HG ARG 61 1HG ARG 61 15.665 7.126 -2.880 545 2HG ARG 61 2HG ARG 61 14.970 5.552 -2.546 546 1HD ARG 61 1HD ARG 61 15.494 5.509 -4.882 547 2HD ARG 61 2HD ARG 61 13.758 5.738 -4.817 548 HE ARG 61 HE ARG 61 14.616 8.326 -4.878 549 1HH1 ARG 61 2HH2 ARG 61 15.529 5.537 -6.820 550 2HH1 ARG 61 1HH2 ARG 61 15.914 6.479 -8.222 551 1HH2 ARG 61 2HH1 ARG 61 15.124 9.569 -6.727 552 2HH2 ARG 61 1HH1 ARG 61 15.682 8.788 -8.169 553 H GLU 62 H GLU 62 12.558 7.346 0.253 554 HA GLU 62 HA GLU 62 14.439 5.772 1.544 555 1HB GLU 62 1HB GLU 62 12.486 7.899 2.306 556 2HB GLU 62 2HB GLU 62 13.031 6.874 3.619 557 1HG GLU 62 1HG GLU 62 14.761 8.397 3.688 558 2HG GLU 62 2HG GLU 62 15.439 7.337 2.469 559 H MET 63 H MET 63 10.940 5.438 1.082 560 HA MET 63 HA MET 63 10.619 3.575 3.189 561 1HB MET 63 1HB MET 63 8.993 4.762 0.960 562 2HB MET 63 2HB MET 63 8.470 3.175 1.486 563 1HG MET 63 1HG MET 63 8.366 4.004 3.856 564 2HG MET 63 2HG MET 63 8.866 5.595 3.314 565 1HE MET 63 1HE MET 63 6.577 3.590 0.771 566 2HE MET 63 2HE MET 63 6.524 2.731 2.329 567 3HE MET 63 3HE MET 63 5.067 3.547 1.713 568 H LEU 64 H LEU 64 10.907 3.370 -0.417 569 HA LEU 64 HA LEU 64 10.665 0.554 -0.469 570 1HB LEU 64 1HB LEU 64 11.882 2.415 -2.514 571 2HB LEU 64 2HB LEU 64 11.355 0.766 -2.785 572 HG LEU 64 HG LEU 64 9.533 3.058 -2.001 573 1HD1 LEU 64 1HD1 LEU 64 9.603 3.697 -4.124 574 2HD1 LEU 64 2HD1 LEU 64 10.662 2.332 -4.554 575 3HD1 LEU 64 3HD1 LEU 64 8.893 2.129 -4.577 576 1HD2 LEU 64 1HD2 LEU 64 9.108 0.351 -1.666 577 2HD2 LEU 64 2HD2 LEU 64 7.852 1.609 -1.775 578 3HD2 LEU 64 3HD2 LEU 64 8.325 0.694 -3.227 579 H GLU 65 H GLU 65 13.366 2.860 -0.090 580 HA GLU 65 HA GLU 65 15.325 0.846 -0.452 581 1HB GLU 65 1HB GLU 65 15.327 3.740 0.410 582 2HB GLU 65 2HB GLU 65 16.763 2.776 0.691 583 1HG GLU 65 1HG GLU 65 16.046 2.129 -1.952 584 2HG GLU 65 2HG GLU 65 15.696 3.843 -1.841 585 H LYS 66 H LYS 66 13.829 2.555 2.361 586 HA LYS 66 HA LYS 66 15.396 1.047 4.230 587 1HB LYS 66 1HB LYS 66 14.594 3.437 4.529 588 2HB LYS 66 2HB LYS 66 12.984 2.794 4.780 589 1HG LYS 66 1HG LYS 66 13.591 1.683 6.786 590 2HG LYS 66 2HG LYS 66 15.296 1.664 6.381 591 1HD LYS 66 1HD LYS 66 15.562 3.551 7.607 592 2HD LYS 66 2HD LYS 66 14.594 4.413 6.429 593 1HE LYS 66 1HE LYS 66 13.337 4.815 8.351 594 2HE LYS 66 2HE LYS 66 12.544 3.363 7.772 595 1HZ LYS 66 1HZ LYS 66 14.830 2.923 9.456 596 2HZ LYS 66 2HZ LYS 66 13.547 3.611 10.196 597 3HZ LYS 66 3HZ LYS 66 13.381 2.169 9.446 598 H GLU 67 H GLU 67 11.811 1.323 3.671 599 HA GLU 67 HA GLU 67 11.249 -0.968 5.107 600 1HB GLU 67 1HB GLU 67 9.795 1.045 3.838 601 2HB GLU 67 2HB GLU 67 9.357 -0.378 2.913 602 1HG GLU 67 1HG GLU 67 9.135 -0.047 5.941 603 2HG GLU 67 2HG GLU 67 7.804 -0.109 4.802 604 H GLY 68 H GLY 68 11.601 -0.436 1.534 605 1HA GLY 68 1HA GLY 68 12.945 -2.288 0.499 606 2HA GLY 68 2HA GLY 68 11.767 -3.371 1.213 607 H LEU 69 H LEU 69 12.604 -2.009 -1.657 608 HA LEU 69 HA LEU 69 10.295 -0.876 -2.670 609 1HB LEU 69 1HB LEU 69 12.288 -0.624 -3.864 610 2HB LEU 69 2HB LEU 69 12.612 -2.346 -3.888 611 HG LEU 69 HG LEU 69 10.519 -2.557 -5.367 612 1HD1 LEU 69 1HD1 LEU 69 10.483 0.276 -4.873 613 2HD1 LEU 69 2HD1 LEU 69 10.675 -0.033 -6.616 614 3HD1 LEU 69 3HD1 LEU 69 9.301 -0.740 -5.732 615 1HD2 LEU 69 1HD2 LEU 69 12.108 -2.934 -6.865 616 2HD2 LEU 69 2HD2 LEU 69 12.191 -1.186 -7.193 617 3HD2 LEU 69 3HD2 LEU 69 13.249 -1.912 -5.959 618 H GLU 70 H GLU 70 11.421 -4.318 -3.027 619 HA GLU 70 HA GLU 70 8.952 -5.110 -4.084 620 1HB GLU 70 1HB GLU 70 11.511 -6.382 -3.298 621 2HB GLU 70 2HB GLU 70 10.123 -7.436 -3.122 622 1HG GLU 70 1HG GLU 70 9.444 -6.877 -5.493 623 2HG GLU 70 2HG GLU 70 10.899 -5.914 -5.655 624 H ASN 71 H ASN 71 9.958 -4.321 -0.898 625 HA ASN 71 HA ASN 71 8.121 -6.157 0.335 626 1HB ASN 71 1HB ASN 71 9.806 -3.916 1.573 627 2HB ASN 71 2HB ASN 71 8.957 -5.161 2.467 628 1HD2 ASN 71 1HD2 ASN 71 11.284 -5.284 3.237 629 2HD2 ASN 71 2HD2 ASN 71 12.318 -6.436 2.458 630 H VAL 72 H VAL 72 7.724 -3.454 -1.448 631 HA VAL 72 HA VAL 72 5.508 -2.504 0.210 632 HB VAL 72 HB VAL 72 7.546 -0.784 -1.217 633 1HG1 VAL 72 1HG1 VAL 72 5.451 0.289 -1.515 634 2HG1 VAL 72 2HG1 VAL 72 4.930 -0.094 0.144 635 3HG1 VAL 72 3HG1 VAL 72 6.220 1.101 -0.130 636 1HG2 VAL 72 1HG2 VAL 72 8.620 -0.581 0.729 637 2HG2 VAL 72 2HG2 VAL 72 7.110 -0.186 1.584 638 3HG2 VAL 72 3HG2 VAL 72 7.593 -1.886 1.370 639 H LEU 73 H LEU 73 7.137 -2.568 -3.021 640 HA LEU 73 HA LEU 73 4.447 -2.731 -4.187 641 1HB LEU 73 1HB LEU 73 5.692 -0.509 -4.459 642 2HB LEU 73 2HB LEU 73 6.779 -1.377 -5.524 643 HG LEU 73 HG LEU 73 4.456 -2.082 -6.672 644 1HD1 LEU 73 1HD1 LEU 73 3.746 0.077 -4.862 645 2HD1 LEU 73 2HD1 LEU 73 3.390 0.490 -6.557 646 3HD1 LEU 73 3HD1 LEU 73 2.708 -0.989 -5.839 647 1HD2 LEU 73 1HD2 LEU 73 5.549 -1.102 -8.332 648 2HD2 LEU 73 2HD2 LEU 73 5.002 0.485 -7.740 649 3HD2 LEU 73 3HD2 LEU 73 6.549 -0.191 -7.175 650 HA PRO 74 HA PRO 74 6.594 -6.440 -5.372 651 1HB PRO 74 1HB PRO 74 4.404 -8.075 -5.368 652 2HB PRO 74 2HB PRO 74 5.424 -7.836 -3.964 653 1HG PRO 74 1HG PRO 74 2.730 -6.746 -4.503 654 2HG PRO 74 2HG PRO 74 3.575 -6.878 -2.974 655 1HD PRO 74 1HD PRO 74 3.222 -4.501 -4.541 656 2HD PRO 74 2HD PRO 74 4.164 -4.658 -3.072 657 H GLY 75 H GLY 75 7.311 -6.509 -7.398 658 1HA GLY 75 1HA GLY 75 6.576 -7.387 -9.574 659 2HA GLY 75 2HA GLY 75 5.194 -6.315 -9.459 660 H VAL 76 H VAL 76 6.850 -4.132 -8.139 661 HA VAL 76 HA VAL 76 7.339 -2.521 -10.217 662 HB VAL 76 HB VAL 76 7.409 -1.835 -7.901 663 1HG1 VAL 76 1HG1 VAL 76 9.042 -3.994 -7.467 664 2HG1 VAL 76 2HG1 VAL 76 10.197 -2.643 -7.384 665 3HG1 VAL 76 3HG1 VAL 76 8.775 -2.665 -6.314 666 1HG2 VAL 76 1HG2 VAL 76 8.830 -0.721 -9.884 667 2HG2 VAL 76 2HG2 VAL 76 8.817 -0.070 -8.227 668 3HG2 VAL 76 3HG2 VAL 76 10.165 -1.098 -8.768 669 H LYS 77 H LYS 77 9.174 -1.900 -11.512 670 HA LYS 77 HA LYS 77 10.804 -4.190 -12.180 671 1HB LYS 77 1HB LYS 77 10.272 -1.509 -13.461 672 2HB LYS 77 2HB LYS 77 11.572 -2.542 -14.018 673 1HG LYS 77 1HG LYS 77 9.583 -4.395 -13.936 674 2HG LYS 77 2HG LYS 77 8.602 -2.965 -14.186 675 1HD LYS 77 1HD LYS 77 10.885 -2.815 -15.959 676 2HD LYS 77 2HD LYS 77 10.170 -4.406 -16.124 677 1HE LYS 77 1HE LYS 77 8.216 -3.589 -17.044 678 2HE LYS 77 2HE LYS 77 8.202 -2.165 -16.024 679 1HZ LYS 77 1HZ LYS 77 9.816 -2.595 -18.433 680 2HZ LYS 77 2HZ LYS 77 8.660 -1.467 -18.195 681 3HZ LYS 77 3HZ LYS 77 10.085 -1.355 -17.404 682 H SER 78 H SER 78 11.080 -0.963 -10.669 683 HA SER 78 HA SER 78 13.465 -1.747 -9.420 684 1HB SER 78 1HB SER 78 13.825 0.571 -11.349 685 2HB SER 78 2HB SER 78 15.061 -0.278 -10.443 686 HG SER 78 HG SER 78 14.399 -0.774 -12.924 687 H ILE 79 H ILE 79 14.368 0.196 -8.075 688 HA ILE 79 HA ILE 79 12.320 1.306 -6.614 689 HB ILE 79 HB ILE 79 15.192 2.175 -6.938 690 1HG1 ILE 79 1HG1 ILE 79 14.258 -0.200 -5.979 691 2HG1 ILE 79 2HG1 ILE 79 15.775 0.545 -5.514 692 1HG2 ILE 79 1HG2 ILE 79 14.058 4.046 -6.022 693 2HG2 ILE 79 2HG2 ILE 79 13.091 3.021 -4.935 694 3HG2 ILE 79 3HG2 ILE 79 14.840 3.207 -4.660 695 1HD1 ILE 79 1HD1 ILE 79 14.830 1.493 -3.518 696 2HD1 ILE 79 2HD1 ILE 79 13.169 1.168 -4.068 697 3HD1 ILE 79 3HD1 ILE 79 14.229 -0.181 -3.592 698 H GLU 80 H GLU 80 14.110 2.597 -9.452 699 HA GLU 80 HA GLU 80 13.020 5.150 -9.292 700 1HB GLU 80 1HB GLU 80 14.693 3.614 -11.117 701 2HB GLU 80 2HB GLU 80 13.541 4.572 -12.027 702 1HG GLU 80 1HG GLU 80 14.655 6.138 -9.817 703 2HG GLU 80 2HG GLU 80 15.940 5.481 -10.811 704 H GLU 81 H GLU 81 11.986 2.142 -10.996 705 HA GLU 81 HA GLU 81 9.898 3.339 -12.386 706 1HB GLU 81 1HB GLU 81 10.846 0.600 -11.795 707 2HB GLU 81 2HB GLU 81 9.110 0.694 -12.015 708 1HG GLU 81 1HG GLU 81 10.813 2.182 -13.998 709 2HG GLU 81 2HG GLU 81 10.832 0.432 -14.093 710 H GLY 82 H GLY 82 10.154 1.887 -9.114 711 1HA GLY 82 1HA GLY 82 7.475 1.661 -8.457 712 2HA GLY 82 2HA GLY 82 8.784 1.974 -7.335 713 H ILE 83 H ILE 83 9.713 4.494 -8.004 714 HA ILE 83 HA ILE 83 7.853 6.154 -6.804 715 HB ILE 83 HB ILE 83 10.337 6.646 -8.422 716 1HG1 ILE 83 1HG1 ILE 83 10.110 7.445 -5.581 717 2HG1 ILE 83 2HG1 ILE 83 10.015 5.721 -5.878 718 1HG2 ILE 83 1HG2 ILE 83 8.257 8.572 -7.729 719 2HG2 ILE 83 2HG2 ILE 83 9.845 9.000 -7.049 720 3HG2 ILE 83 3HG2 ILE 83 9.668 8.738 -8.801 721 1HD1 ILE 83 1HD1 ILE 83 12.373 6.979 -5.589 722 2HD1 ILE 83 2HD1 ILE 83 12.188 5.586 -6.682 723 3HD1 ILE 83 3HD1 ILE 83 12.160 7.241 -7.337 724 H GLN 84 H GLN 84 8.496 5.424 -10.256 725 HA GLN 84 HA GLN 84 6.970 7.475 -11.300 726 1HB GLN 84 1HB GLN 84 8.055 4.866 -12.261 727 2HB GLN 84 2HB GLN 84 6.706 5.500 -13.183 728 1HG GLN 84 1HG GLN 84 9.263 7.039 -12.527 729 2HG GLN 84 2HG GLN 84 8.908 6.289 -14.070 730 1HE2 GLN 84 1HE2 GLN 84 9.261 9.131 -12.981 731 2HE2 GLN 84 2HE2 GLN 84 7.947 10.033 -13.659 732 H VAL 85 H VAL 85 6.103 4.128 -10.265 733 HA VAL 85 HA VAL 85 3.494 4.124 -11.210 734 HB VAL 85 HB VAL 85 5.055 2.689 -9.116 735 1HG1 VAL 85 1HG1 VAL 85 2.857 1.296 -8.780 736 2HG1 VAL 85 2HG1 VAL 85 3.136 2.770 -7.821 737 3HG1 VAL 85 3HG1 VAL 85 2.053 2.818 -9.234 738 1HG2 VAL 85 1HG2 VAL 85 4.619 2.257 -11.768 739 2HG2 VAL 85 2HG2 VAL 85 5.034 0.981 -10.598 740 3HG2 VAL 85 3HG2 VAL 85 3.335 1.254 -11.052 741 H TYR 86 H TYR 86 4.974 5.537 -8.274 742 HA TYR 86 HA TYR 86 2.469 6.124 -7.047 743 1HB TYR 86 1HB TYR 86 5.267 7.374 -6.730 744 2HB TYR 86 2HB TYR 86 4.007 7.374 -5.512 745 HD1 TYR 86 HD1 TYR 86 3.349 4.303 -6.411 746 HD2 TYR 86 HD2 TYR 86 6.768 6.425 -4.957 747 HE1 TYR 86 HE1 TYR 86 4.286 2.146 -5.446 748 HE2 TYR 86 HE2 TYR 86 7.693 4.260 -3.996 749 HH TYR 86 HH TYR 86 6.793 1.354 -4.911 750 H ARG 87 H ARG 87 4.548 7.673 -9.453 751 HA ARG 87 HA ARG 87 3.501 10.252 -9.015 752 1HB ARG 87 1HB ARG 87 5.466 8.962 -10.771 753 2HB ARG 87 2HB ARG 87 4.491 10.100 -11.680 754 1HG ARG 87 1HG ARG 87 6.395 11.315 -10.791 755 2HG ARG 87 2HG ARG 87 4.973 11.855 -9.921 756 1HD ARG 87 1HD ARG 87 5.616 10.822 -7.930 757 2HD ARG 87 2HD ARG 87 6.455 9.518 -8.746 758 HE ARG 87 HE ARG 87 7.652 11.940 -7.816 759 1HH1 ARG 87 2HH2 ARG 87 7.710 9.830 -10.631 760 2HH1 ARG 87 1HH2 ARG 87 9.334 10.244 -11.068 761 1HH2 ARG 87 2HH1 ARG 87 9.795 12.487 -8.391 762 2HH2 ARG 87 1HH1 ARG 87 10.528 11.766 -9.785 763 H ARG 88 H ARG 88 2.810 7.491 -11.216 764 HA ARG 88 HA ARG 88 1.121 8.827 -12.928 765 1HB ARG 88 1HB ARG 88 1.013 5.901 -12.033 766 2HB ARG 88 2HB ARG 88 0.236 6.538 -13.469 767 1HG ARG 88 1HG ARG 88 2.310 6.970 -14.560 768 2HG ARG 88 2HG ARG 88 3.216 6.939 -13.060 769 1HD ARG 88 1HD ARG 88 3.651 4.733 -13.367 770 2HD ARG 88 2HD ARG 88 1.936 4.380 -13.292 771 HE ARG 88 HE ARG 88 2.369 5.373 -15.884 772 1HH1 ARG 88 2HH2 ARG 88 3.546 2.672 -13.960 773 2HH1 ARG 88 1HH2 ARG 88 3.821 1.650 -15.331 774 1HH2 ARG 88 2HH1 ARG 88 2.730 4.025 -17.693 775 2HH2 ARG 88 1HH1 ARG 88 3.353 2.424 -17.469 776 H PHE 89 H PHE 89 0.474 6.986 -9.872 777 HA PHE 89 HA PHE 89 -2.332 7.584 -10.007 778 1HB PHE 89 1HB PHE 89 -0.458 6.401 -7.870 779 2HB PHE 89 2HB PHE 89 -2.204 6.408 -7.726 780 HD1 PHE 89 HD1 PHE 89 0.120 4.158 -8.040 781 HD2 PHE 89 HD2 PHE 89 -3.031 5.652 -10.458 782 HE1 PHE 89 HE1 PHE 89 0.012 1.964 -9.255 783 HE2 PHE 89 HE2 PHE 89 -3.139 3.459 -11.673 784 HZ PHE 89 HZ PHE 89 -1.616 1.641 -11.057 785 H TYR 90 H TYR 90 0.425 8.424 -7.787 786 HA TYR 90 HA TYR 90 -1.221 10.597 -6.727 787 1HB TYR 90 1HB TYR 90 1.574 9.890 -5.791 788 2HB TYR 90 2HB TYR 90 0.181 10.313 -4.817 789 HD1 TYR 90 HD1 TYR 90 2.286 7.922 -4.672 790 HD2 TYR 90 HD2 TYR 90 -1.775 8.271 -5.974 791 HE1 TYR 90 HE1 TYR 90 1.899 5.464 -4.149 792 HE2 TYR 90 HE2 TYR 90 -2.147 5.812 -5.447 793 HH TYR 90 HH TYR 90 0.533 3.787 -4.306 794 H ASP 91 H ASP 91 -0.426 12.770 -6.615 795 HA ASP 91 HA ASP 91 1.033 13.490 -8.896 796 1HB ASP 91 1HB ASP 91 0.555 15.268 -6.475 797 2HB ASP 91 2HB ASP 91 0.701 15.760 -8.150 798 H GLU 92 H GLU 92 3.167 14.601 -8.926 799 HA GLU 92 HA GLU 92 4.960 13.430 -7.080 800 1HB GLU 92 1HB GLU 92 5.648 13.699 -9.390 801 2HB GLU 92 2HB GLU 92 5.319 15.419 -9.357 802 1HG GLU 92 1HG GLU 92 7.143 14.785 -7.193 803 2HG GLU 92 2HG GLU 92 7.762 14.075 -8.671 804 H GLU 93 H GLU 93 3.421 16.618 -7.535 805 HA GLU 93 HA GLU 93 5.144 17.922 -5.712 806 1HB GLU 93 1HB GLU 93 3.245 18.701 -7.622 807 2HB GLU 93 2HB GLU 93 2.504 19.166 -6.104 808 1HG GLU 93 1HG GLU 93 5.265 19.902 -5.909 809 2HG GLU 93 2HG GLU 93 4.731 20.412 -7.498 810 H LYS 94 H LYS 94 1.725 16.704 -5.584 811 HA LYS 94 HA LYS 94 1.194 17.447 -2.980 812 1HB LYS 94 1HB LYS 94 -0.745 16.292 -3.250 813 2HB LYS 94 2HB LYS 94 -0.259 16.377 -4.931 814 1HG LYS 94 1HG LYS 94 0.731 14.125 -4.817 815 2HG LYS 94 2HG LYS 94 0.439 14.042 -3.092 816 1HD LYS 94 1HD LYS 94 -1.793 14.386 -5.146 817 2HD LYS 94 2HD LYS 94 -1.272 12.822 -4.552 818 1HE LYS 94 1HE LYS 94 -2.759 13.105 -2.853 819 2HE LYS 94 2HE LYS 94 -1.639 14.279 -2.190 820 1HZ LYS 94 1HZ LYS 94 -4.142 14.803 -3.002 821 2HZ LYS 94 2HZ LYS 94 -2.981 15.926 -2.761 822 3HZ LYS 94 3HZ LYS 94 -3.261 15.351 -4.263 823 H GLU 95 H GLU 95 2.853 14.537 -4.296 824 HA GLU 95 HA GLU 95 3.000 13.223 -1.848 825 1HB GLU 95 1HB GLU 95 3.387 12.318 -4.247 826 2HB GLU 95 2HB GLU 95 5.018 12.943 -4.105 827 1HG GLU 95 1HG GLU 95 4.117 11.336 -1.764 828 2HG GLU 95 2HG GLU 95 4.212 10.432 -3.263 829 H LYS 96 H LYS 96 5.398 15.285 -3.635 830 HA LYS 96 HA LYS 96 7.353 15.141 -1.625 831 1HB LYS 96 1HB LYS 96 6.866 16.992 -3.960 832 2HB LYS 96 2HB LYS 96 8.202 17.244 -2.856 833 1HG LYS 96 1HG LYS 96 8.785 14.732 -3.277 834 2HG LYS 96 2HG LYS 96 7.682 14.831 -4.635 835 1HD LYS 96 1HD LYS 96 9.189 15.973 -5.903 836 2HD LYS 96 2HD LYS 96 9.512 17.122 -4.620 837 1HE LYS 96 1HE LYS 96 10.794 14.927 -3.598 838 2HE LYS 96 2HE LYS 96 10.955 14.588 -5.310 839 1HZ LYS 96 1HZ LYS 96 12.156 16.491 -5.636 840 2HZ LYS 96 2HZ LYS 96 11.580 17.254 -4.313 841 3HZ LYS 96 3HZ LYS 96 12.676 16.055 -4.151 842 H LYS 97 H LYS 97 4.283 16.679 -1.733 843 HA LYS 97 HA LYS 97 4.956 18.948 -0.156 844 1HB LYS 97 1HB LYS 97 2.802 18.167 -1.701 845 2HB LYS 97 2HB LYS 97 2.169 18.023 -0.074 846 1HG LYS 97 1HG LYS 97 1.938 20.273 0.031 847 2HG LYS 97 2HG LYS 97 3.674 20.454 -0.126 848 1HD LYS 97 1HD LYS 97 3.197 21.534 -2.081 849 2HD LYS 97 2HD LYS 97 2.974 19.927 -2.745 850 1HE LYS 97 1HE LYS 97 0.796 20.410 -3.151 851 2HE LYS 97 2HE LYS 97 0.521 20.579 -1.429 852 1HZ LYS 97 1HZ LYS 97 0.698 22.587 -3.384 853 2HZ LYS 97 2HZ LYS 97 0.196 22.705 -1.834 854 3HZ LYS 97 3HZ LYS 97 1.780 22.875 -2.195 855 H TYR 98 H TYR 98 3.267 15.806 0.543 856 HA TYR 98 HA TYR 98 3.745 16.306 3.384 857 1HB TYR 98 1HB TYR 98 2.144 14.234 1.755 858 2HB TYR 98 2HB TYR 98 2.127 14.312 3.505 859 HD1 TYR 98 HD1 TYR 98 0.243 15.073 0.744 860 HD2 TYR 98 HD2 TYR 98 1.642 16.924 4.339 861 HE1 TYR 98 HE1 TYR 98 -1.691 16.720 0.657 862 HE2 TYR 98 HE2 TYR 98 -0.298 18.564 4.240 863 HH TYR 98 HH TYR 98 -2.385 18.827 3.322 864 H GLY 99 H GLY 99 4.046 13.630 0.936 865 1HA GLY 99 1HA GLY 99 6.368 12.695 0.882 866 2HA GLY 99 2HA GLY 99 6.207 12.510 2.617 867 H VAL 100 H VAL 100 6.239 10.261 2.793 868 HA VAL 100 HA VAL 100 3.938 8.919 1.569 869 HB VAL 100 HB VAL 100 6.596 7.557 1.854 870 1HG1 VAL 100 1HG1 VAL 100 4.388 7.109 -0.171 871 2HG1 VAL 100 2HG1 VAL 100 5.733 6.024 0.254 872 3HG1 VAL 100 3HG1 VAL 100 4.422 6.316 1.422 873 1HG2 VAL 100 1HG2 VAL 100 7.447 9.115 0.437 874 2HG2 VAL 100 2HG2 VAL 100 6.597 8.136 -0.783 875 3HG2 VAL 100 3HG2 VAL 100 5.844 9.620 -0.150 876 H VAL 101 H VAL 101 3.209 7.008 2.787 877 HA VAL 101 HA VAL 101 4.262 6.897 5.511 878 HB VAL 101 HB VAL 101 1.802 6.720 6.227 879 1HG1 VAL 101 1HG1 VAL 101 2.560 8.606 7.175 880 2HG1 VAL 101 2HG1 VAL 101 3.511 9.049 5.736 881 3HG1 VAL 101 3HG1 VAL 101 1.781 9.461 5.822 882 1HG2 VAL 101 1HG2 VAL 101 0.137 7.181 4.799 883 2HG2 VAL 101 2HG2 VAL 101 0.984 8.600 4.138 884 3HG2 VAL 101 3HG2 VAL 101 1.340 6.975 3.504 885 H ALA 102 H ALA 102 5.062 4.851 5.571 886 HA ALA 102 HA ALA 102 3.892 2.780 3.991 887 1HB ALA 102 1HB ALA 102 5.880 2.396 6.238 888 2HB ALA 102 2HB ALA 102 5.729 1.499 4.709 889 3HB ALA 102 3HB ALA 102 6.368 3.160 4.706 890 H ILE 103 H ILE 103 1.785 2.298 4.584 891 HA ILE 103 HA ILE 103 1.271 1.868 7.420 892 HB ILE 103 HB ILE 103 -0.640 1.911 5.083 893 1HG1 ILE 103 1HG1 ILE 103 -0.857 4.190 6.825 894 2HG1 ILE 103 2HG1 ILE 103 0.794 4.066 6.252 895 1HG2 ILE 103 1HG2 ILE 103 -2.363 2.209 6.802 896 2HG2 ILE 103 2HG2 ILE 103 -1.490 0.670 7.002 897 3HG2 ILE 103 3HG2 ILE 103 -1.127 2.046 8.072 898 1HD1 ILE 103 1HD1 ILE 103 0.095 4.068 3.935 899 2HD1 ILE 103 2HD1 ILE 103 -1.612 3.859 4.392 900 3HD1 ILE 103 3HD1 ILE 103 -0.778 5.391 4.743 901 H GLU 104 H GLU 104 1.323 -0.128 8.299 902 HA GLU 104 HA GLU 104 1.736 -2.329 6.527 903 1HB GLU 104 1HB GLU 104 2.918 -1.896 8.790 904 2HB GLU 104 2HB GLU 104 1.442 -2.456 9.551 905 1HG GLU 104 1HG GLU 104 1.613 -4.631 8.410 906 2HG GLU 104 2HG GLU 104 2.986 -4.077 7.474 907 H ILE 105 H ILE 105 -0.029 -3.203 5.514 908 HA ILE 105 HA ILE 105 -2.528 -3.307 7.025 909 HB ILE 105 HB ILE 105 -3.653 -3.376 5.008 910 1HG1 ILE 105 1HG1 ILE 105 -2.386 -5.241 4.011 911 2HG1 ILE 105 2HG1 ILE 105 -2.726 -3.964 2.859 912 1HG2 ILE 105 1HG2 ILE 105 -1.202 -1.635 4.701 913 2HG2 ILE 105 2HG2 ILE 105 -2.578 -1.588 3.573 914 3HG2 ILE 105 3HG2 ILE 105 -2.819 -1.180 5.289 915 1HD1 ILE 105 1HD1 ILE 105 -0.450 -4.440 2.456 916 2HD1 ILE 105 2HD1 ILE 105 -0.366 -3.026 3.534 917 3HD1 ILE 105 3HD1 ILE 105 -0.092 -4.659 4.186 918 H GLU 106 H GLU 106 -3.841 -5.338 6.849 919 HA GLU 106 HA GLU 106 -2.234 -7.675 6.319 920 1HB GLU 106 1HB GLU 106 -3.082 -8.663 8.559 921 2HB GLU 106 2HB GLU 106 -1.753 -7.524 8.629 922 1HG GLU 106 1HG GLU 106 -3.134 -5.756 9.424 923 2HG GLU 106 2HG GLU 106 -4.607 -6.523 8.862 924 HA PRO 107 HA PRO 107 -6.275 -8.469 4.738 925 1HB PRO 107 1HB PRO 107 -5.555 -10.447 2.995 926 2HB PRO 107 2HB PRO 107 -5.519 -8.745 2.580 927 1HG PRO 107 1HG PRO 107 -3.261 -10.550 3.200 928 2HG PRO 107 2HG PRO 107 -3.234 -8.998 2.386 929 1HD PRO 107 1HD PRO 107 -2.459 -9.527 5.096 930 2HD PRO 107 2HD PRO 107 -2.543 -7.959 4.317 931 H LEU 108 H LEU 108 -7.799 -9.422 5.915 932 HA LEU 108 HA LEU 108 -6.982 -11.961 7.118 933 1HB LEU 108 1HB LEU 108 -9.240 -11.381 8.401 934 2HB LEU 108 2HB LEU 108 -7.663 -10.805 8.904 935 HG LEU 108 HG LEU 108 -9.467 -9.085 8.959 936 1HD1 LEU 108 1HD1 LEU 108 -6.809 -8.845 8.125 937 2HD1 LEU 108 2HD1 LEU 108 -7.739 -7.816 7.010 938 3HD1 LEU 108 3HD1 LEU 108 -7.862 -7.561 8.767 939 1HD2 LEU 108 1HD2 LEU 108 -10.909 -9.191 7.238 940 2HD2 LEU 108 2HD2 LEU 108 -9.734 -8.126 6.431 941 3HD2 LEU 108 3HD2 LEU 108 -9.702 -9.880 6.125 942 H GLU 109 H GLU 109 -7.305 -12.531 4.601 943 HA GLU 109 HA GLU 109 -10.089 -13.379 4.382 944 1HB GLU 109 1HB GLU 109 -9.005 -11.673 2.659 945 2HB GLU 109 2HB GLU 109 -8.283 -13.115 1.973 946 1HG GLU 109 1HG GLU 109 -10.274 -13.072 0.771 947 2HG GLU 109 2HG GLU 109 -10.773 -14.068 2.124 948 H TYR 110 H TYR 110 -9.002 -14.927 1.866 949 HA TYR 110 HA TYR 110 -8.366 -17.318 3.377 950 1HB TYR 110 1HB TYR 110 -9.393 -16.428 0.701 951 2HB TYR 110 2HB TYR 110 -8.339 -17.824 0.598 952 HD1 TYR 110 HD1 TYR 110 -8.961 -19.470 2.868 953 HD2 TYR 110 HD2 TYR 110 -11.608 -17.078 0.507 954 HE1 TYR 110 HE1 TYR 110 -10.905 -20.979 3.506 955 HE2 TYR 110 HE2 TYR 110 -13.544 -18.595 1.154 956 HH TYR 110 HH TYR 110 -14.007 -20.135 3.224 Start of MODEL 16 1 HA MET 1 HA MET 1 -15.068 1.309 10.977 2 1HB MET 1 1HB MET 1 -17.341 1.406 10.004 3 2HB MET 1 2HB MET 1 -16.967 2.962 10.716 4 1HG MET 1 1HG MET 1 -16.490 3.948 8.551 5 2HG MET 1 2HG MET 1 -16.473 2.383 7.763 6 1HE MET 1 1HE MET 1 -17.973 4.574 6.538 7 2HE MET 1 2HE MET 1 -19.717 4.728 6.856 8 3HE MET 1 3HE MET 1 -18.541 5.452 7.978 9 H GLU 2 H GLU 2 -16.586 -0.057 8.958 10 HA GLU 2 HA GLU 2 -14.496 -1.267 7.583 11 1HB GLU 2 1HB GLU 2 -16.576 -2.442 8.211 12 2HB GLU 2 2HB GLU 2 -17.510 -1.421 7.135 13 1HG GLU 2 1HG GLU 2 -15.644 -2.333 5.362 14 2HG GLU 2 2HG GLU 2 -15.656 -3.685 6.476 15 H TRP 3 H TRP 3 -13.338 -0.304 5.966 16 HA TRP 3 HA TRP 3 -14.699 1.595 4.236 17 1HB TRP 3 1HB TRP 3 -11.781 0.867 4.165 18 2HB TRP 3 2HB TRP 3 -12.562 2.320 3.573 19 HD1 TRP 3 HD1 TRP 3 -11.127 0.821 6.776 20 HE1 TRP 3 HE1 TRP 3 -11.060 2.583 8.739 21 HE3 TRP 3 HE3 TRP 3 -13.886 4.365 4.392 22 HZ2 TRP 3 HZ2 TRP 3 -12.144 5.203 9.067 23 HZ3 TRP 3 HZ3 TRP 3 -14.336 6.496 5.604 24 HH2 TRP 3 HH2 TRP 3 -13.515 6.943 7.862 25 H GLU 4 H GLU 4 -14.725 1.323 1.909 26 HA GLU 4 HA GLU 4 -14.087 -1.388 1.061 27 1HB GLU 4 1HB GLU 4 -16.164 -1.402 -0.325 28 2HB GLU 4 2HB GLU 4 -16.506 -1.323 1.392 29 1HG GLU 4 1HG GLU 4 -16.522 1.295 1.020 30 2HG GLU 4 2HG GLU 4 -16.715 0.889 -0.674 31 H MET 5 H MET 5 -12.796 -1.434 -0.738 32 HA MET 5 HA MET 5 -12.846 0.957 -2.408 33 1HB MET 5 1HB MET 5 -10.399 -0.712 -1.598 34 2HB MET 5 2HB MET 5 -10.357 0.678 -2.663 35 1HG MET 5 1HG MET 5 -11.721 1.529 -0.291 36 2HG MET 5 2HG MET 5 -10.324 0.616 0.246 37 1HE MET 5 1HE MET 5 -9.637 2.710 1.375 38 2HE MET 5 2HE MET 5 -8.110 2.069 0.722 39 3HE MET 5 3HE MET 5 -8.464 3.810 0.611 40 H GLY 6 H GLY 6 -11.058 0.138 -4.406 41 1HA GLY 6 1HA GLY 6 -11.887 -2.513 -5.300 42 2HA GLY 6 2HA GLY 6 -12.446 -1.152 -6.252 43 H LEU 7 H LEU 7 -10.541 -3.326 -7.003 44 HA LEU 7 HA LEU 7 -8.683 -1.761 -8.371 45 1HB LEU 7 1HB LEU 7 -6.632 -2.778 -7.178 46 2HB LEU 7 2HB LEU 7 -7.384 -1.324 -6.551 47 HG LEU 7 HG LEU 7 -8.401 -3.864 -5.411 48 1HD1 LEU 7 1HD1 LEU 7 -6.294 -3.693 -3.799 49 2HD1 LEU 7 2HD1 LEU 7 -6.292 -4.710 -5.260 50 3HD1 LEU 7 3HD1 LEU 7 -5.519 -3.108 -5.290 51 1HD2 LEU 7 1HD2 LEU 7 -9.252 -2.296 -4.078 52 2HD2 LEU 7 2HD2 LEU 7 -7.623 -2.147 -3.376 53 3HD2 LEU 7 3HD2 LEU 7 -8.132 -1.054 -4.685 54 H GLN 8 H GLN 8 -7.164 -3.166 -9.659 55 HA GLN 8 HA GLN 8 -8.525 -5.194 -10.828 56 1HB GLN 8 1HB GLN 8 -5.925 -4.003 -11.029 57 2HB GLN 8 2HB GLN 8 -5.690 -5.739 -11.030 58 1HG GLN 8 1HG GLN 8 -7.373 -5.976 -12.860 59 2HG GLN 8 2HG GLN 8 -7.637 -4.243 -12.850 60 1HE2 GLN 8 1HE2 GLN 8 -6.278 -6.534 -14.573 61 2HE2 GLN 8 2HE2 GLN 8 -4.879 -5.752 -15.229 62 H GLU 9 H GLU 9 -8.647 -7.458 -10.616 63 HA GLU 9 HA GLU 9 -8.495 -8.486 -8.103 64 1HB GLU 9 1HB GLU 9 -9.769 -9.452 -10.036 65 2HB GLU 9 2HB GLU 9 -8.263 -10.021 -10.730 66 1HG GLU 9 1HG GLU 9 -8.168 -10.969 -8.081 67 2HG GLU 9 2HG GLU 9 -9.852 -11.162 -8.525 68 H GLU 10 H GLU 10 -6.007 -8.347 -10.671 69 HA GLU 10 HA GLU 10 -4.261 -10.178 -9.550 70 1HB GLU 10 1HB GLU 10 -4.224 -8.146 -11.665 71 2HB GLU 10 2HB GLU 10 -2.675 -8.245 -10.852 72 1HG GLU 10 1HG GLU 10 -3.005 -10.866 -11.119 73 2HG GLU 10 2HG GLU 10 -4.161 -10.415 -12.357 74 H PHE 11 H PHE 11 -4.901 -6.734 -8.875 75 HA PHE 11 HA PHE 11 -2.556 -6.351 -7.322 76 1HB PHE 11 1HB PHE 11 -4.869 -4.917 -8.347 77 2HB PHE 11 2HB PHE 11 -4.816 -4.634 -6.618 78 HD1 PHE 11 HD1 PHE 11 -2.346 -4.047 -5.727 79 HD2 PHE 11 HD2 PHE 11 -3.740 -3.427 -9.687 80 HE1 PHE 11 HE1 PHE 11 -0.592 -2.285 -6.069 81 HE2 PHE 11 HE2 PHE 11 -1.985 -1.665 -10.029 82 HZ PHE 11 HZ PHE 11 -0.432 -1.115 -8.216 83 H LEU 12 H LEU 12 -5.963 -7.293 -6.655 84 HA LEU 12 HA LEU 12 -5.951 -6.987 -3.917 85 1HB LEU 12 1HB LEU 12 -7.438 -8.659 -5.879 86 2HB LEU 12 2HB LEU 12 -7.572 -9.087 -4.185 87 HG LEU 12 HG LEU 12 -8.126 -6.526 -3.881 88 1HD1 LEU 12 1HD1 LEU 12 -7.648 -5.853 -6.169 89 2HD1 LEU 12 2HD1 LEU 12 -8.877 -6.986 -6.781 90 3HD1 LEU 12 3HD1 LEU 12 -9.367 -5.594 -5.786 91 1HD2 LEU 12 1HD2 LEU 12 -10.049 -7.442 -3.270 92 2HD2 LEU 12 2HD2 LEU 12 -10.541 -7.575 -4.975 93 3HD2 LEU 12 3HD2 LEU 12 -9.654 -8.909 -4.197 94 H GLU 13 H GLU 13 -4.741 -9.694 -5.965 95 HA GLU 13 HA GLU 13 -4.158 -11.340 -3.779 96 1HB GLU 13 1HB GLU 13 -4.445 -12.064 -6.194 97 2HB GLU 13 2HB GLU 13 -2.875 -11.370 -6.545 98 1HG GLU 13 1HG GLU 13 -2.093 -13.461 -6.031 99 2HG GLU 13 2HG GLU 13 -2.225 -12.910 -4.373 100 H LEU 14 H LEU 14 -2.405 -8.749 -5.494 101 HA LEU 14 HA LEU 14 0.153 -9.325 -4.538 102 1HB LEU 14 1HB LEU 14 -1.219 -6.858 -5.557 103 2HB LEU 14 2HB LEU 14 0.415 -6.774 -4.930 104 HG LEU 14 HG LEU 14 -0.598 -8.218 -7.370 105 1HD1 LEU 14 1HD1 LEU 14 0.110 -5.877 -7.594 106 2HD1 LEU 14 2HD1 LEU 14 1.711 -6.301 -6.940 107 3HD1 LEU 14 3HD1 LEU 14 1.174 -6.985 -8.493 108 1HD2 LEU 14 1HD2 LEU 14 0.677 -9.934 -6.379 109 2HD2 LEU 14 2HD2 LEU 14 1.756 -9.160 -7.565 110 3HD2 LEU 14 3HD2 LEU 14 1.935 -8.800 -5.831 111 H ILE 15 H ILE 15 -2.691 -7.805 -3.057 112 HA ILE 15 HA ILE 15 -1.347 -6.523 -0.958 113 HB ILE 15 HB ILE 15 -4.110 -7.267 -1.663 114 1HG1 ILE 15 1HG1 ILE 15 -4.456 -4.893 -0.834 115 2HG1 ILE 15 2HG1 ILE 15 -2.723 -4.800 -0.586 116 1HG2 ILE 15 1HG2 ILE 15 -5.031 -6.858 0.539 117 2HG2 ILE 15 2HG2 ILE 15 -3.925 -8.252 0.594 118 3HG2 ILE 15 3HG2 ILE 15 -3.398 -6.673 1.223 119 1HD1 ILE 15 1HD1 ILE 15 -3.417 -3.899 -2.815 120 2HD1 ILE 15 2HD1 ILE 15 -2.305 -5.280 -2.966 121 3HD1 ILE 15 3HD1 ILE 15 -4.048 -5.507 -3.245 122 H LYS 16 H LYS 16 -2.816 -9.816 -1.274 123 HA LYS 16 HA LYS 16 -2.164 -10.570 1.363 124 1HB LYS 16 1HB LYS 16 -3.681 -11.594 -0.735 125 2HB LYS 16 2HB LYS 16 -2.384 -12.758 -0.564 126 1HG LYS 16 1HG LYS 16 -2.852 -12.959 1.869 127 2HG LYS 16 2HG LYS 16 -4.105 -11.741 1.747 128 1HD LYS 16 1HD LYS 16 -4.214 -14.243 0.025 129 2HD LYS 16 2HD LYS 16 -4.792 -14.276 1.679 130 1HE LYS 16 1HE LYS 16 -5.825 -11.922 0.263 131 2HE LYS 16 2HE LYS 16 -6.223 -13.393 -0.602 132 1HZ LYS 16 1HZ LYS 16 -6.721 -14.035 1.956 133 2HZ LYS 16 2HZ LYS 16 -7.189 -12.471 1.906 134 3HZ LYS 16 3HZ LYS 16 -7.845 -13.554 0.874 135 H LEU 17 H LEU 17 -0.325 -10.235 -1.591 136 HA LEU 17 HA LEU 17 1.735 -12.053 -0.698 137 1HB LEU 17 1HB LEU 17 1.162 -10.452 -3.146 138 2HB LEU 17 2HB LEU 17 2.828 -10.884 -2.817 139 HG LEU 17 HG LEU 17 0.781 -13.059 -2.701 140 1HD1 LEU 17 1HD1 LEU 17 1.300 -11.419 -5.078 141 2HD1 LEU 17 2HD1 LEU 17 1.558 -13.162 -5.330 142 3HD1 LEU 17 3HD1 LEU 17 -0.012 -12.571 -4.734 143 1HD2 LEU 17 1HD2 LEU 17 3.672 -12.793 -2.897 144 2HD2 LEU 17 2HD2 LEU 17 2.678 -14.187 -2.413 145 3HD2 LEU 17 3HD2 LEU 17 3.012 -13.887 -4.136 146 H ARG 18 H ARG 18 1.235 -8.500 -1.161 147 HA ARG 18 HA ARG 18 3.800 -7.940 -0.117 148 1HB ARG 18 1HB ARG 18 2.977 -5.545 -0.186 149 2HB ARG 18 2HB ARG 18 2.797 -6.386 -1.713 150 1HG ARG 18 1HG ARG 18 0.562 -6.017 -1.689 151 2HG ARG 18 2HG ARG 18 0.412 -6.875 -0.168 152 1HD ARG 18 1HD ARG 18 0.081 -4.931 0.962 153 2HD ARG 18 2HD ARG 18 1.578 -4.262 0.343 154 HE ARG 18 HE ARG 18 -1.030 -3.546 -0.539 155 1HH1 ARG 18 2HH2 ARG 18 2.095 -4.383 -1.922 156 2HH1 ARG 18 1HH2 ARG 18 1.853 -3.449 -3.360 157 1HH2 ARG 18 2HH1 ARG 18 -1.351 -2.314 -2.437 158 2HH2 ARG 18 1HH1 ARG 18 -0.121 -2.264 -3.655 159 H LYS 19 H LYS 19 1.182 -9.233 1.373 160 HA LYS 19 HA LYS 19 0.823 -7.504 3.588 161 1HB LYS 19 1HB LYS 19 -0.709 -9.053 4.325 162 2HB LYS 19 2HB LYS 19 -0.716 -9.368 2.602 163 1HG LYS 19 1HG LYS 19 0.968 -11.212 2.961 164 2HG LYS 19 2HG LYS 19 0.890 -10.920 4.687 165 1HD LYS 19 1HD LYS 19 -1.533 -11.464 4.699 166 2HD LYS 19 2HD LYS 19 -1.514 -11.678 2.960 167 1HE LYS 19 1HE LYS 19 0.350 -13.297 4.734 168 2HE LYS 19 2HE LYS 19 -1.311 -13.801 4.493 169 1HZ LYS 19 1HZ LYS 19 -0.948 -14.014 2.211 170 2HZ LYS 19 2HZ LYS 19 0.471 -13.207 2.243 171 3HZ LYS 19 3HZ LYS 19 0.364 -14.698 2.902 172 H LYS 20 H LYS 20 3.117 -10.060 2.713 173 HA LYS 20 HA LYS 20 4.077 -10.286 5.424 174 1HB LYS 20 1HB LYS 20 3.945 -12.074 3.439 175 2HB LYS 20 2HB LYS 20 5.546 -11.448 3.098 176 1HG LYS 20 1HG LYS 20 5.302 -11.838 5.961 177 2HG LYS 20 2HG LYS 20 4.772 -13.301 5.154 178 1HD LYS 20 1HD LYS 20 6.873 -13.781 4.340 179 2HD LYS 20 2HD LYS 20 7.247 -12.102 4.008 180 1HE LYS 20 1HE LYS 20 7.728 -11.674 6.378 181 2HE LYS 20 2HE LYS 20 7.165 -13.271 6.829 182 1HZ LYS 20 1HZ LYS 20 9.691 -12.661 6.246 183 2HZ LYS 20 2HZ LYS 20 9.075 -14.172 6.188 184 3HZ LYS 20 3HZ LYS 20 9.195 -13.287 4.821 185 H LYS 21 H LYS 21 4.162 -7.781 3.411 186 HA LYS 21 HA LYS 21 6.893 -7.092 4.212 187 1HB LYS 21 1HB LYS 21 5.674 -6.619 1.475 188 2HB LYS 21 2HB LYS 21 7.185 -5.928 2.032 189 1HG LYS 21 1HG LYS 21 8.320 -7.859 1.636 190 2HG LYS 21 2HG LYS 21 7.147 -8.813 2.522 191 1HD LYS 21 1HD LYS 21 5.643 -8.830 0.524 192 2HD LYS 21 2HD LYS 21 6.805 -7.863 -0.363 193 1HE LYS 21 1HE LYS 21 7.396 -10.013 -1.075 194 2HE LYS 21 2HE LYS 21 8.506 -9.799 0.265 195 1HZ LYS 21 1HZ LYS 21 7.345 -11.895 0.377 196 2HZ LYS 21 2HZ LYS 21 6.963 -10.972 1.669 197 3HZ LYS 21 3HZ LYS 21 5.898 -11.143 0.444 198 H ILE 22 H ILE 22 5.062 -4.928 2.170 199 HA ILE 22 HA ILE 22 3.609 -3.681 4.269 200 HB ILE 22 HB ILE 22 6.332 -3.015 4.106 201 1HG1 ILE 22 1HG1 ILE 22 4.983 -2.991 6.128 202 2HG1 ILE 22 2HG1 ILE 22 5.767 -1.441 5.893 203 1HG2 ILE 22 1HG2 ILE 22 4.723 -0.590 3.321 204 2HG2 ILE 22 2HG2 ILE 22 6.490 -0.803 3.370 205 3HG2 ILE 22 3HG2 ILE 22 5.530 -1.613 2.108 206 1HD1 ILE 22 1HD1 ILE 22 3.357 -1.230 6.571 207 2HD1 ILE 22 2HD1 ILE 22 3.700 -0.461 5.002 208 3HD1 ILE 22 3HD1 ILE 22 2.893 -2.046 5.058 209 H GLU 23 H GLU 23 2.969 -1.291 3.309 210 HA GLU 23 HA GLU 23 2.683 -1.537 0.445 211 1HB GLU 23 1HB GLU 23 0.659 -2.615 1.105 212 2HB GLU 23 2HB GLU 23 0.381 -1.493 2.422 213 1HG GLU 23 1HG GLU 23 -0.058 0.341 0.828 214 2HG GLU 23 2HG GLU 23 0.356 -0.692 -0.526 215 H GLY 24 H GLY 24 3.477 0.376 -0.308 216 1HA GLY 24 1HA GLY 24 3.353 2.741 1.389 217 2HA GLY 24 2HA GLY 24 4.251 2.537 -0.102 218 H ARG 25 H ARG 25 2.457 4.769 0.669 219 HA ARG 25 HA ARG 25 1.200 5.105 -1.740 220 1HB ARG 25 1HB ARG 25 -0.387 3.350 -0.815 221 2HB ARG 25 2HB ARG 25 -0.775 4.440 0.502 222 1HG ARG 25 1HG ARG 25 -2.256 5.572 -0.792 223 2HG ARG 25 2HG ARG 25 -1.031 5.880 -2.006 224 1HD ARG 25 1HD ARG 25 -1.672 4.079 -3.321 225 2HD ARG 25 2HD ARG 25 -2.104 3.084 -1.944 226 HE ARG 25 HE ARG 25 -3.996 5.143 -1.936 227 1HH1 ARG 25 2HH2 ARG 25 -2.968 2.685 -4.235 228 2HH1 ARG 25 1HH2 ARG 25 -4.518 2.570 -4.999 229 1HH2 ARG 25 2HH1 ARG 25 -6.041 4.991 -2.944 230 2HH2 ARG 25 1HH1 ARG 25 -6.277 3.890 -4.260 231 H LEU 26 H LEU 26 1.643 7.292 -1.805 232 HA LEU 26 HA LEU 26 2.178 8.968 0.186 233 1HB LEU 26 1HB LEU 26 2.476 10.099 -1.695 234 2HB LEU 26 2HB LEU 26 1.233 9.203 -2.547 235 HG LEU 26 HG LEU 26 -0.407 10.738 -1.159 236 1HD1 LEU 26 1HD1 LEU 26 1.175 13.049 -1.367 237 2HD1 LEU 26 2HD1 LEU 26 0.562 12.275 0.114 238 3HD1 LEU 26 3HD1 LEU 26 2.175 11.852 -0.508 239 1HD2 LEU 26 1HD2 LEU 26 -0.260 10.657 -3.597 240 2HD2 LEU 26 2HD2 LEU 26 -0.443 12.330 -3.016 241 3HD2 LEU 26 3HD2 LEU 26 1.149 11.745 -3.557 242 H TYR 27 H TYR 27 1.179 10.023 1.855 243 HA TYR 27 HA TYR 27 -1.359 9.125 2.662 244 1HB TYR 27 1HB TYR 27 0.863 10.330 3.761 245 2HB TYR 27 2HB TYR 27 -0.133 11.757 3.557 246 HD1 TYR 27 HD1 TYR 27 -0.732 12.364 5.741 247 HD2 TYR 27 HD2 TYR 27 -1.188 8.294 4.506 248 HE1 TYR 27 HE1 TYR 27 -1.935 11.831 7.916 249 HE2 TYR 27 HE2 TYR 27 -2.389 7.774 6.686 250 HH TYR 27 HH TYR 27 -2.219 9.060 9.184 251 H ASP 28 H ASP 28 -3.226 10.621 3.214 252 HA ASP 28 HA ASP 28 -3.442 13.024 1.775 253 1HB ASP 28 1HB ASP 28 -4.840 10.533 0.723 254 2HB ASP 28 2HB ASP 28 -5.494 12.131 0.421 255 H GLU 29 H GLU 29 -6.155 13.448 1.718 256 HA GLU 29 HA GLU 29 -6.842 13.610 4.373 257 1HB GLU 29 1HB GLU 29 -8.745 13.634 1.990 258 2HB GLU 29 2HB GLU 29 -9.047 14.344 3.563 259 1HG GLU 29 1HG GLU 29 -6.564 15.442 2.760 260 2HG GLU 29 2HG GLU 29 -7.530 15.432 1.297 261 H LYS 30 H LYS 30 -7.970 11.300 1.812 262 HA LYS 30 HA LYS 30 -9.742 9.894 3.420 263 1HB LYS 30 1HB LYS 30 -8.286 9.378 0.860 264 2HB LYS 30 2HB LYS 30 -9.044 8.016 1.659 265 1HG LYS 30 1HG LYS 30 -11.097 8.684 0.968 266 2HG LYS 30 2HG LYS 30 -10.885 10.253 1.720 267 1HD LYS 30 1HD LYS 30 -9.256 10.491 -0.513 268 2HD LYS 30 2HD LYS 30 -10.532 9.456 -1.124 269 1HE LYS 30 1HE LYS 30 -12.211 11.078 -0.774 270 2HE LYS 30 2HE LYS 30 -11.303 11.904 0.477 271 1HZ LYS 30 1HZ LYS 30 -11.420 12.929 -1.829 272 2HZ LYS 30 2HZ LYS 30 -9.970 12.914 -1.079 273 3HZ LYS 30 3HZ LYS 30 -10.290 11.832 -2.259 274 H ARG 31 H ARG 31 -6.217 9.400 2.779 275 HA ARG 31 HA ARG 31 -6.012 7.082 4.248 276 1HB ARG 31 1HB ARG 31 -4.302 8.611 2.719 277 2HB ARG 31 2HB ARG 31 -3.674 8.953 4.319 278 1HG ARG 31 1HG ARG 31 -2.464 7.026 3.631 279 2HG ARG 31 2HG ARG 31 -3.688 6.389 4.712 280 1HD ARG 31 1HD ARG 31 -3.602 4.988 2.702 281 2HD ARG 31 2HD ARG 31 -5.134 5.839 2.729 282 HE ARG 31 HE ARG 31 -2.872 6.348 0.885 283 1HH1 ARG 31 2HH2 ARG 31 -6.025 7.368 2.070 284 2HH1 ARG 31 1HH2 ARG 31 -6.365 8.358 0.691 285 1HH2 ARG 31 2HH1 ARG 31 -3.321 7.654 -0.935 286 2HH2 ARG 31 1HH1 ARG 31 -4.817 8.522 -1.030 287 H ARG 32 H ARG 32 -5.713 10.559 5.167 288 HA ARG 32 HA ARG 32 -4.686 10.296 7.647 289 1HB ARG 32 1HB ARG 32 -5.831 12.348 6.137 290 2HB ARG 32 2HB ARG 32 -6.922 12.250 7.505 291 1HG ARG 32 1HG ARG 32 -5.414 13.274 8.853 292 2HG ARG 32 2HG ARG 32 -4.200 12.065 8.485 293 1HD ARG 32 1HD ARG 32 -3.142 13.407 6.948 294 2HD ARG 32 2HD ARG 32 -4.649 13.984 6.264 295 HE ARG 32 HE ARG 32 -3.134 15.217 8.459 296 1HH1 ARG 32 2HH2 ARG 32 -6.250 15.012 6.837 297 2HH1 ARG 32 1HH2 ARG 32 -6.795 16.552 7.414 298 1HH2 ARG 32 2HH1 ARG 32 -3.853 17.248 9.221 299 2HH2 ARG 32 1HH1 ARG 32 -5.423 17.832 8.779 300 H GLN 33 H GLN 33 -8.094 9.880 6.549 301 HA GLN 33 HA GLN 33 -9.132 9.624 9.142 302 1HB GLN 33 1HB GLN 33 -10.115 9.644 6.435 303 2HB GLN 33 2HB GLN 33 -10.771 8.227 7.230 304 1HG GLN 33 1HG GLN 33 -11.582 9.645 9.116 305 2HG GLN 33 2HG GLN 33 -10.899 11.067 8.352 306 1HE2 GLN 33 1HE2 GLN 33 -13.479 8.808 8.446 307 2HE2 GLN 33 2HE2 GLN 33 -14.492 9.495 7.221 308 H ILE 34 H ILE 34 -7.457 7.462 6.930 309 HA ILE 34 HA ILE 34 -8.443 5.056 8.102 310 HB ILE 34 HB ILE 34 -6.098 5.628 6.288 311 1HG1 ILE 34 1HG1 ILE 34 -8.785 4.425 5.586 312 2HG1 ILE 34 2HG1 ILE 34 -8.444 6.139 5.455 313 1HG2 ILE 34 1HG2 ILE 34 -5.646 3.584 7.463 314 2HG2 ILE 34 2HG2 ILE 34 -7.300 2.994 7.176 315 3HG2 ILE 34 3HG2 ILE 34 -6.174 3.183 5.811 316 1HD1 ILE 34 1HD1 ILE 34 -6.241 5.027 4.179 317 2HD1 ILE 34 2HD1 ILE 34 -7.550 3.906 3.733 318 3HD1 ILE 34 3HD1 ILE 34 -7.698 5.640 3.360 319 H LYS 35 H LYS 35 -7.801 4.078 9.950 320 HA LYS 35 HA LYS 35 -5.142 4.732 10.962 321 1HB LYS 35 1HB LYS 35 -5.840 5.496 13.013 322 2HB LYS 35 2HB LYS 35 -7.069 6.183 11.970 323 1HG LYS 35 1HG LYS 35 -7.421 3.480 13.337 324 2HG LYS 35 2HG LYS 35 -7.898 4.983 14.102 325 1HD LYS 35 1HD LYS 35 -9.040 5.214 11.563 326 2HD LYS 35 2HD LYS 35 -9.199 3.500 11.891 327 1HE LYS 35 1HE LYS 35 -9.910 4.808 14.322 328 2HE LYS 35 2HE LYS 35 -10.680 5.735 13.050 329 1HZ LYS 35 1HZ LYS 35 -12.017 4.041 12.550 330 2HZ LYS 35 2HZ LYS 35 -10.876 2.891 12.751 331 3HZ LYS 35 3HZ LYS 35 -11.664 3.494 14.048 332 HA PRO 36 HA PRO 36 -5.075 0.538 11.982 333 1HB PRO 36 1HB PRO 36 -3.655 0.413 14.314 334 2HB PRO 36 2HB PRO 36 -2.904 0.628 12.745 335 1HG PRO 36 1HG PRO 36 -3.339 2.625 14.881 336 2HG PRO 36 2HG PRO 36 -2.241 2.698 13.517 337 1HD PRO 36 1HD PRO 36 -4.746 4.070 13.778 338 2HD PRO 36 2HD PRO 36 -3.704 4.050 12.369 339 H GLY 37 H GLY 37 -7.251 0.004 12.132 340 1HA GLY 37 1HA GLY 37 -8.129 -1.332 14.265 341 2HA GLY 37 2HA GLY 37 -8.473 0.316 14.752 342 H ASP 38 H ASP 38 -8.622 -1.371 11.532 343 HA ASP 38 HA ASP 38 -11.448 -1.287 11.555 344 1HB ASP 38 1HB ASP 38 -9.967 0.954 10.418 345 2HB ASP 38 2HB ASP 38 -10.833 0.120 9.144 346 H VAL 39 H VAL 39 -11.944 -1.529 8.783 347 HA VAL 39 HA VAL 39 -9.954 -3.416 7.783 348 HB VAL 39 HB VAL 39 -12.912 -4.015 7.978 349 1HG1 VAL 39 1HG1 VAL 39 -11.076 -4.976 6.156 350 2HG1 VAL 39 2HG1 VAL 39 -11.043 -6.215 7.434 351 3HG1 VAL 39 3HG1 VAL 39 -12.581 -5.792 6.644 352 1HG2 VAL 39 1HG2 VAL 39 -11.771 -4.070 10.187 353 2HG2 VAL 39 2HG2 VAL 39 -12.353 -5.669 9.662 354 3HG2 VAL 39 3HG2 VAL 39 -10.624 -5.265 9.535 355 H ILE 40 H ILE 40 -9.879 -3.538 5.493 356 HA ILE 40 HA ILE 40 -11.633 -1.604 4.148 357 HB ILE 40 HB ILE 40 -8.704 -2.082 3.590 358 1HG1 ILE 40 1HG1 ILE 40 -9.638 0.563 4.543 359 2HG1 ILE 40 2HG1 ILE 40 -9.672 -0.718 5.738 360 1HG2 ILE 40 1HG2 ILE 40 -10.296 -1.440 1.676 361 2HG2 ILE 40 2HG2 ILE 40 -10.412 0.141 2.485 362 3HG2 ILE 40 3HG2 ILE 40 -8.833 -0.456 1.920 363 1HD1 ILE 40 1HD1 ILE 40 -7.481 0.077 5.974 364 2HD1 ILE 40 2HD1 ILE 40 -7.240 -1.264 4.828 365 3HD1 ILE 40 3HD1 ILE 40 -7.308 0.413 4.234 366 H SER 41 H SER 41 -12.970 -2.645 2.780 367 HA SER 41 HA SER 41 -12.216 -5.276 1.919 368 1HB SER 41 1HB SER 41 -14.502 -5.492 1.173 369 2HB SER 41 2HB SER 41 -14.537 -4.705 2.738 370 HG SER 41 HG SER 41 -15.487 -3.015 1.843 371 H PHE 42 H PHE 42 -11.658 -5.857 -0.202 372 HA PHE 42 HA PHE 42 -11.433 -3.602 -2.067 373 1HB PHE 42 1HB PHE 42 -9.864 -6.172 -1.511 374 2HB PHE 42 2HB PHE 42 -9.692 -5.367 -3.058 375 HD1 PHE 42 HD1 PHE 42 -7.771 -5.868 -0.524 376 HD2 PHE 42 HD2 PHE 42 -9.778 -2.515 -2.180 377 HE1 PHE 42 HE1 PHE 42 -6.038 -4.343 0.461 378 HE2 PHE 42 HE2 PHE 42 -8.044 -0.991 -1.195 379 HZ PHE 42 HZ PHE 42 -6.195 -1.923 0.114 380 H GLU 43 H GLU 43 -12.792 -3.649 -3.787 381 HA GLU 43 HA GLU 43 -14.026 -4.384 -5.419 382 1HB GLU 43 1HB GLU 43 -12.715 -7.099 -4.953 383 2HB GLU 43 2HB GLU 43 -13.696 -6.688 -6.346 384 1HG GLU 43 1HG GLU 43 -11.269 -5.014 -5.599 385 2HG GLU 43 2HG GLU 43 -11.094 -6.476 -6.549 386 H GLY 44 H GLY 44 -15.200 -4.144 -2.909 387 1HA GLY 44 1HA GLY 44 -17.350 -4.597 -2.207 388 2HA GLY 44 2HA GLY 44 -17.362 -6.086 -3.132 389 H GLY 45 H GLY 45 -15.511 -7.739 -2.337 390 1HA GLY 45 1HA GLY 45 -14.808 -7.653 0.418 391 2HA GLY 45 2HA GLY 45 -16.228 -8.650 0.171 392 H LYS 46 H LYS 46 -13.761 -8.247 -2.374 393 HA LYS 46 HA LYS 46 -13.365 -11.079 -2.426 394 1HB LYS 46 1HB LYS 46 -13.460 -9.335 -4.383 395 2HB LYS 46 2HB LYS 46 -11.760 -9.102 -4.026 396 1HG LYS 46 1HG LYS 46 -12.367 -11.954 -4.065 397 2HG LYS 46 2HG LYS 46 -12.944 -11.210 -5.543 398 1HD LYS 46 1HD LYS 46 -10.627 -10.073 -5.715 399 2HD LYS 46 2HD LYS 46 -10.109 -11.140 -4.425 400 1HE LYS 46 1HE LYS 46 -11.140 -11.954 -7.180 401 2HE LYS 46 2HE LYS 46 -9.520 -12.181 -6.550 402 1HZ LYS 46 1HZ LYS 46 -10.690 -13.521 -4.754 403 2HZ LYS 46 2HZ LYS 46 -11.969 -13.563 -5.768 404 3HZ LYS 46 3HZ LYS 46 -10.538 -14.199 -6.232 405 H LEU 47 H LEU 47 -11.546 -8.169 -1.365 406 HA LEU 47 HA LEU 47 -9.757 -9.982 0.063 407 1HB LEU 47 1HB LEU 47 -8.954 -8.845 -2.262 408 2HB LEU 47 2HB LEU 47 -8.490 -7.593 -1.126 409 HG LEU 47 HG LEU 47 -6.691 -9.235 -1.681 410 1HD1 LEU 47 1HD1 LEU 47 -7.403 -9.298 1.257 411 2HD1 LEU 47 2HD1 LEU 47 -5.787 -9.327 0.512 412 3HD1 LEU 47 3HD1 LEU 47 -6.780 -7.852 0.428 413 1HD2 LEU 47 1HD2 LEU 47 -8.613 -11.152 -1.390 414 2HD2 LEU 47 2HD2 LEU 47 -6.859 -11.451 -1.389 415 3HD2 LEU 47 3HD2 LEU 47 -7.734 -11.288 0.152 416 H LYS 48 H LYS 48 -10.081 -9.535 2.171 417 HA LYS 48 HA LYS 48 -10.709 -6.754 2.852 418 1HB LYS 48 1HB LYS 48 -11.188 -9.236 4.522 419 2HB LYS 48 2HB LYS 48 -11.776 -7.616 4.834 420 1HG LYS 48 1HG LYS 48 -12.462 -8.792 2.157 421 2HG LYS 48 2HG LYS 48 -13.253 -9.507 3.548 422 1HD LYS 48 1HD LYS 48 -13.609 -6.878 4.166 423 2HD LYS 48 2HD LYS 48 -13.524 -6.737 2.421 424 1HE LYS 48 1HE LYS 48 -15.791 -7.170 2.611 425 2HE LYS 48 2HE LYS 48 -15.225 -8.827 2.525 426 1HZ LYS 48 1HZ LYS 48 -16.273 -7.383 4.772 427 2HZ LYS 48 2HZ LYS 48 -16.350 -8.977 4.430 428 3HZ LYS 48 3HZ LYS 48 -15.005 -8.354 5.114 429 H VAL 49 H VAL 49 -9.315 -5.559 4.075 430 HA VAL 49 HA VAL 49 -7.102 -7.021 5.329 431 HB VAL 49 HB VAL 49 -5.524 -5.473 4.527 432 1HG1 VAL 49 1HG1 VAL 49 -5.446 -6.018 2.282 433 2HG1 VAL 49 2HG1 VAL 49 -6.615 -7.217 2.886 434 3HG1 VAL 49 3HG1 VAL 49 -7.191 -5.758 2.044 435 1HG2 VAL 49 1HG2 VAL 49 -7.725 -3.845 3.223 436 2HG2 VAL 49 2HG2 VAL 49 -7.017 -3.460 4.811 437 3HG2 VAL 49 3HG2 VAL 49 -5.996 -3.441 3.352 438 H ARG 50 H ARG 50 -6.103 -5.823 7.153 439 HA ARG 50 HA ARG 50 -7.938 -3.835 8.216 440 1HB ARG 50 1HB ARG 50 -8.516 -5.670 9.576 441 2HB ARG 50 2HB ARG 50 -6.913 -6.372 9.496 442 1HG ARG 50 1HG ARG 50 -6.019 -4.814 11.085 443 2HG ARG 50 2HG ARG 50 -7.374 -3.718 10.904 444 1HD ARG 50 1HD ARG 50 -8.145 -4.724 12.819 445 2HD ARG 50 2HD ARG 50 -8.704 -5.976 11.727 446 HE ARG 50 HE ARG 50 -5.919 -6.317 12.606 447 1HH1 ARG 50 2HH2 ARG 50 -9.294 -7.041 13.289 448 2HH1 ARG 50 1HH2 ARG 50 -8.933 -8.429 14.261 449 1HH2 ARG 50 2HH1 ARG 50 -5.441 -8.148 13.888 450 2HH2 ARG 50 1HH1 ARG 50 -6.726 -9.062 14.604 451 H VAL 51 H VAL 51 -6.813 -1.939 8.522 452 HA VAL 51 HA VAL 51 -4.125 -1.640 8.193 453 HB VAL 51 HB VAL 51 -6.067 -0.027 9.857 454 1HG1 VAL 51 1HG1 VAL 51 -3.343 0.770 8.773 455 2HG1 VAL 51 2HG1 VAL 51 -4.502 1.850 9.585 456 3HG1 VAL 51 3HG1 VAL 51 -3.757 0.507 10.484 457 1HG2 VAL 51 1HG2 VAL 51 -5.711 -0.401 7.005 458 2HG2 VAL 51 2HG2 VAL 51 -6.971 0.498 7.885 459 3HG2 VAL 51 3HG2 VAL 51 -5.439 1.299 7.459 460 H LYS 52 H LYS 52 -2.287 -1.835 9.437 461 HA LYS 52 HA LYS 52 -2.720 -3.010 12.082 462 1HB LYS 52 1HB LYS 52 -0.808 -3.466 9.894 463 2HB LYS 52 2HB LYS 52 -0.053 -3.356 11.471 464 1HG LYS 52 1HG LYS 52 -2.505 -4.944 11.631 465 2HG LYS 52 2HG LYS 52 -1.450 -5.582 10.386 466 1HD LYS 52 1HD LYS 52 -0.628 -6.696 12.273 467 2HD LYS 52 2HD LYS 52 0.449 -5.315 12.211 468 1HE LYS 52 1HE LYS 52 -0.186 -4.851 14.343 469 2HE LYS 52 2HE LYS 52 -1.736 -4.356 13.694 470 1HZ LYS 52 1HZ LYS 52 -2.387 -5.980 15.088 471 2HZ LYS 52 2HZ LYS 52 -2.128 -6.926 13.782 472 3HZ LYS 52 3HZ LYS 52 -1.008 -6.846 14.967 473 H ALA 53 H ALA 53 -0.893 -0.475 10.279 474 HA ALA 53 HA ALA 53 -1.011 1.269 12.501 475 1HB ALA 53 1HB ALA 53 0.768 -0.302 13.289 476 2HB ALA 53 2HB ALA 53 1.723 0.102 11.842 477 3HB ALA 53 3HB ALA 53 1.364 1.358 13.050 478 H ILE 54 H ILE 54 0.481 3.286 11.970 479 HA ILE 54 HA ILE 54 0.571 3.575 9.051 480 HB ILE 54 HB ILE 54 -1.429 4.631 10.281 481 1HG1 ILE 54 1HG1 ILE 54 -0.317 6.851 8.796 482 2HG1 ILE 54 2HG1 ILE 54 0.065 5.340 7.994 483 1HG2 ILE 54 1HG2 ILE 54 0.448 5.676 11.933 484 2HG2 ILE 54 2HG2 ILE 54 0.235 7.020 10.785 485 3HG2 ILE 54 3HG2 ILE 54 -1.167 6.377 11.674 486 1HD1 ILE 54 1HD1 ILE 54 -2.464 4.739 8.434 487 2HD1 ILE 54 2HD1 ILE 54 -2.653 6.494 8.661 488 3HD1 ILE 54 3HD1 ILE 54 -2.055 5.856 7.111 489 H ARG 55 H ARG 55 2.219 5.012 8.246 490 HA ARG 55 HA ARG 55 4.047 6.034 10.201 491 1HB ARG 55 1HB ARG 55 4.557 3.572 8.668 492 2HB ARG 55 2HB ARG 55 5.780 4.783 8.340 493 1HG ARG 55 1HG ARG 55 6.681 4.623 10.437 494 2HG ARG 55 2HG ARG 55 5.110 4.603 11.214 495 1HD ARG 55 1HD ARG 55 4.900 2.263 11.057 496 2HD ARG 55 2HD ARG 55 5.952 2.152 9.660 497 HE ARG 55 HE ARG 55 7.521 3.131 11.822 498 1HH1 ARG 55 2HH2 ARG 55 5.803 0.199 10.911 499 2HH1 ARG 55 1HH2 ARG 55 6.847 -0.847 11.816 500 1HH2 ARG 55 2HH1 ARG 55 8.899 1.752 13.015 501 2HH2 ARG 55 1HH1 ARG 55 8.620 0.043 13.020 502 H VAL 56 H VAL 56 5.628 7.571 9.207 503 HA VAL 56 HA VAL 56 4.915 8.308 6.459 504 HB VAL 56 HB VAL 56 5.271 10.209 8.785 505 1HG1 VAL 56 1HG1 VAL 56 5.367 11.901 7.319 506 2HG1 VAL 56 2HG1 VAL 56 5.699 10.667 6.080 507 3HG1 VAL 56 3HG1 VAL 56 4.034 11.240 6.342 508 1HG2 VAL 56 1HG2 VAL 56 2.695 10.418 7.567 509 2HG2 VAL 56 2HG2 VAL 56 2.979 8.709 7.974 510 3HG2 VAL 56 3HG2 VAL 56 3.104 9.957 9.237 511 H TYR 57 H TYR 57 6.642 9.174 5.216 512 HA TYR 57 HA TYR 57 9.254 9.142 6.556 513 1HB TYR 57 1HB TYR 57 8.186 7.761 4.037 514 2HB TYR 57 2HB TYR 57 9.895 8.136 4.150 515 HD1 TYR 57 HD1 TYR 57 7.172 6.379 6.031 516 HD2 TYR 57 HD2 TYR 57 11.351 6.600 5.143 517 HE1 TYR 57 HE1 TYR 57 7.566 4.220 7.316 518 HE2 TYR 57 HE2 TYR 57 11.732 4.442 6.431 519 HH TYR 57 HH TYR 57 10.032 3.300 8.573 520 H ASN 58 H ASN 58 10.943 9.925 4.651 521 HA ASN 58 HA ASN 58 10.125 12.586 4.203 522 1HB ASN 58 1HB ASN 58 12.588 11.046 4.171 523 2HB ASN 58 2HB ASN 58 12.489 11.945 2.671 524 1HD2 ASN 58 1HD2 ASN 58 12.340 12.185 6.182 525 2HD2 ASN 58 2HD2 ASN 58 12.833 13.839 6.328 526 H SER 59 H SER 59 10.857 9.665 2.176 527 HA SER 59 HA SER 59 9.060 10.633 0.183 528 1HB SER 59 1HB SER 59 11.867 11.144 -0.105 529 2HB SER 59 2HB SER 59 11.460 9.883 -1.252 530 HG SER 59 HG SER 59 10.036 12.395 -0.988 531 H PHE 60 H PHE 60 8.954 8.906 -1.694 532 HA PHE 60 HA PHE 60 8.479 6.428 -0.520 533 1HB PHE 60 1HB PHE 60 8.333 7.819 -3.098 534 2HB PHE 60 2HB PHE 60 8.967 6.208 -3.369 535 HD1 PHE 60 HD1 PHE 60 6.074 7.999 -3.453 536 HD2 PHE 60 HD2 PHE 60 7.576 4.391 -1.800 537 HE1 PHE 60 HE1 PHE 60 3.745 7.069 -3.366 538 HE2 PHE 60 HE2 PHE 60 5.246 3.461 -1.713 539 HZ PHE 60 HZ PHE 60 3.358 4.811 -2.497 540 H ARG 61 H ARG 61 11.307 7.756 -2.283 541 HA ARG 61 HA ARG 61 12.574 5.385 -2.791 542 1HB ARG 61 1HB ARG 61 13.133 7.985 -3.309 543 2HB ARG 61 2HB ARG 61 14.225 7.769 -1.956 544 1HG ARG 61 1HG ARG 61 14.318 5.548 -3.928 545 2HG ARG 61 2HG ARG 61 14.794 7.098 -4.592 546 1HD ARG 61 1HD ARG 61 15.932 6.119 -1.944 547 2HD ARG 61 2HD ARG 61 16.637 5.618 -3.468 548 HE ARG 61 HE ARG 61 16.726 8.319 -2.296 549 1HH1 ARG 61 2HH2 ARG 61 17.177 6.373 -5.193 550 2HH1 ARG 61 1HH2 ARG 61 18.200 7.535 -5.969 551 1HH2 ARG 61 2HH1 ARG 61 18.074 9.853 -3.320 552 2HH2 ARG 61 1HH1 ARG 61 18.713 9.529 -4.897 553 H GLU 62 H GLU 62 12.408 7.395 0.174 554 HA GLU 62 HA GLU 62 14.467 6.015 1.503 555 1HB GLU 62 1HB GLU 62 12.444 8.101 2.158 556 2HB GLU 62 2HB GLU 62 12.963 7.128 3.521 557 1HG GLU 62 1HG GLU 62 15.394 7.588 2.717 558 2HG GLU 62 2HG GLU 62 14.701 8.811 1.672 559 H MET 63 H MET 63 10.962 5.563 1.094 560 HA MET 63 HA MET 63 10.735 3.731 3.236 561 1HB MET 63 1HB MET 63 9.040 5.030 1.234 562 2HB MET 63 2HB MET 63 8.657 3.320 1.288 563 1HG MET 63 1HG MET 63 8.144 3.403 3.651 564 2HG MET 63 2HG MET 63 8.872 4.987 3.831 565 1HE MET 63 1HE MET 63 6.370 2.923 1.932 566 2HE MET 63 2HE MET 63 4.986 3.996 1.614 567 3HE MET 63 3HE MET 63 6.461 4.130 0.626 568 H LEU 64 H LEU 64 10.895 3.435 -0.378 569 HA LEU 64 HA LEU 64 10.708 0.653 -0.435 570 1HB LEU 64 1HB LEU 64 12.166 2.391 -2.421 571 2HB LEU 64 2HB LEU 64 11.425 0.827 -2.700 572 HG LEU 64 HG LEU 64 9.592 2.944 -1.724 573 1HD1 LEU 64 1HD1 LEU 64 9.837 3.273 -4.570 574 2HD1 LEU 64 2HD1 LEU 64 9.941 4.489 -3.275 575 3HD1 LEU 64 3HD1 LEU 64 11.400 3.607 -3.787 576 1HD2 LEU 64 1HD2 LEU 64 8.423 1.057 -2.256 577 2HD2 LEU 64 2HD2 LEU 64 8.350 1.904 -3.820 578 3HD2 LEU 64 3HD2 LEU 64 9.532 0.597 -3.569 579 H GLU 65 H GLU 65 13.395 2.875 0.243 580 HA GLU 65 HA GLU 65 15.357 0.851 -0.076 581 1HB GLU 65 1HB GLU 65 15.325 3.702 0.916 582 2HB GLU 65 2HB GLU 65 16.723 2.705 1.267 583 1HG GLU 65 1HG GLU 65 16.247 2.173 -1.441 584 2HG GLU 65 2HG GLU 65 15.849 3.874 -1.305 585 H LYS 66 H LYS 66 13.708 2.482 2.704 586 HA LYS 66 HA LYS 66 15.091 0.847 4.607 587 1HB LYS 66 1HB LYS 66 13.974 3.306 4.731 588 2HB LYS 66 2HB LYS 66 12.651 2.359 5.382 589 1HG LYS 66 1HG LYS 66 14.566 1.214 6.837 590 2HG LYS 66 2HG LYS 66 15.466 2.668 6.454 591 1HD LYS 66 1HD LYS 66 12.633 2.972 7.454 592 2HD LYS 66 2HD LYS 66 13.874 2.535 8.611 593 1HE LYS 66 1HE LYS 66 14.317 4.862 6.709 594 2HE LYS 66 2HE LYS 66 13.371 5.086 8.167 595 1HZ LYS 66 1HZ LYS 66 15.174 4.823 9.454 596 2HZ LYS 66 2HZ LYS 66 15.899 3.733 8.478 597 3HZ LYS 66 3HZ LYS 66 15.971 5.325 8.120 598 H GLU 67 H GLU 67 11.553 1.243 3.854 599 HA GLU 67 HA GLU 67 10.833 -1.085 5.126 600 1HB GLU 67 1HB GLU 67 9.468 0.347 2.804 601 2HB GLU 67 2HB GLU 67 8.706 -0.873 3.805 602 1HG GLU 67 1HG GLU 67 9.920 1.689 4.935 603 2HG GLU 67 2HG GLU 67 8.233 1.549 4.480 604 H GLY 68 H GLY 68 11.764 -0.449 1.702 605 1HA GLY 68 1HA GLY 68 13.040 -2.231 0.641 606 2HA GLY 68 2HA GLY 68 11.892 -3.379 1.302 607 H LEU 69 H LEU 69 12.760 -1.883 -1.512 608 HA LEU 69 HA LEU 69 10.456 -0.861 -2.607 609 1HB LEU 69 1HB LEU 69 12.411 -0.517 -3.787 610 2HB LEU 69 2HB LEU 69 12.897 -2.198 -3.700 611 HG LEU 69 HG LEU 69 10.870 -2.665 -5.241 612 1HD1 LEU 69 1HD1 LEU 69 10.802 0.260 -5.069 613 2HD1 LEU 69 2HD1 LEU 69 10.821 -0.358 -6.739 614 3HD1 LEU 69 3HD1 LEU 69 9.558 -0.894 -5.606 615 1HD2 LEU 69 1HD2 LEU 69 13.585 -2.006 -5.725 616 2HD2 LEU 69 2HD2 LEU 69 12.494 -3.013 -6.708 617 3HD2 LEU 69 3HD2 LEU 69 12.620 -1.266 -7.025 618 H GLU 70 H GLU 70 11.690 -4.270 -2.921 619 HA GLU 70 HA GLU 70 9.303 -5.140 -4.082 620 1HB GLU 70 1HB GLU 70 11.837 -6.348 -3.113 621 2HB GLU 70 2HB GLU 70 10.460 -7.429 -3.041 622 1HG GLU 70 1HG GLU 70 9.952 -6.891 -5.455 623 2HG GLU 70 2HG GLU 70 11.386 -5.886 -5.511 624 H ASN 71 H ASN 71 10.049 -4.218 -0.884 625 HA ASN 71 HA ASN 71 8.191 -6.097 0.273 626 1HB ASN 71 1HB ASN 71 9.873 -3.866 1.533 627 2HB ASN 71 2HB ASN 71 8.875 -4.981 2.443 628 1HD2 ASN 71 1HD2 ASN 71 11.273 -5.052 3.269 629 2HD2 ASN 71 2HD2 ASN 71 12.216 -6.383 2.685 630 H VAL 72 H VAL 72 7.892 -3.400 -1.545 631 HA VAL 72 HA VAL 72 5.560 -2.473 -0.045 632 HB VAL 72 HB VAL 72 7.654 -0.697 -1.315 633 1HG1 VAL 72 1HG1 VAL 72 5.156 -0.013 -1.414 634 2HG1 VAL 72 2HG1 VAL 72 5.313 0.243 0.341 635 3HG1 VAL 72 3HG1 VAL 72 6.337 1.163 -0.788 636 1HG2 VAL 72 1HG2 VAL 72 7.202 -0.114 1.447 637 2HG2 VAL 72 2HG2 VAL 72 7.525 -1.857 1.291 638 3HG2 VAL 72 3HG2 VAL 72 8.694 -0.675 0.655 639 H LEU 73 H LEU 73 7.435 -2.275 -3.149 640 HA LEU 73 HA LEU 73 4.845 -2.489 -4.522 641 1HB LEU 73 1HB LEU 73 6.129 -0.276 -4.653 642 2HB LEU 73 2HB LEU 73 7.289 -1.138 -5.644 643 HG LEU 73 HG LEU 73 4.932 -1.778 -6.896 644 1HD1 LEU 73 1HD1 LEU 73 4.384 1.051 -6.822 645 2HD1 LEU 73 2HD1 LEU 73 3.296 -0.326 -6.528 646 3HD1 LEU 73 3HD1 LEU 73 4.254 0.353 -5.190 647 1HD2 LEU 73 1HD2 LEU 73 7.282 -0.232 -7.408 648 2HD2 LEU 73 2HD2 LEU 73 6.208 -1.063 -8.559 649 3HD2 LEU 73 3HD2 LEU 73 5.875 0.621 -8.087 650 HA PRO 74 HA PRO 74 7.088 -6.192 -5.580 651 1HB PRO 74 1HB PRO 74 4.923 -7.858 -5.650 652 2HB PRO 74 2HB PRO 74 5.891 -7.605 -4.211 653 1HG PRO 74 1HG PRO 74 3.202 -6.553 -4.843 654 2HG PRO 74 2HG PRO 74 3.996 -6.672 -3.286 655 1HD PRO 74 1HD PRO 74 3.664 -4.301 -4.866 656 2HD PRO 74 2HD PRO 74 4.557 -4.444 -3.365 657 H GLY 75 H GLY 75 7.819 -6.567 -7.571 658 1HA GLY 75 1HA GLY 75 7.122 -7.377 -9.755 659 2HA GLY 75 2HA GLY 75 5.799 -6.229 -9.707 660 H VAL 76 H VAL 76 7.334 -4.013 -8.494 661 HA VAL 76 HA VAL 76 8.071 -2.580 -10.617 662 HB VAL 76 HB VAL 76 7.952 -1.958 -8.159 663 1HG1 VAL 76 1HG1 VAL 76 10.843 -2.034 -7.805 664 2HG1 VAL 76 2HG1 VAL 76 9.544 -2.560 -6.708 665 3HG1 VAL 76 3HG1 VAL 76 10.153 -3.668 -7.961 666 1HG2 VAL 76 1HG2 VAL 76 10.088 -0.864 -10.005 667 2HG2 VAL 76 2HG2 VAL 76 8.443 -0.246 -9.724 668 3HG2 VAL 76 3HG2 VAL 76 9.678 -0.104 -8.449 669 H LYS 77 H LYS 77 10.097 -2.019 -11.686 670 HA LYS 77 HA LYS 77 11.703 -4.386 -12.090 671 1HB LYS 77 1HB LYS 77 11.439 -1.730 -13.499 672 2HB LYS 77 2HB LYS 77 12.748 -2.833 -13.869 673 1HG LYS 77 1HG LYS 77 10.721 -4.613 -13.999 674 2HG LYS 77 2HG LYS 77 9.790 -3.168 -14.336 675 1HD LYS 77 1HD LYS 77 10.789 -2.827 -16.391 676 2HD LYS 77 2HD LYS 77 12.358 -3.384 -15.844 677 1HE LYS 77 1HE LYS 77 11.337 -5.766 -15.795 678 2HE LYS 77 2HE LYS 77 9.969 -5.094 -16.661 679 1HZ LYS 77 1HZ LYS 77 12.490 -5.785 -17.655 680 2HZ LYS 77 2HZ LYS 77 11.156 -5.332 -18.481 681 3HZ LYS 77 3HZ LYS 77 12.214 -4.204 -17.958 682 H SER 78 H SER 78 11.918 -1.133 -10.633 683 HA SER 78 HA SER 78 14.127 -1.967 -9.110 684 1HB SER 78 1HB SER 78 14.602 -0.137 -11.473 685 2HB SER 78 2HB SER 78 15.569 0.056 -10.025 686 HG SER 78 HG SER 78 16.270 -1.508 -11.869 687 H ILE 79 H ILE 79 14.906 -0.057 -7.667 688 HA ILE 79 HA ILE 79 12.736 1.126 -6.465 689 HB ILE 79 HB ILE 79 15.639 1.960 -6.446 690 1HG1 ILE 79 1HG1 ILE 79 14.061 0.013 -4.747 691 2HG1 ILE 79 2HG1 ILE 79 15.423 -0.342 -5.791 692 1HG2 ILE 79 1HG2 ILE 79 14.894 2.792 -4.091 693 2HG2 ILE 79 2HG2 ILE 79 14.592 3.802 -5.525 694 3HG2 ILE 79 3HG2 ILE 79 13.271 2.839 -4.822 695 1HD1 ILE 79 1HD1 ILE 79 16.623 1.516 -4.248 696 2HD1 ILE 79 2HD1 ILE 79 15.386 0.970 -3.090 697 3HD1 ILE 79 3HD1 ILE 79 16.545 -0.197 -3.770 698 H GLU 80 H GLU 80 14.811 2.274 -9.148 699 HA GLU 80 HA GLU 80 13.863 4.893 -9.109 700 1HB GLU 80 1HB GLU 80 15.569 3.219 -10.792 701 2HB GLU 80 2HB GLU 80 14.567 4.263 -11.781 702 1HG GLU 80 1HG GLU 80 15.580 5.780 -9.514 703 2HG GLU 80 2HG GLU 80 16.917 4.974 -10.310 704 H GLU 81 H GLU 81 12.860 1.947 -10.961 705 HA GLU 81 HA GLU 81 10.916 3.253 -12.453 706 1HB GLU 81 1HB GLU 81 11.594 0.411 -11.780 707 2HB GLU 81 2HB GLU 81 9.982 0.705 -12.401 708 1HG GLU 81 1HG GLU 81 12.231 2.056 -13.858 709 2HG GLU 81 2HG GLU 81 12.148 0.312 -14.008 710 H GLY 82 H GLY 82 10.906 1.750 -9.204 711 1HA GLY 82 1HA GLY 82 8.196 1.519 -8.732 712 2HA GLY 82 2HA GLY 82 9.418 1.859 -7.522 713 H ILE 83 H ILE 83 10.365 4.388 -8.186 714 HA ILE 83 HA ILE 83 8.427 6.041 -7.111 715 HB ILE 83 HB ILE 83 11.040 6.427 -8.494 716 1HG1 ILE 83 1HG1 ILE 83 10.765 7.797 -6.002 717 2HG1 ILE 83 2HG1 ILE 83 10.078 6.196 -5.808 718 1HG2 ILE 83 1HG2 ILE 83 10.216 8.345 -9.395 719 2HG2 ILE 83 2HG2 ILE 83 8.934 8.510 -8.171 720 3HG2 ILE 83 3HG2 ILE 83 10.611 8.954 -7.770 721 1HD1 ILE 83 1HD1 ILE 83 12.101 5.138 -6.085 722 2HD1 ILE 83 2HD1 ILE 83 12.650 6.294 -7.322 723 3HD1 ILE 83 3HD1 ILE 83 12.748 6.723 -5.597 724 H GLN 84 H GLN 84 9.274 5.305 -10.524 725 HA GLN 84 HA GLN 84 7.791 7.295 -11.691 726 1HB GLN 84 1HB GLN 84 9.015 4.742 -12.500 727 2HB GLN 84 2HB GLN 84 7.575 5.105 -13.430 728 1HG GLN 84 1HG GLN 84 9.554 6.083 -14.527 729 2HG GLN 84 2HG GLN 84 8.477 7.356 -13.988 730 1HE2 GLN 84 1HE2 GLN 84 9.157 8.851 -12.598 731 2HE2 GLN 84 2HE2 GLN 84 10.710 8.896 -11.832 732 H VAL 85 H VAL 85 6.828 4.051 -10.474 733 HA VAL 85 HA VAL 85 4.257 4.029 -11.558 734 HB VAL 85 HB VAL 85 5.766 2.623 -9.433 735 1HG1 VAL 85 1HG1 VAL 85 3.868 2.970 -8.087 736 2HG1 VAL 85 2HG1 VAL 85 2.749 2.797 -9.460 737 3HG1 VAL 85 3HG1 VAL 85 3.602 1.371 -8.821 738 1HG2 VAL 85 1HG2 VAL 85 3.971 1.015 -11.030 739 2HG2 VAL 85 2HG2 VAL 85 4.898 2.124 -12.069 740 3HG2 VAL 85 3HG2 VAL 85 5.750 1.009 -10.973 741 H TYR 86 H TYR 86 5.615 5.417 -8.529 742 HA TYR 86 HA TYR 86 3.056 6.164 -7.519 743 1HB TYR 86 1HB TYR 86 5.931 7.138 -6.979 744 2HB TYR 86 2HB TYR 86 4.577 7.397 -5.898 745 HD1 TYR 86 HD1 TYR 86 7.289 5.990 -5.340 746 HD2 TYR 86 HD2 TYR 86 3.400 4.521 -6.349 747 HE1 TYR 86 HE1 TYR 86 7.805 3.796 -4.163 748 HE2 TYR 86 HE2 TYR 86 3.928 2.332 -5.169 749 HH TYR 86 HH TYR 86 5.991 1.902 -3.012 750 H ARG 87 H ARG 87 5.292 7.489 -9.863 751 HA ARG 87 HA ARG 87 4.546 10.172 -9.464 752 1HB ARG 87 1HB ARG 87 6.559 8.869 -10.853 753 2HB ARG 87 2HB ARG 87 5.516 9.366 -12.171 754 1HG ARG 87 1HG ARG 87 7.157 11.134 -11.743 755 2HG ARG 87 2HG ARG 87 5.563 11.721 -11.315 756 1HD ARG 87 1HD ARG 87 6.001 11.664 -9.006 757 2HD ARG 87 2HD ARG 87 7.196 10.391 -9.152 758 HE ARG 87 HE ARG 87 8.385 12.460 -10.524 759 1HH1 ARG 87 2HH2 ARG 87 6.923 12.241 -7.331 760 2HH1 ARG 87 1HH2 ARG 87 7.936 13.465 -6.643 761 1HH2 ARG 87 2HH1 ARG 87 9.723 14.075 -9.617 762 2HH2 ARG 87 1HH1 ARG 87 9.540 14.515 -7.951 763 H ARG 88 H ARG 88 3.634 7.549 -11.790 764 HA ARG 88 HA ARG 88 1.901 9.182 -13.252 765 1HB ARG 88 1HB ARG 88 1.063 6.982 -14.181 766 2HB ARG 88 2HB ARG 88 2.807 7.140 -14.243 767 1HG ARG 88 1HG ARG 88 3.082 5.741 -12.259 768 2HG ARG 88 2HG ARG 88 1.358 5.746 -11.948 769 1HD ARG 88 1HD ARG 88 1.500 3.708 -13.047 770 2HD ARG 88 2HD ARG 88 1.261 4.736 -14.446 771 HE ARG 88 HE ARG 88 4.079 4.416 -13.679 772 1HH1 ARG 88 2HH2 ARG 88 1.429 3.129 -15.604 773 2HH1 ARG 88 1HH2 ARG 88 2.470 2.306 -16.717 774 1HH2 ARG 88 2HH1 ARG 88 5.452 3.331 -15.148 775 2HH2 ARG 88 1HH1 ARG 88 4.773 2.421 -16.456 776 H PHE 89 H PHE 89 1.590 7.127 -10.349 777 HA PHE 89 HA PHE 89 -1.279 7.242 -10.373 778 1HB PHE 89 1HB PHE 89 0.997 6.023 -8.856 779 2HB PHE 89 2HB PHE 89 -0.359 6.448 -7.831 780 HD1 PHE 89 HD1 PHE 89 -2.415 5.220 -7.923 781 HD2 PHE 89 HD2 PHE 89 0.707 4.361 -10.667 782 HE1 PHE 89 HE1 PHE 89 -3.583 3.101 -8.589 783 HE2 PHE 89 HE2 PHE 89 -0.461 2.241 -11.332 784 HZ PHE 89 HZ PHE 89 -2.592 1.636 -10.285 785 H TYR 90 H TYR 90 1.372 8.517 -8.230 786 HA TYR 90 HA TYR 90 -0.571 10.460 -7.200 787 1HB TYR 90 1HB TYR 90 2.246 9.925 -6.159 788 2HB TYR 90 2HB TYR 90 0.833 10.398 -5.237 789 HD1 TYR 90 HD1 TYR 90 -1.102 8.294 -6.295 790 HD2 TYR 90 HD2 TYR 90 2.947 8.019 -4.939 791 HE1 TYR 90 HE1 TYR 90 -1.479 5.867 -5.639 792 HE2 TYR 90 HE2 TYR 90 2.556 5.593 -4.287 793 HH TYR 90 HH TYR 90 -0.192 3.873 -5.309 794 H ASP 91 H ASP 91 -0.130 12.689 -7.224 795 HA ASP 91 HA ASP 91 1.369 13.572 -9.370 796 1HB ASP 91 1HB ASP 91 0.783 15.345 -6.987 797 2HB ASP 91 2HB ASP 91 0.730 15.755 -8.690 798 H GLU 92 H GLU 92 3.448 14.691 -9.422 799 HA GLU 92 HA GLU 92 5.293 13.720 -7.556 800 1HB GLU 92 1HB GLU 92 6.900 15.239 -8.806 801 2HB GLU 92 2HB GLU 92 6.026 14.102 -9.813 802 1HG GLU 92 1HG GLU 92 5.226 15.824 -11.048 803 2HG GLU 92 2HG GLU 92 4.377 16.431 -9.640 804 H GLU 93 H GLU 93 3.494 16.782 -7.939 805 HA GLU 93 HA GLU 93 5.075 18.162 -6.044 806 1HB GLU 93 1HB GLU 93 3.044 18.800 -7.931 807 2HB GLU 93 2HB GLU 93 2.405 19.278 -6.371 808 1HG GLU 93 1HG GLU 93 5.254 20.015 -6.752 809 2HG GLU 93 2HG GLU 93 4.180 20.772 -7.911 810 H LYS 94 H LYS 94 1.736 16.726 -6.018 811 HA LYS 94 HA LYS 94 1.137 17.318 -3.390 812 1HB LYS 94 1HB LYS 94 -0.731 16.072 -3.737 813 2HB LYS 94 2HB LYS 94 -0.233 16.259 -5.406 814 1HG LYS 94 1HG LYS 94 0.857 14.062 -5.397 815 2HG LYS 94 2HG LYS 94 0.600 13.888 -3.673 816 1HD LYS 94 1HD LYS 94 -1.629 14.105 -5.752 817 2HD LYS 94 2HD LYS 94 -1.074 12.605 -5.036 818 1HE LYS 94 1HE LYS 94 -2.469 12.926 -3.278 819 2HE LYS 94 2HE LYS 94 -1.609 14.394 -2.859 820 1HZ LYS 94 1HZ LYS 94 -4.123 14.111 -4.099 821 2HZ LYS 94 2HZ LYS 94 -3.449 15.438 -3.428 822 3HZ LYS 94 3HZ LYS 94 -3.150 15.073 -4.991 823 H GLU 95 H GLU 95 2.920 14.525 -4.812 824 HA GLU 95 HA GLU 95 3.131 13.128 -2.423 825 1HB GLU 95 1HB GLU 95 3.578 12.332 -4.839 826 2HB GLU 95 2HB GLU 95 5.164 13.062 -4.686 827 1HG GLU 95 1HG GLU 95 4.232 11.185 -2.509 828 2HG GLU 95 2HG GLU 95 4.753 10.498 -4.035 829 H LYS 96 H LYS 96 5.440 15.384 -4.090 830 HA LYS 96 HA LYS 96 7.368 15.253 -2.048 831 1HB LYS 96 1HB LYS 96 6.876 16.875 -4.490 832 2HB LYS 96 2HB LYS 96 7.901 17.606 -3.271 833 1HG LYS 96 1HG LYS 96 8.770 14.907 -3.434 834 2HG LYS 96 2HG LYS 96 8.493 15.393 -5.094 835 1HD LYS 96 1HD LYS 96 9.852 17.517 -3.589 836 2HD LYS 96 2HD LYS 96 10.747 16.013 -3.501 837 1HE LYS 96 1HE LYS 96 10.068 16.050 -6.179 838 2HE LYS 96 2HE LYS 96 10.217 17.766 -5.855 839 1HZ LYS 96 1HZ LYS 96 12.357 16.713 -4.616 840 2HZ LYS 96 2HZ LYS 96 12.243 15.780 -5.951 841 3HZ LYS 96 3HZ LYS 96 12.372 17.401 -6.097 842 H LYS 97 H LYS 97 4.266 16.798 -2.288 843 HA LYS 97 HA LYS 97 4.801 18.997 -0.601 844 1HB LYS 97 1HB LYS 97 2.884 18.736 -2.230 845 2HB LYS 97 2HB LYS 97 2.142 17.632 -1.090 846 1HG LYS 97 1HG LYS 97 2.122 19.388 0.656 847 2HG LYS 97 2HG LYS 97 2.974 20.491 -0.406 848 1HD LYS 97 1HD LYS 97 0.290 19.268 -1.173 849 2HD LYS 97 2HD LYS 97 0.400 20.755 -0.252 850 1HE LYS 97 1HE LYS 97 2.123 21.392 -2.257 851 2HE LYS 97 2HE LYS 97 1.126 20.240 -3.123 852 1HZ LYS 97 1HZ LYS 97 -0.422 21.774 -3.274 853 2HZ LYS 97 2HZ LYS 97 -0.532 21.916 -1.651 854 3HZ LYS 97 3HZ LYS 97 0.515 22.853 -2.483 855 H TYR 98 H TYR 98 3.150 15.815 0.012 856 HA TYR 98 HA TYR 98 3.564 16.261 2.865 857 1HB TYR 98 1HB TYR 98 2.104 14.149 1.157 858 2HB TYR 98 2HB TYR 98 2.030 14.200 2.907 859 HD1 TYR 98 HD1 TYR 98 0.304 15.047 0.010 860 HD2 TYR 98 HD2 TYR 98 1.301 16.649 3.850 861 HE1 TYR 98 HE1 TYR 98 -1.698 16.610 -0.114 862 HE2 TYR 98 HE2 TYR 98 -0.704 18.206 3.713 863 HH TYR 98 HH TYR 98 -2.529 18.694 2.625 864 H GLY 99 H GLY 99 4.038 13.635 0.390 865 1HA GLY 99 1HA GLY 99 6.380 12.784 0.356 866 2HA GLY 99 2HA GLY 99 6.229 12.610 2.093 867 H VAL 100 H VAL 100 6.316 10.379 2.341 868 HA VAL 100 HA VAL 100 4.131 8.911 1.041 869 HB VAL 100 HB VAL 100 6.845 7.724 1.574 870 1HG1 VAL 100 1HG1 VAL 100 6.153 6.026 0.018 871 2HG1 VAL 100 2HG1 VAL 100 4.849 6.247 1.209 872 3HG1 VAL 100 3HG1 VAL 100 4.694 6.947 -0.421 873 1HG2 VAL 100 1HG2 VAL 100 7.012 8.051 -1.055 874 2HG2 VAL 100 2HG2 VAL 100 5.981 9.460 -0.707 875 3HG2 VAL 100 3HG2 VAL 100 7.572 9.306 0.076 876 H VAL 101 H VAL 101 3.354 7.049 2.289 877 HA VAL 101 HA VAL 101 4.211 7.068 5.082 878 HB VAL 101 HB VAL 101 1.836 7.015 5.778 879 1HG1 VAL 101 1HG1 VAL 101 3.177 9.091 5.878 880 2HG1 VAL 101 2HG1 VAL 101 2.613 9.520 4.245 881 3HG1 VAL 101 3HG1 VAL 101 1.451 9.416 5.590 882 1HG2 VAL 101 1HG2 VAL 101 1.356 6.722 3.005 883 2HG2 VAL 101 2HG2 VAL 101 0.160 6.831 4.319 884 3HG2 VAL 101 3HG2 VAL 101 0.687 8.304 3.469 885 H ALA 102 H ALA 102 5.036 5.039 5.277 886 HA ALA 102 HA ALA 102 3.920 2.887 3.733 887 1HB ALA 102 1HB ALA 102 5.694 1.613 5.149 888 2HB ALA 102 2HB ALA 102 6.263 2.812 3.963 889 3HB ALA 102 3HB ALA 102 6.201 3.230 5.692 890 H ILE 103 H ILE 103 1.842 2.367 4.382 891 HA ILE 103 HA ILE 103 1.394 2.035 7.245 892 HB ILE 103 HB ILE 103 -0.950 1.980 6.682 893 1HG1 ILE 103 1HG1 ILE 103 0.029 1.949 3.826 894 2HG1 ILE 103 2HG1 ILE 103 -1.040 0.813 4.625 895 1HG2 ILE 103 1HG2 ILE 103 -0.317 4.297 5.039 896 2HG2 ILE 103 2HG2 ILE 103 -1.028 4.204 6.668 897 3HG2 ILE 103 3HG2 ILE 103 0.740 4.175 6.466 898 1HD1 ILE 103 1HD1 ILE 103 -1.665 3.407 3.362 899 2HD1 ILE 103 2HD1 ILE 103 -2.737 2.030 3.718 900 3HD1 ILE 103 3HD1 ILE 103 -2.379 3.230 4.983 901 H GLU 104 H GLU 104 0.930 0.056 8.199 902 HA GLU 104 HA GLU 104 1.567 -2.201 6.505 903 1HB GLU 104 1HB GLU 104 2.533 -1.574 8.939 904 2HB GLU 104 2HB GLU 104 1.131 -2.481 9.468 905 1HG GLU 104 1HG GLU 104 1.918 -4.494 8.602 906 2HG GLU 104 2HG GLU 104 2.777 -3.722 7.284 907 H ILE 105 H ILE 105 -0.003 -3.555 5.742 908 HA ILE 105 HA ILE 105 -2.618 -3.393 7.069 909 HB ILE 105 HB ILE 105 -3.638 -3.844 4.970 910 1HG1 ILE 105 1HG1 ILE 105 -1.795 -5.412 4.190 911 2HG1 ILE 105 2HG1 ILE 105 -2.546 -4.406 2.968 912 1HG2 ILE 105 1HG2 ILE 105 -3.504 -1.608 4.874 913 2HG2 ILE 105 2HG2 ILE 105 -1.769 -1.589 5.270 914 3HG2 ILE 105 3HG2 ILE 105 -2.297 -1.903 3.600 915 1HD1 ILE 105 1HD1 ILE 105 0.240 -4.486 3.814 916 2HD1 ILE 105 2HD1 ILE 105 -0.483 -3.658 2.413 917 3HD1 ILE 105 3HD1 ILE 105 -0.414 -2.840 3.993 918 H GLU 106 H GLU 106 -3.928 -5.568 6.446 919 HA GLU 106 HA GLU 106 -2.275 -7.866 6.368 920 1HB GLU 106 1HB GLU 106 -2.523 -6.819 8.895 921 2HB GLU 106 2HB GLU 106 -3.910 -7.889 8.861 922 1HG GLU 106 1HG GLU 106 -2.017 -9.162 9.699 923 2HG GLU 106 2HG GLU 106 -2.398 -9.766 8.098 924 HA PRO 107 HA PRO 107 -6.288 -8.690 4.679 925 1HB PRO 107 1HB PRO 107 -5.480 -10.554 2.852 926 2HB PRO 107 2HB PRO 107 -5.525 -8.836 2.512 927 1HG PRO 107 1HG PRO 107 -3.183 -10.558 3.052 928 2HG PRO 107 2HG PRO 107 -3.232 -8.973 2.305 929 1HD PRO 107 1HD PRO 107 -2.425 -9.581 4.990 930 2HD PRO 107 2HD PRO 107 -2.585 -7.988 4.279 931 H LEU 108 H LEU 108 -7.459 -9.568 6.307 932 HA LEU 108 HA LEU 108 -6.690 -12.308 6.985 933 1HB LEU 108 1HB LEU 108 -8.221 -11.932 8.932 934 2HB LEU 108 2HB LEU 108 -6.752 -10.977 8.902 935 HG LEU 108 HG LEU 108 -8.886 -9.508 7.626 936 1HD1 LEU 108 1HD1 LEU 108 -10.124 -11.135 9.283 937 2HD1 LEU 108 2HD1 LEU 108 -9.539 -9.983 10.508 938 3HD1 LEU 108 3HD1 LEU 108 -10.574 -9.417 9.175 939 1HD2 LEU 108 1HD2 LEU 108 -7.170 -8.195 8.380 940 2HD2 LEU 108 2HD2 LEU 108 -8.322 -8.014 9.724 941 3HD2 LEU 108 3HD2 LEU 108 -6.949 -9.137 9.874 942 H GLU 109 H GLU 109 -7.660 -12.378 4.520 943 HA GLU 109 HA GLU 109 -10.473 -13.056 4.901 944 1HB GLU 109 1HB GLU 109 -9.360 -11.243 3.073 945 2HB GLU 109 2HB GLU 109 -9.626 -12.680 2.106 946 1HG GLU 109 1HG GLU 109 -11.914 -12.177 3.871 947 2HG GLU 109 2HG GLU 109 -11.568 -10.769 2.885 948 H TYR 110 H TYR 110 -7.311 -14.224 4.387 949 HA TYR 110 HA TYR 110 -8.092 -16.878 4.228 950 1HB TYR 110 1HB TYR 110 -8.153 -15.340 1.743 951 2HB TYR 110 2HB TYR 110 -6.811 -16.463 1.637 952 HD1 TYR 110 HD1 TYR 110 -9.826 -16.187 0.354 953 HD2 TYR 110 HD2 TYR 110 -7.831 -18.838 3.055 954 HE1 TYR 110 HE1 TYR 110 -11.432 -18.053 -0.280 955 HE2 TYR 110 HE2 TYR 110 -9.443 -20.695 2.411 956 HH TYR 110 HH TYR 110 -12.033 -20.567 1.424 Start of MODEL 17 1 HA MET 1 HA MET 1 -16.001 3.037 10.257 2 1HB MET 1 1HB MET 1 -15.729 1.290 12.641 3 2HB MET 1 2HB MET 1 -14.208 1.480 11.792 4 1HG MET 1 1HG MET 1 -13.967 3.504 12.794 5 2HG MET 1 2HG MET 1 -15.321 4.088 11.847 6 1HE MET 1 1HE MET 1 -15.618 5.708 14.735 7 2HE MET 1 2HE MET 1 -16.179 5.612 13.048 8 3HE MET 1 3HE MET 1 -17.335 5.400 14.385 9 H GLU 2 H GLU 2 -16.969 0.937 8.498 10 HA GLU 2 HA GLU 2 -14.510 -0.496 7.911 11 1HB GLU 2 1HB GLU 2 -17.058 -1.460 8.090 12 2HB GLU 2 2HB GLU 2 -17.008 -1.089 6.378 13 1HG GLU 2 1HG GLU 2 -15.752 -2.931 5.973 14 2HG GLU 2 2HG GLU 2 -14.515 -2.370 7.081 15 H TRP 3 H TRP 3 -13.530 -0.378 5.819 16 HA TRP 3 HA TRP 3 -14.502 1.891 4.220 17 1HB TRP 3 1HB TRP 3 -11.668 0.874 4.277 18 2HB TRP 3 2HB TRP 3 -12.274 2.382 3.620 19 HD1 TRP 3 HD1 TRP 3 -10.785 0.992 6.755 20 HE1 TRP 3 HE1 TRP 3 -10.758 2.729 8.741 21 HE3 TRP 3 HE3 TRP 3 -13.910 4.346 4.556 22 HZ2 TRP 3 HZ2 TRP 3 -12.020 5.254 9.160 23 HZ3 TRP 3 HZ3 TRP 3 -14.462 6.421 5.822 24 HH2 TRP 3 HH2 TRP 3 -13.572 6.901 8.047 25 H GLU 4 H GLU 4 -14.229 1.629 1.845 26 HA GLU 4 HA GLU 4 -13.856 -1.120 1.024 27 1HB GLU 4 1HB GLU 4 -15.923 -0.847 -0.494 28 2HB GLU 4 2HB GLU 4 -16.220 -1.132 1.209 29 1HG GLU 4 1HG GLU 4 -17.402 0.796 1.322 30 2HG GLU 4 2HG GLU 4 -15.960 1.702 0.909 31 H MET 5 H MET 5 -12.640 -1.251 -0.836 32 HA MET 5 HA MET 5 -12.532 1.164 -2.462 33 1HB MET 5 1HB MET 5 -10.158 -0.629 -1.703 34 2HB MET 5 2HB MET 5 -10.067 0.815 -2.692 35 1HG MET 5 1HG MET 5 -11.249 1.917 -0.518 36 2HG MET 5 2HG MET 5 -10.466 0.571 0.284 37 1HE MET 5 1HE MET 5 -9.446 2.060 1.650 38 2HE MET 5 2HE MET 5 -7.792 1.465 1.372 39 3HE MET 5 3HE MET 5 -8.133 3.210 1.298 40 H GLY 6 H GLY 6 -11.150 0.524 -4.618 41 1HA GLY 6 1HA GLY 6 -11.911 -2.181 -5.480 42 2HA GLY 6 2HA GLY 6 -12.516 -0.799 -6.372 43 H LEU 7 H LEU 7 -10.415 -3.091 -6.867 44 HA LEU 7 HA LEU 7 -8.727 -1.508 -8.494 45 1HB LEU 7 1HB LEU 7 -6.591 -2.267 -7.367 46 2HB LEU 7 2HB LEU 7 -7.464 -0.930 -6.644 47 HG LEU 7 HG LEU 7 -8.057 -3.655 -5.588 48 1HD1 LEU 7 1HD1 LEU 7 -5.845 -2.673 -4.097 49 2HD1 LEU 7 2HD1 LEU 7 -5.985 -4.192 -5.015 50 3HD1 LEU 7 3HD1 LEU 7 -5.365 -2.725 -5.810 51 1HD2 LEU 7 1HD2 LEU 7 -8.479 -0.926 -4.825 52 2HD2 LEU 7 2HD2 LEU 7 -9.091 -2.417 -4.068 53 3HD2 LEU 7 3HD2 LEU 7 -7.522 -1.743 -3.565 54 H GLN 8 H GLN 8 -7.297 -2.892 -9.835 55 HA GLN 8 HA GLN 8 -8.573 -5.020 -10.836 56 1HB GLN 8 1HB GLN 8 -5.739 -4.073 -10.857 57 2HB GLN 8 2HB GLN 8 -5.987 -5.728 -11.377 58 1HG GLN 8 1HG GLN 8 -7.991 -4.596 -12.790 59 2HG GLN 8 2HG GLN 8 -6.980 -3.173 -12.628 60 1HE2 GLN 8 1HE2 GLN 8 -6.897 -3.397 -14.974 61 2HE2 GLN 8 2HE2 GLN 8 -5.685 -4.400 -15.699 62 H GLU 9 H GLU 9 -8.501 -7.321 -10.608 63 HA GLU 9 HA GLU 9 -8.353 -8.217 -8.015 64 1HB GLU 9 1HB GLU 9 -9.626 -9.293 -9.891 65 2HB GLU 9 2HB GLU 9 -8.115 -9.860 -10.575 66 1HG GLU 9 1HG GLU 9 -7.667 -11.009 -8.306 67 2HG GLU 9 2HG GLU 9 -9.326 -10.633 -7.885 68 H GLU 10 H GLU 10 -5.912 -8.170 -10.640 69 HA GLU 10 HA GLU 10 -4.102 -9.912 -9.586 70 1HB GLU 10 1HB GLU 10 -4.182 -7.944 -11.659 71 2HB GLU 10 2HB GLU 10 -2.717 -7.643 -10.746 72 1HG GLU 10 1HG GLU 10 -2.266 -10.192 -10.915 73 2HG GLU 10 2HG GLU 10 -3.557 -10.240 -12.099 74 H PHE 11 H PHE 11 -4.566 -6.395 -8.895 75 HA PHE 11 HA PHE 11 -2.344 -6.116 -7.234 76 1HB PHE 11 1HB PHE 11 -4.914 -4.753 -7.932 77 2HB PHE 11 2HB PHE 11 -4.370 -4.379 -6.308 78 HD1 PHE 11 HD1 PHE 11 -3.300 -4.330 -9.861 79 HD2 PHE 11 HD2 PHE 11 -2.662 -2.809 -5.951 80 HE1 PHE 11 HE1 PHE 11 -1.715 -2.618 -10.786 81 HE2 PHE 11 HE2 PHE 11 -1.077 -1.097 -6.876 82 HZ PHE 11 HZ PHE 11 -0.622 -1.022 -9.282 83 H LEU 12 H LEU 12 -5.788 -6.982 -6.534 84 HA LEU 12 HA LEU 12 -5.687 -6.921 -3.800 85 1HB LEU 12 1HB LEU 12 -7.242 -8.494 -5.811 86 2HB LEU 12 2HB LEU 12 -7.387 -8.907 -4.114 87 HG LEU 12 HG LEU 12 -7.911 -6.395 -3.751 88 1HD1 LEU 12 1HD1 LEU 12 -7.278 -5.475 -5.851 89 2HD1 LEU 12 2HD1 LEU 12 -8.296 -6.632 -6.742 90 3HD1 LEU 12 3HD1 LEU 12 -9.052 -5.366 -5.745 91 1HD2 LEU 12 1HD2 LEU 12 -9.463 -8.577 -3.911 92 2HD2 LEU 12 2HD2 LEU 12 -10.105 -6.940 -3.634 93 3HD2 LEU 12 3HD2 LEU 12 -10.138 -7.645 -5.269 94 H GLU 13 H GLU 13 -4.732 -9.598 -6.039 95 HA GLU 13 HA GLU 13 -4.083 -11.362 -3.991 96 1HB GLU 13 1HB GLU 13 -4.414 -11.711 -6.589 97 2HB GLU 13 2HB GLU 13 -2.693 -11.395 -6.680 98 1HG GLU 13 1HG GLU 13 -2.598 -13.684 -6.356 99 2HG GLU 13 2HG GLU 13 -2.612 -13.190 -4.675 100 H LEU 14 H LEU 14 -2.353 -8.662 -5.508 101 HA LEU 14 HA LEU 14 0.223 -9.434 -4.606 102 1HB LEU 14 1HB LEU 14 -0.997 -6.933 -5.729 103 2HB LEU 14 2HB LEU 14 0.627 -6.912 -5.072 104 HG LEU 14 HG LEU 14 -0.416 -8.376 -7.486 105 1HD1 LEU 14 1HD1 LEU 14 1.787 -7.348 -8.386 106 2HD1 LEU 14 2HD1 LEU 14 0.381 -6.291 -8.115 107 3HD1 LEU 14 3HD1 LEU 14 1.711 -6.324 -6.932 108 1HD2 LEU 14 1HD2 LEU 14 1.857 -9.176 -5.722 109 2HD2 LEU 14 2HD2 LEU 14 0.737 -10.174 -6.682 110 3HD2 LEU 14 3HD2 LEU 14 2.067 -9.304 -7.485 111 H ILE 15 H ILE 15 -2.546 -7.686 -3.226 112 HA ILE 15 HA ILE 15 -1.165 -6.420 -1.148 113 HB ILE 15 HB ILE 15 -3.961 -7.058 -1.848 114 1HG1 ILE 15 1HG1 ILE 15 -4.226 -4.647 -1.266 115 2HG1 ILE 15 2HG1 ILE 15 -2.529 -4.585 -0.832 116 1HG2 ILE 15 1HG2 ILE 15 -3.986 -7.916 0.401 117 2HG2 ILE 15 2HG2 ILE 15 -3.137 -6.474 1.008 118 3HG2 ILE 15 3HG2 ILE 15 -4.795 -6.331 0.376 119 1HD1 ILE 15 1HD1 ILE 15 -3.713 -5.182 -3.575 120 2HD1 ILE 15 2HD1 ILE 15 -2.684 -3.807 -3.107 121 3HD1 ILE 15 3HD1 ILE 15 -1.996 -5.446 -3.187 122 H LYS 16 H LYS 16 -2.634 -9.690 -1.483 123 HA LYS 16 HA LYS 16 -2.206 -10.403 1.212 124 1HB LYS 16 1HB LYS 16 -3.610 -11.440 -0.900 125 2HB LYS 16 2HB LYS 16 -2.268 -12.562 -0.802 126 1HG LYS 16 1HG LYS 16 -3.332 -13.574 0.926 127 2HG LYS 16 2HG LYS 16 -3.009 -12.148 1.891 128 1HD LYS 16 1HD LYS 16 -5.386 -12.493 2.001 129 2HD LYS 16 2HD LYS 16 -5.148 -11.120 0.938 130 1HE LYS 16 1HE LYS 16 -6.763 -12.566 -0.137 131 2HE LYS 16 2HE LYS 16 -5.271 -12.712 -1.044 132 1HZ LYS 16 1HZ LYS 16 -6.056 -14.571 1.090 133 2HZ LYS 16 2HZ LYS 16 -6.330 -14.839 -0.497 134 3HZ LYS 16 3HZ LYS 16 -4.799 -14.738 0.061 135 H LEU 17 H LEU 17 -0.297 -10.763 -1.822 136 HA LEU 17 HA LEU 17 1.739 -12.290 -0.582 137 1HB LEU 17 1HB LEU 17 1.361 -10.886 -3.192 138 2HB LEU 17 2HB LEU 17 2.977 -11.379 -2.727 139 HG LEU 17 HG LEU 17 1.005 -13.522 -2.394 140 1HD1 LEU 17 1HD1 LEU 17 0.274 -12.046 -4.473 141 2HD1 LEU 17 2HD1 LEU 17 1.585 -12.953 -5.265 142 3HD1 LEU 17 3HD1 LEU 17 0.226 -13.825 -4.516 143 1HD2 LEU 17 1HD2 LEU 17 3.560 -13.629 -2.355 144 2HD2 LEU 17 2HD2 LEU 17 2.698 -14.875 -3.289 145 3HD2 LEU 17 3HD2 LEU 17 3.473 -13.510 -4.129 146 H ARG 18 H ARG 18 1.348 -8.789 -1.414 147 HA ARG 18 HA ARG 18 3.859 -8.171 -0.283 148 1HB ARG 18 1HB ARG 18 3.264 -5.845 -0.765 149 2HB ARG 18 2HB ARG 18 2.753 -6.835 -2.118 150 1HG ARG 18 1HG ARG 18 0.646 -6.042 -1.864 151 2HG ARG 18 2HG ARG 18 0.555 -6.846 -0.310 152 1HD ARG 18 1HD ARG 18 0.074 -4.461 0.000 153 2HD ARG 18 2HD ARG 18 1.597 -4.837 0.781 154 HE ARG 18 HE ARG 18 2.719 -3.492 -0.782 155 1HH1 ARG 18 2HH2 ARG 18 -0.543 -4.148 -1.927 156 2HH1 ARG 18 1HH2 ARG 18 -0.443 -3.026 -3.243 157 1HH2 ARG 18 2HH1 ARG 18 2.851 -2.012 -2.518 158 2HH2 ARG 18 1HH1 ARG 18 1.500 -1.803 -3.581 159 H LYS 19 H LYS 19 1.171 -9.302 1.190 160 HA LYS 19 HA LYS 19 0.692 -7.369 3.201 161 1HB LYS 19 1HB LYS 19 -0.968 -8.754 3.821 162 2HB LYS 19 2HB LYS 19 -0.637 -9.547 2.294 163 1HG LYS 19 1HG LYS 19 1.123 -10.954 3.635 164 2HG LYS 19 2HG LYS 19 0.308 -10.358 5.067 165 1HD LYS 19 1HD LYS 19 -1.615 -11.591 4.668 166 2HD LYS 19 2HD LYS 19 -1.476 -11.455 2.926 167 1HE LYS 19 1HE LYS 19 0.071 -13.245 2.770 168 2HE LYS 19 2HE LYS 19 0.569 -13.098 4.443 169 1HZ LYS 19 1HZ LYS 19 -1.738 -13.792 5.014 170 2HZ LYS 19 2HZ LYS 19 -1.973 -14.158 3.440 171 3HZ LYS 19 3HZ LYS 19 -0.830 -14.946 4.300 172 H LYS 20 H LYS 20 3.089 -9.912 2.681 173 HA LYS 20 HA LYS 20 3.893 -9.900 5.451 174 1HB LYS 20 1HB LYS 20 4.043 -11.735 3.374 175 2HB LYS 20 2HB LYS 20 5.695 -11.172 3.522 176 1HG LYS 20 1HG LYS 20 5.175 -11.481 6.154 177 2HG LYS 20 2HG LYS 20 3.991 -12.619 5.542 178 1HD LYS 20 1HD LYS 20 5.588 -14.134 4.922 179 2HD LYS 20 2HD LYS 20 6.612 -12.904 4.209 180 1HE LYS 20 1HE LYS 20 6.512 -12.674 7.147 181 2HE LYS 20 2HE LYS 20 7.073 -14.254 6.637 182 1HZ LYS 20 1HZ LYS 20 8.165 -11.715 5.638 183 2HZ LYS 20 2HZ LYS 20 8.846 -12.618 6.816 184 3HZ LYS 20 3HZ LYS 20 8.731 -13.209 5.298 185 H LYS 21 H LYS 21 4.010 -7.542 3.278 186 HA LYS 21 HA LYS 21 6.693 -6.725 4.134 187 1HB LYS 21 1HB LYS 21 5.507 -6.446 1.358 188 2HB LYS 21 2HB LYS 21 6.947 -5.609 1.901 189 1HG LYS 21 1HG LYS 21 8.243 -7.475 1.692 190 2HG LYS 21 2HG LYS 21 7.075 -8.482 2.525 191 1HD LYS 21 1HD LYS 21 5.693 -8.544 0.394 192 2HD LYS 21 2HD LYS 21 6.973 -7.662 -0.416 193 1HE LYS 21 1HE LYS 21 7.715 -10.175 1.085 194 2HE LYS 21 2HE LYS 21 6.884 -10.348 -0.448 195 1HZ LYS 21 1HZ LYS 21 9.532 -9.375 0.080 196 2HZ LYS 21 2HZ LYS 21 8.952 -10.164 -1.227 197 3HZ LYS 21 3HZ LYS 21 8.716 -8.555 -1.074 198 H ILE 22 H ILE 22 4.761 -4.737 1.981 199 HA ILE 22 HA ILE 22 3.288 -3.435 4.031 200 HB ILE 22 HB ILE 22 5.991 -2.645 3.719 201 1HG1 ILE 22 1HG1 ILE 22 4.733 -2.699 5.815 202 2HG1 ILE 22 2HG1 ILE 22 5.454 -1.126 5.542 203 1HG2 ILE 22 1HG2 ILE 22 4.160 -0.356 3.003 204 2HG2 ILE 22 2HG2 ILE 22 5.938 -0.417 2.986 205 3HG2 ILE 22 3HG2 ILE 22 5.005 -1.319 1.768 206 1HD1 ILE 22 1HD1 ILE 22 2.565 -1.809 4.836 207 2HD1 ILE 22 2HD1 ILE 22 3.067 -1.014 6.347 208 3HD1 ILE 22 3HD1 ILE 22 3.322 -0.199 4.785 209 H GLU 23 H GLU 23 2.450 -1.188 2.985 210 HA GLU 23 HA GLU 23 2.184 -1.556 0.130 211 1HB GLU 23 1HB GLU 23 0.260 -2.772 1.024 212 2HB GLU 23 2HB GLU 23 -0.167 -1.429 2.066 213 1HG GLU 23 1HG GLU 23 -1.026 -0.150 0.316 214 2HG GLU 23 2HG GLU 23 0.066 -0.835 -0.871 215 H GLY 24 H GLY 24 3.662 0.346 0.267 216 1HA GLY 24 1HA GLY 24 3.150 2.717 1.558 217 2HA GLY 24 2HA GLY 24 3.999 2.558 0.034 218 H ARG 25 H ARG 25 2.600 4.864 0.341 219 HA ARG 25 HA ARG 25 1.138 5.138 -1.818 220 1HB ARG 25 1HB ARG 25 -0.460 3.672 0.182 221 2HB ARG 25 2HB ARG 25 -1.258 5.150 -0.318 222 1HG ARG 25 1HG ARG 25 -0.268 4.050 -2.726 223 2HG ARG 25 2HG ARG 25 -0.844 2.662 -1.825 224 1HD ARG 25 1HD ARG 25 -2.973 4.209 -1.373 225 2HD ARG 25 2HD ARG 25 -2.401 5.075 -2.785 226 HE ARG 25 HE ARG 25 -2.404 2.263 -3.362 227 1HH1 ARG 25 2HH2 ARG 25 -4.637 4.934 -2.853 228 2HH1 ARG 25 1HH2 ARG 25 -5.887 4.244 -3.834 229 1HH2 ARG 25 2HH1 ARG 25 -4.052 1.352 -4.656 230 2HH2 ARG 25 1HH1 ARG 25 -5.552 2.192 -4.866 231 H LEU 26 H LEU 26 1.247 7.357 -1.974 232 HA LEU 26 HA LEU 26 1.933 9.073 -0.046 233 1HB LEU 26 1HB LEU 26 1.937 10.244 -1.920 234 2HB LEU 26 2HB LEU 26 0.719 9.226 -2.662 235 HG LEU 26 HG LEU 26 -0.995 10.567 -1.276 236 1HD1 LEU 26 1HD1 LEU 26 1.271 12.573 -1.179 237 2HD1 LEU 26 2HD1 LEU 26 -0.383 12.763 -0.549 238 3HD1 LEU 26 3HD1 LEU 26 0.731 11.600 0.210 239 1HD2 LEU 26 1HD2 LEU 26 0.101 12.484 -3.203 240 2HD2 LEU 26 2HD2 LEU 26 -0.025 10.825 -3.837 241 3HD2 LEU 26 3HD2 LEU 26 -1.465 11.638 -3.179 242 H TYR 27 H TYR 27 1.036 10.178 1.670 243 HA TYR 27 HA TYR 27 -1.397 9.117 2.709 244 1HB TYR 27 1HB TYR 27 0.888 10.147 3.742 245 2HB TYR 27 2HB TYR 27 0.035 11.670 3.587 246 HD1 TYR 27 HD1 TYR 27 -0.406 12.320 5.796 247 HD2 TYR 27 HD2 TYR 27 -1.322 8.324 4.571 248 HE1 TYR 27 HE1 TYR 27 -1.561 11.895 8.021 249 HE2 TYR 27 HE2 TYR 27 -2.473 7.912 6.800 250 HH TYR 27 HH TYR 27 -2.040 9.841 9.434 251 H ASP 28 H ASP 28 -3.337 9.673 1.820 252 HA ASP 28 HA ASP 28 -3.616 12.419 0.932 253 1HB ASP 28 1HB ASP 28 -5.526 10.070 0.545 254 2HB ASP 28 2HB ASP 28 -5.616 11.622 -0.263 255 H GLU 29 H GLU 29 -6.432 12.701 1.143 256 HA GLU 29 HA GLU 29 -6.685 13.254 3.878 257 1HB GLU 29 1HB GLU 29 -8.510 13.430 1.473 258 2HB GLU 29 2HB GLU 29 -9.178 13.672 3.075 259 1HG GLU 29 1HG GLU 29 -7.724 15.549 3.515 260 2HG GLU 29 2HG GLU 29 -6.699 15.175 2.144 261 H LYS 30 H LYS 30 -8.014 10.713 1.689 262 HA LYS 30 HA LYS 30 -9.736 9.576 3.586 263 1HB LYS 30 1HB LYS 30 -8.934 9.121 0.874 264 2HB LYS 30 2HB LYS 30 -8.826 7.600 1.738 265 1HG LYS 30 1HG LYS 30 -11.268 9.369 2.087 266 2HG LYS 30 2HG LYS 30 -11.133 8.334 0.679 267 1HD LYS 30 1HD LYS 30 -11.303 6.366 1.922 268 2HD LYS 30 2HD LYS 30 -10.566 7.070 3.348 269 1HE LYS 30 1HE LYS 30 -12.703 7.155 4.162 270 2HE LYS 30 2HE LYS 30 -12.861 8.589 3.168 271 1HZ LYS 30 1HZ LYS 30 -13.313 6.554 1.453 272 2HZ LYS 30 2HZ LYS 30 -14.044 6.042 2.820 273 3HZ LYS 30 3HZ LYS 30 -14.461 7.476 2.160 274 H ARG 31 H ARG 31 -6.304 8.913 2.673 275 HA ARG 31 HA ARG 31 -6.037 6.721 4.332 276 1HB ARG 31 1HB ARG 31 -4.411 8.183 2.541 277 2HB ARG 31 2HB ARG 31 -3.573 8.323 4.074 278 1HG ARG 31 1HG ARG 31 -2.709 6.321 3.113 279 2HG ARG 31 2HG ARG 31 -3.859 5.764 4.313 280 1HD ARG 31 1HD ARG 31 -4.222 4.501 2.251 281 2HD ARG 31 2HD ARG 31 -5.605 5.546 2.507 282 HE ARG 31 HE ARG 31 -3.506 6.770 0.862 283 1HH1 ARG 31 2HH2 ARG 31 -6.395 4.761 0.842 284 2HH1 ARG 31 1HH2 ARG 31 -6.768 5.092 -0.816 285 1HH2 ARG 31 2HH1 ARG 31 -3.998 7.207 -1.326 286 2HH2 ARG 31 1HH1 ARG 31 -5.396 6.492 -2.058 287 H ARG 32 H ARG 32 -5.891 10.229 4.906 288 HA ARG 32 HA ARG 32 -4.489 10.165 7.285 289 1HB ARG 32 1HB ARG 32 -6.287 12.081 5.857 290 2HB ARG 32 2HB ARG 32 -6.167 12.341 7.586 291 1HG ARG 32 1HG ARG 32 -3.647 12.335 7.375 292 2HG ARG 32 2HG ARG 32 -3.819 12.177 5.638 293 1HD ARG 32 1HD ARG 32 -3.761 14.472 5.658 294 2HD ARG 32 2HD ARG 32 -5.457 14.337 6.077 295 HE ARG 32 HE ARG 32 -4.073 14.142 8.516 296 1HH1 ARG 32 2HH2 ARG 32 -4.382 16.516 5.937 297 2HH1 ARG 32 1HH2 ARG 32 -4.113 17.872 6.980 298 1HH2 ARG 32 2HH1 ARG 32 -3.718 15.932 9.892 299 2HH2 ARG 32 1HH1 ARG 32 -3.733 17.538 9.245 300 H GLN 33 H GLN 33 -7.989 9.830 6.497 301 HA GLN 33 HA GLN 33 -8.832 9.911 9.170 302 1HB GLN 33 1HB GLN 33 -10.017 9.638 6.542 303 2HB GLN 33 2HB GLN 33 -10.696 8.411 7.593 304 1HG GLN 33 1HG GLN 33 -10.501 10.937 9.037 305 2HG GLN 33 2HG GLN 33 -11.344 11.190 7.522 306 1HE2 GLN 33 1HE2 GLN 33 -12.923 9.337 6.972 307 2HE2 GLN 33 2HE2 GLN 33 -14.004 8.852 8.235 308 H ILE 34 H ILE 34 -7.348 7.466 7.155 309 HA ILE 34 HA ILE 34 -8.393 5.212 8.521 310 HB ILE 34 HB ILE 34 -6.054 5.654 6.678 311 1HG1 ILE 34 1HG1 ILE 34 -8.799 4.420 6.350 312 2HG1 ILE 34 2HG1 ILE 34 -8.176 5.866 5.581 313 1HG2 ILE 34 1HG2 ILE 34 -6.000 3.120 6.546 314 2HG2 ILE 34 2HG2 ILE 34 -5.320 3.855 8.017 315 3HG2 ILE 34 3HG2 ILE 34 -6.939 3.117 8.058 316 1HD1 ILE 34 1HD1 ILE 34 -6.323 4.333 4.584 317 2HD1 ILE 34 2HD1 ILE 34 -7.367 2.981 5.084 318 3HD1 ILE 34 3HD1 ILE 34 -7.966 4.182 3.915 319 H LYS 35 H LYS 35 -7.529 3.999 10.224 320 HA LYS 35 HA LYS 35 -5.037 4.904 11.389 321 1HB LYS 35 1HB LYS 35 -5.839 5.715 13.364 322 2HB LYS 35 2HB LYS 35 -7.138 6.223 12.305 323 1HG LYS 35 1HG LYS 35 -7.911 3.629 12.984 324 2HG LYS 35 2HG LYS 35 -7.153 4.189 14.461 325 1HD LYS 35 1HD LYS 35 -9.039 6.095 13.100 326 2HD LYS 35 2HD LYS 35 -9.753 4.691 13.868 327 1HE LYS 35 1HE LYS 35 -9.692 6.480 15.513 328 2HE LYS 35 2HE LYS 35 -8.515 5.275 15.997 329 1HZ LYS 35 1HZ LYS 35 -6.903 6.741 15.754 330 2HZ LYS 35 2HZ LYS 35 -7.379 7.184 14.256 331 3HZ LYS 35 3HZ LYS 35 -8.032 7.906 15.567 332 HA PRO 36 HA PRO 36 -4.793 0.749 12.552 333 1HB PRO 36 1HB PRO 36 -3.669 0.735 15.043 334 2HB PRO 36 2HB PRO 36 -2.746 0.999 13.577 335 1HG PRO 36 1HG PRO 36 -3.585 2.965 15.619 336 2HG PRO 36 2HG PRO 36 -2.334 3.113 14.401 337 1HD PRO 36 1HD PRO 36 -4.944 4.301 14.333 338 2HD PRO 36 2HD PRO 36 -3.736 4.353 13.065 339 H GLY 37 H GLY 37 -6.926 0.058 12.438 340 1HA GLY 37 1HA GLY 37 -8.017 -1.391 14.310 341 2HA GLY 37 2HA GLY 37 -8.388 0.187 14.977 342 H ASP 38 H ASP 38 -8.397 -1.271 11.637 343 HA ASP 38 HA ASP 38 -11.211 -0.957 11.494 344 1HB ASP 38 1HB ASP 38 -10.636 0.427 9.191 345 2HB ASP 38 2HB ASP 38 -11.147 1.180 10.689 346 H VAL 39 H VAL 39 -11.779 -1.377 8.900 347 HA VAL 39 HA VAL 39 -9.788 -3.226 7.819 348 HB VAL 39 HB VAL 39 -12.724 -3.847 8.200 349 1HG1 VAL 39 1HG1 VAL 39 -10.530 -5.669 7.171 350 2HG1 VAL 39 2HG1 VAL 39 -12.280 -5.989 7.228 351 3HG1 VAL 39 3HG1 VAL 39 -11.635 -4.758 6.115 352 1HG2 VAL 39 1HG2 VAL 39 -12.061 -4.371 10.290 353 2HG2 VAL 39 2HG2 VAL 39 -11.343 -5.807 9.521 354 3HG2 VAL 39 3HG2 VAL 39 -10.336 -4.377 9.851 355 H ILE 40 H ILE 40 -9.940 -3.506 5.505 356 HA ILE 40 HA ILE 40 -11.716 -1.554 4.223 357 HB ILE 40 HB ILE 40 -8.835 -2.071 3.484 358 1HG1 ILE 40 1HG1 ILE 40 -9.708 0.577 4.518 359 2HG1 ILE 40 2HG1 ILE 40 -9.578 -0.714 5.696 360 1HG2 ILE 40 1HG2 ILE 40 -9.091 -0.250 1.926 361 2HG2 ILE 40 2HG2 ILE 40 -10.342 -1.475 1.606 362 3HG2 ILE 40 3HG2 ILE 40 -10.765 0.027 2.461 363 1HD1 ILE 40 1HD1 ILE 40 -7.419 0.368 5.589 364 2HD1 ILE 40 2HD1 ILE 40 -7.247 -1.208 4.778 365 3HD1 ILE 40 3HD1 ILE 40 -7.398 0.279 3.811 366 H SER 41 H SER 41 -12.861 -2.328 2.496 367 HA SER 41 HA SER 41 -12.274 -5.092 1.809 368 1HB SER 41 1HB SER 41 -14.543 -5.421 1.460 369 2HB SER 41 2HB SER 41 -14.608 -4.168 2.683 370 HG SER 41 HG SER 41 -15.977 -3.455 1.073 371 H PHE 42 H PHE 42 -11.456 -5.555 -0.210 372 HA PHE 42 HA PHE 42 -11.392 -3.345 -2.119 373 1HB PHE 42 1HB PHE 42 -9.860 -5.965 -1.670 374 2HB PHE 42 2HB PHE 42 -9.667 -5.059 -3.157 375 HD1 PHE 42 HD1 PHE 42 -9.793 -4.133 0.467 376 HD2 PHE 42 HD2 PHE 42 -7.683 -3.905 -3.208 377 HE1 PHE 42 HE1 PHE 42 -8.039 -2.710 1.562 378 HE2 PHE 42 HE2 PHE 42 -5.929 -2.482 -2.113 379 HZ PHE 42 HZ PHE 42 -6.128 -1.901 0.259 380 H GLU 43 H GLU 43 -12.616 -3.393 -3.949 381 HA GLU 43 HA GLU 43 -13.909 -4.102 -5.542 382 1HB GLU 43 1HB GLU 43 -12.524 -6.757 -5.003 383 2HB GLU 43 2HB GLU 43 -13.701 -6.566 -6.287 384 1HG GLU 43 1HG GLU 43 -11.341 -4.664 -6.053 385 2HG GLU 43 2HG GLU 43 -11.163 -6.215 -6.849 386 H GLY 44 H GLY 44 -15.034 -3.828 -2.974 387 1HA GLY 44 1HA GLY 44 -17.231 -4.179 -2.316 388 2HA GLY 44 2HA GLY 44 -17.277 -5.692 -3.198 389 H GLY 45 H GLY 45 -15.429 -7.345 -2.343 390 1HA GLY 45 1HA GLY 45 -14.787 -7.199 0.427 391 2HA GLY 45 2HA GLY 45 -16.198 -8.205 0.165 392 H LYS 46 H LYS 46 -13.668 -7.844 -2.325 393 HA LYS 46 HA LYS 46 -13.265 -10.676 -2.311 394 1HB LYS 46 1HB LYS 46 -13.300 -8.934 -4.294 395 2HB LYS 46 2HB LYS 46 -11.599 -8.759 -3.911 396 1HG LYS 46 1HG LYS 46 -12.516 -11.585 -4.012 397 2HG LYS 46 2HG LYS 46 -12.677 -10.737 -5.538 398 1HD LYS 46 1HD LYS 46 -10.236 -9.952 -5.209 399 2HD LYS 46 2HD LYS 46 -10.139 -11.098 -3.887 400 1HE LYS 46 1HE LYS 46 -10.899 -11.825 -6.758 401 2HE LYS 46 2HE LYS 46 -9.302 -12.038 -6.068 402 1HZ LYS 46 1HZ LYS 46 -10.199 -13.547 -4.485 403 2HZ LYS 46 2HZ LYS 46 -11.734 -13.265 -4.966 404 3HZ LYS 46 3HZ LYS 46 -10.692 -14.027 -5.966 405 H LEU 47 H LEU 47 -11.487 -7.741 -1.254 406 HA LEU 47 HA LEU 47 -9.654 -9.545 0.151 407 1HB LEU 47 1HB LEU 47 -8.982 -7.926 -2.037 408 2HB LEU 47 2HB LEU 47 -8.387 -7.067 -0.631 409 HG LEU 47 HG LEU 47 -6.721 -8.578 -1.696 410 1HD1 LEU 47 1HD1 LEU 47 -7.294 -9.568 1.090 411 2HD1 LEU 47 2HD1 LEU 47 -5.729 -9.248 0.306 412 3HD1 LEU 47 3HD1 LEU 47 -6.780 -7.892 0.783 413 1HD2 LEU 47 1HD2 LEU 47 -8.477 -10.354 -2.239 414 2HD2 LEU 47 2HD2 LEU 47 -6.889 -10.918 -1.668 415 3HD2 LEU 47 3HD2 LEU 47 -8.278 -10.897 -0.556 416 H LYS 48 H LYS 48 -9.883 -9.257 2.296 417 HA LYS 48 HA LYS 48 -10.752 -6.593 3.176 418 1HB LYS 48 1HB LYS 48 -11.125 -9.174 4.704 419 2HB LYS 48 2HB LYS 48 -11.889 -7.624 4.990 420 1HG LYS 48 1HG LYS 48 -12.267 -9.206 2.408 421 2HG LYS 48 2HG LYS 48 -13.335 -9.367 3.789 422 1HD LYS 48 1HD LYS 48 -13.137 -6.578 3.402 423 2HD LYS 48 2HD LYS 48 -13.205 -7.226 1.775 424 1HE LYS 48 1HE LYS 48 -15.491 -6.876 2.438 425 2HE LYS 48 2HE LYS 48 -15.235 -8.608 2.506 426 1HZ LYS 48 1HZ LYS 48 -16.001 -8.389 4.560 427 2HZ LYS 48 2HZ LYS 48 -14.524 -7.819 4.958 428 3HZ LYS 48 3HZ LYS 48 -15.740 -6.779 4.631 429 H VAL 49 H VAL 49 -9.094 -5.408 3.951 430 HA VAL 49 HA VAL 49 -6.996 -6.877 5.394 431 HB VAL 49 HB VAL 49 -5.465 -5.150 4.696 432 1HG1 VAL 49 1HG1 VAL 49 -6.975 -6.777 2.750 433 2HG1 VAL 49 2HG1 VAL 49 -6.041 -5.441 2.037 434 3HG1 VAL 49 3HG1 VAL 49 -5.223 -6.662 3.040 435 1HG2 VAL 49 1HG2 VAL 49 -7.118 -3.279 4.672 436 2HG2 VAL 49 2HG2 VAL 49 -6.070 -3.323 3.234 437 3HG2 VAL 49 3HG2 VAL 49 -7.749 -3.906 3.130 438 H ARG 50 H ARG 50 -6.107 -5.836 7.309 439 HA ARG 50 HA ARG 50 -7.918 -3.817 8.364 440 1HB ARG 50 1HB ARG 50 -8.530 -5.709 9.644 441 2HB ARG 50 2HB ARG 50 -6.912 -6.382 9.617 442 1HG ARG 50 1HG ARG 50 -6.108 -4.704 11.205 443 2HG ARG 50 2HG ARG 50 -7.611 -3.809 11.102 444 1HD ARG 50 1HD ARG 50 -8.523 -5.085 12.744 445 2HD ARG 50 2HD ARG 50 -8.257 -6.538 11.802 446 HE ARG 50 HE ARG 50 -6.365 -7.006 13.099 447 1HH1 ARG 50 2HH2 ARG 50 -7.238 -3.623 13.516 448 2HH1 ARG 50 1HH2 ARG 50 -6.086 -3.349 14.780 449 1HH2 ARG 50 2HH1 ARG 50 -4.846 -6.646 14.768 450 2HH2 ARG 50 1HH1 ARG 50 -4.716 -5.080 15.497 451 H VAL 51 H VAL 51 -6.768 -1.938 8.677 452 HA VAL 51 HA VAL 51 -4.053 -1.700 8.461 453 HB VAL 51 HB VAL 51 -6.062 -0.018 9.968 454 1HG1 VAL 51 1HG1 VAL 51 -4.417 1.315 10.663 455 2HG1 VAL 51 2HG1 VAL 51 -3.222 0.178 9.994 456 3HG1 VAL 51 3HG1 VAL 51 -3.842 1.512 8.990 457 1HG2 VAL 51 1HG2 VAL 51 -5.380 1.350 7.694 458 2HG2 VAL 51 2HG2 VAL 51 -5.326 -0.337 7.129 459 3HG2 VAL 51 3HG2 VAL 51 -6.812 0.307 7.868 460 H LYS 52 H LYS 52 -2.299 -2.046 9.758 461 HA LYS 52 HA LYS 52 -2.899 -3.057 12.438 462 1HB LYS 52 1HB LYS 52 -0.809 -3.630 10.391 463 2HB LYS 52 2HB LYS 52 -0.321 -3.719 12.071 464 1HG LYS 52 1HG LYS 52 -2.869 -5.083 11.133 465 2HG LYS 52 2HG LYS 52 -1.315 -5.864 10.923 466 1HD LYS 52 1HD LYS 52 -2.297 -4.808 13.613 467 2HD LYS 52 2HD LYS 52 -2.559 -6.456 13.080 468 1HE LYS 52 1HE LYS 52 0.261 -5.511 12.841 469 2HE LYS 52 2HE LYS 52 -0.340 -5.604 14.485 470 1HZ LYS 52 1HZ LYS 52 -1.191 -7.892 13.664 471 2HZ LYS 52 2HZ LYS 52 -0.009 -7.738 12.549 472 3HZ LYS 52 3HZ LYS 52 0.361 -7.715 14.139 473 H ALA 53 H ALA 53 -0.863 -0.721 10.594 474 HA ALA 53 HA ALA 53 -0.880 1.057 12.822 475 1HB ALA 53 1HB ALA 53 0.877 -0.243 13.726 476 2HB ALA 53 2HB ALA 53 1.610 -0.524 12.128 477 3HB ALA 53 3HB ALA 53 1.708 1.086 12.881 478 H ILE 54 H ILE 54 0.457 3.090 12.230 479 HA ILE 54 HA ILE 54 0.446 3.375 9.305 480 HB ILE 54 HB ILE 54 -1.370 4.516 10.903 481 1HG1 ILE 54 1HG1 ILE 54 -1.270 6.441 9.066 482 2HG1 ILE 54 2HG1 ILE 54 -0.117 5.353 8.319 483 1HG2 ILE 54 1HG2 ILE 54 -0.755 6.872 11.302 484 2HG2 ILE 54 2HG2 ILE 54 0.217 5.736 12.267 485 3HG2 ILE 54 3HG2 ILE 54 0.919 6.501 10.821 486 1HD1 ILE 54 1HD1 ILE 54 -2.569 5.024 7.642 487 2HD1 ILE 54 2HD1 ILE 54 -1.720 3.561 8.196 488 3HD1 ILE 54 3HD1 ILE 54 -2.845 4.404 9.288 489 H ARG 55 H ARG 55 2.079 4.760 8.402 490 HA ARG 55 HA ARG 55 4.041 5.758 10.231 491 1HB ARG 55 1HB ARG 55 4.459 3.334 8.517 492 2HB ARG 55 2HB ARG 55 5.762 4.507 8.483 493 1HG ARG 55 1HG ARG 55 4.862 4.119 11.231 494 2HG ARG 55 2HG ARG 55 5.225 2.566 10.505 495 1HD ARG 55 1HD ARG 55 7.487 3.043 10.257 496 2HD ARG 55 2HD ARG 55 7.212 4.751 9.979 497 HE ARG 55 HE ARG 55 7.424 5.130 12.276 498 1HH1 ARG 55 2HH2 ARG 55 6.749 1.718 11.740 499 2HH1 ARG 55 1HH2 ARG 55 6.975 1.282 13.401 500 1HH2 ARG 55 2HH1 ARG 55 7.723 4.555 14.467 501 2HH2 ARG 55 1HH1 ARG 55 7.533 2.906 14.963 502 H VAL 56 H VAL 56 5.371 7.419 9.250 503 HA VAL 56 HA VAL 56 4.657 8.029 6.467 504 HB VAL 56 HB VAL 56 5.150 10.118 8.576 505 1HG1 VAL 56 1HG1 VAL 56 3.298 10.922 6.574 506 2HG1 VAL 56 2HG1 VAL 56 4.961 11.498 6.836 507 3HG1 VAL 56 3HG1 VAL 56 4.656 10.123 5.747 508 1HG2 VAL 56 1HG2 VAL 56 2.764 8.421 8.224 509 2HG2 VAL 56 2HG2 VAL 56 3.266 9.431 9.602 510 3HG2 VAL 56 3HG2 VAL 56 2.431 10.170 8.214 511 H TYR 57 H TYR 57 6.346 8.775 5.148 512 HA TYR 57 HA TYR 57 8.985 8.816 6.449 513 1HB TYR 57 1HB TYR 57 7.949 7.646 3.797 514 2HB TYR 57 2HB TYR 57 9.661 7.834 4.115 515 HD1 TYR 57 HD1 TYR 57 10.837 6.052 5.047 516 HD2 TYR 57 HD2 TYR 57 6.605 6.276 5.635 517 HE1 TYR 57 HE1 TYR 57 10.867 3.780 6.188 518 HE2 TYR 57 HE2 TYR 57 6.650 4.003 6.773 519 HH TYR 57 HH TYR 57 9.544 2.547 7.775 520 H ASN 58 H ASN 58 10.650 9.742 4.651 521 HA ASN 58 HA ASN 58 9.765 12.388 4.270 522 1HB ASN 58 1HB ASN 58 12.264 10.945 4.283 523 2HB ASN 58 2HB ASN 58 12.178 11.801 2.757 524 1HD2 ASN 58 1HD2 ASN 58 14.075 12.457 4.564 525 2HD2 ASN 58 2HD2 ASN 58 13.778 14.013 5.265 526 H SER 59 H SER 59 10.586 9.552 2.162 527 HA SER 59 HA SER 59 8.786 10.511 0.183 528 1HB SER 59 1HB SER 59 11.022 11.722 -0.253 529 2HB SER 59 2HB SER 59 11.688 10.154 -0.664 530 HG SER 59 HG SER 59 10.501 11.743 -2.344 531 H PHE 60 H PHE 60 8.516 8.846 -1.599 532 HA PHE 60 HA PHE 60 8.286 6.314 -0.589 533 1HB PHE 60 1HB PHE 60 8.106 7.785 -3.133 534 2HB PHE 60 2HB PHE 60 8.763 6.188 -3.432 535 HD1 PHE 60 HD1 PHE 60 5.836 7.962 -3.418 536 HD2 PHE 60 HD2 PHE 60 7.407 4.296 -1.969 537 HE1 PHE 60 HE1 PHE 60 3.521 6.996 -3.352 538 HE2 PHE 60 HE2 PHE 60 5.091 3.330 -1.903 539 HZ PHE 60 HZ PHE 60 3.176 4.692 -2.595 540 H ARG 61 H ARG 61 11.080 7.888 -2.150 541 HA ARG 61 HA ARG 61 12.462 5.606 -2.816 542 1HB ARG 61 1HB ARG 61 12.917 8.203 -3.245 543 2HB ARG 61 2HB ARG 61 13.901 8.076 -1.801 544 1HG ARG 61 1HG ARG 61 14.310 5.928 -3.850 545 2HG ARG 61 2HG ARG 61 14.834 7.535 -4.314 546 1HD ARG 61 1HD ARG 61 15.616 6.618 -1.560 547 2HD ARG 61 2HD ARG 61 16.408 5.816 -2.903 548 HE ARG 61 HE ARG 61 16.731 8.625 -2.102 549 1HH1 ARG 61 2HH2 ARG 61 17.143 6.279 -4.692 550 2HH1 ARG 61 1HH2 ARG 61 18.353 7.207 -5.513 551 1HH2 ARG 61 2HH1 ARG 61 18.327 9.850 -3.185 552 2HH2 ARG 61 1HH1 ARG 61 19.031 9.252 -4.650 553 H GLU 62 H GLU 62 12.262 7.494 0.246 554 HA GLU 62 HA GLU 62 14.306 6.036 1.515 555 1HB GLU 62 1HB GLU 62 12.332 8.137 2.243 556 2HB GLU 62 2HB GLU 62 12.802 7.098 3.573 557 1HG GLU 62 1HG GLU 62 15.266 7.554 2.513 558 2HG GLU 62 2HG GLU 62 14.470 9.022 1.981 559 H MET 63 H MET 63 10.847 5.566 0.979 560 HA MET 63 HA MET 63 10.524 3.729 3.106 561 1HB MET 63 1HB MET 63 8.938 4.823 0.808 562 2HB MET 63 2HB MET 63 8.468 3.210 1.307 563 1HG MET 63 1HG MET 63 8.615 4.349 3.765 564 2HG MET 63 2HG MET 63 8.293 5.799 2.834 565 1HE MET 63 1HE MET 63 5.249 4.296 0.679 566 2HE MET 63 2HE MET 63 6.921 4.866 0.466 567 3HE MET 63 3HE MET 63 6.589 3.126 0.636 568 H LEU 64 H LEU 64 10.984 3.472 -0.477 569 HA LEU 64 HA LEU 64 10.837 0.654 -0.502 570 1HB LEU 64 1HB LEU 64 12.190 2.445 -2.516 571 2HB LEU 64 2HB LEU 64 11.558 0.831 -2.772 572 HG LEU 64 HG LEU 64 9.474 2.610 -1.804 573 1HD1 LEU 64 1HD1 LEU 64 10.213 3.443 -4.542 574 2HD1 LEU 64 2HD1 LEU 64 9.512 4.376 -3.197 575 3HD1 LEU 64 3HD1 LEU 64 11.262 4.055 -3.240 576 1HD2 LEU 64 1HD2 LEU 64 9.845 0.433 -3.638 577 2HD2 LEU 64 2HD2 LEU 64 8.342 1.077 -2.937 578 3HD2 LEU 64 3HD2 LEU 64 8.978 1.756 -4.454 579 H GLU 65 H GLU 65 13.428 3.037 0.056 580 HA GLU 65 HA GLU 65 15.476 1.095 -0.192 581 1HB GLU 65 1HB GLU 65 15.426 3.927 0.927 582 2HB GLU 65 2HB GLU 65 16.887 2.962 0.852 583 1HG GLU 65 1HG GLU 65 15.404 2.977 -1.707 584 2HG GLU 65 2HG GLU 65 15.885 4.584 -1.199 585 H LYS 66 H LYS 66 13.790 2.763 2.545 586 HA LYS 66 HA LYS 66 15.257 1.247 4.486 587 1HB LYS 66 1HB LYS 66 14.286 3.662 4.652 588 2HB LYS 66 2HB LYS 66 12.778 2.863 5.049 589 1HG LYS 66 1HG LYS 66 14.102 1.536 6.829 590 2HG LYS 66 2HG LYS 66 15.430 2.641 6.536 591 1HD LYS 66 1HD LYS 66 12.624 3.418 7.460 592 2HD LYS 66 2HD LYS 66 14.068 3.411 8.453 593 1HE LYS 66 1HE LYS 66 15.095 5.127 6.901 594 2HE LYS 66 2HE LYS 66 13.591 5.177 6.004 595 1HZ LYS 66 1HZ LYS 66 12.489 5.823 8.067 596 2HZ LYS 66 2HZ LYS 66 13.926 5.856 8.843 597 3HZ LYS 66 3HZ LYS 66 13.633 6.901 7.623 598 H GLU 67 H GLU 67 11.706 1.506 3.734 599 HA GLU 67 HA GLU 67 11.035 -0.757 5.131 600 1HB GLU 67 1HB GLU 67 9.642 1.185 3.853 601 2HB GLU 67 2HB GLU 67 9.461 -0.090 2.665 602 1HG GLU 67 1HG GLU 67 7.601 -0.414 4.097 603 2HG GLU 67 2HG GLU 67 8.751 -1.615 4.652 604 H GLY 68 H GLY 68 11.779 -0.343 1.605 605 1HA GLY 68 1HA GLY 68 13.223 -2.198 0.762 606 2HA GLY 68 2HA GLY 68 12.014 -3.286 1.414 607 H LEU 69 H LEU 69 13.069 -2.057 -1.430 608 HA LEU 69 HA LEU 69 10.879 -0.987 -2.711 609 1HB LEU 69 1HB LEU 69 13.045 -0.909 -3.680 610 2HB LEU 69 2HB LEU 69 13.188 -2.655 -3.692 611 HG LEU 69 HG LEU 69 11.339 -2.761 -5.367 612 1HD1 LEU 69 1HD1 LEU 69 10.019 -0.921 -5.313 613 2HD1 LEU 69 2HD1 LEU 69 11.361 0.174 -4.904 614 3HD1 LEU 69 3HD1 LEU 69 11.143 -0.379 -6.582 615 1HD2 LEU 69 1HD2 LEU 69 13.164 -2.998 -6.629 616 2HD2 LEU 69 2HD2 LEU 69 12.917 -1.297 -7.092 617 3HD2 LEU 69 3HD2 LEU 69 14.038 -1.706 -5.771 618 H GLU 70 H GLU 70 11.944 -4.467 -2.735 619 HA GLU 70 HA GLU 70 9.550 -5.285 -3.935 620 1HB GLU 70 1HB GLU 70 12.009 -6.540 -2.869 621 2HB GLU 70 2HB GLU 70 10.590 -7.555 -2.707 622 1HG GLU 70 1HG GLU 70 10.086 -7.228 -5.143 623 2HG GLU 70 2HG GLU 70 11.520 -6.232 -5.300 624 H ASN 71 H ASN 71 10.263 -4.230 -0.768 625 HA ASN 71 HA ASN 71 8.287 -5.952 0.436 626 1HB ASN 71 1HB ASN 71 10.079 -3.752 1.592 627 2HB ASN 71 2HB ASN 71 8.959 -4.696 2.554 628 1HD2 ASN 71 1HD2 ASN 71 11.701 -4.934 0.330 629 2HD2 ASN 71 2HD2 ASN 71 12.407 -6.373 0.989 630 H VAL 72 H VAL 72 7.839 -3.669 -1.648 631 HA VAL 72 HA VAL 72 5.647 -2.434 -0.205 632 HB VAL 72 HB VAL 72 7.918 -0.913 -1.483 633 1HG1 VAL 72 1HG1 VAL 72 6.203 0.340 -2.346 634 2HG1 VAL 72 2HG1 VAL 72 5.062 -0.130 -1.063 635 3HG1 VAL 72 3HG1 VAL 72 6.323 1.082 -0.733 636 1HG2 VAL 72 1HG2 VAL 72 6.922 -1.341 1.280 637 2HG2 VAL 72 2HG2 VAL 72 8.566 -1.002 0.688 638 3HG2 VAL 72 3HG2 VAL 72 7.394 0.326 0.869 639 H LEU 73 H LEU 73 7.521 -2.469 -3.321 640 HA LEU 73 HA LEU 73 4.939 -2.881 -4.661 641 1HB LEU 73 1HB LEU 73 6.049 -0.587 -4.908 642 2HB LEU 73 2HB LEU 73 7.270 -1.402 -5.864 643 HG LEU 73 HG LEU 73 4.827 -2.238 -6.967 644 1HD1 LEU 73 1HD1 LEU 73 3.366 -0.512 -7.107 645 2HD1 LEU 73 2HD1 LEU 73 4.084 -0.102 -5.531 646 3HD1 LEU 73 3HD1 LEU 73 4.639 0.728 -7.004 647 1HD2 LEU 73 1HD2 LEU 73 7.159 -0.601 -7.742 648 2HD2 LEU 73 2HD2 LEU 73 6.374 -1.964 -8.575 649 3HD2 LEU 73 3HD2 LEU 73 5.682 -0.328 -8.698 650 HA PRO 74 HA PRO 74 7.371 -6.471 -5.608 651 1HB PRO 74 1HB PRO 74 5.276 -8.216 -5.795 652 2HB PRO 74 2HB PRO 74 6.140 -7.912 -4.301 653 1HG PRO 74 1HG PRO 74 3.461 -6.967 -5.118 654 2HG PRO 74 2HG PRO 74 4.157 -7.040 -3.511 655 1HD PRO 74 1HD PRO 74 3.842 -4.700 -5.140 656 2HD PRO 74 2HD PRO 74 4.641 -4.794 -3.583 657 H GLY 75 H GLY 75 8.259 -6.758 -7.546 658 1HA GLY 75 1HA GLY 75 7.766 -7.629 -9.763 659 2HA GLY 75 2HA GLY 75 6.360 -6.584 -9.810 660 H VAL 76 H VAL 76 7.772 -4.306 -8.434 661 HA VAL 76 HA VAL 76 8.461 -2.763 -10.499 662 HB VAL 76 HB VAL 76 8.279 -2.212 -8.041 663 1HG1 VAL 76 1HG1 VAL 76 10.620 -3.820 -7.907 664 2HG1 VAL 76 2HG1 VAL 76 11.094 -2.156 -7.487 665 3HG1 VAL 76 3HG1 VAL 76 9.789 -2.964 -6.586 666 1HG2 VAL 76 1HG2 VAL 76 10.017 -0.329 -8.226 667 2HG2 VAL 76 2HG2 VAL 76 10.413 -1.018 -9.819 668 3HG2 VAL 76 3HG2 VAL 76 8.768 -0.421 -9.492 669 H LYS 77 H LYS 77 10.424 -2.118 -11.587 670 HA LYS 77 HA LYS 77 12.171 -4.380 -11.998 671 1HB LYS 77 1HB LYS 77 11.676 -1.765 -13.404 672 2HB LYS 77 2HB LYS 77 13.127 -2.687 -13.745 673 1HG LYS 77 1HG LYS 77 11.274 -4.696 -13.879 674 2HG LYS 77 2HG LYS 77 10.269 -3.343 -14.360 675 1HD LYS 77 1HD LYS 77 12.816 -3.127 -15.727 676 2HD LYS 77 2HD LYS 77 12.208 -4.757 -15.941 677 1HE LYS 77 1HE LYS 77 10.073 -2.751 -16.256 678 2HE LYS 77 2HE LYS 77 11.395 -2.468 -17.371 679 1HZ LYS 77 1HZ LYS 77 9.453 -4.436 -17.502 680 2HZ LYS 77 2HZ LYS 77 10.671 -4.157 -18.553 681 3HZ LYS 77 3HZ LYS 77 10.887 -5.193 -17.309 682 H SER 78 H SER 78 12.227 -1.083 -10.596 683 HA SER 78 HA SER 78 14.442 -1.794 -9.021 684 1HB SER 78 1HB SER 78 14.998 0.433 -11.018 685 2HB SER 78 2HB SER 78 16.123 -0.296 -9.889 686 HG SER 78 HG SER 78 15.649 -1.027 -12.430 687 H ILE 79 H ILE 79 15.215 0.310 -7.748 688 HA ILE 79 HA ILE 79 12.998 1.400 -6.522 689 HB ILE 79 HB ILE 79 15.880 2.273 -6.640 690 1HG1 ILE 79 1HG1 ILE 79 15.003 0.025 -5.584 691 2HG1 ILE 79 2HG1 ILE 79 16.239 0.980 -4.791 692 1HG2 ILE 79 1HG2 ILE 79 13.656 3.350 -4.886 693 2HG2 ILE 79 2HG2 ILE 79 15.393 3.656 -4.648 694 3HG2 ILE 79 3HG2 ILE 79 14.579 4.242 -6.118 695 1HD1 ILE 79 1HD1 ILE 79 14.473 2.092 -3.399 696 2HD1 ILE 79 2HD1 ILE 79 13.250 1.057 -4.173 697 3HD1 ILE 79 3HD1 ILE 79 14.519 0.329 -3.160 698 H GLU 80 H GLU 80 14.949 2.564 -9.300 699 HA GLU 80 HA GLU 80 13.841 5.101 -9.387 700 1HB GLU 80 1HB GLU 80 15.577 3.437 -11.027 701 2HB GLU 80 2HB GLU 80 14.455 4.309 -12.052 702 1HG GLU 80 1HG GLU 80 15.523 6.029 -9.915 703 2HG GLU 80 2HG GLU 80 16.808 5.336 -10.885 704 H GLU 81 H GLU 81 12.932 2.026 -11.080 705 HA GLU 81 HA GLU 81 10.841 3.153 -12.511 706 1HB GLU 81 1HB GLU 81 11.698 0.377 -11.753 707 2HB GLU 81 2HB GLU 81 10.059 0.568 -12.341 708 1HG GLU 81 1HG GLU 81 12.181 1.982 -13.915 709 2HG GLU 81 2HG GLU 81 12.224 0.232 -13.980 710 H GLY 82 H GLY 82 11.059 1.736 -9.224 711 1HA GLY 82 1HA GLY 82 8.393 1.392 -8.614 712 2HA GLY 82 2HA GLY 82 9.650 1.829 -7.474 713 H ILE 83 H ILE 83 10.433 4.382 -8.249 714 HA ILE 83 HA ILE 83 8.414 5.952 -7.157 715 HB ILE 83 HB ILE 83 11.013 6.445 -8.536 716 1HG1 ILE 83 1HG1 ILE 83 10.592 7.800 -6.027 717 2HG1 ILE 83 2HG1 ILE 83 10.109 6.123 -5.868 718 1HG2 ILE 83 1HG2 ILE 83 10.481 8.953 -7.847 719 2HG2 ILE 83 2HG2 ILE 83 10.080 8.310 -9.457 720 3HG2 ILE 83 3HG2 ILE 83 8.817 8.438 -8.210 721 1HD1 ILE 83 1HD1 ILE 83 12.691 6.969 -5.632 722 2HD1 ILE 83 2HD1 ILE 83 12.248 5.329 -6.164 723 3HD1 ILE 83 3HD1 ILE 83 12.653 6.577 -7.368 724 H GLN 84 H GLN 84 9.360 5.285 -10.568 725 HA GLN 84 HA GLN 84 7.759 7.167 -11.747 726 1HB GLN 84 1HB GLN 84 8.936 4.533 -12.584 727 2HB GLN 84 2HB GLN 84 7.701 5.220 -13.621 728 1HG GLN 84 1HG GLN 84 8.994 7.101 -14.165 729 2HG GLN 84 2HG GLN 84 9.903 7.047 -12.668 730 1HE2 GLN 84 1HE2 GLN 84 11.769 5.959 -12.540 731 2HE2 GLN 84 2HE2 GLN 84 12.508 5.072 -13.831 732 H VAL 85 H VAL 85 6.983 3.907 -10.472 733 HA VAL 85 HA VAL 85 4.434 3.702 -11.614 734 HB VAL 85 HB VAL 85 5.974 2.421 -9.419 735 1HG1 VAL 85 1HG1 VAL 85 4.088 2.409 -8.121 736 2HG1 VAL 85 2HG1 VAL 85 2.989 2.545 -9.514 737 3HG1 VAL 85 3HG1 VAL 85 3.747 0.982 -9.128 738 1HG2 VAL 85 1HG2 VAL 85 4.395 0.705 -11.155 739 2HG2 VAL 85 2HG2 VAL 85 5.372 1.858 -12.095 740 3HG2 VAL 85 3HG2 VAL 85 6.158 0.776 -10.921 741 H TYR 86 H TYR 86 5.662 5.176 -8.569 742 HA TYR 86 HA TYR 86 3.045 5.776 -7.608 743 1HB TYR 86 1HB TYR 86 5.824 6.959 -6.997 744 2HB TYR 86 2HB TYR 86 4.437 7.038 -5.928 745 HD1 TYR 86 HD1 TYR 86 3.534 4.100 -6.442 746 HD2 TYR 86 HD2 TYR 86 7.300 5.868 -5.443 747 HE1 TYR 86 HE1 TYR 86 4.267 1.931 -5.337 748 HE2 TYR 86 HE2 TYR 86 8.020 3.694 -4.342 749 HH TYR 86 HH TYR 86 7.157 1.059 -4.825 750 H ARG 87 H ARG 87 5.339 7.283 -9.819 751 HA ARG 87 HA ARG 87 4.337 9.890 -9.461 752 1HB ARG 87 1HB ARG 87 6.593 9.569 -10.344 753 2HB ARG 87 2HB ARG 87 6.001 8.580 -11.663 754 1HG ARG 87 1HG ARG 87 6.360 10.709 -12.660 755 2HG ARG 87 2HG ARG 87 4.627 10.648 -12.407 756 1HD ARG 87 1HD ARG 87 4.787 12.572 -11.212 757 2HD ARG 87 2HD ARG 87 5.668 11.690 -9.982 758 HE ARG 87 HE ARG 87 7.706 12.557 -10.813 759 1HH1 ARG 87 2HH2 ARG 87 5.054 13.350 -12.986 760 2HH1 ARG 87 1HH2 ARG 87 5.980 14.486 -13.909 761 1HH2 ARG 87 2HH1 ARG 87 8.929 14.056 -12.030 762 2HH2 ARG 87 1HH1 ARG 87 8.199 14.890 -13.361 763 H ARG 88 H ARG 88 3.781 7.183 -11.787 764 HA ARG 88 HA ARG 88 2.169 8.614 -13.518 765 1HB ARG 88 1HB ARG 88 2.215 5.629 -12.847 766 2HB ARG 88 2HB ARG 88 1.343 6.302 -14.210 767 1HG ARG 88 1HG ARG 88 3.367 7.042 -15.284 768 2HG ARG 88 2HG ARG 88 4.315 6.833 -13.825 769 1HD ARG 88 1HD ARG 88 4.906 4.875 -14.933 770 2HD ARG 88 2HD ARG 88 3.510 4.283 -14.055 771 HE ARG 88 HE ARG 88 2.344 4.084 -16.077 772 1HH1 ARG 88 2HH2 ARG 88 5.155 6.145 -16.560 773 2HH1 ARG 88 1HH2 ARG 88 4.963 6.220 -18.280 774 1HH2 ARG 88 2HH1 ARG 88 2.091 4.183 -18.346 775 2HH2 ARG 88 1HH1 ARG 88 3.208 5.097 -19.302 776 H PHE 89 H PHE 89 1.463 6.652 -10.570 777 HA PHE 89 HA PHE 89 -1.367 7.049 -10.852 778 1HB PHE 89 1HB PHE 89 0.614 5.773 -8.918 779 2HB PHE 89 2HB PHE 89 -1.026 6.040 -8.360 780 HD1 PHE 89 HD1 PHE 89 0.714 4.611 -11.346 781 HD2 PHE 89 HD2 PHE 89 -2.507 4.296 -8.600 782 HE1 PHE 89 HE1 PHE 89 -0.006 2.467 -12.435 783 HE2 PHE 89 HE2 PHE 89 -3.226 2.153 -9.690 784 HZ PHE 89 HZ PHE 89 -1.967 1.264 -11.595 785 H TYR 90 H TYR 90 1.188 8.035 -8.455 786 HA TYR 90 HA TYR 90 -0.651 10.123 -7.533 787 1HB TYR 90 1HB TYR 90 2.048 9.451 -6.311 788 2HB TYR 90 2HB TYR 90 0.564 9.882 -5.484 789 HD1 TYR 90 HD1 TYR 90 2.654 7.479 -5.150 790 HD2 TYR 90 HD2 TYR 90 -1.284 7.844 -6.783 791 HE1 TYR 90 HE1 TYR 90 2.212 5.025 -4.653 792 HE2 TYR 90 HE2 TYR 90 -1.712 5.389 -6.282 793 HH TYR 90 HH TYR 90 -0.242 3.324 -6.024 794 H ASP 91 H ASP 91 -0.043 12.315 -7.487 795 HA ASP 91 HA ASP 91 1.758 13.047 -9.504 796 1HB ASP 91 1HB ASP 91 0.848 14.957 -7.340 797 2HB ASP 91 2HB ASP 91 1.072 15.270 -9.050 798 H GLU 92 H GLU 92 3.816 14.224 -9.233 799 HA GLU 92 HA GLU 92 5.287 13.294 -7.009 800 1HB GLU 92 1HB GLU 92 6.095 13.686 -9.443 801 2HB GLU 92 2HB GLU 92 6.206 15.383 -9.018 802 1HG GLU 92 1HG GLU 92 7.467 13.528 -7.052 803 2HG GLU 92 2HG GLU 92 8.224 13.538 -8.632 804 H GLU 93 H GLU 93 3.562 16.260 -7.870 805 HA GLU 93 HA GLU 93 4.920 17.915 -6.053 806 1HB GLU 93 1HB GLU 93 2.909 18.191 -8.049 807 2HB GLU 93 2HB GLU 93 2.189 18.783 -6.565 808 1HG GLU 93 1HG GLU 93 3.260 20.730 -7.194 809 2HG GLU 93 2HG GLU 93 4.592 19.997 -6.323 810 H LYS 94 H LYS 94 1.706 16.221 -5.962 811 HA LYS 94 HA LYS 94 1.029 17.036 -3.392 812 1HB LYS 94 1HB LYS 94 -0.001 15.307 -5.435 813 2HB LYS 94 2HB LYS 94 -0.065 14.455 -3.906 814 1HG LYS 94 1HG LYS 94 -0.892 17.126 -3.337 815 2HG LYS 94 2HG LYS 94 -1.701 16.687 -4.828 816 1HD LYS 94 1HD LYS 94 -1.937 14.382 -3.209 817 2HD LYS 94 2HD LYS 94 -2.181 15.714 -2.096 818 1HE LYS 94 1HE LYS 94 -3.663 16.464 -4.376 819 2HE LYS 94 2HE LYS 94 -3.940 14.739 -4.247 820 1HZ LYS 94 1HZ LYS 94 -5.158 15.047 -2.447 821 2HZ LYS 94 2HZ LYS 94 -4.072 16.035 -1.731 822 3HZ LYS 94 3HZ LYS 94 -5.161 16.645 -2.785 823 H GLU 95 H GLU 95 2.994 14.284 -4.603 824 HA GLU 95 HA GLU 95 3.168 12.968 -2.173 825 1HB GLU 95 1HB GLU 95 3.903 12.327 -4.658 826 2HB GLU 95 2HB GLU 95 5.462 12.932 -4.134 827 1HG GLU 95 1HG GLU 95 4.033 11.031 -2.286 828 2HG GLU 95 2HG GLU 95 4.709 10.361 -3.758 829 H LYS 96 H LYS 96 5.434 15.328 -3.758 830 HA LYS 96 HA LYS 96 7.214 15.388 -1.581 831 1HB LYS 96 1HB LYS 96 8.388 16.952 -2.809 832 2HB LYS 96 2HB LYS 96 7.537 16.075 -4.065 833 1HG LYS 96 1HG LYS 96 6.665 18.050 -4.759 834 2HG LYS 96 2HG LYS 96 5.719 18.092 -3.284 835 1HD LYS 96 1HD LYS 96 6.873 19.941 -2.662 836 2HD LYS 96 2HD LYS 96 8.301 18.940 -2.491 837 1HE LYS 96 1HE LYS 96 8.848 19.301 -4.907 838 2HE LYS 96 2HE LYS 96 7.416 20.295 -5.085 839 1HZ LYS 96 1HZ LYS 96 8.448 21.996 -4.149 840 2HZ LYS 96 2HZ LYS 96 9.048 21.115 -2.911 841 3HZ LYS 96 3HZ LYS 96 9.845 21.171 -4.335 842 H LYS 97 H LYS 97 4.027 16.623 -2.018 843 HA LYS 97 HA LYS 97 4.314 18.941 -0.399 844 1HB LYS 97 1HB LYS 97 2.395 17.910 -2.127 845 2HB LYS 97 2HB LYS 97 1.631 17.783 -0.555 846 1HG LYS 97 1HG LYS 97 2.493 20.248 -0.193 847 2HG LYS 97 2HG LYS 97 2.696 20.270 -1.933 848 1HD LYS 97 1HD LYS 97 0.067 19.335 -0.747 849 2HD LYS 97 2HD LYS 97 0.401 21.052 -0.860 850 1HE LYS 97 1HE LYS 97 1.033 19.583 -3.357 851 2HE LYS 97 2HE LYS 97 -0.655 19.467 -2.902 852 1HZ LYS 97 1HZ LYS 97 -0.882 21.752 -2.970 853 2HZ LYS 97 2HZ LYS 97 0.723 22.045 -2.894 854 3HZ LYS 97 3HZ LYS 97 0.067 21.445 -4.263 855 H TYR 98 H TYR 98 2.777 15.694 0.174 856 HA TYR 98 HA TYR 98 3.037 16.216 3.042 857 1HB TYR 98 1HB TYR 98 1.422 14.462 1.142 858 2HB TYR 98 2HB TYR 98 1.625 13.893 2.787 859 HD1 TYR 98 HD1 TYR 98 0.313 16.719 0.750 860 HD2 TYR 98 HD2 TYR 98 0.320 14.781 4.565 861 HE1 TYR 98 HE1 TYR 98 -1.633 18.173 1.501 862 HE2 TYR 98 HE2 TYR 98 -1.626 16.242 5.303 863 HH TYR 98 HH TYR 98 -3.601 17.545 3.715 864 H GLY 99 H GLY 99 3.570 13.559 0.615 865 1HA GLY 99 1HA GLY 99 5.878 12.648 0.678 866 2HA GLY 99 2HA GLY 99 5.677 12.520 2.415 867 H VAL 100 H VAL 100 6.114 10.180 2.128 868 HA VAL 100 HA VAL 100 3.755 8.770 1.085 869 HB VAL 100 HB VAL 100 6.418 7.464 1.462 870 1HG1 VAL 100 1HG1 VAL 100 4.195 7.111 -0.579 871 2HG1 VAL 100 2HG1 VAL 100 5.659 6.108 -0.437 872 3HG1 VAL 100 3HG1 VAL 100 4.452 6.111 0.871 873 1HG2 VAL 100 1HG2 VAL 100 7.307 9.162 0.203 874 2HG2 VAL 100 2HG2 VAL 100 6.689 8.120 -1.101 875 3HG2 VAL 100 3HG2 VAL 100 5.756 9.545 -0.583 876 H VAL 101 H VAL 101 3.035 6.878 2.307 877 HA VAL 101 HA VAL 101 4.053 6.780 5.044 878 HB VAL 101 HB VAL 101 1.719 6.712 5.873 879 1HG1 VAL 101 1HG1 VAL 101 2.779 9.191 4.510 880 2HG1 VAL 101 2HG1 VAL 101 1.280 9.220 5.469 881 3HG1 VAL 101 3HG1 VAL 101 2.818 8.756 6.235 882 1HG2 VAL 101 1HG2 VAL 101 0.489 8.111 3.653 883 2HG2 VAL 101 2HG2 VAL 101 1.067 6.506 3.145 884 3HG2 VAL 101 3HG2 VAL 101 -0.055 6.654 4.519 885 H ALA 102 H ALA 102 4.716 4.723 5.350 886 HA ALA 102 HA ALA 102 3.552 2.639 3.707 887 1HB ALA 102 1HB ALA 102 6.069 3.172 5.055 888 2HB ALA 102 2HB ALA 102 5.442 1.572 5.519 889 3HB ALA 102 3HB ALA 102 5.695 1.965 3.802 890 H ILE 103 H ILE 103 1.502 2.129 4.443 891 HA ILE 103 HA ILE 103 1.185 1.732 7.315 892 HB ILE 103 HB ILE 103 -1.097 1.955 6.996 893 1HG1 ILE 103 1HG1 ILE 103 -1.338 0.300 5.192 894 2HG1 ILE 103 2HG1 ILE 103 -2.281 1.748 4.897 895 1HG2 ILE 103 1HG2 ILE 103 0.453 3.777 5.171 896 2HG2 ILE 103 2HG2 ILE 103 -1.310 3.943 5.353 897 3HG2 ILE 103 3HG2 ILE 103 -0.250 4.106 6.773 898 1HD1 ILE 103 1HD1 ILE 103 -1.247 1.329 2.808 899 2HD1 ILE 103 2HD1 ILE 103 -0.210 2.582 3.532 900 3HD1 ILE 103 3HD1 ILE 103 0.301 0.877 3.563 901 H GLU 104 H GLU 104 1.135 -0.261 8.232 902 HA GLU 104 HA GLU 104 1.526 -2.476 6.459 903 1HB GLU 104 1HB GLU 104 2.668 -1.924 8.805 904 2HB GLU 104 2HB GLU 104 1.275 -2.766 9.453 905 1HG GLU 104 1HG GLU 104 2.658 -4.111 7.161 906 2HG GLU 104 2HG GLU 104 3.569 -4.027 8.655 907 H ILE 105 H ILE 105 -0.246 -3.417 5.534 908 HA ILE 105 HA ILE 105 -2.702 -3.489 7.125 909 HB ILE 105 HB ILE 105 -3.900 -3.591 5.141 910 1HG1 ILE 105 1HG1 ILE 105 -2.569 -5.404 4.094 911 2HG1 ILE 105 2HG1 ILE 105 -3.045 -4.148 2.970 912 1HG2 ILE 105 1HG2 ILE 105 -1.518 -1.762 4.841 913 2HG2 ILE 105 2HG2 ILE 105 -2.874 -1.761 3.688 914 3HG2 ILE 105 3HG2 ILE 105 -3.163 -1.375 5.401 915 1HD1 ILE 105 1HD1 ILE 105 -0.697 -3.079 3.586 916 2HD1 ILE 105 2HD1 ILE 105 -0.310 -4.733 4.115 917 3HD1 ILE 105 3HD1 ILE 105 -0.782 -4.426 2.426 918 H GLU 106 H GLU 106 -4.044 -5.535 6.883 919 HA GLU 106 HA GLU 106 -2.393 -7.856 6.399 920 1HB GLU 106 1HB GLU 106 -2.678 -6.955 8.988 921 2HB GLU 106 2HB GLU 106 -4.036 -8.057 8.873 922 1HG GLU 106 1HG GLU 106 -2.312 -9.498 9.560 923 2HG GLU 106 2HG GLU 106 -2.301 -9.736 7.824 924 HA PRO 107 HA PRO 107 -6.408 -8.568 4.652 925 1HB PRO 107 1HB PRO 107 -5.588 -10.261 2.669 926 2HB PRO 107 2HB PRO 107 -5.658 -8.520 2.475 927 1HG PRO 107 1HG PRO 107 -3.290 -10.249 2.855 928 2HG PRO 107 2HG PRO 107 -3.365 -8.608 2.245 929 1HD PRO 107 1HD PRO 107 -2.532 -9.428 4.864 930 2HD PRO 107 2HD PRO 107 -2.717 -7.783 4.291 931 H LEU 108 H LEU 108 -7.538 -9.591 6.229 932 HA LEU 108 HA LEU 108 -6.683 -12.307 6.802 933 1HB LEU 108 1HB LEU 108 -8.592 -12.080 8.506 934 2HB LEU 108 2HB LEU 108 -7.091 -11.214 8.769 935 HG LEU 108 HG LEU 108 -9.164 -9.690 7.307 936 1HD1 LEU 108 1HD1 LEU 108 -9.849 -11.089 9.751 937 2HD1 LEU 108 2HD1 LEU 108 -9.933 -9.324 9.969 938 3HD1 LEU 108 3HD1 LEU 108 -10.867 -10.106 8.671 939 1HD2 LEU 108 1HD2 LEU 108 -8.033 -7.936 8.100 940 2HD2 LEU 108 2HD2 LEU 108 -8.013 -8.578 9.760 941 3HD2 LEU 108 3HD2 LEU 108 -6.793 -9.118 8.582 942 H GLU 109 H GLU 109 -7.283 -12.606 4.328 943 HA GLU 109 HA GLU 109 -10.118 -13.286 4.248 944 1HB GLU 109 1HB GLU 109 -9.228 -11.555 2.585 945 2HB GLU 109 2HB GLU 109 -8.284 -12.839 1.857 946 1HG GLU 109 1HG GLU 109 -10.164 -13.080 0.547 947 2HG GLU 109 2HG GLU 109 -10.691 -14.087 1.881 948 H TYR 110 H TYR 110 -6.784 -14.410 3.983 949 HA TYR 110 HA TYR 110 -7.493 -17.084 4.325 950 1HB TYR 110 1HB TYR 110 -7.463 -15.943 1.583 951 2HB TYR 110 2HB TYR 110 -6.281 -17.229 1.730 952 HD1 TYR 110 HD1 TYR 110 -7.247 -19.421 2.994 953 HD2 TYR 110 HD2 TYR 110 -9.592 -16.533 0.882 954 HE1 TYR 110 HE1 TYR 110 -9.089 -21.144 2.669 955 HE2 TYR 110 HE2 TYR 110 -11.427 -18.265 0.565 956 HH TYR 110 HH TYR 110 -10.912 -21.557 1.131 Start of MODEL 18 1 HA MET 1 HA MET 1 -15.529 3.139 10.499 2 1HB MET 1 1HB MET 1 -16.813 1.719 12.534 3 2HB MET 1 2HB MET 1 -15.726 0.502 11.897 4 1HG MET 1 1HG MET 1 -14.556 1.701 13.669 5 2HG MET 1 2HG MET 1 -13.808 2.132 12.144 6 1HE MET 1 1HE MET 1 -15.402 2.990 15.198 7 2HE MET 1 2HE MET 1 -15.701 4.745 15.194 8 3HE MET 1 3HE MET 1 -16.918 3.633 14.521 9 H GLU 2 H GLU 2 -16.838 1.830 8.135 10 HA GLU 2 HA GLU 2 -14.812 -0.223 7.690 11 1HB GLU 2 1HB GLU 2 -17.516 -0.633 7.633 12 2HB GLU 2 2HB GLU 2 -17.245 -0.198 5.957 13 1HG GLU 2 1HG GLU 2 -15.466 -1.945 5.786 14 2HG GLU 2 2HG GLU 2 -15.718 -2.373 7.466 15 H TRP 3 H TRP 3 -14.033 -0.392 5.386 16 HA TRP 3 HA TRP 3 -14.428 2.060 3.853 17 1HB TRP 3 1HB TRP 3 -11.646 1.025 4.326 18 2HB TRP 3 2HB TRP 3 -12.152 2.557 3.640 19 HD1 TRP 3 HD1 TRP 3 -11.305 0.962 6.964 20 HE1 TRP 3 HE1 TRP 3 -11.475 2.671 8.967 21 HE3 TRP 3 HE3 TRP 3 -13.626 4.635 4.323 22 HZ2 TRP 3 HZ2 TRP 3 -12.537 5.308 9.217 23 HZ3 TRP 3 HZ3 TRP 3 -14.195 6.745 5.522 24 HH2 TRP 3 HH2 TRP 3 -13.687 7.113 7.884 25 H GLU 4 H GLU 4 -14.349 1.667 1.612 26 HA GLU 4 HA GLU 4 -13.662 -1.071 0.886 27 1HB GLU 4 1HB GLU 4 -15.548 -1.046 -0.746 28 2HB GLU 4 2HB GLU 4 -16.101 -0.909 0.911 29 1HG GLU 4 1HG GLU 4 -15.529 1.696 -0.425 30 2HG GLU 4 2HG GLU 4 -16.851 0.789 -1.132 31 H MET 5 H MET 5 -12.495 -1.319 -1.051 32 HA MET 5 HA MET 5 -12.230 0.982 -2.752 33 1HB MET 5 1HB MET 5 -9.763 -0.354 -1.514 34 2HB MET 5 2HB MET 5 -9.770 1.056 -2.556 35 1HG MET 5 1HG MET 5 -11.219 2.214 -0.747 36 2HG MET 5 2HG MET 5 -10.831 0.862 0.297 37 1HE MET 5 1HE MET 5 -10.016 2.011 1.933 38 2HE MET 5 2HE MET 5 -8.272 2.304 2.129 39 3HE MET 5 3HE MET 5 -9.354 3.642 1.672 40 H GLY 6 H GLY 6 -12.636 0.119 -4.740 41 1HA GLY 6 1HA GLY 6 -12.160 -2.672 -5.263 42 2HA GLY 6 2HA GLY 6 -12.845 -1.477 -6.346 43 H LEU 7 H LEU 7 -10.854 -3.471 -7.071 44 HA LEU 7 HA LEU 7 -9.051 -1.801 -8.430 45 1HB LEU 7 1HB LEU 7 -6.962 -2.714 -7.362 46 2HB LEU 7 2HB LEU 7 -7.831 -1.475 -6.479 47 HG LEU 7 HG LEU 7 -8.224 -4.405 -5.872 48 1HD1 LEU 7 1HD1 LEU 7 -5.797 -2.939 -5.538 49 2HD1 LEU 7 2HD1 LEU 7 -6.508 -3.232 -3.933 50 3HD1 LEU 7 3HD1 LEU 7 -6.186 -4.599 -5.027 51 1HD2 LEU 7 1HD2 LEU 7 -9.001 -1.817 -4.626 52 2HD2 LEU 7 2HD2 LEU 7 -9.878 -3.363 -4.719 53 3HD2 LEU 7 3HD2 LEU 7 -8.564 -3.154 -3.536 54 H GLN 8 H GLN 8 -7.139 -3.440 -9.315 55 HA GLN 8 HA GLN 8 -8.650 -5.367 -10.715 56 1HB GLN 8 1HB GLN 8 -6.130 -4.039 -11.000 57 2HB GLN 8 2HB GLN 8 -5.796 -5.759 -11.024 58 1HG GLN 8 1HG GLN 8 -8.162 -4.875 -12.634 59 2HG GLN 8 2HG GLN 8 -6.601 -4.340 -13.223 60 1HE2 GLN 8 1HE2 GLN 8 -8.751 -6.484 -13.889 61 2HE2 GLN 8 2HE2 GLN 8 -7.831 -7.903 -14.263 62 H GLU 9 H GLU 9 -8.060 -7.726 -10.854 63 HA GLU 9 HA GLU 9 -8.092 -8.843 -8.320 64 1HB GLU 9 1HB GLU 9 -8.979 -9.825 -10.515 65 2HB GLU 9 2HB GLU 9 -7.329 -10.270 -10.900 66 1HG GLU 9 1HG GLU 9 -7.882 -11.128 -8.193 67 2HG GLU 9 2HG GLU 9 -9.200 -11.666 -9.215 68 H GLU 10 H GLU 10 -5.456 -8.279 -10.691 69 HA GLU 10 HA GLU 10 -3.548 -9.852 -9.478 70 1HB GLU 10 1HB GLU 10 -3.668 -8.229 -11.707 71 2HB GLU 10 2HB GLU 10 -2.579 -7.313 -10.685 72 1HG GLU 10 1HG GLU 10 -1.275 -9.510 -10.318 73 2HG GLU 10 2HG GLU 10 -2.257 -10.206 -11.592 74 H PHE 11 H PHE 11 -4.454 -6.391 -8.950 75 HA PHE 11 HA PHE 11 -2.423 -5.837 -7.116 76 1HB PHE 11 1HB PHE 11 -4.828 -4.679 -8.287 77 2HB PHE 11 2HB PHE 11 -4.913 -4.424 -6.556 78 HD1 PHE 11 HD1 PHE 11 -2.602 -3.977 -9.443 79 HD2 PHE 11 HD2 PHE 11 -3.799 -2.619 -5.605 80 HE1 PHE 11 HE1 PHE 11 -1.058 -2.010 -9.657 81 HE2 PHE 11 HE2 PHE 11 -2.255 -0.652 -5.819 82 HZ PHE 11 HZ PHE 11 -0.903 -0.371 -7.842 83 H LEU 12 H LEU 12 -5.545 -7.502 -6.818 84 HA LEU 12 HA LEU 12 -5.790 -7.202 -4.022 85 1HB LEU 12 1HB LEU 12 -6.976 -9.099 -6.040 86 2HB LEU 12 2HB LEU 12 -7.344 -9.203 -4.329 87 HG LEU 12 HG LEU 12 -7.835 -6.757 -6.051 88 1HD1 LEU 12 1HD1 LEU 12 -10.079 -7.366 -6.263 89 2HD1 LEU 12 2HD1 LEU 12 -9.193 -8.880 -6.561 90 3HD1 LEU 12 3HD1 LEU 12 -9.969 -8.599 -4.984 91 1HD2 LEU 12 1HD2 LEU 12 -8.208 -5.638 -4.176 92 2HD2 LEU 12 2HD2 LEU 12 -9.418 -6.841 -3.670 93 3HD2 LEU 12 3HD2 LEU 12 -7.707 -7.061 -3.232 94 H GLU 13 H GLU 13 -4.503 -9.854 -6.135 95 HA GLU 13 HA GLU 13 -3.824 -11.520 -4.045 96 1HB GLU 13 1HB GLU 13 -3.903 -11.916 -6.640 97 2HB GLU 13 2HB GLU 13 -2.233 -11.385 -6.622 98 1HG GLU 13 1HG GLU 13 -1.944 -13.682 -6.321 99 2HG GLU 13 2HG GLU 13 -1.976 -13.148 -4.652 100 H LEU 14 H LEU 14 -2.197 -8.687 -5.452 101 HA LEU 14 HA LEU 14 0.363 -9.165 -4.448 102 1HB LEU 14 1HB LEU 14 -1.140 -6.676 -5.229 103 2HB LEU 14 2HB LEU 14 0.505 -6.612 -4.629 104 HG LEU 14 HG LEU 14 -0.542 -7.679 -7.220 105 1HD1 LEU 14 1HD1 LEU 14 2.120 -6.384 -6.913 106 2HD1 LEU 14 2HD1 LEU 14 0.886 -6.200 -8.183 107 3HD1 LEU 14 3HD1 LEU 14 0.679 -5.381 -6.616 108 1HD2 LEU 14 1HD2 LEU 14 0.558 -9.638 -6.424 109 2HD2 LEU 14 2HD2 LEU 14 1.650 -8.849 -7.586 110 3HD2 LEU 14 3HD2 LEU 14 1.951 -8.698 -5.838 111 H ILE 15 H ILE 15 -2.519 -7.499 -3.044 112 HA ILE 15 HA ILE 15 -1.288 -6.589 -0.737 113 HB ILE 15 HB ILE 15 -3.993 -6.989 -1.751 114 1HG1 ILE 15 1HG1 ILE 15 -4.196 -4.818 -0.278 115 2HG1 ILE 15 2HG1 ILE 15 -2.447 -4.910 -0.231 116 1HG2 ILE 15 1HG2 ILE 15 -5.160 -6.973 0.355 117 2HG2 ILE 15 2HG2 ILE 15 -4.116 -8.412 0.280 118 3HG2 ILE 15 3HG2 ILE 15 -3.626 -7.006 1.256 119 1HD1 ILE 15 1HD1 ILE 15 -2.335 -4.923 -2.696 120 2HD1 ILE 15 2HD1 ILE 15 -4.113 -4.936 -2.791 121 3HD1 ILE 15 3HD1 ILE 15 -3.267 -3.514 -2.134 122 H LYS 16 H LYS 16 -2.639 -9.800 -1.595 123 HA LYS 16 HA LYS 16 -2.534 -10.875 0.985 124 1HB LYS 16 1HB LYS 16 -3.389 -11.689 -1.531 125 2HB LYS 16 2HB LYS 16 -2.064 -12.781 -1.186 126 1HG LYS 16 1HG LYS 16 -3.718 -13.945 -0.075 127 2HG LYS 16 2HG LYS 16 -3.266 -12.873 1.235 128 1HD LYS 16 1HD LYS 16 -5.477 -12.301 1.273 129 2HD LYS 16 2HD LYS 16 -5.088 -11.294 -0.107 130 1HE LYS 16 1HE LYS 16 -7.077 -12.847 -0.455 131 2HE LYS 16 2HE LYS 16 -5.827 -12.978 -1.677 132 1HZ LYS 16 1HZ LYS 16 -6.789 -15.045 -0.385 133 2HZ LYS 16 2HZ LYS 16 -5.265 -15.013 -0.971 134 3HZ LYS 16 3HZ LYS 16 -5.538 -14.706 0.609 135 H LEU 17 H LEU 17 -0.068 -10.208 -1.457 136 HA LEU 17 HA LEU 17 1.859 -11.905 -0.128 137 1HB LEU 17 1HB LEU 17 1.840 -10.195 -2.592 138 2HB LEU 17 2HB LEU 17 3.359 -10.734 -1.904 139 HG LEU 17 HG LEU 17 1.421 -12.912 -2.229 140 1HD1 LEU 17 1HD1 LEU 17 1.743 -11.021 -4.415 141 2HD1 LEU 17 2HD1 LEU 17 2.285 -12.657 -4.860 142 3HD1 LEU 17 3HD1 LEU 17 0.633 -12.403 -4.246 143 1HD2 LEU 17 1HD2 LEU 17 3.895 -13.148 -3.712 144 2HD2 LEU 17 2HD2 LEU 17 4.194 -12.574 -2.054 145 3HD2 LEU 17 3HD2 LEU 17 3.301 -14.090 -2.324 146 H ARG 18 H ARG 18 0.658 -8.625 -0.008 147 HA ARG 18 HA ARG 18 3.048 -7.546 1.049 148 1HB ARG 18 1HB ARG 18 0.184 -6.579 0.755 149 2HB ARG 18 2HB ARG 18 1.307 -5.656 1.734 150 1HG ARG 18 1HG ARG 18 2.404 -4.845 -0.093 151 2HG ARG 18 2HG ARG 18 2.511 -6.429 -0.837 152 1HD ARG 18 1HD ARG 18 0.315 -6.236 -1.818 153 2HD ARG 18 2HD ARG 18 -0.108 -4.871 -0.804 154 HE ARG 18 HE ARG 18 1.461 -4.790 -3.268 155 1HH1 ARG 18 2HH2 ARG 18 0.824 -3.137 -0.227 156 2HH1 ARG 18 1HH2 ARG 18 1.343 -1.591 -0.811 157 1HH2 ARG 18 2HH1 ARG 18 2.147 -2.751 -4.039 158 2HH2 ARG 18 1HH1 ARG 18 2.101 -1.370 -2.994 159 H LYS 19 H LYS 19 1.008 -9.826 2.281 160 HA LYS 19 HA LYS 19 0.476 -8.770 4.865 161 1HB LYS 19 1HB LYS 19 -0.889 -10.522 3.758 162 2HB LYS 19 2HB LYS 19 0.457 -11.637 3.879 163 1HG LYS 19 1HG LYS 19 -0.150 -10.330 6.458 164 2HG LYS 19 2HG LYS 19 -1.520 -11.220 5.825 165 1HD LYS 19 1HD LYS 19 1.283 -12.409 6.042 166 2HD LYS 19 2HD LYS 19 0.076 -12.569 7.302 167 1HE LYS 19 1HE LYS 19 -0.387 -13.455 4.415 168 2HE LYS 19 2HE LYS 19 0.197 -14.530 5.670 169 1HZ LYS 19 1HZ LYS 19 -2.202 -14.601 5.398 170 2HZ LYS 19 2HZ LYS 19 -1.793 -14.125 6.906 171 3HZ LYS 19 3HZ LYS 19 -2.325 -13.028 5.819 172 H LYS 20 H LYS 20 3.319 -9.796 3.281 173 HA LYS 20 HA LYS 20 4.598 -10.174 5.895 174 1HB LYS 20 1HB LYS 20 4.547 -11.981 3.580 175 2HB LYS 20 2HB LYS 20 6.169 -11.611 4.129 176 1HG LYS 20 1HG LYS 20 5.623 -12.311 6.417 177 2HG LYS 20 2HG LYS 20 3.930 -12.500 6.005 178 1HD LYS 20 1HD LYS 20 4.575 -14.286 4.335 179 2HD LYS 20 2HD LYS 20 6.242 -14.133 4.853 180 1HE LYS 20 1HE LYS 20 4.835 -14.448 7.270 181 2HE LYS 20 2HE LYS 20 3.996 -15.523 6.169 182 1HZ LYS 20 1HZ LYS 20 5.672 -16.910 6.368 183 2HZ LYS 20 2HZ LYS 20 6.711 -15.822 5.732 184 3HZ LYS 20 3HZ LYS 20 6.481 -15.883 7.348 185 H LYS 21 H LYS 21 4.115 -8.094 3.423 186 HA LYS 21 HA LYS 21 6.919 -7.214 3.451 187 1HB LYS 21 1HB LYS 21 4.843 -6.820 1.274 188 2HB LYS 21 2HB LYS 21 6.471 -6.173 1.260 189 1HG LYS 21 1HG LYS 21 5.651 -9.109 1.214 190 2HG LYS 21 2HG LYS 21 6.486 -8.221 -0.045 191 1HD LYS 21 1HD LYS 21 8.253 -7.802 1.970 192 2HD LYS 21 2HD LYS 21 7.556 -9.302 2.550 193 1HE LYS 21 1HE LYS 21 7.971 -10.234 0.156 194 2HE LYS 21 2HE LYS 21 8.961 -8.813 -0.109 195 1HZ LYS 21 1HZ LYS 21 9.411 -11.025 1.717 196 2HZ LYS 21 2HZ LYS 21 10.462 -10.282 0.711 197 3HZ LYS 21 3HZ LYS 21 10.021 -9.562 2.109 198 H ILE 22 H ILE 22 4.736 -5.021 1.992 199 HA ILE 22 HA ILE 22 3.729 -3.783 4.322 200 HB ILE 22 HB ILE 22 6.449 -3.192 3.650 201 1HG1 ILE 22 1HG1 ILE 22 5.498 -3.536 5.910 202 2HG1 ILE 22 2HG1 ILE 22 6.420 -2.052 5.767 203 1HG2 ILE 22 1HG2 ILE 22 4.706 -0.725 3.638 204 2HG2 ILE 22 2HG2 ILE 22 6.456 -0.854 3.339 205 3HG2 ILE 22 3HG2 ILE 22 5.300 -1.497 2.148 206 1HD1 ILE 22 1HD1 ILE 22 3.398 -2.113 5.398 207 2HD1 ILE 22 2HD1 ILE 22 4.165 -1.870 6.986 208 3HD1 ILE 22 3HD1 ILE 22 4.438 -0.695 5.677 209 H GLU 23 H GLU 23 2.933 -1.428 3.649 210 HA GLU 23 HA GLU 23 2.379 -1.364 0.817 211 1HB GLU 23 1HB GLU 23 0.486 -2.639 1.699 212 2HB GLU 23 2HB GLU 23 0.215 -1.455 2.962 213 1HG GLU 23 1HG GLU 23 0.088 0.190 0.788 214 2HG GLU 23 2HG GLU 23 -0.443 -1.303 0.040 215 H GLY 24 H GLY 24 2.600 0.708 0.064 216 1HA GLY 24 1HA GLY 24 2.239 2.903 2.012 217 2HA GLY 24 2HA GLY 24 3.639 2.816 0.961 218 H ARG 25 H ARG 25 1.977 5.060 0.861 219 HA ARG 25 HA ARG 25 1.477 5.245 -1.811 220 1HB ARG 25 1HB ARG 25 -1.038 5.346 -1.865 221 2HB ARG 25 2HB ARG 25 -0.439 3.737 -1.512 222 1HG ARG 25 1HG ARG 25 -0.686 4.371 0.999 223 2HG ARG 25 2HG ARG 25 -1.607 5.756 0.446 224 1HD ARG 25 1HD ARG 25 -2.268 2.810 0.006 225 2HD ARG 25 2HD ARG 25 -3.187 3.973 0.942 226 HE ARG 25 HE ARG 25 -3.984 4.977 -1.080 227 1HH1 ARG 25 2HH2 ARG 25 -1.747 2.336 -1.713 228 2HH1 ARG 25 1HH2 ARG 25 -2.185 2.195 -3.382 229 1HH2 ARG 25 2HH1 ARG 25 -4.563 4.791 -3.282 230 2HH2 ARG 25 1HH1 ARG 25 -3.798 3.601 -4.281 231 H LEU 26 H LEU 26 1.179 7.457 -2.335 232 HA LEU 26 HA LEU 26 1.836 9.394 -0.634 233 1HB LEU 26 1HB LEU 26 1.678 10.437 -2.565 234 2HB LEU 26 2HB LEU 26 0.603 9.211 -3.208 235 HG LEU 26 HG LEU 26 -1.335 10.393 -2.233 236 1HD1 LEU 26 1HD1 LEU 26 0.470 11.588 -0.555 237 2HD1 LEU 26 2HD1 LEU 26 0.110 12.896 -1.708 238 3HD1 LEU 26 3HD1 LEU 26 -1.211 12.114 -0.808 239 1HD2 LEU 26 1HD2 LEU 26 -0.002 12.549 -3.768 240 2HD2 LEU 26 2HD2 LEU 26 -0.049 10.944 -4.536 241 3HD2 LEU 26 3HD2 LEU 26 -1.563 11.735 -4.033 242 H TYR 27 H TYR 27 1.130 9.857 1.377 243 HA TYR 27 HA TYR 27 -1.242 9.053 2.472 244 1HB TYR 27 1HB TYR 27 1.046 10.347 3.248 245 2HB TYR 27 2HB TYR 27 0.000 11.750 3.146 246 HD1 TYR 27 HD1 TYR 27 -2.515 9.956 4.020 247 HD2 TYR 27 HD2 TYR 27 1.358 10.737 5.662 248 HE1 TYR 27 HE1 TYR 27 -3.396 9.463 6.354 249 HE2 TYR 27 HE2 TYR 27 0.463 10.242 7.990 250 HH TYR 27 HH TYR 27 -1.669 10.277 9.141 251 H ASP 28 H ASP 28 -3.314 9.495 1.920 252 HA ASP 28 HA ASP 28 -3.804 12.121 0.770 253 1HB ASP 28 1HB ASP 28 -5.388 9.514 0.664 254 2HB ASP 28 2HB ASP 28 -6.000 11.029 0.029 255 H GLU 29 H GLU 29 -6.505 12.481 1.229 256 HA GLU 29 HA GLU 29 -6.554 13.060 3.974 257 1HB GLU 29 1HB GLU 29 -8.089 13.709 1.606 258 2HB GLU 29 2HB GLU 29 -9.196 13.237 2.880 259 1HG GLU 29 1HG GLU 29 -7.531 14.832 4.334 260 2HG GLU 29 2HG GLU 29 -7.319 15.576 2.761 261 H LYS 30 H LYS 30 -8.023 10.528 1.889 262 HA LYS 30 HA LYS 30 -9.767 9.486 3.804 263 1HB LYS 30 1HB LYS 30 -8.715 8.733 1.167 264 2HB LYS 30 2HB LYS 30 -9.080 7.354 2.185 265 1HG LYS 30 1HG LYS 30 -11.120 9.551 2.172 266 2HG LYS 30 2HG LYS 30 -10.956 8.649 0.678 267 1HD LYS 30 1HD LYS 30 -11.006 6.925 3.093 268 2HD LYS 30 2HD LYS 30 -12.471 7.862 2.879 269 1HE LYS 30 1HE LYS 30 -13.156 6.507 1.191 270 2HE LYS 30 2HE LYS 30 -11.675 6.797 0.301 271 1HZ LYS 30 1HZ LYS 30 -10.628 5.113 1.735 272 2HZ LYS 30 2HZ LYS 30 -12.085 4.779 2.393 273 3HZ LYS 30 3HZ LYS 30 -11.826 4.510 0.803 274 H ARG 31 H ARG 31 -6.309 8.819 3.042 275 HA ARG 31 HA ARG 31 -6.040 6.637 4.675 276 1HB ARG 31 1HB ARG 31 -4.363 8.250 3.079 277 2HB ARG 31 2HB ARG 31 -3.668 8.397 4.681 278 1HG ARG 31 1HG ARG 31 -2.639 6.483 3.574 279 2HG ARG 31 2HG ARG 31 -3.645 5.887 4.879 280 1HD ARG 31 1HD ARG 31 -3.919 4.597 2.718 281 2HD ARG 31 2HD ARG 31 -5.422 5.253 3.338 282 HE ARG 31 HE ARG 31 -4.128 7.111 1.514 283 1HH1 ARG 31 2HH2 ARG 31 -6.126 4.218 1.643 284 2HH1 ARG 31 1HH2 ARG 31 -6.836 4.484 0.085 285 1HH2 ARG 31 2HH1 ARG 31 -5.064 7.463 -0.541 286 2HH2 ARG 31 1HH1 ARG 31 -6.227 6.342 -1.165 287 H ARG 32 H ARG 32 -5.734 10.171 5.358 288 HA ARG 32 HA ARG 32 -4.690 10.020 7.859 289 1HB ARG 32 1HB ARG 32 -6.616 11.973 6.545 290 2HB ARG 32 2HB ARG 32 -6.115 12.220 8.206 291 1HG ARG 32 1HG ARG 32 -3.717 11.650 6.793 292 2HG ARG 32 2HG ARG 32 -4.624 12.715 5.736 293 1HD ARG 32 1HD ARG 32 -4.527 14.509 7.217 294 2HD ARG 32 2HD ARG 32 -4.553 13.483 8.638 295 HE ARG 32 HE ARG 32 -2.101 13.093 7.150 296 1HH1 ARG 32 2HH2 ARG 32 -3.695 15.320 9.359 297 2HH1 ARG 32 1HH2 ARG 32 -2.213 15.955 9.991 298 1HH2 ARG 32 2HH1 ARG 32 -0.145 13.930 7.983 299 2HH2 ARG 32 1HH1 ARG 32 -0.180 15.159 9.203 300 H GLN 33 H GLN 33 -8.103 9.694 6.752 301 HA GLN 33 HA GLN 33 -9.154 9.649 9.363 302 1HB GLN 33 1HB GLN 33 -10.141 9.556 6.637 303 2HB GLN 33 2HB GLN 33 -10.925 8.297 7.570 304 1HG GLN 33 1HG GLN 33 -10.822 10.661 9.218 305 2HG GLN 33 2HG GLN 33 -11.410 11.144 7.639 306 1HE2 GLN 33 1HE2 GLN 33 -13.116 9.767 6.666 307 2HE2 GLN 33 2HE2 GLN 33 -14.364 9.141 7.691 308 H ILE 34 H ILE 34 -7.620 7.295 7.253 309 HA ILE 34 HA ILE 34 -8.765 5.006 8.514 310 HB ILE 34 HB ILE 34 -6.459 5.430 6.621 311 1HG1 ILE 34 1HG1 ILE 34 -9.163 4.127 6.199 312 2HG1 ILE 34 2HG1 ILE 34 -8.797 5.793 5.797 313 1HG2 ILE 34 1HG2 ILE 34 -6.126 3.467 8.197 314 2HG2 ILE 34 2HG2 ILE 34 -7.560 2.737 7.436 315 3HG2 ILE 34 3HG2 ILE 34 -6.120 3.100 6.455 316 1HD1 ILE 34 1HD1 ILE 34 -7.287 5.195 4.079 317 2HD1 ILE 34 2HD1 ILE 34 -7.032 3.564 4.744 318 3HD1 ILE 34 3HD1 ILE 34 -8.565 3.965 3.932 319 H LYS 35 H LYS 35 -7.896 3.681 10.127 320 HA LYS 35 HA LYS 35 -5.395 4.602 11.326 321 1HB LYS 35 1HB LYS 35 -6.268 4.824 13.475 322 2HB LYS 35 2HB LYS 35 -7.463 5.611 12.463 323 1HG LYS 35 1HG LYS 35 -9.067 4.175 13.169 324 2HG LYS 35 2HG LYS 35 -8.133 2.804 12.602 325 1HD LYS 35 1HD LYS 35 -8.298 2.348 14.901 326 2HD LYS 35 2HD LYS 35 -6.732 3.129 14.807 327 1HE LYS 35 1HE LYS 35 -8.465 5.300 15.113 328 2HE LYS 35 2HE LYS 35 -9.228 4.069 16.099 329 1HZ LYS 35 1HZ LYS 35 -6.945 5.538 16.665 330 2HZ LYS 35 2HZ LYS 35 -7.689 4.430 17.607 331 3HZ LYS 35 3HZ LYS 35 -6.506 3.967 16.581 332 HA PRO 36 HA PRO 36 -4.629 0.372 11.688 333 1HB PRO 36 1HB PRO 36 -3.098 0.177 13.944 334 2HB PRO 36 2HB PRO 36 -2.466 0.714 12.400 335 1HG PRO 36 1HG PRO 36 -3.108 2.317 14.799 336 2HG PRO 36 2HG PRO 36 -2.101 2.745 13.431 337 1HD PRO 36 1HD PRO 36 -4.776 3.645 13.941 338 2HD PRO 36 2HD PRO 36 -3.812 3.979 12.517 339 H GLY 37 H GLY 37 -6.558 -0.695 11.819 340 1HA GLY 37 1HA GLY 37 -7.114 -2.327 13.846 341 2HA GLY 37 2HA GLY 37 -7.800 -0.831 14.448 342 H ASP 38 H ASP 38 -8.375 0.120 11.592 343 HA ASP 38 HA ASP 38 -10.963 -0.989 11.488 344 1HB ASP 38 1HB ASP 38 -9.408 0.869 9.635 345 2HB ASP 38 2HB ASP 38 -11.072 0.415 9.325 346 H VAL 39 H VAL 39 -11.622 -1.389 8.838 347 HA VAL 39 HA VAL 39 -9.635 -3.233 7.746 348 HB VAL 39 HB VAL 39 -12.540 -3.862 8.302 349 1HG1 VAL 39 1HG1 VAL 39 -10.515 -5.148 6.508 350 2HG1 VAL 39 2HG1 VAL 39 -11.643 -6.192 7.406 351 3HG1 VAL 39 3HG1 VAL 39 -12.271 -4.950 6.295 352 1HG2 VAL 39 1HG2 VAL 39 -10.731 -5.847 9.273 353 2HG2 VAL 39 2HG2 VAL 39 -10.159 -4.257 9.834 354 3HG2 VAL 39 3HG2 VAL 39 -11.820 -4.785 10.198 355 H ILE 40 H ILE 40 -9.708 -3.427 5.457 356 HA ILE 40 HA ILE 40 -11.584 -1.567 4.175 357 HB ILE 40 HB ILE 40 -8.763 -2.014 3.236 358 1HG1 ILE 40 1HG1 ILE 40 -8.698 0.473 4.364 359 2HG1 ILE 40 2HG1 ILE 40 -9.706 -0.382 5.514 360 1HG2 ILE 40 1HG2 ILE 40 -9.103 -0.039 1.947 361 2HG2 ILE 40 2HG2 ILE 40 -10.509 -1.097 1.681 362 3HG2 ILE 40 3HG2 ILE 40 -10.645 0.308 2.765 363 1HD1 ILE 40 1HD1 ILE 40 -8.022 -2.043 5.933 364 2HD1 ILE 40 2HD1 ILE 40 -7.078 -1.545 4.508 365 3HD1 ILE 40 3HD1 ILE 40 -7.170 -0.480 5.931 366 H SER 41 H SER 41 -12.949 -2.623 2.849 367 HA SER 41 HA SER 41 -12.149 -5.260 1.987 368 1HB SER 41 1HB SER 41 -14.369 -5.005 3.026 369 2HB SER 41 2HB SER 41 -14.819 -3.792 1.843 370 HG SER 41 HG SER 41 -14.667 -5.407 0.171 371 H PHE 42 H PHE 42 -11.807 -5.820 -0.188 372 HA PHE 42 HA PHE 42 -11.932 -3.563 -2.061 373 1HB PHE 42 1HB PHE 42 -10.202 -6.099 -1.861 374 2HB PHE 42 2HB PHE 42 -10.142 -5.025 -3.244 375 HD1 PHE 42 HD1 PHE 42 -10.701 -2.812 -0.729 376 HD2 PHE 42 HD2 PHE 42 -7.656 -5.447 -2.069 377 HE1 PHE 42 HE1 PHE 42 -8.974 -1.409 0.433 378 HE2 PHE 42 HE2 PHE 42 -5.930 -4.044 -0.907 379 HZ PHE 42 HZ PHE 42 -6.610 -2.042 0.330 380 H GLU 43 H GLU 43 -13.171 -3.756 -3.890 381 HA GLU 43 HA GLU 43 -14.610 -4.566 -5.299 382 1HB GLU 43 1HB GLU 43 -13.044 -7.157 -4.928 383 2HB GLU 43 2HB GLU 43 -14.223 -6.896 -6.198 384 1HG GLU 43 1HG GLU 43 -11.754 -5.147 -5.768 385 2HG GLU 43 2HG GLU 43 -11.833 -6.470 -6.915 386 H GLY 44 H GLY 44 -15.707 -4.304 -2.831 387 1HA GLY 44 1HA GLY 44 -17.694 -4.904 -1.881 388 2HA GLY 44 2HA GLY 44 -17.721 -6.379 -2.825 389 H GLY 45 H GLY 45 -15.627 -7.886 -2.219 390 1HA GLY 45 1HA GLY 45 -14.771 -7.818 0.488 391 2HA GLY 45 2HA GLY 45 -16.116 -8.925 0.300 392 H LYS 46 H LYS 46 -13.811 -8.228 -2.344 393 HA LYS 46 HA LYS 46 -13.220 -11.016 -2.555 394 1HB LYS 46 1HB LYS 46 -13.459 -9.081 -4.377 395 2HB LYS 46 2HB LYS 46 -11.733 -8.940 -4.111 396 1HG LYS 46 1HG LYS 46 -13.057 -11.633 -4.640 397 2HG LYS 46 2HG LYS 46 -12.523 -10.596 -5.948 398 1HD LYS 46 1HD LYS 46 -10.229 -10.542 -4.617 399 2HD LYS 46 2HD LYS 46 -10.851 -11.979 -3.830 400 1HE LYS 46 1HE LYS 46 -11.010 -11.862 -6.839 401 2HE LYS 46 2HE LYS 46 -9.430 -12.108 -6.121 402 1HZ LYS 46 1HZ LYS 46 -11.757 -13.829 -6.031 403 2HZ LYS 46 2HZ LYS 46 -10.184 -14.219 -6.230 404 3HZ LYS 46 3HZ LYS 46 -10.753 -13.854 -4.744 405 H LEU 47 H LEU 47 -11.558 -8.043 -1.410 406 HA LEU 47 HA LEU 47 -9.608 -9.798 -0.127 407 1HB LEU 47 1HB LEU 47 -9.008 -8.384 -2.420 408 2HB LEU 47 2HB LEU 47 -8.451 -7.315 -1.148 409 HG LEU 47 HG LEU 47 -6.646 -8.734 -1.918 410 1HD1 LEU 47 1HD1 LEU 47 -7.441 -9.723 0.826 411 2HD1 LEU 47 2HD1 LEU 47 -5.806 -9.464 0.171 412 3HD1 LEU 47 3HD1 LEU 47 -6.858 -8.070 0.516 413 1HD2 LEU 47 1HD2 LEU 47 -8.084 -11.184 -0.913 414 2HD2 LEU 47 2HD2 LEU 47 -8.260 -10.622 -2.593 415 3HD2 LEU 47 3HD2 LEU 47 -6.654 -11.067 -1.967 416 H LYS 48 H LYS 48 -9.765 -9.442 2.014 417 HA LYS 48 HA LYS 48 -10.565 -6.741 2.842 418 1HB LYS 48 1HB LYS 48 -10.871 -9.300 4.430 419 2HB LYS 48 2HB LYS 48 -11.555 -7.728 4.790 420 1HG LYS 48 1HG LYS 48 -12.201 -8.959 2.113 421 2HG LYS 48 2HG LYS 48 -12.976 -9.638 3.531 422 1HD LYS 48 1HD LYS 48 -13.441 -7.041 4.083 423 2HD LYS 48 2HD LYS 48 -13.259 -6.878 2.348 424 1HE LYS 48 1HE LYS 48 -15.532 -7.346 2.428 425 2HE LYS 48 2HE LYS 48 -14.923 -8.985 2.306 426 1HZ LYS 48 1HZ LYS 48 -14.987 -9.097 4.725 427 2HZ LYS 48 2HZ LYS 48 -15.626 -7.596 4.799 428 3HZ LYS 48 3HZ LYS 48 -16.466 -8.808 4.096 429 H VAL 49 H VAL 49 -9.117 -5.518 3.941 430 HA VAL 49 HA VAL 49 -6.888 -6.932 5.214 431 HB VAL 49 HB VAL 49 -5.338 -5.290 4.367 432 1HG1 VAL 49 1HG1 VAL 49 -5.047 -6.734 2.693 433 2HG1 VAL 49 2HG1 VAL 49 -6.772 -7.175 2.717 434 3HG1 VAL 49 3HG1 VAL 49 -6.218 -5.801 1.730 435 1HG2 VAL 49 1HG2 VAL 49 -5.864 -3.371 3.280 436 2HG2 VAL 49 2HG2 VAL 49 -7.225 -4.110 2.402 437 3HG2 VAL 49 3HG2 VAL 49 -7.431 -3.595 4.093 438 H ARG 50 H ARG 50 -5.952 -5.784 7.039 439 HA ARG 50 HA ARG 50 -7.648 -3.606 7.948 440 1HB ARG 50 1HB ARG 50 -8.405 -5.469 9.261 441 2HB ARG 50 2HB ARG 50 -6.783 -6.104 9.457 442 1HG ARG 50 1HG ARG 50 -6.920 -3.379 10.502 443 2HG ARG 50 2HG ARG 50 -8.179 -4.361 11.224 444 1HD ARG 50 1HD ARG 50 -5.503 -5.681 11.038 445 2HD ARG 50 2HD ARG 50 -5.573 -4.298 12.113 446 HE ARG 50 HE ARG 50 -7.822 -5.705 12.840 447 1HH1 ARG 50 2HH2 ARG 50 -4.454 -6.639 12.437 448 2HH1 ARG 50 1HH2 ARG 50 -4.526 -7.895 13.626 449 1HH2 ARG 50 2HH1 ARG 50 -7.919 -7.363 14.410 450 2HH2 ARG 50 1HH1 ARG 50 -6.511 -8.310 14.757 451 H VAL 51 H VAL 51 -6.471 -1.821 8.634 452 HA VAL 51 HA VAL 51 -3.709 -1.750 8.288 453 HB VAL 51 HB VAL 51 -5.475 0.088 9.916 454 1HG1 VAL 51 1HG1 VAL 51 -3.085 0.471 10.286 455 2HG1 VAL 51 2HG1 VAL 51 -2.817 0.581 8.529 456 3HG1 VAL 51 3HG1 VAL 51 -3.804 1.809 9.358 457 1HG2 VAL 51 1HG2 VAL 51 -5.148 1.325 7.506 458 2HG2 VAL 51 2HG2 VAL 51 -5.246 -0.380 7.005 459 3HG2 VAL 51 3HG2 VAL 51 -6.565 0.346 7.955 460 H LYS 52 H LYS 52 -1.955 -1.754 9.753 461 HA LYS 52 HA LYS 52 -2.643 -2.907 12.366 462 1HB LYS 52 1HB LYS 52 -0.872 -3.810 10.293 463 2HB LYS 52 2HB LYS 52 0.081 -3.407 11.706 464 1HG LYS 52 1HG LYS 52 -2.350 -4.809 12.515 465 2HG LYS 52 2HG LYS 52 -1.501 -5.740 11.297 466 1HD LYS 52 1HD LYS 52 -0.236 -6.494 13.046 467 2HD LYS 52 2HD LYS 52 0.608 -4.966 12.891 468 1HE LYS 52 1HE LYS 52 -1.623 -4.283 14.441 469 2HE LYS 52 2HE LYS 52 -1.226 -5.888 15.021 470 1HZ LYS 52 1HZ LYS 52 -0.043 -3.935 16.056 471 2HZ LYS 52 2HZ LYS 52 0.886 -5.204 15.615 472 3HZ LYS 52 3HZ LYS 52 0.852 -3.857 14.692 473 H ALA 53 H ALA 53 -0.577 -0.591 10.546 474 HA ALA 53 HA ALA 53 -0.574 1.181 12.769 475 1HB ALA 53 1HB ALA 53 2.138 0.065 11.994 476 2HB ALA 53 2HB ALA 53 1.719 1.095 13.384 477 3HB ALA 53 3HB ALA 53 1.191 -0.605 13.344 478 H ILE 54 H ILE 54 0.296 3.282 12.165 479 HA ILE 54 HA ILE 54 0.501 3.525 9.251 480 HB ILE 54 HB ILE 54 -1.251 4.709 10.940 481 1HG1 ILE 54 1HG1 ILE 54 -0.148 5.539 8.262 482 2HG1 ILE 54 2HG1 ILE 54 -1.649 4.712 8.628 483 1HG2 ILE 54 1HG2 ILE 54 0.615 5.959 12.037 484 2HG2 ILE 54 2HG2 ILE 54 0.896 6.796 10.492 485 3HG2 ILE 54 3HG2 ILE 54 -0.656 6.992 11.342 486 1HD1 ILE 54 1HD1 ILE 54 -2.436 6.876 8.251 487 2HD1 ILE 54 2HD1 ILE 54 -2.181 6.932 10.012 488 3HD1 ILE 54 3HD1 ILE 54 -0.969 7.636 8.915 489 H ARG 55 H ARG 55 2.132 4.917 8.338 490 HA ARG 55 HA ARG 55 4.113 5.912 10.134 491 1HB ARG 55 1HB ARG 55 4.720 3.664 8.155 492 2HB ARG 55 2HB ARG 55 5.973 4.672 8.850 493 1HG ARG 55 1HG ARG 55 5.178 3.998 11.157 494 2HG ARG 55 2HG ARG 55 4.018 2.918 10.409 495 1HD ARG 55 1HD ARG 55 5.719 1.488 9.534 496 2HD ARG 55 2HD ARG 55 6.963 2.711 9.695 497 HE ARG 55 HE ARG 55 6.006 2.247 12.306 498 1HH1 ARG 55 2HH2 ARG 55 7.578 0.382 9.770 499 2HH1 ARG 55 1HH2 ARG 55 8.361 -0.700 10.873 500 1HH2 ARG 55 2HH1 ARG 55 7.039 0.820 13.763 501 2HH2 ARG 55 1HH1 ARG 55 8.052 -0.448 13.160 502 H VAL 56 H VAL 56 5.198 7.694 9.206 503 HA VAL 56 HA VAL 56 4.573 8.183 6.375 504 HB VAL 56 HB VAL 56 4.957 10.189 8.605 505 1HG1 VAL 56 1HG1 VAL 56 4.499 11.884 7.071 506 2HG1 VAL 56 2HG1 VAL 56 5.536 10.778 6.139 507 3HG1 VAL 56 3HG1 VAL 56 3.773 10.764 5.894 508 1HG2 VAL 56 1HG2 VAL 56 2.332 9.738 7.220 509 2HG2 VAL 56 2HG2 VAL 56 2.823 8.642 8.534 510 3HG2 VAL 56 3HG2 VAL 56 2.670 10.389 8.843 511 H TYR 57 H TYR 57 6.240 9.105 5.065 512 HA TYR 57 HA TYR 57 8.892 9.128 6.323 513 1HB TYR 57 1HB TYR 57 7.784 7.736 3.823 514 2HB TYR 57 2HB TYR 57 9.493 8.112 3.923 515 HD1 TYR 57 HD1 TYR 57 10.983 6.694 5.093 516 HD2 TYR 57 HD2 TYR 57 6.764 6.230 5.629 517 HE1 TYR 57 HE1 TYR 57 11.376 4.531 6.372 518 HE2 TYR 57 HE2 TYR 57 7.171 4.069 6.906 519 HH TYR 57 HH TYR 57 9.431 2.285 6.749 520 H ASN 58 H ASN 58 10.524 9.976 4.438 521 HA ASN 58 HA ASN 58 9.599 12.597 3.956 522 1HB ASN 58 1HB ASN 58 11.980 12.096 4.503 523 2HB ASN 58 2HB ASN 58 12.135 11.138 3.043 524 1HD2 ASN 58 1HD2 ASN 58 13.191 12.122 1.515 525 2HD2 ASN 58 2HD2 ASN 58 13.152 13.807 1.117 526 H SER 59 H SER 59 10.447 9.676 1.979 527 HA SER 59 HA SER 59 8.657 10.581 -0.056 528 1HB SER 59 1HB SER 59 11.647 10.533 -0.437 529 2HB SER 59 2HB SER 59 10.635 10.042 -1.781 530 HG SER 59 HG SER 59 9.772 12.402 -0.530 531 H PHE 60 H PHE 60 8.697 8.807 -1.944 532 HA PHE 60 HA PHE 60 8.148 6.358 -0.728 533 1HB PHE 60 1HB PHE 60 8.172 7.678 -3.359 534 2HB PHE 60 2HB PHE 60 8.771 6.040 -3.529 535 HD1 PHE 60 HD1 PHE 60 7.268 4.261 -2.131 536 HD2 PHE 60 HD2 PHE 60 5.918 7.971 -3.687 537 HE1 PHE 60 HE1 PHE 60 4.910 3.400 -2.139 538 HE2 PHE 60 HE2 PHE 60 3.560 7.110 -3.695 539 HZ PHE 60 HZ PHE 60 3.085 4.834 -2.921 540 H ARG 61 H ARG 61 11.056 7.635 -2.409 541 HA ARG 61 HA ARG 61 12.354 5.264 -2.775 542 1HB ARG 61 1HB ARG 61 12.962 7.763 -3.434 543 2HB ARG 61 2HB ARG 61 13.850 7.768 -1.923 544 1HG ARG 61 1HG ARG 61 14.471 5.314 -3.323 545 2HG ARG 61 2HG ARG 61 14.650 6.644 -4.450 546 1HD ARG 61 1HD ARG 61 15.805 7.036 -1.698 547 2HD ARG 61 2HD ARG 61 16.629 5.899 -2.747 548 HE ARG 61 HE ARG 61 16.519 8.800 -3.070 549 1HH1 ARG 61 2HH2 ARG 61 16.943 5.750 -4.773 550 2HH1 ARG 61 1HH2 ARG 61 17.824 6.459 -6.086 551 1HH2 ARG 61 2HH1 ARG 61 17.681 9.736 -4.801 552 2HH2 ARG 61 1HH1 ARG 61 18.246 8.741 -6.102 553 H GLU 62 H GLU 62 12.241 7.458 0.094 554 HA GLU 62 HA GLU 62 14.161 6.101 1.567 555 1HB GLU 62 1HB GLU 62 12.082 8.162 2.059 556 2HB GLU 62 2HB GLU 62 12.490 7.211 3.474 557 1HG GLU 62 1HG GLU 62 14.431 8.781 1.717 558 2HG GLU 62 2HG GLU 62 13.967 9.167 3.362 559 H MET 63 H MET 63 10.679 5.561 1.034 560 HA MET 63 HA MET 63 10.428 3.744 3.187 561 1HB MET 63 1HB MET 63 8.760 5.010 1.153 562 2HB MET 63 2HB MET 63 8.422 3.291 1.160 563 1HG MET 63 1HG MET 63 7.673 3.302 3.403 564 2HG MET 63 2HG MET 63 8.575 4.749 3.808 565 1HE MET 63 1HE MET 63 4.899 4.789 1.018 566 2HE MET 63 2HE MET 63 6.543 4.400 0.457 567 3HE MET 63 3HE MET 63 5.713 3.317 1.599 568 H LEU 64 H LEU 64 10.779 3.447 -0.407 569 HA LEU 64 HA LEU 64 10.714 0.611 -0.343 570 1HB LEU 64 1HB LEU 64 11.820 2.380 -2.518 571 2HB LEU 64 2HB LEU 64 11.221 0.740 -2.666 572 HG LEU 64 HG LEU 64 9.227 2.623 -1.601 573 1HD1 LEU 64 1HD1 LEU 64 8.962 4.065 -3.353 574 2HD1 LEU 64 2HD1 LEU 64 10.734 3.897 -3.362 575 3HD1 LEU 64 3HD1 LEU 64 9.747 2.975 -4.522 576 1HD2 LEU 64 1HD2 LEU 64 8.717 0.313 -2.261 577 2HD2 LEU 64 2HD2 LEU 64 7.780 1.497 -3.202 578 3HD2 LEU 64 3HD2 LEU 64 9.186 0.690 -3.936 579 H GLU 65 H GLU 65 13.210 3.122 -0.016 580 HA GLU 65 HA GLU 65 15.336 1.291 -0.413 581 1HB GLU 65 1HB GLU 65 15.205 4.130 0.681 582 2HB GLU 65 2HB GLU 65 16.711 3.246 0.534 583 1HG GLU 65 1HG GLU 65 15.077 3.142 -1.932 584 2HG GLU 65 2HG GLU 65 15.514 4.777 -1.477 585 H LYS 66 H LYS 66 13.703 2.825 2.423 586 HA LYS 66 HA LYS 66 15.410 1.393 4.251 587 1HB LYS 66 1HB LYS 66 14.374 3.788 4.480 588 2HB LYS 66 2HB LYS 66 12.949 2.934 5.036 589 1HG LYS 66 1HG LYS 66 14.876 1.640 6.501 590 2HG LYS 66 2HG LYS 66 15.624 3.218 6.344 591 1HD LYS 66 1HD LYS 66 12.714 2.990 7.179 592 2HD LYS 66 2HD LYS 66 13.987 2.760 8.361 593 1HE LYS 66 1HE LYS 66 14.939 5.009 7.743 594 2HE LYS 66 2HE LYS 66 13.623 5.239 6.610 595 1HZ LYS 66 1HZ LYS 66 12.399 5.937 8.279 596 2HZ LYS 66 2HZ LYS 66 12.536 4.504 9.050 597 3HZ LYS 66 3HZ LYS 66 13.616 5.694 9.341 598 H GLU 67 H GLU 67 11.809 1.557 3.748 599 HA GLU 67 HA GLU 67 11.326 -0.737 5.201 600 1HB GLU 67 1HB GLU 67 9.792 1.210 4.001 601 2HB GLU 67 2HB GLU 67 9.450 -0.159 2.962 602 1HG GLU 67 1HG GLU 67 8.967 0.105 5.948 603 2HG GLU 67 2HG GLU 67 7.813 -0.298 4.692 604 H GLY 68 H GLY 68 11.558 -0.253 1.605 605 1HA GLY 68 1HA GLY 68 12.996 -2.067 0.591 606 2HA GLY 68 2HA GLY 68 11.858 -3.179 1.327 607 H LEU 69 H LEU 69 12.626 -2.011 -1.586 608 HA LEU 69 HA LEU 69 10.242 -0.928 -2.582 609 1HB LEU 69 1HB LEU 69 12.219 -0.541 -3.774 610 2HB LEU 69 2HB LEU 69 12.649 -2.240 -3.810 611 HG LEU 69 HG LEU 69 10.442 -2.470 -5.236 612 1HD1 LEU 69 1HD1 LEU 69 10.652 -0.170 -6.713 613 2HD1 LEU 69 2HD1 LEU 69 9.387 -0.517 -5.510 614 3HD1 LEU 69 3HD1 LEU 69 10.817 0.436 -5.047 615 1HD2 LEU 69 1HD2 LEU 69 13.227 -1.792 -5.950 616 2HD2 LEU 69 2HD2 LEU 69 12.205 -3.160 -6.450 617 3HD2 LEU 69 3HD2 LEU 69 12.028 -1.579 -7.248 618 H GLU 70 H GLU 70 11.603 -4.288 -2.890 619 HA GLU 70 HA GLU 70 9.238 -5.273 -3.997 620 1HB GLU 70 1HB GLU 70 11.832 -6.352 -3.055 621 2HB GLU 70 2HB GLU 70 10.506 -7.487 -2.900 622 1HG GLU 70 1HG GLU 70 9.897 -7.013 -5.324 623 2HG GLU 70 2HG GLU 70 11.335 -6.020 -5.447 624 H ASN 71 H ASN 71 9.989 -4.263 -0.823 625 HA ASN 71 HA ASN 71 8.202 -6.180 0.386 626 1HB ASN 71 1HB ASN 71 9.960 -3.944 1.511 627 2HB ASN 71 2HB ASN 71 8.855 -4.857 2.519 628 1HD2 ASN 71 1HD2 ASN 71 11.011 -5.716 -0.185 629 2HD2 ASN 71 2HD2 ASN 71 11.902 -6.957 0.629 630 H VAL 72 H VAL 72 7.788 -3.539 -1.477 631 HA VAL 72 HA VAL 72 5.451 -2.655 0.036 632 HB VAL 72 HB VAL 72 7.593 -0.893 -1.161 633 1HG1 VAL 72 1HG1 VAL 72 5.449 0.021 -1.823 634 2HG1 VAL 72 2HG1 VAL 72 4.826 -0.140 -0.163 635 3HG1 VAL 72 3HG1 VAL 72 6.132 1.018 -0.515 636 1HG2 VAL 72 1HG2 VAL 72 6.750 -0.142 1.476 637 2HG2 VAL 72 2HG2 VAL 72 7.136 -1.880 1.468 638 3HG2 VAL 72 3HG2 VAL 72 8.350 -0.696 0.925 639 H LEU 73 H LEU 73 7.302 -2.458 -3.080 640 HA LEU 73 HA LEU 73 4.707 -2.703 -4.437 641 1HB LEU 73 1HB LEU 73 6.074 -0.519 -4.621 642 2HB LEU 73 2HB LEU 73 7.152 -1.443 -5.647 643 HG LEU 73 HG LEU 73 4.708 -2.004 -6.773 644 1HD1 LEU 73 1HD1 LEU 73 4.028 0.645 -6.979 645 2HD1 LEU 73 2HD1 LEU 73 3.204 -0.561 -5.962 646 3HD1 LEU 73 3HD1 LEU 73 4.451 0.496 -5.257 647 1HD2 LEU 73 1HD2 LEU 73 5.959 -1.404 -8.501 648 2HD2 LEU 73 2HD2 LEU 73 5.690 0.305 -8.082 649 3HD2 LEU 73 3HD2 LEU 73 7.099 -0.562 -7.425 650 HA PRO 74 HA PRO 74 6.978 -6.449 -5.364 651 1HB PRO 74 1HB PRO 74 4.867 -8.170 -5.145 652 2HB PRO 74 2HB PRO 74 5.945 -7.802 -3.814 653 1HG PRO 74 1HG PRO 74 3.181 -6.860 -4.275 654 2HG PRO 74 2HG PRO 74 4.107 -6.860 -2.787 655 1HD PRO 74 1HD PRO 74 3.570 -4.604 -4.474 656 2HD PRO 74 2HD PRO 74 4.591 -4.628 -3.050 657 H GLY 75 H GLY 75 7.597 -6.571 -7.421 658 1HA GLY 75 1HA GLY 75 6.670 -7.671 -9.479 659 2HA GLY 75 2HA GLY 75 5.388 -6.479 -9.386 660 H VAL 76 H VAL 76 7.076 -4.257 -8.414 661 HA VAL 76 HA VAL 76 7.714 -3.013 -10.718 662 HB VAL 76 HB VAL 76 7.723 -2.319 -8.176 663 1HG1 VAL 76 1HG1 VAL 76 10.688 -2.180 -8.587 664 2HG1 VAL 76 2HG1 VAL 76 9.740 -2.201 -7.080 665 3HG1 VAL 76 3HG1 VAL 76 9.977 -3.704 -8.003 666 1HG2 VAL 76 1HG2 VAL 76 8.968 -1.093 -10.585 667 2HG2 VAL 76 2HG2 VAL 76 7.649 -0.504 -9.546 668 3HG2 VAL 76 3HG2 VAL 76 9.341 -0.336 -9.018 669 H LYS 77 H LYS 77 9.807 -2.477 -11.764 670 HA LYS 77 HA LYS 77 11.352 -4.901 -12.063 671 1HB LYS 77 1HB LYS 77 11.284 -2.268 -13.558 672 2HB LYS 77 2HB LYS 77 12.433 -3.541 -13.916 673 1HG LYS 77 1HG LYS 77 10.257 -5.081 -13.999 674 2HG LYS 77 2HG LYS 77 9.425 -3.559 -14.245 675 1HD LYS 77 1HD LYS 77 9.914 -3.893 -16.455 676 2HD LYS 77 2HD LYS 77 11.497 -3.272 -16.030 677 1HE LYS 77 1HE LYS 77 12.291 -5.610 -15.588 678 2HE LYS 77 2HE LYS 77 10.710 -6.227 -16.023 679 1HZ LYS 77 1HZ LYS 77 11.860 -4.481 -17.973 680 2HZ LYS 77 2HZ LYS 77 12.707 -5.857 -17.737 681 3HZ LYS 77 3HZ LYS 77 11.135 -5.931 -18.171 682 H SER 78 H SER 78 11.587 -1.665 -10.614 683 HA SER 78 HA SER 78 13.686 -2.444 -8.996 684 1HB SER 78 1HB SER 78 14.971 -2.271 -11.168 685 2HB SER 78 2HB SER 78 14.554 -0.570 -11.241 686 HG SER 78 HG SER 78 16.165 -1.911 -9.250 687 H ILE 79 H ILE 79 14.695 -0.316 -7.896 688 HA ILE 79 HA ILE 79 12.580 1.124 -6.851 689 HB ILE 79 HB ILE 79 15.536 1.728 -6.935 690 1HG1 ILE 79 1HG1 ILE 79 13.763 0.163 -5.069 691 2HG1 ILE 79 2HG1 ILE 79 15.260 -0.326 -5.836 692 1HG2 ILE 79 1HG2 ILE 79 15.275 3.521 -5.593 693 2HG2 ILE 79 2HG2 ILE 79 13.670 3.592 -6.359 694 3HG2 ILE 79 3HG2 ILE 79 13.860 2.835 -4.760 695 1HD1 ILE 79 1HD1 ILE 79 14.841 1.167 -3.325 696 2HD1 ILE 79 2HD1 ILE 79 16.256 0.233 -3.867 697 3HD1 ILE 79 3HD1 ILE 79 16.050 1.921 -4.392 698 H GLU 80 H GLU 80 14.611 1.683 -9.724 699 HA GLU 80 HA GLU 80 13.912 4.357 -10.057 700 1HB GLU 80 1HB GLU 80 15.404 2.319 -11.482 701 2HB GLU 80 2HB GLU 80 14.387 3.182 -12.619 702 1HG GLU 80 1HG GLU 80 15.585 5.087 -10.776 703 2HG GLU 80 2HG GLU 80 16.843 4.067 -11.445 704 H GLU 81 H GLU 81 12.596 1.306 -11.524 705 HA GLU 81 HA GLU 81 10.657 2.593 -13.026 706 1HB GLU 81 1HB GLU 81 11.233 -0.197 -12.142 707 2HB GLU 81 2HB GLU 81 9.568 0.113 -12.592 708 1HG GLU 81 1HG GLU 81 12.037 0.623 -14.314 709 2HG GLU 81 2HG GLU 81 10.827 -0.618 -14.571 710 H GLY 82 H GLY 82 10.804 1.614 -9.616 711 1HA GLY 82 1HA GLY 82 8.080 1.588 -8.996 712 2HA GLY 82 2HA GLY 82 9.398 1.929 -7.893 713 H ILE 83 H ILE 83 10.508 4.286 -9.006 714 HA ILE 83 HA ILE 83 8.755 6.207 -7.977 715 HB ILE 83 HB ILE 83 11.382 6.171 -9.357 716 1HG1 ILE 83 1HG1 ILE 83 10.948 7.932 -7.053 717 2HG1 ILE 83 2HG1 ILE 83 10.503 6.268 -6.730 718 1HG2 ILE 83 1HG2 ILE 83 10.365 7.936 -10.609 719 2HG2 ILE 83 2HG2 ILE 83 9.658 8.650 -9.140 720 3HG2 ILE 83 3HG2 ILE 83 11.421 8.674 -9.381 721 1HD1 ILE 83 1HD1 ILE 83 13.174 7.178 -7.898 722 2HD1 ILE 83 2HD1 ILE 83 12.896 6.668 -6.215 723 3HD1 ILE 83 3HD1 ILE 83 12.721 5.494 -7.542 724 H GLN 84 H GLN 84 9.150 4.775 -11.180 725 HA GLN 84 HA GLN 84 7.888 6.874 -12.559 726 1HB GLN 84 1HB GLN 84 8.792 4.091 -13.156 727 2HB GLN 84 2HB GLN 84 7.508 4.701 -14.180 728 1HG GLN 84 1HG GLN 84 10.232 5.994 -13.708 729 2HG GLN 84 2HG GLN 84 9.668 5.257 -15.194 730 1HE2 GLN 84 1HE2 GLN 84 10.317 8.091 -13.869 731 2HE2 GLN 84 2HE2 GLN 84 9.166 9.139 -14.629 732 H VAL 85 H VAL 85 6.794 3.879 -10.925 733 HA VAL 85 HA VAL 85 4.181 3.900 -11.962 734 HB VAL 85 HB VAL 85 5.643 2.605 -9.710 735 1HG1 VAL 85 1HG1 VAL 85 3.521 3.294 -8.671 736 2HG1 VAL 85 2HG1 VAL 85 2.620 2.511 -9.991 737 3HG1 VAL 85 3HG1 VAL 85 3.604 1.528 -8.880 738 1HG2 VAL 85 1HG2 VAL 85 4.253 0.656 -10.974 739 2HG2 VAL 85 2HG2 VAL 85 4.383 1.847 -12.290 740 3HG2 VAL 85 3HG2 VAL 85 5.854 1.229 -11.501 741 H TYR 86 H TYR 86 5.801 5.570 -9.255 742 HA TYR 86 HA TYR 86 3.344 6.478 -8.104 743 1HB TYR 86 1HB TYR 86 6.178 7.631 -7.852 744 2HB TYR 86 2HB TYR 86 4.932 7.632 -6.620 745 HD1 TYR 86 HD1 TYR 86 4.206 4.588 -7.281 746 HD2 TYR 86 HD2 TYR 86 7.803 6.675 -6.278 747 HE1 TYR 86 HE1 TYR 86 5.178 2.454 -6.299 748 HE2 TYR 86 HE2 TYR 86 8.764 4.534 -5.299 749 HH TYR 86 HH TYR 86 7.839 1.673 -5.974 750 H ARG 87 H ARG 87 5.238 7.379 -10.849 751 HA ARG 87 HA ARG 87 4.741 10.148 -10.672 752 1HB ARG 87 1HB ARG 87 6.416 8.528 -12.185 753 2HB ARG 87 2HB ARG 87 5.215 8.984 -13.376 754 1HG ARG 87 1HG ARG 87 6.924 10.674 -13.479 755 2HG ARG 87 2HG ARG 87 5.559 11.417 -12.670 756 1HD ARG 87 1HD ARG 87 6.591 11.252 -10.512 757 2HD ARG 87 2HD ARG 87 7.757 10.065 -11.061 758 HE ARG 87 HE ARG 87 7.923 12.658 -12.445 759 1HH1 ARG 87 2HH2 ARG 87 9.074 10.705 -9.754 760 2HH1 ARG 87 1HH2 ARG 87 10.532 11.617 -9.549 761 1HH2 ARG 87 2HH1 ARG 87 9.846 13.862 -12.175 762 2HH2 ARG 87 1HH1 ARG 87 10.974 13.425 -10.935 763 H ARG 88 H ARG 88 3.375 7.393 -12.607 764 HA ARG 88 HA ARG 88 1.510 8.978 -13.928 765 1HB ARG 88 1HB ARG 88 0.516 6.845 -14.642 766 2HB ARG 88 2HB ARG 88 2.262 6.699 -14.680 767 1HG ARG 88 1HG ARG 88 2.036 5.761 -12.242 768 2HG ARG 88 2HG ARG 88 0.334 5.575 -12.615 769 1HD ARG 88 1HD ARG 88 2.062 4.527 -14.769 770 2HD ARG 88 2HD ARG 88 2.372 3.741 -13.234 771 HE ARG 88 HE ARG 88 -0.483 4.003 -13.879 772 1HH1 ARG 88 2HH2 ARG 88 2.389 1.992 -14.174 773 2HH1 ARG 88 1HH2 ARG 88 1.496 0.532 -14.437 774 1HH2 ARG 88 2HH1 ARG 88 -1.663 2.077 -14.226 775 2HH2 ARG 88 1HH1 ARG 88 -0.824 0.581 -14.467 776 H PHE 89 H PHE 89 1.534 7.232 -10.811 777 HA PHE 89 HA PHE 89 -1.300 7.642 -10.433 778 1HB PHE 89 1HB PHE 89 1.065 6.339 -9.030 779 2HB PHE 89 2HB PHE 89 -0.342 6.715 -8.055 780 HD1 PHE 89 HD1 PHE 89 1.069 4.021 -9.197 781 HD2 PHE 89 HD2 PHE 89 -2.542 6.124 -9.935 782 HE1 PHE 89 HE1 PHE 89 -0.021 1.888 -9.946 783 HE2 PHE 89 HE2 PHE 89 -3.632 3.991 -10.684 784 HZ PHE 89 HZ PHE 89 -2.358 1.898 -10.680 785 H TYR 90 H TYR 90 1.786 8.614 -8.766 786 HA TYR 90 HA TYR 90 0.299 10.923 -7.705 787 1HB TYR 90 1HB TYR 90 2.920 9.830 -6.606 788 2HB TYR 90 2HB TYR 90 1.623 10.609 -5.722 789 HD1 TYR 90 HD1 TYR 90 -0.735 9.006 -6.498 790 HD2 TYR 90 HD2 TYR 90 3.252 7.764 -5.570 791 HE1 TYR 90 HE1 TYR 90 -1.605 6.729 -5.776 792 HE2 TYR 90 HE2 TYR 90 2.369 5.491 -4.851 793 HH TYR 90 HH TYR 90 -0.665 4.902 -4.070 794 H ASP 91 H ASP 91 2.631 12.284 -6.725 795 HA ASP 91 HA ASP 91 4.326 12.618 -9.012 796 1HB ASP 91 1HB ASP 91 2.140 14.487 -8.303 797 2HB ASP 91 2HB ASP 91 3.700 15.279 -8.403 798 H GLU 92 H GLU 92 5.928 14.629 -8.381 799 HA GLU 92 HA GLU 92 6.944 13.931 -5.829 800 1HB GLU 92 1HB GLU 92 7.829 15.520 -8.184 801 2HB GLU 92 2HB GLU 92 8.452 16.092 -6.649 802 1HG GLU 92 1HG GLU 92 8.590 13.162 -6.821 803 2HG GLU 92 2HG GLU 92 9.429 13.914 -8.163 804 H GLU 93 H GLU 93 5.115 16.645 -7.262 805 HA GLU 93 HA GLU 93 5.523 18.386 -5.103 806 1HB GLU 93 1HB GLU 93 4.354 18.517 -7.657 807 2HB GLU 93 2HB GLU 93 3.010 18.800 -6.569 808 1HG GLU 93 1HG GLU 93 3.754 20.963 -6.548 809 2HG GLU 93 2HG GLU 93 4.932 20.377 -5.391 810 H LYS 94 H LYS 94 2.708 16.305 -6.092 811 HA LYS 94 HA LYS 94 1.097 16.885 -3.928 812 1HB LYS 94 1HB LYS 94 1.155 15.030 -6.124 813 2HB LYS 94 2HB LYS 94 0.682 14.172 -4.672 814 1HG LYS 94 1HG LYS 94 -0.606 16.830 -4.919 815 2HG LYS 94 2HG LYS 94 -0.999 15.751 -6.243 816 1HD LYS 94 1HD LYS 94 -1.637 13.975 -4.564 817 2HD LYS 94 2HD LYS 94 -1.318 15.115 -3.271 818 1HE LYS 94 1HE LYS 94 -2.999 16.643 -4.779 819 2HE LYS 94 2HE LYS 94 -3.586 15.057 -5.239 820 1HZ LYS 94 1HZ LYS 94 -3.777 16.391 -2.721 821 2HZ LYS 94 2HZ LYS 94 -4.733 15.232 -3.361 822 3HZ LYS 94 3HZ LYS 94 -3.350 14.820 -2.597 823 H GLU 95 H GLU 95 3.628 14.328 -4.320 824 HA GLU 95 HA GLU 95 3.189 13.234 -1.796 825 1HB GLU 95 1HB GLU 95 4.535 12.376 -3.925 826 2HB GLU 95 2HB GLU 95 5.896 13.145 -3.134 827 1HG GLU 95 1HG GLU 95 5.821 11.695 -1.275 828 2HG GLU 95 2HG GLU 95 4.125 11.316 -1.503 829 H LYS 96 H LYS 96 5.647 15.606 -3.028 830 HA LYS 96 HA LYS 96 6.983 15.956 -0.627 831 1HB LYS 96 1HB LYS 96 6.594 17.726 -3.046 832 2HB LYS 96 2HB LYS 96 7.580 18.219 -1.684 833 1HG LYS 96 1HG LYS 96 8.089 15.462 -2.753 834 2HG LYS 96 2HG LYS 96 8.554 16.792 -3.795 835 1HD LYS 96 1HD LYS 96 9.362 16.744 -0.863 836 2HD LYS 96 2HD LYS 96 10.308 15.900 -2.073 837 1HE LYS 96 1HE LYS 96 11.363 17.859 -2.518 838 2HE LYS 96 2HE LYS 96 9.863 18.452 -3.204 839 1HZ LYS 96 1HZ LYS 96 11.109 19.283 -0.880 840 2HZ LYS 96 2HZ LYS 96 9.714 19.839 -1.523 841 3HZ LYS 96 3HZ LYS 96 9.684 18.618 -0.439 842 H LYS 97 H LYS 97 3.756 16.820 -1.553 843 HA LYS 97 HA LYS 97 3.513 19.081 0.153 844 1HB LYS 97 1HB LYS 97 2.069 18.070 -1.928 845 2HB LYS 97 2HB LYS 97 1.086 17.552 -0.574 846 1HG LYS 97 1HG LYS 97 0.827 19.810 0.239 847 2HG LYS 97 2HG LYS 97 2.107 20.412 -0.795 848 1HD LYS 97 1HD LYS 97 -0.303 19.092 -2.064 849 2HD LYS 97 2HD LYS 97 -0.448 20.737 -1.477 850 1HE LYS 97 1HE LYS 97 1.995 20.736 -2.891 851 2HE LYS 97 2HE LYS 97 0.945 19.728 -3.867 852 1HZ LYS 97 1HZ LYS 97 -0.724 21.613 -3.488 853 2HZ LYS 97 2HZ LYS 97 0.582 22.516 -3.107 854 3HZ LYS 97 3HZ LYS 97 0.468 21.829 -4.584 855 H TYR 98 H TYR 98 2.231 15.683 0.369 856 HA TYR 98 HA TYR 98 2.031 16.088 3.264 857 1HB TYR 98 1HB TYR 98 0.974 13.998 1.259 858 2HB TYR 98 2HB TYR 98 0.611 13.957 2.973 859 HD1 TYR 98 HD1 TYR 98 -0.890 15.646 3.984 860 HD2 TYR 98 HD2 TYR 98 -0.133 15.566 -0.226 861 HE1 TYR 98 HE1 TYR 98 -2.912 17.135 3.585 862 HE2 TYR 98 HE2 TYR 98 -2.157 17.055 -0.611 863 HH TYR 98 HH TYR 98 -4.531 17.429 1.424 864 H GLY 99 H GLY 99 3.041 13.566 0.842 865 1HA GLY 99 1HA GLY 99 5.349 12.755 1.141 866 2HA GLY 99 2HA GLY 99 4.997 12.618 2.853 867 H VAL 100 H VAL 100 5.841 10.310 1.969 868 HA VAL 100 HA VAL 100 3.545 8.780 1.006 869 HB VAL 100 HB VAL 100 6.184 7.504 1.399 870 1HG1 VAL 100 1HG1 VAL 100 4.413 7.572 -1.057 871 2HG1 VAL 100 2HG1 VAL 100 5.630 6.355 -0.602 872 3HG1 VAL 100 3HG1 VAL 100 4.113 6.484 0.320 873 1HG2 VAL 100 1HG2 VAL 100 6.751 8.577 -0.979 874 2HG2 VAL 100 2HG2 VAL 100 5.808 9.929 -0.306 875 3HG2 VAL 100 3HG2 VAL 100 7.254 9.339 0.550 876 H VAL 101 H VAL 101 2.318 7.648 2.416 877 HA VAL 101 HA VAL 101 3.456 7.212 5.083 878 HB VAL 101 HB VAL 101 1.424 8.619 4.863 879 1HG1 VAL 101 1HG1 VAL 101 -0.240 6.196 4.308 880 2HG1 VAL 101 2HG1 VAL 101 -0.560 7.912 3.959 881 3HG1 VAL 101 3HG1 VAL 101 0.570 6.992 2.937 882 1HG2 VAL 101 1HG2 VAL 101 0.067 7.323 6.583 883 2HG2 VAL 101 2HG2 VAL 101 1.252 6.009 6.390 884 3HG2 VAL 101 3HG2 VAL 101 1.780 7.603 6.980 885 H ALA 102 H ALA 102 4.392 5.230 5.224 886 HA ALA 102 HA ALA 102 3.375 3.070 3.604 887 1HB ALA 102 1HB ALA 102 5.695 3.029 3.699 888 2HB ALA 102 2HB ALA 102 5.743 3.575 5.393 889 3HB ALA 102 3HB ALA 102 5.288 1.896 5.011 890 H ILE 103 H ILE 103 1.363 2.398 4.322 891 HA ILE 103 HA ILE 103 1.075 1.926 7.187 892 HB ILE 103 HB ILE 103 -1.321 1.628 6.611 893 1HG1 ILE 103 1HG1 ILE 103 -0.486 1.209 4.053 894 2HG1 ILE 103 2HG1 ILE 103 -2.130 1.593 4.521 895 1HG2 ILE 103 1HG2 ILE 103 -1.779 3.986 6.320 896 2HG2 ILE 103 2HG2 ILE 103 -0.386 3.771 7.406 897 3HG2 ILE 103 3HG2 ILE 103 -0.128 4.266 5.716 898 1HD1 ILE 103 1HD1 ILE 103 -0.005 3.633 3.714 899 2HD1 ILE 103 2HD1 ILE 103 -1.358 3.082 2.698 900 3HD1 ILE 103 3HD1 ILE 103 -1.680 4.017 4.178 901 H GLU 104 H GLU 104 0.916 -0.106 8.074 902 HA GLU 104 HA GLU 104 1.648 -2.239 6.310 903 1HB GLU 104 1HB GLU 104 2.409 -1.678 8.829 904 2HB GLU 104 2HB GLU 104 1.037 -2.694 9.221 905 1HG GLU 104 1HG GLU 104 2.022 -4.611 8.366 906 2HG GLU 104 2HG GLU 104 2.858 -3.748 7.091 907 H ILE 105 H ILE 105 0.029 -3.167 5.115 908 HA ILE 105 HA ILE 105 -2.607 -3.386 6.336 909 HB ILE 105 HB ILE 105 -3.299 -4.023 4.039 910 1HG1 ILE 105 1HG1 ILE 105 -1.650 -3.465 2.197 911 2HG1 ILE 105 2HG1 ILE 105 -0.387 -3.477 3.412 912 1HG2 ILE 105 1HG2 ILE 105 -3.163 -1.773 3.130 913 2HG2 ILE 105 2HG2 ILE 105 -3.473 -1.719 4.882 914 3HG2 ILE 105 3HG2 ILE 105 -1.843 -1.373 4.255 915 1HD1 ILE 105 1HD1 ILE 105 -1.356 -5.706 2.017 916 2HD1 ILE 105 2HD1 ILE 105 -0.335 -5.747 3.474 917 3HD1 ILE 105 3HD1 ILE 105 -2.106 -5.854 3.624 918 H GLU 106 H GLU 106 -3.658 -5.367 6.689 919 HA GLU 106 HA GLU 106 -2.010 -7.713 6.199 920 1HB GLU 106 1HB GLU 106 -3.376 -6.961 8.816 921 2HB GLU 106 2HB GLU 106 -2.808 -8.583 8.473 922 1HG GLU 106 1HG GLU 106 -0.960 -6.179 8.211 923 2HG GLU 106 2HG GLU 106 -1.206 -6.970 9.756 924 HA PRO 107 HA PRO 107 -6.052 -8.625 4.603 925 1HB PRO 107 1HB PRO 107 -5.237 -10.407 2.698 926 2HB PRO 107 2HB PRO 107 -5.366 -8.684 2.406 927 1HG PRO 107 1HG PRO 107 -2.937 -10.318 2.813 928 2HG PRO 107 2HG PRO 107 -3.079 -8.719 2.112 929 1HD PRO 107 1HD PRO 107 -2.147 -9.360 4.748 930 2HD PRO 107 2HD PRO 107 -2.399 -7.757 4.086 931 H LEU 108 H LEU 108 -7.240 -9.647 6.101 932 HA LEU 108 HA LEU 108 -6.224 -12.037 7.250 933 1HB LEU 108 1HB LEU 108 -9.094 -11.269 7.458 934 2HB LEU 108 2HB LEU 108 -8.013 -11.925 8.670 935 HG LEU 108 HG LEU 108 -6.958 -9.392 8.031 936 1HD1 LEU 108 1HD1 LEU 108 -9.685 -9.391 7.331 937 2HD1 LEU 108 2HD1 LEU 108 -9.574 -8.549 8.895 938 3HD1 LEU 108 3HD1 LEU 108 -8.599 -7.992 7.514 939 1HD2 LEU 108 1HD2 LEU 108 -7.236 -8.945 10.305 940 2HD2 LEU 108 2HD2 LEU 108 -8.704 -9.945 10.424 941 3HD2 LEU 108 3HD2 LEU 108 -7.113 -10.719 10.229 942 H GLU 109 H GLU 109 -5.781 -13.094 5.086 943 HA GLU 109 HA GLU 109 -8.035 -14.780 4.518 944 1HB GLU 109 1HB GLU 109 -7.554 -12.593 2.838 945 2HB GLU 109 2HB GLU 109 -6.760 -13.914 2.005 946 1HG GLU 109 1HG GLU 109 -8.788 -14.586 1.249 947 2HG GLU 109 2HG GLU 109 -9.216 -15.011 2.894 948 H TYR 110 H TYR 110 -5.204 -14.787 5.727 949 HA TYR 110 HA TYR 110 -3.241 -15.853 4.315 950 1HB TYR 110 1HB TYR 110 -3.059 -17.455 6.419 951 2HB TYR 110 2HB TYR 110 -3.072 -15.729 6.722 952 HD1 TYR 110 HD1 TYR 110 -4.948 -18.861 7.047 953 HD2 TYR 110 HD2 TYR 110 -5.052 -14.633 7.694 954 HE1 TYR 110 HE1 TYR 110 -6.956 -19.138 8.582 955 HE2 TYR 110 HE2 TYR 110 -7.060 -14.924 9.227 956 HH TYR 110 HH TYR 110 -8.235 -18.149 10.065 Start of MODEL 19 1 HA MET 1 HA MET 1 -16.284 3.595 9.816 2 1HB MET 1 1HB MET 1 -15.571 1.734 12.153 3 2HB MET 1 2HB MET 1 -14.444 2.841 11.393 4 1HG MET 1 1HG MET 1 -15.139 4.436 12.855 5 2HG MET 1 2HG MET 1 -16.676 4.460 12.014 6 1HE MET 1 1HE MET 1 -15.398 4.221 15.593 7 2HE MET 1 2HE MET 1 -15.598 2.491 15.960 8 3HE MET 1 3HE MET 1 -14.497 3.003 14.659 9 H GLU 2 H GLU 2 -16.375 2.552 7.755 10 HA GLU 2 HA GLU 2 -14.734 0.166 7.683 11 1HB GLU 2 1HB GLU 2 -17.426 -0.133 7.473 12 2HB GLU 2 2HB GLU 2 -17.062 0.221 5.796 13 1HG GLU 2 1HG GLU 2 -15.347 -1.605 5.784 14 2HG GLU 2 2HG GLU 2 -15.718 -1.962 7.459 15 H TRP 3 H TRP 3 -13.635 -0.147 5.598 16 HA TRP 3 HA TRP 3 -13.706 2.275 3.930 17 1HB TRP 3 1HB TRP 3 -11.236 0.664 4.579 18 2HB TRP 3 2HB TRP 3 -11.328 2.148 3.652 19 HD1 TRP 3 HD1 TRP 3 -10.356 1.118 6.987 20 HE1 TRP 3 HE1 TRP 3 -10.423 3.035 8.799 21 HE3 TRP 3 HE3 TRP 3 -13.193 4.329 4.248 22 HZ2 TRP 3 HZ2 TRP 3 -11.628 5.621 8.882 23 HZ3 TRP 3 HZ3 TRP 3 -13.770 6.529 5.268 24 HH2 TRP 3 HH2 TRP 3 -13.035 7.194 7.502 25 H GLU 4 H GLU 4 -13.866 1.880 1.722 26 HA GLU 4 HA GLU 4 -13.621 -0.917 0.939 27 1HB GLU 4 1HB GLU 4 -15.581 -0.719 -0.485 28 2HB GLU 4 2HB GLU 4 -16.025 -0.228 1.137 29 1HG GLU 4 1HG GLU 4 -15.065 2.123 -0.198 30 2HG GLU 4 2HG GLU 4 -16.141 1.314 -1.320 31 H MET 5 H MET 5 -12.953 -1.271 -1.308 32 HA MET 5 HA MET 5 -12.209 1.052 -2.804 33 1HB MET 5 1HB MET 5 -10.272 -0.629 -1.257 34 2HB MET 5 2HB MET 5 -9.813 -0.366 -2.928 35 1HG MET 5 1HG MET 5 -9.853 2.049 -2.657 36 2HG MET 5 2HG MET 5 -10.645 1.929 -1.099 37 1HE MET 5 1HE MET 5 -8.506 2.695 1.006 38 2HE MET 5 2HE MET 5 -9.900 1.603 0.824 39 3HE MET 5 3HE MET 5 -8.340 0.967 1.399 40 H GLY 6 H GLY 6 -10.731 0.068 -4.832 41 1HA GLY 6 1HA GLY 6 -11.774 -2.540 -5.632 42 2HA GLY 6 2HA GLY 6 -12.287 -1.156 -6.577 43 H LEU 7 H LEU 7 -10.524 -3.507 -7.296 44 HA LEU 7 HA LEU 7 -8.659 -2.089 -8.827 45 1HB LEU 7 1HB LEU 7 -6.579 -2.798 -7.817 46 2HB LEU 7 2HB LEU 7 -7.487 -1.746 -6.748 47 HG LEU 7 HG LEU 7 -7.301 -4.763 -6.511 48 1HD1 LEU 7 1HD1 LEU 7 -6.240 -3.285 -4.273 49 2HD1 LEU 7 2HD1 LEU 7 -5.457 -4.506 -5.305 50 3HD1 LEU 7 3HD1 LEU 7 -5.435 -2.791 -5.782 51 1HD2 LEU 7 1HD2 LEU 7 -8.827 -2.693 -4.946 52 2HD2 LEU 7 2HD2 LEU 7 -9.383 -4.249 -5.609 53 3HD2 LEU 7 3HD2 LEU 7 -8.302 -4.219 -4.195 54 H GLN 8 H GLN 8 -7.049 -3.778 -9.879 55 HA GLN 8 HA GLN 8 -8.646 -5.694 -11.044 56 1HB GLN 8 1HB GLN 8 -5.727 -5.032 -11.025 57 2HB GLN 8 2HB GLN 8 -6.146 -6.639 -11.584 58 1HG GLN 8 1HG GLN 8 -7.820 -5.589 -13.179 59 2HG GLN 8 2HG GLN 8 -7.252 -4.009 -12.677 60 1HE2 GLN 8 1HE2 GLN 8 -5.951 -3.139 -14.083 61 2HE2 GLN 8 2HE2 GLN 8 -4.730 -3.929 -15.024 62 H GLU 9 H GLU 9 -8.196 -8.136 -11.068 63 HA GLU 9 HA GLU 9 -8.512 -9.084 -8.467 64 1HB GLU 9 1HB GLU 9 -9.513 -10.189 -10.429 65 2HB GLU 9 2HB GLU 9 -7.925 -10.562 -11.070 66 1HG GLU 9 1HG GLU 9 -7.764 -11.624 -8.504 67 2HG GLU 9 2HG GLU 9 -9.448 -11.904 -8.902 68 H GLU 10 H GLU 10 -5.734 -9.035 -10.760 69 HA GLU 10 HA GLU 10 -4.082 -10.663 -9.243 70 1HB GLU 10 1HB GLU 10 -3.860 -8.909 -11.585 71 2HB GLU 10 2HB GLU 10 -2.405 -8.856 -10.609 72 1HG GLU 10 1HG GLU 10 -2.476 -11.438 -10.591 73 2HG GLU 10 2HG GLU 10 -3.730 -11.326 -11.810 74 H PHE 11 H PHE 11 -4.816 -7.164 -9.127 75 HA PHE 11 HA PHE 11 -2.678 -6.512 -7.393 76 1HB PHE 11 1HB PHE 11 -4.749 -5.267 -8.904 77 2HB PHE 11 2HB PHE 11 -5.167 -4.893 -7.244 78 HD1 PHE 11 HD1 PHE 11 -3.360 -3.802 -5.785 79 HD2 PHE 11 HD2 PHE 11 -3.098 -4.037 -10.014 80 HE1 PHE 11 HE1 PHE 11 -1.687 -1.931 -5.786 81 HE2 PHE 11 HE2 PHE 11 -1.424 -2.166 -10.015 82 HZ PHE 11 HZ PHE 11 -0.739 -1.135 -7.900 83 H LEU 12 H LEU 12 -5.934 -7.843 -6.967 84 HA LEU 12 HA LEU 12 -6.286 -7.080 -4.288 85 1HB LEU 12 1HB LEU 12 -7.491 -9.052 -6.165 86 2HB LEU 12 2HB LEU 12 -7.783 -9.276 -4.452 87 HG LEU 12 HG LEU 12 -8.255 -6.553 -5.587 88 1HD1 LEU 12 1HD1 LEU 12 -10.712 -7.866 -5.862 89 2HD1 LEU 12 2HD1 LEU 12 -9.670 -7.231 -7.158 90 3HD1 LEU 12 3HD1 LEU 12 -9.521 -8.930 -6.648 91 1HD2 LEU 12 1HD2 LEU 12 -9.331 -8.245 -3.355 92 2HD2 LEU 12 2HD2 LEU 12 -8.683 -6.587 -3.322 93 3HD2 LEU 12 3HD2 LEU 12 -10.300 -6.897 -3.998 94 H GLU 13 H GLU 13 -4.791 -9.957 -5.870 95 HA GLU 13 HA GLU 13 -4.319 -11.244 -3.415 96 1HB GLU 13 1HB GLU 13 -4.488 -12.394 -5.644 97 2HB GLU 13 2HB GLU 13 -2.961 -11.672 -6.113 98 1HG GLU 13 1HG GLU 13 -1.774 -13.234 -4.967 99 2HG GLU 13 2HG GLU 13 -2.695 -12.954 -3.502 100 H LEU 14 H LEU 14 -2.610 -8.826 -5.366 101 HA LEU 14 HA LEU 14 -0.035 -9.156 -4.466 102 1HB LEU 14 1HB LEU 14 -1.643 -6.791 -5.369 103 2HB LEU 14 2HB LEU 14 -0.002 -6.573 -4.793 104 HG LEU 14 HG LEU 14 -0.987 -7.940 -7.268 105 1HD1 LEU 14 1HD1 LEU 14 -0.034 -5.514 -6.988 106 2HD1 LEU 14 2HD1 LEU 14 1.539 -6.347 -7.015 107 3HD1 LEU 14 3HD1 LEU 14 0.421 -6.511 -8.391 108 1HD2 LEU 14 1HD2 LEU 14 1.433 -8.840 -7.481 109 2HD2 LEU 14 2HD2 LEU 14 1.460 -8.723 -5.705 110 3HD2 LEU 14 3HD2 LEU 14 0.251 -9.751 -6.511 111 H ILE 15 H ILE 15 -2.893 -7.786 -2.834 112 HA ILE 15 HA ILE 15 -1.473 -6.552 -0.741 113 HB ILE 15 HB ILE 15 -4.291 -7.347 -1.286 114 1HG1 ILE 15 1HG1 ILE 15 -4.604 -4.895 -0.740 115 2HG1 ILE 15 2HG1 ILE 15 -2.860 -4.761 -0.623 116 1HG2 ILE 15 1HG2 ILE 15 -3.369 -6.383 1.434 117 2HG2 ILE 15 2HG2 ILE 15 -5.041 -6.699 0.913 118 3HG2 ILE 15 3HG2 ILE 15 -3.885 -8.044 1.058 119 1HD1 ILE 15 1HD1 ILE 15 -4.435 -5.672 -3.075 120 2HD1 ILE 15 2HD1 ILE 15 -3.566 -4.130 -2.882 121 3HD1 ILE 15 3HD1 ILE 15 -2.658 -5.659 -2.967 122 H LYS 16 H LYS 16 -2.974 -9.816 -1.144 123 HA LYS 16 HA LYS 16 -2.304 -10.663 1.460 124 1HB LYS 16 1HB LYS 16 -3.711 -11.669 -0.815 125 2HB LYS 16 2HB LYS 16 -2.534 -12.876 -0.338 126 1HG LYS 16 1HG LYS 16 -3.362 -12.572 2.078 127 2HG LYS 16 2HG LYS 16 -4.662 -11.592 1.431 128 1HD LYS 16 1HD LYS 16 -4.094 -14.469 0.573 129 2HD LYS 16 2HD LYS 16 -5.289 -14.019 1.774 130 1HE LYS 16 1HE LYS 16 -6.774 -13.216 0.202 131 2HE LYS 16 2HE LYS 16 -5.511 -12.526 -0.798 132 1HZ LYS 16 1HZ LYS 16 -5.800 -14.270 -2.091 133 2HZ LYS 16 2HZ LYS 16 -5.133 -15.216 -0.939 134 3HZ LYS 16 3HZ LYS 16 -6.755 -15.042 -1.014 135 H LEU 17 H LEU 17 -0.524 -10.338 -1.555 136 HA LEU 17 HA LEU 17 1.548 -12.153 -0.696 137 1HB LEU 17 1HB LEU 17 1.046 -10.455 -3.118 138 2HB LEU 17 2HB LEU 17 2.638 -11.124 -2.820 139 HG LEU 17 HG LEU 17 0.238 -12.934 -2.803 140 1HD1 LEU 17 1HD1 LEU 17 1.567 -11.727 -5.222 141 2HD1 LEU 17 2HD1 LEU 17 0.802 -13.333 -5.282 142 3HD1 LEU 17 3HD1 LEU 17 -0.166 -11.902 -4.856 143 1HD2 LEU 17 1HD2 LEU 17 1.739 -14.652 -3.146 144 2HD2 LEU 17 2HD2 LEU 17 2.963 -13.586 -3.878 145 3HD2 LEU 17 3HD2 LEU 17 2.682 -13.543 -2.121 146 H ARG 18 H ARG 18 1.050 -8.597 -1.128 147 HA ARG 18 HA ARG 18 3.642 -8.046 -0.151 148 1HB ARG 18 1HB ARG 18 2.900 -5.669 -0.249 149 2HB ARG 18 2HB ARG 18 2.490 -6.516 -1.727 150 1HG ARG 18 1HG ARG 18 0.309 -5.982 -1.434 151 2HG ARG 18 2HG ARG 18 0.283 -6.894 0.062 152 1HD ARG 18 1HD ARG 18 0.378 -5.005 1.358 153 2HD ARG 18 2HD ARG 18 1.613 -4.265 0.358 154 HE ARG 18 HE ARG 18 -1.164 -3.663 0.252 155 1HH1 ARG 18 2HH2 ARG 18 1.476 -4.363 -1.967 156 2HH1 ARG 18 1HH2 ARG 18 0.799 -3.438 -3.266 157 1HH2 ARG 18 2HH1 ARG 18 -2.058 -2.443 -1.462 158 2HH2 ARG 18 1HH1 ARG 18 -1.224 -2.339 -2.976 159 H LYS 19 H LYS 19 1.097 -9.374 1.410 160 HA LYS 19 HA LYS 19 0.757 -7.668 3.640 161 1HB LYS 19 1HB LYS 19 -0.666 -9.301 4.452 162 2HB LYS 19 2HB LYS 19 -0.767 -9.552 2.721 163 1HG LYS 19 1HG LYS 19 1.032 -11.336 2.933 164 2HG LYS 19 2HG LYS 19 0.965 -11.139 4.673 165 1HD LYS 19 1HD LYS 19 -1.473 -11.731 4.639 166 2HD LYS 19 2HD LYS 19 -1.390 -11.949 2.903 167 1HE LYS 19 1HE LYS 19 -1.146 -14.151 3.785 168 2HE LYS 19 2HE LYS 19 0.484 -13.680 3.346 169 1HZ LYS 19 1HZ LYS 19 -0.497 -14.343 5.863 170 2HZ LYS 19 2HZ LYS 19 1.041 -14.003 5.434 171 3HZ LYS 19 3HZ LYS 19 0.046 -12.804 5.924 172 H LYS 20 H LYS 20 3.128 -10.119 2.687 173 HA LYS 20 HA LYS 20 4.179 -10.292 5.374 174 1HB LYS 20 1HB LYS 20 4.694 -11.662 2.758 175 2HB LYS 20 2HB LYS 20 5.953 -11.678 3.977 176 1HG LYS 20 1HG LYS 20 4.083 -12.443 5.634 177 2HG LYS 20 2HG LYS 20 3.119 -12.762 4.206 178 1HD LYS 20 1HD LYS 20 5.933 -13.881 4.433 179 2HD LYS 20 2HD LYS 20 4.593 -14.697 5.213 180 1HE LYS 20 1HE LYS 20 4.565 -13.948 2.255 181 2HE LYS 20 2HE LYS 20 5.161 -15.491 2.834 182 1HZ LYS 20 1HZ LYS 20 2.694 -15.003 4.013 183 2HZ LYS 20 2HZ LYS 20 2.536 -14.744 2.408 184 3HZ LYS 20 3HZ LYS 20 3.091 -16.180 2.952 185 H LYS 21 H LYS 21 4.146 -7.864 3.218 186 HA LYS 21 HA LYS 21 6.894 -7.092 3.900 187 1HB LYS 21 1HB LYS 21 5.469 -6.616 1.265 188 2HB LYS 21 2HB LYS 21 7.012 -5.918 1.715 189 1HG LYS 21 1HG LYS 21 8.154 -7.915 1.469 190 2HG LYS 21 2HG LYS 21 6.812 -8.883 2.047 191 1HD LYS 21 1HD LYS 21 5.739 -7.926 -0.294 192 2HD LYS 21 2HD LYS 21 7.436 -7.967 -0.731 193 1HE LYS 21 1HE LYS 21 7.212 -10.411 0.495 194 2HE LYS 21 2HE LYS 21 5.579 -10.233 -0.113 195 1HZ LYS 21 1HZ LYS 21 7.073 -9.456 -2.194 196 2HZ LYS 21 2HZ LYS 21 7.999 -10.640 -1.555 197 3HZ LYS 21 3HZ LYS 21 6.459 -10.956 -1.998 198 H ILE 22 H ILE 22 4.974 -4.904 2.009 199 HA ILE 22 HA ILE 22 3.572 -3.721 4.177 200 HB ILE 22 HB ILE 22 6.293 -3.055 3.986 201 1HG1 ILE 22 1HG1 ILE 22 4.981 -3.091 6.031 202 2HG1 ILE 22 2HG1 ILE 22 5.762 -1.535 5.831 203 1HG2 ILE 22 1HG2 ILE 22 4.674 -0.605 3.303 204 2HG2 ILE 22 2HG2 ILE 22 6.441 -0.818 3.322 205 3HG2 ILE 22 3HG2 ILE 22 5.465 -1.589 2.048 206 1HD1 ILE 22 1HD1 ILE 22 3.372 -1.330 6.558 207 2HD1 ILE 22 2HD1 ILE 22 3.677 -0.533 4.995 208 3HD1 ILE 22 3HD1 ILE 22 2.870 -2.119 5.043 209 H GLU 23 H GLU 23 2.918 -1.300 3.309 210 HA GLU 23 HA GLU 23 2.572 -1.456 0.445 211 1HB GLU 23 1HB GLU 23 0.574 -2.583 1.302 212 2HB GLU 23 2HB GLU 23 0.266 -1.277 2.430 213 1HG GLU 23 1HG GLU 23 0.103 0.290 0.391 214 2HG GLU 23 2HG GLU 23 0.133 -1.145 -0.615 215 H GLY 24 H GLY 24 3.218 0.495 -0.348 216 1HA GLY 24 1HA GLY 24 3.189 2.808 1.445 217 2HA GLY 24 2HA GLY 24 4.063 2.641 -0.064 218 H ARG 25 H ARG 25 2.339 4.880 0.727 219 HA ARG 25 HA ARG 25 1.007 5.231 -1.637 220 1HB ARG 25 1HB ARG 25 -0.564 3.491 -0.596 221 2HB ARG 25 2HB ARG 25 -0.937 4.661 0.655 222 1HG ARG 25 1HG ARG 25 -2.520 5.539 -0.709 223 2HG ARG 25 2HG ARG 25 -1.242 6.089 -1.774 224 1HD ARG 25 1HD ARG 25 -2.129 4.705 -3.351 225 2HD ARG 25 2HD ARG 25 -1.455 3.375 -2.429 226 HE ARG 25 HE ARG 25 -3.623 2.784 -1.817 227 1HH1 ARG 25 2HH2 ARG 25 -3.590 6.209 -2.624 228 2HH1 ARG 25 1HH2 ARG 25 -5.299 6.405 -2.417 229 1HH2 ARG 25 2HH1 ARG 25 -5.877 3.042 -1.544 230 2HH2 ARG 25 1HH1 ARG 25 -6.608 4.592 -1.798 231 H LEU 26 H LEU 26 1.243 7.438 -1.793 232 HA LEU 26 HA LEU 26 2.004 9.143 0.101 233 1HB LEU 26 1HB LEU 26 2.010 10.205 -1.857 234 2HB LEU 26 2HB LEU 26 0.602 9.351 -2.454 235 HG LEU 26 HG LEU 26 -0.785 10.900 -0.945 236 1HD1 LEU 26 1HD1 LEU 26 1.928 12.155 -0.707 237 2HD1 LEU 26 2HD1 LEU 26 0.474 13.182 -0.717 238 3HD1 LEU 26 3HD1 LEU 26 0.664 11.921 0.525 239 1HD2 LEU 26 1HD2 LEU 26 -1.265 12.044 -2.802 240 2HD2 LEU 26 2HD2 LEU 26 0.389 12.685 -2.949 241 3HD2 LEU 26 3HD2 LEU 26 0.003 11.065 -3.577 242 H TYR 27 H TYR 27 1.208 10.212 1.874 243 HA TYR 27 HA TYR 27 -1.147 9.231 3.052 244 1HB TYR 27 1HB TYR 27 1.136 10.488 3.851 245 2HB TYR 27 2HB TYR 27 0.147 11.923 3.671 246 HD1 TYR 27 HD1 TYR 27 -0.918 8.561 4.909 247 HD2 TYR 27 HD2 TYR 27 -0.136 12.652 5.890 248 HE1 TYR 27 HE1 TYR 27 -1.880 8.195 7.233 249 HE2 TYR 27 HE2 TYR 27 -1.101 12.272 8.212 250 HH TYR 27 HH TYR 27 -1.306 9.814 9.695 251 H ASP 28 H ASP 28 -2.704 9.600 1.236 252 HA ASP 28 HA ASP 28 -3.302 12.227 0.477 253 1HB ASP 28 1HB ASP 28 -5.249 9.891 0.405 254 2HB ASP 28 2HB ASP 28 -5.174 11.256 -0.691 255 H GLU 29 H GLU 29 -6.182 12.300 0.695 256 HA GLU 29 HA GLU 29 -6.400 13.173 3.377 257 1HB GLU 29 1HB GLU 29 -8.346 13.038 1.044 258 2HB GLU 29 2HB GLU 29 -8.838 13.616 2.623 259 1HG GLU 29 1HG GLU 29 -6.401 14.969 2.071 260 2HG GLU 29 2HG GLU 29 -7.284 14.990 0.558 261 H LYS 30 H LYS 30 -7.970 10.570 1.389 262 HA LYS 30 HA LYS 30 -9.450 9.541 3.557 263 1HB LYS 30 1HB LYS 30 -10.002 7.738 2.059 264 2HB LYS 30 2HB LYS 30 -10.053 9.251 1.176 265 1HG LYS 30 1HG LYS 30 -7.441 8.570 0.741 266 2HG LYS 30 2HG LYS 30 -8.128 6.968 0.926 267 1HD LYS 30 1HD LYS 30 -9.848 8.633 -0.762 268 2HD LYS 30 2HD LYS 30 -8.212 8.609 -1.389 269 1HE LYS 30 1HE LYS 30 -8.291 6.359 -1.910 270 2HE LYS 30 2HE LYS 30 -9.253 5.954 -0.502 271 1HZ LYS 30 1HZ LYS 30 -10.136 6.342 -3.080 272 2HZ LYS 30 2HZ LYS 30 -11.040 6.021 -1.759 273 3HZ LYS 30 3HZ LYS 30 -10.761 7.568 -2.201 274 H ARG 31 H ARG 31 -6.177 8.958 2.243 275 HA ARG 31 HA ARG 31 -5.702 6.596 3.573 276 1HB ARG 31 1HB ARG 31 -4.046 8.769 2.338 277 2HB ARG 31 2HB ARG 31 -3.204 7.743 3.482 278 1HG ARG 31 1HG ARG 31 -4.846 6.680 1.136 279 2HG ARG 31 2HG ARG 31 -3.112 6.925 1.079 280 1HD ARG 31 1HD ARG 31 -2.663 5.132 2.506 281 2HD ARG 31 2HD ARG 31 -4.169 5.307 3.385 282 HE ARG 31 HE ARG 31 -4.503 4.477 0.582 283 1HH1 ARG 31 2HH2 ARG 31 -4.085 3.407 3.908 284 2HH1 ARG 31 1HH2 ARG 31 -4.758 1.836 3.621 285 1HH2 ARG 31 2HH1 ARG 31 -5.391 2.406 0.203 286 2HH2 ARG 31 1HH1 ARG 31 -5.506 1.263 1.500 287 H ARG 32 H ARG 32 -5.022 10.039 4.507 288 HA ARG 32 HA ARG 32 -3.835 9.397 6.925 289 1HB ARG 32 1HB ARG 32 -4.179 11.796 7.477 290 2HB ARG 32 2HB ARG 32 -3.619 11.619 5.826 291 1HG ARG 32 1HG ARG 32 -5.726 12.147 4.903 292 2HG ARG 32 2HG ARG 32 -6.598 11.670 6.346 293 1HD ARG 32 1HD ARG 32 -6.655 14.089 6.265 294 2HD ARG 32 2HD ARG 32 -5.552 13.656 7.556 295 HE ARG 32 HE ARG 32 -4.139 13.939 5.038 296 1HH1 ARG 32 2HH2 ARG 32 -5.564 15.783 7.674 297 2HH1 ARG 32 1HH2 ARG 32 -4.535 17.156 7.440 298 1HH2 ARG 32 2HH1 ARG 32 -2.780 15.750 4.729 299 2HH2 ARG 32 1HH1 ARG 32 -2.940 17.137 5.753 300 H GLN 33 H GLN 33 -7.180 9.502 5.857 301 HA GLN 33 HA GLN 33 -8.288 9.932 8.420 302 1HB GLN 33 1HB GLN 33 -9.231 9.565 5.679 303 2HB GLN 33 2HB GLN 33 -10.214 8.637 6.794 304 1HG GLN 33 1HG GLN 33 -9.998 10.989 8.195 305 2HG GLN 33 2HG GLN 33 -9.897 11.602 6.556 306 1HE2 GLN 33 1HE2 GLN 33 -11.802 9.691 8.809 307 2HE2 GLN 33 2HE2 GLN 33 -13.340 9.867 8.032 308 H ILE 34 H ILE 34 -7.199 7.132 6.526 309 HA ILE 34 HA ILE 34 -8.566 5.218 8.142 310 HB ILE 34 HB ILE 34 -6.401 5.048 6.055 311 1HG1 ILE 34 1HG1 ILE 34 -9.306 4.180 6.020 312 2HG1 ILE 34 2HG1 ILE 34 -8.696 5.668 5.324 313 1HG2 ILE 34 1HG2 ILE 34 -7.543 2.495 6.492 314 2HG2 ILE 34 2HG2 ILE 34 -5.858 3.012 6.738 315 3HG2 ILE 34 3HG2 ILE 34 -7.026 3.116 8.078 316 1HD1 ILE 34 1HD1 ILE 34 -7.676 4.594 3.549 317 2HD1 ILE 34 2HD1 ILE 34 -7.287 3.148 4.511 318 3HD1 ILE 34 3HD1 ILE 34 -8.938 3.387 3.890 319 H LYS 35 H LYS 35 -7.996 4.463 10.111 320 HA LYS 35 HA LYS 35 -5.216 4.948 10.933 321 1HB LYS 35 1HB LYS 35 -5.903 5.596 13.058 322 2HB LYS 35 2HB LYS 35 -7.068 6.377 12.009 323 1HG LYS 35 1HG LYS 35 -7.722 3.606 13.002 324 2HG LYS 35 2HG LYS 35 -7.827 4.926 14.150 325 1HD LYS 35 1HD LYS 35 -9.109 5.320 11.450 326 2HD LYS 35 2HD LYS 35 -9.905 4.238 12.576 327 1HE LYS 35 1HE LYS 35 -9.886 6.055 14.314 328 2HE LYS 35 2HE LYS 35 -9.127 7.136 13.162 329 1HZ LYS 35 1HZ LYS 35 -11.322 6.068 11.904 330 2HZ LYS 35 2HZ LYS 35 -11.830 6.477 13.402 331 3HZ LYS 35 3HZ LYS 35 -11.136 7.600 12.440 332 HA PRO 36 HA PRO 36 -5.001 0.749 11.911 333 1HB PRO 36 1HB PRO 36 -3.488 0.652 14.185 334 2HB PRO 36 2HB PRO 36 -2.805 0.894 12.589 335 1HG PRO 36 1HG PRO 36 -3.208 2.869 14.752 336 2HG PRO 36 2HG PRO 36 -2.167 2.977 13.347 337 1HD PRO 36 1HD PRO 36 -4.695 4.281 13.714 338 2HD PRO 36 2HD PRO 36 -3.709 4.295 12.265 339 H GLY 37 H GLY 37 -7.341 0.606 12.155 340 1HA GLY 37 1HA GLY 37 -8.037 -0.895 14.365 341 2HA GLY 37 2HA GLY 37 -8.427 0.762 14.782 342 H ASP 38 H ASP 38 -8.574 -1.068 11.641 343 HA ASP 38 HA ASP 38 -11.400 -1.085 11.715 344 1HB ASP 38 1HB ASP 38 -10.015 1.153 10.445 345 2HB ASP 38 2HB ASP 38 -10.897 0.239 9.238 346 H VAL 39 H VAL 39 -11.943 -1.468 8.973 347 HA VAL 39 HA VAL 39 -9.908 -3.341 8.030 348 HB VAL 39 HB VAL 39 -12.837 -3.933 8.478 349 1HG1 VAL 39 1HG1 VAL 39 -11.862 -4.700 6.223 350 2HG1 VAL 39 2HG1 VAL 39 -10.872 -5.827 7.181 351 3HG1 VAL 39 3HG1 VAL 39 -12.648 -5.927 7.245 352 1HG2 VAL 39 1HG2 VAL 39 -10.665 -5.759 9.382 353 2HG2 VAL 39 2HG2 VAL 39 -10.838 -4.217 10.254 354 3HG2 VAL 39 3HG2 VAL 39 -12.213 -5.342 10.155 355 H ILE 40 H ILE 40 -9.869 -3.592 5.737 356 HA ILE 40 HA ILE 40 -11.566 -1.639 4.342 357 HB ILE 40 HB ILE 40 -8.799 -2.410 3.462 358 1HG1 ILE 40 1HG1 ILE 40 -9.497 -0.091 5.288 359 2HG1 ILE 40 2HG1 ILE 40 -8.670 -1.552 5.790 360 1HG2 ILE 40 1HG2 ILE 40 -10.821 -0.998 2.230 361 2HG2 ILE 40 2HG2 ILE 40 -9.805 0.286 2.927 362 3HG2 ILE 40 3HG2 ILE 40 -9.089 -0.917 1.828 363 1HD1 ILE 40 1HD1 ILE 40 -7.260 0.571 5.110 364 2HD1 ILE 40 2HD1 ILE 40 -6.719 -1.040 4.579 365 3HD1 ILE 40 3HD1 ILE 40 -7.585 0.026 3.447 366 H SER 41 H SER 41 -12.317 -2.237 2.230 367 HA SER 41 HA SER 41 -12.000 -5.088 1.708 368 1HB SER 41 1HB SER 41 -14.232 -4.758 2.617 369 2HB SER 41 2HB SER 41 -14.528 -3.396 1.554 370 HG SER 41 HG SER 41 -15.162 -4.743 0.021 371 H PHE 42 H PHE 42 -11.989 -5.696 -0.563 372 HA PHE 42 HA PHE 42 -11.759 -3.401 -2.377 373 1HB PHE 42 1HB PHE 42 -10.113 -5.975 -2.056 374 2HB PHE 42 2HB PHE 42 -10.010 -4.998 -3.508 375 HD1 PHE 42 HD1 PHE 42 -8.563 -5.595 -0.393 376 HD2 PHE 42 HD2 PHE 42 -9.527 -2.416 -3.034 377 HE1 PHE 42 HE1 PHE 42 -6.815 -4.160 0.696 378 HE2 PHE 42 HE2 PHE 42 -7.779 -0.981 -1.945 379 HZ PHE 42 HZ PHE 42 -6.444 -1.870 -0.093 380 H GLU 43 H GLU 43 -12.794 -3.592 -4.357 381 HA GLU 43 HA GLU 43 -14.137 -4.368 -5.875 382 1HB GLU 43 1HB GLU 43 -12.923 -7.056 -5.107 383 2HB GLU 43 2HB GLU 43 -13.998 -6.845 -6.475 384 1HG GLU 43 1HG GLU 43 -11.309 -5.457 -6.062 385 2HG GLU 43 2HG GLU 43 -11.652 -6.725 -7.222 386 H GLY 44 H GLY 44 -14.841 -4.361 -2.848 387 1HA GLY 44 1HA GLY 44 -17.086 -4.412 -2.119 388 2HA GLY 44 2HA GLY 44 -17.405 -5.770 -3.180 389 H GLY 45 H GLY 45 -15.529 -7.656 -2.692 390 1HA GLY 45 1HA GLY 45 -14.961 -7.962 0.110 391 2HA GLY 45 2HA GLY 45 -16.300 -8.956 -0.429 392 H LYS 46 H LYS 46 -13.695 -8.045 -2.676 393 HA LYS 46 HA LYS 46 -13.154 -10.783 -3.203 394 1HB LYS 46 1HB LYS 46 -13.118 -8.987 -4.916 395 2HB LYS 46 2HB LYS 46 -11.712 -8.285 -4.142 396 1HG LYS 46 1HG LYS 46 -11.219 -9.836 -6.119 397 2HG LYS 46 2HG LYS 46 -10.339 -10.192 -4.646 398 1HD LYS 46 1HD LYS 46 -11.580 -12.131 -4.197 399 2HD LYS 46 2HD LYS 46 -12.998 -11.555 -5.050 400 1HE LYS 46 1HE LYS 46 -11.430 -11.699 -7.193 401 2HE LYS 46 2HE LYS 46 -10.467 -12.769 -6.194 402 1HZ LYS 46 1HZ LYS 46 -12.811 -13.359 -7.526 403 2HZ LYS 46 2HZ LYS 46 -11.921 -14.352 -6.583 404 3HZ LYS 46 3HZ LYS 46 -13.141 -13.482 -5.932 405 H LEU 47 H LEU 47 -11.443 -8.104 -1.491 406 HA LEU 47 HA LEU 47 -10.016 -10.107 0.027 407 1HB LEU 47 1HB LEU 47 -8.691 -9.609 -2.081 408 2HB LEU 47 2HB LEU 47 -8.459 -7.991 -1.450 409 HG LEU 47 HG LEU 47 -6.662 -9.880 -1.088 410 1HD1 LEU 47 1HD1 LEU 47 -6.723 -7.468 -0.248 411 2HD1 LEU 47 2HD1 LEU 47 -7.329 -8.139 1.285 412 3HD1 LEU 47 3HD1 LEU 47 -5.733 -8.630 0.668 413 1HD2 LEU 47 1HD2 LEU 47 -8.419 -11.365 0.018 414 2HD2 LEU 47 2HD2 LEU 47 -6.855 -11.193 0.850 415 3HD2 LEU 47 3HD2 LEU 47 -8.275 -10.291 1.430 416 H LYS 48 H LYS 48 -10.250 -9.524 2.112 417 HA LYS 48 HA LYS 48 -10.707 -6.680 2.640 418 1HB LYS 48 1HB LYS 48 -11.324 -9.030 4.447 419 2HB LYS 48 2HB LYS 48 -11.851 -7.370 4.637 420 1HG LYS 48 1HG LYS 48 -12.542 -8.881 2.100 421 2HG LYS 48 2HG LYS 48 -13.483 -9.152 3.554 422 1HD LYS 48 1HD LYS 48 -13.189 -6.314 3.303 423 2HD LYS 48 2HD LYS 48 -13.593 -6.909 1.706 424 1HE LYS 48 1HE LYS 48 -15.152 -7.517 4.264 425 2HE LYS 48 2HE LYS 48 -15.638 -6.373 3.029 426 1HZ LYS 48 1HZ LYS 48 -16.320 -8.012 1.715 427 2HZ LYS 48 2HZ LYS 48 -15.046 -8.984 2.030 428 3HZ LYS 48 3HZ LYS 48 -16.316 -8.944 3.056 429 H VAL 49 H VAL 49 -9.480 -5.562 4.199 430 HA VAL 49 HA VAL 49 -7.256 -7.054 5.368 431 HB VAL 49 HB VAL 49 -5.703 -5.276 4.716 432 1HG1 VAL 49 1HG1 VAL 49 -5.165 -6.513 2.937 433 2HG1 VAL 49 2HG1 VAL 49 -6.742 -7.324 3.091 434 3HG1 VAL 49 3HG1 VAL 49 -6.569 -5.909 2.025 435 1HG2 VAL 49 1HG2 VAL 49 -7.966 -4.221 2.987 436 2HG2 VAL 49 2HG2 VAL 49 -7.356 -3.451 4.471 437 3HG2 VAL 49 3HG2 VAL 49 -6.298 -3.603 3.047 438 H ARG 50 H ARG 50 -6.086 -5.538 7.031 439 HA ARG 50 HA ARG 50 -7.953 -3.637 8.131 440 1HB ARG 50 1HB ARG 50 -8.634 -5.467 9.465 441 2HB ARG 50 2HB ARG 50 -7.039 -6.192 9.471 442 1HG ARG 50 1HG ARG 50 -6.256 -4.815 11.188 443 2HG ARG 50 2HG ARG 50 -7.309 -3.484 10.753 444 1HD ARG 50 1HD ARG 50 -8.401 -4.211 12.676 445 2HD ARG 50 2HD ARG 50 -9.242 -5.190 11.491 446 HE ARG 50 HE ARG 50 -8.285 -7.084 12.455 447 1HH1 ARG 50 2HH2 ARG 50 -6.283 -4.298 13.238 448 2HH1 ARG 50 1HH2 ARG 50 -5.211 -5.195 14.261 449 1HH2 ARG 50 2HH1 ARG 50 -6.871 -8.268 13.804 450 2HH2 ARG 50 1HH1 ARG 50 -5.548 -7.469 14.585 451 H VAL 51 H VAL 51 -6.833 -1.810 8.780 452 HA VAL 51 HA VAL 51 -4.074 -1.641 8.434 453 HB VAL 51 HB VAL 51 -5.955 0.128 10.010 454 1HG1 VAL 51 1HG1 VAL 51 -3.260 0.771 8.762 455 2HG1 VAL 51 2HG1 VAL 51 -4.326 1.907 9.623 456 3HG1 VAL 51 3HG1 VAL 51 -3.572 0.555 10.501 457 1HG2 VAL 51 1HG2 VAL 51 -5.217 1.133 7.403 458 2HG2 VAL 51 2HG2 VAL 51 -5.947 -0.484 7.255 459 3HG2 VAL 51 3HG2 VAL 51 -6.833 0.821 8.080 460 H LYS 52 H LYS 52 -2.321 -1.613 9.889 461 HA LYS 52 HA LYS 52 -2.979 -2.726 12.527 462 1HB LYS 52 1HB LYS 52 -1.157 -3.611 10.453 463 2HB LYS 52 2HB LYS 52 -0.283 -3.277 11.934 464 1HG LYS 52 1HG LYS 52 -2.766 -4.651 12.578 465 2HG LYS 52 2HG LYS 52 -1.912 -5.553 11.341 466 1HD LYS 52 1HD LYS 52 -0.736 -6.431 13.096 467 2HD LYS 52 2HD LYS 52 0.177 -4.938 13.019 468 1HE LYS 52 1HE LYS 52 -1.547 -3.928 14.641 469 2HE LYS 52 2HE LYS 52 -2.197 -5.544 14.838 470 1HZ LYS 52 1HZ LYS 52 0.639 -5.403 15.125 471 2HZ LYS 52 2HZ LYS 52 -0.171 -4.536 16.247 472 3HZ LYS 52 3HZ LYS 52 -0.469 -6.133 16.077 473 H ALA 53 H ALA 53 -0.917 -0.460 10.637 474 HA ALA 53 HA ALA 53 -0.905 1.373 12.808 475 1HB ALA 53 1HB ALA 53 1.451 -0.426 12.337 476 2HB ALA 53 2HB ALA 53 1.763 1.280 12.738 477 3HB ALA 53 3HB ALA 53 0.826 0.259 13.856 478 H ILE 54 H ILE 54 0.351 3.390 12.177 479 HA ILE 54 HA ILE 54 0.534 3.548 9.249 480 HB ILE 54 HB ILE 54 -1.493 4.619 10.377 481 1HG1 ILE 54 1HG1 ILE 54 -0.374 6.851 8.931 482 2HG1 ILE 54 2HG1 ILE 54 0.100 5.353 8.155 483 1HG2 ILE 54 1HG2 ILE 54 -0.130 5.596 12.261 484 2HG2 ILE 54 2HG2 ILE 54 0.498 6.781 11.091 485 3HG2 ILE 54 3HG2 ILE 54 -1.245 6.722 11.451 486 1HD1 ILE 54 1HD1 ILE 54 -2.732 6.265 8.820 487 2HD1 ILE 54 2HD1 ILE 54 -2.028 5.995 7.207 488 3HD1 ILE 54 3HD1 ILE 54 -2.343 4.612 8.283 489 H ARG 55 H ARG 55 2.194 4.918 8.395 490 HA ARG 55 HA ARG 55 3.984 6.069 10.317 491 1HB ARG 55 1HB ARG 55 4.529 3.528 8.944 492 2HB ARG 55 2HB ARG 55 5.741 4.726 8.535 493 1HG ARG 55 1HG ARG 55 4.915 4.328 11.429 494 2HG ARG 55 2HG ARG 55 6.070 3.237 10.689 495 1HD ARG 55 1HD ARG 55 7.745 4.778 10.812 496 2HD ARG 55 2HD ARG 55 6.753 6.022 10.078 497 HE ARG 55 HE ARG 55 5.873 5.579 12.781 498 1HH1 ARG 55 2HH2 ARG 55 8.531 7.005 10.969 499 2HH1 ARG 55 1HH2 ARG 55 8.934 8.144 12.209 500 1HH2 ARG 55 2HH1 ARG 55 6.404 7.082 14.418 501 2HH2 ARG 55 1HH1 ARG 55 7.716 8.189 14.184 502 H VAL 56 H VAL 56 5.391 7.697 9.342 503 HA VAL 56 HA VAL 56 4.753 8.243 6.526 504 HB VAL 56 HB VAL 56 5.303 10.408 8.527 505 1HG1 VAL 56 1HG1 VAL 56 3.320 10.796 6.382 506 2HG1 VAL 56 2HG1 VAL 56 4.694 11.814 6.877 507 3HG1 VAL 56 3HG1 VAL 56 4.961 10.420 5.804 508 1HG2 VAL 56 1HG2 VAL 56 3.479 9.819 9.700 509 2HG2 VAL 56 2HG2 VAL 56 2.555 10.413 8.300 510 3HG2 VAL 56 3HG2 VAL 56 2.928 8.679 8.450 511 H TYR 57 H TYR 57 6.470 9.088 5.245 512 HA TYR 57 HA TYR 57 9.089 9.090 6.573 513 1HB TYR 57 1HB TYR 57 8.022 7.685 4.063 514 2HB TYR 57 2HB TYR 57 9.735 8.026 4.207 515 HD1 TYR 57 HD1 TYR 57 11.160 6.681 5.580 516 HD2 TYR 57 HD2 TYR 57 6.919 6.139 5.718 517 HE1 TYR 57 HE1 TYR 57 11.471 4.529 6.898 518 HE2 TYR 57 HE2 TYR 57 7.244 3.989 7.036 519 HH TYR 57 HH TYR 57 8.661 2.721 8.086 520 H ASN 58 H ASN 58 10.774 9.849 4.667 521 HA ASN 58 HA ASN 58 9.943 12.496 4.161 522 1HB ASN 58 1HB ASN 58 12.336 11.656 4.682 523 2HB ASN 58 2HB ASN 58 12.404 11.070 3.032 524 1HD2 ASN 58 1HD2 ASN 58 12.804 12.421 1.396 525 2HD2 ASN 58 2HD2 ASN 58 13.045 14.130 1.531 526 H SER 59 H SER 59 10.704 9.541 2.194 527 HA SER 59 HA SER 59 8.884 10.413 0.193 528 1HB SER 59 1HB SER 59 11.386 11.400 -0.185 529 2HB SER 59 2HB SER 59 11.601 9.832 -0.937 530 HG SER 59 HG SER 59 10.652 10.681 -2.650 531 H PHE 60 H PHE 60 8.910 8.671 -1.698 532 HA PHE 60 HA PHE 60 8.494 6.191 -0.537 533 1HB PHE 60 1HB PHE 60 8.619 7.508 -3.204 534 2HB PHE 60 2HB PHE 60 9.086 5.821 -3.294 535 HD1 PHE 60 HD1 PHE 60 7.418 4.234 -1.849 536 HD2 PHE 60 HD2 PHE 60 6.402 7.965 -3.597 537 HE1 PHE 60 HE1 PHE 60 4.999 3.565 -1.870 538 HE2 PHE 60 HE2 PHE 60 3.983 7.296 -3.618 539 HZ PHE 60 HZ PHE 60 3.310 5.104 -2.754 540 H ARG 61 H ARG 61 11.383 7.616 -2.112 541 HA ARG 61 HA ARG 61 12.781 5.318 -2.541 542 1HB ARG 61 1HB ARG 61 13.306 7.888 -3.031 543 2HB ARG 61 2HB ARG 61 14.183 7.807 -1.516 544 1HG ARG 61 1HG ARG 61 15.012 5.486 -2.866 545 2HG ARG 61 2HG ARG 61 14.886 6.673 -4.148 546 1HD ARG 61 1HD ARG 61 16.191 7.702 -1.678 547 2HD ARG 61 2HD ARG 61 17.066 6.397 -2.452 548 HE ARG 61 HE ARG 61 16.735 9.100 -3.473 549 1HH1 ARG 61 2HH2 ARG 61 17.184 5.749 -4.451 550 2HH1 ARG 61 1HH2 ARG 61 17.904 6.156 -5.973 551 1HH2 ARG 61 2HH1 ARG 61 17.685 9.637 -5.481 552 2HH2 ARG 61 1HH1 ARG 61 18.191 8.382 -6.563 553 H GLU 62 H GLU 62 12.527 7.377 0.422 554 HA GLU 62 HA GLU 62 14.436 5.976 1.881 555 1HB GLU 62 1HB GLU 62 12.337 8.011 2.409 556 2HB GLU 62 2HB GLU 62 12.728 7.011 3.795 557 1HG GLU 62 1HG GLU 62 15.185 7.518 3.396 558 2HG GLU 62 2HG GLU 62 14.710 8.621 2.119 559 H MET 63 H MET 63 10.965 5.455 1.255 560 HA MET 63 HA MET 63 10.678 3.551 3.329 561 1HB MET 63 1HB MET 63 9.056 4.807 1.190 562 2HB MET 63 2HB MET 63 8.653 3.114 1.396 563 1HG MET 63 1HG MET 63 8.273 3.474 3.828 564 2HG MET 63 2HG MET 63 8.751 5.152 3.674 565 1HE MET 63 1HE MET 63 6.740 2.536 1.835 566 2HE MET 63 2HE MET 63 5.192 3.316 1.430 567 3HE MET 63 3HE MET 63 6.668 3.745 0.531 568 H LEU 64 H LEU 64 11.096 3.411 -0.267 569 HA LEU 64 HA LEU 64 11.002 0.582 -0.351 570 1HB LEU 64 1HB LEU 64 12.175 2.507 -2.361 571 2HB LEU 64 2HB LEU 64 11.696 0.846 -2.648 572 HG LEU 64 HG LEU 64 9.738 2.982 -1.780 573 1HD1 LEU 64 1HD1 LEU 64 10.994 2.560 -4.393 574 2HD1 LEU 64 2HD1 LEU 64 9.215 2.523 -4.442 575 3HD1 LEU 64 3HD1 LEU 64 10.057 3.941 -3.772 576 1HD2 LEU 64 1HD2 LEU 64 9.311 0.410 -1.573 577 2HD2 LEU 64 2HD2 LEU 64 8.049 1.481 -2.229 578 3HD2 LEU 64 3HD2 LEU 64 9.052 0.508 -3.332 579 H GLU 65 H GLU 65 13.515 3.016 0.250 580 HA GLU 65 HA GLU 65 15.634 1.187 -0.180 581 1HB GLU 65 1HB GLU 65 15.446 3.960 1.045 582 2HB GLU 65 2HB GLU 65 16.954 3.067 1.044 583 1HG GLU 65 1HG GLU 65 15.681 2.999 -1.604 584 2HG GLU 65 2HG GLU 65 15.924 4.648 -1.062 585 H LYS 66 H LYS 66 13.997 2.624 2.719 586 HA LYS 66 HA LYS 66 15.555 0.977 4.486 587 1HB LYS 66 1HB LYS 66 14.435 3.414 4.765 588 2HB LYS 66 2HB LYS 66 13.148 2.441 5.449 589 1HG LYS 66 1HG LYS 66 14.938 1.283 6.890 590 2HG LYS 66 2HG LYS 66 16.069 2.498 6.328 591 1HD LYS 66 1HD LYS 66 13.438 3.117 7.754 592 2HD LYS 66 2HD LYS 66 15.004 3.074 8.539 593 1HE LYS 66 1HE LYS 66 15.040 4.769 6.128 594 2HE LYS 66 2HE LYS 66 13.831 5.303 7.279 595 1HZ LYS 66 1HZ LYS 66 15.407 5.992 8.644 596 2HZ LYS 66 2HZ LYS 66 16.276 4.614 8.535 597 3HZ LYS 66 3HZ LYS 66 16.477 5.796 7.426 598 H GLU 67 H GLU 67 11.982 1.331 3.891 599 HA GLU 67 HA GLU 67 11.343 -1.019 5.171 600 1HB GLU 67 1HB GLU 67 9.916 1.034 4.135 601 2HB GLU 67 2HB GLU 67 9.653 -0.132 2.853 602 1HG GLU 67 1HG GLU 67 7.880 -0.282 4.591 603 2HG GLU 67 2HG GLU 67 8.779 -1.781 4.466 604 H GLY 68 H GLY 68 11.860 -0.345 1.642 605 1HA GLY 68 1HA GLY 68 13.226 -2.123 0.554 606 2HA GLY 68 2HA GLY 68 12.082 -3.267 1.227 607 H LEU 69 H LEU 69 12.888 -1.911 -1.615 608 HA LEU 69 HA LEU 69 10.565 -0.776 -2.621 609 1HB LEU 69 1HB LEU 69 12.516 -0.458 -3.835 610 2HB LEU 69 2HB LEU 69 12.940 -2.158 -3.814 611 HG LEU 69 HG LEU 69 10.938 -2.564 -5.329 612 1HD1 LEU 69 1HD1 LEU 69 9.502 -0.888 -5.595 613 2HD1 LEU 69 2HD1 LEU 69 10.630 0.290 -4.882 614 3HD1 LEU 69 3HD1 LEU 69 10.731 -0.102 -6.615 615 1HD2 LEU 69 1HD2 LEU 69 12.190 -1.496 -7.348 616 2HD2 LEU 69 2HD2 LEU 69 13.412 -1.060 -6.129 617 3HD2 LEU 69 3HD2 LEU 69 12.982 -2.768 -6.388 618 H GLU 70 H GLU 70 11.747 -4.199 -2.986 619 HA GLU 70 HA GLU 70 9.320 -5.032 -4.091 620 1HB GLU 70 1HB GLU 70 11.875 -6.254 -3.239 621 2HB GLU 70 2HB GLU 70 10.504 -7.329 -3.049 622 1HG GLU 70 1HG GLU 70 9.838 -6.856 -5.436 623 2HG GLU 70 2HG GLU 70 11.263 -5.852 -5.614 624 H ASN 71 H ASN 71 10.256 -4.249 -0.867 625 HA ASN 71 HA ASN 71 8.366 -6.070 0.307 626 1HB ASN 71 1HB ASN 71 10.228 -3.937 1.469 627 2HB ASN 71 2HB ASN 71 9.119 -4.860 2.464 628 1HD2 ASN 71 1HD2 ASN 71 10.784 -6.032 -0.411 629 2HD2 ASN 71 2HD2 ASN 71 11.798 -7.204 0.364 630 H VAL 72 H VAL 72 7.885 -3.512 -1.539 631 HA VAL 72 HA VAL 72 5.728 -2.462 0.127 632 HB VAL 72 HB VAL 72 7.782 -0.820 -1.365 633 1HG1 VAL 72 1HG1 VAL 72 5.003 -0.244 -0.700 634 2HG1 VAL 72 2HG1 VAL 72 6.121 0.912 0.063 635 3HG1 VAL 72 3HG1 VAL 72 6.152 0.675 -1.701 636 1HG2 VAL 72 1HG2 VAL 72 8.774 -0.428 0.604 637 2HG2 VAL 72 2HG2 VAL 72 7.220 -0.120 1.415 638 3HG2 VAL 72 3HG2 VAL 72 7.820 -1.787 1.244 639 H LEU 73 H LEU 73 7.310 -2.524 -3.137 640 HA LEU 73 HA LEU 73 4.609 -2.819 -4.250 641 1HB LEU 73 1HB LEU 73 5.674 -0.552 -4.586 642 2HB LEU 73 2HB LEU 73 6.885 -1.347 -5.573 643 HG LEU 73 HG LEU 73 4.636 -2.267 -6.778 644 1HD1 LEU 73 1HD1 LEU 73 3.209 -0.122 -7.036 645 2HD1 LEU 73 2HD1 LEU 73 2.969 -1.155 -5.606 646 3HD1 LEU 73 3HD1 LEU 73 3.917 0.345 -5.471 647 1HD2 LEU 73 1HD2 LEU 73 5.096 0.167 -8.063 648 2HD2 LEU 73 2HD2 LEU 73 6.645 -0.237 -7.286 649 3HD2 LEU 73 3HD2 LEU 73 5.880 -1.395 -8.400 650 HA PRO 74 HA PRO 74 6.783 -6.471 -5.478 651 1HB PRO 74 1HB PRO 74 4.582 -8.079 -5.679 652 2HB PRO 74 2HB PRO 74 5.498 -7.890 -4.198 653 1HG PRO 74 1HG PRO 74 2.863 -6.753 -4.904 654 2HG PRO 74 2HG PRO 74 3.591 -6.935 -3.321 655 1HD PRO 74 1HD PRO 74 3.379 -4.514 -4.844 656 2HD PRO 74 2HD PRO 74 4.209 -4.721 -3.314 657 H GLY 75 H GLY 75 7.623 -6.644 -7.448 658 1HA GLY 75 1HA GLY 75 7.091 -7.391 -9.689 659 2HA GLY 75 2HA GLY 75 5.670 -6.366 -9.652 660 H VAL 76 H VAL 76 7.190 -4.180 -8.152 661 HA VAL 76 HA VAL 76 7.743 -2.474 -10.123 662 HB VAL 76 HB VAL 76 7.724 -1.939 -7.748 663 1HG1 VAL 76 1HG1 VAL 76 9.152 -2.753 -6.197 664 2HG1 VAL 76 2HG1 VAL 76 9.434 -4.034 -7.400 665 3HG1 VAL 76 3HG1 VAL 76 10.557 -2.657 -7.285 666 1HG2 VAL 76 1HG2 VAL 76 10.434 -1.057 -8.720 667 2HG2 VAL 76 2HG2 VAL 76 8.961 -0.546 -9.579 668 3HG2 VAL 76 3HG2 VAL 76 9.179 -0.130 -7.862 669 H LYS 77 H LYS 77 9.591 -1.779 -11.345 670 HA LYS 77 HA LYS 77 11.273 -4.003 -12.076 671 1HB LYS 77 1HB LYS 77 10.759 -1.251 -13.199 672 2HB LYS 77 2HB LYS 77 12.108 -2.218 -13.763 673 1HG LYS 77 1HG LYS 77 10.149 -4.109 -13.888 674 2HG LYS 77 2HG LYS 77 9.162 -2.678 -14.109 675 1HD LYS 77 1HD LYS 77 10.645 -1.944 -15.988 676 2HD LYS 77 2HD LYS 77 11.632 -3.375 -15.767 677 1HE LYS 77 1HE LYS 77 9.624 -4.815 -16.240 678 2HE LYS 77 2HE LYS 77 8.664 -3.373 -16.500 679 1HZ LYS 77 1HZ LYS 77 9.783 -2.895 -18.413 680 2HZ LYS 77 2HZ LYS 77 11.133 -3.717 -18.002 681 3HZ LYS 77 3HZ LYS 77 9.795 -4.527 -18.472 682 H SER 78 H SER 78 11.496 -0.852 -10.389 683 HA SER 78 HA SER 78 13.780 -1.703 -9.029 684 1HB SER 78 1HB SER 78 14.810 -1.154 -11.273 685 2HB SER 78 2HB SER 78 14.268 0.501 -11.081 686 HG SER 78 HG SER 78 16.556 -0.509 -10.216 687 H ILE 79 H ILE 79 14.763 0.372 -7.786 688 HA ILE 79 HA ILE 79 12.652 1.493 -6.370 689 HB ILE 79 HB ILE 79 15.558 2.278 -6.589 690 1HG1 ILE 79 1HG1 ILE 79 14.032 0.505 -4.665 691 2HG1 ILE 79 2HG1 ILE 79 15.295 0.026 -5.782 692 1HG2 ILE 79 1HG2 ILE 79 14.101 3.009 -4.143 693 2HG2 ILE 79 2HG2 ILE 79 15.299 3.923 -5.091 694 3HG2 ILE 79 3HG2 ILE 79 13.592 3.902 -5.596 695 1HD1 ILE 79 1HD1 ILE 79 15.626 1.904 -3.398 696 2HD1 ILE 79 2HD1 ILE 79 16.236 0.237 -3.526 697 3HD1 ILE 79 3HD1 ILE 79 16.913 1.515 -4.564 698 H GLU 80 H GLU 80 14.537 2.659 -9.190 699 HA GLU 80 HA GLU 80 13.531 5.256 -9.104 700 1HB GLU 80 1HB GLU 80 15.176 3.613 -10.883 701 2HB GLU 80 2HB GLU 80 14.108 4.653 -11.805 702 1HG GLU 80 1HG GLU 80 15.195 6.189 -9.603 703 2HG GLU 80 2HG GLU 80 16.519 5.375 -10.414 704 H GLU 81 H GLU 81 12.472 2.255 -10.815 705 HA GLU 81 HA GLU 81 10.457 3.477 -12.274 706 1HB GLU 81 1HB GLU 81 11.240 0.701 -11.533 707 2HB GLU 81 2HB GLU 81 9.546 0.899 -11.939 708 1HG GLU 81 1HG GLU 81 11.275 2.354 -13.822 709 2HG GLU 81 2HG GLU 81 11.695 0.653 -13.754 710 H GLY 82 H GLY 82 10.568 2.096 -8.963 711 1HA GLY 82 1HA GLY 82 7.886 1.938 -8.360 712 2HA GLY 82 2HA GLY 82 9.163 2.315 -7.221 713 H ILE 83 H ILE 83 10.097 4.810 -8.210 714 HA ILE 83 HA ILE 83 8.188 6.529 -7.093 715 HB ILE 83 HB ILE 83 10.790 6.848 -8.532 716 1HG1 ILE 83 1HG1 ILE 83 10.526 8.206 -6.004 717 2HG1 ILE 83 2HG1 ILE 83 9.951 6.559 -5.838 718 1HG2 ILE 83 1HG2 ILE 83 8.941 9.120 -7.755 719 2HG2 ILE 83 2HG2 ILE 83 10.656 9.295 -8.199 720 3HG2 ILE 83 3HG2 ILE 83 9.484 8.691 -9.395 721 1HD1 ILE 83 1HD1 ILE 83 12.184 6.107 -5.543 722 2HD1 ILE 83 2HD1 ILE 83 12.200 6.103 -7.323 723 3HD1 ILE 83 3HD1 ILE 83 12.699 7.561 -6.432 724 H GLN 84 H GLN 84 8.877 5.458 -10.420 725 HA GLN 84 HA GLN 84 7.393 7.488 -11.650 726 1HB GLN 84 1HB GLN 84 8.571 4.851 -12.461 727 2HB GLN 84 2HB GLN 84 7.317 5.505 -13.496 728 1HG GLN 84 1HG GLN 84 9.871 6.956 -12.656 729 2HG GLN 84 2HG GLN 84 9.564 6.259 -14.234 730 1HE2 GLN 84 1HE2 GLN 84 10.031 9.048 -13.155 731 2HE2 GLN 84 2HE2 GLN 84 8.775 10.025 -13.840 732 H VAL 85 H VAL 85 6.609 4.230 -10.364 733 HA VAL 85 HA VAL 85 4.041 4.063 -11.484 734 HB VAL 85 HB VAL 85 5.500 2.764 -9.207 735 1HG1 VAL 85 1HG1 VAL 85 3.192 2.978 -8.419 736 2HG1 VAL 85 2HG1 VAL 85 2.593 2.268 -9.937 737 3HG1 VAL 85 3HG1 VAL 85 3.569 1.285 -8.819 738 1HG2 VAL 85 1HG2 VAL 85 4.532 0.818 -10.909 739 2HG2 VAL 85 2HG2 VAL 85 4.870 2.172 -12.014 740 3HG2 VAL 85 3HG2 VAL 85 6.161 1.535 -10.967 741 H TYR 86 H TYR 86 5.334 5.464 -8.431 742 HA TYR 86 HA TYR 86 2.780 6.025 -7.344 743 1HB TYR 86 1HB TYR 86 5.490 7.423 -6.930 744 2HB TYR 86 2HB TYR 86 4.200 7.306 -5.749 745 HD1 TYR 86 HD1 TYR 86 3.656 4.264 -6.464 746 HD2 TYR 86 HD2 TYR 86 7.145 6.498 -5.397 747 HE1 TYR 86 HE1 TYR 86 4.721 2.160 -5.515 748 HE2 TYR 86 HE2 TYR 86 8.199 4.387 -4.451 749 HH TYR 86 HH TYR 86 6.438 1.297 -4.542 750 H ARG 87 H ARG 87 5.025 7.741 -9.532 751 HA ARG 87 HA ARG 87 3.733 10.217 -9.222 752 1HB ARG 87 1HB ARG 87 6.135 9.469 -10.247 753 2HB ARG 87 2HB ARG 87 5.240 9.566 -11.751 754 1HG ARG 87 1HG ARG 87 4.478 11.904 -10.381 755 2HG ARG 87 2HG ARG 87 6.179 11.738 -9.993 756 1HD ARG 87 1HD ARG 87 5.758 11.159 -12.823 757 2HD ARG 87 2HD ARG 87 5.046 12.710 -12.426 758 HE ARG 87 HE ARG 87 7.594 12.648 -11.186 759 1HH1 ARG 87 2HH2 ARG 87 6.265 12.594 -14.444 760 2HH1 ARG 87 1HH2 ARG 87 7.651 13.350 -15.158 761 1HH2 ARG 87 2HH1 ARG 87 9.421 13.645 -12.128 762 2HH2 ARG 87 1HH1 ARG 87 9.458 13.951 -13.832 763 H ARG 88 H ARG 88 3.393 7.380 -11.370 764 HA ARG 88 HA ARG 88 1.899 8.583 -13.346 765 1HB ARG 88 1HB ARG 88 2.250 5.763 -12.324 766 2HB ARG 88 2HB ARG 88 0.931 6.057 -13.440 767 1HG ARG 88 1HG ARG 88 2.815 7.339 -14.843 768 2HG ARG 88 2HG ARG 88 3.906 6.340 -13.903 769 1HD ARG 88 1HD ARG 88 1.682 4.727 -14.911 770 2HD ARG 88 2HD ARG 88 2.457 5.579 -16.232 771 HE ARG 88 HE ARG 88 3.618 3.433 -14.627 772 1HH1 ARG 88 2HH2 ARG 88 4.369 6.235 -16.618 773 2HH1 ARG 88 1HH2 ARG 88 5.959 5.680 -17.024 774 1HH2 ARG 88 2HH1 ARG 88 5.715 2.700 -15.163 775 2HH2 ARG 88 1HH1 ARG 88 6.730 3.656 -16.191 776 H PHE 89 H PHE 89 0.949 6.941 -10.262 777 HA PHE 89 HA PHE 89 -1.838 7.537 -10.774 778 1HB PHE 89 1HB PHE 89 -0.256 6.219 -8.486 779 2HB PHE 89 2HB PHE 89 -2.006 6.310 -8.510 780 HD1 PHE 89 HD1 PHE 89 -2.970 5.459 -10.950 781 HD2 PHE 89 HD2 PHE 89 0.598 4.166 -9.051 782 HE1 PHE 89 HE1 PHE 89 -3.064 3.308 -12.239 783 HE2 PHE 89 HE2 PHE 89 0.504 2.014 -10.340 784 HZ PHE 89 HZ PHE 89 -1.326 1.610 -11.918 785 H TYR 90 H TYR 90 0.650 8.220 -8.208 786 HA TYR 90 HA TYR 90 -1.064 10.324 -7.169 787 1HB TYR 90 1HB TYR 90 1.775 9.664 -6.287 788 2HB TYR 90 2HB TYR 90 0.412 10.108 -5.280 789 HD1 TYR 90 HD1 TYR 90 2.400 7.761 -4.923 790 HD2 TYR 90 HD2 TYR 90 -1.511 8.018 -6.638 791 HE1 TYR 90 HE1 TYR 90 1.995 5.309 -4.384 792 HE2 TYR 90 HE2 TYR 90 -1.903 5.566 -6.094 793 HH TYR 90 HH TYR 90 0.337 3.459 -5.559 794 H ASP 91 H ASP 91 -0.450 12.535 -7.028 795 HA ASP 91 HA ASP 91 1.054 13.393 -9.241 796 1HB ASP 91 1HB ASP 91 0.484 15.278 -6.976 797 2HB ASP 91 2HB ASP 91 0.269 15.520 -8.698 798 H GLU 92 H GLU 92 3.166 14.401 -9.235 799 HA GLU 92 HA GLU 92 4.884 13.490 -7.221 800 1HB GLU 92 1HB GLU 92 5.618 13.772 -9.553 801 2HB GLU 92 2HB GLU 92 5.315 15.496 -9.477 802 1HG GLU 92 1HG GLU 92 7.114 14.426 -7.342 803 2HG GLU 92 2HG GLU 92 7.757 14.341 -8.971 804 H GLU 93 H GLU 93 3.194 16.565 -7.874 805 HA GLU 93 HA GLU 93 4.717 18.106 -6.111 806 1HB GLU 93 1HB GLU 93 2.608 18.524 -7.932 807 2HB GLU 93 2HB GLU 93 1.929 18.983 -6.384 808 1HG GLU 93 1HG GLU 93 4.698 19.962 -7.118 809 2HG GLU 93 2HG GLU 93 3.302 20.746 -7.833 810 H LYS 94 H LYS 94 1.470 16.504 -5.769 811 HA LYS 94 HA LYS 94 1.056 17.239 -3.127 812 1HB LYS 94 1HB LYS 94 -0.174 15.553 -5.110 813 2HB LYS 94 2HB LYS 94 -0.139 14.702 -3.579 814 1HG LYS 94 1HG LYS 94 -0.857 17.357 -2.900 815 2HG LYS 94 2HG LYS 94 -1.749 17.022 -4.371 816 1HD LYS 94 1HD LYS 94 -1.768 14.790 -2.401 817 2HD LYS 94 2HD LYS 94 -2.544 16.254 -1.831 818 1HE LYS 94 1HE LYS 94 -3.306 15.673 -4.608 819 2HE LYS 94 2HE LYS 94 -3.659 14.312 -3.562 820 1HZ LYS 94 1HZ LYS 94 -4.580 16.205 -2.055 821 2HZ LYS 94 2HZ LYS 94 -4.732 16.999 -3.474 822 3HZ LYS 94 3HZ LYS 94 -5.490 15.570 -3.252 823 H GLU 95 H GLU 95 2.710 14.367 -4.561 824 HA GLU 95 HA GLU 95 3.125 13.032 -2.200 825 1HB GLU 95 1HB GLU 95 3.597 12.412 -4.740 826 2HB GLU 95 2HB GLU 95 5.210 13.002 -4.389 827 1HG GLU 95 1HG GLU 95 5.731 11.170 -3.130 828 2HG GLU 95 2HG GLU 95 4.208 11.220 -2.265 829 H LYS 96 H LYS 96 5.279 15.400 -3.919 830 HA LYS 96 HA LYS 96 7.271 15.344 -1.934 831 1HB LYS 96 1HB LYS 96 6.622 17.020 -4.320 832 2HB LYS 96 2HB LYS 96 7.729 17.688 -3.139 833 1HG LYS 96 1HG LYS 96 8.677 15.089 -3.378 834 2HG LYS 96 2HG LYS 96 8.109 15.406 -5.005 835 1HD LYS 96 1HD LYS 96 9.477 17.774 -4.192 836 2HD LYS 96 2HD LYS 96 10.481 16.440 -3.659 837 1HE LYS 96 1HE LYS 96 10.149 15.455 -6.049 838 2HE LYS 96 2HE LYS 96 9.522 17.032 -6.488 839 1HZ LYS 96 1HZ LYS 96 11.582 18.005 -5.770 840 2HZ LYS 96 2HZ LYS 96 12.166 16.556 -5.295 841 3HZ LYS 96 3HZ LYS 96 11.886 16.844 -6.878 842 H LYS 97 H LYS 97 4.080 16.632 -1.984 843 HA LYS 97 HA LYS 97 4.601 18.867 -0.287 844 1HB LYS 97 1HB LYS 97 2.475 17.944 -1.882 845 2HB LYS 97 2HB LYS 97 1.864 17.906 -0.241 846 1HG LYS 97 1HG LYS 97 2.299 20.236 0.107 847 2HG LYS 97 2HG LYS 97 3.386 20.329 -1.265 848 1HD LYS 97 1HD LYS 97 1.500 21.256 -2.244 849 2HD LYS 97 2HD LYS 97 1.200 19.573 -2.627 850 1HE LYS 97 1HE LYS 97 -0.834 19.986 -1.635 851 2HE LYS 97 2HE LYS 97 0.048 19.660 -0.156 852 1HZ LYS 97 1HZ LYS 97 -1.183 21.750 -0.121 853 2HZ LYS 97 2HZ LYS 97 0.416 21.980 0.121 854 3HZ LYS 97 3HZ LYS 97 -0.251 22.338 -1.326 855 H TYR 98 H TYR 98 2.971 15.653 0.212 856 HA TYR 98 HA TYR 98 3.414 15.994 3.079 857 1HB TYR 98 1HB TYR 98 1.814 14.134 1.225 858 2HB TYR 98 2HB TYR 98 1.922 13.818 2.945 859 HD1 TYR 98 HD1 TYR 98 -0.183 15.093 0.568 860 HD2 TYR 98 HD2 TYR 98 1.460 16.176 4.366 861 HE1 TYR 98 HE1 TYR 98 -2.151 16.648 0.984 862 HE2 TYR 98 HE2 TYR 98 -0.513 17.728 4.769 863 HH TYR 98 HH TYR 98 -2.134 19.014 3.228 864 H GLY 99 H GLY 99 3.818 13.466 0.493 865 1HA GLY 99 1HA GLY 99 6.082 12.523 0.335 866 2HA GLY 99 2HA GLY 99 6.076 12.400 2.083 867 H VAL 100 H VAL 100 6.357 10.102 2.068 868 HA VAL 100 HA VAL 100 4.005 8.646 1.071 869 HB VAL 100 HB VAL 100 6.673 7.371 1.548 870 1HG1 VAL 100 1HG1 VAL 100 4.706 5.961 1.096 871 2HG1 VAL 100 2HG1 VAL 100 4.439 6.825 -0.437 872 3HG1 VAL 100 3HG1 VAL 100 5.908 5.846 -0.211 873 1HG2 VAL 100 1HG2 VAL 100 7.485 9.030 0.154 874 2HG2 VAL 100 2HG2 VAL 100 6.985 7.795 -1.025 875 3HG2 VAL 100 3HG2 VAL 100 5.944 9.206 -0.718 876 H VAL 101 H VAL 101 3.332 6.770 2.394 877 HA VAL 101 HA VAL 101 4.278 6.906 5.154 878 HB VAL 101 HB VAL 101 1.849 6.718 5.851 879 1HG1 VAL 101 1HG1 VAL 101 3.151 9.199 4.763 880 2HG1 VAL 101 2HG1 VAL 101 1.494 9.283 5.405 881 3HG1 VAL 101 3HG1 VAL 101 2.825 8.730 6.449 882 1HG2 VAL 101 1HG2 VAL 101 0.973 8.200 3.453 883 2HG2 VAL 101 2HG2 VAL 101 1.340 6.480 3.173 884 3HG2 VAL 101 3HG2 VAL 101 0.138 6.946 4.401 885 H ALA 102 H ALA 102 5.145 4.906 5.418 886 HA ALA 102 HA ALA 102 4.077 2.677 3.960 887 1HB ALA 102 1HB ALA 102 6.138 1.850 4.331 888 2HB ALA 102 2HB ALA 102 6.538 3.406 5.098 889 3HB ALA 102 3HB ALA 102 5.966 2.045 6.092 890 H ILE 103 H ILE 103 2.005 2.141 4.626 891 HA ILE 103 HA ILE 103 1.617 1.807 7.507 892 HB ILE 103 HB ILE 103 -0.739 1.872 7.040 893 1HG1 ILE 103 1HG1 ILE 103 0.054 1.998 4.117 894 2HG1 ILE 103 2HG1 ILE 103 -0.810 0.700 4.918 895 1HG2 ILE 103 1HG2 ILE 103 0.134 4.169 5.384 896 2HG2 ILE 103 2HG2 ILE 103 -0.845 4.120 6.870 897 3HG2 ILE 103 3HG2 ILE 103 0.928 3.992 6.968 898 1HD1 ILE 103 1HD1 ILE 103 -1.888 3.542 4.942 899 2HD1 ILE 103 2HD1 ILE 103 -2.215 2.433 3.589 900 3HD1 ILE 103 3HD1 ILE 103 -2.769 2.023 5.231 901 H GLU 104 H GLU 104 1.315 -0.189 8.419 902 HA GLU 104 HA GLU 104 1.698 -2.404 6.609 903 1HB GLU 104 1HB GLU 104 2.943 -1.933 8.902 904 2HB GLU 104 2HB GLU 104 1.524 -2.672 9.616 905 1HG GLU 104 1HG GLU 104 1.936 -4.768 8.619 906 2HG GLU 104 2HG GLU 104 2.867 -4.081 7.304 907 H ILE 105 H ILE 105 -0.068 -3.436 5.791 908 HA ILE 105 HA ILE 105 -2.520 -3.342 7.393 909 HB ILE 105 HB ILE 105 -3.734 -3.580 5.392 910 1HG1 ILE 105 1HG1 ILE 105 -2.193 -5.308 4.394 911 2HG1 ILE 105 2HG1 ILE 105 -2.877 -4.155 3.266 912 1HG2 ILE 105 1HG2 ILE 105 -1.552 -1.559 5.427 913 2HG2 ILE 105 2HG2 ILE 105 -2.481 -1.732 3.919 914 3HG2 ILE 105 3HG2 ILE 105 -3.320 -1.351 5.442 915 1HD1 ILE 105 1HD1 ILE 105 -0.713 -3.886 2.577 916 2HD1 ILE 105 2HD1 ILE 105 -0.568 -2.839 4.010 917 3HD1 ILE 105 3HD1 ILE 105 -0.052 -4.541 4.095 918 H GLU 106 H GLU 106 -3.960 -5.397 6.991 919 HA GLU 106 HA GLU 106 -2.312 -7.752 6.746 920 1HB GLU 106 1HB GLU 106 -2.374 -7.054 9.202 921 2HB GLU 106 2HB GLU 106 -4.103 -7.342 9.178 922 1HG GLU 106 1HG GLU 106 -2.039 -9.452 8.393 923 2HG GLU 106 2HG GLU 106 -2.696 -9.301 10.011 924 HA PRO 107 HA PRO 107 -6.152 -8.495 4.670 925 1HB PRO 107 1HB PRO 107 -5.197 -10.345 2.900 926 2HB PRO 107 2HB PRO 107 -5.183 -8.621 2.586 927 1HG PRO 107 1HG PRO 107 -2.931 -10.389 3.323 928 2HG PRO 107 2HG PRO 107 -2.883 -8.792 2.602 929 1HD PRO 107 1HD PRO 107 -2.352 -9.455 5.342 930 2HD PRO 107 2HD PRO 107 -2.418 -7.848 4.646 931 H LEU 108 H LEU 108 -7.487 -9.378 6.166 932 HA LEU 108 HA LEU 108 -6.777 -12.006 7.123 933 1HB LEU 108 1HB LEU 108 -9.075 -11.622 8.306 934 2HB LEU 108 2HB LEU 108 -7.615 -10.824 8.857 935 HG LEU 108 HG LEU 108 -9.755 -9.437 8.719 936 1HD1 LEU 108 1HD1 LEU 108 -8.346 -7.738 8.918 937 2HD1 LEU 108 2HD1 LEU 108 -7.040 -8.781 8.307 938 3HD1 LEU 108 3HD1 LEU 108 -7.985 -7.783 7.176 939 1HD2 LEU 108 1HD2 LEU 108 -9.884 -8.363 6.312 940 2HD2 LEU 108 2HD2 LEU 108 -9.255 -9.952 5.817 941 3HD2 LEU 108 3HD2 LEU 108 -10.786 -9.842 6.717 942 H GLU 109 H GLU 109 -6.859 -12.570 4.612 943 HA GLU 109 HA GLU 109 -9.427 -13.854 4.298 944 1HB GLU 109 1HB GLU 109 -8.862 -11.530 2.874 945 2HB GLU 109 2HB GLU 109 -8.388 -12.782 1.743 946 1HG GLU 109 1HG GLU 109 -10.577 -13.053 1.220 947 2HG GLU 109 2HG GLU 109 -10.832 -13.709 2.825 948 H TYR 110 H TYR 110 -6.423 -14.417 4.913 949 HA TYR 110 HA TYR 110 -4.996 -15.581 3.009 950 1HB TYR 110 1HB TYR 110 -4.735 -17.460 4.916 951 2HB TYR 110 2HB TYR 110 -4.240 -15.815 5.265 952 HD1 TYR 110 HD1 TYR 110 -5.498 -14.422 6.813 953 HD2 TYR 110 HD2 TYR 110 -6.819 -18.379 5.865 954 HE1 TYR 110 HE1 TYR 110 -7.103 -14.366 8.784 955 HE2 TYR 110 HE2 TYR 110 -8.420 -18.310 7.839 956 HH TYR 110 HH TYR 110 -8.363 -16.928 10.153 Start of MODEL 20 1 HA MET 1 HA MET 1 -15.613 3.244 10.357 2 1HB MET 1 1HB MET 1 -16.541 0.815 11.990 3 2HB MET 1 2HB MET 1 -14.931 1.499 12.097 4 1HG MET 1 1HG MET 1 -15.714 2.937 13.671 5 2HG MET 1 2HG MET 1 -16.661 3.719 12.421 6 1HE MET 1 1HE MET 1 -17.332 4.082 14.951 7 2HE MET 1 2HE MET 1 -19.086 4.046 14.647 8 3HE MET 1 3HE MET 1 -18.375 2.982 15.884 9 H GLU 2 H GLU 2 -16.633 2.035 7.940 10 HA GLU 2 HA GLU 2 -14.634 -0.065 7.647 11 1HB GLU 2 1HB GLU 2 -17.281 -0.626 7.587 12 2HB GLU 2 2HB GLU 2 -17.084 -0.146 5.913 13 1HG GLU 2 1HG GLU 2 -15.150 -1.775 5.723 14 2HG GLU 2 2HG GLU 2 -15.478 -2.305 7.360 15 H TRP 3 H TRP 3 -13.761 -0.267 5.396 16 HA TRP 3 HA TRP 3 -14.228 2.102 3.752 17 1HB TRP 3 1HB TRP 3 -11.403 1.242 4.201 18 2HB TRP 3 2HB TRP 3 -12.035 2.784 3.661 19 HD1 TRP 3 HD1 TRP 3 -11.098 0.926 6.848 20 HE1 TRP 3 HE1 TRP 3 -11.278 2.471 8.980 21 HE3 TRP 3 HE3 TRP 3 -13.460 4.773 4.508 22 HZ2 TRP 3 HZ2 TRP 3 -12.364 5.070 9.438 23 HZ3 TRP 3 HZ3 TRP 3 -14.045 6.777 5.870 24 HH2 TRP 3 HH2 TRP 3 -13.535 6.963 8.253 25 H GLU 4 H GLU 4 -13.823 1.685 1.499 26 HA GLU 4 HA GLU 4 -13.120 -1.078 0.920 27 1HB GLU 4 1HB GLU 4 -15.692 -0.421 0.837 28 2HB GLU 4 2HB GLU 4 -15.263 0.306 -0.699 29 1HG GLU 4 1HG GLU 4 -14.913 -1.727 -1.723 30 2HG GLU 4 2HG GLU 4 -14.176 -2.438 -0.301 31 H MET 5 H MET 5 -12.699 -1.304 -1.598 32 HA MET 5 HA MET 5 -11.791 1.149 -2.772 33 1HB MET 5 1HB MET 5 -9.899 -1.164 -2.068 34 2HB MET 5 2HB MET 5 -9.460 0.150 -3.142 35 1HG MET 5 1HG MET 5 -10.318 0.498 -0.227 36 2HG MET 5 2HG MET 5 -8.658 0.519 -0.789 37 1HE MET 5 1HE MET 5 -9.636 4.270 0.072 38 2HE MET 5 2HE MET 5 -10.550 2.903 0.754 39 3HE MET 5 3HE MET 5 -8.777 2.811 0.624 40 H GLY 6 H GLY 6 -10.582 0.485 -5.008 41 1HA GLY 6 1HA GLY 6 -11.903 -1.889 -6.141 42 2HA GLY 6 2HA GLY 6 -12.157 -0.320 -6.878 43 H LEU 7 H LEU 7 -10.489 -3.058 -7.367 44 HA LEU 7 HA LEU 7 -8.552 -1.777 -8.997 45 1HB LEU 7 1HB LEU 7 -6.555 -2.669 -7.927 46 2HB LEU 7 2HB LEU 7 -7.370 -1.475 -6.937 47 HG LEU 7 HG LEU 7 -7.934 -4.383 -6.460 48 1HD1 LEU 7 1HD1 LEU 7 -5.844 -3.570 -4.705 49 2HD1 LEU 7 2HD1 LEU 7 -5.859 -4.903 -5.885 50 3HD1 LEU 7 3HD1 LEU 7 -5.305 -3.285 -6.378 51 1HD2 LEU 7 1HD2 LEU 7 -8.726 -3.718 -4.438 52 2HD2 LEU 7 2HD2 LEU 7 -7.560 -2.381 -4.289 53 3HD2 LEU 7 3HD2 LEU 7 -8.988 -2.204 -5.336 54 H GLN 8 H GLN 8 -6.959 -3.704 -9.824 55 HA GLN 8 HA GLN 8 -8.787 -5.576 -10.898 56 1HB GLN 8 1HB GLN 8 -5.929 -4.820 -11.303 57 2HB GLN 8 2HB GLN 8 -6.327 -6.479 -11.706 58 1HG GLN 8 1HG GLN 8 -7.219 -5.772 -13.664 59 2HG GLN 8 2HG GLN 8 -8.447 -4.894 -12.773 60 1HE2 GLN 8 1HE2 GLN 8 -5.061 -4.694 -13.824 61 2HE2 GLN 8 2HE2 GLN 8 -5.019 -2.989 -14.127 62 H GLU 9 H GLU 9 -8.137 -8.022 -10.964 63 HA GLU 9 HA GLU 9 -8.084 -8.873 -8.276 64 1HB GLU 9 1HB GLU 9 -9.420 -10.042 -9.980 65 2HB GLU 9 2HB GLU 9 -7.978 -10.429 -10.897 66 1HG GLU 9 1HG GLU 9 -7.541 -11.330 -8.197 67 2HG GLU 9 2HG GLU 9 -9.137 -11.873 -8.674 68 H GLU 10 H GLU 10 -5.756 -8.845 -11.016 69 HA GLU 10 HA GLU 10 -3.854 -10.474 -9.866 70 1HB GLU 10 1HB GLU 10 -4.125 -8.908 -12.209 71 2HB GLU 10 2HB GLU 10 -2.665 -8.318 -11.442 72 1HG GLU 10 1HG GLU 10 -1.994 -10.820 -11.174 73 2HG GLU 10 2HG GLU 10 -3.295 -11.171 -12.294 74 H PHE 11 H PHE 11 -4.608 -7.011 -9.414 75 HA PHE 11 HA PHE 11 -2.209 -6.447 -7.996 76 1HB PHE 11 1HB PHE 11 -4.388 -5.093 -9.191 77 2HB PHE 11 2HB PHE 11 -4.662 -4.823 -7.481 78 HD1 PHE 11 HD1 PHE 11 -2.413 -4.170 -10.296 79 HD2 PHE 11 HD2 PHE 11 -3.146 -3.455 -6.178 80 HE1 PHE 11 HE1 PHE 11 -0.733 -2.305 -10.320 81 HE2 PHE 11 HE2 PHE 11 -1.466 -1.590 -6.202 82 HZ PHE 11 HZ PHE 11 -0.280 -1.038 -8.273 83 H LEU 12 H LEU 12 -5.396 -7.761 -7.192 84 HA LEU 12 HA LEU 12 -5.408 -7.097 -4.471 85 1HB LEU 12 1HB LEU 12 -6.787 -9.117 -6.196 86 2HB LEU 12 2HB LEU 12 -6.925 -9.238 -4.453 87 HG LEU 12 HG LEU 12 -7.617 -6.721 -5.984 88 1HD1 LEU 12 1HD1 LEU 12 -9.614 -7.510 -6.575 89 2HD1 LEU 12 2HD1 LEU 12 -8.963 -9.130 -6.229 90 3HD1 LEU 12 3HD1 LEU 12 -9.885 -8.256 -4.982 91 1HD2 LEU 12 1HD2 LEU 12 -9.116 -6.944 -3.619 92 2HD2 LEU 12 2HD2 LEU 12 -7.452 -7.401 -3.183 93 3HD2 LEU 12 3HD2 LEU 12 -7.770 -5.830 -3.958 94 H GLU 13 H GLU 13 -4.081 -9.900 -6.312 95 HA GLU 13 HA GLU 13 -3.403 -11.427 -4.136 96 1HB GLU 13 1HB GLU 13 -2.339 -12.781 -5.669 97 2HB GLU 13 2HB GLU 13 -3.267 -11.802 -6.788 98 1HG GLU 13 1HG GLU 13 -1.231 -10.211 -6.877 99 2HG GLU 13 2HG GLU 13 -0.338 -11.451 -6.020 100 H LEU 14 H LEU 14 -1.768 -8.626 -5.642 101 HA LEU 14 HA LEU 14 0.728 -8.906 -4.484 102 1HB LEU 14 1HB LEU 14 -0.837 -6.431 -5.225 103 2HB LEU 14 2HB LEU 14 0.859 -6.430 -4.781 104 HG LEU 14 HG LEU 14 -0.438 -7.613 -7.234 105 1HD1 LEU 14 1HD1 LEU 14 0.882 -6.119 -8.455 106 2HD1 LEU 14 2HD1 LEU 14 0.330 -5.170 -7.055 107 3HD1 LEU 14 3HD1 LEU 14 1.985 -5.825 -7.089 108 1HD2 LEU 14 1HD2 LEU 14 2.038 -8.495 -5.872 109 2HD2 LEU 14 2HD2 LEU 14 0.960 -9.365 -6.990 110 3HD2 LEU 14 3HD2 LEU 14 2.164 -8.218 -7.626 111 H ILE 15 H ILE 15 -2.288 -7.372 -3.216 112 HA ILE 15 HA ILE 15 -1.167 -6.399 -0.866 113 HB ILE 15 HB ILE 15 -3.956 -7.221 -1.643 114 1HG1 ILE 15 1HG1 ILE 15 -4.166 -4.627 -1.369 115 2HG1 ILE 15 2HG1 ILE 15 -2.421 -4.636 -1.525 116 1HG2 ILE 15 1HG2 ILE 15 -4.058 -7.521 0.670 117 2HG2 ILE 15 2HG2 ILE 15 -2.950 -6.166 0.995 118 3HG2 ILE 15 3HG2 ILE 15 -4.607 -5.845 0.430 119 1HD1 ILE 15 1HD1 ILE 15 -2.482 -5.214 -3.747 120 2HD1 ILE 15 2HD1 ILE 15 -3.866 -6.311 -3.527 121 3HD1 ILE 15 3HD1 ILE 15 -4.133 -4.555 -3.656 122 H LYS 16 H LYS 16 -2.587 -9.607 -1.696 123 HA LYS 16 HA LYS 16 -2.559 -10.671 0.860 124 1HB LYS 16 1HB LYS 16 -2.931 -11.588 -1.858 125 2HB LYS 16 2HB LYS 16 -1.982 -12.755 -0.958 126 1HG LYS 16 1HG LYS 16 -3.719 -12.629 0.903 127 2HG LYS 16 2HG LYS 16 -4.692 -11.609 -0.139 128 1HD LYS 16 1HD LYS 16 -3.716 -14.349 -1.046 129 2HD LYS 16 2HD LYS 16 -5.204 -14.158 -0.140 130 1HE LYS 16 1HE LYS 16 -6.277 -12.973 -1.877 131 2HE LYS 16 2HE LYS 16 -4.769 -12.425 -2.581 132 1HZ LYS 16 1HZ LYS 16 -4.781 -14.185 -3.878 133 2HZ LYS 16 2HZ LYS 16 -4.840 -15.215 -2.612 134 3HZ LYS 16 3HZ LYS 16 -6.223 -14.653 -3.272 135 H LEU 17 H LEU 17 0.052 -10.070 -1.467 136 HA LEU 17 HA LEU 17 1.905 -11.679 0.061 137 1HB LEU 17 1HB LEU 17 1.971 -10.157 -2.510 138 2HB LEU 17 2HB LEU 17 3.482 -10.516 -1.700 139 HG LEU 17 HG LEU 17 1.641 -12.816 -2.026 140 1HD1 LEU 17 1HD1 LEU 17 2.668 -13.018 -4.451 141 2HD1 LEU 17 2HD1 LEU 17 1.144 -12.146 -4.155 142 3HD1 LEU 17 3HD1 LEU 17 2.665 -11.241 -4.351 143 1HD2 LEU 17 1HD2 LEU 17 4.413 -12.973 -2.992 144 2HD2 LEU 17 2HD2 LEU 17 4.254 -12.493 -1.286 145 3HD2 LEU 17 3HD2 LEU 17 3.525 -14.015 -1.854 146 H ARG 18 H ARG 18 0.712 -8.388 -0.107 147 HA ARG 18 HA ARG 18 3.016 -7.230 1.025 148 1HB ARG 18 1HB ARG 18 0.125 -6.281 0.751 149 2HB ARG 18 2HB ARG 18 1.376 -5.278 1.458 150 1HG ARG 18 1HG ARG 18 2.575 -5.095 -0.580 151 2HG ARG 18 2HG ARG 18 1.850 -6.541 -1.254 152 1HD ARG 18 1HD ARG 18 0.034 -5.400 -2.065 153 2HD ARG 18 2HD ARG 18 -0.159 -4.470 -0.592 154 HE ARG 18 HE ARG 18 2.163 -3.701 -2.239 155 1HH1 ARG 18 2HH2 ARG 18 -1.223 -3.111 -1.485 156 2HH1 ARG 18 1HH2 ARG 18 -1.220 -1.505 -2.134 157 1HH2 ARG 18 2HH1 ARG 18 2.168 -1.583 -3.096 158 2HH2 ARG 18 1HH1 ARG 18 0.722 -0.630 -3.057 159 H LYS 19 H LYS 19 0.966 -9.484 2.285 160 HA LYS 19 HA LYS 19 0.312 -8.313 4.791 161 1HB LYS 19 1HB LYS 19 -0.700 -10.339 5.280 162 2HB LYS 19 2HB LYS 19 -0.830 -10.263 3.534 163 1HG LYS 19 1HG LYS 19 0.123 -12.339 3.563 164 2HG LYS 19 2HG LYS 19 1.631 -11.484 3.814 165 1HD LYS 19 1HD LYS 19 1.648 -11.904 6.139 166 2HD LYS 19 2HD LYS 19 -0.087 -12.134 6.217 167 1HE LYS 19 1HE LYS 19 0.540 -14.188 4.535 168 2HE LYS 19 2HE LYS 19 2.054 -14.078 5.412 169 1HZ LYS 19 1HZ LYS 19 1.044 -14.624 7.356 170 2HZ LYS 19 2HZ LYS 19 -0.425 -14.055 6.927 171 3HZ LYS 19 3HZ LYS 19 0.107 -15.476 6.325 172 H LYS 20 H LYS 20 3.121 -9.927 3.388 173 HA LYS 20 HA LYS 20 4.330 -9.999 6.062 174 1HB LYS 20 1HB LYS 20 4.391 -11.837 3.772 175 2HB LYS 20 2HB LYS 20 5.984 -11.458 4.395 176 1HG LYS 20 1HG LYS 20 5.352 -12.151 6.650 177 2HG LYS 20 2HG LYS 20 3.667 -12.298 6.194 178 1HD LYS 20 1HD LYS 20 4.122 -14.203 4.761 179 2HD LYS 20 2HD LYS 20 5.853 -13.948 4.856 180 1HE LYS 20 1HE LYS 20 5.786 -14.445 7.315 181 2HE LYS 20 2HE LYS 20 4.058 -14.715 7.209 182 1HZ LYS 20 1HZ LYS 20 6.154 -16.457 6.529 183 2HZ LYS 20 2HZ LYS 20 4.559 -16.778 6.677 184 3HZ LYS 20 3HZ LYS 20 5.159 -16.260 5.249 185 H LYS 21 H LYS 21 4.010 -8.053 3.393 186 HA LYS 21 HA LYS 21 6.773 -7.088 3.667 187 1HB LYS 21 1HB LYS 21 4.937 -7.030 1.255 188 2HB LYS 21 2HB LYS 21 6.452 -6.155 1.357 189 1HG LYS 21 1HG LYS 21 7.754 -8.127 1.386 190 2HG LYS 21 2HG LYS 21 6.436 -9.115 1.984 191 1HD LYS 21 1HD LYS 21 5.406 -8.210 -0.434 192 2HD LYS 21 2HD LYS 21 7.112 -8.357 -0.809 193 1HE LYS 21 1HE LYS 21 6.883 -10.717 0.409 194 2HE LYS 21 2HE LYS 21 5.176 -10.513 0.070 195 1HZ LYS 21 1HZ LYS 21 5.540 -10.982 -2.038 196 2HZ LYS 21 2HZ LYS 21 6.734 -9.879 -2.188 197 3HZ LYS 21 3HZ LYS 21 7.077 -11.387 -1.664 198 H ILE 22 H ILE 22 4.799 -5.034 1.811 199 HA ILE 22 HA ILE 22 3.429 -3.686 3.871 200 HB ILE 22 HB ILE 22 6.187 -3.175 3.813 201 1HG1 ILE 22 1HG1 ILE 22 4.756 -3.075 5.779 202 2HG1 ILE 22 2HG1 ILE 22 5.649 -1.579 5.585 203 1HG2 ILE 22 1HG2 ILE 22 5.560 -1.727 1.792 204 2HG2 ILE 22 2HG2 ILE 22 4.747 -0.664 2.965 205 3HG2 ILE 22 3HG2 ILE 22 6.496 -0.966 3.101 206 1HD1 ILE 22 1HD1 ILE 22 3.670 -0.495 4.556 207 2HD1 ILE 22 2HD1 ILE 22 2.761 -2.019 4.695 208 3HD1 ILE 22 3HD1 ILE 22 3.269 -1.149 6.162 209 H GLU 23 H GLU 23 2.936 -1.268 2.916 210 HA GLU 23 HA GLU 23 2.763 -1.449 0.042 211 1HB GLU 23 1HB GLU 23 0.442 -1.432 -0.125 212 2HB GLU 23 2HB GLU 23 0.653 -2.457 1.281 213 1HG GLU 23 1HG GLU 23 0.278 -0.523 2.788 214 2HG GLU 23 2HG GLU 23 0.158 0.555 1.411 215 H GLY 24 H GLY 24 3.105 0.544 -0.894 216 1HA GLY 24 1HA GLY 24 3.287 2.835 0.935 217 2HA GLY 24 2HA GLY 24 4.049 2.673 -0.635 218 H ARG 25 H ARG 25 2.500 4.961 0.164 219 HA ARG 25 HA ARG 25 1.025 5.389 -2.038 220 1HB ARG 25 1HB ARG 25 -1.366 5.301 -1.062 221 2HB ARG 25 2HB ARG 25 -0.645 3.758 -1.477 222 1HG ARG 25 1HG ARG 25 -0.745 3.042 0.676 223 2HG ARG 25 2HG ARG 25 0.079 4.475 1.256 224 1HD ARG 25 1HD ARG 25 -2.096 4.474 2.302 225 2HD ARG 25 2HD ARG 25 -2.142 5.729 1.080 226 HE ARG 25 HE ARG 25 -3.571 4.370 -0.271 227 1HH1 ARG 25 2HH2 ARG 25 -2.588 2.714 2.674 228 2HH1 ARG 25 1HH2 ARG 25 -3.799 1.482 2.538 229 1HH2 ARG 25 2HH1 ARG 25 -5.168 2.745 -0.452 230 2HH2 ARG 25 1HH1 ARG 25 -5.276 1.500 0.748 231 H LEU 26 H LEU 26 1.155 7.611 -2.072 232 HA LEU 26 HA LEU 26 1.935 9.206 -0.071 233 1HB LEU 26 1HB LEU 26 1.916 10.383 -1.963 234 2HB LEU 26 2HB LEU 26 0.515 9.547 -2.603 235 HG LEU 26 HG LEU 26 -0.864 10.986 -0.955 236 1HD1 LEU 26 1HD1 LEU 26 1.051 13.171 -1.112 237 2HD1 LEU 26 2HD1 LEU 26 0.104 12.570 0.271 238 3HD1 LEU 26 3HD1 LEU 26 1.661 11.812 -0.138 239 1HD2 LEU 26 1HD2 LEU 26 -0.499 11.184 -3.548 240 2HD2 LEU 26 2HD2 LEU 26 -1.324 12.475 -2.642 241 3HD2 LEU 26 3HD2 LEU 26 0.386 12.662 -3.100 242 H TYR 27 H TYR 27 1.005 10.486 1.582 243 HA TYR 27 HA TYR 27 -1.277 9.282 2.797 244 1HB TYR 27 1HB TYR 27 0.981 10.629 3.598 245 2HB TYR 27 2HB TYR 27 -0.114 11.994 3.530 246 HD1 TYR 27 HD1 TYR 27 -2.648 10.589 4.451 247 HD2 TYR 27 HD2 TYR 27 1.365 10.474 5.929 248 HE1 TYR 27 HE1 TYR 27 -3.511 10.008 6.771 249 HE2 TYR 27 HE2 TYR 27 0.489 9.894 8.244 250 HH TYR 27 HH TYR 27 -2.986 9.415 8.787 251 H ASP 28 H ASP 28 -3.395 9.846 2.635 252 HA ASP 28 HA ASP 28 -3.913 12.398 1.322 253 1HB ASP 28 1HB ASP 28 -5.633 9.874 1.385 254 2HB ASP 28 2HB ASP 28 -6.063 11.362 0.567 255 H GLU 29 H GLU 29 -6.498 12.933 1.896 256 HA GLU 29 HA GLU 29 -6.455 13.427 4.660 257 1HB GLU 29 1HB GLU 29 -8.548 13.840 2.492 258 2HB GLU 29 2HB GLU 29 -8.849 14.281 4.161 259 1HG GLU 29 1HG GLU 29 -6.238 15.259 3.153 260 2HG GLU 29 2HG GLU 29 -7.603 15.895 2.256 261 H LYS 30 H LYS 30 -7.997 10.998 2.546 262 HA LYS 30 HA LYS 30 -9.863 10.057 4.415 263 1HB LYS 30 1HB LYS 30 -8.681 9.088 1.849 264 2HB LYS 30 2HB LYS 30 -9.497 7.912 2.860 265 1HG LYS 30 1HG LYS 30 -11.454 9.613 2.996 266 2HG LYS 30 2HG LYS 30 -10.653 10.482 1.703 267 1HD LYS 30 1HD LYS 30 -11.327 8.977 0.129 268 2HD LYS 30 2HD LYS 30 -10.827 7.610 1.104 269 1HE LYS 30 1HE LYS 30 -12.967 7.199 1.746 270 2HE LYS 30 2HE LYS 30 -13.167 8.843 2.319 271 1HZ LYS 30 1HZ LYS 30 -13.564 9.482 -0.004 272 2HZ LYS 30 2HZ LYS 30 -13.515 7.910 -0.444 273 3HZ LYS 30 3HZ LYS 30 -14.684 8.439 0.567 274 H ARG 31 H ARG 31 -6.448 9.160 3.674 275 HA ARG 31 HA ARG 31 -6.337 6.964 5.301 276 1HB ARG 31 1HB ARG 31 -4.181 9.012 4.586 277 2HB ARG 31 2HB ARG 31 -3.828 7.496 5.391 278 1HG ARG 31 1HG ARG 31 -5.326 7.623 2.738 279 2HG ARG 31 2HG ARG 31 -3.579 7.518 2.824 280 1HD ARG 31 1HD ARG 31 -3.682 5.277 3.184 281 2HD ARG 31 2HD ARG 31 -4.704 5.510 4.589 282 HE ARG 31 HE ARG 31 -6.191 5.834 2.105 283 1HH1 ARG 31 2HH2 ARG 31 -4.927 3.447 4.361 284 2HH1 ARG 31 1HH2 ARG 31 -6.090 2.238 3.932 285 1HH2 ARG 31 2HH1 ARG 31 -7.727 4.239 1.539 286 2HH2 ARG 31 1HH1 ARG 31 -7.693 2.691 2.316 287 H ARG 32 H ARG 32 -5.857 10.468 6.013 288 HA ARG 32 HA ARG 32 -4.799 10.305 8.486 289 1HB ARG 32 1HB ARG 32 -6.817 12.249 7.286 290 2HB ARG 32 2HB ARG 32 -6.184 12.494 8.902 291 1HG ARG 32 1HG ARG 32 -3.851 12.021 7.502 292 2HG ARG 32 2HG ARG 32 -4.821 12.797 6.266 293 1HD ARG 32 1HD ARG 32 -3.787 14.637 7.330 294 2HD ARG 32 2HD ARG 32 -5.361 14.595 8.099 295 HE ARG 32 HE ARG 32 -3.682 12.932 9.651 296 1HH1 ARG 32 2HH2 ARG 32 -3.850 16.326 8.738 297 2HH1 ARG 32 1HH2 ARG 32 -3.074 16.885 10.183 298 1HH2 ARG 32 2HH1 ARG 32 -2.658 13.668 11.557 299 2HH2 ARG 32 1HH1 ARG 32 -2.391 15.362 11.796 300 H GLN 33 H GLN 33 -8.226 9.914 7.460 301 HA GLN 33 HA GLN 33 -9.185 9.817 10.120 302 1HB GLN 33 1HB GLN 33 -10.287 9.937 7.471 303 2HB GLN 33 2HB GLN 33 -10.995 8.544 8.263 304 1HG GLN 33 1HG GLN 33 -11.543 10.023 10.254 305 2HG GLN 33 2HG GLN 33 -10.952 11.400 9.346 306 1HE2 GLN 33 1HE2 GLN 33 -13.423 8.970 9.648 307 2HE2 GLN 33 2HE2 GLN 33 -14.595 9.663 8.576 308 H ILE 34 H ILE 34 -7.883 7.512 7.770 309 HA ILE 34 HA ILE 34 -8.962 5.193 8.982 310 HB ILE 34 HB ILE 34 -6.612 5.608 7.132 311 1HG1 ILE 34 1HG1 ILE 34 -9.387 4.599 6.470 312 2HG1 ILE 34 2HG1 ILE 34 -8.936 6.288 6.350 313 1HG2 ILE 34 1HG2 ILE 34 -7.356 3.059 6.690 314 2HG2 ILE 34 2HG2 ILE 34 -6.070 3.529 7.827 315 3HG2 ILE 34 3HG2 ILE 34 -7.707 3.178 8.431 316 1HD1 ILE 34 1HD1 ILE 34 -8.270 5.758 4.234 317 2HD1 ILE 34 2HD1 ILE 34 -6.835 5.058 5.020 318 3HD1 ILE 34 3HD1 ILE 34 -8.214 4.016 4.594 319 H LYS 35 H LYS 35 -7.873 3.616 10.312 320 HA LYS 35 HA LYS 35 -5.404 4.488 11.557 321 1HB LYS 35 1HB LYS 35 -6.202 4.571 13.761 322 2HB LYS 35 2HB LYS 35 -7.352 5.512 12.834 323 1HG LYS 35 1HG LYS 35 -8.063 2.645 12.937 324 2HG LYS 35 2HG LYS 35 -7.969 3.368 14.530 325 1HD LYS 35 1HD LYS 35 -9.470 4.780 12.300 326 2HD LYS 35 2HD LYS 35 -10.240 3.486 13.196 327 1HE LYS 35 1HE LYS 35 -8.889 5.764 14.681 328 2HE LYS 35 2HE LYS 35 -10.504 5.976 14.035 329 1HZ LYS 35 1HZ LYS 35 -10.321 5.099 16.354 330 2HZ LYS 35 2HZ LYS 35 -11.299 4.253 15.358 331 3HZ LYS 35 3HZ LYS 35 -9.813 3.682 15.720 332 HA PRO 36 HA PRO 36 -4.742 0.226 11.687 333 1HB PRO 36 1HB PRO 36 -3.158 -0.128 13.885 334 2HB PRO 36 2HB PRO 36 -2.553 0.474 12.355 335 1HG PRO 36 1HG PRO 36 -3.087 1.964 14.851 336 2HG PRO 36 2HG PRO 36 -2.105 2.437 13.479 337 1HD PRO 36 1HD PRO 36 -4.741 3.378 14.110 338 2HD PRO 36 2HD PRO 36 -3.806 3.762 12.678 339 H GLY 37 H GLY 37 -6.768 -0.695 11.822 340 1HA GLY 37 1HA GLY 37 -7.272 -2.425 13.841 341 2HA GLY 37 2HA GLY 37 -7.969 -0.931 14.434 342 H ASP 38 H ASP 38 -8.548 0.050 11.612 343 HA ASP 38 HA ASP 38 -11.113 -1.107 11.462 344 1HB ASP 38 1HB ASP 38 -9.761 0.629 9.354 345 2HB ASP 38 2HB ASP 38 -11.482 0.460 9.639 346 H VAL 39 H VAL 39 -11.676 -1.360 8.724 347 HA VAL 39 HA VAL 39 -9.686 -3.233 7.684 348 HB VAL 39 HB VAL 39 -12.643 -3.764 8.027 349 1HG1 VAL 39 1HG1 VAL 39 -10.771 -5.824 6.933 350 2HG1 VAL 39 2HG1 VAL 39 -12.513 -5.591 6.649 351 3HG1 VAL 39 3HG1 VAL 39 -11.330 -4.534 5.842 352 1HG2 VAL 39 1HG2 VAL 39 -10.512 -5.601 9.038 353 2HG2 VAL 39 2HG2 VAL 39 -10.806 -4.090 9.932 354 3HG2 VAL 39 3HG2 VAL 39 -12.132 -5.253 9.689 355 H ILE 40 H ILE 40 -9.476 -3.193 5.437 356 HA ILE 40 HA ILE 40 -11.221 -1.242 4.100 357 HB ILE 40 HB ILE 40 -8.349 -1.844 3.408 358 1HG1 ILE 40 1HG1 ILE 40 -9.274 0.602 4.915 359 2HG1 ILE 40 2HG1 ILE 40 -8.760 -0.848 5.754 360 1HG2 ILE 40 1HG2 ILE 40 -8.738 0.560 2.397 361 2HG2 ILE 40 2HG2 ILE 40 -9.225 -0.905 1.513 362 3HG2 ILE 40 3HG2 ILE 40 -10.441 0.042 2.402 363 1HD1 ILE 40 1HD1 ILE 40 -6.550 -0.750 4.787 364 2HD1 ILE 40 2HD1 ILE 40 -7.051 0.495 3.617 365 3HD1 ILE 40 3HD1 ILE 40 -6.933 0.896 5.347 366 H SER 41 H SER 41 -12.587 -2.180 2.689 367 HA SER 41 HA SER 41 -12.020 -4.851 1.844 368 1HB SER 41 1HB SER 41 -14.293 -4.551 2.365 369 2HB SER 41 2HB SER 41 -14.363 -2.960 1.633 370 HG SER 41 HG SER 41 -13.800 -5.194 -0.058 371 H PHE 42 H PHE 42 -11.751 -5.530 -0.376 372 HA PHE 42 HA PHE 42 -11.153 -3.320 -2.213 373 1HB PHE 42 1HB PHE 42 -9.763 -6.009 -1.673 374 2HB PHE 42 2HB PHE 42 -9.394 -5.038 -3.085 375 HD1 PHE 42 HD1 PHE 42 -7.452 -3.828 -2.924 376 HD2 PHE 42 HD2 PHE 42 -9.750 -4.432 0.592 377 HE1 PHE 42 HE1 PHE 42 -5.758 -2.537 -1.595 378 HE2 PHE 42 HE2 PHE 42 -8.057 -3.141 1.921 379 HZ PHE 42 HZ PHE 42 -6.081 -2.209 0.812 380 H GLU 43 H GLU 43 -12.112 -3.441 -4.210 381 HA GLU 43 HA GLU 43 -13.396 -4.141 -5.814 382 1HB GLU 43 1HB GLU 43 -11.634 -6.421 -5.258 383 2HB GLU 43 2HB GLU 43 -13.154 -6.946 -5.955 384 1HG GLU 43 1HG GLU 43 -11.319 -4.799 -7.122 385 2HG GLU 43 2HG GLU 43 -11.467 -6.441 -7.716 386 H GLY 44 H GLY 44 -14.711 -3.748 -3.383 387 1HA GLY 44 1HA GLY 44 -16.914 -4.048 -2.791 388 2HA GLY 44 2HA GLY 44 -16.980 -5.541 -3.707 389 H GLY 45 H GLY 45 -15.224 -7.277 -2.787 390 1HA GLY 45 1HA GLY 45 -14.685 -7.233 -0.012 391 2HA GLY 45 2HA GLY 45 -16.175 -8.107 -0.306 392 H LYS 46 H LYS 46 -13.600 -7.969 -2.765 393 HA LYS 46 HA LYS 46 -13.434 -10.828 -2.728 394 1HB LYS 46 1HB LYS 46 -13.337 -9.100 -4.728 395 2HB LYS 46 2HB LYS 46 -11.624 -9.081 -4.361 396 1HG LYS 46 1HG LYS 46 -12.745 -11.818 -4.400 397 2HG LYS 46 2HG LYS 46 -12.943 -10.988 -5.931 398 1HD LYS 46 1HD LYS 46 -10.357 -10.307 -5.414 399 2HD LYS 46 2HD LYS 46 -10.421 -11.818 -4.530 400 1HE LYS 46 1HE LYS 46 -11.038 -11.396 -7.489 401 2HE LYS 46 2HE LYS 46 -9.700 -12.301 -6.810 402 1HZ LYS 46 1HZ LYS 46 -11.082 -13.988 -6.173 403 2HZ LYS 46 2HZ LYS 46 -12.428 -13.064 -6.131 404 3HZ LYS 46 3HZ LYS 46 -11.798 -13.524 -7.566 405 H LEU 47 H LEU 47 -11.423 -8.031 -1.717 406 HA LEU 47 HA LEU 47 -9.751 -9.950 -0.269 407 1HB LEU 47 1HB LEU 47 -8.818 -8.917 -2.515 408 2HB LEU 47 2HB LEU 47 -8.499 -7.531 -1.492 409 HG LEU 47 HG LEU 47 -6.656 -9.327 -1.873 410 1HD1 LEU 47 1HD1 LEU 47 -7.198 -7.470 0.177 411 2HD1 LEU 47 2HD1 LEU 47 -6.580 -8.935 0.976 412 3HD1 LEU 47 3HD1 LEU 47 -5.625 -8.149 -0.303 413 1HD2 LEU 47 1HD2 LEU 47 -6.619 -11.215 -0.462 414 2HD2 LEU 47 2HD2 LEU 47 -8.023 -10.648 0.474 415 3HD2 LEU 47 3HD2 LEU 47 -8.237 -11.202 -1.204 416 H LYS 48 H LYS 48 -9.961 -9.553 1.861 417 HA LYS 48 HA LYS 48 -10.607 -6.797 2.630 418 1HB LYS 48 1HB LYS 48 -11.073 -9.334 4.220 419 2HB LYS 48 2HB LYS 48 -11.646 -7.724 4.602 420 1HG LYS 48 1HG LYS 48 -12.382 -9.103 1.988 421 2HG LYS 48 2HG LYS 48 -13.318 -9.343 3.449 422 1HD LYS 48 1HD LYS 48 -12.974 -6.534 3.270 423 2HD LYS 48 2HD LYS 48 -13.290 -7.048 1.625 424 1HE LYS 48 1HE LYS 48 -15.015 -7.818 4.028 425 2HE LYS 48 2HE LYS 48 -15.385 -6.504 2.929 426 1HZ LYS 48 1HZ LYS 48 -16.329 -7.993 1.638 427 2HZ LYS 48 2HZ LYS 48 -14.888 -8.713 1.373 428 3HZ LYS 48 3HZ LYS 48 -15.851 -9.234 2.585 429 H VAL 49 H VAL 49 -9.326 -5.697 4.110 430 HA VAL 49 HA VAL 49 -7.093 -7.175 5.267 431 HB VAL 49 HB VAL 49 -5.448 -5.789 4.410 432 1HG1 VAL 49 1HG1 VAL 49 -7.164 -5.703 1.959 433 2HG1 VAL 49 2HG1 VAL 49 -5.481 -6.248 2.162 434 3HG1 VAL 49 3HG1 VAL 49 -6.825 -7.286 2.698 435 1HG2 VAL 49 1HG2 VAL 49 -5.931 -3.588 4.561 436 2HG2 VAL 49 2HG2 VAL 49 -6.411 -3.765 2.856 437 3HG2 VAL 49 3HG2 VAL 49 -7.643 -3.826 4.139 438 H ARG 50 H ARG 50 -6.015 -5.875 7.029 439 HA ARG 50 HA ARG 50 -7.795 -3.825 8.042 440 1HB ARG 50 1HB ARG 50 -8.552 -5.561 9.427 441 2HB ARG 50 2HB ARG 50 -7.026 -6.420 9.370 442 1HG ARG 50 1HG ARG 50 -5.981 -4.758 10.868 443 2HG ARG 50 2HG ARG 50 -7.433 -3.777 10.845 444 1HD ARG 50 1HD ARG 50 -8.673 -5.340 12.138 445 2HD ARG 50 2HD ARG 50 -7.606 -6.671 11.737 446 HE ARG 50 HE ARG 50 -5.927 -4.940 13.081 447 1HH1 ARG 50 2HH2 ARG 50 -9.063 -6.341 13.847 448 2HH1 ARG 50 1HH2 ARG 50 -8.793 -6.330 15.558 449 1HH2 ARG 50 2HH1 ARG 50 -5.570 -4.926 15.338 450 2HH2 ARG 50 1HH1 ARG 50 -6.793 -5.520 16.412 451 H VAL 51 H VAL 51 -6.571 -2.007 8.431 452 HA VAL 51 HA VAL 51 -3.864 -1.868 8.156 453 HB VAL 51 HB VAL 51 -5.601 -0.140 9.929 454 1HG1 VAL 51 1HG1 VAL 51 -3.960 1.645 9.122 455 2HG1 VAL 51 2HG1 VAL 51 -3.343 0.463 10.301 456 3HG1 VAL 51 3HG1 VAL 51 -2.929 0.300 8.578 457 1HG2 VAL 51 1HG2 VAL 51 -5.200 1.018 7.355 458 2HG2 VAL 51 2HG2 VAL 51 -5.785 -0.646 7.116 459 3HG2 VAL 51 3HG2 VAL 51 -6.724 0.493 8.110 460 H LYS 52 H LYS 52 -2.056 -1.855 9.566 461 HA LYS 52 HA LYS 52 -2.612 -3.142 12.148 462 1HB LYS 52 1HB LYS 52 -0.601 -3.664 10.026 463 2HB LYS 52 2HB LYS 52 -0.011 -3.739 11.674 464 1HG LYS 52 1HG LYS 52 -2.632 -5.094 11.222 465 2HG LYS 52 2HG LYS 52 -1.277 -5.818 10.380 466 1HD LYS 52 1HD LYS 52 -0.880 -6.903 12.350 467 2HD LYS 52 2HD LYS 52 -0.162 -5.390 12.868 468 1HE LYS 52 1HE LYS 52 -1.904 -4.892 14.285 469 2HE LYS 52 2HE LYS 52 -3.119 -5.467 13.160 470 1HZ LYS 52 1HZ LYS 52 -2.965 -7.560 13.959 471 2HZ LYS 52 2HZ LYS 52 -1.395 -7.441 14.393 472 3HZ LYS 52 3HZ LYS 52 -2.553 -6.763 15.324 473 H ALA 53 H ALA 53 -0.676 -0.696 10.352 474 HA ALA 53 HA ALA 53 -0.677 1.029 12.590 475 1HB ALA 53 1HB ALA 53 1.437 -0.932 12.467 476 2HB ALA 53 2HB ALA 53 2.123 0.688 12.196 477 3HB ALA 53 3HB ALA 53 1.176 0.357 13.666 478 H ILE 54 H ILE 54 0.323 3.122 12.037 479 HA ILE 54 HA ILE 54 0.554 3.389 9.124 480 HB ILE 54 HB ILE 54 -1.274 4.543 10.689 481 1HG1 ILE 54 1HG1 ILE 54 0.015 5.275 8.120 482 2HG1 ILE 54 2HG1 ILE 54 -1.655 4.882 8.476 483 1HG2 ILE 54 1HG2 ILE 54 0.749 6.761 10.522 484 2HG2 ILE 54 2HG2 ILE 54 -0.733 6.646 11.501 485 3HG2 ILE 54 3HG2 ILE 54 0.697 5.678 11.934 486 1HD1 ILE 54 1HD1 ILE 54 -1.712 7.163 9.760 487 2HD1 ILE 54 2HD1 ILE 54 -0.219 7.526 8.863 488 3HD1 ILE 54 3HD1 ILE 54 -1.729 7.196 7.981 489 H ARG 55 H ARG 55 2.279 4.598 8.234 490 HA ARG 55 HA ARG 55 4.224 5.572 10.122 491 1HB ARG 55 1HB ARG 55 4.688 3.333 8.123 492 2HB ARG 55 2HB ARG 55 6.017 4.390 8.554 493 1HG ARG 55 1HG ARG 55 4.491 3.421 10.904 494 2HG ARG 55 2HG ARG 55 5.222 2.126 9.976 495 1HD ARG 55 1HD ARG 55 7.338 2.694 10.637 496 2HD ARG 55 2HD ARG 55 7.070 4.399 10.337 497 HE ARG 55 HE ARG 55 6.654 2.977 12.884 498 1HH1 ARG 55 2HH2 ARG 55 6.017 5.898 11.028 499 2HH1 ARG 55 1HH2 ARG 55 5.681 6.866 12.425 500 1HH2 ARG 55 2HH1 ARG 55 6.211 4.253 14.727 501 2HH2 ARG 55 1HH1 ARG 55 5.792 5.924 14.543 502 H VAL 56 H VAL 56 5.650 7.199 9.185 503 HA VAL 56 HA VAL 56 4.874 7.992 6.463 504 HB VAL 56 HB VAL 56 5.518 9.805 8.796 505 1HG1 VAL 56 1HG1 VAL 56 5.003 10.241 5.890 506 2HG1 VAL 56 2HG1 VAL 56 4.290 11.405 7.032 507 3HG1 VAL 56 3HG1 VAL 56 6.049 11.135 7.018 508 1HG2 VAL 56 1HG2 VAL 56 2.811 9.946 7.675 509 2HG2 VAL 56 2HG2 VAL 56 3.176 8.380 8.438 510 3HG2 VAL 56 3HG2 VAL 56 3.350 9.886 9.370 511 H TYR 57 H TYR 57 6.553 8.810 5.125 512 HA TYR 57 HA TYR 57 9.248 8.584 6.269 513 1HB TYR 57 1HB TYR 57 8.116 7.567 3.587 514 2HB TYR 57 2HB TYR 57 9.812 7.484 4.022 515 HD1 TYR 57 HD1 TYR 57 10.635 5.523 4.972 516 HD2 TYR 57 HD2 TYR 57 6.456 6.385 5.293 517 HE1 TYR 57 HE1 TYR 57 10.240 3.251 6.043 518 HE2 TYR 57 HE2 TYR 57 6.076 4.110 6.363 519 HH TYR 57 HH TYR 57 8.811 1.978 7.084 520 H ASN 58 H ASN 58 10.861 9.391 4.345 521 HA ASN 58 HA ASN 58 10.123 12.096 4.023 522 1HB ASN 58 1HB ASN 58 12.527 10.417 3.697 523 2HB ASN 58 2HB ASN 58 12.395 11.589 2.401 524 1HD2 ASN 58 1HD2 ASN 58 12.538 11.124 5.875 525 2HD2 ASN 58 2HD2 ASN 58 13.066 12.714 6.312 526 H SER 59 H SER 59 10.681 9.226 1.871 527 HA SER 59 HA SER 59 8.821 10.274 -0.003 528 1HB SER 59 1HB SER 59 11.595 10.866 -0.392 529 2HB SER 59 2HB SER 59 11.176 9.641 -1.572 530 HG SER 59 HG SER 59 10.803 11.870 -2.305 531 H PHE 60 H PHE 60 9.208 8.631 -2.175 532 HA PHE 60 HA PHE 60 8.527 6.104 -1.116 533 1HB PHE 60 1HB PHE 60 9.171 7.302 -3.862 534 2HB PHE 60 2HB PHE 60 8.783 5.600 -3.712 535 HD1 PHE 60 HD1 PHE 60 7.409 8.495 -4.726 536 HD2 PHE 60 HD2 PHE 60 6.583 5.391 -1.953 537 HE1 PHE 60 HE1 PHE 60 4.962 9.042 -4.841 538 HE2 PHE 60 HE2 PHE 60 4.136 5.938 -2.069 539 HZ PHE 60 HZ PHE 60 3.355 7.757 -3.511 540 H ARG 61 H ARG 61 11.470 7.492 -2.660 541 HA ARG 61 HA ARG 61 12.807 5.161 -3.093 542 1HB ARG 61 1HB ARG 61 13.497 7.521 -3.782 543 2HB ARG 61 2HB ARG 61 14.050 7.790 -2.141 544 1HG ARG 61 1HG ARG 61 16.036 7.093 -3.162 545 2HG ARG 61 2HG ARG 61 15.447 5.572 -2.520 546 1HD ARG 61 1HD ARG 61 15.991 5.022 -4.758 547 2HD ARG 61 2HD ARG 61 14.258 5.269 -4.831 548 HE ARG 61 HE ARG 61 14.589 7.248 -6.075 549 1HH1 ARG 61 2HH2 ARG 61 17.657 6.084 -4.803 550 2HH1 ARG 61 1HH2 ARG 61 18.611 7.165 -5.763 551 1HH2 ARG 61 2HH1 ARG 61 15.847 8.674 -7.342 552 2HH2 ARG 61 1HH1 ARG 61 17.574 8.649 -7.217 553 H GLU 62 H GLU 62 12.641 7.228 -0.127 554 HA GLU 62 HA GLU 62 14.491 5.715 1.314 555 1HB GLU 62 1HB GLU 62 12.473 7.845 1.917 556 2HB GLU 62 2HB GLU 62 13.012 6.880 3.277 557 1HG GLU 62 1HG GLU 62 14.849 8.209 3.378 558 2HG GLU 62 2HG GLU 62 15.396 7.448 1.897 559 H MET 63 H MET 63 10.910 5.595 0.965 560 HA MET 63 HA MET 63 10.453 3.781 3.000 561 1HB MET 63 1HB MET 63 9.052 4.785 0.544 562 2HB MET 63 2HB MET 63 8.480 3.233 1.125 563 1HG MET 63 1HG MET 63 8.275 4.302 3.457 564 2HG MET 63 2HG MET 63 8.599 5.848 2.698 565 1HE MET 63 1HE MET 63 6.446 3.117 0.549 566 2HE MET 63 2HE MET 63 6.740 2.616 2.231 567 3HE MET 63 3HE MET 63 5.098 3.062 1.709 568 H LEU 64 H LEU 64 10.975 3.259 -0.556 569 HA LEU 64 HA LEU 64 10.766 0.460 -0.393 570 1HB LEU 64 1HB LEU 64 12.291 1.998 -2.482 571 2HB LEU 64 2HB LEU 64 11.485 0.450 -2.640 572 HG LEU 64 HG LEU 64 9.680 2.645 -1.872 573 1HD1 LEU 64 1HD1 LEU 64 11.396 3.771 -3.374 574 2HD1 LEU 64 2HD1 LEU 64 10.793 2.722 -4.679 575 3HD1 LEU 64 3HD1 LEU 64 9.694 3.874 -3.882 576 1HD2 LEU 64 1HD2 LEU 64 9.701 0.314 -3.756 577 2HD2 LEU 64 2HD2 LEU 64 8.565 0.717 -2.447 578 3HD2 LEU 64 3HD2 LEU 64 8.512 1.618 -3.981 579 H GLU 65 H GLU 65 13.380 2.784 0.203 580 HA GLU 65 HA GLU 65 15.402 0.803 0.089 581 1HB GLU 65 1HB GLU 65 15.244 3.708 0.871 582 2HB GLU 65 2HB GLU 65 16.638 2.788 1.400 583 1HG GLU 65 1HG GLU 65 16.378 2.025 -1.281 584 2HG GLU 65 2HG GLU 65 15.923 3.717 -1.315 585 H LYS 66 H LYS 66 13.367 2.326 2.619 586 HA LYS 66 HA LYS 66 14.804 0.972 4.720 587 1HB LYS 66 1HB LYS 66 13.300 3.302 4.554 588 2HB LYS 66 2HB LYS 66 12.239 2.205 5.415 589 1HG LYS 66 1HG LYS 66 13.498 3.077 7.184 590 2HG LYS 66 2HG LYS 66 14.402 1.619 6.824 591 1HD LYS 66 1HD LYS 66 16.190 3.059 6.732 592 2HD LYS 66 2HD LYS 66 15.634 3.332 5.093 593 1HE LYS 66 1HE LYS 66 15.850 5.525 5.974 594 2HE LYS 66 2HE LYS 66 14.130 5.210 6.090 595 1HZ LYS 66 1HZ LYS 66 14.922 4.278 8.408 596 2HZ LYS 66 2HZ LYS 66 16.088 5.401 8.193 597 3HZ LYS 66 3HZ LYS 66 14.516 5.845 8.189 598 H GLU 67 H GLU 67 11.308 1.022 3.712 599 HA GLU 67 HA GLU 67 10.738 -1.331 5.050 600 1HB GLU 67 1HB GLU 67 9.387 0.495 3.175 601 2HB GLU 67 2HB GLU 67 8.869 -1.166 2.967 602 1HG GLU 67 1HG GLU 67 8.831 0.445 5.560 603 2HG GLU 67 2HG GLU 67 7.439 -0.093 4.640 604 H GLY 68 H GLY 68 11.311 -0.718 1.510 605 1HA GLY 68 1HA GLY 68 12.914 -2.425 0.577 606 2HA GLY 68 2HA GLY 68 11.786 -3.618 1.191 607 H LEU 69 H LEU 69 12.721 -2.252 -1.612 608 HA LEU 69 HA LEU 69 10.495 -1.214 -2.836 609 1HB LEU 69 1HB LEU 69 12.594 -1.063 -3.884 610 2HB LEU 69 2HB LEU 69 12.841 -2.798 -3.850 611 HG LEU 69 HG LEU 69 10.975 -3.057 -5.493 612 1HD1 LEU 69 1HD1 LEU 69 10.952 -0.061 -5.273 613 2HD1 LEU 69 2HD1 LEU 69 10.481 -0.859 -6.793 614 3HD1 LEU 69 3HD1 LEU 69 9.594 -1.212 -5.291 615 1HD2 LEU 69 1HD2 LEU 69 13.074 -3.217 -6.463 616 2HD2 LEU 69 2HD2 LEU 69 12.300 -1.929 -7.418 617 3HD2 LEU 69 3HD2 LEU 69 13.470 -1.511 -6.143 618 H GLU 70 H GLU 70 11.601 -4.679 -2.972 619 HA GLU 70 HA GLU 70 9.179 -5.494 -4.118 620 1HB GLU 70 1HB GLU 70 11.670 -6.775 -3.112 621 2HB GLU 70 2HB GLU 70 10.249 -7.800 -3.053 622 1HG GLU 70 1HG GLU 70 9.804 -7.352 -5.463 623 2HG GLU 70 2HG GLU 70 11.188 -6.280 -5.533 624 H ASN 71 H ASN 71 10.000 -4.537 -0.941 625 HA ASN 71 HA ASN 71 8.083 -6.317 0.274 626 1HB ASN 71 1HB ASN 71 9.870 -4.122 1.450 627 2HB ASN 71 2HB ASN 71 8.819 -5.145 2.408 628 1HD2 ASN 71 1HD2 ASN 71 11.213 -5.315 3.229 629 2HD2 ASN 71 2HD2 ASN 71 12.081 -6.715 2.693 630 H VAL 72 H VAL 72 7.795 -3.716 -1.637 631 HA VAL 72 HA VAL 72 5.540 -2.646 -0.119 632 HB VAL 72 HB VAL 72 7.703 -1.014 -1.462 633 1HG1 VAL 72 1HG1 VAL 72 5.944 0.353 -1.911 634 2HG1 VAL 72 2HG1 VAL 72 4.919 -0.364 -0.645 635 3HG1 VAL 72 3HG1 VAL 72 6.172 0.822 -0.209 636 1HG2 VAL 72 1HG2 VAL 72 7.441 -1.995 1.204 637 2HG2 VAL 72 2HG2 VAL 72 8.673 -0.895 0.540 638 3HG2 VAL 72 3HG2 VAL 72 7.175 -0.235 1.239 639 H LEU 73 H LEU 73 7.351 -2.743 -3.258 640 HA LEU 73 HA LEU 73 4.733 -2.964 -4.566 641 1HB LEU 73 1HB LEU 73 5.972 -0.712 -4.765 642 2HB LEU 73 2HB LEU 73 7.086 -1.569 -5.812 643 HG LEU 73 HG LEU 73 4.641 -2.254 -6.890 644 1HD1 LEU 73 1HD1 LEU 73 4.148 0.001 -5.240 645 2HD1 LEU 73 2HD1 LEU 73 4.090 0.552 -6.932 646 3HD1 LEU 73 3HD1 LEU 73 3.052 -0.792 -6.397 647 1HD2 LEU 73 1HD2 LEU 73 5.407 -0.035 -8.350 648 2HD2 LEU 73 2HD2 LEU 73 6.918 -0.555 -7.567 649 3HD2 LEU 73 3HD2 LEU 73 5.997 -1.700 -8.571 650 HA PRO 74 HA PRO 74 6.997 -6.622 -5.649 651 1HB PRO 74 1HB PRO 74 4.827 -8.271 -5.860 652 2HB PRO 74 2HB PRO 74 5.719 -8.047 -4.369 653 1HG PRO 74 1HG PRO 74 3.074 -6.965 -5.127 654 2HG PRO 74 2HG PRO 74 3.783 -7.114 -3.531 655 1HD PRO 74 1HD PRO 74 3.552 -4.717 -5.089 656 2HD PRO 74 2HD PRO 74 4.363 -4.889 -3.546 657 H GLY 75 H GLY 75 7.807 -7.054 -7.603 658 1HA GLY 75 1HA GLY 75 7.298 -7.776 -9.831 659 2HA GLY 75 2HA GLY 75 5.904 -6.713 -9.837 660 H VAL 76 H VAL 76 7.362 -4.480 -8.436 661 HA VAL 76 HA VAL 76 8.036 -2.898 -10.471 662 HB VAL 76 HB VAL 76 7.885 -2.189 -8.163 663 1HG1 VAL 76 1HG1 VAL 76 9.377 -4.298 -7.467 664 2HG1 VAL 76 2HG1 VAL 76 10.660 -3.065 -7.501 665 3HG1 VAL 76 3HG1 VAL 76 9.242 -2.845 -6.447 666 1HG2 VAL 76 1HG2 VAL 76 10.694 -1.426 -8.864 667 2HG2 VAL 76 2HG2 VAL 76 9.394 -1.026 -10.012 668 3HG2 VAL 76 3HG2 VAL 76 9.328 -0.411 -8.343 669 H LYS 77 H LYS 77 10.018 -2.223 -11.541 670 HA LYS 77 HA LYS 77 11.705 -4.509 -12.077 671 1HB LYS 77 1HB LYS 77 11.307 -1.810 -13.368 672 2HB LYS 77 2HB LYS 77 12.656 -2.839 -13.805 673 1HG LYS 77 1HG LYS 77 10.678 -4.691 -13.958 674 2HG LYS 77 2HG LYS 77 9.715 -3.260 -14.269 675 1HD LYS 77 1HD LYS 77 10.428 -3.310 -16.419 676 2HD LYS 77 2HD LYS 77 12.038 -2.910 -15.852 677 1HE LYS 77 1HE LYS 77 12.047 -5.585 -15.316 678 2HE LYS 77 2HE LYS 77 10.910 -5.576 -16.649 679 1HZ LYS 77 1HZ LYS 77 12.946 -3.934 -17.419 680 2HZ LYS 77 2HZ LYS 77 13.693 -5.201 -16.711 681 3HZ LYS 77 3HZ LYS 77 12.663 -5.451 -17.953 682 H SER 78 H SER 78 11.820 -1.307 -10.496 683 HA SER 78 HA SER 78 14.056 -2.106 -9.011 684 1HB SER 78 1HB SER 78 14.499 -0.272 -11.371 685 2HB SER 78 2HB SER 78 15.446 -0.026 -9.917 686 HG SER 78 HG SER 78 15.473 -2.199 -11.756 687 H ILE 79 H ILE 79 14.868 -0.103 -7.634 688 HA ILE 79 HA ILE 79 12.668 1.000 -6.374 689 HB ILE 79 HB ILE 79 15.540 1.935 -6.389 690 1HG1 ILE 79 1HG1 ILE 79 14.092 -0.127 -4.707 691 2HG1 ILE 79 2HG1 ILE 79 15.435 -0.398 -5.800 692 1HG2 ILE 79 1HG2 ILE 79 13.621 2.329 -4.114 693 2HG2 ILE 79 2HG2 ILE 79 15.121 3.203 -4.505 694 3HG2 ILE 79 3HG2 ILE 79 13.652 3.479 -5.472 695 1HD1 ILE 79 1HD1 ILE 79 16.950 0.888 -4.394 696 2HD1 ILE 79 2HD1 ILE 79 15.603 1.439 -3.369 697 3HD1 ILE 79 3HD1 ILE 79 16.090 -0.272 -3.354 698 H GLU 80 H GLU 80 14.753 2.258 -9.017 699 HA GLU 80 HA GLU 80 13.690 4.826 -8.978 700 1HB GLU 80 1HB GLU 80 15.514 3.257 -10.619 701 2HB GLU 80 2HB GLU 80 14.469 4.217 -11.648 702 1HG GLU 80 1HG GLU 80 15.257 5.900 -9.457 703 2HG GLU 80 2HG GLU 80 16.705 5.092 -10.024 704 H GLU 81 H GLU 81 12.839 1.863 -10.876 705 HA GLU 81 HA GLU 81 10.893 3.081 -12.418 706 1HB GLU 81 1HB GLU 81 11.530 0.247 -11.614 707 2HB GLU 81 2HB GLU 81 10.000 0.555 -12.410 708 1HG GLU 81 1HG GLU 81 12.608 1.624 -13.555 709 2HG GLU 81 2HG GLU 81 12.071 -0.008 -13.899 710 H GLY 82 H GLY 82 10.799 1.573 -9.160 711 1HA GLY 82 1HA GLY 82 8.083 1.347 -8.760 712 2HA GLY 82 2HA GLY 82 9.269 1.695 -7.517 713 H ILE 83 H ILE 83 10.225 4.244 -8.339 714 HA ILE 83 HA ILE 83 8.245 5.893 -7.267 715 HB ILE 83 HB ILE 83 10.894 6.290 -8.586 716 1HG1 ILE 83 1HG1 ILE 83 10.455 7.611 -6.053 717 2HG1 ILE 83 2HG1 ILE 83 9.951 5.936 -5.947 718 1HG2 ILE 83 1HG2 ILE 83 9.885 8.166 -9.515 719 2HG2 ILE 83 2HG2 ILE 83 8.826 8.423 -8.108 720 3HG2 ILE 83 3HG2 ILE 83 10.565 8.785 -7.991 721 1HD1 ILE 83 1HD1 ILE 83 12.187 5.584 -5.549 722 2HD1 ILE 83 2HD1 ILE 83 12.289 5.615 -7.325 723 3HD1 ILE 83 3HD1 ILE 83 12.675 7.077 -6.386 724 H GLN 84 H GLN 84 9.245 5.177 -10.650 725 HA GLN 84 HA GLN 84 7.785 7.130 -11.883 726 1HB GLN 84 1HB GLN 84 9.034 4.568 -12.624 727 2HB GLN 84 2HB GLN 84 7.629 4.926 -13.609 728 1HG GLN 84 1HG GLN 84 9.640 5.893 -14.648 729 2HG GLN 84 2HG GLN 84 8.559 7.177 -14.142 730 1HE2 GLN 84 1HE2 GLN 84 9.175 8.632 -12.661 731 2HE2 GLN 84 2HE2 GLN 84 10.719 8.678 -11.877 732 H VAL 85 H VAL 85 6.772 3.962 -10.556 733 HA VAL 85 HA VAL 85 4.233 3.916 -11.762 734 HB VAL 85 HB VAL 85 5.707 2.490 -9.642 735 1HG1 VAL 85 1HG1 VAL 85 3.476 1.289 -9.037 736 2HG1 VAL 85 2HG1 VAL 85 3.884 2.823 -8.231 737 3HG1 VAL 85 3HG1 VAL 85 2.711 2.805 -9.570 738 1HG2 VAL 85 1HG2 VAL 85 3.951 1.741 -11.990 739 2HG2 VAL 85 2HG2 VAL 85 5.706 1.514 -11.798 740 3HG2 VAL 85 3HG2 VAL 85 4.572 0.538 -10.834 741 H TYR 86 H TYR 86 5.430 5.099 -8.555 742 HA TYR 86 HA TYR 86 2.883 5.920 -7.668 743 1HB TYR 86 1HB TYR 86 5.705 6.972 -7.021 744 2HB TYR 86 2HB TYR 86 4.318 7.063 -5.954 745 HD1 TYR 86 HD1 TYR 86 3.315 4.179 -6.529 746 HD2 TYR 86 HD2 TYR 86 7.152 5.782 -5.522 747 HE1 TYR 86 HE1 TYR 86 3.977 1.958 -5.485 748 HE2 TYR 86 HE2 TYR 86 7.801 3.556 -4.481 749 HH TYR 86 HH TYR 86 5.583 1.213 -3.709 750 H ARG 87 H ARG 87 5.216 7.293 -9.902 751 HA ARG 87 HA ARG 87 4.407 9.961 -9.504 752 1HB ARG 87 1HB ARG 87 6.431 8.577 -10.964 753 2HB ARG 87 2HB ARG 87 5.504 9.447 -12.169 754 1HG ARG 87 1HG ARG 87 5.959 11.151 -9.840 755 2HG ARG 87 2HG ARG 87 7.483 10.507 -10.418 756 1HD ARG 87 1HD ARG 87 6.213 11.215 -12.798 757 2HD ARG 87 2HD ARG 87 5.657 12.464 -11.702 758 HE ARG 87 HE ARG 87 8.372 12.343 -11.175 759 1HH1 ARG 87 2HH2 ARG 87 6.482 12.740 -14.117 760 2HH1 ARG 87 1HH2 ARG 87 7.696 13.676 -14.923 761 1HH2 ARG 87 2HH1 ARG 87 9.974 13.578 -12.238 762 2HH2 ARG 87 1HH1 ARG 87 9.696 14.156 -13.846 763 H ARG 88 H ARG 88 3.704 7.377 -11.948 764 HA ARG 88 HA ARG 88 2.016 9.006 -13.464 765 1HB ARG 88 1HB ARG 88 1.309 6.830 -14.521 766 2HB ARG 88 2HB ARG 88 3.051 7.002 -14.433 767 1HG ARG 88 1HG ARG 88 3.131 5.583 -12.410 768 2HG ARG 88 2HG ARG 88 1.382 5.487 -12.372 769 1HD ARG 88 1HD ARG 88 2.885 4.597 -14.855 770 2HD ARG 88 2HD ARG 88 2.770 3.523 -13.475 771 HE ARG 88 HE ARG 88 0.426 3.318 -13.820 772 1HH1 ARG 88 2HH2 ARG 88 1.832 5.678 -16.019 773 2HH1 ARG 88 1HH2 ARG 88 0.434 5.750 -17.040 774 1HH2 ARG 88 2HH1 ARG 88 -1.419 3.413 -15.166 775 2HH2 ARG 88 1HH1 ARG 88 -1.427 4.453 -16.551 776 H PHE 89 H PHE 89 1.578 6.814 -10.669 777 HA PHE 89 HA PHE 89 -1.265 6.786 -10.853 778 1HB PHE 89 1HB PHE 89 0.980 5.825 -9.108 779 2HB PHE 89 2HB PHE 89 -0.502 6.141 -8.229 780 HD1 PHE 89 HD1 PHE 89 1.048 4.076 -10.841 781 HD2 PHE 89 HD2 PHE 89 -2.435 4.735 -8.508 782 HE1 PHE 89 HE1 PHE 89 0.157 1.836 -11.538 783 HE2 PHE 89 HE2 PHE 89 -3.326 2.495 -9.205 784 HZ PHE 89 HZ PHE 89 -2.019 1.072 -10.711 785 H TYR 90 H TYR 90 1.112 8.333 -8.571 786 HA TYR 90 HA TYR 90 -1.030 10.214 -7.849 787 1HB TYR 90 1HB TYR 90 1.581 9.833 -6.341 788 2HB TYR 90 2HB TYR 90 -0.006 10.182 -5.683 789 HD1 TYR 90 HD1 TYR 90 -1.794 8.188 -6.127 790 HD2 TYR 90 HD2 TYR 90 2.455 7.729 -5.925 791 HE1 TYR 90 HE1 TYR 90 -2.080 5.733 -5.533 792 HE2 TYR 90 HE2 TYR 90 2.154 5.275 -5.332 793 HH TYR 90 HH TYR 90 -1.086 3.833 -5.215 794 H ASP 91 H ASP 91 -0.457 12.474 -7.558 795 HA ASP 91 HA ASP 91 1.265 13.348 -9.586 796 1HB ASP 91 1HB ASP 91 0.398 15.150 -7.321 797 2HB ASP 91 2HB ASP 91 0.513 15.516 -9.031 798 H GLU 92 H GLU 92 3.300 14.563 -9.319 799 HA GLU 92 HA GLU 92 4.852 13.579 -7.170 800 1HB GLU 92 1HB GLU 92 5.426 14.326 -9.722 801 2HB GLU 92 2HB GLU 92 5.893 15.797 -8.893 802 1HG GLU 92 1HG GLU 92 6.836 13.256 -7.626 803 2HG GLU 92 2HG GLU 92 7.540 13.623 -9.188 804 H GLU 93 H GLU 93 3.278 16.678 -8.036 805 HA GLU 93 HA GLU 93 4.579 18.258 -6.183 806 1HB GLU 93 1HB GLU 93 2.564 18.580 -8.105 807 2HB GLU 93 2HB GLU 93 1.754 18.978 -6.603 808 1HG GLU 93 1HG GLU 93 3.044 20.862 -6.237 809 2HG GLU 93 2HG GLU 93 4.490 20.139 -6.912 810 H LYS 94 H LYS 94 1.388 16.529 -5.954 811 HA LYS 94 HA LYS 94 0.882 17.265 -3.314 812 1HB LYS 94 1HB LYS 94 -0.285 15.589 -5.348 813 2HB LYS 94 2HB LYS 94 -0.303 14.739 -3.816 814 1HG LYS 94 1HG LYS 94 -1.059 17.609 -3.611 815 2HG LYS 94 2HG LYS 94 -2.152 16.656 -4.594 816 1HD LYS 94 1HD LYS 94 -3.029 16.456 -2.390 817 2HD LYS 94 2HD LYS 94 -2.184 14.944 -2.652 818 1HE LYS 94 1HE LYS 94 -0.835 15.350 -0.875 819 2HE LYS 94 2HE LYS 94 -0.275 16.840 -1.608 820 1HZ LYS 94 1HZ LYS 94 -1.563 18.005 -0.266 821 2HZ LYS 94 2HZ LYS 94 -2.889 17.096 -0.554 822 3HZ LYS 94 3HZ LYS 94 -1.821 16.641 0.595 823 H GLU 95 H GLU 95 2.821 14.633 -4.764 824 HA GLU 95 HA GLU 95 3.101 13.174 -2.410 825 1HB GLU 95 1HB GLU 95 3.605 12.462 -4.836 826 2HB GLU 95 2HB GLU 95 5.131 13.309 -4.673 827 1HG GLU 95 1HG GLU 95 5.801 11.194 -3.984 828 2HG GLU 95 2HG GLU 95 5.339 11.865 -2.432 829 H LYS 96 H LYS 96 5.291 15.586 -4.024 830 HA LYS 96 HA LYS 96 7.185 15.552 -1.945 831 1HB LYS 96 1HB LYS 96 8.246 17.297 -3.122 832 2HB LYS 96 2HB LYS 96 7.525 16.274 -4.347 833 1HG LYS 96 1HG LYS 96 6.234 17.977 -5.112 834 2HG LYS 96 2HG LYS 96 5.587 18.277 -3.511 835 1HD LYS 96 1HD LYS 96 7.730 19.554 -2.967 836 2HD LYS 96 2HD LYS 96 8.201 19.373 -4.646 837 1HE LYS 96 1HE LYS 96 6.270 20.648 -5.413 838 2HE LYS 96 2HE LYS 96 5.550 20.635 -3.815 839 1HZ LYS 96 1HZ LYS 96 7.864 22.135 -4.747 840 2HZ LYS 96 2HZ LYS 96 6.569 22.659 -3.901 841 3HZ LYS 96 3HZ LYS 96 7.730 21.784 -3.158 842 H LYS 97 H LYS 97 3.991 16.821 -2.163 843 HA LYS 97 HA LYS 97 4.368 19.089 -0.502 844 1HB LYS 97 1HB LYS 97 2.225 17.811 -1.955 845 2HB LYS 97 2HB LYS 97 1.691 18.190 -0.331 846 1HG LYS 97 1HG LYS 97 3.017 20.509 -0.917 847 2HG LYS 97 2HG LYS 97 2.534 20.038 -2.534 848 1HD LYS 97 1HD LYS 97 0.410 19.810 -0.437 849 2HD LYS 97 2HD LYS 97 0.926 21.441 -0.815 850 1HE LYS 97 1HE LYS 97 0.670 20.213 -3.342 851 2HE LYS 97 2HE LYS 97 -0.683 19.576 -2.428 852 1HZ LYS 97 1HZ LYS 97 -0.436 22.087 -3.526 853 2HZ LYS 97 2HZ LYS 97 -1.673 21.514 -2.627 854 3HZ LYS 97 3HZ LYS 97 -0.437 22.303 -1.908 855 H TYR 98 H TYR 98 2.907 15.813 0.106 856 HA TYR 98 HA TYR 98 3.321 16.282 2.960 857 1HB TYR 98 1HB TYR 98 1.688 14.497 1.107 858 2HB TYR 98 2HB TYR 98 2.010 13.894 2.721 859 HD1 TYR 98 HD1 TYR 98 0.251 14.180 4.191 860 HD2 TYR 98 HD2 TYR 98 0.973 17.198 1.245 861 HE1 TYR 98 HE1 TYR 98 -1.714 15.528 5.080 862 HE2 TYR 98 HE2 TYR 98 -0.994 18.535 2.144 863 HH TYR 98 HH TYR 98 -3.060 17.216 4.687 864 H GLY 99 H GLY 99 3.882 13.726 0.435 865 1HA GLY 99 1HA GLY 99 6.266 12.962 0.429 866 2HA GLY 99 2HA GLY 99 6.059 12.689 2.148 867 H VAL 100 H VAL 100 5.803 10.552 2.608 868 HA VAL 100 HA VAL 100 3.824 9.076 1.078 869 HB VAL 100 HB VAL 100 6.515 7.834 1.553 870 1HG1 VAL 100 1HG1 VAL 100 4.361 7.311 -0.524 871 2HG1 VAL 100 2HG1 VAL 100 5.835 6.350 -0.252 872 3HG1 VAL 100 3HG1 VAL 100 4.566 6.407 0.995 873 1HG2 VAL 100 1HG2 VAL 100 6.896 9.927 0.268 874 2HG2 VAL 100 2HG2 VAL 100 7.251 8.459 -0.673 875 3HG2 VAL 100 3HG2 VAL 100 5.740 9.355 -0.958 876 H VAL 101 H VAL 101 2.979 7.239 2.252 877 HA VAL 101 HA VAL 101 3.901 7.053 5.020 878 HB VAL 101 HB VAL 101 2.105 8.587 5.168 879 1HG1 VAL 101 1HG1 VAL 101 1.211 7.867 2.822 880 2HG1 VAL 101 2HG1 VAL 101 0.185 6.749 3.752 881 3HG1 VAL 101 3HG1 VAL 101 0.076 8.503 4.036 882 1HG2 VAL 101 1HG2 VAL 101 1.735 7.290 6.995 883 2HG2 VAL 101 2HG2 VAL 101 0.231 6.895 6.128 884 3HG2 VAL 101 3HG2 VAL 101 1.623 5.788 6.046 885 H ALA 102 H ALA 102 4.645 4.988 5.103 886 HA ALA 102 HA ALA 102 3.394 2.969 3.468 887 1HB ALA 102 1HB ALA 102 5.341 1.815 3.790 888 2HB ALA 102 2HB ALA 102 5.953 3.420 4.255 889 3HB ALA 102 3HB ALA 102 5.447 2.263 5.509 890 H ILE 103 H ILE 103 1.336 2.491 4.215 891 HA ILE 103 HA ILE 103 0.990 2.085 7.068 892 HB ILE 103 HB ILE 103 -0.974 2.037 4.774 893 1HG1 ILE 103 1HG1 ILE 103 -1.329 4.194 6.648 894 2HG1 ILE 103 2HG1 ILE 103 0.320 4.213 6.055 895 1HG2 ILE 103 1HG2 ILE 103 -2.705 1.747 6.270 896 2HG2 ILE 103 2HG2 ILE 103 -1.451 0.686 6.956 897 3HG2 ILE 103 3HG2 ILE 103 -1.741 2.294 7.663 898 1HD1 ILE 103 1HD1 ILE 103 -2.119 3.991 4.235 899 2HD1 ILE 103 2HD1 ILE 103 -1.302 5.524 4.623 900 3HD1 ILE 103 3HD1 ILE 103 -0.431 4.251 3.735 901 H GLU 104 H GLU 104 1.068 0.126 8.039 902 HA GLU 104 HA GLU 104 1.572 -2.125 6.351 903 1HB GLU 104 1HB GLU 104 2.508 -1.385 8.811 904 2HB GLU 104 2HB GLU 104 1.247 -2.501 9.297 905 1HG GLU 104 1HG GLU 104 2.638 -3.717 7.096 906 2HG GLU 104 2HG GLU 104 3.858 -3.097 8.189 907 H ILE 105 H ILE 105 -0.163 -3.109 5.391 908 HA ILE 105 HA ILE 105 -2.640 -3.265 6.937 909 HB ILE 105 HB ILE 105 -3.787 -3.445 4.939 910 1HG1 ILE 105 1HG1 ILE 105 -2.428 -5.278 3.984 911 2HG1 ILE 105 2HG1 ILE 105 -2.875 -4.066 2.801 912 1HG2 ILE 105 1HG2 ILE 105 -2.791 -1.656 3.433 913 2HG2 ILE 105 2HG2 ILE 105 -3.070 -1.208 5.133 914 3HG2 ILE 105 3HG2 ILE 105 -1.426 -1.598 4.574 915 1HD1 ILE 105 1HD1 ILE 105 -0.172 -4.597 4.045 916 2HD1 ILE 105 2HD1 ILE 105 -0.597 -4.364 2.332 917 3HD1 ILE 105 3HD1 ILE 105 -0.548 -2.967 3.434 918 H GLU 106 H GLU 106 -3.885 -5.368 6.754 919 HA GLU 106 HA GLU 106 -2.090 -7.622 6.429 920 1HB GLU 106 1HB GLU 106 -2.037 -7.152 8.827 921 2HB GLU 106 2HB GLU 106 -3.785 -7.065 8.900 922 1HG GLU 106 1HG GLU 106 -2.517 -9.594 7.838 923 2HG GLU 106 2HG GLU 106 -2.482 -9.307 9.566 924 HA PRO 107 HA PRO 107 -5.947 -8.497 4.366 925 1HB PRO 107 1HB PRO 107 -4.877 -9.938 2.305 926 2HB PRO 107 2HB PRO 107 -5.123 -8.204 2.237 927 1HG PRO 107 1HG PRO 107 -2.603 -9.707 2.598 928 2HG PRO 107 2HG PRO 107 -2.826 -8.039 2.107 929 1HD PRO 107 1HD PRO 107 -2.013 -8.972 4.695 930 2HD PRO 107 2HD PRO 107 -2.348 -7.315 4.236 931 H LEU 108 H LEU 108 -6.981 -9.736 5.866 932 HA LEU 108 HA LEU 108 -5.914 -12.179 6.704 933 1HB LEU 108 1HB LEU 108 -8.853 -11.749 6.734 934 2HB LEU 108 2HB LEU 108 -7.788 -12.372 7.978 935 HG LEU 108 HG LEU 108 -6.938 -9.774 7.816 936 1HD1 LEU 108 1HD1 LEU 108 -9.509 -8.788 8.044 937 2HD1 LEU 108 2HD1 LEU 108 -8.413 -8.565 6.660 938 3HD1 LEU 108 3HD1 LEU 108 -9.612 -9.881 6.642 939 1HD2 LEU 108 1HD2 LEU 108 -9.247 -10.484 9.604 940 2HD2 LEU 108 2HD2 LEU 108 -7.678 -11.305 9.781 941 3HD2 LEU 108 3HD2 LEU 108 -7.782 -9.537 9.959 942 H GLU 109 H GLU 109 -5.202 -13.380 4.888 943 HA GLU 109 HA GLU 109 -7.256 -14.972 3.776 944 1HB GLU 109 1HB GLU 109 -7.060 -12.757 2.332 945 2HB GLU 109 2HB GLU 109 -5.621 -13.521 1.686 946 1HG GLU 109 1HG GLU 109 -7.168 -14.391 0.198 947 2HG GLU 109 2HG GLU 109 -7.270 -15.630 1.433 948 H TYR 110 H TYR 110 -5.264 -15.405 1.364 949 HA TYR 110 HA TYR 110 -3.637 -16.835 0.892 950 1HB TYR 110 1HB TYR 110 -2.058 -15.272 1.795 951 2HB TYR 110 2HB TYR 110 -2.765 -15.348 3.396 952 HD1 TYR 110 HD1 TYR 110 -0.284 -16.762 1.136 953 HD2 TYR 110 HD2 TYR 110 -2.230 -17.259 4.913 954 HE1 TYR 110 HE1 TYR 110 1.545 -18.366 1.875 955 HE2 TYR 110 HE2 TYR 110 -0.395 -18.862 5.639 956 HH TYR 110 HH TYR 110 1.302 -20.474 4.093
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