NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21788 | 2i7u | 15021 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 -8.646 -2.037 -2.185 2 H1 MET 1 1H MET 1 -7.641 -1.451 -0.218 3 HB2 MET 1 1HB MET 1 -10.869 -3.256 -0.546 4 HB3 MET 1 2HB MET 1 -10.482 -3.585 -2.230 5 HG2 MET 1 1HG MET 1 -8.167 -4.119 -0.688 6 HG3 MET 1 2HG MET 1 -9.541 -4.893 0.101 7 HE1 MET 1 3HE MET 1 -7.041 -6.983 -1.895 8 HE2 MET 1 1HE MET 1 -7.675 -6.565 -0.303 9 HE3 MET 1 2HE MET 1 -8.364 -7.919 -1.199 10 H LYS 2 H LYS 2 -9.118 0.443 -0.737 11 HA LYS 2 HA LYS 2 -11.627 1.218 -2.056 12 HB2 LYS 2 1HB LYS 2 -10.814 1.658 0.783 13 HB3 LYS 2 2HB LYS 2 -11.741 2.914 -0.026 14 HG2 LYS 2 1HG LYS 2 -12.616 0.040 0.113 15 HG3 LYS 2 2HG LYS 2 -13.085 1.266 1.293 16 HD2 LYS 2 1HD LYS 2 -14.188 2.559 -0.406 17 HD3 LYS 2 2HD LYS 2 -13.586 1.487 -1.673 18 HE2 LYS 2 1HE LYS 2 -15.918 1.006 -1.162 19 HE3 LYS 2 2HE LYS 2 -14.885 -0.357 -0.733 20 HZ1 LYS 2 3HZ LYS 2 -15.781 1.683 1.225 21 HZ2 LYS 2 1HZ LYS 2 -15.031 0.200 1.549 22 HZ3 LYS 2 2HZ LYS 2 -16.612 0.235 0.948 23 H LYS 3 H LYS 3 -11.776 3.596 -2.401 24 HA LYS 3 HA LYS 3 -9.112 4.685 -3.017 25 HB2 LYS 3 1HB LYS 3 -10.439 6.152 -4.640 26 HB3 LYS 3 2HB LYS 3 -10.275 4.449 -5.047 27 HG2 LYS 3 1HG LYS 3 -12.473 4.122 -4.993 28 HG3 LYS 3 2HG LYS 3 -12.646 4.981 -3.459 29 HD2 LYS 3 1HD LYS 3 -12.358 6.311 -6.153 30 HD3 LYS 3 2HD LYS 3 -13.893 6.037 -5.327 31 HE2 LYS 3 1HE LYS 3 -13.616 7.902 -4.156 32 HE3 LYS 3 2HE LYS 3 -12.096 7.289 -3.508 33 HZ1 LYS 3 3HZ LYS 3 -12.476 8.846 -6.005 34 HZ2 LYS 3 1HZ LYS 3 -11.015 8.113 -5.567 35 HZ3 LYS 3 2HZ LYS 3 -11.668 9.341 -4.603 36 H LEU 4 H LEU 4 -12.112 5.263 -1.370 37 HA LEU 4 HA LEU 4 -11.718 8.057 -0.930 38 HG LEU 4 HG LEU 4 -12.835 5.267 1.163 39 HB2 LEU 4 1HB LEU 4 -13.643 7.988 0.374 40 HB3 LEU 4 2HB LEU 4 -13.904 6.740 -0.842 41 HD11 LEU 4 1HD1 LEU 4 -13.960 7.725 2.356 42 HD12 LEU 4 2HD1 LEU 4 -12.708 6.639 2.956 43 HD13 LEU 4 3HD1 LEU 4 -14.408 6.197 3.115 44 HD21 LEU 4 3HD2 LEU 4 -15.433 5.057 1.781 45 HD22 LEU 4 1HD2 LEU 4 -14.729 4.359 0.322 46 HD23 LEU 4 2HD2 LEU 4 -15.570 5.908 0.241 47 H ARG 5 H ARG 5 -10.658 5.151 0.633 48 HA ARG 5 HA ARG 5 -10.121 6.081 3.204 49 HE ARG 5 HE ARG 5 -6.263 2.530 4.346 50 HB2 ARG 5 1HB ARG 5 -9.968 3.733 2.695 51 HB3 ARG 5 2HB ARG 5 -8.681 4.019 1.531 52 HG2 ARG 5 1HG ARG 5 -8.137 4.953 4.266 53 HG3 ARG 5 2HG ARG 5 -8.281 3.205 4.068 54 HD2 ARG 5 1HD ARG 5 -6.721 3.831 1.946 55 HD3 ARG 5 2HD ARG 5 -6.213 5.062 3.100 56 HH11 ARG 5 1HH1 ARG 5 -4.442 4.393 2.037 57 HH12 ARG 5 2HH1 ARG 5 -2.947 3.579 2.361 58 HH21 ARG 5 2HH2 ARG 5 -2.870 1.903 3.921 59 HH22 ARG 5 1HH2 ARG 5 -4.301 1.448 4.781 60 H GLU 6 H GLU 6 -7.915 5.942 0.404 61 HA GLU 6 HA GLU 6 -5.848 7.389 1.733 62 HB2 GLU 6 1HB GLU 6 -4.659 7.290 -0.322 63 HB3 GLU 6 2HB GLU 6 -5.527 5.768 -0.175 64 HG2 GLU 6 1HG GLU 6 -7.331 7.230 -1.549 65 HG3 GLU 6 2HG GLU 6 -5.824 7.936 -2.132 66 H GLU 7 H GLU 7 -8.591 8.258 -0.219 67 HA GLU 7 HA GLU 7 -7.755 10.857 -0.960 68 HB2 GLU 7 1HB GLU 7 -9.946 9.243 -1.488 69 HB3 GLU 7 2HB GLU 7 -10.631 10.578 -0.572 70 HG2 GLU 7 1HG GLU 7 -8.871 10.959 -2.977 71 HG3 GLU 7 2HG GLU 7 -10.628 10.855 -3.062 72 H ALA 8 H ALA 8 -10.024 9.808 1.587 73 HA ALA 8 HA ALA 8 -10.465 12.270 2.770 74 HB1 ALA 8 3HB ALA 8 -11.000 10.982 4.832 75 HB2 ALA 8 1HB ALA 8 -11.793 10.372 3.378 76 HB3 ALA 8 2HB ALA 8 -10.384 9.535 4.032 77 H ALA 9 H ALA 9 -7.933 9.890 3.519 78 HA ALA 9 HA ALA 9 -6.740 11.189 5.662 79 HB1 ALA 9 3HB ALA 9 -5.954 9.048 5.335 80 HB2 ALA 9 1HB ALA 9 -5.739 9.277 3.600 81 HB3 ALA 9 2HB ALA 9 -4.606 10.012 4.734 82 H LYS 10 H LYS 10 -6.474 11.803 2.227 83 HA LYS 10 HA LYS 10 -4.206 13.526 2.399 84 HB2 LYS 10 1HB LYS 10 -5.357 12.264 0.346 85 HB3 LYS 10 2HB LYS 10 -6.161 13.819 0.173 86 HG2 LYS 10 1HG LYS 10 -4.393 14.537 -0.945 87 HG3 LYS 10 2HG LYS 10 -3.456 14.415 0.546 88 HD2 LYS 10 1HD LYS 10 -2.783 12.177 0.013 89 HD3 LYS 10 2HD LYS 10 -3.878 12.125 -1.371 90 HE2 LYS 10 1HE LYS 10 -2.479 14.231 -2.119 91 HE3 LYS 10 2HE LYS 10 -1.265 13.521 -1.056 92 HZ1 LYS 10 3HZ LYS 10 -0.800 12.583 -3.100 93 HZ2 LYS 10 1HZ LYS 10 -2.429 12.414 -3.527 94 HZ3 LYS 10 2HZ LYS 10 -1.747 11.386 -2.371 95 H LEU 11 H LEU 11 -7.703 14.017 2.368 96 HA LEU 11 HA LEU 11 -7.714 16.810 2.163 97 HG LEU 11 HG LEU 11 -11.261 16.096 1.755 98 HB2 LEU 11 1HB LEU 11 -9.596 14.708 2.878 99 HB3 LEU 11 2HB LEU 11 -9.889 16.212 3.750 100 HD11 LEU 11 1HD1 LEU 11 -9.997 18.244 2.582 101 HD12 LEU 11 2HD1 LEU 11 -10.939 18.262 1.091 102 HD13 LEU 11 3HD1 LEU 11 -9.185 18.099 1.023 103 HD21 LEU 11 3HD2 LEU 11 -8.974 14.933 0.608 104 HD22 LEU 11 1HD2 LEU 11 -9.254 16.444 -0.259 105 HD23 LEU 11 2HD2 LEU 11 -10.535 15.235 -0.157 106 H PHE 12 H PHE 12 -7.174 14.688 4.882 107 HA PHE 12 HA PHE 12 -7.568 16.525 6.967 108 HD1 PHE 12 HD1 PHE 12 -8.992 14.203 6.468 109 HD2 PHE 12 HD2 PHE 12 -6.577 14.201 9.973 110 HE1 PHE 12 HE1 PHE 12 -10.922 13.445 7.792 111 HE2 PHE 12 HE2 PHE 12 -8.503 13.442 11.302 112 HZ PHE 12 HZ PHE 12 -10.679 13.061 10.212 113 HB2 PHE 12 1HB PHE 12 -6.204 13.918 6.649 114 HB3 PHE 12 2HB PHE 12 -5.661 14.908 7.999 115 H GLU 13 H GLU 13 -4.841 15.934 4.850 116 HA GLU 13 HA GLU 13 -2.949 17.457 6.335 117 HB2 GLU 13 1HB GLU 13 -2.570 15.684 4.464 118 HB3 GLU 13 2HB GLU 13 -2.765 17.045 3.370 119 HG2 GLU 13 1HG GLU 13 -0.727 17.823 3.799 120 HG3 GLU 13 2HG GLU 13 -0.913 17.603 5.538 121 H GLU 14 H GLU 14 -5.323 18.211 3.884 122 HA GLU 14 HA GLU 14 -4.429 20.658 2.964 123 HB2 GLU 14 1HB GLU 14 -6.663 19.182 2.563 124 HB3 GLU 14 2HB GLU 14 -7.325 20.493 3.528 125 HG2 GLU 14 1HG GLU 14 -7.266 21.898 1.818 126 HG3 GLU 14 2HG GLU 14 -5.590 21.492 1.450 127 H TRP 15 H TRP 15 -6.275 19.938 5.898 128 HA TRP 15 HA TRP 15 -6.706 22.585 6.722 129 HD1 TRP 15 HD1 TRP 15 -8.729 21.583 5.915 130 HE1 TRP 15 HE1 TRP 15 -10.661 19.909 5.618 131 HE3 TRP 15 HE3 TRP 15 -7.647 18.403 9.769 132 HZ2 TRP 15 HZ2 TRP 15 -11.603 17.552 6.855 133 HZ3 TRP 15 HZ3 TRP 15 -9.114 16.464 10.145 134 HH2 TRP 15 HH2 TRP 15 -11.052 16.049 8.717 135 HB2 TRP 15 1HB TRP 15 -6.327 20.218 8.560 136 HB3 TRP 15 2HB TRP 15 -7.262 21.678 8.869 137 H LYS 16 H LYS 16 -4.105 20.305 7.535 138 HA LYS 16 HA LYS 16 -2.708 22.067 9.251 139 HB2 LYS 16 1HB LYS 16 -2.302 19.695 9.379 140 HB3 LYS 16 2HB LYS 16 -1.794 19.643 7.696 141 HG2 LYS 16 1HG LYS 16 -0.282 21.448 9.482 142 HG3 LYS 16 2HG LYS 16 -0.079 19.713 9.737 143 HD2 LYS 16 1HD LYS 16 0.025 20.190 6.945 144 HD3 LYS 16 2HD LYS 16 1.077 21.370 7.728 145 HE2 LYS 16 1HE LYS 16 2.464 19.752 8.603 146 HE3 LYS 16 2HE LYS 16 1.212 18.511 8.569 147 HZ1 LYS 16 3HZ LYS 16 1.469 18.979 5.979 148 HZ2 LYS 16 1HZ LYS 16 2.403 17.828 6.796 149 HZ3 LYS 16 2HZ LYS 16 3.042 19.361 6.471 150 H LYS 17 H LYS 17 -2.798 21.684 5.803 151 HA LYS 17 HA LYS 17 -0.364 22.860 5.090 152 HB2 LYS 17 1HB LYS 17 -2.431 21.783 3.709 153 HB3 LYS 17 2HB LYS 17 -2.695 23.491 3.384 154 HG2 LYS 17 1HG LYS 17 -0.117 23.428 2.831 155 HG3 LYS 17 2HG LYS 17 -0.463 21.720 2.551 156 HD2 LYS 17 1HD LYS 17 -1.792 22.145 0.742 157 HD3 LYS 17 2HD LYS 17 -2.300 23.722 1.348 158 HE2 LYS 17 1HE LYS 17 -0.886 24.563 -0.168 159 HE3 LYS 17 2HE LYS 17 0.386 24.081 0.955 160 HZ1 LYS 17 3HZ LYS 17 -0.587 22.615 -1.428 161 HZ2 LYS 17 1HZ LYS 17 0.376 21.885 -0.242 162 HZ3 LYS 17 2HZ LYS 17 0.973 23.197 -1.126 163 H LEU 18 H LEU 18 -3.564 24.365 5.503 164 HA LEU 18 HA LEU 18 -2.576 27.013 5.084 165 HG LEU 18 HG LEU 18 -4.669 25.631 3.744 166 HB2 LEU 18 1HB LEU 18 -5.162 26.026 6.278 167 HB3 LEU 18 2HB LEU 18 -4.813 27.710 5.890 168 HD11 LEU 18 1HD1 LEU 18 -6.818 25.122 3.957 169 HD12 LEU 18 2HD1 LEU 18 -7.195 26.802 3.577 170 HD13 LEU 18 3HD1 LEU 18 -7.028 26.294 5.256 171 HD21 LEU 18 3HD2 LEU 18 -3.929 27.649 2.924 172 HD22 LEU 18 1HD2 LEU 18 -5.020 28.588 3.943 173 HD23 LEU 18 2HD2 LEU 18 -5.647 27.730 2.536 174 H ALA 19 H ALA 19 -3.066 24.953 7.860 175 HA ALA 19 HA ALA 19 -2.925 26.944 9.862 176 HB1 ALA 19 3HB ALA 19 -3.541 24.341 9.904 177 HB2 ALA 19 1HB ALA 19 -1.878 24.251 10.485 178 HB3 ALA 19 2HB ALA 19 -3.061 25.238 11.344 179 H GLU 20 H GLU 20 -0.465 24.947 8.287 180 HA GLU 20 HA GLU 20 1.700 25.763 9.906 181 HB2 GLU 20 1HB GLU 20 1.909 23.772 8.583 182 HB3 GLU 20 2HB GLU 20 1.598 24.661 7.099 183 HG2 GLU 20 1HG GLU 20 3.851 25.783 8.480 184 HG3 GLU 20 2HG GLU 20 4.072 24.051 8.237 185 H GLU 21 H GLU 21 0.439 26.969 6.824 186 HA GLU 21 HA GLU 21 2.452 28.923 6.429 187 HB2 GLU 21 1HB GLU 21 0.231 27.967 5.005 188 HB3 GLU 21 2HB GLU 21 -0.080 29.677 5.258 189 HG2 GLU 21 1HG GLU 21 1.264 30.149 3.574 190 HG3 GLU 21 2HG GLU 21 2.612 29.456 4.473 191 H ALA 22 H ALA 22 -0.564 28.890 8.193 192 HA ALA 22 HA ALA 22 -0.757 31.712 8.555 193 HB1 ALA 22 3HB ALA 22 -1.994 29.538 10.236 194 HB2 ALA 22 1HB ALA 22 -2.505 31.222 10.132 195 HB3 ALA 22 2HB ALA 22 -2.680 30.159 8.735 196 H ALA 23 H ALA 23 0.811 29.104 10.283 197 HA ALA 23 HA ALA 23 1.263 30.296 12.749 198 HB1 ALA 23 3HB ALA 23 1.772 27.928 12.125 199 HB2 ALA 23 1HB ALA 23 3.222 28.515 11.311 200 HB3 ALA 23 2HB ALA 23 3.039 28.731 13.052 201 H LYS 24 H LYS 24 2.831 30.832 9.672 202 HA LYS 24 HA LYS 24 5.065 32.274 10.719 203 HB2 LYS 24 1HB LYS 24 3.883 32.175 7.939 204 HB3 LYS 24 2HB LYS 24 5.398 32.971 8.346 205 HG2 LYS 24 1HG LYS 24 6.449 30.928 8.867 206 HG3 LYS 24 2HG LYS 24 4.914 30.057 8.885 207 HD2 LYS 24 1HD LYS 24 4.764 30.002 6.589 208 HD3 LYS 24 2HD LYS 24 5.764 31.442 6.384 209 HE2 LYS 24 1HE LYS 24 7.701 30.059 7.232 210 HE3 LYS 24 2HE LYS 24 6.651 28.651 7.079 211 HZ1 LYS 24 3HZ LYS 24 6.914 28.617 4.881 212 HZ2 LYS 24 1HZ LYS 24 8.227 29.656 5.121 213 HZ3 LYS 24 2HZ LYS 24 6.710 30.288 4.721 214 H LEU 25 H LEU 25 1.837 33.109 9.662 215 HA LEU 25 HA LEU 25 2.300 35.931 9.562 216 HG LEU 25 HG LEU 25 1.335 35.422 7.419 217 HB2 LEU 25 1HB LEU 25 -0.020 34.117 9.311 218 HB3 LEU 25 2HB LEU 25 -0.364 35.766 9.826 219 HD11 LEU 25 1HD1 LEU 25 -1.229 35.469 6.393 220 HD12 LEU 25 2HD1 LEU 25 -1.308 34.254 7.670 221 HD13 LEU 25 3HD1 LEU 25 -0.119 34.098 6.377 222 HD21 LEU 25 3HD2 LEU 25 -0.999 37.254 7.910 223 HD22 LEU 25 1HD2 LEU 25 0.317 37.441 6.751 224 HD23 LEU 25 2HD2 LEU 25 0.632 37.615 8.477 225 H LEU 26 H LEU 26 1.282 33.648 11.999 226 HA LEU 26 HA LEU 26 0.333 35.606 13.856 227 HG LEU 26 HG LEU 26 -1.381 34.569 14.745 228 HB2 LEU 26 1HB LEU 26 0.700 32.703 13.782 229 HB3 LEU 26 2HB LEU 26 0.965 33.417 15.370 230 HD11 LEU 26 1HD1 LEU 26 -1.132 32.155 13.045 231 HD12 LEU 26 2HD1 LEU 26 -2.033 33.647 12.776 232 HD13 LEU 26 3HD1 LEU 26 -2.669 32.417 13.868 233 HD21 LEU 26 3HD2 LEU 26 -1.504 31.783 15.783 234 HD22 LEU 26 1HD2 LEU 26 -2.269 33.252 16.389 235 HD23 LEU 26 2HD2 LEU 26 -0.550 32.974 16.669 236 H GLU 27 H GLU 27 3.412 34.140 13.139 237 HA GLU 27 HA GLU 27 4.632 35.243 15.546 238 HB2 GLU 27 1HB GLU 27 6.573 33.995 14.985 239 HB3 GLU 27 2HB GLU 27 5.199 32.947 14.664 240 HG2 GLU 27 1HG GLU 27 5.353 33.536 12.272 241 HG3 GLU 27 2HG GLU 27 6.794 34.485 12.629 242 H GLY 28 H GLY 28 4.346 35.894 12.147 243 HA2 GLY 28 1HA GLY 28 4.676 38.149 11.363 244 HA3 GLY 28 2HA GLY 28 5.971 38.320 12.538 245 H GLY 29 H GLY 29 7.709 36.445 12.179 246 HA2 GLY 29 1HA GLY 29 8.293 35.325 9.760 247 HA3 GLY 29 2HA GLY 29 8.813 36.995 9.582 248 H GLY 30 H GLY 30 9.751 37.458 12.190 249 HA2 GLY 30 1HA GLY 30 12.167 35.776 12.130 250 HA3 GLY 30 2HA GLY 30 12.077 37.403 12.788 251 H GLY 31 H GLY 31 10.114 34.476 13.325 252 HA2 GLY 31 1HA GLY 31 10.013 34.987 16.150 253 HA3 GLY 31 2HA GLY 31 9.330 33.599 15.315 254 H GLY 32 H GLY 32 10.258 32.749 17.490 255 HA2 GLY 32 1HA GLY 32 11.923 30.786 17.372 256 HA3 GLY 32 2HA GLY 32 13.105 32.070 17.169 257 H GLY 33 H GLY 33 12.918 33.837 18.932 258 HA2 GLY 33 1HA GLY 33 13.573 32.686 21.391 259 HA3 GLY 33 2HA GLY 33 13.174 34.380 21.146 260 H GLY 34 H GLY 34 11.047 35.095 21.488 261 HA2 GLY 34 1HA GLY 34 9.449 33.227 23.118 262 HA3 GLY 34 2HA GLY 34 9.433 34.976 23.287 263 H GLY 35 H GLY 35 8.770 32.474 20.832 264 HA2 GLY 35 1HA GLY 35 6.561 34.174 19.862 265 HA3 GLY 35 2HA GLY 35 7.411 32.986 18.885 266 H GLU 36 H GLU 36 5.323 33.289 21.741 267 HA GLU 36 HA GLU 36 4.601 30.539 21.793 268 HB2 GLU 36 1HB GLU 36 4.395 31.807 23.813 269 HB3 GLU 36 2HB GLU 36 3.356 32.991 23.033 270 HG2 GLU 36 1HG GLU 36 1.598 31.334 22.805 271 HG3 GLU 36 2HG GLU 36 2.640 30.110 23.526 272 H LEU 37 H LEU 37 3.313 33.375 20.204 273 HA LEU 37 HA LEU 37 0.766 32.507 19.536 274 HG LEU 37 HG LEU 37 1.839 35.128 20.199 275 HB2 LEU 37 1HB LEU 37 2.695 34.221 17.984 276 HB3 LEU 37 2HB LEU 37 1.005 33.998 17.538 277 HD11 LEU 37 1HD1 LEU 37 2.053 37.212 19.371 278 HD12 LEU 37 2HD1 LEU 37 0.857 36.950 18.102 279 HD13 LEU 37 3HD1 LEU 37 2.503 36.353 17.899 280 HD21 LEU 37 3HD2 LEU 37 -0.457 36.079 20.090 281 HD22 LEU 37 1HD2 LEU 37 -0.417 34.318 20.147 282 HD23 LEU 37 2HD2 LEU 37 -0.729 35.143 18.620 283 H MET 38 H MET 38 3.863 31.653 18.152 284 HA MET 38 HA MET 38 2.782 30.357 15.840 285 HB2 MET 38 1HB MET 38 5.086 31.275 15.930 286 HB3 MET 38 2HB MET 38 5.509 30.036 17.106 287 HG2 MET 38 1HG MET 38 4.444 28.582 15.034 288 HG3 MET 38 2HG MET 38 5.307 29.879 14.211 289 HE1 MET 38 3HE MET 38 7.604 30.688 15.382 290 HE2 MET 38 1HE MET 38 8.919 29.515 15.466 291 HE3 MET 38 2HE MET 38 8.087 29.800 13.938 292 H LYS 39 H LYS 39 3.544 29.413 19.106 293 HA LYS 39 HA LYS 39 3.462 26.591 18.626 294 HB2 LYS 39 1HB LYS 39 4.709 27.363 20.518 295 HB3 LYS 39 2HB LYS 39 3.325 28.247 21.147 296 HG2 LYS 39 1HG LYS 39 2.689 25.458 20.831 297 HG3 LYS 39 2HG LYS 39 4.137 25.668 21.818 298 HD2 LYS 39 1HD LYS 39 2.706 27.504 23.008 299 HD3 LYS 39 2HD LYS 39 1.348 26.618 22.311 300 HE2 LYS 39 1HE LYS 39 1.891 24.654 23.487 301 HE3 LYS 39 2HE LYS 39 3.502 25.244 23.891 302 HZ1 LYS 39 3HZ LYS 39 2.725 26.467 25.606 303 HZ2 LYS 39 1HZ LYS 39 1.491 25.310 25.594 304 HZ3 LYS 39 2HZ LYS 39 1.246 26.814 24.861 305 H LEU 40 H LEU 40 1.141 29.045 19.577 306 HA LEU 40 HA LEU 40 -0.929 27.349 20.432 307 HG LEU 40 HG LEU 40 -1.686 28.691 21.941 308 HB2 LEU 40 1HB LEU 40 -0.563 30.138 19.884 309 HB3 LEU 40 2HB LEU 40 -2.094 29.596 19.198 310 HD11 LEU 40 1HD1 LEU 40 -2.406 31.236 22.530 311 HD12 LEU 40 2HD1 LEU 40 -1.212 31.506 21.262 312 HD13 LEU 40 3HD1 LEU 40 -0.774 30.593 22.705 313 HD21 LEU 40 3HD2 LEU 40 -3.846 30.226 20.502 314 HD22 LEU 40 1HD2 LEU 40 -3.965 29.636 22.161 315 HD23 LEU 40 2HD2 LEU 40 -3.811 28.492 20.826 316 H CYS 41 H CYS 41 -0.151 28.676 17.241 317 HA CYS 41 HA CYS 41 -2.412 27.592 15.920 318 HG CYS 41 HG CYS 41 -1.867 29.172 12.593 319 HB2 CYS 41 1HB CYS 41 -0.151 29.190 15.231 320 HB3 CYS 41 2HB CYS 41 -0.249 27.857 14.087 321 H GLU 42 H GLU 42 0.956 26.495 16.207 322 HA GLU 42 HA GLU 42 0.757 24.219 14.605 323 HB2 GLU 42 1HB GLU 42 2.871 25.218 15.515 324 HB3 GLU 42 2HB GLU 42 2.474 24.510 17.074 325 HG2 GLU 42 1HG GLU 42 3.148 22.472 16.459 326 HG3 GLU 42 2HG GLU 42 2.422 22.606 14.858 327 H GLU 43 H GLU 43 -0.219 24.784 17.912 328 HA GLU 43 HA GLU 43 -0.475 22.157 18.811 329 HB2 GLU 43 1HB GLU 43 -0.707 24.257 20.185 330 HB3 GLU 43 2HB GLU 43 -2.324 24.437 19.518 331 HG2 GLU 43 1HG GLU 43 -2.998 23.275 21.287 332 HG3 GLU 43 2HG GLU 43 -2.364 21.866 20.440 333 H ALA 44 H ALA 44 -2.671 24.150 16.906 334 HA ALA 44 HA ALA 44 -4.899 22.430 16.977 335 HB1 ALA 44 3HB ALA 44 -5.095 23.704 14.553 336 HB2 ALA 44 1HB ALA 44 -5.675 24.329 16.097 337 HB3 ALA 44 2HB ALA 44 -4.087 24.803 15.495 338 H ALA 45 H ALA 45 -2.239 22.728 14.640 339 HA ALA 45 HA ALA 45 -3.171 20.688 12.906 340 HB1 ALA 45 3HB ALA 45 -0.439 21.903 13.269 341 HB2 ALA 45 1HB ALA 45 -0.844 20.748 11.999 342 HB3 ALA 45 2HB ALA 45 -1.648 22.318 12.054 343 H LYS 46 H LYS 46 -1.265 20.681 15.821 344 HA LYS 46 HA LYS 46 -0.084 18.132 15.544 345 HB2 LYS 46 1HB LYS 46 0.351 20.080 17.259 346 HB3 LYS 46 2HB LYS 46 -0.841 19.222 18.227 347 HG2 LYS 46 1HG LYS 46 0.508 17.314 18.401 348 HG3 LYS 46 2HG LYS 46 1.565 17.840 17.089 349 HD2 LYS 46 1HD LYS 46 1.540 19.842 19.127 350 HD3 LYS 46 2HD LYS 46 1.875 18.273 19.865 351 HE2 LYS 46 1HE LYS 46 3.308 19.050 17.366 352 HE3 LYS 46 2HE LYS 46 3.819 19.748 18.902 353 HZ1 LYS 46 3HZ LYS 46 3.532 17.057 19.382 354 HZ2 LYS 46 1HZ LYS 46 4.986 17.904 19.210 355 HZ3 LYS 46 2HZ LYS 46 4.288 17.142 17.871 356 H LYS 47 H LYS 47 -3.216 19.200 16.690 357 HA LYS 47 HA LYS 47 -4.032 16.835 17.970 358 HB2 LYS 47 1HB LYS 47 -5.175 19.342 17.317 359 HB3 LYS 47 2HB LYS 47 -6.261 18.107 16.691 360 HG2 LYS 47 1HG LYS 47 -7.025 18.549 18.854 361 HG3 LYS 47 2HG LYS 47 -6.120 17.039 18.995 362 HD2 LYS 47 1HD LYS 47 -4.267 19.119 19.394 363 HD3 LYS 47 2HD LYS 47 -5.698 19.540 20.337 364 HE2 LYS 47 1HE LYS 47 -4.524 16.783 20.443 365 HE3 LYS 47 2HE LYS 47 -3.876 18.087 21.437 366 HZ1 LYS 47 3HZ LYS 47 -5.433 17.399 22.876 367 HZ2 LYS 47 1HZ LYS 47 -6.366 16.635 21.689 368 HZ3 LYS 47 2HZ LYS 47 -6.495 18.305 21.920 369 H ALA 48 H ALA 48 -4.160 17.850 14.601 370 HA ALA 48 HA ALA 48 -5.806 15.797 13.621 371 HB1 ALA 48 3HB ALA 48 -5.488 17.588 12.168 372 HB2 ALA 48 1HB ALA 48 -3.733 17.552 12.353 373 HB3 ALA 48 2HB ALA 48 -4.550 16.289 11.432 374 H GLU 49 H GLU 49 -2.426 15.867 14.465 375 HA GLU 49 HA GLU 49 -1.719 13.467 13.077 376 HB2 GLU 49 1HB GLU 49 -0.394 15.418 14.802 377 HB3 GLU 49 2HB GLU 49 0.146 13.770 15.092 378 HG2 GLU 49 1HG GLU 49 0.692 13.523 12.731 379 HG3 GLU 49 2HG GLU 49 0.132 15.165 12.425 380 H GLU 50 H GLU 50 -2.882 14.258 16.285 381 HA GLU 50 HA GLU 50 -2.359 11.681 17.412 382 HB2 GLU 50 1HB GLU 50 -2.678 13.918 18.646 383 HB3 GLU 50 2HB GLU 50 -4.402 13.638 18.441 384 HG2 GLU 50 1HG GLU 50 -4.268 11.593 19.701 385 HG3 GLU 50 2HG GLU 50 -2.515 11.735 19.811 386 H LEU 51 H LEU 51 -5.024 13.167 15.711 387 HA LEU 51 HA LEU 51 -6.942 11.147 16.356 388 HG LEU 51 HG LEU 51 -9.260 13.732 15.279 389 HB2 LEU 51 1HB LEU 51 -6.873 13.626 14.901 390 HB3 LEU 51 2HB LEU 51 -7.699 12.387 13.958 391 HD11 LEU 51 1HD1 LEU 51 -9.018 10.884 16.237 392 HD12 LEU 51 2HD1 LEU 51 -9.821 11.418 14.762 393 HD13 LEU 51 3HD1 LEU 51 -10.464 11.890 16.335 394 HD21 LEU 51 3HD2 LEU 51 -8.813 14.347 17.362 395 HD22 LEU 51 1HD2 LEU 51 -7.290 13.461 17.281 396 HD23 LEU 51 2HD2 LEU 51 -8.746 12.660 17.873 397 H PHE 52 H PHE 52 -4.647 11.684 13.758 398 HA PHE 52 HA PHE 52 -5.577 9.861 11.880 399 HD1 PHE 52 HD1 PHE 52 -3.803 8.711 9.802 400 HD2 PHE 52 HD2 PHE 52 -3.796 12.879 10.662 401 HE1 PHE 52 HE1 PHE 52 -4.211 9.198 7.424 402 HE2 PHE 52 HE2 PHE 52 -4.205 13.373 8.286 403 HZ PHE 52 HZ PHE 52 -4.414 11.532 6.664 404 HB2 PHE 52 1HB PHE 52 -3.195 11.374 12.317 405 HB3 PHE 52 2HB PHE 52 -2.735 9.727 11.900 406 H LYS 53 H LYS 53 -3.771 9.342 14.834 407 HA LYS 53 HA LYS 53 -2.914 6.713 14.389 408 HB2 LYS 53 1HB LYS 53 -2.676 8.528 16.432 409 HB3 LYS 53 2HB LYS 53 -3.726 7.312 17.148 410 HG2 LYS 53 1HG LYS 53 -1.974 6.027 17.547 411 HG3 LYS 53 2HG LYS 53 -1.613 5.966 15.820 412 HD2 LYS 53 1HD LYS 53 -0.373 8.098 16.048 413 HD3 LYS 53 2HD LYS 53 -0.667 8.050 17.787 414 HE2 LYS 53 1HE LYS 53 1.505 7.178 17.467 415 HE3 LYS 53 2HE LYS 53 0.465 5.791 17.787 416 HZ1 LYS 53 3HZ LYS 53 0.954 6.604 15.006 417 HZ2 LYS 53 1HZ LYS 53 0.605 5.071 15.631 418 HZ3 LYS 53 2HZ LYS 53 2.148 5.734 15.830 419 H LEU 54 H LEU 54 -5.912 7.949 15.830 420 HA LEU 54 HA LEU 54 -6.992 5.341 16.304 421 HG LEU 54 HG LEU 54 -8.862 5.405 17.828 422 HB2 LEU 54 1HB LEU 54 -7.647 8.018 16.967 423 HB3 LEU 54 2HB LEU 54 -9.043 7.312 16.156 424 HD11 LEU 54 1HD1 LEU 54 -6.544 5.953 18.532 425 HD12 LEU 54 2HD1 LEU 54 -7.680 5.803 19.873 426 HD13 LEU 54 3HD1 LEU 54 -7.171 7.400 19.323 427 HD21 LEU 54 3HD2 LEU 54 -10.591 7.118 17.948 428 HD22 LEU 54 1HD2 LEU 54 -9.497 8.176 18.837 429 HD23 LEU 54 2HD2 LEU 54 -10.043 6.664 19.562 430 H ALA 55 H ALA 55 -7.615 7.893 13.909 431 HA ALA 55 HA ALA 55 -9.641 6.618 12.483 432 HB1 ALA 55 3HB ALA 55 -8.125 8.058 10.609 433 HB2 ALA 55 1HB ALA 55 -9.566 8.592 11.476 434 HB3 ALA 55 2HB ALA 55 -7.965 8.917 12.141 435 H GLU 56 H GLU 56 -6.231 6.027 12.549 436 HA GLU 56 HA GLU 56 -5.819 4.805 10.086 437 HB2 GLU 56 1HB GLU 56 -4.078 5.365 11.831 438 HB3 GLU 56 2HB GLU 56 -4.571 3.907 12.683 439 HG2 GLU 56 1HG GLU 56 -3.984 3.420 9.881 440 HG3 GLU 56 2HG GLU 56 -2.613 4.090 10.763 441 H GLU 57 H GLU 57 -6.762 3.288 13.168 442 HA GLU 57 HA GLU 57 -7.147 0.716 11.988 443 HB2 GLU 57 1HB GLU 57 -7.004 1.766 14.598 444 HB3 GLU 57 2HB GLU 57 -8.598 1.039 14.454 445 HG2 GLU 57 1HG GLU 57 -7.764 -1.076 14.163 446 HG3 GLU 57 2HG GLU 57 -6.224 -0.498 13.530 447 H ARG 58 H ARG 58 -9.129 3.516 12.486 448 HA ARG 58 HA ARG 58 -11.663 2.268 12.291 449 HE ARG 58 HE ARG 58 -12.104 5.053 16.082 450 HB2 ARG 58 1HB ARG 58 -10.828 5.102 11.647 451 HB3 ARG 58 2HB ARG 58 -12.492 4.549 11.774 452 HG2 ARG 58 1HG ARG 58 -10.549 4.272 14.042 453 HG3 ARG 58 2HG ARG 58 -11.497 5.739 13.785 454 HD2 ARG 58 1HD ARG 58 -13.558 4.413 13.899 455 HD3 ARG 58 2HD ARG 58 -12.600 2.959 14.177 456 HH11 ARG 58 1HH1 ARG 58 -14.120 2.331 15.277 457 HH12 ARG 58 2HH1 ARG 58 -14.598 2.036 16.916 458 HH21 ARG 58 2HH2 ARG 58 -13.807 3.370 18.602 459 HH22 ARG 58 1HH2 ARG 58 -12.727 4.674 18.242 460 H LEU 59 H LEU 59 -9.361 3.438 9.925 461 HA LEU 59 HA LEU 59 -11.234 2.856 7.748 462 HG LEU 59 HG LEU 59 -11.185 4.895 6.230 463 HB2 LEU 59 1HB LEU 59 -8.809 4.521 8.046 464 HB3 LEU 59 2HB LEU 59 -9.058 3.763 6.475 465 HD11 LEU 59 1HD1 LEU 59 -12.281 5.314 8.135 466 HD12 LEU 59 2HD1 LEU 59 -11.349 6.812 8.160 467 HD13 LEU 59 3HD1 LEU 59 -10.796 5.414 9.082 468 HD21 LEU 59 3HD2 LEU 59 -8.882 6.670 7.012 469 HD22 LEU 59 1HD2 LEU 59 -10.353 7.260 6.237 470 HD23 LEU 59 2HD2 LEU 59 -9.316 6.108 5.397 471 H LYS 60 H LYS 60 -8.364 1.683 9.286 472 HA LYS 60 HA LYS 60 -7.892 -0.244 7.130 473 HB2 LYS 60 1HB LYS 60 -6.045 1.176 8.301 474 HB3 LYS 60 2HB LYS 60 -6.192 -0.009 9.592 475 HG2 LYS 60 1HG LYS 60 -5.417 -1.747 8.251 476 HG3 LYS 60 2HG LYS 60 -5.735 -0.861 6.758 477 HD2 LYS 60 1HD LYS 60 -3.938 0.705 7.303 478 HD3 LYS 60 2HD LYS 60 -3.629 -0.166 8.806 479 HE2 LYS 60 1HE LYS 60 -3.157 -2.201 7.440 480 HE3 LYS 60 2HE LYS 60 -3.294 -1.201 5.994 481 HZ1 LYS 60 3HZ LYS 60 -1.477 -0.246 8.056 482 HZ2 LYS 60 1HZ LYS 60 -1.313 -0.224 6.372 483 HZ3 LYS 60 2HZ LYS 60 -0.999 -1.644 7.234 484 H LYS 61 H LYS 61 -9.416 -1.811 7.373 485 HA LYS 61 HA LYS 61 -10.288 -2.847 9.855 486 HB2 LYS 61 1HB LYS 61 -11.531 -3.005 7.680 487 HB3 LYS 61 2HB LYS 61 -10.375 -4.228 7.167 488 HG2 LYS 61 1HG LYS 61 -11.062 -5.668 9.009 489 HG3 LYS 61 2HG LYS 61 -12.207 -4.437 9.550 490 HD2 LYS 61 1HD LYS 61 -13.527 -4.681 7.591 491 HD3 LYS 61 2HD LYS 61 -12.286 -5.656 6.797 492 HE2 LYS 61 1HE LYS 61 -13.629 -6.526 9.341 493 HE3 LYS 61 2HE LYS 61 -14.306 -6.884 7.753 494 HZ1 LYS 61 3HZ LYS 61 -11.750 -7.819 8.908 495 HZ2 LYS 61 1HZ LYS 61 -12.044 -7.877 7.243 496 HZ3 LYS 61 2HZ LYS 61 -13.033 -8.743 8.306 497 H LEU 62 H LEU 62 -9.381 -4.270 11.187 498 HA LEU 62 HA LEU 62 -6.810 -5.381 10.599 499 HG LEU 62 HG LEU 62 -7.135 -3.562 12.414 500 HB2 LEU 62 1HB LEU 62 -8.629 -5.993 12.922 501 HB3 LEU 62 2HB LEU 62 -6.896 -6.301 12.825 502 HD11 LEU 62 1HD1 LEU 62 -9.338 -3.335 13.130 503 HD12 LEU 62 2HD1 LEU 62 -8.391 -2.969 14.572 504 HD13 LEU 62 3HD1 LEU 62 -9.155 -4.550 14.396 505 HD21 LEU 62 3HD2 LEU 62 -6.569 -4.972 15.017 506 HD22 LEU 62 1HD2 LEU 62 -5.991 -3.385 14.510 507 HD23 LEU 62 2HD2 LEU 62 -5.415 -4.836 13.689 508 HA MET 1 HA MET 1 -6.270 49.661 12.339 509 H1 MET 1 1H MET 1 -5.140 50.256 10.285 510 HB2 MET 1 1HB MET 1 -8.486 48.577 12.198 511 HB3 MET 1 2HB MET 1 -8.497 50.213 11.553 512 HG2 MET 1 1HG MET 1 -8.869 49.524 9.420 513 HG3 MET 1 2HG MET 1 -8.027 47.992 9.651 514 HE1 MET 1 3HE MET 1 -11.921 47.417 8.634 515 HE2 MET 1 1HE MET 1 -10.892 48.787 8.214 516 HE3 MET 1 2HE MET 1 -10.276 47.141 8.058 517 H LYS 2 H LYS 2 -6.640 47.423 13.191 518 HA LYS 2 HA LYS 2 -6.000 45.251 13.396 519 HB2 LYS 2 1HB LYS 2 -7.471 45.099 11.311 520 HB3 LYS 2 2HB LYS 2 -5.974 45.091 10.386 521 HG2 LYS 2 1HG LYS 2 -5.393 42.995 11.077 522 HG3 LYS 2 2HG LYS 2 -6.274 43.132 12.600 523 HD2 LYS 2 1HD LYS 2 -7.441 41.566 11.227 524 HD3 LYS 2 2HD LYS 2 -8.400 43.047 11.278 525 HE2 LYS 2 1HE LYS 2 -8.031 43.521 9.085 526 HE3 LYS 2 2HE LYS 2 -6.425 42.795 9.086 527 HZ1 LYS 2 3HZ LYS 2 -8.930 41.211 9.203 528 HZ2 LYS 2 1HZ LYS 2 -7.361 40.637 8.935 529 HZ3 LYS 2 2HZ LYS 2 -8.129 41.579 7.759 530 H LYS 3 H LYS 3 -4.193 43.741 12.997 531 HA LYS 3 HA LYS 3 -1.854 44.852 11.679 532 HB2 LYS 3 1HB LYS 3 -2.066 44.461 14.651 533 HB3 LYS 3 2HB LYS 3 -0.512 44.336 13.838 534 HG2 LYS 3 1HG LYS 3 -0.373 46.528 14.243 535 HG3 LYS 3 2HG LYS 3 -1.436 46.685 12.843 536 HD2 LYS 3 1HD LYS 3 -2.378 47.994 14.596 537 HD3 LYS 3 2HD LYS 3 -3.381 46.551 14.424 538 HE2 LYS 3 1HE LYS 3 -2.839 45.780 16.469 539 HE3 LYS 3 2HE LYS 3 -1.159 46.294 16.328 540 HZ1 LYS 3 3HZ LYS 3 -3.079 47.475 17.863 541 HZ2 LYS 3 1HZ LYS 3 -2.954 48.508 16.528 542 HZ3 LYS 3 2HZ LYS 3 -1.583 48.148 17.450 543 H LEU 4 H LEU 4 -3.121 42.253 13.741 544 HA LEU 4 HA LEU 4 -2.528 40.201 11.942 545 HG LEU 4 HG LEU 4 -0.858 41.457 14.886 546 HB2 LEU 4 1HB LEU 4 -0.682 39.110 13.295 547 HB3 LEU 4 2HB LEU 4 -0.233 40.483 12.287 548 HD11 LEU 4 1HD1 LEU 4 1.432 39.619 15.182 549 HD12 LEU 4 2HD1 LEU 4 -0.173 38.889 15.230 550 HD13 LEU 4 3HD1 LEU 4 0.248 40.167 16.370 551 HD21 LEU 4 3HD2 LEU 4 1.686 41.207 13.290 552 HD22 LEU 4 1HD2 LEU 4 1.553 42.111 14.799 553 HD23 LEU 4 2HD2 LEU 4 0.610 42.603 13.392 554 H ARG 5 H ARG 5 -2.839 41.129 15.326 555 HA ARG 5 HA ARG 5 -3.560 38.718 16.465 556 HE ARG 5 HE ARG 5 -0.512 39.048 19.345 557 HB2 ARG 5 1HB ARG 5 -3.941 41.552 17.097 558 HB3 ARG 5 2HB ARG 5 -5.206 40.517 17.746 559 HG2 ARG 5 1HG ARG 5 -3.405 40.852 19.351 560 HG3 ARG 5 2HG ARG 5 -3.539 39.158 18.878 561 HD2 ARG 5 1HD ARG 5 -1.658 39.371 17.394 562 HD3 ARG 5 2HD ARG 5 -1.584 41.110 17.672 563 HH11 ARG 5 1HH1 ARG 5 -1.775 42.291 19.294 564 HH12 ARG 5 2HH1 ARG 5 -0.931 42.784 20.724 565 HH21 ARG 5 2HH2 ARG 5 0.424 41.299 21.825 566 HH22 ARG 5 1HH2 ARG 5 0.606 39.683 21.231 567 H GLU 6 H GLU 6 -5.780 41.175 15.132 568 HA GLU 6 HA GLU 6 -8.092 39.569 15.377 569 HB2 GLU 6 1HB GLU 6 -7.697 41.818 13.403 570 HB3 GLU 6 2HB GLU 6 -9.212 41.245 14.085 571 HG2 GLU 6 1HG GLU 6 -7.864 41.915 16.332 572 HG3 GLU 6 2HG GLU 6 -7.222 43.092 15.189 573 H GLU 7 H GLU 7 -5.714 39.974 12.832 574 HA GLU 7 HA GLU 7 -7.122 38.723 10.745 575 HB2 GLU 7 1HB GLU 7 -5.105 40.040 10.348 576 HB3 GLU 7 2HB GLU 7 -4.144 38.872 11.243 577 HG2 GLU 7 1HG GLU 7 -4.179 37.335 9.555 578 HG3 GLU 7 2HG GLU 7 -5.713 37.916 8.909 579 H ALA 8 H ALA 8 -5.200 37.446 13.384 580 HA ALA 8 HA ALA 8 -4.881 34.816 12.447 581 HB1 ALA 8 3HB ALA 8 -3.568 34.958 14.250 582 HB2 ALA 8 1HB ALA 8 -4.548 36.231 14.976 583 HB3 ALA 8 2HB ALA 8 -5.013 34.541 15.172 584 H ALA 9 H ALA 9 -7.304 36.138 14.708 585 HA ALA 9 HA ALA 9 -8.805 33.848 15.097 586 HB1 ALA 9 3HB ALA 9 -9.930 35.251 16.394 587 HB2 ALA 9 1HB ALA 9 -9.075 36.611 15.664 588 HB3 ALA 9 2HB ALA 9 -10.597 36.051 14.970 589 H LYS 10 H LYS 10 -8.817 36.083 12.395 590 HA LYS 10 HA LYS 10 -11.185 35.010 11.186 591 HB2 LYS 10 1HB LYS 10 -10.565 37.298 10.724 592 HB3 LYS 10 2HB LYS 10 -8.996 36.794 10.108 593 HG2 LYS 10 1HG LYS 10 -11.256 35.553 8.735 594 HG3 LYS 10 2HG LYS 10 -11.201 37.311 8.590 595 HD2 LYS 10 1HD LYS 10 -8.672 35.806 8.180 596 HD3 LYS 10 2HD LYS 10 -9.899 35.715 6.914 597 HE2 LYS 10 1HE LYS 10 -9.787 38.408 7.588 598 HE3 LYS 10 2HE LYS 10 -8.105 37.881 7.608 599 HZ1 LYS 10 3HZ LYS 10 -8.928 36.754 5.354 600 HZ2 LYS 10 1HZ LYS 10 -8.277 38.315 5.418 601 HZ3 LYS 10 2HZ LYS 10 -9.954 38.100 5.375 602 H LEU 11 H LEU 11 -7.750 34.390 10.981 603 HA LEU 11 HA LEU 11 -7.775 32.874 8.595 604 HG LEU 11 HG LEU 11 -5.858 34.188 8.232 605 HB2 LEU 11 1HB LEU 11 -5.904 33.427 10.775 606 HB3 LEU 11 2HB LEU 11 -5.699 31.836 10.044 607 HD11 LEU 11 1HD1 LEU 11 -3.472 34.633 8.506 608 HD12 LEU 11 2HD1 LEU 11 -3.412 33.498 9.854 609 HD13 LEU 11 3HD1 LEU 11 -4.366 34.975 9.988 610 HD21 LEU 11 3HD2 LEU 11 -5.626 32.196 7.076 611 HD22 LEU 11 1HD2 LEU 11 -4.550 31.499 8.286 612 HD23 LEU 11 2HD2 LEU 11 -3.958 32.757 7.200 613 H PHE 12 H PHE 12 -8.456 32.096 11.931 614 HA PHE 12 HA PHE 12 -8.226 29.329 11.887 615 HD1 PHE 12 HD1 PHE 12 -6.901 31.092 13.316 616 HD2 PHE 12 HD2 PHE 12 -9.653 28.814 15.631 617 HE1 PHE 12 HE1 PHE 12 -5.133 30.638 14.966 618 HE2 PHE 12 HE2 PHE 12 -7.889 28.358 17.285 619 HZ PHE 12 HZ PHE 12 -5.626 29.272 16.954 620 HB2 PHE 12 1HB PHE 12 -9.792 31.284 13.482 621 HB3 PHE 12 2HB PHE 12 -10.303 29.601 13.561 622 H GLU 13 H GLU 13 -10.641 31.394 10.489 623 HA GLU 13 HA GLU 13 -12.666 29.428 10.152 624 HB2 GLU 13 1HB GLU 13 -12.458 32.170 9.751 625 HB3 GLU 13 2HB GLU 13 -12.668 31.522 8.131 626 HG2 GLU 13 1HG GLU 13 -14.845 31.606 8.575 627 HG3 GLU 13 2HG GLU 13 -14.564 30.153 9.532 628 H GLU 14 H GLU 14 -9.874 30.403 8.284 629 HA GLU 14 HA GLU 14 -10.453 29.346 5.801 630 HB2 GLU 14 1HB GLU 14 -7.820 29.404 7.280 631 HB3 GLU 14 2HB GLU 14 -7.979 28.997 5.577 632 HG2 GLU 14 1HG GLU 14 -8.912 31.604 6.742 633 HG3 GLU 14 2HG GLU 14 -7.300 31.356 6.073 634 H TRP 15 H TRP 15 -8.972 27.678 8.572 635 HA TRP 15 HA TRP 15 -8.656 25.177 7.377 636 HD1 TRP 15 HD1 TRP 15 -6.552 26.237 7.701 637 HE1 TRP 15 HE1 TRP 15 -4.594 27.456 8.845 638 HE3 TRP 15 HE3 TRP 15 -8.168 26.005 12.546 639 HZ2 TRP 15 HZ2 TRP 15 -3.835 28.219 11.455 640 HZ3 TRP 15 HZ3 TRP 15 -6.767 27.003 14.306 641 HH2 TRP 15 HH2 TRP 15 -4.646 28.086 13.770 642 HB2 TRP 15 1HB TRP 15 -9.305 25.653 10.291 643 HB3 TRP 15 2HB TRP 15 -8.425 24.292 9.600 644 H LYS 16 H LYS 16 -11.324 26.320 9.450 645 HA LYS 16 HA LYS 16 -12.926 24.068 9.339 646 HB2 LYS 16 1HB LYS 16 -13.231 26.232 10.696 647 HB3 LYS 16 2HB LYS 16 -14.065 26.854 9.278 648 HG2 LYS 16 1HG LYS 16 -15.930 25.902 9.979 649 HG3 LYS 16 2HG LYS 16 -15.164 24.317 9.839 650 HD2 LYS 16 1HD LYS 16 -15.581 24.201 12.051 651 HD3 LYS 16 2HD LYS 16 -14.114 25.174 12.181 652 HE2 LYS 16 1HE LYS 16 -15.678 26.303 13.503 653 HE3 LYS 16 2HE LYS 16 -15.660 27.201 11.985 654 HZ1 LYS 16 3HZ LYS 16 -17.832 26.877 11.853 655 HZ2 LYS 16 1HZ LYS 16 -17.827 25.915 13.245 656 HZ3 LYS 16 2HZ LYS 16 -17.577 25.210 11.728 657 H LYS 17 H LYS 17 -12.568 26.668 7.003 658 HA LYS 17 HA LYS 17 -14.759 26.156 5.367 659 HB2 LYS 17 1HB LYS 17 -12.735 27.946 5.310 660 HB3 LYS 17 2HB LYS 17 -12.231 26.879 4.006 661 HG2 LYS 17 1HG LYS 17 -15.011 27.987 4.119 662 HG3 LYS 17 2HG LYS 17 -13.676 28.910 3.425 663 HD2 LYS 17 1HD LYS 17 -13.258 27.173 1.805 664 HD3 LYS 17 2HD LYS 17 -14.466 26.129 2.558 665 HE2 LYS 17 1HE LYS 17 -15.621 28.678 1.914 666 HE3 LYS 17 2HE LYS 17 -14.845 27.989 0.489 667 HZ1 LYS 17 3HZ LYS 17 -16.294 25.982 1.833 668 HZ2 LYS 17 1HZ LYS 17 -16.519 26.582 0.267 669 HZ3 LYS 17 2HZ LYS 17 -17.309 27.310 1.573 670 H LEU 18 H LEU 18 -11.486 24.780 5.233 671 HA LEU 18 HA LEU 18 -12.078 23.082 3.011 672 HG LEU 18 HG LEU 18 -8.437 23.481 2.842 673 HB2 LEU 18 1HB LEU 18 -9.796 23.575 4.804 674 HB3 LEU 18 2HB LEU 18 -9.894 21.947 4.136 675 HD11 LEU 18 1HD1 LEU 18 -9.008 22.552 0.836 676 HD12 LEU 18 2HD1 LEU 18 -10.732 22.845 1.062 677 HD13 LEU 18 3HD1 LEU 18 -9.943 21.526 1.924 678 HD21 LEU 18 3HD2 LEU 18 -9.824 25.516 3.242 679 HD22 LEU 18 1HD2 LEU 18 -11.000 24.877 2.092 680 HD23 LEU 18 2HD2 LEU 18 -9.367 25.272 1.555 681 H ALA 19 H ALA 19 -12.360 22.826 6.459 682 HA ALA 19 HA ALA 19 -12.415 20.025 6.718 683 HB1 ALA 19 3HB ALA 19 -13.915 22.011 8.417 684 HB2 ALA 19 1HB ALA 19 -13.397 20.386 8.870 685 HB3 ALA 19 2HB ALA 19 -12.197 21.650 8.594 686 H GLU 20 H GLU 20 -14.999 22.384 6.132 687 HA GLU 20 HA GLU 20 -17.137 20.547 6.220 688 HB2 GLU 20 1HB GLU 20 -17.134 23.156 6.242 689 HB3 GLU 20 2HB GLU 20 -17.199 22.996 4.493 690 HG2 GLU 20 1HG GLU 20 -19.270 21.823 4.601 691 HG3 GLU 20 2HG GLU 20 -19.171 21.704 6.357 692 H GLU 21 H GLU 21 -15.098 21.705 3.577 693 HA GLU 21 HA GLU 21 -16.526 20.422 1.496 694 HB2 GLU 21 1HB GLU 21 -13.938 21.806 1.790 695 HB3 GLU 21 2HB GLU 21 -13.999 20.608 0.506 696 HG2 GLU 21 1HG GLU 21 -15.467 21.804 -0.738 697 HG3 GLU 21 2HG GLU 21 -16.242 22.529 0.669 698 H ALA 22 H ALA 22 -13.988 19.389 3.669 699 HA ALA 22 HA ALA 22 -13.254 17.034 2.265 700 HB1 ALA 22 3HB ALA 22 -12.629 16.474 4.853 701 HB2 ALA 22 1HB ALA 22 -11.611 17.395 3.744 702 HB3 ALA 22 2HB ALA 22 -12.675 18.238 4.872 703 H ALA 23 H ALA 23 -15.749 17.790 4.601 704 HA ALA 23 HA ALA 23 -16.443 15.194 5.392 705 HB1 ALA 23 3HB ALA 23 -17.227 17.415 6.363 706 HB2 ALA 23 1HB ALA 23 -18.434 17.419 5.077 707 HB3 ALA 23 2HB ALA 23 -18.416 16.115 6.265 708 H LYS 24 H LYS 24 -17.237 17.035 2.524 709 HA LYS 24 HA LYS 24 -19.318 15.294 1.625 710 HB2 LYS 24 1HB LYS 24 -17.663 17.212 -0.022 711 HB3 LYS 24 2HB LYS 24 -19.241 16.554 -0.435 712 HG2 LYS 24 1HG LYS 24 -20.255 17.769 1.405 713 HG3 LYS 24 2HG LYS 24 -18.675 18.394 1.882 714 HD2 LYS 24 1HD LYS 24 -18.522 19.390 -0.445 715 HD3 LYS 24 2HD LYS 24 -20.233 18.992 -0.623 716 HE2 LYS 24 1HE LYS 24 -19.267 20.561 1.737 717 HE3 LYS 24 2HE LYS 24 -19.557 21.358 0.191 718 HZ1 LYS 24 3HZ LYS 24 -21.599 21.567 1.134 719 HZ2 LYS 24 1HZ LYS 24 -21.466 20.150 2.049 720 HZ3 LYS 24 2HZ LYS 24 -21.818 20.059 0.397 721 H LEU 25 H LEU 25 -15.848 15.455 1.202 722 HA LEU 25 HA LEU 25 -15.747 13.553 -0.936 723 HG LEU 25 HG LEU 25 -12.308 14.653 -1.392 724 HB2 LEU 25 1HB LEU 25 -13.983 15.350 0.203 725 HB3 LEU 25 2HB LEU 25 -13.327 13.781 0.660 726 HD11 LEU 25 1HD1 LEU 25 -14.046 12.239 -1.884 727 HD12 LEU 25 2HD1 LEU 25 -12.503 12.231 -1.032 728 HD13 LEU 25 3HD1 LEU 25 -12.562 12.657 -2.742 729 HD21 LEU 25 3HD2 LEU 25 -13.532 14.991 -3.393 730 HD22 LEU 25 1HD2 LEU 25 -14.383 15.878 -2.127 731 HD23 LEU 25 2HD2 LEU 25 -15.006 14.326 -2.687 732 H LEU 26 H LEU 26 -15.613 13.414 2.555 733 HA LEU 26 HA LEU 26 -14.734 10.680 2.655 734 HG LEU 26 HG LEU 26 -15.651 9.740 5.045 735 HB2 LEU 26 1HB LEU 26 -14.135 11.969 4.515 736 HB3 LEU 26 2HB LEU 26 -15.757 12.637 4.681 737 HD11 LEU 26 1HD1 LEU 26 -13.747 9.722 6.234 738 HD12 LEU 26 2HD1 LEU 26 -14.749 10.429 7.502 739 HD13 LEU 26 3HD1 LEU 26 -13.759 11.470 6.478 740 HD21 LEU 26 3HD2 LEU 26 -17.321 11.825 5.699 741 HD22 LEU 26 1HD2 LEU 26 -16.561 11.422 7.239 742 HD23 LEU 26 2HD2 LEU 26 -17.422 10.180 6.329 743 H GLU 27 H GLU 27 -17.791 12.368 2.625 744 HA GLU 27 HA GLU 27 -19.303 9.997 3.320 745 HB2 GLU 27 1HB GLU 27 -20.093 12.804 2.557 746 HB3 GLU 27 2HB GLU 27 -21.274 11.524 2.794 747 HG2 GLU 27 1HG GLU 27 -19.300 12.000 4.953 748 HG3 GLU 27 2HG GLU 27 -20.586 13.185 4.729 749 H GLY 28 H GLY 28 -18.262 11.681 0.470 750 HA2 GLY 28 1HA GLY 28 -18.487 11.207 -1.764 751 HA3 GLY 28 2HA GLY 28 -18.810 9.555 -1.260 752 H GLY 29 H GLY 29 -20.600 12.618 -0.885 753 HA2 GLY 29 1HA GLY 29 -22.552 13.060 -2.277 754 HA3 GLY 29 2HA GLY 29 -22.857 11.330 -2.288 755 H GLY 30 H GLY 30 -22.847 10.515 0.211 756 HA2 GLY 30 1HA GLY 30 -24.164 12.319 2.018 757 HA3 GLY 30 2HA GLY 30 -25.274 11.174 1.281 758 H GLY 31 H GLY 31 -24.998 11.168 3.984 759 HA2 GLY 31 1HA GLY 31 -23.012 9.267 4.835 760 HA3 GLY 31 2HA GLY 31 -24.318 9.921 5.811 761 H GLY 32 H GLY 32 -26.138 8.735 6.123 762 HA2 GLY 32 1HA GLY 32 -27.724 7.062 5.621 763 HA3 GLY 32 2HA GLY 32 -26.602 6.381 4.452 764 H GLY 33 H GLY 33 -28.135 5.555 7.102 765 HA2 GLY 33 1HA GLY 33 -27.797 4.021 8.776 766 HA3 GLY 33 2HA GLY 33 -26.530 3.373 7.743 767 H GLY 34 H GLY 34 -26.928 6.379 9.629 768 HA2 GLY 34 1HA GLY 34 -25.633 7.259 11.319 769 HA3 GLY 34 2HA GLY 34 -24.886 5.678 11.493 770 H GLY 35 H GLY 35 -22.770 5.684 11.168 771 HA2 GLY 35 1HA GLY 35 -20.913 5.955 9.665 772 HA3 GLY 35 2HA GLY 35 -21.687 7.402 9.036 773 H GLU 36 H GLU 36 -19.461 6.144 11.279 774 HA GLU 36 HA GLU 36 -19.419 8.475 12.987 775 HB2 GLU 36 1HB GLU 36 -18.892 6.413 14.054 776 HB3 GLU 36 2HB GLU 36 -17.706 6.001 12.823 777 HG2 GLU 36 1HG GLU 36 -16.283 7.839 13.585 778 HG3 GLU 36 2HG GLU 36 -17.467 8.230 14.831 779 H LEU 37 H LEU 37 -17.769 7.316 10.161 780 HA LEU 37 HA LEU 37 -15.395 8.722 10.221 781 HG LEU 37 HG LEU 37 -15.078 6.757 7.159 782 HB2 LEU 37 1HB LEU 37 -17.134 7.600 8.145 783 HB3 LEU 37 2HB LEU 37 -16.106 8.921 7.594 784 HD11 LEU 37 1HD1 LEU 37 -13.174 7.403 9.150 785 HD12 LEU 37 2HD1 LEU 37 -13.905 8.911 8.600 786 HD13 LEU 37 3HD1 LEU 37 -13.155 7.819 7.436 787 HD21 LEU 37 3HD2 LEU 37 -16.207 5.652 9.149 788 HD22 LEU 37 1HD2 LEU 37 -14.912 6.338 10.132 789 HD23 LEU 37 2HD2 LEU 37 -14.529 5.201 8.838 790 H MET 38 H MET 38 -18.627 9.865 9.438 791 HA MET 38 HA MET 38 -17.759 12.445 8.541 792 HB2 MET 38 1HB MET 38 -20.056 12.983 8.333 793 HB3 MET 38 2HB MET 38 -19.919 11.287 7.888 794 HG2 MET 38 1HG MET 38 -20.446 11.008 10.493 795 HG3 MET 38 2HG MET 38 -21.256 12.544 10.196 796 HE1 MET 38 3HE MET 38 -24.410 11.743 8.538 797 HE2 MET 38 1HE MET 38 -23.959 11.965 10.229 798 HE3 MET 38 2HE MET 38 -23.205 12.954 8.979 799 H LYS 39 H LYS 39 -18.706 11.032 11.587 800 HA LYS 39 HA LYS 39 -19.029 13.536 12.954 801 HB2 LYS 39 1HB LYS 39 -20.167 11.416 13.634 802 HB3 LYS 39 2HB LYS 39 -18.604 10.785 14.134 803 HG2 LYS 39 1HG LYS 39 -19.566 11.546 16.108 804 HG3 LYS 39 2HG LYS 39 -18.465 12.845 15.647 805 HD2 LYS 39 1HD LYS 39 -20.632 13.737 14.407 806 HD3 LYS 39 2HD LYS 39 -21.438 12.775 15.650 807 HE2 LYS 39 1HE LYS 39 -19.729 14.033 17.224 808 HE3 LYS 39 2HE LYS 39 -19.756 15.216 15.917 809 HZ1 LYS 39 3HZ LYS 39 -22.056 15.542 16.189 810 HZ2 LYS 39 1HZ LYS 39 -21.414 15.560 17.755 811 HZ3 LYS 39 2HZ LYS 39 -22.225 14.188 17.188 812 H LEU 40 H LEU 40 -16.414 11.314 12.347 813 HA LEU 40 HA LEU 40 -14.658 12.338 14.354 814 HG LEU 40 HG LEU 40 -12.377 11.486 14.238 815 HB2 LEU 40 1HB LEU 40 -14.478 10.074 13.353 816 HB3 LEU 40 2HB LEU 40 -13.977 10.821 11.838 817 HD11 LEU 40 1HD1 LEU 40 -11.682 8.931 12.919 818 HD12 LEU 40 2HD1 LEU 40 -13.009 8.901 14.081 819 HD13 LEU 40 3HD1 LEU 40 -11.414 9.464 14.578 820 HD21 LEU 40 3HD2 LEU 40 -11.575 10.669 11.451 821 HD22 LEU 40 1HD2 LEU 40 -10.579 11.471 12.666 822 HD23 LEU 40 2HD2 LEU 40 -11.933 12.329 11.930 823 H CYS 41 H CYS 41 -15.222 13.020 10.948 824 HA CYS 41 HA CYS 41 -12.971 14.716 10.596 825 HG CYS 41 HG CYS 41 -13.367 15.395 6.947 826 HB2 CYS 41 1HB CYS 41 -14.101 13.671 8.694 827 HB3 CYS 41 2HB CYS 41 -15.567 14.575 9.050 828 H GLU 42 H GLU 42 -16.209 15.194 11.793 829 HA GLU 42 HA GLU 42 -16.180 18.048 11.604 830 HB2 GLU 42 1HB GLU 42 -18.242 16.578 11.716 831 HB3 GLU 42 2HB GLU 42 -17.904 16.374 13.429 832 HG2 GLU 42 1HG GLU 42 -19.067 18.209 13.822 833 HG3 GLU 42 2HG GLU 42 -17.825 19.130 12.974 834 H GLU 43 H GLU 43 -15.325 15.691 14.062 835 HA GLU 43 HA GLU 43 -15.161 17.307 16.305 836 HB2 GLU 43 1HB GLU 43 -14.525 14.699 15.719 837 HB3 GLU 43 2HB GLU 43 -12.949 15.397 16.065 838 HG2 GLU 43 1HG GLU 43 -13.519 14.766 18.159 839 HG3 GLU 43 2HG GLU 43 -14.251 16.369 18.155 840 H ALA 44 H ALA 44 -12.718 16.735 13.798 841 HA ALA 44 HA ALA 44 -10.619 18.188 14.901 842 HB1 ALA 44 3HB ALA 44 -10.811 18.477 12.009 843 HB2 ALA 44 1HB ALA 44 -9.573 17.695 12.991 844 HB3 ALA 44 2HB ALA 44 -11.039 16.816 12.557 845 H ALA 45 H ALA 45 -13.197 19.298 12.714 846 HA ALA 45 HA ALA 45 -12.310 22.001 12.664 847 HB1 ALA 45 3HB ALA 45 -13.725 20.916 10.913 848 HB2 ALA 45 1HB ALA 45 -15.078 20.991 12.043 849 HB3 ALA 45 2HB ALA 45 -14.321 22.479 11.473 850 H LYS 46 H LYS 46 -14.318 20.149 14.799 851 HA LYS 46 HA LYS 46 -15.737 22.284 16.000 852 HB2 LYS 46 1HB LYS 46 -15.899 19.586 16.157 853 HB3 LYS 46 2HB LYS 46 -15.082 19.936 17.676 854 HG2 LYS 46 1HG LYS 46 -17.002 21.727 17.901 855 HG3 LYS 46 2HG LYS 46 -17.829 20.633 16.790 856 HD2 LYS 46 1HD LYS 46 -18.229 19.168 18.421 857 HD3 LYS 46 2HD LYS 46 -16.535 19.171 18.917 858 HE2 LYS 46 1HE LYS 46 -17.616 19.951 20.810 859 HE3 LYS 46 2HE LYS 46 -17.113 21.442 20.015 860 HZ1 LYS 46 3HZ LYS 46 -19.800 20.260 19.622 861 HZ2 LYS 46 1HZ LYS 46 -19.282 21.825 19.237 862 HZ3 LYS 46 2HZ LYS 46 -19.468 21.369 20.856 863 H LYS 47 H LYS 47 -12.619 20.791 16.654 864 HA LYS 47 HA LYS 47 -12.101 21.981 19.140 865 HB2 LYS 47 1HB LYS 47 -10.796 20.186 17.587 866 HB3 LYS 47 2HB LYS 47 -9.800 21.611 17.319 867 HG2 LYS 47 1HG LYS 47 -8.721 20.899 19.148 868 HG3 LYS 47 2HG LYS 47 -10.051 21.679 20.010 869 HD2 LYS 47 1HD LYS 47 -10.149 18.798 19.146 870 HD3 LYS 47 2HD LYS 47 -9.480 19.300 20.701 871 HE2 LYS 47 1HE LYS 47 -11.644 20.420 21.199 872 HE3 LYS 47 2HE LYS 47 -12.291 19.747 19.703 873 HZ1 LYS 47 3HZ LYS 47 -11.470 18.320 22.155 874 HZ2 LYS 47 1HZ LYS 47 -11.594 17.514 20.673 875 HZ3 LYS 47 2HZ LYS 47 -12.954 18.261 21.344 876 H ALA 48 H ALA 48 -11.496 23.104 15.844 877 HA ALA 48 HA ALA 48 -9.981 25.372 16.431 878 HB1 ALA 48 3HB ALA 48 -10.331 26.031 14.240 879 HB2 ALA 48 1HB ALA 48 -10.577 24.287 14.155 880 HB3 ALA 48 2HB ALA 48 -11.966 25.372 14.193 881 H GLU 49 H GLU 49 -13.497 24.958 16.243 882 HA GLU 49 HA GLU 49 -14.123 27.689 16.689 883 HB2 GLU 49 1HB GLU 49 -15.582 25.665 15.806 884 HB3 GLU 49 2HB GLU 49 -16.008 25.523 17.505 885 HG2 GLU 49 1HG GLU 49 -16.186 28.257 16.564 886 HG3 GLU 49 2HG GLU 49 -17.207 27.159 15.634 887 H GLU 50 H GLU 50 -13.542 24.954 18.798 888 HA GLU 50 HA GLU 50 -14.506 26.224 21.173 889 HB2 GLU 50 1HB GLU 50 -14.486 23.830 21.112 890 HB3 GLU 50 2HB GLU 50 -12.773 23.797 20.715 891 HG2 GLU 50 1HG GLU 50 -12.139 24.417 22.876 892 HG3 GLU 50 2HG GLU 50 -13.760 24.974 23.286 893 H LEU 51 H LEU 51 -11.501 26.172 19.443 894 HA LEU 51 HA LEU 51 -9.837 27.039 21.586 895 HG LEU 51 HG LEU 51 -7.128 26.164 19.337 896 HB2 LEU 51 1HB LEU 51 -9.545 26.359 18.827 897 HB3 LEU 51 2HB LEU 51 -8.753 27.905 19.126 898 HD11 LEU 51 1HD1 LEU 51 -7.108 28.058 20.976 899 HD12 LEU 51 2HD1 LEU 51 -6.283 26.597 21.519 900 HD13 LEU 51 3HD1 LEU 51 -7.891 26.982 22.132 901 HD21 LEU 51 3HD2 LEU 51 -7.387 24.374 21.035 902 HD22 LEU 51 1HD2 LEU 51 -8.552 24.265 19.715 903 HD23 LEU 51 2HD2 LEU 51 -9.054 24.899 21.283 904 H PHE 52 H PHE 52 -11.865 28.646 19.250 905 HA PHE 52 HA PHE 52 -10.848 31.216 19.279 906 HD1 PHE 52 HD1 PHE 52 -12.436 33.531 19.275 907 HD2 PHE 52 HD2 PHE 52 -12.991 30.746 16.105 908 HE1 PHE 52 HE1 PHE 52 -12.142 35.343 17.636 909 HE2 PHE 52 HE2 PHE 52 -12.698 32.553 14.461 910 HZ PHE 52 HZ PHE 52 -12.271 34.855 15.226 911 HB2 PHE 52 1HB PHE 52 -13.106 30.000 18.259 912 HB3 PHE 52 2HB PHE 52 -13.771 31.152 19.413 913 H LYS 53 H LYS 53 -12.753 29.552 21.698 914 HA LYS 53 HA LYS 53 -13.427 31.819 23.258 915 HB2 LYS 53 1HB LYS 53 -14.227 29.258 23.291 916 HB3 LYS 53 2HB LYS 53 -13.051 29.194 24.598 917 HG2 LYS 53 1HG LYS 53 -14.678 31.504 24.950 918 HG3 LYS 53 2HG LYS 53 -15.720 30.104 24.682 919 HD2 LYS 53 1HD LYS 53 -14.637 28.904 26.478 920 HD3 LYS 53 2HD LYS 53 -13.474 30.213 26.694 921 HE2 LYS 53 1HE LYS 53 -14.866 31.276 28.059 922 HE3 LYS 53 2HE LYS 53 -16.129 31.269 26.828 923 HZ1 LYS 53 3HZ LYS 53 -16.217 29.942 29.193 924 HZ2 LYS 53 1HZ LYS 53 -15.792 28.722 28.102 925 HZ3 LYS 53 2HZ LYS 53 -17.199 29.626 27.853 926 H LEU 54 H LEU 54 -10.742 29.512 23.391 927 HA LEU 54 HA LEU 54 -9.560 30.667 25.717 928 HG LEU 54 HG LEU 54 -8.190 27.265 25.678 929 HB2 LEU 54 1HB LEU 54 -8.872 28.567 23.764 930 HB3 LEU 54 2HB LEU 54 -7.512 29.347 24.568 931 HD11 LEU 54 1HD1 LEU 54 -9.002 29.292 27.656 932 HD12 LEU 54 2HD1 LEU 54 -7.465 29.577 26.841 933 HD13 LEU 54 3HD1 LEU 54 -7.727 28.076 27.728 934 HD21 LEU 54 3HD2 LEU 54 -10.734 28.647 26.476 935 HD22 LEU 54 1HD2 LEU 54 -10.291 26.951 26.668 936 HD23 LEU 54 2HD2 LEU 54 -10.645 27.594 25.064 937 H ALA 55 H ALA 55 -9.121 31.055 22.247 938 HA ALA 55 HA ALA 55 -6.781 32.652 22.392 939 HB1 ALA 55 3HB ALA 55 -7.900 33.393 20.039 940 HB2 ALA 55 1HB ALA 55 -6.931 31.938 20.267 941 HB3 ALA 55 2HB ALA 55 -8.691 31.842 20.314 942 H GLU 56 H GLU 56 -10.184 33.332 22.681 943 HA GLU 56 HA GLU 56 -10.085 36.115 22.193 944 HB2 GLU 56 1HB GLU 56 -12.182 34.851 22.152 945 HB3 GLU 56 2HB GLU 56 -12.027 34.515 23.870 946 HG2 GLU 56 1HG GLU 56 -11.885 37.348 23.333 947 HG3 GLU 56 2HG GLU 56 -13.366 36.637 22.694 948 H GLU 57 H GLU 57 -9.784 34.182 25.140 949 HA GLU 57 HA GLU 57 -9.556 36.472 26.854 950 HB2 GLU 57 1HB GLU 57 -10.229 33.911 27.322 951 HB3 GLU 57 2HB GLU 57 -8.526 33.840 27.756 952 HG2 GLU 57 1HG GLU 57 -9.625 36.156 28.956 953 HG3 GLU 57 2HG GLU 57 -10.712 34.806 29.281 954 H ARG 58 H ARG 58 -7.380 34.502 25.013 955 HA ARG 58 HA ARG 58 -5.007 35.278 26.428 956 HE ARG 58 HE ARG 58 -2.226 31.324 25.406 957 HB2 ARG 58 1HB ARG 58 -5.442 33.941 23.755 958 HB3 ARG 58 2HB ARG 58 -3.849 34.265 24.428 959 HG2 ARG 58 1HG ARG 58 -5.802 32.767 26.093 960 HG3 ARG 58 2HG ARG 58 -5.029 31.937 24.740 961 HD2 ARG 58 1HD ARG 58 -3.008 33.362 26.098 962 HD3 ARG 58 2HD ARG 58 -3.975 32.547 27.328 963 HH11 ARG 58 1HH1 ARG 58 -5.012 30.853 27.440 964 HH12 ARG 58 2HH1 ARG 58 -4.820 29.134 27.526 965 HH21 ARG 58 2HH2 ARG 58 -3.086 28.115 26.430 966 HH22 ARG 58 1HH2 ARG 58 -1.964 29.061 25.512 967 H LEU 59 H LEU 59 -5.708 35.777 22.978 968 HA LEU 59 HA LEU 59 -3.984 37.902 22.597 969 HG LEU 59 HG LEU 59 -5.379 35.406 21.052 970 HB2 LEU 59 1HB LEU 59 -6.613 37.520 21.178 971 HB3 LEU 59 2HB LEU 59 -5.198 38.382 20.577 972 HD11 LEU 59 1HD1 LEU 59 -5.353 35.207 18.644 973 HD12 LEU 59 2HD1 LEU 59 -5.280 36.960 18.470 974 HD13 LEU 59 3HD1 LEU 59 -6.721 36.201 19.145 975 HD21 LEU 59 3HD2 LEU 59 -3.133 37.103 20.920 976 HD22 LEU 59 1HD2 LEU 59 -3.211 36.238 19.385 977 HD23 LEU 59 2HD2 LEU 59 -3.167 35.340 20.903 978 H LYS 60 H LYS 60 -7.320 37.918 23.719 979 HA LYS 60 HA LYS 60 -7.102 40.822 24.166 980 HB2 LYS 60 1HB LYS 60 -9.002 39.593 22.695 981 HB3 LYS 60 2HB LYS 60 -9.767 39.534 24.278 982 HG2 LYS 60 1HG LYS 60 -10.556 41.547 23.680 983 HG3 LYS 60 2HG LYS 60 -8.975 42.108 24.228 984 HD2 LYS 60 1HD LYS 60 -9.228 41.189 21.413 985 HD3 LYS 60 2HD LYS 60 -9.943 42.745 21.842 986 HE2 LYS 60 1HE LYS 60 -7.589 43.092 22.999 987 HE3 LYS 60 2HE LYS 60 -7.091 41.900 21.799 988 HZ1 LYS 60 3HZ LYS 60 -8.712 43.895 20.608 989 HZ2 LYS 60 1HZ LYS 60 -7.126 43.444 20.231 990 HZ3 LYS 60 2HZ LYS 60 -7.413 44.613 21.418 991 H LYS 61 H LYS 61 -6.298 40.939 26.203 992 HA LYS 61 HA LYS 61 -7.126 39.203 28.315 993 HB2 LYS 61 1HB LYS 61 -5.028 40.988 27.896 994 HB3 LYS 61 2HB LYS 61 -5.956 41.713 29.201 995 HG2 LYS 61 1HG LYS 61 -5.470 40.046 30.666 996 HG3 LYS 61 2HG LYS 61 -5.344 38.820 29.401 997 HD2 LYS 61 1HD LYS 61 -3.139 39.061 30.046 998 HD3 LYS 61 2HD LYS 61 -3.238 40.175 28.681 999 HE2 LYS 61 1HE LYS 61 -3.891 41.280 31.345 1000 HE3 LYS 61 2HE LYS 61 -2.205 40.845 31.067 1001 HZ1 LYS 61 3HZ LYS 61 -2.112 42.900 30.202 1002 HZ2 LYS 61 1HZ LYS 61 -3.777 42.990 29.916 1003 HZ3 LYS 61 2HZ LYS 61 -2.776 42.175 28.825 1004 H LEU 62 H LEU 62 -7.480 42.740 27.978 1005 HA LEU 62 HA LEU 62 -9.080 44.184 28.706 1006 HG LEU 62 HG LEU 62 -10.930 44.810 27.621 1007 HB2 LEU 62 1HB LEU 62 -10.458 41.873 27.686 1008 HB3 LEU 62 2HB LEU 62 -11.370 42.600 29.008 1009 HD11 LEU 62 1HD1 LEU 62 -11.407 43.500 25.172 1010 HD12 LEU 62 2HD1 LEU 62 -9.968 42.767 25.879 1011 HD13 LEU 62 3HD1 LEU 62 -10.032 44.510 25.620 1012 HD21 LEU 62 3HD2 LEU 62 -13.132 44.724 27.140 1013 HD22 LEU 62 1HD2 LEU 62 -13.077 43.271 28.137 1014 HD23 LEU 62 2HD2 LEU 62 -13.016 43.136 26.380 Start of MODEL 2 1 HA MET 1 HA MET 1 -10.833 -1.579 -2.980 2 H1 MET 1 1H MET 1 -11.179 -3.147 -0.939 3 HB2 MET 1 1HB MET 1 -12.641 -3.539 -2.526 4 HB3 MET 1 2HB MET 1 -13.721 -2.167 -2.733 5 HG2 MET 1 1HG MET 1 -12.461 -1.694 -4.885 6 HG3 MET 1 2HG MET 1 -11.748 -3.293 -4.690 7 HE1 MET 1 3HE MET 1 -13.700 -5.680 -4.583 8 HE2 MET 1 1HE MET 1 -14.022 -5.539 -6.312 9 HE3 MET 1 2HE MET 1 -12.438 -5.100 -5.671 10 H LYS 2 H LYS 2 -10.856 0.213 -0.807 11 HA LYS 2 HA LYS 2 -12.946 2.111 -1.656 12 HB2 LYS 2 1HB LYS 2 -12.686 3.117 0.643 13 HB3 LYS 2 2HB LYS 2 -13.419 1.519 0.601 14 HG2 LYS 2 1HG LYS 2 -11.173 0.565 1.144 15 HG3 LYS 2 2HG LYS 2 -10.599 2.217 1.381 16 HD2 LYS 2 1HD LYS 2 -11.640 2.421 3.366 17 HD3 LYS 2 2HD LYS 2 -13.079 1.565 2.811 18 HE2 LYS 2 1HE LYS 2 -12.190 0.162 4.448 19 HE3 LYS 2 2HE LYS 2 -11.628 -0.546 2.935 20 HZ1 LYS 2 3HZ LYS 2 -9.532 0.768 3.290 21 HZ2 LYS 2 1HZ LYS 2 -9.787 -0.506 4.374 22 HZ3 LYS 2 2HZ LYS 2 -10.080 1.089 4.858 23 H LYS 3 H LYS 3 -12.328 4.122 -2.252 24 HA LYS 3 HA LYS 3 -9.449 4.737 -2.093 25 HB2 LYS 3 1HB LYS 3 -9.720 6.016 -4.172 26 HB3 LYS 3 2HB LYS 3 -10.165 4.329 -4.391 27 HG2 LYS 3 1HG LYS 3 -12.573 5.289 -3.825 28 HG3 LYS 3 2HG LYS 3 -11.847 6.764 -4.467 29 HD2 LYS 3 1HD LYS 3 -11.215 5.537 -6.507 30 HD3 LYS 3 2HD LYS 3 -11.999 4.092 -5.865 31 HE2 LYS 3 1HE LYS 3 -13.924 6.080 -5.645 32 HE3 LYS 3 2HE LYS 3 -13.150 6.395 -7.198 33 HZ1 LYS 3 3HZ LYS 3 -13.794 3.618 -6.665 34 HZ2 LYS 3 1HZ LYS 3 -13.975 4.521 -8.085 35 HZ3 LYS 3 2HZ LYS 3 -15.127 4.643 -6.853 36 H LEU 4 H LEU 4 -12.691 5.866 -1.582 37 HA LEU 4 HA LEU 4 -12.234 8.613 -1.327 38 HG LEU 4 HG LEU 4 -13.720 5.941 0.659 39 HB2 LEU 4 1HB LEU 4 -14.295 8.698 -0.088 40 HB3 LEU 4 2HB LEU 4 -14.459 7.577 -1.438 41 HD11 LEU 4 1HD1 LEU 4 -15.497 6.577 2.374 42 HD12 LEU 4 2HD1 LEU 4 -15.452 8.183 1.649 43 HD13 LEU 4 3HD1 LEU 4 -13.997 7.505 2.379 44 HD21 LEU 4 3HD2 LEU 4 -16.608 6.414 0.163 45 HD22 LEU 4 1HD2 LEU 4 -15.698 4.904 0.220 46 HD23 LEU 4 2HD2 LEU 4 -15.604 5.937 -1.208 47 H ARG 5 H ARG 5 -11.697 5.963 0.896 48 HA ARG 5 HA ARG 5 -11.320 7.522 3.231 49 HE ARG 5 HE ARG 5 -12.793 3.800 6.099 50 HB2 ARG 5 1HB ARG 5 -11.226 4.763 2.517 51 HB3 ARG 5 2HB ARG 5 -9.738 5.157 3.365 52 HG2 ARG 5 1HG ARG 5 -11.000 4.653 5.164 53 HG3 ARG 5 2HG ARG 5 -11.479 6.344 5.004 54 HD2 ARG 5 1HD ARG 5 -13.583 5.802 4.483 55 HD3 ARG 5 2HD ARG 5 -13.063 4.566 3.337 56 HH11 ARG 5 1HH1 ARG 5 -14.907 3.904 3.334 57 HH12 ARG 5 2HH1 ARG 5 -15.906 2.602 3.886 58 HH21 ARG 5 2HH2 ARG 5 -15.448 1.567 5.877 59 HH22 ARG 5 1HH2 ARG 5 -14.102 2.083 6.835 60 H GLU 6 H GLU 6 -9.184 6.477 0.646 61 HA GLU 6 HA GLU 6 -6.731 7.119 1.863 62 HB2 GLU 6 1HB GLU 6 -7.445 5.965 -0.487 63 HB3 GLU 6 2HB GLU 6 -6.935 7.549 -1.052 64 HG2 GLU 6 1HG GLU 6 -5.124 6.209 0.845 65 HG3 GLU 6 2HG GLU 6 -5.274 5.470 -0.748 66 H GLU 7 H GLU 7 -9.107 9.067 0.191 67 HA GLU 7 HA GLU 7 -7.510 11.352 -0.245 68 HB2 GLU 7 1HB GLU 7 -10.396 10.717 -0.280 69 HB3 GLU 7 2HB GLU 7 -9.993 12.404 0.002 70 HG2 GLU 7 1HG GLU 7 -8.662 12.421 -2.056 71 HG3 GLU 7 2HG GLU 7 -9.106 10.739 -2.343 72 H ALA 8 H ALA 8 -9.342 10.217 2.515 73 HA ALA 8 HA ALA 8 -9.548 12.504 4.043 74 HB1 ALA 8 3HB ALA 8 -9.540 11.017 6.006 75 HB2 ALA 8 1HB ALA 8 -10.573 10.418 4.707 76 HB3 ALA 8 2HB ALA 8 -8.987 9.694 4.980 77 H ALA 9 H ALA 9 -6.855 10.168 4.051 78 HA ALA 9 HA ALA 9 -5.216 11.473 5.878 79 HB1 ALA 9 3HB ALA 9 -5.001 9.156 4.642 80 HB2 ALA 9 1HB ALA 9 -3.959 10.088 3.564 81 HB3 ALA 9 2HB ALA 9 -3.583 9.986 5.285 82 H LYS 10 H LYS 10 -5.774 12.113 2.489 83 HA LYS 10 HA LYS 10 -3.536 13.873 2.166 84 HB2 LYS 10 1HB LYS 10 -5.153 12.563 0.425 85 HB3 LYS 10 2HB LYS 10 -5.849 14.177 0.354 86 HG2 LYS 10 1HG LYS 10 -4.237 14.824 -1.011 87 HG3 LYS 10 2HG LYS 10 -3.023 14.424 0.207 88 HD2 LYS 10 1HD LYS 10 -4.193 12.192 -1.365 89 HD3 LYS 10 2HD LYS 10 -3.065 13.270 -2.188 90 HE2 LYS 10 1HE LYS 10 -1.458 11.974 -1.330 91 HE3 LYS 10 2HE LYS 10 -1.801 12.782 0.198 92 HZ1 LYS 10 3HZ LYS 10 -3.545 10.561 -0.387 93 HZ2 LYS 10 1HZ LYS 10 -2.729 10.949 1.043 94 HZ3 LYS 10 2HZ LYS 10 -1.922 10.125 -0.195 95 H LEU 11 H LEU 11 -6.995 14.284 2.780 96 HA LEU 11 HA LEU 11 -6.991 17.114 2.650 97 HG LEU 11 HG LEU 11 -8.738 16.027 1.271 98 HB2 LEU 11 1HB LEU 11 -8.847 15.075 3.819 99 HB3 LEU 11 2HB LEU 11 -9.121 16.796 4.081 100 HD11 LEU 11 1HD1 LEU 11 -10.048 14.204 1.418 101 HD12 LEU 11 2HD1 LEU 11 -11.351 15.391 1.477 102 HD13 LEU 11 3HD1 LEU 11 -10.733 14.687 2.970 103 HD21 LEU 11 3HD2 LEU 11 -10.743 17.496 1.053 104 HD22 LEU 11 1HD2 LEU 11 -9.361 18.266 1.831 105 HD23 LEU 11 2HD2 LEU 11 -10.719 17.702 2.805 106 H PHE 12 H PHE 12 -6.285 14.817 5.183 107 HA PHE 12 HA PHE 12 -6.512 16.468 7.422 108 HD1 PHE 12 HD1 PHE 12 -7.935 14.205 7.000 109 HD2 PHE 12 HD2 PHE 12 -5.050 13.980 10.122 110 HE1 PHE 12 HE1 PHE 12 -9.656 13.327 8.522 111 HE2 PHE 12 HE2 PHE 12 -6.768 13.100 11.649 112 HZ PHE 12 HZ PHE 12 -9.073 12.772 10.850 113 HB2 PHE 12 1HB PHE 12 -5.143 13.941 6.770 114 HB3 PHE 12 2HB PHE 12 -4.425 14.847 8.097 115 H GLU 13 H GLU 13 -3.941 16.142 5.056 116 HA GLU 13 HA GLU 13 -1.998 17.642 6.492 117 HB2 GLU 13 1HB GLU 13 -1.801 16.033 4.391 118 HB3 GLU 13 2HB GLU 13 -1.965 17.547 3.512 119 HG2 GLU 13 1HG GLU 13 -0.009 17.580 5.700 120 HG3 GLU 13 2HG GLU 13 0.380 16.511 4.355 121 H GLU 14 H GLU 14 -4.528 18.458 4.200 122 HA GLU 14 HA GLU 14 -3.788 21.027 3.485 123 HB2 GLU 14 1HB GLU 14 -6.149 19.425 3.352 124 HB3 GLU 14 2HB GLU 14 -6.599 21.033 3.902 125 HG2 GLU 14 1HG GLU 14 -4.954 20.487 1.444 126 HG3 GLU 14 2HG GLU 14 -6.701 20.721 1.442 127 H TRP 15 H TRP 15 -5.695 19.996 6.301 128 HA TRP 15 HA TRP 15 -6.225 22.500 7.380 129 HD1 TRP 15 HD1 TRP 15 -8.190 21.510 6.549 130 HE1 TRP 15 HE1 TRP 15 -10.087 19.813 6.165 131 HE3 TRP 15 HE3 TRP 15 -6.904 18.040 10.078 132 HZ2 TRP 15 HZ2 TRP 15 -10.927 17.333 7.218 133 HZ3 TRP 15 HZ3 TRP 15 -8.307 16.034 10.326 134 HH2 TRP 15 HH2 TRP 15 -10.277 15.690 8.924 135 HB2 TRP 15 1HB TRP 15 -5.658 19.991 8.968 136 HB3 TRP 15 2HB TRP 15 -6.628 21.370 9.475 137 H LYS 16 H LYS 16 -3.464 20.347 8.002 138 HA LYS 16 HA LYS 16 -2.166 22.090 9.818 139 HB2 LYS 16 1HB LYS 16 -1.606 19.752 9.819 140 HB3 LYS 16 2HB LYS 16 -1.130 19.812 8.127 141 HG2 LYS 16 1HG LYS 16 0.313 21.628 9.948 142 HG3 LYS 16 2HG LYS 16 0.609 19.900 10.161 143 HD2 LYS 16 1HD LYS 16 0.624 20.681 7.364 144 HD3 LYS 16 2HD LYS 16 1.823 21.568 8.309 145 HE2 LYS 16 1HE LYS 16 1.670 18.680 8.854 146 HE3 LYS 16 2HE LYS 16 2.225 19.111 7.238 147 HZ1 LYS 16 3HZ LYS 16 3.589 19.323 9.737 148 HZ2 LYS 16 1HZ LYS 16 3.591 20.794 8.902 149 HZ3 LYS 16 2HZ LYS 16 4.208 19.402 8.165 150 H LYS 17 H LYS 17 -2.235 21.875 6.350 151 HA LYS 17 HA LYS 17 0.112 23.290 5.741 152 HB2 LYS 17 1HB LYS 17 -1.588 21.996 4.214 153 HB3 LYS 17 2HB LYS 17 -2.350 23.574 4.060 154 HG2 LYS 17 1HG LYS 17 0.559 23.518 3.623 155 HG3 LYS 17 2HG LYS 17 -0.418 22.668 2.424 156 HD2 LYS 17 1HD LYS 17 -1.803 24.728 2.192 157 HD3 LYS 17 2HD LYS 17 -0.670 25.555 3.264 158 HE2 LYS 17 1HE LYS 17 1.015 25.557 1.701 159 HE3 LYS 17 2HE LYS 17 0.391 24.133 0.870 160 HZ1 LYS 17 3HZ LYS 17 -0.312 25.633 -0.618 161 HZ2 LYS 17 1HZ LYS 17 -0.237 26.927 0.469 162 HZ3 LYS 17 2HZ LYS 17 -1.580 25.899 0.469 163 H LEU 18 H LEU 18 -3.219 24.421 6.233 164 HA LEU 18 HA LEU 18 -2.550 27.174 5.835 165 HG LEU 18 HG LEU 18 -4.836 25.504 4.586 166 HB2 LEU 18 1HB LEU 18 -4.973 25.815 6.993 167 HB3 LEU 18 2HB LEU 18 -4.841 27.561 6.795 168 HD11 LEU 18 1HD1 LEU 18 -6.908 27.191 4.119 169 HD12 LEU 18 2HD1 LEU 18 -6.914 27.119 5.881 170 HD13 LEU 18 3HD1 LEU 18 -7.047 25.635 4.938 171 HD21 LEU 18 3HD2 LEU 18 -5.056 27.646 3.185 172 HD22 LEU 18 1HD2 LEU 18 -3.459 27.210 3.793 173 HD23 LEU 18 2HD2 LEU 18 -4.395 28.471 4.598 174 H ALA 19 H ALA 19 -2.730 25.019 8.575 175 HA ALA 19 HA ALA 19 -2.804 26.934 10.635 176 HB1 ALA 19 3HB ALA 19 -2.996 24.276 10.610 177 HB2 ALA 19 1HB ALA 19 -1.308 24.422 11.101 178 HB3 ALA 19 2HB ALA 19 -2.575 25.186 12.062 179 H GLU 20 H GLU 20 -0.103 25.421 8.918 180 HA GLU 20 HA GLU 20 1.957 26.525 10.496 181 HB2 GLU 20 1HB GLU 20 2.327 24.625 8.998 182 HB3 GLU 20 2HB GLU 20 2.006 25.646 7.604 183 HG2 GLU 20 1HG GLU 20 4.100 26.359 7.543 184 HG3 GLU 20 2HG GLU 20 4.078 26.777 9.256 185 H GLU 21 H GLU 21 0.333 27.657 7.568 186 HA GLU 21 HA GLU 21 1.995 29.914 7.152 187 HB2 GLU 21 1HB GLU 21 0.276 28.741 5.562 188 HB3 GLU 21 2HB GLU 21 -0.873 29.856 6.288 189 HG2 GLU 21 1HG GLU 21 -0.219 31.436 4.893 190 HG3 GLU 21 2HG GLU 21 1.412 31.351 5.558 191 H ALA 22 H ALA 22 -0.835 29.330 9.111 192 HA ALA 22 HA ALA 22 -1.478 32.048 9.631 193 HB1 ALA 22 3HB ALA 22 -2.963 30.001 9.953 194 HB2 ALA 22 1HB ALA 22 -2.102 29.762 11.475 195 HB3 ALA 22 2HB ALA 22 -3.020 31.243 11.205 196 H ALA 23 H ALA 23 0.718 29.744 11.086 197 HA ALA 23 HA ALA 23 1.209 31.197 13.478 198 HB1 ALA 23 3HB ALA 23 2.885 29.632 13.929 199 HB2 ALA 23 1HB ALA 23 1.698 28.732 12.986 200 HB3 ALA 23 2HB ALA 23 3.176 29.314 12.219 201 H LYS 24 H LYS 24 2.569 31.281 10.253 202 HA LYS 24 HA LYS 24 4.891 32.779 10.862 203 HB2 LYS 24 1HB LYS 24 3.315 32.457 8.307 204 HB3 LYS 24 2HB LYS 24 4.830 33.346 8.401 205 HG2 LYS 24 1HG LYS 24 6.082 31.447 8.738 206 HG3 LYS 24 2HG LYS 24 4.718 30.534 9.386 207 HD2 LYS 24 1HD LYS 24 4.929 29.583 7.302 208 HD3 LYS 24 2HD LYS 24 3.753 30.856 6.970 209 HE2 LYS 24 1HE LYS 24 5.335 32.209 5.920 210 HE3 LYS 24 2HE LYS 24 6.691 31.353 6.654 211 HZ1 LYS 24 3HZ LYS 24 4.865 30.148 4.648 212 HZ2 LYS 24 1HZ LYS 24 6.302 29.486 5.248 213 HZ3 LYS 24 2HZ LYS 24 6.351 30.859 4.263 214 H LEU 25 H LEU 25 1.587 33.679 10.048 215 HA LEU 25 HA LEU 25 2.072 36.448 9.701 216 HG LEU 25 HG LEU 25 0.677 36.842 8.147 217 HB2 LEU 25 1HB LEU 25 -0.211 34.666 9.804 218 HB3 LEU 25 2HB LEU 25 -0.544 36.205 10.596 219 HD11 LEU 25 1HD1 LEU 25 0.055 34.423 7.599 220 HD12 LEU 25 2HD1 LEU 25 -0.479 35.680 6.484 221 HD13 LEU 25 3HD1 LEU 25 -1.618 34.980 7.634 222 HD21 LEU 25 3HD2 LEU 25 -2.261 36.889 8.816 223 HD22 LEU 25 1HD2 LEU 25 -1.392 37.940 7.697 224 HD23 LEU 25 2HD2 LEU 25 -1.092 38.059 9.431 225 H LEU 26 H LEU 26 1.348 34.449 12.491 226 HA LEU 26 HA LEU 26 0.773 36.555 14.296 227 HG LEU 26 HG LEU 26 -1.020 34.773 14.919 228 HB2 LEU 26 1HB LEU 26 1.134 33.685 14.397 229 HB3 LEU 26 2HB LEU 26 1.851 34.477 15.797 230 HD11 LEU 26 1HD1 LEU 26 -1.085 32.659 15.744 231 HD12 LEU 26 2HD1 LEU 26 -1.193 33.540 17.268 232 HD13 LEU 26 3HD1 LEU 26 0.355 32.881 16.739 233 HD21 LEU 26 3HD2 LEU 26 -0.760 35.491 17.579 234 HD22 LEU 26 1HD2 LEU 26 -0.963 36.586 16.211 235 HD23 LEU 26 2HD2 LEU 26 0.654 36.206 16.804 236 H GLU 27 H GLU 27 3.748 34.831 13.463 237 HA GLU 27 HA GLU 27 5.270 36.591 15.242 238 HB2 GLU 27 1HB GLU 27 7.080 35.059 15.034 239 HB3 GLU 27 2HB GLU 27 5.628 34.097 15.275 240 HG2 GLU 27 1HG GLU 27 5.527 33.623 12.894 241 HG3 GLU 27 2HG GLU 27 6.954 34.620 12.624 242 H GLY 28 H GLY 28 4.046 37.218 12.501 243 HA2 GLY 28 1HA GLY 28 4.640 38.785 10.902 244 HA3 GLY 28 2HA GLY 28 6.259 38.816 11.585 245 H GLY 29 H GLY 29 7.382 36.522 11.250 246 HA2 GLY 29 1HA GLY 29 6.776 35.065 8.909 247 HA3 GLY 29 2HA GLY 29 7.945 36.318 8.521 248 H GLY 30 H GLY 30 9.576 36.377 10.682 249 HA2 GLY 30 1HA GLY 30 10.563 33.603 10.914 250 HA3 GLY 30 2HA GLY 30 11.645 34.931 10.524 251 H GLY 31 H GLY 31 9.068 34.435 12.945 252 HA2 GLY 31 1HA GLY 31 9.121 34.588 15.238 253 HA3 GLY 31 2HA GLY 31 10.864 34.385 15.144 254 H GLY 32 H GLY 32 10.898 35.927 16.931 255 HA2 GLY 32 1HA GLY 32 11.803 38.075 17.361 256 HA3 GLY 32 2HA GLY 32 11.044 38.662 15.888 257 H GLY 33 H GLY 33 10.940 38.862 19.157 258 HA2 GLY 33 1HA GLY 33 9.429 39.784 20.618 259 HA3 GLY 33 2HA GLY 33 8.543 40.342 19.207 260 H GLY 34 H GLY 34 8.783 37.927 21.676 261 HA2 GLY 34 1HA GLY 34 6.678 36.969 22.456 262 HA3 GLY 34 2HA GLY 34 6.190 36.842 20.772 263 H GLY 35 H GLY 35 6.073 34.774 20.211 264 HA2 GLY 35 1HA GLY 35 7.742 32.952 19.570 265 HA3 GLY 35 2HA GLY 35 8.099 32.922 21.290 266 H GLU 36 H GLU 36 5.632 33.072 22.434 267 HA GLU 36 HA GLU 36 4.722 30.434 22.307 268 HB2 GLU 36 1HB GLU 36 4.316 31.716 24.284 269 HB3 GLU 36 2HB GLU 36 3.425 32.936 23.384 270 HG2 GLU 36 1HG GLU 36 1.616 31.415 22.994 271 HG3 GLU 36 2HG GLU 36 2.527 30.082 23.700 272 H LEU 37 H LEU 37 3.748 33.285 20.543 273 HA LEU 37 HA LEU 37 1.263 32.499 19.587 274 HG LEU 37 HG LEU 37 2.708 34.953 20.401 275 HB2 LEU 37 1HB LEU 37 3.351 34.021 18.038 276 HB3 LEU 37 2HB LEU 37 1.609 34.049 17.775 277 HD11 LEU 37 1HD1 LEU 37 2.436 36.829 18.077 278 HD12 LEU 37 2HD1 LEU 37 3.966 36.040 18.459 279 HD13 LEU 37 3HD1 LEU 37 3.203 37.104 19.641 280 HD21 LEU 37 3HD2 LEU 37 0.178 34.789 19.225 281 HD22 LEU 37 1HD2 LEU 37 0.594 36.504 19.214 282 HD23 LEU 37 2HD2 LEU 37 0.609 35.602 20.730 283 H MET 38 H MET 38 4.460 31.475 18.640 284 HA MET 38 HA MET 38 3.630 30.206 16.206 285 HB2 MET 38 1HB MET 38 5.903 30.932 16.346 286 HB3 MET 38 2HB MET 38 6.159 30.045 17.843 287 HG2 MET 38 1HG MET 38 6.519 28.094 16.789 288 HG3 MET 38 2HG MET 38 5.324 28.426 15.537 289 HE1 MET 38 3HE MET 38 9.784 29.192 15.517 290 HE2 MET 38 1HE MET 38 8.903 30.347 16.519 291 HE3 MET 38 2HE MET 38 8.767 28.618 16.840 292 H LYS 39 H LYS 39 4.025 29.245 19.548 293 HA LYS 39 HA LYS 39 3.804 26.433 19.049 294 HB2 LYS 39 1HB LYS 39 3.282 27.844 21.664 295 HB3 LYS 39 2HB LYS 39 3.779 26.174 21.422 296 HG2 LYS 39 1HG LYS 39 5.917 27.085 20.435 297 HG3 LYS 39 2HG LYS 39 5.412 28.665 21.038 298 HD2 LYS 39 1HD LYS 39 6.019 28.158 23.127 299 HD3 LYS 39 2HD LYS 39 5.189 26.601 23.066 300 HE2 LYS 39 1HE LYS 39 7.837 27.050 21.720 301 HE3 LYS 39 2HE LYS 39 7.721 26.581 23.416 302 HZ1 LYS 39 3HZ LYS 39 7.312 25.003 21.041 303 HZ2 LYS 39 1HZ LYS 39 6.096 24.805 22.202 304 HZ3 LYS 39 2HZ LYS 39 7.710 24.513 22.611 305 H LEU 40 H LEU 40 1.585 29.035 19.821 306 HA LEU 40 HA LEU 40 -0.651 27.570 20.592 307 HG LEU 40 HG LEU 40 -1.899 29.359 21.735 308 HB2 LEU 40 1HB LEU 40 -0.111 30.194 20.254 309 HB3 LEU 40 2HB LEU 40 -1.150 29.903 18.861 310 HD11 LEU 40 1HD1 LEU 40 -1.712 31.808 20.456 311 HD12 LEU 40 2HD1 LEU 40 -2.646 31.446 21.908 312 HD13 LEU 40 3HD1 LEU 40 -3.419 31.380 20.325 313 HD21 LEU 40 3HD2 LEU 40 -4.220 29.400 20.462 314 HD22 LEU 40 1HD2 LEU 40 -3.265 27.925 20.606 315 HD23 LEU 40 2HD2 LEU 40 -3.213 28.866 19.116 316 H CYS 41 H CYS 41 0.310 28.627 17.333 317 HA CYS 41 HA CYS 41 -1.871 27.346 16.032 318 HG CYS 41 HG CYS 41 -0.503 30.770 15.168 319 HB2 CYS 41 1HB CYS 41 0.733 28.511 15.070 320 HB3 CYS 41 2HB CYS 41 -0.365 27.688 13.968 321 H GLU 42 H GLU 42 1.547 26.492 16.474 322 HA GLU 42 HA GLU 42 1.579 24.137 14.993 323 HB2 GLU 42 1HB GLU 42 3.638 25.083 15.779 324 HB3 GLU 42 2HB GLU 42 3.134 24.930 17.457 325 HG2 GLU 42 1HG GLU 42 3.317 22.560 17.379 326 HG3 GLU 42 2HG GLU 42 3.553 22.579 15.632 327 H GLU 43 H GLU 43 0.352 24.779 18.198 328 HA GLU 43 HA GLU 43 0.194 22.166 19.182 329 HB2 GLU 43 1HB GLU 43 -0.752 24.753 19.941 330 HB3 GLU 43 2HB GLU 43 -2.079 23.609 20.087 331 HG2 GLU 43 1HG GLU 43 -0.569 22.149 21.436 332 HG3 GLU 43 2HG GLU 43 0.614 23.456 21.414 333 H ALA 44 H ALA 44 -2.110 24.044 17.252 334 HA ALA 44 HA ALA 44 -4.193 22.165 17.229 335 HB1 ALA 44 3HB ALA 44 -5.187 23.466 15.576 336 HB2 ALA 44 1HB ALA 44 -4.191 24.620 16.462 337 HB3 ALA 44 2HB ALA 44 -3.637 23.983 14.913 338 H ALA 45 H ALA 45 -1.468 22.642 15.009 339 HA ALA 45 HA ALA 45 -2.228 20.570 13.216 340 HB1 ALA 45 3HB ALA 45 0.564 20.959 13.063 341 HB2 ALA 45 1HB ALA 45 -0.687 21.587 11.990 342 HB3 ALA 45 2HB ALA 45 -0.167 22.530 13.387 343 H LYS 46 H LYS 46 -0.513 20.642 16.222 344 HA LYS 46 HA LYS 46 0.925 18.224 15.970 345 HB2 LYS 46 1HB LYS 46 0.765 20.222 17.852 346 HB3 LYS 46 2HB LYS 46 -0.005 18.872 18.675 347 HG2 LYS 46 1HG LYS 46 2.262 18.764 19.265 348 HG3 LYS 46 2HG LYS 46 2.035 17.507 18.047 349 HD2 LYS 46 1HD LYS 46 3.077 18.806 16.372 350 HD3 LYS 46 2HD LYS 46 2.995 20.272 17.351 351 HE2 LYS 46 1HE LYS 46 4.984 19.830 18.234 352 HE3 LYS 46 2HE LYS 46 4.416 18.259 18.796 353 HZ1 LYS 46 3HZ LYS 46 4.935 17.361 16.586 354 HZ2 LYS 46 1HZ LYS 46 6.306 17.978 17.363 355 HZ3 LYS 46 2HZ LYS 46 5.566 18.861 16.126 356 H LYS 47 H LYS 47 -2.316 18.971 17.161 357 HA LYS 47 HA LYS 47 -2.936 16.405 18.142 358 HB2 LYS 47 1HB LYS 47 -4.319 18.903 17.687 359 HB3 LYS 47 2HB LYS 47 -5.332 17.539 17.232 360 HG2 LYS 47 1HG LYS 47 -4.003 17.944 19.904 361 HG3 LYS 47 2HG LYS 47 -5.714 18.180 19.541 362 HD2 LYS 47 1HD LYS 47 -5.094 15.599 18.641 363 HD3 LYS 47 2HD LYS 47 -4.304 15.761 20.212 364 HE2 LYS 47 1HE LYS 47 -7.110 16.708 19.942 365 HE3 LYS 47 2HE LYS 47 -6.820 14.970 19.987 366 HZ1 LYS 47 3HZ LYS 47 -7.022 15.394 22.196 367 HZ2 LYS 47 1HZ LYS 47 -6.432 16.975 22.080 368 HZ3 LYS 47 2HZ LYS 47 -5.359 15.668 22.042 369 H ALA 48 H ALA 48 -2.889 17.738 14.941 370 HA ALA 48 HA ALA 48 -4.549 15.752 13.728 371 HB1 ALA 48 3HB ALA 48 -4.331 16.970 11.854 372 HB2 ALA 48 1HB ALA 48 -3.627 18.175 12.932 373 HB3 ALA 48 2HB ALA 48 -2.579 17.092 12.014 374 H GLU 49 H GLU 49 -1.078 16.153 14.213 375 HA GLU 49 HA GLU 49 -0.297 13.946 12.603 376 HB2 GLU 49 1HB GLU 49 1.154 15.322 14.871 377 HB3 GLU 49 2HB GLU 49 1.881 14.162 13.769 378 HG2 GLU 49 1HG GLU 49 0.770 16.012 12.070 379 HG3 GLU 49 2HG GLU 49 1.347 16.996 13.415 380 H GLU 50 H GLU 50 -1.222 14.312 15.961 381 HA GLU 50 HA GLU 50 -0.347 11.718 16.782 382 HB2 GLU 50 1HB GLU 50 -2.245 13.709 18.026 383 HB3 GLU 50 2HB GLU 50 -1.810 12.185 18.787 384 HG2 GLU 50 1HG GLU 50 0.555 13.592 17.986 385 HG3 GLU 50 2HG GLU 50 -0.474 14.636 18.964 386 H LEU 51 H LEU 51 -3.305 13.050 15.470 387 HA LEU 51 HA LEU 51 -4.936 10.779 16.051 388 HG LEU 51 HG LEU 51 -5.884 13.403 16.714 389 HB2 LEU 51 1HB LEU 51 -5.210 13.220 14.355 390 HB3 LEU 51 2HB LEU 51 -6.346 11.889 14.145 391 HD11 LEU 51 1HD1 LEU 51 -7.422 14.866 16.068 392 HD12 LEU 51 2HD1 LEU 51 -8.523 13.580 15.575 393 HD13 LEU 51 3HD1 LEU 51 -7.309 14.180 14.446 394 HD21 LEU 51 3HD2 LEU 51 -7.815 11.213 15.970 395 HD22 LEU 51 1HD2 LEU 51 -7.947 12.201 17.424 396 HD23 LEU 51 2HD2 LEU 51 -6.547 11.153 17.195 397 H PHE 52 H PHE 52 -2.809 11.699 13.452 398 HA PHE 52 HA PHE 52 -3.723 10.042 11.410 399 HD1 PHE 52 HD1 PHE 52 -1.907 8.961 9.360 400 HD2 PHE 52 HD2 PHE 52 -2.055 13.139 10.162 401 HE1 PHE 52 HE1 PHE 52 -2.317 9.401 6.974 402 HE2 PHE 52 HE2 PHE 52 -2.467 13.585 7.777 403 HZ PHE 52 HZ PHE 52 -2.599 11.715 6.180 404 HB2 PHE 52 1HB PHE 52 -1.490 11.692 11.858 405 HB3 PHE 52 2HB PHE 52 -0.837 10.108 11.453 406 H LYS 53 H LYS 53 -1.794 9.313 14.240 407 HA LYS 53 HA LYS 53 -0.832 6.789 13.491 408 HB2 LYS 53 1HB LYS 53 -0.031 8.044 15.460 409 HB3 LYS 53 2HB LYS 53 -1.574 7.767 16.256 410 HG2 LYS 53 1HG LYS 53 -0.848 5.835 17.044 411 HG3 LYS 53 2HG LYS 53 -0.529 5.259 15.406 412 HD2 LYS 53 1HD LYS 53 1.598 5.155 16.171 413 HD3 LYS 53 2HD LYS 53 1.597 6.867 15.745 414 HE2 LYS 53 1HE LYS 53 0.521 6.740 18.320 415 HE3 LYS 53 2HE LYS 53 1.877 5.614 18.328 416 HZ1 LYS 53 3HZ LYS 53 2.965 7.529 18.813 417 HZ2 LYS 53 1HZ LYS 53 1.870 8.515 17.980 418 HZ3 LYS 53 2HZ LYS 53 3.034 7.634 17.125 419 H LEU 54 H LEU 54 -3.803 7.703 15.213 420 HA LEU 54 HA LEU 54 -4.742 4.994 15.357 421 HG LEU 54 HG LEU 54 -4.982 5.285 17.561 422 HB2 LEU 54 1HB LEU 54 -5.813 7.672 16.097 423 HB3 LEU 54 2HB LEU 54 -6.940 6.326 15.939 424 HD11 LEU 54 1HD1 LEU 54 -5.092 8.224 17.896 425 HD12 LEU 54 2HD1 LEU 54 -3.771 7.094 18.191 426 HD13 LEU 54 3HD1 LEU 54 -5.083 7.242 19.360 427 HD21 LEU 54 3HD2 LEU 54 -7.368 4.995 17.852 428 HD22 LEU 54 1HD2 LEU 54 -7.543 6.686 18.321 429 HD23 LEU 54 2HD2 LEU 54 -6.645 5.573 19.354 430 H ALA 55 H ALA 55 -5.233 7.746 13.245 431 HA ALA 55 HA ALA 55 -7.506 6.849 11.869 432 HB1 ALA 55 3HB ALA 55 -6.511 9.146 11.762 433 HB2 ALA 55 1HB ALA 55 -5.277 8.492 10.686 434 HB3 ALA 55 2HB ALA 55 -6.973 8.465 10.203 435 H GLU 56 H GLU 56 -4.136 5.990 11.590 436 HA GLU 56 HA GLU 56 -4.257 4.779 9.033 437 HB2 GLU 56 1HB GLU 56 -2.285 5.264 10.974 438 HB3 GLU 56 2HB GLU 56 -2.318 3.519 10.761 439 HG2 GLU 56 1HG GLU 56 -1.423 3.622 8.713 440 HG3 GLU 56 2HG GLU 56 -2.362 5.044 8.262 441 H GLU 57 H GLU 57 -4.511 3.453 12.320 442 HA GLU 57 HA GLU 57 -4.899 0.769 11.478 443 HB2 GLU 57 1HB GLU 57 -4.852 2.240 13.988 444 HB3 GLU 57 2HB GLU 57 -6.089 0.990 13.981 445 HG2 GLU 57 1HG GLU 57 -4.530 -0.497 14.460 446 HG3 GLU 57 2HG GLU 57 -3.790 -0.187 12.891 447 H ARG 58 H ARG 58 -7.006 3.496 11.881 448 HA ARG 58 HA ARG 58 -9.429 1.930 11.896 449 HE ARG 58 HE ARG 58 -12.317 4.737 12.317 450 HB2 ARG 58 1HB ARG 58 -8.716 4.791 12.094 451 HB3 ARG 58 2HB ARG 58 -10.269 4.446 11.343 452 HG2 ARG 58 1HG ARG 58 -9.446 3.354 14.021 453 HG3 ARG 58 2HG ARG 58 -10.338 4.862 13.809 454 HD2 ARG 58 1HD ARG 58 -11.233 2.132 12.890 455 HD3 ARG 58 2HD ARG 58 -11.833 2.991 14.309 456 HH11 ARG 58 1HH1 ARG 58 -13.018 1.350 12.705 457 HH12 ARG 58 2HH1 ARG 58 -14.456 1.402 11.738 458 HH21 ARG 58 2HH2 ARG 58 -15.129 3.377 10.793 459 HH22 ARG 58 1HH2 ARG 58 -14.206 4.820 11.043 460 H LEU 59 H LEU 59 -8.551 4.596 9.714 461 HA LEU 59 HA LEU 59 -10.184 3.849 7.613 462 HG LEU 59 HG LEU 59 -10.489 6.149 6.910 463 HB2 LEU 59 1HB LEU 59 -7.695 5.475 7.817 464 HB3 LEU 59 2HB LEU 59 -8.329 5.084 6.220 465 HD11 LEU 59 1HD1 LEU 59 -8.903 6.585 9.383 466 HD12 LEU 59 2HD1 LEU 59 -10.620 6.238 9.184 467 HD13 LEU 59 3HD1 LEU 59 -10.005 7.859 8.861 468 HD21 LEU 59 3HD2 LEU 59 -7.970 7.391 6.262 469 HD22 LEU 59 1HD2 LEU 59 -8.990 8.484 7.198 470 HD23 LEU 59 2HD2 LEU 59 -9.595 7.782 5.697 471 H LYS 60 H LYS 60 -6.874 2.858 8.321 472 HA LYS 60 HA LYS 60 -5.594 1.148 7.541 473 HB2 LYS 60 1HB LYS 60 -7.990 0.034 7.865 474 HB3 LYS 60 2HB LYS 60 -7.888 -0.110 6.114 475 HG2 LYS 60 1HG LYS 60 -5.429 -0.974 7.305 476 HG3 LYS 60 2HG LYS 60 -6.792 -1.814 8.049 477 HD2 LYS 60 1HD LYS 60 -6.478 -1.566 5.067 478 HD3 LYS 60 2HD LYS 60 -5.770 -2.896 5.988 479 HE2 LYS 60 1HE LYS 60 -8.483 -2.605 6.784 480 HE3 LYS 60 2HE LYS 60 -8.427 -2.618 5.022 481 HZ1 LYS 60 3HZ LYS 60 -7.971 -4.757 6.876 482 HZ2 LYS 60 1HZ LYS 60 -6.736 -4.621 5.728 483 HZ3 LYS 60 2HZ LYS 60 -8.340 -4.819 5.226 484 H LYS 61 H LYS 61 -4.956 -0.035 5.442 485 HA LYS 61 HA LYS 61 -5.622 1.468 3.034 486 HB2 LYS 61 1HB LYS 61 -3.212 1.779 2.487 487 HB3 LYS 61 2HB LYS 61 -3.743 2.718 3.876 488 HG2 LYS 61 1HG LYS 61 -2.830 0.846 5.316 489 HG3 LYS 61 2HG LYS 61 -2.064 0.230 3.849 490 HD2 LYS 61 1HD LYS 61 -1.493 2.990 3.973 491 HD3 LYS 61 2HD LYS 61 -1.204 2.337 5.587 492 HE2 LYS 61 1HE LYS 61 0.807 1.778 4.758 493 HE3 LYS 61 2HE LYS 61 -0.061 0.428 4.029 494 HZ1 LYS 61 3HZ LYS 61 1.354 2.414 2.724 495 HZ2 LYS 61 1HZ LYS 61 -0.277 2.722 2.391 496 HZ3 LYS 61 2HZ LYS 61 0.391 1.212 2.024 497 H LEU 62 H LEU 62 -5.263 0.343 1.122 498 HA LEU 62 HA LEU 62 -5.048 -2.527 1.433 499 HG LEU 62 HG LEU 62 -6.081 -3.801 -0.408 500 HB2 LEU 62 1HB LEU 62 -6.386 -0.811 -0.312 501 HB3 LEU 62 2HB LEU 62 -5.165 -1.606 -1.302 502 HD11 LEU 62 1HD1 LEU 62 -8.598 -3.467 0.187 503 HD12 LEU 62 2HD1 LEU 62 -8.063 -1.869 0.707 504 HD13 LEU 62 3HD1 LEU 62 -7.364 -3.313 1.437 505 HD21 LEU 62 3HD2 LEU 62 -8.212 -3.504 -1.897 506 HD22 LEU 62 1HD2 LEU 62 -6.603 -3.433 -2.615 507 HD23 LEU 62 2HD2 LEU 62 -7.483 -1.943 -2.273 508 HA MET 1 HA MET 1 -8.131 45.052 16.405 509 H1 MET 1 1H MET 1 -6.150 44.282 17.402 510 HB2 MET 1 1HB MET 1 -6.834 46.838 17.757 511 HB3 MET 1 2HB MET 1 -6.478 47.553 16.191 512 HG2 MET 1 1HG MET 1 -8.368 48.687 16.506 513 HG3 MET 1 2HG MET 1 -9.162 47.192 16.018 514 HE1 MET 1 3HE MET 1 -10.871 49.203 19.132 515 HE2 MET 1 1HE MET 1 -10.259 49.580 17.522 516 HE3 MET 1 2HE MET 1 -11.489 48.334 17.727 517 H LYS 2 H LYS 2 -7.743 43.761 14.379 518 HA LYS 2 HA LYS 2 -7.873 43.589 12.116 519 HB2 LYS 2 1HB LYS 2 -8.946 46.196 12.760 520 HB3 LYS 2 2HB LYS 2 -8.149 46.226 11.192 521 HG2 LYS 2 1HG LYS 2 -9.546 44.481 10.364 522 HG3 LYS 2 2HG LYS 2 -10.226 44.194 11.968 523 HD2 LYS 2 1HD LYS 2 -10.777 46.823 11.656 524 HD3 LYS 2 2HD LYS 2 -10.859 46.276 9.980 525 HE2 LYS 2 1HE LYS 2 -12.604 44.801 10.419 526 HE3 LYS 2 2HE LYS 2 -12.266 44.764 12.149 527 HZ1 LYS 2 3HZ LYS 2 -14.126 46.089 12.036 528 HZ2 LYS 2 1HZ LYS 2 -13.670 46.818 10.578 529 HZ3 LYS 2 2HZ LYS 2 -12.898 47.253 12.019 530 H LYS 3 H LYS 3 -5.328 44.430 13.577 531 HA LYS 3 HA LYS 3 -3.861 45.512 11.266 532 HB2 LYS 3 1HB LYS 3 -2.041 45.911 13.020 533 HB3 LYS 3 2HB LYS 3 -3.470 46.932 13.099 534 HG2 LYS 3 1HG LYS 3 -4.296 45.836 14.987 535 HG3 LYS 3 2HG LYS 3 -3.239 44.441 14.748 536 HD2 LYS 3 1HD LYS 3 -2.278 45.627 16.532 537 HD3 LYS 3 2HD LYS 3 -1.302 46.060 15.127 538 HE2 LYS 3 1HE LYS 3 -1.937 48.215 15.200 539 HE3 LYS 3 2HE LYS 3 -3.608 47.810 15.589 540 HZ1 LYS 3 3HZ LYS 3 -1.315 48.062 17.443 541 HZ2 LYS 3 1HZ LYS 3 -2.753 47.290 17.891 542 HZ3 LYS 3 2HZ LYS 3 -2.771 48.924 17.455 543 H LEU 4 H LEU 4 -4.087 42.846 13.506 544 HA LEU 4 HA LEU 4 -2.761 41.059 11.784 545 HG LEU 4 HG LEU 4 -1.858 42.767 14.835 546 HB2 LEU 4 1HB LEU 4 -0.806 40.584 13.303 547 HB3 LEU 4 2HB LEU 4 -0.717 42.067 12.355 548 HD11 LEU 4 1HD1 LEU 4 -0.975 40.622 15.681 549 HD12 LEU 4 2HD1 LEU 4 -0.219 42.023 16.437 550 HD13 LEU 4 3HD1 LEU 4 0.643 41.122 15.189 551 HD21 LEU 4 3HD2 LEU 4 0.818 43.199 13.535 552 HD22 LEU 4 1HD2 LEU 4 0.381 43.939 15.076 553 HD23 LEU 4 2HD2 LEU 4 -0.552 44.308 13.626 554 H ARG 5 H ARG 5 -3.631 41.826 15.116 555 HA ARG 5 HA ARG 5 -3.772 39.195 16.091 556 HE ARG 5 HE ARG 5 -3.278 43.482 19.138 557 HB2 ARG 5 1HB ARG 5 -4.685 41.852 16.954 558 HB3 ARG 5 2HB ARG 5 -5.675 40.524 17.543 559 HG2 ARG 5 1HG ARG 5 -4.194 40.437 19.211 560 HG3 ARG 5 2HG ARG 5 -3.173 39.590 18.046 561 HD2 ARG 5 1HD ARG 5 -1.685 41.197 18.571 562 HD3 ARG 5 2HD ARG 5 -2.612 42.152 17.413 563 HH11 ARG 5 1HH1 ARG 5 -2.241 40.423 20.436 564 HH12 ARG 5 2HH1 ARG 5 -2.411 40.918 22.088 565 HH21 ARG 5 2HH2 ARG 5 -3.132 43.036 22.583 566 HH22 ARG 5 1HH2 ARG 5 -3.506 44.146 21.308 567 H GLU 6 H GLU 6 -6.318 41.309 14.776 568 HA GLU 6 HA GLU 6 -8.395 39.410 14.980 569 HB2 GLU 6 1HB GLU 6 -8.776 41.836 14.718 570 HB3 GLU 6 2HB GLU 6 -8.153 41.746 13.077 571 HG2 GLU 6 1HG GLU 6 -10.665 41.779 13.343 572 HG3 GLU 6 2HG GLU 6 -9.992 40.511 12.323 573 H GLU 7 H GLU 7 -6.063 40.138 12.449 574 HA GLU 7 HA GLU 7 -7.210 38.653 10.371 575 HB2 GLU 7 1HB GLU 7 -5.148 40.278 10.420 576 HB3 GLU 7 2HB GLU 7 -4.239 38.799 10.696 577 HG2 GLU 7 1HG GLU 7 -4.187 39.205 8.374 578 HG3 GLU 7 2HG GLU 7 -5.312 37.872 8.627 579 H ALA 8 H ALA 8 -5.006 37.700 12.963 580 HA ALA 8 HA ALA 8 -4.481 35.088 12.072 581 HB1 ALA 8 3HB ALA 8 -3.952 36.661 14.414 582 HB2 ALA 8 1HB ALA 8 -4.431 35.026 14.871 583 HB3 ALA 8 2HB ALA 8 -3.070 35.273 13.776 584 H ALA 9 H ALA 9 -6.828 36.229 14.504 585 HA ALA 9 HA ALA 9 -8.023 33.799 15.084 586 HB1 ALA 9 3HB ALA 9 -8.645 35.513 16.500 587 HB2 ALA 9 1HB ALA 9 -8.990 36.625 15.174 588 HB3 ALA 9 2HB ALA 9 -10.100 35.299 15.527 589 H LYS 10 H LYS 10 -8.457 35.896 12.327 590 HA LYS 10 HA LYS 10 -10.852 34.656 11.378 591 HB2 LYS 10 1HB LYS 10 -10.408 36.910 10.700 592 HB3 LYS 10 2HB LYS 10 -8.830 36.468 10.060 593 HG2 LYS 10 1HG LYS 10 -10.885 34.911 8.796 594 HG3 LYS 10 2HG LYS 10 -11.249 36.634 8.674 595 HD2 LYS 10 1HD LYS 10 -9.356 37.082 7.443 596 HD3 LYS 10 2HD LYS 10 -8.479 35.693 8.088 597 HE2 LYS 10 1HE LYS 10 -8.946 34.724 6.125 598 HE3 LYS 10 2HE LYS 10 -10.565 34.502 6.784 599 HZ1 LYS 10 3HZ LYS 10 -9.717 36.136 4.617 600 HZ2 LYS 10 1HZ LYS 10 -10.542 37.054 5.774 601 HZ3 LYS 10 2HZ LYS 10 -11.284 35.702 5.081 602 H LEU 11 H LEU 11 -7.406 34.291 10.701 603 HA LEU 11 HA LEU 11 -7.615 32.553 8.512 604 HG LEU 11 HG LEU 11 -5.608 32.457 7.459 605 HB2 LEU 11 1HB LEU 11 -5.557 33.548 10.236 606 HB3 LEU 11 2HB LEU 11 -5.332 31.818 9.987 607 HD11 LEU 11 1HD1 LEU 11 -4.887 34.633 6.871 608 HD12 LEU 11 2HD1 LEU 11 -4.492 35.031 8.542 609 HD13 LEU 11 3HD1 LEU 11 -6.176 34.835 8.057 610 HD21 LEU 11 3HD2 LEU 11 -3.610 31.482 8.518 611 HD22 LEU 11 1HD2 LEU 11 -3.092 33.101 8.993 612 HD23 LEU 11 2HD2 LEU 11 -3.202 32.677 7.285 613 H PHE 12 H PHE 12 -7.830 31.996 11.954 614 HA PHE 12 HA PHE 12 -7.425 29.253 12.075 615 HD1 PHE 12 HD1 PHE 12 -6.126 31.327 13.156 616 HD2 PHE 12 HD2 PHE 12 -8.259 29.002 16.012 617 HE1 PHE 12 HE1 PHE 12 -4.121 31.244 14.581 618 HE2 PHE 12 HE2 PHE 12 -6.258 28.915 17.442 619 HZ PHE 12 HZ PHE 12 -4.186 30.038 16.727 620 HB2 PHE 12 1HB PHE 12 -8.977 31.208 13.704 621 HB3 PHE 12 2HB PHE 12 -9.254 29.493 13.988 622 H GLU 13 H GLU 13 -10.294 31.072 11.152 623 HA GLU 13 HA GLU 13 -12.123 28.943 11.103 624 HB2 GLU 13 1HB GLU 13 -12.725 31.357 10.976 625 HB3 GLU 13 2HB GLU 13 -12.114 31.388 9.327 626 HG2 GLU 13 1HG GLU 13 -14.067 29.276 9.804 627 HG3 GLU 13 2HG GLU 13 -14.699 30.902 10.065 628 H GLU 14 H GLU 14 -9.699 29.991 8.818 629 HA GLU 14 HA GLU 14 -10.541 28.779 6.486 630 HB2 GLU 14 1HB GLU 14 -7.696 28.900 7.503 631 HB3 GLU 14 2HB GLU 14 -8.193 28.692 5.829 632 HG2 GLU 14 1HG GLU 14 -8.775 31.119 7.511 633 HG3 GLU 14 2HG GLU 14 -7.459 30.983 6.347 634 H TRP 15 H TRP 15 -8.895 27.341 9.256 635 HA TRP 15 HA TRP 15 -8.344 24.828 8.170 636 HD1 TRP 15 HD1 TRP 15 -6.353 26.008 8.455 637 HE1 TRP 15 HE1 TRP 15 -4.441 27.332 9.559 638 HE3 TRP 15 HE3 TRP 15 -7.943 25.834 13.311 639 HZ2 TRP 15 HZ2 TRP 15 -3.705 28.189 12.147 640 HZ3 TRP 15 HZ3 TRP 15 -6.577 26.930 15.039 641 HH2 TRP 15 HH2 TRP 15 -4.502 28.081 14.467 642 HB2 TRP 15 1HB TRP 15 -9.089 25.412 11.042 643 HB3 TRP 15 2HB TRP 15 -8.151 24.043 10.452 644 H LYS 16 H LYS 16 -11.209 25.961 9.940 645 HA LYS 16 HA LYS 16 -12.603 23.513 9.877 646 HB2 LYS 16 1HB LYS 16 -13.474 26.373 10.216 647 HB3 LYS 16 2HB LYS 16 -14.642 25.059 10.186 648 HG2 LYS 16 1HG LYS 16 -13.952 24.212 12.199 649 HG3 LYS 16 2HG LYS 16 -12.324 24.878 12.044 650 HD2 LYS 16 1HD LYS 16 -13.475 26.103 13.752 651 HD3 LYS 16 2HD LYS 16 -13.302 27.152 12.343 652 HE2 LYS 16 1HE LYS 16 -15.593 26.713 11.696 653 HE3 LYS 16 2HE LYS 16 -15.776 25.563 13.019 654 HZ1 LYS 16 3HZ LYS 16 -15.055 28.382 13.526 655 HZ2 LYS 16 1HZ LYS 16 -15.725 27.254 14.595 656 HZ3 LYS 16 2HZ LYS 16 -16.669 27.908 13.352 657 H LYS 17 H LYS 17 -12.215 26.061 7.542 658 HA LYS 17 HA LYS 17 -14.413 25.594 5.891 659 HB2 LYS 17 1HB LYS 17 -12.286 27.301 5.840 660 HB3 LYS 17 2HB LYS 17 -11.893 26.230 4.502 661 HG2 LYS 17 1HG LYS 17 -14.029 26.707 3.458 662 HG3 LYS 17 2HG LYS 17 -14.484 27.731 4.822 663 HD2 LYS 17 1HD LYS 17 -13.386 29.472 3.969 664 HD3 LYS 17 2HD LYS 17 -11.920 28.513 3.752 665 HE2 LYS 17 1HE LYS 17 -13.229 27.536 1.706 666 HE3 LYS 17 2HE LYS 17 -14.159 29.027 1.845 667 HZ1 LYS 17 3HZ LYS 17 -11.242 29.235 1.859 668 HZ2 LYS 17 1HZ LYS 17 -12.398 30.295 1.223 669 HZ3 LYS 17 2HZ LYS 17 -11.994 28.882 0.385 670 H LEU 18 H LEU 18 -11.148 24.187 5.738 671 HA LEU 18 HA LEU 18 -11.813 22.435 3.576 672 HG LEU 18 HG LEU 18 -8.200 22.483 3.146 673 HB2 LEU 18 1HB LEU 18 -9.467 23.158 5.091 674 HB3 LEU 18 2HB LEU 18 -9.562 21.412 4.875 675 HD11 LEU 18 1HD1 LEU 18 -10.689 21.004 2.515 676 HD12 LEU 18 2HD1 LEU 18 -9.004 20.555 2.258 677 HD13 LEU 18 3HD1 LEU 18 -9.789 21.696 1.166 678 HD21 LEU 18 3HD2 LEU 18 -10.693 23.781 2.094 679 HD22 LEU 18 1HD2 LEU 18 -9.013 24.076 1.644 680 HD23 LEU 18 2HD2 LEU 18 -9.614 24.620 3.211 681 H ALA 19 H ALA 19 -11.790 22.211 7.065 682 HA ALA 19 HA ALA 19 -11.895 19.426 7.351 683 HB1 ALA 19 3HB ALA 19 -12.931 21.664 9.068 684 HB2 ALA 19 1HB ALA 19 -13.059 19.969 9.538 685 HB3 ALA 19 2HB ALA 19 -11.472 20.698 9.288 686 H GLU 20 H GLU 20 -14.484 21.809 6.925 687 HA GLU 20 HA GLU 20 -16.631 19.994 7.195 688 HB2 GLU 20 1HB GLU 20 -16.427 22.701 6.985 689 HB3 GLU 20 2HB GLU 20 -17.042 22.289 5.391 690 HG2 GLU 20 1HG GLU 20 -18.844 20.966 6.581 691 HG3 GLU 20 2HG GLU 20 -18.306 21.762 8.061 692 H GLU 21 H GLU 21 -14.730 21.059 4.426 693 HA GLU 21 HA GLU 21 -16.337 19.822 2.444 694 HB2 GLU 21 1HB GLU 21 -13.584 20.971 2.539 695 HB3 GLU 21 2HB GLU 21 -14.015 19.948 1.176 696 HG2 GLU 21 1HG GLU 21 -16.143 21.742 1.495 697 HG3 GLU 21 2HG GLU 21 -14.667 22.691 1.668 698 H ALA 22 H ALA 22 -13.655 18.732 4.421 699 HA ALA 22 HA ALA 22 -13.119 16.338 3.001 700 HB1 ALA 22 3HB ALA 22 -12.615 16.726 5.936 701 HB2 ALA 22 1HB ALA 22 -11.704 15.755 4.779 702 HB3 ALA 22 2HB ALA 22 -11.633 17.515 4.703 703 H ALA 23 H ALA 23 -15.419 17.208 5.484 704 HA ALA 23 HA ALA 23 -16.133 14.537 6.196 705 HB1 ALA 23 3HB ALA 23 -18.279 16.304 6.747 706 HB2 ALA 23 1HB ALA 23 -17.103 15.621 7.869 707 HB3 ALA 23 2HB ALA 23 -16.774 17.162 7.077 708 H LYS 24 H LYS 24 -17.199 16.828 3.782 709 HA LYS 24 HA LYS 24 -19.622 15.499 3.102 710 HB2 LYS 24 1HB LYS 24 -18.696 17.932 2.545 711 HB3 LYS 24 2HB LYS 24 -18.162 17.126 1.076 712 HG2 LYS 24 1HG LYS 24 -20.463 16.409 0.639 713 HG3 LYS 24 2HG LYS 24 -20.992 17.246 2.101 714 HD2 LYS 24 1HD LYS 24 -19.502 19.113 0.620 715 HD3 LYS 24 2HD LYS 24 -20.554 18.293 -0.536 716 HE2 LYS 24 1HE LYS 24 -22.047 19.841 0.145 717 HE3 LYS 24 2HE LYS 24 -22.298 18.706 1.469 718 HZ1 LYS 24 3HZ LYS 24 -20.694 21.191 1.473 719 HZ2 LYS 24 1HZ LYS 24 -20.499 20.003 2.660 720 HZ3 LYS 24 2HZ LYS 24 -21.991 20.778 2.477 721 H LEU 25 H LEU 25 -16.289 15.185 2.091 722 HA LEU 25 HA LEU 25 -16.820 13.570 -0.202 723 HG LEU 25 HG LEU 25 -15.226 15.175 -1.178 724 HB2 LEU 25 1HB LEU 25 -14.496 14.602 1.211 725 HB3 LEU 25 2HB LEU 25 -14.250 12.964 0.607 726 HD11 LEU 25 1HD1 LEU 25 -13.095 15.847 -0.092 727 HD12 LEU 25 2HD1 LEU 25 -12.967 15.629 -1.836 728 HD13 LEU 25 3HD1 LEU 25 -12.350 14.389 -0.745 729 HD21 LEU 25 3HD2 LEU 25 -15.529 13.161 -2.266 730 HD22 LEU 25 1HD2 LEU 25 -14.107 12.426 -1.527 731 HD23 LEU 25 2HD2 LEU 25 -13.915 13.627 -2.804 732 H LEU 26 H LEU 26 -16.286 12.951 3.195 733 HA LEU 26 HA LEU 26 -15.921 10.119 2.875 734 HG LEU 26 HG LEU 26 -14.006 11.683 4.254 735 HB2 LEU 26 1HB LEU 26 -16.311 11.939 5.222 736 HB3 LEU 26 2HB LEU 26 -16.352 10.189 5.416 737 HD11 LEU 26 1HD1 LEU 26 -14.007 10.558 7.011 738 HD12 LEU 26 2HD1 LEU 26 -14.716 12.148 6.731 739 HD13 LEU 26 3HD1 LEU 26 -13.028 11.850 6.319 740 HD21 LEU 26 3HD2 LEU 26 -13.884 9.449 3.573 741 HD22 LEU 26 1HD2 LEU 26 -14.509 8.850 5.110 742 HD23 LEU 26 2HD2 LEU 26 -12.877 9.515 5.022 743 H GLU 27 H GLU 27 -18.600 12.277 3.292 744 HA GLU 27 HA GLU 27 -20.455 10.249 4.142 745 HB2 GLU 27 1HB GLU 27 -20.674 13.134 3.365 746 HB3 GLU 27 2HB GLU 27 -22.125 12.148 3.469 747 HG2 GLU 27 1HG GLU 27 -20.282 12.029 5.771 748 HG3 GLU 27 2HG GLU 27 -21.148 13.544 5.522 749 H GLY 28 H GLY 28 -19.431 11.667 1.116 750 HA2 GLY 28 1HA GLY 28 -19.819 11.019 -1.054 751 HA3 GLY 28 2HA GLY 28 -20.502 9.534 -0.410 752 H GLY 29 H GLY 29 -21.803 12.606 0.561 753 HA2 GLY 29 1HA GLY 29 -23.581 13.600 -0.981 754 HA3 GLY 29 2HA GLY 29 -24.240 11.970 -0.974 755 H GLY 30 H GLY 30 -23.878 11.311 1.717 756 HA2 GLY 30 1HA GLY 30 -26.183 12.439 2.866 757 HA3 GLY 30 2HA GLY 30 -24.989 11.471 3.718 758 H GLY 31 H GLY 31 -26.122 13.371 5.173 759 HA2 GLY 31 1HA GLY 31 -23.908 15.095 5.801 760 HA3 GLY 31 2HA GLY 31 -25.287 15.968 5.149 761 H GLY 32 H GLY 32 -23.969 15.859 7.873 762 HA2 GLY 32 1HA GLY 32 -25.263 16.597 9.800 763 HA3 GLY 32 2HA GLY 32 -26.460 15.380 9.382 764 H GLY 33 H GLY 33 -25.377 13.072 9.228 765 HA2 GLY 33 1HA GLY 33 -23.170 12.366 10.746 766 HA3 GLY 33 2HA GLY 33 -24.519 12.460 11.869 767 H GLY 34 H GLY 34 -23.452 10.933 8.852 768 HA2 GLY 34 1HA GLY 34 -25.409 8.786 9.291 769 HA3 GLY 34 2HA GLY 34 -24.546 9.094 7.793 770 H GLY 35 H GLY 35 -21.957 9.389 9.136 771 HA2 GLY 35 1HA GLY 35 -21.526 6.657 10.141 772 HA3 GLY 35 2HA GLY 35 -20.578 7.235 8.778 773 H GLU 36 H GLU 36 -19.120 6.412 10.798 774 HA GLU 36 HA GLU 36 -18.605 8.447 12.754 775 HB2 GLU 36 1HB GLU 36 -18.180 6.175 13.381 776 HB3 GLU 36 2HB GLU 36 -17.136 5.924 11.989 777 HG2 GLU 36 1HG GLU 36 -15.490 7.440 12.911 778 HG3 GLU 36 2HG GLU 36 -16.548 7.790 14.276 779 H LEU 37 H LEU 37 -17.282 7.534 9.646 780 HA LEU 37 HA LEU 37 -14.847 8.859 9.691 781 HG LEU 37 HG LEU 37 -14.992 6.851 6.597 782 HB2 LEU 37 1HB LEU 37 -16.776 8.092 7.568 783 HB3 LEU 37 2HB LEU 37 -15.496 9.227 7.142 784 HD11 LEU 37 1HD1 LEU 37 -12.721 6.921 7.373 785 HD12 LEU 37 2HD1 LEU 37 -13.150 8.049 8.659 786 HD13 LEU 37 3HD1 LEU 37 -13.238 8.559 6.973 787 HD21 LEU 37 3HD2 LEU 37 -14.364 5.357 8.448 788 HD22 LEU 37 1HD2 LEU 37 -16.077 5.776 8.479 789 HD23 LEU 37 2HD2 LEU 37 -14.958 6.554 9.599 790 H MET 38 H MET 38 -18.083 10.126 9.304 791 HA MET 38 HA MET 38 -17.243 12.732 8.453 792 HB2 MET 38 1HB MET 38 -19.505 11.640 8.012 793 HB3 MET 38 2HB MET 38 -19.906 12.030 9.678 794 HG2 MET 38 1HG MET 38 -18.988 14.422 8.714 795 HG3 MET 38 2HG MET 38 -19.818 13.735 7.321 796 HE1 MET 38 3HE MET 38 -21.762 16.504 9.513 797 HE2 MET 38 1HE MET 38 -20.363 16.281 8.463 798 HE3 MET 38 2HE MET 38 -21.991 16.086 7.814 799 H LYS 39 H LYS 39 -17.882 11.166 11.504 800 HA LYS 39 HA LYS 39 -17.986 13.583 13.042 801 HB2 LYS 39 1HB LYS 39 -19.125 11.663 13.909 802 HB3 LYS 39 2HB LYS 39 -17.672 10.680 13.806 803 HG2 LYS 39 1HG LYS 39 -17.180 12.982 15.442 804 HG3 LYS 39 2HG LYS 39 -18.615 12.125 16.009 805 HD2 LYS 39 1HD LYS 39 -17.391 10.079 16.221 806 HD3 LYS 39 2HD LYS 39 -15.979 10.782 15.430 807 HE2 LYS 39 1HE LYS 39 -16.307 12.524 17.460 808 HE3 LYS 39 2HE LYS 39 -16.942 11.059 18.206 809 HZ1 LYS 39 3HZ LYS 39 -14.332 11.737 18.091 810 HZ2 LYS 39 1HZ LYS 39 -14.467 10.664 16.790 811 HZ3 LYS 39 2HZ LYS 39 -14.914 10.168 18.344 812 H LEU 40 H LEU 40 -15.505 11.284 12.117 813 HA LEU 40 HA LEU 40 -13.497 12.050 13.914 814 HG LEU 40 HG LEU 40 -13.279 9.503 13.678 815 HB2 LEU 40 1HB LEU 40 -13.684 10.539 11.429 816 HB3 LEU 40 2HB LEU 40 -12.147 11.380 11.609 817 HD11 LEU 40 1HD1 LEU 40 -10.998 8.752 11.930 818 HD12 LEU 40 2HD1 LEU 40 -12.631 8.610 11.282 819 HD13 LEU 40 3HD1 LEU 40 -12.186 7.734 12.746 820 HD21 LEU 40 3HD2 LEU 40 -11.065 9.547 14.608 821 HD22 LEU 40 1HD2 LEU 40 -11.642 11.205 14.440 822 HD23 LEU 40 2HD2 LEU 40 -10.482 10.555 13.282 823 H CYS 41 H CYS 41 -14.348 13.303 10.713 824 HA CYS 41 HA CYS 41 -12.199 15.157 10.572 825 HG CYS 41 HG CYS 41 -11.742 13.765 8.568 826 HB2 CYS 41 1HB CYS 41 -14.710 14.673 9.042 827 HB3 CYS 41 2HB CYS 41 -13.930 16.238 8.860 828 H GLU 42 H GLU 42 -15.648 15.519 11.370 829 HA GLU 42 HA GLU 42 -15.601 18.273 11.872 830 HB2 GLU 42 1HB GLU 42 -17.667 16.945 11.600 831 HB3 GLU 42 2HB GLU 42 -17.367 16.181 13.154 832 HG2 GLU 42 1HG GLU 42 -17.278 18.802 13.839 833 HG3 GLU 42 2HG GLU 42 -18.461 18.825 12.531 834 H GLU 43 H GLU 43 -14.672 15.550 13.848 835 HA GLU 43 HA GLU 43 -14.711 16.635 16.385 836 HB2 GLU 43 1HB GLU 43 -13.550 14.371 15.121 837 HB3 GLU 43 2HB GLU 43 -12.297 15.131 16.092 838 HG2 GLU 43 1HG GLU 43 -14.798 14.957 17.530 839 HG3 GLU 43 2HG GLU 43 -14.251 13.378 16.969 840 H ALA 44 H ALA 44 -12.092 16.816 13.985 841 HA ALA 44 HA ALA 44 -10.315 18.333 15.543 842 HB1 ALA 44 3HB ALA 44 -9.022 17.874 13.802 843 HB2 ALA 44 1HB ALA 44 -10.424 17.330 12.880 844 HB3 ALA 44 2HB ALA 44 -9.938 19.025 12.828 845 H ALA 45 H ALA 45 -13.001 19.258 13.480 846 HA ALA 45 HA ALA 45 -12.423 22.038 13.408 847 HB1 ALA 45 3HB ALA 45 -15.241 21.437 13.170 848 HB2 ALA 45 1HB ALA 45 -14.123 22.097 11.976 849 HB3 ALA 45 2HB ALA 45 -14.258 20.350 12.189 850 H LYS 46 H LYS 46 -14.120 19.966 15.650 851 HA LYS 46 HA LYS 46 -15.511 21.980 17.067 852 HB2 LYS 46 1HB LYS 46 -15.127 19.147 17.258 853 HB3 LYS 46 2HB LYS 46 -14.875 19.865 18.844 854 HG2 LYS 46 1HG LYS 46 -17.231 20.887 17.455 855 HG3 LYS 46 2HG LYS 46 -17.289 19.154 17.785 856 HD2 LYS 46 1HD LYS 46 -16.662 19.694 20.161 857 HD3 LYS 46 2HD LYS 46 -16.904 21.396 19.762 858 HE2 LYS 46 1HE LYS 46 -18.983 20.909 20.556 859 HE3 LYS 46 2HE LYS 46 -19.219 20.469 18.866 860 HZ1 LYS 46 3HZ LYS 46 -19.981 18.587 19.824 861 HZ2 LYS 46 1HZ LYS 46 -19.045 18.763 21.221 862 HZ3 LYS 46 2HZ LYS 46 -18.344 18.166 19.803 863 H LYS 47 H LYS 47 -12.269 20.667 17.316 864 HA LYS 47 HA LYS 47 -11.573 21.712 19.825 865 HB2 LYS 47 1HB LYS 47 -10.167 20.593 17.507 866 HB3 LYS 47 2HB LYS 47 -9.216 21.760 18.417 867 HG2 LYS 47 1HG LYS 47 -8.647 19.878 19.542 868 HG3 LYS 47 2HG LYS 47 -10.088 20.320 20.461 869 HD2 LYS 47 1HD LYS 47 -10.990 18.805 18.275 870 HD3 LYS 47 2HD LYS 47 -9.574 17.961 18.904 871 HE2 LYS 47 1HE LYS 47 -11.811 18.921 20.670 872 HE3 LYS 47 2HE LYS 47 -11.818 17.330 19.909 873 HZ1 LYS 47 3HZ LYS 47 -10.903 17.502 22.258 874 HZ2 LYS 47 1HZ LYS 47 -9.546 18.239 21.566 875 HZ3 LYS 47 2HZ LYS 47 -9.967 16.660 21.129 876 H ALA 48 H ALA 48 -11.470 23.118 16.594 877 HA ALA 48 HA ALA 48 -10.022 25.436 17.176 878 HB1 ALA 48 3HB ALA 48 -10.401 25.939 15.034 879 HB2 ALA 48 1HB ALA 48 -11.218 24.379 14.942 880 HB3 ALA 48 2HB ALA 48 -12.151 25.847 15.231 881 H GLU 49 H GLU 49 -13.475 24.739 17.462 882 HA GLU 49 HA GLU 49 -14.297 27.364 18.098 883 HB2 GLU 49 1HB GLU 49 -15.509 24.653 18.598 884 HB3 GLU 49 2HB GLU 49 -16.286 26.129 19.153 885 HG2 GLU 49 1HG GLU 49 -15.654 26.582 16.471 886 HG3 GLU 49 2HG GLU 49 -16.279 24.936 16.543 887 H GLU 50 H GLU 50 -13.029 24.726 20.024 888 HA GLU 50 HA GLU 50 -13.627 26.001 22.539 889 HB2 GLU 50 1HB GLU 50 -11.985 23.572 21.817 890 HB3 GLU 50 2HB GLU 50 -12.190 24.143 23.467 891 HG2 GLU 50 1HG GLU 50 -14.438 23.323 21.642 892 HG3 GLU 50 2HG GLU 50 -13.706 22.293 22.873 893 H LEU 51 H LEU 51 -10.911 25.773 20.350 894 HA LEU 51 HA LEU 51 -8.963 26.805 22.156 895 HG LEU 51 HG LEU 51 -7.330 25.546 21.589 896 HB2 LEU 51 1HB LEU 51 -9.066 25.889 19.434 897 HB3 LEU 51 2HB LEU 51 -8.165 27.400 19.533 898 HD11 LEU 51 1HD1 LEU 51 -6.686 24.592 18.833 899 HD12 LEU 51 2HD1 LEU 51 -8.143 24.028 19.649 900 HD13 LEU 51 3HD1 LEU 51 -6.562 23.742 20.373 901 HD21 LEU 51 3HD2 LEU 51 -5.129 26.013 20.582 902 HD22 LEU 51 1HD2 LEU 51 -6.045 27.482 20.919 903 HD23 LEU 51 2HD2 LEU 51 -5.933 26.873 19.267 904 H PHE 52 H PHE 52 -11.210 28.218 19.871 905 HA PHE 52 HA PHE 52 -10.150 30.769 19.609 906 HD1 PHE 52 HD1 PHE 52 -11.940 29.857 16.630 907 HD2 PHE 52 HD2 PHE 52 -12.148 33.154 19.314 908 HE1 PHE 52 HE1 PHE 52 -11.656 31.408 14.741 909 HE2 PHE 52 HE2 PHE 52 -11.866 34.710 17.429 910 HZ PHE 52 HZ PHE 52 -11.620 33.838 15.139 911 HB2 PHE 52 1HB PHE 52 -12.498 29.486 18.848 912 HB3 PHE 52 2HB PHE 52 -13.048 30.815 19.863 913 H LYS 53 H LYS 53 -11.959 29.342 22.244 914 HA LYS 53 HA LYS 53 -12.600 31.705 23.634 915 HB2 LYS 53 1HB LYS 53 -13.350 29.201 23.980 916 HB3 LYS 53 2HB LYS 53 -11.996 29.171 25.103 917 HG2 LYS 53 1HG LYS 53 -12.963 30.869 26.448 918 HG3 LYS 53 2HG LYS 53 -14.199 31.212 25.236 919 HD2 LYS 53 1HD LYS 53 -15.114 28.946 25.567 920 HD3 LYS 53 2HD LYS 53 -13.911 28.664 26.827 921 HE2 LYS 53 1HE LYS 53 -16.011 29.283 27.840 922 HE3 LYS 53 2HE LYS 53 -14.835 30.572 28.091 923 HZ1 LYS 53 3HZ LYS 53 -16.274 31.000 25.691 924 HZ2 LYS 53 1HZ LYS 53 -16.154 31.995 27.053 925 HZ3 LYS 53 2HZ LYS 53 -17.351 30.802 26.980 926 H LEU 54 H LEU 54 -9.753 29.625 23.685 927 HA LEU 54 HA LEU 54 -8.497 31.048 25.840 928 HG LEU 54 HG LEU 54 -7.897 29.125 26.953 929 HB2 LEU 54 1HB LEU 54 -7.713 28.855 23.982 930 HB3 LEU 54 2HB LEU 54 -6.451 29.718 24.858 931 HD11 LEU 54 1HD1 LEU 54 -9.822 28.184 26.059 932 HD12 LEU 54 2HD1 LEU 54 -8.872 26.778 26.536 933 HD13 LEU 54 3HD1 LEU 54 -8.931 27.269 24.843 934 HD21 LEU 54 3HD2 LEU 54 -6.639 27.045 27.205 935 HD22 LEU 54 1HD2 LEU 54 -5.629 28.329 26.539 936 HD23 LEU 54 2HD2 LEU 54 -6.257 27.062 25.483 937 H ALA 55 H ALA 55 -7.960 30.832 22.329 938 HA ALA 55 HA ALA 55 -5.824 32.600 22.132 939 HB1 ALA 55 3HB ALA 55 -7.950 32.480 20.026 940 HB2 ALA 55 1HB ALA 55 -6.202 32.633 19.839 941 HB3 ALA 55 2HB ALA 55 -6.905 31.094 20.339 942 H GLU 56 H GLU 56 -9.243 33.226 22.499 943 HA GLU 56 HA GLU 56 -9.082 36.009 21.831 944 HB2 GLU 56 1HB GLU 56 -11.165 34.675 21.606 945 HB3 GLU 56 2HB GLU 56 -11.236 34.535 23.357 946 HG2 GLU 56 1HG GLU 56 -12.118 36.564 23.595 947 HG3 GLU 56 2HG GLU 56 -10.992 37.288 22.450 948 H GLU 57 H GLU 57 -8.941 34.106 24.782 949 HA GLU 57 HA GLU 57 -9.077 36.345 26.552 950 HB2 GLU 57 1HB GLU 57 -8.833 33.455 26.772 951 HB3 GLU 57 2HB GLU 57 -7.806 34.289 27.930 952 HG2 GLU 57 1HG GLU 57 -9.799 35.592 28.657 953 HG3 GLU 57 2HG GLU 57 -10.782 34.571 27.609 954 H ARG 58 H ARG 58 -6.555 34.750 24.795 955 HA ARG 58 HA ARG 58 -4.452 36.027 26.352 956 HE ARG 58 HE ARG 58 -1.536 33.759 26.806 957 HB2 ARG 58 1HB ARG 58 -4.094 34.376 23.857 958 HB3 ARG 58 2HB ARG 58 -2.911 34.709 25.115 959 HG2 ARG 58 1HG ARG 58 -5.035 33.466 26.425 960 HG3 ARG 58 2HG ARG 58 -4.826 32.573 24.917 961 HD2 ARG 58 1HD ARG 58 -3.467 31.655 26.754 962 HD3 ARG 58 2HD ARG 58 -2.484 32.224 25.405 963 HH11 ARG 58 1HH1 ARG 58 -4.503 32.623 28.228 964 HH12 ARG 58 2HH1 ARG 58 -4.255 33.456 29.727 965 HH21 ARG 58 2HH2 ARG 58 -2.376 34.728 30.037 966 HH22 ARG 58 1HH2 ARG 58 -1.199 34.860 28.775 967 H LEU 59 H LEU 59 -6.009 36.262 23.217 968 HA LEU 59 HA LEU 59 -4.196 38.405 22.405 969 HG LEU 59 HG LEU 59 -4.597 35.490 21.102 970 HB2 LEU 59 1HB LEU 59 -6.434 37.042 20.914 971 HB3 LEU 59 2HB LEU 59 -5.369 38.277 20.245 972 HD11 LEU 59 1HD1 LEU 59 -4.655 36.829 18.402 973 HD12 LEU 59 2HD1 LEU 59 -5.766 35.584 18.972 974 HD13 LEU 59 3HD1 LEU 59 -4.061 35.202 18.733 975 HD21 LEU 59 3HD2 LEU 59 -2.963 37.880 20.353 976 HD22 LEU 59 1HD2 LEU 59 -2.392 36.254 19.975 977 HD23 LEU 59 2HD2 LEU 59 -2.709 36.710 21.649 978 H LYS 60 H LYS 60 -6.236 38.650 24.568 979 HA LYS 60 HA LYS 60 -7.096 41.265 24.023 980 HB2 LYS 60 1HB LYS 60 -8.678 39.632 22.632 981 HB3 LYS 60 2HB LYS 60 -9.505 39.521 24.180 982 HG2 LYS 60 1HG LYS 60 -10.602 41.355 23.591 983 HG3 LYS 60 2HG LYS 60 -9.092 42.234 23.845 984 HD2 LYS 60 1HD LYS 60 -9.426 40.880 21.233 985 HD3 LYS 60 2HD LYS 60 -10.447 42.288 21.534 986 HE2 LYS 60 1HE LYS 60 -7.514 42.423 22.098 987 HE3 LYS 60 2HE LYS 60 -8.096 42.583 20.442 988 HZ1 LYS 60 3HZ LYS 60 -7.932 44.578 22.304 989 HZ2 LYS 60 1HZ LYS 60 -9.583 44.210 22.252 990 HZ3 LYS 60 2HZ LYS 60 -8.769 44.648 20.836 991 H LYS 61 H LYS 61 -6.956 42.117 25.982 992 HA LYS 61 HA LYS 61 -7.788 40.499 28.294 993 HB2 LYS 61 1HB LYS 61 -5.383 41.632 27.916 994 HB3 LYS 61 2HB LYS 61 -6.209 42.982 28.685 995 HG2 LYS 61 1HG LYS 61 -6.079 40.211 29.851 996 HG3 LYS 61 2HG LYS 61 -4.948 41.507 30.245 997 HD2 LYS 61 1HD LYS 61 -7.181 42.833 30.727 998 HD3 LYS 61 2HD LYS 61 -7.825 41.204 30.954 999 HE2 LYS 61 1HE LYS 61 -7.132 41.736 33.088 1000 HE3 LYS 61 2HE LYS 61 -5.724 40.882 32.458 1001 HZ1 LYS 61 3HZ LYS 61 -5.719 43.366 33.570 1002 HZ2 LYS 61 1HZ LYS 61 -5.643 43.690 31.912 1003 HZ3 LYS 61 2HZ LYS 61 -4.478 42.699 32.634 1004 H LEU 62 H LEU 62 -7.717 43.900 27.220 1005 HA LEU 62 HA LEU 62 -10.353 44.254 28.475 1006 HG LEU 62 HG LEU 62 -9.651 44.518 30.628 1007 HB2 LEU 62 1HB LEU 62 -7.850 45.736 28.952 1008 HB3 LEU 62 2HB LEU 62 -9.294 46.724 28.744 1009 HD11 LEU 62 1HD1 LEU 62 -7.419 44.840 31.279 1010 HD12 LEU 62 2HD1 LEU 62 -8.372 45.791 32.417 1011 HD13 LEU 62 3HD1 LEU 62 -7.528 46.590 31.090 1012 HD21 LEU 62 3HD2 LEU 62 -9.978 47.256 31.557 1013 HD22 LEU 62 1HD2 LEU 62 -11.147 45.938 31.478 1014 HD23 LEU 62 2HD2 LEU 62 -10.840 46.930 30.053 Start of MODEL 3 1 HA MET 1 HA MET 1 -7.667 -1.105 -4.383 2 H1 MET 1 1H MET 1 -5.056 -1.006 -3.921 3 HB2 MET 1 1HB MET 1 -5.985 -2.578 -2.815 4 HB3 MET 1 2HB MET 1 -7.118 -1.958 -1.622 5 HG2 MET 1 1HG MET 1 -8.973 -2.919 -2.806 6 HG3 MET 1 2HG MET 1 -7.918 -3.418 -4.127 7 HE1 MET 1 3HE MET 1 -8.328 -5.024 0.058 8 HE2 MET 1 1HE MET 1 -9.146 -3.682 -0.742 9 HE3 MET 1 2HE MET 1 -9.675 -5.337 -1.038 10 H LYS 2 H LYS 2 -6.875 1.628 -3.534 11 HA LYS 2 HA LYS 2 -9.206 2.142 -1.844 12 HB2 LYS 2 1HB LYS 2 -6.422 3.170 -1.276 13 HB3 LYS 2 2HB LYS 2 -7.877 3.798 -0.513 14 HG2 LYS 2 1HG LYS 2 -8.319 1.619 0.474 15 HG3 LYS 2 2HG LYS 2 -6.887 0.959 -0.320 16 HD2 LYS 2 1HD LYS 2 -6.700 3.328 1.512 17 HD3 LYS 2 2HD LYS 2 -6.695 1.680 2.144 18 HE2 LYS 2 1HE LYS 2 -4.874 1.752 -0.013 19 HE3 LYS 2 2HE LYS 2 -4.554 3.175 0.978 20 HZ1 LYS 2 3HZ LYS 2 -4.556 0.340 1.849 21 HZ2 LYS 2 1HZ LYS 2 -4.499 1.644 2.927 22 HZ3 LYS 2 2HZ LYS 2 -3.244 1.407 1.818 23 H LYS 3 H LYS 3 -10.271 4.012 -2.318 24 HA LYS 3 HA LYS 3 -9.041 5.814 -4.292 25 HB2 LYS 3 1HB LYS 3 -11.595 4.314 -4.465 26 HB3 LYS 3 2HB LYS 3 -11.626 5.984 -5.019 27 HG2 LYS 3 1HG LYS 3 -11.079 4.960 -6.967 28 HG3 LYS 3 2HG LYS 3 -9.456 5.211 -6.318 29 HD2 LYS 3 1HD LYS 3 -9.369 2.989 -6.932 30 HD3 LYS 3 2HD LYS 3 -9.838 2.865 -5.235 31 HE2 LYS 3 1HE LYS 3 -11.801 1.937 -5.750 32 HE3 LYS 3 2HE LYS 3 -12.130 3.143 -6.994 33 HZ1 LYS 3 3HZ LYS 3 -12.012 1.026 -8.033 34 HZ2 LYS 3 1HZ LYS 3 -10.539 0.657 -7.287 35 HZ3 LYS 3 2HZ LYS 3 -10.611 1.867 -8.466 36 H LEU 4 H LEU 4 -11.558 5.375 -1.844 37 HA LEU 4 HA LEU 4 -11.822 8.272 -1.562 38 HG LEU 4 HG LEU 4 -12.637 5.135 0.077 39 HB2 LEU 4 1HB LEU 4 -13.710 7.761 -0.101 40 HB3 LEU 4 2HB LEU 4 -13.875 6.996 -1.680 41 HD11 LEU 4 1HD1 LEU 4 -13.726 6.657 1.807 42 HD12 LEU 4 2HD1 LEU 4 -14.120 4.940 1.879 43 HD13 LEU 4 3HD1 LEU 4 -15.266 6.079 1.173 44 HD21 LEU 4 3HD2 LEU 4 -14.159 3.727 -0.829 45 HD22 LEU 4 1HD2 LEU 4 -14.350 5.054 -1.977 46 HD23 LEU 4 2HD2 LEU 4 -15.491 4.869 -0.645 47 H ARG 5 H ARG 5 -10.642 5.449 0.134 48 HA ARG 5 HA ARG 5 -10.330 6.590 2.686 49 HE ARG 5 HE ARG 5 -12.222 4.112 4.591 50 HB2 ARG 5 1HB ARG 5 -9.619 4.142 1.363 51 HB3 ARG 5 2HB ARG 5 -8.244 4.725 2.291 52 HG2 ARG 5 1HG ARG 5 -9.172 3.769 4.062 53 HG3 ARG 5 2HG ARG 5 -10.398 5.037 4.005 54 HD2 ARG 5 1HD ARG 5 -11.306 3.285 2.119 55 HD3 ARG 5 2HD ARG 5 -10.583 2.199 3.305 56 HH11 ARG 5 1HH1 ARG 5 -12.385 1.237 2.635 57 HH12 ARG 5 2HH1 ARG 5 -13.924 0.743 3.258 58 HH21 ARG 5 2HH2 ARG 5 -14.983 2.015 4.841 59 HH22 ARG 5 1HH2 ARG 5 -14.248 3.472 5.419 60 H GLU 6 H GLU 6 -7.887 6.075 0.134 61 HA GLU 6 HA GLU 6 -5.806 7.448 1.387 62 HB2 GLU 6 1HB GLU 6 -6.253 6.202 -1.118 63 HB3 GLU 6 2HB GLU 6 -5.635 7.814 -1.449 64 HG2 GLU 6 1HG GLU 6 -3.956 7.000 0.519 65 HG3 GLU 6 2HG GLU 6 -4.296 5.477 -0.301 66 H GLU 7 H GLU 7 -8.364 8.611 -0.748 67 HA GLU 7 HA GLU 7 -7.391 11.229 -1.097 68 HB2 GLU 7 1HB GLU 7 -9.208 10.136 -2.441 69 HB3 GLU 7 2HB GLU 7 -10.287 10.368 -1.073 70 HG2 GLU 7 1HG GLU 7 -10.827 12.280 -2.079 71 HG3 GLU 7 2HG GLU 7 -9.307 12.880 -1.420 72 H ALA 8 H ALA 8 -9.530 9.808 1.335 73 HA ALA 8 HA ALA 8 -10.133 12.251 2.653 74 HB1 ALA 8 3HB ALA 8 -10.216 9.827 4.296 75 HB2 ALA 8 1HB ALA 8 -11.481 11.003 3.938 76 HB3 ALA 8 2HB ALA 8 -11.117 9.717 2.785 77 H ALA 9 H ALA 9 -7.897 9.595 3.468 78 HA ALA 9 HA ALA 9 -6.804 10.694 5.773 79 HB1 ALA 9 3HB ALA 9 -4.704 9.326 4.916 80 HB2 ALA 9 1HB ALA 9 -6.156 8.527 5.520 81 HB3 ALA 9 2HB ALA 9 -5.896 8.689 3.784 82 H LYS 10 H LYS 10 -6.058 11.313 2.400 83 HA LYS 10 HA LYS 10 -3.700 12.852 2.948 84 HB2 LYS 10 1HB LYS 10 -3.931 11.715 0.814 85 HB3 LYS 10 2HB LYS 10 -5.401 12.613 0.460 86 HG2 LYS 10 1HG LYS 10 -3.100 14.316 1.030 87 HG3 LYS 10 2HG LYS 10 -2.890 13.276 -0.380 88 HD2 LYS 10 1HD LYS 10 -5.517 14.550 -0.247 89 HD3 LYS 10 2HD LYS 10 -4.180 15.698 -0.358 90 HE2 LYS 10 1HE LYS 10 -3.767 15.165 -2.490 91 HE3 LYS 10 2HE LYS 10 -3.882 13.436 -2.166 92 HZ1 LYS 10 3HZ LYS 10 -6.251 13.547 -2.353 93 HZ2 LYS 10 1HZ LYS 10 -5.579 14.265 -3.730 94 HZ3 LYS 10 2HZ LYS 10 -6.222 15.232 -2.501 95 H LEU 11 H LEU 11 -7.107 13.525 2.480 96 HA LEU 11 HA LEU 11 -7.041 16.261 2.025 97 HG LEU 11 HG LEU 11 -8.815 14.905 4.926 98 HB2 LEU 11 1HB LEU 11 -9.265 16.157 2.255 99 HB3 LEU 11 2HB LEU 11 -8.995 14.418 2.352 100 HD11 LEU 11 1HD1 LEU 11 -9.202 17.457 4.136 101 HD12 LEU 11 2HD1 LEU 11 -9.649 16.834 5.724 102 HD13 LEU 11 3HD1 LEU 11 -10.865 16.959 4.454 103 HD21 LEU 11 3HD2 LEU 11 -11.571 15.024 4.592 104 HD22 LEU 11 1HD2 LEU 11 -10.581 13.570 4.713 105 HD23 LEU 11 2HD2 LEU 11 -10.978 14.236 3.129 106 H PHE 12 H PHE 12 -6.493 14.469 4.959 107 HA PHE 12 HA PHE 12 -6.913 16.424 6.884 108 HD1 PHE 12 HD1 PHE 12 -8.252 14.321 6.923 109 HD2 PHE 12 HD2 PHE 12 -5.268 14.315 9.958 110 HE1 PHE 12 HE1 PHE 12 -9.942 13.644 8.579 111 HE2 PHE 12 HE2 PHE 12 -6.952 13.637 11.618 112 HZ PHE 12 HZ PHE 12 -9.293 13.300 10.929 113 HB2 PHE 12 1HB PHE 12 -5.397 13.920 6.698 114 HB3 PHE 12 2HB PHE 12 -4.724 15.068 7.849 115 H GLU 13 H GLU 13 -4.332 16.067 4.585 116 HA GLU 13 HA GLU 13 -2.425 17.733 5.843 117 HB2 GLU 13 1HB GLU 13 -2.307 16.108 3.727 118 HB3 GLU 13 2HB GLU 13 -2.549 17.625 2.873 119 HG2 GLU 13 1HG GLU 13 -0.346 17.867 2.979 120 HG3 GLU 13 2HG GLU 13 -0.583 18.251 4.683 121 H GLU 14 H GLU 14 -5.191 18.373 3.806 122 HA GLU 14 HA GLU 14 -4.670 20.934 2.920 123 HB2 GLU 14 1HB GLU 14 -6.794 19.283 2.742 124 HB3 GLU 14 2HB GLU 14 -7.417 20.438 3.912 125 HG2 GLU 14 1HG GLU 14 -8.118 21.339 1.920 126 HG3 GLU 14 2HG GLU 14 -6.619 22.219 2.215 127 H TRP 15 H TRP 15 -6.244 19.994 5.973 128 HA TRP 15 HA TRP 15 -6.643 22.538 7.012 129 HD1 TRP 15 HD1 TRP 15 -8.699 21.613 6.464 130 HE1 TRP 15 HE1 TRP 15 -10.685 19.980 6.354 131 HE3 TRP 15 HE3 TRP 15 -7.117 18.182 9.908 132 HZ2 TRP 15 HZ2 TRP 15 -11.476 17.556 7.568 133 HZ3 TRP 15 HZ3 TRP 15 -8.547 16.236 10.376 134 HH2 TRP 15 HH2 TRP 15 -10.681 15.932 9.230 135 HB2 TRP 15 1HB TRP 15 -5.945 20.058 8.597 136 HB3 TRP 15 2HB TRP 15 -6.803 21.479 9.189 137 H LYS 16 H LYS 16 -3.896 20.347 7.625 138 HA LYS 16 HA LYS 16 -2.392 22.074 9.204 139 HB2 LYS 16 1HB LYS 16 -1.701 19.759 7.430 140 HB3 LYS 16 2HB LYS 16 -0.412 20.707 8.163 141 HG2 LYS 16 1HG LYS 16 -1.309 20.226 10.380 142 HG3 LYS 16 2HG LYS 16 -2.614 19.287 9.650 143 HD2 LYS 16 1HD LYS 16 -0.870 17.801 10.435 144 HD3 LYS 16 2HD LYS 16 -0.932 17.769 8.670 145 HE2 LYS 16 1HE LYS 16 1.213 18.332 8.583 146 HE3 LYS 16 2HE LYS 16 0.859 19.829 9.446 147 HZ1 LYS 16 3HZ LYS 16 1.152 18.672 11.532 148 HZ2 LYS 16 1HZ LYS 16 2.537 18.491 10.578 149 HZ3 LYS 16 2HZ LYS 16 1.439 17.213 10.727 150 H LYS 17 H LYS 17 -2.761 21.921 5.734 151 HA LYS 17 HA LYS 17 -0.560 23.379 4.888 152 HB2 LYS 17 1HB LYS 17 -2.462 22.227 3.535 153 HB3 LYS 17 2HB LYS 17 -3.263 23.789 3.646 154 HG2 LYS 17 1HG LYS 17 -2.112 24.472 1.888 155 HG3 LYS 17 2HG LYS 17 -0.621 24.294 2.815 156 HD2 LYS 17 1HD LYS 17 -0.576 21.891 2.149 157 HD3 LYS 17 2HD LYS 17 -1.962 22.205 1.102 158 HE2 LYS 17 1HE LYS 17 -0.544 24.010 0.018 159 HE3 LYS 17 2HE LYS 17 0.824 23.325 0.896 160 HZ1 LYS 17 3HZ LYS 17 0.875 21.509 -0.420 161 HZ2 LYS 17 1HZ LYS 17 0.136 22.545 -1.534 162 HZ3 LYS 17 2HZ LYS 17 -0.802 21.460 -0.638 163 H LEU 18 H LEU 18 -3.773 24.598 5.820 164 HA LEU 18 HA LEU 18 -2.984 27.340 5.580 165 HG LEU 18 HG LEU 18 -4.967 25.891 4.313 166 HB2 LEU 18 1HB LEU 18 -5.372 26.218 7.031 167 HB3 LEU 18 2HB LEU 18 -5.161 27.865 6.440 168 HD11 LEU 18 1HD1 LEU 18 -6.587 24.807 5.947 169 HD12 LEU 18 2HD1 LEU 18 -7.164 25.069 4.302 170 HD13 LEU 18 3HD1 LEU 18 -7.669 26.156 5.596 171 HD21 LEU 18 3HD2 LEU 18 -6.890 27.449 3.508 172 HD22 LEU 18 1HD2 LEU 18 -5.243 28.071 3.609 173 HD23 LEU 18 2HD2 LEU 18 -6.406 28.448 4.879 174 H ALA 19 H ALA 19 -3.096 24.978 8.148 175 HA ALA 19 HA ALA 19 -2.927 26.711 10.355 176 HB1 ALA 19 3HB ALA 19 -3.383 24.181 10.293 177 HB2 ALA 19 1HB ALA 19 -1.627 24.011 10.309 178 HB3 ALA 19 2HB ALA 19 -2.445 24.829 11.640 179 H GLU 20 H GLU 20 -0.412 25.183 8.376 180 HA GLU 20 HA GLU 20 1.777 26.160 9.885 181 HB2 GLU 20 1HB GLU 20 1.838 24.246 8.249 182 HB3 GLU 20 2HB GLU 20 1.780 25.432 6.954 183 HG2 GLU 20 1HG GLU 20 3.854 26.410 8.301 184 HG3 GLU 20 2HG GLU 20 3.991 24.720 8.782 185 H GLU 21 H GLU 21 0.009 27.410 7.102 186 HA GLU 21 HA GLU 21 1.767 29.588 6.598 187 HB2 GLU 21 1HB GLU 21 0.074 28.582 4.990 188 HB3 GLU 21 2HB GLU 21 -1.160 29.464 5.878 189 HG2 GLU 21 1HG GLU 21 -0.715 30.889 4.136 190 HG3 GLU 21 2HG GLU 21 0.333 31.528 5.401 191 H ALA 22 H ALA 22 -0.979 29.101 8.695 192 HA ALA 22 HA ALA 22 -1.461 31.847 9.271 193 HB1 ALA 22 3HB ALA 22 -2.308 29.258 10.495 194 HB2 ALA 22 1HB ALA 22 -2.600 30.774 11.352 195 HB3 ALA 22 2HB ALA 22 -3.286 30.521 9.746 196 H ALA 23 H ALA 23 0.644 29.391 10.610 197 HA ALA 23 HA ALA 23 1.292 30.688 13.029 198 HB1 ALA 23 3HB ALA 23 3.076 29.135 13.225 199 HB2 ALA 23 1HB ALA 23 1.742 28.283 12.445 200 HB3 ALA 23 2HB ALA 23 3.108 28.850 11.485 201 H LYS 24 H LYS 24 2.460 31.054 9.758 202 HA LYS 24 HA LYS 24 4.844 32.448 10.319 203 HB2 LYS 24 1HB LYS 24 3.745 31.458 8.068 204 HB3 LYS 24 2HB LYS 24 3.347 33.160 7.861 205 HG2 LYS 24 1HG LYS 24 5.714 33.737 8.104 206 HG3 LYS 24 2HG LYS 24 6.106 32.025 8.284 207 HD2 LYS 24 1HD LYS 24 5.638 31.553 6.068 208 HD3 LYS 24 2HD LYS 24 4.582 32.955 5.886 209 HE2 LYS 24 1HE LYS 24 6.318 34.382 5.497 210 HE3 LYS 24 2HE LYS 24 7.442 33.460 6.494 211 HZ1 LYS 24 3HZ LYS 24 6.630 31.952 4.233 212 HZ2 LYS 24 1HZ LYS 24 8.188 32.405 4.711 213 HZ3 LYS 24 2HZ LYS 24 7.264 33.442 3.746 214 H LEU 25 H LEU 25 1.504 33.461 10.085 215 HA LEU 25 HA LEU 25 2.070 36.265 10.014 216 HG LEU 25 HG LEU 25 -1.342 36.357 8.751 217 HB2 LEU 25 1HB LEU 25 -0.258 34.551 9.952 218 HB3 LEU 25 2HB LEU 25 -0.510 35.939 11.009 219 HD11 LEU 25 1HD1 LEU 25 0.014 38.440 8.300 220 HD12 LEU 25 2HD1 LEU 25 1.045 37.953 9.645 221 HD13 LEU 25 3HD1 LEU 25 -0.664 38.292 9.921 222 HD21 LEU 25 3HD2 LEU 25 -0.174 36.010 6.855 223 HD22 LEU 25 1HD2 LEU 25 0.743 34.893 7.865 224 HD23 LEU 25 2HD2 LEU 25 1.353 36.521 7.574 225 H LEU 26 H LEU 26 1.540 33.883 12.509 226 HA LEU 26 HA LEU 26 1.170 35.792 14.620 227 HG LEU 26 HG LEU 26 -0.840 33.867 14.575 228 HB2 LEU 26 1HB LEU 26 1.382 32.851 14.386 229 HB3 LEU 26 2HB LEU 26 1.835 33.554 15.937 230 HD11 LEU 26 1HD1 LEU 26 -0.481 31.604 15.400 231 HD12 LEU 26 2HD1 LEU 26 -1.674 32.452 16.384 232 HD13 LEU 26 3HD1 LEU 26 -0.028 32.242 16.981 233 HD21 LEU 26 3HD2 LEU 26 -1.330 35.466 16.039 234 HD22 LEU 26 1HD2 LEU 26 0.384 35.518 16.453 235 HD23 LEU 26 2HD2 LEU 26 -0.717 34.508 17.388 236 H GLU 27 H GLU 27 3.865 34.258 13.082 237 HA GLU 27 HA GLU 27 5.689 35.071 15.218 238 HB2 GLU 27 1HB GLU 27 7.333 33.709 14.186 239 HB3 GLU 27 2HB GLU 27 5.834 32.793 14.126 240 HG2 GLU 27 1HG GLU 27 5.533 33.626 11.781 241 HG3 GLU 27 2HG GLU 27 7.167 34.279 11.880 242 H GLY 28 H GLY 28 4.667 35.970 12.034 243 HA2 GLY 28 1HA GLY 28 6.824 37.398 11.062 244 HA3 GLY 28 2HA GLY 28 5.144 37.822 10.761 245 H GLY 29 H GLY 29 4.115 38.819 12.909 246 HA2 GLY 29 1HA GLY 29 5.220 41.357 13.208 247 HA3 GLY 29 2HA GLY 29 4.040 40.644 14.298 248 H GLY 30 H GLY 30 5.896 38.418 14.964 249 HA2 GLY 30 1HA GLY 30 8.316 39.298 16.010 250 HA3 GLY 30 2HA GLY 30 7.099 39.611 17.238 251 H GLY 31 H GLY 31 8.954 37.201 15.583 252 HA2 GLY 31 1HA GLY 31 8.257 35.279 17.660 253 HA3 GLY 31 2HA GLY 31 7.879 34.808 16.010 254 H GLY 32 H GLY 32 10.615 36.173 17.855 255 HA2 GLY 32 1HA GLY 32 12.351 34.240 16.450 256 HA3 GLY 32 2HA GLY 32 12.838 35.913 16.680 257 H GLY 33 H GLY 33 11.058 34.447 19.233 258 HA2 GLY 33 1HA GLY 33 13.002 33.124 20.690 259 HA3 GLY 33 2HA GLY 33 13.193 34.827 21.078 260 H GLY 34 H GLY 34 10.642 35.748 21.184 261 HA2 GLY 34 1HA GLY 34 9.510 34.155 23.397 262 HA3 GLY 34 2HA GLY 34 9.429 35.907 23.299 263 H GLY 35 H GLY 35 8.931 34.175 20.372 264 HA2 GLY 35 1HA GLY 35 6.240 35.176 20.182 265 HA3 GLY 35 2HA GLY 35 7.089 34.224 18.972 266 H GLU 36 H GLU 36 5.711 33.839 22.239 267 HA GLU 36 HA GLU 36 5.415 31.089 22.220 268 HB2 GLU 36 1HB GLU 36 5.049 32.277 24.253 269 HB3 GLU 36 2HB GLU 36 3.761 33.237 23.540 270 HG2 GLU 36 1HG GLU 36 2.377 31.225 23.354 271 HG3 GLU 36 2HG GLU 36 3.663 30.281 24.101 272 H LEU 37 H LEU 37 3.532 33.527 20.610 273 HA LEU 37 HA LEU 37 1.143 32.231 20.137 274 HG LEU 37 HG LEU 37 1.991 34.996 20.514 275 HB2 LEU 37 1HB LEU 37 2.701 33.988 18.248 276 HB3 LEU 37 2HB LEU 37 0.999 33.566 18.070 277 HD11 LEU 37 1HD1 LEU 37 2.157 36.010 17.891 278 HD12 LEU 37 2HD1 LEU 37 2.371 36.878 19.411 279 HD13 LEU 37 3HD1 LEU 37 0.777 36.794 18.660 280 HD21 LEU 37 3HD2 LEU 37 -0.641 35.548 19.332 281 HD22 LEU 37 1HD2 LEU 37 -0.185 35.262 21.012 282 HD23 LEU 37 2HD2 LEU 37 -0.416 33.899 19.919 283 H MET 38 H MET 38 4.277 31.653 18.723 284 HA MET 38 HA MET 38 3.611 30.251 16.430 285 HB2 MET 38 1HB MET 38 5.790 29.324 16.490 286 HB3 MET 38 2HB MET 38 5.923 30.910 17.238 287 HG2 MET 38 1HG MET 38 5.837 29.851 19.453 288 HG3 MET 38 2HG MET 38 5.767 28.272 18.676 289 HE1 MET 38 3HE MET 38 9.374 31.131 18.373 290 HE2 MET 38 1HE MET 38 7.750 31.501 17.792 291 HE3 MET 38 2HE MET 38 8.062 31.390 19.524 292 H LYS 39 H LYS 39 3.501 29.240 19.776 293 HA LYS 39 HA LYS 39 3.125 26.455 19.190 294 HB2 LYS 39 1HB LYS 39 4.097 27.370 21.331 295 HB3 LYS 39 2HB LYS 39 2.477 27.904 21.761 296 HG2 LYS 39 1HG LYS 39 2.399 25.921 22.810 297 HG3 LYS 39 2HG LYS 39 1.981 25.321 21.204 298 HD2 LYS 39 1HD LYS 39 4.648 25.232 21.012 299 HD3 LYS 39 2HD LYS 39 4.487 25.025 22.759 300 HE2 LYS 39 1HE LYS 39 4.532 22.865 21.660 301 HE3 LYS 39 2HE LYS 39 2.946 23.149 22.376 302 HZ1 LYS 39 3HZ LYS 39 2.869 24.125 19.771 303 HZ2 LYS 39 1HZ LYS 39 2.057 22.781 20.399 304 HZ3 LYS 39 2HZ LYS 39 3.584 22.593 19.695 305 H LEU 40 H LEU 40 1.060 29.228 19.757 306 HA LEU 40 HA LEU 40 -1.362 27.962 20.265 307 HG LEU 40 HG LEU 40 -2.637 31.357 20.516 308 HB2 LEU 40 1HB LEU 40 -0.475 30.570 19.705 309 HB3 LEU 40 2HB LEU 40 -1.765 30.229 18.553 310 HD11 LEU 40 1HD1 LEU 40 -3.601 28.987 19.413 311 HD12 LEU 40 2HD1 LEU 40 -4.512 30.183 20.334 312 HD13 LEU 40 3HD1 LEU 40 -3.796 28.797 21.156 313 HD21 LEU 40 3HD2 LEU 40 -0.782 30.270 21.991 314 HD22 LEU 40 1HD2 LEU 40 -1.981 28.997 22.225 315 HD23 LEU 40 2HD2 LEU 40 -2.353 30.656 22.693 316 H CYS 41 H CYS 41 0.143 28.785 17.163 317 HA CYS 41 HA CYS 41 -2.019 27.727 15.612 318 HG CYS 41 HG CYS 41 -1.257 30.142 12.995 319 HB2 CYS 41 1HB CYS 41 0.049 29.430 15.076 320 HB3 CYS 41 2HB CYS 41 0.610 27.950 14.307 321 H GLU 42 H GLU 42 1.242 26.605 16.450 322 HA GLU 42 HA GLU 42 1.265 24.245 14.981 323 HB2 GLU 42 1HB GLU 42 3.231 25.187 16.145 324 HB3 GLU 42 2HB GLU 42 2.523 24.730 17.687 325 HG2 GLU 42 1HG GLU 42 2.958 22.511 17.392 326 HG3 GLU 42 2HG GLU 42 2.899 22.619 15.633 327 H GLU 43 H GLU 43 0.068 24.845 18.264 328 HA GLU 43 HA GLU 43 -0.550 22.268 19.032 329 HB2 GLU 43 1HB GLU 43 -1.287 24.935 19.850 330 HB3 GLU 43 2HB GLU 43 -2.669 23.857 19.970 331 HG2 GLU 43 1HG GLU 43 -1.768 22.659 21.656 332 HG3 GLU 43 2HG GLU 43 -0.121 22.843 21.056 333 H ALA 44 H ALA 44 -2.585 24.544 17.216 334 HA ALA 44 HA ALA 44 -4.864 22.978 16.971 335 HB1 ALA 44 3HB ALA 44 -4.267 25.441 16.183 336 HB2 ALA 44 1HB ALA 44 -4.066 24.621 14.634 337 HB3 ALA 44 2HB ALA 44 -5.608 24.532 15.486 338 H ALA 45 H ALA 45 -1.935 23.019 14.988 339 HA ALA 45 HA ALA 45 -2.929 21.097 13.106 340 HB1 ALA 45 3HB ALA 45 -0.148 21.112 12.925 341 HB2 ALA 45 1HB ALA 45 -1.286 22.034 11.941 342 HB3 ALA 45 2HB ALA 45 -0.588 22.755 13.393 343 H LYS 46 H LYS 46 -1.271 20.975 16.145 344 HA LYS 46 HA LYS 46 -0.096 18.425 15.936 345 HB2 LYS 46 1HB LYS 46 0.141 20.311 17.752 346 HB3 LYS 46 2HB LYS 46 -1.166 19.439 18.542 347 HG2 LYS 46 1HG LYS 46 0.222 17.884 19.295 348 HG3 LYS 46 2HG LYS 46 0.917 17.634 17.692 349 HD2 LYS 46 1HD LYS 46 2.310 19.675 18.064 350 HD3 LYS 46 2HD LYS 46 1.708 19.720 19.722 351 HE2 LYS 46 1HE LYS 46 3.211 17.424 18.467 352 HE3 LYS 46 2HE LYS 46 3.909 18.630 19.547 353 HZ1 LYS 46 3HZ LYS 46 2.343 17.897 21.267 354 HZ2 LYS 46 1HZ LYS 46 3.369 16.647 20.769 355 HZ3 LYS 46 2HZ LYS 46 1.767 16.692 20.230 356 H LYS 47 H LYS 47 -3.222 19.438 17.302 357 HA LYS 47 HA LYS 47 -4.155 16.968 18.128 358 HB2 LYS 47 1HB LYS 47 -5.302 19.572 17.537 359 HB3 LYS 47 2HB LYS 47 -6.410 18.268 17.132 360 HG2 LYS 47 1HG LYS 47 -7.001 18.249 19.267 361 HG3 LYS 47 2HG LYS 47 -5.413 17.565 19.621 362 HD2 LYS 47 1HD LYS 47 -4.904 20.265 19.387 363 HD3 LYS 47 2HD LYS 47 -6.476 20.217 20.189 364 HE2 LYS 47 1HE LYS 47 -5.304 18.390 21.667 365 HE3 LYS 47 2HE LYS 47 -3.833 19.190 21.113 366 HZ1 LYS 47 3HZ LYS 47 -5.532 19.983 23.166 367 HZ2 LYS 47 1HZ LYS 47 -5.695 21.133 21.936 368 HZ3 LYS 47 2HZ LYS 47 -4.168 20.793 22.580 369 H ALA 48 H ALA 48 -4.333 18.456 14.923 370 HA ALA 48 HA ALA 48 -5.930 16.500 13.693 371 HB1 ALA 48 3HB ALA 48 -3.813 17.961 12.173 372 HB2 ALA 48 1HB ALA 48 -5.460 17.552 11.692 373 HB3 ALA 48 2HB ALA 48 -5.177 18.845 12.859 374 H GLU 49 H GLU 49 -2.489 16.651 14.336 375 HA GLU 49 HA GLU 49 -1.799 14.445 12.652 376 HB2 GLU 49 1HB GLU 49 -0.371 16.419 13.886 377 HB3 GLU 49 2HB GLU 49 -0.013 15.039 14.914 378 HG2 GLU 49 1HG GLU 49 0.381 13.911 12.522 379 HG3 GLU 49 2HG GLU 49 0.772 15.584 12.125 380 H GLU 50 H GLU 50 -2.722 14.842 16.007 381 HA GLU 50 HA GLU 50 -1.993 12.200 16.816 382 HB2 GLU 50 1HB GLU 50 -3.794 14.275 18.067 383 HB3 GLU 50 2HB GLU 50 -3.422 12.732 18.821 384 HG2 GLU 50 1HG GLU 50 -0.960 13.442 18.529 385 HG3 GLU 50 2HG GLU 50 -1.622 15.061 18.308 386 H LEU 51 H LEU 51 -4.824 13.675 15.420 387 HA LEU 51 HA LEU 51 -6.657 11.593 16.037 388 HG LEU 51 HG LEU 51 -8.701 11.766 14.011 389 HB2 LEU 51 1HB LEU 51 -7.147 13.997 15.310 390 HB3 LEU 51 2HB LEU 51 -6.857 13.427 13.668 391 HD11 LEU 51 1HD1 LEU 51 -8.800 11.595 16.374 392 HD12 LEU 51 2HD1 LEU 51 -10.309 12.345 15.853 393 HD13 LEU 51 3HD1 LEU 51 -9.031 13.333 16.558 394 HD21 LEU 51 3HD2 LEU 51 -10.311 13.253 13.321 395 HD22 LEU 51 1HD2 LEU 51 -8.844 14.185 13.021 396 HD23 LEU 51 2HD2 LEU 51 -9.808 14.499 14.464 397 H PHE 52 H PHE 52 -4.307 12.089 13.519 398 HA PHE 52 HA PHE 52 -5.253 10.346 11.565 399 HD1 PHE 52 HD1 PHE 52 -4.042 8.862 10.016 400 HD2 PHE 52 HD2 PHE 52 -2.479 12.818 9.858 401 HE1 PHE 52 HE1 PHE 52 -4.165 8.809 7.560 402 HE2 PHE 52 HE2 PHE 52 -2.600 12.771 7.402 403 HZ PHE 52 HZ PHE 52 -3.444 10.765 6.249 404 HB2 PHE 52 1HB PHE 52 -2.992 11.894 11.905 405 HB3 PHE 52 2HB PHE 52 -2.348 10.255 11.908 406 H LYS 53 H LYS 53 -3.562 9.708 14.562 407 HA LYS 53 HA LYS 53 -2.781 7.061 14.096 408 HB2 LYS 53 1HB LYS 53 -2.228 8.651 16.070 409 HB3 LYS 53 2HB LYS 53 -3.703 8.021 16.791 410 HG2 LYS 53 1HG LYS 53 -2.438 6.405 17.637 411 HG3 LYS 53 2HG LYS 53 -2.360 5.747 16.001 412 HD2 LYS 53 1HD LYS 53 -0.260 6.647 15.604 413 HD3 LYS 53 2HD LYS 53 -0.440 7.878 16.856 414 HE2 LYS 53 1HE LYS 53 1.079 6.346 17.760 415 HE3 LYS 53 2HE LYS 53 -0.460 5.929 18.511 416 HZ1 LYS 53 3HZ LYS 53 -0.388 3.912 17.620 417 HZ2 LYS 53 1HZ LYS 53 1.208 4.231 17.156 418 HZ3 LYS 53 2HZ LYS 53 -0.061 4.511 16.073 419 H LEU 54 H LEU 54 -5.836 8.416 15.212 420 HA LEU 54 HA LEU 54 -7.042 5.913 15.835 421 HG LEU 54 HG LEU 54 -9.059 5.989 16.782 422 HB2 LEU 54 1HB LEU 54 -7.658 8.473 16.388 423 HB3 LEU 54 2HB LEU 54 -8.768 8.177 15.052 424 HD11 LEU 54 1HD1 LEU 54 -7.910 7.277 18.514 425 HD12 LEU 54 2HD1 LEU 54 -9.612 7.032 18.909 426 HD13 LEU 54 3HD1 LEU 54 -9.063 8.593 18.301 427 HD21 LEU 54 3HD2 LEU 54 -10.701 7.353 15.329 428 HD22 LEU 54 1HD2 LEU 54 -10.888 8.361 16.765 429 HD23 LEU 54 2HD2 LEU 54 -11.287 6.645 16.835 430 H ALA 55 H ALA 55 -7.296 8.116 13.056 431 HA ALA 55 HA ALA 55 -9.098 6.536 11.572 432 HB1 ALA 55 3HB ALA 55 -7.592 8.957 11.178 433 HB2 ALA 55 1HB ALA 55 -7.563 7.957 9.725 434 HB3 ALA 55 2HB ALA 55 -9.105 8.442 10.433 435 H GLU 56 H GLU 56 -5.665 6.359 12.037 436 HA GLU 56 HA GLU 56 -5.051 4.809 9.734 437 HB2 GLU 56 1HB GLU 56 -3.434 6.134 11.203 438 HB3 GLU 56 2HB GLU 56 -3.510 4.782 12.323 439 HG2 GLU 56 1HG GLU 56 -2.175 3.506 11.067 440 HG3 GLU 56 2HG GLU 56 -2.948 4.006 9.563 441 H GLU 57 H GLU 57 -5.904 4.014 13.068 442 HA GLU 57 HA GLU 57 -5.539 1.191 12.708 443 HB2 GLU 57 1HB GLU 57 -5.808 2.886 14.890 444 HB3 GLU 57 2HB GLU 57 -7.297 1.950 14.902 445 HG2 GLU 57 1HG GLU 57 -6.072 -0.108 14.991 446 HG3 GLU 57 2HG GLU 57 -4.543 0.746 14.788 447 H ARG 58 H ARG 58 -8.151 3.452 12.321 448 HA ARG 58 HA ARG 58 -10.164 1.368 12.144 449 HE ARG 58 HE ARG 58 -14.420 1.797 13.875 450 HB2 ARG 58 1HB ARG 58 -10.138 4.267 12.423 451 HB3 ARG 58 2HB ARG 58 -11.307 3.727 11.225 452 HG2 ARG 58 1HG ARG 58 -11.147 2.776 14.078 453 HG3 ARG 58 2HG ARG 58 -12.311 3.936 13.435 454 HD2 ARG 58 1HD ARG 58 -12.508 1.751 11.737 455 HD3 ARG 58 2HD ARG 58 -12.327 1.039 13.339 456 HH11 ARG 58 1HH1 ARG 58 -13.312 3.427 11.004 457 HH12 ARG 58 2HH1 ARG 58 -14.838 4.184 10.687 458 HH21 ARG 58 2HH2 ARG 58 -16.612 3.820 12.090 459 HH22 ARG 58 1HH2 ARG 58 -16.434 2.788 13.468 460 H LEU 59 H LEU 59 -9.538 4.089 9.940 461 HA LEU 59 HA LEU 59 -10.586 2.914 7.668 462 HG LEU 59 HG LEU 59 -9.884 5.838 9.130 463 HB2 LEU 59 1HB LEU 59 -8.254 4.813 7.656 464 HB3 LEU 59 2HB LEU 59 -9.479 4.601 6.407 465 HD11 LEU 59 1HD1 LEU 59 -8.714 7.331 7.671 466 HD12 LEU 59 2HD1 LEU 59 -10.393 7.858 7.769 467 HD13 LEU 59 3HD1 LEU 59 -9.825 6.987 6.345 468 HD21 LEU 59 3HD2 LEU 59 -11.839 5.350 6.885 469 HD22 LEU 59 1HD2 LEU 59 -12.154 6.340 8.310 470 HD23 LEU 59 2HD2 LEU 59 -11.863 4.609 8.486 471 H LYS 60 H LYS 60 -7.309 2.736 8.958 472 HA LYS 60 HA LYS 60 -6.665 0.744 6.885 473 HB2 LYS 60 1HB LYS 60 -5.271 3.069 7.640 474 HB3 LYS 60 2HB LYS 60 -4.342 1.723 8.286 475 HG2 LYS 60 1HG LYS 60 -4.486 0.704 5.966 476 HG3 LYS 60 2HG LYS 60 -5.069 2.281 5.429 477 HD2 LYS 60 1HD LYS 60 -3.040 3.342 6.166 478 HD3 LYS 60 2HD LYS 60 -2.472 1.839 6.898 479 HE2 LYS 60 1HE LYS 60 -2.900 1.007 4.373 480 HE3 LYS 60 2HE LYS 60 -2.487 2.694 4.073 481 HZ1 LYS 60 3HZ LYS 60 -0.839 0.634 5.418 482 HZ2 LYS 60 1HZ LYS 60 -0.481 2.285 5.504 483 HZ3 LYS 60 2HZ LYS 60 -0.481 1.497 4.008 484 H LYS 61 H LYS 61 -4.860 -0.795 7.693 485 HA LYS 61 HA LYS 61 -5.066 -1.454 10.514 486 HB2 LYS 61 1HB LYS 61 -5.816 -3.723 10.155 487 HB3 LYS 61 2HB LYS 61 -6.984 -2.613 9.453 488 HG2 LYS 61 1HG LYS 61 -5.922 -3.010 7.234 489 HG3 LYS 61 2HG LYS 61 -4.928 -4.255 7.994 490 HD2 LYS 61 1HD LYS 61 -6.620 -5.730 8.051 491 HD3 LYS 61 2HD LYS 61 -7.791 -4.509 8.552 492 HE2 LYS 61 1HE LYS 61 -8.191 -3.830 6.341 493 HE3 LYS 61 2HE LYS 61 -6.739 -4.630 5.743 494 HZ1 LYS 61 3HZ LYS 61 -9.110 -6.044 6.835 495 HZ2 LYS 61 1HZ LYS 61 -7.747 -6.758 6.132 496 HZ3 LYS 61 2HZ LYS 61 -8.796 -5.826 5.187 497 H LEU 62 H LEU 62 -3.770 -3.646 10.842 498 HA LEU 62 HA LEU 62 -1.582 -4.019 9.010 499 HG LEU 62 HG LEU 62 0.741 -4.239 9.912 500 HB2 LEU 62 1HB LEU 62 -0.881 -2.009 10.236 501 HB3 LEU 62 2HB LEU 62 -1.048 -2.888 11.754 502 HD11 LEU 62 1HD1 LEU 62 1.755 -1.600 10.899 503 HD12 LEU 62 2HD1 LEU 62 1.004 -1.752 9.311 504 HD13 LEU 62 3HD1 LEU 62 2.453 -2.683 9.693 505 HD21 LEU 62 3HD2 LEU 62 2.242 -3.804 12.002 506 HD22 LEU 62 1HD2 LEU 62 0.890 -4.933 12.102 507 HD23 LEU 62 2HD2 LEU 62 0.724 -3.299 12.746 508 HA MET 1 HA MET 1 -4.369 47.818 17.781 509 H1 MET 1 1H MET 1 -4.332 45.246 19.191 510 HB2 MET 1 1HB MET 1 -2.352 46.395 19.464 511 HB3 MET 1 2HB MET 1 -1.785 47.532 18.248 512 HG2 MET 1 1HG MET 1 -3.838 48.259 20.313 513 HG3 MET 1 2HG MET 1 -2.106 48.430 20.585 514 HE1 MET 1 3HE MET 1 -5.049 49.922 20.041 515 HE2 MET 1 1HE MET 1 -4.182 51.399 20.463 516 HE3 MET 1 2HE MET 1 -4.944 51.245 18.880 517 H LYS 2 H LYS 2 -2.388 44.850 17.668 518 HA LYS 2 HA LYS 2 -1.533 45.261 15.009 519 HB2 LYS 2 1HB LYS 2 -1.598 42.775 16.722 520 HB3 LYS 2 2HB LYS 2 -0.842 42.844 15.137 521 HG2 LYS 2 1HG LYS 2 0.947 43.991 15.889 522 HG3 LYS 2 2HG LYS 2 0.000 44.913 17.059 523 HD2 LYS 2 1HD LYS 2 -0.174 42.779 18.406 524 HD3 LYS 2 2HD LYS 2 1.037 42.097 17.318 525 HE2 LYS 2 1HE LYS 2 2.189 44.466 18.013 526 HE3 LYS 2 2HE LYS 2 1.328 44.045 19.493 527 HZ1 LYS 2 3HZ LYS 2 2.796 41.865 18.293 528 HZ2 LYS 2 1HZ LYS 2 2.712 42.354 19.910 529 HZ3 LYS 2 2HZ LYS 2 3.766 43.136 18.844 530 H LYS 3 H LYS 3 -2.213 44.389 13.075 531 HA LYS 3 HA LYS 3 -5.012 43.648 12.965 532 HB2 LYS 3 1HB LYS 3 -4.649 43.729 10.492 533 HB3 LYS 3 2HB LYS 3 -4.258 45.227 11.323 534 HG2 LYS 3 1HG LYS 3 -1.892 43.704 11.245 535 HG3 LYS 3 2HG LYS 3 -2.613 43.621 9.636 536 HD2 LYS 3 1HD LYS 3 -2.754 46.058 9.567 537 HD3 LYS 3 2HD LYS 3 -2.059 46.152 11.187 538 HE2 LYS 3 1HE LYS 3 0.026 45.863 10.424 539 HE3 LYS 3 2HE LYS 3 -0.460 44.565 9.334 540 HZ1 LYS 3 3HZ LYS 3 -0.137 47.395 8.810 541 HZ2 LYS 3 1HZ LYS 3 -1.507 46.693 8.109 542 HZ3 LYS 3 2HZ LYS 3 0.029 46.074 7.767 543 H LEU 4 H LEU 4 -1.900 42.127 12.680 544 HA LEU 4 HA LEU 4 -2.592 39.811 11.279 545 HG LEU 4 HG LEU 4 -0.928 40.916 14.333 546 HB2 LEU 4 1HB LEU 4 -0.634 38.793 12.330 547 HB3 LEU 4 2HB LEU 4 -0.291 40.413 11.727 548 HD11 LEU 4 1HD1 LEU 4 -1.034 38.822 15.248 549 HD12 LEU 4 2HD1 LEU 4 0.683 39.169 15.451 550 HD13 LEU 4 3HD1 LEU 4 0.142 38.147 14.120 551 HD21 LEU 4 3HD2 LEU 4 1.284 41.547 14.549 552 HD22 LEU 4 1HD2 LEU 4 1.069 41.554 12.799 553 HD23 LEU 4 2HD2 LEU 4 1.875 40.195 13.583 554 H ARG 5 H ARG 5 -3.041 40.692 14.638 555 HA ARG 5 HA ARG 5 -3.702 38.088 15.573 556 HE ARG 5 HE ARG 5 -4.259 40.589 19.491 557 HB2 ARG 5 1HB ARG 5 -3.647 40.806 16.643 558 HB3 ARG 5 2HB ARG 5 -4.979 39.848 17.278 559 HG2 ARG 5 1HG ARG 5 -3.610 38.432 18.406 560 HG3 ARG 5 2HG ARG 5 -2.300 38.588 17.233 561 HD2 ARG 5 1HD ARG 5 -1.604 39.630 19.271 562 HD3 ARG 5 2HD ARG 5 -1.907 40.896 18.082 563 HH11 ARG 5 1HH1 ARG 5 -0.959 41.446 20.199 564 HH12 ARG 5 2HH1 ARG 5 -1.374 42.461 21.541 565 HH21 ARG 5 2HH2 ARG 5 -3.568 42.732 22.140 566 HH22 ARG 5 1HH2 ARG 5 -4.817 41.924 21.255 567 H GLU 6 H GLU 6 -5.619 40.853 14.462 568 HA GLU 6 HA GLU 6 -8.157 39.825 15.018 569 HB2 GLU 6 1HB GLU 6 -7.211 41.741 12.888 570 HB3 GLU 6 2HB GLU 6 -8.908 41.365 13.149 571 HG2 GLU 6 1HG GLU 6 -7.982 42.020 15.668 572 HG3 GLU 6 2HG GLU 6 -7.157 43.154 14.600 573 H GLU 7 H GLU 7 -6.138 39.515 12.120 574 HA GLU 7 HA GLU 7 -8.079 37.919 10.729 575 HB2 GLU 7 1HB GLU 7 -6.307 37.634 9.043 576 HB3 GLU 7 2HB GLU 7 -6.545 39.323 9.471 577 HG2 GLU 7 1HG GLU 7 -4.589 39.212 10.947 578 HG3 GLU 7 2HG GLU 7 -4.339 37.535 10.468 579 H ALA 8 H ALA 8 -5.242 37.330 12.700 580 HA ALA 8 HA ALA 8 -4.670 34.698 12.104 581 HB1 ALA 8 3HB ALA 8 -4.550 36.138 14.745 582 HB2 ALA 8 1HB ALA 8 -3.885 34.527 14.478 583 HB3 ALA 8 2HB ALA 8 -3.246 35.905 13.581 584 H ALA 9 H ALA 9 -7.013 35.911 14.494 585 HA ALA 9 HA ALA 9 -7.924 33.407 15.371 586 HB1 ALA 9 3HB ALA 9 -8.347 35.881 16.230 587 HB2 ALA 9 1HB ALA 9 -9.835 35.676 15.303 588 HB3 ALA 9 2HB ALA 9 -9.448 34.557 16.611 589 H LYS 10 H LYS 10 -8.751 35.337 12.581 590 HA LYS 10 HA LYS 10 -11.134 33.900 11.922 591 HB2 LYS 10 1HB LYS 10 -10.854 36.172 11.137 592 HB3 LYS 10 2HB LYS 10 -9.377 35.736 10.286 593 HG2 LYS 10 1HG LYS 10 -11.688 34.145 9.491 594 HG3 LYS 10 2HG LYS 10 -11.874 35.873 9.184 595 HD2 LYS 10 1HD LYS 10 -9.670 35.843 8.031 596 HD3 LYS 10 2HD LYS 10 -9.630 34.091 8.238 597 HE2 LYS 10 1HE LYS 10 -11.826 34.008 7.011 598 HE3 LYS 10 2HE LYS 10 -11.597 35.716 6.639 599 HZ1 LYS 10 3HZ LYS 10 -9.642 35.220 5.413 600 HZ2 LYS 10 1HZ LYS 10 -10.842 34.156 4.875 601 HZ3 LYS 10 2HZ LYS 10 -9.636 33.609 5.927 602 H LEU 11 H LEU 11 -7.735 33.614 11.116 603 HA LEU 11 HA LEU 11 -7.908 31.902 8.920 604 HG LEU 11 HG LEU 11 -6.097 33.456 8.449 605 HB2 LEU 11 1HB LEU 11 -5.869 32.606 10.921 606 HB3 LEU 11 2HB LEU 11 -5.649 31.040 10.142 607 HD11 LEU 11 1HD1 LEU 11 -4.299 34.483 9.253 608 HD12 LEU 11 2HD1 LEU 11 -3.343 33.149 8.608 609 HD13 LEU 11 3HD1 LEU 11 -3.891 33.110 10.284 610 HD21 LEU 11 3HD2 LEU 11 -5.880 30.926 7.758 611 HD22 LEU 11 1HD2 LEU 11 -4.156 31.266 7.907 612 HD23 LEU 11 2HD2 LEU 11 -5.146 32.201 6.786 613 H PHE 12 H PHE 12 -8.239 31.280 12.340 614 HA PHE 12 HA PHE 12 -7.880 28.515 12.382 615 HD1 PHE 12 HD1 PHE 12 -6.581 30.678 13.558 616 HD2 PHE 12 HD2 PHE 12 -8.620 28.099 16.263 617 HE1 PHE 12 HE1 PHE 12 -4.563 30.558 14.960 618 HE2 PHE 12 HE2 PHE 12 -6.605 27.976 17.669 619 HZ PHE 12 HZ PHE 12 -4.573 29.207 17.019 620 HB2 PHE 12 1HB PHE 12 -9.394 30.455 14.075 621 HB3 PHE 12 2HB PHE 12 -9.669 28.733 14.319 622 H GLU 13 H GLU 13 -10.568 30.445 11.294 623 HA GLU 13 HA GLU 13 -12.509 28.371 11.258 624 HB2 GLU 13 1HB GLU 13 -12.675 31.034 11.005 625 HB3 GLU 13 2HB GLU 13 -12.708 30.597 9.303 626 HG2 GLU 13 1HG GLU 13 -14.528 28.870 10.226 627 HG3 GLU 13 2HG GLU 13 -14.720 30.159 11.413 628 H GLU 14 H GLU 14 -10.042 29.436 9.028 629 HA GLU 14 HA GLU 14 -10.902 28.332 6.648 630 HB2 GLU 14 1HB GLU 14 -8.075 28.410 7.719 631 HB3 GLU 14 2HB GLU 14 -8.520 28.157 6.037 632 HG2 GLU 14 1HG GLU 14 -8.856 30.639 7.689 633 HG3 GLU 14 2HG GLU 14 -7.884 30.417 6.236 634 H TRP 15 H TRP 15 -9.140 26.756 9.291 635 HA TRP 15 HA TRP 15 -8.750 24.267 8.106 636 HD1 TRP 15 HD1 TRP 15 -6.642 25.350 8.374 637 HE1 TRP 15 HE1 TRP 15 -4.735 26.706 9.446 638 HE3 TRP 15 HE3 TRP 15 -8.218 25.262 13.236 639 HZ2 TRP 15 HZ2 TRP 15 -3.996 27.618 12.013 640 HZ3 TRP 15 HZ3 TRP 15 -6.853 26.400 14.939 641 HH2 TRP 15 HH2 TRP 15 -4.786 27.552 14.339 642 HB2 TRP 15 1HB TRP 15 -9.334 24.725 11.036 643 HB3 TRP 15 2HB TRP 15 -8.407 23.407 10.324 644 H LYS 16 H LYS 16 -11.460 25.384 10.123 645 HA LYS 16 HA LYS 16 -12.924 22.962 9.941 646 HB2 LYS 16 1HB LYS 16 -13.356 24.503 11.750 647 HB3 LYS 16 2HB LYS 16 -13.791 25.776 10.619 648 HG2 LYS 16 1HG LYS 16 -15.355 23.280 10.445 649 HG3 LYS 16 2HG LYS 16 -15.585 24.262 11.895 650 HD2 LYS 16 1HD LYS 16 -15.583 26.044 9.719 651 HD3 LYS 16 2HD LYS 16 -16.592 24.677 9.240 652 HE2 LYS 16 1HE LYS 16 -17.888 26.439 10.358 653 HE3 LYS 16 2HE LYS 16 -17.922 24.920 11.253 654 HZ1 LYS 16 3HZ LYS 16 -17.166 27.419 12.189 655 HZ2 LYS 16 1HZ LYS 16 -15.752 26.493 12.128 656 HZ3 LYS 16 2HZ LYS 16 -17.085 25.943 13.012 657 H LYS 17 H LYS 17 -12.616 25.731 7.882 658 HA LYS 17 HA LYS 17 -15.005 25.505 6.418 659 HB2 LYS 17 1HB LYS 17 -12.838 27.203 6.401 660 HB3 LYS 17 2HB LYS 17 -12.676 26.367 4.862 661 HG2 LYS 17 1HG LYS 17 -14.546 27.310 3.993 662 HG3 LYS 17 2HG LYS 17 -15.360 27.402 5.557 663 HD2 LYS 17 1HD LYS 17 -14.110 29.324 6.187 664 HD3 LYS 17 2HD LYS 17 -13.013 29.139 4.816 665 HE2 LYS 17 1HE LYS 17 -15.938 29.502 4.331 666 HE3 LYS 17 2HE LYS 17 -14.945 30.900 4.739 667 HZ1 LYS 17 3HZ LYS 17 -15.098 29.430 2.285 668 HZ2 LYS 17 1HZ LYS 17 -13.505 29.627 2.820 669 HZ3 LYS 17 2HZ LYS 17 -14.488 30.981 2.578 670 H LEU 18 H LEU 18 -11.787 24.108 5.866 671 HA LEU 18 HA LEU 18 -12.587 22.717 3.496 672 HG LEU 18 HG LEU 18 -8.941 23.225 3.179 673 HB2 LEU 18 1HB LEU 18 -10.157 22.782 5.220 674 HB3 LEU 18 2HB LEU 18 -10.361 21.447 4.087 675 HD11 LEU 18 1HD1 LEU 18 -9.892 23.273 1.040 676 HD12 LEU 18 2HD1 LEU 18 -11.537 23.237 1.673 677 HD13 LEU 18 3HD1 LEU 18 -10.522 21.799 1.775 678 HD21 LEU 18 3HD2 LEU 18 -9.686 25.415 2.794 679 HD22 LEU 18 1HD2 LEU 18 -10.197 25.049 4.442 680 HD23 LEU 18 2HD2 LEU 18 -11.368 24.995 3.123 681 H ALA 19 H ALA 19 -12.413 21.966 6.908 682 HA ALA 19 HA ALA 19 -12.632 19.160 6.717 683 HB1 ALA 19 3HB ALA 19 -12.099 20.744 8.750 684 HB2 ALA 19 1HB ALA 19 -13.836 20.605 9.023 685 HB3 ALA 19 2HB ALA 19 -12.829 19.157 8.997 686 H GLU 20 H GLU 20 -15.060 21.727 6.956 687 HA GLU 20 HA GLU 20 -17.304 20.027 7.182 688 HB2 GLU 20 1HB GLU 20 -17.278 22.466 7.729 689 HB3 GLU 20 2HB GLU 20 -17.216 22.810 6.006 690 HG2 GLU 20 1HG GLU 20 -19.418 22.726 5.912 691 HG3 GLU 20 2HG GLU 20 -19.378 21.042 6.435 692 H GLU 21 H GLU 21 -15.711 21.520 4.395 693 HA GLU 21 HA GLU 21 -17.571 20.629 2.461 694 HB2 GLU 21 1HB GLU 21 -14.922 21.895 2.470 695 HB3 GLU 21 2HB GLU 21 -15.211 20.858 1.080 696 HG2 GLU 21 1HG GLU 21 -17.094 22.121 0.411 697 HG3 GLU 21 2HG GLU 21 -17.128 23.005 1.935 698 H ALA 22 H ALA 22 -14.789 19.151 3.963 699 HA ALA 22 HA ALA 22 -14.459 17.030 2.104 700 HB1 ALA 22 3HB ALA 22 -13.278 17.863 4.597 701 HB2 ALA 22 1HB ALA 22 -13.536 16.118 4.572 702 HB3 ALA 22 2HB ALA 22 -12.591 16.887 3.298 703 H ALA 23 H ALA 23 -16.503 17.513 4.894 704 HA ALA 23 HA ALA 23 -17.223 14.922 5.532 705 HB1 ALA 23 3HB ALA 23 -18.999 15.815 6.699 706 HB2 ALA 23 1HB ALA 23 -17.921 17.205 6.573 707 HB3 ALA 23 2HB ALA 23 -19.305 17.062 5.490 708 H LYS 24 H LYS 24 -18.222 16.902 2.826 709 HA LYS 24 HA LYS 24 -20.388 15.222 2.017 710 HB2 LYS 24 1HB LYS 24 -19.706 17.749 1.408 711 HB3 LYS 24 2HB LYS 24 -19.020 16.929 0.011 712 HG2 LYS 24 1HG LYS 24 -21.240 15.892 -0.397 713 HG3 LYS 24 2HG LYS 24 -21.891 16.880 0.914 714 HD2 LYS 24 1HD LYS 24 -20.733 18.815 -0.497 715 HD3 LYS 24 2HD LYS 24 -21.008 17.669 -1.810 716 HE2 LYS 24 1HE LYS 24 -23.378 17.725 -0.305 717 HE3 LYS 24 2HE LYS 24 -22.872 19.404 -0.484 718 HZ1 LYS 24 3HZ LYS 24 -22.635 18.920 -2.913 719 HZ2 LYS 24 1HZ LYS 24 -24.224 18.887 -2.332 720 HZ3 LYS 24 2HZ LYS 24 -23.404 17.439 -2.638 721 H LEU 25 H LEU 25 -16.963 15.378 1.321 722 HA LEU 25 HA LEU 25 -17.045 13.587 -0.907 723 HG LEU 25 HG LEU 25 -15.842 15.162 -1.936 724 HB2 LEU 25 1HB LEU 25 -14.926 14.830 0.768 725 HB3 LEU 25 2HB LEU 25 -14.504 13.414 -0.191 726 HD11 LEU 25 1HD1 LEU 25 -14.149 16.575 0.053 727 HD12 LEU 25 2HD1 LEU 25 -15.588 17.124 -0.806 728 HD13 LEU 25 3HD1 LEU 25 -14.034 17.063 -1.638 729 HD21 LEU 25 3HD2 LEU 25 -13.710 15.211 -3.078 730 HD22 LEU 25 1HD2 LEU 25 -14.016 13.589 -2.457 731 HD23 LEU 25 2HD2 LEU 25 -12.885 14.654 -1.621 732 H LEU 26 H LEU 26 -16.669 13.250 2.554 733 HA LEU 26 HA LEU 26 -15.827 10.509 2.455 734 HG LEU 26 HG LEU 26 -15.835 9.398 4.727 735 HB2 LEU 26 1HB LEU 26 -15.207 11.939 4.318 736 HB3 LEU 26 2HB LEU 26 -16.905 12.176 4.724 737 HD11 LEU 26 1HD1 LEU 26 -15.372 10.011 7.269 738 HD12 LEU 26 2HD1 LEU 26 -14.974 11.571 6.549 739 HD13 LEU 26 3HD1 LEU 26 -14.121 10.116 6.030 740 HD21 LEU 26 3HD2 LEU 26 -18.222 10.646 5.425 741 HD22 LEU 26 1HD2 LEU 26 -17.446 10.265 6.962 742 HD23 LEU 26 2HD2 LEU 26 -17.746 8.986 5.785 743 H GLU 27 H GLU 27 -18.854 12.192 2.508 744 HA GLU 27 HA GLU 27 -20.423 9.947 3.368 745 HB2 GLU 27 1HB GLU 27 -20.986 12.702 2.385 746 HB3 GLU 27 2HB GLU 27 -22.275 11.512 2.278 747 HG2 GLU 27 1HG GLU 27 -21.591 11.085 4.797 748 HG3 GLU 27 2HG GLU 27 -21.023 12.748 4.662 749 H GLY 28 H GLY 28 -19.221 11.154 0.348 750 HA2 GLY 28 1HA GLY 28 -21.020 10.049 -1.464 751 HA3 GLY 28 2HA GLY 28 -19.309 10.298 -1.780 752 H GLY 29 H GLY 29 -18.524 8.490 0.428 753 HA2 GLY 29 1HA GLY 29 -19.117 5.953 -0.962 754 HA3 GLY 29 2HA GLY 29 -17.607 6.303 -0.137 755 H GLY 30 H GLY 30 -21.042 6.573 0.791 756 HA2 GLY 30 1HA GLY 30 -20.947 4.419 2.631 757 HA3 GLY 30 2HA GLY 30 -20.682 5.938 3.475 758 H GLY 31 H GLY 31 -22.465 6.686 4.391 759 HA2 GLY 31 1HA GLY 31 -24.654 7.325 4.677 760 HA3 GLY 31 2HA GLY 31 -24.850 7.167 2.939 761 H GLY 32 H GLY 32 -25.878 6.024 5.866 762 HA2 GLY 32 1HA GLY 32 -27.816 4.391 5.339 763 HA3 GLY 32 2HA GLY 32 -26.501 3.341 4.830 764 H GLY 33 H GLY 33 -28.452 4.275 7.399 765 HA2 GLY 33 1HA GLY 33 -28.484 3.735 9.631 766 HA3 GLY 33 2HA GLY 33 -27.504 2.352 9.167 767 H GLY 34 H GLY 34 -27.481 5.598 10.439 768 HA2 GLY 34 1HA GLY 34 -25.922 6.699 11.715 769 HA3 GLY 34 2HA GLY 34 -25.129 5.147 11.941 770 H GLY 35 H GLY 35 -23.239 6.708 11.879 771 HA2 GLY 35 1HA GLY 35 -21.721 6.303 9.600 772 HA3 GLY 35 2HA GLY 35 -22.480 7.876 9.397 773 H GLU 36 H GLU 36 -20.391 5.980 11.525 774 HA GLU 36 HA GLU 36 -19.622 8.105 13.213 775 HB2 GLU 36 1HB GLU 36 -19.241 5.856 13.937 776 HB3 GLU 36 2HB GLU 36 -18.272 5.499 12.515 777 HG2 GLU 36 1HG GLU 36 -16.528 6.979 13.280 778 HG3 GLU 36 2HG GLU 36 -17.511 7.469 14.658 779 H LEU 37 H LEU 37 -18.470 7.009 10.099 780 HA LEU 37 HA LEU 37 -15.991 8.236 9.971 781 HG LEU 37 HG LEU 37 -17.261 5.822 8.997 782 HB2 LEU 37 1HB LEU 37 -17.994 8.024 7.730 783 HB3 LEU 37 2HB LEU 37 -16.251 8.227 7.563 784 HD11 LEU 37 1HD1 LEU 37 -18.252 4.868 7.253 785 HD12 LEU 37 2HD1 LEU 37 -16.945 5.336 6.166 786 HD13 LEU 37 3HD1 LEU 37 -18.266 6.458 6.489 787 HD21 LEU 37 3HD2 LEU 37 -15.297 4.838 7.785 788 HD22 LEU 37 1HD2 LEU 37 -14.902 6.120 8.931 789 HD23 LEU 37 2HD2 LEU 37 -14.930 6.462 7.201 790 H MET 38 H MET 38 -19.181 9.630 9.745 791 HA MET 38 HA MET 38 -18.316 12.156 8.712 792 HB2 MET 38 1HB MET 38 -20.881 11.576 10.194 793 HB3 MET 38 2HB MET 38 -20.571 12.889 9.066 794 HG2 MET 38 1HG MET 38 -20.195 11.091 7.314 795 HG3 MET 38 2HG MET 38 -20.894 9.967 8.478 796 HE1 MET 38 3HE MET 38 -23.077 10.208 9.554 797 HE2 MET 38 1HE MET 38 -24.519 10.768 8.707 798 HE3 MET 38 2HE MET 38 -23.600 9.402 8.074 799 H LYS 39 H LYS 39 -18.771 10.768 11.888 800 HA LYS 39 HA LYS 39 -18.588 13.263 13.293 801 HB2 LYS 39 1HB LYS 39 -18.171 10.478 14.387 802 HB3 LYS 39 2HB LYS 39 -18.563 11.928 15.302 803 HG2 LYS 39 1HG LYS 39 -20.374 10.723 13.224 804 HG3 LYS 39 2HG LYS 39 -20.471 10.364 14.949 805 HD2 LYS 39 1HD LYS 39 -20.487 13.058 15.024 806 HD3 LYS 39 2HD LYS 39 -21.267 12.788 13.463 807 HE2 LYS 39 1HE LYS 39 -23.037 12.834 14.985 808 HE3 LYS 39 2HE LYS 39 -22.754 11.117 14.709 809 HZ1 LYS 39 3HZ LYS 39 -21.600 12.610 16.996 810 HZ2 LYS 39 1HZ LYS 39 -21.625 10.933 16.768 811 HZ3 LYS 39 2HZ LYS 39 -23.064 11.766 17.081 812 H LEU 40 H LEU 40 -16.356 10.824 12.191 813 HA LEU 40 HA LEU 40 -14.155 11.362 13.808 814 HG LEU 40 HG LEU 40 -12.726 8.591 11.943 815 HB2 LEU 40 1HB LEU 40 -14.695 9.938 11.388 816 HB3 LEU 40 2HB LEU 40 -13.195 10.845 11.204 817 HD11 LEU 40 1HD1 LEU 40 -11.410 10.576 12.802 818 HD12 LEU 40 2HD1 LEU 40 -11.284 9.087 13.738 819 HD13 LEU 40 3HD1 LEU 40 -12.313 10.401 14.307 820 HD21 LEU 40 3HD2 LEU 40 -13.631 8.529 14.590 821 HD22 LEU 40 1HD2 LEU 40 -14.186 7.537 13.241 822 HD23 LEU 40 2HD2 LEU 40 -15.014 9.048 13.624 823 H CYS 41 H CYS 41 -15.029 12.800 10.672 824 HA CYS 41 HA CYS 41 -12.843 14.605 10.610 825 HG CYS 41 HG CYS 41 -14.710 17.294 9.046 826 HB2 CYS 41 1HB CYS 41 -13.992 13.989 8.563 827 HB3 CYS 41 2HB CYS 41 -15.500 14.664 9.167 828 H GLU 42 H GLU 42 -16.194 14.891 11.697 829 HA GLU 42 HA GLU 42 -16.173 17.656 12.207 830 HB2 GLU 42 1HB GLU 42 -18.172 16.045 12.121 831 HB3 GLU 42 2HB GLU 42 -17.780 15.665 13.793 832 HG2 GLU 42 1HG GLU 42 -18.343 17.777 14.545 833 HG3 GLU 42 2HG GLU 42 -18.167 18.502 12.949 834 H GLU 43 H GLU 43 -15.112 14.903 14.097 835 HA GLU 43 HA GLU 43 -14.908 16.069 16.613 836 HB2 GLU 43 1HB GLU 43 -14.379 13.619 15.657 837 HB3 GLU 43 2HB GLU 43 -12.734 14.228 15.776 838 HG2 GLU 43 1HG GLU 43 -12.754 14.258 18.038 839 HG3 GLU 43 2HG GLU 43 -14.476 14.626 18.129 840 H ALA 44 H ALA 44 -12.636 16.114 13.905 841 HA ALA 44 HA ALA 44 -10.557 17.466 15.285 842 HB1 ALA 44 3HB ALA 44 -9.399 17.170 13.396 843 HB2 ALA 44 1HB ALA 44 -10.783 16.218 12.857 844 HB3 ALA 44 2HB ALA 44 -10.650 17.917 12.403 845 H ALA 45 H ALA 45 -13.338 18.536 13.426 846 HA ALA 45 HA ALA 45 -12.552 21.270 13.253 847 HB1 ALA 45 3HB ALA 45 -15.037 19.734 12.700 848 HB2 ALA 45 1HB ALA 45 -15.152 21.486 12.871 849 HB3 ALA 45 2HB ALA 45 -14.098 20.787 11.642 850 H LYS 46 H LYS 46 -14.117 19.340 15.667 851 HA LYS 46 HA LYS 46 -15.434 21.378 17.100 852 HB2 LYS 46 1HB LYS 46 -14.777 18.572 17.488 853 HB3 LYS 46 2HB LYS 46 -14.672 19.482 18.989 854 HG2 LYS 46 1HG LYS 46 -17.067 20.052 17.407 855 HG3 LYS 46 2HG LYS 46 -16.944 18.386 17.975 856 HD2 LYS 46 1HD LYS 46 -17.038 18.991 20.192 857 HD3 LYS 46 2HD LYS 46 -16.388 20.604 19.889 858 HE2 LYS 46 1HE LYS 46 -18.953 20.109 18.582 859 HE3 LYS 46 2HE LYS 46 -19.027 19.997 20.339 860 HZ1 LYS 46 3HZ LYS 46 -17.821 22.296 18.906 861 HZ2 LYS 46 1HZ LYS 46 -18.197 22.189 20.552 862 HZ3 LYS 46 2HZ LYS 46 -19.437 22.258 19.404 863 H LYS 47 H LYS 47 -12.123 20.258 17.077 864 HA LYS 47 HA LYS 47 -11.235 21.419 19.471 865 HB2 LYS 47 1HB LYS 47 -10.085 20.033 17.300 866 HB3 LYS 47 2HB LYS 47 -9.194 21.542 17.444 867 HG2 LYS 47 1HG LYS 47 -8.116 19.824 18.741 868 HG3 LYS 47 2HG LYS 47 -8.784 21.052 19.819 869 HD2 LYS 47 1HD LYS 47 -10.682 19.633 20.313 870 HD3 LYS 47 2HD LYS 47 -10.118 18.427 19.154 871 HE2 LYS 47 1HE LYS 47 -8.954 17.465 20.780 872 HE3 LYS 47 2HE LYS 47 -7.969 18.922 20.897 873 HZ1 LYS 47 3HZ LYS 47 -8.756 18.836 23.006 874 HZ2 LYS 47 1HZ LYS 47 -10.185 18.037 22.578 875 HZ3 LYS 47 2HZ LYS 47 -10.036 19.701 22.316 876 H ALA 48 H ALA 48 -11.636 22.746 16.238 877 HA ALA 48 HA ALA 48 -10.280 25.181 16.651 878 HB1 ALA 48 3HB ALA 48 -12.159 25.826 14.798 879 HB2 ALA 48 1HB ALA 48 -10.632 25.018 14.441 880 HB3 ALA 48 2HB ALA 48 -12.106 24.070 14.643 881 H GLU 49 H GLU 49 -13.683 24.272 17.064 882 HA GLU 49 HA GLU 49 -14.645 26.829 17.728 883 HB2 GLU 49 1HB GLU 49 -15.624 24.062 17.897 884 HB3 GLU 49 2HB GLU 49 -16.304 25.146 19.103 885 HG2 GLU 49 1HG GLU 49 -16.452 26.597 16.758 886 HG3 GLU 49 2HG GLU 49 -16.842 24.951 16.266 887 H GLU 50 H GLU 50 -13.104 24.326 19.632 888 HA GLU 50 HA GLU 50 -13.662 25.626 22.149 889 HB2 GLU 50 1HB GLU 50 -13.272 23.077 21.635 890 HB3 GLU 50 2HB GLU 50 -11.578 23.503 21.833 891 HG2 GLU 50 1HG GLU 50 -12.162 24.448 24.070 892 HG3 GLU 50 2HG GLU 50 -13.779 23.776 23.862 893 H LEU 51 H LEU 51 -11.047 25.481 19.834 894 HA LEU 51 HA LEU 51 -9.074 26.661 21.525 895 HG LEU 51 HG LEU 51 -6.937 25.183 18.976 896 HB2 LEU 51 1HB LEU 51 -9.261 25.689 18.810 897 HB3 LEU 51 2HB LEU 51 -8.374 27.211 18.883 898 HD11 LEU 51 1HD1 LEU 51 -6.097 26.074 21.468 899 HD12 LEU 51 2HD1 LEU 51 -6.919 27.459 20.754 900 HD13 LEU 51 3HD1 LEU 51 -5.587 26.687 19.896 901 HD21 LEU 51 3HD2 LEU 51 -6.990 23.672 20.723 902 HD22 LEU 51 1HD2 LEU 51 -8.705 23.979 20.451 903 HD23 LEU 51 2HD2 LEU 51 -7.869 24.771 21.788 904 H PHE 52 H PHE 52 -11.558 27.878 19.412 905 HA PHE 52 HA PHE 52 -10.579 30.500 19.070 906 HD1 PHE 52 HD1 PHE 52 -13.059 29.742 15.966 907 HD2 PHE 52 HD2 PHE 52 -11.920 32.643 18.865 908 HE1 PHE 52 HE1 PHE 52 -12.869 31.436 14.191 909 HE2 PHE 52 HE2 PHE 52 -11.729 34.341 17.095 910 HZ PHE 52 HZ PHE 52 -12.204 33.740 14.755 911 HB2 PHE 52 1HB PHE 52 -12.747 29.081 18.142 912 HB3 PHE 52 2HB PHE 52 -13.497 30.270 19.202 913 H LYS 53 H LYS 53 -12.414 28.962 21.624 914 HA LYS 53 HA LYS 53 -13.233 31.312 22.967 915 HB2 LYS 53 1HB LYS 53 -13.292 28.446 23.438 916 HB3 LYS 53 2HB LYS 53 -12.947 29.336 24.915 917 HG2 LYS 53 1HG LYS 53 -15.060 30.677 23.606 918 HG3 LYS 53 2HG LYS 53 -15.438 28.952 23.598 919 HD2 LYS 53 1HD LYS 53 -16.341 29.767 25.611 920 HD3 LYS 53 2HD LYS 53 -14.832 28.975 26.074 921 HE2 LYS 53 1HE LYS 53 -14.289 30.871 27.110 922 HE3 LYS 53 2HE LYS 53 -14.084 31.583 25.511 923 HZ1 LYS 53 3HZ LYS 53 -15.555 33.015 26.525 924 HZ2 LYS 53 1HZ LYS 53 -16.379 31.785 27.344 925 HZ3 LYS 53 2HZ LYS 53 -16.608 31.994 25.682 926 H LEU 54 H LEU 54 -10.384 29.240 23.272 927 HA LEU 54 HA LEU 54 -9.298 30.737 25.470 928 HG LEU 54 HG LEU 54 -7.904 29.385 26.739 929 HB2 LEU 54 1HB LEU 54 -8.696 28.305 24.056 930 HB3 LEU 54 2HB LEU 54 -7.239 29.279 24.249 931 HD11 LEU 54 1HD1 LEU 54 -10.188 28.302 26.077 932 HD12 LEU 54 2HD1 LEU 54 -9.400 27.866 27.594 933 HD13 LEU 54 3HD1 LEU 54 -9.278 26.795 26.198 934 HD21 LEU 54 3HD2 LEU 54 -6.043 28.153 26.645 935 HD22 LEU 54 1HD2 LEU 54 -6.553 27.332 25.171 936 HD23 LEU 54 2HD2 LEU 54 -7.114 26.755 26.740 937 H ALA 55 H ALA 55 -8.654 30.502 21.994 938 HA ALA 55 HA ALA 55 -6.418 32.122 21.812 939 HB1 ALA 55 3HB ALA 55 -7.098 32.550 19.494 940 HB2 ALA 55 1HB ALA 55 -7.267 30.850 19.929 941 HB3 ALA 55 2HB ALA 55 -8.692 31.885 19.846 942 H GLU 56 H GLU 56 -9.778 33.005 22.235 943 HA GLU 56 HA GLU 56 -9.390 35.791 21.684 944 HB2 GLU 56 1HB GLU 56 -11.575 34.646 21.405 945 HB3 GLU 56 2HB GLU 56 -11.659 34.433 23.148 946 HG2 GLU 56 1HG GLU 56 -12.988 36.293 22.729 947 HG3 GLU 56 2HG GLU 56 -11.463 36.971 23.295 948 H GLU 57 H GLU 57 -9.348 33.753 24.535 949 HA GLU 57 HA GLU 57 -9.306 35.934 26.397 950 HB2 GLU 57 1HB GLU 57 -8.727 32.986 26.691 951 HB3 GLU 57 2HB GLU 57 -8.654 34.120 28.034 952 HG2 GLU 57 1HG GLU 57 -11.057 34.723 27.429 953 HG3 GLU 57 2HG GLU 57 -11.041 33.265 26.438 954 H ARG 58 H ARG 58 -6.953 34.154 24.584 955 HA ARG 58 HA ARG 58 -4.737 35.151 26.190 956 HE ARG 58 HE ARG 58 -2.264 32.517 26.936 957 HB2 ARG 58 1HB ARG 58 -4.539 33.566 23.633 958 HB3 ARG 58 2HB ARG 58 -3.334 33.729 24.903 959 HG2 ARG 58 1HG ARG 58 -5.552 32.661 26.187 960 HG3 ARG 58 2HG ARG 58 -5.486 31.826 24.633 961 HD2 ARG 58 1HD ARG 58 -4.176 30.549 26.135 962 HD3 ARG 58 2HD ARG 58 -3.042 31.410 25.096 963 HH11 ARG 58 1HH1 ARG 58 -5.358 31.113 27.690 964 HH12 ARG 58 2HH1 ARG 58 -5.278 31.518 29.373 965 HH21 ARG 58 2HH2 ARG 58 -3.452 32.626 30.201 966 HH22 ARG 58 1HH2 ARG 58 -2.146 33.057 29.148 967 H LEU 59 H LEU 59 -6.245 35.658 23.062 968 HA LEU 59 HA LEU 59 -4.220 37.637 22.336 969 HG LEU 59 HG LEU 59 -4.989 34.802 20.934 970 HB2 LEU 59 1HB LEU 59 -6.582 36.599 20.778 971 HB3 LEU 59 2HB LEU 59 -5.347 37.696 20.165 972 HD11 LEU 59 1HD1 LEU 59 -4.424 36.025 18.267 973 HD12 LEU 59 2HD1 LEU 59 -6.063 35.539 18.698 974 HD13 LEU 59 3HD1 LEU 59 -4.765 34.346 18.679 975 HD21 LEU 59 3HD2 LEU 59 -3.037 36.118 21.603 976 HD22 LEU 59 1HD2 LEU 59 -2.933 36.792 19.978 977 HD23 LEU 59 2HD2 LEU 59 -2.668 35.068 20.235 978 H LYS 60 H LYS 60 -6.237 38.007 24.500 979 HA LYS 60 HA LYS 60 -6.808 40.712 24.088 980 HB2 LYS 60 1HB LYS 60 -8.682 38.976 22.832 981 HB3 LYS 60 2HB LYS 60 -9.483 39.716 24.212 982 HG2 LYS 60 1HG LYS 60 -8.020 41.727 22.827 983 HG3 LYS 60 2HG LYS 60 -8.991 40.823 21.662 984 HD2 LYS 60 1HD LYS 60 -10.956 41.150 23.180 985 HD3 LYS 60 2HD LYS 60 -9.950 42.223 24.155 986 HE2 LYS 60 1HE LYS 60 -9.590 43.189 21.608 987 HE3 LYS 60 2HE LYS 60 -11.285 42.701 21.605 988 HZ1 LYS 60 3HZ LYS 60 -10.132 44.380 23.752 989 HZ2 LYS 60 1HZ LYS 60 -11.763 44.134 23.380 990 HZ3 LYS 60 2HZ LYS 60 -10.788 45.046 22.343 991 H LYS 61 H LYS 61 -6.287 41.146 26.151 992 HA LYS 61 HA LYS 61 -7.249 39.532 28.338 993 HB2 LYS 61 1HB LYS 61 -4.986 40.757 28.177 994 HB3 LYS 61 2HB LYS 61 -5.890 42.203 28.607 995 HG2 LYS 61 1HG LYS 61 -6.737 40.586 30.554 996 HG3 LYS 61 2HG LYS 61 -5.156 39.861 30.250 997 HD2 LYS 61 1HD LYS 61 -4.039 41.639 31.080 998 HD3 LYS 61 2HD LYS 61 -5.191 42.802 30.419 999 HE2 LYS 61 1HE LYS 61 -5.764 43.069 32.581 1000 HE3 LYS 61 2HE LYS 61 -6.720 41.615 32.299 1001 HZ1 LYS 61 3HZ LYS 61 -5.494 40.508 33.755 1002 HZ2 LYS 61 1HZ LYS 61 -4.717 41.955 34.164 1003 HZ3 LYS 61 2HZ LYS 61 -4.053 40.941 32.982 1004 H LEU 62 H LEU 62 -9.528 40.112 27.398 1005 HA LEU 62 HA LEU 62 -10.648 42.641 27.941 1006 HG LEU 62 HG LEU 62 -11.779 39.275 28.775 1007 HB2 LEU 62 1HB LEU 62 -12.707 41.701 27.418 1008 HB3 LEU 62 2HB LEU 62 -11.557 40.748 26.483 1009 HD11 LEU 62 1HD1 LEU 62 -14.353 39.084 28.933 1010 HD12 LEU 62 2HD1 LEU 62 -14.349 40.727 28.294 1011 HD13 LEU 62 3HD1 LEU 62 -13.533 40.373 29.816 1012 HD21 LEU 62 3HD2 LEU 62 -11.932 38.692 26.269 1013 HD22 LEU 62 1HD2 LEU 62 -13.672 38.885 26.486 1014 HD23 LEU 62 2HD2 LEU 62 -12.795 37.677 27.427 Start of MODEL 4 1 HA MET 1 HA MET 1 -12.080 -2.554 1.222 2 H1 MET 1 1H MET 1 -14.077 -4.222 0.295 3 HB2 MET 1 1HB MET 1 -12.142 -4.311 -0.737 4 HB3 MET 1 2HB MET 1 -12.450 -2.891 -1.727 5 HG2 MET 1 1HG MET 1 -10.229 -2.531 0.117 6 HG3 MET 1 2HG MET 1 -9.989 -3.866 -1.010 7 HE1 MET 1 3HE MET 1 -7.997 -2.907 -2.296 8 HE2 MET 1 1HE MET 1 -9.204 -3.594 -3.384 9 HE3 MET 1 2HE MET 1 -8.407 -2.076 -3.797 10 H LYS 2 H LYS 2 -11.682 -0.424 1.166 11 HA LYS 2 HA LYS 2 -13.740 1.318 0.069 12 HB2 LYS 2 1HB LYS 2 -11.531 1.610 2.046 13 HB3 LYS 2 2HB LYS 2 -12.055 3.054 1.190 14 HG2 LYS 2 1HG LYS 2 -13.515 3.227 2.879 15 HG3 LYS 2 2HG LYS 2 -14.440 2.041 1.955 16 HD2 LYS 2 1HD LYS 2 -14.386 1.119 4.088 17 HD3 LYS 2 2HD LYS 2 -13.062 0.291 3.266 18 HE2 LYS 2 1HE LYS 2 -11.784 0.928 4.980 19 HE3 LYS 2 2HE LYS 2 -11.865 2.552 4.296 20 HZ1 LYS 2 3HZ LYS 2 -14.173 2.312 5.728 21 HZ2 LYS 2 1HZ LYS 2 -12.781 3.139 6.218 22 HZ3 LYS 2 2HZ LYS 2 -13.027 1.538 6.702 23 H LYS 3 H LYS 3 -13.269 3.097 -1.309 24 HA LYS 3 HA LYS 3 -10.836 2.720 -2.931 25 HB2 LYS 3 1HB LYS 3 -12.239 3.784 -4.783 26 HB3 LYS 3 2HB LYS 3 -12.635 2.131 -4.331 27 HG2 LYS 3 1HG LYS 3 -14.703 2.692 -3.750 28 HG3 LYS 3 2HG LYS 3 -14.142 4.059 -2.784 29 HD2 LYS 3 1HD LYS 3 -14.157 5.510 -4.636 30 HD3 LYS 3 2HD LYS 3 -14.259 4.175 -5.786 31 HE2 LYS 3 1HE LYS 3 -16.505 3.828 -5.385 32 HE3 LYS 3 2HE LYS 3 -16.440 4.563 -3.784 33 HZ1 LYS 3 3HZ LYS 3 -16.172 6.727 -4.836 34 HZ2 LYS 3 1HZ LYS 3 -17.602 5.980 -5.346 35 HZ3 LYS 3 2HZ LYS 3 -16.256 6.015 -6.368 36 H LEU 4 H LEU 4 -12.994 4.996 -1.379 37 HA LEU 4 HA LEU 4 -11.263 7.227 -2.175 38 HG LEU 4 HG LEU 4 -14.265 6.135 -0.407 39 HB2 LEU 4 1HB LEU 4 -13.061 8.666 -1.319 40 HB3 LEU 4 2HB LEU 4 -13.606 7.581 -2.597 41 HD11 LEU 4 1HD1 LEU 4 -15.459 7.908 1.042 42 HD12 LEU 4 2HD1 LEU 4 -14.264 9.022 0.378 43 HD13 LEU 4 3HD1 LEU 4 -13.740 7.612 1.299 44 HD21 LEU 4 3HD2 LEU 4 -16.036 6.280 -1.771 45 HD22 LEU 4 1HD2 LEU 4 -15.639 7.925 -2.271 46 HD23 LEU 4 2HD2 LEU 4 -16.510 7.648 -0.762 47 H ARG 5 H ARG 5 -10.550 5.198 -0.158 48 HA ARG 5 HA ARG 5 -10.796 6.365 2.430 49 HE ARG 5 HE ARG 5 -7.017 4.299 5.233 50 HB2 ARG 5 1HB ARG 5 -10.454 3.995 2.265 51 HB3 ARG 5 2HB ARG 5 -8.977 4.218 1.337 52 HG2 ARG 5 1HG ARG 5 -8.768 5.591 3.845 53 HG3 ARG 5 2HG ARG 5 -9.236 3.910 4.106 54 HD2 ARG 5 1HD ARG 5 -7.350 3.169 2.741 55 HD3 ARG 5 2HD ARG 5 -6.892 4.847 2.457 56 HH11 ARG 5 1HH1 ARG 5 -5.059 3.752 2.407 57 HH12 ARG 5 2HH1 ARG 5 -3.581 3.607 3.299 58 HH21 ARG 5 2HH2 ARG 5 -3.593 3.812 5.580 59 HH22 ARG 5 1HH2 ARG 5 -5.078 4.113 6.418 60 H GLU 6 H GLU 6 -8.076 6.111 0.140 61 HA GLU 6 HA GLU 6 -6.233 7.589 1.640 62 HB2 GLU 6 1HB GLU 6 -6.374 7.476 -1.374 63 HB3 GLU 6 2HB GLU 6 -4.951 7.788 -0.388 64 HG2 GLU 6 1HG GLU 6 -5.891 5.337 0.508 65 HG3 GLU 6 2HG GLU 6 -6.094 5.280 -1.242 66 H GLU 7 H GLU 7 -8.630 8.614 -0.744 67 HA GLU 7 HA GLU 7 -7.868 11.283 -1.006 68 HB2 GLU 7 1HB GLU 7 -10.457 9.819 -1.331 69 HB3 GLU 7 2HB GLU 7 -10.450 11.576 -1.403 70 HG2 GLU 7 1HG GLU 7 -8.482 10.104 -3.066 71 HG3 GLU 7 2HG GLU 7 -10.174 10.087 -3.561 72 H ALA 8 H ALA 8 -10.352 9.908 1.154 73 HA ALA 8 HA ALA 8 -10.888 12.307 2.527 74 HB1 ALA 8 3HB ALA 8 -11.751 10.656 4.324 75 HB2 ALA 8 1HB ALA 8 -12.545 10.705 2.750 76 HB3 ALA 8 2HB ALA 8 -11.395 9.419 3.119 77 H ALA 9 H ALA 9 -8.634 9.663 3.173 78 HA ALA 9 HA ALA 9 -7.789 10.523 5.719 79 HB1 ALA 9 3HB ALA 9 -6.079 9.012 3.761 80 HB2 ALA 9 1HB ALA 9 -6.033 8.958 5.523 81 HB3 ALA 9 2HB ALA 9 -7.402 8.262 4.654 82 H LYS 10 H LYS 10 -6.872 11.470 2.487 83 HA LYS 10 HA LYS 10 -4.493 12.862 3.265 84 HB2 LYS 10 1HB LYS 10 -5.057 11.914 0.950 85 HB3 LYS 10 2HB LYS 10 -6.064 13.341 0.739 86 HG2 LYS 10 1HG LYS 10 -4.211 14.235 -0.137 87 HG3 LYS 10 2HG LYS 10 -3.736 14.468 1.548 88 HD2 LYS 10 1HD LYS 10 -1.999 13.110 1.273 89 HD3 LYS 10 2HD LYS 10 -3.070 11.808 0.751 90 HE2 LYS 10 1HE LYS 10 -2.566 13.894 -1.258 91 HE3 LYS 10 2HE LYS 10 -1.152 12.946 -0.797 92 HZ1 LYS 10 3HZ LYS 10 -3.154 11.107 -1.138 93 HZ2 LYS 10 1HZ LYS 10 -1.887 11.422 -2.212 94 HZ3 LYS 10 2HZ LYS 10 -3.377 12.198 -2.412 95 H LEU 11 H LEU 11 -7.871 13.682 2.872 96 HA LEU 11 HA LEU 11 -7.764 16.439 2.718 97 HG LEU 11 HG LEU 11 -11.371 16.054 2.563 98 HB2 LEU 11 1HB LEU 11 -9.718 14.459 3.284 99 HB3 LEU 11 2HB LEU 11 -9.875 15.736 4.489 100 HD11 LEU 11 1HD1 LEU 11 -9.892 17.927 3.861 101 HD12 LEU 11 2HD1 LEU 11 -11.194 18.281 2.724 102 HD13 LEU 11 3HD1 LEU 11 -9.518 18.289 2.176 103 HD21 LEU 11 3HD2 LEU 11 -8.818 16.370 0.987 104 HD22 LEU 11 1HD2 LEU 11 -10.452 16.658 0.389 105 HD23 LEU 11 2HD2 LEU 11 -9.956 15.029 0.849 106 H PHE 12 H PHE 12 -7.210 14.352 5.458 107 HA PHE 12 HA PHE 12 -7.490 16.174 7.548 108 HD1 PHE 12 HD1 PHE 12 -8.810 13.908 6.886 109 HD2 PHE 12 HD2 PHE 12 -6.428 13.545 10.396 110 HE1 PHE 12 HE1 PHE 12 -10.720 12.913 8.075 111 HE2 PHE 12 HE2 PHE 12 -8.335 12.548 11.590 112 HZ PHE 12 HZ PHE 12 -10.484 12.231 10.429 113 HB2 PHE 12 1HB PHE 12 -5.934 13.658 7.155 114 HB3 PHE 12 2HB PHE 12 -5.570 14.651 8.563 115 H GLU 13 H GLU 13 -4.923 15.748 5.228 116 HA GLU 13 HA GLU 13 -2.932 17.229 6.604 117 HB2 GLU 13 1HB GLU 13 -2.905 15.654 4.412 118 HB3 GLU 13 2HB GLU 13 -2.904 17.236 3.643 119 HG2 GLU 13 1HG GLU 13 -0.662 16.820 3.833 120 HG3 GLU 13 2HG GLU 13 -0.968 17.742 5.304 121 H GLU 14 H GLU 14 -5.514 18.097 4.392 122 HA GLU 14 HA GLU 14 -4.767 20.651 3.656 123 HB2 GLU 14 1HB GLU 14 -7.034 19.096 3.379 124 HB3 GLU 14 2HB GLU 14 -7.605 20.463 4.325 125 HG2 GLU 14 1HG GLU 14 -7.893 21.456 2.353 126 HG3 GLU 14 2HG GLU 14 -6.149 21.708 2.395 127 H TRP 15 H TRP 15 -6.620 19.678 6.533 128 HA TRP 15 HA TRP 15 -7.053 22.169 7.645 129 HD1 TRP 15 HD1 TRP 15 -9.063 21.173 6.930 130 HE1 TRP 15 HE1 TRP 15 -10.970 19.467 6.650 131 HE3 TRP 15 HE3 TRP 15 -7.569 17.713 10.385 132 HZ2 TRP 15 HZ2 TRP 15 -11.739 16.984 7.750 133 HZ3 TRP 15 HZ3 TRP 15 -8.947 15.701 10.710 134 HH2 TRP 15 HH2 TRP 15 -10.988 15.345 9.419 135 HB2 TRP 15 1HB TRP 15 -6.397 19.669 9.214 136 HB3 TRP 15 2HB TRP 15 -7.346 21.049 9.762 137 H LYS 16 H LYS 16 -4.241 20.041 8.059 138 HA LYS 16 HA LYS 16 -2.843 21.694 9.859 139 HB2 LYS 16 1HB LYS 16 -1.900 19.588 7.914 140 HB3 LYS 16 2HB LYS 16 -0.822 20.399 9.043 141 HG2 LYS 16 1HG LYS 16 -3.277 19.097 10.103 142 HG3 LYS 16 2HG LYS 16 -1.912 18.086 9.622 143 HD2 LYS 16 1HD LYS 16 -1.526 20.452 11.424 144 HD3 LYS 16 2HD LYS 16 -2.048 18.893 12.068 145 HE2 LYS 16 1HE LYS 16 0.152 18.480 10.295 146 HE3 LYS 16 2HE LYS 16 0.576 19.748 11.445 147 HZ1 LYS 16 3HZ LYS 16 -0.653 17.244 12.392 148 HZ2 LYS 16 1HZ LYS 16 0.338 18.329 13.230 149 HZ3 LYS 16 2HZ LYS 16 1.004 17.301 12.063 150 H LYS 17 H LYS 17 -3.053 21.652 6.362 151 HA LYS 17 HA LYS 17 -0.858 23.226 5.701 152 HB2 LYS 17 1HB LYS 17 -2.937 22.089 4.318 153 HB3 LYS 17 2HB LYS 17 -3.281 23.806 4.146 154 HG2 LYS 17 1HG LYS 17 -0.917 24.093 3.347 155 HG3 LYS 17 2HG LYS 17 -0.800 22.332 3.305 156 HD2 LYS 17 1HD LYS 17 -3.198 23.129 1.981 157 HD3 LYS 17 2HD LYS 17 -1.853 24.071 1.335 158 HE2 LYS 17 1HE LYS 17 -0.694 21.672 1.357 159 HE3 LYS 17 2HE LYS 17 -2.372 21.151 1.215 160 HZ1 LYS 17 3HZ LYS 17 -2.368 22.989 -0.648 161 HZ2 LYS 17 1HZ LYS 17 -1.854 21.408 -0.967 162 HZ3 LYS 17 2HZ LYS 17 -0.716 22.628 -0.690 163 H LEU 18 H LEU 18 -4.156 24.224 6.564 164 HA LEU 18 HA LEU 18 -3.566 27.018 6.348 165 HG LEU 18 HG LEU 18 -5.686 25.537 5.036 166 HB2 LEU 18 1HB LEU 18 -5.873 25.519 7.574 167 HB3 LEU 18 2HB LEU 18 -5.785 27.278 7.487 168 HD11 LEU 18 1HD1 LEU 18 -8.140 26.841 6.193 169 HD12 LEU 18 2HD1 LEU 18 -7.763 25.127 6.360 170 HD13 LEU 18 3HD1 LEU 18 -8.038 25.818 4.761 171 HD21 LEU 18 3HD2 LEU 18 -5.245 27.497 4.082 172 HD22 LEU 18 1HD2 LEU 18 -5.534 28.368 5.589 173 HD23 LEU 18 2HD2 LEU 18 -6.882 27.993 4.514 174 H ALA 19 H ALA 19 -3.530 24.636 8.905 175 HA ALA 19 HA ALA 19 -3.479 26.356 11.122 176 HB1 ALA 19 3HB ALA 19 -2.322 23.602 10.743 177 HB2 ALA 19 1HB ALA 19 -2.385 24.440 12.293 178 HB3 ALA 19 2HB ALA 19 -3.879 24.027 11.453 179 H GLU 20 H GLU 20 -0.854 25.033 9.137 180 HA GLU 20 HA GLU 20 1.247 26.183 10.659 181 HB2 GLU 20 1HB GLU 20 1.473 24.252 9.063 182 HB3 GLU 20 2HB GLU 20 1.323 25.402 7.742 183 HG2 GLU 20 1HG GLU 20 3.328 26.569 8.562 184 HG3 GLU 20 2HG GLU 20 3.493 25.353 9.827 185 H GLU 21 H GLU 21 -0.685 27.296 7.953 186 HA GLU 21 HA GLU 21 0.934 29.569 7.356 187 HB2 GLU 21 1HB GLU 21 -1.260 28.286 6.182 188 HB3 GLU 21 2HB GLU 21 -1.843 29.889 6.603 189 HG2 GLU 21 1HG GLU 21 -0.748 30.813 4.917 190 HG3 GLU 21 2HG GLU 21 0.763 30.038 5.389 191 H ALA 22 H ALA 22 -1.723 28.924 9.526 192 HA ALA 22 HA ALA 22 -2.352 31.649 10.087 193 HB1 ALA 22 3HB ALA 22 -3.689 30.768 11.912 194 HB2 ALA 22 1HB ALA 22 -3.953 29.824 10.446 195 HB3 ALA 22 2HB ALA 22 -2.928 29.188 11.732 196 H ALA 23 H ALA 23 -0.080 29.328 11.372 197 HA ALA 23 HA ALA 23 0.538 30.830 13.736 198 HB1 ALA 23 3HB ALA 23 0.829 28.398 13.643 199 HB2 ALA 23 1HB ALA 23 2.085 28.600 12.421 200 HB3 ALA 23 2HB ALA 23 2.333 29.221 14.053 201 H LYS 24 H LYS 24 1.770 30.651 10.468 202 HA LYS 24 HA LYS 24 4.188 32.083 10.984 203 HB2 LYS 24 1HB LYS 24 3.541 30.519 8.985 204 HB3 LYS 24 2HB LYS 24 2.890 31.994 8.286 205 HG2 LYS 24 1HG LYS 24 5.349 32.832 9.055 206 HG3 LYS 24 2HG LYS 24 5.671 31.145 8.651 207 HD2 LYS 24 1HD LYS 24 4.336 31.651 6.493 208 HD3 LYS 24 2HD LYS 24 4.636 33.344 6.897 209 HE2 LYS 24 1HE LYS 24 6.750 33.221 6.200 210 HE3 LYS 24 2HE LYS 24 7.040 31.749 7.125 211 HZ1 LYS 24 3HZ LYS 24 5.831 30.563 5.275 212 HZ2 LYS 24 1HZ LYS 24 7.360 31.177 4.889 213 HZ3 LYS 24 2HZ LYS 24 5.968 31.991 4.377 214 H LEU 25 H LEU 25 0.920 32.954 10.090 215 HA LEU 25 HA LEU 25 1.501 35.643 9.348 216 HG LEU 25 HG LEU 25 -1.954 35.823 8.195 217 HB2 LEU 25 1HB LEU 25 -0.686 33.976 9.190 218 HB3 LEU 25 2HB LEU 25 -1.179 35.170 10.389 219 HD11 LEU 25 1HD1 LEU 25 -1.334 37.604 9.711 220 HD12 LEU 25 2HD1 LEU 25 -0.931 38.053 8.053 221 HD13 LEU 25 3HD1 LEU 25 0.339 37.526 9.157 222 HD21 LEU 25 3HD2 LEU 25 0.709 36.357 7.086 223 HD22 LEU 25 1HD2 LEU 25 -0.745 35.729 6.307 224 HD23 LEU 25 2HD2 LEU 25 0.298 34.647 7.230 225 H LEU 26 H LEU 26 0.733 34.029 12.355 226 HA LEU 26 HA LEU 26 0.291 36.465 13.821 227 HG LEU 26 HG LEU 26 0.778 35.442 16.675 228 HB2 LEU 26 1HB LEU 26 -0.715 34.215 14.359 229 HB3 LEU 26 2HB LEU 26 0.877 33.733 14.939 230 HD11 LEU 26 1HD1 LEU 26 -1.939 36.174 16.653 231 HD12 LEU 26 2HD1 LEU 26 -1.314 36.483 15.033 232 HD13 LEU 26 3HD1 LEU 26 -0.529 37.212 16.434 233 HD21 LEU 26 3HD2 LEU 26 -0.248 33.121 16.932 234 HD22 LEU 26 1HD2 LEU 26 -1.810 33.921 16.754 235 HD23 LEU 26 2HD2 LEU 26 -0.745 34.356 18.090 236 H GLU 27 H GLU 27 2.993 34.418 13.066 237 HA GLU 27 HA GLU 27 4.707 35.493 15.115 238 HB2 GLU 27 1HB GLU 27 4.952 33.504 12.933 239 HB3 GLU 27 2HB GLU 27 6.433 34.323 13.406 240 HG2 GLU 27 1HG GLU 27 4.612 32.736 15.200 241 HG3 GLU 27 2HG GLU 27 6.203 32.251 14.616 242 H GLY 28 H GLY 28 3.883 36.263 11.837 243 HA2 GLY 28 1HA GLY 28 4.285 38.557 11.120 244 HA3 GLY 28 2HA GLY 28 5.846 38.467 11.922 245 H GLY 29 H GLY 29 7.055 36.304 11.047 246 HA2 GLY 29 1HA GLY 29 6.727 35.707 8.293 247 HA3 GLY 29 2HA GLY 29 7.962 36.939 8.497 248 H GLY 30 H GLY 30 9.062 36.038 10.937 249 HA2 GLY 30 1HA GLY 30 10.543 33.723 9.922 250 HA3 GLY 30 2HA GLY 30 11.056 34.795 11.217 251 H GLY 31 H GLY 31 11.523 32.499 12.054 252 HA2 GLY 31 1HA GLY 31 9.466 31.901 13.996 253 HA3 GLY 31 2HA GLY 31 9.742 30.619 12.826 254 H GLY 32 H GLY 32 10.177 30.645 15.733 255 HA2 GLY 32 1HA GLY 32 12.590 29.216 15.827 256 HA3 GLY 32 2HA GLY 32 12.909 30.859 16.366 257 H GLY 33 H GLY 33 13.419 30.172 18.465 258 HA2 GLY 33 1HA GLY 33 11.296 28.853 19.994 259 HA3 GLY 33 2HA GLY 33 12.957 29.085 20.519 260 H GLY 34 H GLY 34 10.733 29.647 22.135 261 HA2 GLY 34 1HA GLY 34 10.508 31.363 23.741 262 HA3 GLY 34 2HA GLY 34 11.208 32.496 22.595 263 H GLY 35 H GLY 35 9.692 32.391 20.420 264 HA2 GLY 35 1HA GLY 35 7.450 33.902 21.019 265 HA3 GLY 35 2HA GLY 35 7.689 33.042 19.506 266 H GLU 36 H GLU 36 5.795 33.299 22.262 267 HA GLU 36 HA GLU 36 4.891 30.570 22.371 268 HB2 GLU 36 1HB GLU 36 4.807 31.813 24.408 269 HB3 GLU 36 2HB GLU 36 3.904 33.117 23.650 270 HG2 GLU 36 1HG GLU 36 2.432 31.827 25.035 271 HG3 GLU 36 2HG GLU 36 2.000 31.585 23.343 272 H LEU 37 H LEU 37 3.910 33.520 20.786 273 HA LEU 37 HA LEU 37 1.282 32.987 20.136 274 HG LEU 37 HG LEU 37 3.470 35.419 20.403 275 HB2 LEU 37 1HB LEU 37 3.297 34.238 18.279 276 HB3 LEU 37 2HB LEU 37 1.550 34.477 18.273 277 HD11 LEU 37 1HD1 LEU 37 2.035 36.805 18.160 278 HD12 LEU 37 2HD1 LEU 37 3.758 36.809 18.534 279 HD13 LEU 37 3HD1 LEU 37 2.627 37.670 19.578 280 HD21 LEU 37 3HD2 LEU 37 1.728 35.672 21.752 281 HD22 LEU 37 1HD2 LEU 37 0.702 34.872 20.561 282 HD23 LEU 37 2HD2 LEU 37 0.890 36.626 20.527 283 H MET 38 H MET 38 4.197 31.580 18.846 284 HA MET 38 HA MET 38 2.956 30.400 16.549 285 HB2 MET 38 1HB MET 38 5.319 30.849 16.478 286 HB3 MET 38 2HB MET 38 5.596 29.877 17.917 287 HG2 MET 38 1HG MET 38 5.889 28.070 16.686 288 HG3 MET 38 2HG MET 38 4.295 28.270 15.961 289 HE1 MET 38 3HE MET 38 8.232 28.351 14.844 290 HE2 MET 38 1HE MET 38 8.207 30.082 14.509 291 HE3 MET 38 2HE MET 38 7.795 29.491 16.118 292 H LYS 39 H LYS 39 3.672 29.379 19.834 293 HA LYS 39 HA LYS 39 3.025 26.633 19.438 294 HB2 LYS 39 1HB LYS 39 4.440 27.552 21.306 295 HB3 LYS 39 2HB LYS 39 2.965 28.174 22.035 296 HG2 LYS 39 1HG LYS 39 2.822 26.238 23.105 297 HG3 LYS 39 2HG LYS 39 2.390 25.514 21.554 298 HD2 LYS 39 1HD LYS 39 5.107 25.604 21.379 299 HD3 LYS 39 2HD LYS 39 4.876 25.321 23.105 300 HE2 LYS 39 1HE LYS 39 3.309 23.448 22.458 301 HE3 LYS 39 2HE LYS 39 3.882 23.654 20.804 302 HZ1 LYS 39 3HZ LYS 39 5.761 22.583 21.263 303 HZ2 LYS 39 1HZ LYS 39 5.023 22.072 22.696 304 HZ3 LYS 39 2HZ LYS 39 6.019 23.438 22.699 305 H LEU 40 H LEU 40 1.203 29.491 20.313 306 HA LEU 40 HA LEU 40 -1.104 28.321 21.338 307 HG LEU 40 HG LEU 40 -0.706 30.328 22.640 308 HB2 LEU 40 1HB LEU 40 -0.397 30.888 20.088 309 HB3 LEU 40 2HB LEU 40 -2.104 30.459 20.008 310 HD11 LEU 40 1HD1 LEU 40 -0.025 32.462 22.305 311 HD12 LEU 40 2HD1 LEU 40 -1.690 32.802 22.771 312 HD13 LEU 40 3HD1 LEU 40 -1.240 32.776 21.067 313 HD21 LEU 40 3HD2 LEU 40 -3.248 29.807 21.837 314 HD22 LEU 40 1HD2 LEU 40 -3.385 31.489 22.351 315 HD23 LEU 40 2HD2 LEU 40 -2.788 30.269 23.477 316 H CYS 41 H CYS 41 -0.379 29.219 17.969 317 HA CYS 41 HA CYS 41 -2.792 28.042 16.969 318 HG CYS 41 HG CYS 41 -0.924 31.377 15.084 319 HB2 CYS 41 1HB CYS 41 -0.322 28.827 15.413 320 HB3 CYS 41 2HB CYS 41 -1.946 28.603 14.776 321 H GLU 42 H GLU 42 0.511 26.997 17.417 322 HA GLU 42 HA GLU 42 0.480 24.744 15.734 323 HB2 GLU 42 1HB GLU 42 2.514 25.770 16.779 324 HB3 GLU 42 2HB GLU 42 2.026 25.057 18.310 325 HG2 GLU 42 1HG GLU 42 3.109 23.212 17.768 326 HG3 GLU 42 2HG GLU 42 2.005 22.981 16.414 327 H GLU 43 H GLU 43 -0.734 25.280 18.961 328 HA GLU 43 HA GLU 43 -0.989 22.669 19.875 329 HB2 GLU 43 1HB GLU 43 -1.924 25.239 20.647 330 HB3 GLU 43 2HB GLU 43 -3.303 24.150 20.661 331 HG2 GLU 43 1HG GLU 43 -1.764 22.576 21.998 332 HG3 GLU 43 2HG GLU 43 -0.783 24.017 22.262 333 H ALA 44 H ALA 44 -3.291 24.597 17.969 334 HA ALA 44 HA ALA 44 -5.325 22.691 17.794 335 HB1 ALA 44 3HB ALA 44 -6.321 24.081 16.266 336 HB2 ALA 44 1HB ALA 44 -5.212 25.205 17.053 337 HB3 ALA 44 2HB ALA 44 -4.795 24.502 15.489 338 H ALA 45 H ALA 45 -2.474 23.205 15.768 339 HA ALA 45 HA ALA 45 -3.163 21.228 13.835 340 HB1 ALA 45 3HB ALA 45 -0.361 21.587 13.864 341 HB2 ALA 45 1HB ALA 45 -1.540 22.267 12.742 342 HB3 ALA 45 2HB ALA 45 -1.096 23.154 14.200 343 H LYS 46 H LYS 46 -1.585 21.168 16.923 344 HA LYS 46 HA LYS 46 -0.177 18.739 16.661 345 HB2 LYS 46 1HB LYS 46 -0.448 20.664 18.618 346 HB3 LYS 46 2HB LYS 46 -1.242 19.269 19.336 347 HG2 LYS 46 1HG LYS 46 1.451 18.958 18.090 348 HG3 LYS 46 2HG LYS 46 1.299 19.657 19.704 349 HD2 LYS 46 1HD LYS 46 -0.344 17.339 19.581 350 HD3 LYS 46 2HD LYS 46 1.250 16.920 18.946 351 HE2 LYS 46 1HE LYS 46 2.312 17.730 20.951 352 HE3 LYS 46 2HE LYS 46 0.772 18.329 21.569 353 HZ1 LYS 46 3HZ LYS 46 0.145 15.795 21.203 354 HZ2 LYS 46 1HZ LYS 46 0.834 16.357 22.642 355 HZ3 LYS 46 2HZ LYS 46 1.803 15.606 21.478 356 H LYS 47 H LYS 47 -3.483 19.481 17.637 357 HA LYS 47 HA LYS 47 -4.225 16.945 18.562 358 HB2 LYS 47 1HB LYS 47 -5.847 19.139 17.269 359 HB3 LYS 47 2HB LYS 47 -6.565 17.688 17.955 360 HG2 LYS 47 1HG LYS 47 -4.885 19.668 19.480 361 HG3 LYS 47 2HG LYS 47 -6.650 19.614 19.479 362 HD2 LYS 47 1HD LYS 47 -6.497 18.217 21.210 363 HD3 LYS 47 2HD LYS 47 -5.880 17.012 20.076 364 HE2 LYS 47 1HE LYS 47 -3.603 18.271 20.524 365 HE3 LYS 47 2HE LYS 47 -4.417 18.730 22.019 366 HZ1 LYS 47 3HZ LYS 47 -3.270 16.751 22.484 367 HZ2 LYS 47 1HZ LYS 47 -3.784 16.003 21.055 368 HZ3 LYS 47 2HZ LYS 47 -4.887 16.285 22.305 369 H ALA 48 H ALA 48 -4.297 18.335 15.308 370 HA ALA 48 HA ALA 48 -5.631 16.258 14.000 371 HB1 ALA 48 3HB ALA 48 -3.940 18.520 13.216 372 HB2 ALA 48 1HB ALA 48 -3.927 17.167 12.084 373 HB3 ALA 48 2HB ALA 48 -5.454 17.937 12.523 374 H GLU 49 H GLU 49 -2.271 16.595 14.954 375 HA GLU 49 HA GLU 49 -1.292 14.400 13.431 376 HB2 GLU 49 1HB GLU 49 -0.005 16.371 14.556 377 HB3 GLU 49 2HB GLU 49 -0.005 15.332 15.974 378 HG2 GLU 49 1HG GLU 49 1.376 13.771 15.004 379 HG3 GLU 49 2HG GLU 49 0.937 14.246 13.364 380 H GLU 50 H GLU 50 -2.682 14.746 16.627 381 HA GLU 50 HA GLU 50 -2.006 12.068 17.446 382 HB2 GLU 50 1HB GLU 50 -2.448 14.206 18.906 383 HB3 GLU 50 2HB GLU 50 -4.128 13.699 18.785 384 HG2 GLU 50 1HG GLU 50 -3.433 11.469 19.670 385 HG3 GLU 50 2HG GLU 50 -1.836 12.155 19.964 386 H LEU 51 H LEU 51 -4.729 13.691 15.978 387 HA LEU 51 HA LEU 51 -6.613 11.593 16.392 388 HG LEU 51 HG LEU 51 -9.038 14.112 15.410 389 HB2 LEU 51 1HB LEU 51 -6.626 14.209 15.339 390 HB3 LEU 51 2HB LEU 51 -7.227 13.145 14.068 391 HD11 LEU 51 1HD1 LEU 51 -8.763 11.150 15.887 392 HD12 LEU 51 2HD1 LEU 51 -9.251 11.876 14.357 393 HD13 LEU 51 3HD1 LEU 51 -10.257 12.081 15.790 394 HD21 LEU 51 3HD2 LEU 51 -7.580 14.126 17.527 395 HD22 LEU 51 1HD2 LEU 51 -8.108 12.456 17.730 396 HD23 LEU 51 2HD2 LEU 51 -9.297 13.758 17.699 397 H PHE 52 H PHE 52 -4.206 12.295 13.971 398 HA PHE 52 HA PHE 52 -5.113 10.722 11.862 399 HD1 PHE 52 HD1 PHE 52 -3.277 13.621 10.721 400 HD2 PHE 52 HD2 PHE 52 -3.040 9.438 9.968 401 HE1 PHE 52 HE1 PHE 52 -3.451 14.050 8.304 402 HE2 PHE 52 HE2 PHE 52 -3.212 9.860 7.550 403 HZ PHE 52 HZ PHE 52 -3.418 12.168 6.716 404 HB2 PHE 52 1HB PHE 52 -2.791 12.174 12.467 405 HB3 PHE 52 2HB PHE 52 -2.241 10.533 12.141 406 H LYS 53 H LYS 53 -3.479 9.832 14.827 407 HA LYS 53 HA LYS 53 -2.724 7.216 14.130 408 HB2 LYS 53 1HB LYS 53 -2.755 8.844 16.486 409 HB3 LYS 53 2HB LYS 53 -3.407 7.260 16.883 410 HG2 LYS 53 1HG LYS 53 -1.236 6.551 15.443 411 HG3 LYS 53 2HG LYS 53 -0.671 8.057 16.170 412 HD2 LYS 53 1HD LYS 53 -0.077 6.529 17.787 413 HD3 LYS 53 2HD LYS 53 -1.670 7.029 18.359 414 HE2 LYS 53 1HE LYS 53 -2.673 5.051 17.684 415 HE3 LYS 53 2HE LYS 53 -1.401 4.686 16.520 416 HZ1 LYS 53 3HZ LYS 53 -0.114 3.737 18.087 417 HZ2 LYS 53 1HZ LYS 53 -1.589 3.506 18.884 418 HZ3 LYS 53 2HZ LYS 53 -0.592 4.805 19.309 419 H LEU 54 H LEU 54 -5.641 8.423 15.772 420 HA LEU 54 HA LEU 54 -6.877 5.885 16.000 421 HG LEU 54 HG LEU 54 -8.587 5.876 17.436 422 HB2 LEU 54 1HB LEU 54 -7.358 8.244 17.121 423 HB3 LEU 54 2HB LEU 54 -8.529 8.346 15.808 424 HD11 LEU 54 1HD1 LEU 54 -8.358 7.240 19.292 425 HD12 LEU 54 2HD1 LEU 54 -10.105 7.190 19.064 426 HD13 LEU 54 3HD1 LEU 54 -9.186 8.597 18.527 427 HD21 LEU 54 3HD2 LEU 54 -10.534 5.712 16.387 428 HD22 LEU 54 1HD2 LEU 54 -10.233 7.258 15.592 429 HD23 LEU 54 2HD2 LEU 54 -11.082 7.212 17.138 430 H ALA 55 H ALA 55 -7.159 8.501 13.629 431 HA ALA 55 HA ALA 55 -9.244 7.487 12.095 432 HB1 ALA 55 3HB ALA 55 -7.482 9.636 11.927 433 HB2 ALA 55 1HB ALA 55 -7.241 8.731 10.432 434 HB3 ALA 55 2HB ALA 55 -8.852 9.300 10.870 435 H GLU 56 H GLU 56 -5.951 6.448 12.341 436 HA GLU 56 HA GLU 56 -5.641 5.138 9.887 437 HB2 GLU 56 1HB GLU 56 -3.841 5.581 11.586 438 HB3 GLU 56 2HB GLU 56 -4.487 4.248 12.532 439 HG2 GLU 56 1HG GLU 56 -2.734 3.285 11.374 440 HG3 GLU 56 2HG GLU 56 -4.145 2.843 10.413 441 H GLU 57 H GLU 57 -6.948 3.982 12.974 442 HA GLU 57 HA GLU 57 -7.485 1.350 11.964 443 HB2 GLU 57 1HB GLU 57 -8.522 2.690 14.467 444 HB3 GLU 57 2HB GLU 57 -8.585 0.970 14.111 445 HG2 GLU 57 1HG GLU 57 -6.086 0.981 14.035 446 HG3 GLU 57 2HG GLU 57 -6.141 2.641 14.625 447 H ARG 58 H ARG 58 -9.181 4.365 12.114 448 HA ARG 58 HA ARG 58 -11.817 3.348 11.832 449 HE ARG 58 HE ARG 58 -13.871 3.599 13.514 450 HB2 ARG 58 1HB ARG 58 -10.574 6.039 11.294 451 HB3 ARG 58 2HB ARG 58 -12.274 5.719 10.976 452 HG2 ARG 58 1HG ARG 58 -11.212 5.044 13.663 453 HG3 ARG 58 2HG ARG 58 -11.447 6.746 13.261 454 HD2 ARG 58 1HD ARG 58 -13.565 6.437 13.899 455 HD3 ARG 58 2HD ARG 58 -13.769 5.587 12.368 456 HH11 ARG 58 1HH1 ARG 58 -12.746 6.117 15.639 457 HH12 ARG 58 2HH1 ARG 58 -12.869 5.146 17.069 458 HH21 ARG 58 2HH2 ARG 58 -13.603 2.980 16.926 459 HH22 ARG 58 1HH2 ARG 58 -14.037 2.310 15.390 460 H LEU 59 H LEU 59 -9.274 4.191 9.571 461 HA LEU 59 HA LEU 59 -11.049 3.638 7.307 462 HG LEU 59 HG LEU 59 -9.374 6.743 6.207 463 HB2 LEU 59 1HB LEU 59 -8.466 5.069 7.648 464 HB3 LEU 59 2HB LEU 59 -8.808 4.331 6.085 465 HD11 LEU 59 1HD1 LEU 59 -12.036 5.720 5.818 466 HD12 LEU 59 2HD1 LEU 59 -10.839 4.638 5.108 467 HD13 LEU 59 3HD1 LEU 59 -10.884 6.336 4.633 468 HD21 LEU 59 3HD2 LEU 59 -11.784 6.120 7.821 469 HD22 LEU 59 1HD2 LEU 59 -10.879 7.626 7.667 470 HD23 LEU 59 2HD2 LEU 59 -10.255 6.322 8.676 471 H LYS 60 H LYS 60 -8.393 2.331 9.094 472 HA LYS 60 HA LYS 60 -7.303 0.337 8.998 473 HB2 LYS 60 1HB LYS 60 -9.887 -0.159 7.729 474 HB3 LYS 60 2HB LYS 60 -8.627 -1.242 7.151 475 HG2 LYS 60 1HG LYS 60 -8.333 -2.221 9.211 476 HG3 LYS 60 2HG LYS 60 -8.963 -0.822 10.083 477 HD2 LYS 60 1HD LYS 60 -10.858 -2.173 8.268 478 HD3 LYS 60 2HD LYS 60 -10.356 -3.097 9.687 479 HE2 LYS 60 1HE LYS 60 -11.658 -1.876 11.014 480 HE3 LYS 60 2HE LYS 60 -10.948 -0.378 10.415 481 HZ1 LYS 60 3HZ LYS 60 -12.522 -0.248 8.700 482 HZ2 LYS 60 1HZ LYS 60 -13.414 -0.672 10.073 483 HZ3 LYS 60 2HZ LYS 60 -13.035 -1.844 8.915 484 H LYS 61 H LYS 61 -6.002 -1.070 7.571 485 HA LYS 61 HA LYS 61 -4.561 0.425 5.689 486 HB2 LYS 61 1HB LYS 61 -4.667 -2.587 5.926 487 HB3 LYS 61 2HB LYS 61 -3.385 -1.640 5.183 488 HG2 LYS 61 1HG LYS 61 -2.755 -0.718 7.304 489 HG3 LYS 61 2HG LYS 61 -4.142 -1.475 8.092 490 HD2 LYS 61 1HD LYS 61 -3.241 -3.670 7.676 491 HD3 LYS 61 2HD LYS 61 -1.923 -2.991 6.719 492 HE2 LYS 61 1HE LYS 61 -1.069 -1.846 8.702 493 HE3 LYS 61 2HE LYS 61 -2.397 -2.503 9.659 494 HZ1 LYS 61 3HZ LYS 61 0.033 -3.649 9.366 495 HZ2 LYS 61 1HZ LYS 61 -0.897 -4.506 8.242 496 HZ3 LYS 61 2HZ LYS 61 -1.368 -4.457 9.865 497 H LEU 62 H LEU 62 -5.134 1.025 3.716 498 HA LEU 62 HA LEU 62 -6.202 1.124 1.706 499 HG LEU 62 HG LEU 62 -5.155 0.302 -0.312 500 HB2 LEU 62 1HB LEU 62 -5.190 -1.603 2.024 501 HB3 LEU 62 2HB LEU 62 -6.496 -1.459 0.849 502 HD11 LEU 62 1HD1 LEU 62 -3.736 1.050 1.459 503 HD12 LEU 62 2HD1 LEU 62 -2.719 0.340 0.206 504 HD13 LEU 62 3HD1 LEU 62 -3.067 -0.567 1.678 505 HD21 LEU 62 3HD2 LEU 62 -5.043 -2.410 -0.526 506 HD22 LEU 62 1HD2 LEU 62 -3.340 -1.999 -0.320 507 HD23 LEU 62 2HD2 LEU 62 -4.269 -1.278 -1.635 508 HA MET 1 HA MET 1 -6.972 48.338 8.507 509 H1 MET 1 1H MET 1 -8.403 49.910 9.425 510 HB2 MET 1 1HB MET 1 -5.448 50.158 10.314 511 HB3 MET 1 2HB MET 1 -4.587 48.829 9.550 512 HG2 MET 1 1HG MET 1 -5.022 49.644 7.391 513 HG3 MET 1 2HG MET 1 -6.250 50.764 7.978 514 HE1 MET 1 3HE MET 1 -5.986 52.766 7.609 515 HE2 MET 1 1HE MET 1 -5.202 53.584 8.960 516 HE3 MET 1 2HE MET 1 -4.514 53.700 7.340 517 H LYS 2 H LYS 2 -6.007 46.339 8.712 518 HA LYS 2 HA LYS 2 -6.766 44.727 10.860 519 HB2 LYS 2 1HB LYS 2 -4.550 44.271 8.853 520 HB3 LYS 2 2HB LYS 2 -5.247 43.035 9.891 521 HG2 LYS 2 1HG LYS 2 -7.461 44.053 8.663 522 HG3 LYS 2 2HG LYS 2 -6.240 44.173 7.392 523 HD2 LYS 2 1HD LYS 2 -6.685 42.023 6.973 524 HD3 LYS 2 2HD LYS 2 -5.793 41.671 8.455 525 HE2 LYS 2 1HE LYS 2 -7.727 40.600 8.969 526 HE3 LYS 2 2HE LYS 2 -8.170 42.211 9.531 527 HZ1 LYS 2 3HZ LYS 2 -9.254 40.673 7.369 528 HZ2 LYS 2 1HZ LYS 2 -8.838 42.245 6.899 529 HZ3 LYS 2 2HZ LYS 2 -9.911 42.002 8.183 530 H LYS 3 H LYS 3 -5.692 43.907 12.634 531 HA LYS 3 HA LYS 3 -3.197 45.297 13.357 532 HB2 LYS 3 1HB LYS 3 -5.644 45.205 14.717 533 HB3 LYS 3 2HB LYS 3 -4.587 44.116 15.606 534 HG2 LYS 3 1HG LYS 3 -4.447 46.313 16.558 535 HG3 LYS 3 2HG LYS 3 -2.917 45.928 15.768 536 HD2 LYS 3 1HD LYS 3 -3.324 48.108 15.077 537 HD3 LYS 3 2HD LYS 3 -3.936 47.149 13.728 538 HE2 LYS 3 1HE LYS 3 -5.994 47.952 14.002 539 HE3 LYS 3 2HE LYS 3 -5.982 47.547 15.718 540 HZ1 LYS 3 3HZ LYS 3 -5.041 50.042 14.432 541 HZ2 LYS 3 1HZ LYS 3 -4.639 49.637 16.024 542 HZ3 LYS 3 2HZ LYS 3 -6.258 49.862 15.592 543 H LEU 4 H LEU 4 -3.561 42.746 11.877 544 HA LEU 4 HA LEU 4 -2.429 40.772 11.734 545 HG LEU 4 HG LEU 4 -0.864 43.029 12.197 546 HB2 LEU 4 1HB LEU 4 -1.223 41.290 14.430 547 HB3 LEU 4 2HB LEU 4 -0.563 40.357 13.089 548 HD11 LEU 4 1HD1 LEU 4 0.021 42.775 15.011 549 HD12 LEU 4 2HD1 LEU 4 -0.781 44.112 14.187 550 HD13 LEU 4 3HD1 LEU 4 0.948 43.851 13.964 551 HD21 LEU 4 3HD2 LEU 4 1.367 41.125 12.743 552 HD22 LEU 4 1HD2 LEU 4 1.736 42.802 12.343 553 HD23 LEU 4 2HD2 LEU 4 0.817 41.808 11.211 554 H ARG 5 H ARG 5 -2.952 41.113 15.246 555 HA ARG 5 HA ARG 5 -3.703 38.497 15.735 556 HE ARG 5 HE ARG 5 0.119 40.444 18.206 557 HB2 ARG 5 1HB ARG 5 -4.366 41.079 17.125 558 HB3 ARG 5 2HB ARG 5 -4.999 39.546 17.711 559 HG2 ARG 5 1HG ARG 5 -3.102 39.788 18.980 560 HG3 ARG 5 2HG ARG 5 -2.511 38.798 17.644 561 HD2 ARG 5 1HD ARG 5 -1.485 40.658 16.601 562 HD3 ARG 5 2HD ARG 5 -2.325 41.800 17.649 563 HH11 ARG 5 1HH1 ARG 5 -2.763 41.732 19.675 564 HH12 ARG 5 2HH1 ARG 5 -2.017 41.993 21.217 565 HH21 ARG 5 2HH2 ARG 5 0.188 41.454 21.532 566 HH22 ARG 5 1HH2 ARG 5 1.113 40.784 20.230 567 H GLU 6 H GLU 6 -5.571 41.131 14.426 568 HA GLU 6 HA GLU 6 -8.144 40.018 14.832 569 HB2 GLU 6 1HB GLU 6 -7.250 41.948 12.684 570 HB3 GLU 6 2HB GLU 6 -8.907 41.654 13.190 571 HG2 GLU 6 1HG GLU 6 -7.891 42.345 15.547 572 HG3 GLU 6 2HG GLU 6 -6.767 43.215 14.505 573 H GLU 7 H GLU 7 -5.820 39.830 12.175 574 HA GLU 7 HA GLU 7 -7.553 38.323 10.469 575 HB2 GLU 7 1HB GLU 7 -5.228 39.731 10.097 576 HB3 GLU 7 2HB GLU 7 -4.668 38.068 9.993 577 HG2 GLU 7 1HG GLU 7 -7.052 38.313 8.466 578 HG3 GLU 7 2HG GLU 7 -5.957 39.618 8.018 579 H ALA 8 H ALA 8 -4.831 37.529 12.595 580 HA ALA 8 HA ALA 8 -4.617 34.813 12.009 581 HB1 ALA 8 3HB ALA 8 -4.070 36.286 14.580 582 HB2 ALA 8 1HB ALA 8 -3.609 34.610 14.279 583 HB3 ALA 8 2HB ALA 8 -2.920 35.904 13.298 584 H ALA 9 H ALA 9 -6.667 36.474 14.375 585 HA ALA 9 HA ALA 9 -7.744 34.235 15.640 586 HB1 ALA 9 3HB ALA 9 -8.878 36.979 15.162 587 HB2 ALA 9 1HB ALA 9 -9.696 35.758 16.136 588 HB3 ALA 9 2HB ALA 9 -8.109 36.355 16.621 589 H LYS 10 H LYS 10 -8.635 35.814 12.627 590 HA LYS 10 HA LYS 10 -11.053 34.353 12.241 591 HB2 LYS 10 1HB LYS 10 -9.308 35.897 10.317 592 HB3 LYS 10 2HB LYS 10 -10.861 35.193 9.883 593 HG2 LYS 10 1HG LYS 10 -10.474 37.235 12.059 594 HG3 LYS 10 2HG LYS 10 -10.958 37.613 10.405 595 HD2 LYS 10 1HD LYS 10 -12.708 35.610 11.166 596 HD3 LYS 10 2HD LYS 10 -12.536 36.593 12.621 597 HE2 LYS 10 1HE LYS 10 -14.227 37.731 11.597 598 HE3 LYS 10 2HE LYS 10 -12.845 38.566 10.887 599 HZ1 LYS 10 3HZ LYS 10 -13.986 36.210 9.541 600 HZ2 LYS 10 1HZ LYS 10 -13.125 37.505 8.879 601 HZ3 LYS 10 2HZ LYS 10 -14.730 37.718 9.368 602 H LEU 11 H LEU 11 -7.695 33.842 11.394 603 HA LEU 11 HA LEU 11 -7.925 31.893 9.439 604 HG LEU 11 HG LEU 11 -4.299 31.929 9.495 605 HB2 LEU 11 1HB LEU 11 -5.889 32.920 11.132 606 HB3 LEU 11 2HB LEU 11 -5.800 31.160 11.178 607 HD11 LEU 11 1HD1 LEU 11 -6.565 31.132 7.758 608 HD12 LEU 11 2HD1 LEU 11 -6.097 30.027 9.050 609 HD13 LEU 11 3HD1 LEU 11 -4.916 30.509 7.834 610 HD21 LEU 11 3HD2 LEU 11 -6.530 33.295 8.030 611 HD22 LEU 11 1HD2 LEU 11 -4.788 33.470 7.818 612 HD23 LEU 11 2HD2 LEU 11 -5.575 34.147 9.244 613 H PHE 12 H PHE 12 -8.379 31.656 12.895 614 HA PHE 12 HA PHE 12 -8.211 28.897 13.239 615 HD1 PHE 12 HD1 PHE 12 -6.879 31.283 14.362 616 HD2 PHE 12 HD2 PHE 12 -9.038 28.719 16.986 617 HE1 PHE 12 HE1 PHE 12 -4.923 31.163 15.851 618 HE2 PHE 12 HE2 PHE 12 -7.087 28.597 18.479 619 HZ PHE 12 HZ PHE 12 -5.026 29.821 17.914 620 HB2 PHE 12 1HB PHE 12 -9.635 31.103 14.661 621 HB3 PHE 12 2HB PHE 12 -10.051 29.441 15.069 622 H GLU 13 H GLU 13 -10.812 30.888 11.984 623 HA GLU 13 HA GLU 13 -12.794 28.838 12.011 624 HB2 GLU 13 1HB GLU 13 -12.835 31.549 11.636 625 HB3 GLU 13 2HB GLU 13 -13.099 30.960 10.001 626 HG2 GLU 13 1HG GLU 13 -14.909 29.472 11.049 627 HG3 GLU 13 2HG GLU 13 -14.781 30.548 12.440 628 H GLU 14 H GLU 14 -10.349 29.881 9.739 629 HA GLU 14 HA GLU 14 -11.250 28.748 7.385 630 HB2 GLU 14 1HB GLU 14 -8.879 29.910 8.283 631 HB3 GLU 14 2HB GLU 14 -8.405 28.306 7.741 632 HG2 GLU 14 1HG GLU 14 -8.158 29.545 5.827 633 HG3 GLU 14 2HG GLU 14 -9.784 28.891 5.625 634 H TRP 15 H TRP 15 -9.570 27.217 10.087 635 HA TRP 15 HA TRP 15 -9.068 24.728 8.941 636 HD1 TRP 15 HD1 TRP 15 -7.011 25.828 9.286 637 HE1 TRP 15 HE1 TRP 15 -5.138 27.171 10.431 638 HE3 TRP 15 HE3 TRP 15 -8.760 25.725 14.089 639 HZ2 TRP 15 HZ2 TRP 15 -4.488 28.068 13.028 640 HZ3 TRP 15 HZ3 TRP 15 -7.453 26.849 15.845 641 HH2 TRP 15 HH2 TRP 15 -5.360 27.996 15.323 642 HB2 TRP 15 1HB TRP 15 -9.809 25.223 11.831 643 HB3 TRP 15 2HB TRP 15 -8.858 23.885 11.193 644 H LYS 16 H LYS 16 -11.890 25.789 10.835 645 HA LYS 16 HA LYS 16 -13.308 23.357 10.609 646 HB2 LYS 16 1HB LYS 16 -13.894 24.928 12.337 647 HB3 LYS 16 2HB LYS 16 -14.247 26.177 11.150 648 HG2 LYS 16 1HG LYS 16 -15.788 23.670 10.913 649 HG3 LYS 16 2HG LYS 16 -16.128 24.680 12.321 650 HD2 LYS 16 1HD LYS 16 -15.963 26.406 10.095 651 HD3 LYS 16 2HD LYS 16 -16.957 25.032 9.604 652 HE2 LYS 16 1HE LYS 16 -17.373 26.699 12.083 653 HE3 LYS 16 2HE LYS 16 -18.290 26.853 10.586 654 HZ1 LYS 16 3HZ LYS 16 -18.154 24.328 12.130 655 HZ2 LYS 16 1HZ LYS 16 -19.225 24.727 10.881 656 HZ3 LYS 16 2HZ LYS 16 -19.355 25.493 12.383 657 H LYS 17 H LYS 17 -12.921 26.065 8.483 658 HA LYS 17 HA LYS 17 -15.201 25.786 6.883 659 HB2 LYS 17 1HB LYS 17 -13.056 27.476 6.917 660 HB3 LYS 17 2HB LYS 17 -12.728 26.533 5.468 661 HG2 LYS 17 1HG LYS 17 -13.970 28.199 4.558 662 HG3 LYS 17 2HG LYS 17 -15.267 27.075 4.973 663 HD2 LYS 17 1HD LYS 17 -15.439 28.319 7.179 664 HD3 LYS 17 2HD LYS 17 -14.396 29.545 6.456 665 HE2 LYS 17 1HE LYS 17 -16.095 30.422 5.312 666 HE3 LYS 17 2HE LYS 17 -16.568 28.844 4.687 667 HZ1 LYS 17 3HZ LYS 17 -17.230 29.505 7.465 668 HZ2 LYS 17 1HZ LYS 17 -18.057 28.519 6.366 669 HZ3 LYS 17 2HZ LYS 17 -18.154 30.203 6.231 670 H LEU 18 H LEU 18 -11.953 24.386 6.484 671 HA LEU 18 HA LEU 18 -12.712 22.841 4.198 672 HG LEU 18 HG LEU 18 -9.124 22.839 3.614 673 HB2 LEU 18 1HB LEU 18 -10.306 23.438 5.658 674 HB3 LEU 18 2HB LEU 18 -10.415 21.709 5.336 675 HD11 LEU 18 1HD1 LEU 18 -10.845 20.926 3.170 676 HD12 LEU 18 2HD1 LEU 18 -10.052 21.742 1.822 677 HD13 LEU 18 3HD1 LEU 18 -11.701 22.177 2.267 678 HD21 LEU 18 3HD2 LEU 18 -9.719 24.750 2.602 679 HD22 LEU 18 1HD2 LEU 18 -10.831 24.932 3.959 680 HD23 LEU 18 2HD2 LEU 18 -11.404 24.254 2.436 681 H ALA 19 H ALA 19 -12.616 22.323 7.644 682 HA ALA 19 HA ALA 19 -12.702 19.516 7.687 683 HB1 ALA 19 3HB ALA 19 -14.227 20.549 9.856 684 HB2 ALA 19 1HB ALA 19 -12.587 19.900 9.867 685 HB3 ALA 19 2HB ALA 19 -12.854 21.619 9.573 686 H GLU 20 H GLU 20 -15.299 21.930 7.586 687 HA GLU 20 HA GLU 20 -17.429 20.070 7.731 688 HB2 GLU 20 1HB GLU 20 -17.158 22.947 7.006 689 HB3 GLU 20 2HB GLU 20 -18.630 22.115 6.528 690 HG2 GLU 20 1HG GLU 20 -18.397 21.356 9.128 691 HG3 GLU 20 2HG GLU 20 -17.731 22.987 9.169 692 H GLU 21 H GLU 21 -15.674 21.529 5.041 693 HA GLU 21 HA GLU 21 -17.359 20.456 3.009 694 HB2 GLU 21 1HB GLU 21 -15.537 22.410 2.997 695 HB3 GLU 21 2HB GLU 21 -14.518 21.103 2.411 696 HG2 GLU 21 1HG GLU 21 -16.279 20.675 0.659 697 HG3 GLU 21 2HG GLU 21 -17.020 22.193 1.163 698 H ALA 22 H ALA 22 -14.539 19.319 4.723 699 HA ALA 22 HA ALA 22 -13.952 17.165 2.933 700 HB1 ALA 22 3HB ALA 22 -12.416 18.338 4.674 701 HB2 ALA 22 1HB ALA 22 -13.107 17.168 5.799 702 HB3 ALA 22 2HB ALA 22 -12.234 16.609 4.372 703 H ALA 23 H ALA 23 -15.966 17.586 5.759 704 HA ALA 23 HA ALA 23 -16.373 14.948 6.524 705 HB1 ALA 23 3HB ALA 23 -18.691 16.811 6.562 706 HB2 ALA 23 1HB ALA 23 -18.096 15.719 7.813 707 HB3 ALA 23 2HB ALA 23 -17.255 17.236 7.493 708 H LYS 24 H LYS 24 -17.720 16.749 3.841 709 HA LYS 24 HA LYS 24 -19.790 14.919 3.193 710 HB2 LYS 24 1HB LYS 24 -18.373 16.822 1.322 711 HB3 LYS 24 2HB LYS 24 -19.973 16.126 1.109 712 HG2 LYS 24 1HG LYS 24 -19.257 17.943 3.394 713 HG3 LYS 24 2HG LYS 24 -19.921 18.515 1.862 714 HD2 LYS 24 1HD LYS 24 -21.686 16.559 2.464 715 HD3 LYS 24 2HD LYS 24 -21.230 17.088 4.085 716 HE2 LYS 24 1HE LYS 24 -22.387 18.986 3.887 717 HE3 LYS 24 2HE LYS 24 -21.700 19.324 2.299 718 HZ1 LYS 24 3HZ LYS 24 -24.273 18.355 2.944 719 HZ2 LYS 24 1HZ LYS 24 -23.478 17.227 1.964 720 HZ3 LYS 24 2HZ LYS 24 -23.661 18.823 1.437 721 H LEU 25 H LEU 25 -16.413 15.209 2.254 722 HA LEU 25 HA LEU 25 -16.473 13.283 0.178 723 HG LEU 25 HG LEU 25 -14.985 15.116 -0.848 724 HB2 LEU 25 1HB LEU 25 -14.494 14.866 1.576 725 HB3 LEU 25 2HB LEU 25 -13.907 13.236 1.251 726 HD11 LEU 25 1HD1 LEU 25 -12.775 15.706 0.380 727 HD12 LEU 25 2HD1 LEU 25 -12.832 15.748 -1.382 728 HD13 LEU 25 3HD1 LEU 25 -12.107 14.368 -0.557 729 HD21 LEU 25 3HD2 LEU 25 -14.367 12.308 -0.825 730 HD22 LEU 25 1HD2 LEU 25 -13.309 13.165 -1.945 731 HD23 LEU 25 2HD2 LEU 25 -15.059 13.293 -2.114 732 H LEU 26 H LEU 26 -16.001 13.079 3.649 733 HA LEU 26 HA LEU 26 -15.077 10.404 3.721 734 HG LEU 26 HG LEU 26 -13.589 11.415 5.103 735 HB2 LEU 26 1HB LEU 26 -16.202 12.325 5.694 736 HB3 LEU 26 2HB LEU 26 -16.133 10.619 6.133 737 HD11 LEU 26 1HD1 LEU 26 -14.687 13.654 6.006 738 HD12 LEU 26 2HD1 LEU 26 -12.986 13.270 6.271 739 HD13 LEU 26 3HD1 LEU 26 -14.163 12.986 7.553 740 HD21 LEU 26 3HD2 LEU 26 -12.978 10.844 7.531 741 HD22 LEU 26 1HD2 LEU 26 -13.692 9.576 6.534 742 HD23 LEU 26 2HD2 LEU 26 -14.683 10.431 7.717 743 H GLU 27 H GLU 27 -18.296 11.853 3.998 744 HA GLU 27 HA GLU 27 -19.492 9.181 4.069 745 HB2 GLU 27 1HB GLU 27 -21.529 10.243 4.755 746 HB3 GLU 27 2HB GLU 27 -20.220 10.915 5.718 747 HG2 GLU 27 1HG GLU 27 -20.895 12.934 5.138 748 HG3 GLU 27 2HG GLU 27 -20.436 12.571 3.474 749 H GLY 28 H GLY 28 -18.280 10.680 1.686 750 HA2 GLY 28 1HA GLY 28 -20.330 11.390 -0.101 751 HA3 GLY 28 2HA GLY 28 -18.709 10.887 -0.559 752 H GLY 29 H GLY 29 -19.103 8.276 0.854 753 HA2 GLY 29 1HA GLY 29 -21.243 6.977 -0.591 754 HA3 GLY 29 2HA GLY 29 -19.639 6.602 -1.202 755 H GLY 30 H GLY 30 -20.073 7.239 2.181 756 HA2 GLY 30 1HA GLY 30 -19.590 4.375 2.706 757 HA3 GLY 30 2HA GLY 30 -19.033 5.686 3.734 758 H GLY 31 H GLY 31 -21.746 7.008 3.298 759 HA2 GLY 31 1HA GLY 31 -22.949 6.307 5.686 760 HA3 GLY 31 2HA GLY 31 -23.788 7.074 4.346 761 H GLY 32 H GLY 32 -23.712 4.400 6.315 762 HA2 GLY 32 1HA GLY 32 -25.888 3.143 5.064 763 HA3 GLY 32 2HA GLY 32 -24.422 2.298 4.590 764 H GLY 33 H GLY 33 -26.369 3.296 7.365 765 HA2 GLY 33 1HA GLY 33 -26.908 1.922 9.190 766 HA3 GLY 33 2HA GLY 33 -25.624 0.821 8.713 767 H GLY 34 H GLY 34 -25.743 4.285 9.569 768 HA2 GLY 34 1HA GLY 34 -24.884 4.753 11.906 769 HA3 GLY 34 2HA GLY 34 -23.512 3.763 11.432 770 H GLY 35 H GLY 35 -21.804 4.745 10.543 771 HA2 GLY 35 1HA GLY 35 -20.889 6.342 8.968 772 HA3 GLY 35 2HA GLY 35 -22.200 7.433 9.395 773 H GLU 36 H GLU 36 -19.454 5.734 10.903 774 HA GLU 36 HA GLU 36 -19.255 7.681 13.006 775 HB2 GLU 36 1HB GLU 36 -18.620 5.442 13.542 776 HB3 GLU 36 2HB GLU 36 -17.513 5.362 12.180 777 HG2 GLU 36 1HG GLU 36 -16.264 5.602 14.212 778 HG3 GLU 36 2HG GLU 36 -16.107 7.074 13.254 779 H LEU 37 H LEU 37 -17.752 7.132 9.904 780 HA LEU 37 HA LEU 37 -15.440 8.623 10.105 781 HG LEU 37 HG LEU 37 -14.225 8.100 7.910 782 HB2 LEU 37 1HB LEU 37 -17.220 7.761 7.955 783 HB3 LEU 37 2HB LEU 37 -16.334 9.239 7.586 784 HD11 LEU 37 1HD1 LEU 37 -14.276 5.594 8.237 785 HD12 LEU 37 2HD1 LEU 37 -15.956 5.787 8.737 786 HD13 LEU 37 3HD1 LEU 37 -14.669 6.573 9.651 787 HD21 LEU 37 3HD2 LEU 37 -14.521 7.703 5.734 788 HD22 LEU 37 1HD2 LEU 37 -16.215 7.263 5.959 789 HD23 LEU 37 2HD2 LEU 37 -14.950 6.059 6.212 790 H MET 38 H MET 38 -18.745 9.705 9.911 791 HA MET 38 HA MET 38 -18.126 12.428 9.280 792 HB2 MET 38 1HB MET 38 -20.656 11.351 10.528 793 HB3 MET 38 2HB MET 38 -20.462 12.869 9.660 794 HG2 MET 38 1HG MET 38 -20.043 11.666 7.599 795 HG3 MET 38 2HG MET 38 -20.153 10.130 8.454 796 HE1 MET 38 3HE MET 38 -23.314 8.970 8.090 797 HE2 MET 38 1HE MET 38 -22.773 9.475 6.489 798 HE3 MET 38 2HE MET 38 -21.603 8.892 7.672 799 H LYS 39 H LYS 39 -18.668 10.586 12.223 800 HA LYS 39 HA LYS 39 -18.787 12.829 13.969 801 HB2 LYS 39 1HB LYS 39 -19.656 10.519 14.473 802 HB3 LYS 39 2HB LYS 39 -17.988 10.003 14.677 803 HG2 LYS 39 1HG LYS 39 -18.241 10.531 16.820 804 HG3 LYS 39 2HG LYS 39 -18.157 12.216 16.302 805 HD2 LYS 39 1HD LYS 39 -20.723 11.883 15.865 806 HD3 LYS 39 2HD LYS 39 -20.535 10.561 17.020 807 HE2 LYS 39 1HE LYS 39 -20.067 11.971 18.762 808 HE3 LYS 39 2HE LYS 39 -19.380 13.212 17.716 809 HZ1 LYS 39 3HZ LYS 39 -21.993 13.099 16.967 810 HZ2 LYS 39 1HZ LYS 39 -21.306 14.261 17.988 811 HZ3 LYS 39 2HZ LYS 39 -22.070 12.902 18.644 812 H LEU 40 H LEU 40 -16.198 10.835 12.710 813 HA LEU 40 HA LEU 40 -14.184 11.731 14.502 814 HG LEU 40 HG LEU 40 -11.887 11.143 13.819 815 HB2 LEU 40 1HB LEU 40 -14.275 9.691 12.850 816 HB3 LEU 40 2HB LEU 40 -13.545 10.839 11.729 817 HD11 LEU 40 1HD1 LEU 40 -11.409 8.736 14.560 818 HD12 LEU 40 2HD1 LEU 40 -13.061 8.394 14.047 819 HD13 LEU 40 3HD1 LEU 40 -12.761 9.582 15.315 820 HD21 LEU 40 3HD2 LEU 40 -11.662 8.915 11.799 821 HD22 LEU 40 1HD2 LEU 40 -10.339 9.729 12.634 822 HD23 LEU 40 2HD2 LEU 40 -11.321 10.614 11.466 823 H CYS 41 H CYS 41 -15.391 12.874 11.410 824 HA CYS 41 HA CYS 41 -13.302 14.782 10.997 825 HG CYS 41 HG CYS 41 -14.978 16.881 8.345 826 HB2 CYS 41 1HB CYS 41 -14.927 13.716 9.264 827 HB3 CYS 41 2HB CYS 41 -16.026 14.999 9.754 828 H GLU 42 H GLU 42 -16.626 14.948 12.221 829 HA GLU 42 HA GLU 42 -16.686 17.745 12.585 830 HB2 GLU 42 1HB GLU 42 -18.745 16.500 12.529 831 HB3 GLU 42 2HB GLU 42 -18.252 15.528 13.908 832 HG2 GLU 42 1HG GLU 42 -18.711 17.174 15.416 833 HG3 GLU 42 2HG GLU 42 -18.417 18.471 14.259 834 H GLU 43 H GLU 43 -15.442 15.127 14.518 835 HA GLU 43 HA GLU 43 -15.288 16.425 17.003 836 HB2 GLU 43 1HB GLU 43 -14.970 13.997 16.699 837 HB3 GLU 43 2HB GLU 43 -13.447 14.309 15.876 838 HG2 GLU 43 1HG GLU 43 -12.381 14.977 17.818 839 HG3 GLU 43 2HG GLU 43 -13.897 15.318 18.652 840 H ALA 44 H ALA 44 -12.874 16.127 14.407 841 HA ALA 44 HA ALA 44 -10.816 17.560 15.621 842 HB1 ALA 44 3HB ALA 44 -10.651 18.133 12.888 843 HB2 ALA 44 1HB ALA 44 -9.843 16.833 13.763 844 HB3 ALA 44 2HB ALA 44 -11.406 16.542 12.998 845 H ALA 45 H ALA 45 -13.553 18.689 13.692 846 HA ALA 45 HA ALA 45 -12.711 21.414 13.622 847 HB1 ALA 45 3HB ALA 45 -14.234 21.385 12.005 848 HB2 ALA 45 1HB ALA 45 -14.887 19.849 12.575 849 HB3 ALA 45 2HB ALA 45 -15.478 21.365 13.255 850 H LYS 46 H LYS 46 -14.540 19.464 15.846 851 HA LYS 46 HA LYS 46 -15.859 21.532 17.244 852 HB2 LYS 46 1HB LYS 46 -15.772 18.754 17.375 853 HB3 LYS 46 2HB LYS 46 -15.113 19.273 18.920 854 HG2 LYS 46 1HG LYS 46 -17.290 20.887 18.695 855 HG3 LYS 46 2HG LYS 46 -17.849 19.417 17.893 856 HD2 LYS 46 1HD LYS 46 -17.300 18.098 19.843 857 HD3 LYS 46 2HD LYS 46 -16.596 19.508 20.637 858 HE2 LYS 46 1HE LYS 46 -19.384 19.792 19.711 859 HE3 LYS 46 2HE LYS 46 -19.122 18.665 21.041 860 HZ1 LYS 46 3HZ LYS 46 -19.214 21.467 21.126 861 HZ2 LYS 46 1HZ LYS 46 -17.660 20.978 21.582 862 HZ3 LYS 46 2HZ LYS 46 -19.010 20.383 22.408 863 H LYS 47 H LYS 47 -12.665 20.096 17.556 864 HA LYS 47 HA LYS 47 -11.934 21.174 20.030 865 HB2 LYS 47 1HB LYS 47 -10.168 20.620 17.638 866 HB3 LYS 47 2HB LYS 47 -9.612 20.839 19.292 867 HG2 LYS 47 1HG LYS 47 -11.630 18.726 18.777 868 HG3 LYS 47 2HG LYS 47 -9.973 18.445 18.238 869 HD2 LYS 47 1HD LYS 47 -9.519 17.783 20.318 870 HD3 LYS 47 2HD LYS 47 -9.709 19.467 20.811 871 HE2 LYS 47 1HE LYS 47 -12.291 18.683 20.747 872 HE3 LYS 47 2HE LYS 47 -11.512 17.161 21.176 873 HZ1 LYS 47 3HZ LYS 47 -11.219 17.883 23.235 874 HZ2 LYS 47 1HZ LYS 47 -12.113 19.269 22.860 875 HZ3 LYS 47 2HZ LYS 47 -10.428 19.281 22.704 876 H ALA 48 H ALA 48 -11.923 22.566 16.807 877 HA ALA 48 HA ALA 48 -10.377 24.853 17.357 878 HB1 ALA 48 3HB ALA 48 -11.169 23.899 15.095 879 HB2 ALA 48 1HB ALA 48 -12.618 24.867 15.371 880 HB3 ALA 48 2HB ALA 48 -11.039 25.649 15.278 881 H GLU 49 H GLU 49 -13.761 24.115 17.876 882 HA GLU 49 HA GLU 49 -14.586 26.793 18.398 883 HB2 GLU 49 1HB GLU 49 -15.788 24.146 18.397 884 HB3 GLU 49 2HB GLU 49 -16.355 25.118 19.747 885 HG2 GLU 49 1HG GLU 49 -17.274 26.740 18.354 886 HG3 GLU 49 2HG GLU 49 -16.334 26.208 16.961 887 H GLU 50 H GLU 50 -13.302 24.178 20.345 888 HA GLU 50 HA GLU 50 -13.853 25.487 22.850 889 HB2 GLU 50 1HB GLU 50 -13.815 23.076 22.811 890 HB3 GLU 50 2HB GLU 50 -12.186 23.068 22.149 891 HG2 GLU 50 1HG GLU 50 -11.231 23.737 24.165 892 HG3 GLU 50 2HG GLU 50 -12.769 24.309 24.809 893 H LEU 51 H LEU 51 -11.194 25.275 20.600 894 HA LEU 51 HA LEU 51 -9.220 26.344 22.371 895 HG LEU 51 HG LEU 51 -8.945 23.956 20.886 896 HB2 LEU 51 1HB LEU 51 -9.335 25.995 19.386 897 HB3 LEU 51 2HB LEU 51 -7.949 26.710 20.209 898 HD11 LEU 51 1HD1 LEU 51 -8.483 23.567 18.675 899 HD12 LEU 51 2HD1 LEU 51 -6.887 23.332 19.388 900 HD13 LEU 51 3HD1 LEU 51 -7.278 24.852 18.585 901 HD21 LEU 51 3HD2 LEU 51 -7.222 23.902 22.289 902 HD22 LEU 51 1HD2 LEU 51 -7.037 25.635 22.011 903 HD23 LEU 51 2HD2 LEU 51 -6.108 24.483 21.050 904 H PHE 52 H PHE 52 -11.531 27.675 20.116 905 HA PHE 52 HA PHE 52 -10.441 30.248 19.834 906 HD1 PHE 52 HD1 PHE 52 -12.332 32.574 19.563 907 HD2 PHE 52 HD2 PHE 52 -12.192 29.459 16.666 908 HE1 PHE 52 HE1 PHE 52 -12.001 34.244 17.787 909 HE2 PHE 52 HE2 PHE 52 -11.859 31.124 14.885 910 HZ PHE 52 HZ PHE 52 -11.763 33.520 15.445 911 HB2 PHE 52 1HB PHE 52 -12.650 28.929 18.850 912 HB3 PHE 52 2HB PHE 52 -13.368 30.165 19.878 913 H LYS 53 H LYS 53 -12.419 28.801 22.334 914 HA LYS 53 HA LYS 53 -13.210 31.160 23.652 915 HB2 LYS 53 1HB LYS 53 -14.028 28.723 23.970 916 HB3 LYS 53 2HB LYS 53 -12.679 28.574 25.088 917 HG2 LYS 53 1HG LYS 53 -14.428 29.125 26.482 918 HG3 LYS 53 2HG LYS 53 -13.668 30.691 26.192 919 HD2 LYS 53 1HD LYS 53 -15.417 30.647 24.152 920 HD3 LYS 53 2HD LYS 53 -16.299 29.661 25.321 921 HE2 LYS 53 1HE LYS 53 -15.945 31.484 26.995 922 HE3 LYS 53 2HE LYS 53 -15.269 32.469 25.699 923 HZ1 LYS 53 3HZ LYS 53 -17.412 33.141 25.578 924 HZ2 LYS 53 1HZ LYS 53 -18.037 31.696 26.197 925 HZ3 LYS 53 2HZ LYS 53 -17.551 31.784 24.579 926 H LEU 54 H LEU 54 -10.375 29.077 24.030 927 HA LEU 54 HA LEU 54 -9.308 30.600 26.216 928 HG LEU 54 HG LEU 54 -8.303 29.081 27.555 929 HB2 LEU 54 1HB LEU 54 -8.596 28.199 24.715 930 HB3 LEU 54 2HB LEU 54 -7.203 29.170 25.187 931 HD11 LEU 54 1HD1 LEU 54 -9.284 26.426 26.640 932 HD12 LEU 54 2HD1 LEU 54 -10.307 27.839 26.384 933 HD13 LEU 54 3HD1 LEU 54 -9.791 27.408 28.014 934 HD21 LEU 54 3HD2 LEU 54 -6.503 27.844 27.940 935 HD22 LEU 54 1HD2 LEU 54 -6.341 27.578 26.204 936 HD23 LEU 54 2HD2 LEU 54 -7.265 26.442 27.188 937 H ALA 55 H ALA 55 -8.568 30.289 22.759 938 HA ALA 55 HA ALA 55 -6.358 31.970 22.640 939 HB1 ALA 55 3HB ALA 55 -6.687 32.062 20.312 940 HB2 ALA 55 1HB ALA 55 -7.315 30.490 20.812 941 HB3 ALA 55 2HB ALA 55 -8.427 31.816 20.467 942 H GLU 56 H GLU 56 -9.712 32.727 23.041 943 HA GLU 56 HA GLU 56 -9.820 35.340 22.098 944 HB2 GLU 56 1HB GLU 56 -11.795 34.082 22.838 945 HB3 GLU 56 2HB GLU 56 -11.233 34.169 24.501 946 HG2 GLU 56 1HG GLU 56 -11.547 36.527 24.566 947 HG3 GLU 56 2HG GLU 56 -11.860 36.589 22.833 948 H GLU 57 H GLU 57 -9.017 34.202 25.374 949 HA GLU 57 HA GLU 57 -8.328 36.841 26.275 950 HB2 GLU 57 1HB GLU 57 -8.540 34.160 27.444 951 HB3 GLU 57 2HB GLU 57 -7.234 35.124 28.116 952 HG2 GLU 57 1HG GLU 57 -8.871 36.935 28.557 953 HG3 GLU 57 2HG GLU 57 -10.150 35.847 28.021 954 H ARG 58 H ARG 58 -6.662 34.170 24.827 955 HA ARG 58 HA ARG 58 -4.031 34.815 25.637 956 HE ARG 58 HE ARG 58 -2.432 33.113 26.666 957 HB2 ARG 58 1HB ARG 58 -4.928 33.398 23.122 958 HB3 ARG 58 2HB ARG 58 -3.312 33.360 23.812 959 HG2 ARG 58 1HG ARG 58 -5.513 32.503 25.581 960 HG3 ARG 58 2HG ARG 58 -5.132 31.447 24.220 961 HD2 ARG 58 1HD ARG 58 -3.801 30.677 26.002 962 HD3 ARG 58 2HD ARG 58 -2.713 31.600 24.967 963 HH11 ARG 58 1HH1 ARG 58 -5.175 31.088 27.369 964 HH12 ARG 58 2HH1 ARG 58 -5.367 31.685 28.984 965 HH21 ARG 58 2HH2 ARG 58 -3.944 33.289 29.792 966 HH22 ARG 58 1HH2 ARG 58 -2.674 33.907 28.791 967 H LEU 59 H LEU 59 -6.039 35.857 22.942 968 HA LEU 59 HA LEU 59 -3.954 37.816 22.238 969 HG LEU 59 HG LEU 59 -2.808 36.765 20.384 970 HB2 LEU 59 1HB LEU 59 -5.761 36.192 20.487 971 HB3 LEU 59 2HB LEU 59 -5.102 37.728 19.928 972 HD11 LEU 59 1HD1 LEU 59 -3.360 34.051 20.070 973 HD12 LEU 59 2HD1 LEU 59 -4.444 34.599 21.349 974 HD13 LEU 59 3HD1 LEU 59 -2.705 34.849 21.499 975 HD21 LEU 59 3HD2 LEU 59 -4.694 35.887 18.261 976 HD22 LEU 59 1HD2 LEU 59 -3.110 35.115 18.342 977 HD23 LEU 59 2HD2 LEU 59 -3.229 36.864 18.144 978 H LYS 60 H LYS 60 -6.325 37.930 24.066 979 HA LYS 60 HA LYS 60 -8.423 39.404 22.993 980 HB2 LYS 60 1HB LYS 60 -7.629 38.564 25.537 981 HB3 LYS 60 2HB LYS 60 -7.726 40.316 25.657 982 HG2 LYS 60 1HG LYS 60 -10.035 39.885 24.418 983 HG3 LYS 60 2HG LYS 60 -9.866 38.318 25.213 984 HD2 LYS 60 1HD LYS 60 -10.347 39.179 27.219 985 HD3 LYS 60 2HD LYS 60 -9.247 40.539 26.986 986 HE2 LYS 60 1HE LYS 60 -10.934 41.717 25.704 987 HE3 LYS 60 2HE LYS 60 -12.023 40.337 25.823 988 HZ1 LYS 60 3HZ LYS 60 -11.237 41.041 28.409 989 HZ2 LYS 60 1HZ LYS 60 -12.777 41.156 27.719 990 HZ3 LYS 60 2HZ LYS 60 -11.708 42.462 27.623 991 H LYS 61 H LYS 61 -8.550 41.370 22.147 992 HA LYS 61 HA LYS 61 -6.407 43.049 21.692 993 HB2 LYS 61 1HB LYS 61 -9.027 43.021 20.938 994 HB3 LYS 61 2HB LYS 61 -8.994 44.427 21.994 995 HG2 LYS 61 1HG LYS 61 -6.972 45.181 20.623 996 HG3 LYS 61 2HG LYS 61 -7.473 43.954 19.457 997 HD2 LYS 61 1HD LYS 61 -8.658 45.695 18.614 998 HD3 LYS 61 2HD LYS 61 -9.825 45.170 19.830 999 HE2 LYS 61 1HE LYS 61 -9.084 46.848 21.362 1000 HE3 LYS 61 2HE LYS 61 -7.725 47.273 20.323 1001 HZ1 LYS 61 3HZ LYS 61 -8.998 48.620 19.120 1002 HZ2 LYS 61 1HZ LYS 61 -10.163 48.482 20.339 1003 HZ3 LYS 61 2HZ LYS 61 -10.242 47.480 18.978 1004 H LEU 62 H LEU 62 -8.824 43.242 24.287 1005 HA LEU 62 HA LEU 62 -6.946 44.937 25.787 1006 HG LEU 62 HG LEU 62 -7.470 47.253 25.658 1007 HB2 LEU 62 1HB LEU 62 -9.336 45.822 24.733 1008 HB3 LEU 62 2HB LEU 62 -9.751 45.431 26.401 1009 HD11 LEU 62 1HD1 LEU 62 -8.827 49.063 25.600 1010 HD12 LEU 62 2HD1 LEU 62 -10.000 48.362 26.713 1011 HD13 LEU 62 3HD1 LEU 62 -9.989 47.870 25.020 1012 HD21 LEU 62 3HD2 LEU 62 -9.009 47.121 28.234 1013 HD22 LEU 62 1HD2 LEU 62 -7.437 47.858 27.923 1014 HD23 LEU 62 2HD2 LEU 62 -7.601 46.102 27.931 Start of MODEL 5 1 HA MET 1 HA MET 1 -9.478 9.049 -3.856 2 H1 MET 1 1H MET 1 -7.353 9.103 -2.967 3 HB2 MET 1 1HB MET 1 -9.595 10.231 -5.922 4 HB3 MET 1 2HB MET 1 -8.195 10.851 -5.058 5 HG2 MET 1 1HG MET 1 -6.909 9.058 -6.455 6 HG3 MET 1 2HG MET 1 -8.319 9.163 -7.506 7 HE1 MET 1 3HE MET 1 -7.144 11.728 -9.842 8 HE2 MET 1 1HE MET 1 -6.681 10.045 -9.589 9 HE3 MET 1 2HE MET 1 -8.366 10.532 -9.403 10 H LYS 2 H LYS 2 -8.052 6.459 -3.972 11 HA LYS 2 HA LYS 2 -9.340 5.293 -6.349 12 HB2 LYS 2 1HB LYS 2 -6.742 4.936 -5.217 13 HB3 LYS 2 2HB LYS 2 -7.613 3.412 -5.096 14 HG2 LYS 2 1HG LYS 2 -7.279 5.001 -7.631 15 HG3 LYS 2 2HG LYS 2 -6.288 3.617 -7.163 16 HD2 LYS 2 1HD LYS 2 -8.482 2.322 -6.995 17 HD3 LYS 2 2HD LYS 2 -9.213 3.678 -7.858 18 HE2 LYS 2 1HE LYS 2 -6.812 2.900 -9.195 19 HE3 LYS 2 2HE LYS 2 -7.809 1.471 -8.928 20 HZ1 LYS 2 3HZ LYS 2 -8.113 3.281 -10.939 21 HZ2 LYS 2 1HZ LYS 2 -9.332 3.711 -9.847 22 HZ3 LYS 2 2HZ LYS 2 -9.261 2.136 -10.456 23 H LYS 3 H LYS 3 -8.733 4.747 -2.894 24 HA LYS 3 HA LYS 3 -11.076 2.960 -2.844 25 HB2 LYS 3 1HB LYS 3 -10.015 2.202 -0.616 26 HB3 LYS 3 2HB LYS 3 -9.280 1.657 -2.118 27 HG2 LYS 3 1HG LYS 3 -7.511 3.235 -1.918 28 HG3 LYS 3 2HG LYS 3 -8.311 4.046 -0.570 29 HD2 LYS 3 1HD LYS 3 -6.499 2.624 0.227 30 HD3 LYS 3 2HD LYS 3 -8.060 2.023 0.791 31 HE2 LYS 3 1HE LYS 3 -7.792 0.080 -0.273 32 HE3 LYS 3 2HE LYS 3 -7.314 0.882 -1.768 33 HZ1 LYS 3 3HZ LYS 3 -5.128 0.697 -1.278 34 HZ2 LYS 3 1HZ LYS 3 -5.667 -0.637 -0.389 35 HZ3 LYS 3 2HZ LYS 3 -5.356 0.831 0.392 36 H LEU 4 H LEU 4 -10.841 5.972 -2.592 37 HA LEU 4 HA LEU 4 -12.019 7.586 -1.494 38 HG LEU 4 HG LEU 4 -13.505 5.402 -2.389 39 HB2 LEU 4 1HB LEU 4 -13.039 5.517 0.421 40 HB3 LEU 4 2HB LEU 4 -13.801 7.025 -0.082 41 HD11 LEU 4 1HD1 LEU 4 -15.209 3.627 -1.363 42 HD12 LEU 4 2HD1 LEU 4 -14.222 3.921 0.068 43 HD13 LEU 4 3HD1 LEU 4 -13.467 3.355 -1.421 44 HD21 LEU 4 3HD2 LEU 4 -15.778 5.805 -2.637 45 HD22 LEU 4 1HD2 LEU 4 -15.237 7.176 -1.669 46 HD23 LEU 4 2HD2 LEU 4 -16.067 5.824 -0.897 47 H ARG 5 H ARG 5 -11.243 5.259 1.096 48 HA ARG 5 HA ARG 5 -10.533 7.092 3.032 49 HE ARG 5 HE ARG 5 -10.265 2.274 3.724 50 HB2 ARG 5 1HB ARG 5 -9.605 4.270 2.535 51 HB3 ARG 5 2HB ARG 5 -9.064 5.192 3.932 52 HG2 ARG 5 1HG ARG 5 -10.840 4.314 4.954 53 HG3 ARG 5 2HG ARG 5 -11.767 5.521 4.061 54 HD2 ARG 5 1HD ARG 5 -12.794 3.363 3.769 55 HD3 ARG 5 2HD ARG 5 -12.078 3.873 2.241 56 HH11 ARG 5 1HH1 ARG 5 -13.139 2.092 1.767 57 HH12 ARG 5 2HH1 ARG 5 -12.835 0.470 1.240 58 HH21 ARG 5 2HH2 ARG 5 -10.967 -0.641 1.965 59 HH22 ARG 5 1HH2 ARG 5 -9.854 0.138 3.037 60 H GLU 6 H GLU 6 -8.650 5.877 0.345 61 HA GLU 6 HA GLU 6 -6.087 6.589 1.125 62 HB2 GLU 6 1HB GLU 6 -6.751 5.326 -0.953 63 HB3 GLU 6 2HB GLU 6 -7.175 6.871 -1.676 64 HG2 GLU 6 1HG GLU 6 -5.085 6.934 -2.416 65 HG3 GLU 6 2HG GLU 6 -4.626 7.307 -0.756 66 H GLU 7 H GLU 7 -8.485 8.556 -0.619 67 HA GLU 7 HA GLU 7 -6.850 10.890 -0.657 68 HB2 GLU 7 1HB GLU 7 -8.976 10.171 -2.092 69 HB3 GLU 7 2HB GLU 7 -9.812 11.112 -0.864 70 HG2 GLU 7 1HG GLU 7 -8.453 13.052 -1.392 71 HG3 GLU 7 2HG GLU 7 -7.556 12.115 -2.586 72 H ALA 8 H ALA 8 -9.363 9.663 1.471 73 HA ALA 8 HA ALA 8 -9.946 11.915 2.966 74 HB1 ALA 8 3HB ALA 8 -9.817 9.016 3.754 75 HB2 ALA 8 1HB ALA 8 -10.387 10.279 4.846 76 HB3 ALA 8 2HB ALA 8 -11.237 9.973 3.330 77 H ALA 9 H ALA 9 -7.158 9.788 3.144 78 HA ALA 9 HA ALA 9 -6.129 10.814 5.589 79 HB1 ALA 9 3HB ALA 9 -5.235 8.759 5.140 80 HB2 ALA 9 1HB ALA 9 -5.090 9.076 3.411 81 HB3 ALA 9 2HB ALA 9 -3.938 9.793 4.539 82 H LYS 10 H LYS 10 -5.805 11.724 2.225 83 HA LYS 10 HA LYS 10 -3.598 13.495 2.606 84 HB2 LYS 10 1HB LYS 10 -5.302 12.636 0.407 85 HB3 LYS 10 2HB LYS 10 -4.937 14.355 0.328 86 HG2 LYS 10 1HG LYS 10 -2.795 14.002 -0.220 87 HG3 LYS 10 2HG LYS 10 -2.625 12.651 0.904 88 HD2 LYS 10 1HD LYS 10 -3.781 11.186 -0.670 89 HD3 LYS 10 2HD LYS 10 -3.992 12.537 -1.786 90 HE2 LYS 10 1HE LYS 10 -2.056 11.929 -2.706 91 HE3 LYS 10 2HE LYS 10 -1.275 12.527 -1.242 92 HZ1 LYS 10 3HZ LYS 10 -0.499 10.363 -1.467 93 HZ2 LYS 10 1HZ LYS 10 -2.007 9.751 -1.932 94 HZ3 LYS 10 2HZ LYS 10 -1.739 10.209 -0.326 95 H LEU 11 H LEU 11 -7.082 13.802 2.739 96 HA LEU 11 HA LEU 11 -7.395 16.546 2.549 97 HG LEU 11 HG LEU 11 -9.350 14.878 1.544 98 HB2 LEU 11 1HB LEU 11 -8.872 14.371 3.936 99 HB3 LEU 11 2HB LEU 11 -9.288 16.037 4.328 100 HD11 LEU 11 1HD1 LEU 11 -11.163 13.795 2.309 101 HD12 LEU 11 2HD1 LEU 11 -11.930 15.378 2.195 102 HD13 LEU 11 3HD1 LEU 11 -11.298 14.814 3.742 103 HD21 LEU 11 3HD2 LEU 11 -9.092 17.196 1.354 104 HD22 LEU 11 1HD2 LEU 11 -10.135 17.518 2.738 105 HD23 LEU 11 2HD2 LEU 11 -10.832 16.938 1.225 106 H PHE 12 H PHE 12 -6.227 14.612 5.221 107 HA PHE 12 HA PHE 12 -6.435 16.509 7.274 108 HD1 PHE 12 HD1 PHE 12 -7.714 14.136 7.103 109 HD2 PHE 12 HD2 PHE 12 -4.722 14.329 10.123 110 HE1 PHE 12 HE1 PHE 12 -9.321 13.259 8.747 111 HE2 PHE 12 HE2 PHE 12 -6.323 13.452 11.771 112 HZ PHE 12 HZ PHE 12 -8.627 12.915 11.084 113 HB2 PHE 12 1HB PHE 12 -4.885 14.027 6.815 114 HB3 PHE 12 2HB PHE 12 -4.239 15.127 8.026 115 H GLU 13 H GLU 13 -4.141 16.147 4.679 116 HA GLU 13 HA GLU 13 -2.131 17.847 5.775 117 HB2 GLU 13 1HB GLU 13 -1.715 16.144 4.002 118 HB3 GLU 13 2HB GLU 13 -2.618 17.147 2.876 119 HG2 GLU 13 1HG GLU 13 -0.532 18.639 4.215 120 HG3 GLU 13 2HG GLU 13 0.100 17.235 3.358 121 H GLU 14 H GLU 14 -4.974 18.336 3.790 122 HA GLU 14 HA GLU 14 -4.489 20.859 2.762 123 HB2 GLU 14 1HB GLU 14 -6.663 19.126 2.887 124 HB3 GLU 14 2HB GLU 14 -7.230 20.582 3.693 125 HG2 GLU 14 1HG GLU 14 -7.819 20.874 1.459 126 HG3 GLU 14 2HG GLU 14 -6.365 21.849 1.665 127 H TRP 15 H TRP 15 -5.867 19.983 5.913 128 HA TRP 15 HA TRP 15 -6.365 22.589 6.819 129 HD1 TRP 15 HD1 TRP 15 -8.425 21.463 6.287 130 HE1 TRP 15 HE1 TRP 15 -10.241 19.640 6.199 131 HE3 TRP 15 HE3 TRP 15 -6.581 18.306 9.861 132 HZ2 TRP 15 HZ2 TRP 15 -10.815 17.189 7.475 133 HZ3 TRP 15 HZ3 TRP 15 -7.823 16.244 10.368 134 HH2 TRP 15 HH2 TRP 15 -9.897 15.698 9.199 135 HB2 TRP 15 1HB TRP 15 -5.595 20.252 8.570 136 HB3 TRP 15 2HB TRP 15 -6.589 21.640 9.004 137 H LYS 16 H LYS 16 -3.557 20.472 7.371 138 HA LYS 16 HA LYS 16 -2.063 22.252 8.923 139 HB2 LYS 16 1HB LYS 16 -1.034 20.157 6.999 140 HB3 LYS 16 2HB LYS 16 -0.117 20.894 8.307 141 HG2 LYS 16 1HG LYS 16 -1.486 19.852 9.955 142 HG3 LYS 16 2HG LYS 16 -2.628 19.291 8.731 143 HD2 LYS 16 1HD LYS 16 -0.195 18.282 7.880 144 HD3 LYS 16 2HD LYS 16 -0.134 18.105 9.635 145 HE2 LYS 16 1HE LYS 16 -2.591 17.193 9.256 146 HE3 LYS 16 2HE LYS 16 -1.954 16.842 7.650 147 HZ1 LYS 16 3HZ LYS 16 -1.495 15.476 10.099 148 HZ2 LYS 16 1HZ LYS 16 -0.030 15.964 9.407 149 HZ3 LYS 16 2HZ LYS 16 -1.105 15.004 8.522 150 H LYS 17 H LYS 17 -2.467 22.003 5.456 151 HA LYS 17 HA LYS 17 -0.318 23.513 4.561 152 HB2 LYS 17 1HB LYS 17 -2.572 22.378 3.417 153 HB3 LYS 17 2HB LYS 17 -2.786 24.098 3.117 154 HG2 LYS 17 1HG LYS 17 -0.373 24.043 2.248 155 HG3 LYS 17 2HG LYS 17 -0.581 22.291 2.200 156 HD2 LYS 17 1HD LYS 17 -1.383 22.667 0.133 157 HD3 LYS 17 2HD LYS 17 -2.859 23.140 0.977 158 HE2 LYS 17 1HE LYS 17 -2.098 25.473 0.971 159 HE3 LYS 17 2HE LYS 17 -0.642 24.990 0.102 160 HZ1 LYS 17 3HZ LYS 17 -1.878 24.447 -1.794 161 HZ2 LYS 17 1HZ LYS 17 -2.532 25.917 -1.269 162 HZ3 LYS 17 2HZ LYS 17 -3.352 24.470 -0.965 163 H LEU 18 H LEU 18 -3.578 24.646 5.443 164 HA LEU 18 HA LEU 18 -2.910 27.402 5.116 165 HG LEU 18 HG LEU 18 -6.562 27.203 4.641 166 HB2 LEU 18 1HB LEU 18 -5.240 25.860 6.119 167 HB3 LEU 18 2HB LEU 18 -5.104 27.549 6.609 168 HD11 LEU 18 1HD1 LEU 18 -5.991 29.214 3.839 169 HD12 LEU 18 2HD1 LEU 18 -4.347 28.706 3.453 170 HD13 LEU 18 3HD1 LEU 18 -4.757 29.188 5.100 171 HD21 LEU 18 3HD2 LEU 18 -5.576 26.622 2.497 172 HD22 LEU 18 1HD2 LEU 18 -5.349 25.313 3.658 173 HD23 LEU 18 2HD2 LEU 18 -4.004 26.386 3.265 174 H ALA 19 H ALA 19 -2.778 25.125 7.743 175 HA ALA 19 HA ALA 19 -2.634 26.965 9.883 176 HB1 ALA 19 3HB ALA 19 -3.037 24.429 9.953 177 HB2 ALA 19 1HB ALA 19 -1.279 24.292 9.912 178 HB3 ALA 19 2HB ALA 19 -2.065 25.153 11.236 179 H GLU 20 H GLU 20 -0.153 25.437 7.869 180 HA GLU 20 HA GLU 20 2.078 26.447 9.266 181 HB2 GLU 20 1HB GLU 20 1.700 25.467 6.444 182 HB3 GLU 20 2HB GLU 20 3.255 26.046 7.023 183 HG2 GLU 20 1HG GLU 20 3.266 24.337 8.753 184 HG3 GLU 20 2HG GLU 20 1.689 23.766 8.209 185 H GLU 21 H GLU 21 0.325 27.654 6.425 186 HA GLU 21 HA GLU 21 1.973 29.912 6.003 187 HB2 GLU 21 1HB GLU 21 0.335 28.878 4.363 188 HB3 GLU 21 2HB GLU 21 -0.941 29.691 5.258 189 HG2 GLU 21 1HG GLU 21 0.431 31.830 4.833 190 HG3 GLU 21 2HG GLU 21 1.236 30.875 3.589 191 H ALA 22 H ALA 22 -0.774 29.309 8.070 192 HA ALA 22 HA ALA 22 -1.347 32.030 8.678 193 HB1 ALA 22 3HB ALA 22 -3.045 30.361 9.000 194 HB2 ALA 22 1HB ALA 22 -2.027 29.488 10.147 195 HB3 ALA 22 2HB ALA 22 -2.656 31.084 10.561 196 H ALA 23 H ALA 23 0.847 29.639 9.974 197 HA ALA 23 HA ALA 23 1.422 30.818 12.449 198 HB1 ALA 23 3HB ALA 23 3.408 29.473 12.472 199 HB2 ALA 23 1HB ALA 23 2.103 28.534 11.748 200 HB3 ALA 23 2HB ALA 23 3.340 29.261 10.723 201 H LYS 24 H LYS 24 2.565 31.534 9.220 202 HA LYS 24 HA LYS 24 4.772 33.146 9.940 203 HB2 LYS 24 1HB LYS 24 3.685 32.210 7.575 204 HB3 LYS 24 2HB LYS 24 3.423 33.947 7.475 205 HG2 LYS 24 1HG LYS 24 5.495 33.552 6.448 206 HG3 LYS 24 2HG LYS 24 5.874 34.216 8.040 207 HD2 LYS 24 1HD LYS 24 6.802 32.283 8.768 208 HD3 LYS 24 2HD LYS 24 5.659 31.276 7.877 209 HE2 LYS 24 1HE LYS 24 6.958 31.212 6.018 210 HE3 LYS 24 2HE LYS 24 7.584 32.841 6.268 211 HZ1 LYS 24 3HZ LYS 24 9.436 31.848 6.950 212 HZ2 LYS 24 1HZ LYS 24 8.698 30.329 7.054 213 HZ3 LYS 24 2HZ LYS 24 8.599 31.408 8.353 214 H LEU 25 H LEU 25 1.364 33.871 9.349 215 HA LEU 25 HA LEU 25 1.577 36.679 9.485 216 HG LEU 25 HG LEU 25 -1.845 36.488 8.292 217 HB2 LEU 25 1HB LEU 25 -0.478 34.744 9.199 218 HB3 LEU 25 2HB LEU 25 -0.944 35.836 10.502 219 HD11 LEU 25 1HD1 LEU 25 -0.848 38.075 10.259 220 HD12 LEU 25 2HD1 LEU 25 -1.763 38.652 8.866 221 HD13 LEU 25 3HD1 LEU 25 -0.001 38.698 8.843 222 HD21 LEU 25 3HD2 LEU 25 0.570 35.776 7.294 223 HD22 LEU 25 1HD2 LEU 25 0.747 37.529 7.375 224 HD23 LEU 25 2HD2 LEU 25 -0.583 36.818 6.459 225 H LEU 26 H LEU 26 1.156 34.203 11.943 226 HA LEU 26 HA LEU 26 0.545 35.951 14.086 227 HG LEU 26 HG LEU 26 -0.812 34.522 15.340 228 HB2 LEU 26 1HB LEU 26 1.340 33.121 13.781 229 HB3 LEU 26 2HB LEU 26 1.657 33.858 15.349 230 HD11 LEU 26 1HD1 LEU 26 -1.126 34.065 12.913 231 HD12 LEU 26 2HD1 LEU 26 -2.297 33.259 13.955 232 HD13 LEU 26 3HD1 LEU 26 -0.957 32.344 13.263 233 HD21 LEU 26 3HD2 LEU 26 -0.085 31.596 15.452 234 HD22 LEU 26 1HD2 LEU 26 -1.487 32.353 16.208 235 HD23 LEU 26 2HD2 LEU 26 0.139 32.761 16.756 236 H GLU 27 H GLU 27 3.562 34.685 12.778 237 HA GLU 27 HA GLU 27 5.083 36.155 14.804 238 HB2 GLU 27 1HB GLU 27 6.975 34.865 14.171 239 HB3 GLU 27 2HB GLU 27 5.619 33.749 14.258 240 HG2 GLU 27 1HG GLU 27 5.406 34.184 11.721 241 HG3 GLU 27 2HG GLU 27 7.057 34.787 11.855 242 H GLY 28 H GLY 28 3.611 37.196 12.298 243 HA2 GLY 28 1HA GLY 28 5.523 38.151 10.467 244 HA3 GLY 28 2HA GLY 28 3.933 38.848 10.737 245 H GLY 29 H GLY 29 4.487 39.371 13.583 246 HA2 GLY 29 1HA GLY 29 6.130 41.781 13.174 247 HA3 GLY 29 2HA GLY 29 4.882 41.599 14.397 248 H GLY 30 H GLY 30 6.045 38.791 14.871 249 HA2 GLY 30 1HA GLY 30 7.771 39.601 17.024 250 HA3 GLY 30 2HA GLY 30 7.309 37.955 16.619 251 H GLY 31 H GLY 31 9.530 37.391 17.080 252 HA2 GLY 31 1HA GLY 31 11.460 38.293 15.051 253 HA3 GLY 31 2HA GLY 31 11.869 37.533 16.582 254 H GLY 32 H GLY 32 13.244 36.139 15.277 255 HA2 GLY 32 1HA GLY 32 11.823 34.188 13.615 256 HA3 GLY 32 2HA GLY 32 13.567 34.390 13.712 257 H GLY 33 H GLY 33 13.660 34.391 16.611 258 HA2 GLY 33 1HA GLY 33 12.874 31.598 17.159 259 HA3 GLY 33 2HA GLY 33 14.481 32.189 17.551 260 H GLY 34 H GLY 34 11.040 32.636 18.258 261 HA2 GLY 34 1HA GLY 34 11.019 32.516 20.928 262 HA3 GLY 34 2HA GLY 34 11.660 34.133 20.674 263 H GLY 35 H GLY 35 8.869 32.254 20.950 264 HA2 GLY 35 1HA GLY 35 7.080 34.323 21.141 265 HA3 GLY 35 2HA GLY 35 7.094 33.915 19.432 266 H GLU 36 H GLU 36 5.380 33.461 22.116 267 HA GLU 36 HA GLU 36 4.914 30.644 22.074 268 HB2 GLU 36 1HB GLU 36 4.475 31.827 24.108 269 HB3 GLU 36 2HB GLU 36 3.390 32.945 23.293 270 HG2 GLU 36 1HG GLU 36 1.826 31.108 22.874 271 HG3 GLU 36 2HG GLU 36 2.906 30.006 23.725 272 H LEU 37 H LEU 37 3.506 33.417 20.475 273 HA LEU 37 HA LEU 37 1.084 32.381 19.618 274 HG LEU 37 HG LEU 37 1.185 35.975 18.755 275 HB2 LEU 37 1HB LEU 37 2.977 34.409 18.544 276 HB3 LEU 37 2HB LEU 37 1.648 33.876 17.518 277 HD11 LEU 37 1HD1 LEU 37 -0.840 35.165 18.236 278 HD12 LEU 37 2HD1 LEU 37 -0.942 34.795 19.957 279 HD13 LEU 37 3HD1 LEU 37 -0.453 33.544 18.814 280 HD21 LEU 37 3HD2 LEU 37 1.350 34.168 21.164 281 HD22 LEU 37 1HD2 LEU 37 0.695 35.806 21.169 282 HD23 LEU 37 2HD2 LEU 37 2.397 35.539 20.796 283 H MET 38 H MET 38 4.319 31.771 18.442 284 HA MET 38 HA MET 38 3.564 30.525 16.001 285 HB2 MET 38 1HB MET 38 6.094 29.984 17.549 286 HB3 MET 38 2HB MET 38 5.842 29.856 15.813 287 HG2 MET 38 1HG MET 38 5.421 32.351 15.831 288 HG3 MET 38 2HG MET 38 6.042 32.341 17.480 289 HE1 MET 38 3HE MET 38 8.376 32.858 17.988 290 HE2 MET 38 1HE MET 38 9.511 33.308 16.715 291 HE3 MET 38 2HE MET 38 7.941 34.105 16.819 292 H LYS 39 H LYS 39 3.973 29.406 19.291 293 HA LYS 39 HA LYS 39 3.898 26.617 18.642 294 HB2 LYS 39 1HB LYS 39 4.990 27.281 20.675 295 HB3 LYS 39 2HB LYS 39 3.547 28.114 21.241 296 HG2 LYS 39 1HG LYS 39 3.221 25.246 20.657 297 HG3 LYS 39 2HG LYS 39 4.264 25.646 22.025 298 HD2 LYS 39 1HD LYS 39 2.006 27.306 22.244 299 HD3 LYS 39 2HD LYS 39 1.399 25.696 21.849 300 HE2 LYS 39 1HE LYS 39 1.505 25.673 24.171 301 HE3 LYS 39 2HE LYS 39 3.004 24.879 23.691 302 HZ1 LYS 39 3HZ LYS 39 3.577 26.411 25.356 303 HZ2 LYS 39 1HZ LYS 39 2.647 27.649 24.674 304 HZ3 LYS 39 2HZ LYS 39 4.065 27.137 23.908 305 H LEU 40 H LEU 40 1.543 28.989 19.806 306 HA LEU 40 HA LEU 40 -0.603 27.256 20.240 307 HG LEU 40 HG LEU 40 -2.688 28.290 20.674 308 HB2 LEU 40 1HB LEU 40 -0.210 29.899 20.560 309 HB3 LEU 40 2HB LEU 40 -1.221 29.916 19.116 310 HD11 LEU 40 1HD1 LEU 40 -1.074 30.023 22.510 311 HD12 LEU 40 2HD1 LEU 40 -1.446 28.304 22.643 312 HD13 LEU 40 3HD1 LEU 40 -2.704 29.503 22.936 313 HD21 LEU 40 3HD2 LEU 40 -3.002 31.196 21.189 314 HD22 LEU 40 1HD2 LEU 40 -4.198 29.993 20.707 315 HD23 LEU 40 2HD2 LEU 40 -3.071 30.643 19.514 316 H CYS 41 H CYS 41 0.687 28.613 17.297 317 HA CYS 41 HA CYS 41 -1.576 27.961 15.668 318 HG CYS 41 HG CYS 41 -0.393 28.448 12.330 319 HB2 CYS 41 1HB CYS 41 0.476 29.650 15.315 320 HB3 CYS 41 2HB CYS 41 1.112 28.265 14.437 321 H GLU 42 H GLU 42 1.652 26.537 16.120 322 HA GLU 42 HA GLU 42 1.272 24.377 14.348 323 HB2 GLU 42 1HB GLU 42 3.418 25.347 15.615 324 HB3 GLU 42 2HB GLU 42 3.044 24.022 16.709 325 HG2 GLU 42 1HG GLU 42 2.898 22.744 14.344 326 HG3 GLU 42 2HG GLU 42 4.100 23.975 13.966 327 H GLU 43 H GLU 43 0.433 24.866 17.702 328 HA GLU 43 HA GLU 43 0.051 22.262 18.564 329 HB2 GLU 43 1HB GLU 43 -0.734 24.892 19.418 330 HB3 GLU 43 2HB GLU 43 -2.080 23.781 19.627 331 HG2 GLU 43 1HG GLU 43 0.083 22.372 20.599 332 HG3 GLU 43 2HG GLU 43 0.383 24.025 21.133 333 H ALA 44 H ALA 44 -2.010 24.281 16.558 334 HA ALA 44 HA ALA 44 -4.301 22.620 16.619 335 HB1 ALA 44 3HB ALA 44 -3.695 24.296 14.233 336 HB2 ALA 44 1HB ALA 44 -5.219 24.057 15.089 337 HB3 ALA 44 2HB ALA 44 -3.967 25.087 15.786 338 H ALA 45 H ALA 45 -1.659 22.932 14.252 339 HA ALA 45 HA ALA 45 -2.593 20.889 12.532 340 HB1 ALA 45 3HB ALA 45 -0.981 22.675 11.892 341 HB2 ALA 45 1HB ALA 45 0.250 21.840 12.841 342 HB3 ALA 45 2HB ALA 45 -0.469 21.050 11.437 343 H LYS 46 H LYS 46 -0.779 20.851 15.481 344 HA LYS 46 HA LYS 46 0.512 18.367 15.222 345 HB2 LYS 46 1HB LYS 46 0.417 20.344 17.133 346 HB3 LYS 46 2HB LYS 46 -0.412 19.014 17.930 347 HG2 LYS 46 1HG LYS 46 1.474 17.845 18.201 348 HG3 LYS 46 2HG LYS 46 2.065 18.237 16.585 349 HD2 LYS 46 1HD LYS 46 3.123 20.149 17.288 350 HD3 LYS 46 2HD LYS 46 2.024 20.383 18.651 351 HE2 LYS 46 1HE LYS 46 3.208 19.000 20.016 352 HE3 LYS 46 2HE LYS 46 3.741 17.968 18.691 353 HZ1 LYS 46 3HZ LYS 46 4.937 20.421 19.734 354 HZ2 LYS 46 1HZ LYS 46 5.065 20.142 18.070 355 HZ3 LYS 46 2HZ LYS 46 5.681 19.012 19.167 356 H LYS 47 H LYS 47 -2.692 19.237 16.446 357 HA LYS 47 HA LYS 47 -3.471 16.752 17.433 358 HB2 LYS 47 1HB LYS 47 -4.688 18.965 17.661 359 HB3 LYS 47 2HB LYS 47 -5.308 18.699 16.037 360 HG2 LYS 47 1HG LYS 47 -7.005 17.964 17.466 361 HG3 LYS 47 2HG LYS 47 -6.211 16.489 16.911 362 HD2 LYS 47 1HD LYS 47 -4.854 16.529 19.012 363 HD3 LYS 47 2HD LYS 47 -5.853 17.874 19.566 364 HE2 LYS 47 1HE LYS 47 -7.831 16.271 19.049 365 HE3 LYS 47 2HE LYS 47 -6.601 15.011 19.119 366 HZ1 LYS 47 3HZ LYS 47 -6.001 15.930 21.355 367 HZ2 LYS 47 1HZ LYS 47 -7.522 15.193 21.268 368 HZ3 LYS 47 2HZ LYS 47 -7.399 16.879 21.276 369 H ALA 48 H ALA 48 -3.264 17.925 14.160 370 HA ALA 48 HA ALA 48 -4.890 15.952 12.937 371 HB1 ALA 48 3HB ALA 48 -2.676 17.015 11.330 372 HB2 ALA 48 1HB ALA 48 -4.412 17.014 11.018 373 HB3 ALA 48 2HB ALA 48 -3.707 18.236 12.076 374 H GLU 49 H GLU 49 -1.421 16.154 13.611 375 HA GLU 49 HA GLU 49 -0.757 13.725 12.283 376 HB2 GLU 49 1HB GLU 49 0.658 15.831 13.427 377 HB3 GLU 49 2HB GLU 49 1.056 14.448 14.436 378 HG2 GLU 49 1HG GLU 49 1.165 13.870 11.581 379 HG3 GLU 49 2HG GLU 49 2.288 15.129 12.093 380 H GLU 50 H GLU 50 -1.730 14.562 15.542 381 HA GLU 50 HA GLU 50 -1.042 12.073 16.734 382 HB2 GLU 50 1HB GLU 50 -1.624 14.417 17.799 383 HB3 GLU 50 2HB GLU 50 -3.257 13.766 17.809 384 HG2 GLU 50 1HG GLU 50 -2.833 12.453 19.550 385 HG3 GLU 50 2HG GLU 50 -1.313 11.888 18.860 386 H LEU 51 H LEU 51 -3.850 13.279 15.041 387 HA LEU 51 HA LEU 51 -5.615 11.181 15.816 388 HG LEU 51 HG LEU 51 -7.004 13.321 16.144 389 HB2 LEU 51 1HB LEU 51 -5.663 13.485 14.025 390 HB3 LEU 51 2HB LEU 51 -6.578 12.107 13.418 391 HD11 LEU 51 1HD1 LEU 51 -7.493 14.994 14.458 392 HD12 LEU 51 2HD1 LEU 51 -8.987 14.388 15.172 393 HD13 LEU 51 3HD1 LEU 51 -8.489 13.839 13.572 394 HD21 LEU 51 3HD2 LEU 51 -7.789 10.889 15.111 395 HD22 LEU 51 1HD2 LEU 51 -9.195 11.920 14.846 396 HD23 LEU 51 2HD2 LEU 51 -8.534 11.732 16.471 397 H PHE 52 H PHE 52 -3.237 11.588 13.308 398 HA PHE 52 HA PHE 52 -4.035 9.690 11.455 399 HD1 PHE 52 HD1 PHE 52 -0.371 8.993 9.786 400 HD2 PHE 52 HD2 PHE 52 -3.708 11.625 10.022 401 HE1 PHE 52 HE1 PHE 52 -0.469 9.084 7.329 402 HE2 PHE 52 HE2 PHE 52 -3.812 11.719 7.566 403 HZ PHE 52 HZ PHE 52 -2.192 10.447 6.216 404 HB2 PHE 52 1HB PHE 52 -1.735 11.236 11.929 405 HB3 PHE 52 2HB PHE 52 -1.176 9.570 11.844 406 H LYS 53 H LYS 53 -2.501 9.268 14.573 407 HA LYS 53 HA LYS 53 -1.667 6.610 14.326 408 HB2 LYS 53 1HB LYS 53 -1.323 8.383 16.236 409 HB3 LYS 53 2HB LYS 53 -2.762 7.634 16.916 410 HG2 LYS 53 1HG LYS 53 -1.659 5.483 16.969 411 HG3 LYS 53 2HG LYS 53 -0.233 6.170 16.190 412 HD2 LYS 53 1HD LYS 53 -0.809 7.772 18.447 413 HD3 LYS 53 2HD LYS 53 -0.902 6.088 18.967 414 HE2 LYS 53 1HE LYS 53 1.409 7.404 17.540 415 HE3 LYS 53 2HE LYS 53 1.357 6.939 19.240 416 HZ1 LYS 53 3HZ LYS 53 1.701 5.276 16.870 417 HZ2 LYS 53 1HZ LYS 53 0.799 4.614 18.138 418 HZ3 LYS 53 2HZ LYS 53 2.389 5.124 18.408 419 H LEU 54 H LEU 54 -4.721 7.909 15.621 420 HA LEU 54 HA LEU 54 -5.890 5.337 15.991 421 HG LEU 54 HG LEU 54 -7.378 5.371 17.523 422 HB2 LEU 54 1HB LEU 54 -6.506 7.988 16.673 423 HB3 LEU 54 2HB LEU 54 -7.846 7.420 15.679 424 HD11 LEU 54 1HD1 LEU 54 -6.189 7.569 18.611 425 HD12 LEU 54 2HD1 LEU 54 -6.865 6.222 19.527 426 HD13 LEU 54 3HD1 LEU 54 -7.825 7.679 19.263 427 HD21 LEU 54 3HD2 LEU 54 -9.588 5.701 18.070 428 HD22 LEU 54 1HD2 LEU 54 -9.504 6.485 16.492 429 HD23 LEU 54 2HD2 LEU 54 -9.466 7.457 17.963 430 H ALA 55 H ALA 55 -6.069 7.796 13.463 431 HA ALA 55 HA ALA 55 -8.119 6.650 11.933 432 HB1 ALA 55 3HB ALA 55 -7.285 8.942 11.617 433 HB2 ALA 55 1HB ALA 55 -5.787 8.289 10.951 434 HB3 ALA 55 2HB ALA 55 -7.315 8.027 10.108 435 H GLU 56 H GLU 56 -4.713 5.916 12.172 436 HA GLU 56 HA GLU 56 -4.436 4.424 9.799 437 HB2 GLU 56 1HB GLU 56 -2.614 5.291 11.397 438 HB3 GLU 56 2HB GLU 56 -2.926 3.837 12.334 439 HG2 GLU 56 1HG GLU 56 -2.574 2.658 10.015 440 HG3 GLU 56 2HG GLU 56 -1.684 4.135 9.652 441 H GLU 57 H GLU 57 -5.153 3.402 13.130 442 HA GLU 57 HA GLU 57 -5.498 0.655 12.397 443 HB2 GLU 57 1HB GLU 57 -5.579 2.251 14.851 444 HB3 GLU 57 2HB GLU 57 -6.762 0.950 14.828 445 HG2 GLU 57 1HG GLU 57 -5.063 -0.690 14.509 446 HG3 GLU 57 2HG GLU 57 -3.837 0.552 14.260 447 H ARG 58 H ARG 58 -7.556 3.447 12.641 448 HA ARG 58 HA ARG 58 -10.025 1.994 12.673 449 HE ARG 58 HE ARG 58 -12.116 4.973 15.716 450 HB2 ARG 58 1HB ARG 58 -9.260 4.871 12.325 451 HB3 ARG 58 2HB ARG 58 -10.897 4.351 11.948 452 HG2 ARG 58 1HG ARG 58 -9.588 3.804 14.596 453 HG3 ARG 58 2HG ARG 58 -10.517 5.268 14.265 454 HD2 ARG 58 1HD ARG 58 -12.274 3.441 13.411 455 HD3 ARG 58 2HD ARG 58 -11.424 2.472 14.613 456 HH11 ARG 58 1HH1 ARG 58 -13.543 1.963 14.706 457 HH12 ARG 58 2HH1 ARG 58 -14.866 2.065 15.820 458 HH21 ARG 58 2HH2 ARG 58 -15.042 3.863 17.229 459 HH22 ARG 58 1HH2 ARG 58 -13.854 5.121 17.187 460 H LEU 59 H LEU 59 -8.965 4.344 10.223 461 HA LEU 59 HA LEU 59 -10.565 3.370 8.172 462 HG LEU 59 HG LEU 59 -9.188 6.110 9.322 463 HB2 LEU 59 1HB LEU 59 -7.883 4.694 7.817 464 HB3 LEU 59 2HB LEU 59 -9.221 4.671 6.669 465 HD11 LEU 59 1HD1 LEU 59 -8.641 6.931 6.517 466 HD12 LEU 59 2HD1 LEU 59 -7.879 7.455 8.017 467 HD13 LEU 59 3HD1 LEU 59 -9.477 8.062 7.581 468 HD21 LEU 59 3HD2 LEU 59 -11.331 6.964 8.756 469 HD22 LEU 59 1HD2 LEU 59 -11.411 5.211 8.576 470 HD23 LEU 59 2HD2 LEU 59 -11.269 6.238 7.149 471 H LYS 60 H LYS 60 -7.502 2.240 9.346 472 HA LYS 60 HA LYS 60 -6.172 0.482 8.783 473 HB2 LYS 60 1HB LYS 60 -8.866 -0.410 7.807 474 HB3 LYS 60 2HB LYS 60 -7.450 -1.417 7.542 475 HG2 LYS 60 1HG LYS 60 -7.430 -0.629 10.258 476 HG3 LYS 60 2HG LYS 60 -9.061 -1.180 9.870 477 HD2 LYS 60 1HD LYS 60 -8.153 -3.265 8.980 478 HD3 LYS 60 2HD LYS 60 -6.514 -2.710 9.332 479 HE2 LYS 60 1HE LYS 60 -6.787 -3.815 11.266 480 HE3 LYS 60 2HE LYS 60 -7.722 -2.401 11.750 481 HZ1 LYS 60 3HZ LYS 60 -8.596 -5.047 11.475 482 HZ2 LYS 60 1HZ LYS 60 -9.407 -4.113 10.321 483 HZ3 LYS 60 2HZ LYS 60 -9.489 -3.693 11.957 484 H LYS 61 H LYS 61 -4.911 1.825 7.383 485 HA LYS 61 HA LYS 61 -5.424 2.248 4.667 486 HB2 LYS 61 1HB LYS 61 -3.024 2.358 6.414 487 HB3 LYS 61 2HB LYS 61 -2.744 2.279 4.680 488 HG2 LYS 61 1HG LYS 61 -4.618 4.215 4.779 489 HG3 LYS 61 2HG LYS 61 -3.812 4.464 6.330 490 HD2 LYS 61 1HD LYS 61 -1.809 4.037 4.367 491 HD3 LYS 61 2HD LYS 61 -2.944 5.227 3.729 492 HE2 LYS 61 1HE LYS 61 -2.720 6.324 6.066 493 HE3 LYS 61 2HE LYS 61 -1.255 5.353 6.199 494 HZ1 LYS 61 3HZ LYS 61 -1.074 6.510 3.736 495 HZ2 LYS 61 1HZ LYS 61 -0.256 7.007 5.132 496 HZ3 LYS 61 2HZ LYS 61 -1.717 7.742 4.700 497 H LEU 62 H LEU 62 -5.183 1.040 2.880 498 HA LEU 62 HA LEU 62 -4.888 -0.788 1.560 499 HG LEU 62 HG LEU 62 -2.737 0.891 1.663 500 HB2 LEU 62 1HB LEU 62 -2.512 -1.145 3.377 501 HB3 LEU 62 2HB LEU 62 -2.782 -2.066 1.899 502 HD11 LEU 62 1HD1 LEU 62 -0.840 0.909 2.932 503 HD12 LEU 62 2HD1 LEU 62 -0.147 0.512 1.360 504 HD13 LEU 62 3HD1 LEU 62 -0.429 -0.762 2.547 505 HD21 LEU 62 3HD2 LEU 62 -3.069 -0.187 -0.363 506 HD22 LEU 62 1HD2 LEU 62 -1.949 -1.491 0.030 507 HD23 LEU 62 2HD2 LEU 62 -1.330 0.114 -0.362 508 HA MET 1 HA MET 1 -9.339 47.557 18.636 509 H1 MET 1 1H MET 1 -8.755 49.831 17.495 510 HB2 MET 1 1HB MET 1 -10.873 46.954 16.833 511 HB3 MET 1 2HB MET 1 -10.892 48.690 17.114 512 HG2 MET 1 1HG MET 1 -8.943 48.282 15.162 513 HG3 MET 1 2HG MET 1 -10.281 47.225 14.719 514 HE1 MET 1 3HE MET 1 -8.624 50.221 14.642 515 HE2 MET 1 1HE MET 1 -9.493 50.886 13.259 516 HE3 MET 1 2HE MET 1 -9.728 51.578 14.863 517 H LYS 2 H LYS 2 -6.575 47.334 18.013 518 HA LYS 2 HA LYS 2 -5.029 45.743 17.509 519 HB2 LYS 2 1HB LYS 2 -7.330 43.852 17.027 520 HB3 LYS 2 2HB LYS 2 -5.687 43.451 17.512 521 HG2 LYS 2 1HG LYS 2 -6.527 43.334 19.573 522 HG3 LYS 2 2HG LYS 2 -6.488 45.099 19.535 523 HD2 LYS 2 1HD LYS 2 -8.743 45.278 19.259 524 HD3 LYS 2 2HD LYS 2 -8.862 43.764 18.360 525 HE2 LYS 2 1HE LYS 2 -9.893 43.211 20.346 526 HE3 LYS 2 2HE LYS 2 -8.239 42.680 20.645 527 HZ1 LYS 2 3HZ LYS 2 -9.705 44.931 21.798 528 HZ2 LYS 2 1HZ LYS 2 -8.042 45.125 21.554 529 HZ3 LYS 2 2HZ LYS 2 -8.612 43.865 22.528 530 H LYS 3 H LYS 3 -4.171 44.403 15.729 531 HA LYS 3 HA LYS 3 -5.493 44.827 13.150 532 HB2 LYS 3 1HB LYS 3 -2.582 45.492 13.613 533 HB3 LYS 3 2HB LYS 3 -3.487 45.692 12.119 534 HG2 LYS 3 1HG LYS 3 -3.625 47.822 12.824 535 HG3 LYS 3 2HG LYS 3 -4.987 47.198 13.757 536 HD2 LYS 3 1HD LYS 3 -3.032 46.663 15.488 537 HD3 LYS 3 2HD LYS 3 -2.281 48.024 14.651 538 HE2 LYS 3 1HE LYS 3 -4.187 49.426 15.149 539 HE3 LYS 3 2HE LYS 3 -5.036 48.064 15.878 540 HZ1 LYS 3 3HZ LYS 3 -3.904 49.655 17.451 541 HZ2 LYS 3 1HZ LYS 3 -2.431 49.031 16.899 542 HZ3 LYS 3 2HZ LYS 3 -3.543 48.017 17.670 543 H LEU 4 H LEU 4 -2.829 43.311 14.922 544 HA LEU 4 HA LEU 4 -2.584 41.237 12.891 545 HG LEU 4 HG LEU 4 -1.772 41.934 16.381 546 HB2 LEU 4 1HB LEU 4 -0.738 40.411 14.343 547 HB3 LEU 4 2HB LEU 4 -0.521 42.053 13.742 548 HD11 LEU 4 1HD1 LEU 4 0.445 41.426 17.482 549 HD12 LEU 4 2HD1 LEU 4 0.956 40.750 15.936 550 HD13 LEU 4 3HD1 LEU 4 -0.415 40.048 16.796 551 HD21 LEU 4 3HD2 LEU 4 -0.757 43.917 16.589 552 HD22 LEU 4 1HD2 LEU 4 -0.436 43.774 14.860 553 HD23 LEU 4 2HD2 LEU 4 0.793 43.290 16.028 554 H ARG 5 H ARG 5 -3.757 41.681 16.164 555 HA ARG 5 HA ARG 5 -4.097 38.946 16.802 556 HE ARG 5 HE ARG 5 -1.968 41.535 20.465 557 HB2 ARG 5 1HB ARG 5 -5.447 41.432 17.863 558 HB3 ARG 5 2HB ARG 5 -5.693 39.826 18.538 559 HG2 ARG 5 1HG ARG 5 -3.977 40.244 19.878 560 HG3 ARG 5 2HG ARG 5 -2.938 40.116 18.458 561 HD2 ARG 5 1HD ARG 5 -3.126 42.499 18.068 562 HD3 ARG 5 2HD ARG 5 -4.257 42.654 19.410 563 HH11 ARG 5 1HH1 ARG 5 -2.836 44.477 18.819 564 HH12 ARG 5 2HH1 ARG 5 -1.616 45.428 19.600 565 HH21 ARG 5 2HH2 ARG 5 -0.206 44.458 21.123 566 HH22 ARG 5 1HH2 ARG 5 -0.357 42.775 21.499 567 H GLU 6 H GLU 6 -6.217 41.359 15.328 568 HA GLU 6 HA GLU 6 -8.524 39.702 15.253 569 HB2 GLU 6 1HB GLU 6 -8.388 42.259 15.042 570 HB3 GLU 6 2HB GLU 6 -7.979 41.974 13.355 571 HG2 GLU 6 1HG GLU 6 -10.276 42.359 13.350 572 HG3 GLU 6 2HG GLU 6 -10.120 40.607 13.233 573 H GLU 7 H GLU 7 -5.785 40.158 13.139 574 HA GLU 7 HA GLU 7 -6.922 38.868 10.862 575 HB2 GLU 7 1HB GLU 7 -4.329 40.002 11.618 576 HB3 GLU 7 2HB GLU 7 -4.199 38.593 10.575 577 HG2 GLU 7 1HG GLU 7 -4.238 40.469 9.157 578 HG3 GLU 7 2HG GLU 7 -5.828 39.721 9.029 579 H ALA 8 H ALA 8 -4.538 37.819 13.294 580 HA ALA 8 HA ALA 8 -4.150 35.225 12.420 581 HB1 ALA 8 3HB ALA 8 -4.058 36.435 15.164 582 HB2 ALA 8 1HB ALA 8 -3.684 34.735 14.882 583 HB3 ALA 8 2HB ALA 8 -2.719 35.990 14.106 584 H ALA 9 H ALA 9 -6.597 36.427 14.703 585 HA ALA 9 HA ALA 9 -7.799 34.006 15.346 586 HB1 ALA 9 3HB ALA 9 -9.884 35.839 15.287 587 HB2 ALA 9 1HB ALA 9 -8.845 35.461 16.662 588 HB3 ALA 9 2HB ALA 9 -8.446 36.811 15.600 589 H LYS 10 H LYS 10 -8.082 35.965 12.475 590 HA LYS 10 HA LYS 10 -10.431 34.676 11.466 591 HB2 LYS 10 1HB LYS 10 -8.691 36.840 10.676 592 HB3 LYS 10 2HB LYS 10 -9.018 35.787 9.307 593 HG2 LYS 10 1HG LYS 10 -11.081 36.574 9.087 594 HG3 LYS 10 2HG LYS 10 -11.425 36.349 10.805 595 HD2 LYS 10 1HD LYS 10 -11.649 38.661 10.426 596 HD3 LYS 10 2HD LYS 10 -10.071 38.470 11.192 597 HE2 LYS 10 1HE LYS 10 -9.629 39.929 9.440 598 HE3 LYS 10 2HE LYS 10 -9.166 38.362 8.777 599 HZ1 LYS 10 3HZ LYS 10 -11.057 40.175 7.788 600 HZ2 LYS 10 1HZ LYS 10 -11.878 38.767 8.240 601 HZ3 LYS 10 2HZ LYS 10 -10.598 38.682 7.139 602 H LEU 11 H LEU 11 -6.959 34.264 11.042 603 HA LEU 11 HA LEU 11 -6.957 32.508 8.883 604 HG LEU 11 HG LEU 11 -5.122 34.328 8.959 605 HB2 LEU 11 1HB LEU 11 -5.124 32.967 11.192 606 HB3 LEU 11 2HB LEU 11 -4.841 31.591 10.126 607 HD11 LEU 11 1HD1 LEU 11 -2.467 34.159 9.158 608 HD12 LEU 11 2HD1 LEU 11 -2.910 33.343 10.658 609 HD13 LEU 11 3HD1 LEU 11 -3.465 34.989 10.352 610 HD21 LEU 11 3HD2 LEU 11 -3.099 32.898 7.722 611 HD22 LEU 11 1HD2 LEU 11 -4.754 33.093 7.145 612 HD23 LEU 11 2HD2 LEU 11 -4.316 31.679 8.104 613 H PHE 12 H PHE 12 -7.632 31.945 12.270 614 HA PHE 12 HA PHE 12 -7.432 29.146 12.295 615 HD1 PHE 12 HD1 PHE 12 -6.062 31.329 13.605 616 HD2 PHE 12 HD2 PHE 12 -8.244 28.634 16.074 617 HE1 PHE 12 HE1 PHE 12 -4.092 31.068 15.056 618 HE2 PHE 12 HE2 PHE 12 -6.278 28.370 17.529 619 HZ PHE 12 HZ PHE 12 -4.199 29.587 17.021 620 HB2 PHE 12 1HB PHE 12 -8.854 31.169 13.974 621 HB3 PHE 12 2HB PHE 12 -9.243 29.465 14.188 622 H GLU 13 H GLU 13 -10.059 31.301 11.383 623 HA GLU 13 HA GLU 13 -12.084 29.350 11.180 624 HB2 GLU 13 1HB GLU 13 -11.922 32.102 10.863 625 HB3 GLU 13 2HB GLU 13 -12.333 31.523 9.255 626 HG2 GLU 13 1HG GLU 13 -14.291 30.420 10.087 627 HG3 GLU 13 2HG GLU 13 -13.845 30.795 11.751 628 H GLU 14 H GLU 14 -9.564 30.395 8.989 629 HA GLU 14 HA GLU 14 -10.491 29.404 6.577 630 HB2 GLU 14 1HB GLU 14 -7.644 29.366 7.595 631 HB3 GLU 14 2HB GLU 14 -8.132 29.219 5.912 632 HG2 GLU 14 1HG GLU 14 -8.957 31.610 7.493 633 HG3 GLU 14 2HG GLU 14 -7.324 31.502 6.838 634 H TRP 15 H TRP 15 -8.740 27.704 9.146 635 HA TRP 15 HA TRP 15 -8.404 25.250 7.877 636 HD1 TRP 15 HD1 TRP 15 -6.347 26.395 8.156 637 HE1 TRP 15 HE1 TRP 15 -4.373 27.618 9.267 638 HE3 TRP 15 HE3 TRP 15 -7.727 25.885 13.052 639 HZ2 TRP 15 HZ2 TRP 15 -3.514 28.279 11.873 640 HZ3 TRP 15 HZ3 TRP 15 -6.275 26.840 14.793 641 HH2 TRP 15 HH2 TRP 15 -4.212 28.011 14.213 642 HB2 TRP 15 1HB TRP 15 -8.968 25.623 10.823 643 HB3 TRP 15 2HB TRP 15 -8.078 24.306 10.065 644 H LYS 16 H LYS 16 -11.109 26.402 9.869 645 HA LYS 16 HA LYS 16 -12.628 24.047 9.804 646 HB2 LYS 16 1HB LYS 16 -12.890 26.468 11.018 647 HB3 LYS 16 2HB LYS 16 -14.140 26.579 9.786 648 HG2 LYS 16 1HG LYS 16 -15.369 24.848 10.683 649 HG3 LYS 16 2HG LYS 16 -13.977 24.153 11.516 650 HD2 LYS 16 1HD LYS 16 -15.017 25.105 13.304 651 HD3 LYS 16 2HD LYS 16 -14.057 26.491 12.780 652 HE2 LYS 16 1HE LYS 16 -16.098 27.494 12.953 653 HE3 LYS 16 2HE LYS 16 -16.192 26.939 11.282 654 HZ1 LYS 16 3HZ LYS 16 -18.178 26.455 12.716 655 HZ2 LYS 16 1HZ LYS 16 -17.219 25.342 13.557 656 HZ3 LYS 16 2HZ LYS 16 -17.526 25.119 11.908 657 H LYS 17 H LYS 17 -12.207 26.592 7.469 658 HA LYS 17 HA LYS 17 -14.479 26.183 5.885 659 HB2 LYS 17 1HB LYS 17 -12.294 27.853 5.799 660 HB3 LYS 17 2HB LYS 17 -12.042 26.833 4.389 661 HG2 LYS 17 1HG LYS 17 -14.159 27.457 3.473 662 HG3 LYS 17 2HG LYS 17 -14.601 28.315 4.952 663 HD2 LYS 17 1HD LYS 17 -12.600 29.799 4.543 664 HD3 LYS 17 2HD LYS 17 -12.472 29.048 2.951 665 HE2 LYS 17 1HE LYS 17 -15.144 29.757 3.154 666 HE3 LYS 17 2HE LYS 17 -14.286 31.105 3.898 667 HZ1 LYS 17 3HZ LYS 17 -14.122 30.106 1.134 668 HZ2 LYS 17 1HZ LYS 17 -12.812 30.943 1.803 669 HZ3 LYS 17 2HZ LYS 17 -14.324 31.691 1.687 670 H LEU 18 H LEU 18 -11.213 24.798 5.567 671 HA LEU 18 HA LEU 18 -11.898 23.113 3.384 672 HG LEU 18 HG LEU 18 -9.443 25.020 4.255 673 HB2 LEU 18 1HB LEU 18 -9.620 22.844 5.341 674 HB3 LEU 18 2HB LEU 18 -9.743 22.057 3.768 675 HD11 LEU 18 1HD1 LEU 18 -7.334 24.212 4.638 676 HD12 LEU 18 2HD1 LEU 18 -7.285 24.431 2.889 677 HD13 LEU 18 3HD1 LEU 18 -7.549 22.825 3.569 678 HD21 LEU 18 3HD2 LEU 18 -10.530 25.085 2.270 679 HD22 LEU 18 1HD2 LEU 18 -10.119 23.419 1.864 680 HD23 LEU 18 2HD2 LEU 18 -8.924 24.699 1.649 681 H ALA 19 H ALA 19 -11.983 22.759 6.859 682 HA ALA 19 HA ALA 19 -12.165 19.973 7.051 683 HB1 ALA 19 3HB ALA 19 -13.338 20.430 9.216 684 HB2 ALA 19 1HB ALA 19 -11.792 21.256 9.023 685 HB3 ALA 19 2HB ALA 19 -13.300 22.144 8.803 686 H GLU 20 H GLU 20 -14.702 22.422 6.638 687 HA GLU 20 HA GLU 20 -16.893 20.664 6.763 688 HB2 GLU 20 1HB GLU 20 -17.008 23.159 6.928 689 HB3 GLU 20 2HB GLU 20 -16.721 23.242 5.195 690 HG2 GLU 20 1HG GLU 20 -18.919 23.179 4.943 691 HG3 GLU 20 2HG GLU 20 -18.839 21.484 5.426 692 H GLU 21 H GLU 21 -14.959 21.819 4.029 693 HA GLU 21 HA GLU 21 -16.483 20.587 2.003 694 HB2 GLU 21 1HB GLU 21 -13.937 21.981 2.216 695 HB3 GLU 21 2HB GLU 21 -13.872 20.667 1.051 696 HG2 GLU 21 1HG GLU 21 -14.991 21.852 -0.443 697 HG3 GLU 21 2HG GLU 21 -16.289 22.171 0.705 698 H ALA 22 H ALA 22 -13.961 19.416 4.111 699 HA ALA 22 HA ALA 22 -13.350 17.050 2.661 700 HB1 ALA 22 3HB ALA 22 -11.737 16.888 4.177 701 HB2 ALA 22 1HB ALA 22 -12.383 18.333 4.956 702 HB3 ALA 22 2HB ALA 22 -12.914 16.734 5.482 703 H ALA 23 H ALA 23 -15.776 17.890 5.035 704 HA ALA 23 HA ALA 23 -16.574 15.388 5.916 705 HB1 ALA 23 3HB ALA 23 -17.416 17.872 6.423 706 HB2 ALA 23 1HB ALA 23 -18.721 17.347 5.358 707 HB3 ALA 23 2HB ALA 23 -18.363 16.440 6.828 708 H LYS 24 H LYS 24 -17.158 16.968 2.859 709 HA LYS 24 HA LYS 24 -19.253 15.248 1.987 710 HB2 LYS 24 1HB LYS 24 -18.399 17.606 1.104 711 HB3 LYS 24 2HB LYS 24 -17.457 16.589 0.021 712 HG2 LYS 24 1HG LYS 24 -19.759 15.430 -0.415 713 HG3 LYS 24 2HG LYS 24 -20.409 16.954 0.193 714 HD2 LYS 24 1HD LYS 24 -18.733 18.019 -1.500 715 HD3 LYS 24 2HD LYS 24 -18.784 16.427 -2.260 716 HE2 LYS 24 1HE LYS 24 -21.431 16.931 -1.847 717 HE3 LYS 24 2HE LYS 24 -20.808 18.547 -2.175 718 HZ1 LYS 24 3HZ LYS 24 -19.714 16.717 -4.019 719 HZ2 LYS 24 1HZ LYS 24 -20.694 18.063 -4.317 720 HZ3 LYS 24 2HZ LYS 24 -21.398 16.555 -4.014 721 H LEU 25 H LEU 25 -15.762 15.135 1.850 722 HA LEU 25 HA LEU 25 -15.606 13.027 -0.072 723 HG LEU 25 HG LEU 25 -13.926 13.694 -1.199 724 HB2 LEU 25 1HB LEU 25 -13.775 14.616 1.528 725 HB3 LEU 25 2HB LEU 25 -13.275 12.930 1.414 726 HD11 LEU 25 1HD1 LEU 25 -13.882 16.006 -0.726 727 HD12 LEU 25 2HD1 LEU 25 -12.324 15.630 -1.462 728 HD13 LEU 25 3HD1 LEU 25 -12.444 15.850 0.284 729 HD21 LEU 25 3HD2 LEU 25 -11.292 13.701 -1.288 730 HD22 LEU 25 1HD2 LEU 25 -12.196 12.212 -1.011 731 HD23 LEU 25 2HD2 LEU 25 -11.464 13.064 0.348 732 H LEU 26 H LEU 26 -15.860 13.202 3.410 733 HA LEU 26 HA LEU 26 -15.240 10.427 3.837 734 HG LEU 26 HG LEU 26 -14.320 12.136 6.976 735 HB2 LEU 26 1HB LEU 26 -16.103 12.719 5.513 736 HB3 LEU 26 2HB LEU 26 -16.418 11.096 6.123 737 HD11 LEU 26 1HD1 LEU 26 -14.085 9.926 7.303 738 HD12 LEU 26 2HD1 LEU 26 -12.908 10.050 5.997 739 HD13 LEU 26 3HD1 LEU 26 -14.555 9.523 5.652 740 HD21 LEU 26 3HD2 LEU 26 -12.395 12.283 5.499 741 HD22 LEU 26 1HD2 LEU 26 -13.695 13.332 4.929 742 HD23 LEU 26 2HD2 LEU 26 -13.389 11.790 4.128 743 H GLU 27 H GLU 27 -18.090 12.314 3.215 744 HA GLU 27 HA GLU 27 -19.943 10.289 4.070 745 HB2 GLU 27 1HB GLU 27 -20.122 12.975 2.818 746 HB3 GLU 27 2HB GLU 27 -21.466 11.878 2.535 747 HG2 GLU 27 1HG GLU 27 -20.845 11.773 5.292 748 HG3 GLU 27 2HG GLU 27 -20.914 13.470 4.818 749 H GLY 28 H GLY 28 -18.283 11.122 1.131 750 HA2 GLY 28 1HA GLY 28 -19.933 9.878 -0.757 751 HA3 GLY 28 2HA GLY 28 -18.197 10.103 -0.922 752 H GLY 29 H GLY 29 -17.796 8.502 1.606 753 HA2 GLY 29 1HA GLY 29 -17.836 5.897 0.272 754 HA3 GLY 29 2HA GLY 29 -16.890 6.321 1.691 755 H GLY 30 H GLY 30 -20.231 5.784 0.607 756 HA2 GLY 30 1HA GLY 30 -21.696 4.254 1.686 757 HA3 GLY 30 2HA GLY 30 -20.739 4.416 3.152 758 H GLY 31 H GLY 31 -22.351 4.965 4.556 759 HA2 GLY 31 1HA GLY 31 -23.082 7.242 5.435 760 HA3 GLY 31 2HA GLY 31 -23.921 7.374 3.897 761 H GLY 32 H GLY 32 -23.806 5.672 6.968 762 HA2 GLY 32 1HA GLY 32 -26.441 4.493 6.406 763 HA3 GLY 32 2HA GLY 32 -25.347 3.988 7.685 764 H GLY 33 H GLY 33 -27.002 4.141 9.240 765 HA2 GLY 33 1HA GLY 33 -28.432 6.593 9.655 766 HA3 GLY 33 2HA GLY 33 -28.428 5.195 10.720 767 H GLY 34 H GLY 34 -25.371 5.378 10.672 768 HA2 GLY 34 1HA GLY 34 -25.224 7.381 12.823 769 HA3 GLY 34 2HA GLY 34 -24.142 6.009 12.631 770 H GLY 35 H GLY 35 -22.631 6.061 10.809 771 HA2 GLY 35 1HA GLY 35 -21.217 7.134 9.311 772 HA3 GLY 35 2HA GLY 35 -22.176 8.595 9.497 773 H GLU 36 H GLU 36 -19.847 6.561 11.251 774 HA GLU 36 HA GLU 36 -19.125 8.631 13.077 775 HB2 GLU 36 1HB GLU 36 -18.827 6.370 13.787 776 HB3 GLU 36 2HB GLU 36 -17.852 5.988 12.375 777 HG2 GLU 36 1HG GLU 36 -16.103 7.506 13.190 778 HG3 GLU 36 2HG GLU 36 -17.075 7.829 14.626 779 H LEU 37 H LEU 37 -18.031 7.636 9.932 780 HA LEU 37 HA LEU 37 -15.480 8.788 9.906 781 HG LEU 37 HG LEU 37 -15.786 6.656 6.900 782 HB2 LEU 37 1HB LEU 37 -17.488 8.071 7.828 783 HB3 LEU 37 2HB LEU 37 -16.105 9.060 7.360 784 HD11 LEU 37 1HD1 LEU 37 -14.022 8.273 8.623 785 HD12 LEU 37 2HD1 LEU 37 -13.718 7.540 7.048 786 HD13 LEU 37 3HD1 LEU 37 -13.638 6.555 8.509 787 HD21 LEU 37 3HD2 LEU 37 -15.575 5.057 8.646 788 HD22 LEU 37 1HD2 LEU 37 -17.110 5.890 8.891 789 HD23 LEU 37 2HD2 LEU 37 -15.715 6.300 9.889 790 H MET 38 H MET 38 -18.650 10.200 9.595 791 HA MET 38 HA MET 38 -17.839 12.683 8.483 792 HB2 MET 38 1HB MET 38 -20.266 12.198 10.209 793 HB3 MET 38 2HB MET 38 -20.046 13.458 9.003 794 HG2 MET 38 1HG MET 38 -19.990 11.751 7.245 795 HG3 MET 38 2HG MET 38 -20.251 10.505 8.463 796 HE1 MET 38 3HE MET 38 -23.455 9.732 7.994 797 HE2 MET 38 1HE MET 38 -23.147 10.359 6.375 798 HE3 MET 38 2HE MET 38 -21.857 9.555 7.268 799 H LYS 39 H LYS 39 -18.426 11.587 11.803 800 HA LYS 39 HA LYS 39 -17.774 14.136 12.952 801 HB2 LYS 39 1HB LYS 39 -17.982 13.002 15.097 802 HB3 LYS 39 2HB LYS 39 -19.333 12.580 14.052 803 HG2 LYS 39 1HG LYS 39 -18.432 10.428 13.615 804 HG3 LYS 39 2HG LYS 39 -16.897 10.849 14.377 805 HD2 LYS 39 1HD LYS 39 -17.702 9.990 16.268 806 HD3 LYS 39 2HD LYS 39 -18.830 11.345 16.325 807 HE2 LYS 39 1HE LYS 39 -20.036 9.635 14.551 808 HE3 LYS 39 2HE LYS 39 -19.302 8.528 15.709 809 HZ1 LYS 39 3HZ LYS 39 -20.559 10.670 17.062 810 HZ2 LYS 39 1HZ LYS 39 -20.867 9.011 17.178 811 HZ3 LYS 39 2HZ LYS 39 -21.659 9.938 16.005 812 H LEU 40 H LEU 40 -16.051 11.211 12.167 813 HA LEU 40 HA LEU 40 -13.808 11.459 13.789 814 HG LEU 40 HG LEU 40 -12.464 9.679 13.635 815 HB2 LEU 40 1HB LEU 40 -14.574 9.668 11.982 816 HB3 LEU 40 2HB LEU 40 -13.434 10.566 10.982 817 HD11 LEU 40 1HD1 LEU 40 -13.239 7.812 11.429 818 HD12 LEU 40 2HD1 LEU 40 -13.486 7.651 13.167 819 HD13 LEU 40 3HD1 LEU 40 -11.873 7.448 12.483 820 HD21 LEU 40 3HD2 LEU 40 -11.095 10.939 11.991 821 HD22 LEU 40 1HD2 LEU 40 -11.241 9.576 10.881 822 HD23 LEU 40 2HD2 LEU 40 -10.411 9.372 12.424 823 H CYS 41 H CYS 41 -14.391 12.805 10.552 824 HA CYS 41 HA CYS 41 -11.874 14.157 10.450 825 HG CYS 41 HG CYS 41 -12.317 14.623 6.544 826 HB2 CYS 41 1HB CYS 41 -13.973 13.584 8.645 827 HB3 CYS 41 2HB CYS 41 -13.818 15.336 8.691 828 H GLU 42 H GLU 42 -15.178 15.076 11.278 829 HA GLU 42 HA GLU 42 -14.758 17.851 11.467 830 HB2 GLU 42 1HB GLU 42 -16.962 16.452 11.499 831 HB3 GLU 42 2HB GLU 42 -16.705 16.415 13.238 832 HG2 GLU 42 1HG GLU 42 -16.649 19.016 11.776 833 HG3 GLU 42 2HG GLU 42 -18.188 18.260 12.185 834 H GLU 43 H GLU 43 -14.106 15.223 13.664 835 HA GLU 43 HA GLU 43 -13.896 16.553 16.083 836 HB2 GLU 43 1HB GLU 43 -13.255 14.010 15.106 837 HB3 GLU 43 2HB GLU 43 -11.751 14.634 15.771 838 HG2 GLU 43 1HG GLU 43 -14.345 14.625 17.287 839 HG3 GLU 43 2HG GLU 43 -13.176 13.307 17.349 840 H ALA 44 H ALA 44 -11.592 16.358 13.428 841 HA ALA 44 HA ALA 44 -9.398 17.533 14.752 842 HB1 ALA 44 3HB ALA 44 -9.216 18.224 12.042 843 HB2 ALA 44 1HB ALA 44 -8.455 16.860 12.861 844 HB3 ALA 44 2HB ALA 44 -10.032 16.662 12.095 845 H ALA 45 H ALA 45 -11.943 18.934 12.707 846 HA ALA 45 HA ALA 45 -10.972 21.596 12.871 847 HB1 ALA 45 3HB ALA 45 -12.723 20.422 11.253 848 HB2 ALA 45 1HB ALA 45 -13.860 21.120 12.406 849 HB3 ALA 45 2HB ALA 45 -12.728 22.161 11.542 850 H LYS 46 H LYS 46 -12.976 19.638 14.917 851 HA LYS 46 HA LYS 46 -14.326 21.634 16.348 852 HB2 LYS 46 1HB LYS 46 -14.293 18.905 16.398 853 HB3 LYS 46 2HB LYS 46 -13.479 19.287 17.909 854 HG2 LYS 46 1HG LYS 46 -15.349 20.471 18.730 855 HG3 LYS 46 2HG LYS 46 -16.122 20.492 17.144 856 HD2 LYS 46 1HD LYS 46 -16.882 18.361 17.338 857 HD3 LYS 46 2HD LYS 46 -15.483 17.833 18.274 858 HE2 LYS 46 1HE LYS 46 -16.352 18.787 20.268 859 HE3 LYS 46 2HE LYS 46 -17.612 19.647 19.386 860 HZ1 LYS 46 3HZ LYS 46 -18.832 17.895 20.069 861 HZ2 LYS 46 1HZ LYS 46 -17.501 16.861 20.218 862 HZ3 LYS 46 2HZ LYS 46 -18.177 17.155 18.696 863 H LYS 47 H LYS 47 -11.130 20.204 16.793 864 HA LYS 47 HA LYS 47 -10.496 21.328 19.270 865 HB2 LYS 47 1HB LYS 47 -9.187 19.565 18.053 866 HB3 LYS 47 2HB LYS 47 -8.567 20.827 16.996 867 HG2 LYS 47 1HG LYS 47 -6.883 20.960 18.448 868 HG3 LYS 47 2HG LYS 47 -8.020 21.835 19.477 869 HD2 LYS 47 1HD LYS 47 -8.063 18.871 19.602 870 HD3 LYS 47 2HD LYS 47 -6.679 19.696 20.324 871 HE2 LYS 47 1HE LYS 47 -9.452 20.621 20.943 872 HE3 LYS 47 2HE LYS 47 -8.805 19.196 21.755 873 HZ1 LYS 47 3HZ LYS 47 -6.812 21.053 21.950 874 HZ2 LYS 47 1HZ LYS 47 -7.891 20.616 23.178 875 HZ3 LYS 47 2HZ LYS 47 -8.221 21.955 22.201 876 H ALA 48 H ALA 48 -10.408 22.683 16.040 877 HA ALA 48 HA ALA 48 -8.851 24.959 16.565 878 HB1 ALA 48 3HB ALA 48 -9.300 25.537 14.436 879 HB2 ALA 48 1HB ALA 48 -9.971 23.909 14.344 880 HB3 ALA 48 2HB ALA 48 -11.036 25.288 14.623 881 H GLU 49 H GLU 49 -12.346 24.417 16.795 882 HA GLU 49 HA GLU 49 -12.974 27.095 17.517 883 HB2 GLU 49 1HB GLU 49 -14.568 24.577 18.027 884 HB3 GLU 49 2HB GLU 49 -15.182 26.224 18.082 885 HG2 GLU 49 1HG GLU 49 -13.887 25.505 15.559 886 HG3 GLU 49 2HG GLU 49 -15.330 24.568 15.934 887 H GLU 50 H GLU 50 -12.115 24.211 19.308 888 HA GLU 50 HA GLU 50 -12.860 25.199 21.873 889 HB2 GLU 50 1HB GLU 50 -12.479 22.766 21.184 890 HB3 GLU 50 2HB GLU 50 -10.762 23.102 21.349 891 HG2 GLU 50 1HG GLU 50 -11.156 23.760 23.697 892 HG3 GLU 50 2HG GLU 50 -12.845 23.293 23.511 893 H LEU 51 H LEU 51 -10.016 25.466 19.877 894 HA LEU 51 HA LEU 51 -8.233 26.322 21.920 895 HG LEU 51 HG LEU 51 -6.114 25.948 21.246 896 HB2 LEU 51 1HB LEU 51 -8.164 25.885 19.081 897 HB3 LEU 51 2HB LEU 51 -7.390 27.417 19.478 898 HD11 LEU 51 1HD1 LEU 51 -6.669 23.893 19.121 899 HD12 LEU 51 2HD1 LEU 51 -7.518 23.939 20.665 900 HD13 LEU 51 3HD1 LEU 51 -5.773 23.690 20.627 901 HD21 LEU 51 3HD2 LEU 51 -4.335 25.626 19.627 902 HD22 LEU 51 1HD2 LEU 51 -5.108 27.192 19.381 903 HD23 LEU 51 2HD2 LEU 51 -5.474 25.848 18.299 904 H PHE 52 H PHE 52 -10.595 27.914 19.926 905 HA PHE 52 HA PHE 52 -9.727 30.551 20.051 906 HD1 PHE 52 HD1 PHE 52 -11.557 29.373 17.100 907 HD2 PHE 52 HD2 PHE 52 -11.647 32.833 19.577 908 HE1 PHE 52 HE1 PHE 52 -11.272 30.797 15.114 909 HE2 PHE 52 HE2 PHE 52 -11.363 34.263 17.595 910 HZ PHE 52 HZ PHE 52 -11.177 33.246 15.360 911 HB2 PHE 52 1HB PHE 52 -12.141 29.169 19.349 912 HB3 PHE 52 2HB PHE 52 -12.547 30.584 20.313 913 H LYS 53 H LYS 53 -11.348 28.586 22.452 914 HA LYS 53 HA LYS 53 -12.162 30.603 24.218 915 HB2 LYS 53 1HB LYS 53 -12.484 27.943 24.176 916 HB3 LYS 53 2HB LYS 53 -11.184 28.037 25.356 917 HG2 LYS 53 1HG LYS 53 -13.013 29.993 26.131 918 HG3 LYS 53 2HG LYS 53 -13.987 28.595 25.669 919 HD2 LYS 53 1HD LYS 53 -12.946 27.208 27.249 920 HD3 LYS 53 2HD LYS 53 -11.595 28.324 27.465 921 HE2 LYS 53 1HE LYS 53 -12.657 29.243 29.184 922 HE3 LYS 53 2HE LYS 53 -13.954 29.740 28.099 923 HZ1 LYS 53 3HZ LYS 53 -14.021 27.798 30.128 924 HZ2 LYS 53 1HZ LYS 53 -14.312 27.033 28.647 925 HZ3 LYS 53 2HZ LYS 53 -15.284 28.329 29.135 926 H LEU 54 H LEU 54 -9.133 28.750 24.079 927 HA LEU 54 HA LEU 54 -7.969 30.178 26.281 928 HG LEU 54 HG LEU 54 -6.029 27.106 26.471 929 HB2 LEU 54 1HB LEU 54 -7.306 27.910 24.621 930 HB3 LEU 54 2HB LEU 54 -5.914 28.969 24.835 931 HD11 LEU 54 1HD1 LEU 54 -6.355 29.358 28.270 932 HD12 LEU 54 2HD1 LEU 54 -5.355 29.752 26.873 933 HD13 LEU 54 3HD1 LEU 54 -4.924 28.393 27.911 934 HD21 LEU 54 3HD2 LEU 54 -8.208 28.512 27.921 935 HD22 LEU 54 1HD2 LEU 54 -7.742 26.812 27.948 936 HD23 LEU 54 2HD2 LEU 54 -8.648 27.455 26.579 937 H ALA 55 H ALA 55 -7.748 30.307 22.764 938 HA ALA 55 HA ALA 55 -5.601 32.071 22.514 939 HB1 ALA 55 3HB ALA 55 -6.477 30.900 20.601 940 HB2 ALA 55 1HB ALA 55 -8.023 31.739 20.749 941 HB3 ALA 55 2HB ALA 55 -6.570 32.636 20.306 942 H GLU 56 H GLU 56 -8.900 32.637 23.445 943 HA GLU 56 HA GLU 56 -9.054 35.396 22.907 944 HB2 GLU 56 1HB GLU 56 -10.533 33.476 24.630 945 HB3 GLU 56 2HB GLU 56 -10.716 35.186 24.992 946 HG2 GLU 56 1HG GLU 56 -11.288 35.488 22.536 947 HG3 GLU 56 2HG GLU 56 -11.429 33.732 22.469 948 H GLU 57 H GLU 57 -8.025 33.610 25.792 949 HA GLU 57 HA GLU 57 -7.469 35.997 27.287 950 HB2 GLU 57 1HB GLU 57 -7.868 33.344 27.935 951 HB3 GLU 57 2HB GLU 57 -6.144 33.558 28.204 952 HG2 GLU 57 1HG GLU 57 -6.482 34.710 30.070 953 HG3 GLU 57 2HG GLU 57 -7.689 35.742 29.307 954 H ARG 58 H ARG 58 -5.715 33.916 25.137 955 HA ARG 58 HA ARG 58 -3.093 34.653 25.941 956 HE ARG 58 HE ARG 58 -1.854 29.795 25.896 957 HB2 ARG 58 1HB ARG 58 -4.115 33.561 23.314 958 HB3 ARG 58 2HB ARG 58 -2.416 33.718 23.736 959 HG2 ARG 58 1HG ARG 58 -4.188 32.189 25.567 960 HG3 ARG 58 2HG ARG 58 -3.707 31.448 24.039 961 HD2 ARG 58 1HD ARG 58 -1.402 31.616 24.587 962 HD3 ARG 58 2HD ARG 58 -1.740 32.657 25.970 963 HH11 ARG 58 1HH1 ARG 58 -3.110 32.648 27.446 964 HH12 ARG 58 2HH1 ARG 58 -3.520 31.827 28.915 965 HH21 ARG 58 2HH2 ARG 58 -3.109 29.583 29.130 966 HH22 ARG 58 1HH2 ARG 58 -2.389 28.703 27.825 967 H LEU 59 H LEU 59 -5.431 36.011 23.717 968 HA LEU 59 HA LEU 59 -3.494 38.025 22.838 969 HG LEU 59 HG LEU 59 -3.665 38.040 20.275 970 HB2 LEU 59 1HB LEU 59 -6.044 36.956 21.775 971 HB3 LEU 59 2HB LEU 59 -5.683 38.649 21.443 972 HD11 LEU 59 1HD1 LEU 59 -4.224 35.366 21.449 973 HD12 LEU 59 2HD1 LEU 59 -2.697 36.230 21.276 974 HD13 LEU 59 3HD1 LEU 59 -3.431 35.449 19.875 975 HD21 LEU 59 3HD2 LEU 59 -6.227 37.507 19.407 976 HD22 LEU 59 1HD2 LEU 59 -5.345 36.031 19.013 977 HD23 LEU 59 2HD2 LEU 59 -4.781 37.585 18.398 978 H LYS 60 H LYS 60 -6.304 37.598 24.814 979 HA LYS 60 HA LYS 60 -6.355 40.498 25.342 980 HB2 LYS 60 1HB LYS 60 -8.426 39.343 24.294 981 HB3 LYS 60 2HB LYS 60 -8.675 38.671 25.899 982 HG2 LYS 60 1HG LYS 60 -8.567 41.081 26.734 983 HG3 LYS 60 2HG LYS 60 -8.757 41.541 25.040 984 HD2 LYS 60 1HD LYS 60 -10.648 39.542 26.166 985 HD3 LYS 60 2HD LYS 60 -10.840 41.230 26.649 986 HE2 LYS 60 1HE LYS 60 -10.535 41.517 23.984 987 HE3 LYS 60 2HE LYS 60 -11.302 39.931 24.042 988 HZ1 LYS 60 3HZ LYS 60 -12.442 42.139 25.611 989 HZ2 LYS 60 1HZ LYS 60 -13.211 40.787 24.946 990 HZ3 LYS 60 2HZ LYS 60 -12.742 42.068 23.948 991 H LYS 61 H LYS 61 -5.249 40.838 27.161 992 HA LYS 61 HA LYS 61 -5.448 38.905 29.353 993 HB2 LYS 61 1HB LYS 61 -3.550 41.182 28.797 994 HB3 LYS 61 2HB LYS 61 -3.587 40.340 30.340 995 HG2 LYS 61 1HG LYS 61 -2.515 38.546 29.531 996 HG3 LYS 61 2HG LYS 61 -3.390 38.587 27.998 997 HD2 LYS 61 1HD LYS 61 -1.228 39.089 27.343 998 HD3 LYS 61 2HD LYS 61 -1.942 40.693 27.526 999 HE2 LYS 61 1HE LYS 61 -1.016 40.249 30.035 1000 HE3 LYS 61 2HE LYS 61 0.176 39.370 29.081 1001 HZ1 LYS 61 3HZ LYS 61 1.095 41.264 28.426 1002 HZ2 LYS 61 1HZ LYS 61 0.119 42.073 29.547 1003 HZ3 LYS 61 2HZ LYS 61 -0.390 41.914 27.942 1004 H LEU 62 H LEU 62 -5.160 42.455 29.265 1005 HA LEU 62 HA LEU 62 -7.483 42.627 31.053 1006 HG LEU 62 HG LEU 62 -7.281 43.200 33.271 1007 HB2 LEU 62 1HB LEU 62 -5.020 42.852 32.054 1008 HB3 LEU 62 2HB LEU 62 -5.243 44.512 31.509 1009 HD11 LEU 62 1HD1 LEU 62 -5.379 42.838 34.575 1010 HD12 LEU 62 2HD1 LEU 62 -6.014 44.377 35.157 1011 HD13 LEU 62 3HD1 LEU 62 -4.628 44.351 34.067 1012 HD21 LEU 62 3HD2 LEU 62 -7.974 45.362 33.736 1013 HD22 LEU 62 1HD2 LEU 62 -7.534 45.458 32.031 1014 HD23 LEU 62 2HD2 LEU 62 -6.429 46.070 33.261 Start of MODEL 6 1 HA MET 1 HA MET 1 -6.471 7.063 -9.426 2 H1 MET 1 1H MET 1 -4.769 5.557 -9.517 3 HB2 MET 1 1HB MET 1 -7.982 4.481 -9.744 4 HB3 MET 1 2HB MET 1 -8.821 6.022 -9.624 5 HG2 MET 1 1HG MET 1 -7.916 6.805 -11.631 6 HG3 MET 1 2HG MET 1 -6.660 5.569 -11.646 7 HE1 MET 1 3HE MET 1 -6.868 3.568 -13.327 8 HE2 MET 1 1HE MET 1 -7.264 2.995 -11.707 9 HE3 MET 1 2HE MET 1 -8.242 2.488 -13.085 10 H LYS 2 H LYS 2 -7.782 8.139 -7.958 11 HA LYS 2 HA LYS 2 -7.434 7.481 -5.238 12 HB2 LYS 2 1HB LYS 2 -9.062 9.345 -4.835 13 HB3 LYS 2 2HB LYS 2 -7.691 9.779 -5.849 14 HG2 LYS 2 1HG LYS 2 -8.975 10.143 -7.664 15 HG3 LYS 2 2HG LYS 2 -10.095 8.837 -7.270 16 HD2 LYS 2 1HD LYS 2 -11.221 10.195 -5.657 17 HD3 LYS 2 2HD LYS 2 -9.992 11.456 -5.780 18 HE2 LYS 2 1HE LYS 2 -11.171 10.810 -8.353 19 HE3 LYS 2 2HE LYS 2 -12.380 11.330 -7.179 20 HZ1 LYS 2 3HZ LYS 2 -11.132 13.069 -8.620 21 HZ2 LYS 2 1HZ LYS 2 -9.901 12.881 -7.475 22 HZ3 LYS 2 2HZ LYS 2 -11.437 13.396 -6.989 23 H LYS 3 H LYS 3 -8.735 6.512 -3.761 24 HA LYS 3 HA LYS 3 -11.246 5.347 -4.773 25 HB2 LYS 3 1HB LYS 3 -9.004 4.032 -3.772 26 HB3 LYS 3 2HB LYS 3 -10.147 4.017 -2.435 27 HG2 LYS 3 1HG LYS 3 -10.784 2.104 -3.467 28 HG3 LYS 3 2HG LYS 3 -11.804 3.240 -4.352 29 HD2 LYS 3 1HD LYS 3 -10.770 1.808 -5.954 30 HD3 LYS 3 2HD LYS 3 -9.989 3.386 -6.076 31 HE2 LYS 3 1HE LYS 3 -8.072 2.625 -4.909 32 HE3 LYS 3 2HE LYS 3 -8.880 1.139 -4.410 33 HZ1 LYS 3 3HZ LYS 3 -8.997 1.155 -7.159 34 HZ2 LYS 3 1HZ LYS 3 -7.991 0.198 -6.192 35 HZ3 LYS 3 2HZ LYS 3 -7.430 1.677 -6.792 36 H LEU 4 H LEU 4 -10.765 7.944 -3.403 37 HA LEU 4 HA LEU 4 -11.925 9.246 -1.935 38 HG LEU 4 HG LEU 4 -13.472 7.773 -3.722 39 HB2 LEU 4 1HB LEU 4 -13.454 6.833 -1.028 40 HB3 LEU 4 2HB LEU 4 -13.961 8.520 -1.033 41 HD11 LEU 4 1HD1 LEU 4 -14.823 5.684 -2.085 42 HD12 LEU 4 2HD1 LEU 4 -13.741 5.512 -3.467 43 HD13 LEU 4 3HD1 LEU 4 -15.413 6.015 -3.714 44 HD21 LEU 4 3HD2 LEU 4 -15.788 8.363 -4.004 45 HD22 LEU 4 1HD2 LEU 4 -15.049 9.475 -2.850 46 HD23 LEU 4 2HD2 LEU 4 -16.088 8.171 -2.276 47 H ARG 5 H ARG 5 -11.849 6.089 -0.278 48 HA ARG 5 HA ARG 5 -11.256 7.028 2.249 49 HE ARG 5 HE ARG 5 -11.565 1.763 1.343 50 HB2 ARG 5 1HB ARG 5 -10.737 4.421 0.864 51 HB3 ARG 5 2HB ARG 5 -10.109 4.688 2.485 52 HG2 ARG 5 1HG ARG 5 -12.094 4.322 3.405 53 HG3 ARG 5 2HG ARG 5 -12.892 5.436 2.294 54 HD2 ARG 5 1HD ARG 5 -13.887 3.353 1.879 55 HD3 ARG 5 2HD ARG 5 -12.729 3.572 0.567 56 HH11 ARG 5 1HH1 ARG 5 -13.742 2.864 3.826 57 HH12 ARG 5 2HH1 ARG 5 -13.440 1.516 4.872 58 HH21 ARG 5 2HH2 ARG 5 -11.970 -0.122 4.236 59 HH22 ARG 5 1HH2 ARG 5 -11.159 -0.017 2.710 60 H GLU 6 H GLU 6 -9.052 6.226 -0.392 61 HA GLU 6 HA GLU 6 -6.662 6.548 1.104 62 HB2 GLU 6 1HB GLU 6 -7.100 6.785 -1.879 63 HB3 GLU 6 2HB GLU 6 -5.542 6.607 -1.083 64 HG2 GLU 6 1HG GLU 6 -6.188 4.409 -0.272 65 HG3 GLU 6 2HG GLU 6 -7.774 4.587 -1.020 66 H GLU 7 H GLU 7 -8.680 8.735 -0.761 67 HA GLU 7 HA GLU 7 -6.830 10.913 -0.713 68 HB2 GLU 7 1HB GLU 7 -9.095 10.362 -2.137 69 HB3 GLU 7 2HB GLU 7 -9.682 11.568 -1.000 70 HG2 GLU 7 1HG GLU 7 -7.481 12.822 -1.777 71 HG3 GLU 7 2HG GLU 7 -7.735 11.834 -3.215 72 H ALA 8 H ALA 8 -9.466 9.828 1.325 73 HA ALA 8 HA ALA 8 -9.977 12.079 2.837 74 HB1 ALA 8 3HB ALA 8 -10.081 9.156 3.426 75 HB2 ALA 8 1HB ALA 8 -10.352 10.316 4.728 76 HB3 ALA 8 2HB ALA 8 -11.393 10.327 3.304 77 H ALA 9 H ALA 9 -7.406 9.676 3.274 78 HA ALA 9 HA ALA 9 -6.347 10.702 5.662 79 HB1 ALA 9 3HB ALA 9 -4.345 9.424 5.128 80 HB2 ALA 9 1HB ALA 9 -5.797 8.480 4.794 81 HB3 ALA 9 2HB ALA 9 -4.903 9.222 3.467 82 H LYS 10 H LYS 10 -5.817 11.574 2.302 83 HA LYS 10 HA LYS 10 -3.581 13.281 2.816 84 HB2 LYS 10 1HB LYS 10 -4.860 12.229 0.544 85 HB3 LYS 10 2HB LYS 10 -5.017 13.975 0.410 86 HG2 LYS 10 1HG LYS 10 -2.702 14.300 0.381 87 HG3 LYS 10 2HG LYS 10 -2.381 12.680 1.003 88 HD2 LYS 10 1HD LYS 10 -2.344 11.817 -1.052 89 HD3 LYS 10 2HD LYS 10 -3.883 12.577 -1.464 90 HE2 LYS 10 1HE LYS 10 -2.802 14.591 -2.124 91 HE3 LYS 10 2HE LYS 10 -1.260 14.056 -1.458 92 HZ1 LYS 10 3HZ LYS 10 -1.782 13.873 -4.007 93 HZ2 LYS 10 1HZ LYS 10 -2.504 12.417 -3.540 94 HZ3 LYS 10 2HZ LYS 10 -0.867 12.690 -3.218 95 H LEU 11 H LEU 11 -7.053 13.685 2.689 96 HA LEU 11 HA LEU 11 -7.270 16.433 2.416 97 HG LEU 11 HG LEU 11 -10.835 15.768 2.639 98 HB2 LEU 11 1HB LEU 11 -8.963 14.299 3.073 99 HB3 LEU 11 2HB LEU 11 -9.139 15.469 4.379 100 HD11 LEU 11 1HD1 LEU 11 -10.597 18.139 2.369 101 HD12 LEU 11 2HD1 LEU 11 -8.858 18.042 2.646 102 HD13 LEU 11 3HD1 LEU 11 -9.981 17.688 3.959 103 HD21 LEU 11 3HD2 LEU 11 -8.600 15.403 0.904 104 HD22 LEU 11 1HD2 LEU 11 -9.332 16.974 0.579 105 HD23 LEU 11 2HD2 LEU 11 -10.314 15.510 0.500 106 H PHE 12 H PHE 12 -6.303 14.534 5.177 107 HA PHE 12 HA PHE 12 -6.660 16.360 7.238 108 HD1 PHE 12 HD1 PHE 12 -7.674 13.904 6.729 109 HD2 PHE 12 HD2 PHE 12 -4.998 14.007 10.037 110 HE1 PHE 12 HE1 PHE 12 -9.315 12.677 8.091 111 HE2 PHE 12 HE2 PHE 12 -6.634 12.779 11.403 112 HZ PHE 12 HZ PHE 12 -8.795 12.111 10.431 113 HB2 PHE 12 1HB PHE 12 -4.783 14.090 6.764 114 HB3 PHE 12 2HB PHE 12 -4.459 15.167 8.118 115 H GLU 13 H GLU 13 -4.282 16.284 4.700 116 HA GLU 13 HA GLU 13 -2.440 18.094 5.905 117 HB2 GLU 13 1HB GLU 13 -2.022 16.451 3.973 118 HB3 GLU 13 2HB GLU 13 -2.757 17.671 2.942 119 HG2 GLU 13 1HG GLU 13 -0.689 18.755 4.674 120 HG3 GLU 13 2HG GLU 13 -0.098 17.489 3.600 121 H GLU 14 H GLU 14 -5.282 18.440 3.888 122 HA GLU 14 HA GLU 14 -4.998 21.024 2.958 123 HB2 GLU 14 1HB GLU 14 -7.017 19.139 2.976 124 HB3 GLU 14 2HB GLU 14 -7.704 20.461 3.910 125 HG2 GLU 14 1HG GLU 14 -8.347 20.826 1.680 126 HG3 GLU 14 2HG GLU 14 -7.062 21.985 2.013 127 H TRP 15 H TRP 15 -6.269 19.943 6.089 128 HA TRP 15 HA TRP 15 -6.999 22.448 7.092 129 HD1 TRP 15 HD1 TRP 15 -8.916 21.146 6.571 130 HE1 TRP 15 HE1 TRP 15 -10.586 19.188 6.515 131 HE3 TRP 15 HE3 TRP 15 -6.735 18.121 10.068 132 HZ2 TRP 15 HZ2 TRP 15 -10.933 16.692 7.787 133 HZ3 TRP 15 HZ3 TRP 15 -7.799 15.965 10.591 134 HH2 TRP 15 HH2 TRP 15 -9.855 15.267 9.473 135 HB2 TRP 15 1HB TRP 15 -5.925 20.144 8.728 136 HB3 TRP 15 2HB TRP 15 -7.015 21.420 9.266 137 H LYS 16 H LYS 16 -3.956 20.647 7.506 138 HA LYS 16 HA LYS 16 -2.592 22.443 9.102 139 HB2 LYS 16 1HB LYS 16 -1.443 20.756 6.869 140 HB3 LYS 16 2HB LYS 16 -0.529 21.466 8.193 141 HG2 LYS 16 1HG LYS 16 -2.794 19.750 8.970 142 HG3 LYS 16 2HG LYS 16 -1.434 18.941 8.187 143 HD2 LYS 16 1HD LYS 16 -0.563 20.851 10.191 144 HD3 LYS 16 2HD LYS 16 -1.633 19.620 10.868 145 HE2 LYS 16 1HE LYS 16 0.644 18.858 11.029 146 HE3 LYS 16 2HE LYS 16 -0.207 17.877 9.837 147 HZ1 LYS 16 3HZ LYS 16 0.771 19.340 8.104 148 HZ2 LYS 16 1HZ LYS 16 1.917 18.438 8.963 149 HZ3 LYS 16 2HZ LYS 16 1.707 20.081 9.303 150 H LYS 17 H LYS 17 -3.302 22.615 5.696 151 HA LYS 17 HA LYS 17 -1.425 24.469 4.835 152 HB2 LYS 17 1HB LYS 17 -3.216 23.208 3.489 153 HB3 LYS 17 2HB LYS 17 -4.296 24.524 3.931 154 HG2 LYS 17 1HG LYS 17 -1.749 25.429 2.835 155 HG3 LYS 17 2HG LYS 17 -2.696 24.446 1.717 156 HD2 LYS 17 1HD LYS 17 -4.666 25.975 2.444 157 HD3 LYS 17 2HD LYS 17 -3.390 27.064 2.995 158 HE2 LYS 17 1HE LYS 17 -2.425 26.617 0.591 159 HE3 LYS 17 2HE LYS 17 -4.100 26.202 0.231 160 HZ1 LYS 17 3HZ LYS 17 -4.499 28.356 0.017 161 HZ2 LYS 17 1HZ LYS 17 -2.932 28.756 0.510 162 HZ3 LYS 17 2HZ LYS 17 -4.159 28.574 1.659 163 H LEU 18 H LEU 18 -4.668 25.090 6.171 164 HA LEU 18 HA LEU 18 -4.296 27.926 6.208 165 HG LEU 18 HG LEU 18 -6.431 26.696 4.897 166 HB2 LEU 18 1HB LEU 18 -6.356 26.081 7.377 167 HB3 LEU 18 2HB LEU 18 -6.379 27.817 7.685 168 HD11 LEU 18 1HD1 LEU 18 -8.370 25.727 5.594 169 HD12 LEU 18 2HD1 LEU 18 -8.973 27.342 5.225 170 HD13 LEU 18 3HD1 LEU 18 -8.619 26.893 6.894 171 HD21 LEU 18 3HD2 LEU 18 -7.427 29.308 6.024 172 HD22 LEU 18 1HD2 LEU 18 -7.329 28.847 4.325 173 HD23 LEU 18 2HD2 LEU 18 -5.852 29.085 5.260 174 H ALA 19 H ALA 19 -3.843 25.314 8.491 175 HA ALA 19 HA ALA 19 -3.645 26.838 10.848 176 HB1 ALA 19 3HB ALA 19 -3.367 24.127 10.119 177 HB2 ALA 19 1HB ALA 19 -1.899 24.585 10.984 178 HB3 ALA 19 2HB ALA 19 -3.477 24.815 11.739 179 H GLU 20 H GLU 20 -1.206 25.831 8.482 180 HA GLU 20 HA GLU 20 1.017 26.889 9.880 181 HB2 GLU 20 1HB GLU 20 0.865 25.220 7.845 182 HB3 GLU 20 2HB GLU 20 1.001 26.695 6.897 183 HG2 GLU 20 1HG GLU 20 3.190 26.009 7.075 184 HG3 GLU 20 2HG GLU 20 3.054 27.186 8.380 185 H GLU 21 H GLU 21 -1.190 28.223 7.484 186 HA GLU 21 HA GLU 21 0.263 30.622 7.032 187 HB2 GLU 21 1HB GLU 21 -1.707 29.486 5.687 188 HB3 GLU 21 2HB GLU 21 -2.704 30.513 6.707 189 HG2 GLU 21 1HG GLU 21 -2.374 32.162 5.277 190 HG3 GLU 21 2HG GLU 21 -0.673 32.168 5.739 191 H ALA 22 H ALA 22 -2.141 29.632 9.370 192 HA ALA 22 HA ALA 22 -2.789 32.221 10.333 193 HB1 ALA 22 3HB ALA 22 -4.087 31.166 11.908 194 HB2 ALA 22 1HB ALA 22 -3.996 29.925 10.658 195 HB3 ALA 22 2HB ALA 22 -2.966 29.817 12.087 196 H ALA 23 H ALA 23 -0.244 29.938 11.045 197 HA ALA 23 HA ALA 23 0.613 31.236 13.458 198 HB1 ALA 23 3HB ALA 23 1.039 28.768 12.390 199 HB2 ALA 23 1HB ALA 23 2.579 29.568 12.067 200 HB3 ALA 23 2HB ALA 23 1.965 29.467 13.718 201 H LYS 24 H LYS 24 1.414 31.434 10.057 202 HA LYS 24 HA LYS 24 3.812 32.941 10.386 203 HB2 LYS 24 1HB LYS 24 2.737 31.605 8.308 204 HB3 LYS 24 2HB LYS 24 2.249 33.240 7.885 205 HG2 LYS 24 1HG LYS 24 4.315 32.790 6.800 206 HG3 LYS 24 2HG LYS 24 4.634 33.933 8.108 207 HD2 LYS 24 1HD LYS 24 5.853 32.432 9.301 208 HD3 LYS 24 2HD LYS 24 4.885 31.058 8.765 209 HE2 LYS 24 1HE LYS 24 6.209 32.101 6.493 210 HE3 LYS 24 2HE LYS 24 7.402 31.974 7.784 211 HZ1 LYS 24 3HZ LYS 24 6.734 29.656 8.093 212 HZ2 LYS 24 1HZ LYS 24 7.304 29.936 6.525 213 HZ3 LYS 24 2HZ LYS 24 5.643 29.790 6.807 214 H LEU 25 H LEU 25 0.418 33.742 10.056 215 HA LEU 25 HA LEU 25 0.845 36.540 9.626 216 HG LEU 25 HG LEU 25 -0.970 36.557 7.887 217 HB2 LEU 25 1HB LEU 25 -1.327 34.756 9.529 218 HB3 LEU 25 2HB LEU 25 -1.732 35.965 10.745 219 HD11 LEU 25 1HD1 LEU 25 -3.669 36.709 9.219 220 HD12 LEU 25 2HD1 LEU 25 -3.153 35.421 8.129 221 HD13 LEU 25 3HD1 LEU 25 -3.292 37.075 7.535 222 HD21 LEU 25 3HD2 LEU 25 -2.336 38.685 9.151 223 HD22 LEU 25 1HD2 LEU 25 -0.676 38.649 8.556 224 HD23 LEU 25 2HD2 LEU 25 -1.025 38.187 10.221 225 H LEU 26 H LEU 26 0.419 34.468 12.402 226 HA LEU 26 HA LEU 26 -0.030 36.629 14.248 227 HG LEU 26 HG LEU 26 0.595 35.391 16.862 228 HB2 LEU 26 1HB LEU 26 -0.822 34.214 14.475 229 HB3 LEU 26 2HB LEU 26 0.831 33.840 14.956 230 HD11 LEU 26 1HD1 LEU 26 -2.269 35.590 15.941 231 HD12 LEU 26 2HD1 LEU 26 -1.076 36.889 15.935 232 HD13 LEU 26 3HD1 LEU 26 -1.633 36.210 17.465 233 HD21 LEU 26 3HD2 LEU 26 -0.070 32.873 16.819 234 HD22 LEU 26 1HD2 LEU 26 -1.709 33.495 17.002 235 HD23 LEU 26 2HD2 LEU 26 -0.486 33.868 18.216 236 H GLU 27 H GLU 27 2.702 34.927 12.961 237 HA GLU 27 HA GLU 27 4.496 36.024 14.988 238 HB2 GLU 27 1HB GLU 27 6.171 34.587 14.119 239 HB3 GLU 27 2HB GLU 27 4.688 33.644 14.152 240 HG2 GLU 27 1HG GLU 27 4.410 34.318 11.708 241 HG3 GLU 27 2HG GLU 27 6.095 34.829 11.789 242 H GLY 28 H GLY 28 3.491 36.543 11.712 243 HA2 GLY 28 1HA GLY 28 3.825 38.793 10.823 244 HA3 GLY 28 2HA GLY 28 5.434 38.760 11.528 245 H GLY 29 H GLY 29 6.538 36.474 10.728 246 HA2 GLY 29 1HA GLY 29 6.127 35.491 8.193 247 HA3 GLY 29 2HA GLY 29 7.057 36.965 7.960 248 H GLY 30 H GLY 30 9.001 37.096 9.577 249 HA2 GLY 30 1HA GLY 30 10.487 34.601 9.192 250 HA3 GLY 30 2HA GLY 30 11.185 36.182 9.512 251 H GLY 31 H GLY 31 9.720 33.342 10.916 252 HA2 GLY 31 1HA GLY 31 10.791 34.185 13.528 253 HA3 GLY 31 2HA GLY 31 9.147 33.575 13.411 254 H GLY 32 H GLY 32 10.876 32.341 15.104 255 HA2 GLY 32 1HA GLY 32 10.647 29.702 14.725 256 HA3 GLY 32 2HA GLY 32 12.066 30.059 13.751 257 H GLY 33 H GLY 33 10.890 29.397 16.866 258 HA2 GLY 33 1HA GLY 33 12.109 28.845 18.760 259 HA3 GLY 33 2HA GLY 33 13.573 29.340 17.922 260 H GLY 34 H GLY 34 10.700 30.597 19.578 261 HA2 GLY 34 1HA GLY 34 11.515 32.176 21.447 262 HA3 GLY 34 2HA GLY 34 12.164 33.097 20.098 263 H GLY 35 H GLY 35 9.076 31.557 21.022 264 HA2 GLY 35 1HA GLY 35 7.620 33.961 21.086 265 HA3 GLY 35 2HA GLY 35 7.446 33.249 19.488 266 H GLU 36 H GLU 36 5.770 33.606 22.133 267 HA GLU 36 HA GLU 36 4.963 30.878 22.649 268 HB2 GLU 36 1HB GLU 36 4.932 32.348 24.529 269 HB3 GLU 36 2HB GLU 36 3.984 33.546 23.660 270 HG2 GLU 36 1HG GLU 36 2.084 32.001 23.621 271 HG3 GLU 36 2HG GLU 36 3.034 30.825 24.526 272 H LEU 37 H LEU 37 3.517 33.770 21.178 273 HA LEU 37 HA LEU 37 1.022 32.725 20.550 274 HG LEU 37 HG LEU 37 -0.300 34.822 19.990 275 HB2 LEU 37 1HB LEU 37 2.689 34.951 19.619 276 HB3 LEU 37 2HB LEU 37 1.513 34.376 18.440 277 HD11 LEU 37 1HD1 LEU 37 0.901 36.360 21.997 278 HD12 LEU 37 2HD1 LEU 37 1.831 34.864 21.911 279 HD13 LEU 37 3HD1 LEU 37 0.087 34.806 22.172 280 HD21 LEU 37 3HD2 LEU 37 1.455 37.258 19.984 281 HD22 LEU 37 1HD2 LEU 37 -0.300 37.160 19.838 282 HD23 LEU 37 2HD2 LEU 37 0.728 36.626 18.507 283 H MET 38 H MET 38 4.102 32.349 18.921 284 HA MET 38 HA MET 38 2.993 31.130 16.574 285 HB2 MET 38 1HB MET 38 5.296 30.681 15.949 286 HB3 MET 38 2HB MET 38 5.149 32.331 16.538 287 HG2 MET 38 1HG MET 38 6.177 31.784 18.598 288 HG3 MET 38 2HG MET 38 6.072 30.057 18.267 289 HE1 MET 38 3HE MET 38 8.670 28.948 16.384 290 HE2 MET 38 1HE MET 38 6.911 29.041 16.291 291 HE3 MET 38 2HE MET 38 7.901 29.818 15.056 292 H LYS 39 H LYS 39 4.105 30.038 19.682 293 HA LYS 39 HA LYS 39 4.349 27.276 18.942 294 HB2 LYS 39 1HB LYS 39 5.670 28.064 20.784 295 HB3 LYS 39 2HB LYS 39 4.245 28.674 21.617 296 HG2 LYS 39 1HG LYS 39 3.938 25.874 21.084 297 HG3 LYS 39 2HG LYS 39 5.470 26.173 21.910 298 HD2 LYS 39 1HD LYS 39 4.022 27.676 23.469 299 HD3 LYS 39 2HD LYS 39 2.678 26.727 22.830 300 HE2 LYS 39 1HE LYS 39 3.226 24.946 24.059 301 HE3 LYS 39 2HE LYS 39 4.929 25.071 23.624 302 HZ1 LYS 39 3HZ LYS 39 5.403 26.303 25.451 303 HZ2 LYS 39 1HZ LYS 39 4.089 25.442 26.079 304 HZ3 LYS 39 2HZ LYS 39 3.875 27.024 25.523 305 H LEU 40 H LEU 40 1.841 29.333 20.259 306 HA LEU 40 HA LEU 40 0.088 27.282 21.109 307 HG LEU 40 HG LEU 40 -1.266 28.081 22.581 308 HB2 LEU 40 1HB LEU 40 0.103 30.123 21.000 309 HB3 LEU 40 2HB LEU 40 -1.398 29.553 20.269 310 HD11 LEU 40 1HD1 LEU 40 0.612 29.294 23.455 311 HD12 LEU 40 2HD1 LEU 40 -0.831 29.755 24.357 312 HD13 LEU 40 3HD1 LEU 40 -0.177 30.836 23.126 313 HD21 LEU 40 3HD2 LEU 40 -2.968 29.742 23.403 314 HD22 LEU 40 1HD2 LEU 40 -3.278 29.069 21.802 315 HD23 LEU 40 2HD2 LEU 40 -2.619 30.698 21.963 316 H CYS 41 H CYS 41 0.579 28.916 18.038 317 HA CYS 41 HA CYS 41 -1.746 27.899 16.763 318 HG CYS 41 HG CYS 41 -2.468 28.656 14.425 319 HB2 CYS 41 1HB CYS 41 0.287 29.711 16.119 320 HB3 CYS 41 2HB CYS 41 0.434 28.424 14.927 321 H GLU 42 H GLU 42 1.624 26.831 16.904 322 HA GLU 42 HA GLU 42 1.375 24.697 15.078 323 HB2 GLU 42 1HB GLU 42 3.523 25.730 15.920 324 HB3 GLU 42 2HB GLU 42 3.287 24.826 17.410 325 HG2 GLU 42 1HG GLU 42 3.033 23.027 15.227 326 HG3 GLU 42 2HG GLU 42 4.501 23.977 15.003 327 H GLU 43 H GLU 43 0.626 25.011 18.467 328 HA GLU 43 HA GLU 43 0.545 22.325 19.218 329 HB2 GLU 43 1HB GLU 43 0.310 24.369 20.707 330 HB3 GLU 43 2HB GLU 43 -1.373 24.435 20.204 331 HG2 GLU 43 1HG GLU 43 -1.465 23.296 22.210 332 HG3 GLU 43 2HG GLU 43 -1.493 22.001 21.016 333 H ALA 44 H ALA 44 -1.991 24.371 17.810 334 HA ALA 44 HA ALA 44 -4.053 22.471 17.849 335 HB1 ALA 44 3HB ALA 44 -5.282 23.997 16.697 336 HB2 ALA 44 1HB ALA 44 -3.986 25.058 17.248 337 HB3 ALA 44 2HB ALA 44 -3.959 24.410 15.608 338 H ALA 45 H ALA 45 -1.655 23.240 15.348 339 HA ALA 45 HA ALA 45 -2.637 21.373 13.448 340 HB1 ALA 45 3HB ALA 45 -0.709 23.384 13.480 341 HB2 ALA 45 1HB ALA 45 0.182 21.898 13.151 342 HB3 ALA 45 2HB ALA 45 -1.166 22.368 12.114 343 H LYS 46 H LYS 46 -0.473 21.142 16.161 344 HA LYS 46 HA LYS 46 0.869 18.766 15.465 345 HB2 LYS 46 1HB LYS 46 1.636 20.224 17.273 346 HB3 LYS 46 2HB LYS 46 0.184 19.866 18.198 347 HG2 LYS 46 1HG LYS 46 0.850 17.585 18.482 348 HG3 LYS 46 2HG LYS 46 2.216 17.800 17.385 349 HD2 LYS 46 1HD LYS 46 3.480 18.834 18.952 350 HD3 LYS 46 2HD LYS 46 2.095 19.650 19.682 351 HE2 LYS 46 1HE LYS 46 1.942 16.791 20.057 352 HE3 LYS 46 2HE LYS 46 3.466 17.429 20.672 353 HZ1 LYS 46 3HZ LYS 46 2.377 18.802 22.170 354 HZ2 LYS 46 1HZ LYS 46 1.456 17.385 22.227 355 HZ3 LYS 46 2HZ LYS 46 0.899 18.719 21.350 356 H LYS 47 H LYS 47 -2.293 19.376 16.790 357 HA LYS 47 HA LYS 47 -2.851 16.838 17.851 358 HB2 LYS 47 1HB LYS 47 -4.349 19.238 17.148 359 HB3 LYS 47 2HB LYS 47 -5.276 17.768 16.879 360 HG2 LYS 47 1HG LYS 47 -5.813 17.924 19.034 361 HG3 LYS 47 2HG LYS 47 -4.183 17.323 19.348 362 HD2 LYS 47 1HD LYS 47 -3.466 19.784 19.249 363 HD3 LYS 47 2HD LYS 47 -5.186 20.154 19.400 364 HE2 LYS 47 1HE LYS 47 -5.313 19.046 21.507 365 HE3 LYS 47 2HE LYS 47 -3.691 18.381 21.322 366 HZ1 LYS 47 3HZ LYS 47 -3.828 21.261 21.177 367 HZ2 LYS 47 1HZ LYS 47 -2.752 20.270 22.026 368 HZ3 LYS 47 2HZ LYS 47 -4.273 20.622 22.679 369 H ALA 48 H ALA 48 -2.953 18.076 14.579 370 HA ALA 48 HA ALA 48 -4.442 15.964 13.425 371 HB1 ALA 48 3HB ALA 48 -3.405 18.367 12.542 372 HB2 ALA 48 1HB ALA 48 -2.501 17.160 11.629 373 HB3 ALA 48 2HB ALA 48 -4.264 17.177 11.564 374 H GLU 49 H GLU 49 -1.108 16.304 14.336 375 HA GLU 49 HA GLU 49 -0.088 14.188 12.721 376 HB2 GLU 49 1HB GLU 49 0.936 16.058 14.673 377 HB3 GLU 49 2HB GLU 49 1.569 14.445 14.970 378 HG2 GLU 49 1HG GLU 49 2.376 14.324 12.678 379 HG3 GLU 49 2HG GLU 49 1.717 15.925 12.353 380 H GLU 50 H GLU 50 -1.492 14.396 15.924 381 HA GLU 50 HA GLU 50 -0.779 11.706 16.654 382 HB2 GLU 50 1HB GLU 50 -2.714 13.660 17.910 383 HB3 GLU 50 2HB GLU 50 -2.259 12.112 18.608 384 HG2 GLU 50 1HG GLU 50 0.146 12.981 18.485 385 HG3 GLU 50 2HG GLU 50 -0.585 14.566 18.240 386 H LEU 51 H LEU 51 -3.470 13.297 15.128 387 HA LEU 51 HA LEU 51 -5.338 11.162 15.470 388 HG LEU 51 HG LEU 51 -5.927 13.856 16.126 389 HB2 LEU 51 1HB LEU 51 -5.243 13.590 13.709 390 HB3 LEU 51 2HB LEU 51 -6.528 12.394 13.563 391 HD11 LEU 51 1HD1 LEU 51 -6.556 15.360 14.183 392 HD12 LEU 51 2HD1 LEU 51 -7.586 15.442 15.613 393 HD13 LEU 51 3HD1 LEU 51 -8.120 14.544 14.192 394 HD21 LEU 51 3HD2 LEU 51 -8.197 13.151 16.708 395 HD22 LEU 51 1HD2 LEU 51 -7.156 11.768 16.369 396 HD23 LEU 51 2HD2 LEU 51 -8.329 12.305 15.166 397 H PHE 52 H PHE 52 -2.864 11.937 13.153 398 HA PHE 52 HA PHE 52 -3.701 10.396 10.980 399 HD1 PHE 52 HD1 PHE 52 -1.194 9.161 9.191 400 HD2 PHE 52 HD2 PHE 52 -2.217 13.245 9.819 401 HE1 PHE 52 HE1 PHE 52 -1.284 9.510 6.757 402 HE2 PHE 52 HE2 PHE 52 -2.309 13.600 7.386 403 HZ PHE 52 HZ PHE 52 -1.842 11.731 5.851 404 HB2 PHE 52 1HB PHE 52 -1.458 11.920 11.621 405 HB3 PHE 52 2HB PHE 52 -0.821 10.300 11.365 406 H LYS 53 H LYS 53 -2.105 9.492 13.961 407 HA LYS 53 HA LYS 53 -1.259 6.914 13.242 408 HB2 LYS 53 1HB LYS 53 -1.310 8.499 15.584 409 HB3 LYS 53 2HB LYS 53 -2.097 6.978 15.988 410 HG2 LYS 53 1HG LYS 53 -0.174 5.856 15.970 411 HG3 LYS 53 2HG LYS 53 0.354 6.611 14.465 412 HD2 LYS 53 1HD LYS 53 0.969 8.639 15.761 413 HD3 LYS 53 2HD LYS 53 0.557 7.773 17.242 414 HE2 LYS 53 1HE LYS 53 2.396 6.344 15.457 415 HE3 LYS 53 2HE LYS 53 3.035 7.850 16.115 416 HZ1 LYS 53 3HZ LYS 53 3.455 5.805 17.475 417 HZ2 LYS 53 1HZ LYS 53 1.797 5.755 17.806 418 HZ3 LYS 53 2HZ LYS 53 2.720 7.080 18.308 419 H LEU 54 H LEU 54 -4.273 8.010 14.779 420 HA LEU 54 HA LEU 54 -5.417 5.376 14.766 421 HG LEU 54 HG LEU 54 -4.884 7.740 16.731 422 HB2 LEU 54 1HB LEU 54 -6.880 7.976 15.137 423 HB3 LEU 54 2HB LEU 54 -7.354 6.376 15.705 424 HD11 LEU 54 1HD1 LEU 54 -6.670 9.300 17.135 425 HD12 LEU 54 2HD1 LEU 54 -6.257 8.492 18.647 426 HD13 LEU 54 3HD1 LEU 54 -7.704 8.014 17.758 427 HD21 LEU 54 3HD2 LEU 54 -5.442 6.292 18.712 428 HD22 LEU 54 1HD2 LEU 54 -4.965 5.427 17.251 429 HD23 LEU 54 2HD2 LEU 54 -6.667 5.519 17.705 430 H ALA 55 H ALA 55 -5.346 8.088 12.616 431 HA ALA 55 HA ALA 55 -7.657 7.512 11.096 432 HB1 ALA 55 3HB ALA 55 -6.566 9.678 10.988 433 HB2 ALA 55 1HB ALA 55 -5.129 8.941 10.281 434 HB3 ALA 55 2HB ALA 55 -6.647 8.952 9.383 435 H GLU 56 H GLU 56 -4.492 6.118 11.174 436 HA GLU 56 HA GLU 56 -4.604 4.930 8.567 437 HB2 GLU 56 1HB GLU 56 -2.665 5.235 10.618 438 HB3 GLU 56 2HB GLU 56 -2.827 3.513 10.304 439 HG2 GLU 56 1HG GLU 56 -2.386 3.882 7.943 440 HG3 GLU 56 2HG GLU 56 -2.269 5.618 8.226 441 H GLU 57 H GLU 57 -5.544 3.998 11.799 442 HA GLU 57 HA GLU 57 -5.942 1.227 11.156 443 HB2 GLU 57 1HB GLU 57 -5.578 2.517 13.489 444 HB3 GLU 57 2HB GLU 57 -7.334 2.418 13.488 445 HG2 GLU 57 1HG GLU 57 -6.984 -0.077 12.986 446 HG3 GLU 57 2HG GLU 57 -5.327 0.201 13.519 447 H ARG 58 H ARG 58 -7.780 4.124 10.889 448 HA ARG 58 HA ARG 58 -10.375 2.953 10.911 449 HE ARG 58 HE ARG 58 -9.528 8.242 12.877 450 HB2 ARG 58 1HB ARG 58 -9.289 5.587 9.944 451 HB3 ARG 58 2HB ARG 58 -10.974 5.146 9.703 452 HG2 ARG 58 1HG ARG 58 -11.293 4.943 12.097 453 HG3 ARG 58 2HG ARG 58 -9.587 5.304 12.371 454 HD2 ARG 58 1HD ARG 58 -10.276 7.434 10.885 455 HD3 ARG 58 2HD ARG 58 -11.824 7.097 11.659 456 HH11 ARG 58 1HH1 ARG 58 -12.222 6.123 13.487 457 HH12 ARG 58 2HH1 ARG 58 -12.264 6.453 15.187 458 HH21 ARG 58 2HH2 ARG 58 -10.759 7.912 16.112 459 HH22 ARG 58 1HH2 ARG 58 -9.574 8.685 15.114 460 H LEU 59 H LEU 59 -8.924 4.625 8.135 461 HA LEU 59 HA LEU 59 -9.824 2.400 6.427 462 HG LEU 59 HG LEU 59 -9.305 6.003 6.652 463 HB2 LEU 59 1HB LEU 59 -10.026 4.309 4.669 464 HB3 LEU 59 2HB LEU 59 -11.325 4.023 5.826 465 HD11 LEU 59 1HD1 LEU 59 -10.952 7.572 5.133 466 HD12 LEU 59 2HD1 LEU 59 -10.667 6.189 4.077 467 HD13 LEU 59 3HD1 LEU 59 -9.303 7.109 4.712 468 HD21 LEU 59 3HD2 LEU 59 -11.037 6.878 7.825 469 HD22 LEU 59 1HD2 LEU 59 -11.675 5.246 7.619 470 HD23 LEU 59 2HD2 LEU 59 -12.214 6.544 6.554 471 H LYS 60 H LYS 60 -7.173 3.489 7.675 472 HA LYS 60 HA LYS 60 -4.973 3.640 7.095 473 HB2 LYS 60 1HB LYS 60 -5.792 1.872 4.785 474 HB3 LYS 60 2HB LYS 60 -4.187 2.013 5.490 475 HG2 LYS 60 1HG LYS 60 -4.861 0.920 7.476 476 HG3 LYS 60 2HG LYS 60 -6.567 1.036 7.042 477 HD2 LYS 60 1HD LYS 60 -4.854 -0.359 5.093 478 HD3 LYS 60 2HD LYS 60 -5.046 -1.167 6.651 479 HE2 LYS 60 1HE LYS 60 -7.445 -1.135 6.422 480 HE3 LYS 60 2HE LYS 60 -7.328 -0.179 4.946 481 HZ1 LYS 60 3HZ LYS 60 -7.689 -2.413 4.309 482 HZ2 LYS 60 1HZ LYS 60 -6.481 -2.991 5.342 483 HZ3 LYS 60 2HZ LYS 60 -6.063 -2.085 3.977 484 H LYS 61 H LYS 61 -3.578 3.720 4.765 485 HA LYS 61 HA LYS 61 -4.691 6.085 3.404 486 HB2 LYS 61 1HB LYS 61 -2.719 6.591 4.794 487 HB3 LYS 61 2HB LYS 61 -1.786 5.403 3.895 488 HG2 LYS 61 1HG LYS 61 -3.052 7.372 2.173 489 HG3 LYS 61 2HG LYS 61 -1.950 8.091 3.349 490 HD2 LYS 61 1HD LYS 61 -1.194 5.740 1.627 491 HD3 LYS 61 2HD LYS 61 -0.937 7.414 1.127 492 HE2 LYS 61 1HE LYS 61 0.159 6.163 3.644 493 HE3 LYS 61 2HE LYS 61 1.067 6.396 2.151 494 HZ1 LYS 61 3HZ LYS 61 0.335 8.319 4.186 495 HZ2 LYS 61 1HZ LYS 61 0.132 8.862 2.596 496 HZ3 LYS 61 2HZ LYS 61 1.646 8.318 3.117 497 H LEU 62 H LEU 62 -2.614 3.237 2.984 498 HA LEU 62 HA LEU 62 -2.085 1.985 1.159 499 HG LEU 62 HG LEU 62 -3.354 0.274 1.103 500 HB2 LEU 62 1HB LEU 62 -4.897 2.656 0.957 501 HB3 LEU 62 2HB LEU 62 -4.173 2.379 -0.626 502 HD11 LEU 62 1HD1 LEU 62 -5.388 0.992 2.402 503 HD12 LEU 62 2HD1 LEU 62 -5.394 -0.677 1.833 504 HD13 LEU 62 3HD1 LEU 62 -6.348 0.546 0.991 505 HD21 LEU 62 3HD2 LEU 62 -5.010 -0.919 -0.594 506 HD22 LEU 62 1HD2 LEU 62 -3.429 -0.317 -1.093 507 HD23 LEU 62 2HD2 LEU 62 -4.878 0.636 -1.418 508 HA MET 1 HA MET 1 -9.180 48.856 13.507 509 H1 MET 1 1H MET 1 -9.794 46.276 13.399 510 HB2 MET 1 1HB MET 1 -9.637 48.252 16.125 511 HB3 MET 1 2HB MET 1 -7.890 48.071 16.035 512 HG2 MET 1 1HG MET 1 -7.879 50.263 16.467 513 HG3 MET 1 2HG MET 1 -8.213 50.418 14.745 514 HE1 MET 1 3HE MET 1 -10.255 53.024 17.097 515 HE2 MET 1 1HE MET 1 -8.589 52.463 16.940 516 HE3 MET 1 2HE MET 1 -9.443 53.096 15.532 517 H LYS 2 H LYS 2 -7.625 45.985 14.943 518 HA LYS 2 HA LYS 2 -5.089 46.590 13.747 519 HB2 LYS 2 1HB LYS 2 -6.043 44.037 15.058 520 HB3 LYS 2 2HB LYS 2 -4.373 44.443 14.682 521 HG2 LYS 2 1HG LYS 2 -6.015 46.191 16.471 522 HG3 LYS 2 2HG LYS 2 -5.205 44.750 17.090 523 HD2 LYS 2 1HD LYS 2 -3.062 45.618 16.242 524 HD3 LYS 2 2HD LYS 2 -3.889 47.076 15.687 525 HE2 LYS 2 1HE LYS 2 -4.507 46.549 18.449 526 HE3 LYS 2 2HE LYS 2 -2.762 46.604 18.207 527 HZ1 LYS 2 3HZ LYS 2 -3.039 48.759 17.113 528 HZ2 LYS 2 1HZ LYS 2 -3.609 48.790 18.706 529 HZ3 LYS 2 2HZ LYS 2 -4.703 48.708 17.419 530 H LYS 3 H LYS 3 -3.960 45.150 12.265 531 HA LYS 3 HA LYS 3 -5.785 43.755 10.418 532 HB2 LYS 3 1HB LYS 3 -3.308 45.262 9.579 533 HB3 LYS 3 2HB LYS 3 -4.542 44.567 8.537 534 HG2 LYS 3 1HG LYS 3 -5.263 46.696 8.464 535 HG3 LYS 3 2HG LYS 3 -6.067 46.240 9.968 536 HD2 LYS 3 1HD LYS 3 -5.035 48.131 10.696 537 HD3 LYS 3 2HD LYS 3 -3.719 46.989 10.981 538 HE2 LYS 3 1HE LYS 3 -2.617 48.653 9.844 539 HE3 LYS 3 2HE LYS 3 -3.072 47.585 8.517 540 HZ1 LYS 3 3HZ LYS 3 -4.438 49.113 7.659 541 HZ2 LYS 3 1HZ LYS 3 -3.589 50.223 8.613 542 HZ3 LYS 3 2HZ LYS 3 -5.053 49.578 9.164 543 H LEU 4 H LEU 4 -4.136 42.739 12.641 544 HA LEU 4 HA LEU 4 -2.717 40.692 11.118 545 HG LEU 4 HG LEU 4 -1.211 42.840 10.681 546 HB2 LEU 4 1HB LEU 4 -1.431 41.971 13.512 547 HB3 LEU 4 2HB LEU 4 -0.715 40.844 12.364 548 HD11 LEU 4 1HD1 LEU 4 -0.329 44.796 12.445 549 HD12 LEU 4 2HD1 LEU 4 -1.647 43.990 13.292 550 HD13 LEU 4 3HD1 LEU 4 -1.920 44.684 11.694 551 HD21 LEU 4 3HD2 LEU 4 0.963 41.851 11.033 552 HD22 LEU 4 1HD2 LEU 4 1.124 42.678 12.583 553 HD23 LEU 4 2HD2 LEU 4 1.101 43.609 11.084 554 H ARG 5 H ARG 5 -3.445 41.755 14.446 555 HA ARG 5 HA ARG 5 -3.507 39.160 15.544 556 HE ARG 5 HE ARG 5 -1.178 40.794 15.646 557 HB2 ARG 5 1HB ARG 5 -4.405 41.863 16.417 558 HB3 ARG 5 2HB ARG 5 -5.043 40.470 17.281 559 HG2 ARG 5 1HG ARG 5 -3.215 40.788 18.552 560 HG3 ARG 5 2HG ARG 5 -2.440 39.838 17.282 561 HD2 ARG 5 1HD ARG 5 -2.616 42.748 16.816 562 HD3 ARG 5 2HD ARG 5 -1.539 42.231 18.113 563 HH11 ARG 5 1HH1 ARG 5 -0.283 43.606 17.494 564 HH12 ARG 5 2HH1 ARG 5 1.228 43.824 16.675 565 HH21 ARG 5 2HH2 ARG 5 1.848 42.383 15.005 566 HH22 ARG 5 1HH2 ARG 5 0.809 41.072 14.560 567 H GLU 6 H GLU 6 -6.159 41.329 14.563 568 HA GLU 6 HA GLU 6 -8.253 39.549 15.118 569 HB2 GLU 6 1HB GLU 6 -8.068 42.143 14.235 570 HB3 GLU 6 2HB GLU 6 -8.709 41.315 12.822 571 HG2 GLU 6 1HG GLU 6 -10.415 40.302 14.463 572 HG3 GLU 6 2HG GLU 6 -9.914 41.602 15.543 573 H GLU 7 H GLU 7 -6.139 39.864 12.354 574 HA GLU 7 HA GLU 7 -7.665 38.270 10.566 575 HB2 GLU 7 1HB GLU 7 -5.421 39.846 10.348 576 HB3 GLU 7 2HB GLU 7 -4.764 38.226 10.162 577 HG2 GLU 7 1HG GLU 7 -5.259 38.605 8.001 578 HG3 GLU 7 2HG GLU 7 -6.846 38.026 8.505 579 H ALA 8 H ALA 8 -4.933 37.568 12.717 580 HA ALA 8 HA ALA 8 -4.622 34.864 12.011 581 HB1 ALA 8 3HB ALA 8 -3.794 36.548 14.319 582 HB2 ALA 8 1HB ALA 8 -3.674 34.795 14.470 583 HB3 ALA 8 2HB ALA 8 -2.812 35.629 13.177 584 H ALA 9 H ALA 9 -6.358 36.332 14.757 585 HA ALA 9 HA ALA 9 -7.354 33.984 15.874 586 HB1 ALA 9 3HB ALA 9 -7.625 36.727 16.344 587 HB2 ALA 9 1HB ALA 9 -9.267 36.118 16.126 588 HB3 ALA 9 2HB ALA 9 -8.215 35.404 17.349 589 H LYS 10 H LYS 10 -8.417 35.797 13.095 590 HA LYS 10 HA LYS 10 -10.988 34.545 12.898 591 HB2 LYS 10 1HB LYS 10 -10.734 36.713 11.917 592 HB3 LYS 10 2HB LYS 10 -9.351 36.188 10.965 593 HG2 LYS 10 1HG LYS 10 -11.696 34.587 10.412 594 HG3 LYS 10 2HG LYS 10 -11.989 36.306 10.137 595 HD2 LYS 10 1HD LYS 10 -9.444 35.197 9.106 596 HD3 LYS 10 2HD LYS 10 -10.923 34.695 8.285 597 HE2 LYS 10 1HE LYS 10 -11.510 36.965 7.815 598 HE3 LYS 10 2HE LYS 10 -10.203 37.569 8.833 599 HZ1 LYS 10 3HZ LYS 10 -9.960 36.154 6.239 600 HZ2 LYS 10 1HZ LYS 10 -8.646 36.440 7.264 601 HZ3 LYS 10 2HZ LYS 10 -9.496 37.740 6.596 602 H LEU 11 H LEU 11 -7.780 33.921 11.639 603 HA LEU 11 HA LEU 11 -8.460 32.080 9.630 604 HG LEU 11 HG LEU 11 -6.801 33.034 8.428 605 HB2 LEU 11 1HB LEU 11 -6.064 32.949 11.017 606 HB3 LEU 11 2HB LEU 11 -6.021 31.229 10.633 607 HD11 LEU 11 1HD1 LEU 11 -4.015 33.011 8.327 608 HD12 LEU 11 2HD1 LEU 11 -4.416 33.507 9.970 609 HD13 LEU 11 3HD1 LEU 11 -5.063 34.404 8.597 610 HD21 LEU 11 3HD2 LEU 11 -5.008 30.631 8.726 611 HD22 LEU 11 1HD2 LEU 11 -5.267 31.491 7.209 612 HD23 LEU 11 2HD2 LEU 11 -6.618 30.686 8.008 613 H PHE 12 H PHE 12 -8.140 31.755 13.091 614 HA PHE 12 HA PHE 12 -7.874 29.000 13.339 615 HD1 PHE 12 HD1 PHE 12 -6.379 31.287 14.095 616 HD2 PHE 12 HD2 PHE 12 -7.934 28.930 17.279 617 HE1 PHE 12 HE1 PHE 12 -4.154 31.247 15.146 618 HE2 PHE 12 HE2 PHE 12 -5.713 28.886 18.336 619 HZ PHE 12 HZ PHE 12 -3.820 30.046 17.270 620 HB2 PHE 12 1HB PHE 12 -9.053 31.139 15.062 621 HB3 PHE 12 2HB PHE 12 -9.302 29.456 15.514 622 H GLU 13 H GLU 13 -10.765 30.959 12.834 623 HA GLU 13 HA GLU 13 -12.594 28.782 13.103 624 HB2 GLU 13 1HB GLU 13 -13.325 31.069 13.497 625 HB3 GLU 13 2HB GLU 13 -12.928 31.508 11.842 626 HG2 GLU 13 1HG GLU 13 -14.627 29.796 11.108 627 HG3 GLU 13 2HG GLU 13 -15.126 29.701 12.795 628 H GLU 14 H GLU 14 -10.904 30.300 10.422 629 HA GLU 14 HA GLU 14 -12.303 29.228 8.278 630 HB2 GLU 14 1HB GLU 14 -9.957 30.697 8.625 631 HB3 GLU 14 2HB GLU 14 -9.439 29.234 7.800 632 HG2 GLU 14 1HG GLU 14 -9.981 30.363 5.950 633 HG3 GLU 14 2HG GLU 14 -11.628 29.877 6.351 634 H TRP 15 H TRP 15 -10.153 27.698 10.511 635 HA TRP 15 HA TRP 15 -9.332 25.483 9.012 636 HD1 TRP 15 HD1 TRP 15 -7.377 26.447 9.186 637 HE1 TRP 15 HE1 TRP 15 -5.340 27.664 10.185 638 HE3 TRP 15 HE3 TRP 15 -8.488 25.950 14.152 639 HZ2 TRP 15 HZ2 TRP 15 -4.337 28.327 12.739 640 HZ3 TRP 15 HZ3 TRP 15 -6.938 26.903 15.808 641 HH2 TRP 15 HH2 TRP 15 -4.906 28.066 15.114 642 HB2 TRP 15 1HB TRP 15 -9.859 25.706 11.982 643 HB3 TRP 15 2HB TRP 15 -9.010 24.368 11.213 644 H LYS 16 H LYS 16 -12.245 26.017 10.944 645 HA LYS 16 HA LYS 16 -13.275 23.393 10.684 646 HB2 LYS 16 1HB LYS 16 -15.216 24.200 11.705 647 HB3 LYS 16 2HB LYS 16 -13.954 25.247 12.340 648 HG2 LYS 16 1HG LYS 16 -14.730 26.634 10.139 649 HG3 LYS 16 2HG LYS 16 -16.248 25.876 10.630 650 HD2 LYS 16 1HD LYS 16 -14.449 27.513 12.419 651 HD3 LYS 16 2HD LYS 16 -15.937 28.089 11.661 652 HE2 LYS 16 1HE LYS 16 -17.127 26.210 12.849 653 HE3 LYS 16 2HE LYS 16 -15.635 25.938 13.748 654 HZ1 LYS 16 3HZ LYS 16 -15.830 28.418 14.313 655 HZ2 LYS 16 1HZ LYS 16 -16.847 27.332 15.117 656 HZ3 LYS 16 2HZ LYS 16 -17.446 28.263 13.839 657 H LYS 17 H LYS 17 -13.165 26.085 8.554 658 HA LYS 17 HA LYS 17 -15.416 25.575 6.954 659 HB2 LYS 17 1HB LYS 17 -13.810 27.608 6.972 660 HB3 LYS 17 2HB LYS 17 -12.840 26.662 5.852 661 HG2 LYS 17 1HG LYS 17 -14.234 27.032 4.142 662 HG3 LYS 17 2HG LYS 17 -15.674 26.818 5.141 663 HD2 LYS 17 1HD LYS 17 -15.901 29.023 5.471 664 HD3 LYS 17 2HD LYS 17 -14.176 29.244 5.774 665 HE2 LYS 17 1HE LYS 17 -14.790 28.635 2.989 666 HE3 LYS 17 2HE LYS 17 -15.555 30.117 3.558 667 HZ1 LYS 17 3HZ LYS 17 -13.581 31.155 3.784 668 HZ2 LYS 17 1HZ LYS 17 -13.082 30.033 2.621 669 HZ3 LYS 17 2HZ LYS 17 -12.754 29.758 4.257 670 H LEU 18 H LEU 18 -12.030 24.554 6.550 671 HA LEU 18 HA LEU 18 -12.625 22.914 4.278 672 HG LEU 18 HG LEU 18 -9.096 23.931 3.901 673 HB2 LEU 18 1HB LEU 18 -10.237 23.495 5.944 674 HB3 LEU 18 2HB LEU 18 -10.234 22.007 4.999 675 HD11 LEU 18 1HD1 LEU 18 -9.540 22.726 2.095 676 HD12 LEU 18 2HD1 LEU 18 -11.035 23.639 1.894 677 HD13 LEU 18 3HD1 LEU 18 -11.039 22.132 2.810 678 HD21 LEU 18 3HD2 LEU 18 -10.618 25.686 4.723 679 HD22 LEU 18 1HD2 LEU 18 -11.888 25.049 3.678 680 HD23 LEU 18 2HD2 LEU 18 -10.423 25.727 2.969 681 H ALA 19 H ALA 19 -12.333 22.417 7.731 682 HA ALA 19 HA ALA 19 -12.115 19.626 7.777 683 HB1 ALA 19 3HB ALA 19 -11.786 21.142 9.725 684 HB2 ALA 19 1HB ALA 19 -13.538 21.332 9.813 685 HB3 ALA 19 2HB ALA 19 -12.808 19.746 10.067 686 H GLU 20 H GLU 20 -14.980 21.719 7.760 687 HA GLU 20 HA GLU 20 -16.861 19.602 7.940 688 HB2 GLU 20 1HB GLU 20 -17.495 21.851 8.565 689 HB3 GLU 20 2HB GLU 20 -17.148 22.441 6.945 690 HG2 GLU 20 1HG GLU 20 -19.090 21.661 6.091 691 HG3 GLU 20 2HG GLU 20 -19.131 20.263 7.164 692 H GLU 21 H GLU 21 -15.216 21.168 5.283 693 HA GLU 21 HA GLU 21 -16.888 20.099 3.228 694 HB2 GLU 21 1HB GLU 21 -14.677 21.898 3.402 695 HB3 GLU 21 2HB GLU 21 -14.297 20.669 2.204 696 HG2 GLU 21 1HG GLU 21 -15.990 21.305 0.804 697 HG3 GLU 21 2HG GLU 21 -16.966 21.974 2.110 698 H ALA 22 H ALA 22 -14.010 19.031 4.897 699 HA ALA 22 HA ALA 22 -13.317 16.954 3.080 700 HB1 ALA 22 3HB ALA 22 -11.690 16.318 4.632 701 HB2 ALA 22 1HB ALA 22 -11.843 18.061 4.855 702 HB3 ALA 22 2HB ALA 22 -12.610 16.955 5.995 703 H ALA 23 H ALA 23 -15.480 17.196 5.812 704 HA ALA 23 HA ALA 23 -15.830 14.458 6.345 705 HB1 ALA 23 3HB ALA 23 -17.777 16.731 6.721 706 HB2 ALA 23 1HB ALA 23 -17.916 15.128 7.445 707 HB3 ALA 23 2HB ALA 23 -16.574 16.184 7.888 708 H LYS 24 H LYS 24 -17.220 16.575 3.932 709 HA LYS 24 HA LYS 24 -19.374 14.935 3.142 710 HB2 LYS 24 1HB LYS 24 -18.572 17.437 2.497 711 HB3 LYS 24 2HB LYS 24 -18.051 16.569 1.059 712 HG2 LYS 24 1HG LYS 24 -20.314 15.743 0.720 713 HG3 LYS 24 2HG LYS 24 -20.846 16.572 2.184 714 HD2 LYS 24 1HD LYS 24 -20.689 18.659 1.220 715 HD3 LYS 24 2HD LYS 24 -19.490 18.137 0.034 716 HE2 LYS 24 1HE LYS 24 -21.156 16.979 -1.235 717 HE3 LYS 24 2HE LYS 24 -22.367 17.238 0.020 718 HZ1 LYS 24 3HZ LYS 24 -21.155 19.655 -0.994 719 HZ2 LYS 24 1HZ LYS 24 -22.783 19.300 -0.702 720 HZ3 LYS 24 2HZ LYS 24 -22.054 18.798 -2.143 721 H LEU 25 H LEU 25 -15.978 14.977 2.277 722 HA LEU 25 HA LEU 25 -16.235 13.178 0.069 723 HG LEU 25 HG LEU 25 -15.100 15.472 -0.327 724 HB2 LEU 25 1HB LEU 25 -13.902 14.157 1.687 725 HB3 LEU 25 2HB LEU 25 -13.717 12.962 0.404 726 HD11 LEU 25 1HD1 LEU 25 -12.966 15.877 1.216 727 HD12 LEU 25 2HD1 LEU 25 -13.347 16.898 -0.170 728 HD13 LEU 25 3HD1 LEU 25 -12.144 15.617 -0.323 729 HD21 LEU 25 3HD2 LEU 25 -14.503 13.494 -1.829 730 HD22 LEU 25 1HD2 LEU 25 -12.838 14.066 -1.713 731 HD23 LEU 25 2HD2 LEU 25 -14.082 15.108 -2.405 732 H LEU 26 H LEU 26 -15.722 12.851 3.506 733 HA LEU 26 HA LEU 26 -14.918 10.103 3.407 734 HG LEU 26 HG LEU 26 -13.422 9.930 5.301 735 HB2 LEU 26 1HB LEU 26 -15.498 12.107 5.488 736 HB3 LEU 26 2HB LEU 26 -15.781 10.429 5.943 737 HD11 LEU 26 1HD1 LEU 26 -11.871 11.808 5.064 738 HD12 LEU 26 2HD1 LEU 26 -13.230 12.931 5.083 739 HD13 LEU 26 3HD1 LEU 26 -13.059 11.775 3.762 740 HD21 LEU 26 3HD2 LEU 26 -13.397 10.086 7.540 741 HD22 LEU 26 1HD2 LEU 26 -14.324 11.586 7.547 742 HD23 LEU 26 2HD2 LEU 26 -12.584 11.626 7.256 743 H GLU 27 H GLU 27 -17.930 11.805 3.493 744 HA GLU 27 HA GLU 27 -19.411 9.370 4.155 745 HB2 GLU 27 1HB GLU 27 -21.314 10.746 4.485 746 HB3 GLU 27 2HB GLU 27 -19.962 11.603 5.213 747 HG2 GLU 27 1HG GLU 27 -19.788 12.979 3.165 748 HG3 GLU 27 2HG GLU 27 -21.227 12.173 2.544 749 H GLY 28 H GLY 28 -18.611 11.426 1.481 750 HA2 GLY 28 1HA GLY 28 -20.679 10.814 -0.299 751 HA3 GLY 28 2HA GLY 28 -19.045 11.258 -0.766 752 H GLY 29 H GLY 29 -18.043 8.860 0.804 753 HA2 GLY 29 1HA GLY 29 -18.199 7.014 -1.425 754 HA3 GLY 29 2HA GLY 29 -17.187 6.849 0.001 755 H GLY 30 H GLY 30 -19.573 7.314 1.757 756 HA2 GLY 30 1HA GLY 30 -21.695 5.707 1.550 757 HA3 GLY 30 2HA GLY 30 -20.417 4.532 1.824 758 H GLY 31 H GLY 31 -22.258 7.158 3.217 759 HA2 GLY 31 1HA GLY 31 -22.092 6.075 5.827 760 HA3 GLY 31 2HA GLY 31 -20.973 7.422 5.676 761 H GLY 32 H GLY 32 -24.351 6.672 4.787 762 HA2 GLY 32 1HA GLY 32 -25.193 9.381 4.934 763 HA3 GLY 32 2HA GLY 32 -26.244 7.973 4.883 764 H GLY 33 H GLY 33 -27.020 7.083 6.794 765 HA2 GLY 33 1HA GLY 33 -27.324 8.898 8.956 766 HA3 GLY 33 2HA GLY 33 -27.857 7.223 8.931 767 H GLY 34 H GLY 34 -26.071 5.576 9.212 768 HA2 GLY 34 1HA GLY 34 -24.571 6.309 11.572 769 HA3 GLY 34 2HA GLY 34 -24.678 4.708 10.857 770 H GLY 35 H GLY 35 -22.971 7.747 10.867 771 HA2 GLY 35 1HA GLY 35 -20.742 6.414 9.493 772 HA3 GLY 35 2HA GLY 35 -21.304 7.964 8.887 773 H GLU 36 H GLU 36 -19.346 6.361 11.176 774 HA GLU 36 HA GLU 36 -19.067 8.476 13.057 775 HB2 GLU 36 1HB GLU 36 -18.488 6.266 13.758 776 HB3 GLU 36 2HB GLU 36 -17.360 6.071 12.424 777 HG2 GLU 36 1HG GLU 36 -15.929 7.810 13.401 778 HG3 GLU 36 2HG GLU 36 -17.048 7.947 14.756 779 H LEU 37 H LEU 37 -17.592 7.733 9.999 780 HA LEU 37 HA LEU 37 -15.249 9.251 10.196 781 HG LEU 37 HG LEU 37 -16.558 6.646 8.602 782 HB2 LEU 37 1HB LEU 37 -16.910 8.869 7.714 783 HB3 LEU 37 2HB LEU 37 -15.183 9.210 7.800 784 HD11 LEU 37 1HD1 LEU 37 -14.750 5.949 6.763 785 HD12 LEU 37 2HD1 LEU 37 -15.111 7.580 6.200 786 HD13 LEU 37 3HD1 LEU 37 -16.408 6.395 6.360 787 HD21 LEU 37 3HD2 LEU 37 -13.666 7.473 8.790 788 HD22 LEU 37 1HD2 LEU 37 -14.242 5.815 8.947 789 HD23 LEU 37 2HD2 LEU 37 -14.740 7.035 10.119 790 H MET 38 H MET 38 -18.561 10.184 9.644 791 HA MET 38 HA MET 38 -18.048 12.785 8.633 792 HB2 MET 38 1HB MET 38 -20.207 11.700 8.313 793 HB3 MET 38 2HB MET 38 -20.478 11.679 10.052 794 HG2 MET 38 1HG MET 38 -21.358 13.702 9.991 795 HG3 MET 38 2HG MET 38 -19.920 14.351 9.204 796 HE1 MET 38 3HE MET 38 -23.714 12.688 7.484 797 HE2 MET 38 1HE MET 38 -22.385 11.670 6.928 798 HE3 MET 38 2HE MET 38 -22.639 11.923 8.654 799 H LYS 39 H LYS 39 -18.727 11.537 11.882 800 HA LYS 39 HA LYS 39 -18.552 14.125 13.109 801 HB2 LYS 39 1HB LYS 39 -18.747 12.913 15.220 802 HB3 LYS 39 2HB LYS 39 -19.951 12.351 14.068 803 HG2 LYS 39 1HG LYS 39 -18.718 10.357 13.638 804 HG3 LYS 39 2HG LYS 39 -17.337 10.948 14.566 805 HD2 LYS 39 1HD LYS 39 -18.510 9.387 15.937 806 HD3 LYS 39 2HD LYS 39 -18.827 11.000 16.580 807 HE2 LYS 39 1HE LYS 39 -20.924 10.896 15.036 808 HE3 LYS 39 2HE LYS 39 -20.649 9.156 15.089 809 HZ1 LYS 39 3HZ LYS 39 -21.493 9.053 17.124 810 HZ2 LYS 39 1HZ LYS 39 -21.994 10.659 16.948 811 HZ3 LYS 39 2HZ LYS 39 -20.514 10.312 17.687 812 H LEU 40 H LEU 40 -16.362 11.498 12.441 813 HA LEU 40 HA LEU 40 -14.315 12.089 14.249 814 HG LEU 40 HG LEU 40 -12.408 9.376 12.678 815 HB2 LEU 40 1HB LEU 40 -14.697 10.183 12.398 816 HB3 LEU 40 2HB LEU 40 -13.536 11.194 11.542 817 HD11 LEU 40 1HD1 LEU 40 -11.711 11.714 14.375 818 HD12 LEU 40 2HD1 LEU 40 -11.566 11.875 12.625 819 HD13 LEU 40 3HD1 LEU 40 -10.667 10.617 13.471 820 HD21 LEU 40 3HD2 LEU 40 -12.507 9.928 15.367 821 HD22 LEU 40 1HD2 LEU 40 -13.361 8.619 14.550 822 HD23 LEU 40 2HD2 LEU 40 -14.181 10.150 14.857 823 H CYS 41 H CYS 41 -15.026 13.409 11.056 824 HA CYS 41 HA CYS 41 -12.653 14.929 10.798 825 HG CYS 41 HG CYS 41 -12.323 15.256 7.848 826 HB2 CYS 41 1HB CYS 41 -15.291 14.832 9.434 827 HB3 CYS 41 2HB CYS 41 -14.346 16.303 9.240 828 H GLU 42 H GLU 42 -15.942 15.828 11.820 829 HA GLU 42 HA GLU 42 -15.392 18.524 12.359 830 HB2 GLU 42 1HB GLU 42 -17.659 17.241 12.226 831 HB3 GLU 42 2HB GLU 42 -17.409 16.968 13.944 832 HG2 GLU 42 1HG GLU 42 -17.388 19.323 14.380 833 HG3 GLU 42 2HG GLU 42 -17.431 19.685 12.655 834 H GLU 43 H GLU 43 -14.850 15.629 14.219 835 HA GLU 43 HA GLU 43 -14.592 16.655 16.781 836 HB2 GLU 43 1HB GLU 43 -14.358 14.207 15.802 837 HB3 GLU 43 2HB GLU 43 -12.643 14.594 15.852 838 HG2 GLU 43 1HG GLU 43 -12.989 15.214 18.277 839 HG3 GLU 43 2HG GLU 43 -14.582 14.472 18.140 840 H ALA 44 H ALA 44 -12.400 16.834 14.065 841 HA ALA 44 HA ALA 44 -10.109 17.679 15.514 842 HB1 ALA 44 3HB ALA 44 -9.140 17.394 13.539 843 HB2 ALA 44 1HB ALA 44 -10.724 17.051 12.843 844 HB3 ALA 44 2HB ALA 44 -10.097 18.700 12.840 845 H ALA 45 H ALA 45 -12.729 19.397 13.875 846 HA ALA 45 HA ALA 45 -11.613 21.995 14.337 847 HB1 ALA 45 3HB ALA 45 -13.397 22.823 13.166 848 HB2 ALA 45 1HB ALA 45 -13.364 21.169 12.554 849 HB3 ALA 45 2HB ALA 45 -14.519 21.623 13.808 850 H LYS 46 H LYS 46 -13.628 19.816 16.119 851 HA LYS 46 HA LYS 46 -15.009 21.536 17.802 852 HB2 LYS 46 1HB LYS 46 -14.680 18.806 17.606 853 HB3 LYS 46 2HB LYS 46 -13.950 19.170 19.164 854 HG2 LYS 46 1HG LYS 46 -16.127 20.502 19.599 855 HG3 LYS 46 2HG LYS 46 -16.777 19.537 18.270 856 HD2 LYS 46 1HD LYS 46 -16.756 17.618 19.480 857 HD3 LYS 46 2HD LYS 46 -15.298 18.067 20.366 858 HE2 LYS 46 1HE LYS 46 -16.665 19.699 21.656 859 HE3 LYS 46 2HE LYS 46 -18.099 19.076 20.844 860 HZ1 LYS 46 3HZ LYS 46 -17.416 16.838 21.744 861 HZ2 LYS 46 1HZ LYS 46 -17.975 17.956 22.883 862 HZ3 LYS 46 2HZ LYS 46 -16.317 17.659 22.734 863 H LYS 47 H LYS 47 -11.751 20.178 18.198 864 HA LYS 47 HA LYS 47 -11.152 21.245 20.694 865 HB2 LYS 47 1HB LYS 47 -9.417 20.578 18.324 866 HB3 LYS 47 2HB LYS 47 -8.736 21.180 19.829 867 HG2 LYS 47 1HG LYS 47 -10.523 18.774 19.762 868 HG3 LYS 47 2HG LYS 47 -8.787 18.657 19.470 869 HD2 LYS 47 1HD LYS 47 -8.340 19.654 21.650 870 HD3 LYS 47 2HD LYS 47 -10.073 19.828 21.938 871 HE2 LYS 47 1HE LYS 47 -9.640 17.136 21.242 872 HE3 LYS 47 2HE LYS 47 -8.372 17.564 22.390 873 HZ1 LYS 47 3HZ LYS 47 -9.833 17.521 24.038 874 HZ2 LYS 47 1HZ LYS 47 -10.995 16.925 22.963 875 HZ3 LYS 47 2HZ LYS 47 -10.874 18.589 23.240 876 H ALA 48 H ALA 48 -11.126 22.743 17.530 877 HA ALA 48 HA ALA 48 -9.709 25.092 18.311 878 HB1 ALA 48 3HB ALA 48 -9.590 25.182 16.092 879 HB2 ALA 48 1HB ALA 48 -10.929 24.049 15.906 880 HB3 ALA 48 2HB ALA 48 -11.252 25.772 16.105 881 H GLU 49 H GLU 49 -13.022 24.067 18.471 882 HA GLU 49 HA GLU 49 -14.148 26.679 18.783 883 HB2 GLU 49 1HB GLU 49 -15.112 24.000 18.540 884 HB3 GLU 49 2HB GLU 49 -15.828 24.719 19.976 885 HG2 GLU 49 1HG GLU 49 -16.443 26.689 18.503 886 HG3 GLU 49 2HG GLU 49 -16.017 25.662 17.136 887 H GLU 50 H GLU 50 -12.889 24.221 20.938 888 HA GLU 50 HA GLU 50 -13.844 25.544 23.318 889 HB2 GLU 50 1HB GLU 50 -13.686 23.161 23.420 890 HB3 GLU 50 2HB GLU 50 -12.017 23.186 22.866 891 HG2 GLU 50 1HG GLU 50 -11.262 24.103 24.923 892 HG3 GLU 50 2HG GLU 50 -12.912 24.395 25.467 893 H LEU 51 H LEU 51 -10.872 25.353 21.470 894 HA LEU 51 HA LEU 51 -9.256 26.664 23.439 895 HG LEU 51 HG LEU 51 -7.530 25.222 23.192 896 HB2 LEU 51 1HB LEU 51 -8.873 25.383 20.918 897 HB3 LEU 51 2HB LEU 51 -8.127 26.979 20.864 898 HD11 LEU 51 1HD1 LEU 51 -5.963 23.909 22.074 899 HD12 LEU 51 2HD1 LEU 51 -6.002 24.921 20.631 900 HD13 LEU 51 3HD1 LEU 51 -7.371 23.878 21.014 901 HD21 LEU 51 3HD2 LEU 51 -6.709 27.571 22.964 902 HD22 LEU 51 1HD2 LEU 51 -5.784 27.052 21.555 903 HD23 LEU 51 2HD2 LEU 51 -5.433 26.366 23.142 904 H PHE 52 H PHE 52 -11.274 27.671 20.789 905 HA PHE 52 HA PHE 52 -10.298 30.194 20.230 906 HD1 PHE 52 HD1 PHE 52 -12.314 28.859 17.296 907 HD2 PHE 52 HD2 PHE 52 -11.984 32.427 19.594 908 HE1 PHE 52 HE1 PHE 52 -12.005 30.158 15.229 909 HE2 PHE 52 HE2 PHE 52 -11.675 33.731 17.530 910 HZ PHE 52 HZ PHE 52 -11.687 32.597 15.344 911 HB2 PHE 52 1HB PHE 52 -12.570 28.740 19.564 912 HB3 PHE 52 2HB PHE 52 -13.208 30.169 20.372 913 H LYS 53 H LYS 53 -12.177 29.099 22.974 914 HA LYS 53 HA LYS 53 -13.009 31.559 23.999 915 HB2 LYS 53 1HB LYS 53 -13.402 29.020 24.749 916 HB3 LYS 53 2HB LYS 53 -12.160 29.451 25.917 917 HG2 LYS 53 1HG LYS 53 -14.198 31.490 25.750 918 HG3 LYS 53 2HG LYS 53 -14.887 29.910 26.130 919 HD2 LYS 53 1HD LYS 53 -13.901 29.825 28.162 920 HD3 LYS 53 2HD LYS 53 -12.432 30.625 27.599 921 HE2 LYS 53 1HE LYS 53 -13.578 32.036 29.196 922 HE3 LYS 53 2HE LYS 53 -13.633 32.774 27.596 923 HZ1 LYS 53 3HZ LYS 53 -15.884 32.049 27.327 924 HZ2 LYS 53 1HZ LYS 53 -15.766 32.874 28.800 925 HZ3 LYS 53 2HZ LYS 53 -15.842 31.184 28.781 926 H LEU 54 H LEU 54 -10.074 29.690 24.761 927 HA LEU 54 HA LEU 54 -8.990 31.795 26.387 928 HG LEU 54 HG LEU 54 -8.935 29.825 27.986 929 HB2 LEU 54 1HB LEU 54 -8.288 29.056 25.665 930 HB3 LEU 54 2HB LEU 54 -6.891 30.124 25.795 931 HD11 LEU 54 1HD1 LEU 54 -6.550 28.167 27.316 932 HD12 LEU 54 2HD1 LEU 54 -8.122 27.678 27.945 933 HD13 LEU 54 3HD1 LEU 54 -6.952 28.463 29.007 934 HD21 LEU 54 3HD2 LEU 54 -6.136 30.940 27.885 935 HD22 LEU 54 1HD2 LEU 54 -7.071 30.706 29.362 936 HD23 LEU 54 2HD2 LEU 54 -7.631 31.842 28.134 937 H ALA 55 H ALA 55 -8.832 30.866 23.054 938 HA ALA 55 HA ALA 55 -6.432 32.198 22.360 939 HB1 ALA 55 3HB ALA 55 -7.429 30.480 20.941 940 HB2 ALA 55 1HB ALA 55 -8.810 31.532 20.629 941 HB3 ALA 55 2HB ALA 55 -7.207 31.988 20.053 942 H GLU 56 H GLU 56 -9.639 33.300 22.986 943 HA GLU 56 HA GLU 56 -9.457 35.753 21.526 944 HB2 GLU 56 1HB GLU 56 -11.525 34.381 22.596 945 HB3 GLU 56 2HB GLU 56 -11.289 35.598 23.843 946 HG2 GLU 56 1HG GLU 56 -11.538 37.362 22.185 947 HG3 GLU 56 2HG GLU 56 -11.746 36.152 20.920 948 H GLU 57 H GLU 57 -9.282 34.951 24.994 949 HA GLU 57 HA GLU 57 -8.615 37.570 25.827 950 HB2 GLU 57 1HB GLU 57 -8.688 34.880 27.058 951 HB3 GLU 57 2HB GLU 57 -7.613 36.044 27.821 952 HG2 GLU 57 1HG GLU 57 -9.905 37.499 27.471 953 HG3 GLU 57 2HG GLU 57 -10.521 35.888 27.832 954 H ARG 58 H ARG 58 -6.772 35.011 24.451 955 HA ARG 58 HA ARG 58 -4.231 35.422 25.434 956 HE ARG 58 HE ARG 58 -3.394 33.448 26.518 957 HB2 ARG 58 1HB ARG 58 -5.316 34.492 22.820 958 HB3 ARG 58 2HB ARG 58 -3.600 34.867 22.910 959 HG2 ARG 58 1HG ARG 58 -4.853 33.065 24.936 960 HG3 ARG 58 2HG ARG 58 -4.403 32.450 23.344 961 HD2 ARG 58 1HD ARG 58 -2.355 32.148 24.167 962 HD3 ARG 58 2HD ARG 58 -2.191 33.904 24.156 963 HH11 ARG 58 1HH1 ARG 58 -0.592 32.048 24.998 964 HH12 ARG 58 2HH1 ARG 58 0.214 31.713 26.494 965 HH21 ARG 58 2HH2 ARG 58 -0.783 32.261 28.482 966 HH22 ARG 58 1HH2 ARG 58 -2.342 33.012 28.495 967 H LEU 59 H LEU 59 -5.155 36.696 22.245 968 HA LEU 59 HA LEU 59 -3.593 39.117 22.868 969 HG LEU 59 HG LEU 59 -4.893 36.909 20.279 970 HB2 LEU 59 1HB LEU 59 -3.470 39.222 20.273 971 HB3 LEU 59 2HB LEU 59 -2.385 38.162 21.170 972 HD11 LEU 59 1HD1 LEU 59 -2.807 37.781 18.286 973 HD12 LEU 59 2HD1 LEU 59 -4.481 38.330 18.357 974 HD13 LEU 59 3HD1 LEU 59 -4.120 36.648 17.967 975 HD21 LEU 59 3HD2 LEU 59 -2.500 36.058 21.262 976 HD22 LEU 59 1HD2 LEU 59 -2.287 35.799 19.530 977 HD23 LEU 59 2HD2 LEU 59 -3.643 35.050 20.374 978 H LYS 60 H LYS 60 -6.430 38.667 23.387 979 HA LYS 60 HA LYS 60 -7.430 41.093 22.232 980 HB2 LYS 60 1HB LYS 60 -7.839 38.966 20.630 981 HB3 LYS 60 2HB LYS 60 -9.255 38.828 21.663 982 HG2 LYS 60 1HG LYS 60 -9.380 41.442 21.074 983 HG3 LYS 60 2HG LYS 60 -8.585 40.840 19.618 984 HD2 LYS 60 1HD LYS 60 -10.443 39.055 19.602 985 HD3 LYS 60 2HD LYS 60 -11.279 40.127 20.729 986 HE2 LYS 60 1HE LYS 60 -11.762 41.635 19.128 987 HE3 LYS 60 2HE LYS 60 -10.196 41.448 18.340 988 HZ1 LYS 60 3HZ LYS 60 -12.669 39.909 17.937 989 HZ2 LYS 60 1HZ LYS 60 -11.176 39.177 17.623 990 HZ3 LYS 60 2HZ LYS 60 -11.623 40.578 16.788 991 H LYS 61 H LYS 61 -6.964 40.502 24.837 992 HA LYS 61 HA LYS 61 -9.214 39.438 26.208 993 HB2 LYS 61 1HB LYS 61 -6.760 39.789 27.018 994 HB3 LYS 61 2HB LYS 61 -7.316 41.401 27.452 995 HG2 LYS 61 1HG LYS 61 -8.757 40.607 29.080 996 HG3 LYS 61 2HG LYS 61 -8.814 38.987 28.382 997 HD2 LYS 61 1HD LYS 61 -7.399 38.528 30.089 998 HD3 LYS 61 2HD LYS 61 -6.195 39.135 28.948 999 HE2 LYS 61 1HE LYS 61 -5.925 41.107 30.074 1000 HE3 LYS 61 2HE LYS 61 -7.570 41.098 30.706 1001 HZ1 LYS 61 3HZ LYS 61 -5.968 40.716 32.461 1002 HZ2 LYS 61 1HZ LYS 61 -5.340 39.375 31.642 1003 HZ3 LYS 61 2HZ LYS 61 -6.922 39.336 32.238 1004 H LEU 62 H LEU 62 -10.563 40.695 27.733 1005 HA LEU 62 HA LEU 62 -12.101 42.309 28.178 1006 HG LEU 62 HG LEU 62 -12.068 44.451 29.239 1007 HB2 LEU 62 1HB LEU 62 -9.867 43.626 28.267 1008 HB3 LEU 62 2HB LEU 62 -10.406 44.309 26.735 1009 HD11 LEU 62 1HD1 LEU 62 -9.653 45.540 29.228 1010 HD12 LEU 62 2HD1 LEU 62 -11.045 46.359 29.935 1011 HD13 LEU 62 3HD1 LEU 62 -10.497 46.792 28.317 1012 HD21 LEU 62 3HD2 LEU 62 -13.265 44.823 27.166 1013 HD22 LEU 62 1HD2 LEU 62 -12.064 46.010 26.657 1014 HD23 LEU 62 2HD2 LEU 62 -13.097 46.343 28.046 Start of MODEL 7 1 HA MET 1 HA MET 1 -4.445 4.178 -6.766 2 H1 MET 1 1H MET 1 -4.289 6.222 -8.434 3 HB2 MET 1 1HB MET 1 -2.147 5.867 -5.763 4 HB3 MET 1 2HB MET 1 -2.897 4.541 -4.885 5 HG2 MET 1 1HG MET 1 -2.248 3.080 -6.863 6 HG3 MET 1 2HG MET 1 -1.225 4.423 -7.368 7 HE1 MET 1 3HE MET 1 -1.418 1.250 -5.074 8 HE2 MET 1 1HE MET 1 -0.606 1.353 -6.637 9 HE3 MET 1 2HE MET 1 0.339 1.123 -5.166 10 H LYS 2 H LYS 2 -5.409 4.628 -4.653 11 HA LYS 2 HA LYS 2 -6.789 5.779 -3.256 12 HB2 LYS 2 1HB LYS 2 -5.569 8.324 -4.317 13 HB3 LYS 2 2HB LYS 2 -6.319 8.057 -2.749 14 HG2 LYS 2 1HG LYS 2 -4.315 7.651 -1.908 15 HG3 LYS 2 2HG LYS 2 -4.211 6.213 -2.928 16 HD2 LYS 2 1HD LYS 2 -2.438 7.208 -3.864 17 HD3 LYS 2 2HD LYS 2 -3.610 8.249 -4.676 18 HE2 LYS 2 1HE LYS 2 -2.134 9.760 -3.704 19 HE3 LYS 2 2HE LYS 2 -3.467 9.697 -2.551 20 HZ1 LYS 2 3HZ LYS 2 -1.471 9.560 -1.319 21 HZ2 LYS 2 1HZ LYS 2 -0.827 8.368 -2.333 22 HZ3 LYS 2 2HZ LYS 2 -2.129 8.001 -1.319 23 H LYS 3 H LYS 3 -8.895 6.005 -3.583 24 HA LYS 3 HA LYS 3 -9.797 7.267 -6.086 25 HB2 LYS 3 1HB LYS 3 -11.945 5.973 -5.600 26 HB3 LYS 3 2HB LYS 3 -10.543 5.034 -6.096 27 HG2 LYS 3 1HG LYS 3 -10.395 3.966 -4.124 28 HG3 LYS 3 2HG LYS 3 -10.855 5.394 -3.194 29 HD2 LYS 3 1HD LYS 3 -13.091 4.939 -3.343 30 HD3 LYS 3 2HD LYS 3 -12.928 4.103 -4.889 31 HE2 LYS 3 1HE LYS 3 -12.571 2.109 -3.911 32 HE3 LYS 3 2HE LYS 3 -11.566 2.802 -2.640 33 HZ1 LYS 3 3HZ LYS 3 -14.501 3.151 -2.657 34 HZ2 LYS 3 1HZ LYS 3 -13.426 3.340 -1.364 35 HZ3 LYS 3 2HZ LYS 3 -13.775 1.794 -1.956 36 H LEU 4 H LEU 4 -10.220 7.171 -2.606 37 HA LEU 4 HA LEU 4 -11.041 9.837 -2.411 38 HG LEU 4 HG LEU 4 -12.815 6.691 -2.375 39 HB2 LEU 4 1HB LEU 4 -13.408 9.419 -1.659 40 HB3 LEU 4 2HB LEU 4 -13.107 9.285 -3.390 41 HD11 LEU 4 1HD1 LEU 4 -13.964 7.581 -0.331 42 HD12 LEU 4 2HD1 LEU 4 -14.792 6.250 -1.135 43 HD13 LEU 4 3HD1 LEU 4 -15.371 7.901 -1.346 44 HD21 LEU 4 3HD2 LEU 4 -14.689 6.205 -3.777 45 HD22 LEU 4 1HD2 LEU 4 -13.732 7.458 -4.565 46 HD23 LEU 4 2HD2 LEU 4 -15.227 7.884 -3.732 47 H ARG 5 H ARG 5 -11.189 6.604 -1.031 48 HA ARG 5 HA ARG 5 -11.570 7.320 1.655 49 HE ARG 5 HE ARG 5 -13.568 3.535 3.521 50 HB2 ARG 5 1HB ARG 5 -11.065 4.944 0.183 51 HB3 ARG 5 2HB ARG 5 -9.892 5.012 1.493 52 HG2 ARG 5 1HG ARG 5 -11.551 5.005 3.137 53 HG3 ARG 5 2HG ARG 5 -12.815 5.447 1.987 54 HD2 ARG 5 1HD ARG 5 -12.593 3.269 0.902 55 HD3 ARG 5 2HD ARG 5 -11.316 2.829 2.037 56 HH11 ARG 5 1HH1 ARG 5 -12.572 1.073 1.271 57 HH12 ARG 5 2HH1 ARG 5 -13.617 -0.140 1.934 58 HH21 ARG 5 2HH2 ARG 5 -14.969 0.359 3.715 59 HH22 ARG 5 1HH2 ARG 5 -14.948 1.948 4.403 60 H GLU 6 H GLU 6 -8.535 6.466 -0.019 61 HA GLU 6 HA GLU 6 -6.857 7.184 2.134 62 HB2 GLU 6 1HB GLU 6 -6.359 6.807 -0.812 63 HB3 GLU 6 2HB GLU 6 -5.072 7.257 0.298 64 HG2 GLU 6 1HG GLU 6 -4.762 5.115 0.732 65 HG3 GLU 6 2HG GLU 6 -6.360 5.068 1.473 66 H GLU 7 H GLU 7 -8.361 9.019 -0.389 67 HA GLU 7 HA GLU 7 -6.656 11.270 -0.374 68 HB2 GLU 7 1HB GLU 7 -9.360 10.636 -1.379 69 HB3 GLU 7 2HB GLU 7 -9.051 12.336 -1.062 70 HG2 GLU 7 1HG GLU 7 -6.982 12.107 -2.478 71 HG3 GLU 7 2HG GLU 7 -7.582 10.516 -2.944 72 H ALA 8 H ALA 8 -9.765 10.696 1.271 73 HA ALA 8 HA ALA 8 -9.967 13.086 2.647 74 HB1 ALA 8 3HB ALA 8 -11.031 11.307 4.424 75 HB2 ALA 8 1HB ALA 8 -11.876 11.985 3.032 76 HB3 ALA 8 2HB ALA 8 -11.101 10.404 2.910 77 H ALA 9 H ALA 9 -8.402 10.073 3.714 78 HA ALA 9 HA ALA 9 -7.605 10.850 6.244 79 HB1 ALA 9 3HB ALA 9 -6.026 9.088 6.181 80 HB2 ALA 9 1HB ALA 9 -7.390 8.568 5.191 81 HB3 ALA 9 2HB ALA 9 -5.915 9.154 4.422 82 H LYS 10 H LYS 10 -6.294 11.750 3.144 83 HA LYS 10 HA LYS 10 -3.825 12.790 4.142 84 HB2 LYS 10 1HB LYS 10 -4.667 12.105 1.679 85 HB3 LYS 10 2HB LYS 10 -4.939 13.840 1.602 86 HG2 LYS 10 1HG LYS 10 -2.801 14.105 1.105 87 HG3 LYS 10 2HG LYS 10 -2.385 13.507 2.713 88 HD2 LYS 10 1HD LYS 10 -2.555 11.175 1.741 89 HD3 LYS 10 2HD LYS 10 -2.632 11.940 0.152 90 HE2 LYS 10 1HE LYS 10 -0.462 13.093 1.569 91 HE3 LYS 10 2HE LYS 10 -0.345 11.342 1.740 92 HZ1 LYS 10 3HZ LYS 10 0.713 12.518 -0.295 93 HZ2 LYS 10 1HZ LYS 10 -0.862 12.501 -0.911 94 HZ3 LYS 10 2HZ LYS 10 -0.096 11.048 -0.507 95 H LEU 11 H LEU 11 -6.964 14.183 3.291 96 HA LEU 11 HA LEU 11 -6.353 16.879 3.531 97 HG LEU 11 HG LEU 11 -7.989 17.428 2.003 98 HB2 LEU 11 1HB LEU 11 -8.823 15.259 3.887 99 HB3 LEU 11 2HB LEU 11 -8.843 16.942 4.411 100 HD11 LEU 11 1HD1 LEU 11 -8.591 14.576 1.905 101 HD12 LEU 11 2HD1 LEU 11 -7.651 15.578 0.799 102 HD13 LEU 11 3HD1 LEU 11 -9.407 15.513 0.655 103 HD21 LEU 11 3HD2 LEU 11 -10.804 16.522 1.942 104 HD22 LEU 11 1HD2 LEU 11 -10.099 18.079 1.503 105 HD23 LEU 11 2HD2 LEU 11 -10.364 17.679 3.200 106 H PHE 12 H PHE 12 -6.948 14.478 6.008 107 HA PHE 12 HA PHE 12 -7.378 16.162 8.197 108 HD1 PHE 12 HD1 PHE 12 -8.912 13.948 6.869 109 HD2 PHE 12 HD2 PHE 12 -7.791 13.600 10.961 110 HE1 PHE 12 HE1 PHE 12 -11.242 13.418 7.459 111 HE2 PHE 12 HE2 PHE 12 -10.118 13.069 11.557 112 HZ PHE 12 HZ PHE 12 -11.847 12.976 9.805 113 HB2 PHE 12 1HB PHE 12 -6.417 13.362 7.846 114 HB3 PHE 12 2HB PHE 12 -6.187 14.119 9.419 115 H GLU 13 H GLU 13 -4.356 14.842 6.882 116 HA GLU 13 HA GLU 13 -2.714 16.150 8.826 117 HB2 GLU 13 1HB GLU 13 -2.347 14.295 6.625 118 HB3 GLU 13 2HB GLU 13 -1.100 15.534 6.635 119 HG2 GLU 13 1HG GLU 13 -0.578 14.988 8.959 120 HG3 GLU 13 2HG GLU 13 -1.819 13.738 8.940 121 H GLU 14 H GLU 14 -3.907 16.915 5.635 122 HA GLU 14 HA GLU 14 -2.160 18.925 4.866 123 HB2 GLU 14 1HB GLU 14 -5.127 18.632 4.393 124 HB3 GLU 14 2HB GLU 14 -4.149 19.871 3.621 125 HG2 GLU 14 1HG GLU 14 -3.404 16.986 3.398 126 HG3 GLU 14 2HG GLU 14 -4.641 17.684 2.354 127 H TRP 15 H TRP 15 -4.597 18.934 7.325 128 HA TRP 15 HA TRP 15 -5.089 21.670 7.579 129 HD1 TRP 15 HD1 TRP 15 -7.039 20.800 6.811 130 HE1 TRP 15 HE1 TRP 15 -9.127 19.311 6.595 131 HE3 TRP 15 HE3 TRP 15 -6.607 18.157 11.165 132 HZ2 TRP 15 HZ2 TRP 15 -10.420 17.285 8.075 133 HZ3 TRP 15 HZ3 TRP 15 -8.311 16.462 11.691 134 HH2 TRP 15 HH2 TRP 15 -10.178 16.037 10.176 135 HB2 TRP 15 1HB TRP 15 -4.979 19.603 9.787 136 HB3 TRP 15 2HB TRP 15 -5.783 21.168 9.872 137 H LYS 16 H LYS 16 -2.511 19.664 8.928 138 HA LYS 16 HA LYS 16 -1.343 21.442 10.685 139 HB2 LYS 16 1HB LYS 16 0.599 20.123 10.574 140 HB3 LYS 16 2HB LYS 16 -0.707 19.013 10.183 141 HG2 LYS 16 1HG LYS 16 -0.107 19.731 7.716 142 HG3 LYS 16 2HG LYS 16 1.454 20.090 8.458 143 HD2 LYS 16 1HD LYS 16 0.037 17.451 8.777 144 HD3 LYS 16 2HD LYS 16 1.212 17.772 7.500 145 HE2 LYS 16 1HE LYS 16 2.942 17.552 8.898 146 HE3 LYS 16 2HE LYS 16 2.171 18.539 10.139 147 HZ1 LYS 16 3HZ LYS 16 0.885 16.610 10.822 148 HZ2 LYS 16 1HZ LYS 16 2.543 16.282 10.909 149 HZ3 LYS 16 2HZ LYS 16 1.624 15.664 9.631 150 H LYS 17 H LYS 17 -1.245 21.408 7.198 151 HA LYS 17 HA LYS 17 0.947 23.083 6.753 152 HB2 LYS 17 1HB LYS 17 -0.869 21.799 5.163 153 HB3 LYS 17 2HB LYS 17 -1.335 23.480 4.938 154 HG2 LYS 17 1HG LYS 17 0.779 24.061 4.080 155 HG3 LYS 17 2HG LYS 17 1.501 22.545 4.626 156 HD2 LYS 17 1HD LYS 17 0.528 21.317 2.927 157 HD3 LYS 17 2HD LYS 17 -0.776 22.484 2.691 158 HE2 LYS 17 1HE LYS 17 0.535 23.889 1.420 159 HE3 LYS 17 2HE LYS 17 2.038 23.305 2.132 160 HZ1 LYS 17 3HZ LYS 17 2.093 22.356 0.060 161 HZ2 LYS 17 1HZ LYS 17 0.419 22.120 -0.016 162 HZ3 LYS 17 2HZ LYS 17 1.371 21.111 0.951 163 H LEU 18 H LEU 18 -2.500 23.923 7.059 164 HA LEU 18 HA LEU 18 -2.089 26.720 6.886 165 HG LEU 18 HG LEU 18 -5.643 26.150 6.071 166 HB2 LEU 18 1HB LEU 18 -4.332 24.943 7.705 167 HB3 LEU 18 2HB LEU 18 -4.416 26.652 8.129 168 HD11 LEU 18 1HD1 LEU 18 -4.238 28.307 6.527 169 HD12 LEU 18 2HD1 LEU 18 -4.976 28.037 4.948 170 HD13 LEU 18 3HD1 LEU 18 -3.260 27.708 5.187 171 HD21 LEU 18 3HD2 LEU 18 -4.758 25.125 4.237 172 HD22 LEU 18 1HD2 LEU 18 -3.819 24.322 5.494 173 HD23 LEU 18 2HD2 LEU 18 -3.115 25.662 4.588 174 H ALA 19 H ALA 19 -2.162 24.445 9.557 175 HA ALA 19 HA ALA 19 -2.358 26.256 11.685 176 HB1 ALA 19 3HB ALA 19 -1.973 24.475 13.039 177 HB2 ALA 19 1HB ALA 19 -2.326 23.597 11.550 178 HB3 ALA 19 2HB ALA 19 -0.653 23.860 12.044 179 H GLU 20 H GLU 20 0.485 24.999 9.975 180 HA GLU 20 HA GLU 20 2.386 26.344 11.601 181 HB2 GLU 20 1HB GLU 20 2.623 24.345 9.868 182 HB3 GLU 20 2HB GLU 20 3.017 25.659 8.770 183 HG2 GLU 20 1HG GLU 20 5.103 25.447 9.491 184 HG3 GLU 20 2HG GLU 20 4.552 26.221 10.976 185 H GLU 21 H GLU 21 0.543 27.235 8.782 186 HA GLU 21 HA GLU 21 2.112 29.527 8.105 187 HB2 GLU 21 1HB GLU 21 -0.258 28.190 7.096 188 HB3 GLU 21 2HB GLU 21 -0.452 29.938 7.088 189 HG2 GLU 21 1HG GLU 21 2.060 28.784 5.998 190 HG3 GLU 21 2HG GLU 21 0.583 28.661 5.043 191 H ALA 22 H ALA 22 -0.605 28.899 10.204 192 HA ALA 22 HA ALA 22 -1.382 31.609 10.584 193 HB1 ALA 22 3HB ALA 22 -2.969 29.892 11.060 194 HB2 ALA 22 1HB ALA 22 -1.882 29.132 12.223 195 HB3 ALA 22 2HB ALA 22 -2.592 30.708 12.577 196 H ALA 23 H ALA 23 0.944 29.488 12.124 197 HA ALA 23 HA ALA 23 1.426 31.125 14.400 198 HB1 ALA 23 3HB ALA 23 3.677 29.475 13.578 199 HB2 ALA 23 1HB ALA 23 2.725 29.437 15.062 200 HB3 ALA 23 2HB ALA 23 2.154 28.586 13.625 201 H LYS 24 H LYS 24 2.655 31.064 11.137 202 HA LYS 24 HA LYS 24 4.982 32.618 11.564 203 HB2 LYS 24 1HB LYS 24 3.303 32.013 9.143 204 HB3 LYS 24 2HB LYS 24 4.666 33.120 9.051 205 HG2 LYS 24 1HG LYS 24 6.196 31.399 9.683 206 HG3 LYS 24 2HG LYS 24 4.873 30.284 10.035 207 HD2 LYS 24 1HD LYS 24 4.557 29.773 7.857 208 HD3 LYS 24 2HD LYS 24 4.890 31.419 7.315 209 HE2 LYS 24 1HE LYS 24 6.738 30.383 6.480 210 HE3 LYS 24 2HE LYS 24 7.343 30.773 8.089 211 HZ1 LYS 24 3HZ LYS 24 6.081 28.177 7.408 212 HZ2 LYS 24 1HZ LYS 24 6.931 28.572 8.817 213 HZ3 LYS 24 2HZ LYS 24 7.750 28.444 7.344 214 H LEU 25 H LEU 25 1.618 33.416 11.068 215 HA LEU 25 HA LEU 25 2.035 36.181 10.496 216 HG LEU 25 HG LEU 25 0.074 37.263 9.725 217 HB2 LEU 25 1HB LEU 25 -0.137 34.389 10.550 218 HB3 LEU 25 2HB LEU 25 -0.528 35.686 11.678 219 HD11 LEU 25 1HD1 LEU 25 -0.809 35.139 7.891 220 HD12 LEU 25 2HD1 LEU 25 0.846 34.996 8.483 221 HD13 LEU 25 3HD1 LEU 25 0.336 36.459 7.641 222 HD21 LEU 25 3HD2 LEU 25 -2.397 35.581 9.390 223 HD22 LEU 25 1HD2 LEU 25 -2.179 37.290 9.010 224 HD23 LEU 25 2HD2 LEU 25 -2.204 36.757 10.691 225 H LEU 26 H LEU 26 1.576 34.293 13.408 226 HA LEU 26 HA LEU 26 1.183 36.575 15.110 227 HG LEU 26 HG LEU 26 0.267 36.157 17.024 228 HB2 LEU 26 1HB LEU 26 0.677 33.901 15.343 229 HB3 LEU 26 2HB LEU 26 2.105 34.090 16.358 230 HD11 LEU 26 1HD1 LEU 26 -1.081 33.600 17.607 231 HD12 LEU 26 2HD1 LEU 26 -1.216 34.194 15.952 232 HD13 LEU 26 3HD1 LEU 26 -1.756 35.199 17.297 233 HD21 LEU 26 3HD2 LEU 26 2.069 34.623 18.296 234 HD22 LEU 26 1HD2 LEU 26 0.581 33.817 18.793 235 HD23 LEU 26 2HD2 LEU 26 0.806 35.534 19.127 236 H GLU 27 H GLU 27 3.876 34.509 14.185 237 HA GLU 27 HA GLU 27 5.692 35.752 16.056 238 HB2 GLU 27 1HB GLU 27 7.336 34.252 15.239 239 HB3 GLU 27 2HB GLU 27 5.833 33.343 15.294 240 HG2 GLU 27 1HG GLU 27 6.359 32.724 13.221 241 HG3 GLU 27 2HG GLU 27 5.782 34.324 12.758 242 H GLY 28 H GLY 28 4.702 36.195 12.765 243 HA2 GLY 28 1HA GLY 28 5.343 38.661 12.205 244 HA3 GLY 28 2HA GLY 28 6.966 37.987 12.236 245 H GLY 29 H GLY 29 7.504 36.326 10.681 246 HA2 GLY 29 1HA GLY 29 5.729 35.682 8.542 247 HA3 GLY 29 2HA GLY 29 6.851 36.950 8.075 248 H GLY 30 H GLY 30 9.209 36.302 9.055 249 HA2 GLY 30 1HA GLY 30 9.704 33.490 8.340 250 HA3 GLY 30 2HA GLY 30 10.599 34.763 7.525 251 H GLY 31 H GLY 31 10.085 33.106 10.574 252 HA2 GLY 31 1HA GLY 31 11.372 32.962 12.471 253 HA3 GLY 31 2HA GLY 31 12.732 33.134 11.371 254 H GLY 32 H GLY 32 10.251 35.107 13.002 255 HA2 GLY 32 1HA GLY 32 11.991 37.431 12.923 256 HA3 GLY 32 2HA GLY 32 10.360 37.367 13.575 257 H GLY 33 H GLY 33 10.127 36.107 15.648 258 HA2 GLY 33 1HA GLY 33 12.129 35.368 17.356 259 HA3 GLY 33 2HA GLY 33 12.050 37.115 17.527 260 H GLY 34 H GLY 34 10.770 34.155 18.531 261 HA2 GLY 34 1HA GLY 34 9.466 34.076 20.550 262 HA3 GLY 34 2HA GLY 34 8.702 35.583 20.066 263 H GLY 35 H GLY 35 6.634 35.290 19.596 264 HA2 GLY 35 1HA GLY 35 4.824 34.500 18.362 265 HA3 GLY 35 2HA GLY 35 5.864 33.256 17.683 266 H GLU 36 H GLU 36 3.518 34.010 20.053 267 HA GLU 36 HA GLU 36 3.972 31.716 21.717 268 HB2 GLU 36 1HB GLU 36 2.945 33.618 22.738 269 HB3 GLU 36 2HB GLU 36 1.692 33.681 21.506 270 HG2 GLU 36 1HG GLU 36 0.753 31.598 22.319 271 HG3 GLU 36 2HG GLU 36 2.037 31.470 23.520 272 H LEU 37 H LEU 37 2.038 32.461 18.910 273 HA LEU 37 HA LEU 37 0.188 30.371 19.020 274 HG LEU 37 HG LEU 37 -0.725 29.844 16.383 275 HB2 LEU 37 1HB LEU 37 0.511 32.412 17.373 276 HB3 LEU 37 2HB LEU 37 1.326 31.192 16.396 277 HD11 LEU 37 1HD1 LEU 37 -1.510 31.768 18.410 278 HD12 LEU 37 2HD1 LEU 37 -2.168 30.174 18.046 279 HD13 LEU 37 3HD1 LEU 37 -2.724 31.584 17.144 280 HD21 LEU 37 3HD2 LEU 37 -1.415 30.930 14.561 281 HD22 LEU 37 1HD2 LEU 37 -0.200 32.146 14.956 282 HD23 LEU 37 2HD2 LEU 37 -1.869 32.361 15.486 283 H MET 38 H MET 38 3.551 30.406 18.110 284 HA MET 38 HA MET 38 3.783 28.104 16.608 285 HB2 MET 38 1HB MET 38 5.534 29.857 17.941 286 HB3 MET 38 2HB MET 38 5.946 28.245 18.509 287 HG2 MET 38 1HG MET 38 5.994 27.575 16.052 288 HG3 MET 38 2HG MET 38 5.981 29.303 15.706 289 HE1 MET 38 3HE MET 38 9.467 30.352 15.903 290 HE2 MET 38 1HE MET 38 8.478 29.687 14.602 291 HE3 MET 38 2HE MET 38 7.764 30.796 15.774 292 H LYS 39 H LYS 39 3.251 28.451 20.040 293 HA LYS 39 HA LYS 39 3.815 25.709 20.675 294 HB2 LYS 39 1HB LYS 39 2.366 27.847 22.250 295 HB3 LYS 39 2HB LYS 39 2.835 26.274 22.881 296 HG2 LYS 39 1HG LYS 39 4.885 28.112 21.714 297 HG3 LYS 39 2HG LYS 39 4.320 28.322 23.374 298 HD2 LYS 39 1HD LYS 39 5.334 25.686 22.338 299 HD3 LYS 39 2HD LYS 39 6.407 26.902 23.037 300 HE2 LYS 39 1HE LYS 39 4.023 26.295 24.638 301 HE3 LYS 39 2HE LYS 39 5.142 24.946 24.445 302 HZ1 LYS 39 3HZ LYS 39 6.126 27.609 25.242 303 HZ2 LYS 39 1HZ LYS 39 6.836 26.094 25.494 304 HZ3 LYS 39 2HZ LYS 39 5.480 26.553 26.395 305 H LEU 40 H LEU 40 0.811 27.631 20.585 306 HA LEU 40 HA LEU 40 -0.955 25.507 20.997 307 HG LEU 40 HG LEU 40 -3.090 28.445 21.424 308 HB2 LEU 40 1HB LEU 40 -1.133 28.264 19.980 309 HB3 LEU 40 2HB LEU 40 -2.424 27.184 19.459 310 HD11 LEU 40 1HD1 LEU 40 -3.677 25.958 21.039 311 HD12 LEU 40 2HD1 LEU 40 -4.024 26.686 22.607 312 HD13 LEU 40 3HD1 LEU 40 -2.603 25.661 22.406 313 HD21 LEU 40 3HD2 LEU 40 -1.957 28.367 23.490 314 HD22 LEU 40 1HD2 LEU 40 -0.714 28.679 22.277 315 HD23 LEU 40 2HD2 LEU 40 -0.901 27.060 22.952 316 H CYS 41 H CYS 41 0.761 26.517 18.160 317 HA CYS 41 HA CYS 41 -0.871 25.213 16.236 318 HG CYS 41 HG CYS 41 2.558 24.792 14.009 319 HB2 CYS 41 1HB CYS 41 0.631 26.956 15.520 320 HB3 CYS 41 2HB CYS 41 2.020 26.087 16.157 321 H GLU 42 H GLU 42 1.990 24.245 18.070 322 HA GLU 42 HA GLU 42 2.582 21.852 16.806 323 HB2 GLU 42 1HB GLU 42 4.076 22.707 18.465 324 HB3 GLU 42 2HB GLU 42 2.829 22.653 19.704 325 HG2 GLU 42 1HG GLU 42 3.360 20.578 20.244 326 HG3 GLU 42 2HG GLU 42 3.214 20.046 18.570 327 H GLU 43 H GLU 43 0.205 22.518 19.338 328 HA GLU 43 HA GLU 43 -0.566 19.855 19.817 329 HB2 GLU 43 1HB GLU 43 -1.667 22.537 20.396 330 HB3 GLU 43 2HB GLU 43 -2.833 21.222 20.380 331 HG2 GLU 43 1HG GLU 43 -1.772 20.104 22.138 332 HG3 GLU 43 2HG GLU 43 -0.296 21.051 21.964 333 H ALA 44 H ALA 44 -1.779 22.289 17.554 334 HA ALA 44 HA ALA 44 -3.908 20.681 16.557 335 HB1 ALA 44 3HB ALA 44 -4.503 22.664 15.761 336 HB2 ALA 44 1HB ALA 44 -2.919 23.333 16.156 337 HB3 ALA 44 2HB ALA 44 -3.185 22.563 14.591 338 H ALA 45 H ALA 45 -0.557 21.191 15.626 339 HA ALA 45 HA ALA 45 -0.771 19.753 13.152 340 HB1 ALA 45 3HB ALA 45 1.494 20.893 14.737 341 HB2 ALA 45 1HB ALA 45 1.811 19.796 13.394 342 HB3 ALA 45 2HB ALA 45 0.943 21.306 13.113 343 H LYS 46 H LYS 46 -0.178 18.932 16.462 344 HA LYS 46 HA LYS 46 1.090 16.419 15.978 345 HB2 LYS 46 1HB LYS 46 1.239 17.757 18.112 346 HB3 LYS 46 2HB LYS 46 -0.414 17.265 18.458 347 HG2 LYS 46 1HG LYS 46 0.199 15.002 18.683 348 HG3 LYS 46 2HG LYS 46 1.787 15.282 17.963 349 HD2 LYS 46 1HD LYS 46 2.655 16.142 19.885 350 HD3 LYS 46 2HD LYS 46 1.113 16.828 20.403 351 HE2 LYS 46 1HE LYS 46 0.343 14.473 20.847 352 HE3 LYS 46 2HE LYS 46 2.005 13.956 20.568 353 HZ1 LYS 46 3HZ LYS 46 2.739 15.269 22.405 354 HZ2 LYS 46 1HZ LYS 46 1.451 14.309 22.936 355 HZ3 LYS 46 2HZ LYS 46 1.205 15.951 22.614 356 H LYS 47 H LYS 47 -2.229 17.433 16.685 357 HA LYS 47 HA LYS 47 -3.344 14.849 16.843 358 HB2 LYS 47 1HB LYS 47 -4.301 17.590 16.778 359 HB3 LYS 47 2HB LYS 47 -5.357 16.518 15.868 360 HG2 LYS 47 1HG LYS 47 -6.315 16.009 17.802 361 HG3 LYS 47 2HG LYS 47 -4.841 15.126 18.205 362 HD2 LYS 47 1HD LYS 47 -4.940 16.513 20.012 363 HD3 LYS 47 2HD LYS 47 -4.032 17.552 18.912 364 HE2 LYS 47 1HE LYS 47 -6.275 18.501 18.196 365 HE3 LYS 47 2HE LYS 47 -6.962 17.658 19.584 366 HZ1 LYS 47 3HZ LYS 47 -4.875 19.768 19.646 367 HZ2 LYS 47 1HZ LYS 47 -5.377 18.886 20.999 368 HZ3 LYS 47 2HZ LYS 47 -6.467 19.901 20.199 369 H ALA 48 H ALA 48 -2.438 16.844 14.161 370 HA ALA 48 HA ALA 48 -4.043 15.559 12.187 371 HB1 ALA 48 3HB ALA 48 -3.378 17.602 11.429 372 HB2 ALA 48 1HB ALA 48 -1.782 17.484 12.172 373 HB3 ALA 48 2HB ALA 48 -2.131 16.602 10.684 374 H GLU 49 H GLU 49 -0.650 15.216 13.190 375 HA GLU 49 HA GLU 49 -0.115 13.109 11.329 376 HB2 GLU 49 1HB GLU 49 1.612 14.676 12.265 377 HB3 GLU 49 2HB GLU 49 1.458 13.839 13.802 378 HG2 GLU 49 1HG GLU 49 2.944 12.349 13.141 379 HG3 GLU 49 2HG GLU 49 1.889 11.880 11.810 380 H GLU 50 H GLU 50 -1.135 13.301 14.675 381 HA GLU 50 HA GLU 50 -0.686 10.564 15.309 382 HB2 GLU 50 1HB GLU 50 -1.074 12.614 16.877 383 HB3 GLU 50 2HB GLU 50 -2.776 12.234 16.664 384 HG2 GLU 50 1HG GLU 50 -2.402 9.995 17.534 385 HG3 GLU 50 2HG GLU 50 -0.685 10.347 17.721 386 H LEU 51 H LEU 51 -3.312 12.332 13.840 387 HA LEU 51 HA LEU 51 -5.330 10.377 14.145 388 HG LEU 51 HG LEU 51 -6.596 12.267 14.654 389 HB2 LEU 51 1HB LEU 51 -4.944 12.856 12.653 390 HB3 LEU 51 2HB LEU 51 -5.956 11.683 11.812 391 HD11 LEU 51 1HD1 LEU 51 -6.662 14.259 12.474 392 HD12 LEU 51 2HD1 LEU 51 -6.535 14.484 14.219 393 HD13 LEU 51 3HD1 LEU 51 -8.102 14.142 13.485 394 HD21 LEU 51 3HD2 LEU 51 -8.857 12.336 13.037 395 HD22 LEU 51 1HD2 LEU 51 -8.298 10.985 14.022 396 HD23 LEU 51 2HD2 LEU 51 -7.834 11.088 12.324 397 H PHE 52 H PHE 52 -2.696 10.743 11.905 398 HA PHE 52 HA PHE 52 -3.577 9.147 9.796 399 HD1 PHE 52 HD1 PHE 52 -0.602 7.564 8.392 400 HD2 PHE 52 HD2 PHE 52 -2.202 11.508 8.393 401 HE1 PHE 52 HE1 PHE 52 -0.481 7.610 5.935 402 HE2 PHE 52 HE2 PHE 52 -2.084 11.560 5.937 403 HZ PHE 52 HZ PHE 52 -1.224 9.610 4.704 404 HB2 PHE 52 1HB PHE 52 -1.245 10.490 10.421 405 HB3 PHE 52 2HB PHE 52 -0.739 8.805 10.413 406 H LYS 53 H LYS 53 -2.252 8.284 12.918 407 HA LYS 53 HA LYS 53 -1.665 5.585 12.410 408 HB2 LYS 53 1HB LYS 53 -1.424 7.267 14.566 409 HB3 LYS 53 2HB LYS 53 -2.687 6.165 15.102 410 HG2 LYS 53 1HG LYS 53 -0.609 4.631 13.915 411 HG3 LYS 53 2HG LYS 53 0.110 5.759 15.068 412 HD2 LYS 53 1HD LYS 53 -1.487 4.983 16.779 413 HD3 LYS 53 2HD LYS 53 -2.135 3.817 15.622 414 HE2 LYS 53 1HE LYS 53 0.582 3.349 15.553 415 HE3 LYS 53 2HE LYS 53 0.276 3.698 17.253 416 HZ1 LYS 53 3HZ LYS 53 -1.753 2.034 16.603 417 HZ2 LYS 53 1HZ LYS 53 -0.317 1.565 17.365 418 HZ3 LYS 53 2HZ LYS 53 -0.476 1.404 15.689 419 H LEU 54 H LEU 54 -4.638 7.174 13.484 420 HA LEU 54 HA LEU 54 -6.086 4.720 13.783 421 HG LEU 54 HG LEU 54 -8.282 6.770 15.825 422 HB2 LEU 54 1HB LEU 54 -6.511 7.505 14.309 423 HB3 LEU 54 2HB LEU 54 -7.893 6.848 13.435 424 HD11 LEU 54 1HD1 LEU 54 -9.028 4.553 15.980 425 HD12 LEU 54 2HD1 LEU 54 -7.737 3.954 14.940 426 HD13 LEU 54 3HD1 LEU 54 -9.044 4.918 14.255 427 HD21 LEU 54 3HD2 LEU 54 -5.721 6.521 16.255 428 HD22 LEU 54 1HD2 LEU 54 -6.072 4.794 16.181 429 HD23 LEU 54 2HD2 LEU 54 -6.880 5.807 17.378 430 H ALA 55 H ALA 55 -5.682 7.120 11.255 431 HA ALA 55 HA ALA 55 -7.784 6.308 9.573 432 HB1 ALA 55 3HB ALA 55 -6.962 7.803 8.072 433 HB2 ALA 55 1HB ALA 55 -6.104 8.367 9.506 434 HB3 ALA 55 2HB ALA 55 -5.287 7.324 8.341 435 H GLU 56 H GLU 56 -4.664 4.943 10.205 436 HA GLU 56 HA GLU 56 -4.521 3.371 7.813 437 HB2 GLU 56 1HB GLU 56 -2.651 4.136 9.554 438 HB3 GLU 56 2HB GLU 56 -3.027 2.570 10.258 439 HG2 GLU 56 1HG GLU 56 -2.217 1.407 8.459 440 HG3 GLU 56 2HG GLU 56 -2.491 2.738 7.338 441 H GLU 57 H GLU 57 -5.515 2.798 11.157 442 HA GLU 57 HA GLU 57 -6.065 0.013 10.713 443 HB2 GLU 57 1HB GLU 57 -6.315 1.917 12.980 444 HB3 GLU 57 2HB GLU 57 -7.360 0.504 13.006 445 HG2 GLU 57 1HG GLU 57 -5.562 -0.975 13.108 446 HG3 GLU 57 2HG GLU 57 -4.410 0.246 12.573 447 H ARG 58 H ARG 58 -7.769 2.967 10.300 448 HA ARG 58 HA ARG 58 -10.355 1.600 10.176 449 HE ARG 58 HE ARG 58 -10.751 1.778 13.529 450 HB2 ARG 58 1HB ARG 58 -9.605 4.525 10.157 451 HB3 ARG 58 2HB ARG 58 -11.245 3.948 9.897 452 HG2 ARG 58 1HG ARG 58 -9.720 3.157 12.345 453 HG3 ARG 58 2HG ARG 58 -10.548 4.713 12.252 454 HD2 ARG 58 1HD ARG 58 -12.519 3.757 12.634 455 HD3 ARG 58 2HD ARG 58 -12.265 2.596 11.331 456 HH11 ARG 58 1HH1 ARG 58 -14.089 2.155 12.619 457 HH12 ARG 58 2HH1 ARG 58 -14.651 0.888 13.659 458 HH21 ARG 58 2HH2 ARG 58 -13.165 -0.276 14.957 459 HH22 ARG 58 1HH2 ARG 58 -11.478 0.107 14.902 460 H LEU 59 H LEU 59 -8.927 4.227 8.242 461 HA LEU 59 HA LEU 59 -10.178 3.132 5.858 462 HG LEU 59 HG LEU 59 -10.779 5.890 7.336 463 HB2 LEU 59 1HB LEU 59 -8.607 5.660 6.323 464 HB3 LEU 59 2HB LEU 59 -9.330 5.205 4.782 465 HD11 LEU 59 1HD1 LEU 59 -11.159 7.923 6.469 466 HD12 LEU 59 2HD1 LEU 59 -11.351 7.304 4.830 467 HD13 LEU 59 3HD1 LEU 59 -9.737 7.576 5.486 468 HD21 LEU 59 3HD2 LEU 59 -12.607 5.734 5.251 469 HD22 LEU 59 1HD2 LEU 59 -12.436 4.605 6.595 470 HD23 LEU 59 2HD2 LEU 59 -11.604 4.295 5.070 471 H LYS 60 H LYS 60 -8.291 1.395 6.721 472 HA LYS 60 HA LYS 60 -6.689 0.983 4.487 473 HB2 LYS 60 1HB LYS 60 -5.594 2.949 6.184 474 HB3 LYS 60 2HB LYS 60 -4.642 1.494 6.448 475 HG2 LYS 60 1HG LYS 60 -3.921 1.412 4.242 476 HG3 LYS 60 2HG LYS 60 -5.227 2.456 3.676 477 HD2 LYS 60 1HD LYS 60 -4.224 4.354 4.841 478 HD3 LYS 60 2HD LYS 60 -2.928 3.313 5.436 479 HE2 LYS 60 1HE LYS 60 -3.468 3.561 2.500 480 HE3 LYS 60 2HE LYS 60 -2.511 4.778 3.344 481 HZ1 LYS 60 3HZ LYS 60 -1.852 2.019 2.696 482 HZ2 LYS 60 1HZ LYS 60 -1.322 2.577 4.203 483 HZ3 LYS 60 2HZ LYS 60 -0.850 3.378 2.791 484 H LYS 61 H LYS 61 -8.357 -0.440 6.339 485 HA LYS 61 HA LYS 61 -6.991 -2.028 8.170 486 HB2 LYS 61 1HB LYS 61 -8.841 -3.614 7.941 487 HB3 LYS 61 2HB LYS 61 -9.435 -1.960 8.017 488 HG2 LYS 61 1HG LYS 61 -9.584 -1.991 5.520 489 HG3 LYS 61 2HG LYS 61 -9.209 -3.715 5.584 490 HD2 LYS 61 1HD LYS 61 -11.273 -3.281 7.446 491 HD3 LYS 61 2HD LYS 61 -11.720 -2.388 5.990 492 HE2 LYS 61 1HE LYS 61 -10.712 -5.188 5.749 493 HE3 LYS 61 2HE LYS 61 -12.375 -4.908 6.262 494 HZ1 LYS 61 3HZ LYS 61 -11.741 -3.310 4.007 495 HZ2 LYS 61 1HZ LYS 61 -12.959 -4.471 4.184 496 HZ3 LYS 61 2HZ LYS 61 -11.414 -4.937 3.678 497 H LEU 62 H LEU 62 -7.263 -2.303 4.686 498 HA LEU 62 HA LEU 62 -4.991 -4.031 4.563 499 HG LEU 62 HG LEU 62 -5.204 -5.913 2.701 500 HB2 LEU 62 1HB LEU 62 -6.788 -5.629 5.148 501 HB3 LEU 62 2HB LEU 62 -7.645 -5.158 3.682 502 HD11 LEU 62 1HD1 LEU 62 -4.813 -6.738 5.135 503 HD12 LEU 62 2HD1 LEU 62 -4.375 -7.775 3.779 504 HD13 LEU 62 3HD1 LEU 62 -5.874 -8.065 4.661 505 HD21 LEU 62 3HD2 LEU 62 -7.275 -6.525 1.690 506 HD22 LEU 62 1HD2 LEU 62 -7.736 -7.498 3.087 507 HD23 LEU 62 2HD2 LEU 62 -6.401 -8.013 2.055 508 HA MET 1 HA MET 1 -6.337 48.638 9.718 509 H1 MET 1 1H MET 1 -4.928 48.439 7.922 510 HB2 MET 1 1HB MET 1 -8.763 47.894 9.413 511 HB3 MET 1 2HB MET 1 -8.217 49.253 8.440 512 HG2 MET 1 1HG MET 1 -8.582 48.175 6.530 513 HG3 MET 1 2HG MET 1 -7.835 46.693 7.120 514 HE1 MET 1 3HE MET 1 -9.839 46.735 5.157 515 HE2 MET 1 1HE MET 1 -11.200 45.708 5.608 516 HE3 MET 1 2HE MET 1 -11.384 47.461 5.598 517 H LYS 2 H LYS 2 -4.732 46.916 10.317 518 HA LYS 2 HA LYS 2 -6.138 44.703 11.477 519 HB2 LYS 2 1HB LYS 2 -4.904 42.914 10.419 520 HB3 LYS 2 2HB LYS 2 -5.714 43.865 9.180 521 HG2 LYS 2 1HG LYS 2 -3.313 45.105 9.276 522 HG3 LYS 2 2HG LYS 2 -2.851 43.450 9.678 523 HD2 LYS 2 1HD LYS 2 -4.159 42.712 7.657 524 HD3 LYS 2 2HD LYS 2 -4.306 44.416 7.223 525 HE2 LYS 2 1HE LYS 2 -1.573 43.667 7.853 526 HE3 LYS 2 2HE LYS 2 -2.239 42.709 6.531 527 HZ1 LYS 2 3HZ LYS 2 -1.700 45.582 6.657 528 HZ2 LYS 2 1HZ LYS 2 -3.022 45.071 5.734 529 HZ3 LYS 2 2HZ LYS 2 -1.472 44.495 5.381 530 H LYS 3 H LYS 3 -5.001 43.730 13.155 531 HA LYS 3 HA LYS 3 -2.460 45.052 13.847 532 HB2 LYS 3 1HB LYS 3 -3.120 44.318 16.227 533 HB3 LYS 3 2HB LYS 3 -3.979 45.675 15.513 534 HG2 LYS 3 1HG LYS 3 -5.819 44.158 14.901 535 HG3 LYS 3 2HG LYS 3 -4.963 42.835 15.695 536 HD2 LYS 3 1HD LYS 3 -6.652 43.744 17.179 537 HD3 LYS 3 2HD LYS 3 -5.042 44.084 17.816 538 HE2 LYS 3 1HE LYS 3 -5.151 46.351 17.037 539 HE3 LYS 3 2HE LYS 3 -6.662 46.035 16.187 540 HZ1 LYS 3 3HZ LYS 3 -7.831 46.349 18.038 541 HZ2 LYS 3 1HZ LYS 3 -6.430 47.016 18.712 542 HZ3 LYS 3 2HZ LYS 3 -6.801 45.388 18.974 543 H LEU 4 H LEU 4 -3.029 42.533 12.270 544 HA LEU 4 HA LEU 4 -1.934 40.560 11.946 545 HG LEU 4 HG LEU 4 -0.311 42.799 12.316 546 HB2 LEU 4 1HB LEU 4 -0.441 40.986 14.512 547 HB3 LEU 4 2HB LEU 4 0.064 40.093 13.078 548 HD11 LEU 4 1HD1 LEU 4 0.045 43.841 14.284 549 HD12 LEU 4 2HD1 LEU 4 1.732 43.491 13.912 550 HD13 LEU 4 3HD1 LEU 4 0.836 42.441 15.010 551 HD21 LEU 4 3HD2 LEU 4 1.348 40.795 11.691 552 HD22 LEU 4 1HD2 LEU 4 2.407 41.722 12.756 553 HD23 LEU 4 2HD2 LEU 4 1.702 42.486 11.330 554 H ARG 5 H ARG 5 -2.091 40.809 15.502 555 HA ARG 5 HA ARG 5 -2.782 38.188 16.018 556 HE ARG 5 HE ARG 5 0.319 40.859 19.922 557 HB2 ARG 5 1HB ARG 5 -3.414 40.731 17.504 558 HB3 ARG 5 2HB ARG 5 -3.871 39.151 18.125 559 HG2 ARG 5 1HG ARG 5 -1.866 38.957 19.031 560 HG3 ARG 5 2HG ARG 5 -1.154 38.982 17.416 561 HD2 ARG 5 1HD ARG 5 -1.097 41.441 17.502 562 HD3 ARG 5 2HD ARG 5 -1.762 41.386 19.134 563 HH11 ARG 5 1HH1 ARG 5 0.239 40.328 16.482 564 HH12 ARG 5 2HH1 ARG 5 1.940 40.021 16.359 565 HH21 ARG 5 2HH2 ARG 5 3.259 40.095 18.231 566 HH22 ARG 5 1HH2 ARG 5 2.560 40.458 19.772 567 H GLU 6 H GLU 6 -4.823 40.859 15.027 568 HA GLU 6 HA GLU 6 -7.330 39.795 15.626 569 HB2 GLU 6 1HB GLU 6 -6.887 42.127 14.859 570 HB3 GLU 6 2HB GLU 6 -6.623 41.505 13.236 571 HG2 GLU 6 1HG GLU 6 -8.857 42.436 13.493 572 HG3 GLU 6 2HG GLU 6 -8.911 40.710 13.140 573 H GLU 7 H GLU 7 -5.365 39.457 12.688 574 HA GLU 7 HA GLU 7 -7.261 37.755 11.385 575 HB2 GLU 7 1HB GLU 7 -4.466 38.655 10.813 576 HB3 GLU 7 2HB GLU 7 -5.126 37.291 9.921 577 HG2 GLU 7 1HG GLU 7 -6.934 38.650 9.093 578 HG3 GLU 7 2HG GLU 7 -6.400 40.013 10.074 579 H ALA 8 H ALA 8 -4.492 37.284 13.454 580 HA ALA 8 HA ALA 8 -3.823 34.654 12.955 581 HB1 ALA 8 3HB ALA 8 -3.871 36.144 15.573 582 HB2 ALA 8 1HB ALA 8 -3.120 34.564 15.347 583 HB3 ALA 8 2HB ALA 8 -2.512 35.964 14.464 584 H ALA 9 H ALA 9 -6.256 35.845 15.272 585 HA ALA 9 HA ALA 9 -7.153 33.348 16.152 586 HB1 ALA 9 3HB ALA 9 -9.341 34.712 16.576 587 HB2 ALA 9 1HB ALA 9 -7.873 35.078 17.484 588 HB3 ALA 9 2HB ALA 9 -8.337 36.085 16.113 589 H LYS 10 H LYS 10 -7.915 35.180 13.279 590 HA LYS 10 HA LYS 10 -10.219 33.625 12.568 591 HB2 LYS 10 1HB LYS 10 -10.100 35.873 11.749 592 HB3 LYS 10 2HB LYS 10 -8.518 35.593 11.034 593 HG2 LYS 10 1HG LYS 10 -10.721 33.869 10.085 594 HG3 LYS 10 2HG LYS 10 -10.784 35.572 9.626 595 HD2 LYS 10 1HD LYS 10 -8.132 34.793 9.216 596 HD3 LYS 10 2HD LYS 10 -9.110 33.456 8.606 597 HE2 LYS 10 1HE LYS 10 -9.977 36.187 7.871 598 HE3 LYS 10 2HE LYS 10 -8.480 35.611 7.140 599 HZ1 LYS 10 3HZ LYS 10 -11.217 34.667 6.762 600 HZ2 LYS 10 1HZ LYS 10 -9.988 33.504 6.716 601 HZ3 LYS 10 2HZ LYS 10 -9.957 34.810 5.641 602 H LEU 11 H LEU 11 -6.786 33.493 11.914 603 HA LEU 11 HA LEU 11 -6.708 31.840 9.698 604 HG LEU 11 HG LEU 11 -3.152 32.421 10.114 605 HB2 LEU 11 1HB LEU 11 -4.898 32.735 11.699 606 HB3 LEU 11 2HB LEU 11 -4.670 31.001 11.488 607 HD11 LEU 11 1HD1 LEU 11 -4.530 30.098 9.429 608 HD12 LEU 11 2HD1 LEU 11 -3.035 30.701 8.715 609 HD13 LEU 11 3HD1 LEU 11 -4.587 31.110 7.986 610 HD21 LEU 11 3HD2 LEU 11 -3.887 33.840 8.478 611 HD22 LEU 11 1HD2 LEU 11 -5.171 34.050 9.668 612 HD23 LEU 11 2HD2 LEU 11 -5.423 32.996 8.277 613 H PHE 12 H PHE 12 -7.356 31.052 13.047 614 HA PHE 12 HA PHE 12 -7.032 28.278 12.944 615 HD1 PHE 12 HD1 PHE 12 -5.719 30.220 14.313 616 HD2 PHE 12 HD2 PHE 12 -8.090 27.668 16.761 617 HE1 PHE 12 HE1 PHE 12 -3.808 29.904 15.830 618 HE2 PHE 12 HE2 PHE 12 -6.182 27.349 18.282 619 HZ PHE 12 HZ PHE 12 -4.038 28.468 17.818 620 HB2 PHE 12 1HB PHE 12 -8.586 30.155 14.665 621 HB3 PHE 12 2HB PHE 12 -8.957 28.438 14.770 622 H GLU 13 H GLU 13 -9.578 30.327 11.765 623 HA GLU 13 HA GLU 13 -11.560 28.299 11.494 624 HB2 GLU 13 1HB GLU 13 -11.628 30.998 11.375 625 HB3 GLU 13 2HB GLU 13 -11.642 30.619 9.659 626 HG2 GLU 13 1HG GLU 13 -13.653 29.413 9.833 627 HG3 GLU 13 2HG GLU 13 -13.554 29.353 11.592 628 H GLU 14 H GLU 14 -8.940 29.461 9.500 629 HA GLU 14 HA GLU 14 -9.660 28.541 7.000 630 HB2 GLU 14 1HB GLU 14 -6.926 28.539 8.290 631 HB3 GLU 14 2HB GLU 14 -7.214 28.291 6.574 632 HG2 GLU 14 1HG GLU 14 -8.340 30.730 7.827 633 HG3 GLU 14 2HG GLU 14 -6.597 30.657 7.573 634 H TRP 15 H TRP 15 -8.432 26.739 9.752 635 HA TRP 15 HA TRP 15 -7.799 24.333 8.489 636 HD1 TRP 15 HD1 TRP 15 -5.847 25.324 9.165 637 HE1 TRP 15 HE1 TRP 15 -4.018 26.341 10.663 638 HE3 TRP 15 HE3 TRP 15 -8.094 24.713 13.717 639 HZ2 TRP 15 HZ2 TRP 15 -3.585 26.823 13.411 640 HZ3 TRP 15 HZ3 TRP 15 -6.904 25.479 15.730 641 HH2 TRP 15 HH2 TRP 15 -4.698 26.511 15.578 642 HB2 TRP 15 1HB TRP 15 -8.951 24.687 11.265 643 HB3 TRP 15 2HB TRP 15 -8.042 23.295 10.683 644 H LYS 16 H LYS 16 -10.885 25.518 9.744 645 HA LYS 16 HA LYS 16 -12.387 23.184 9.416 646 HB2 LYS 16 1HB LYS 16 -13.139 26.101 9.356 647 HB3 LYS 16 2HB LYS 16 -14.340 24.827 9.176 648 HG2 LYS 16 1HG LYS 16 -14.271 24.271 11.355 649 HG3 LYS 16 2HG LYS 16 -12.535 24.558 11.486 650 HD2 LYS 16 1HD LYS 16 -13.524 26.219 12.819 651 HD3 LYS 16 2HD LYS 16 -13.104 27.039 11.313 652 HE2 LYS 16 1HE LYS 16 -15.233 27.785 11.476 653 HE3 LYS 16 2HE LYS 16 -15.587 26.241 10.701 654 HZ1 LYS 16 3HZ LYS 16 -15.704 26.810 13.613 655 HZ2 LYS 16 1HZ LYS 16 -15.961 25.291 12.914 656 HZ3 LYS 16 2HZ LYS 16 -17.024 26.564 12.585 657 H LYS 17 H LYS 17 -11.233 25.488 7.102 658 HA LYS 17 HA LYS 17 -13.022 25.083 5.000 659 HB2 LYS 17 1HB LYS 17 -11.039 26.747 5.243 660 HB3 LYS 17 2HB LYS 17 -10.081 25.458 4.525 661 HG2 LYS 17 1HG LYS 17 -12.514 25.949 3.035 662 HG3 LYS 17 2HG LYS 17 -11.518 27.400 3.181 663 HD2 LYS 17 1HD LYS 17 -10.183 24.840 2.461 664 HD3 LYS 17 2HD LYS 17 -11.151 25.651 1.229 665 HE2 LYS 17 1HE LYS 17 -9.079 27.129 2.817 666 HE3 LYS 17 2HE LYS 17 -8.645 26.208 1.379 667 HZ1 LYS 17 3HZ LYS 17 -10.463 28.539 1.556 668 HZ2 LYS 17 1HZ LYS 17 -10.388 27.541 0.191 669 HZ3 LYS 17 2HZ LYS 17 -9.022 28.410 0.680 670 H LEU 18 H LEU 18 -9.947 23.415 5.672 671 HA LEU 18 HA LEU 18 -10.322 21.532 3.547 672 HG LEU 18 HG LEU 18 -8.237 22.504 3.022 673 HB2 LEU 18 1HB LEU 18 -8.326 21.998 5.684 674 HB3 LEU 18 2HB LEU 18 -8.434 20.364 5.035 675 HD11 LEU 18 1HD1 LEU 18 -5.613 22.247 3.557 676 HD12 LEU 18 2HD1 LEU 18 -6.268 22.215 5.193 677 HD13 LEU 18 3HD1 LEU 18 -6.604 23.585 4.136 678 HD21 LEU 18 3HD2 LEU 18 -8.094 20.416 2.089 679 HD22 LEU 18 1HD2 LEU 18 -7.242 19.733 3.475 680 HD23 LEU 18 2HD2 LEU 18 -6.384 20.773 2.337 681 H ALA 19 H ALA 19 -11.048 21.640 6.957 682 HA ALA 19 HA ALA 19 -11.404 18.924 7.487 683 HB1 ALA 19 3HB ALA 19 -11.820 21.330 8.851 684 HB2 ALA 19 1HB ALA 19 -13.377 20.500 8.863 685 HB3 ALA 19 2HB ALA 19 -11.942 19.694 9.499 686 H GLU 20 H GLU 20 -13.729 21.325 6.275 687 HA GLU 20 HA GLU 20 -15.955 19.616 6.165 688 HB2 GLU 20 1HB GLU 20 -15.221 22.170 4.775 689 HB3 GLU 20 2HB GLU 20 -16.676 21.301 4.309 690 HG2 GLU 20 1HG GLU 20 -17.090 21.351 6.925 691 HG3 GLU 20 2HG GLU 20 -16.059 22.775 6.801 692 H GLU 21 H GLU 21 -13.354 20.235 3.880 693 HA GLU 21 HA GLU 21 -14.500 18.868 1.681 694 HB2 GLU 21 1HB GLU 21 -11.623 19.493 2.355 695 HB3 GLU 21 2HB GLU 21 -12.142 18.801 0.826 696 HG2 GLU 21 1HG GLU 21 -13.670 21.158 1.445 697 HG3 GLU 21 2HG GLU 21 -11.941 21.498 1.484 698 H ALA 22 H ALA 22 -12.657 17.833 4.458 699 HA ALA 22 HA ALA 22 -12.063 15.220 3.438 700 HB1 ALA 22 3HB ALA 22 -11.565 16.716 5.909 701 HB2 ALA 22 1HB ALA 22 -11.788 14.981 6.133 702 HB3 ALA 22 2HB ALA 22 -10.536 15.575 5.042 703 H ALA 23 H ALA 23 -14.646 16.673 5.285 704 HA ALA 23 HA ALA 23 -15.799 14.220 6.187 705 HB1 ALA 23 3HB ALA 23 -16.108 16.568 7.170 706 HB2 ALA 23 1HB ALA 23 -17.309 16.795 5.898 707 HB3 ALA 23 2HB ALA 23 -17.519 15.513 7.090 708 H LYS 24 H LYS 24 -16.260 16.318 3.401 709 HA LYS 24 HA LYS 24 -18.591 14.968 2.439 710 HB2 LYS 24 1HB LYS 24 -18.205 16.273 0.372 711 HB3 LYS 24 2HB LYS 24 -18.198 17.275 1.818 712 HG2 LYS 24 1HG LYS 24 -15.760 17.318 1.786 713 HG3 LYS 24 2HG LYS 24 -15.758 16.298 0.346 714 HD2 LYS 24 1HD LYS 24 -17.120 18.983 0.478 715 HD3 LYS 24 2HD LYS 24 -15.458 18.762 -0.073 716 HE2 LYS 24 1HE LYS 24 -17.186 16.895 -1.399 717 HE3 LYS 24 2HE LYS 24 -17.824 18.529 -1.576 718 HZ1 LYS 24 3HZ LYS 24 -15.422 19.114 -2.210 719 HZ2 LYS 24 1HZ LYS 24 -16.384 18.320 -3.352 720 HZ3 LYS 24 2HZ LYS 24 -15.230 17.454 -2.471 721 H LEU 25 H LEU 25 -15.145 14.606 2.001 722 HA LEU 25 HA LEU 25 -15.283 12.912 -0.286 723 HG LEU 25 HG LEU 25 -11.723 13.611 -0.484 724 HB2 LEU 25 1HB LEU 25 -13.266 14.102 1.321 725 HB3 LEU 25 2HB LEU 25 -12.941 12.373 1.232 726 HD11 LEU 25 1HD1 LEU 25 -13.780 12.184 -2.066 727 HD12 LEU 25 2HD1 LEU 25 -12.954 11.275 -0.801 728 HD13 LEU 25 3HD1 LEU 25 -12.023 12.036 -2.089 729 HD21 LEU 25 3HD2 LEU 25 -13.602 15.373 -0.646 730 HD22 LEU 25 1HD2 LEU 25 -14.327 14.265 -1.812 731 HD23 LEU 25 2HD2 LEU 25 -12.723 14.933 -2.113 732 H LEU 26 H LEU 26 -15.072 12.342 3.198 733 HA LEU 26 HA LEU 26 -14.934 9.490 2.927 734 HG LEU 26 HG LEU 26 -15.749 12.407 5.024 735 HB2 LEU 26 1HB LEU 26 -15.252 9.480 5.370 736 HB3 LEU 26 2HB LEU 26 -13.938 10.532 4.847 737 HD11 LEU 26 1HD1 LEU 26 -17.747 11.606 5.626 738 HD12 LEU 26 2HD1 LEU 26 -17.058 11.512 7.246 739 HD13 LEU 26 3HD1 LEU 26 -17.071 10.086 6.209 740 HD21 LEU 26 3HD2 LEU 26 -13.735 12.302 6.378 741 HD22 LEU 26 1HD2 LEU 26 -14.487 11.112 7.439 742 HD23 LEU 26 2HD2 LEU 26 -15.120 12.757 7.372 743 H GLU 27 H GLU 27 -17.452 11.848 3.100 744 HA GLU 27 HA GLU 27 -19.501 9.943 3.840 745 HB2 GLU 27 1HB GLU 27 -19.393 12.869 3.303 746 HB3 GLU 27 2HB GLU 27 -20.937 12.058 3.078 747 HG2 GLU 27 1HG GLU 27 -19.814 11.215 5.554 748 HG3 GLU 27 2HG GLU 27 -19.773 12.975 5.475 749 H GLY 28 H GLY 28 -18.121 11.269 0.948 750 HA2 GLY 28 1HA GLY 28 -18.572 9.660 -0.977 751 HA3 GLY 28 2HA GLY 28 -20.261 10.023 -0.656 752 H GLY 29 H GLY 29 -21.011 12.205 -1.005 753 HA2 GLY 29 1HA GLY 29 -19.372 14.182 -2.223 754 HA3 GLY 29 2HA GLY 29 -20.258 13.283 -3.446 755 H GLY 30 H GLY 30 -21.282 14.247 -0.187 756 HA2 GLY 30 1HA GLY 30 -23.005 16.325 -1.211 757 HA3 GLY 30 2HA GLY 30 -23.867 14.883 -0.697 758 H GLY 31 H GLY 31 -23.180 14.090 1.563 759 HA2 GLY 31 1HA GLY 31 -22.366 14.726 3.749 760 HA3 GLY 31 2HA GLY 31 -22.680 16.402 3.324 761 H GLY 32 H GLY 32 -23.636 14.393 5.484 762 HA2 GLY 32 1HA GLY 32 -25.582 14.867 6.808 763 HA3 GLY 32 2HA GLY 32 -26.447 15.249 5.327 764 H GLY 33 H GLY 33 -24.943 12.573 7.105 765 HA2 GLY 33 1HA GLY 33 -27.192 10.874 6.434 766 HA3 GLY 33 2HA GLY 33 -25.663 10.375 5.725 767 H GLY 34 H GLY 34 -24.813 8.747 6.829 768 HA2 GLY 34 1HA GLY 34 -24.612 8.989 9.743 769 HA3 GLY 34 2HA GLY 34 -25.387 7.554 9.089 770 H GLY 35 H GLY 35 -22.629 8.513 10.413 771 HA2 GLY 35 1HA GLY 35 -21.129 6.289 9.803 772 HA3 GLY 35 2HA GLY 35 -20.673 7.485 8.600 773 H GLU 36 H GLU 36 -19.265 6.201 10.965 774 HA GLU 36 HA GLU 36 -18.809 8.209 12.905 775 HB2 GLU 36 1HB GLU 36 -18.281 5.937 13.447 776 HB3 GLU 36 2HB GLU 36 -17.192 5.801 12.074 777 HG2 GLU 36 1HG GLU 36 -15.671 7.397 13.109 778 HG3 GLU 36 2HG GLU 36 -16.766 7.559 14.480 779 H LEU 37 H LEU 37 -17.363 7.499 9.799 780 HA LEU 37 HA LEU 37 -14.997 8.918 9.946 781 HG LEU 37 HG LEU 37 -15.042 7.127 6.713 782 HB2 LEU 37 1HB LEU 37 -16.906 8.358 7.714 783 HB3 LEU 37 2HB LEU 37 -15.502 9.389 7.438 784 HD11 LEU 37 1HD1 LEU 37 -12.947 6.927 7.654 785 HD12 LEU 37 2HD1 LEU 37 -13.505 7.397 9.259 786 HD13 LEU 37 3HD1 LEU 37 -13.337 8.613 7.994 787 HD21 LEU 37 3HD2 LEU 37 -16.688 6.117 8.378 788 HD22 LEU 37 1HD2 LEU 37 -15.370 6.192 9.547 789 HD23 LEU 37 2HD2 LEU 37 -15.194 5.228 8.081 790 H MET 38 H MET 38 -18.273 10.098 9.559 791 HA MET 38 HA MET 38 -17.499 12.785 8.920 792 HB2 MET 38 1HB MET 38 -19.631 12.044 8.135 793 HB3 MET 38 2HB MET 38 -20.123 11.547 9.749 794 HG2 MET 38 1HG MET 38 -20.123 13.887 10.463 795 HG3 MET 38 2HG MET 38 -19.648 14.376 8.838 796 HE1 MET 38 3HE MET 38 -21.048 15.544 7.711 797 HE2 MET 38 1HE MET 38 -22.758 15.287 7.363 798 HE3 MET 38 2HE MET 38 -22.273 16.048 8.878 799 H LYS 39 H LYS 39 -18.248 10.996 11.831 800 HA LYS 39 HA LYS 39 -18.437 13.310 13.516 801 HB2 LYS 39 1HB LYS 39 -17.933 10.459 14.374 802 HB3 LYS 39 2HB LYS 39 -18.610 11.763 15.342 803 HG2 LYS 39 1HG LYS 39 -20.538 11.806 13.714 804 HG3 LYS 39 2HG LYS 39 -19.890 10.304 13.049 805 HD2 LYS 39 1HD LYS 39 -21.006 9.201 14.626 806 HD3 LYS 39 2HD LYS 39 -19.947 9.944 15.827 807 HE2 LYS 39 1HE LYS 39 -21.468 11.750 16.159 808 HE3 LYS 39 2HE LYS 39 -22.449 11.254 14.779 809 HZ1 LYS 39 3HZ LYS 39 -23.296 9.446 15.931 810 HZ2 LYS 39 1HZ LYS 39 -23.253 10.654 17.115 811 HZ3 LYS 39 2HZ LYS 39 -22.061 9.455 17.087 812 H LEU 40 H LEU 40 -15.908 11.123 12.506 813 HA LEU 40 HA LEU 40 -14.003 11.843 14.484 814 HG LEU 40 HG LEU 40 -12.337 8.883 13.188 815 HB2 LEU 40 1HB LEU 40 -14.115 10.178 12.130 816 HB3 LEU 40 2HB LEU 40 -12.601 11.078 12.193 817 HD11 LEU 40 1HD1 LEU 40 -12.353 10.764 15.510 818 HD12 LEU 40 2HD1 LEU 40 -11.275 11.048 14.144 819 HD13 LEU 40 3HD1 LEU 40 -11.159 9.546 15.061 820 HD21 LEU 40 3HD2 LEU 40 -14.915 9.399 14.236 821 HD22 LEU 40 1HD2 LEU 40 -13.816 9.185 15.600 822 HD23 LEU 40 2HD2 LEU 40 -13.951 7.927 14.370 823 H CYS 41 H CYS 41 -14.811 13.102 11.302 824 HA CYS 41 HA CYS 41 -12.569 14.868 11.144 825 HG CYS 41 HG CYS 41 -13.703 16.608 7.787 826 HB2 CYS 41 1HB CYS 41 -14.214 13.924 9.278 827 HB3 CYS 41 2HB CYS 41 -15.069 15.423 9.619 828 H GLU 42 H GLU 42 -15.997 15.278 11.969 829 HA GLU 42 HA GLU 42 -16.006 18.036 12.337 830 HB2 GLU 42 1HB GLU 42 -17.976 16.396 12.351 831 HB3 GLU 42 2HB GLU 42 -17.599 16.139 14.048 832 HG2 GLU 42 1HG GLU 42 -18.678 17.978 14.629 833 HG3 GLU 42 2HG GLU 42 -17.739 18.946 13.494 834 H GLU 43 H GLU 43 -15.008 15.454 14.505 835 HA GLU 43 HA GLU 43 -14.793 16.951 16.866 836 HB2 GLU 43 1HB GLU 43 -14.711 14.518 16.872 837 HB3 GLU 43 2HB GLU 43 -13.210 14.542 15.958 838 HG2 GLU 43 1HG GLU 43 -12.010 15.457 17.787 839 HG3 GLU 43 2HG GLU 43 -13.494 15.772 18.683 840 H ALA 44 H ALA 44 -12.610 16.549 14.150 841 HA ALA 44 HA ALA 44 -10.347 17.759 15.376 842 HB1 ALA 44 3HB ALA 44 -9.281 17.241 13.474 843 HB2 ALA 44 1HB ALA 44 -10.748 16.343 13.085 844 HB3 ALA 44 2HB ALA 44 -10.522 17.977 12.460 845 H ALA 45 H ALA 45 -12.854 18.965 13.165 846 HA ALA 45 HA ALA 45 -11.818 21.613 13.045 847 HB1 ALA 45 3HB ALA 45 -13.148 21.297 11.243 848 HB2 ALA 45 1HB ALA 45 -14.251 20.224 12.105 849 HB3 ALA 45 2HB ALA 45 -14.371 21.970 12.321 850 H LYS 46 H LYS 46 -13.867 19.923 15.262 851 HA LYS 46 HA LYS 46 -15.226 22.100 16.414 852 HB2 LYS 46 1HB LYS 46 -15.640 19.579 16.719 853 HB3 LYS 46 2HB LYS 46 -14.381 19.650 17.946 854 HG2 LYS 46 1HG LYS 46 -15.672 21.276 19.206 855 HG3 LYS 46 2HG LYS 46 -16.923 21.268 17.959 856 HD2 LYS 46 1HD LYS 46 -17.742 19.245 18.603 857 HD3 LYS 46 2HD LYS 46 -16.163 18.651 19.124 858 HE2 LYS 46 1HE LYS 46 -17.296 20.884 20.687 859 HE3 LYS 46 2HE LYS 46 -18.136 19.340 20.821 860 HZ1 LYS 46 3HZ LYS 46 -15.624 20.135 21.921 861 HZ2 LYS 46 1HZ LYS 46 -15.494 18.695 21.043 862 HZ3 LYS 46 2HZ LYS 46 -16.601 18.811 22.317 863 H LYS 47 H LYS 47 -12.052 20.711 17.010 864 HA LYS 47 HA LYS 47 -11.416 21.947 19.416 865 HB2 LYS 47 1HB LYS 47 -10.083 20.368 17.569 866 HB3 LYS 47 2HB LYS 47 -9.172 21.871 17.551 867 HG2 LYS 47 1HG LYS 47 -8.112 21.185 19.366 868 HG3 LYS 47 2HG LYS 47 -9.636 21.297 20.252 869 HD2 LYS 47 1HD LYS 47 -8.883 18.869 18.644 870 HD3 LYS 47 2HD LYS 47 -8.413 19.065 20.334 871 HE2 LYS 47 1HE LYS 47 -10.494 18.661 21.085 872 HE3 LYS 47 2HE LYS 47 -11.248 19.582 19.784 873 HZ1 LYS 47 3HZ LYS 47 -11.837 17.631 18.939 874 HZ2 LYS 47 1HZ LYS 47 -10.849 16.769 20.008 875 HZ3 LYS 47 2HZ LYS 47 -10.209 17.365 18.561 876 H ALA 48 H ALA 48 -11.216 23.183 16.116 877 HA ALA 48 HA ALA 48 -9.855 25.578 16.699 878 HB1 ALA 48 3HB ALA 48 -10.630 26.348 14.530 879 HB2 ALA 48 1HB ALA 48 -10.084 24.674 14.431 880 HB3 ALA 48 2HB ALA 48 -11.810 25.039 14.467 881 H GLU 49 H GLU 49 -13.263 24.710 16.785 882 HA GLU 49 HA GLU 49 -14.235 27.363 17.130 883 HB2 GLU 49 1HB GLU 49 -15.381 24.911 16.621 884 HB3 GLU 49 2HB GLU 49 -15.889 25.234 18.273 885 HG2 GLU 49 1HG GLU 49 -16.313 27.630 16.944 886 HG3 GLU 49 2HG GLU 49 -16.813 26.391 15.795 887 H GLU 50 H GLU 50 -13.144 24.840 19.301 888 HA GLU 50 HA GLU 50 -14.067 26.198 21.671 889 HB2 GLU 50 1HB GLU 50 -13.978 23.781 21.689 890 HB3 GLU 50 2HB GLU 50 -12.265 23.803 21.291 891 HG2 GLU 50 1HG GLU 50 -11.667 24.592 23.414 892 HG3 GLU 50 2HG GLU 50 -13.322 25.058 23.799 893 H LEU 51 H LEU 51 -11.127 25.991 19.806 894 HA LEU 51 HA LEU 51 -9.434 27.149 21.802 895 HG LEU 51 HG LEU 51 -6.891 25.602 19.712 896 HB2 LEU 51 1HB LEU 51 -9.166 26.080 19.140 897 HB3 LEU 51 2HB LEU 51 -8.289 27.601 19.291 898 HD11 LEU 51 1HD1 LEU 51 -6.426 26.510 22.254 899 HD12 LEU 51 2HD1 LEU 51 -7.243 27.879 21.501 900 HD13 LEU 51 3HD1 LEU 51 -5.777 27.219 20.775 901 HD21 LEU 51 3HD2 LEU 51 -8.469 25.265 22.250 902 HD22 LEU 51 1HD2 LEU 51 -7.208 24.218 21.598 903 HD23 LEU 51 2HD2 LEU 51 -8.777 24.312 20.798 904 H PHE 52 H PHE 52 -11.471 28.359 19.248 905 HA PHE 52 HA PHE 52 -10.422 30.901 18.871 906 HD1 PHE 52 HD1 PHE 52 -12.257 33.217 18.467 907 HD2 PHE 52 HD2 PHE 52 -12.236 29.930 15.762 908 HE1 PHE 52 HE1 PHE 52 -11.922 34.770 16.587 909 HE2 PHE 52 HE2 PHE 52 -11.902 31.477 13.879 910 HZ PHE 52 HZ PHE 52 -11.744 33.901 14.290 911 HB2 PHE 52 1HB PHE 52 -12.645 29.539 17.982 912 HB3 PHE 52 2HB PHE 52 -13.349 30.842 18.933 913 H LYS 53 H LYS 53 -12.401 29.641 21.468 914 HA LYS 53 HA LYS 53 -13.204 32.061 22.633 915 HB2 LYS 53 1HB LYS 53 -14.046 29.741 23.188 916 HB3 LYS 53 2HB LYS 53 -12.578 29.514 24.129 917 HG2 LYS 53 1HG LYS 53 -13.253 31.588 25.420 918 HG3 LYS 53 2HG LYS 53 -14.823 31.442 24.626 919 HD2 LYS 53 1HD LYS 53 -13.624 29.100 26.054 920 HD3 LYS 53 2HD LYS 53 -14.469 30.359 26.958 921 HE2 LYS 53 1HE LYS 53 -16.455 29.569 26.337 922 HE3 LYS 53 2HE LYS 53 -15.984 29.550 24.639 923 HZ1 LYS 53 3HZ LYS 53 -16.492 27.362 26.124 924 HZ2 LYS 53 1HZ LYS 53 -14.804 27.443 26.209 925 HZ3 LYS 53 2HZ LYS 53 -15.572 27.370 24.705 926 H LEU 54 H LEU 54 -10.414 29.982 23.401 927 HA LEU 54 HA LEU 54 -9.323 31.824 25.288 928 HG LEU 54 HG LEU 54 -9.662 29.705 26.361 929 HB2 LEU 54 1HB LEU 54 -8.160 29.428 23.886 930 HB3 LEU 54 2HB LEU 54 -7.289 30.362 25.101 931 HD11 LEU 54 1HD1 LEU 54 -9.858 27.278 26.072 932 HD12 LEU 54 2HD1 LEU 54 -8.693 27.347 24.751 933 HD13 LEU 54 3HD1 LEU 54 -10.253 28.153 24.593 934 HD21 LEU 54 3HD2 LEU 54 -7.116 29.641 27.004 935 HD22 LEU 54 1HD2 LEU 54 -7.286 27.927 26.618 936 HD23 LEU 54 2HD2 LEU 54 -8.295 28.654 27.869 937 H ALA 55 H ALA 55 -8.842 31.191 21.870 938 HA ALA 55 HA ALA 55 -6.484 32.642 21.469 939 HB1 ALA 55 3HB ALA 55 -8.140 31.175 19.879 940 HB2 ALA 55 1HB ALA 55 -8.419 32.811 19.279 941 HB3 ALA 55 2HB ALA 55 -6.785 32.146 19.304 942 H GLU 56 H GLU 56 -9.769 33.689 21.922 943 HA GLU 56 HA GLU 56 -9.376 36.340 20.907 944 HB2 GLU 56 1HB GLU 56 -11.562 34.786 22.043 945 HB3 GLU 56 2HB GLU 56 -11.556 36.446 22.620 946 HG2 GLU 56 1HG GLU 56 -11.270 35.911 19.704 947 HG3 GLU 56 2HG GLU 56 -12.858 35.801 20.461 948 H GLU 57 H GLU 57 -9.199 34.788 24.052 949 HA GLU 57 HA GLU 57 -8.970 37.218 25.539 950 HB2 GLU 57 1HB GLU 57 -9.490 34.626 26.205 951 HB3 GLU 57 2HB GLU 57 -7.814 34.776 26.715 952 HG2 GLU 57 1HG GLU 57 -8.640 36.949 27.875 953 HG3 GLU 57 2HG GLU 57 -10.231 36.208 27.715 954 H ARG 58 H ARG 58 -6.768 35.161 23.830 955 HA ARG 58 HA ARG 58 -4.368 35.882 25.116 956 HE ARG 58 HE ARG 58 -5.322 31.402 22.891 957 HB2 ARG 58 1HB ARG 58 -4.969 34.890 22.335 958 HB3 ARG 58 2HB ARG 58 -3.329 35.216 22.880 959 HG2 ARG 58 1HG ARG 58 -3.690 33.597 24.732 960 HG3 ARG 58 2HG ARG 58 -5.253 33.200 24.014 961 HD2 ARG 58 1HD ARG 58 -3.171 33.100 22.029 962 HD3 ARG 58 2HD ARG 58 -2.759 32.081 23.407 963 HH11 ARG 58 1HH1 ARG 58 -2.469 31.626 20.909 964 HH12 ARG 58 2HH1 ARG 58 -2.968 30.372 19.821 965 HH21 ARG 58 2HH2 ARG 58 -4.971 29.306 20.140 966 HH22 ARG 58 1HH2 ARG 58 -5.989 29.750 21.467 967 H LEU 59 H LEU 59 -6.302 37.457 22.676 968 HA LEU 59 HA LEU 59 -4.356 39.669 22.627 969 HG LEU 59 HG LEU 59 -6.891 37.807 20.850 970 HB2 LEU 59 1HB LEU 59 -5.510 40.151 20.347 971 HB3 LEU 59 2HB LEU 59 -4.239 38.936 20.459 972 HD11 LEU 59 1HD1 LEU 59 -7.932 39.104 19.329 973 HD12 LEU 59 2HD1 LEU 59 -7.110 38.046 18.183 974 HD13 LEU 59 3HD1 LEU 59 -6.424 39.622 18.575 975 HD21 LEU 59 3HD2 LEU 59 -4.822 36.534 20.435 976 HD22 LEU 59 1HD2 LEU 59 -4.721 37.256 18.828 977 HD23 LEU 59 2HD2 LEU 59 -6.073 36.199 19.237 978 H LYS 60 H LYS 60 -7.037 38.891 24.069 979 HA LYS 60 HA LYS 60 -8.977 40.785 23.362 980 HB2 LYS 60 1HB LYS 60 -9.586 38.969 24.795 981 HB3 LYS 60 2HB LYS 60 -8.374 39.420 25.987 982 HG2 LYS 60 1HG LYS 60 -9.606 41.290 26.692 983 HG3 LYS 60 2HG LYS 60 -10.658 41.232 25.275 984 HD2 LYS 60 1HD LYS 60 -12.032 39.739 26.227 985 HD3 LYS 60 2HD LYS 60 -10.691 38.767 26.838 986 HE2 LYS 60 1HE LYS 60 -10.509 40.930 28.446 987 HE3 LYS 60 2HE LYS 60 -12.246 40.899 28.149 988 HZ1 LYS 60 3HZ LYS 60 -11.903 39.585 30.040 989 HZ2 LYS 60 1HZ LYS 60 -10.565 38.793 29.372 990 HZ3 LYS 60 2HZ LYS 60 -12.119 38.471 28.785 991 H LYS 61 H LYS 61 -9.238 42.899 23.782 992 HA LYS 61 HA LYS 61 -7.104 44.526 24.508 993 HB2 LYS 61 1HB LYS 61 -10.051 45.170 24.723 994 HB3 LYS 61 2HB LYS 61 -8.740 46.342 24.665 995 HG2 LYS 61 1HG LYS 61 -8.594 46.237 22.442 996 HG3 LYS 61 2HG LYS 61 -8.726 44.476 22.423 997 HD2 LYS 61 1HD LYS 61 -10.646 45.199 21.305 998 HD3 LYS 61 2HD LYS 61 -11.212 44.856 22.941 999 HE2 LYS 61 1HE LYS 61 -11.686 47.015 23.364 1000 HE3 LYS 61 2HE LYS 61 -10.261 47.601 22.509 1001 HZ1 LYS 61 3HZ LYS 61 -11.867 46.606 20.540 1002 HZ2 LYS 61 1HZ LYS 61 -11.667 48.240 20.930 1003 HZ3 LYS 61 2HZ LYS 61 -12.955 47.366 21.590 1004 H LEU 62 H LEU 62 -7.050 46.067 26.369 1005 HA LEU 62 HA LEU 62 -8.028 44.816 28.847 1006 HG LEU 62 HG LEU 62 -6.340 45.551 30.966 1007 HB2 LEU 62 1HB LEU 62 -5.512 44.550 28.247 1008 HB3 LEU 62 2HB LEU 62 -5.399 46.237 28.744 1009 HD11 LEU 62 1HD1 LEU 62 -7.104 43.281 29.775 1010 HD12 LEU 62 2HD1 LEU 62 -6.802 43.406 31.508 1011 HD13 LEU 62 3HD1 LEU 62 -5.560 42.750 30.443 1012 HD21 LEU 62 3HD2 LEU 62 -3.734 45.328 29.937 1013 HD22 LEU 62 1HD2 LEU 62 -3.984 43.923 30.974 1014 HD23 LEU 62 2HD2 LEU 62 -4.221 45.548 31.619 Start of MODEL 8 1 HA MET 1 HA MET 1 -14.568 2.108 2.306 2 H1 MET 1 1H MET 1 -15.417 4.228 2.074 3 HB2 MET 1 1HB MET 1 -15.577 2.325 -0.504 4 HB3 MET 1 2HB MET 1 -14.833 0.826 0.036 5 HG2 MET 1 1HG MET 1 -16.994 0.361 0.526 6 HG3 MET 1 2HG MET 1 -16.521 1.125 2.040 7 HE1 MET 1 3HE MET 1 -17.207 3.713 2.673 8 HE2 MET 1 1HE MET 1 -18.958 3.826 2.496 9 HE3 MET 1 2HE MET 1 -18.230 2.351 3.130 10 H LYS 2 H LYS 2 -13.278 3.668 -0.607 11 HA LYS 2 HA LYS 2 -10.586 3.166 0.164 12 HB2 LYS 2 1HB LYS 2 -9.971 1.696 -1.725 13 HB3 LYS 2 2HB LYS 2 -11.073 0.916 -0.599 14 HG2 LYS 2 1HG LYS 2 -12.884 1.836 -2.288 15 HG3 LYS 2 2HG LYS 2 -11.516 1.780 -3.401 16 HD2 LYS 2 1HD LYS 2 -12.314 -0.557 -1.679 17 HD3 LYS 2 2HD LYS 2 -12.970 -0.294 -3.297 18 HE2 LYS 2 1HE LYS 2 -10.485 -0.129 -4.009 19 HE3 LYS 2 2HE LYS 2 -10.161 -0.928 -2.472 20 HZ1 LYS 2 3HZ LYS 2 -10.525 -2.813 -3.566 21 HZ2 LYS 2 1HZ LYS 2 -11.193 -2.023 -4.904 22 HZ3 LYS 2 2HZ LYS 2 -12.166 -2.405 -3.574 23 H LYS 3 H LYS 3 -12.834 3.929 -2.446 24 HA LYS 3 HA LYS 3 -10.943 5.408 -3.990 25 HB2 LYS 3 1HB LYS 3 -13.935 5.131 -4.038 26 HB3 LYS 3 2HB LYS 3 -13.123 6.311 -5.059 27 HG2 LYS 3 1HG LYS 3 -13.109 4.621 -6.536 28 HG3 LYS 3 2HG LYS 3 -11.675 4.119 -5.638 29 HD2 LYS 3 1HD LYS 3 -12.863 2.162 -5.624 30 HD3 LYS 3 2HD LYS 3 -13.464 2.895 -4.136 31 HE2 LYS 3 1HE LYS 3 -15.535 2.855 -4.934 32 HE3 LYS 3 2HE LYS 3 -15.040 3.837 -6.313 33 HZ1 LYS 3 3HZ LYS 3 -16.059 1.624 -6.853 34 HZ2 LYS 3 1HZ LYS 3 -14.667 0.899 -6.222 35 HZ3 LYS 3 2HZ LYS 3 -14.555 1.919 -7.566 36 H LEU 4 H LEU 4 -13.041 6.137 -1.326 37 HA LEU 4 HA LEU 4 -12.550 9.012 -1.646 38 HG LEU 4 HG LEU 4 -13.928 6.746 0.900 39 HB2 LEU 4 1HB LEU 4 -14.387 9.418 -0.283 40 HB3 LEU 4 2HB LEU 4 -14.879 8.032 -1.255 41 HD11 LEU 4 1HD1 LEU 4 -14.038 9.461 1.720 42 HD12 LEU 4 2HD1 LEU 4 -13.633 8.035 2.675 43 HD13 LEU 4 3HD1 LEU 4 -15.308 8.576 2.567 44 HD21 LEU 4 3HD2 LEU 4 -16.689 7.947 0.712 45 HD22 LEU 4 1HD2 LEU 4 -16.226 6.502 1.611 46 HD23 LEU 4 2HD2 LEU 4 -16.146 6.506 -0.150 47 H ARG 5 H ARG 5 -11.782 6.267 0.326 48 HA ARG 5 HA ARG 5 -10.936 7.576 2.663 49 HE ARG 5 HE ARG 5 -10.533 2.832 3.260 50 HB2 ARG 5 1HB ARG 5 -11.075 4.952 1.783 51 HB3 ARG 5 2HB ARG 5 -9.350 5.224 1.987 52 HG2 ARG 5 1HG ARG 5 -9.564 4.922 4.164 53 HG3 ARG 5 2HG ARG 5 -10.658 6.304 4.251 54 HD2 ARG 5 1HD ARG 5 -11.892 4.531 5.145 55 HD3 ARG 5 2HD ARG 5 -12.478 4.680 3.488 56 HH11 ARG 5 1HH1 ARG 5 -13.252 3.144 5.412 57 HH12 ARG 5 2HH1 ARG 5 -13.459 1.436 5.609 58 HH21 ARG 5 2HH2 ARG 5 -12.061 -0.022 4.528 59 HH22 ARG 5 1HH2 ARG 5 -10.796 0.581 3.511 60 H GLU 6 H GLU 6 -9.421 7.134 -0.438 61 HA GLU 6 HA GLU 6 -6.765 7.755 0.401 62 HB2 GLU 6 1HB GLU 6 -7.462 6.523 -1.721 63 HB3 GLU 6 2HB GLU 6 -7.868 8.100 -2.384 64 HG2 GLU 6 1HG GLU 6 -5.252 8.244 -1.289 65 HG3 GLU 6 2HG GLU 6 -5.353 6.808 -2.306 66 H GLU 7 H GLU 7 -9.434 9.622 -0.974 67 HA GLU 7 HA GLU 7 -7.944 12.050 -1.185 68 HB2 GLU 7 1HB GLU 7 -10.931 11.582 -1.162 69 HB3 GLU 7 2HB GLU 7 -10.147 13.096 -1.589 70 HG2 GLU 7 1HG GLU 7 -9.045 11.986 -3.473 71 HG3 GLU 7 2HG GLU 7 -9.864 10.482 -3.054 72 H ALA 8 H ALA 8 -9.949 10.568 1.270 73 HA ALA 8 HA ALA 8 -10.190 12.901 2.903 74 HB1 ALA 8 3HB ALA 8 -11.784 11.619 3.763 75 HB2 ALA 8 1HB ALA 8 -11.147 10.193 2.945 76 HB3 ALA 8 2HB ALA 8 -10.526 10.650 4.532 77 H ALA 9 H ALA 9 -8.081 10.052 2.929 78 HA ALA 9 HA ALA 9 -6.725 10.557 5.312 79 HB1 ALA 9 3HB ALA 9 -6.638 8.493 3.791 80 HB2 ALA 9 1HB ALA 9 -5.372 9.359 2.919 81 HB3 ALA 9 2HB ALA 9 -5.159 8.969 4.626 82 H LYS 10 H LYS 10 -6.054 11.684 2.021 83 HA LYS 10 HA LYS 10 -3.662 13.070 2.729 84 HB2 LYS 10 1HB LYS 10 -3.788 14.025 0.483 85 HB3 LYS 10 2HB LYS 10 -4.072 12.289 0.441 86 HG2 LYS 10 1HG LYS 10 -6.461 12.659 0.240 87 HG3 LYS 10 2HG LYS 10 -6.215 14.404 0.350 88 HD2 LYS 10 1HD LYS 10 -4.966 12.691 -1.791 89 HD3 LYS 10 2HD LYS 10 -6.529 13.490 -1.980 90 HE2 LYS 10 1HE LYS 10 -5.442 15.658 -1.552 91 HE3 LYS 10 2HE LYS 10 -3.887 14.838 -1.427 92 HZ1 LYS 10 3HZ LYS 10 -5.128 15.785 -3.725 93 HZ2 LYS 10 1HZ LYS 10 -5.145 14.097 -3.834 94 HZ3 LYS 10 2HZ LYS 10 -3.681 14.916 -3.615 95 H LEU 11 H LEU 11 -7.055 13.907 2.562 96 HA LEU 11 HA LEU 11 -6.924 16.675 2.540 97 HG LEU 11 HG LEU 11 -9.246 16.433 1.384 98 HB2 LEU 11 1HB LEU 11 -8.882 14.689 3.032 99 HB3 LEU 11 2HB LEU 11 -8.985 15.870 4.337 100 HD11 LEU 11 1HD1 LEU 11 -11.442 16.209 1.630 101 HD12 LEU 11 2HD1 LEU 11 -11.446 17.190 3.096 102 HD13 LEU 11 3HD1 LEU 11 -11.113 15.461 3.194 103 HD21 LEU 11 3HD2 LEU 11 -9.327 18.279 3.766 104 HD22 LEU 11 1HD2 LEU 11 -9.846 18.720 2.140 105 HD23 LEU 11 2HD2 LEU 11 -8.160 18.297 2.443 106 H PHE 12 H PHE 12 -6.305 14.429 5.136 107 HA PHE 12 HA PHE 12 -6.517 16.091 7.349 108 HD1 PHE 12 HD1 PHE 12 -7.747 13.708 6.520 109 HD2 PHE 12 HD2 PHE 12 -5.316 13.423 10.002 110 HE1 PHE 12 HE1 PHE 12 -9.579 12.567 7.702 111 HE2 PHE 12 HE2 PHE 12 -7.144 12.281 11.189 112 HZ PHE 12 HZ PHE 12 -9.278 11.851 10.039 113 HB2 PHE 12 1HB PHE 12 -4.905 13.660 6.714 114 HB3 PHE 12 2HB PHE 12 -4.517 14.560 8.176 115 H GLU 13 H GLU 13 -4.026 15.899 4.913 116 HA GLU 13 HA GLU 13 -2.064 17.398 6.339 117 HB2 GLU 13 1HB GLU 13 -2.094 15.915 4.010 118 HB3 GLU 13 2HB GLU 13 -1.913 17.562 3.425 119 HG2 GLU 13 1HG GLU 13 0.219 17.612 4.013 120 HG3 GLU 13 2HG GLU 13 -0.162 17.092 5.653 121 H GLU 14 H GLU 14 -4.695 18.203 4.167 122 HA GLU 14 HA GLU 14 -4.051 20.790 3.449 123 HB2 GLU 14 1HB GLU 14 -6.186 19.211 3.019 124 HB3 GLU 14 2HB GLU 14 -6.873 20.302 4.213 125 HG2 GLU 14 1HG GLU 14 -7.030 21.974 2.756 126 HG3 GLU 14 2HG GLU 14 -5.407 21.696 2.128 127 H TRP 15 H TRP 15 -5.543 19.630 6.435 128 HA TRP 15 HA TRP 15 -6.178 22.092 7.581 129 HD1 TRP 15 HD1 TRP 15 -8.109 20.868 6.913 130 HE1 TRP 15 HE1 TRP 15 -9.843 18.975 6.713 131 HE3 TRP 15 HE3 TRP 15 -6.151 17.607 10.330 132 HZ2 TRP 15 HZ2 TRP 15 -10.317 16.437 7.853 133 HZ3 TRP 15 HZ3 TRP 15 -7.305 15.470 10.717 134 HH2 TRP 15 HH2 TRP 15 -9.345 14.899 9.504 135 HB2 TRP 15 1HB TRP 15 -5.223 19.660 9.100 136 HB3 TRP 15 2HB TRP 15 -6.286 20.938 9.684 137 H LYS 16 H LYS 16 -3.218 20.147 7.957 138 HA LYS 16 HA LYS 16 -1.880 22.061 9.569 139 HB2 LYS 16 1HB LYS 16 -1.164 19.781 9.675 140 HB3 LYS 16 2HB LYS 16 -0.886 19.723 7.939 141 HG2 LYS 16 1HG LYS 16 0.657 21.794 9.294 142 HG3 LYS 16 2HG LYS 16 1.021 20.158 9.847 143 HD2 LYS 16 1HD LYS 16 1.691 19.461 7.719 144 HD3 LYS 16 2HD LYS 16 0.880 20.812 6.922 145 HE2 LYS 16 1HE LYS 16 2.525 22.341 7.600 146 HE3 LYS 16 2HE LYS 16 3.164 21.243 8.822 147 HZ1 LYS 16 3HZ LYS 16 3.538 21.174 5.900 148 HZ2 LYS 16 1HZ LYS 16 3.707 19.759 6.812 149 HZ3 LYS 16 2HZ LYS 16 4.701 21.090 7.126 150 H LYS 17 H LYS 17 -2.232 21.625 6.138 151 HA LYS 17 HA LYS 17 -0.047 23.041 5.170 152 HB2 LYS 17 1HB LYS 17 -1.916 21.745 3.914 153 HB3 LYS 17 2HB LYS 17 -2.761 23.288 3.908 154 HG2 LYS 17 1HG LYS 17 -1.374 24.200 2.379 155 HG3 LYS 17 2HG LYS 17 0.039 23.328 2.978 156 HD2 LYS 17 1HD LYS 17 -0.284 22.300 0.947 157 HD3 LYS 17 2HD LYS 17 -1.216 21.242 2.009 158 HE2 LYS 17 1HE LYS 17 -2.865 21.560 0.522 159 HE3 LYS 17 2HE LYS 17 -3.076 23.109 1.338 160 HZ1 LYS 17 3HZ LYS 17 -2.467 24.178 -0.490 161 HZ2 LYS 17 1HZ LYS 17 -2.483 22.703 -1.320 162 HZ3 LYS 17 2HZ LYS 17 -1.045 23.274 -0.636 163 H LEU 18 H LEU 18 -3.292 24.277 5.969 164 HA LEU 18 HA LEU 18 -2.536 27.003 5.526 165 HG LEU 18 HG LEU 18 -6.167 26.929 4.902 166 HB2 LEU 18 1HB LEU 18 -4.954 25.585 6.525 167 HB3 LEU 18 2HB LEU 18 -4.786 27.305 6.872 168 HD11 LEU 18 1HD1 LEU 18 -3.509 28.072 4.073 169 HD12 LEU 18 2HD1 LEU 18 -4.670 28.923 5.091 170 HD13 LEU 18 3HD1 LEU 18 -5.104 28.479 3.440 171 HD21 LEU 18 3HD2 LEU 18 -3.746 25.798 3.527 172 HD22 LEU 18 1HD2 LEU 18 -5.415 25.843 2.957 173 HD23 LEU 18 2HD2 LEU 18 -4.966 24.775 4.287 174 H ALA 19 H ALA 19 -2.715 24.861 8.286 175 HA ALA 19 HA ALA 19 -2.566 26.791 10.330 176 HB1 ALA 19 3HB ALA 19 -1.773 24.936 11.747 177 HB2 ALA 19 1HB ALA 19 -3.200 24.507 10.803 178 HB3 ALA 19 2HB ALA 19 -1.609 23.931 10.306 179 H GLU 20 H GLU 20 -0.050 25.051 8.540 180 HA GLU 20 HA GLU 20 2.148 26.023 10.007 181 HB2 GLU 20 1HB GLU 20 1.872 24.175 8.070 182 HB3 GLU 20 2HB GLU 20 2.515 25.501 7.111 183 HG2 GLU 20 1HG GLU 20 4.306 24.075 7.853 184 HG3 GLU 20 2HG GLU 20 4.436 25.652 8.628 185 H GLU 21 H GLU 21 0.562 27.218 7.070 186 HA GLU 21 HA GLU 21 2.337 29.353 6.587 187 HB2 GLU 21 1HB GLU 21 0.155 28.271 5.295 188 HB3 GLU 21 2HB GLU 21 -0.432 29.852 5.790 189 HG2 GLU 21 1HG GLU 21 1.211 30.974 4.555 190 HG3 GLU 21 2HG GLU 21 2.179 29.514 4.358 191 H ALA 22 H ALA 22 -0.452 29.014 8.664 192 HA ALA 22 HA ALA 22 -0.881 31.763 9.182 193 HB1 ALA 22 3HB ALA 22 -1.524 29.460 11.016 194 HB2 ALA 22 1HB ALA 22 -2.283 31.053 10.983 195 HB3 ALA 22 2HB ALA 22 -2.517 29.936 9.638 196 H ALA 23 H ALA 23 1.274 29.369 10.549 197 HA ALA 23 HA ALA 23 1.992 30.777 12.890 198 HB1 ALA 23 3HB ALA 23 3.631 29.164 13.205 199 HB2 ALA 23 1HB ALA 23 2.419 28.311 12.249 200 HB3 ALA 23 2HB ALA 23 3.876 28.931 11.473 201 H LYS 24 H LYS 24 3.110 30.924 9.576 202 HA LYS 24 HA LYS 24 5.449 32.474 10.128 203 HB2 LYS 24 1HB LYS 24 4.754 31.022 8.018 204 HB3 LYS 24 2HB LYS 24 4.116 32.563 7.459 205 HG2 LYS 24 1HG LYS 24 6.464 33.474 8.058 206 HG3 LYS 24 2HG LYS 24 6.945 31.776 8.011 207 HD2 LYS 24 1HD LYS 24 6.369 31.566 5.740 208 HD3 LYS 24 2HD LYS 24 5.434 33.064 5.754 209 HE2 LYS 24 1HE LYS 24 7.595 33.316 4.603 210 HE3 LYS 24 2HE LYS 24 7.461 34.362 6.017 211 HZ1 LYS 24 3HZ LYS 24 8.692 31.726 6.359 212 HZ2 LYS 24 1HZ LYS 24 9.022 33.183 7.153 213 HZ3 LYS 24 2HZ LYS 24 9.595 32.929 5.583 214 H LEU 25 H LEU 25 2.103 33.187 9.386 215 HA LEU 25 HA LEU 25 2.507 35.966 8.863 216 HG LEU 25 HG LEU 25 -0.689 35.232 7.227 217 HB2 LEU 25 1HB LEU 25 0.229 34.127 9.122 218 HB3 LEU 25 2HB LEU 25 -0.103 35.794 9.585 219 HD11 LEU 25 1HD1 LEU 25 1.143 37.419 8.037 220 HD12 LEU 25 2HD1 LEU 25 -0.516 37.489 7.443 221 HD13 LEU 25 3HD1 LEU 25 0.813 37.214 6.316 222 HD21 LEU 25 3HD2 LEU 25 1.325 33.729 6.929 223 HD22 LEU 25 1HD2 LEU 25 2.278 35.201 6.735 224 HD23 LEU 25 2HD2 LEU 25 0.976 34.837 5.602 225 H LEU 26 H LEU 26 1.864 34.039 11.707 226 HA LEU 26 HA LEU 26 1.216 36.274 13.389 227 HG LEU 26 HG LEU 26 1.398 35.607 15.892 228 HB2 LEU 26 1HB LEU 26 0.307 34.131 13.938 229 HB3 LEU 26 2HB LEU 26 1.912 33.405 13.981 230 HD11 LEU 26 1HD1 LEU 26 0.501 33.542 17.364 231 HD12 LEU 26 2HD1 LEU 26 -0.197 33.133 15.797 232 HD13 LEU 26 3HD1 LEU 26 -0.554 34.692 16.541 233 HD21 LEU 26 3HD2 LEU 26 3.236 33.447 15.508 234 HD22 LEU 26 1HD2 LEU 26 2.468 33.298 17.088 235 HD23 LEU 26 2HD2 LEU 26 3.313 34.784 16.655 236 H GLU 27 H GLU 27 4.107 34.636 12.406 237 HA GLU 27 HA GLU 27 5.745 35.614 14.550 238 HB2 GLU 27 1HB GLU 27 6.280 34.203 11.957 239 HB3 GLU 27 2HB GLU 27 7.607 34.900 12.875 240 HG2 GLU 27 1HG GLU 27 7.119 33.510 14.760 241 HG3 GLU 27 2HG GLU 27 5.647 32.913 13.995 242 H GLY 28 H GLY 28 4.740 36.769 11.434 243 HA2 GLY 28 1HA GLY 28 4.842 39.028 10.774 244 HA3 GLY 28 2HA GLY 28 6.108 39.294 11.963 245 H GLY 29 H GLY 29 6.264 36.597 9.766 246 HA2 GLY 29 1HA GLY 29 7.611 36.168 7.949 247 HA3 GLY 29 2HA GLY 29 7.774 37.905 7.733 248 H GLY 30 H GLY 30 8.640 36.154 10.660 249 HA2 GLY 30 1HA GLY 30 11.285 35.582 10.272 250 HA3 GLY 30 2HA GLY 30 11.270 37.305 10.622 251 H GLY 31 H GLY 31 9.167 37.356 12.494 252 HA2 GLY 31 1HA GLY 31 8.578 36.388 14.617 253 HA3 GLY 31 2HA GLY 31 10.153 35.609 14.652 254 H GLY 32 H GLY 32 8.473 37.799 16.236 255 HA2 GLY 32 1HA GLY 32 10.770 39.049 17.371 256 HA3 GLY 32 2HA GLY 32 9.893 40.167 16.337 257 H GLY 33 H GLY 33 10.223 39.097 19.444 258 HA2 GLY 33 1HA GLY 33 9.071 39.695 21.351 259 HA3 GLY 33 2HA GLY 33 7.950 40.591 20.336 260 H GLY 34 H GLY 34 7.900 38.381 22.596 261 HA2 GLY 34 1HA GLY 34 5.915 37.191 23.152 262 HA3 GLY 34 2HA GLY 34 5.561 37.039 21.437 263 H GLY 35 H GLY 35 5.245 34.811 21.549 264 HA2 GLY 35 1HA GLY 35 7.209 33.109 20.837 265 HA3 GLY 35 2HA GLY 35 7.345 33.109 22.590 266 H GLU 36 H GLU 36 4.897 33.042 23.555 267 HA GLU 36 HA GLU 36 4.046 30.404 23.139 268 HB2 GLU 36 1HB GLU 36 3.588 31.476 25.233 269 HB3 GLU 36 2HB GLU 36 2.675 32.755 24.445 270 HG2 GLU 36 1HG GLU 36 0.921 31.226 23.867 271 HG3 GLU 36 2HG GLU 36 1.859 29.859 24.467 272 H LEU 37 H LEU 37 3.023 33.431 21.711 273 HA LEU 37 HA LEU 37 0.587 32.686 20.605 274 HG LEU 37 HG LEU 37 0.676 36.229 19.770 275 HB2 LEU 37 1HB LEU 37 2.546 34.780 20.212 276 HB3 LEU 37 2HB LEU 37 1.784 34.313 18.694 277 HD11 LEU 37 1HD1 LEU 37 -0.640 33.700 19.083 278 HD12 LEU 37 2HD1 LEU 37 -0.926 35.332 18.483 279 HD13 LEU 37 3HD1 LEU 37 -1.629 34.822 20.017 280 HD21 LEU 37 3HD2 LEU 37 1.103 34.879 22.114 281 HD22 LEU 37 1HD2 LEU 37 -0.622 34.633 21.841 282 HD23 LEU 37 2HD2 LEU 37 0.034 36.268 21.911 283 H MET 38 H MET 38 3.842 31.927 19.600 284 HA MET 38 HA MET 38 3.106 30.952 17.006 285 HB2 MET 38 1HB MET 38 5.623 30.299 18.537 286 HB3 MET 38 2HB MET 38 5.384 30.259 16.794 287 HG2 MET 38 1HG MET 38 5.089 32.702 16.805 288 HG3 MET 38 2HG MET 38 5.409 32.712 18.537 289 HE1 MET 38 3HE MET 38 8.375 34.442 16.920 290 HE2 MET 38 1HE MET 38 6.778 34.576 17.654 291 HE3 MET 38 2HE MET 38 8.161 34.098 18.637 292 H LYS 39 H LYS 39 3.483 29.581 20.203 293 HA LYS 39 HA LYS 39 3.404 26.851 19.348 294 HB2 LYS 39 1HB LYS 39 2.748 27.910 22.097 295 HB3 LYS 39 2HB LYS 39 3.300 26.295 21.675 296 HG2 LYS 39 1HG LYS 39 5.278 27.999 20.709 297 HG3 LYS 39 2HG LYS 39 4.828 28.657 22.283 298 HD2 LYS 39 1HD LYS 39 5.482 25.753 21.816 299 HD3 LYS 39 2HD LYS 39 6.673 26.951 22.325 300 HE2 LYS 39 1HE LYS 39 4.282 27.047 23.957 301 HE3 LYS 39 2HE LYS 39 5.015 25.443 23.966 302 HZ1 LYS 39 3HZ LYS 39 5.822 27.072 25.699 303 HZ2 LYS 39 1HZ LYS 39 6.597 27.898 24.442 304 HZ3 LYS 39 2HZ LYS 39 7.019 26.298 24.788 305 H LEU 40 H LEU 40 1.040 29.251 20.268 306 HA LEU 40 HA LEU 40 -1.150 27.612 20.811 307 HG LEU 40 HG LEU 40 -2.423 30.899 21.736 308 HB2 LEU 40 1HB LEU 40 -0.682 30.404 20.176 309 HB3 LEU 40 2HB LEU 40 -2.207 29.822 19.513 310 HD11 LEU 40 1HD1 LEU 40 -3.282 28.345 22.601 311 HD12 LEU 40 2HD1 LEU 40 -3.493 28.419 20.852 312 HD13 LEU 40 3HD1 LEU 40 -4.239 29.640 21.883 313 HD21 LEU 40 3HD2 LEU 40 -1.315 28.532 23.102 314 HD22 LEU 40 1HD2 LEU 40 -1.309 30.229 23.580 315 HD23 LEU 40 2HD2 LEU 40 -0.139 29.642 22.398 316 H CYS 41 H CYS 41 -0.115 29.041 17.722 317 HA CYS 41 HA CYS 41 -2.186 27.796 16.212 318 HG CYS 41 HG CYS 41 -2.459 30.690 15.255 319 HB2 CYS 41 1HB CYS 41 -0.017 29.636 15.726 320 HB3 CYS 41 2HB CYS 41 -0.059 28.401 14.473 321 H GLU 42 H GLU 42 1.152 26.986 16.973 322 HA GLU 42 HA GLU 42 1.417 24.837 15.157 323 HB2 GLU 42 1HB GLU 42 3.296 26.017 16.344 324 HB3 GLU 42 2HB GLU 42 2.836 25.152 17.803 325 HG2 GLU 42 1HG GLU 42 3.492 23.094 16.940 326 HG3 GLU 42 2HG GLU 42 3.475 23.680 15.278 327 H GLU 43 H GLU 43 0.037 25.106 18.351 328 HA GLU 43 HA GLU 43 0.013 22.464 19.175 329 HB2 GLU 43 1HB GLU 43 -1.017 24.796 20.145 330 HB3 GLU 43 2HB GLU 43 -2.483 23.939 19.692 331 HG2 GLU 43 1HG GLU 43 -2.080 23.422 21.951 332 HG3 GLU 43 2HG GLU 43 -1.630 21.990 21.028 333 H ALA 44 H ALA 44 -2.295 24.157 17.081 334 HA ALA 44 HA ALA 44 -4.118 22.048 16.763 335 HB1 ALA 44 3HB ALA 44 -3.601 24.621 15.496 336 HB2 ALA 44 1HB ALA 44 -4.261 23.417 14.389 337 HB3 ALA 44 2HB ALA 44 -5.130 23.827 15.869 338 H ALA 45 H ALA 45 -1.349 23.018 14.748 339 HA ALA 45 HA ALA 45 -1.634 20.982 12.824 340 HB1 ALA 45 3HB ALA 45 0.964 21.477 12.619 341 HB2 ALA 45 1HB ALA 45 -0.254 22.616 12.045 342 HB3 ALA 45 2HB ALA 45 0.519 22.867 13.610 343 H LYS 46 H LYS 46 -0.252 21.008 16.008 344 HA LYS 46 HA LYS 46 1.348 18.670 15.726 345 HB2 LYS 46 1HB LYS 46 1.685 20.385 17.497 346 HB3 LYS 46 2HB LYS 46 0.181 19.866 18.246 347 HG2 LYS 46 1HG LYS 46 1.645 17.528 17.952 348 HG3 LYS 46 2HG LYS 46 2.831 18.738 18.447 349 HD2 LYS 46 1HD LYS 46 0.899 19.349 20.172 350 HD3 LYS 46 2HD LYS 46 0.490 17.651 19.914 351 HE2 LYS 46 1HE LYS 46 2.376 16.904 20.934 352 HE3 LYS 46 2HE LYS 46 3.342 18.276 20.395 353 HZ1 LYS 46 3HZ LYS 46 1.275 18.464 22.513 354 HZ2 LYS 46 1HZ LYS 46 2.425 19.631 22.093 355 HZ3 LYS 46 2HZ LYS 46 2.914 18.190 22.831 356 H LYS 47 H LYS 47 -1.968 19.287 16.724 357 HA LYS 47 HA LYS 47 -2.520 16.673 17.674 358 HB2 LYS 47 1HB LYS 47 -4.003 19.134 17.176 359 HB3 LYS 47 2HB LYS 47 -4.943 17.698 16.791 360 HG2 LYS 47 1HG LYS 47 -5.471 17.678 18.954 361 HG3 LYS 47 2HG LYS 47 -3.845 17.041 19.208 362 HD2 LYS 47 1HD LYS 47 -3.455 19.772 19.045 363 HD3 LYS 47 2HD LYS 47 -4.972 19.622 19.936 364 HE2 LYS 47 1HE LYS 47 -3.512 17.730 21.173 365 HE3 LYS 47 2HE LYS 47 -2.228 18.841 20.699 366 HZ1 LYS 47 3HZ LYS 47 -2.799 20.193 22.337 367 HZ2 LYS 47 1HZ LYS 47 -3.952 19.071 22.859 368 HZ3 LYS 47 2HZ LYS 47 -4.392 20.294 21.777 369 H ALA 48 H ALA 48 -2.573 18.153 14.512 370 HA ALA 48 HA ALA 48 -4.085 16.117 13.215 371 HB1 ALA 48 3HB ALA 48 -2.105 17.893 11.827 372 HB2 ALA 48 1HB ALA 48 -3.620 17.229 11.214 373 HB3 ALA 48 2HB ALA 48 -3.645 18.514 12.423 374 H GLU 49 H GLU 49 -0.715 16.533 14.007 375 HA GLU 49 HA GLU 49 0.301 14.565 12.218 376 HB2 GLU 49 1HB GLU 49 1.476 16.493 13.659 377 HB3 GLU 49 2HB GLU 49 1.738 15.143 14.754 378 HG2 GLU 49 1HG GLU 49 3.648 15.078 13.499 379 HG3 GLU 49 2HG GLU 49 2.625 13.943 12.622 380 H GLU 50 H GLU 50 -0.962 14.504 15.484 381 HA GLU 50 HA GLU 50 -0.135 11.781 15.964 382 HB2 GLU 50 1HB GLU 50 -2.077 13.482 17.534 383 HB3 GLU 50 2HB GLU 50 -1.314 11.994 18.076 384 HG2 GLU 50 1HG GLU 50 0.811 13.017 18.202 385 HG3 GLU 50 2HG GLU 50 0.253 14.444 17.330 386 H LEU 51 H LEU 51 -3.010 13.461 14.891 387 HA LEU 51 HA LEU 51 -4.848 11.342 15.205 388 HG LEU 51 HG LEU 51 -7.329 13.821 14.245 389 HB2 LEU 51 1HB LEU 51 -4.895 13.984 14.270 390 HB3 LEU 51 2HB LEU 51 -5.465 12.992 12.929 391 HD11 LEU 51 1HD1 LEU 51 -8.455 11.926 13.930 392 HD12 LEU 51 2HD1 LEU 51 -7.493 11.058 15.125 393 HD13 LEU 51 3HD1 LEU 51 -6.911 11.209 13.468 394 HD21 LEU 51 3HD2 LEU 51 -6.997 14.131 16.426 395 HD22 LEU 51 1HD2 LEU 51 -5.628 13.020 16.454 396 HD23 LEU 51 2HD2 LEU 51 -7.271 12.399 16.614 397 H PHE 52 H PHE 52 -2.516 12.117 12.727 398 HA PHE 52 HA PHE 52 -3.504 10.533 10.640 399 HD1 PHE 52 HD1 PHE 52 -1.995 13.655 9.719 400 HD2 PHE 52 HD2 PHE 52 -1.542 9.633 8.400 401 HE1 PHE 52 HE1 PHE 52 -2.452 14.365 7.407 402 HE2 PHE 52 HE2 PHE 52 -1.997 10.336 6.087 403 HZ PHE 52 HZ PHE 52 -2.452 12.705 5.588 404 HB2 PHE 52 1HB PHE 52 -1.144 12.035 11.183 405 HB3 PHE 52 2HB PHE 52 -0.655 10.447 10.604 406 H LYS 53 H LYS 53 -1.628 9.722 13.481 407 HA LYS 53 HA LYS 53 -0.884 7.106 12.659 408 HB2 LYS 53 1HB LYS 53 -0.775 8.695 15.145 409 HB3 LYS 53 2HB LYS 53 -0.853 6.952 15.371 410 HG2 LYS 53 1HG LYS 53 1.152 8.260 13.557 411 HG3 LYS 53 2HG LYS 53 1.452 7.979 15.274 412 HD2 LYS 53 1HD LYS 53 0.479 5.682 13.672 413 HD3 LYS 53 2HD LYS 53 2.135 6.223 13.384 414 HE2 LYS 53 1HE LYS 53 2.709 5.904 15.682 415 HE3 LYS 53 2HE LYS 53 1.027 5.605 16.117 416 HZ1 LYS 53 3HZ LYS 53 1.874 3.814 14.088 417 HZ2 LYS 53 1HZ LYS 53 1.260 3.471 15.627 418 HZ3 LYS 53 2HZ LYS 53 2.918 3.728 15.416 419 H LEU 54 H LEU 54 -3.575 8.399 14.558 420 HA LEU 54 HA LEU 54 -4.693 5.836 15.147 421 HG LEU 54 HG LEU 54 -6.162 7.896 17.781 422 HB2 LEU 54 1HB LEU 54 -5.347 8.642 15.647 423 HB3 LEU 54 2HB LEU 54 -6.761 7.616 15.407 424 HD11 LEU 54 1HD1 LEU 54 -6.579 5.694 18.377 425 HD12 LEU 54 2HD1 LEU 54 -5.629 5.045 17.042 426 HD13 LEU 54 3HD1 LEU 54 -7.200 5.783 16.729 427 HD21 LEU 54 3HD2 LEU 54 -3.584 7.743 16.977 428 HD22 LEU 54 1HD2 LEU 54 -3.839 6.104 17.580 429 HD23 LEU 54 2HD2 LEU 54 -4.122 7.487 18.638 430 H ALA 55 H ALA 55 -5.227 8.289 12.677 431 HA ALA 55 HA ALA 55 -7.544 7.074 11.553 432 HB1 ALA 55 3HB ALA 55 -5.947 8.696 9.725 433 HB2 ALA 55 1HB ALA 55 -7.618 8.894 10.256 434 HB3 ALA 55 2HB ALA 55 -6.296 9.492 11.259 435 H GLU 56 H GLU 56 -4.116 6.633 11.139 436 HA GLU 56 HA GLU 56 -4.145 5.348 8.630 437 HB2 GLU 56 1HB GLU 56 -2.108 6.240 9.751 438 HB3 GLU 56 2HB GLU 56 -2.203 4.917 10.905 439 HG2 GLU 56 1HG GLU 56 -0.994 3.675 9.541 440 HG3 GLU 56 2HG GLU 56 -2.292 3.751 8.351 441 H GLU 57 H GLU 57 -4.311 4.075 11.937 442 HA GLU 57 HA GLU 57 -4.515 1.349 11.063 443 HB2 GLU 57 1HB GLU 57 -4.579 2.775 13.672 444 HB3 GLU 57 2HB GLU 57 -5.329 1.187 13.601 445 HG2 GLU 57 1HG GLU 57 -3.289 0.162 12.942 446 HG3 GLU 57 2HG GLU 57 -2.513 1.726 12.700 447 H ARG 58 H ARG 58 -6.724 3.933 11.746 448 HA ARG 58 HA ARG 58 -9.044 2.274 12.048 449 HE ARG 58 HE ARG 58 -10.808 5.836 14.999 450 HB2 ARG 58 1HB ARG 58 -8.656 5.234 11.634 451 HB3 ARG 58 2HB ARG 58 -10.252 4.498 11.721 452 HG2 ARG 58 1HG ARG 58 -8.333 3.920 13.910 453 HG3 ARG 58 2HG ARG 58 -9.065 5.523 13.842 454 HD2 ARG 58 1HD ARG 58 -11.139 3.678 13.391 455 HD3 ARG 58 2HD ARG 58 -10.196 3.047 14.740 456 HH11 ARG 58 1HH1 ARG 58 -11.996 2.604 15.510 457 HH12 ARG 58 2HH1 ARG 58 -13.090 3.065 16.773 458 HH21 ARG 58 2HH2 ARG 58 -13.230 5.256 17.425 459 HH22 ARG 58 1HH2 ARG 58 -12.244 6.455 16.660 460 H LEU 59 H LEU 59 -8.535 4.818 9.617 461 HA LEU 59 HA LEU 59 -10.331 3.799 7.756 462 HG LEU 59 HG LEU 59 -10.874 5.995 6.582 463 HB2 LEU 59 1HB LEU 59 -8.080 5.724 7.679 464 HB3 LEU 59 2HB LEU 59 -8.667 5.111 6.134 465 HD11 LEU 59 1HD1 LEU 59 -9.723 6.480 9.283 466 HD12 LEU 59 2HD1 LEU 59 -11.315 5.879 8.824 467 HD13 LEU 59 3HD1 LEU 59 -10.943 7.595 8.666 468 HD21 LEU 59 3HD2 LEU 59 -8.625 7.479 6.031 469 HD22 LEU 59 1HD2 LEU 59 -9.398 8.390 7.328 470 HD23 LEU 59 2HD2 LEU 59 -10.294 8.023 5.853 471 H LYS 60 H LYS 60 -7.017 2.950 8.384 472 HA LYS 60 HA LYS 60 -5.639 1.350 7.539 473 HB2 LYS 60 1HB LYS 60 -7.801 0.036 8.084 474 HB3 LYS 60 2HB LYS 60 -8.054 0.015 6.344 475 HG2 LYS 60 1HG LYS 60 -6.890 -1.887 6.407 476 HG3 LYS 60 2HG LYS 60 -5.477 -0.834 6.522 477 HD2 LYS 60 1HD LYS 60 -6.245 -0.973 9.124 478 HD3 LYS 60 2HD LYS 60 -6.715 -2.573 8.545 479 HE2 LYS 60 1HE LYS 60 -4.524 -3.118 7.933 480 HE3 LYS 60 2HE LYS 60 -4.001 -1.435 7.963 481 HZ1 LYS 60 3HZ LYS 60 -4.697 -3.111 10.313 482 HZ2 LYS 60 1HZ LYS 60 -4.329 -1.462 10.388 483 HZ3 LYS 60 2HZ LYS 60 -3.154 -2.568 9.881 484 H LYS 61 H LYS 61 -4.653 2.758 6.043 485 HA LYS 61 HA LYS 61 -5.665 3.198 3.427 486 HB2 LYS 61 1HB LYS 61 -3.771 4.411 4.883 487 HB3 LYS 61 2HB LYS 61 -2.738 3.364 3.918 488 HG2 LYS 61 1HG LYS 61 -3.723 4.300 1.874 489 HG3 LYS 61 2HG LYS 61 -4.718 5.374 2.862 490 HD2 LYS 61 1HD LYS 61 -2.586 6.273 3.846 491 HD3 LYS 61 2HD LYS 61 -1.712 5.341 2.628 492 HE2 LYS 61 1HE LYS 61 -3.890 7.009 1.579 493 HE3 LYS 61 2HE LYS 61 -2.561 7.907 2.312 494 HZ1 LYS 61 3HZ LYS 61 -1.610 7.676 0.320 495 HZ2 LYS 61 1HZ LYS 61 -2.630 6.411 -0.150 496 HZ3 LYS 61 2HZ LYS 61 -1.269 6.091 0.801 497 H LEU 62 H LEU 62 -3.757 0.689 4.879 498 HA LEU 62 HA LEU 62 -2.906 -1.266 4.090 499 HG LEU 62 HG LEU 62 -4.843 -2.686 4.270 500 HB2 LEU 62 1HB LEU 62 -5.326 -0.774 2.658 501 HB3 LEU 62 2HB LEU 62 -4.165 -1.538 1.575 502 HD11 LEU 62 1HD1 LEU 62 -6.078 -3.632 1.712 503 HD12 LEU 62 2HD1 LEU 62 -6.837 -2.362 2.670 504 HD13 LEU 62 3HD1 LEU 62 -6.568 -3.955 3.375 505 HD21 LEU 62 3HD2 LEU 62 -4.207 -4.753 2.680 506 HD22 LEU 62 1HD2 LEU 62 -3.020 -3.860 3.631 507 HD23 LEU 62 2HD2 LEU 62 -3.240 -3.487 1.921 508 HA MET 1 HA MET 1 -6.500 47.420 18.335 509 H1 MET 1 1H MET 1 -4.217 48.105 20.062 510 HB2 MET 1 1HB MET 1 -4.909 49.988 18.398 511 HB3 MET 1 2HB MET 1 -6.346 49.675 17.435 512 HG2 MET 1 1HG MET 1 -7.212 49.128 19.969 513 HG3 MET 1 2HG MET 1 -6.089 50.460 20.230 514 HE1 MET 1 3HE MET 1 -9.277 49.265 19.632 515 HE2 MET 1 1HE MET 1 -9.777 50.744 20.450 516 HE3 MET 1 2HE MET 1 -10.252 50.459 18.776 517 H LYS 2 H LYS 2 -4.413 45.727 18.106 518 HA LYS 2 HA LYS 2 -2.703 46.626 15.927 519 HB2 LYS 2 1HB LYS 2 -2.810 44.095 17.562 520 HB3 LYS 2 2HB LYS 2 -1.764 44.266 16.159 521 HG2 LYS 2 1HG LYS 2 -1.417 46.513 17.897 522 HG3 LYS 2 2HG LYS 2 -1.232 45.012 18.807 523 HD2 LYS 2 1HD LYS 2 0.251 44.303 16.776 524 HD3 LYS 2 2HD LYS 2 0.359 46.042 16.496 525 HE2 LYS 2 1HE LYS 2 0.783 45.379 19.281 526 HE3 LYS 2 2HE LYS 2 1.914 44.524 18.233 527 HZ1 LYS 2 3HZ LYS 2 1.510 47.448 18.468 528 HZ2 LYS 2 1HZ LYS 2 2.357 46.751 17.180 529 HZ3 LYS 2 2HZ LYS 2 2.921 46.563 18.762 530 H LYS 3 H LYS 3 -2.632 45.640 13.887 531 HA LYS 3 HA LYS 3 -5.198 44.630 12.987 532 HB2 LYS 3 1HB LYS 3 -2.714 45.129 11.344 533 HB3 LYS 3 2HB LYS 3 -4.363 44.962 10.756 534 HG2 LYS 3 1HG LYS 3 -3.444 47.183 12.566 535 HG3 LYS 3 2HG LYS 3 -3.508 47.299 10.805 536 HD2 LYS 3 1HD LYS 3 -5.831 47.197 10.760 537 HD3 LYS 3 2HD LYS 3 -5.927 46.470 12.367 538 HE2 LYS 3 1HE LYS 3 -6.596 48.633 12.794 539 HE3 LYS 3 2HE LYS 3 -4.870 48.722 13.143 540 HZ1 LYS 3 3HZ LYS 3 -4.943 49.304 10.523 541 HZ2 LYS 3 1HZ LYS 3 -4.932 50.460 11.758 542 HZ3 LYS 3 2HZ LYS 3 -6.395 49.995 11.047 543 H LEU 4 H LEU 4 -1.901 43.497 13.397 544 HA LEU 4 HA LEU 4 -2.026 41.116 11.959 545 HG LEU 4 HG LEU 4 -1.062 42.450 15.262 546 HB2 LEU 4 1HB LEU 4 -0.193 40.350 13.338 547 HB3 LEU 4 2HB LEU 4 0.035 42.040 12.894 548 HD11 LEU 4 1HD1 LEU 4 -1.368 40.633 16.491 549 HD12 LEU 4 2HD1 LEU 4 0.369 40.333 16.440 550 HD13 LEU 4 3HD1 LEU 4 -0.684 39.618 15.220 551 HD21 LEU 4 3HD2 LEU 4 1.709 41.977 14.374 552 HD22 LEU 4 1HD2 LEU 4 1.447 41.990 16.118 553 HD23 LEU 4 2HD2 LEU 4 0.986 43.389 15.148 554 H ARG 5 H ARG 5 -3.356 41.957 15.064 555 HA ARG 5 HA ARG 5 -3.748 39.440 16.179 556 HE ARG 5 HE ARG 5 -7.468 40.861 19.634 557 HB2 ARG 5 1HB ARG 5 -4.165 41.666 17.281 558 HB3 ARG 5 2HB ARG 5 -5.674 41.755 16.383 559 HG2 ARG 5 1HG ARG 5 -5.235 39.296 17.951 560 HG3 ARG 5 2HG ARG 5 -5.487 40.783 18.868 561 HD2 ARG 5 1HD ARG 5 -7.385 40.743 16.771 562 HD3 ARG 5 2HD ARG 5 -7.406 39.152 17.531 563 HH11 ARG 5 1HH1 ARG 5 -9.379 40.522 16.743 564 HH12 ARG 5 2HH1 ARG 5 -10.828 41.132 17.473 565 HH21 ARG 5 2HH2 ARG 5 -10.821 41.783 19.669 566 HH22 ARG 5 1HH2 ARG 5 -9.369 41.666 20.605 567 H GLU 6 H GLU 6 -5.987 41.318 14.137 568 HA GLU 6 HA GLU 6 -7.885 39.197 13.946 569 HB2 GLU 6 1HB GLU 6 -7.534 41.738 12.350 570 HB3 GLU 6 2HB GLU 6 -8.878 40.626 12.130 571 HG2 GLU 6 1HG GLU 6 -9.433 40.966 14.548 572 HG3 GLU 6 2HG GLU 6 -8.221 42.245 14.575 573 H GLU 7 H GLU 7 -5.066 40.135 12.146 574 HA GLU 7 HA GLU 7 -5.589 38.831 9.719 575 HB2 GLU 7 1HB GLU 7 -3.476 40.281 10.820 576 HB3 GLU 7 2HB GLU 7 -2.792 38.696 10.484 577 HG2 GLU 7 1HG GLU 7 -2.446 39.499 8.435 578 HG3 GLU 7 2HG GLU 7 -4.165 39.195 8.189 579 H ALA 8 H ALA 8 -3.640 37.690 12.482 580 HA ALA 8 HA ALA 8 -3.221 35.095 11.518 581 HB1 ALA 8 3HB ALA 8 -2.113 36.350 13.491 582 HB2 ALA 8 1HB ALA 8 -3.428 35.666 14.447 583 HB3 ALA 8 2HB ALA 8 -2.313 34.601 13.591 584 H ALA 9 H ALA 9 -5.772 36.409 13.594 585 HA ALA 9 HA ALA 9 -7.055 34.035 14.274 586 HB1 ALA 9 3HB ALA 9 -8.304 36.737 13.789 587 HB2 ALA 9 1HB ALA 9 -9.041 35.401 14.674 588 HB3 ALA 9 2HB ALA 9 -7.589 36.182 15.303 589 H LYS 10 H LYS 10 -7.167 35.906 11.319 590 HA LYS 10 HA LYS 10 -9.463 34.809 10.157 591 HB2 LYS 10 1HB LYS 10 -7.892 36.764 9.390 592 HB3 LYS 10 2HB LYS 10 -7.066 35.494 8.496 593 HG2 LYS 10 1HG LYS 10 -8.539 36.261 6.921 594 HG3 LYS 10 2HG LYS 10 -9.466 34.938 7.633 595 HD2 LYS 10 1HD LYS 10 -10.434 36.718 9.204 596 HD3 LYS 10 2HD LYS 10 -9.773 37.895 8.066 597 HE2 LYS 10 1HE LYS 10 -11.033 36.664 6.256 598 HE3 LYS 10 2HE LYS 10 -11.840 35.769 7.542 599 HZ1 LYS 10 3HZ LYS 10 -11.886 38.619 7.920 600 HZ2 LYS 10 1HZ LYS 10 -13.147 37.494 8.013 601 HZ3 LYS 10 2HZ LYS 10 -12.682 38.120 6.513 602 H LEU 11 H LEU 11 -6.117 33.682 10.180 603 HA LEU 11 HA LEU 11 -6.423 31.574 8.345 604 HG LEU 11 HG LEU 11 -2.803 32.158 8.798 605 HB2 LEU 11 1HB LEU 11 -4.478 32.267 10.481 606 HB3 LEU 11 2HB LEU 11 -4.459 30.620 9.852 607 HD11 LEU 11 1HD1 LEU 11 -2.986 30.527 7.291 608 HD12 LEU 11 2HD1 LEU 11 -4.021 31.633 6.386 609 HD13 LEU 11 3HD1 LEU 11 -4.739 30.442 7.470 610 HD21 LEU 11 3HD2 LEU 11 -4.471 34.108 8.845 611 HD22 LEU 11 1HD2 LEU 11 -5.123 33.405 7.365 612 HD23 LEU 11 2HD2 LEU 11 -3.441 33.931 7.424 613 H PHE 12 H PHE 12 -7.169 31.855 11.740 614 HA PHE 12 HA PHE 12 -7.324 29.187 12.486 615 HD1 PHE 12 HD1 PHE 12 -9.591 28.220 13.813 616 HD2 PHE 12 HD2 PHE 12 -7.221 31.023 15.968 617 HE1 PHE 12 HE1 PHE 12 -9.550 26.696 15.744 618 HE2 PHE 12 HE2 PHE 12 -7.176 29.504 17.902 619 HZ PHE 12 HZ PHE 12 -8.341 27.337 17.791 620 HB2 PHE 12 1HB PHE 12 -7.765 31.474 13.789 621 HB3 PHE 12 2HB PHE 12 -9.440 31.032 13.476 622 H GLU 13 H GLU 13 -9.871 31.237 11.081 623 HA GLU 13 HA GLU 13 -11.797 29.150 10.952 624 HB2 GLU 13 1HB GLU 13 -11.774 31.921 10.532 625 HB3 GLU 13 2HB GLU 13 -12.229 31.226 8.983 626 HG2 GLU 13 1HG GLU 13 -14.296 31.276 9.829 627 HG3 GLU 13 2HG GLU 13 -13.802 29.800 10.656 628 H GLU 14 H GLU 14 -9.390 30.406 8.721 629 HA GLU 14 HA GLU 14 -10.207 29.278 6.341 630 HB2 GLU 14 1HB GLU 14 -7.876 30.509 7.318 631 HB3 GLU 14 2HB GLU 14 -7.354 28.976 6.635 632 HG2 GLU 14 1HG GLU 14 -7.198 30.557 4.903 633 HG3 GLU 14 2HG GLU 14 -8.632 29.591 4.558 634 H TRP 15 H TRP 15 -8.077 27.801 8.785 635 HA TRP 15 HA TRP 15 -8.106 25.256 7.441 636 HD1 TRP 15 HD1 TRP 15 -7.358 22.681 9.421 637 HE1 TRP 15 HE1 TRP 15 -7.564 21.802 11.832 638 HE3 TRP 15 HE3 TRP 15 -6.829 27.097 11.943 639 HZ2 TRP 15 HZ2 TRP 15 -7.510 22.843 14.455 640 HZ3 TRP 15 HZ3 TRP 15 -6.919 27.068 14.402 641 HH2 TRP 15 HH2 TRP 15 -7.252 24.985 15.630 642 HB2 TRP 15 1HB TRP 15 -6.182 25.133 8.584 643 HB3 TRP 15 2HB TRP 15 -6.634 26.494 9.605 644 H LYS 16 H LYS 16 -9.537 26.601 10.392 645 HA LYS 16 HA LYS 16 -10.718 24.330 11.431 646 HB2 LYS 16 1HB LYS 16 -10.760 26.350 12.700 647 HB3 LYS 16 2HB LYS 16 -11.642 27.202 11.439 648 HG2 LYS 16 1HG LYS 16 -12.937 24.815 12.618 649 HG3 LYS 16 2HG LYS 16 -12.814 26.258 13.627 650 HD2 LYS 16 1HD LYS 16 -13.657 27.080 11.050 651 HD3 LYS 16 2HD LYS 16 -14.651 25.699 11.519 652 HE2 LYS 16 1HE LYS 16 -15.001 26.881 13.732 653 HE3 LYS 16 2HE LYS 16 -14.271 28.301 12.984 654 HZ1 LYS 16 3HZ LYS 16 -16.897 27.161 12.599 655 HZ2 LYS 16 1HZ LYS 16 -16.118 27.613 11.168 656 HZ3 LYS 16 2HZ LYS 16 -16.366 28.754 12.392 657 H LYS 17 H LYS 17 -11.656 26.243 8.676 658 HA LYS 17 HA LYS 17 -14.284 25.104 8.442 659 HB2 LYS 17 1HB LYS 17 -13.782 27.349 7.579 660 HB3 LYS 17 2HB LYS 17 -12.635 26.657 6.438 661 HG2 LYS 17 1HG LYS 17 -14.277 26.471 4.969 662 HG3 LYS 17 2HG LYS 17 -15.058 25.298 6.033 663 HD2 LYS 17 1HD LYS 17 -16.314 27.019 7.120 664 HD3 LYS 17 2HD LYS 17 -15.399 28.282 6.293 665 HE2 LYS 17 1HE LYS 17 -16.572 26.453 4.399 666 HE3 LYS 17 2HE LYS 17 -17.803 27.110 5.477 667 HZ1 LYS 17 3HZ LYS 17 -16.090 28.502 3.545 668 HZ2 LYS 17 1HZ LYS 17 -16.592 29.339 4.928 669 HZ3 LYS 17 2HZ LYS 17 -17.740 28.703 3.861 670 H LEU 18 H LEU 18 -11.106 24.479 7.081 671 HA LEU 18 HA LEU 18 -11.896 22.691 5.054 672 HG LEU 18 HG LEU 18 -8.415 23.507 4.242 673 HB2 LEU 18 1HB LEU 18 -9.395 23.421 6.420 674 HB3 LEU 18 2HB LEU 18 -9.425 21.800 5.730 675 HD11 LEU 18 1HD1 LEU 18 -10.217 22.979 2.327 676 HD12 LEU 18 2HD1 LEU 18 -10.710 21.792 3.535 677 HD13 LEU 18 3HD1 LEU 18 -9.056 21.793 2.922 678 HD21 LEU 18 3HD2 LEU 18 -9.413 25.435 3.735 679 HD22 LEU 18 1HD2 LEU 18 -10.537 25.078 5.048 680 HD23 LEU 18 2HD2 LEU 18 -10.952 24.640 3.390 681 H ALA 19 H ALA 19 -11.296 22.273 8.478 682 HA ALA 19 HA ALA 19 -11.141 19.459 8.523 683 HB1 ALA 19 3HB ALA 19 -10.427 20.261 10.514 684 HB2 ALA 19 1HB ALA 19 -11.578 21.598 10.515 685 HB3 ALA 19 2HB ALA 19 -12.108 19.976 10.963 686 H GLU 20 H GLU 20 -13.876 21.689 8.817 687 HA GLU 20 HA GLU 20 -15.808 19.664 9.332 688 HB2 GLU 20 1HB GLU 20 -16.194 22.462 8.254 689 HB3 GLU 20 2HB GLU 20 -17.465 21.424 8.886 690 HG2 GLU 20 1HG GLU 20 -16.296 21.421 11.075 691 HG3 GLU 20 2HG GLU 20 -15.153 22.590 10.417 692 H GLU 21 H GLU 21 -14.451 21.070 6.447 693 HA GLU 21 HA GLU 21 -16.458 20.080 4.664 694 HB2 GLU 21 1HB GLU 21 -13.712 21.244 4.282 695 HB3 GLU 21 2HB GLU 21 -14.614 20.579 2.929 696 HG2 GLU 21 1HG GLU 21 -16.387 22.166 3.260 697 HG3 GLU 21 2HG GLU 21 -15.617 22.773 4.725 698 H ALA 22 H ALA 22 -13.447 18.874 5.955 699 HA ALA 22 HA ALA 22 -13.120 16.735 4.102 700 HB1 ALA 22 3HB ALA 22 -11.129 17.135 5.115 701 HB2 ALA 22 1HB ALA 22 -11.872 17.555 6.659 702 HB3 ALA 22 2HB ALA 22 -11.712 15.862 6.189 703 H ALA 23 H ALA 23 -14.874 17.139 7.095 704 HA ALA 23 HA ALA 23 -15.323 14.379 7.611 705 HB1 ALA 23 3HB ALA 23 -16.830 15.084 9.295 706 HB2 ALA 23 1HB ALA 23 -15.519 16.263 9.275 707 HB3 ALA 23 2HB ALA 23 -17.067 16.653 8.525 708 H LYS 24 H LYS 24 -16.920 16.784 5.650 709 HA LYS 24 HA LYS 24 -19.363 15.387 5.280 710 HB2 LYS 24 1HB LYS 24 -18.024 17.487 3.566 711 HB3 LYS 24 2HB LYS 24 -19.675 16.921 3.349 712 HG2 LYS 24 1HG LYS 24 -20.276 17.767 5.544 713 HG3 LYS 24 2HG LYS 24 -18.611 18.290 5.812 714 HD2 LYS 24 1HD LYS 24 -18.756 19.955 4.156 715 HD3 LYS 24 2HD LYS 24 -20.226 19.259 3.470 716 HE2 LYS 24 1HE LYS 24 -20.595 19.911 6.254 717 HE3 LYS 24 2HE LYS 24 -20.037 21.318 5.350 718 HZ1 LYS 24 3HZ LYS 24 -22.062 19.900 3.937 719 HZ2 LYS 24 1HZ LYS 24 -22.012 21.529 4.393 720 HZ3 LYS 24 2HZ LYS 24 -22.604 20.367 5.470 721 H LEU 25 H LEU 25 -16.249 15.302 3.686 722 HA LEU 25 HA LEU 25 -17.081 13.853 1.389 723 HG LEU 25 HG LEU 25 -15.622 14.473 -0.209 724 HB2 LEU 25 1HB LEU 25 -14.576 14.761 2.571 725 HB3 LEU 25 2HB LEU 25 -14.432 13.206 1.754 726 HD11 LEU 25 1HD1 LEU 25 -14.489 16.696 1.470 727 HD12 LEU 25 2HD1 LEU 25 -16.127 16.531 0.838 728 HD13 LEU 25 3HD1 LEU 25 -14.786 16.851 -0.262 729 HD21 LEU 25 3HD2 LEU 25 -12.754 14.537 0.627 730 HD22 LEU 25 1HD2 LEU 25 -13.262 15.352 -0.852 731 HD23 LEU 25 2HD2 LEU 25 -13.526 13.618 -0.665 732 H LEU 26 H LEU 26 -16.052 12.941 4.607 733 HA LEU 26 HA LEU 26 -15.692 10.167 4.022 734 HG LEU 26 HG LEU 26 -13.601 11.300 5.350 735 HB2 LEU 26 1HB LEU 26 -15.771 11.857 6.461 736 HB3 LEU 26 2HB LEU 26 -16.054 10.128 6.655 737 HD11 LEU 26 1HD1 LEU 26 -13.880 11.903 7.776 738 HD12 LEU 26 2HD1 LEU 26 -12.431 10.976 7.386 739 HD13 LEU 26 3HD1 LEU 26 -13.814 10.177 8.134 740 HD21 LEU 26 3HD2 LEU 26 -13.374 8.670 6.514 741 HD22 LEU 26 1HD2 LEU 26 -13.022 9.208 4.872 742 HD23 LEU 26 2HD2 LEU 26 -14.661 8.723 5.308 743 H GLU 27 H GLU 27 -18.339 12.137 5.268 744 HA GLU 27 HA GLU 27 -20.045 9.934 5.874 745 HB2 GLU 27 1HB GLU 27 -20.743 12.836 5.390 746 HB3 GLU 27 2HB GLU 27 -21.804 11.632 6.108 747 HG2 GLU 27 1HG GLU 27 -20.735 11.671 8.105 748 HG3 GLU 27 2HG GLU 27 -19.168 12.040 7.387 749 H GLY 28 H GLY 28 -19.347 11.777 3.016 750 HA2 GLY 28 1HA GLY 28 -20.135 11.652 0.863 751 HA3 GLY 28 2HA GLY 28 -20.447 9.964 1.234 752 H GLY 29 H GLY 29 -21.838 13.215 1.597 753 HA2 GLY 29 1HA GLY 29 -24.119 13.345 0.508 754 HA3 GLY 29 2HA GLY 29 -24.511 11.965 1.523 755 H GLY 30 H GLY 30 -23.021 12.951 3.823 756 HA2 GLY 30 1HA GLY 30 -23.110 14.758 5.378 757 HA3 GLY 30 2HA GLY 30 -24.501 15.393 4.512 758 H GLY 31 H GLY 31 -23.394 13.025 6.839 759 HA2 GLY 31 1HA GLY 31 -25.126 12.941 8.734 760 HA3 GLY 31 2HA GLY 31 -26.195 12.359 7.466 761 H GLY 32 H GLY 32 -25.975 10.264 6.689 762 HA2 GLY 32 1HA GLY 32 -24.754 8.424 8.540 763 HA3 GLY 32 2HA GLY 32 -25.680 8.005 7.106 764 H GLY 33 H GLY 33 -24.499 6.794 5.788 765 HA2 GLY 33 1HA GLY 33 -22.701 5.965 4.622 766 HA3 GLY 33 2HA GLY 33 -22.245 7.652 4.437 767 H GLY 34 H GLY 34 -22.345 5.482 7.264 768 HA2 GLY 34 1HA GLY 34 -20.070 4.561 7.899 769 HA3 GLY 34 2HA GLY 34 -19.534 6.229 7.770 770 H GLY 35 H GLY 35 -20.577 7.809 9.228 771 HA2 GLY 35 1HA GLY 35 -21.851 8.247 11.220 772 HA3 GLY 35 2HA GLY 35 -21.608 6.571 11.693 773 H GLU 36 H GLU 36 -19.271 5.952 12.079 774 HA GLU 36 HA GLU 36 -18.203 7.643 14.075 775 HB2 GLU 36 1HB GLU 36 -17.852 5.281 14.250 776 HB3 GLU 36 2HB GLU 36 -17.078 5.219 12.673 777 HG2 GLU 36 1HG GLU 36 -15.199 6.501 13.522 778 HG3 GLU 36 2HG GLU 36 -15.979 6.622 15.098 779 H LEU 37 H LEU 37 -17.489 7.203 10.678 780 HA LEU 37 HA LEU 37 -14.989 8.387 10.499 781 HG LEU 37 HG LEU 37 -17.029 6.329 8.894 782 HB2 LEU 37 1HB LEU 37 -17.224 8.705 8.506 783 HB3 LEU 37 2HB LEU 37 -15.495 8.829 8.190 784 HD11 LEU 37 1HD1 LEU 37 -17.182 5.946 6.713 785 HD12 LEU 37 2HD1 LEU 37 -15.473 6.304 6.465 786 HD13 LEU 37 3HD1 LEU 37 -16.658 7.610 6.453 787 HD21 LEU 37 3HD2 LEU 37 -14.154 6.969 8.957 788 HD22 LEU 37 1HD2 LEU 37 -14.591 5.473 8.133 789 HD23 LEU 37 2HD2 LEU 37 -15.063 5.722 9.813 790 H MET 38 H MET 38 -18.130 9.845 10.936 791 HA MET 38 HA MET 38 -17.287 12.515 10.332 792 HB2 MET 38 1HB MET 38 -19.609 11.982 10.062 793 HB3 MET 38 2HB MET 38 -19.729 11.411 11.722 794 HG2 MET 38 1HG MET 38 -19.691 13.554 12.600 795 HG3 MET 38 2HG MET 38 -18.973 14.242 11.146 796 HE1 MET 38 3HE MET 38 -21.730 12.024 12.233 797 HE2 MET 38 1HE MET 38 -23.222 12.902 11.893 798 HE3 MET 38 2HE MET 38 -22.480 11.908 10.640 799 H LYS 39 H LYS 39 -17.349 10.496 13.165 800 HA LYS 39 HA LYS 39 -17.002 12.625 15.052 801 HB2 LYS 39 1HB LYS 39 -18.013 10.574 15.804 802 HB3 LYS 39 2HB LYS 39 -16.625 9.636 15.271 803 HG2 LYS 39 1HG LYS 39 -15.795 11.677 17.112 804 HG3 LYS 39 2HG LYS 39 -17.092 10.704 17.809 805 HD2 LYS 39 1HD LYS 39 -15.841 8.791 17.812 806 HD3 LYS 39 2HD LYS 39 -14.886 9.285 16.412 807 HE2 LYS 39 1HE LYS 39 -13.396 9.368 18.223 808 HE3 LYS 39 2HE LYS 39 -13.859 11.046 17.938 809 HZ1 LYS 39 3HZ LYS 39 -15.639 9.827 19.771 810 HZ2 LYS 39 1HZ LYS 39 -14.655 11.186 19.985 811 HZ3 LYS 39 2HZ LYS 39 -14.046 9.641 20.308 812 H LEU 40 H LEU 40 -14.878 10.409 13.327 813 HA LEU 40 HA LEU 40 -12.507 11.034 14.730 814 HG LEU 40 HG LEU 40 -10.662 9.914 14.104 815 HB2 LEU 40 1HB LEU 40 -13.090 9.120 13.032 816 HB3 LEU 40 2HB LEU 40 -12.462 10.266 11.849 817 HD11 LEU 40 1HD1 LEU 40 -10.029 7.667 13.776 818 HD12 LEU 40 2HD1 LEU 40 -11.072 7.498 12.365 819 HD13 LEU 40 3HD1 LEU 40 -11.782 7.651 13.971 820 HD21 LEU 40 3HD2 LEU 40 -10.326 9.436 11.146 821 HD22 LEU 40 1HD2 LEU 40 -9.039 9.642 12.335 822 HD23 LEU 40 2HD2 LEU 40 -10.111 10.990 11.953 823 H CYS 41 H CYS 41 -13.960 12.350 11.782 824 HA CYS 41 HA CYS 41 -11.816 14.168 11.270 825 HG CYS 41 HG CYS 41 -12.870 16.315 8.832 826 HB2 CYS 41 1HB CYS 41 -13.808 13.203 9.737 827 HB3 CYS 41 2HB CYS 41 -14.514 14.752 10.182 828 H GLU 42 H GLU 42 -14.981 14.410 12.821 829 HA GLU 42 HA GLU 42 -14.946 17.212 13.195 830 HB2 GLU 42 1HB GLU 42 -17.020 15.971 13.348 831 HB3 GLU 42 2HB GLU 42 -16.403 15.035 14.702 832 HG2 GLU 42 1HG GLU 42 -16.406 17.954 15.067 833 HG3 GLU 42 2HG GLU 42 -17.989 17.188 14.958 834 H GLU 43 H GLU 43 -13.580 14.548 14.986 835 HA GLU 43 HA GLU 43 -13.160 15.677 17.471 836 HB2 GLU 43 1HB GLU 43 -12.622 13.314 16.715 837 HB3 GLU 43 2HB GLU 43 -11.128 13.959 16.051 838 HG2 GLU 43 1HG GLU 43 -10.408 13.234 18.089 839 HG3 GLU 43 2HG GLU 43 -10.814 14.908 18.467 840 H ALA 44 H ALA 44 -11.259 16.055 14.517 841 HA ALA 44 HA ALA 44 -9.117 17.498 15.622 842 HB1 ALA 44 3HB ALA 44 -8.397 17.167 13.549 843 HB2 ALA 44 1HB ALA 44 -10.024 16.750 13.008 844 HB3 ALA 44 2HB ALA 44 -9.495 18.433 13.002 845 H ALA 45 H ALA 45 -12.323 18.469 14.634 846 HA ALA 45 HA ALA 45 -11.788 21.281 14.625 847 HB1 ALA 45 3HB ALA 45 -13.600 20.543 13.293 848 HB2 ALA 45 1HB ALA 45 -14.339 19.686 14.645 849 HB3 ALA 45 2HB ALA 45 -14.305 21.450 14.631 850 H LYS 46 H LYS 46 -12.806 18.941 17.009 851 HA LYS 46 HA LYS 46 -13.892 20.607 18.952 852 HB2 LYS 46 1HB LYS 46 -13.397 17.942 18.777 853 HB3 LYS 46 2HB LYS 46 -12.174 18.421 19.947 854 HG2 LYS 46 1HG LYS 46 -14.870 19.487 20.438 855 HG3 LYS 46 2HG LYS 46 -14.701 17.735 20.585 856 HD2 LYS 46 1HD LYS 46 -12.652 18.252 22.040 857 HD3 LYS 46 2HD LYS 46 -13.285 19.897 22.117 858 HE2 LYS 46 1HE LYS 46 -15.146 19.264 23.323 859 HE3 LYS 46 2HE LYS 46 -15.087 17.601 22.741 860 HZ1 LYS 46 3HZ LYS 46 -13.269 18.849 24.729 861 HZ2 LYS 46 1HZ LYS 46 -13.070 17.291 24.101 862 HZ3 LYS 46 2HZ LYS 46 -14.435 17.660 25.028 863 H LYS 47 H LYS 47 -10.512 19.516 18.643 864 HA LYS 47 HA LYS 47 -9.451 20.950 20.775 865 HB2 LYS 47 1HB LYS 47 -8.103 20.289 18.149 866 HB3 LYS 47 2HB LYS 47 -7.284 20.725 19.644 867 HG2 LYS 47 1HG LYS 47 -9.124 18.370 19.561 868 HG3 LYS 47 2HG LYS 47 -7.465 18.239 18.972 869 HD2 LYS 47 1HD LYS 47 -6.779 17.947 21.067 870 HD3 LYS 47 2HD LYS 47 -7.345 19.574 21.453 871 HE2 LYS 47 1HE LYS 47 -9.622 18.584 21.828 872 HE3 LYS 47 2HE LYS 47 -8.883 16.992 21.667 873 HZ1 LYS 47 3HZ LYS 47 -8.996 18.636 23.935 874 HZ2 LYS 47 1HZ LYS 47 -7.371 18.460 23.498 875 HZ3 LYS 47 2HZ LYS 47 -8.321 17.092 23.790 876 H ALA 48 H ALA 48 -10.449 22.027 17.637 877 HA ALA 48 HA ALA 48 -8.994 24.490 17.655 878 HB1 ALA 48 3HB ALA 48 -10.501 23.059 15.787 879 HB2 ALA 48 1HB ALA 48 -11.353 24.588 16.012 880 HB3 ALA 48 2HB ALA 48 -9.654 24.585 15.537 881 H GLU 49 H GLU 49 -12.031 23.403 18.934 882 HA GLU 49 HA GLU 49 -13.192 25.996 19.259 883 HB2 GLU 49 1HB GLU 49 -14.533 23.914 19.126 884 HB3 GLU 49 2HB GLU 49 -13.868 23.411 20.673 885 HG2 GLU 49 1HG GLU 49 -16.003 24.295 21.119 886 HG3 GLU 49 2HG GLU 49 -14.842 25.510 21.653 887 H GLU 50 H GLU 50 -11.173 23.898 21.205 888 HA GLU 50 HA GLU 50 -11.463 25.497 23.588 889 HB2 GLU 50 1HB GLU 50 -9.785 23.989 24.549 890 HB3 GLU 50 2HB GLU 50 -11.087 23.092 23.778 891 HG2 GLU 50 1HG GLU 50 -9.718 22.592 21.887 892 HG3 GLU 50 2HG GLU 50 -8.443 23.663 22.466 893 H LEU 51 H LEU 51 -9.276 25.278 20.887 894 HA LEU 51 HA LEU 51 -7.103 26.693 22.022 895 HG LEU 51 HG LEU 51 -5.162 26.208 20.594 896 HB2 LEU 51 1HB LEU 51 -7.886 25.692 19.407 897 HB3 LEU 51 2HB LEU 51 -7.024 27.226 19.312 898 HD11 LEU 51 1HD1 LEU 51 -6.452 23.549 20.103 899 HD12 LEU 51 2HD1 LEU 51 -6.715 24.436 21.604 900 HD13 LEU 51 3HD1 LEU 51 -5.085 23.946 21.144 901 HD21 LEU 51 3HD2 LEU 51 -4.232 25.690 18.642 902 HD22 LEU 51 1HD2 LEU 51 -5.824 25.902 17.912 903 HD23 LEU 51 2HD2 LEU 51 -5.296 24.300 18.426 904 H PHE 52 H PHE 52 -9.845 27.723 20.016 905 HA PHE 52 HA PHE 52 -9.171 30.398 19.705 906 HD1 PHE 52 HD1 PHE 52 -11.004 32.484 19.517 907 HD2 PHE 52 HD2 PHE 52 -11.472 29.209 16.840 908 HE1 PHE 52 HE1 PHE 52 -11.046 34.047 17.617 909 HE2 PHE 52 HE2 PHE 52 -11.515 30.766 14.936 910 HZ PHE 52 HZ PHE 52 -11.301 33.189 15.323 911 HB2 PHE 52 1HB PHE 52 -11.360 28.792 19.082 912 HB3 PHE 52 2HB PHE 52 -12.025 30.044 20.126 913 H LYS 53 H LYS 53 -10.604 28.736 22.432 914 HA LYS 53 HA LYS 53 -11.467 31.007 23.869 915 HB2 LYS 53 1HB LYS 53 -11.346 28.181 24.277 916 HB3 LYS 53 2HB LYS 53 -10.675 28.976 25.694 917 HG2 LYS 53 1HG LYS 53 -12.830 28.998 26.338 918 HG3 LYS 53 2HG LYS 53 -12.874 30.466 25.359 919 HD2 LYS 53 1HD LYS 53 -13.615 29.089 23.427 920 HD3 LYS 53 2HD LYS 53 -13.689 27.690 24.501 921 HE2 LYS 53 1HE LYS 53 -15.859 28.360 24.637 922 HE3 LYS 53 2HE LYS 53 -15.186 29.347 25.933 923 HZ1 LYS 53 3HZ LYS 53 -16.540 30.729 24.575 924 HZ2 LYS 53 1HZ LYS 53 -15.781 30.205 23.157 925 HZ3 LYS 53 2HZ LYS 53 -14.932 31.154 24.270 926 H LEU 54 H LEU 54 -8.410 29.236 23.817 927 HA LEU 54 HA LEU 54 -7.227 30.827 25.892 928 HG LEU 54 HG LEU 54 -5.644 29.528 26.991 929 HB2 LEU 54 1HB LEU 54 -6.518 28.507 24.307 930 HB3 LEU 54 2HB LEU 54 -5.166 29.627 24.469 931 HD11 LEU 54 1HD1 LEU 54 -6.861 27.735 27.854 932 HD12 LEU 54 2HD1 LEU 54 -6.904 26.896 26.303 933 HD13 LEU 54 3HD1 LEU 54 -7.874 28.349 26.546 934 HD21 LEU 54 3HD2 LEU 54 -4.710 26.878 26.505 935 HD22 LEU 54 1HD2 LEU 54 -3.790 28.315 26.954 936 HD23 LEU 54 2HD2 LEU 54 -4.076 27.948 25.252 937 H ALA 55 H ALA 55 -6.906 30.644 22.361 938 HA ALA 55 HA ALA 55 -4.933 32.578 22.022 939 HB1 ALA 55 3HB ALA 55 -6.682 31.091 20.357 940 HB2 ALA 55 1HB ALA 55 -6.764 32.782 19.861 941 HB3 ALA 55 2HB ALA 55 -5.208 31.951 19.913 942 H GLU 56 H GLU 56 -8.359 32.915 22.625 943 HA GLU 56 HA GLU 56 -8.572 35.654 21.899 944 HB2 GLU 56 1HB GLU 56 -10.279 33.609 23.043 945 HB3 GLU 56 2HB GLU 56 -10.514 35.153 23.849 946 HG2 GLU 56 1HG GLU 56 -11.091 36.225 21.810 947 HG3 GLU 56 2HG GLU 56 -10.600 34.821 20.864 948 H GLU 57 H GLU 57 -8.187 34.015 25.033 949 HA GLU 57 HA GLU 57 -8.098 36.367 26.586 950 HB2 GLU 57 1HB GLU 57 -8.331 33.807 27.234 951 HB3 GLU 57 2HB GLU 57 -6.591 33.940 27.443 952 HG2 GLU 57 1HG GLU 57 -6.782 35.444 29.190 953 HG3 GLU 57 2HG GLU 57 -8.418 35.917 28.735 954 H ARG 58 H ARG 58 -5.725 34.736 24.661 955 HA ARG 58 HA ARG 58 -3.474 36.082 25.876 956 HE ARG 58 HE ARG 58 -3.305 33.147 27.665 957 HB2 ARG 58 1HB ARG 58 -3.607 34.461 23.327 958 HB3 ARG 58 2HB ARG 58 -2.143 34.967 24.158 959 HG2 ARG 58 1HG ARG 58 -4.096 33.392 25.724 960 HG3 ARG 58 2HG ARG 58 -3.209 32.548 24.452 961 HD2 ARG 58 1HD ARG 58 -1.469 32.377 25.820 962 HD3 ARG 58 2HD ARG 58 -1.336 34.135 25.833 963 HH11 ARG 58 1HH1 ARG 58 0.089 33.781 27.213 964 HH12 ARG 58 2HH1 ARG 58 0.416 33.952 28.906 965 HH21 ARG 58 2HH2 ARG 58 -1.277 33.718 30.431 966 HH22 ARG 58 1HH2 ARG 58 -2.886 33.371 29.896 967 H LEU 59 H LEU 59 -5.446 36.390 22.975 968 HA LEU 59 HA LEU 59 -3.880 38.715 22.125 969 HG LEU 59 HG LEU 59 -4.262 35.769 20.737 970 HB2 LEU 59 1HB LEU 59 -6.129 37.287 20.713 971 HB3 LEU 59 2HB LEU 59 -5.127 38.572 20.041 972 HD11 LEU 59 1HD1 LEU 59 -5.553 36.060 18.644 973 HD12 LEU 59 2HD1 LEU 59 -3.896 35.522 18.375 974 HD13 LEU 59 3HD1 LEU 59 -4.333 37.207 18.090 975 HD21 LEU 59 3HD2 LEU 59 -2.734 38.209 20.551 976 HD22 LEU 59 1HD2 LEU 59 -2.243 37.054 19.312 977 HD23 LEU 59 2HD2 LEU 59 -2.213 36.587 21.012 978 H LYS 60 H LYS 60 -5.775 38.637 24.440 979 HA LYS 60 HA LYS 60 -8.105 40.104 23.750 980 HB2 LYS 60 1HB LYS 60 -6.848 39.095 26.164 981 HB3 LYS 60 2HB LYS 60 -7.519 40.702 26.415 982 HG2 LYS 60 1HG LYS 60 -9.662 39.808 25.397 983 HG3 LYS 60 2HG LYS 60 -8.946 38.203 25.563 984 HD2 LYS 60 1HD LYS 60 -10.279 38.560 27.495 985 HD3 LYS 60 2HD LYS 60 -8.597 38.736 28.002 986 HE2 LYS 60 1HE LYS 60 -8.787 40.999 28.317 987 HE3 LYS 60 2HE LYS 60 -10.078 41.165 27.127 988 HZ1 LYS 60 3HZ LYS 60 -11.085 39.565 29.144 989 HZ2 LYS 60 1HZ LYS 60 -11.497 41.172 28.810 990 HZ3 LYS 60 2HZ LYS 60 -10.277 40.827 29.929 991 H LYS 61 H LYS 61 -5.488 41.282 25.849 992 HA LYS 61 HA LYS 61 -5.726 43.899 24.515 993 HB2 LYS 61 1HB LYS 61 -4.954 44.875 26.677 994 HB3 LYS 61 2HB LYS 61 -6.513 44.066 26.782 995 HG2 LYS 61 1HG LYS 61 -5.768 42.620 28.300 996 HG3 LYS 61 2HG LYS 61 -4.302 42.282 27.376 997 HD2 LYS 61 1HD LYS 61 -3.327 43.274 29.170 998 HD3 LYS 61 2HD LYS 61 -3.696 44.736 28.252 999 HE2 LYS 61 1HE LYS 61 -5.891 43.804 29.948 1000 HE3 LYS 61 2HE LYS 61 -4.440 44.258 30.840 1001 HZ1 LYS 61 3HZ LYS 61 -5.385 46.285 30.690 1002 HZ2 LYS 61 1HZ LYS 61 -6.261 45.916 29.291 1003 HZ3 LYS 61 2HZ LYS 61 -4.619 46.308 29.180 1004 H LEU 62 H LEU 62 -3.676 45.266 24.873 1005 HA LEU 62 HA LEU 62 -1.480 45.609 24.399 1006 HG LEU 62 HG LEU 62 0.858 44.786 24.697 1007 HB2 LEU 62 1HB LEU 62 -1.335 44.231 26.541 1008 HB3 LEU 62 2HB LEU 62 -0.941 42.866 25.498 1009 HD11 LEU 62 1HD1 LEU 62 0.907 44.867 27.690 1010 HD12 LEU 62 2HD1 LEU 62 0.013 46.070 26.760 1011 HD13 LEU 62 3HD1 LEU 62 1.753 45.895 26.532 1012 HD21 LEU 62 3HD2 LEU 62 2.503 43.404 25.823 1013 HD22 LEU 62 1HD2 LEU 62 1.268 42.392 25.075 1014 HD23 LEU 62 2HD2 LEU 62 1.241 42.673 26.816 Start of MODEL 9 1 HA MET 1 HA MET 1 -14.187 5.902 -9.328 2 H1 MET 1 1H MET 1 -16.234 4.868 -9.506 3 HB2 MET 1 1HB MET 1 -15.809 7.169 -7.119 4 HB3 MET 1 2HB MET 1 -14.265 7.802 -7.671 5 HG2 MET 1 1HG MET 1 -15.822 7.447 -9.973 6 HG3 MET 1 2HG MET 1 -16.882 8.175 -8.769 7 HE1 MET 1 3HE MET 1 -14.650 9.499 -11.704 8 HE2 MET 1 1HE MET 1 -16.367 9.297 -11.357 9 HE3 MET 1 2HE MET 1 -15.642 10.904 -11.309 10 H LYS 2 H LYS 2 -15.351 4.866 -6.138 11 HA LYS 2 HA LYS 2 -14.227 4.176 -4.266 12 HB2 LYS 2 1HB LYS 2 -12.858 2.257 -4.618 13 HB3 LYS 2 2HB LYS 2 -14.099 2.235 -5.865 14 HG2 LYS 2 1HG LYS 2 -12.582 2.894 -7.534 15 HG3 LYS 2 2HG LYS 2 -11.364 3.373 -6.350 16 HD2 LYS 2 1HD LYS 2 -10.487 1.331 -6.400 17 HD3 LYS 2 2HD LYS 2 -12.036 0.635 -5.916 18 HE2 LYS 2 1HE LYS 2 -11.747 1.449 -8.749 19 HE3 LYS 2 2HE LYS 2 -10.830 0.038 -8.225 20 HZ1 LYS 2 3HZ LYS 2 -12.744 -1.127 -7.731 21 HZ2 LYS 2 1HZ LYS 2 -13.205 -0.278 -9.120 22 HZ3 LYS 2 2HZ LYS 2 -13.700 0.262 -7.596 23 H LYS 3 H LYS 3 -11.552 3.473 -3.852 24 HA LYS 3 HA LYS 3 -9.567 4.381 -3.212 25 HB2 LYS 3 1HB LYS 3 -9.766 4.842 -5.893 26 HB3 LYS 3 2HB LYS 3 -9.532 6.474 -5.285 27 HG2 LYS 3 1HG LYS 3 -7.361 5.928 -5.527 28 HG3 LYS 3 2HG LYS 3 -7.597 5.227 -3.923 29 HD2 LYS 3 1HD LYS 3 -8.405 3.315 -5.874 30 HD3 LYS 3 2HD LYS 3 -6.811 3.929 -6.319 31 HE2 LYS 3 1HE LYS 3 -7.525 2.922 -3.570 32 HE3 LYS 3 2HE LYS 3 -6.782 1.926 -4.820 33 HZ1 LYS 3 3HZ LYS 3 -4.853 2.648 -4.019 34 HZ2 LYS 3 1HZ LYS 3 -5.583 3.856 -3.086 35 HZ3 LYS 3 2HZ LYS 3 -5.208 4.152 -4.708 36 H LEU 4 H LEU 4 -11.951 5.431 -2.052 37 HA LEU 4 HA LEU 4 -11.474 8.294 -1.778 38 HG LEU 4 HG LEU 4 -13.189 5.445 -0.298 39 HB2 LEU 4 1HB LEU 4 -13.512 8.204 -0.331 40 HB3 LEU 4 2HB LEU 4 -13.758 7.720 -2.008 41 HD11 LEU 4 1HD1 LEU 4 -15.279 5.472 0.948 42 HD12 LEU 4 2HD1 LEU 4 -15.635 7.088 0.341 43 HD13 LEU 4 3HD1 LEU 4 -14.255 6.832 1.410 44 HD21 LEU 4 3HD2 LEU 4 -15.780 5.869 -1.684 45 HD22 LEU 4 1HD2 LEU 4 -14.754 4.437 -1.610 46 HD23 LEU 4 2HD2 LEU 4 -14.321 5.778 -2.671 47 H ARG 5 H ARG 5 -10.979 5.317 -0.069 48 HA ARG 5 HA ARG 5 -10.696 6.282 2.545 49 HE ARG 5 HE ARG 5 -12.441 1.968 4.626 50 HB2 ARG 5 1HB ARG 5 -9.488 3.921 1.115 51 HB3 ARG 5 2HB ARG 5 -9.167 4.248 2.812 52 HG2 ARG 5 1HG ARG 5 -12.000 4.165 1.951 53 HG3 ARG 5 2HG ARG 5 -11.115 2.640 2.018 54 HD2 ARG 5 1HD ARG 5 -10.490 3.130 4.347 55 HD3 ARG 5 2HD ARG 5 -11.422 4.625 4.270 56 HH11 ARG 5 1HH1 ARG 5 -13.174 5.165 3.457 57 HH12 ARG 5 2HH1 ARG 5 -14.885 4.991 3.666 58 HH21 ARG 5 2HH2 ARG 5 -15.748 3.036 4.492 59 HH22 ARG 5 1HH2 ARG 5 -14.693 1.727 4.906 60 H GLU 6 H GLU 6 -8.153 5.614 0.131 61 HA GLU 6 HA GLU 6 -6.040 6.684 1.641 62 HB2 GLU 6 1HB GLU 6 -6.429 5.638 -1.024 63 HB3 GLU 6 2HB GLU 6 -5.382 7.049 -1.063 64 HG2 GLU 6 1HG GLU 6 -4.267 5.751 0.987 65 HG3 GLU 6 2HG GLU 6 -4.927 4.376 0.103 66 H GLU 7 H GLU 7 -8.254 8.147 -0.674 67 HA GLU 7 HA GLU 7 -6.966 10.610 -0.998 68 HB2 GLU 7 1HB GLU 7 -9.763 9.635 -1.326 69 HB3 GLU 7 2HB GLU 7 -9.493 11.371 -1.314 70 HG2 GLU 7 1HG GLU 7 -7.710 10.908 -3.096 71 HG3 GLU 7 2HG GLU 7 -8.478 9.329 -3.251 72 H ALA 8 H ALA 8 -8.978 9.379 1.572 73 HA ALA 8 HA ALA 8 -9.518 11.883 2.815 74 HB1 ALA 8 3HB ALA 8 -10.336 9.240 3.174 75 HB2 ALA 8 1HB ALA 8 -9.521 9.681 4.674 76 HB3 ALA 8 2HB ALA 8 -10.868 10.655 4.082 77 H ALA 9 H ALA 9 -7.113 9.335 3.393 78 HA ALA 9 HA ALA 9 -5.894 10.388 5.654 79 HB1 ALA 9 3HB ALA 9 -4.352 8.762 5.385 80 HB2 ALA 9 1HB ALA 9 -5.498 8.181 4.177 81 HB3 ALA 9 2HB ALA 9 -4.097 9.132 3.679 82 H LYS 10 H LYS 10 -5.175 11.007 2.232 83 HA LYS 10 HA LYS 10 -3.069 12.861 2.818 84 HB2 LYS 10 1HB LYS 10 -4.510 12.009 0.330 85 HB3 LYS 10 2HB LYS 10 -3.461 13.420 0.298 86 HG2 LYS 10 1HG LYS 10 -1.559 12.189 0.568 87 HG3 LYS 10 2HG LYS 10 -2.386 10.898 1.443 88 HD2 LYS 10 1HD LYS 10 -2.751 9.743 -0.433 89 HD3 LYS 10 2HD LYS 10 -3.360 11.168 -1.277 90 HE2 LYS 10 1HE LYS 10 -1.510 10.910 -2.531 91 HE3 LYS 10 2HE LYS 10 -0.717 11.730 -1.188 92 HZ1 LYS 10 3HZ LYS 10 -0.578 8.942 -2.003 93 HZ2 LYS 10 1HZ LYS 10 -0.614 9.226 -0.336 94 HZ3 LYS 10 2HZ LYS 10 0.601 9.921 -1.286 95 H LEU 11 H LEU 11 -6.503 13.068 2.193 96 HA LEU 11 HA LEU 11 -6.791 15.741 1.543 97 HG LEU 11 HG LEU 11 -9.349 16.208 3.626 98 HB2 LEU 11 1HB LEU 11 -8.650 14.218 1.474 99 HB3 LEU 11 2HB LEU 11 -8.563 13.970 3.217 100 HD11 LEU 11 1HD1 LEU 11 -8.282 17.406 1.844 101 HD12 LEU 11 2HD1 LEU 11 -10.022 17.664 1.732 102 HD13 LEU 11 3HD1 LEU 11 -9.225 16.537 0.633 103 HD21 LEU 11 3HD2 LEU 11 -11.299 15.115 3.481 104 HD22 LEU 11 1HD2 LEU 11 -10.851 14.316 1.973 105 HD23 LEU 11 2HD2 LEU 11 -11.483 15.962 1.944 106 H PHE 12 H PHE 12 -6.173 14.261 4.655 107 HA PHE 12 HA PHE 12 -6.805 16.384 6.343 108 HD1 PHE 12 HD1 PHE 12 -7.795 13.844 6.075 109 HD2 PHE 12 HD2 PHE 12 -5.668 14.544 9.696 110 HE1 PHE 12 HE1 PHE 12 -9.658 12.870 7.354 111 HE2 PHE 12 HE2 PHE 12 -7.527 13.570 10.980 112 HZ PHE 12 HZ PHE 12 -9.525 12.732 9.810 113 HB2 PHE 12 1HB PHE 12 -4.959 14.047 6.511 114 HB3 PHE 12 2HB PHE 12 -4.793 15.321 7.715 115 H GLU 13 H GLU 13 -4.108 15.920 4.209 116 HA GLU 13 HA GLU 13 -2.315 17.765 5.374 117 HB2 GLU 13 1HB GLU 13 -1.926 15.981 3.519 118 HB3 GLU 13 2HB GLU 13 -2.430 17.257 2.419 119 HG2 GLU 13 1HG GLU 13 -0.588 18.576 2.893 120 HG3 GLU 13 2HG GLU 13 -0.267 17.752 4.418 121 H GLU 14 H GLU 14 -5.037 18.125 3.216 122 HA GLU 14 HA GLU 14 -4.581 20.618 2.122 123 HB2 GLU 14 1HB GLU 14 -7.153 19.334 3.038 124 HB3 GLU 14 2HB GLU 14 -7.107 20.858 2.163 125 HG2 GLU 14 1HG GLU 14 -5.731 19.531 0.418 126 HG3 GLU 14 2HG GLU 14 -6.413 18.113 1.214 127 H TRP 15 H TRP 15 -6.088 19.854 5.249 128 HA TRP 15 HA TRP 15 -6.690 22.440 6.064 129 HD1 TRP 15 HD1 TRP 15 -8.618 21.164 5.560 130 HE1 TRP 15 HE1 TRP 15 -10.387 19.296 5.624 131 HE3 TRP 15 HE3 TRP 15 -6.719 18.379 9.404 132 HZ2 TRP 15 HZ2 TRP 15 -10.909 16.951 7.108 133 HZ3 TRP 15 HZ3 TRP 15 -7.913 16.339 10.085 134 HH2 TRP 15 HH2 TRP 15 -9.965 15.642 8.959 135 HB2 TRP 15 1HB TRP 15 -5.749 20.220 7.885 136 HB3 TRP 15 2HB TRP 15 -6.787 21.578 8.309 137 H LYS 16 H LYS 16 -3.690 20.597 6.477 138 HA LYS 16 HA LYS 16 -2.265 22.339 8.075 139 HB2 LYS 16 1HB LYS 16 -1.614 20.019 7.125 140 HB3 LYS 16 2HB LYS 16 -0.963 20.924 5.764 141 HG2 LYS 16 1HG LYS 16 0.923 21.040 6.934 142 HG3 LYS 16 2HG LYS 16 0.095 22.231 7.941 143 HD2 LYS 16 1HD LYS 16 -0.263 20.743 9.642 144 HD3 LYS 16 2HD LYS 16 -0.319 19.351 8.557 145 HE2 LYS 16 1HE LYS 16 1.680 19.346 9.995 146 HE3 LYS 16 2HE LYS 16 2.084 19.428 8.281 147 HZ1 LYS 16 3HZ LYS 16 3.406 20.956 9.644 148 HZ2 LYS 16 1HZ LYS 16 1.995 21.764 10.111 149 HZ3 LYS 16 2HZ LYS 16 2.480 21.777 8.491 150 H LYS 17 H LYS 17 -2.998 22.569 4.666 151 HA LYS 17 HA LYS 17 -1.141 24.447 3.831 152 HB2 LYS 17 1HB LYS 17 -2.852 23.239 2.416 153 HB3 LYS 17 2HB LYS 17 -4.037 24.411 2.978 154 HG2 LYS 17 1HG LYS 17 -2.134 26.085 2.102 155 HG3 LYS 17 2HG LYS 17 -1.845 24.712 1.031 156 HD2 LYS 17 1HD LYS 17 -4.480 24.814 0.789 157 HD3 LYS 17 2HD LYS 17 -4.215 26.499 1.245 158 HE2 LYS 17 1HE LYS 17 -2.789 26.865 -0.619 159 HE3 LYS 17 2HE LYS 17 -2.704 25.140 -0.976 160 HZ1 LYS 17 3HZ LYS 17 -4.264 25.739 -2.480 161 HZ2 LYS 17 1HZ LYS 17 -4.812 27.062 -1.581 162 HZ3 LYS 17 2HZ LYS 17 -5.305 25.498 -1.170 163 H LEU 18 H LEU 18 -4.349 25.019 5.263 164 HA LEU 18 HA LEU 18 -3.999 27.861 5.329 165 HG LEU 18 HG LEU 18 -6.169 25.884 4.315 166 HB2 LEU 18 1HB LEU 18 -5.995 26.156 6.809 167 HB3 LEU 18 2HB LEU 18 -6.089 27.897 6.557 168 HD11 LEU 18 1HD1 LEU 18 -8.169 25.340 5.189 169 HD12 LEU 18 2HD1 LEU 18 -8.678 26.857 4.450 170 HD13 LEU 18 3HD1 LEU 18 -8.266 26.806 6.164 171 HD21 LEU 18 3HD2 LEU 18 -7.310 28.623 4.171 172 HD22 LEU 18 1HD2 LEU 18 -6.577 27.632 2.909 173 HD23 LEU 18 2HD2 LEU 18 -5.556 28.450 4.093 174 H ALA 19 H ALA 19 -3.491 25.213 7.560 175 HA ALA 19 HA ALA 19 -3.244 26.701 9.935 176 HB1 ALA 19 3HB ALA 19 -2.981 24.003 9.160 177 HB2 ALA 19 1HB ALA 19 -1.494 24.448 9.997 178 HB3 ALA 19 2HB ALA 19 -3.053 24.666 10.792 179 H GLU 20 H GLU 20 -0.859 25.740 7.498 180 HA GLU 20 HA GLU 20 1.398 26.764 8.862 181 HB2 GLU 20 1HB GLU 20 1.196 25.151 6.791 182 HB3 GLU 20 2HB GLU 20 1.301 26.650 5.876 183 HG2 GLU 20 1HG GLU 20 3.495 26.668 6.104 184 HG3 GLU 20 2HG GLU 20 3.338 26.658 7.859 185 H GLU 21 H GLU 21 -0.841 28.156 6.522 186 HA GLU 21 HA GLU 21 0.594 30.569 6.115 187 HB2 GLU 21 1HB GLU 21 -2.098 29.533 5.455 188 HB3 GLU 21 2HB GLU 21 -1.952 31.282 5.547 189 HG2 GLU 21 1HG GLU 21 0.242 30.535 4.059 190 HG3 GLU 21 2HG GLU 21 -1.026 29.441 3.509 191 H ALA 22 H ALA 22 -1.723 29.505 8.499 192 HA ALA 22 HA ALA 22 -2.386 32.062 9.535 193 HB1 ALA 22 3HB ALA 22 -3.634 29.858 9.859 194 HB2 ALA 22 1HB ALA 22 -2.455 29.518 11.126 195 HB3 ALA 22 2HB ALA 22 -3.504 30.930 11.254 196 H ALA 23 H ALA 23 0.208 29.794 10.147 197 HA ALA 23 HA ALA 23 1.128 31.067 12.542 198 HB1 ALA 23 3HB ALA 23 1.508 28.644 11.839 199 HB2 ALA 23 1HB ALA 23 2.785 29.274 10.797 200 HB3 ALA 23 2HB ALA 23 2.875 29.507 12.543 201 H LYS 24 H LYS 24 1.809 31.356 9.122 202 HA LYS 24 HA LYS 24 4.177 32.928 9.428 203 HB2 LYS 24 1HB LYS 24 2.329 32.539 7.068 204 HB3 LYS 24 2HB LYS 24 3.857 33.408 6.998 205 HG2 LYS 24 1HG LYS 24 5.110 31.460 7.371 206 HG3 LYS 24 2HG LYS 24 3.695 30.557 7.917 207 HD2 LYS 24 1HD LYS 24 3.993 29.753 5.766 208 HD3 LYS 24 2HD LYS 24 2.793 31.025 5.526 209 HE2 LYS 24 1HE LYS 24 4.762 32.563 5.033 210 HE3 LYS 24 2HE LYS 24 5.742 31.100 4.940 211 HZ1 LYS 24 3HZ LYS 24 3.784 30.410 3.323 212 HZ2 LYS 24 1HZ LYS 24 5.138 31.268 2.780 213 HZ3 LYS 24 2HZ LYS 24 3.695 32.086 3.111 214 H LEU 25 H LEU 25 0.757 33.600 9.198 215 HA LEU 25 HA LEU 25 1.047 36.405 8.718 216 HG LEU 25 HG LEU 25 -2.471 36.267 7.822 217 HB2 LEU 25 1HB LEU 25 -1.058 34.524 8.792 218 HB3 LEU 25 2HB LEU 25 -1.446 35.783 9.964 219 HD11 LEU 25 1HD1 LEU 25 -1.028 38.013 9.338 220 HD12 LEU 25 2HD1 LEU 25 -2.095 38.464 8.009 221 HD13 LEU 25 3HD1 LEU 25 -0.362 38.291 7.729 222 HD21 LEU 25 3HD2 LEU 25 -0.362 36.997 6.162 223 HD22 LEU 25 1HD2 LEU 25 -1.431 35.608 5.971 224 HD23 LEU 25 2HD2 LEU 25 0.105 35.428 6.818 225 H LEU 26 H LEU 26 0.796 34.364 11.546 226 HA LEU 26 HA LEU 26 0.345 36.515 13.386 227 HG LEU 26 HG LEU 26 -1.483 34.912 14.131 228 HB2 LEU 26 1HB LEU 26 0.570 33.626 13.481 229 HB3 LEU 26 2HB LEU 26 1.405 34.395 14.828 230 HD11 LEU 26 1HD1 LEU 26 -2.144 33.337 15.725 231 HD12 LEU 26 2HD1 LEU 26 -0.517 33.188 16.388 232 HD13 LEU 26 3HD1 LEU 26 -0.885 32.517 14.800 233 HD21 LEU 26 3HD2 LEU 26 -1.474 35.686 16.543 234 HD22 LEU 26 1HD2 LEU 26 -0.624 36.712 15.389 235 HD23 LEU 26 2HD2 LEU 26 0.288 35.640 16.451 236 H GLU 27 H GLU 27 3.142 34.751 12.193 237 HA GLU 27 HA GLU 27 4.942 36.089 14.027 238 HB2 GLU 27 1HB GLU 27 6.682 34.762 13.033 239 HB3 GLU 27 2HB GLU 27 5.291 33.726 13.316 240 HG2 GLU 27 1HG GLU 27 5.540 33.061 11.215 241 HG3 GLU 27 2HG GLU 27 4.876 34.627 10.755 242 H GLY 28 H GLY 28 3.782 36.462 10.782 243 HA2 GLY 28 1HA GLY 28 5.896 38.352 10.089 244 HA3 GLY 28 2HA GLY 28 4.616 37.786 9.026 245 H GLY 29 H GLY 29 5.033 39.689 12.016 246 HA2 GLY 29 1HA GLY 29 3.788 41.992 10.973 247 HA3 GLY 29 2HA GLY 29 2.596 41.060 11.867 248 H GLY 30 H GLY 30 4.510 40.051 13.815 249 HA2 GLY 30 1HA GLY 30 5.916 42.107 15.107 250 HA3 GLY 30 2HA GLY 30 4.281 42.078 15.751 251 H GLY 31 H GLY 31 7.294 40.324 15.466 252 HA2 GLY 31 1HA GLY 31 6.834 39.007 17.969 253 HA3 GLY 31 2HA GLY 31 6.711 37.900 16.609 254 H GLY 32 H GLY 32 8.553 36.954 17.936 255 HA2 GLY 32 1HA GLY 32 10.977 37.394 16.547 256 HA3 GLY 32 2HA GLY 32 11.060 38.164 18.125 257 H GLY 33 H GLY 33 12.049 36.958 19.592 258 HA2 GLY 33 1HA GLY 33 12.309 34.100 19.203 259 HA3 GLY 33 2HA GLY 33 13.068 35.058 20.466 260 H GLY 34 H GLY 34 11.371 32.493 20.346 261 HA2 GLY 34 1HA GLY 34 9.917 31.438 21.777 262 HA3 GLY 34 2HA GLY 34 10.162 32.789 22.876 263 H GLY 35 H GLY 35 8.639 32.443 19.664 264 HA2 GLY 35 1HA GLY 35 6.446 34.137 20.565 265 HA3 GLY 35 2HA GLY 35 6.733 33.589 18.920 266 H GLU 36 H GLU 36 5.013 33.062 21.811 267 HA GLU 36 HA GLU 36 4.329 30.349 21.542 268 HB2 GLU 36 1HB GLU 36 3.904 31.464 23.619 269 HB3 GLU 36 2HB GLU 36 2.878 32.657 22.835 270 HG2 GLU 36 1HG GLU 36 1.199 31.001 22.387 271 HG3 GLU 36 2HG GLU 36 2.245 29.722 23.001 272 H LEU 37 H LEU 37 3.055 33.252 20.061 273 HA LEU 37 HA LEU 37 0.620 32.319 19.103 274 HG LEU 37 HG LEU 37 0.748 35.957 18.466 275 HB2 LEU 37 1HB LEU 37 2.571 34.363 18.134 276 HB3 LEU 37 2HB LEU 37 1.163 33.962 17.154 277 HD11 LEU 37 1HD1 LEU 37 -0.937 34.108 19.985 278 HD12 LEU 37 2HD1 LEU 37 -0.915 33.809 18.248 279 HD13 LEU 37 3HD1 LEU 37 -1.382 35.395 18.863 280 HD21 LEU 37 3HD2 LEU 37 0.952 34.347 20.984 281 HD22 LEU 37 1HD2 LEU 37 0.935 36.098 20.778 282 HD23 LEU 37 2HD2 LEU 37 2.362 35.169 20.316 283 H MET 38 H MET 38 3.866 31.724 17.968 284 HA MET 38 HA MET 38 3.071 30.611 15.447 285 HB2 MET 38 1HB MET 38 5.609 30.940 16.948 286 HB3 MET 38 2HB MET 38 5.554 29.637 15.770 287 HG2 MET 38 1HG MET 38 5.207 31.103 13.987 288 HG3 MET 38 2HG MET 38 4.733 32.425 15.052 289 HE1 MET 38 3HE MET 38 6.309 34.404 15.255 290 HE2 MET 38 1HE MET 38 6.425 33.533 16.785 291 HE3 MET 38 2HE MET 38 7.883 34.158 16.014 292 H LYS 39 H LYS 39 3.692 29.386 18.665 293 HA LYS 39 HA LYS 39 3.728 26.624 17.896 294 HB2 LYS 39 1HB LYS 39 3.226 27.760 20.648 295 HB3 LYS 39 2HB LYS 39 3.794 26.144 20.250 296 HG2 LYS 39 1HG LYS 39 5.849 27.187 19.291 297 HG3 LYS 39 2HG LYS 39 5.287 28.735 19.926 298 HD2 LYS 39 1HD LYS 39 5.456 27.990 22.160 299 HD3 LYS 39 2HD LYS 39 5.619 26.304 21.666 300 HE2 LYS 39 1HE LYS 39 7.694 27.763 20.412 301 HE3 LYS 39 2HE LYS 39 7.657 28.251 22.106 302 HZ1 LYS 39 3HZ LYS 39 7.368 25.492 22.055 303 HZ2 LYS 39 1HZ LYS 39 8.707 26.380 22.587 304 HZ3 LYS 39 2HZ LYS 39 8.625 25.854 20.982 305 H LEU 40 H LEU 40 1.298 28.928 18.861 306 HA LEU 40 HA LEU 40 -0.756 27.233 19.661 307 HG LEU 40 HG LEU 40 -1.832 29.066 21.021 308 HB2 LEU 40 1HB LEU 40 -0.457 29.941 19.204 309 HB3 LEU 40 2HB LEU 40 -1.684 29.457 18.033 310 HD11 LEU 40 1HD1 LEU 40 -3.867 30.638 20.556 311 HD12 LEU 40 2HD1 LEU 40 -2.926 31.105 19.142 312 HD13 LEU 40 3HD1 LEU 40 -2.249 31.309 20.757 313 HD21 LEU 40 3HD2 LEU 40 -3.345 27.940 18.783 314 HD22 LEU 40 1HD2 LEU 40 -4.342 28.697 20.025 315 HD23 LEU 40 2HD2 LEU 40 -3.224 27.404 20.459 316 H CYS 41 H CYS 41 -0.124 28.527 16.400 317 HA CYS 41 HA CYS 41 -2.168 27.034 15.140 318 HG CYS 41 HG CYS 41 -1.601 30.309 13.032 319 HB2 CYS 41 1HB CYS 41 0.345 28.124 13.859 320 HB3 CYS 41 2HB CYS 41 -1.172 27.741 13.055 321 H GLU 42 H GLU 42 1.253 26.422 15.715 322 HA GLU 42 HA GLU 42 1.519 24.150 14.082 323 HB2 GLU 42 1HB GLU 42 3.419 25.415 15.059 324 HB3 GLU 42 2HB GLU 42 3.001 24.774 16.642 325 HG2 GLU 42 1HG GLU 42 3.232 22.468 15.384 326 HG3 GLU 42 2HG GLU 42 4.262 23.426 14.321 327 H GLU 43 H GLU 43 0.323 24.574 17.349 328 HA GLU 43 HA GLU 43 0.343 21.883 18.157 329 HB2 GLU 43 1HB GLU 43 -0.088 24.011 19.550 330 HB3 GLU 43 2HB GLU 43 -1.757 23.857 19.019 331 HG2 GLU 43 1HG GLU 43 -2.162 22.081 20.345 332 HG3 GLU 43 2HG GLU 43 -0.536 21.428 20.155 333 H ALA 44 H ALA 44 -2.134 23.815 16.517 334 HA ALA 44 HA ALA 44 -4.118 21.802 16.465 335 HB1 ALA 44 3HB ALA 44 -4.427 23.508 14.218 336 HB2 ALA 44 1HB ALA 44 -5.320 23.516 15.737 337 HB3 ALA 44 2HB ALA 44 -3.854 24.481 15.572 338 H ALA 45 H ALA 45 -1.511 22.660 14.254 339 HA ALA 45 HA ALA 45 -2.335 20.836 12.202 340 HB1 ALA 45 3HB ALA 45 0.257 21.323 11.619 341 HB2 ALA 45 1HB ALA 45 -1.074 22.394 11.180 342 HB3 ALA 45 2HB ALA 45 -0.117 22.722 12.625 343 H LYS 46 H LYS 46 -0.361 20.653 15.049 344 HA LYS 46 HA LYS 46 1.100 18.315 14.330 345 HB2 LYS 46 1HB LYS 46 1.610 20.053 16.177 346 HB3 LYS 46 2HB LYS 46 0.486 19.124 17.159 347 HG2 LYS 46 1HG LYS 46 2.385 17.375 15.905 348 HG3 LYS 46 2HG LYS 46 3.215 18.659 16.786 349 HD2 LYS 46 1HD LYS 46 1.707 18.121 18.741 350 HD3 LYS 46 2HD LYS 46 1.202 16.685 17.846 351 HE2 LYS 46 1HE LYS 46 2.904 15.807 19.098 352 HE3 LYS 46 2HE LYS 46 3.797 16.295 17.658 353 HZ1 LYS 46 3HZ LYS 46 4.829 17.972 18.752 354 HZ2 LYS 46 1HZ LYS 46 4.570 16.956 20.081 355 HZ3 LYS 46 2HZ LYS 46 3.533 18.263 19.800 356 H LYS 47 H LYS 47 -2.014 18.913 15.789 357 HA LYS 47 HA LYS 47 -2.456 16.326 16.843 358 HB2 LYS 47 1HB LYS 47 -3.860 18.769 16.721 359 HB3 LYS 47 2HB LYS 47 -4.908 17.564 15.983 360 HG2 LYS 47 1HG LYS 47 -5.528 17.459 18.195 361 HG3 LYS 47 2HG LYS 47 -4.346 16.153 18.083 362 HD2 LYS 47 1HD LYS 47 -2.806 18.365 18.679 363 HD3 LYS 47 2HD LYS 47 -4.269 18.616 19.634 364 HE2 LYS 47 1HE LYS 47 -3.893 16.791 20.943 365 HE3 LYS 47 2HE LYS 47 -3.079 15.901 19.656 366 HZ1 LYS 47 3HZ LYS 47 -1.327 17.840 20.047 367 HZ2 LYS 47 1HZ LYS 47 -1.287 16.388 20.914 368 HZ3 LYS 47 2HZ LYS 47 -1.983 17.765 21.605 369 H ALA 48 H ALA 48 -2.751 17.680 13.655 370 HA ALA 48 HA ALA 48 -4.416 15.639 12.564 371 HB1 ALA 48 3HB ALA 48 -3.703 16.567 10.375 372 HB2 ALA 48 1HB ALA 48 -4.329 17.784 11.489 373 HB3 ALA 48 2HB ALA 48 -2.590 17.632 11.233 374 H GLU 49 H GLU 49 -0.984 16.007 13.060 375 HA GLU 49 HA GLU 49 -0.196 13.911 11.279 376 HB2 GLU 49 1HB GLU 49 1.204 15.889 12.245 377 HB3 GLU 49 2HB GLU 49 1.460 14.813 13.612 378 HG2 GLU 49 1HG GLU 49 2.347 13.115 12.032 379 HG3 GLU 49 2HG GLU 49 2.221 14.313 10.745 380 H GLU 50 H GLU 50 -1.057 14.123 14.668 381 HA GLU 50 HA GLU 50 -0.174 11.461 15.297 382 HB2 GLU 50 1HB GLU 50 -1.890 13.439 16.803 383 HB3 GLU 50 2HB GLU 50 -1.429 11.867 17.441 384 HG2 GLU 50 1HG GLU 50 0.870 13.329 16.488 385 HG3 GLU 50 2HG GLU 50 -0.034 14.250 17.690 386 H LEU 51 H LEU 51 -3.105 12.954 14.176 387 HA LEU 51 HA LEU 51 -4.868 10.821 14.845 388 HG LEU 51 HG LEU 51 -7.546 13.085 13.881 389 HB2 LEU 51 1HB LEU 51 -5.097 13.398 13.792 390 HB3 LEU 51 2HB LEU 51 -5.712 12.328 12.535 391 HD11 LEU 51 1HD1 LEU 51 -8.419 10.932 14.708 392 HD12 LEU 51 2HD1 LEU 51 -6.815 10.228 14.509 393 HD13 LEU 51 3HD1 LEU 51 -7.705 10.807 13.100 394 HD21 LEU 51 3HD2 LEU 51 -7.426 13.448 16.073 395 HD22 LEU 51 1HD2 LEU 51 -5.708 13.063 15.966 396 HD23 LEU 51 2HD2 LEU 51 -6.869 11.802 16.382 397 H PHE 52 H PHE 52 -2.733 11.482 12.178 398 HA PHE 52 HA PHE 52 -3.795 9.872 10.189 399 HD1 PHE 52 HD1 PHE 52 -1.924 8.270 8.437 400 HD2 PHE 52 HD2 PHE 52 -1.798 12.522 8.560 401 HE1 PHE 52 HE1 PHE 52 -2.150 8.345 5.988 402 HE2 PHE 52 HE2 PHE 52 -2.026 12.604 6.111 403 HZ PHE 52 HZ PHE 52 -2.202 10.514 4.822 404 HB2 PHE 52 1HB PHE 52 -1.488 11.343 10.502 405 HB3 PHE 52 2HB PHE 52 -0.877 9.696 10.395 406 H LYS 53 H LYS 53 -1.980 8.994 13.050 407 HA LYS 53 HA LYS 53 -1.334 6.349 12.352 408 HB2 LYS 53 1HB LYS 53 -1.767 7.685 15.022 409 HB3 LYS 53 2HB LYS 53 -1.261 6.007 14.874 410 HG2 LYS 53 1HG LYS 53 0.468 7.485 13.234 411 HG3 LYS 53 2HG LYS 53 0.309 8.397 14.737 412 HD2 LYS 53 1HD LYS 53 0.768 6.234 15.956 413 HD3 LYS 53 2HD LYS 53 1.190 5.536 14.391 414 HE2 LYS 53 1HE LYS 53 3.245 6.213 15.231 415 HE3 LYS 53 2HE LYS 53 2.788 7.555 14.183 416 HZ1 LYS 53 3HZ LYS 53 1.719 8.174 16.629 417 HZ2 LYS 53 1HZ LYS 53 3.108 8.850 15.938 418 HZ3 LYS 53 2HZ LYS 53 3.243 7.537 16.995 419 H LEU 54 H LEU 54 -4.165 7.719 13.982 420 HA LEU 54 HA LEU 54 -5.425 5.162 14.331 421 HG LEU 54 HG LEU 54 -7.091 7.009 16.994 422 HB2 LEU 54 1HB LEU 54 -5.960 7.937 15.045 423 HB3 LEU 54 2HB LEU 54 -7.412 7.049 14.586 424 HD11 LEU 54 1HD1 LEU 54 -7.873 4.924 17.129 425 HD12 LEU 54 2HD1 LEU 54 -6.393 4.229 16.471 426 HD13 LEU 54 3HD1 LEU 54 -7.633 4.854 15.384 427 HD21 LEU 54 3HD2 LEU 54 -4.648 7.255 17.010 428 HD22 LEU 54 1HD2 LEU 54 -4.485 5.604 16.410 429 HD23 LEU 54 2HD2 LEU 54 -5.181 5.898 18.004 430 H ALA 55 H ALA 55 -5.929 7.954 12.192 431 HA ALA 55 HA ALA 55 -8.149 7.076 10.798 432 HB1 ALA 55 3HB ALA 55 -7.756 8.793 9.366 433 HB2 ALA 55 1HB ALA 55 -6.645 9.270 10.650 434 HB3 ALA 55 2HB ALA 55 -6.036 8.429 9.224 435 H GLU 56 H GLU 56 -4.804 6.093 10.490 436 HA GLU 56 HA GLU 56 -5.169 4.686 8.019 437 HB2 GLU 56 1HB GLU 56 -2.982 5.640 9.040 438 HB3 GLU 56 2HB GLU 56 -2.943 4.143 9.961 439 HG2 GLU 56 1HG GLU 56 -1.730 3.441 8.204 440 HG3 GLU 56 2HG GLU 56 -3.323 3.130 7.518 441 H GLU 57 H GLU 57 -5.314 3.882 11.427 442 HA GLU 57 HA GLU 57 -5.416 1.046 11.007 443 HB2 GLU 57 1HB GLU 57 -5.000 2.712 13.194 444 HB3 GLU 57 2HB GLU 57 -6.559 1.966 13.520 445 HG2 GLU 57 1HG GLU 57 -5.506 -0.253 13.136 446 HG3 GLU 57 2HG GLU 57 -3.949 0.563 13.003 447 H ARG 58 H ARG 58 -7.709 3.640 11.094 448 HA ARG 58 HA ARG 58 -9.975 1.820 11.329 449 HE ARG 58 HE ARG 58 -9.624 5.684 14.995 450 HB2 ARG 58 1HB ARG 58 -10.095 4.799 10.888 451 HB3 ARG 58 2HB ARG 58 -11.341 3.751 11.552 452 HG2 ARG 58 1HG ARG 58 -9.216 3.387 13.270 453 HG3 ARG 58 2HG ARG 58 -9.147 5.106 12.876 454 HD2 ARG 58 1HD ARG 58 -11.719 5.010 13.327 455 HD3 ARG 58 2HD ARG 58 -11.310 3.548 14.222 456 HH11 ARG 58 1HH1 ARG 58 -12.882 4.505 15.332 457 HH12 ARG 58 2HH1 ARG 58 -13.135 5.264 16.869 458 HH21 ARG 58 2HH2 ARG 58 -11.465 6.505 17.826 459 HH22 ARG 58 1HH2 ARG 58 -9.946 6.688 17.017 460 H LEU 59 H LEU 59 -8.376 3.867 8.965 461 HA LEU 59 HA LEU 59 -10.354 3.151 6.933 462 HG LEU 59 HG LEU 59 -9.590 5.992 8.295 463 HB2 LEU 59 1HB LEU 59 -7.995 5.016 6.735 464 HB3 LEU 59 2HB LEU 59 -9.272 4.811 5.536 465 HD11 LEU 59 1HD1 LEU 59 -10.311 7.951 6.670 466 HD12 LEU 59 2HD1 LEU 59 -9.190 7.130 5.584 467 HD13 LEU 59 3HD1 LEU 59 -8.631 7.710 7.152 468 HD21 LEU 59 3HD2 LEU 59 -11.806 6.554 6.670 469 HD22 LEU 59 1HD2 LEU 59 -11.750 5.523 8.100 470 HD23 LEU 59 2HD2 LEU 59 -11.500 4.824 6.499 471 H LYS 60 H LYS 60 -8.343 1.274 8.082 472 HA LYS 60 HA LYS 60 -6.290 0.778 6.220 473 HB2 LYS 60 1HB LYS 60 -7.175 -0.343 8.637 474 HB3 LYS 60 2HB LYS 60 -7.247 -1.650 7.463 475 HG2 LYS 60 1HG LYS 60 -4.790 0.004 7.512 476 HG3 LYS 60 2HG LYS 60 -5.059 -1.109 8.856 477 HD2 LYS 60 1HD LYS 60 -5.584 -2.805 6.913 478 HD3 LYS 60 2HD LYS 60 -4.602 -1.685 5.966 479 HE2 LYS 60 1HE LYS 60 -2.781 -1.925 7.590 480 HE3 LYS 60 2HE LYS 60 -3.763 -3.054 8.521 481 HZ1 LYS 60 3HZ LYS 60 -3.861 -4.308 6.258 482 HZ2 LYS 60 1HZ LYS 60 -2.510 -4.474 7.263 483 HZ3 LYS 60 2HZ LYS 60 -2.447 -3.440 5.926 484 H LYS 61 H LYS 61 -6.359 -0.004 4.225 485 HA LYS 61 HA LYS 61 -8.005 -2.131 3.388 486 HB2 LYS 61 1HB LYS 61 -9.767 -0.405 3.522 487 HB3 LYS 61 2HB LYS 61 -8.860 0.597 2.397 488 HG2 LYS 61 1HG LYS 61 -9.321 -2.072 1.361 489 HG3 LYS 61 2HG LYS 61 -10.821 -1.233 1.756 490 HD2 LYS 61 1HD LYS 61 -10.460 0.426 0.205 491 HD3 LYS 61 2HD LYS 61 -8.706 0.230 0.246 492 HE2 LYS 61 1HE LYS 61 -8.950 -0.874 -1.682 493 HE3 LYS 61 2HE LYS 61 -9.561 -2.201 -0.695 494 HZ1 LYS 61 3HZ LYS 61 -11.657 -1.863 -1.387 495 HZ2 LYS 61 1HZ LYS 61 -10.918 -1.104 -2.705 496 HZ3 LYS 61 2HZ LYS 61 -11.509 -0.178 -1.419 497 H LEU 62 H LEU 62 -6.500 -3.071 2.168 498 HA LEU 62 HA LEU 62 -5.587 -1.759 -0.229 499 HG LEU 62 HG LEU 62 -4.042 0.148 0.792 500 HB2 LEU 62 1HB LEU 62 -3.918 -1.892 2.128 501 HB3 LEU 62 2HB LEU 62 -3.186 -2.747 0.772 502 HD11 LEU 62 1HD1 LEU 62 -2.028 0.614 1.583 503 HD12 LEU 62 2HD1 LEU 62 -1.278 -0.272 0.256 504 HD13 LEU 62 3HD1 LEU 62 -1.700 -1.110 1.749 505 HD21 LEU 62 3HD2 LEU 62 -4.229 -0.247 -1.421 506 HD22 LEU 62 1HD2 LEU 62 -3.249 -1.711 -1.355 507 HD23 LEU 62 2HD2 LEU 62 -2.470 -0.129 -1.375 508 HA MET 1 HA MET 1 1.295 47.133 15.959 509 H1 MET 1 1H MET 1 -0.767 48.557 14.749 510 HB2 MET 1 1HB MET 1 0.424 49.376 16.663 511 HB3 MET 1 2HB MET 1 -0.948 48.557 17.397 512 HG2 MET 1 1HG MET 1 0.223 47.964 19.197 513 HG3 MET 1 2HG MET 1 1.624 47.483 18.242 514 HE1 MET 1 3HE MET 1 3.678 48.465 19.475 515 HE2 MET 1 1HE MET 1 3.524 49.881 20.517 516 HE3 MET 1 2HE MET 1 2.496 48.473 20.783 517 H LYS 2 H LYS 2 -2.214 46.825 16.488 518 HA LYS 2 HA LYS 2 -1.742 44.062 17.385 519 HB2 LYS 2 1HB LYS 2 -2.880 46.253 18.888 520 HB3 LYS 2 2HB LYS 2 -4.053 44.956 18.706 521 HG2 LYS 2 1HG LYS 2 -3.044 44.226 20.590 522 HG3 LYS 2 2HG LYS 2 -1.946 43.493 19.418 523 HD2 LYS 2 1HD LYS 2 -0.237 44.728 20.139 524 HD3 LYS 2 2HD LYS 2 -1.181 46.216 20.013 525 HE2 LYS 2 1HE LYS 2 -2.260 45.571 22.200 526 HE3 LYS 2 2HE LYS 2 -1.051 44.295 22.329 527 HZ1 LYS 2 3HZ LYS 2 0.219 45.821 23.298 528 HZ2 LYS 2 1HZ LYS 2 -0.794 47.096 22.839 529 HZ3 LYS 2 2HZ LYS 2 0.398 46.538 21.777 530 H LYS 3 H LYS 3 -2.711 45.478 14.859 531 HA LYS 3 HA LYS 3 -5.456 44.615 14.609 532 HB2 LYS 3 1HB LYS 3 -3.548 45.633 12.495 533 HB3 LYS 3 2HB LYS 3 -5.287 45.437 12.311 534 HG2 LYS 3 1HG LYS 3 -4.199 47.196 14.465 535 HG3 LYS 3 2HG LYS 3 -4.302 47.780 12.803 536 HD2 LYS 3 1HD LYS 3 -6.605 47.724 12.787 537 HD3 LYS 3 2HD LYS 3 -6.689 46.484 14.039 538 HE2 LYS 3 1HE LYS 3 -5.835 48.201 15.658 539 HE3 LYS 3 2HE LYS 3 -6.029 49.404 14.384 540 HZ1 LYS 3 3HZ LYS 3 -8.342 47.731 14.946 541 HZ2 LYS 3 1HZ LYS 3 -8.261 49.380 14.575 542 HZ3 LYS 3 2HZ LYS 3 -7.923 48.848 16.144 543 H LEU 4 H LEU 4 -2.284 43.555 13.473 544 HA LEU 4 HA LEU 4 -3.095 41.543 11.723 545 HG LEU 4 HG LEU 4 -0.933 42.154 14.562 546 HB2 LEU 4 1HB LEU 4 -0.869 40.500 12.276 547 HB3 LEU 4 2HB LEU 4 -0.830 42.165 11.701 548 HD11 LEU 4 1HD1 LEU 4 1.489 40.726 13.527 549 HD12 LEU 4 2HD1 LEU 4 0.075 39.840 14.098 550 HD13 LEU 4 3HD1 LEU 4 0.939 40.921 15.192 551 HD21 LEU 4 3HD2 LEU 4 1.364 42.893 12.763 552 HD22 LEU 4 1HD2 LEU 4 0.966 43.552 14.351 553 HD23 LEU 4 2HD2 LEU 4 -0.068 43.905 12.966 554 H ARG 5 H ARG 5 -3.076 41.648 15.186 555 HA ARG 5 HA ARG 5 -3.103 38.884 15.728 556 HE ARG 5 HE ARG 5 0.044 39.430 18.498 557 HB2 ARG 5 1HB ARG 5 -3.779 41.361 17.200 558 HB3 ARG 5 2HB ARG 5 -4.529 39.884 17.791 559 HG2 ARG 5 1HG ARG 5 -2.543 40.143 19.019 560 HG3 ARG 5 2HG ARG 5 -2.215 38.876 17.836 561 HD2 ARG 5 1HD ARG 5 -1.168 40.593 16.375 562 HD3 ARG 5 2HD ARG 5 -1.393 41.771 17.666 563 HH11 ARG 5 1HH1 ARG 5 0.313 42.559 16.995 564 HH12 ARG 5 2HH1 ARG 5 1.983 42.759 17.410 565 HH21 ARG 5 2HH2 ARG 5 3.080 41.123 18.578 566 HH22 ARG 5 1HH2 ARG 5 2.242 39.683 19.051 567 H GLU 6 H GLU 6 -5.814 41.201 15.585 568 HA GLU 6 HA GLU 6 -7.801 39.166 15.724 569 HB2 GLU 6 1HB GLU 6 -7.716 42.062 15.603 570 HB3 GLU 6 2HB GLU 6 -8.988 41.419 14.573 571 HG2 GLU 6 1HG GLU 6 -9.346 39.963 16.838 572 HG3 GLU 6 2HG GLU 6 -8.784 41.501 17.490 573 H GLU 7 H GLU 7 -6.119 40.780 13.124 574 HA GLU 7 HA GLU 7 -7.874 39.997 11.033 575 HB2 GLU 7 1HB GLU 7 -5.240 41.276 11.265 576 HB3 GLU 7 2HB GLU 7 -5.442 40.308 9.811 577 HG2 GLU 7 1HG GLU 7 -7.761 41.682 9.804 578 HG3 GLU 7 2HG GLU 7 -6.694 42.851 10.583 579 H ALA 8 H ALA 8 -5.180 38.475 12.646 580 HA ALA 8 HA ALA 8 -4.799 36.410 10.701 581 HB1 ALA 8 3HB ALA 8 -3.946 36.348 13.587 582 HB2 ALA 8 1HB ALA 8 -3.251 35.460 12.231 583 HB3 ALA 8 2HB ALA 8 -3.061 37.211 12.329 584 H ALA 9 H ALA 9 -6.821 36.846 13.503 585 HA ALA 9 HA ALA 9 -7.461 34.247 14.184 586 HB1 ALA 9 3HB ALA 9 -9.516 35.113 15.100 587 HB2 ALA 9 1HB ALA 9 -8.213 36.264 15.399 588 HB3 ALA 9 2HB ALA 9 -9.383 36.570 14.115 589 H LYS 10 H LYS 10 -8.427 36.095 11.396 590 HA LYS 10 HA LYS 10 -10.675 34.650 10.583 591 HB2 LYS 10 1HB LYS 10 -10.405 35.656 8.463 592 HB3 LYS 10 2HB LYS 10 -9.774 36.824 9.618 593 HG2 LYS 10 1HG LYS 10 -7.481 35.838 9.117 594 HG3 LYS 10 2HG LYS 10 -8.253 35.049 7.739 595 HD2 LYS 10 1HD LYS 10 -8.561 37.996 8.175 596 HD3 LYS 10 2HD LYS 10 -7.111 37.351 7.401 597 HE2 LYS 10 1HE LYS 10 -8.198 36.865 5.496 598 HE3 LYS 10 2HE LYS 10 -9.628 36.282 6.346 599 HZ1 LYS 10 3HZ LYS 10 -10.400 38.163 5.299 600 HZ2 LYS 10 1HZ LYS 10 -8.959 39.024 5.513 601 HZ3 LYS 10 2HZ LYS 10 -10.000 38.778 6.824 602 H LEU 11 H LEU 11 -7.262 33.949 10.288 603 HA LEU 11 HA LEU 11 -7.562 31.823 8.402 604 HG LEU 11 HG LEU 11 -4.002 32.438 7.969 605 HB2 LEU 11 1HB LEU 11 -5.414 33.139 9.817 606 HB3 LEU 11 2HB LEU 11 -5.200 31.390 9.816 607 HD11 LEU 11 1HD1 LEU 11 -4.384 30.604 6.784 608 HD12 LEU 11 2HD1 LEU 11 -5.978 31.188 6.308 609 HD13 LEU 11 3HD1 LEU 11 -5.783 30.280 7.808 610 HD21 LEU 11 3HD2 LEU 11 -5.440 34.391 7.668 611 HD22 LEU 11 1HD2 LEU 11 -6.725 33.355 7.046 612 HD23 LEU 11 2HD2 LEU 11 -5.216 33.521 6.150 613 H PHE 12 H PHE 12 -7.554 32.077 11.892 614 HA PHE 12 HA PHE 12 -7.199 29.374 12.536 615 HD1 PHE 12 HD1 PHE 12 -5.651 31.757 13.202 616 HD2 PHE 12 HD2 PHE 12 -7.468 29.553 16.358 617 HE1 PHE 12 HE1 PHE 12 -3.490 31.663 14.376 618 HE2 PHE 12 HE2 PHE 12 -5.311 29.456 17.537 619 HZ PHE 12 HZ PHE 12 -3.318 30.513 16.547 620 HB2 PHE 12 1HB PHE 12 -8.317 31.756 13.914 621 HB3 PHE 12 2HB PHE 12 -8.748 30.182 14.573 622 H GLU 13 H GLU 13 -10.133 31.231 11.843 623 HA GLU 13 HA GLU 13 -11.896 29.027 12.302 624 HB2 GLU 13 1HB GLU 13 -12.133 31.830 11.439 625 HB3 GLU 13 2HB GLU 13 -13.336 30.751 10.746 626 HG2 GLU 13 1HG GLU 13 -14.312 31.603 12.693 627 HG3 GLU 13 2HG GLU 13 -13.795 29.971 13.111 628 H GLU 14 H GLU 14 -10.188 30.323 9.545 629 HA GLU 14 HA GLU 14 -11.603 29.177 7.451 630 HB2 GLU 14 1HB GLU 14 -9.439 30.724 7.550 631 HB3 GLU 14 2HB GLU 14 -8.628 29.184 7.306 632 HG2 GLU 14 1HG GLU 14 -8.886 29.884 5.150 633 HG3 GLU 14 2HG GLU 14 -10.345 28.917 5.360 634 H TRP 15 H TRP 15 -9.549 27.701 9.808 635 HA TRP 15 HA TRP 15 -8.798 25.366 8.468 636 HD1 TRP 15 HD1 TRP 15 -6.853 26.483 8.696 637 HE1 TRP 15 HE1 TRP 15 -4.900 27.791 9.745 638 HE3 TRP 15 HE3 TRP 15 -8.138 26.045 13.625 639 HZ2 TRP 15 HZ2 TRP 15 -4.021 28.537 12.322 640 HZ3 TRP 15 HZ3 TRP 15 -6.687 27.084 15.319 641 HH2 TRP 15 HH2 TRP 15 -4.671 28.304 14.679 642 HB2 TRP 15 1HB TRP 15 -9.413 25.708 11.412 643 HB3 TRP 15 2HB TRP 15 -8.491 24.389 10.699 644 H LYS 16 H LYS 16 -11.728 26.139 10.290 645 HA LYS 16 HA LYS 16 -12.848 23.519 10.049 646 HB2 LYS 16 1HB LYS 16 -14.731 24.375 11.154 647 HB3 LYS 16 2HB LYS 16 -13.392 25.307 11.809 648 HG2 LYS 16 1HG LYS 16 -14.201 26.805 9.646 649 HG3 LYS 16 2HG LYS 16 -15.715 26.184 10.308 650 HD2 LYS 16 1HD LYS 16 -13.606 27.483 12.017 651 HD3 LYS 16 2HD LYS 16 -14.896 28.400 11.236 652 HE2 LYS 16 1HE LYS 16 -15.601 26.011 12.874 653 HE3 LYS 16 2HE LYS 16 -15.162 27.508 13.693 654 HZ1 LYS 16 3HZ LYS 16 -17.460 26.969 11.934 655 HZ2 LYS 16 1HZ LYS 16 -16.881 28.549 12.103 656 HZ3 LYS 16 2HZ LYS 16 -17.431 27.700 13.459 657 H LYS 17 H LYS 17 -12.652 26.250 7.997 658 HA LYS 17 HA LYS 17 -14.999 25.887 6.467 659 HB2 LYS 17 1HB LYS 17 -13.504 27.926 6.488 660 HB3 LYS 17 2HB LYS 17 -12.381 27.024 5.479 661 HG2 LYS 17 1HG LYS 17 -14.833 26.766 4.198 662 HG3 LYS 17 2HG LYS 17 -14.787 28.441 4.753 663 HD2 LYS 17 1HD LYS 17 -12.900 28.938 3.499 664 HD3 LYS 17 2HD LYS 17 -12.410 27.246 3.383 665 HE2 LYS 17 1HE LYS 17 -13.205 27.661 1.256 666 HE3 LYS 17 2HE LYS 17 -14.624 26.975 2.047 667 HZ1 LYS 17 3HZ LYS 17 -14.499 29.371 0.736 668 HZ2 LYS 17 1HZ LYS 17 -14.486 29.806 2.371 669 HZ3 LYS 17 2HZ LYS 17 -15.744 28.855 1.760 670 H LEU 18 H LEU 18 -11.654 24.788 5.950 671 HA LEU 18 HA LEU 18 -12.326 23.297 3.599 672 HG LEU 18 HG LEU 18 -10.405 23.279 2.233 673 HB2 LEU 18 1HB LEU 18 -9.935 23.937 5.129 674 HB3 LEU 18 2HB LEU 18 -9.930 22.284 4.522 675 HD11 LEU 18 1HD1 LEU 18 -10.552 25.646 3.780 676 HD12 LEU 18 2HD1 LEU 18 -10.740 25.459 2.036 677 HD13 LEU 18 3HD1 LEU 18 -9.146 25.778 2.722 678 HD21 LEU 18 3HD2 LEU 18 -8.197 22.416 3.057 679 HD22 LEU 18 1HD2 LEU 18 -7.779 24.080 3.469 680 HD23 LEU 18 2HD2 LEU 18 -8.096 23.642 1.790 681 H ALA 19 H ALA 19 -12.021 22.600 7.016 682 HA ALA 19 HA ALA 19 -11.949 19.788 6.858 683 HB1 ALA 19 3HB ALA 19 -11.325 20.821 8.902 684 HB2 ALA 19 1HB ALA 19 -12.879 21.645 9.037 685 HB3 ALA 19 2HB ALA 19 -12.789 19.892 9.224 686 H GLU 20 H GLU 20 -14.639 22.079 7.095 687 HA GLU 20 HA GLU 20 -16.670 20.108 7.312 688 HB2 GLU 20 1HB GLU 20 -16.945 22.487 7.988 689 HB3 GLU 20 2HB GLU 20 -16.911 22.943 6.291 690 HG2 GLU 20 1HG GLU 20 -18.937 21.725 5.866 691 HG3 GLU 20 2HG GLU 20 -18.943 21.092 7.510 692 H GLU 21 H GLU 21 -15.195 21.799 4.595 693 HA GLU 21 HA GLU 21 -17.010 20.774 2.642 694 HB2 GLU 21 1HB GLU 21 -15.526 22.871 2.487 695 HB3 GLU 21 2HB GLU 21 -14.227 21.764 2.063 696 HG2 GLU 21 1HG GLU 21 -15.968 20.916 0.288 697 HG3 GLU 21 2HG GLU 21 -16.653 22.524 0.523 698 H ALA 22 H ALA 22 -13.991 19.706 4.029 699 HA ALA 22 HA ALA 22 -13.471 17.695 2.051 700 HB1 ALA 22 3HB ALA 22 -12.219 18.616 4.548 701 HB2 ALA 22 1HB ALA 22 -11.994 16.907 4.172 702 HB3 ALA 22 2HB ALA 22 -11.488 18.139 3.015 703 H ALA 23 H ALA 23 -15.194 17.853 5.085 704 HA ALA 23 HA ALA 23 -15.352 15.196 5.812 705 HB1 ALA 23 3HB ALA 23 -17.536 15.775 6.839 706 HB2 ALA 23 1HB ALA 23 -16.251 16.921 7.220 707 HB3 ALA 23 2HB ALA 23 -17.469 17.333 6.012 708 H LYS 24 H LYS 24 -16.943 16.854 3.188 709 HA LYS 24 HA LYS 24 -19.024 15.106 2.621 710 HB2 LYS 24 1HB LYS 24 -19.078 16.055 0.446 711 HB3 LYS 24 2HB LYS 24 -18.533 17.334 1.523 712 HG2 LYS 24 1HG LYS 24 -17.007 17.620 -0.114 713 HG3 LYS 24 2HG LYS 24 -16.156 16.369 0.795 714 HD2 LYS 24 1HD LYS 24 -16.429 14.834 -0.829 715 HD3 LYS 24 2HD LYS 24 -18.076 15.360 -1.186 716 HE2 LYS 24 1HE LYS 24 -16.850 17.453 -2.185 717 HE3 LYS 24 2HE LYS 24 -15.481 16.346 -2.279 718 HZ1 LYS 24 3HZ LYS 24 -16.348 15.565 -4.146 719 HZ2 LYS 24 1HZ LYS 24 -17.728 16.529 -3.977 720 HZ3 LYS 24 2HZ LYS 24 -17.683 14.989 -3.280 721 H LEU 25 H LEU 25 -15.600 14.811 1.980 722 HA LEU 25 HA LEU 25 -15.845 12.592 0.188 723 HG LEU 25 HG LEU 25 -14.324 13.912 -1.170 724 HB2 LEU 25 1HB LEU 25 -13.723 14.215 1.313 725 HB3 LEU 25 2HB LEU 25 -13.293 12.506 1.274 726 HD11 LEU 25 1HD1 LEU 25 -11.660 13.823 -1.585 727 HD12 LEU 25 2HD1 LEU 25 -11.704 14.195 0.138 728 HD13 LEU 25 3HD1 LEU 25 -12.523 15.250 -1.013 729 HD21 LEU 25 3HD2 LEU 25 -13.445 12.110 -2.344 730 HD22 LEU 25 1HD2 LEU 25 -14.108 11.357 -0.893 731 HD23 LEU 25 2HD2 LEU 25 -12.372 11.644 -1.022 732 H LEU 26 H LEU 26 -15.501 13.000 3.640 733 HA LEU 26 HA LEU 26 -14.903 10.228 4.140 734 HG LEU 26 HG LEU 26 -12.997 11.835 5.331 735 HB2 LEU 26 1HB LEU 26 -15.261 12.680 5.742 736 HB3 LEU 26 2HB LEU 26 -15.679 11.168 6.545 737 HD11 LEU 26 1HD1 LEU 26 -12.187 12.114 7.526 738 HD12 LEU 26 2HD1 LEU 26 -13.674 11.487 8.238 739 HD13 LEU 26 3HD1 LEU 26 -13.674 13.059 7.439 740 HD21 LEU 26 3HD2 LEU 26 -12.656 9.703 7.005 741 HD22 LEU 26 1HD2 LEU 26 -12.795 9.608 5.249 742 HD23 LEU 26 2HD2 LEU 26 -14.216 9.345 6.261 743 H GLU 27 H GLU 27 -17.743 12.245 3.989 744 HA GLU 27 HA GLU 27 -19.438 10.178 5.139 745 HB2 GLU 27 1HB GLU 27 -21.195 11.771 5.090 746 HB3 GLU 27 2HB GLU 27 -19.757 12.647 5.593 747 HG2 GLU 27 1HG GLU 27 -20.396 14.129 4.051 748 HG3 GLU 27 2HG GLU 27 -19.654 13.003 2.915 749 H GLY 28 H GLY 28 -18.488 11.410 2.041 750 HA2 GLY 28 1HA GLY 28 -19.062 10.822 -0.105 751 HA3 GLY 28 2HA GLY 28 -19.350 9.228 0.579 752 H GLY 29 H GLY 29 -20.925 12.425 0.383 753 HA2 GLY 29 1HA GLY 29 -23.292 11.291 -0.760 754 HA3 GLY 29 2HA GLY 29 -23.515 11.702 0.934 755 H GLY 30 H GLY 30 -21.367 13.562 -1.077 756 HA2 GLY 30 1HA GLY 30 -21.590 15.655 -2.039 757 HA3 GLY 30 2HA GLY 30 -23.328 15.534 -1.807 758 H GLY 31 H GLY 31 -23.933 15.590 0.657 759 HA2 GLY 31 1HA GLY 31 -22.243 17.178 2.338 760 HA3 GLY 31 2HA GLY 31 -23.530 18.130 1.611 761 H GLY 32 H GLY 32 -23.818 14.751 2.549 762 HA2 GLY 32 1HA GLY 32 -24.923 15.142 5.106 763 HA3 GLY 32 2HA GLY 32 -26.229 15.134 3.930 764 H GLY 33 H GLY 33 -24.964 13.239 6.117 765 HA2 GLY 33 1HA GLY 33 -25.923 10.838 4.944 766 HA3 GLY 33 2HA GLY 33 -24.166 10.863 4.917 767 H GLY 34 H GLY 34 -24.232 9.008 6.315 768 HA2 GLY 34 1HA GLY 34 -24.445 9.812 9.128 769 HA3 GLY 34 2HA GLY 34 -25.350 8.402 8.600 770 H GLY 35 H GLY 35 -22.209 9.694 9.334 771 HA2 GLY 35 1HA GLY 35 -21.192 6.978 9.617 772 HA3 GLY 35 2HA GLY 35 -20.354 7.999 8.457 773 H GLU 36 H GLU 36 -19.406 6.786 10.971 774 HA GLU 36 HA GLU 36 -19.164 8.763 12.975 775 HB2 GLU 36 1HB GLU 36 -18.775 6.482 13.567 776 HB3 GLU 36 2HB GLU 36 -17.524 6.312 12.343 777 HG2 GLU 36 1HG GLU 36 -16.118 7.898 13.582 778 HG3 GLU 36 2HG GLU 36 -17.363 8.005 14.826 779 H LEU 37 H LEU 37 -17.415 8.139 10.035 780 HA LEU 37 HA LEU 37 -15.035 9.506 10.574 781 HG LEU 37 HG LEU 37 -14.547 7.638 7.423 782 HB2 LEU 37 1HB LEU 37 -16.551 8.876 8.076 783 HB3 LEU 37 2HB LEU 37 -15.129 9.915 8.005 784 HD11 LEU 37 1HD1 LEU 37 -13.332 7.709 10.086 785 HD12 LEU 37 2HD1 LEU 37 -13.216 9.222 9.188 786 HD13 LEU 37 3HD1 LEU 37 -12.581 7.733 8.490 787 HD21 LEU 37 3HD2 LEU 37 -15.186 6.702 10.185 788 HD22 LEU 37 1HD2 LEU 37 -14.997 5.773 8.697 789 HD23 LEU 37 2HD2 LEU 37 -16.454 6.735 8.957 790 H MET 38 H MET 38 -18.220 10.660 9.759 791 HA MET 38 HA MET 38 -17.474 13.289 8.993 792 HB2 MET 38 1HB MET 38 -19.625 12.461 8.334 793 HB3 MET 38 2HB MET 38 -20.075 12.136 10.002 794 HG2 MET 38 1HG MET 38 -20.222 14.458 10.496 795 HG3 MET 38 2HG MET 38 -19.513 14.891 8.942 796 HE1 MET 38 3HE MET 38 -21.531 13.667 6.436 797 HE2 MET 38 1HE MET 38 -22.045 15.343 6.621 798 HE3 MET 38 2HE MET 38 -20.368 14.896 6.933 799 H LYS 39 H LYS 39 -18.547 11.868 12.058 800 HA LYS 39 HA LYS 39 -18.379 14.356 13.479 801 HB2 LYS 39 1HB LYS 39 -18.864 13.030 15.463 802 HB3 LYS 39 2HB LYS 39 -19.949 12.582 14.153 803 HG2 LYS 39 1HG LYS 39 -18.769 10.562 13.753 804 HG3 LYS 39 2HG LYS 39 -17.450 11.048 14.821 805 HD2 LYS 39 1HD LYS 39 -19.699 11.213 16.425 806 HD3 LYS 39 2HD LYS 39 -19.983 9.769 15.450 807 HE2 LYS 39 1HE LYS 39 -17.309 9.604 16.201 808 HE3 LYS 39 2HE LYS 39 -18.137 10.195 17.640 809 HZ1 LYS 39 3HZ LYS 39 -18.010 7.734 17.459 810 HZ2 LYS 39 1HZ LYS 39 -19.014 7.815 16.099 811 HZ3 LYS 39 2HZ LYS 39 -19.588 8.327 17.606 812 H LEU 40 H LEU 40 -16.255 11.669 12.842 813 HA LEU 40 HA LEU 40 -14.360 12.236 14.889 814 HG LEU 40 HG LEU 40 -13.424 8.824 14.047 815 HB2 LEU 40 1HB LEU 40 -14.665 10.356 12.719 816 HB3 LEU 40 2HB LEU 40 -13.009 10.952 12.815 817 HD11 LEU 40 1HD1 LEU 40 -12.644 11.080 15.878 818 HD12 LEU 40 2HD1 LEU 40 -11.603 10.468 14.594 819 HD13 LEU 40 3HD1 LEU 40 -12.087 9.407 15.917 820 HD21 LEU 40 3HD2 LEU 40 -14.859 10.473 16.098 821 HD22 LEU 40 1HD2 LEU 40 -14.760 8.718 15.951 822 HD23 LEU 40 2HD2 LEU 40 -15.739 9.644 14.813 823 H CYS 41 H CYS 41 -14.787 13.283 11.571 824 HA CYS 41 HA CYS 41 -12.227 14.531 11.341 825 HG CYS 41 HG CYS 41 -13.421 17.255 9.366 826 HB2 CYS 41 1HB CYS 41 -13.377 13.834 9.335 827 HB3 CYS 41 2HB CYS 41 -14.767 14.836 9.732 828 H GLU 42 H GLU 42 -15.507 15.698 12.018 829 HA GLU 42 HA GLU 42 -15.008 18.422 12.093 830 HB2 GLU 42 1HB GLU 42 -17.249 17.277 12.272 831 HB3 GLU 42 2HB GLU 42 -16.878 16.965 13.962 832 HG2 GLU 42 1HG GLU 42 -16.806 19.312 14.441 833 HG3 GLU 42 2HG GLU 42 -16.980 19.708 12.733 834 H GLU 43 H GLU 43 -14.231 15.948 14.420 835 HA GLU 43 HA GLU 43 -13.857 17.409 16.732 836 HB2 GLU 43 1HB GLU 43 -13.188 14.831 15.812 837 HB3 GLU 43 2HB GLU 43 -11.695 15.532 16.418 838 HG2 GLU 43 1HG GLU 43 -13.822 16.076 18.251 839 HG3 GLU 43 2HG GLU 43 -13.772 14.352 17.886 840 H ALA 44 H ALA 44 -11.786 17.169 13.906 841 HA ALA 44 HA ALA 44 -9.476 18.357 14.959 842 HB1 ALA 44 3HB ALA 44 -10.010 17.208 12.628 843 HB2 ALA 44 1HB ALA 44 -10.188 18.891 12.129 844 HB3 ALA 44 2HB ALA 44 -8.668 18.335 12.832 845 H ALA 45 H ALA 45 -12.206 19.819 13.203 846 HA ALA 45 HA ALA 45 -11.215 22.481 13.459 847 HB1 ALA 45 3HB ALA 45 -12.825 22.958 11.999 848 HB2 ALA 45 1HB ALA 45 -13.207 21.236 11.985 849 HB3 ALA 45 2HB ALA 45 -14.077 22.325 13.066 850 H LYS 46 H LYS 46 -13.116 20.391 15.457 851 HA LYS 46 HA LYS 46 -14.489 22.264 17.017 852 HB2 LYS 46 1HB LYS 46 -14.320 19.536 16.960 853 HB3 LYS 46 2HB LYS 46 -13.483 19.906 18.462 854 HG2 LYS 46 1HG LYS 46 -15.583 21.418 18.893 855 HG3 LYS 46 2HG LYS 46 -16.333 20.327 17.725 856 HD2 LYS 46 1HD LYS 46 -15.326 18.450 19.199 857 HD3 LYS 46 2HD LYS 46 -15.186 19.713 20.424 858 HE2 LYS 46 1HE LYS 46 -17.784 19.385 19.010 859 HE3 LYS 46 2HE LYS 46 -17.342 18.197 20.235 860 HZ1 LYS 46 3HZ LYS 46 -18.660 20.115 21.072 861 HZ2 LYS 46 1HZ LYS 46 -17.347 21.123 20.719 862 HZ3 LYS 46 2HZ LYS 46 -17.183 19.893 21.868 863 H LYS 47 H LYS 47 -11.337 20.715 17.610 864 HA LYS 47 HA LYS 47 -10.684 21.939 19.995 865 HB2 LYS 47 1HB LYS 47 -8.779 21.304 17.734 866 HB3 LYS 47 2HB LYS 47 -8.347 21.515 19.425 867 HG2 LYS 47 1HG LYS 47 -10.312 19.550 19.445 868 HG3 LYS 47 2HG LYS 47 -9.305 19.171 18.046 869 HD2 LYS 47 1HD LYS 47 -7.315 19.498 19.626 870 HD3 LYS 47 2HD LYS 47 -8.500 19.407 20.932 871 HE2 LYS 47 1HE LYS 47 -9.229 17.236 19.574 872 HE3 LYS 47 2HE LYS 47 -7.541 17.301 19.073 873 HZ1 LYS 47 3HZ LYS 47 -8.349 17.431 21.918 874 HZ2 LYS 47 1HZ LYS 47 -6.817 17.107 21.281 875 HZ3 LYS 47 2HZ LYS 47 -8.053 15.964 21.132 876 H ALA 48 H ALA 48 -10.637 23.248 16.762 877 HA ALA 48 HA ALA 48 -9.061 25.547 17.354 878 HB1 ALA 48 3HB ALA 48 -9.519 24.520 15.064 879 HB2 ALA 48 1HB ALA 48 -11.064 25.368 15.124 880 HB3 ALA 48 2HB ALA 48 -9.554 26.279 15.181 881 H GLU 49 H GLU 49 -12.507 24.834 17.398 882 HA GLU 49 HA GLU 49 -13.346 27.530 17.791 883 HB2 GLU 49 1HB GLU 49 -14.612 25.161 17.183 884 HB3 GLU 49 2HB GLU 49 -15.135 25.461 18.834 885 HG2 GLU 49 1HG GLU 49 -15.959 27.654 18.197 886 HG3 GLU 49 2HG GLU 49 -15.393 27.400 16.546 887 H GLU 50 H GLU 50 -12.439 24.888 19.905 888 HA GLU 50 HA GLU 50 -13.363 26.177 22.301 889 HB2 GLU 50 1HB GLU 50 -11.650 23.753 21.781 890 HB3 GLU 50 2HB GLU 50 -11.971 24.343 23.406 891 HG2 GLU 50 1HG GLU 50 -14.430 24.146 22.843 892 HG3 GLU 50 2HG GLU 50 -13.926 23.252 21.411 893 H LEU 51 H LEU 51 -10.369 25.991 20.507 894 HA LEU 51 HA LEU 51 -8.698 27.050 22.557 895 HG LEU 51 HG LEU 51 -6.094 25.761 20.372 896 HB2 LEU 51 1HB LEU 51 -8.433 26.186 19.817 897 HB3 LEU 51 2HB LEU 51 -7.547 27.683 20.093 898 HD11 LEU 51 1HD1 LEU 51 -5.099 26.381 22.402 899 HD12 LEU 51 2HD1 LEU 51 -6.641 26.851 23.116 900 HD13 LEU 51 3HD1 LEU 51 -5.925 27.834 21.838 901 HD21 LEU 51 3HD2 LEU 51 -7.600 24.029 20.968 902 HD22 LEU 51 1HD2 LEU 51 -8.142 24.901 22.402 903 HD23 LEU 51 2HD2 LEU 51 -6.508 24.240 22.337 904 H PHE 52 H PHE 52 -10.764 28.436 20.129 905 HA PHE 52 HA PHE 52 -9.736 30.986 19.865 906 HD1 PHE 52 HD1 PHE 52 -13.339 32.844 19.044 907 HD2 PHE 52 HD2 PHE 52 -9.987 30.720 17.507 908 HE1 PHE 52 HE1 PHE 52 -13.113 34.508 17.245 909 HE2 PHE 52 HE2 PHE 52 -9.755 32.380 15.707 910 HZ PHE 52 HZ PHE 52 -11.319 34.278 15.574 911 HB2 PHE 52 1HB PHE 52 -12.025 29.699 19.039 912 HB3 PHE 52 2HB PHE 52 -12.655 30.944 20.111 913 H LYS 53 H LYS 53 -11.561 29.591 22.506 914 HA LYS 53 HA LYS 53 -12.294 31.917 23.865 915 HB2 LYS 53 1HB LYS 53 -12.494 29.182 24.314 916 HB3 LYS 53 2HB LYS 53 -11.506 29.754 25.653 917 HG2 LYS 53 1HG LYS 53 -13.993 31.242 24.988 918 HG3 LYS 53 2HG LYS 53 -14.127 29.687 25.810 919 HD2 LYS 53 1HD LYS 53 -12.652 30.488 27.583 920 HD3 LYS 53 2HD LYS 53 -12.482 32.036 26.753 921 HE2 LYS 53 1HE LYS 53 -14.375 32.791 27.643 922 HE3 LYS 53 2HE LYS 53 -15.261 31.368 27.100 923 HZ1 LYS 53 3HZ LYS 53 -15.415 30.817 29.229 924 HZ2 LYS 53 1HZ LYS 53 -14.323 32.018 29.707 925 HZ3 LYS 53 2HZ LYS 53 -13.752 30.502 29.219 926 H LEU 54 H LEU 54 -9.389 29.897 24.279 927 HA LEU 54 HA LEU 54 -8.198 31.698 26.156 928 HG LEU 54 HG LEU 54 -6.698 28.441 26.962 929 HB2 LEU 54 1HB LEU 54 -7.440 29.181 24.805 930 HB3 LEU 54 2HB LEU 54 -6.118 30.214 25.342 931 HD11 LEU 54 1HD1 LEU 54 -6.395 29.772 28.824 932 HD12 LEU 54 2HD1 LEU 54 -7.436 31.055 28.208 933 HD13 LEU 54 3HD1 LEU 54 -5.828 30.821 27.524 934 HD21 LEU 54 3HD2 LEU 54 -9.245 29.947 27.481 935 HD22 LEU 54 1HD2 LEU 54 -8.754 28.364 28.086 936 HD23 LEU 54 2HD2 LEU 54 -9.180 28.564 26.386 937 H ALA 55 H ALA 55 -7.788 31.038 22.707 938 HA ALA 55 HA ALA 55 -5.556 32.572 22.161 939 HB1 ALA 55 3HB ALA 55 -6.069 31.635 20.206 940 HB2 ALA 55 1HB ALA 55 -7.770 31.471 20.643 941 HB3 ALA 55 2HB ALA 55 -7.176 32.986 19.962 942 H GLU 56 H GLU 56 -8.813 33.593 22.863 943 HA GLU 56 HA GLU 56 -8.595 36.243 21.874 944 HB2 GLU 56 1HB GLU 56 -10.623 34.687 22.924 945 HB3 GLU 56 2HB GLU 56 -10.383 35.912 24.162 946 HG2 GLU 56 1HG GLU 56 -10.620 37.650 22.401 947 HG3 GLU 56 2HG GLU 56 -11.028 36.369 21.261 948 H GLU 57 H GLU 57 -8.106 34.806 25.078 949 HA GLU 57 HA GLU 57 -7.554 37.234 26.417 950 HB2 GLU 57 1HB GLU 57 -7.440 34.379 27.021 951 HB3 GLU 57 2HB GLU 57 -6.171 35.297 27.820 952 HG2 GLU 57 1HG GLU 57 -7.786 36.727 28.868 953 HG3 GLU 57 2HG GLU 57 -9.098 35.979 27.958 954 H ARG 58 H ARG 58 -5.652 35.166 24.402 955 HA ARG 58 HA ARG 58 -3.133 36.326 25.267 956 HE ARG 58 HE ARG 58 -3.074 31.335 26.126 957 HB2 ARG 58 1HB ARG 58 -3.617 34.441 22.958 958 HB3 ARG 58 2HB ARG 58 -2.085 34.784 23.750 959 HG2 ARG 58 1HG ARG 58 -2.767 33.652 25.731 960 HG3 ARG 58 2HG ARG 58 -4.421 33.495 25.136 961 HD2 ARG 58 1HD ARG 58 -3.787 31.926 23.494 962 HD3 ARG 58 2HD ARG 58 -2.075 32.297 23.690 963 HH11 ARG 58 1HH1 ARG 58 -2.387 30.228 22.898 964 HH12 ARG 58 2HH1 ARG 58 -2.070 28.595 23.385 965 HH21 ARG 58 2HH2 ARG 58 -2.226 28.005 25.594 966 HH22 ARG 58 1HH2 ARG 58 -2.660 29.190 26.779 967 H LEU 59 H LEU 59 -5.365 36.511 22.561 968 HA LEU 59 HA LEU 59 -3.612 38.391 21.169 969 HG LEU 59 HG LEU 59 -3.311 37.106 19.244 970 HB2 LEU 59 1HB LEU 59 -6.052 36.841 20.421 971 HB3 LEU 59 2HB LEU 59 -5.613 38.274 19.496 972 HD11 LEU 59 1HD1 LEU 59 -5.065 34.732 19.857 973 HD12 LEU 59 2HD1 LEU 59 -3.762 35.334 20.882 974 HD13 LEU 59 3HD1 LEU 59 -3.397 34.685 19.283 975 HD21 LEU 59 3HD2 LEU 59 -4.516 37.432 17.294 976 HD22 LEU 59 1HD2 LEU 59 -5.866 36.434 17.838 977 HD23 LEU 59 2HD2 LEU 59 -4.349 35.677 17.351 978 H LYS 60 H LYS 60 -5.089 38.983 23.703 979 HA LYS 60 HA LYS 60 -6.256 40.691 24.651 980 HB2 LYS 60 1HB LYS 60 -4.723 41.796 22.499 981 HB3 LYS 60 2HB LYS 60 -6.250 42.660 22.611 982 HG2 LYS 60 1HG LYS 60 -4.548 43.753 23.941 983 HG3 LYS 60 2HG LYS 60 -5.823 43.108 24.978 984 HD2 LYS 60 1HD LYS 60 -4.396 41.767 26.051 985 HD3 LYS 60 2HD LYS 60 -3.689 41.188 24.540 986 HE2 LYS 60 1HE LYS 60 -2.340 43.261 24.430 987 HE3 LYS 60 2HE LYS 60 -2.994 43.738 25.997 988 HZ1 LYS 60 3HZ LYS 60 -1.277 42.646 26.859 989 HZ2 LYS 60 1HZ LYS 60 -0.890 41.898 25.391 990 HZ3 LYS 60 2HZ LYS 60 -2.055 41.213 26.408 991 H LYS 61 H LYS 61 -8.034 42.501 23.975 992 HA LYS 61 HA LYS 61 -9.908 41.503 22.010 993 HB2 LYS 61 1HB LYS 61 -11.733 41.128 23.544 994 HB3 LYS 61 2HB LYS 61 -10.372 40.124 24.025 995 HG2 LYS 61 1HG LYS 61 -10.421 40.997 26.055 996 HG3 LYS 61 2HG LYS 61 -10.183 42.614 25.389 997 HD2 LYS 61 1HD LYS 61 -12.208 42.575 26.705 998 HD3 LYS 61 2HD LYS 61 -12.620 42.773 25.000 999 HE2 LYS 61 1HE LYS 61 -13.065 40.342 24.870 1000 HE3 LYS 61 2HE LYS 61 -12.749 40.218 26.600 1001 HZ1 LYS 61 3HZ LYS 61 -14.571 41.983 26.805 1002 HZ2 LYS 61 1HZ LYS 61 -15.042 40.395 26.463 1003 HZ3 LYS 61 2HZ LYS 61 -14.997 41.549 25.226 1004 H LEU 62 H LEU 62 -8.360 43.958 22.645 1005 HA LEU 62 HA LEU 62 -10.506 45.878 23.174 1006 HG LEU 62 HG LEU 62 -9.778 48.156 23.718 1007 HB2 LEU 62 1HB LEU 62 -7.980 45.808 24.112 1008 HB3 LEU 62 2HB LEU 62 -7.756 46.829 22.693 1009 HD11 LEU 62 1HD1 LEU 62 -9.825 46.281 25.563 1010 HD12 LEU 62 2HD1 LEU 62 -10.166 47.964 25.961 1011 HD13 LEU 62 3HD1 LEU 62 -8.573 47.286 26.294 1012 HD21 LEU 62 3HD2 LEU 62 -8.138 49.527 24.998 1013 HD22 LEU 62 1HD2 LEU 62 -7.627 49.143 23.355 1014 HD23 LEU 62 2HD2 LEU 62 -6.937 48.265 24.720 Start of MODEL 10 1 HA MET 1 HA MET 1 -8.222 -0.423 -3.889 2 H1 MET 1 1H MET 1 -8.563 -2.687 -3.286 3 HB2 MET 1 1HB MET 1 -10.391 -1.864 -5.112 4 HB3 MET 1 2HB MET 1 -10.746 -0.142 -5.115 5 HG2 MET 1 1HG MET 1 -8.655 0.318 -6.243 6 HG3 MET 1 2HG MET 1 -8.223 -1.389 -6.177 7 HE1 MET 1 3HE MET 1 -8.586 -2.780 -8.641 8 HE2 MET 1 1HE MET 1 -8.732 -1.491 -9.836 9 HE3 MET 1 2HE MET 1 -7.626 -1.310 -8.475 10 H LYS 2 H LYS 2 -8.606 1.711 -3.458 11 HA LYS 2 HA LYS 2 -10.931 2.351 -1.772 12 HB2 LYS 2 1HB LYS 2 -8.067 3.210 -1.335 13 HB3 LYS 2 2HB LYS 2 -9.442 3.909 -0.490 14 HG2 LYS 2 1HG LYS 2 -8.913 2.371 1.060 15 HG3 LYS 2 2HG LYS 2 -9.865 1.307 0.024 16 HD2 LYS 2 1HD LYS 2 -7.616 0.883 -1.191 17 HD3 LYS 2 2HD LYS 2 -6.889 1.534 0.279 18 HE2 LYS 2 1HE LYS 2 -7.193 -0.395 1.339 19 HE3 LYS 2 2HE LYS 2 -8.915 -0.376 0.960 20 HZ1 LYS 2 3HZ LYS 2 -7.077 -2.146 -0.001 21 HZ2 LYS 2 1HZ LYS 2 -7.313 -1.086 -1.299 22 HZ3 LYS 2 2HZ LYS 2 -8.632 -1.897 -0.618 23 H LYS 3 H LYS 3 -11.753 4.451 -1.965 24 HA LYS 3 HA LYS 3 -10.641 6.066 -4.160 25 HB2 LYS 3 1HB LYS 3 -13.575 5.525 -3.663 26 HB3 LYS 3 2HB LYS 3 -12.923 6.587 -4.905 27 HG2 LYS 3 1HG LYS 3 -12.769 4.882 -6.302 28 HG3 LYS 3 2HG LYS 3 -11.700 4.036 -5.180 29 HD2 LYS 3 1HD LYS 3 -14.064 3.578 -3.988 30 HD3 LYS 3 2HD LYS 3 -14.598 3.705 -5.666 31 HE2 LYS 3 1HE LYS 3 -12.253 2.118 -5.629 32 HE3 LYS 3 2HE LYS 3 -13.314 1.524 -4.352 33 HZ1 LYS 3 3HZ LYS 3 -13.507 0.832 -6.938 34 HZ2 LYS 3 1HZ LYS 3 -14.645 2.081 -6.854 35 HZ3 LYS 3 2HZ LYS 3 -14.781 0.742 -5.829 36 H LEU 4 H LEU 4 -12.843 6.046 -1.371 37 HA LEU 4 HA LEU 4 -12.423 8.926 -1.042 38 HG LEU 4 HG LEU 4 -13.843 6.059 0.725 39 HB2 LEU 4 1HB LEU 4 -14.311 8.929 0.391 40 HB3 LEU 4 2HB LEU 4 -14.730 7.968 -1.026 41 HD11 LEU 4 1HD1 LEU 4 -14.087 6.644 2.852 42 HD12 LEU 4 2HD1 LEU 4 -15.677 7.342 2.545 43 HD13 LEU 4 3HD1 LEU 4 -14.226 8.315 2.307 44 HD21 LEU 4 3HD2 LEU 4 -16.302 5.638 1.080 45 HD22 LEU 4 1HD2 LEU 4 -15.785 5.765 -0.601 46 HD23 LEU 4 2HD2 LEU 4 -16.605 7.121 0.173 47 H ARG 5 H ARG 5 -11.645 5.861 0.372 48 HA ARG 5 HA ARG 5 -10.928 6.797 2.957 49 HE ARG 5 HE ARG 5 -12.987 2.249 3.863 50 HB2 ARG 5 1HB ARG 5 -10.404 4.299 1.390 51 HB3 ARG 5 2HB ARG 5 -9.515 4.590 2.879 52 HG2 ARG 5 1HG ARG 5 -11.224 3.578 3.886 53 HG3 ARG 5 2HG ARG 5 -12.094 5.093 3.636 54 HD2 ARG 5 1HD ARG 5 -13.300 4.267 1.867 55 HD3 ARG 5 2HD ARG 5 -12.062 3.087 1.437 56 HH11 ARG 5 1HH1 ARG 5 -14.449 2.959 0.784 57 HH12 ARG 5 2HH1 ARG 5 -15.731 1.811 0.981 58 HH21 ARG 5 2HH2 ARG 5 -15.857 0.546 2.887 59 HH22 ARG 5 1HH2 ARG 5 -14.670 0.734 4.134 60 H GLU 6 H GLU 6 -8.937 5.869 0.145 61 HA GLU 6 HA GLU 6 -6.459 6.559 1.178 62 HB2 GLU 6 1HB GLU 6 -7.157 5.433 -1.090 63 HB3 GLU 6 2HB GLU 6 -7.070 7.078 -1.706 64 HG2 GLU 6 1HG GLU 6 -4.794 7.227 -1.377 65 HG3 GLU 6 2HG GLU 6 -4.782 5.955 -0.157 66 H GLU 7 H GLU 7 -8.860 8.581 -0.438 67 HA GLU 7 HA GLU 7 -7.222 10.912 -0.532 68 HB2 GLU 7 1HB GLU 7 -9.919 10.164 -1.298 69 HB3 GLU 7 2HB GLU 7 -9.881 11.761 -0.564 70 HG2 GLU 7 1HG GLU 7 -8.035 10.956 -2.789 71 HG3 GLU 7 2HG GLU 7 -9.626 11.662 -3.071 72 H ALA 8 H ALA 8 -9.432 9.547 1.804 73 HA ALA 8 HA ALA 8 -9.924 11.776 3.403 74 HB1 ALA 8 3HB ALA 8 -9.531 9.193 4.787 75 HB2 ALA 8 1HB ALA 8 -10.878 10.329 4.859 76 HB3 ALA 8 2HB ALA 8 -10.727 9.225 3.491 77 H ALA 9 H ALA 9 -7.314 9.368 3.657 78 HA ALA 9 HA ALA 9 -6.037 10.451 5.895 79 HB1 ALA 9 3HB ALA 9 -5.485 8.427 3.931 80 HB2 ALA 9 1HB ALA 9 -4.025 9.348 4.293 81 HB3 ALA 9 2HB ALA 9 -4.916 8.558 5.595 82 H LYS 10 H LYS 10 -5.810 11.267 2.486 83 HA LYS 10 HA LYS 10 -3.533 12.958 2.724 84 HB2 LYS 10 1HB LYS 10 -5.086 11.939 0.634 85 HB3 LYS 10 2HB LYS 10 -5.298 13.682 0.542 86 HG2 LYS 10 1HG LYS 10 -3.271 13.965 -0.310 87 HG3 LYS 10 2HG LYS 10 -2.527 12.984 0.955 88 HD2 LYS 10 1HD LYS 10 -2.594 11.077 -0.297 89 HD3 LYS 10 2HD LYS 10 -4.048 11.570 -1.168 90 HE2 LYS 10 1HE LYS 10 -2.596 13.311 -2.307 91 HE3 LYS 10 2HE LYS 10 -1.211 12.464 -1.621 92 HZ1 LYS 10 3HZ LYS 10 -1.387 10.830 -3.110 93 HZ2 LYS 10 1HZ LYS 10 -2.366 11.892 -3.992 94 HZ3 LYS 10 2HZ LYS 10 -3.071 10.738 -2.977 95 H LEU 11 H LEU 11 -7.000 13.450 2.974 96 HA LEU 11 HA LEU 11 -7.093 16.233 2.835 97 HG LEU 11 HG LEU 11 -9.365 15.800 1.823 98 HB2 LEU 11 1HB LEU 11 -8.845 14.107 3.554 99 HB3 LEU 11 2HB LEU 11 -8.964 15.365 4.782 100 HD11 LEU 11 1HD1 LEU 11 -11.331 14.798 2.184 101 HD12 LEU 11 2HD1 LEU 11 -11.758 16.275 3.047 102 HD13 LEU 11 3HD1 LEU 11 -11.159 14.876 3.938 103 HD21 LEU 11 3HD2 LEU 11 -8.766 17.873 2.606 104 HD22 LEU 11 1HD2 LEU 11 -9.403 17.569 4.223 105 HD23 LEU 11 2HD2 LEU 11 -10.507 17.905 2.889 106 H PHE 12 H PHE 12 -6.133 14.109 5.433 107 HA PHE 12 HA PHE 12 -6.291 15.894 7.583 108 HD1 PHE 12 HD1 PHE 12 -7.465 13.314 6.793 109 HD2 PHE 12 HD2 PHE 12 -5.120 13.436 10.343 110 HE1 PHE 12 HE1 PHE 12 -9.271 12.182 8.021 111 HE2 PHE 12 HE2 PHE 12 -6.922 12.303 11.576 112 HZ PHE 12 HZ PHE 12 -9.001 11.674 10.416 113 HB2 PHE 12 1HB PHE 12 -4.666 13.443 7.017 114 HB3 PHE 12 2HB PHE 12 -4.299 14.410 8.442 115 H GLU 13 H GLU 13 -4.001 15.622 4.989 116 HA GLU 13 HA GLU 13 -1.929 17.153 6.234 117 HB2 GLU 13 1HB GLU 13 -2.141 15.580 3.950 118 HB3 GLU 13 2HB GLU 13 -1.912 17.207 3.326 119 HG2 GLU 13 1HG GLU 13 0.227 17.277 3.954 120 HG3 GLU 13 2HG GLU 13 -0.108 16.530 5.516 121 H GLU 14 H GLU 14 -4.715 17.866 4.244 122 HA GLU 14 HA GLU 14 -4.096 20.419 3.355 123 HB2 GLU 14 1HB GLU 14 -6.331 18.775 3.311 124 HB3 GLU 14 2HB GLU 14 -6.870 20.185 4.212 125 HG2 GLU 14 1HG GLU 14 -7.390 20.582 1.947 126 HG3 GLU 14 2HG GLU 14 -6.002 21.598 2.332 127 H TRP 15 H TRP 15 -5.308 19.358 6.484 128 HA TRP 15 HA TRP 15 -5.885 21.911 7.535 129 HD1 TRP 15 HD1 TRP 15 -7.924 20.724 6.980 130 HE1 TRP 15 HE1 TRP 15 -9.675 18.842 6.843 131 HE3 TRP 15 HE3 TRP 15 -5.891 17.477 10.365 132 HZ2 TRP 15 HZ2 TRP 15 -10.134 16.316 8.016 133 HZ3 TRP 15 HZ3 TRP 15 -7.049 15.350 10.800 134 HH2 TRP 15 HH2 TRP 15 -9.126 14.784 9.650 135 HB2 TRP 15 1HB TRP 15 -5.003 19.515 9.145 136 HB3 TRP 15 2HB TRP 15 -6.037 20.843 9.664 137 H LYS 16 H LYS 16 -3.029 19.821 7.943 138 HA LYS 16 HA LYS 16 -1.541 21.659 9.473 139 HB2 LYS 16 1HB LYS 16 -0.903 19.354 9.491 140 HB3 LYS 16 2HB LYS 16 -0.703 19.332 7.743 141 HG2 LYS 16 1HG LYS 16 0.969 21.292 9.144 142 HG3 LYS 16 2HG LYS 16 1.316 19.604 9.526 143 HD2 LYS 16 1HD LYS 16 1.058 19.515 6.813 144 HD3 LYS 16 2HD LYS 16 1.768 21.113 7.051 145 HE2 LYS 16 1HE LYS 16 3.552 19.550 6.768 146 HE3 LYS 16 2HE LYS 16 3.524 20.039 8.462 147 HZ1 LYS 16 3HZ LYS 16 2.601 17.482 7.289 148 HZ2 LYS 16 1HZ LYS 16 2.172 17.965 8.853 149 HZ3 LYS 16 2HZ LYS 16 3.799 17.723 8.460 150 H LYS 17 H LYS 17 -1.925 21.217 6.020 151 HA LYS 17 HA LYS 17 0.233 22.655 5.047 152 HB2 LYS 17 1HB LYS 17 -1.966 21.456 3.940 153 HB3 LYS 17 2HB LYS 17 -2.291 23.156 3.626 154 HG2 LYS 17 1HG LYS 17 -1.147 22.256 1.742 155 HG3 LYS 17 2HG LYS 17 -0.035 23.331 2.592 156 HD2 LYS 17 1HD LYS 17 1.392 21.665 3.046 157 HD3 LYS 17 2HD LYS 17 0.093 20.571 3.529 158 HE2 LYS 17 1HE LYS 17 0.852 19.482 1.669 159 HE3 LYS 17 2HE LYS 17 -0.364 20.524 0.932 160 HZ1 LYS 17 3HZ LYS 17 2.482 21.314 1.141 161 HZ2 LYS 17 1HZ LYS 17 1.278 21.995 0.167 162 HZ3 LYS 17 2HZ LYS 17 1.878 20.454 -0.184 163 H LEU 18 H LEU 18 -3.009 23.883 5.866 164 HA LEU 18 HA LEU 18 -2.258 26.613 5.428 165 HG LEU 18 HG LEU 18 -5.877 26.675 4.852 166 HB2 LEU 18 1HB LEU 18 -4.669 25.145 6.269 167 HB3 LEU 18 2HB LEU 18 -4.521 26.785 6.899 168 HD11 LEU 18 1HD1 LEU 18 -5.190 28.750 4.498 169 HD12 LEU 18 2HD1 LEU 18 -3.758 28.154 3.659 170 HD13 LEU 18 3HD1 LEU 18 -3.715 28.411 5.403 171 HD21 LEU 18 3HD2 LEU 18 -4.862 24.820 3.720 172 HD22 LEU 18 1HD2 LEU 18 -3.319 25.668 3.615 173 HD23 LEU 18 2HD2 LEU 18 -4.709 26.249 2.698 174 H ALA 19 H ALA 19 -2.210 24.426 8.113 175 HA ALA 19 HA ALA 19 -2.181 26.290 10.226 176 HB1 ALA 19 3HB ALA 19 -1.657 24.521 11.609 177 HB2 ALA 19 1HB ALA 19 -2.423 23.698 10.250 178 HB3 ALA 19 2HB ALA 19 -0.665 23.722 10.390 179 H GLU 20 H GLU 20 0.441 24.804 8.352 180 HA GLU 20 HA GLU 20 2.579 25.937 9.775 181 HB2 GLU 20 1HB GLU 20 2.736 24.065 8.113 182 HB3 GLU 20 2HB GLU 20 2.541 25.254 6.833 183 HG2 GLU 20 1HG GLU 20 4.865 24.730 7.082 184 HG3 GLU 20 2HG GLU 20 4.584 26.387 7.612 185 H GLU 21 H GLU 21 0.884 27.057 6.860 186 HA GLU 21 HA GLU 21 2.430 29.371 6.453 187 HB2 GLU 21 1HB GLU 21 -0.179 28.350 5.501 188 HB3 GLU 21 2HB GLU 21 0.048 30.090 5.399 189 HG2 GLU 21 1HG GLU 21 2.118 29.720 4.120 190 HG3 GLU 21 2HG GLU 21 1.815 27.984 4.174 191 H ALA 22 H ALA 22 -0.279 28.697 8.546 192 HA ALA 22 HA ALA 22 -0.985 31.374 9.140 193 HB1 ALA 22 3HB ALA 22 -1.692 28.718 10.099 194 HB2 ALA 22 1HB ALA 22 -1.686 29.934 11.376 195 HB3 ALA 22 2HB ALA 22 -2.684 30.168 9.941 196 H ALA 23 H ALA 23 1.427 29.183 10.413 197 HA ALA 23 HA ALA 23 2.028 30.536 12.802 198 HB1 ALA 23 3HB ALA 23 3.653 28.717 11.046 199 HB2 ALA 23 1HB ALA 23 4.277 29.387 12.554 200 HB3 ALA 23 2HB ALA 23 2.855 28.343 12.574 201 H LYS 24 H LYS 24 2.945 31.123 9.489 202 HA LYS 24 HA LYS 24 5.121 32.875 10.042 203 HB2 LYS 24 1HB LYS 24 4.156 31.647 7.794 204 HB3 LYS 24 2HB LYS 24 3.663 33.314 7.526 205 HG2 LYS 24 1HG LYS 24 6.002 34.023 7.887 206 HG3 LYS 24 2HG LYS 24 6.461 32.325 8.033 207 HD2 LYS 24 1HD LYS 24 5.680 31.905 5.763 208 HD3 LYS 24 2HD LYS 24 5.163 33.586 5.616 209 HE2 LYS 24 1HE LYS 24 7.214 34.233 5.048 210 HE3 LYS 24 2HE LYS 24 7.912 33.439 6.459 211 HZ1 LYS 24 3HZ LYS 24 8.843 32.525 4.454 212 HZ2 LYS 24 1HZ LYS 24 7.306 32.164 3.846 213 HZ3 LYS 24 2HZ LYS 24 7.891 31.347 5.206 214 H LEU 25 H LEU 25 1.674 33.345 9.424 215 HA LEU 25 HA LEU 25 1.733 36.165 9.311 216 HG LEU 25 HG LEU 25 -1.738 35.845 8.296 217 HB2 LEU 25 1HB LEU 25 -0.208 34.108 9.170 218 HB3 LEU 25 2HB LEU 25 -0.743 35.258 10.393 219 HD11 LEU 25 1HD1 LEU 25 0.502 37.810 8.587 220 HD12 LEU 25 2HD1 LEU 25 -0.713 37.622 9.851 221 HD13 LEU 25 3HD1 LEU 25 -1.200 38.103 8.226 222 HD21 LEU 25 3HD2 LEU 25 1.017 36.122 7.117 223 HD22 LEU 25 1HD2 LEU 25 -0.537 36.233 6.290 224 HD23 LEU 25 2HD2 LEU 25 0.019 34.680 6.916 225 H LEU 26 H LEU 26 1.446 33.885 11.967 226 HA LEU 26 HA LEU 26 0.723 35.771 13.955 227 HG LEU 26 HG LEU 26 -0.767 33.507 14.126 228 HB2 LEU 26 1HB LEU 26 1.633 32.968 13.875 229 HB3 LEU 26 2HB LEU 26 1.961 33.838 15.373 230 HD11 LEU 26 1HD1 LEU 26 -0.345 32.249 16.692 231 HD12 LEU 26 2HD1 LEU 26 0.745 31.602 15.466 232 HD13 LEU 26 3HD1 LEU 26 -0.998 31.576 15.199 233 HD21 LEU 26 3HD2 LEU 26 0.257 34.888 16.571 234 HD22 LEU 26 1HD2 LEU 26 -1.365 34.197 16.560 235 HD23 LEU 26 2HD2 LEU 26 -0.928 35.436 15.384 236 H GLU 27 H GLU 27 3.802 34.598 12.726 237 HA GLU 27 HA GLU 27 5.243 36.274 14.647 238 HB2 GLU 27 1HB GLU 27 7.246 35.102 13.929 239 HB3 GLU 27 2HB GLU 27 5.996 33.945 14.364 240 HG2 GLU 27 1HG GLU 27 6.715 32.998 12.437 241 HG3 GLU 27 2HG GLU 27 5.479 34.068 11.778 242 H GLY 28 H GLY 28 3.704 37.053 12.075 243 HA2 GLY 28 1HA GLY 28 5.687 38.094 10.299 244 HA3 GLY 28 2HA GLY 28 3.974 38.488 10.292 245 H GLY 29 H GLY 29 3.283 39.923 12.194 246 HA2 GLY 29 1HA GLY 29 5.199 42.145 12.304 247 HA3 GLY 29 2HA GLY 29 3.468 42.264 12.581 248 H GLY 30 H GLY 30 5.099 39.645 14.097 249 HA2 GLY 30 1HA GLY 30 5.668 41.092 16.541 250 HA3 GLY 30 2HA GLY 30 4.279 40.020 16.635 251 H GLY 31 H GLY 31 7.700 40.257 16.665 252 HA2 GLY 31 1HA GLY 31 7.913 37.516 17.549 253 HA3 GLY 31 2HA GLY 31 8.680 37.821 15.998 254 H GLY 32 H GLY 32 8.604 38.954 19.364 255 HA2 GLY 32 1HA GLY 32 11.506 39.141 19.332 256 HA3 GLY 32 2HA GLY 32 10.653 40.657 19.577 257 H GLY 33 H GLY 33 9.689 37.477 20.779 258 HA2 GLY 33 1HA GLY 33 10.637 38.048 23.450 259 HA3 GLY 33 2HA GLY 33 8.892 38.159 23.271 260 H GLY 34 H GLY 34 7.953 36.396 24.051 261 HA2 GLY 34 1HA GLY 34 9.319 33.903 24.310 262 HA3 GLY 34 2HA GLY 34 7.621 34.198 24.654 263 H GLY 35 H GLY 35 6.963 35.180 22.021 264 HA2 GLY 35 1HA GLY 35 6.308 34.401 19.960 265 HA3 GLY 35 2HA GLY 35 7.689 33.315 20.018 266 H GLU 36 H GLU 36 5.082 33.372 22.377 267 HA GLU 36 HA GLU 36 4.680 30.598 22.282 268 HB2 GLU 36 1HB GLU 36 4.037 31.797 24.247 269 HB3 GLU 36 2HB GLU 36 2.952 32.836 23.333 270 HG2 GLU 36 1HG GLU 36 1.438 31.027 22.945 271 HG3 GLU 36 2HG GLU 36 2.566 29.871 23.650 272 H LEU 37 H LEU 37 3.215 33.226 20.505 273 HA LEU 37 HA LEU 37 0.931 31.970 19.528 274 HG LEU 37 HG LEU 37 0.714 35.549 18.626 275 HB2 LEU 37 1HB LEU 37 2.701 34.144 18.497 276 HB3 LEU 37 2HB LEU 37 1.403 33.519 17.481 277 HD11 LEU 37 1HD1 LEU 37 -1.351 34.748 18.778 278 HD12 LEU 37 2HD1 LEU 37 -0.939 33.773 20.188 279 HD13 LEU 37 3HD1 LEU 37 -0.667 33.136 18.566 280 HD21 LEU 37 3HD2 LEU 37 2.273 34.959 20.637 281 HD22 LEU 37 1HD2 LEU 37 0.830 34.163 21.266 282 HD23 LEU 37 2HD2 LEU 37 0.797 35.889 20.900 283 H MET 38 H MET 38 4.275 31.649 18.585 284 HA MET 38 HA MET 38 3.761 30.312 16.112 285 HB2 MET 38 1HB MET 38 6.298 30.134 17.729 286 HB3 MET 38 2HB MET 38 6.109 29.956 15.990 287 HG2 MET 38 1HG MET 38 5.282 32.405 16.077 288 HG3 MET 38 2HG MET 38 6.077 32.436 17.649 289 HE1 MET 38 3HE MET 38 9.431 32.984 17.262 290 HE2 MET 38 1HE MET 38 8.495 34.339 16.630 291 HE3 MET 38 2HE MET 38 7.857 33.369 17.958 292 H LYS 39 H LYS 39 4.184 29.327 19.437 293 HA LYS 39 HA LYS 39 4.501 26.537 18.846 294 HB2 LYS 39 1HB LYS 39 3.675 27.750 21.482 295 HB3 LYS 39 2HB LYS 39 4.449 26.194 21.212 296 HG2 LYS 39 1HG LYS 39 6.318 27.766 20.148 297 HG3 LYS 39 2HG LYS 39 5.617 28.908 21.297 298 HD2 LYS 39 1HD LYS 39 7.196 27.927 22.631 299 HD3 LYS 39 2HD LYS 39 5.831 26.850 22.938 300 HE2 LYS 39 1HE LYS 39 6.801 25.113 21.877 301 HE3 LYS 39 2HE LYS 39 7.502 26.136 20.624 302 HZ1 LYS 39 3HZ LYS 39 8.892 24.953 22.602 303 HZ2 LYS 39 1HZ LYS 39 8.664 26.504 23.236 304 HZ3 LYS 39 2HZ LYS 39 9.417 26.307 21.735 305 H LEU 40 H LEU 40 1.835 28.681 19.580 306 HA LEU 40 HA LEU 40 -0.126 26.819 20.252 307 HG LEU 40 HG LEU 40 -2.062 27.744 20.855 308 HB2 LEU 40 1HB LEU 40 -0.005 29.558 19.787 309 HB3 LEU 40 2HB LEU 40 -1.165 28.960 18.603 310 HD11 LEU 40 1HD1 LEU 40 -1.322 28.693 22.713 311 HD12 LEU 40 2HD1 LEU 40 -1.895 30.263 22.150 312 HD13 LEU 40 3HD1 LEU 40 -0.257 29.732 21.766 313 HD21 LEU 40 3HD2 LEU 40 -3.638 28.799 19.555 314 HD22 LEU 40 1HD2 LEU 40 -2.733 30.311 19.490 315 HD23 LEU 40 2HD2 LEU 40 -3.594 29.862 20.962 316 H CYS 41 H CYS 41 0.748 28.114 17.057 317 HA CYS 41 HA CYS 41 -1.145 26.557 15.630 318 HG CYS 41 HG CYS 41 -1.205 28.414 12.700 319 HB2 CYS 41 1HB CYS 41 1.129 28.325 14.957 320 HB3 CYS 41 2HB CYS 41 0.728 27.107 13.752 321 H GLU 42 H GLU 42 2.333 26.166 16.234 322 HA GLU 42 HA GLU 42 2.752 23.861 14.734 323 HB2 GLU 42 1HB GLU 42 4.565 25.192 15.727 324 HB3 GLU 42 2HB GLU 42 4.082 24.655 17.330 325 HG2 GLU 42 1HG GLU 42 4.431 22.292 15.985 326 HG3 GLU 42 2HG GLU 42 5.698 23.317 15.313 327 H GLU 43 H GLU 43 1.735 24.202 18.115 328 HA GLU 43 HA GLU 43 1.714 21.498 18.802 329 HB2 GLU 43 1HB GLU 43 0.143 23.864 19.791 330 HB3 GLU 43 2HB GLU 43 -0.126 22.255 20.447 331 HG2 GLU 43 1HG GLU 43 2.664 23.246 20.344 332 HG3 GLU 43 2HG GLU 43 1.577 23.964 21.532 333 H ALA 44 H ALA 44 -0.911 23.517 17.505 334 HA ALA 44 HA ALA 44 -2.935 21.622 17.472 335 HB1 ALA 44 3HB ALA 44 -2.395 24.153 16.094 336 HB2 ALA 44 1HB ALA 44 -3.488 23.065 15.237 337 HB3 ALA 44 2HB ALA 44 -3.863 23.577 16.883 338 H ALA 45 H ALA 45 -0.356 22.195 15.133 339 HA ALA 45 HA ALA 45 -1.334 20.339 13.199 340 HB1 ALA 45 3HB ALA 45 1.418 20.619 12.807 341 HB2 ALA 45 1HB ALA 45 0.124 21.496 11.989 342 HB3 ALA 45 2HB ALA 45 0.869 22.172 13.438 343 H LYS 46 H LYS 46 0.695 20.113 16.019 344 HA LYS 46 HA LYS 46 1.950 17.651 15.442 345 HB2 LYS 46 1HB LYS 46 2.259 19.480 17.388 346 HB3 LYS 46 2HB LYS 46 1.304 18.293 18.266 347 HG2 LYS 46 1HG LYS 46 3.140 17.121 18.635 348 HG3 LYS 46 2HG LYS 46 3.317 16.872 16.896 349 HD2 LYS 46 1HD LYS 46 4.833 18.584 16.669 350 HD3 LYS 46 2HD LYS 46 4.224 19.454 18.079 351 HE2 LYS 46 1HE LYS 46 5.415 16.802 18.594 352 HE3 LYS 46 2HE LYS 46 6.527 18.061 18.061 353 HZ1 LYS 46 3HZ LYS 46 6.510 18.246 20.363 354 HZ2 LYS 46 1HZ LYS 46 4.841 18.002 20.484 355 HZ3 LYS 46 2HZ LYS 46 5.440 19.462 19.875 356 H LYS 47 H LYS 47 -1.124 18.471 16.952 357 HA LYS 47 HA LYS 47 -1.810 15.961 17.962 358 HB2 LYS 47 1HB LYS 47 -3.096 18.478 17.549 359 HB3 LYS 47 2HB LYS 47 -4.166 17.209 16.971 360 HG2 LYS 47 1HG LYS 47 -4.827 17.007 19.082 361 HG3 LYS 47 2HG LYS 47 -3.274 16.220 19.378 362 HD2 LYS 47 1HD LYS 47 -2.541 18.809 19.561 363 HD3 LYS 47 2HD LYS 47 -4.211 18.918 20.122 364 HE2 LYS 47 1HE LYS 47 -3.808 17.336 21.859 365 HE3 LYS 47 2HE LYS 47 -2.220 16.935 21.207 366 HZ1 LYS 47 3HZ LYS 47 -3.067 19.341 22.674 367 HZ2 LYS 47 1HZ LYS 47 -1.758 19.431 21.606 368 HZ3 LYS 47 2HZ LYS 47 -1.708 18.363 22.916 369 H ALA 48 H ALA 48 -1.988 17.254 14.713 370 HA ALA 48 HA ALA 48 -3.689 15.342 13.564 371 HB1 ALA 48 3HB ALA 48 -2.416 17.577 12.666 372 HB2 ALA 48 1HB ALA 48 -1.540 16.300 11.823 373 HB3 ALA 48 2HB ALA 48 -3.290 16.433 11.648 374 H GLU 49 H GLU 49 -0.309 15.230 14.410 375 HA GLU 49 HA GLU 49 0.400 12.989 12.822 376 HB2 GLU 49 1HB GLU 49 1.673 14.707 14.722 377 HB3 GLU 49 2HB GLU 49 1.998 13.038 15.168 378 HG2 GLU 49 1HG GLU 49 3.467 12.807 13.530 379 HG3 GLU 49 2HG GLU 49 2.324 13.416 12.335 380 H GLU 50 H GLU 50 -1.012 13.357 16.006 381 HA GLU 50 HA GLU 50 -0.691 10.597 16.733 382 HB2 GLU 50 1HB GLU 50 -0.936 12.643 18.295 383 HB3 GLU 50 2HB GLU 50 -2.660 12.486 17.993 384 HG2 GLU 50 1HG GLU 50 -2.537 10.149 18.813 385 HG3 GLU 50 2HG GLU 50 -0.849 10.431 19.235 386 H LEU 51 H LEU 51 -3.151 12.542 15.192 387 HA LEU 51 HA LEU 51 -5.252 10.627 15.422 388 HG LEU 51 HG LEU 51 -7.320 13.476 14.521 389 HB2 LEU 51 1HB LEU 51 -4.897 13.265 14.367 390 HB3 LEU 51 2HB LEU 51 -5.709 12.258 13.170 391 HD11 LEU 51 1HD1 LEU 51 -7.202 10.500 14.916 392 HD12 LEU 51 2HD1 LEU 51 -8.135 11.415 13.733 393 HD13 LEU 51 3HD1 LEU 51 -8.577 11.473 15.439 394 HD21 LEU 51 3HD2 LEU 51 -7.095 13.784 16.708 395 HD22 LEU 51 1HD2 LEU 51 -5.544 12.949 16.613 396 HD23 LEU 51 2HD2 LEU 51 -7.008 12.045 16.999 397 H PHE 52 H PHE 52 -2.773 11.319 13.030 398 HA PHE 52 HA PHE 52 -3.749 9.787 10.909 399 HD1 PHE 52 HD1 PHE 52 -2.731 8.785 9.013 400 HD2 PHE 52 HD2 PHE 52 -1.010 12.616 9.710 401 HE1 PHE 52 HE1 PHE 52 -3.016 9.343 6.633 402 HE2 PHE 52 HE2 PHE 52 -1.294 13.180 7.332 403 HZ PHE 52 HZ PHE 52 -2.299 11.543 5.790 404 HB2 PHE 52 1HB PHE 52 -1.392 11.221 11.495 405 HB3 PHE 52 2HB PHE 52 -0.881 9.596 11.052 406 H LYS 53 H LYS 53 -2.016 8.864 13.807 407 HA LYS 53 HA LYS 53 -1.287 6.255 13.031 408 HB2 LYS 53 1HB LYS 53 -1.540 7.730 15.597 409 HB3 LYS 53 2HB LYS 53 -1.532 5.974 15.689 410 HG2 LYS 53 1HG LYS 53 0.573 7.289 14.062 411 HG3 LYS 53 2HG LYS 53 0.689 7.391 15.821 412 HD2 LYS 53 1HD LYS 53 1.101 5.169 16.057 413 HD3 LYS 53 2HD LYS 53 0.096 4.726 14.675 414 HE2 LYS 53 1HE LYS 53 2.241 6.210 13.638 415 HE3 LYS 53 2HE LYS 53 2.941 5.103 14.817 416 HZ1 LYS 53 3HZ LYS 53 1.473 3.368 13.625 417 HZ2 LYS 53 1HZ LYS 53 2.922 3.854 12.900 418 HZ3 LYS 53 2HZ LYS 53 1.451 4.485 12.355 419 H LEU 54 H LEU 54 -4.191 7.548 14.574 420 HA LEU 54 HA LEU 54 -5.399 4.969 14.921 421 HG LEU 54 HG LEU 54 -6.222 5.412 17.127 422 HB2 LEU 54 1HB LEU 54 -6.264 7.799 15.293 423 HB3 LEU 54 2HB LEU 54 -7.484 6.528 15.241 424 HD11 LEU 54 1HD1 LEU 54 -4.727 8.001 16.953 425 HD12 LEU 54 2HD1 LEU 54 -4.100 6.360 17.110 426 HD13 LEU 54 3HD1 LEU 54 -4.884 7.139 18.484 427 HD21 LEU 54 3HD2 LEU 54 -6.968 7.855 18.423 428 HD22 LEU 54 1HD2 LEU 54 -7.812 6.307 18.388 429 HD23 LEU 54 2HD2 LEU 54 -8.105 7.499 17.122 430 H ALA 55 H ALA 55 -5.910 7.704 12.709 431 HA ALA 55 HA ALA 55 -8.025 6.667 11.237 432 HB1 ALA 55 3HB ALA 55 -6.147 8.829 10.976 433 HB2 ALA 55 1HB ALA 55 -6.447 8.077 9.409 434 HB3 ALA 55 2HB ALA 55 -7.796 8.695 10.363 435 H GLU 56 H GLU 56 -4.646 5.858 11.171 436 HA GLU 56 HA GLU 56 -4.710 4.526 8.633 437 HB2 GLU 56 1HB GLU 56 -2.630 5.466 9.551 438 HB3 GLU 56 2HB GLU 56 -2.705 4.325 10.887 439 HG2 GLU 56 1HG GLU 56 -2.088 2.545 9.590 440 HG3 GLU 56 2HG GLU 56 -2.711 3.269 8.108 441 H GLU 57 H GLU 57 -5.137 3.592 11.987 442 HA GLU 57 HA GLU 57 -5.114 0.771 11.449 443 HB2 GLU 57 1HB GLU 57 -5.876 2.416 13.856 444 HB3 GLU 57 2HB GLU 57 -6.066 0.669 13.820 445 HG2 GLU 57 1HG GLU 57 -3.764 0.301 13.699 446 HG3 GLU 57 2HG GLU 57 -3.434 1.965 13.218 447 H ARG 58 H ARG 58 -7.481 3.300 11.471 448 HA ARG 58 HA ARG 58 -9.727 1.466 11.541 449 HE ARG 58 HE ARG 58 -12.756 3.154 13.239 450 HB2 ARG 58 1HB ARG 58 -9.740 4.440 11.005 451 HB3 ARG 58 2HB ARG 58 -11.118 3.438 11.443 452 HG2 ARG 58 1HG ARG 58 -9.417 2.974 13.519 453 HG3 ARG 58 2HG ARG 58 -9.067 4.659 13.128 454 HD2 ARG 58 1HD ARG 58 -10.811 4.648 14.751 455 HD3 ARG 58 2HD ARG 58 -11.530 5.097 13.205 456 HH11 ARG 58 1HH1 ARG 58 -10.286 3.021 15.689 457 HH12 ARG 58 2HH1 ARG 58 -10.916 1.587 16.431 458 HH21 ARG 58 2HH2 ARG 58 -12.797 0.590 15.586 459 HH22 ARG 58 1HH2 ARG 58 -13.594 1.266 14.206 460 H LEU 59 H LEU 59 -7.999 3.454 9.206 461 HA LEU 59 HA LEU 59 -9.757 2.489 7.066 462 HG LEU 59 HG LEU 59 -9.220 5.492 8.413 463 HB2 LEU 59 1HB LEU 59 -7.593 4.572 6.881 464 HB3 LEU 59 2HB LEU 59 -8.853 4.230 5.698 465 HD11 LEU 59 1HD1 LEU 59 -9.054 6.508 5.630 466 HD12 LEU 59 2HD1 LEU 59 -8.492 7.231 7.137 467 HD13 LEU 59 3HD1 LEU 59 -10.207 7.272 6.725 468 HD21 LEU 59 3HD2 LEU 59 -11.570 5.720 7.791 469 HD22 LEU 59 1HD2 LEU 59 -11.095 4.024 7.877 470 HD23 LEU 59 2HD2 LEU 59 -11.272 4.811 6.309 471 H LYS 60 H LYS 60 -7.622 0.920 8.456 472 HA LYS 60 HA LYS 60 -6.649 -0.502 6.257 473 HB2 LYS 60 1HB LYS 60 -5.224 1.810 6.501 474 HB3 LYS 60 2HB LYS 60 -4.259 0.712 7.478 475 HG2 LYS 60 1HG LYS 60 -3.595 -0.513 5.697 476 HG3 LYS 60 2HG LYS 60 -5.111 -0.273 4.825 477 HD2 LYS 60 1HD LYS 60 -4.367 1.588 3.792 478 HD3 LYS 60 2HD LYS 60 -3.498 2.156 5.220 479 HE2 LYS 60 1HE LYS 60 -2.274 -0.227 4.166 480 HE3 LYS 60 2HE LYS 60 -2.418 1.000 2.909 481 HZ1 LYS 60 3HZ LYS 60 -1.354 2.578 4.467 482 HZ2 LYS 60 1HZ LYS 60 -0.348 1.290 4.029 483 HZ3 LYS 60 2HZ LYS 60 -1.094 1.302 5.547 484 H LYS 61 H LYS 61 -6.074 -2.484 6.924 485 HA LYS 61 HA LYS 61 -6.085 -3.050 9.746 486 HB2 LYS 61 1HB LYS 61 -5.540 -4.938 7.450 487 HB3 LYS 61 2HB LYS 61 -5.987 -5.379 9.093 488 HG2 LYS 61 1HG LYS 61 -8.117 -5.347 8.508 489 HG3 LYS 61 2HG LYS 61 -7.982 -3.629 8.125 490 HD2 LYS 61 1HD LYS 61 -7.536 -4.050 5.867 491 HD3 LYS 61 2HD LYS 61 -7.109 -5.735 6.173 492 HE2 LYS 61 1HE LYS 61 -9.235 -5.808 5.174 493 HE3 LYS 61 2HE LYS 61 -9.525 -6.054 6.895 494 HZ1 LYS 61 3HZ LYS 61 -10.222 -3.784 5.200 495 HZ2 LYS 61 1HZ LYS 61 -9.773 -3.440 6.794 496 HZ3 LYS 61 2HZ LYS 61 -11.075 -4.475 6.487 497 H LEU 62 H LEU 62 -3.732 -3.488 7.107 498 HA LEU 62 HA LEU 62 -1.607 -3.556 9.148 499 HG LEU 62 HG LEU 62 0.084 -4.978 9.054 500 HB2 LEU 62 1HB LEU 62 -2.217 -5.547 7.400 501 HB3 LEU 62 2HB LEU 62 -0.989 -4.661 6.498 502 HD11 LEU 62 1HD1 LEU 62 -1.677 -6.641 9.507 503 HD12 LEU 62 2HD1 LEU 62 -0.061 -7.347 9.497 504 HD13 LEU 62 3HD1 LEU 62 -1.129 -7.572 8.112 505 HD21 LEU 62 3HD2 LEU 62 1.645 -5.164 7.432 506 HD22 LEU 62 1HD2 LEU 62 0.554 -5.994 6.323 507 HD23 LEU 62 2HD2 LEU 62 1.328 -6.887 7.632 508 HA MET 1 HA MET 1 3.209 45.548 13.589 509 H1 MET 1 1H MET 1 3.264 47.371 11.461 510 HB2 MET 1 1HB MET 1 4.053 48.443 13.464 511 HB3 MET 1 2HB MET 1 4.268 47.443 14.894 512 HG2 MET 1 1HG MET 1 5.898 46.157 13.922 513 HG3 MET 1 2HG MET 1 5.331 46.485 12.286 514 HE1 MET 1 3HE MET 1 6.921 47.258 10.919 515 HE2 MET 1 1HE MET 1 8.147 48.498 11.182 516 HE3 MET 1 2HE MET 1 8.341 46.900 11.902 517 H LYS 2 H LYS 2 0.544 46.455 12.757 518 HA LYS 2 HA LYS 2 -0.564 46.824 15.380 519 HB2 LYS 2 1HB LYS 2 -0.154 49.119 13.669 520 HB3 LYS 2 2HB LYS 2 -1.868 48.874 13.976 521 HG2 LYS 2 1HG LYS 2 -1.630 49.171 16.268 522 HG3 LYS 2 2HG LYS 2 0.108 48.860 16.224 523 HD2 LYS 2 1HD LYS 2 0.556 50.966 15.250 524 HD3 LYS 2 2HD LYS 2 -1.145 51.233 14.862 525 HE2 LYS 2 1HE LYS 2 -0.634 52.588 16.748 526 HE3 LYS 2 2HE LYS 2 -1.605 51.235 17.329 527 HZ1 LYS 2 3HZ LYS 2 1.269 50.838 17.384 528 HZ2 LYS 2 1HZ LYS 2 0.094 50.417 18.526 529 HZ3 LYS 2 2HZ LYS 2 0.676 52.003 18.458 530 H LYS 3 H LYS 3 -2.938 46.730 15.363 531 HA LYS 3 HA LYS 3 -4.863 45.673 14.766 532 HB2 LYS 3 1HB LYS 3 -3.937 46.926 12.211 533 HB3 LYS 3 2HB LYS 3 -5.331 45.855 12.182 534 HG2 LYS 3 1HG LYS 3 -6.313 47.914 12.454 535 HG3 LYS 3 2HG LYS 3 -6.196 47.347 14.121 536 HD2 LYS 3 1HD LYS 3 -3.847 48.580 13.968 537 HD3 LYS 3 2HD LYS 3 -4.702 49.506 12.732 538 HE2 LYS 3 1HE LYS 3 -6.565 49.591 14.611 539 HE3 LYS 3 2HE LYS 3 -5.173 49.344 15.664 540 HZ1 LYS 3 3HZ LYS 3 -6.019 51.711 14.400 541 HZ2 LYS 3 1HZ LYS 3 -4.479 51.312 13.826 542 HZ3 LYS 3 2HZ LYS 3 -4.741 51.493 15.487 543 H LEU 4 H LEU 4 -2.296 44.171 14.748 544 HA LEU 4 HA LEU 4 -2.637 42.179 12.673 545 HG LEU 4 HG LEU 4 -1.268 42.632 16.018 546 HB2 LEU 4 1HB LEU 4 -0.708 41.078 13.794 547 HB3 LEU 4 2HB LEU 4 -0.395 42.724 13.249 548 HD11 LEU 4 1HD1 LEU 4 1.332 41.260 15.361 549 HD12 LEU 4 2HD1 LEU 4 -0.133 40.428 15.880 550 HD13 LEU 4 3HD1 LEU 4 0.662 41.571 16.963 551 HD21 LEU 4 3HD2 LEU 4 0.425 44.204 16.308 552 HD22 LEU 4 1HD2 LEU 4 -0.108 44.475 14.649 553 HD23 LEU 4 2HD2 LEU 4 1.375 43.573 14.962 554 H ARG 5 H ARG 5 -3.472 42.626 16.011 555 HA ARG 5 HA ARG 5 -3.856 39.965 16.791 556 HE ARG 5 HE ARG 5 -1.702 42.995 19.495 557 HB2 ARG 5 1HB ARG 5 -4.545 42.597 17.793 558 HB3 ARG 5 2HB ARG 5 -5.836 41.442 18.093 559 HG2 ARG 5 1HG ARG 5 -4.659 40.340 19.647 560 HG3 ARG 5 2HG ARG 5 -3.154 40.454 18.732 561 HD2 ARG 5 1HD ARG 5 -3.981 43.049 19.674 562 HD3 ARG 5 2HD ARG 5 -3.875 41.905 21.011 563 HH11 ARG 5 1HH1 ARG 5 -2.758 40.272 21.390 564 HH12 ARG 5 2HH1 ARG 5 -1.154 39.795 21.838 565 HH21 ARG 5 2HH2 ARG 5 0.651 40.994 21.092 566 HH22 ARG 5 1HH2 ARG 5 0.415 42.378 20.078 567 H GLU 6 H GLU 6 -5.908 42.181 14.997 568 HA GLU 6 HA GLU 6 -8.276 40.636 15.106 569 HB2 GLU 6 1HB GLU 6 -7.351 42.697 13.099 570 HB3 GLU 6 2HB GLU 6 -8.968 42.007 13.132 571 HG2 GLU 6 1HG GLU 6 -9.435 42.988 15.242 572 HG3 GLU 6 2HG GLU 6 -7.754 43.470 15.459 573 H GLU 7 H GLU 7 -5.466 40.585 13.023 574 HA GLU 7 HA GLU 7 -6.617 38.892 11.028 575 HB2 GLU 7 1HB GLU 7 -4.213 40.347 11.357 576 HB3 GLU 7 2HB GLU 7 -3.759 38.666 11.115 577 HG2 GLU 7 1HG GLU 7 -4.061 38.911 8.944 578 HG3 GLU 7 2HG GLU 7 -5.767 39.252 9.228 579 H ALA 8 H ALA 8 -4.758 38.391 13.963 580 HA ALA 8 HA ALA 8 -4.088 35.691 13.591 581 HB1 ALA 8 3HB ALA 8 -3.655 35.620 15.949 582 HB2 ALA 8 1HB ALA 8 -3.129 37.186 15.330 583 HB3 ALA 8 2HB ALA 8 -4.646 37.054 16.221 584 H ALA 9 H ALA 9 -6.916 37.195 15.119 585 HA ALA 9 HA ALA 9 -8.160 34.848 16.005 586 HB1 ALA 9 3HB ALA 9 -8.807 37.120 16.711 587 HB2 ALA 9 1HB ALA 9 -9.502 37.396 15.113 588 HB3 ALA 9 2HB ALA 9 -10.183 36.159 16.170 589 H LYS 10 H LYS 10 -8.382 36.565 12.918 590 HA LYS 10 HA LYS 10 -10.371 34.839 11.820 591 HB2 LYS 10 1HB LYS 10 -9.831 37.221 11.092 592 HB3 LYS 10 2HB LYS 10 -8.439 36.546 10.255 593 HG2 LYS 10 1HG LYS 10 -9.798 36.325 8.509 594 HG3 LYS 10 2HG LYS 10 -10.499 34.958 9.379 595 HD2 LYS 10 1HD LYS 10 -11.814 37.074 10.498 596 HD3 LYS 10 2HD LYS 10 -11.607 37.616 8.830 597 HE2 LYS 10 1HE LYS 10 -12.812 35.809 7.972 598 HE3 LYS 10 2HE LYS 10 -12.635 34.869 9.453 599 HZ1 LYS 10 3HZ LYS 10 -14.367 37.233 9.011 600 HZ2 LYS 10 1HZ LYS 10 -14.053 36.595 10.546 601 HZ3 LYS 10 2HZ LYS 10 -14.847 35.655 9.385 602 H LEU 11 H LEU 11 -6.866 34.887 11.834 603 HA LEU 11 HA LEU 11 -6.273 33.140 9.784 604 HG LEU 11 HG LEU 11 -4.310 31.366 10.854 605 HB2 LEU 11 1HB LEU 11 -4.569 34.311 11.043 606 HB3 LEU 11 2HB LEU 11 -4.962 33.381 12.488 607 HD11 LEU 11 1HD1 LEU 11 -3.522 33.667 9.402 608 HD12 LEU 11 2HD1 LEU 11 -3.257 31.971 9.003 609 HD13 LEU 11 3HD1 LEU 11 -2.061 32.849 9.956 610 HD21 LEU 11 3HD2 LEU 11 -2.817 33.035 12.775 611 HD22 LEU 11 1HD2 LEU 11 -1.852 31.961 11.762 612 HD23 LEU 11 2HD2 LEU 11 -3.132 31.299 12.779 613 H PHE 12 H PHE 12 -7.399 32.425 13.044 614 HA PHE 12 HA PHE 12 -7.007 29.649 13.009 615 HD1 PHE 12 HD1 PHE 12 -9.254 28.012 14.104 616 HD2 PHE 12 HD2 PHE 12 -6.871 30.375 16.721 617 HE1 PHE 12 HE1 PHE 12 -8.867 26.041 15.526 618 HE2 PHE 12 HE2 PHE 12 -6.479 28.408 18.147 619 HZ PHE 12 HZ PHE 12 -7.478 26.238 17.550 620 HB2 PHE 12 1HB PHE 12 -7.819 31.368 14.898 621 HB3 PHE 12 2HB PHE 12 -9.388 30.721 14.429 622 H GLU 13 H GLU 13 -9.667 31.650 11.855 623 HA GLU 13 HA GLU 13 -11.494 29.575 11.322 624 HB2 GLU 13 1HB GLU 13 -11.475 32.350 11.091 625 HB3 GLU 13 2HB GLU 13 -11.680 31.781 9.441 626 HG2 GLU 13 1HG GLU 13 -13.799 31.262 9.806 627 HG3 GLU 13 2HG GLU 13 -13.385 30.317 11.235 628 H GLU 14 H GLU 14 -8.885 30.983 9.424 629 HA GLU 14 HA GLU 14 -9.423 29.954 6.922 630 HB2 GLU 14 1HB GLU 14 -7.416 31.407 7.896 631 HB3 GLU 14 2HB GLU 14 -6.605 29.848 7.882 632 HG2 GLU 14 1HG GLU 14 -6.458 29.791 5.642 633 HG3 GLU 14 2HG GLU 14 -8.033 30.547 5.411 634 H TRP 15 H TRP 15 -7.500 28.406 9.493 635 HA TRP 15 HA TRP 15 -7.353 25.926 8.037 636 HD1 TRP 15 HD1 TRP 15 -6.932 23.359 9.419 637 HE1 TRP 15 HE1 TRP 15 -6.969 21.888 11.531 638 HE3 TRP 15 HE3 TRP 15 -5.873 26.933 12.917 639 HZ2 TRP 15 HZ2 TRP 15 -6.599 22.201 14.312 640 HZ3 TRP 15 HZ3 TRP 15 -5.733 26.265 15.281 641 HH2 TRP 15 HH2 TRP 15 -6.090 23.948 15.962 642 HB2 TRP 15 1HB TRP 15 -5.474 26.017 9.308 643 HB3 TRP 15 2HB TRP 15 -6.234 27.020 10.540 644 H LYS 16 H LYS 16 -9.022 27.085 10.946 645 HA LYS 16 HA LYS 16 -10.243 24.742 11.753 646 HB2 LYS 16 1HB LYS 16 -10.401 26.676 13.141 647 HB3 LYS 16 2HB LYS 16 -11.201 27.600 11.877 648 HG2 LYS 16 1HG LYS 16 -12.549 25.133 12.804 649 HG3 LYS 16 2HG LYS 16 -12.516 26.509 13.910 650 HD2 LYS 16 1HD LYS 16 -13.975 27.686 12.671 651 HD3 LYS 16 2HD LYS 16 -13.218 27.203 11.151 652 HE2 LYS 16 1HE LYS 16 -14.679 25.537 10.828 653 HE3 LYS 16 2HE LYS 16 -14.599 25.019 12.511 654 HZ1 LYS 16 3HZ LYS 16 -16.799 25.943 11.612 655 HZ2 LYS 16 1HZ LYS 16 -16.071 27.463 11.763 656 HZ3 LYS 16 2HZ LYS 16 -16.266 26.480 13.125 657 H LYS 17 H LYS 17 -10.996 26.804 9.055 658 HA LYS 17 HA LYS 17 -13.610 25.775 8.562 659 HB2 LYS 17 1HB LYS 17 -12.859 27.972 7.727 660 HB3 LYS 17 2HB LYS 17 -11.701 27.169 6.675 661 HG2 LYS 17 1HG LYS 17 -13.369 26.309 5.292 662 HG3 LYS 17 2HG LYS 17 -14.632 26.578 6.496 663 HD2 LYS 17 1HD LYS 17 -14.854 28.229 4.763 664 HD3 LYS 17 2HD LYS 17 -14.284 29.025 6.232 665 HE2 LYS 17 1HE LYS 17 -12.035 29.090 5.387 666 HE3 LYS 17 2HE LYS 17 -12.486 28.119 3.987 667 HZ1 LYS 17 3HZ LYS 17 -14.109 30.444 4.193 668 HZ2 LYS 17 1HZ LYS 17 -13.138 29.926 2.908 669 HZ3 LYS 17 2HZ LYS 17 -12.470 30.860 4.149 670 H LEU 18 H LEU 18 -10.391 25.068 7.260 671 HA LEU 18 HA LEU 18 -11.142 23.242 5.288 672 HG LEU 18 HG LEU 18 -7.590 24.054 4.734 673 HB2 LEU 18 1HB LEU 18 -8.675 23.796 6.832 674 HB3 LEU 18 2HB LEU 18 -8.767 22.249 5.993 675 HD11 LEU 18 1HD1 LEU 18 -9.912 22.514 3.726 676 HD12 LEU 18 2HD1 LEU 18 -8.209 22.424 3.281 677 HD13 LEU 18 3HD1 LEU 18 -9.215 23.731 2.657 678 HD21 LEU 18 3HD2 LEU 18 -10.167 25.280 3.978 679 HD22 LEU 18 1HD2 LEU 18 -8.565 26.001 4.132 680 HD23 LEU 18 2HD2 LEU 18 -9.538 25.700 5.572 681 H ALA 19 H ALA 19 -10.485 22.767 8.728 682 HA ALA 19 HA ALA 19 -10.580 19.966 8.768 683 HB1 ALA 19 3HB ALA 19 -11.672 21.314 11.136 684 HB2 ALA 19 1HB ALA 19 -10.333 20.176 10.990 685 HB3 ALA 19 2HB ALA 19 -10.085 21.882 10.620 686 H GLU 20 H GLU 20 -13.141 22.388 9.082 687 HA GLU 20 HA GLU 20 -15.211 20.517 9.637 688 HB2 GLU 20 1HB GLU 20 -15.502 22.814 10.290 689 HB3 GLU 20 2HB GLU 20 -15.284 23.363 8.634 690 HG2 GLU 20 1HG GLU 20 -17.383 22.684 7.986 691 HG3 GLU 20 2HG GLU 20 -17.511 21.490 9.276 692 H GLU 21 H GLU 21 -13.780 21.780 6.722 693 HA GLU 21 HA GLU 21 -15.870 20.947 4.962 694 HB2 GLU 21 1HB GLU 21 -13.989 22.712 4.590 695 HB3 GLU 21 2HB GLU 21 -13.025 21.329 4.092 696 HG2 GLU 21 1HG GLU 21 -13.872 22.096 2.094 697 HG3 GLU 21 2HG GLU 21 -15.002 20.810 2.517 698 H ALA 22 H ALA 22 -12.928 19.497 6.198 699 HA ALA 22 HA ALA 22 -12.837 17.304 4.404 700 HB1 ALA 22 3HB ALA 22 -11.658 17.681 7.150 701 HB2 ALA 22 1HB ALA 22 -11.331 16.290 6.117 702 HB3 ALA 22 2HB ALA 22 -10.856 17.907 5.595 703 H ALA 23 H ALA 23 -14.507 17.893 7.422 704 HA ALA 23 HA ALA 23 -15.186 15.270 8.111 705 HB1 ALA 23 3HB ALA 23 -17.049 16.286 9.374 706 HB2 ALA 23 1HB ALA 23 -15.509 17.100 9.652 707 HB3 ALA 23 2HB ALA 23 -16.712 17.828 8.587 708 H LYS 24 H LYS 24 -16.583 17.476 5.776 709 HA LYS 24 HA LYS 24 -18.950 15.941 5.314 710 HB2 LYS 24 1HB LYS 24 -17.624 18.082 3.641 711 HB3 LYS 24 2HB LYS 24 -19.217 17.407 3.326 712 HG2 LYS 24 1HG LYS 24 -20.181 18.488 5.098 713 HG3 LYS 24 2HG LYS 24 -18.669 18.583 6.003 714 HD2 LYS 24 1HD LYS 24 -17.927 20.430 4.824 715 HD3 LYS 24 2HD LYS 24 -18.957 20.083 3.433 716 HE2 LYS 24 1HE LYS 24 -19.858 21.991 4.545 717 HE3 LYS 24 2HE LYS 24 -20.933 20.631 4.863 718 HZ1 LYS 24 3HZ LYS 24 -19.668 20.356 7.006 719 HZ2 LYS 24 1HZ LYS 24 -20.649 21.731 6.901 720 HZ3 LYS 24 2HZ LYS 24 -18.974 21.870 6.705 721 H LEU 25 H LEU 25 -15.723 16.012 3.968 722 HA LEU 25 HA LEU 25 -16.341 14.389 1.691 723 HG LEU 25 HG LEU 25 -15.281 15.791 0.397 724 HB2 LEU 25 1HB LEU 25 -13.946 15.598 2.895 725 HB3 LEU 25 2HB LEU 25 -13.665 14.095 2.018 726 HD11 LEU 25 1HD1 LEU 25 -14.518 17.705 1.576 727 HD12 LEU 25 2HD1 LEU 25 -13.591 17.618 0.079 728 HD13 LEU 25 3HD1 LEU 25 -12.858 17.110 1.600 729 HD21 LEU 25 3HD2 LEU 25 -13.612 15.392 -1.204 730 HD22 LEU 25 1HD2 LEU 25 -13.622 13.948 -0.191 731 HD23 LEU 25 2HD2 LEU 25 -12.366 15.168 0.024 732 H LEU 26 H LEU 26 -15.273 13.811 4.971 733 HA LEU 26 HA LEU 26 -14.559 11.072 4.555 734 HG LEU 26 HG LEU 26 -12.995 10.498 6.138 735 HB2 LEU 26 1HB LEU 26 -14.574 12.972 6.738 736 HB3 LEU 26 2HB LEU 26 -15.153 11.390 7.253 737 HD11 LEU 26 1HD1 LEU 26 -11.823 12.083 5.086 738 HD12 LEU 26 2HD1 LEU 26 -11.294 12.563 6.697 739 HD13 LEU 26 3HD1 LEU 26 -12.650 13.390 5.932 740 HD21 LEU 26 3HD2 LEU 26 -13.229 11.963 8.735 741 HD22 LEU 26 1HD2 LEU 26 -11.698 11.228 8.259 742 HD23 LEU 26 2HD2 LEU 26 -13.141 10.228 8.432 743 H GLU 27 H GLU 27 -17.456 12.788 5.546 744 HA GLU 27 HA GLU 27 -18.864 10.327 6.166 745 HB2 GLU 27 1HB GLU 27 -20.663 11.696 6.885 746 HB3 GLU 27 2HB GLU 27 -19.194 12.492 7.430 747 HG2 GLU 27 1HG GLU 27 -20.084 14.328 6.540 748 HG3 GLU 27 2HG GLU 27 -19.578 13.648 4.994 749 H GLY 28 H GLY 28 -18.478 12.524 3.515 750 HA2 GLY 28 1HA GLY 28 -20.793 12.153 2.052 751 HA3 GLY 28 2HA GLY 28 -19.207 12.406 1.340 752 H GLY 29 H GLY 29 -18.183 9.902 2.588 753 HA2 GLY 29 1HA GLY 29 -18.467 8.165 0.457 754 HA3 GLY 29 2HA GLY 29 -18.000 7.670 2.078 755 H GLY 30 H GLY 30 -20.584 8.605 3.200 756 HA2 GLY 30 1HA GLY 30 -22.883 7.650 2.202 757 HA3 GLY 30 2HA GLY 30 -22.058 6.164 2.649 758 H GLY 31 H GLY 31 -22.359 9.364 4.200 759 HA2 GLY 31 1HA GLY 31 -22.957 7.993 6.721 760 HA3 GLY 31 2HA GLY 31 -22.467 9.672 6.550 761 H GLY 32 H GLY 32 -24.160 10.899 5.025 762 HA2 GLY 32 1HA GLY 32 -26.266 11.802 4.903 763 HA3 GLY 32 2HA GLY 32 -26.866 10.164 5.115 764 H GLY 33 H GLY 33 -28.064 9.812 6.861 765 HA2 GLY 33 1HA GLY 33 -28.674 11.786 8.736 766 HA3 GLY 33 2HA GLY 33 -29.005 10.072 8.937 767 H GLY 34 H GLY 34 -26.159 9.347 8.771 768 HA2 GLY 34 1HA GLY 34 -24.758 10.701 10.858 769 HA3 GLY 34 2HA GLY 34 -25.511 9.226 11.447 770 H GLY 35 H GLY 35 -22.736 9.656 11.449 771 HA2 GLY 35 1HA GLY 35 -21.876 7.286 10.104 772 HA3 GLY 35 2HA GLY 35 -21.274 8.732 9.306 773 H GLU 36 H GLU 36 -19.753 6.649 10.633 774 HA GLU 36 HA GLU 36 -18.810 7.791 13.114 775 HB2 GLU 36 1HB GLU 36 -18.832 5.404 12.991 776 HB3 GLU 36 2HB GLU 36 -17.933 5.412 11.480 777 HG2 GLU 36 1HG GLU 36 -15.936 6.035 12.545 778 HG3 GLU 36 2HG GLU 36 -16.774 6.488 14.028 779 H LEU 37 H LEU 37 -17.810 7.665 9.761 780 HA LEU 37 HA LEU 37 -15.157 8.482 10.008 781 HG LEU 37 HG LEU 37 -15.813 6.639 8.394 782 HB2 LEU 37 1HB LEU 37 -17.200 8.928 7.850 783 HB3 LEU 37 2HB LEU 37 -15.532 9.474 7.696 784 HD11 LEU 37 1HD1 LEU 37 -17.459 6.204 6.942 785 HD12 LEU 37 2HD1 LEU 37 -16.227 6.458 5.707 786 HD13 LEU 37 3HD1 LEU 37 -17.313 7.774 6.153 787 HD21 LEU 37 3HD2 LEU 37 -13.663 7.265 7.843 788 HD22 LEU 37 1HD2 LEU 37 -14.193 8.356 6.563 789 HD23 LEU 37 2HD2 LEU 37 -14.246 6.611 6.312 790 H MET 38 H MET 38 -18.125 10.292 10.251 791 HA MET 38 HA MET 38 -16.895 12.873 10.020 792 HB2 MET 38 1HB MET 38 -19.217 12.648 9.423 793 HB3 MET 38 2HB MET 38 -19.613 12.004 11.011 794 HG2 MET 38 1HG MET 38 -19.025 14.160 12.019 795 HG3 MET 38 2HG MET 38 -18.674 14.799 10.415 796 HE1 MET 38 3HE MET 38 -20.296 14.221 8.528 797 HE2 MET 38 1HE MET 38 -21.718 13.250 8.907 798 HE3 MET 38 2HE MET 38 -21.888 14.978 8.601 799 H LYS 39 H LYS 39 -17.581 10.639 12.600 800 HA LYS 39 HA LYS 39 -17.261 12.510 14.735 801 HB2 LYS 39 1HB LYS 39 -18.535 10.504 15.126 802 HB3 LYS 39 2HB LYS 39 -17.175 9.491 14.657 803 HG2 LYS 39 1HG LYS 39 -16.356 11.204 16.782 804 HG3 LYS 39 2HG LYS 39 -17.867 10.409 17.230 805 HD2 LYS 39 1HD LYS 39 -16.932 8.252 16.893 806 HD3 LYS 39 2HD LYS 39 -15.502 8.923 16.104 807 HE2 LYS 39 1HE LYS 39 -16.120 9.756 18.895 808 HE3 LYS 39 2HE LYS 39 -15.448 8.149 18.625 809 HZ1 LYS 39 3HZ LYS 39 -13.811 10.003 19.046 810 HZ2 LYS 39 1HZ LYS 39 -14.198 10.587 17.506 811 HZ3 LYS 39 2HZ LYS 39 -13.517 9.048 17.680 812 H LEU 40 H LEU 40 -15.128 10.385 12.943 813 HA LEU 40 HA LEU 40 -12.907 10.576 14.702 814 HG LEU 40 HG LEU 40 -11.955 8.661 14.473 815 HB2 LEU 40 1HB LEU 40 -13.497 9.429 12.104 816 HB3 LEU 40 2HB LEU 40 -11.880 10.128 12.164 817 HD11 LEU 40 1HD1 LEU 40 -14.126 7.737 12.970 818 HD12 LEU 40 2HD1 LEU 40 -13.392 6.975 14.381 819 HD13 LEU 40 3HD1 LEU 40 -12.851 6.536 12.762 820 HD21 LEU 40 3HD2 LEU 40 -10.037 8.526 13.208 821 HD22 LEU 40 1HD2 LEU 40 -10.914 8.177 11.718 822 HD23 LEU 40 2HD2 LEU 40 -10.736 6.927 12.949 823 H CYS 41 H CYS 41 -13.941 12.406 11.866 824 HA CYS 41 HA CYS 41 -11.588 14.030 11.769 825 HG CYS 41 HG CYS 41 -11.428 13.344 9.003 826 HB2 CYS 41 1HB CYS 41 -13.924 13.634 10.169 827 HB3 CYS 41 2HB CYS 41 -13.758 15.354 10.497 828 H GLU 42 H GLU 42 -14.716 14.249 13.313 829 HA GLU 42 HA GLU 42 -14.751 16.977 13.925 830 HB2 GLU 42 1HB GLU 42 -16.664 15.398 14.210 831 HB3 GLU 42 2HB GLU 42 -15.853 14.730 15.619 832 HG2 GLU 42 1HG GLU 42 -16.872 16.249 16.856 833 HG3 GLU 42 2HG GLU 42 -15.925 17.491 16.038 834 H GLU 43 H GLU 43 -13.056 14.306 15.404 835 HA GLU 43 HA GLU 43 -12.418 15.338 17.886 836 HB2 GLU 43 1HB GLU 43 -11.089 13.439 16.018 837 HB3 GLU 43 2HB GLU 43 -10.144 14.046 17.370 838 HG2 GLU 43 1HG GLU 43 -12.840 13.063 18.028 839 HG3 GLU 43 2HG GLU 43 -11.684 11.850 17.481 840 H ALA 44 H ALA 44 -10.726 15.832 14.804 841 HA ALA 44 HA ALA 44 -8.643 17.429 15.811 842 HB1 ALA 44 3HB ALA 44 -9.459 18.117 13.103 843 HB2 ALA 44 1HB ALA 44 -7.939 17.443 13.694 844 HB3 ALA 44 2HB ALA 44 -9.305 16.378 13.357 845 H ALA 45 H ALA 45 -11.911 18.197 14.785 846 HA ALA 45 HA ALA 45 -11.523 21.039 14.818 847 HB1 ALA 45 3HB ALA 45 -13.882 19.232 14.521 848 HB2 ALA 45 1HB ALA 45 -14.125 20.950 14.837 849 HB3 ALA 45 2HB ALA 45 -13.239 20.433 13.402 850 H LYS 46 H LYS 46 -12.369 18.613 17.144 851 HA LYS 46 HA LYS 46 -13.697 20.185 19.047 852 HB2 LYS 46 1HB LYS 46 -13.165 17.572 18.879 853 HB3 LYS 46 2HB LYS 46 -11.875 18.027 19.985 854 HG2 LYS 46 1HG LYS 46 -13.286 18.372 21.697 855 HG3 LYS 46 2HG LYS 46 -14.533 19.079 20.666 856 HD2 LYS 46 1HD LYS 46 -15.550 17.088 20.308 857 HD3 LYS 46 2HD LYS 46 -14.028 16.194 20.295 858 HE2 LYS 46 1HE LYS 46 -14.755 17.345 22.895 859 HE3 LYS 46 2HE LYS 46 -15.868 16.115 22.301 860 HZ1 LYS 46 3HZ LYS 46 -13.539 15.640 23.609 861 HZ2 LYS 46 1HZ LYS 46 -13.113 15.379 21.992 862 HZ3 LYS 46 2HZ LYS 46 -14.391 14.511 22.680 863 H LYS 47 H LYS 47 -10.246 19.420 18.693 864 HA LYS 47 HA LYS 47 -9.325 20.791 20.949 865 HB2 LYS 47 1HB LYS 47 -7.877 20.421 18.321 866 HB3 LYS 47 2HB LYS 47 -7.137 20.761 19.880 867 HG2 LYS 47 1HG LYS 47 -8.685 18.270 19.196 868 HG3 LYS 47 2HG LYS 47 -6.926 18.407 19.236 869 HD2 LYS 47 1HD LYS 47 -7.562 19.365 21.687 870 HD3 LYS 47 2HD LYS 47 -8.865 18.199 21.444 871 HE2 LYS 47 1HE LYS 47 -7.143 16.493 20.881 872 HE3 LYS 47 2HE LYS 47 -5.899 17.668 21.304 873 HZ1 LYS 47 3HZ LYS 47 -7.792 16.259 23.053 874 HZ2 LYS 47 1HZ LYS 47 -7.226 17.784 23.518 875 HZ3 LYS 47 2HZ LYS 47 -6.133 16.520 23.255 876 H ALA 48 H ALA 48 -10.157 21.923 17.741 877 HA ALA 48 HA ALA 48 -8.963 24.475 17.900 878 HB1 ALA 48 3HB ALA 48 -11.067 23.231 16.204 879 HB2 ALA 48 1HB ALA 48 -10.891 24.986 16.181 880 HB3 ALA 48 2HB ALA 48 -9.526 23.957 15.744 881 H GLU 49 H GLU 49 -12.030 23.205 19.022 882 HA GLU 49 HA GLU 49 -13.216 25.740 19.579 883 HB2 GLU 49 1HB GLU 49 -14.638 23.822 19.241 884 HB3 GLU 49 2HB GLU 49 -13.860 22.957 20.559 885 HG2 GLU 49 1HG GLU 49 -15.025 25.540 21.306 886 HG3 GLU 49 2HG GLU 49 -16.185 24.328 20.765 887 H GLU 50 H GLU 50 -11.213 23.493 21.370 888 HA GLU 50 HA GLU 50 -11.588 24.819 23.895 889 HB2 GLU 50 1HB GLU 50 -10.970 22.349 23.491 890 HB3 GLU 50 2HB GLU 50 -9.333 22.939 23.239 891 HG2 GLU 50 1HG GLU 50 -9.974 24.145 25.584 892 HG3 GLU 50 2HG GLU 50 -10.869 22.632 25.712 893 H LEU 51 H LEU 51 -9.306 24.963 21.252 894 HA LEU 51 HA LEU 51 -7.279 26.414 22.602 895 HG LEU 51 HG LEU 51 -5.478 25.286 19.641 896 HB2 LEU 51 1HB LEU 51 -7.847 25.528 19.897 897 HB3 LEU 51 2HB LEU 51 -7.105 27.126 19.930 898 HD11 LEU 51 1HD1 LEU 51 -5.094 27.535 20.905 899 HD12 LEU 51 2HD1 LEU 51 -3.862 26.274 20.945 900 HD13 LEU 51 3HD1 LEU 51 -4.946 26.490 22.319 901 HD21 LEU 51 3HD2 LEU 51 -5.920 24.543 22.504 902 HD22 LEU 51 1HD2 LEU 51 -5.105 23.643 21.225 903 HD23 LEU 51 2HD2 LEU 51 -6.864 23.772 21.229 904 H PHE 52 H PHE 52 -10.224 27.327 20.965 905 HA PHE 52 HA PHE 52 -9.737 30.035 20.523 906 HD1 PHE 52 HD1 PHE 52 -11.184 31.837 19.808 907 HD2 PHE 52 HD2 PHE 52 -12.624 28.103 18.358 908 HE1 PHE 52 HE1 PHE 52 -11.407 32.802 17.556 909 HE2 PHE 52 HE2 PHE 52 -12.849 29.062 16.103 910 HZ PHE 52 HZ PHE 52 -12.239 31.414 15.699 911 HB2 PHE 52 1HB PHE 52 -12.029 28.276 20.555 912 HB3 PHE 52 2HB PHE 52 -12.439 29.835 21.263 913 H LYS 53 H LYS 53 -10.631 28.320 23.441 914 HA LYS 53 HA LYS 53 -11.359 30.571 24.992 915 HB2 LYS 53 1HB LYS 53 -10.565 27.751 25.590 916 HB3 LYS 53 2HB LYS 53 -10.629 28.912 26.909 917 HG2 LYS 53 1HG LYS 53 -12.985 28.890 25.156 918 HG3 LYS 53 2HG LYS 53 -12.719 27.413 26.085 919 HD2 LYS 53 1HD LYS 53 -12.379 29.895 27.614 920 HD3 LYS 53 2HD LYS 53 -14.015 29.625 27.009 921 HE2 LYS 53 1HE LYS 53 -12.539 27.413 28.374 922 HE3 LYS 53 2HE LYS 53 -13.312 28.676 29.331 923 HZ1 LYS 53 3HZ LYS 53 -15.088 27.740 27.342 924 HZ2 LYS 53 1HZ LYS 53 -15.268 27.717 29.024 925 HZ3 LYS 53 2HZ LYS 53 -14.502 26.430 28.237 926 H LEU 54 H LEU 54 -8.291 28.895 24.478 927 HA LEU 54 HA LEU 54 -6.832 30.428 26.385 928 HG LEU 54 HG LEU 54 -4.753 27.439 25.956 929 HB2 LEU 54 1HB LEU 54 -6.206 28.448 24.281 930 HB3 LEU 54 2HB LEU 54 -4.904 29.541 24.745 931 HD11 LEU 54 1HD1 LEU 54 -3.942 28.568 27.682 932 HD12 LEU 54 2HD1 LEU 54 -5.566 28.957 28.248 933 HD13 LEU 54 3HD1 LEU 54 -4.764 30.007 27.081 934 HD21 LEU 54 3HD2 LEU 54 -7.395 27.271 25.888 935 HD22 LEU 54 1HD2 LEU 54 -7.236 28.002 27.486 936 HD23 LEU 54 2HD2 LEU 54 -6.443 26.466 27.136 937 H ALA 55 H ALA 55 -7.212 30.601 22.864 938 HA ALA 55 HA ALA 55 -5.416 32.631 22.300 939 HB1 ALA 55 3HB ALA 55 -8.032 31.888 21.023 940 HB2 ALA 55 1HB ALA 55 -7.001 33.170 20.387 941 HB3 ALA 55 2HB ALA 55 -6.396 31.516 20.478 942 H GLU 56 H GLU 56 -8.526 32.793 23.845 943 HA GLU 56 HA GLU 56 -9.049 35.541 23.463 944 HB2 GLU 56 1HB GLU 56 -10.252 33.358 24.834 945 HB3 GLU 56 2HB GLU 56 -10.088 34.682 25.980 946 HG2 GLU 56 1HG GLU 56 -11.428 36.106 24.711 947 HG3 GLU 56 2HG GLU 56 -11.265 35.116 23.262 948 H GLU 57 H GLU 57 -7.514 33.783 26.147 949 HA GLU 57 HA GLU 57 -6.890 36.196 27.573 950 HB2 GLU 57 1HB GLU 57 -7.140 33.591 28.315 951 HB3 GLU 57 2HB GLU 57 -5.390 33.745 28.238 952 HG2 GLU 57 1HG GLU 57 -5.541 35.700 29.747 953 HG3 GLU 57 2HG GLU 57 -7.274 35.410 29.890 954 H ARG 58 H ARG 58 -5.291 34.148 25.256 955 HA ARG 58 HA ARG 58 -2.638 35.005 25.708 956 HE ARG 58 HE ARG 58 -0.829 33.429 26.442 957 HB2 ARG 58 1HB ARG 58 -3.944 33.933 23.201 958 HB3 ARG 58 2HB ARG 58 -2.211 34.142 23.415 959 HG2 ARG 58 1HG ARG 58 -3.668 32.519 25.425 960 HG3 ARG 58 2HG ARG 58 -3.406 31.824 23.824 961 HD2 ARG 58 1HD ARG 58 -1.481 31.139 24.824 962 HD3 ARG 58 2HD ARG 58 -0.947 32.722 24.261 963 HH11 ARG 58 1HH1 ARG 58 -2.565 30.416 26.288 964 HH12 ARG 58 2HH1 ARG 58 -2.592 30.192 28.005 965 HH21 ARG 58 2HH2 ARG 58 -1.620 31.747 29.380 966 HH22 ARG 58 1HH2 ARG 58 -0.857 33.147 28.705 967 H LEU 59 H LEU 59 -5.236 36.231 23.664 968 HA LEU 59 HA LEU 59 -3.521 38.508 22.928 969 HG LEU 59 HG LEU 59 -4.181 35.928 21.313 970 HB2 LEU 59 1HB LEU 59 -6.058 37.627 21.568 971 HB3 LEU 59 2HB LEU 59 -4.904 38.832 21.002 972 HD11 LEU 59 1HD1 LEU 59 -5.984 35.890 19.780 973 HD12 LEU 59 2HD1 LEU 59 -4.507 35.837 18.818 974 HD13 LEU 59 3HD1 LEU 59 -5.411 37.344 18.961 975 HD21 LEU 59 3HD2 LEU 59 -2.990 38.197 19.722 976 HD22 LEU 59 1HD2 LEU 59 -2.420 36.528 19.715 977 HD23 LEU 59 2HD2 LEU 59 -2.321 37.488 21.192 978 H LYS 60 H LYS 60 -5.158 38.063 25.405 979 HA LYS 60 HA LYS 60 -6.552 39.221 26.784 980 HB2 LYS 60 1HB LYS 60 -4.895 41.084 25.431 981 HB3 LYS 60 2HB LYS 60 -6.497 41.801 25.544 982 HG2 LYS 60 1HG LYS 60 -5.386 42.512 27.469 983 HG3 LYS 60 2HG LYS 60 -6.420 41.188 28.014 984 HD2 LYS 60 1HD LYS 60 -4.240 39.773 27.460 985 HD3 LYS 60 2HD LYS 60 -3.461 41.325 27.776 986 HE2 LYS 60 1HE LYS 60 -3.778 41.132 29.975 987 HE3 LYS 60 2HE LYS 60 -5.475 40.702 29.764 988 HZ1 LYS 60 3HZ LYS 60 -4.918 38.440 29.504 989 HZ2 LYS 60 1HZ LYS 60 -4.041 38.976 30.847 990 HZ3 LYS 60 2HZ LYS 60 -3.265 38.770 29.358 991 H LYS 61 H LYS 61 -8.348 41.202 26.548 992 HA LYS 61 HA LYS 61 -10.009 40.812 24.211 993 HB2 LYS 61 1HB LYS 61 -11.935 39.961 25.382 994 HB3 LYS 61 2HB LYS 61 -10.576 38.886 25.682 995 HG2 LYS 61 1HG LYS 61 -10.910 39.095 27.856 996 HG3 LYS 61 2HG LYS 61 -10.573 40.823 27.735 997 HD2 LYS 61 1HD LYS 61 -12.686 40.889 28.615 998 HD3 LYS 61 2HD LYS 61 -13.072 40.903 26.892 999 HE2 LYS 61 1HE LYS 61 -13.370 38.455 26.972 1000 HE3 LYS 61 2HE LYS 61 -13.055 38.492 28.706 1001 HZ1 LYS 61 3HZ LYS 61 -15.109 40.324 27.884 1002 HZ2 LYS 61 1HZ LYS 61 -15.118 39.177 29.129 1003 HZ3 LYS 61 2HZ LYS 61 -15.492 38.711 27.547 1004 H LEU 62 H LEU 62 -11.985 42.180 24.304 1005 HA LEU 62 HA LEU 62 -12.397 44.138 26.267 1006 HG LEU 62 HG LEU 62 -11.917 46.376 26.475 1007 HB2 LEU 62 1HB LEU 62 -10.126 44.685 24.850 1008 HB3 LEU 62 2HB LEU 62 -11.342 45.596 23.956 1009 HD11 LEU 62 1HD1 LEU 62 -9.695 46.899 27.527 1010 HD12 LEU 62 2HD1 LEU 62 -8.976 45.741 26.408 1011 HD13 LEU 62 3HD1 LEU 62 -10.178 45.203 27.582 1012 HD21 LEU 62 3HD2 LEU 62 -11.649 48.208 25.229 1013 HD22 LEU 62 1HD2 LEU 62 -10.436 47.438 24.206 1014 HD23 LEU 62 2HD2 LEU 62 -9.961 48.168 25.740
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