NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26685 | 2nwt | 7362 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -1.828 9.835 5.538 2 2H MET 1 2H MET 1 -2.545 10.844 6.694 3 3H MET 1 3H MET 1 -3.224 10.705 5.149 4 HA MET 1 HA MET 1 -3.034 8.556 7.173 5 1HB MET 1 2HB MET 1 -5.374 10.176 6.157 6 2HB MET 1 1HB MET 1 -5.549 8.712 7.112 7 1HG MET 1 2HG MET 1 -5.799 10.654 8.514 8 2HG MET 1 1HG MET 1 -4.332 9.781 8.951 9 1HE MET 1 1HE MET 1 -3.595 11.937 10.341 10 2HE MET 1 2HE MET 1 -5.016 12.838 9.818 11 3HE MET 1 3HE MET 1 -3.411 13.547 9.641 12 HA PRO 2 HA PRO 2 -3.314 6.241 3.341 13 1HB PRO 2 2HB PRO 2 -2.292 3.959 4.267 14 2HB PRO 2 1HB PRO 2 -1.276 5.387 4.030 15 1HG PRO 2 2HG PRO 2 -2.399 4.258 6.555 16 2HG PRO 2 1HG PRO 2 -0.820 5.007 6.265 17 1HD PRO 2 2HD PRO 2 -3.051 6.259 7.382 18 2HD PRO 2 1HD PRO 2 -1.625 7.079 6.719 19 H LYS 3 H LYS 3 -4.927 5.065 2.514 20 HA LYS 3 HA LYS 3 -6.869 3.823 4.326 21 1HB LYS 3 2HB LYS 3 -7.056 4.212 1.330 22 2HB LYS 3 1HB LYS 3 -8.351 3.735 2.412 23 1HG LYS 3 2HG LYS 3 -8.351 5.924 3.436 24 2HG LYS 3 1HG LYS 3 -6.974 6.408 2.439 25 1HD LYS 3 2HD LYS 3 -8.359 5.934 0.419 26 2HD LYS 3 1HD LYS 3 -9.735 5.660 1.488 27 1HE LYS 3 2HE LYS 3 -9.569 7.950 2.301 28 2HE LYS 3 1HE LYS 3 -8.159 8.224 1.278 29 1HZ LYS 3 1HZ LYS 3 -10.031 9.116 0.160 30 2HZ LYS 3 2HZ LYS 3 -10.949 7.718 0.410 31 3HZ LYS 3 3HZ LYS 3 -9.629 7.684 -0.656 32 H ILE 4 H ILE 4 -7.740 1.673 3.636 33 HA ILE 4 HA ILE 4 -5.709 0.033 2.359 34 HB ILE 4 HB ILE 4 -6.975 -1.890 3.157 35 1HG1 ILE 4 2HG1 ILE 4 -9.180 -0.552 3.264 36 2HG1 ILE 4 1HG1 ILE 4 -8.892 -1.818 4.430 37 1HG2 ILE 4 1HG2 ILE 4 -6.450 -1.674 5.551 38 2HG2 ILE 4 2HG2 ILE 4 -6.200 0.054 5.307 39 3HG2 ILE 4 3HG2 ILE 4 -5.152 -1.111 4.497 40 1HD1 ILE 4 1HD1 ILE 4 -8.719 1.140 4.887 41 2HD1 ILE 4 2HD1 ILE 4 -8.141 -0.054 6.042 42 3HD1 ILE 4 3HD1 ILE 4 -9.848 -0.004 5.604 43 H ILE 5 H ILE 5 -6.000 -0.650 0.371 44 HA ILE 5 HA ILE 5 -8.498 0.030 -0.992 45 HB ILE 5 HB ILE 5 -6.059 -1.143 -2.294 46 1HG1 ILE 5 2HG1 ILE 5 -5.309 0.819 -0.998 47 2HG1 ILE 5 1HG1 ILE 5 -5.210 1.117 -2.727 48 1HG2 ILE 5 1HG2 ILE 5 -8.069 -1.065 -3.642 49 2HG2 ILE 5 2HG2 ILE 5 -6.864 0.059 -4.271 50 3HG2 ILE 5 3HG2 ILE 5 -8.230 0.663 -3.335 51 1HD1 ILE 5 1HD1 ILE 5 -6.051 3.062 -1.546 52 2HD1 ILE 5 2HD1 ILE 5 -7.378 2.104 -0.889 53 3HD1 ILE 5 3HD1 ILE 5 -7.284 2.404 -2.624 54 H GLU 6 H GLU 6 -9.705 -1.511 -2.079 55 HA GLU 6 HA GLU 6 -9.020 -4.303 -1.531 56 1HB GLU 6 2HB GLU 6 -11.707 -2.973 -1.818 57 2HB GLU 6 1HB GLU 6 -11.496 -4.711 -1.920 58 1HG GLU 6 2HG GLU 6 -10.484 -4.663 0.348 59 2HG GLU 6 1HG GLU 6 -10.897 -2.950 0.441 60 H ALA 7 H ALA 7 -8.838 -5.661 -3.196 61 HA ALA 7 HA ALA 7 -9.592 -4.721 -5.882 62 1HB ALA 7 1HB ALA 7 -7.443 -5.415 -6.776 63 2HB ALA 7 2HB ALA 7 -6.906 -5.930 -5.177 64 3HB ALA 7 3HB ALA 7 -7.197 -4.222 -5.499 65 H VAL 8 H VAL 8 -9.870 -6.446 -7.393 66 HA VAL 8 HA VAL 8 -10.156 -9.097 -6.216 67 HB VAL 8 HB VAL 8 -11.643 -9.534 -8.196 68 1HG1 VAL 8 1HG1 VAL 8 -12.487 -7.411 -6.243 69 2HG1 VAL 8 2HG1 VAL 8 -12.572 -9.156 -5.997 70 3HG1 VAL 8 3HG1 VAL 8 -13.586 -8.383 -7.217 71 1HG2 VAL 8 1HG2 VAL 8 -12.642 -7.635 -9.344 72 2HG2 VAL 8 2HG2 VAL 8 -10.901 -7.699 -9.627 73 3HG2 VAL 8 3HG2 VAL 8 -11.568 -6.541 -8.475 74 H TYR 9 H TYR 9 -8.590 -10.379 -6.665 75 HA TYR 9 HA TYR 9 -6.720 -10.067 -8.842 76 1HB TYR 9 2HB TYR 9 -6.250 -11.004 -6.547 77 2HB TYR 9 1HB TYR 9 -7.220 -12.407 -6.957 78 HD1 TYR 9 HD1 TYR 9 -6.200 -14.272 -7.899 79 HD2 TYR 9 HD2 TYR 9 -4.177 -10.532 -8.001 80 HE1 TYR 9 HE1 TYR 9 -4.153 -15.405 -8.651 81 HE2 TYR 9 HE2 TYR 9 -2.124 -11.652 -8.749 82 HH TYR 9 HH TYR 9 -2.082 -14.885 -9.830 83 H GLU 10 H GLU 10 -7.625 -10.275 -10.788 84 HA GLU 10 HA GLU 10 -9.173 -12.690 -11.412 85 1HB GLU 10 2HB GLU 10 -8.825 -10.231 -13.120 86 2HB GLU 10 1HB GLU 10 -10.015 -11.497 -13.299 87 1HG GLU 10 2HG GLU 10 -11.132 -10.774 -11.272 88 2HG GLU 10 1HG GLU 10 -9.910 -9.522 -11.041 89 H ASN 11 H ASN 11 -7.974 -14.251 -12.288 90 HA ASN 11 HA ASN 11 -6.679 -15.354 -13.791 91 1HB ASN 11 2HB ASN 11 -7.858 -13.405 -15.229 92 2HB ASN 11 1HB ASN 11 -6.172 -12.996 -15.492 93 1HD2 ASN 11 1HD2 ASN 11 -5.423 -15.892 -15.224 94 2HD2 ASN 11 2HD2 ASN 11 -5.855 -16.590 -16.754 95 H GLY 12 H GLY 12 -5.431 -13.615 -11.626 96 1HA GLY 12 2HA GLY 12 -3.129 -13.891 -11.005 97 2HA GLY 12 1HA GLY 12 -2.704 -13.847 -12.710 98 H VAL 13 H VAL 13 -4.996 -11.527 -12.089 99 HA VAL 13 HA VAL 13 -2.931 -9.427 -11.641 100 HB VAL 13 HB VAL 13 -5.610 -8.931 -12.844 101 1HG1 VAL 13 1HG1 VAL 13 -2.948 -7.533 -13.083 102 2HG1 VAL 13 2HG1 VAL 13 -4.359 -6.997 -12.172 103 3HG1 VAL 13 3HG1 VAL 13 -4.416 -7.049 -13.934 104 1HG2 VAL 13 1HG2 VAL 13 -4.641 -10.713 -14.222 105 2HG2 VAL 13 2HG2 VAL 13 -3.169 -9.765 -14.431 106 3HG2 VAL 13 3HG2 VAL 13 -4.690 -9.191 -15.114 107 H PHE 14 H PHE 14 -3.385 -7.917 -9.980 108 HA PHE 14 HA PHE 14 -5.939 -8.290 -8.594 109 1HB PHE 14 2HB PHE 14 -3.511 -6.643 -7.931 110 2HB PHE 14 1HB PHE 14 -5.011 -6.525 -7.034 111 HD1 PHE 14 HD1 PHE 14 -5.864 -8.544 -5.830 112 HD2 PHE 14 HD2 PHE 14 -1.959 -8.344 -7.498 113 HE1 PHE 14 HE1 PHE 14 -5.154 -10.396 -4.374 114 HE2 PHE 14 HE2 PHE 14 -1.244 -10.198 -6.052 115 HZ PHE 14 HZ PHE 14 -2.840 -11.229 -4.488 116 H LYS 15 H LYS 15 -7.616 -7.222 -9.281 117 HA LYS 15 HA LYS 15 -7.267 -4.629 -10.629 118 1HB LYS 15 2HB LYS 15 -9.653 -6.498 -10.556 119 2HB LYS 15 1HB LYS 15 -9.508 -5.046 -11.513 120 1HG LYS 15 2HG LYS 15 -7.600 -7.309 -11.874 121 2HG LYS 15 1HG LYS 15 -9.187 -7.328 -12.641 122 1HD LYS 15 2HD LYS 15 -8.591 -5.062 -13.604 123 2HD LYS 15 1HD LYS 15 -6.943 -5.369 -13.045 124 1HE LYS 15 2HE LYS 15 -7.193 -6.022 -15.374 125 2HE LYS 15 1HE LYS 15 -6.878 -7.426 -14.357 126 1HZ LYS 15 1HZ LYS 15 -8.594 -8.009 -15.862 127 2HZ LYS 15 2HZ LYS 15 -9.472 -6.602 -15.533 128 3HZ LYS 15 3HZ LYS 15 -9.341 -7.807 -14.352 129 HA PRO 16 HA PRO 16 -8.818 -3.316 -6.571 130 1HB PRO 16 2HB PRO 16 -8.982 -0.633 -7.167 131 2HB PRO 16 1HB PRO 16 -7.531 -1.444 -6.572 132 1HG PRO 16 2HG PRO 16 -8.266 -0.681 -9.363 133 2HG PRO 16 1HG PRO 16 -6.684 -0.631 -8.563 134 1HD PRO 16 2HD PRO 16 -7.360 -2.584 -10.294 135 2HD PRO 16 1HD PRO 16 -6.300 -2.883 -8.904 136 H LEU 17 H LEU 17 -10.687 -2.218 -5.768 137 HA LEU 17 HA LEU 17 -12.958 -2.237 -7.629 138 1HB LEU 17 2HB LEU 17 -12.917 -2.195 -4.605 139 2HB LEU 17 1HB LEU 17 -14.356 -2.293 -5.602 140 HG LEU 17 HG LEU 17 -12.187 -4.390 -5.459 141 1HD1 LEU 17 1HD1 LEU 17 -13.462 -4.293 -3.401 142 2HD1 LEU 17 2HD1 LEU 17 -13.902 -5.733 -4.318 143 3HD1 LEU 17 3HD1 LEU 17 -14.973 -4.334 -4.311 144 1HD2 LEU 17 1HD2 LEU 17 -13.753 -5.764 -6.753 145 2HD2 LEU 17 2HD2 LEU 17 -13.257 -4.326 -7.647 146 3HD2 LEU 17 3HD2 LEU 17 -14.846 -4.386 -6.884 147 H GLN 18 H GLN 18 -10.740 -0.334 -6.222 148 HA GLN 18 HA GLN 18 -12.259 2.048 -6.970 149 1HB GLN 18 2HB GLN 18 -11.155 3.271 -5.019 150 2HB GLN 18 1HB GLN 18 -12.524 2.233 -4.663 151 1HG GLN 18 2HG GLN 18 -10.807 0.441 -4.096 152 2HG GLN 18 1HG GLN 18 -9.618 1.745 -4.116 153 1HE2 GLN 18 1HE2 GLN 18 -9.178 1.562 -1.920 154 2HE2 GLN 18 2HE2 GLN 18 -10.304 2.042 -0.700 155 H LYS 19 H LYS 19 -11.251 2.918 -8.520 156 HA LYS 19 HA LYS 19 -8.767 2.048 -9.434 157 1HB LYS 19 2HB LYS 19 -10.734 3.053 -10.699 158 2HB LYS 19 1HB LYS 19 -10.087 4.622 -10.269 159 1HG LYS 19 2HG LYS 19 -8.437 2.571 -11.702 160 2HG LYS 19 1HG LYS 19 -9.536 3.647 -12.565 161 1HD LYS 19 2HD LYS 19 -8.343 5.585 -11.660 162 2HD LYS 19 1HD LYS 19 -7.262 4.507 -10.776 163 1HE LYS 19 2HE LYS 19 -6.545 3.523 -12.930 164 2HE LYS 19 1HE LYS 19 -7.552 4.703 -13.768 165 1HZ LYS 19 1HZ LYS 19 -5.207 5.364 -13.642 166 2HZ LYS 19 2HZ LYS 19 -5.311 5.387 -11.952 167 3HZ LYS 19 3HZ LYS 19 -6.232 6.475 -12.871 168 H VAL 20 H VAL 20 -6.795 2.709 -9.234 169 HA VAL 20 HA VAL 20 -6.217 5.132 -7.641 170 HB VAL 20 HB VAL 20 -4.270 2.894 -7.949 171 1HG1 VAL 20 1HG1 VAL 20 -3.462 3.741 -5.775 172 2HG1 VAL 20 2HG1 VAL 20 -4.695 4.999 -5.843 173 3HG1 VAL 20 3HG1 VAL 20 -3.416 4.951 -7.056 174 1HG2 VAL 20 1HG2 VAL 20 -5.039 1.884 -5.862 175 2HG2 VAL 20 2HG2 VAL 20 -6.304 1.838 -7.092 176 3HG2 VAL 20 3HG2 VAL 20 -6.375 3.032 -5.796 177 H ASP 21 H ASP 21 -4.829 6.545 -8.323 178 HA ASP 21 HA ASP 21 -3.624 6.043 -10.951 179 1HB ASP 21 2HB ASP 21 -5.331 7.760 -11.048 180 2HB ASP 21 1HB ASP 21 -4.539 8.643 -9.755 181 H LEU 22 H LEU 22 -1.986 5.147 -9.960 182 HA LEU 22 HA LEU 22 0.023 6.994 -8.875 183 1HB LEU 22 2HB LEU 22 -0.545 4.112 -8.233 184 2HB LEU 22 1HB LEU 22 0.947 4.898 -7.789 185 HG LEU 22 HG LEU 22 -1.792 5.766 -6.881 186 1HD1 LEU 22 1HD1 LEU 22 0.396 4.420 -5.315 187 2HD1 LEU 22 2HD1 LEU 22 -1.041 3.606 -5.935 188 3HD1 LEU 22 3HD1 LEU 22 -1.199 4.886 -4.730 189 1HD2 LEU 22 1HD2 LEU 22 -0.557 7.224 -5.339 190 2HD2 LEU 22 2HD2 LEU 22 -0.247 7.635 -7.026 191 3HD2 LEU 22 3HD2 LEU 22 0.956 6.736 -6.103 192 H LYS 23 H LYS 23 2.134 4.950 -9.027 193 HA LYS 23 HA LYS 23 2.807 5.486 -11.802 194 1HB LYS 23 2HB LYS 23 4.503 4.066 -9.752 195 2HB LYS 23 1HB LYS 23 5.031 4.897 -11.202 196 1HG LYS 23 2HG LYS 23 4.468 7.035 -10.236 197 2HG LYS 23 1HG LYS 23 3.820 6.236 -8.799 198 1HD LYS 23 2HD LYS 23 6.169 5.174 -8.620 199 2HD LYS 23 1HD LYS 23 6.663 6.459 -9.722 200 1HE LYS 23 2HE LYS 23 7.061 7.152 -7.449 201 2HE LYS 23 1HE LYS 23 5.762 8.123 -8.142 202 1HZ LYS 23 1HZ LYS 23 5.146 7.458 -5.944 203 2HZ LYS 23 2HZ LYS 23 5.457 5.827 -6.279 204 3HZ LYS 23 3HZ LYS 23 4.166 6.610 -7.035 205 H GLU 24 H GLU 24 4.050 3.629 -12.960 206 HA GLU 24 HA GLU 24 2.655 1.123 -12.604 207 1HB GLU 24 2HB GLU 24 4.921 1.755 -14.504 208 2HB GLU 24 1HB GLU 24 3.774 0.441 -14.605 209 1HG GLU 24 2HG GLU 24 2.647 1.707 -16.026 210 2HG GLU 24 1HG GLU 24 2.152 2.647 -14.620 211 H GLY 25 H GLY 25 3.352 -0.478 -11.551 212 1HA GLY 25 2HA GLY 25 4.557 -1.669 -10.021 213 2HA GLY 25 1HA GLY 25 6.014 -0.942 -10.683 214 H GLU 26 H GLU 26 3.144 0.191 -9.005 215 HA GLU 26 HA GLU 26 4.755 1.669 -7.112 216 1HB GLU 26 2HB GLU 26 2.598 2.460 -8.209 217 2HB GLU 26 1HB GLU 26 1.756 1.313 -7.189 218 1HG GLU 26 2HG GLU 26 1.589 3.320 -6.099 219 2HG GLU 26 1HG GLU 26 2.864 2.467 -5.244 220 H ARG 27 H ARG 27 4.703 1.187 -4.801 221 HA ARG 27 HA ARG 27 4.718 -1.722 -4.516 222 1HB ARG 27 2HB ARG 27 6.332 0.423 -3.519 223 2HB ARG 27 1HB ARG 27 5.885 -0.675 -2.239 224 1HG ARG 27 2HG ARG 27 8.050 -1.200 -3.352 225 2HG ARG 27 1HG ARG 27 6.879 -2.516 -3.368 226 1HD ARG 27 2HD ARG 27 8.077 -2.239 -5.518 227 2HD ARG 27 1HD ARG 27 6.330 -2.069 -5.668 228 HE ARG 27 HE ARG 27 6.616 0.124 -6.278 229 1HH1 ARG 27 1HH1 ARG 27 9.636 -1.105 -4.994 230 2HH1 ARG 27 2HH1 ARG 27 10.568 0.252 -5.561 231 1HH2 ARG 27 1HH2 ARG 27 7.830 1.894 -7.025 232 2HH2 ARG 27 2HH2 ARG 27 9.541 1.964 -6.712 233 H VAL 28 H VAL 28 3.363 -2.776 -3.481 234 HA VAL 28 HA VAL 28 1.926 -1.642 -1.187 235 HB VAL 28 HB VAL 28 -0.201 -2.630 -2.015 236 1HG1 VAL 28 1HG1 VAL 28 1.020 -0.569 -3.841 237 2HG1 VAL 28 2HG1 VAL 28 0.223 -0.245 -2.301 238 3HG1 VAL 28 3HG1 VAL 28 -0.703 -0.890 -3.656 239 1HG2 VAL 28 1HG2 VAL 28 -0.399 -3.214 -4.382 240 2HG2 VAL 28 2HG2 VAL 28 0.738 -4.272 -3.549 241 3HG2 VAL 28 3HG2 VAL 28 1.338 -2.976 -4.582 242 H LYS 29 H LYS 29 1.066 -3.180 0.276 243 HA LYS 29 HA LYS 29 1.947 -5.972 -0.091 244 1HB LYS 29 2HB LYS 29 1.659 -4.301 2.371 245 2HB LYS 29 1HB LYS 29 1.671 -6.051 2.434 246 1HG LYS 29 2HG LYS 29 3.878 -6.062 1.355 247 2HG LYS 29 1HG LYS 29 3.866 -4.295 1.371 248 1HD LYS 29 2HD LYS 29 3.548 -4.430 3.853 249 2HD LYS 29 1HD LYS 29 3.856 -6.160 3.730 250 1HE LYS 29 2HE LYS 29 6.075 -5.869 3.181 251 2HE LYS 29 1HE LYS 29 5.809 -4.250 2.534 252 1HZ LYS 29 1HZ LYS 29 5.603 -4.918 5.417 253 2HZ LYS 29 2HZ LYS 29 5.599 -3.374 4.713 254 3HZ LYS 29 3HZ LYS 29 7.014 -4.314 4.692 255 H ILE 30 H ILE 30 0.550 -7.547 0.253 256 HA ILE 30 HA ILE 30 -2.294 -6.765 0.134 257 HB ILE 30 HB ILE 30 -1.403 -9.514 -0.552 258 1HG1 ILE 30 2HG1 ILE 30 -1.106 -7.226 -2.502 259 2HG1 ILE 30 1HG1 ILE 30 0.245 -7.963 -1.659 260 1HG2 ILE 30 1HG2 ILE 30 -3.187 -9.270 -2.244 261 2HG2 ILE 30 2HG2 ILE 30 -3.461 -7.625 -1.670 262 3HG2 ILE 30 3HG2 ILE 30 -3.748 -8.994 -0.596 263 1HD1 ILE 30 1HD1 ILE 30 0.070 -8.839 -3.892 264 2HD1 ILE 30 2HD1 ILE 30 -1.604 -9.317 -3.601 265 3HD1 ILE 30 3HD1 ILE 30 -0.296 -10.103 -2.718 266 H LYS 31 H LYS 31 -3.724 -7.586 1.483 267 HA LYS 31 HA LYS 31 -2.862 -9.655 3.372 268 1HB LYS 31 2HB LYS 31 -4.174 -7.058 3.908 269 2HB LYS 31 1HB LYS 31 -4.817 -8.444 4.772 270 1HG LYS 31 2HG LYS 31 -3.226 -7.568 6.216 271 2HG LYS 31 1HG LYS 31 -2.392 -8.913 5.440 272 1HD LYS 31 2HD LYS 31 -1.185 -7.465 4.011 273 2HD LYS 31 1HD LYS 31 -2.200 -6.091 4.442 274 1HE LYS 31 2HE LYS 31 -0.194 -7.512 6.185 275 2HE LYS 31 1HE LYS 31 -0.105 -5.857 5.583 276 1HZ LYS 31 1HZ LYS 31 -2.218 -5.461 6.883 277 2HZ LYS 31 2HZ LYS 31 -0.811 -5.701 7.801 278 3HZ LYS 31 3HZ LYS 31 -1.937 -6.957 7.634 279 H LEU 32 H LEU 32 -4.172 -11.286 3.629 280 HA LEU 32 HA LEU 32 -6.731 -11.278 2.204 281 1HB LEU 32 2HB LEU 32 -5.038 -13.572 3.199 282 2HB LEU 32 1HB LEU 32 -6.597 -13.750 2.449 283 HG LEU 32 HG LEU 32 -5.604 -12.684 0.373 284 1HD1 LEU 32 1HD1 LEU 32 -3.019 -13.265 1.816 285 2HD1 LEU 32 2HD1 LEU 32 -3.639 -11.667 1.399 286 3HD1 LEU 32 3HD1 LEU 32 -3.182 -12.795 0.123 287 1HD2 LEU 32 1HD2 LEU 32 -6.043 -15.069 0.565 288 2HD2 LEU 32 2HD2 LEU 32 -4.474 -15.310 1.333 289 3HD2 LEU 32 3HD2 LEU 32 -4.563 -14.774 -0.346 290 H GLU 33 H GLU 33 -8.481 -11.065 3.467 291 HA GLU 33 HA GLU 33 -8.188 -10.789 6.256 292 1HB GLU 33 2HB GLU 33 -10.710 -11.158 4.676 293 2HB GLU 33 1HB GLU 33 -10.602 -10.558 6.309 294 1HG GLU 33 2HG GLU 33 -9.440 -9.213 3.890 295 2HG GLU 33 1HG GLU 33 -10.930 -8.748 4.709 296 H LEU 34 H LEU 34 -8.394 -12.169 7.828 297 HA LEU 34 HA LEU 34 -8.780 -14.974 7.090 298 1HB LEU 34 2HB LEU 34 -7.099 -15.581 8.685 299 2HB LEU 34 1HB LEU 34 -6.439 -14.388 7.590 300 HG LEU 34 HG LEU 34 -7.594 -13.457 10.167 301 1HD1 LEU 34 1HD1 LEU 34 -6.193 -15.363 10.806 302 2HD1 LEU 34 2HD1 LEU 34 -5.479 -13.835 11.323 303 3HD1 LEU 34 3HD1 LEU 34 -4.845 -14.671 9.904 304 1HD2 LEU 34 1HD2 LEU 34 -5.222 -12.587 8.516 305 2HD2 LEU 34 2HD2 LEU 34 -5.796 -11.794 9.983 306 3HD2 LEU 34 3HD2 LEU 34 -6.807 -11.819 8.541 307 H LYS 35 H LYS 35 -9.510 -16.403 8.748 308 HA LYS 35 HA LYS 35 -11.230 -15.111 10.710 309 1HB LYS 35 2HB LYS 35 -11.085 -17.958 9.734 310 2HB LYS 35 1HB LYS 35 -12.227 -17.357 10.905 311 1HG LYS 35 2HG LYS 35 -12.063 -16.229 8.133 312 2HG LYS 35 1HG LYS 35 -13.054 -17.633 8.523 313 1HD LYS 35 2HD LYS 35 -14.507 -15.782 8.637 314 2HD LYS 35 1HD LYS 35 -14.139 -16.195 10.311 315 1HE LYS 35 2HE LYS 35 -12.411 -14.409 10.310 316 2HE LYS 35 1HE LYS 35 -12.932 -13.958 8.688 317 1HZ LYS 35 1HZ LYS 35 -13.964 -12.552 10.344 318 2HZ LYS 35 2HZ LYS 35 -14.614 -13.909 11.133 319 3HZ LYS 35 3HZ LYS 35 -15.142 -13.503 9.575 320 H VAL 36 H VAL 36 -11.196 -15.884 12.901 321 HA VAL 36 HA VAL 36 -8.468 -16.483 13.715 322 HB VAL 36 HB VAL 36 -9.496 -14.597 14.793 323 1HG1 VAL 36 1HG1 VAL 36 -11.824 -15.190 14.607 324 2HG1 VAL 36 2HG1 VAL 36 -11.426 -14.851 16.292 325 3HG1 VAL 36 3HG1 VAL 36 -11.602 -16.518 15.746 326 1HG2 VAL 36 1HG2 VAL 36 -9.164 -15.181 17.136 327 2HG2 VAL 36 2HG2 VAL 36 -7.915 -15.891 16.112 328 3HG2 VAL 36 3HG2 VAL 36 -9.233 -16.894 16.719 329 H GLU 37 H GLU 37 -7.856 -18.204 14.882 330 HA GLU 37 HA GLU 37 -9.739 -20.412 15.045 331 1HB GLU 37 2HB GLU 37 -7.563 -21.672 15.574 332 2HB GLU 37 1HB GLU 37 -7.816 -21.120 13.932 333 1HG GLU 37 2HG GLU 37 -6.382 -19.181 14.403 334 2HG GLU 37 1HG GLU 37 -6.095 -19.812 16.024 335 HA PRO 38 HA PRO 38 -10.039 -19.531 19.401 336 1HB PRO 38 2HB PRO 38 -11.685 -21.571 20.049 337 2HB PRO 38 1HB PRO 38 -12.249 -20.146 19.167 338 1HG PRO 38 2HG PRO 38 -11.496 -22.849 18.113 339 2HG PRO 38 1HG PRO 38 -12.885 -21.831 17.687 340 1HD PRO 38 2HD PRO 38 -10.642 -21.975 16.166 341 2HD PRO 38 1HD PRO 38 -11.642 -20.511 16.274 342 H ILE 39 H ILE 39 -9.831 -20.836 21.471 343 HA ILE 39 HA ILE 39 -7.685 -22.812 21.158 344 HB ILE 39 HB ILE 39 -7.012 -22.063 23.462 345 1HG1 ILE 39 2HG1 ILE 39 -8.846 -19.752 22.816 346 2HG1 ILE 39 1HG1 ILE 39 -9.093 -20.943 24.089 347 1HG2 ILE 39 1HG2 ILE 39 -5.781 -21.433 21.458 348 2HG2 ILE 39 2HG2 ILE 39 -5.755 -20.140 22.656 349 3HG2 ILE 39 3HG2 ILE 39 -6.825 -20.026 21.258 350 1HD1 ILE 39 1HD1 ILE 39 -8.253 -18.868 25.001 351 2HD1 ILE 39 2HD1 ILE 39 -6.847 -18.943 23.939 352 3HD1 ILE 39 3HD1 ILE 39 -7.062 -20.153 25.205 353 H ASP 40 H ASP 40 -7.505 -24.331 23.005 354 HA ASP 40 HA ASP 40 -10.172 -25.174 23.911 355 1HB ASP 40 2HB ASP 40 -8.519 -26.696 22.557 356 2HB ASP 40 1HB ASP 40 -7.689 -26.868 24.099 357 H LEU 41 H LEU 41 -9.551 -26.685 26.119 358 HA LEU 41 HA LEU 41 -8.867 -24.588 28.016 359 1HB LEU 41 2HB LEU 41 -10.833 -26.111 28.334 360 2HB LEU 41 1HB LEU 41 -9.707 -27.436 28.563 361 HG LEU 41 HG LEU 41 -8.777 -26.275 30.544 362 1HD1 LEU 41 1HD1 LEU 41 -11.006 -24.310 30.021 363 2HD1 LEU 41 2HD1 LEU 41 -9.274 -23.984 29.949 364 3HD1 LEU 41 3HD1 LEU 41 -10.035 -24.376 31.491 365 1HD2 LEU 41 1HD2 LEU 41 -11.757 -26.738 30.583 366 2HD2 LEU 41 2HD2 LEU 41 -10.721 -26.639 32.007 367 3HD2 LEU 41 3HD2 LEU 41 -10.500 -27.949 30.847 368 H GLY 42 H GLY 42 -7.133 -24.667 29.458 369 1HA GLY 42 2HA GLY 42 -4.867 -26.144 28.435 370 2HA GLY 42 1HA GLY 42 -4.832 -24.906 29.681 371 H GLU 43 H GLU 43 -3.678 -25.940 31.190 372 HA GLU 43 HA GLU 43 -4.155 -28.689 31.871 373 1HB GLU 43 2HB GLU 43 -2.431 -26.726 33.371 374 2HB GLU 43 1HB GLU 43 -2.282 -28.471 33.316 375 1HG GLU 43 2HG GLU 43 -0.608 -27.952 31.897 376 2HG GLU 43 1HG GLU 43 -1.931 -27.979 30.730 377 HA PRO 44 HA PRO 44 -6.889 -28.147 35.329 378 1HB PRO 44 2HB PRO 44 -5.290 -30.000 36.951 379 2HB PRO 44 1HB PRO 44 -6.931 -30.188 36.328 380 1HG PRO 44 2HG PRO 44 -4.869 -31.613 35.356 381 2HG PRO 44 1HG PRO 44 -6.212 -31.080 34.328 382 1HD PRO 44 2HD PRO 44 -3.470 -29.906 34.622 383 2HD PRO 44 1HD PRO 44 -4.428 -30.171 33.148 384 H VAL 45 H VAL 45 -6.679 -28.096 37.917 385 HA VAL 45 HA VAL 45 -5.217 -25.674 38.435 386 HB VAL 45 HB VAL 45 -6.701 -27.265 40.506 387 1HG1 VAL 45 1HG1 VAL 45 -5.437 -25.359 41.305 388 2HG1 VAL 45 2HG1 VAL 45 -7.166 -25.044 41.447 389 3HG1 VAL 45 3HG1 VAL 45 -6.240 -24.310 40.137 390 1HG2 VAL 45 1HG2 VAL 45 -8.738 -26.031 39.877 391 2HG2 VAL 45 2HG2 VAL 45 -8.197 -27.142 38.620 392 3HG2 VAL 45 3HG2 VAL 45 -7.897 -25.410 38.457 393 H SER 46 H SER 46 -3.757 -25.399 40.222 394 HA SER 46 HA SER 46 -1.983 -27.690 40.532 395 1HB SER 46 2HB SER 46 -0.471 -25.815 41.480 396 2HB SER 46 1HB SER 46 -0.789 -25.836 39.749 397 HG SER 46 HG SER 46 -1.764 -24.098 41.742 398 H VAL 47 H VAL 47 -0.691 -27.462 42.741 399 HA VAL 47 HA VAL 47 -2.704 -27.239 44.874 400 HB VAL 47 HB VAL 47 -1.825 -29.482 44.688 401 1HG1 VAL 47 1HG1 VAL 47 0.539 -30.000 45.169 402 2HG1 VAL 47 2HG1 VAL 47 0.896 -28.272 45.151 403 3HG1 VAL 47 3HG1 VAL 47 0.336 -29.071 43.683 404 1HG2 VAL 47 1HG2 VAL 47 -2.434 -28.732 46.897 405 2HG2 VAL 47 2HG2 VAL 47 -0.831 -28.039 47.139 406 3HG2 VAL 47 3HG2 VAL 47 -1.023 -29.787 47.008 407 H GLU 48 H GLU 48 -2.520 -25.688 46.275 408 HA GLU 48 HA GLU 48 -0.043 -24.117 46.340 409 1HB GLU 48 2HB GLU 48 -2.907 -23.421 46.940 410 2HB GLU 48 1HB GLU 48 -1.588 -22.410 47.504 411 1HG GLU 48 2HG GLU 48 -2.492 -21.525 45.460 412 2HG GLU 48 1HG GLU 48 -0.847 -22.090 45.196 413 H GLU 49 H GLU 49 0.005 -22.846 48.611 414 HA GLU 49 HA GLU 49 0.860 -24.799 50.457 415 1HB GLU 49 2HB GLU 49 1.911 -22.614 50.324 416 2HB GLU 49 1HB GLU 49 0.410 -21.835 50.797 417 1HG GLU 49 2HG GLU 49 0.551 -22.969 52.986 418 2HG GLU 49 1HG GLU 49 2.110 -23.641 52.507 419 H ILE 50 H ILE 50 -2.051 -22.902 50.226 420 HA ILE 50 HA ILE 50 -2.985 -23.754 52.848 421 HB ILE 50 HB ILE 50 -4.535 -22.124 50.832 422 1HG1 ILE 50 2HG1 ILE 50 -2.618 -21.135 52.955 423 2HG1 ILE 50 1HG1 ILE 50 -2.337 -21.070 51.218 424 1HG2 ILE 50 1HG2 ILE 50 -4.675 -22.287 53.843 425 2HG2 ILE 50 2HG2 ILE 50 -5.826 -22.996 52.708 426 3HG2 ILE 50 3HG2 ILE 50 -5.660 -21.243 52.819 427 1HD1 ILE 50 1HD1 ILE 50 -3.019 -18.910 52.110 428 2HD1 ILE 50 2HD1 ILE 50 -4.522 -19.618 52.704 429 3HD1 ILE 50 3HD1 ILE 50 -4.211 -19.531 50.969 430 H LYS 51 H LYS 51 -2.816 -25.195 49.982 431 HA LYS 51 HA LYS 51 -5.524 -26.270 49.842 432 1HB LYS 51 2HB LYS 51 -4.362 -25.542 47.785 433 2HB LYS 51 1HB LYS 51 -3.099 -26.719 48.088 434 1HG LYS 51 2HG LYS 51 -4.496 -27.625 46.425 435 2HG LYS 51 1HG LYS 51 -4.847 -28.502 47.911 436 1HD LYS 51 2HD LYS 51 -6.847 -27.175 48.257 437 2HD LYS 51 1HD LYS 51 -6.483 -26.212 46.822 438 1HE LYS 51 2HE LYS 51 -6.627 -28.269 45.456 439 2HE LYS 51 1HE LYS 51 -7.101 -29.163 46.900 440 1HZ LYS 51 1HZ LYS 51 -8.594 -26.877 45.732 441 2HZ LYS 51 2HZ LYS 51 -9.066 -27.790 47.086 442 3HZ LYS 51 3HZ LYS 51 -9.010 -28.513 45.559 443 H LYS 52 H LYS 52 -2.849 -26.900 51.541 444 HA LYS 52 HA LYS 52 -1.805 -28.606 52.545 445 1HB LYS 52 2HB LYS 52 -4.487 -29.858 52.055 446 2HB LYS 52 1HB LYS 52 -3.186 -30.718 52.837 447 1HG LYS 52 2HG LYS 52 -4.523 -29.894 54.574 448 2HG LYS 52 1HG LYS 52 -3.110 -28.843 54.527 449 1HD LYS 52 2HD LYS 52 -4.392 -27.173 53.283 450 2HD LYS 52 1HD LYS 52 -5.804 -28.232 53.306 451 1HE LYS 52 2HE LYS 52 -4.429 -27.066 55.728 452 2HE LYS 52 1HE LYS 52 -5.939 -26.490 55.027 453 1HZ LYS 52 1HZ LYS 52 -6.890 -28.709 55.488 454 2HZ LYS 52 2HZ LYS 52 -6.425 -27.882 56.892 455 3HZ LYS 52 3HZ LYS 52 -5.458 -29.134 56.293 456 H ILE 53 H ILE 53 -0.127 -29.286 51.468 457 HA ILE 53 HA ILE 53 -0.328 -30.188 48.754 458 HB ILE 53 HB ILE 53 2.125 -30.196 50.519 459 1HG1 ILE 53 2HG1 ILE 53 1.139 -28.007 48.675 460 2HG1 ILE 53 1HG1 ILE 53 1.029 -27.959 50.433 461 1HG2 ILE 53 1HG2 ILE 53 2.361 -31.507 48.475 462 2HG2 ILE 53 2HG2 ILE 53 3.335 -30.039 48.379 463 3HG2 ILE 53 3HG2 ILE 53 1.800 -30.135 47.517 464 1HD1 ILE 53 1HD1 ILE 53 2.907 -26.654 49.620 465 2HD1 ILE 53 2HD1 ILE 53 3.563 -28.083 48.819 466 3HD1 ILE 53 3HD1 ILE 53 3.461 -28.026 50.579 467 H ARG 54 H ARG 54 0.450 -31.664 51.867 468 HA ARG 54 HA ARG 54 -0.226 -34.247 50.698 469 1HB ARG 54 2HB ARG 54 1.621 -35.326 51.858 470 2HB ARG 54 1HB ARG 54 2.221 -34.137 50.719 471 1HG ARG 54 2HG ARG 54 2.630 -32.579 52.531 472 2HG ARG 54 1HG ARG 54 1.966 -33.733 53.691 473 1HD ARG 54 2HD ARG 54 3.729 -35.349 52.974 474 2HD ARG 54 1HD ARG 54 4.435 -34.066 51.993 475 HE ARG 54 HE ARG 54 4.232 -33.023 54.537 476 1HH1 ARG 54 1HH1 ARG 54 5.833 -35.747 53.014 477 2HH1 ARG 54 2HH1 ARG 54 7.126 -35.800 54.178 478 1HH2 ARG 54 1HH2 ARG 54 5.934 -33.098 56.069 479 2HH2 ARG 54 2HH2 ARG 54 7.182 -34.301 55.915 480 H ASP 55 H ASP 55 0.141 -35.786 52.957 481 HA ASP 55 HA ASP 55 -2.171 -35.285 54.433 482 1HB ASP 55 2HB ASP 55 -1.179 -37.498 54.240 483 2HB ASP 55 1HB ASP 55 0.222 -36.978 55.166 484 H GLY 56 H GLY 56 -2.459 -34.728 56.620 485 1HA GLY 56 2HA GLY 56 -0.346 -32.962 57.692 486 2HA GLY 56 1HA GLY 56 -2.029 -32.454 57.631 487 H THR 57 H THR 57 -0.571 -35.554 58.562 488 HA THR 57 HA THR 57 -1.843 -35.238 61.204 489 HB THR 57 HB THR 57 -1.057 -37.918 60.141 490 HG1 THR 57 HG1 THR 57 -2.259 -37.195 58.427 491 1HG2 THR 57 1HG2 THR 57 -3.359 -36.963 61.851 492 2HG2 THR 57 2HG2 THR 57 -1.869 -37.696 62.446 493 3HG2 THR 57 3HG2 THR 57 -2.988 -38.643 61.464 494 H TRP 58 H TRP 58 -0.545 -35.253 62.927 495 HA TRP 58 HA TRP 58 2.109 -36.469 62.749 496 1HB TRP 58 2HB TRP 58 2.118 -33.898 62.325 497 2HB TRP 58 1HB TRP 58 1.772 -33.769 64.044 498 HD1 TRP 58 HD1 TRP 58 4.466 -35.378 61.760 499 HE1 TRP 58 HE1 TRP 58 6.734 -35.222 62.976 500 HE3 TRP 58 HE3 TRP 58 2.889 -33.283 66.152 501 HZ2 TRP 58 HZ2 TRP 58 7.708 -34.333 65.463 502 HZ3 TRP 58 HZ3 TRP 58 4.557 -32.813 67.896 503 HH2 TRP 58 HH2 TRP 58 6.916 -33.328 67.556 504 H MET 59 H MET 59 2.998 -36.948 64.902 505 HA MET 59 HA MET 59 0.807 -37.815 66.589 506 1HB MET 59 2HB MET 59 2.476 -39.466 66.071 507 2HB MET 59 1HB MET 59 3.764 -38.420 66.656 508 1HG MET 59 2HG MET 59 2.963 -38.614 68.915 509 2HG MET 59 1HG MET 59 1.557 -39.531 68.372 510 1HE MET 59 1HE MET 59 3.081 -42.917 67.264 511 2HE MET 59 2HE MET 59 2.639 -41.532 66.266 512 3HE MET 59 3HE MET 59 1.602 -42.020 67.607 513 H SER 60 H SER 60 0.130 -36.749 68.275 514 HA SER 60 HA SER 60 1.749 -34.721 69.557 515 1HB SER 60 2HB SER 60 -0.680 -34.372 69.278 516 2HB SER 60 1HB SER 60 -0.999 -35.797 70.266 517 HG SER 60 HG SER 60 -0.872 -33.445 71.179 518 H SER 61 H SER 61 2.879 -34.975 71.398 519 HA SER 61 HA SER 61 3.246 -37.663 72.388 520 1HB SER 61 2HB SER 61 5.099 -35.941 72.023 521 2HB SER 61 1HB SER 61 4.510 -35.138 73.477 522 HG SER 61 HG SER 61 5.179 -37.894 73.472 523 H LEU 62 H LEU 62 0.942 -35.504 72.931 524 HA LEU 62 HA LEU 62 -0.610 -35.091 74.496 525 1HB LEU 62 2HB LEU 62 0.514 -37.538 75.853 526 2HB LEU 62 1HB LEU 62 -1.038 -36.796 76.155 527 HG LEU 62 HG LEU 62 -0.241 -38.077 73.549 528 1HD1 LEU 62 1HD1 LEU 62 -2.047 -39.107 75.734 529 2HD1 LEU 62 2HD1 LEU 62 -0.431 -39.710 75.365 530 3HD1 LEU 62 3HD1 LEU 62 -1.729 -39.889 74.185 531 1HD2 LEU 62 1HD2 LEU 62 -2.615 -37.886 73.004 532 2HD2 LEU 62 2HD2 LEU 62 -1.896 -36.302 73.290 533 3HD2 LEU 62 3HD2 LEU 62 -2.904 -37.052 74.530 534 H GLU 63 H GLU 63 -0.753 -35.208 77.170 535 HA GLU 63 HA GLU 63 1.339 -33.341 77.964 536 1HB GLU 63 2HB GLU 63 -1.462 -33.850 78.868 537 2HB GLU 63 1HB GLU 63 -0.325 -33.142 80.006 538 1HG GLU 63 2HG GLU 63 -0.892 -32.014 77.279 539 2HG GLU 63 1HG GLU 63 -1.697 -31.491 78.761 540 H HIS 64 H HIS 64 2.886 -33.871 79.302 541 HA HIS 64 HA HIS 64 2.491 -36.201 81.060 542 1HB HIS 64 2HB HIS 64 5.060 -36.243 81.134 543 2HB HIS 64 1HB HIS 64 4.275 -36.825 79.673 544 HD1 HIS 64 HD1 HIS 64 6.255 -33.863 80.964 545 HD2 HIS 64 HD2 HIS 64 4.924 -35.490 77.374 546 HE1 HIS 64 HE1 HIS 64 7.426 -32.567 79.152 547 HE2 HIS 64 HE2 HIS 64 6.706 -33.658 76.994 548 H HIS 65 H HIS 65 3.079 -32.854 80.855 549 HA HIS 65 HA HIS 65 3.281 -31.211 82.414 550 1HB HIS 65 2HB HIS 65 1.897 -33.402 83.876 551 2HB HIS 65 1HB HIS 65 2.531 -32.074 84.838 552 HD1 HIS 65 HD1 HIS 65 1.172 -29.976 84.916 553 HD2 HIS 65 HD2 HIS 65 -0.073 -32.569 81.911 554 HE1 HIS 65 HE1 HIS 65 -0.966 -28.997 84.012 555 HE2 HIS 65 HE2 HIS 65 -1.564 -30.461 82.055 556 H HIS 66 H HIS 66 3.910 -31.357 85.164 557 HA HIS 66 HA HIS 66 6.607 -32.526 85.182 558 1HB HIS 66 2HB HIS 66 5.807 -29.810 86.265 559 2HB HIS 66 1HB HIS 66 7.384 -30.559 86.481 560 HD1 HIS 66 HD1 HIS 66 5.619 -28.256 84.348 561 HD2 HIS 66 HD2 HIS 66 8.711 -31.002 83.849 562 HE1 HIS 66 HE1 HIS 66 6.774 -27.606 82.210 563 HE2 HIS 66 HE2 HIS 66 8.744 -29.170 82.024 564 H HIS 67 H HIS 67 7.349 -33.195 87.259 565 HA HIS 67 HA HIS 67 5.319 -33.148 89.372 566 1HB HIS 67 2HB HIS 67 6.088 -35.448 90.067 567 2HB HIS 67 1HB HIS 67 5.167 -35.380 88.574 568 HD1 HIS 67 HD1 HIS 67 6.107 -36.769 86.754 569 HD2 HIS 67 HD2 HIS 67 9.048 -35.557 89.439 570 HE1 HIS 67 HE1 HIS 67 8.230 -37.865 85.983 571 HE2 HIS 67 HE2 HIS 67 10.022 -36.976 87.507 572 H HIS 68 H HIS 68 6.011 -32.559 91.320 573 HA HIS 68 HA HIS 68 8.921 -32.365 91.764 574 1HB HIS 68 2HB HIS 68 6.866 -30.208 92.286 575 2HB HIS 68 1HB HIS 68 8.505 -30.173 92.919 576 HD1 HIS 68 HD1 HIS 68 7.125 -28.125 90.859 577 HD2 HIS 68 HD2 HIS 68 9.928 -31.074 89.993 578 HE1 HIS 68 HE1 HIS 68 8.243 -27.395 88.728 579 HE2 HIS 68 HE2 HIS 68 10.005 -29.137 88.275 580 H HIS 69 H HIS 69 9.277 -31.657 94.149 581 HA HIS 69 HA HIS 69 7.256 -32.621 96.004 582 1HB HIS 69 2HB HIS 69 9.967 -33.895 95.696 583 2HB HIS 69 1HB HIS 69 9.144 -33.894 97.250 584 HD1 HIS 69 HD1 HIS 69 9.614 -35.992 94.458 585 HD2 HIS 69 HD2 HIS 69 6.343 -35.028 96.837 586 HE1 HIS 69 HE1 HIS 69 7.961 -37.869 94.142 587 HE2 HIS 69 HE2 HIS 69 6.097 -37.369 95.764 588 1H MET 1 1H MET 1 -0.866 -20.271 6.418 589 2H MET 1 2H MET 1 0.611 -20.544 7.191 590 3H MET 1 3H MET 1 0.571 -19.767 5.684 591 HA MET 1 HA MET 1 -0.528 -18.699 8.226 592 1HB MET 1 2HB MET 1 1.819 -17.780 6.535 593 2HB MET 1 1HB MET 1 1.217 -16.978 7.976 594 1HG MET 1 2HG MET 1 1.838 -18.919 9.321 595 2HG MET 1 1HG MET 1 2.444 -19.720 7.871 596 1HE MET 1 1HE MET 1 4.790 -20.107 9.036 597 2HE MET 1 2HE MET 1 4.221 -19.300 10.497 598 3HE MET 1 3HE MET 1 5.749 -18.818 9.764 599 HA PRO 2 HA PRO 2 -2.724 -15.810 5.512 600 1HB PRO 2 2HB PRO 2 -2.398 -13.804 7.626 601 2HB PRO 2 1HB PRO 2 -3.883 -14.511 6.984 602 1HG PRO 2 2HG PRO 2 -2.978 -15.073 9.466 603 2HG PRO 2 1HG PRO 2 -3.863 -16.257 8.487 604 1HD PRO 2 2HD PRO 2 -0.917 -16.026 8.988 605 2HD PRO 2 1HD PRO 2 -1.937 -17.479 8.916 606 H LYS 3 H LYS 3 -1.021 -15.596 4.034 607 HA LYS 3 HA LYS 3 1.400 -14.255 4.835 608 1HB LYS 3 2HB LYS 3 0.596 -15.481 2.213 609 2HB LYS 3 1HB LYS 3 2.172 -14.793 2.545 610 1HG LYS 3 2HG LYS 3 2.502 -16.454 4.321 611 2HG LYS 3 1HG LYS 3 0.942 -17.173 3.901 612 1HD LYS 3 2HD LYS 3 3.196 -16.799 1.951 613 2HD LYS 3 1HD LYS 3 2.939 -18.290 2.864 614 1HE LYS 3 2HE LYS 3 0.714 -18.513 1.863 615 2HE LYS 3 1HE LYS 3 0.963 -17.026 0.955 616 1HZ LYS 3 1HZ LYS 3 1.373 -18.950 -0.423 617 2HZ LYS 3 2HZ LYS 3 2.522 -19.543 0.666 618 3HZ LYS 3 3HZ LYS 3 2.824 -18.107 -0.189 619 H ILE 4 H ILE 4 2.207 -12.391 4.112 620 HA ILE 4 HA ILE 4 0.602 -10.684 2.409 621 HB ILE 4 HB ILE 4 3.202 -10.255 3.864 622 1HG1 ILE 4 2HG1 ILE 4 1.837 -8.500 4.998 623 2HG1 ILE 4 1HG1 ILE 4 0.420 -9.191 4.245 624 1HG2 ILE 4 1HG2 ILE 4 1.714 -8.306 2.122 625 2HG2 ILE 4 2HG2 ILE 4 3.293 -9.021 1.790 626 3HG2 ILE 4 3HG2 ILE 4 3.094 -7.916 3.150 627 1HD1 ILE 4 1HD1 ILE 4 0.829 -11.284 5.434 628 2HD1 ILE 4 2HD1 ILE 4 0.668 -9.927 6.551 629 3HD1 ILE 4 3HD1 ILE 4 2.264 -10.579 6.180 630 H ILE 5 H ILE 5 1.109 -10.264 0.387 631 HA ILE 5 HA ILE 5 3.704 -11.142 -0.668 632 HB ILE 5 HB ILE 5 1.132 -11.056 -2.244 633 1HG1 ILE 5 2HG1 ILE 5 2.582 -13.426 -1.084 634 2HG1 ILE 5 1HG1 ILE 5 0.997 -12.843 -0.596 635 1HG2 ILE 5 1HG2 ILE 5 3.853 -12.127 -2.930 636 2HG2 ILE 5 2HG2 ILE 5 3.085 -10.691 -3.608 637 3HG2 ILE 5 3HG2 ILE 5 2.417 -12.291 -3.935 638 1HD1 ILE 5 1HD1 ILE 5 0.102 -13.444 -2.779 639 2HD1 ILE 5 2HD1 ILE 5 0.846 -14.835 -1.991 640 3HD1 ILE 5 3HD1 ILE 5 1.696 -13.999 -3.290 641 H GLU 6 H GLU 6 4.541 -9.712 -2.280 642 HA GLU 6 HA GLU 6 3.481 -7.002 -2.008 643 1HB GLU 6 2HB GLU 6 6.147 -8.063 -2.936 644 2HB GLU 6 1HB GLU 6 5.675 -6.389 -3.158 645 1HG GLU 6 2HG GLU 6 6.973 -6.382 -1.222 646 2HG GLU 6 1HG GLU 6 5.314 -6.318 -0.638 647 H ALA 7 H ALA 7 2.966 -5.791 -3.827 648 HA ALA 7 HA ALA 7 3.097 -7.124 -6.429 649 1HB ALA 7 1HB ALA 7 0.855 -7.582 -5.552 650 2HB ALA 7 2HB ALA 7 0.779 -6.484 -6.928 651 3HB ALA 7 3HB ALA 7 0.591 -5.859 -5.289 652 H VAL 8 H VAL 8 3.196 -5.705 -8.157 653 HA VAL 8 HA VAL 8 3.582 -2.889 -7.452 654 HB VAL 8 HB VAL 8 4.787 -2.794 -9.687 655 1HG1 VAL 8 1HG1 VAL 8 5.980 -2.733 -7.573 656 2HG1 VAL 8 2HG1 VAL 8 6.883 -3.681 -8.757 657 3HG1 VAL 8 3HG1 VAL 8 5.957 -4.495 -7.496 658 1HG2 VAL 8 1HG2 VAL 8 4.787 -5.788 -9.365 659 2HG2 VAL 8 2HG2 VAL 8 5.723 -4.879 -10.553 660 3HG2 VAL 8 3HG2 VAL 8 3.961 -4.886 -10.636 661 H TYR 9 H TYR 9 1.913 -1.707 -7.864 662 HA TYR 9 HA TYR 9 -0.225 -2.342 -9.635 663 1HB TYR 9 2HB TYR 9 -0.245 -0.871 -7.556 664 2HB TYR 9 1HB TYR 9 0.546 0.367 -8.515 665 HD1 TYR 9 HD1 TYR 9 -2.485 -1.816 -8.655 666 HD2 TYR 9 HD2 TYR 9 -0.779 1.999 -9.424 667 HE1 TYR 9 HE1 TYR 9 -4.700 -0.963 -9.275 668 HE2 TYR 9 HE2 TYR 9 -2.987 2.865 -10.065 669 HH TYR 9 HH TYR 9 -5.140 2.061 -10.819 670 H GLU 10 H GLU 10 0.325 -2.595 -11.730 671 HA GLU 10 HA GLU 10 1.906 -0.521 -13.050 672 1HB GLU 10 2HB GLU 10 1.042 -3.216 -14.067 673 2HB GLU 10 1HB GLU 10 2.116 -2.105 -14.880 674 1HG GLU 10 2HG GLU 10 3.758 -2.375 -13.094 675 2HG GLU 10 1HG GLU 10 2.676 -3.506 -12.280 676 H ASN 11 H ASN 11 0.681 1.041 -13.776 677 HA ASN 11 HA ASN 11 -0.670 2.144 -15.207 678 1HB ASN 11 2HB ASN 11 0.115 -0.083 -16.583 679 2HB ASN 11 1HB ASN 11 -1.636 -0.164 -16.716 680 1HD2 ASN 11 1HD2 ASN 11 -1.650 0.287 -18.903 681 2HD2 ASN 11 2HD2 ASN 11 -1.268 1.858 -19.524 682 H GLY 12 H GLY 12 -1.825 0.447 -12.869 683 1HA GLY 12 2HA GLY 12 -4.057 1.229 -12.130 684 2HA GLY 12 1HA GLY 12 -4.624 0.821 -13.742 685 H VAL 13 H VAL 13 -2.413 -1.485 -12.922 686 HA VAL 13 HA VAL 13 -4.421 -3.104 -11.467 687 HB VAL 13 HB VAL 13 -3.784 -5.107 -12.744 688 1HG1 VAL 13 1HG1 VAL 13 -4.822 -2.847 -14.449 689 2HG1 VAL 13 2HG1 VAL 13 -5.781 -3.861 -13.370 690 3HG1 VAL 13 3HG1 VAL 13 -5.015 -4.567 -14.793 691 1HG2 VAL 13 1HG2 VAL 13 -2.600 -4.867 -14.891 692 2HG2 VAL 13 2HG2 VAL 13 -1.582 -4.462 -13.509 693 3HG2 VAL 13 3HG2 VAL 13 -2.274 -3.177 -14.500 694 H PHE 14 H PHE 14 -3.616 -4.543 -9.934 695 HA PHE 14 HA PHE 14 -0.870 -3.981 -9.149 696 1HB PHE 14 2HB PHE 14 -3.009 -5.635 -7.804 697 2HB PHE 14 1HB PHE 14 -1.407 -5.373 -7.153 698 HD1 PHE 14 HD1 PHE 14 -0.743 -3.107 -6.402 699 HD2 PHE 14 HD2 PHE 14 -4.733 -4.030 -7.553 700 HE1 PHE 14 HE1 PHE 14 -1.548 -1.104 -5.219 701 HE2 PHE 14 HE2 PHE 14 -5.543 -2.022 -6.381 702 HZ PHE 14 HZ PHE 14 -3.943 -0.553 -5.208 703 H LYS 15 H LYS 15 0.722 -5.147 -9.917 704 HA LYS 15 HA LYS 15 0.255 -7.923 -10.750 705 1HB LYS 15 2HB LYS 15 2.481 -5.975 -11.392 706 2HB LYS 15 1HB LYS 15 2.409 -7.629 -11.959 707 1HG LYS 15 2HG LYS 15 0.303 -5.587 -12.575 708 2HG LYS 15 1HG LYS 15 1.710 -5.868 -13.597 709 1HD LYS 15 2HD LYS 15 0.920 -8.352 -13.522 710 2HD LYS 15 1HD LYS 15 -0.631 -7.640 -13.060 711 1HE LYS 15 2HE LYS 15 -0.501 -7.957 -15.478 712 2HE LYS 15 1HE LYS 15 -0.595 -6.244 -15.063 713 1HZ LYS 15 1HZ LYS 15 1.928 -7.691 -15.677 714 2HZ LYS 15 2HZ LYS 15 1.763 -6.025 -15.404 715 3HZ LYS 15 3HZ LYS 15 1.080 -6.731 -16.786 716 HA PRO 16 HA PRO 16 2.191 -9.083 -6.810 717 1HB PRO 16 2HB PRO 16 2.531 -11.421 -8.649 718 2HB PRO 16 1HB PRO 16 2.174 -11.419 -6.920 719 1HG PRO 16 2HG PRO 16 0.208 -11.750 -8.660 720 2HG PRO 16 1HG PRO 16 -0.033 -10.669 -7.275 721 1HD PRO 16 2HD PRO 16 0.383 -9.994 -10.139 722 2HD PRO 16 1HD PRO 16 -0.494 -9.101 -8.878 723 H LEU 17 H LEU 17 4.091 -9.813 -6.051 724 HA LEU 17 HA LEU 17 6.293 -10.358 -7.883 725 1HB LEU 17 2HB LEU 17 6.430 -9.066 -5.145 726 2HB LEU 17 1HB LEU 17 7.824 -9.708 -5.988 727 HG LEU 17 HG LEU 17 7.089 -8.034 -7.869 728 1HD1 LEU 17 1HD1 LEU 17 5.006 -7.339 -6.852 729 2HD1 LEU 17 2HD1 LEU 17 6.128 -5.982 -6.967 730 3HD1 LEU 17 3HD1 LEU 17 5.875 -6.788 -5.419 731 1HD2 LEU 17 1HD2 LEU 17 8.554 -6.348 -6.887 732 2HD2 LEU 17 2HD2 LEU 17 9.203 -7.972 -6.645 733 3HD2 LEU 17 3HD2 LEU 17 8.407 -7.131 -5.315 734 H GLN 18 H GLN 18 6.033 -12.393 -7.937 735 HA GLN 18 HA GLN 18 6.128 -14.615 -7.428 736 1HB GLN 18 2HB GLN 18 6.526 -15.434 -5.343 737 2HB GLN 18 1HB GLN 18 7.067 -13.790 -5.065 738 1HG GLN 18 2HG GLN 18 4.949 -13.211 -4.082 739 2HG GLN 18 1HG GLN 18 4.308 -14.799 -4.458 740 1HE2 GLN 18 1HE2 GLN 18 4.481 -13.440 -1.929 741 2HE2 GLN 18 2HE2 GLN 18 5.396 -14.449 -0.878 742 H LYS 19 H LYS 19 4.476 -16.172 -7.091 743 HA LYS 19 HA LYS 19 2.060 -15.018 -8.077 744 1HB LYS 19 2HB LYS 19 2.803 -17.903 -7.576 745 2HB LYS 19 1HB LYS 19 1.386 -17.351 -8.461 746 1HG LYS 19 2HG LYS 19 2.782 -16.328 -10.144 747 2HG LYS 19 1HG LYS 19 4.231 -16.762 -9.236 748 1HD LYS 19 2HD LYS 19 3.665 -19.140 -9.510 749 2HD LYS 19 1HD LYS 19 2.258 -18.680 -10.472 750 1HE LYS 19 2HE LYS 19 3.688 -17.636 -12.127 751 2HE LYS 19 1HE LYS 19 5.111 -17.972 -11.149 752 1HZ LYS 19 1HZ LYS 19 4.853 -20.292 -11.515 753 2HZ LYS 19 2HZ LYS 19 4.766 -19.524 -13.024 754 3HZ LYS 19 3HZ LYS 19 3.350 -20.083 -12.276 755 H VAL 20 H VAL 20 -0.074 -15.619 -7.376 756 HA VAL 20 HA VAL 20 -0.243 -15.828 -4.441 757 HB VAL 20 HB VAL 20 -2.279 -14.432 -6.170 758 1HG1 VAL 20 1HG1 VAL 20 -2.889 -13.342 -4.063 759 2HG1 VAL 20 2HG1 VAL 20 -1.634 -14.255 -3.229 760 3HG1 VAL 20 3HG1 VAL 20 -3.009 -15.097 -3.943 761 1HG2 VAL 20 1HG2 VAL 20 -1.244 -12.303 -5.551 762 2HG2 VAL 20 2HG2 VAL 20 -0.173 -13.285 -6.552 763 3HG2 VAL 20 3HG2 VAL 20 0.099 -13.169 -4.811 764 H ASP 21 H ASP 21 -1.969 -16.939 -3.584 765 HA ASP 21 HA ASP 21 -2.607 -19.282 -5.141 766 1HB ASP 21 2HB ASP 21 -2.941 -18.559 -2.238 767 2HB ASP 21 1HB ASP 21 -3.366 -20.110 -2.924 768 H LEU 22 H LEU 22 -4.037 -16.628 -5.411 769 HA LEU 22 HA LEU 22 -6.681 -17.176 -4.361 770 1HB LEU 22 2HB LEU 22 -5.493 -14.779 -5.743 771 2HB LEU 22 1HB LEU 22 -7.148 -14.873 -5.193 772 HG LEU 22 HG LEU 22 -4.708 -15.003 -3.427 773 1HD1 LEU 22 1HD1 LEU 22 -6.749 -12.838 -3.877 774 2HD1 LEU 22 2HD1 LEU 22 -5.045 -12.795 -4.329 775 3HD1 LEU 22 3HD1 LEU 22 -5.506 -12.820 -2.627 776 1HD2 LEU 22 1HD2 LEU 22 -6.293 -14.896 -1.573 777 2HD2 LEU 22 2HD2 LEU 22 -6.566 -16.338 -2.552 778 3HD2 LEU 22 3HD2 LEU 22 -7.640 -14.949 -2.712 779 H LYS 23 H LYS 23 -8.561 -16.801 -5.703 780 HA LYS 23 HA LYS 23 -8.222 -17.852 -8.407 781 1HB LYS 23 2HB LYS 23 -10.521 -17.776 -6.484 782 2HB LYS 23 1HB LYS 23 -10.826 -17.946 -8.203 783 1HG LYS 23 2HG LYS 23 -10.825 -20.110 -7.228 784 2HG LYS 23 1HG LYS 23 -9.367 -19.952 -8.207 785 1HD LYS 23 2HD LYS 23 -8.867 -21.040 -6.107 786 2HD LYS 23 1HD LYS 23 -8.073 -19.472 -6.178 787 1HE LYS 23 2HE LYS 23 -9.059 -19.868 -3.974 788 2HE LYS 23 1HE LYS 23 -9.821 -18.502 -4.788 789 1HZ LYS 23 1HZ LYS 23 -10.929 -21.254 -4.547 790 2HZ LYS 23 2HZ LYS 23 -11.648 -19.999 -5.431 791 3HZ LYS 23 3HZ LYS 23 -11.489 -19.863 -3.750 792 H GLU 24 H GLU 24 -10.012 -16.993 -9.919 793 HA GLU 24 HA GLU 24 -9.488 -14.262 -10.389 794 1HB GLU 24 2HB GLU 24 -11.834 -15.727 -11.556 795 2HB GLU 24 1HB GLU 24 -10.866 -14.464 -12.271 796 1HG GLU 24 2HG GLU 24 -10.194 -16.331 -13.434 797 2HG GLU 24 1HG GLU 24 -8.947 -16.175 -12.195 798 H GLY 25 H GLY 25 -10.396 -12.526 -9.583 799 1HA GLY 25 2HA GLY 25 -12.102 -11.118 -8.856 800 2HA GLY 25 1HA GLY 25 -13.195 -12.495 -8.822 801 H GLU 26 H GLU 26 -10.192 -13.060 -7.293 802 HA GLU 26 HA GLU 26 -11.470 -13.363 -4.756 803 1HB GLU 26 2HB GLU 26 -8.821 -13.883 -5.848 804 2HB GLU 26 1HB GLU 26 -8.765 -13.284 -4.192 805 1HG GLU 26 2HG GLU 26 -10.225 -15.700 -5.209 806 2HG GLU 26 1HG GLU 26 -8.831 -15.658 -4.137 807 H ARG 27 H ARG 27 -11.488 -12.089 -2.989 808 HA ARG 27 HA ARG 27 -10.652 -9.344 -3.498 809 1HB ARG 27 2HB ARG 27 -12.781 -10.507 -1.765 810 2HB ARG 27 1HB ARG 27 -12.178 -8.878 -1.483 811 1HG ARG 27 2HG ARG 27 -12.710 -8.310 -3.813 812 2HG ARG 27 1HG ARG 27 -13.396 -9.922 -4.020 813 1HD ARG 27 2HD ARG 27 -15.128 -8.346 -3.588 814 2HD ARG 27 1HD ARG 27 -14.987 -9.451 -2.233 815 HE ARG 27 HE ARG 27 -13.533 -7.424 -1.359 816 1HH1 ARG 27 1HH1 ARG 27 -16.649 -7.444 -2.968 817 2HH1 ARG 27 2HH1 ARG 27 -17.177 -5.961 -2.227 818 1HH2 ARG 27 1HH2 ARG 27 -14.231 -5.506 -0.364 819 2HH2 ARG 27 2HH2 ARG 27 -15.818 -4.877 -0.719 820 H VAL 28 H VAL 28 -9.512 -8.209 -2.242 821 HA VAL 28 HA VAL 28 -8.300 -9.294 0.177 822 HB VAL 28 HB VAL 28 -5.982 -8.960 -0.679 823 1HG1 VAL 28 1HG1 VAL 28 -6.867 -11.208 -0.529 824 2HG1 VAL 28 2HG1 VAL 28 -5.852 -11.057 -1.963 825 3HG1 VAL 28 3HG1 VAL 28 -7.610 -11.054 -2.121 826 1HG2 VAL 28 1HG2 VAL 28 -7.342 -8.789 -3.368 827 2HG2 VAL 28 2HG2 VAL 28 -5.602 -8.916 -3.103 828 3HG2 VAL 28 3HG2 VAL 28 -6.477 -7.488 -2.550 829 H LYS 29 H LYS 29 -6.543 -7.655 0.962 830 HA LYS 29 HA LYS 29 -7.434 -4.947 0.270 831 1HB LYS 29 2HB LYS 29 -6.909 -6.112 2.990 832 2HB LYS 29 1HB LYS 29 -7.009 -4.392 2.675 833 1HG LYS 29 2HG LYS 29 -9.278 -4.654 1.842 834 2HG LYS 29 1HG LYS 29 -9.184 -6.391 2.137 835 1HD LYS 29 2HD LYS 29 -8.709 -5.811 4.544 836 2HD LYS 29 1HD LYS 29 -9.178 -4.160 4.145 837 1HE LYS 29 2HE LYS 29 -11.370 -4.827 3.536 838 2HE LYS 29 1HE LYS 29 -10.934 -6.533 3.585 839 1HZ LYS 29 1HZ LYS 29 -12.173 -5.981 5.530 840 2HZ LYS 29 2HZ LYS 29 -11.145 -4.688 5.902 841 3HZ LYS 29 3HZ LYS 29 -10.570 -6.287 5.993 842 H ILE 30 H ILE 30 -5.902 -3.424 0.213 843 HA ILE 30 HA ILE 30 -3.100 -4.272 0.474 844 HB ILE 30 HB ILE 30 -3.961 -2.867 -2.030 845 1HG1 ILE 30 2HG1 ILE 30 -3.878 -5.875 -1.685 846 2HG1 ILE 30 1HG1 ILE 30 -5.327 -4.922 -1.958 847 1HG2 ILE 30 1HG2 ILE 30 -1.922 -3.920 -2.915 848 2HG2 ILE 30 2HG2 ILE 30 -1.647 -4.658 -1.337 849 3HG2 ILE 30 3HG2 ILE 30 -1.614 -2.903 -1.508 850 1HD1 ILE 30 1HD1 ILE 30 -4.490 -4.268 -4.154 851 2HD1 ILE 30 2HD1 ILE 30 -4.607 -6.021 -3.994 852 3HD1 ILE 30 3HD1 ILE 30 -3.036 -5.228 -3.878 853 H LYS 31 H LYS 31 -1.677 -2.516 0.718 854 HA LYS 31 HA LYS 31 -2.753 0.152 0.537 855 1HB LYS 31 2HB LYS 31 -2.230 0.776 2.678 856 2HB LYS 31 1HB LYS 31 -3.018 -0.770 2.880 857 1HG LYS 31 2HG LYS 31 -0.048 -0.522 2.723 858 2HG LYS 31 1HG LYS 31 -0.937 -0.276 4.212 859 1HD LYS 31 2HD LYS 31 -1.292 -2.753 2.572 860 2HD LYS 31 1HD LYS 31 0.002 -2.608 3.758 861 1HE LYS 31 2HE LYS 31 -2.943 -2.298 4.322 862 2HE LYS 31 1HE LYS 31 -1.977 -3.728 4.688 863 1HZ LYS 31 1HZ LYS 31 -0.541 -2.122 6.037 864 2HZ LYS 31 2HZ LYS 31 -2.041 -2.568 6.682 865 3HZ LYS 31 3HZ LYS 31 -1.859 -1.054 5.942 866 H LEU 32 H LEU 32 -1.128 1.768 0.455 867 HA LEU 32 HA LEU 32 1.318 0.943 -0.795 868 1HB LEU 32 2HB LEU 32 0.486 3.676 0.186 869 2HB LEU 32 1HB LEU 32 1.770 3.325 -0.950 870 HG LEU 32 HG LEU 32 -1.142 2.766 -1.488 871 1HD1 LEU 32 1HD1 LEU 32 -1.070 4.748 -2.925 872 2HD1 LEU 32 2HD1 LEU 32 0.557 5.103 -2.341 873 3HD1 LEU 32 3HD1 LEU 32 -0.812 5.153 -1.228 874 1HD2 LEU 32 1HD2 LEU 32 1.259 2.853 -3.309 875 2HD2 LEU 32 2HD2 LEU 32 -0.408 2.548 -3.799 876 3HD2 LEU 32 3HD2 LEU 32 0.431 1.395 -2.762 877 H GLU 33 H GLU 33 3.209 0.548 0.268 878 HA GLU 33 HA GLU 33 3.057 0.413 3.098 879 1HB GLU 33 2HB GLU 33 5.182 -0.190 1.114 880 2HB GLU 33 1HB GLU 33 5.577 -0.120 2.815 881 1HG GLU 33 2HG GLU 33 3.509 -1.890 1.551 882 2HG GLU 33 1HG GLU 33 5.088 -2.390 2.155 883 H LEU 34 H LEU 34 4.268 1.404 4.635 884 HA LEU 34 HA LEU 34 4.805 4.217 3.968 885 1HB LEU 34 2HB LEU 34 3.728 2.966 6.491 886 2HB LEU 34 1HB LEU 34 4.211 4.646 6.370 887 HG LEU 34 HG LEU 34 2.098 3.433 4.627 888 1HD1 LEU 34 1HD1 LEU 34 1.415 3.216 6.951 889 2HD1 LEU 34 2HD1 LEU 34 0.463 4.456 6.133 890 3HD1 LEU 34 3HD1 LEU 34 1.770 4.921 7.223 891 1HD2 LEU 34 1HD2 LEU 34 3.121 5.474 3.781 892 2HD2 LEU 34 2HD2 LEU 34 2.783 6.285 5.310 893 3HD2 LEU 34 3HD2 LEU 34 1.452 5.765 4.276 894 H LYS 35 H LYS 35 6.031 5.252 5.878 895 HA LYS 35 HA LYS 35 8.293 3.596 6.711 896 1HB LYS 35 2HB LYS 35 8.284 6.123 5.132 897 2HB LYS 35 1HB LYS 35 9.560 5.873 6.298 898 1HG LYS 35 2HG LYS 35 10.471 5.103 4.300 899 2HG LYS 35 1HG LYS 35 9.948 3.632 5.117 900 1HD LYS 35 2HD LYS 35 7.935 3.564 3.762 901 2HD LYS 35 1HD LYS 35 8.375 5.090 2.995 902 1HE LYS 35 2HE LYS 35 10.420 4.011 2.121 903 2HE LYS 35 1HE LYS 35 9.876 2.482 2.811 904 1HZ LYS 35 1HZ LYS 35 7.965 2.511 1.386 905 2HZ LYS 35 2HZ LYS 35 9.344 2.720 0.433 906 3HZ LYS 35 3HZ LYS 35 8.355 4.053 0.797 907 H VAL 36 H VAL 36 9.720 5.394 8.084 908 HA VAL 36 HA VAL 36 10.019 6.527 9.976 909 HB VAL 36 HB VAL 36 8.556 8.114 8.528 910 1HG1 VAL 36 1HG1 VAL 36 6.748 7.659 10.902 911 2HG1 VAL 36 2HG1 VAL 36 6.363 7.335 9.212 912 3HG1 VAL 36 3HG1 VAL 36 6.599 8.994 9.759 913 1HG2 VAL 36 1HG2 VAL 36 10.254 8.849 10.070 914 2HG2 VAL 36 2HG2 VAL 36 9.171 8.581 11.435 915 3HG2 VAL 36 3HG2 VAL 36 8.811 9.846 10.264 916 H GLU 37 H GLU 37 9.359 6.919 12.159 917 HA GLU 37 HA GLU 37 7.539 4.859 13.166 918 1HB GLU 37 2HB GLU 37 10.015 6.136 14.321 919 2HB GLU 37 1HB GLU 37 8.899 5.206 15.285 920 1HG GLU 37 2HG GLU 37 10.644 3.735 14.750 921 2HG GLU 37 1HG GLU 37 9.304 3.286 13.696 922 HA PRO 38 HA PRO 38 5.230 8.136 15.171 923 1HB PRO 38 2HB PRO 38 5.089 6.740 17.723 924 2HB PRO 38 1HB PRO 38 3.811 7.010 16.536 925 1HG PRO 38 2HG PRO 38 4.865 4.563 17.039 926 2HG PRO 38 1HG PRO 38 4.227 5.030 15.451 927 1HD PRO 38 2HD PRO 38 7.072 4.919 16.392 928 2HD PRO 38 1HD PRO 38 6.377 4.410 14.840 929 H ILE 39 H ILE 39 5.068 9.008 17.719 930 HA ILE 39 HA ILE 39 7.708 10.197 18.107 931 HB ILE 39 HB ILE 39 5.129 10.998 19.479 932 1HG1 ILE 39 2HG1 ILE 39 5.378 13.004 17.822 933 2HG1 ILE 39 1HG1 ILE 39 6.296 11.862 16.856 934 1HG2 ILE 39 1HG2 ILE 39 6.291 13.093 19.933 935 2HG2 ILE 39 2HG2 ILE 39 7.738 12.462 19.147 936 3HG2 ILE 39 3HG2 ILE 39 7.142 11.716 20.632 937 1HD1 ILE 39 1HD1 ILE 39 4.380 10.365 16.778 938 2HD1 ILE 39 2HD1 ILE 39 3.976 11.963 16.145 939 3HD1 ILE 39 3HD1 ILE 39 3.456 11.498 17.763 940 H ASP 40 H ASP 40 8.673 10.294 20.177 941 HA ASP 40 HA ASP 40 7.760 8.235 22.065 942 1HB ASP 40 2HB ASP 40 9.585 7.254 20.862 943 2HB ASP 40 1HB ASP 40 10.564 8.705 21.040 944 H LEU 41 H LEU 41 8.067 8.674 24.226 945 HA LEU 41 HA LEU 41 9.266 11.253 24.920 946 1HB LEU 41 2HB LEU 41 6.760 11.448 24.702 947 2HB LEU 41 1HB LEU 41 6.611 10.288 26.005 948 HG LEU 41 HG LEU 41 8.166 12.810 26.460 949 1HD1 LEU 41 1HD1 LEU 41 6.102 13.911 27.201 950 2HD1 LEU 41 2HD1 LEU 41 5.162 12.556 26.577 951 3HD1 LEU 41 3HD1 LEU 41 6.089 13.572 25.471 952 1HD2 LEU 41 1HD2 LEU 41 8.192 11.048 28.171 953 2HD2 LEU 41 2HD2 LEU 41 6.431 11.108 28.255 954 3HD2 LEU 41 3HD2 LEU 41 7.385 12.507 28.746 955 H GLY 42 H GLY 42 10.461 11.177 26.752 956 1HA GLY 42 2HA GLY 42 10.443 8.652 28.238 957 2HA GLY 42 1HA GLY 42 11.933 9.453 27.747 958 H GLU 43 H GLU 43 11.165 8.806 30.342 959 HA GLU 43 HA GLU 43 10.160 11.062 31.736 960 1HB GLU 43 2HB GLU 43 11.024 9.826 33.771 961 2HB GLU 43 1HB GLU 43 9.827 8.985 32.807 962 1HG GLU 43 2HG GLU 43 12.785 8.494 32.567 963 2HG GLU 43 1HG GLU 43 11.738 7.600 33.664 964 HA PRO 44 HA PRO 44 13.779 13.564 31.560 965 1HB PRO 44 2HB PRO 44 12.612 14.907 33.922 966 2HB PRO 44 1HB PRO 44 13.013 15.570 32.334 967 1HG PRO 44 2HG PRO 44 10.472 15.179 33.070 968 2HG PRO 44 1HG PRO 44 11.002 14.900 31.401 969 1HD PRO 44 2HD PRO 44 10.482 12.914 33.582 970 2HD PRO 44 1HD PRO 44 10.063 12.828 31.857 971 H VAL 45 H VAL 45 15.614 14.166 32.862 972 HA VAL 45 HA VAL 45 16.484 12.092 34.553 973 HB VAL 45 HB VAL 45 18.187 13.166 33.427 974 1HG1 VAL 45 1HG1 VAL 45 18.636 15.589 33.517 975 2HG1 VAL 45 2HG1 VAL 45 17.187 15.800 34.500 976 3HG1 VAL 45 3HG1 VAL 45 17.048 15.230 32.836 977 1HG2 VAL 45 1HG2 VAL 45 18.852 12.660 35.696 978 2HG2 VAL 45 2HG2 VAL 45 18.317 14.255 36.223 979 3HG2 VAL 45 3HG2 VAL 45 19.682 14.106 35.116 980 H SER 46 H SER 46 16.700 11.895 36.644 981 HA SER 46 HA SER 46 15.329 13.839 38.365 982 1HB SER 46 2HB SER 46 15.561 10.833 38.634 983 2HB SER 46 1HB SER 46 14.766 11.893 39.781 984 HG SER 46 HG SER 46 13.357 12.530 38.054 985 H VAL 47 H VAL 47 16.065 13.395 40.761 986 HA VAL 47 HA VAL 47 18.926 13.759 40.827 987 HB VAL 47 HB VAL 47 16.986 13.564 43.136 988 1HG1 VAL 47 1HG1 VAL 47 19.263 13.147 43.827 989 2HG1 VAL 47 2HG1 VAL 47 18.739 14.731 44.400 990 3HG1 VAL 47 3HG1 VAL 47 19.807 14.609 43.002 991 1HG2 VAL 47 1HG2 VAL 47 17.073 16.017 43.188 992 2HG2 VAL 47 2HG2 VAL 47 16.381 15.416 41.681 993 3HG2 VAL 47 3HG2 VAL 47 18.043 16.006 41.717 994 H GLU 48 H GLU 48 20.357 12.213 41.152 995 HA GLU 48 HA GLU 48 19.365 9.529 41.781 996 1HB GLU 48 2HB GLU 48 20.639 9.987 39.629 997 2HB GLU 48 1HB GLU 48 22.058 10.267 40.629 998 1HG GLU 48 2HG GLU 48 21.935 7.991 39.653 999 2HG GLU 48 1HG GLU 48 22.037 8.015 41.415 1000 H GLU 49 H GLU 49 20.765 8.163 43.122 1001 HA GLU 49 HA GLU 49 21.206 9.301 45.627 1002 1HB GLU 49 2HB GLU 49 22.242 7.145 46.222 1003 2HB GLU 49 1HB GLU 49 20.732 6.936 45.342 1004 1HG GLU 49 2HG GLU 49 21.976 6.495 43.295 1005 2HG GLU 49 1HG GLU 49 23.493 6.727 44.162 1006 H ILE 50 H ILE 50 23.301 9.081 42.921 1007 HA ILE 50 HA ILE 50 25.759 9.209 44.381 1008 HB ILE 50 HB ILE 50 25.542 8.129 42.148 1009 1HG1 ILE 50 2HG1 ILE 50 27.535 10.397 42.247 1010 2HG1 ILE 50 1HG1 ILE 50 27.743 8.830 43.023 1011 1HG2 ILE 50 1HG2 ILE 50 24.060 9.707 41.078 1012 2HG2 ILE 50 2HG2 ILE 50 25.550 9.563 40.142 1013 3HG2 ILE 50 3HG2 ILE 50 25.290 10.968 41.175 1014 1HD1 ILE 50 1HD1 ILE 50 27.545 9.340 40.058 1015 2HD1 ILE 50 2HD1 ILE 50 27.740 7.761 40.818 1016 3HD1 ILE 50 3HD1 ILE 50 29.013 8.971 40.962 1017 H LYS 51 H LYS 51 23.430 11.461 43.744 1018 HA LYS 51 HA LYS 51 25.164 13.723 43.269 1019 1HB LYS 51 2HB LYS 51 22.899 13.629 42.300 1020 2HB LYS 51 1HB LYS 51 22.208 13.622 43.916 1021 1HG LYS 51 2HG LYS 51 22.587 15.842 44.240 1022 2HG LYS 51 1HG LYS 51 24.012 15.868 43.198 1023 1HD LYS 51 2HD LYS 51 21.192 15.536 42.179 1024 2HD LYS 51 1HD LYS 51 22.026 17.089 42.289 1025 1HE LYS 51 2HE LYS 51 23.742 16.329 40.780 1026 2HE LYS 51 1HE LYS 51 23.049 14.709 40.747 1027 1HZ LYS 51 1HZ LYS 51 21.655 17.150 39.782 1028 2HZ LYS 51 2HZ LYS 51 21.130 15.542 39.629 1029 3HZ LYS 51 3HZ LYS 51 22.502 16.066 38.786 1030 H LYS 52 H LYS 52 25.384 15.520 44.730 1031 HA LYS 52 HA LYS 52 26.088 14.576 47.320 1032 1HB LYS 52 2HB LYS 52 27.276 16.329 45.920 1033 2HB LYS 52 1HB LYS 52 26.033 17.456 46.425 1034 1HG LYS 52 2HG LYS 52 27.808 15.959 48.340 1035 2HG LYS 52 1HG LYS 52 28.189 17.558 47.702 1036 1HD LYS 52 2HD LYS 52 26.067 18.398 48.670 1037 2HD LYS 52 1HD LYS 52 25.792 16.803 49.374 1038 1HE LYS 52 2HE LYS 52 28.069 18.687 49.972 1039 2HE LYS 52 1HE LYS 52 26.737 18.262 51.044 1040 1HZ LYS 52 1HZ LYS 52 29.033 16.609 50.205 1041 2HZ LYS 52 2HZ LYS 52 27.613 15.882 50.771 1042 3HZ LYS 52 3HZ LYS 52 28.475 16.945 51.770 1043 H ILE 53 H ILE 53 24.501 14.118 48.683 1044 HA ILE 53 HA ILE 53 22.508 16.165 49.253 1045 HB ILE 53 HB ILE 53 21.376 14.178 48.647 1046 1HG1 ILE 53 2HG1 ILE 53 21.537 14.015 51.638 1047 2HG1 ILE 53 1HG1 ILE 53 20.763 15.339 50.791 1048 1HG2 ILE 53 1HG2 ILE 53 21.862 11.974 49.575 1049 2HG2 ILE 53 2HG2 ILE 53 23.192 12.653 50.511 1050 3HG2 ILE 53 3HG2 ILE 53 23.275 12.637 48.749 1051 1HD1 ILE 53 1HD1 ILE 53 19.112 13.716 51.509 1052 2HD1 ILE 53 2HD1 ILE 53 19.976 12.439 50.655 1053 3HD1 ILE 53 3HD1 ILE 53 19.210 13.741 49.747 1054 H ARG 54 H ARG 54 22.552 17.097 51.244 1055 HA ARG 54 HA ARG 54 24.859 16.605 52.878 1056 1HB ARG 54 2HB ARG 54 23.860 18.886 52.467 1057 2HB ARG 54 1HB ARG 54 22.515 18.412 53.496 1058 1HG ARG 54 2HG ARG 54 24.203 17.985 55.315 1059 2HG ARG 54 1HG ARG 54 25.401 18.752 54.272 1060 1HD ARG 54 2HD ARG 54 24.560 20.386 55.822 1061 2HD ARG 54 1HD ARG 54 23.974 20.779 54.205 1062 HE ARG 54 HE ARG 54 21.801 20.078 54.846 1063 1HH1 ARG 54 1HH1 ARG 54 24.123 19.964 57.475 1064 2HH1 ARG 54 2HH1 ARG 54 22.901 19.957 58.716 1065 1HH2 ARG 54 1HH2 ARG 54 20.197 20.009 56.476 1066 2HH2 ARG 54 2HH2 ARG 54 20.678 19.984 58.151 1067 H ASP 55 H ASP 55 24.931 15.771 54.942 1068 HA ASP 55 HA ASP 55 22.587 14.246 55.807 1069 1HB ASP 55 2HB ASP 55 25.517 14.030 56.324 1070 2HB ASP 55 1HB ASP 55 24.416 13.473 57.578 1071 H GLY 56 H GLY 56 22.246 14.172 58.238 1072 1HA GLY 56 2HA GLY 56 22.322 16.958 59.220 1073 2HA GLY 56 1HA GLY 56 21.086 15.780 59.640 1074 H THR 57 H THR 57 24.629 16.069 59.771 1075 HA THR 57 HA THR 57 24.734 14.401 62.107 1076 HB THR 57 HB THR 57 27.236 15.115 61.911 1077 HG1 THR 57 HG1 THR 57 27.557 15.558 59.514 1078 1HG2 THR 57 1HG2 THR 57 26.413 12.884 61.387 1079 2HG2 THR 57 2HG2 THR 57 27.588 13.397 60.177 1080 3HG2 THR 57 3HG2 THR 57 25.864 13.439 59.806 1081 H TRP 58 H TRP 58 23.962 15.368 63.914 1082 HA TRP 58 HA TRP 58 24.710 18.069 64.583 1083 1HB TRP 58 2HB TRP 58 23.320 17.417 66.656 1084 2HB TRP 58 1HB TRP 58 22.485 17.648 65.139 1085 HD1 TRP 58 HD1 TRP 58 24.137 14.571 66.894 1086 HE1 TRP 58 HE1 TRP 58 22.502 12.591 66.707 1087 HE3 TRP 58 HE3 TRP 58 20.349 16.881 64.344 1088 HZ2 TRP 58 HZ2 TRP 58 19.944 12.086 65.649 1089 HZ3 TRP 58 HZ3 TRP 58 18.339 15.574 63.789 1090 HH2 TRP 58 HH2 TRP 58 18.143 13.221 64.429 1091 H MET 59 H MET 59 25.879 18.623 66.464 1092 HA MET 59 HA MET 59 27.193 16.446 67.903 1093 1HB MET 59 2HB MET 59 28.704 17.106 66.051 1094 2HB MET 59 1HB MET 59 28.695 18.757 66.659 1095 1HG MET 59 2HG MET 59 29.741 18.019 68.725 1096 2HG MET 59 1HG MET 59 29.721 16.351 68.149 1097 1HE MET 59 1HE MET 59 32.350 17.691 69.224 1098 2HE MET 59 2HE MET 59 33.527 17.206 68.000 1099 3HE MET 59 3HE MET 59 32.309 16.061 68.564 1100 H SER 60 H SER 60 27.067 16.796 70.008 1101 HA SER 60 HA SER 60 26.878 19.568 70.980 1102 1HB SER 60 2HB SER 60 25.767 18.414 73.011 1103 2HB SER 60 1HB SER 60 24.818 18.565 71.532 1104 HG SER 60 HG SER 60 24.727 16.476 71.439 1105 H SER 61 H SER 61 27.786 19.821 73.261 1106 HA SER 61 HA SER 61 30.357 18.424 73.284 1107 1HB SER 61 2HB SER 61 29.547 20.910 74.795 1108 2HB SER 61 1HB SER 61 31.186 20.293 74.571 1109 HG SER 61 HG SER 61 31.239 21.100 72.609 1110 H LEU 62 H LEU 62 27.450 18.168 74.759 1111 HA LEU 62 HA LEU 62 26.608 17.413 76.713 1112 1HB LEU 62 2HB LEU 62 29.019 15.654 76.341 1113 2HB LEU 62 1HB LEU 62 27.803 15.376 77.562 1114 HG LEU 62 HG LEU 62 26.122 15.322 75.604 1115 1HD1 LEU 62 1HD1 LEU 62 28.680 14.808 74.103 1116 2HD1 LEU 62 2HD1 LEU 62 27.620 16.201 73.896 1117 3HD1 LEU 62 3HD1 LEU 62 27.047 14.587 73.477 1118 1HD2 LEU 62 1HD2 LEU 62 26.533 12.943 75.252 1119 2HD2 LEU 62 2HD2 LEU 62 26.736 13.378 76.949 1120 3HD2 LEU 62 3HD2 LEU 62 28.152 13.115 75.933 1121 H GLU 63 H GLU 63 26.863 19.272 78.001 1122 HA GLU 63 HA GLU 63 29.281 19.724 79.488 1123 1HB GLU 63 2HB GLU 63 27.192 21.305 78.734 1124 2HB GLU 63 1HB GLU 63 26.786 21.002 80.418 1125 1HG GLU 63 2HG GLU 63 29.292 22.259 79.338 1126 2HG GLU 63 1HG GLU 63 28.033 23.023 80.309 1127 H HIS 64 H HIS 64 29.670 19.297 81.664 1128 HA HIS 64 HA HIS 64 27.650 17.760 83.115 1129 1HB HIS 64 2HB HIS 64 30.351 16.701 82.303 1130 2HB HIS 64 1HB HIS 64 29.467 16.041 83.673 1131 HD1 HIS 64 HD1 HIS 64 30.011 15.415 80.225 1132 HD2 HIS 64 HD2 HIS 64 26.689 15.228 82.728 1133 HE1 HIS 64 HE1 HIS 64 28.370 13.896 79.070 1134 HE2 HIS 64 HE2 HIS 64 26.314 13.903 80.531 1135 H HIS 65 H HIS 65 28.898 20.412 83.537 1136 HA HIS 65 HA HIS 65 30.432 19.945 85.993 1137 1HB HIS 65 2HB HIS 65 29.832 22.416 84.383 1138 2HB HIS 65 1HB HIS 65 30.470 22.524 86.019 1139 HD1 HIS 65 HD1 HIS 65 31.423 21.582 82.530 1140 HD2 HIS 65 HD2 HIS 65 33.151 21.773 86.313 1141 HE1 HIS 65 HE1 HIS 65 33.902 21.362 82.163 1142 HE2 HIS 65 HE2 HIS 65 34.895 21.246 84.475 1143 H HIS 66 H HIS 66 29.846 21.397 87.890 1144 HA HIS 66 HA HIS 66 27.008 21.961 88.141 1145 1HB HIS 66 2HB HIS 66 27.197 19.574 88.780 1146 2HB HIS 66 1HB HIS 66 28.378 20.012 90.011 1147 HD1 HIS 66 HD1 HIS 66 24.718 20.293 89.198 1148 HD2 HIS 66 HD2 HIS 66 27.310 21.024 92.369 1149 HE1 HIS 66 HE1 HIS 66 23.245 20.786 91.183 1150 HE2 HIS 66 HE2 HIS 66 24.842 21.433 93.026 1151 H HIS 67 H HIS 67 26.912 23.908 88.981 1152 HA HIS 67 HA HIS 67 29.006 25.222 90.330 1153 1HB HIS 67 2HB HIS 67 27.282 26.486 89.191 1154 2HB HIS 67 1HB HIS 67 26.035 25.800 90.225 1155 HD1 HIS 67 HD1 HIS 67 28.763 28.379 90.189 1156 HD2 HIS 67 HD2 HIS 67 25.762 27.013 92.723 1157 HE1 HIS 67 HE1 HIS 67 28.594 30.085 92.022 1158 HE2 HIS 67 HE2 HIS 67 26.610 29.358 93.402 1159 H HIS 68 H HIS 68 29.651 25.181 92.388 1160 HA HIS 68 HA HIS 68 28.125 23.537 94.283 1161 1HB HIS 68 2HB HIS 68 30.980 24.531 94.366 1162 2HB HIS 68 1HB HIS 68 30.231 23.525 95.599 1163 HD1 HIS 68 HD1 HIS 68 32.138 23.340 92.506 1164 HD2 HIS 68 HD2 HIS 68 29.493 20.870 94.562 1165 HE1 HIS 68 HE1 HIS 68 32.500 21.035 91.574 1166 HE2 HIS 68 HE2 HIS 68 31.027 19.529 92.958 1167 H HIS 69 H HIS 69 28.215 24.258 96.594 1168 HA HIS 69 HA HIS 69 28.560 27.103 97.019 1169 1HB HIS 69 2HB HIS 69 26.202 26.960 96.339 1170 2HB HIS 69 1HB HIS 69 25.911 25.734 97.568 1171 HD1 HIS 69 HD1 HIS 69 25.016 26.587 99.702 1172 HD2 HIS 69 HD2 HIS 69 27.089 29.529 97.619 1173 HE1 HIS 69 HE1 HIS 69 24.717 28.698 101.036 1174 HE2 HIS 69 HE2 HIS 69 26.188 30.393 99.892 Start of MODEL 2 1 1H MET 1 1H MET 1 0.854 6.825 4.357 2 2H MET 1 2H MET 1 1.677 5.602 5.196 3 3H MET 1 3H MET 1 1.616 7.169 5.834 4 HA MET 1 HA MET 1 0.100 5.664 6.973 5 1HB MET 1 2HB MET 1 -0.400 8.068 6.823 6 2HB MET 1 1HB MET 1 -1.248 7.801 5.305 7 1HG MET 1 2HG MET 1 -2.914 6.460 6.444 8 2HG MET 1 1HG MET 1 -2.043 6.638 7.966 9 1HE MET 1 1HE MET 1 -4.247 7.505 9.178 10 2HE MET 1 2HE MET 1 -5.137 7.292 7.671 11 3HE MET 1 3HE MET 1 -5.248 8.816 8.554 12 HA PRO 2 HA PRO 2 -1.721 2.775 4.145 13 1HB PRO 2 2HB PRO 2 -2.414 0.912 5.927 14 2HB PRO 2 1HB PRO 2 -0.719 1.241 5.549 15 1HG PRO 2 2HG PRO 2 -2.314 2.024 7.933 16 2HG PRO 2 1HG PRO 2 -0.597 1.603 7.817 17 1HD PRO 2 2HD PRO 2 -1.690 4.197 7.916 18 2HD PRO 2 1HD PRO 2 -0.018 3.774 7.499 19 H LYS 3 H LYS 3 -3.648 2.827 3.227 20 HA LYS 3 HA LYS 3 -6.036 2.671 4.919 21 1HB LYS 3 2HB LYS 3 -5.802 4.975 4.021 22 2HB LYS 3 1HB LYS 3 -5.810 4.332 2.393 23 1HG LYS 3 2HG LYS 3 -8.104 3.794 4.229 24 2HG LYS 3 1HG LYS 3 -7.965 5.358 3.427 25 1HD LYS 3 2HD LYS 3 -7.905 4.219 1.251 26 2HD LYS 3 1HD LYS 3 -8.068 2.663 2.069 27 1HE LYS 3 2HE LYS 3 -10.224 3.460 3.021 28 2HE LYS 3 1HE LYS 3 -10.068 4.920 2.044 29 1HZ LYS 3 1HZ LYS 3 -10.050 3.521 0.059 30 2HZ LYS 3 2HZ LYS 3 -11.476 3.316 0.944 31 3HZ LYS 3 3HZ LYS 3 -10.254 2.139 1.015 32 H ILE 4 H ILE 4 -7.631 1.324 4.098 33 HA ILE 4 HA ILE 4 -6.528 -0.729 2.437 34 HB ILE 4 HB ILE 4 -9.200 -0.541 3.775 35 1HG1 ILE 4 2HG1 ILE 4 -8.127 -2.392 5.171 36 2HG1 ILE 4 1HG1 ILE 4 -6.601 -1.852 4.515 37 1HG2 ILE 4 1HG2 ILE 4 -7.926 -2.884 2.391 38 2HG2 ILE 4 2HG2 ILE 4 -9.352 -1.995 1.854 39 3HG2 ILE 4 3HG2 ILE 4 -9.410 -2.940 3.343 40 1HD1 ILE 4 1HD1 ILE 4 -6.981 -0.917 6.712 41 2HD1 ILE 4 2HD1 ILE 4 -8.510 -0.222 6.175 42 3HD1 ILE 4 3HD1 ILE 4 -6.990 0.358 5.494 43 H ILE 5 H ILE 5 -6.769 -0.982 0.447 44 HA ILE 5 HA ILE 5 -9.127 0.066 -0.975 45 HB ILE 5 HB ILE 5 -6.592 -0.922 -2.282 46 1HG1 ILE 5 2HG1 ILE 5 -7.261 1.943 -1.590 47 2HG1 ILE 5 1HG1 ILE 5 -6.046 0.973 -0.776 48 1HG2 ILE 5 1HG2 ILE 5 -8.786 0.892 -3.273 49 2HG2 ILE 5 2HG2 ILE 5 -8.577 -0.806 -3.698 50 3HG2 ILE 5 3HG2 ILE 5 -7.371 0.380 -4.192 51 1HD1 ILE 5 1HD1 ILE 5 -4.784 0.806 -2.871 52 2HD1 ILE 5 2HD1 ILE 5 -5.017 2.480 -2.363 53 3HD1 ILE 5 3HD1 ILE 5 -5.998 1.809 -3.664 54 H GLU 6 H GLU 6 -10.058 -1.506 -2.555 55 HA GLU 6 HA GLU 6 -9.417 -4.259 -1.801 56 1HB GLU 6 2HB GLU 6 -12.115 -3.032 -2.309 57 2HB GLU 6 1HB GLU 6 -11.838 -4.755 -2.179 58 1HG GLU 6 2HG GLU 6 -11.002 -4.419 0.103 59 2HG GLU 6 1HG GLU 6 -11.331 -2.693 -0.054 60 H ALA 7 H ALA 7 -9.140 -5.677 -3.400 61 HA ALA 7 HA ALA 7 -9.665 -4.800 -6.166 62 1HB ALA 7 1HB ALA 7 -7.295 -4.449 -5.578 63 2HB ALA 7 2HB ALA 7 -7.496 -5.667 -6.835 64 3HB ALA 7 3HB ALA 7 -7.148 -6.159 -5.175 65 H VAL 8 H VAL 8 -9.675 -6.648 -7.695 66 HA VAL 8 HA VAL 8 -10.314 -9.198 -6.415 67 HB VAL 8 HB VAL 8 -11.320 -9.751 -8.684 68 1HG1 VAL 8 1HG1 VAL 8 -12.690 -9.290 -6.734 69 2HG1 VAL 8 2HG1 VAL 8 -13.431 -8.609 -8.183 70 3HG1 VAL 8 3HG1 VAL 8 -12.578 -7.560 -7.050 71 1HG2 VAL 8 1HG2 VAL 8 -12.058 -7.861 -10.055 72 2HG2 VAL 8 2HG2 VAL 8 -10.300 -7.982 -9.988 73 3HG2 VAL 8 3HG2 VAL 8 -11.134 -6.769 -9.019 74 H TYR 9 H TYR 9 -8.819 -10.683 -6.537 75 HA TYR 9 HA TYR 9 -6.559 -10.436 -8.375 76 1HB TYR 9 2HB TYR 9 -6.262 -11.145 -5.996 77 2HB TYR 9 1HB TYR 9 -7.218 -12.588 -6.319 78 HD1 TYR 9 HD1 TYR 9 -6.071 -14.546 -6.821 79 HD2 TYR 9 HD2 TYR 9 -4.220 -10.808 -7.635 80 HE1 TYR 9 HE1 TYR 9 -4.020 -15.713 -7.513 81 HE2 TYR 9 HE2 TYR 9 -2.173 -11.960 -8.328 82 HH TYR 9 HH TYR 9 -2.051 -15.364 -8.810 83 H GLU 10 H GLU 10 -6.684 -10.980 -10.200 84 HA GLU 10 HA GLU 10 -8.253 -13.137 -11.250 85 1HB GLU 10 2HB GLU 10 -6.373 -11.189 -12.571 86 2HB GLU 10 1HB GLU 10 -7.348 -12.377 -13.424 87 1HG GLU 10 2HG GLU 10 -9.370 -11.279 -12.441 88 2HG GLU 10 1HG GLU 10 -8.300 -10.008 -11.851 89 H ASN 11 H ASN 11 -6.612 -14.025 -13.223 90 HA ASN 11 HA ASN 11 -5.432 -16.221 -11.884 91 1HB ASN 11 2HB ASN 11 -6.361 -15.557 -14.351 92 2HB ASN 11 1HB ASN 11 -4.632 -15.634 -14.635 93 1HD2 ASN 11 1HD2 ASN 11 -4.774 -17.435 -15.930 94 2HD2 ASN 11 2HD2 ASN 11 -5.118 -19.002 -15.304 95 H GLY 12 H GLY 12 -4.173 -13.978 -10.919 96 1HA GLY 12 2HA GLY 12 -1.725 -14.065 -10.396 97 2HA GLY 12 1HA GLY 12 -1.478 -14.056 -12.142 98 H VAL 13 H VAL 13 -4.181 -12.253 -11.401 99 HA VAL 13 HA VAL 13 -2.559 -9.773 -11.661 100 HB VAL 13 HB VAL 13 -5.434 -9.969 -12.398 101 1HG1 VAL 13 1HG1 VAL 13 -4.797 -8.237 -14.021 102 2HG1 VAL 13 2HG1 VAL 13 -3.130 -8.339 -13.451 103 3HG1 VAL 13 3HG1 VAL 13 -4.403 -7.786 -12.362 104 1HG2 VAL 13 1HG2 VAL 13 -3.145 -10.832 -14.186 105 2HG2 VAL 13 2HG2 VAL 13 -4.806 -10.579 -14.719 106 3HG2 VAL 13 3HG2 VAL 13 -4.438 -11.864 -13.568 107 H PHE 14 H PHE 14 -2.980 -8.077 -10.240 108 HA PHE 14 HA PHE 14 -5.394 -8.382 -8.567 109 1HB PHE 14 2HB PHE 14 -2.783 -7.009 -8.069 110 2HB PHE 14 1HB PHE 14 -4.219 -6.496 -7.212 111 HD1 PHE 14 HD1 PHE 14 -5.512 -8.330 -5.943 112 HD2 PHE 14 HD2 PHE 14 -1.466 -8.725 -7.197 113 HE1 PHE 14 HE1 PHE 14 -5.165 -10.067 -4.250 114 HE2 PHE 14 HE2 PHE 14 -1.113 -10.474 -5.491 115 HZ PHE 14 HZ PHE 14 -2.975 -11.149 -4.010 116 H LYS 15 H LYS 15 -7.043 -7.229 -9.366 117 HA LYS 15 HA LYS 15 -6.469 -4.541 -10.394 118 1HB LYS 15 2HB LYS 15 -8.543 -6.547 -11.220 119 2HB LYS 15 1HB LYS 15 -8.685 -4.842 -11.608 120 1HG LYS 15 2HG LYS 15 -6.203 -5.268 -12.471 121 2HG LYS 15 1HG LYS 15 -6.863 -6.890 -12.674 122 1HD LYS 15 2HD LYS 15 -8.157 -4.396 -13.762 123 2HD LYS 15 1HD LYS 15 -7.064 -5.427 -14.681 124 1HE LYS 15 2HE LYS 15 -9.265 -6.833 -13.354 125 2HE LYS 15 1HE LYS 15 -9.760 -5.712 -14.624 126 1HZ LYS 15 1HZ LYS 15 -8.005 -8.084 -14.839 127 2HZ LYS 15 2HZ LYS 15 -7.982 -6.863 -16.016 128 3HZ LYS 15 3HZ LYS 15 -9.412 -7.722 -15.717 129 HA PRO 16 HA PRO 16 -8.736 -3.413 -6.730 130 1HB PRO 16 2HB PRO 16 -8.729 -0.709 -7.265 131 2HB PRO 16 1HB PRO 16 -7.411 -1.579 -6.481 132 1HG PRO 16 2HG PRO 16 -7.662 -0.675 -9.305 133 2HG PRO 16 1HG PRO 16 -6.229 -0.757 -8.271 134 1HD PRO 16 2HD PRO 16 -6.783 -2.580 -10.208 135 2HD PRO 16 1HD PRO 16 -5.853 -2.960 -8.746 136 H LEU 17 H LEU 17 -10.685 -2.279 -6.237 137 HA LEU 17 HA LEU 17 -12.575 -2.124 -8.493 138 1HB LEU 17 2HB LEU 17 -13.175 -2.508 -5.550 139 2HB LEU 17 1HB LEU 17 -14.340 -2.539 -6.862 140 HG LEU 17 HG LEU 17 -12.141 -4.561 -6.421 141 1HD1 LEU 17 1HD1 LEU 17 -13.970 -6.086 -5.868 142 2HD1 LEU 17 2HD1 LEU 17 -15.123 -4.761 -6.025 143 3HD1 LEU 17 3HD1 LEU 17 -13.904 -4.722 -4.751 144 1HD2 LEU 17 1HD2 LEU 17 -14.367 -4.480 -8.449 145 2HD2 LEU 17 2HD2 LEU 17 -13.234 -5.812 -8.210 146 3HD2 LEU 17 3HD2 LEU 17 -12.651 -4.247 -8.778 147 H GLN 18 H GLN 18 -10.837 -0.497 -6.174 148 HA GLN 18 HA GLN 18 -12.585 1.884 -6.274 149 1HB GLN 18 2HB GLN 18 -10.166 1.422 -4.520 150 2HB GLN 18 1HB GLN 18 -11.325 2.734 -4.391 151 1HG GLN 18 2HG GLN 18 -13.056 1.211 -3.713 152 2HG GLN 18 1HG GLN 18 -11.986 -0.169 -3.954 153 1HE2 GLN 18 1HE2 GLN 18 -12.147 -0.849 -1.850 154 2HE2 GLN 18 2HE2 GLN 18 -11.466 0.010 -0.515 155 H LYS 19 H LYS 19 -11.971 3.562 -7.516 156 HA LYS 19 HA LYS 19 -9.620 3.316 -9.098 157 1HB LYS 19 2HB LYS 19 -10.220 5.646 -9.881 158 2HB LYS 19 1HB LYS 19 -11.390 4.380 -10.201 159 1HG LYS 19 2HG LYS 19 -12.676 5.127 -8.245 160 2HG LYS 19 1HG LYS 19 -11.532 6.455 -8.030 161 1HD LYS 19 2HD LYS 19 -12.111 7.409 -10.120 162 2HD LYS 19 1HD LYS 19 -13.012 5.972 -10.596 163 1HE LYS 19 2HE LYS 19 -14.492 7.826 -9.940 164 2HE LYS 19 1HE LYS 19 -14.681 6.416 -8.898 165 1HZ LYS 19 1HZ LYS 19 -13.472 7.464 -7.179 166 2HZ LYS 19 2HZ LYS 19 -14.581 8.616 -7.738 167 3HZ LYS 19 3HZ LYS 19 -12.951 8.720 -8.194 168 H VAL 20 H VAL 20 -7.795 4.544 -9.078 169 HA VAL 20 HA VAL 20 -7.143 5.666 -6.460 170 HB VAL 20 HB VAL 20 -6.691 3.353 -6.341 171 1HG1 VAL 20 1HG1 VAL 20 -5.010 3.672 -8.797 172 2HG1 VAL 20 2HG1 VAL 20 -6.522 2.774 -8.660 173 3HG1 VAL 20 3HG1 VAL 20 -5.081 2.218 -7.806 174 1HG2 VAL 20 1HG2 VAL 20 -4.320 3.310 -5.805 175 2HG2 VAL 20 2HG2 VAL 20 -5.114 4.759 -5.188 176 3HG2 VAL 20 3HG2 VAL 20 -4.117 4.849 -6.640 177 H ASP 21 H ASP 21 -5.726 7.107 -6.301 178 HA ASP 21 HA ASP 21 -4.426 8.068 -8.749 179 1HB ASP 21 2HB ASP 21 -5.603 9.737 -7.477 180 2HB ASP 21 1HB ASP 21 -4.738 9.291 -6.020 181 H LEU 22 H LEU 22 -3.111 6.426 -8.832 182 HA LEU 22 HA LEU 22 -0.944 6.243 -6.899 183 1HB LEU 22 2HB LEU 22 -0.708 3.994 -7.477 184 2HB LEU 22 1HB LEU 22 -2.392 4.288 -7.177 185 HG LEU 22 HG LEU 22 -2.421 2.855 -8.947 186 1HD1 LEU 22 1HD1 LEU 22 -3.142 3.990 -10.941 187 2HD1 LEU 22 2HD1 LEU 22 -2.416 5.490 -10.369 188 3HD1 LEU 22 3HD1 LEU 22 -3.784 4.787 -9.506 189 1HD2 LEU 22 1HD2 LEU 22 -0.958 2.949 -10.911 190 2HD2 LEU 22 2HD2 LEU 22 -0.081 2.724 -9.399 191 3HD2 LEU 22 3HD2 LEU 22 -0.106 4.307 -10.173 192 H LYS 23 H LYS 23 1.152 5.373 -7.852 193 HA LYS 23 HA LYS 23 1.667 6.519 -10.530 194 1HB LYS 23 2HB LYS 23 3.422 6.239 -8.114 195 2HB LYS 23 1HB LYS 23 4.137 6.245 -9.711 196 1HG LYS 23 2HG LYS 23 4.273 8.454 -8.877 197 2HG LYS 23 1HG LYS 23 3.012 8.448 -10.110 198 1HD LYS 23 2HD LYS 23 1.299 8.467 -8.471 199 2HD LYS 23 1HD LYS 23 2.453 8.146 -7.178 200 1HE LYS 23 2HE LYS 23 1.851 10.478 -7.123 201 2HE LYS 23 1HE LYS 23 3.524 10.329 -7.651 202 1HZ LYS 23 1HZ LYS 23 2.454 11.924 -9.029 203 2HZ LYS 23 2HZ LYS 23 1.153 10.888 -9.347 204 3HZ LYS 23 3HZ LYS 23 2.690 10.535 -9.975 205 H GLU 24 H GLU 24 2.990 5.243 -11.952 206 HA GLU 24 HA GLU 24 2.231 2.519 -11.904 207 1HB GLU 24 2HB GLU 24 4.200 3.975 -13.652 208 2HB GLU 24 1HB GLU 24 3.638 2.345 -13.921 209 1HG GLU 24 2HG GLU 24 1.329 3.208 -14.087 210 2HG GLU 24 1HG GLU 24 1.981 4.839 -13.975 211 H GLY 25 H GLY 25 3.271 0.763 -11.305 212 1HA GLY 25 2HA GLY 25 5.000 -0.579 -10.519 213 2HA GLY 25 1HA GLY 25 6.082 0.804 -10.613 214 H GLU 26 H GLU 26 3.026 1.151 -9.057 215 HA GLU 26 HA GLU 26 4.289 1.988 -6.655 216 1HB GLU 26 2HB GLU 26 2.157 2.917 -7.689 217 2HB GLU 26 1HB GLU 26 1.345 1.487 -7.066 218 1HG GLU 26 2HG GLU 26 1.821 2.087 -4.845 219 2HG GLU 26 1HG GLU 26 2.916 3.369 -5.352 220 H ARG 27 H ARG 27 4.916 0.733 -5.076 221 HA ARG 27 HA ARG 27 4.211 -2.067 -5.114 222 1HB ARG 27 2HB ARG 27 6.539 -1.267 -4.830 223 2HB ARG 27 1HB ARG 27 6.090 -0.605 -3.272 224 1HG ARG 27 2HG ARG 27 5.680 -2.785 -2.391 225 2HG ARG 27 1HG ARG 27 5.880 -3.520 -3.987 226 1HD ARG 27 2HD ARG 27 8.210 -2.726 -4.033 227 2HD ARG 27 1HD ARG 27 8.000 -2.056 -2.417 228 HE ARG 27 HE ARG 27 7.486 -4.489 -1.794 229 1HH1 ARG 27 1HH1 ARG 27 9.696 -3.561 -4.361 230 2HH1 ARG 27 2HH1 ARG 27 10.732 -4.942 -4.124 231 1HH2 ARG 27 1HH2 ARG 27 8.833 -6.277 -1.495 232 2HH2 ARG 27 2HH2 ARG 27 10.255 -6.469 -2.482 233 H VAL 28 H VAL 28 2.884 -3.017 -3.846 234 HA VAL 28 HA VAL 28 1.760 -1.570 -1.544 235 HB VAL 28 HB VAL 28 -0.501 -2.286 -2.183 236 1HG1 VAL 28 1HG1 VAL 28 0.917 -0.697 -4.320 237 2HG1 VAL 28 2HG1 VAL 28 0.230 -0.063 -2.824 238 3HG1 VAL 28 3HG1 VAL 28 -0.828 -0.738 -4.062 239 1HG2 VAL 28 1HG2 VAL 28 0.051 -4.261 -3.475 240 2HG2 VAL 28 2HG2 VAL 28 0.819 -3.268 -4.713 241 3HG2 VAL 28 3HG2 VAL 28 -0.920 -3.153 -4.447 242 H LYS 29 H LYS 29 0.379 -3.011 -0.173 243 HA LYS 29 HA LYS 29 1.456 -5.749 -0.113 244 1HB LYS 29 2HB LYS 29 0.525 -4.029 2.182 245 2HB LYS 29 1HB LYS 29 1.087 -5.681 2.303 246 1HG LYS 29 2HG LYS 29 2.726 -3.334 1.399 247 2HG LYS 29 1HG LYS 29 2.801 -4.119 2.966 248 1HD LYS 29 2HD LYS 29 3.264 -5.703 0.488 249 2HD LYS 29 1HD LYS 29 4.557 -4.721 1.181 250 1HE LYS 29 2HE LYS 29 3.028 -6.917 2.571 251 2HE LYS 29 1HE LYS 29 4.693 -7.000 1.995 252 1HZ LYS 29 1HZ LYS 29 3.626 -5.321 4.196 253 2HZ LYS 29 2HZ LYS 29 5.187 -5.125 3.554 254 3HZ LYS 29 3HZ LYS 29 4.757 -6.574 4.309 255 H ILE 30 H ILE 30 0.057 -7.361 0.079 256 HA ILE 30 HA ILE 30 -2.827 -6.696 0.106 257 HB ILE 30 HB ILE 30 -1.896 -9.204 -1.187 258 1HG1 ILE 30 2HG1 ILE 30 -0.440 -7.441 -2.187 259 2HG1 ILE 30 1HG1 ILE 30 -1.539 -8.173 -3.344 260 1HG2 ILE 30 1HG2 ILE 30 -4.254 -8.805 -0.884 261 2HG2 ILE 30 2HG2 ILE 30 -3.856 -8.798 -2.603 262 3HG2 ILE 30 3HG2 ILE 30 -4.130 -7.276 -1.755 263 1HD1 ILE 30 1HD1 ILE 30 -3.000 -6.234 -3.199 264 2HD1 ILE 30 2HD1 ILE 30 -1.362 -5.783 -3.672 265 3HD1 ILE 30 3HD1 ILE 30 -1.909 -5.501 -2.021 266 H LYS 31 H LYS 31 -4.072 -7.905 1.437 267 HA LYS 31 HA LYS 31 -3.149 -10.448 2.400 268 1HB LYS 31 2HB LYS 31 -2.095 -8.818 3.966 269 2HB LYS 31 1HB LYS 31 -3.703 -8.254 4.405 270 1HG LYS 31 2HG LYS 31 -4.260 -10.524 5.170 271 2HG LYS 31 1HG LYS 31 -2.613 -11.029 4.794 272 1HD LYS 31 2HD LYS 31 -1.778 -9.329 6.378 273 2HD LYS 31 1HD LYS 31 -3.447 -8.961 6.816 274 1HE LYS 31 2HE LYS 31 -3.770 -11.283 7.530 275 2HE LYS 31 1HE LYS 31 -2.098 -11.647 7.111 276 1HZ LYS 31 1HZ LYS 31 -2.409 -11.257 9.484 277 2HZ LYS 31 2HZ LYS 31 -2.955 -9.683 9.168 278 3HZ LYS 31 3HZ LYS 31 -1.355 -10.116 8.800 279 H LEU 32 H LEU 32 -4.768 -11.722 3.206 280 HA LEU 32 HA LEU 32 -7.493 -10.760 2.885 281 1HB LEU 32 2HB LEU 32 -6.463 -13.504 3.610 282 2HB LEU 32 1HB LEU 32 -8.097 -13.098 3.131 283 HG LEU 32 HG LEU 32 -5.704 -12.758 1.327 284 1HD1 LEU 32 1HD1 LEU 32 -6.040 -15.122 1.847 285 2HD1 LEU 32 2HD1 LEU 32 -6.447 -14.750 0.171 286 3HD1 LEU 32 3HD1 LEU 32 -7.731 -14.987 1.361 287 1HD2 LEU 32 1HD2 LEU 32 -8.663 -12.729 0.762 288 2HD2 LEU 32 2HD2 LEU 32 -7.372 -12.534 -0.425 289 3HD2 LEU 32 3HD2 LEU 32 -7.613 -11.315 0.828 290 H GLU 33 H GLU 33 -8.594 -10.038 4.599 291 HA GLU 33 HA GLU 33 -7.134 -9.866 7.068 292 1HB GLU 33 2HB GLU 33 -9.744 -8.639 6.189 293 2HB GLU 33 1HB GLU 33 -8.926 -8.284 7.699 294 1HG GLU 33 2HG GLU 33 -6.970 -7.495 6.427 295 2HG GLU 33 1HG GLU 33 -7.867 -7.775 4.937 296 H LEU 34 H LEU 34 -8.839 -9.715 9.052 297 HA LEU 34 HA LEU 34 -9.580 -10.995 10.725 298 1HB LEU 34 2HB LEU 34 -11.182 -12.239 8.498 299 2HB LEU 34 1HB LEU 34 -11.473 -12.463 10.203 300 HG LEU 34 HG LEU 34 -11.635 -9.837 8.789 301 1HD1 LEU 34 1HD1 LEU 34 -13.816 -11.685 9.732 302 2HD1 LEU 34 2HD1 LEU 34 -13.424 -11.293 8.058 303 3HD1 LEU 34 3HD1 LEU 34 -14.066 -10.047 9.128 304 1HD2 LEU 34 1HD2 LEU 34 -12.425 -10.606 11.593 305 2HD2 LEU 34 2HD2 LEU 34 -12.626 -9.016 10.854 306 3HD2 LEU 34 3HD2 LEU 34 -11.008 -9.652 11.152 307 H LYS 35 H LYS 35 -10.371 -13.703 10.767 308 HA LYS 35 HA LYS 35 -7.761 -14.928 10.705 309 1HB LYS 35 2HB LYS 35 -8.862 -16.761 11.907 310 2HB LYS 35 1HB LYS 35 -9.104 -15.222 12.702 311 1HG LYS 35 2HG LYS 35 -11.351 -15.110 12.012 312 2HG LYS 35 1HG LYS 35 -11.136 -16.417 10.846 313 1HD LYS 35 2HD LYS 35 -12.325 -17.240 12.788 314 2HD LYS 35 1HD LYS 35 -10.724 -17.976 12.712 315 1HE LYS 35 2HE LYS 35 -9.934 -16.290 14.357 316 2HE LYS 35 1HE LYS 35 -11.588 -15.691 14.484 317 1HZ LYS 35 1HZ LYS 35 -11.209 -17.200 16.269 318 2HZ LYS 35 2HZ LYS 35 -10.594 -18.389 15.227 319 3HZ LYS 35 3HZ LYS 35 -12.236 -17.980 15.165 320 H VAL 36 H VAL 36 -7.578 -17.187 9.928 321 HA VAL 36 HA VAL 36 -8.887 -17.403 7.308 322 HB VAL 36 HB VAL 36 -6.587 -19.058 8.324 323 1HG1 VAL 36 1HG1 VAL 36 -7.780 -20.000 6.424 324 2HG1 VAL 36 2HG1 VAL 36 -6.162 -19.479 5.953 325 3HG1 VAL 36 3HG1 VAL 36 -7.564 -18.495 5.530 326 1HG2 VAL 36 1HG2 VAL 36 -5.888 -16.746 8.402 327 2HG2 VAL 36 2HG2 VAL 36 -6.485 -16.481 6.765 328 3HG2 VAL 36 3HG2 VAL 36 -5.107 -17.547 7.038 329 H GLU 37 H GLU 37 -10.188 -19.076 6.792 330 HA GLU 37 HA GLU 37 -11.097 -20.767 8.950 331 1HB GLU 37 2HB GLU 37 -12.895 -21.326 7.318 332 2HB GLU 37 1HB GLU 37 -12.804 -19.624 7.722 333 1HG GLU 37 2HG GLU 37 -11.567 -19.238 5.622 334 2HG GLU 37 1HG GLU 37 -11.775 -20.943 5.216 335 HA PRO 38 HA PRO 38 -9.018 -24.357 7.397 336 1HB PRO 38 2HB PRO 38 -10.666 -26.319 8.281 337 2HB PRO 38 1HB PRO 38 -9.603 -25.408 9.359 338 1HG PRO 38 2HG PRO 38 -12.525 -25.064 8.839 339 2HG PRO 38 1HG PRO 38 -11.645 -24.990 10.376 340 1HD PRO 38 2HD PRO 38 -12.435 -22.775 9.002 341 2HD PRO 38 1HD PRO 38 -10.991 -22.810 10.035 342 H ILE 39 H ILE 39 -9.510 -26.418 6.119 343 HA ILE 39 HA ILE 39 -11.654 -25.952 4.181 344 HB ILE 39 HB ILE 39 -10.008 -26.959 2.509 345 1HG1 ILE 39 2HG1 ILE 39 -8.042 -26.004 4.591 346 2HG1 ILE 39 1HG1 ILE 39 -8.322 -27.684 4.137 347 1HG2 ILE 39 1HG2 ILE 39 -10.785 -24.639 2.455 348 2HG2 ILE 39 2HG2 ILE 39 -9.098 -24.763 1.955 349 3HG2 ILE 39 3HG2 ILE 39 -9.499 -24.186 3.573 350 1HD1 ILE 39 1HD1 ILE 39 -6.298 -26.812 3.109 351 2HD1 ILE 39 2HD1 ILE 39 -7.226 -25.518 2.347 352 3HD1 ILE 39 3HD1 ILE 39 -7.506 -27.196 1.884 353 H ASP 40 H ASP 40 -12.802 -27.686 3.619 354 HA ASP 40 HA ASP 40 -13.664 -29.771 3.576 355 1HB ASP 40 2HB ASP 40 -11.629 -29.959 2.138 356 2HB ASP 40 1HB ASP 40 -10.767 -30.592 3.527 357 H LEU 41 H LEU 41 -12.553 -32.223 4.706 358 HA LEU 41 HA LEU 41 -13.141 -31.606 7.512 359 1HB LEU 41 2HB LEU 41 -13.713 -34.060 7.651 360 2HB LEU 41 1HB LEU 41 -14.781 -33.062 6.690 361 HG LEU 41 HG LEU 41 -13.392 -33.902 4.667 362 1HD1 LEU 41 1HD1 LEU 41 -12.456 -36.141 4.958 363 2HD1 LEU 41 2HD1 LEU 41 -12.733 -36.027 6.697 364 3HD1 LEU 41 3HD1 LEU 41 -11.586 -34.939 5.911 365 1HD2 LEU 41 1HD2 LEU 41 -14.829 -35.870 4.465 366 2HD2 LEU 41 2HD2 LEU 41 -15.722 -34.470 5.058 367 3HD2 LEU 41 3HD2 LEU 41 -15.237 -35.742 6.179 368 H GLY 42 H GLY 42 -12.163 -33.214 9.095 369 1HA GLY 42 2HA GLY 42 -9.289 -33.064 8.656 370 2HA GLY 42 1HA GLY 42 -10.091 -33.311 10.196 371 H GLU 43 H GLU 43 -9.400 -35.159 11.009 372 HA GLU 43 HA GLU 43 -8.818 -37.386 9.205 373 1HB GLU 43 2HB GLU 43 -7.854 -36.803 11.998 374 2HB GLU 43 1HB GLU 43 -7.359 -38.165 11.015 375 1HG GLU 43 2HG GLU 43 -6.229 -36.770 9.480 376 2HG GLU 43 1HG GLU 43 -6.955 -35.321 10.171 377 HA PRO 44 HA PRO 44 -12.282 -39.379 11.377 378 1HB PRO 44 2HB PRO 44 -12.311 -41.225 9.147 379 2HB PRO 44 1HB PRO 44 -13.536 -40.043 9.611 380 1HG PRO 44 2HG PRO 44 -12.031 -39.837 7.343 381 2HG PRO 44 1HG PRO 44 -12.714 -38.442 8.198 382 1HD PRO 44 2HD PRO 44 -9.925 -39.536 8.283 383 2HD PRO 44 1HD PRO 44 -10.472 -37.845 8.224 384 H VAL 45 H VAL 45 -11.554 -40.628 13.009 385 HA VAL 45 HA VAL 45 -9.567 -42.702 12.415 386 HB VAL 45 HB VAL 45 -8.917 -41.143 14.146 387 1HG1 VAL 45 1HG1 VAL 45 -10.079 -41.042 16.309 388 2HG1 VAL 45 2HG1 VAL 45 -11.356 -42.066 15.647 389 3HG1 VAL 45 3HG1 VAL 45 -11.072 -40.460 14.975 390 1HG2 VAL 45 1HG2 VAL 45 -8.291 -42.696 15.907 391 2HG2 VAL 45 2HG2 VAL 45 -8.087 -43.418 14.312 392 3HG2 VAL 45 3HG2 VAL 45 -9.474 -43.860 15.307 393 H SER 46 H SER 46 -9.778 -44.745 13.520 394 HA SER 46 HA SER 46 -12.551 -45.680 13.404 395 1HB SER 46 2HB SER 46 -10.145 -47.464 13.491 396 2HB SER 46 1HB SER 46 -11.697 -47.727 12.711 397 HG SER 46 HG SER 46 -10.990 -45.838 11.332 398 H VAL 47 H VAL 47 -13.186 -47.397 14.940 399 HA VAL 47 HA VAL 47 -11.711 -47.282 17.475 400 HB VAL 47 HB VAL 47 -13.684 -45.937 17.694 401 1HG1 VAL 47 1HG1 VAL 47 -15.279 -48.364 16.902 402 2HG1 VAL 47 2HG1 VAL 47 -15.070 -46.897 15.944 403 3HG1 VAL 47 3HG1 VAL 47 -15.945 -46.834 17.473 404 1HG2 VAL 47 1HG2 VAL 47 -12.984 -47.225 19.633 405 2HG2 VAL 47 2HG2 VAL 47 -14.019 -48.560 19.126 406 3HG2 VAL 47 3HG2 VAL 47 -14.735 -47.021 19.609 407 H GLU 48 H GLU 48 -11.011 -49.162 18.105 408 HA GLU 48 HA GLU 48 -12.576 -51.567 17.608 409 1HB GLU 48 2HB GLU 48 -11.024 -51.246 15.703 410 2HB GLU 48 1HB GLU 48 -9.677 -51.262 16.828 411 1HG GLU 48 2HG GLU 48 -11.470 -53.597 16.908 412 2HG GLU 48 1HG GLU 48 -10.500 -53.381 15.457 413 H GLU 49 H GLU 49 -9.898 -50.003 19.203 414 HA GLU 49 HA GLU 49 -9.459 -52.203 21.034 415 1HB GLU 49 2HB GLU 49 -7.619 -50.778 20.087 416 2HB GLU 49 1HB GLU 49 -8.229 -49.443 21.051 417 1HG GLU 49 2HG GLU 49 -7.769 -50.681 23.090 418 2HG GLU 49 1HG GLU 49 -7.204 -52.056 22.139 419 H ILE 50 H ILE 50 -11.223 -49.283 20.919 420 HA ILE 50 HA ILE 50 -11.374 -48.909 23.783 421 HB ILE 50 HB ILE 50 -13.025 -47.461 21.704 422 1HG1 ILE 50 2HG1 ILE 50 -10.249 -46.751 22.690 423 2HG1 ILE 50 1HG1 ILE 50 -10.621 -47.389 21.093 424 1HG2 ILE 50 1HG2 ILE 50 -13.679 -47.113 24.038 425 2HG2 ILE 50 2HG2 ILE 50 -12.988 -45.642 23.353 426 3HG2 ILE 50 3HG2 ILE 50 -12.027 -46.648 24.437 427 1HD1 ILE 50 1HD1 ILE 50 -11.578 -44.764 22.205 428 2HD1 ILE 50 2HD1 ILE 50 -11.947 -45.400 20.603 429 3HD1 ILE 50 3HD1 ILE 50 -10.285 -44.985 21.026 430 H LYS 51 H LYS 51 -12.762 -51.098 21.840 431 HA LYS 51 HA LYS 51 -15.446 -50.918 22.996 432 1HB LYS 51 2HB LYS 51 -15.302 -51.227 20.562 433 2HB LYS 51 1HB LYS 51 -14.389 -52.711 20.802 434 1HG LYS 51 2HG LYS 51 -16.314 -53.730 21.902 435 2HG LYS 51 1HG LYS 51 -17.232 -52.239 21.691 436 1HD LYS 51 2HD LYS 51 -17.811 -53.897 19.988 437 2HD LYS 51 1HD LYS 51 -17.061 -52.472 19.264 438 1HE LYS 51 2HE LYS 51 -14.920 -53.658 19.173 439 2HE LYS 51 1HE LYS 51 -15.679 -55.084 19.879 440 1HZ LYS 51 1HZ LYS 51 -15.425 -55.089 17.402 441 2HZ LYS 51 2HZ LYS 51 -16.595 -53.865 17.335 442 3HZ LYS 51 3HZ LYS 51 -16.997 -55.392 17.960 443 H LYS 52 H LYS 52 -16.186 -52.326 24.481 444 HA LYS 52 HA LYS 52 -14.504 -54.636 25.147 445 1HB LYS 52 2HB LYS 52 -15.661 -54.189 27.485 446 2HB LYS 52 1HB LYS 52 -14.166 -53.392 27.032 447 1HG LYS 52 2HG LYS 52 -15.425 -51.413 26.361 448 2HG LYS 52 1HG LYS 52 -16.933 -52.222 26.791 449 1HD LYS 52 2HD LYS 52 -16.157 -50.665 28.542 450 2HD LYS 52 1HD LYS 52 -16.255 -52.329 29.112 451 1HE LYS 52 2HE LYS 52 -14.229 -51.223 29.907 452 2HE LYS 52 1HE LYS 52 -13.854 -52.582 28.851 453 1HZ LYS 52 1HZ LYS 52 -12.515 -50.544 28.456 454 2HZ LYS 52 2HZ LYS 52 -13.919 -49.759 27.921 455 3HZ LYS 52 3HZ LYS 52 -13.327 -51.111 27.083 456 H ILE 53 H ILE 53 -15.526 -56.573 25.375 457 HA ILE 53 HA ILE 53 -18.359 -56.632 24.762 458 HB ILE 53 HB ILE 53 -17.024 -57.709 23.099 459 1HG1 ILE 53 2HG1 ILE 53 -18.119 -59.876 24.870 460 2HG1 ILE 53 1HG1 ILE 53 -19.112 -58.800 23.907 461 1HG2 ILE 53 1HG2 ILE 53 -14.985 -58.045 24.380 462 2HG2 ILE 53 2HG2 ILE 53 -15.490 -59.553 23.617 463 3HG2 ILE 53 3HG2 ILE 53 -15.780 -59.298 25.336 464 1HD1 ILE 53 1HD1 ILE 53 -18.821 -60.930 22.786 465 2HD1 ILE 53 2HD1 ILE 53 -17.068 -60.744 22.857 466 3HD1 ILE 53 3HD1 ILE 53 -18.034 -59.644 21.873 467 H ARG 54 H ARG 54 -19.778 -57.773 26.041 468 HA ARG 54 HA ARG 54 -18.703 -59.212 28.363 469 1HB ARG 54 2HB ARG 54 -19.625 -57.058 29.095 470 2HB ARG 54 1HB ARG 54 -21.140 -57.411 28.275 471 1HG ARG 54 2HG ARG 54 -21.570 -59.246 29.787 472 2HG ARG 54 1HG ARG 54 -20.010 -58.988 30.569 473 1HD ARG 54 2HD ARG 54 -22.195 -56.915 30.444 474 2HD ARG 54 1HD ARG 54 -21.968 -58.023 31.797 475 HE ARG 54 HE ARG 54 -19.630 -56.967 31.884 476 1HH1 ARG 54 1HH1 ARG 54 -22.514 -55.253 30.881 477 2HH1 ARG 54 2HH1 ARG 54 -21.944 -53.710 31.431 478 1HH2 ARG 54 1HH2 ARG 54 -18.874 -54.961 32.644 479 2HH2 ARG 54 2HH2 ARG 54 -19.871 -53.538 32.457 480 H ASP 55 H ASP 55 -19.743 -61.138 28.870 481 HA ASP 55 HA ASP 55 -21.054 -62.444 26.695 482 1HB ASP 55 2HB ASP 55 -20.593 -63.324 29.552 483 2HB ASP 55 1HB ASP 55 -21.279 -64.357 28.305 484 H GLY 56 H GLY 56 -23.106 -63.671 26.953 485 1HA GLY 56 2HA GLY 56 -25.117 -61.973 28.280 486 2HA GLY 56 1HA GLY 56 -25.421 -62.995 26.881 487 H THR 57 H THR 57 -26.792 -62.904 29.484 488 HA THR 57 HA THR 57 -25.963 -65.351 30.825 489 HB THR 57 HB THR 57 -28.403 -63.866 31.656 490 HG1 THR 57 HG1 THR 57 -25.870 -62.863 32.439 491 1HG2 THR 57 1HG2 THR 57 -27.630 -65.802 32.928 492 2HG2 THR 57 2HG2 THR 57 -27.494 -64.331 33.891 493 3HG2 THR 57 3HG2 THR 57 -26.056 -65.038 33.154 494 H TRP 58 H TRP 58 -26.954 -67.271 30.563 495 HA TRP 58 HA TRP 58 -29.338 -67.408 28.914 496 1HB TRP 58 2HB TRP 58 -28.613 -69.934 29.146 497 2HB TRP 58 1HB TRP 58 -27.838 -68.870 27.987 498 HD1 TRP 58 HD1 TRP 58 -25.296 -68.182 28.480 499 HE1 TRP 58 HE1 TRP 58 -23.499 -69.168 30.039 500 HE3 TRP 58 HE3 TRP 58 -28.293 -71.091 31.443 501 HZ2 TRP 58 HZ2 TRP 58 -23.370 -70.946 32.220 502 HZ3 TRP 58 HZ3 TRP 58 -27.245 -72.405 33.241 503 HH2 TRP 58 HH2 TRP 58 -24.833 -72.334 33.622 504 H MET 59 H MET 59 -30.799 -69.310 29.502 505 HA MET 59 HA MET 59 -32.153 -70.464 30.890 506 1HB MET 59 2HB MET 59 -29.920 -69.912 32.765 507 2HB MET 59 1HB MET 59 -31.468 -70.359 33.464 508 1HG MET 59 2HG MET 59 -30.025 -71.968 31.371 509 2HG MET 59 1HG MET 59 -29.927 -72.261 33.107 510 1HE MET 59 1HE MET 59 -32.825 -71.711 34.144 511 2HE MET 59 2HE MET 59 -31.903 -73.147 34.592 512 3HE MET 59 3HE MET 59 -33.561 -73.310 34.017 513 H SER 60 H SER 60 -33.734 -70.170 32.597 514 HA SER 60 HA SER 60 -34.345 -67.348 33.112 515 1HB SER 60 2HB SER 60 -35.676 -68.138 31.176 516 2HB SER 60 1HB SER 60 -36.295 -69.469 32.149 517 HG SER 60 HG SER 60 -37.762 -67.690 32.046 518 H SER 61 H SER 61 -36.370 -67.382 34.704 519 HA SER 61 HA SER 61 -35.432 -68.773 37.057 520 1HB SER 61 2HB SER 61 -37.784 -66.899 36.680 521 2HB SER 61 1HB SER 61 -37.157 -67.458 38.231 522 HG SER 61 HG SER 61 -35.701 -65.946 36.303 523 H LEU 62 H LEU 62 -36.772 -70.177 34.739 524 HA LEU 62 HA LEU 62 -38.024 -71.977 34.358 525 1HB LEU 62 2HB LEU 62 -38.236 -71.954 37.352 526 2HB LEU 62 1HB LEU 62 -39.052 -73.127 36.355 527 HG LEU 62 HG LEU 62 -36.784 -73.774 35.427 528 1HD1 LEU 62 1HD1 LEU 62 -34.844 -73.243 36.827 529 2HD1 LEU 62 2HD1 LEU 62 -35.848 -72.155 37.788 530 3HD1 LEU 62 3HD1 LEU 62 -35.539 -71.801 36.088 531 1HD2 LEU 62 1HD2 LEU 62 -37.348 -74.182 38.355 532 2HD2 LEU 62 2HD2 LEU 62 -36.227 -75.142 37.392 533 3HD2 LEU 62 3HD2 LEU 62 -37.951 -75.163 37.019 534 H GLU 63 H GLU 63 -40.041 -72.296 33.634 535 HA GLU 63 HA GLU 63 -42.074 -70.357 34.488 536 1HB GLU 63 2HB GLU 63 -41.506 -70.256 32.113 537 2HB GLU 63 1HB GLU 63 -41.851 -71.973 31.941 538 1HG GLU 63 2HG GLU 63 -44.193 -71.548 32.519 539 2HG GLU 63 1HG GLU 63 -43.842 -69.825 32.639 540 H HIS 64 H HIS 64 -43.453 -71.151 35.919 541 HA HIS 64 HA HIS 64 -44.327 -73.945 35.624 542 1HB HIS 64 2HB HIS 64 -43.890 -72.230 38.028 543 2HB HIS 64 1HB HIS 64 -45.151 -73.452 38.087 544 HD1 HIS 64 HD1 HIS 64 -44.272 -75.973 37.543 545 HD2 HIS 64 HD2 HIS 64 -41.410 -73.159 38.632 546 HE1 HIS 64 HE1 HIS 64 -42.274 -77.296 38.294 547 HE2 HIS 64 HE2 HIS 64 -40.687 -75.575 39.226 548 H HIS 65 H HIS 65 -46.257 -74.074 34.692 549 HA HIS 65 HA HIS 65 -48.257 -72.036 34.972 550 1HB HIS 65 2HB HIS 65 -48.273 -74.833 33.847 551 2HB HIS 65 1HB HIS 65 -49.757 -73.898 34.001 552 HD1 HIS 65 HD1 HIS 65 -46.482 -73.944 32.143 553 HD2 HIS 65 HD2 HIS 65 -50.118 -71.927 32.096 554 HE1 HIS 65 HE1 HIS 65 -46.471 -72.576 30.034 555 HE2 HIS 65 HE2 HIS 65 -48.572 -71.187 30.159 556 H HIS 66 H HIS 66 -48.889 -71.671 36.986 557 HA HIS 66 HA HIS 66 -48.871 -73.457 39.087 558 1HB HIS 66 2HB HIS 66 -50.566 -71.849 40.167 559 2HB HIS 66 1HB HIS 66 -48.978 -71.234 39.747 560 HD1 HIS 66 HD1 HIS 66 -49.794 -68.826 39.631 561 HD2 HIS 66 HD2 HIS 66 -51.782 -71.364 37.002 562 HE1 HIS 66 HE1 HIS 66 -51.060 -67.321 38.060 563 HE2 HIS 66 HE2 HIS 66 -52.110 -68.871 36.370 564 H HIS 67 H HIS 67 -49.977 -75.138 39.594 565 HA HIS 67 HA HIS 67 -52.341 -75.883 38.141 566 1HB HIS 67 2HB HIS 67 -50.557 -77.490 38.893 567 2HB HIS 67 1HB HIS 67 -51.099 -77.234 40.546 568 HD1 HIS 67 HD1 HIS 67 -53.319 -78.346 41.254 569 HD2 HIS 67 HD2 HIS 67 -52.215 -79.083 37.314 570 HE1 HIS 67 HE1 HIS 67 -54.787 -80.232 40.479 571 HE2 HIS 67 HE2 HIS 67 -53.886 -80.840 38.208 572 H HIS 68 H HIS 68 -53.720 -74.144 38.735 573 HA HIS 68 HA HIS 68 -54.649 -74.211 41.527 574 1HB HIS 68 2HB HIS 68 -53.717 -72.060 41.025 575 2HB HIS 68 1HB HIS 68 -54.598 -71.965 39.503 576 HD1 HIS 68 HD1 HIS 68 -56.700 -70.681 39.557 577 HD2 HIS 68 HD2 HIS 68 -55.577 -71.979 43.350 578 HE1 HIS 68 HE1 HIS 68 -58.379 -69.683 41.141 579 HE2 HIS 68 HE2 HIS 68 -57.779 -70.618 43.400 580 H HIS 69 H HIS 69 -56.658 -74.841 41.904 581 HA HIS 69 HA HIS 69 -58.736 -74.317 39.940 582 1HB HIS 69 2HB HIS 69 -57.960 -76.627 39.437 583 2HB HIS 69 1HB HIS 69 -58.306 -77.085 41.101 584 HD1 HIS 69 HD1 HIS 69 -60.766 -77.467 41.744 585 HD2 HIS 69 HD2 HIS 69 -60.231 -76.294 37.786 586 HE1 HIS 69 HE1 HIS 69 -62.985 -77.839 40.620 587 HE2 HIS 69 HE2 HIS 69 -62.579 -77.326 38.188 588 1H MET 1 1H MET 1 -3.326 -14.686 0.662 589 2H MET 1 2H MET 1 -4.553 -15.744 1.141 590 3H MET 1 3H MET 1 -3.443 -16.218 -0.050 591 HA MET 1 HA MET 1 -2.974 -17.246 2.093 592 1HB MET 1 2HB MET 1 -0.982 -15.245 1.019 593 2HB MET 1 1HB MET 1 -0.574 -16.429 2.251 594 1HG MET 1 2HG MET 1 0.149 -17.214 0.113 595 2HG MET 1 1HG MET 1 -1.172 -18.227 0.689 596 1HE MET 1 1HE MET 1 -0.079 -18.184 -2.294 597 2HE MET 1 2HE MET 1 -1.581 -18.218 -3.220 598 3HE MET 1 3HE MET 1 -1.405 -19.223 -1.781 599 HA PRO 2 HA PRO 2 -3.318 -14.699 5.756 600 1HB PRO 2 2HB PRO 2 -1.664 -16.061 7.434 601 2HB PRO 2 1HB PRO 2 -3.291 -16.614 7.025 602 1HG PRO 2 2HG PRO 2 -0.654 -17.506 5.922 603 2HG PRO 2 1HG PRO 2 -2.074 -18.474 6.363 604 1HD PRO 2 2HD PRO 2 -1.499 -17.811 3.799 605 2HD PRO 2 1HD PRO 2 -3.159 -18.021 4.390 606 H LYS 3 H LYS 3 -0.326 -15.483 4.225 607 HA LYS 3 HA LYS 3 1.331 -13.598 5.584 608 1HB LYS 3 2HB LYS 3 1.665 -14.715 2.794 609 2HB LYS 3 1HB LYS 3 2.909 -13.960 3.777 610 1HG LYS 3 2HG LYS 3 2.817 -15.802 5.350 611 2HG LYS 3 1HG LYS 3 1.519 -16.553 4.416 612 1HD LYS 3 2HD LYS 3 4.313 -15.985 3.427 613 2HD LYS 3 1HD LYS 3 3.701 -17.568 3.917 614 1HE LYS 3 2HE LYS 3 1.980 -17.386 2.130 615 2HE LYS 3 1HE LYS 3 2.733 -15.880 1.611 616 1HZ LYS 3 1HZ LYS 3 3.912 -18.604 1.549 617 2HZ LYS 3 2HZ LYS 3 4.820 -17.198 1.287 618 3HZ LYS 3 3HZ LYS 3 3.555 -17.596 0.228 619 H ILE 4 H ILE 4 2.293 -11.694 4.404 620 HA ILE 4 HA ILE 4 0.191 -10.237 3.056 621 HB ILE 4 HB ILE 4 1.561 -8.273 3.357 622 1HG1 ILE 4 2HG1 ILE 4 3.771 -9.538 3.224 623 2HG1 ILE 4 1HG1 ILE 4 3.663 -8.212 4.357 624 1HG2 ILE 4 1HG2 ILE 4 1.232 -9.880 5.869 625 2HG2 ILE 4 2HG2 ILE 4 0.019 -8.855 5.102 626 3HG2 ILE 4 3HG2 ILE 4 1.468 -8.132 5.801 627 1HD1 ILE 4 1HD1 ILE 4 4.783 -9.810 5.568 628 2HD1 ILE 4 2HD1 ILE 4 3.844 -11.131 4.885 629 3HD1 ILE 4 3HD1 ILE 4 3.116 -10.065 6.088 630 H ILE 5 H ILE 5 0.180 -9.835 0.982 631 HA ILE 5 HA ILE 5 2.321 -10.900 -0.682 632 HB ILE 5 HB ILE 5 -0.215 -9.596 -1.641 633 1HG1 ILE 5 2HG1 ILE 5 -0.839 -11.356 -0.028 634 2HG1 ILE 5 1HG1 ILE 5 -1.295 -11.792 -1.671 635 1HG2 ILE 5 1HG2 ILE 5 1.505 -9.993 -3.316 636 2HG2 ILE 5 2HG2 ILE 5 0.096 -11.014 -3.602 637 3HG2 ILE 5 3HG2 ILE 5 1.550 -11.700 -2.877 638 1HD1 ILE 5 1HD1 ILE 5 1.116 -12.810 -0.180 639 2HD1 ILE 5 2HD1 ILE 5 0.644 -13.256 -1.821 640 3HD1 ILE 5 3HD1 ILE 5 -0.388 -13.691 -0.460 641 H GLU 6 H GLU 6 3.323 -9.621 -2.311 642 HA GLU 6 HA GLU 6 3.067 -6.713 -2.005 643 1HB GLU 6 2HB GLU 6 5.557 -8.351 -2.478 644 2HB GLU 6 1HB GLU 6 5.491 -6.616 -2.678 645 1HG GLU 6 2HG GLU 6 4.866 -6.408 -0.303 646 2HG GLU 6 1HG GLU 6 5.046 -8.154 -0.137 647 H ALA 7 H ALA 7 2.661 -5.640 -3.863 648 HA ALA 7 HA ALA 7 3.190 -6.961 -6.431 649 1HB ALA 7 1HB ALA 7 0.456 -5.937 -5.605 650 2HB ALA 7 2HB ALA 7 0.907 -7.629 -5.811 651 3HB ALA 7 3HB ALA 7 0.894 -6.546 -7.202 652 H VAL 8 H VAL 8 2.909 -5.394 -8.267 653 HA VAL 8 HA VAL 8 3.006 -2.584 -7.433 654 HB VAL 8 HB VAL 8 4.577 -2.287 -9.420 655 1HG1 VAL 8 1HG1 VAL 8 5.295 -2.083 -7.094 656 2HG1 VAL 8 2HG1 VAL 8 6.550 -2.818 -8.092 657 3HG1 VAL 8 3HG1 VAL 8 5.567 -3.826 -7.030 658 1HG2 VAL 8 1HG2 VAL 8 4.289 -4.438 -10.483 659 2HG2 VAL 8 2HG2 VAL 8 4.882 -5.256 -9.037 660 3HG2 VAL 8 3HG2 VAL 8 5.968 -4.239 -9.984 661 H TYR 9 H TYR 9 1.312 -1.544 -8.231 662 HA TYR 9 HA TYR 9 -0.295 -2.323 -10.457 663 1HB TYR 9 2HB TYR 9 -1.031 -0.887 -8.561 664 2HB TYR 9 1HB TYR 9 0.048 0.381 -9.105 665 HD1 TYR 9 HD1 TYR 9 -3.210 -0.298 -8.810 666 HD2 TYR 9 HD2 TYR 9 -0.473 0.744 -11.898 667 HE1 TYR 9 HE1 TYR 9 -5.045 0.730 -10.078 668 HE2 TYR 9 HE2 TYR 9 -2.297 1.772 -13.180 669 HH TYR 9 HH TYR 9 -5.365 2.394 -11.820 670 H GLU 10 H GLU 10 0.591 -2.520 -12.335 671 HA GLU 10 HA GLU 10 1.830 -0.164 -13.565 672 1HB GLU 10 2HB GLU 10 2.615 -3.048 -13.695 673 2HB GLU 10 1HB GLU 10 2.958 -1.982 -15.032 674 1HG GLU 10 2HG GLU 10 4.254 -0.538 -13.486 675 2HG GLU 10 1HG GLU 10 3.953 -1.709 -12.203 676 H ASN 11 H ASN 11 0.863 0.457 -15.343 677 HA ASN 11 HA ASN 11 -0.346 0.463 -17.266 678 1HB ASN 11 2HB ASN 11 1.292 -1.677 -17.419 679 2HB ASN 11 1HB ASN 11 -0.267 -2.470 -17.561 680 1HD2 ASN 11 1HD2 ASN 11 -1.487 -2.193 -19.386 681 2HD2 ASN 11 2HD2 ASN 11 -0.885 -1.420 -20.816 682 H GLY 12 H GLY 12 -1.836 0.219 -14.798 683 1HA GLY 12 2HA GLY 12 -4.291 -0.189 -14.881 684 2HA GLY 12 1HA GLY 12 -3.904 -1.687 -15.703 685 H VAL 13 H VAL 13 -2.024 -2.830 -14.292 686 HA VAL 13 HA VAL 13 -3.920 -3.638 -12.167 687 HB VAL 13 HB VAL 13 -3.436 -5.905 -12.663 688 1HG1 VAL 13 1HG1 VAL 13 -3.652 -4.408 -15.268 689 2HG1 VAL 13 2HG1 VAL 13 -4.998 -4.748 -14.174 690 3HG1 VAL 13 3HG1 VAL 13 -4.155 -6.074 -14.982 691 1HG2 VAL 13 1HG2 VAL 13 -1.024 -5.715 -13.035 692 2HG2 VAL 13 2HG2 VAL 13 -1.325 -4.934 -14.587 693 3HG2 VAL 13 3HG2 VAL 13 -1.802 -6.614 -14.337 694 H PHE 14 H PHE 14 -3.100 -4.633 -10.280 695 HA PHE 14 HA PHE 14 -0.380 -3.928 -9.578 696 1HB PHE 14 2HB PHE 14 -2.540 -5.416 -8.064 697 2HB PHE 14 1HB PHE 14 -0.948 -5.081 -7.417 698 HD1 PHE 14 HD1 PHE 14 -0.294 -2.783 -6.872 699 HD2 PHE 14 HD2 PHE 14 -4.245 -3.760 -8.098 700 HE1 PHE 14 HE1 PHE 14 -1.101 -0.656 -5.944 701 HE2 PHE 14 HE2 PHE 14 -5.062 -1.628 -7.174 702 HZ PHE 14 HZ PHE 14 -3.487 -0.072 -6.090 703 H LYS 15 H LYS 15 1.166 -5.163 -10.288 704 HA LYS 15 HA LYS 15 0.695 -7.995 -10.824 705 1HB LYS 15 2HB LYS 15 3.022 -6.156 -11.457 706 2HB LYS 15 1HB LYS 15 2.917 -7.841 -11.927 707 1HG LYS 15 2HG LYS 15 1.346 -7.436 -13.547 708 2HG LYS 15 1HG LYS 15 0.764 -5.964 -12.765 709 1HD LYS 15 2HD LYS 15 2.051 -5.525 -14.837 710 2HD LYS 15 1HD LYS 15 2.762 -4.775 -13.408 711 1HE LYS 15 2HE LYS 15 4.292 -6.740 -13.242 712 2HE LYS 15 1HE LYS 15 3.670 -7.291 -14.796 713 1HZ LYS 15 1HZ LYS 15 4.418 -5.154 -15.751 714 2HZ LYS 15 2HZ LYS 15 5.694 -6.084 -15.136 715 3HZ LYS 15 3HZ LYS 15 5.117 -4.752 -14.257 716 HA PRO 16 HA PRO 16 2.574 -8.545 -6.767 717 1HB PRO 16 2HB PRO 16 2.665 -11.295 -6.910 718 2HB PRO 16 1HB PRO 16 1.277 -10.362 -6.348 719 1HG PRO 16 2HG PRO 16 1.750 -11.627 -9.005 720 2HG PRO 16 1HG PRO 16 0.245 -11.462 -8.085 721 1HD PRO 16 2HD PRO 16 0.864 -9.898 -10.204 722 2HD PRO 16 1HD PRO 16 -0.127 -9.327 -8.848 723 H LEU 17 H LEU 17 4.505 -9.499 -5.951 724 HA LEU 17 HA LEU 17 6.522 -10.085 -8.014 725 1HB LEU 17 2HB LEU 17 6.881 -8.973 -5.221 726 2HB LEU 17 1HB LEU 17 8.203 -9.451 -6.265 727 HG LEU 17 HG LEU 17 7.172 -7.704 -7.920 728 1HD1 LEU 17 1HD1 LEU 17 5.143 -7.267 -6.656 729 2HD1 LEU 17 2HD1 LEU 17 6.125 -5.809 -6.802 730 3HD1 LEU 17 3HD1 LEU 17 6.103 -6.710 -5.286 731 1HD2 LEU 17 1HD2 LEU 17 9.381 -7.539 -6.897 732 2HD2 LEU 17 2HD2 LEU 17 8.661 -6.879 -5.429 733 3HD2 LEU 17 3HD2 LEU 17 8.582 -5.967 -6.937 734 H GLN 18 H GLN 18 4.608 -11.231 -5.569 735 HA GLN 18 HA GLN 18 6.241 -13.688 -5.393 736 1HB GLN 18 2HB GLN 18 5.268 -14.119 -3.174 737 2HB GLN 18 1HB GLN 18 6.203 -12.632 -3.214 738 1HG GLN 18 2HG GLN 18 4.183 -11.317 -3.302 739 2HG GLN 18 1HG GLN 18 3.203 -12.780 -3.391 740 1HE2 GLN 18 1HE2 GLN 18 5.161 -10.759 -1.351 741 2HE2 GLN 18 2HE2 GLN 18 4.660 -11.449 0.151 742 H LYS 19 H LYS 19 4.929 -15.670 -5.005 743 HA LYS 19 HA LYS 19 2.938 -15.756 -7.049 744 1HB LYS 19 2HB LYS 19 4.618 -17.512 -6.780 745 2HB LYS 19 1HB LYS 19 3.940 -17.927 -5.214 746 1HG LYS 19 2HG LYS 19 1.847 -18.555 -6.291 747 2HG LYS 19 1HG LYS 19 2.537 -18.128 -7.857 748 1HD LYS 19 2HD LYS 19 4.295 -19.828 -7.509 749 2HD LYS 19 1HD LYS 19 3.514 -20.290 -5.995 750 1HE LYS 19 2HE LYS 19 2.877 -21.814 -7.772 751 2HE LYS 19 1HE LYS 19 1.484 -20.880 -7.230 752 1HZ LYS 19 1HZ LYS 19 1.731 -19.438 -9.145 753 2HZ LYS 19 2HZ LYS 19 1.576 -21.053 -9.645 754 3HZ LYS 19 3HZ LYS 19 3.100 -20.303 -9.658 755 H VAL 20 H VAL 20 0.840 -15.855 -6.898 756 HA VAL 20 HA VAL 20 -0.462 -16.364 -4.311 757 HB VAL 20 HB VAL 20 -1.699 -14.370 -6.140 758 1HG1 VAL 20 1HG1 VAL 20 -2.949 -15.161 -4.231 759 2HG1 VAL 20 2HG1 VAL 20 -2.554 -13.455 -4.029 760 3HG1 VAL 20 3HG1 VAL 20 -1.647 -14.681 -3.143 761 1HG2 VAL 20 1HG2 VAL 20 0.499 -13.654 -4.195 762 2HG2 VAL 20 2HG2 VAL 20 -0.558 -12.504 -5.016 763 3HG2 VAL 20 3HG2 VAL 20 0.560 -13.496 -5.950 764 H ASP 21 H ASP 21 -2.229 -17.476 -4.362 765 HA ASP 21 HA ASP 21 -3.719 -17.729 -6.823 766 1HB ASP 21 2HB ASP 21 -2.145 -19.592 -6.849 767 2HB ASP 21 1HB ASP 21 -2.721 -20.102 -5.276 768 H LEU 22 H LEU 22 -5.002 -16.431 -5.624 769 HA LEU 22 HA LEU 22 -6.620 -17.822 -3.617 770 1HB LEU 22 2HB LEU 22 -6.544 -14.920 -4.420 771 2HB LEU 22 1HB LEU 22 -7.501 -15.591 -3.129 772 HG LEU 22 HG LEU 22 -4.497 -15.568 -3.210 773 1HD1 LEU 22 1HD1 LEU 22 -5.405 -13.334 -2.913 774 2HD1 LEU 22 2HD1 LEU 22 -4.662 -13.914 -1.422 775 3HD1 LEU 22 3HD1 LEU 22 -6.418 -13.908 -1.589 776 1HD2 LEU 22 1HD2 LEU 22 -6.407 -16.427 -1.043 777 2HD2 LEU 22 2HD2 LEU 22 -4.653 -16.326 -0.891 778 3HD2 LEU 22 3HD2 LEU 22 -5.377 -17.487 -2.006 779 H LYS 23 H LYS 23 -6.512 -17.157 -6.760 780 HA LYS 23 HA LYS 23 -7.673 -17.907 -8.470 781 1HB LYS 23 2HB LYS 23 -9.745 -18.581 -6.405 782 2HB LYS 23 1HB LYS 23 -9.818 -18.992 -8.104 783 1HG LYS 23 2HG LYS 23 -7.876 -20.381 -7.946 784 2HG LYS 23 1HG LYS 23 -7.595 -19.850 -6.289 785 1HD LYS 23 2HD LYS 23 -9.652 -20.922 -5.574 786 2HD LYS 23 1HD LYS 23 -9.994 -21.408 -7.235 787 1HE LYS 23 2HE LYS 23 -9.046 -23.248 -5.904 788 2HE LYS 23 1HE LYS 23 -8.012 -22.808 -7.262 789 1HZ LYS 23 1HZ LYS 23 -6.555 -21.632 -5.787 790 2HZ LYS 23 2HZ LYS 23 -6.800 -23.186 -5.156 791 3HZ LYS 23 3HZ LYS 23 -7.606 -21.860 -4.473 792 H GLU 24 H GLU 24 -9.571 -17.362 -9.787 793 HA GLU 24 HA GLU 24 -9.272 -14.632 -10.144 794 1HB GLU 24 2HB GLU 24 -11.415 -16.335 -11.413 795 2HB GLU 24 1HB GLU 24 -10.670 -14.888 -12.056 796 1HG GLU 24 2HG GLU 24 -9.558 -16.439 -13.271 797 2HG GLU 24 1HG GLU 24 -8.482 -16.335 -11.878 798 H GLY 25 H GLY 25 -10.361 -12.936 -9.855 799 1HA GLY 25 2HA GLY 25 -11.542 -11.481 -8.579 800 2HA GLY 25 1HA GLY 25 -12.921 -12.494 -8.968 801 H GLU 26 H GLU 26 -10.024 -12.832 -6.973 802 HA GLU 26 HA GLU 26 -11.750 -13.481 -4.724 803 1HB GLU 26 2HB GLU 26 -9.263 -14.438 -5.540 804 2HB GLU 26 1HB GLU 26 -8.889 -13.380 -4.173 805 1HG GLU 26 2HG GLU 26 -10.693 -15.764 -4.245 806 2HG GLU 26 1HG GLU 26 -9.237 -15.514 -3.315 807 H ARG 27 H ARG 27 -12.064 -12.188 -3.002 808 HA ARG 27 HA ARG 27 -11.493 -9.409 -3.296 809 1HB ARG 27 2HB ARG 27 -13.621 -10.203 -2.433 810 2HB ARG 27 1HB ARG 27 -12.808 -10.924 -1.061 811 1HG ARG 27 2HG ARG 27 -13.802 -8.883 -0.360 812 2HG ARG 27 1HG ARG 27 -12.051 -8.661 -0.401 813 1HD ARG 27 2HD ARG 27 -13.024 -6.738 -1.373 814 2HD ARG 27 1HD ARG 27 -12.327 -7.669 -2.681 815 HE ARG 27 HE ARG 27 -14.645 -8.461 -3.121 816 1HH1 ARG 27 1HH1 ARG 27 -14.209 -5.497 -1.302 817 2HH1 ARG 27 2HH1 ARG 27 -15.645 -4.749 -1.943 818 1HH2 ARG 27 1HH2 ARG 27 -16.563 -7.474 -3.924 819 2HH2 ARG 27 2HH2 ARG 27 -16.982 -5.869 -3.409 820 H VAL 28 H VAL 28 -9.804 -8.467 -2.653 821 HA VAL 28 HA VAL 28 -8.267 -9.475 -0.360 822 HB VAL 28 HB VAL 28 -6.161 -8.916 -1.558 823 1HG1 VAL 28 1HG1 VAL 28 -7.023 -11.224 -1.515 824 2HG1 VAL 28 2HG1 VAL 28 -6.113 -10.880 -2.986 825 3HG1 VAL 28 3HG1 VAL 28 -7.876 -10.917 -3.026 826 1HG2 VAL 28 1HG2 VAL 28 -7.045 -7.297 -3.145 827 2HG2 VAL 28 2HG2 VAL 28 -7.989 -8.562 -3.931 828 3HG2 VAL 28 3HG2 VAL 28 -6.227 -8.605 -4.004 829 H LYS 29 H LYS 29 -6.923 -7.858 0.696 830 HA LYS 29 HA LYS 29 -7.955 -5.144 0.280 831 1HB LYS 29 2HB LYS 29 -6.720 -6.364 2.737 832 2HB LYS 29 1HB LYS 29 -7.352 -4.739 2.598 833 1HG LYS 29 2HG LYS 29 -8.900 -7.302 2.470 834 2HG LYS 29 1HG LYS 29 -8.956 -6.071 3.720 835 1HD LYS 29 2HD LYS 29 -9.889 -4.478 2.130 836 2HD LYS 29 1HD LYS 29 -9.865 -5.727 0.881 837 1HE LYS 29 2HE LYS 29 -12.086 -5.524 1.859 838 2HE LYS 29 1HE LYS 29 -11.381 -7.098 2.222 839 1HZ LYS 29 1HZ LYS 29 -11.727 -4.788 4.047 840 2HZ LYS 29 2HZ LYS 29 -10.671 -6.055 4.411 841 3HZ LYS 29 3HZ LYS 29 -12.325 -6.366 4.221 842 H ILE 30 H ILE 30 -6.626 -3.535 -0.048 843 HA ILE 30 HA ILE 30 -3.778 -4.186 -0.511 844 HB ILE 30 HB ILE 30 -5.095 -1.844 -1.803 845 1HG1 ILE 30 2HG1 ILE 30 -6.626 -3.760 -2.257 846 2HG1 ILE 30 1HG1 ILE 30 -5.852 -3.134 -3.712 847 1HG2 ILE 30 1HG2 ILE 30 -2.706 -2.111 -2.015 848 2HG2 ILE 30 2HG2 ILE 30 -3.481 -2.331 -3.585 849 3HG2 ILE 30 3HG2 ILE 30 -2.926 -3.733 -2.673 850 1HD1 ILE 30 1HD1 ILE 30 -5.053 -5.612 -2.199 851 2HD1 ILE 30 2HD1 ILE 30 -4.276 -4.998 -3.660 852 3HD1 ILE 30 3HD1 ILE 30 -5.948 -5.558 -3.719 853 H LYS 31 H LYS 31 -2.271 -2.833 0.263 854 HA LYS 31 HA LYS 31 -3.045 -0.245 1.319 855 1HB LYS 31 2HB LYS 31 -0.982 -1.204 2.997 856 2HB LYS 31 1HB LYS 31 -2.636 -0.798 3.416 857 1HG LYS 31 2HG LYS 31 -3.317 -3.056 2.826 858 2HG LYS 31 1HG LYS 31 -1.632 -3.467 2.534 859 1HD LYS 31 2HD LYS 31 -1.074 -3.054 4.831 860 2HD LYS 31 1HD LYS 31 -2.697 -2.441 5.158 861 1HE LYS 31 2HE LYS 31 -2.049 -5.247 4.278 862 2HE LYS 31 1HE LYS 31 -2.356 -4.763 5.944 863 1HZ LYS 31 1HZ LYS 31 -4.593 -4.153 5.366 864 2HZ LYS 31 2HZ LYS 31 -4.310 -5.732 4.824 865 3HZ LYS 31 3HZ LYS 31 -4.304 -4.452 3.722 866 H LEU 32 H LEU 32 -1.136 1.094 1.665 867 HA LEU 32 HA LEU 32 0.580 0.776 -0.685 868 1HB LEU 32 2HB LEU 32 -0.068 3.248 0.921 869 2HB LEU 32 1HB LEU 32 0.861 3.193 -0.560 870 HG LEU 32 HG LEU 32 -2.054 2.477 -0.301 871 1HD1 LEU 32 1HD1 LEU 32 -2.441 4.514 -1.610 872 2HD1 LEU 32 2HD1 LEU 32 -0.720 4.892 -1.512 873 3HD1 LEU 32 3HD1 LEU 32 -1.701 4.860 -0.046 874 1HD2 LEU 32 1HD2 LEU 32 -2.047 2.376 -2.734 875 2HD2 LEU 32 2HD2 LEU 32 -0.933 1.190 -2.050 876 3HD2 LEU 32 3HD2 LEU 32 -0.312 2.685 -2.755 877 H GLU 33 H GLU 33 2.779 0.729 -0.535 878 HA GLU 33 HA GLU 33 3.863 0.712 2.180 879 1HB GLU 33 2HB GLU 33 4.620 -0.609 -0.343 880 2HB GLU 33 1HB GLU 33 5.904 -0.198 0.759 881 1HG GLU 33 2HG GLU 33 3.506 -1.868 1.443 882 2HG GLU 33 1HG GLU 33 5.111 -2.489 1.055 883 H LEU 34 H LEU 34 5.523 1.844 2.773 884 HA LEU 34 HA LEU 34 7.170 3.347 1.007 885 1HB LEU 34 2HB LEU 34 6.864 5.463 2.211 886 2HB LEU 34 1HB LEU 34 5.450 5.000 1.296 887 HG LEU 34 HG LEU 34 5.592 4.270 4.174 888 1HD1 LEU 34 1HD1 LEU 34 4.631 6.456 4.781 889 2HD1 LEU 34 2HD1 LEU 34 4.914 7.021 3.134 890 3HD1 LEU 34 3HD1 LEU 34 6.279 6.603 4.170 891 1HD2 LEU 34 1HD2 LEU 34 3.712 3.489 2.847 892 2HD2 LEU 34 2HD2 LEU 34 3.362 5.141 2.340 893 3HD2 LEU 34 3HD2 LEU 34 3.169 4.681 4.031 894 H LYS 35 H LYS 35 9.103 4.072 2.144 895 HA LYS 35 HA LYS 35 9.488 2.492 4.570 896 1HB LYS 35 2HB LYS 35 11.445 3.292 2.427 897 2HB LYS 35 1HB LYS 35 11.856 2.424 3.881 898 1HG LYS 35 2HG LYS 35 10.446 0.557 3.210 899 2HG LYS 35 1HG LYS 35 9.970 1.441 1.762 900 1HD LYS 35 2HD LYS 35 12.315 1.441 1.012 901 2HD LYS 35 1HD LYS 35 12.759 0.509 2.444 902 1HE LYS 35 2HE LYS 35 10.782 -0.392 0.348 903 2HE LYS 35 1HE LYS 35 12.476 -0.875 0.400 904 1HZ LYS 35 1HZ LYS 35 10.465 -1.418 2.524 905 2HZ LYS 35 2HZ LYS 35 12.092 -1.906 2.542 906 3HZ LYS 35 3HZ LYS 35 11.029 -2.543 1.389 907 H VAL 36 H VAL 36 10.853 3.313 6.176 908 HA VAL 36 HA VAL 36 10.605 6.158 6.565 909 HB VAL 36 HB VAL 36 10.308 4.515 8.420 910 1HG1 VAL 36 1HG1 VAL 36 12.061 2.939 7.873 911 2HG1 VAL 36 2HG1 VAL 36 12.304 3.564 9.505 912 3HG1 VAL 36 3HG1 VAL 36 13.292 4.165 8.172 913 1HG2 VAL 36 1HG2 VAL 36 11.517 5.783 10.116 914 2HG2 VAL 36 2HG2 VAL 36 10.747 6.838 8.930 915 3HG2 VAL 36 3HG2 VAL 36 12.485 6.544 8.854 916 H GLU 37 H GLU 37 12.493 7.493 7.171 917 HA GLU 37 HA GLU 37 14.350 7.667 5.176 918 1HB GLU 37 2HB GLU 37 15.608 9.126 6.757 919 2HB GLU 37 1HB GLU 37 13.911 9.528 6.604 920 1HG GLU 37 2HG GLU 37 13.410 8.568 8.712 921 2HG GLU 37 1HG GLU 37 15.011 7.837 8.827 922 HA PRO 38 HA PRO 38 17.102 4.377 6.527 923 1HB PRO 38 2HB PRO 38 18.078 3.749 4.129 924 2HB PRO 38 1HB PRO 38 16.418 3.331 4.569 925 1HG PRO 38 2HG PRO 38 17.419 5.519 2.813 926 2HG PRO 38 1HG PRO 38 15.950 4.541 2.665 927 1HD PRO 38 2HD PRO 38 16.122 7.131 3.752 928 2HD PRO 38 1HD PRO 38 14.750 6.019 3.894 929 H ILE 39 H ILE 39 19.453 4.007 6.185 930 HA ILE 39 HA ILE 39 20.984 6.399 5.532 931 HB ILE 39 HB ILE 39 22.459 5.780 7.485 932 1HG1 ILE 39 2HG1 ILE 39 20.013 4.271 8.382 933 2HG1 ILE 39 1HG1 ILE 39 21.521 3.533 7.853 934 1HG2 ILE 39 1HG2 ILE 39 21.056 7.749 7.546 935 2HG2 ILE 39 2HG2 ILE 39 21.087 6.977 9.130 936 3HG2 ILE 39 3HG2 ILE 39 19.687 6.771 8.081 937 1HD1 ILE 39 1HD1 ILE 39 21.311 3.565 10.283 938 2HD1 ILE 39 2HD1 ILE 39 21.199 5.326 10.249 939 3HD1 ILE 39 3HD1 ILE 39 22.683 4.527 9.733 940 H ASP 40 H ASP 40 23.053 5.959 4.737 941 HA ASP 40 HA ASP 40 23.521 3.174 4.002 942 1HB ASP 40 2HB ASP 40 23.877 5.113 2.373 943 2HB ASP 40 1HB ASP 40 25.300 5.519 3.331 944 H LEU 41 H LEU 41 25.262 1.992 4.745 945 HA LEU 41 HA LEU 41 25.952 2.460 7.418 946 1HB LEU 41 2HB LEU 41 27.210 0.591 5.411 947 2HB LEU 41 1HB LEU 41 27.559 0.575 7.126 948 HG LEU 41 HG LEU 41 26.049 -1.176 6.812 949 1HD1 LEU 41 1HD1 LEU 41 24.001 -0.491 7.968 950 2HD1 LEU 41 2HD1 LEU 41 24.418 1.201 7.691 951 3HD1 LEU 41 3HD1 LEU 41 25.444 0.196 8.715 952 1HD2 LEU 41 1HD2 LEU 41 25.335 -0.678 4.552 953 2HD2 LEU 41 2HD2 LEU 41 24.364 0.674 5.133 954 3HD2 LEU 41 3HD2 LEU 41 23.933 -0.976 5.581 955 H GLY 42 H GLY 42 27.358 3.861 8.226 956 1HA GLY 42 2HA GLY 42 29.343 5.040 6.465 957 2HA GLY 42 1HA GLY 42 28.845 5.663 8.028 958 H GLU 43 H GLU 43 31.168 4.129 6.369 959 HA GLU 43 HA GLU 43 32.279 2.501 8.439 960 1HB GLU 43 2HB GLU 43 34.290 2.467 6.934 961 2HB GLU 43 1HB GLU 43 32.809 1.883 6.201 962 1HG GLU 43 2HG GLU 43 33.651 4.726 5.828 963 2HG GLU 43 1HG GLU 43 34.390 3.440 4.874 964 HA PRO 44 HA PRO 44 34.399 5.555 10.819 965 1HB PRO 44 2HB PRO 44 36.654 3.647 11.002 966 2HB PRO 44 1HB PRO 44 35.675 4.360 12.290 967 1HG PRO 44 2HG PRO 44 35.403 1.788 11.601 968 2HG PRO 44 1HG PRO 44 34.005 2.767 12.081 969 1HD PRO 44 2HD PRO 44 34.895 1.945 9.347 970 2HD PRO 44 1HD PRO 44 33.253 2.042 10.018 971 H VAL 45 H VAL 45 35.546 7.268 10.179 972 HA VAL 45 HA VAL 45 37.151 7.141 7.784 973 HB VAL 45 HB VAL 45 37.037 9.501 9.641 974 1HG1 VAL 45 1HG1 VAL 45 38.625 9.609 7.807 975 2HG1 VAL 45 2HG1 VAL 45 37.326 10.782 7.586 976 3HG1 VAL 45 3HG1 VAL 45 37.329 9.283 6.655 977 1HG2 VAL 45 1HG2 VAL 45 34.724 8.813 9.302 978 2HG2 VAL 45 2HG2 VAL 45 34.981 8.768 7.559 979 3HG2 VAL 45 3HG2 VAL 45 35.058 10.305 8.420 980 H SER 46 H SER 46 39.382 7.644 7.670 981 HA SER 46 HA SER 46 40.831 6.767 10.046 982 1HB SER 46 2HB SER 46 41.808 6.970 7.196 983 2HB SER 46 1HB SER 46 42.606 6.164 8.536 984 HG SER 46 HG SER 46 40.037 5.426 7.596 985 H VAL 47 H VAL 47 43.073 7.731 10.244 986 HA VAL 47 HA VAL 47 42.901 10.629 9.886 987 HB VAL 47 HB VAL 47 43.325 9.920 12.183 988 1HG1 VAL 47 1HG1 VAL 47 45.809 8.606 11.093 989 2HG1 VAL 47 2HG1 VAL 47 44.405 7.784 11.775 990 3HG1 VAL 47 3HG1 VAL 47 45.419 8.797 12.803 991 1HG2 VAL 47 1HG2 VAL 47 45.744 11.195 10.911 992 2HG2 VAL 47 2HG2 VAL 47 45.358 11.232 12.631 993 3HG2 VAL 47 3HG2 VAL 47 44.297 12.031 11.471 994 H GLU 48 H GLU 48 44.364 11.719 8.654 995 HA GLU 48 HA GLU 48 45.988 10.055 6.885 996 1HB GLU 48 2HB GLU 48 45.052 12.913 6.592 997 2HB GLU 48 1HB GLU 48 45.957 12.013 5.382 998 1HG GLU 48 2HG GLU 48 44.134 10.483 5.080 999 2HG GLU 48 1HG GLU 48 43.244 11.215 6.413 1000 H GLU 49 H GLU 49 48.137 10.538 6.431 1001 HA GLU 49 HA GLU 49 49.600 11.885 8.516 1002 1HB GLU 49 2HB GLU 49 51.599 11.195 7.331 1003 2HB GLU 49 1HB GLU 49 50.491 9.837 7.423 1004 1HG GLU 49 2HG GLU 49 50.724 11.609 5.006 1005 2HG GLU 49 1HG GLU 49 51.692 10.158 5.239 1006 H ILE 50 H ILE 50 48.461 12.512 5.345 1007 HA ILE 50 HA ILE 50 49.894 15.038 5.077 1008 HB ILE 50 HB ILE 50 48.667 15.210 2.923 1009 1HG1 ILE 50 2HG1 ILE 50 47.668 12.440 3.630 1010 2HG1 ILE 50 1HG1 ILE 50 46.681 13.899 3.594 1011 1HG2 ILE 50 1HG2 ILE 50 50.893 14.233 2.992 1012 2HG2 ILE 50 2HG2 ILE 50 49.901 13.405 1.791 1013 3HG2 ILE 50 3HG2 ILE 50 50.206 12.649 3.355 1014 1HD1 ILE 50 1HD1 ILE 50 48.081 12.642 1.245 1015 2HD1 ILE 50 2HD1 ILE 50 47.120 14.122 1.200 1016 3HD1 ILE 50 3HD1 ILE 50 46.353 12.583 1.591 1017 H LYS 51 H LYS 51 47.654 14.320 7.038 1018 HA LYS 51 HA LYS 51 45.378 15.865 6.286 1019 1HB LYS 51 2HB LYS 51 45.530 13.876 7.925 1020 2HB LYS 51 1HB LYS 51 46.046 15.071 9.103 1021 1HG LYS 51 2HG LYS 51 43.670 14.631 9.296 1022 2HG LYS 51 1HG LYS 51 43.950 16.292 8.766 1023 1HD LYS 51 2HD LYS 51 43.352 15.783 6.540 1024 2HD LYS 51 1HD LYS 51 43.422 14.046 6.842 1025 1HE LYS 51 2HE LYS 51 41.489 14.231 8.326 1026 2HE LYS 51 1HE LYS 51 41.423 15.968 8.025 1027 1HZ LYS 51 1HZ LYS 51 40.750 15.651 5.848 1028 2HZ LYS 51 2HZ LYS 51 39.906 14.423 6.671 1029 3HZ LYS 51 3HZ LYS 51 41.305 14.046 5.786 1030 H LYS 52 H LYS 52 44.881 17.917 6.725 1031 HA LYS 52 HA LYS 52 46.908 19.626 7.847 1032 1HB LYS 52 2HB LYS 52 44.144 20.252 6.782 1033 2HB LYS 52 1HB LYS 52 45.355 21.434 7.232 1034 1HG LYS 52 2HG LYS 52 45.544 19.433 5.000 1035 2HG LYS 52 1HG LYS 52 45.378 21.185 4.851 1036 1HD LYS 52 2HD LYS 52 47.563 21.544 5.745 1037 2HD LYS 52 1HD LYS 52 47.720 19.850 6.208 1038 1HE LYS 52 2HE LYS 52 49.015 20.223 4.226 1039 2HE LYS 52 1HE LYS 52 47.612 19.243 3.796 1040 1HZ LYS 52 1HZ LYS 52 47.891 22.174 3.374 1041 2HZ LYS 52 2HZ LYS 52 46.518 21.256 2.979 1042 3HZ LYS 52 3HZ LYS 52 47.987 20.981 2.176 1043 H ILE 53 H ILE 53 46.146 21.348 9.466 1044 HA ILE 53 HA ILE 53 45.935 21.653 11.671 1045 HB ILE 53 HB ILE 53 43.385 20.150 11.144 1046 1HG1 ILE 53 2HG1 ILE 53 42.561 22.623 11.496 1047 2HG1 ILE 53 1HG1 ILE 53 44.212 23.024 11.079 1048 1HG2 ILE 53 1HG2 ILE 53 42.553 21.129 13.253 1049 2HG2 ILE 53 2HG2 ILE 53 44.171 21.748 13.581 1050 3HG2 ILE 53 3HG2 ILE 53 43.889 20.009 13.520 1051 1HD1 ILE 53 1HD1 ILE 53 42.727 23.155 9.155 1052 2HD1 ILE 53 2HD1 ILE 53 42.304 21.453 9.360 1053 3HD1 ILE 53 3HD1 ILE 53 43.955 21.909 8.940 1054 H ARG 54 H ARG 54 47.723 20.503 12.233 1055 HA ARG 54 HA ARG 54 48.938 19.070 13.443 1056 1HB ARG 54 2HB ARG 54 47.123 19.076 15.078 1057 2HB ARG 54 1HB ARG 54 46.294 17.805 14.183 1058 1HG ARG 54 2HG ARG 54 48.209 16.327 14.575 1059 2HG ARG 54 1HG ARG 54 48.963 17.587 15.552 1060 1HD ARG 54 2HD ARG 54 47.065 17.544 17.087 1061 2HD ARG 54 1HD ARG 54 46.295 16.293 16.110 1062 HE ARG 54 HE ARG 54 47.970 14.759 16.809 1063 1HH1 ARG 54 1HH1 ARG 54 48.123 17.869 18.428 1064 2HH1 ARG 54 2HH1 ARG 54 49.103 17.270 19.740 1065 1HH2 ARG 54 1HH2 ARG 54 49.212 13.981 18.541 1066 2HH2 ARG 54 2HH2 ARG 54 49.691 15.055 19.821 1067 H ASP 55 H ASP 55 50.041 18.212 11.779 1068 HA ASP 55 HA ASP 55 49.119 16.319 9.931 1069 1HB ASP 55 2HB ASP 55 51.955 16.714 10.913 1070 2HB ASP 55 1HB ASP 55 51.483 15.887 9.438 1071 H GLY 56 H GLY 56 49.480 14.087 9.758 1072 1HA GLY 56 2HA GLY 56 49.535 12.735 12.356 1073 2HA GLY 56 1HA GLY 56 48.943 12.055 10.847 1074 H THR 57 H THR 57 51.279 11.696 13.032 1075 HA THR 57 HA THR 57 52.885 10.108 11.313 1076 HB THR 57 HB THR 57 53.793 12.383 10.798 1077 HG1 THR 57 HG1 THR 57 55.949 11.741 10.990 1078 1HG2 THR 57 1HG2 THR 57 54.651 12.360 13.694 1079 2HG2 THR 57 2HG2 THR 57 53.433 13.420 12.986 1080 3HG2 THR 57 3HG2 THR 57 55.119 13.556 12.486 1081 H TRP 58 H TRP 58 54.922 9.366 12.687 1082 HA TRP 58 HA TRP 58 53.891 8.730 15.355 1083 1HB TRP 58 2HB TRP 58 54.736 6.945 13.715 1084 2HB TRP 58 1HB TRP 58 56.351 7.546 14.064 1085 HD1 TRP 58 HD1 TRP 58 53.320 6.356 16.192 1086 HE1 TRP 58 HE1 TRP 58 54.217 4.873 18.097 1087 HE3 TRP 58 HE3 TRP 58 58.308 6.666 15.145 1088 HZ2 TRP 58 HZ2 TRP 58 56.718 3.965 19.023 1089 HZ3 TRP 58 HZ3 TRP 58 59.888 5.457 16.592 1090 HH2 TRP 58 HH2 TRP 58 59.107 4.136 18.490 1091 H MET 59 H MET 59 54.899 9.385 17.187 1092 HA MET 59 HA MET 59 56.932 11.471 16.789 1093 1HB MET 59 2HB MET 59 54.690 12.063 17.801 1094 2HB MET 59 1HB MET 59 55.143 11.089 19.192 1095 1HG MET 59 2HG MET 59 57.076 12.543 19.575 1096 2HG MET 59 1HG MET 59 56.601 13.522 18.189 1097 1HE MET 59 1HE MET 59 57.113 14.794 21.093 1098 2HE MET 59 2HE MET 59 55.770 15.938 21.110 1099 3HE MET 59 3HE MET 59 56.687 15.675 19.627 1100 H SER 60 H SER 60 58.734 11.592 18.055 1101 HA SER 60 HA SER 60 60.417 11.021 19.444 1102 1HB SER 60 2HB SER 60 58.719 10.511 21.174 1103 2HB SER 60 1HB SER 60 58.603 8.866 20.549 1104 HG SER 60 HG SER 60 60.190 9.595 22.393 1105 H SER 61 H SER 61 62.194 10.009 18.884 1106 HA SER 61 HA SER 61 61.940 7.742 17.052 1107 1HB SER 61 2HB SER 61 64.389 9.410 17.650 1108 2HB SER 61 1HB SER 61 64.177 8.278 16.314 1109 HG SER 61 HG SER 61 62.196 10.129 16.383 1110 H LEU 62 H LEU 62 62.207 8.057 20.236 1111 HA LEU 62 HA LEU 62 63.117 7.010 21.988 1112 1HB LEU 62 2HB LEU 62 61.894 5.176 20.632 1113 2HB LEU 62 1HB LEU 62 63.512 4.600 20.264 1114 HG LEU 62 HG LEU 62 63.831 4.762 22.837 1115 1HD1 LEU 62 1HD1 LEU 62 61.734 5.824 23.353 1116 2HD1 LEU 62 2HD1 LEU 62 61.791 4.223 24.089 1117 3HD1 LEU 62 3HD1 LEU 62 60.846 4.486 22.624 1118 1HD2 LEU 62 1HD2 LEU 62 62.233 2.563 21.539 1119 2HD2 LEU 62 2HD2 LEU 62 63.111 2.423 23.062 1120 3HD2 LEU 62 3HD2 LEU 62 63.991 2.702 21.558 1121 H GLU 63 H GLU 63 64.961 8.265 22.102 1122 HA GLU 63 HA GLU 63 67.370 7.390 20.719 1123 1HB GLU 63 2HB GLU 63 66.401 9.862 21.185 1124 2HB GLU 63 1HB GLU 63 67.406 9.686 22.613 1125 1HG GLU 63 2HG GLU 63 68.456 9.254 19.832 1126 2HG GLU 63 1HG GLU 63 68.441 10.832 20.612 1127 H HIS 64 H HIS 64 69.391 7.195 21.938 1128 HA HIS 64 HA HIS 64 69.002 5.591 24.335 1129 1HB HIS 64 2HB HIS 64 70.516 4.959 22.390 1130 2HB HIS 64 1HB HIS 64 71.580 6.262 22.888 1131 HD1 HIS 64 HD1 HIS 64 70.651 2.764 23.652 1132 HD2 HIS 64 HD2 HIS 64 73.013 5.759 25.308 1133 HE1 HIS 64 HE1 HIS 64 72.114 1.617 25.350 1134 HE2 HIS 64 HE2 HIS 64 73.673 3.420 26.182 1135 H HIS 65 H HIS 65 68.424 8.388 24.539 1136 HA HIS 65 HA HIS 65 70.652 9.704 25.797 1137 1HB HIS 65 2HB HIS 65 68.832 10.899 24.514 1138 2HB HIS 65 1HB HIS 65 67.750 10.554 25.861 1139 HD1 HIS 65 HD1 HIS 65 67.783 12.181 27.783 1140 HD2 HIS 65 HD2 HIS 65 71.067 12.624 25.267 1141 HE1 HIS 65 HE1 HIS 65 68.986 14.236 28.588 1142 HE2 HIS 65 HE2 HIS 65 71.080 14.354 27.192 1143 H HIS 66 H HIS 66 70.976 7.907 27.297 1144 HA HIS 66 HA HIS 66 69.089 7.540 29.428 1145 1HB HIS 66 2HB HIS 66 70.761 6.046 30.411 1146 2HB HIS 66 1HB HIS 66 70.508 5.672 28.713 1147 HD1 HIS 66 HD1 HIS 66 73.124 5.868 31.047 1148 HD2 HIS 66 HD2 HIS 66 72.695 7.150 27.113 1149 HE1 HIS 66 HE1 HIS 66 75.463 6.156 30.165 1150 HE2 HIS 66 HE2 HIS 66 75.185 6.976 27.797 1151 H HIS 67 H HIS 67 68.874 8.750 31.162 1152 HA HIS 67 HA HIS 67 71.061 10.577 31.849 1153 1HB HIS 67 2HB HIS 67 69.296 11.698 33.316 1154 2HB HIS 67 1HB HIS 67 69.104 11.859 31.578 1155 HD1 HIS 67 HD1 HIS 67 66.886 11.224 30.639 1156 HD2 HIS 67 HD2 HIS 67 67.457 9.721 34.481 1157 HE1 HIS 67 HE1 HIS 67 64.685 10.212 31.309 1158 HE2 HIS 67 HE2 HIS 67 65.017 9.408 33.673 1159 H HIS 68 H HIS 68 72.222 10.316 33.615 1160 HA HIS 68 HA HIS 68 71.396 8.165 35.463 1161 1HB HIS 68 2HB HIS 68 73.287 7.557 33.949 1162 2HB HIS 68 1HB HIS 68 74.214 8.888 34.627 1163 HD1 HIS 68 HD1 HIS 68 75.489 8.442 36.753 1164 HD2 HIS 68 HD2 HIS 68 72.788 5.415 35.817 1165 HE1 HIS 68 HE1 HIS 68 75.966 6.578 38.372 1166 HE2 HIS 68 HE2 HIS 68 74.469 4.683 37.648 1167 H HIS 69 H HIS 69 71.489 8.573 37.598 1168 HA HIS 69 HA HIS 69 72.088 11.280 38.440 1169 1HB HIS 69 2HB HIS 69 70.098 10.050 39.305 1170 2HB HIS 69 1HB HIS 69 71.182 8.915 40.104 1171 HD1 HIS 69 HD1 HIS 69 69.551 12.173 40.514 1172 HD2 HIS 69 HD2 HIS 69 72.706 10.107 42.273 1173 HE1 HIS 69 HE1 HIS 69 70.025 13.364 42.679 1174 HE2 HIS 69 HE2 HIS 69 71.860 12.037 43.782 Start of MODEL 3 1 1H MET 1 1H MET 1 -3.971 9.758 -0.435 2 2H MET 1 2H MET 1 -3.070 10.395 0.849 3 3H MET 1 3H MET 1 -4.293 11.327 0.135 4 HA MET 1 HA MET 1 -5.129 10.525 2.181 5 1HB MET 1 2HB MET 1 -6.186 8.916 -0.155 6 2HB MET 1 1HB MET 1 -7.003 9.065 1.393 7 1HG MET 1 2HG MET 1 -7.225 11.467 1.059 8 2HG MET 1 1HG MET 1 -6.377 11.335 -0.482 9 1HE MET 1 1HE MET 1 -8.401 12.616 -1.672 10 2HE MET 1 2HE MET 1 -9.229 12.729 -0.119 11 3HE MET 1 3HE MET 1 -10.085 12.110 -1.531 12 HA PRO 2 HA PRO 2 -2.993 6.779 3.486 13 1HB PRO 2 2HB PRO 2 -4.085 7.410 6.121 14 2HB PRO 2 1HB PRO 2 -2.397 7.363 5.603 15 1HG PRO 2 2HG PRO 2 -3.665 9.671 6.229 16 2HG PRO 2 1HG PRO 2 -2.386 9.586 5.005 17 1HD PRO 2 2HD PRO 2 -5.361 9.664 4.633 18 2HD PRO 2 1HD PRO 2 -4.091 10.520 3.728 19 H LYS 3 H LYS 3 -4.261 5.190 2.590 20 HA LYS 3 HA LYS 3 -6.516 4.217 4.176 21 1HB LYS 3 2HB LYS 3 -6.664 5.324 1.427 22 2HB LYS 3 1HB LYS 3 -7.548 3.837 1.721 23 1HG LYS 3 2HG LYS 3 -8.724 4.952 3.584 24 2HG LYS 3 1HG LYS 3 -7.900 6.455 3.155 25 1HD LYS 3 2HD LYS 3 -10.190 6.275 2.203 26 2HD LYS 3 1HD LYS 3 -8.932 6.456 0.978 27 1HE LYS 3 2HE LYS 3 -10.469 4.778 0.229 28 2HE LYS 3 1HE LYS 3 -8.960 3.987 0.675 29 1HZ LYS 3 1HZ LYS 3 -10.804 2.725 1.503 30 2HZ LYS 3 2HZ LYS 3 -11.456 4.082 2.280 31 3HZ LYS 3 3HZ LYS 3 -9.995 3.416 2.828 32 H ILE 4 H ILE 4 -7.281 2.071 3.299 33 HA ILE 4 HA ILE 4 -5.187 0.638 1.859 34 HB ILE 4 HB ILE 4 -6.198 -1.416 2.714 35 1HG1 ILE 4 2HG1 ILE 4 -8.466 -0.265 3.146 36 2HG1 ILE 4 1HG1 ILE 4 -7.935 -1.530 4.225 37 1HG2 ILE 4 1HG2 ILE 4 -5.407 -1.234 5.042 38 2HG2 ILE 4 2HG2 ILE 4 -5.316 0.515 4.837 39 3HG2 ILE 4 3HG2 ILE 4 -4.287 -0.541 3.869 40 1HD1 ILE 4 1HD1 ILE 4 -7.198 0.151 5.848 41 2HD1 ILE 4 2HD1 ILE 4 -8.918 0.268 5.486 42 3HD1 ILE 4 3HD1 ILE 4 -7.791 1.416 4.777 43 H ILE 5 H ILE 5 -5.814 -0.546 0.058 44 HA ILE 5 HA ILE 5 -8.361 0.347 -1.103 45 HB ILE 5 HB ILE 5 -6.399 -1.194 -2.705 46 1HG1 ILE 5 2HG1 ILE 5 -5.953 1.723 -2.028 47 2HG1 ILE 5 1HG1 ILE 5 -5.007 0.403 -1.357 48 1HG2 ILE 5 1HG2 ILE 5 -8.078 1.229 -3.274 49 2HG2 ILE 5 2HG2 ILE 5 -8.438 -0.439 -3.726 50 3HG2 ILE 5 3HG2 ILE 5 -7.058 0.392 -4.444 51 1HD1 ILE 5 1HD1 ILE 5 -5.174 1.171 -4.258 52 2HD1 ILE 5 2HD1 ILE 5 -4.226 -0.165 -3.605 53 3HD1 ILE 5 3HD1 ILE 5 -3.831 1.496 -3.164 54 H GLU 6 H GLU 6 -9.869 -1.124 -1.834 55 HA GLU 6 HA GLU 6 -9.365 -3.935 -1.196 56 1HB GLU 6 2HB GLU 6 -11.917 -2.417 -1.701 57 2HB GLU 6 1HB GLU 6 -11.854 -4.170 -1.703 58 1HG GLU 6 2HG GLU 6 -10.803 -3.942 0.626 59 2HG GLU 6 1HG GLU 6 -11.411 -2.285 0.576 60 H ALA 7 H ALA 7 -9.171 -5.433 -2.755 61 HA ALA 7 HA ALA 7 -9.770 -4.651 -5.533 62 1HB ALA 7 1HB ALA 7 -7.169 -5.874 -4.575 63 2HB ALA 7 2HB ALA 7 -7.392 -4.219 -5.144 64 3HB ALA 7 3HB ALA 7 -7.614 -5.572 -6.255 65 H VAL 8 H VAL 8 -10.102 -6.459 -6.928 66 HA VAL 8 HA VAL 8 -10.441 -9.037 -5.589 67 HB VAL 8 HB VAL 8 -11.972 -9.531 -7.559 68 1HG1 VAL 8 1HG1 VAL 8 -12.812 -7.415 -5.588 69 2HG1 VAL 8 2HG1 VAL 8 -12.799 -9.154 -5.299 70 3HG1 VAL 8 3HG1 VAL 8 -13.901 -8.468 -6.491 71 1HG2 VAL 8 1HG2 VAL 8 -11.351 -7.721 -9.033 72 2HG2 VAL 8 2HG2 VAL 8 -11.860 -6.534 -7.831 73 3HG2 VAL 8 3HG2 VAL 8 -13.055 -7.574 -8.603 74 H TYR 9 H TYR 9 -8.910 -10.403 -6.072 75 HA TYR 9 HA TYR 9 -7.191 -10.189 -8.385 76 1HB TYR 9 2HB TYR 9 -6.409 -11.072 -6.221 77 2HB TYR 9 1HB TYR 9 -7.598 -12.362 -6.284 78 HD1 TYR 9 HD1 TYR 9 -7.185 -14.356 -7.564 79 HD2 TYR 9 HD2 TYR 9 -4.437 -11.112 -7.687 80 HE1 TYR 9 HE1 TYR 9 -5.505 -15.830 -8.596 81 HE2 TYR 9 HE2 TYR 9 -2.761 -12.566 -8.727 82 HH TYR 9 HH TYR 9 -3.491 -15.702 -9.934 83 H GLU 10 H GLU 10 -7.636 -10.788 -10.279 84 HA GLU 10 HA GLU 10 -9.297 -13.128 -10.813 85 1HB GLU 10 2HB GLU 10 -10.825 -11.173 -10.783 86 2HB GLU 10 1HB GLU 10 -9.844 -10.403 -12.014 87 1HG GLU 10 2HG GLU 10 -10.384 -12.196 -13.570 88 2HG GLU 10 1HG GLU 10 -11.366 -12.980 -12.336 89 H ASN 11 H ASN 11 -8.404 -14.289 -12.362 90 HA ASN 11 HA ASN 11 -7.350 -14.883 -14.293 91 1HB ASN 11 2HB ASN 11 -8.532 -12.700 -15.102 92 2HB ASN 11 1HB ASN 11 -6.922 -12.003 -15.029 93 1HD2 ASN 11 1HD2 ASN 11 -6.833 -11.676 -17.226 94 2HD2 ASN 11 2HD2 ASN 11 -6.636 -12.972 -18.353 95 H GLY 12 H GLY 12 -5.985 -14.128 -11.744 96 1HA GLY 12 2HA GLY 12 -3.760 -14.319 -11.078 97 2HA GLY 12 1HA GLY 12 -3.280 -14.211 -12.766 98 H VAL 13 H VAL 13 -5.464 -11.836 -11.684 99 HA VAL 13 HA VAL 13 -3.271 -9.834 -11.509 100 HB VAL 13 HB VAL 13 -6.093 -9.319 -12.400 101 1HG1 VAL 13 1HG1 VAL 13 -4.886 -7.371 -11.668 102 2HG1 VAL 13 2HG1 VAL 13 -5.109 -7.297 -13.416 103 3HG1 VAL 13 3HG1 VAL 13 -3.541 -7.750 -12.746 104 1HG2 VAL 13 1HG2 VAL 13 -3.728 -9.917 -14.190 105 2HG2 VAL 13 2HG2 VAL 13 -5.296 -9.330 -14.745 106 3HG2 VAL 13 3HG2 VAL 13 -5.167 -10.918 -13.986 107 H PHE 14 H PHE 14 -3.518 -8.259 -9.862 108 HA PHE 14 HA PHE 14 -5.899 -8.550 -8.186 109 1HB PHE 14 2HB PHE 14 -3.349 -6.972 -7.794 110 2HB PHE 14 1HB PHE 14 -4.728 -6.869 -6.715 111 HD1 PHE 14 HD1 PHE 14 -1.745 -8.644 -7.512 112 HD2 PHE 14 HD2 PHE 14 -5.510 -8.994 -5.576 113 HE1 PHE 14 HE1 PHE 14 -0.915 -10.593 -6.255 114 HE2 PHE 14 HE2 PHE 14 -4.693 -10.938 -4.314 115 HZ PHE 14 HZ PHE 14 -2.390 -11.744 -4.651 116 H LYS 15 H LYS 15 -7.578 -7.372 -8.688 117 HA LYS 15 HA LYS 15 -7.205 -4.886 -10.229 118 1HB LYS 15 2HB LYS 15 -9.379 -6.984 -10.252 119 2HB LYS 15 1HB LYS 15 -9.541 -5.426 -11.038 120 1HG LYS 15 2HG LYS 15 -7.140 -6.975 -11.733 121 2HG LYS 15 1HG LYS 15 -8.681 -7.647 -12.269 122 1HD LYS 15 2HD LYS 15 -7.731 -4.831 -12.810 123 2HD LYS 15 1HD LYS 15 -7.653 -6.171 -13.959 124 1HE LYS 15 2HE LYS 15 -10.059 -6.392 -13.917 125 2HE LYS 15 1HE LYS 15 -10.177 -5.129 -12.691 126 1HZ LYS 15 1HZ LYS 15 -10.678 -4.199 -14.823 127 2HZ LYS 15 2HZ LYS 15 -9.241 -4.801 -15.490 128 3HZ LYS 15 3HZ LYS 15 -9.180 -3.581 -14.314 129 HA PRO 16 HA PRO 16 -8.879 -3.367 -6.315 130 1HB PRO 16 2HB PRO 16 -8.994 -0.731 -7.148 131 2HB PRO 16 1HB PRO 16 -7.623 -1.493 -6.344 132 1HG PRO 16 2HG PRO 16 -8.033 -0.901 -9.225 133 2HG PRO 16 1HG PRO 16 -6.539 -0.919 -8.278 134 1HD PRO 16 2HD PRO 16 -7.233 -2.904 -9.990 135 2HD PRO 16 1HD PRO 16 -6.253 -3.180 -8.538 136 H LEU 17 H LEU 17 -10.725 -2.157 -5.655 137 HA LEU 17 HA LEU 17 -12.972 -2.365 -7.537 138 1HB LEU 17 2HB LEU 17 -12.947 -2.050 -4.527 139 2HB LEU 17 1HB LEU 17 -14.387 -2.203 -5.514 140 HG LEU 17 HG LEU 17 -12.263 -4.326 -5.211 141 1HD1 LEU 17 1HD1 LEU 17 -15.028 -4.118 -4.029 142 2HD1 LEU 17 2HD1 LEU 17 -13.506 -3.998 -3.147 143 3HD1 LEU 17 3HD1 LEU 17 -13.965 -5.521 -3.911 144 1HD2 LEU 17 1HD2 LEU 17 -13.414 -4.389 -7.380 145 2HD2 LEU 17 2HD2 LEU 17 -14.968 -4.423 -6.548 146 3HD2 LEU 17 3HD2 LEU 17 -13.846 -5.771 -6.373 147 H GLN 18 H GLN 18 -10.791 -0.279 -6.239 148 HA GLN 18 HA GLN 18 -12.399 1.988 -7.141 149 1HB GLN 18 2HB GLN 18 -11.786 3.401 -5.286 150 2HB GLN 18 1HB GLN 18 -12.615 1.983 -4.688 151 1HG GLN 18 2HG GLN 18 -9.676 1.829 -4.722 152 2HG GLN 18 1HG GLN 18 -10.372 3.008 -3.617 153 1HE2 GLN 18 1HE2 GLN 18 -11.697 -0.121 -4.537 154 2HE2 GLN 18 2HE2 GLN 18 -11.662 -0.807 -2.958 155 H LYS 19 H LYS 19 -11.259 3.583 -8.156 156 HA LYS 19 HA LYS 19 -8.739 2.741 -9.216 157 1HB LYS 19 2HB LYS 19 -10.737 4.054 -10.308 158 2HB LYS 19 1HB LYS 19 -9.864 5.457 -9.730 159 1HG LYS 19 2HG LYS 19 -8.693 3.337 -11.521 160 2HG LYS 19 1HG LYS 19 -9.403 4.845 -12.082 161 1HD LYS 19 2HD LYS 19 -7.725 6.124 -10.897 162 2HD LYS 19 1HD LYS 19 -7.058 4.649 -10.197 163 1HE LYS 19 2HE LYS 19 -6.549 3.861 -12.499 164 2HE LYS 19 1HE LYS 19 -7.079 5.429 -13.109 165 1HZ LYS 19 1HZ LYS 19 -4.873 5.035 -11.161 166 2HZ LYS 19 2HZ LYS 19 -5.324 6.499 -11.899 167 3HZ LYS 19 3HZ LYS 19 -4.658 5.246 -12.829 168 H VAL 20 H VAL 20 -6.815 3.420 -8.748 169 HA VAL 20 HA VAL 20 -6.456 5.558 -6.750 170 HB VAL 20 HB VAL 20 -4.585 3.246 -6.950 171 1HG1 VAL 20 1HG1 VAL 20 -3.814 5.151 -5.713 172 2HG1 VAL 20 2HG1 VAL 20 -4.117 3.812 -4.608 173 3HG1 VAL 20 3HG1 VAL 20 -5.272 5.142 -4.721 174 1HG2 VAL 20 1HG2 VAL 20 -7.065 3.307 -5.237 175 2HG2 VAL 20 2HG2 VAL 20 -5.769 2.116 -5.117 176 3HG2 VAL 20 3HG2 VAL 20 -6.746 2.212 -6.582 177 H ASP 21 H ASP 21 -4.913 6.950 -7.027 178 HA ASP 21 HA ASP 21 -3.439 6.749 -9.540 179 1HB ASP 21 2HB ASP 21 -4.765 8.783 -9.148 180 2HB ASP 21 1HB ASP 21 -3.796 9.117 -7.726 181 H LEU 22 H LEU 22 -2.133 5.275 -8.770 182 HA LEU 22 HA LEU 22 -0.034 6.160 -6.926 183 1HB LEU 22 2HB LEU 22 -0.853 3.430 -7.893 184 2HB LEU 22 1HB LEU 22 0.614 3.724 -6.996 185 HG LEU 22 HG LEU 22 -2.187 4.218 -5.994 186 1HD1 LEU 22 1HD1 LEU 22 -1.721 2.367 -4.471 187 2HD1 LEU 22 2HD1 LEU 22 -0.152 2.126 -5.241 188 3HD1 LEU 22 3HD1 LEU 22 -1.635 1.851 -6.155 189 1HD2 LEU 22 1HD2 LEU 22 -1.095 4.642 -3.834 190 2HD2 LEU 22 2HD2 LEU 22 -0.642 5.831 -5.056 191 3HD2 LEU 22 3HD2 LEU 22 0.480 4.539 -4.624 192 H LYS 23 H LYS 23 2.105 4.811 -7.630 193 HA LYS 23 HA LYS 23 2.757 5.810 -10.282 194 1HB LYS 23 2HB LYS 23 4.385 4.849 -7.952 195 2HB LYS 23 1HB LYS 23 5.101 5.034 -9.544 196 1HG LYS 23 2HG LYS 23 4.577 7.383 -9.549 197 2HG LYS 23 1HG LYS 23 3.728 7.220 -8.009 198 1HD LYS 23 2HD LYS 23 6.046 8.126 -7.837 199 2HD LYS 23 1HD LYS 23 5.747 6.688 -6.862 200 1HE LYS 23 2HE LYS 23 6.783 5.323 -8.645 201 2HE LYS 23 1HE LYS 23 7.148 6.804 -9.532 202 1HZ LYS 23 1HZ LYS 23 8.177 6.076 -6.838 203 2HZ LYS 23 2HZ LYS 23 8.492 7.534 -7.646 204 3HZ LYS 23 3HZ LYS 23 9.063 6.077 -8.289 205 H GLU 24 H GLU 24 4.182 4.432 -11.641 206 HA GLU 24 HA GLU 24 2.991 1.828 -11.931 207 1HB GLU 24 2HB GLU 24 5.170 3.252 -13.468 208 2HB GLU 24 1HB GLU 24 4.520 1.691 -13.901 209 1HG GLU 24 2HG GLU 24 2.394 2.597 -14.401 210 2HG GLU 24 1HG GLU 24 2.817 4.141 -13.669 211 H GLY 25 H GLY 25 3.808 -0.030 -11.478 212 1HA GLY 25 2HA GLY 25 4.764 -1.421 -9.943 213 2HA GLY 25 1HA GLY 25 6.287 -0.766 -10.525 214 H GLU 26 H GLU 26 3.569 0.390 -8.600 215 HA GLU 26 HA GLU 26 5.353 1.558 -6.649 216 1HB GLU 26 2HB GLU 26 2.642 1.916 -7.444 217 2HB GLU 26 1HB GLU 26 2.660 1.514 -5.730 218 1HG GLU 26 2HG GLU 26 4.000 3.806 -7.121 219 2HG GLU 26 1HG GLU 26 2.764 3.842 -5.871 220 H ARG 27 H ARG 27 5.349 1.002 -4.410 221 HA ARG 27 HA ARG 27 5.311 -1.895 -4.121 222 1HB ARG 27 2HB ARG 27 6.725 0.305 -2.847 223 2HB ARG 27 1HB ARG 27 6.339 -1.029 -1.792 224 1HG ARG 27 2HG ARG 27 8.561 -1.285 -2.708 225 2HG ARG 27 1HG ARG 27 7.494 -2.556 -3.299 226 1HD ARG 27 2HD ARG 27 7.238 -1.380 -5.415 227 2HD ARG 27 1HD ARG 27 8.254 -0.066 -4.820 228 HE ARG 27 HE ARG 27 9.853 -2.214 -4.516 229 1HH1 ARG 27 1HH1 ARG 27 8.005 -1.021 -7.257 230 2HH1 ARG 27 2HH1 ARG 27 9.087 -1.696 -8.440 231 1HH2 ARG 27 1HH2 ARG 27 11.268 -3.106 -6.070 232 2HH2 ARG 27 2HH2 ARG 27 10.941 -2.895 -7.759 233 H VAL 28 H VAL 28 3.520 -2.628 -3.615 234 HA VAL 28 HA VAL 28 2.178 -1.755 -1.157 235 HB VAL 28 HB VAL 28 0.028 -2.472 -2.100 236 1HG1 VAL 28 1HG1 VAL 28 1.463 -0.430 -3.778 237 2HG1 VAL 28 2HG1 VAL 28 0.580 -0.144 -2.277 238 3HG1 VAL 28 3HG1 VAL 28 -0.286 -0.654 -3.725 239 1HG2 VAL 28 1HG2 VAL 28 -0.213 -2.938 -4.489 240 2HG2 VAL 28 2HG2 VAL 28 0.826 -4.123 -3.697 241 3HG2 VAL 28 3HG2 VAL 28 1.539 -2.845 -4.681 242 H LYS 29 H LYS 29 1.212 -3.490 0.070 243 HA LYS 29 HA LYS 29 2.238 -6.139 -0.693 244 1HB LYS 29 2HB LYS 29 1.767 -4.878 1.978 245 2HB LYS 29 1HB LYS 29 1.730 -6.619 1.803 246 1HG LYS 29 2HG LYS 29 4.015 -6.559 0.901 247 2HG LYS 29 1HG LYS 29 4.044 -4.810 1.155 248 1HD LYS 29 2HD LYS 29 3.585 -5.231 3.567 249 2HD LYS 29 1HD LYS 29 3.762 -6.954 3.256 250 1HE LYS 29 2HE LYS 29 5.919 -4.984 2.563 251 2HE LYS 29 1HE LYS 29 5.798 -5.710 4.165 252 1HZ LYS 29 1HZ LYS 29 5.876 -7.391 1.730 253 2HZ LYS 29 2HZ LYS 29 6.253 -7.818 3.327 254 3HZ LYS 29 3HZ LYS 29 7.301 -6.823 2.448 255 H ILE 30 H ILE 30 0.863 -7.845 -0.602 256 HA ILE 30 HA ILE 30 -1.986 -7.098 -0.631 257 HB ILE 30 HB ILE 30 -0.923 -9.690 -1.675 258 1HG1 ILE 30 2HG1 ILE 30 0.304 -7.953 -2.890 259 2HG1 ILE 30 1HG1 ILE 30 -0.877 -8.724 -3.941 260 1HG2 ILE 30 1HG2 ILE 30 -3.287 -9.562 -1.298 261 2HG2 ILE 30 2HG2 ILE 30 -2.972 -9.598 -3.033 262 3HG2 ILE 30 3HG2 ILE 30 -3.390 -8.077 -2.243 263 1HD1 ILE 30 1HD1 ILE 30 -0.812 -6.320 -4.286 264 2HD1 ILE 30 2HD1 ILE 30 -1.203 -6.054 -2.586 265 3HD1 ILE 30 3HD1 ILE 30 -2.378 -6.824 -3.654 266 H LYS 31 H LYS 31 -3.258 -7.904 0.715 267 HA LYS 31 HA LYS 31 -2.673 -10.312 2.183 268 1HB LYS 31 2HB LYS 31 -3.423 -9.250 4.252 269 2HB LYS 31 1HB LYS 31 -1.940 -8.535 3.656 270 1HG LYS 31 2HG LYS 31 -3.492 -6.792 2.577 271 2HG LYS 31 1HG LYS 31 -4.698 -7.418 3.703 272 1HD LYS 31 2HD LYS 31 -3.718 -5.632 4.839 273 2HD LYS 31 1HD LYS 31 -2.922 -7.052 5.514 274 1HE LYS 31 2HE LYS 31 -1.072 -6.692 3.867 275 2HE LYS 31 1HE LYS 31 -1.841 -5.173 3.417 276 1HZ LYS 31 1HZ LYS 31 -1.623 -4.479 5.767 277 2HZ LYS 31 2HZ LYS 31 -0.136 -4.726 4.997 278 3HZ LYS 31 3HZ LYS 31 -0.729 -5.890 6.074 279 H LEU 32 H LEU 32 -4.828 -10.989 3.276 280 HA LEU 32 HA LEU 32 -6.760 -10.580 1.110 281 1HB LEU 32 2HB LEU 32 -6.034 -13.054 2.657 282 2HB LEU 32 1HB LEU 32 -7.461 -12.950 1.658 283 HG LEU 32 HG LEU 32 -5.859 -12.377 -0.263 284 1HD1 LEU 32 1HD1 LEU 32 -3.885 -13.582 1.670 285 2HD1 LEU 32 2HD1 LEU 32 -3.875 -11.920 1.079 286 3HD1 LEU 32 3HD1 LEU 32 -3.596 -13.254 -0.040 287 1HD2 LEU 32 1HD2 LEU 32 -7.059 -14.484 -0.084 288 2HD2 LEU 32 2HD2 LEU 32 -5.799 -15.118 0.974 289 3HD2 LEU 32 3HD2 LEU 32 -5.426 -14.730 -0.705 290 H GLU 33 H GLU 33 -8.944 -10.467 1.604 291 HA GLU 33 HA GLU 33 -9.743 -9.815 4.229 292 1HB GLU 33 2HB GLU 33 -11.362 -10.827 1.905 293 2HB GLU 33 1HB GLU 33 -12.029 -10.139 3.360 294 1HG GLU 33 2HG GLU 33 -10.266 -8.685 1.407 295 2HG GLU 33 1HG GLU 33 -12.022 -8.527 1.526 296 H LEU 34 H LEU 34 -10.216 -11.117 5.833 297 HA LEU 34 HA LEU 34 -9.534 -13.897 5.427 298 1HB LEU 34 2HB LEU 34 -10.117 -12.405 7.985 299 2HB LEU 34 1HB LEU 34 -9.556 -14.061 7.887 300 HG LEU 34 HG LEU 34 -7.518 -13.027 6.629 301 1HD1 LEU 34 1HD1 LEU 34 -6.944 -10.781 7.358 302 2HD1 LEU 34 2HD1 LEU 34 -8.496 -10.639 8.184 303 3HD1 LEU 34 3HD1 LEU 34 -8.443 -10.772 6.426 304 1HD2 LEU 34 1HD2 LEU 34 -6.378 -12.690 8.786 305 2HD2 LEU 34 2HD2 LEU 34 -7.354 -14.159 8.754 306 3HD2 LEU 34 3HD2 LEU 34 -7.945 -12.727 9.595 307 H LYS 35 H LYS 35 -10.799 -15.634 6.058 308 HA LYS 35 HA LYS 35 -13.646 -15.107 6.322 309 1HB LYS 35 2HB LYS 35 -11.996 -17.558 5.796 310 2HB LYS 35 1HB LYS 35 -13.631 -17.713 6.380 311 1HG LYS 35 2HG LYS 35 -13.708 -17.949 4.028 312 2HG LYS 35 1HG LYS 35 -14.392 -16.374 4.412 313 1HD LYS 35 2HD LYS 35 -12.293 -15.297 3.780 314 2HD LYS 35 1HD LYS 35 -11.576 -16.874 3.434 315 1HE LYS 35 2HE LYS 35 -13.306 -17.249 1.714 316 2HE LYS 35 1HE LYS 35 -13.950 -15.641 2.033 317 1HZ LYS 35 1HZ LYS 35 -11.843 -14.688 1.319 318 2HZ LYS 35 2HZ LYS 35 -12.508 -15.653 0.097 319 3HZ LYS 35 3HZ LYS 35 -11.220 -16.235 1.024 320 H VAL 36 H VAL 36 -14.753 -16.258 8.117 321 HA VAL 36 HA VAL 36 -13.283 -15.520 10.512 322 HB VAL 36 HB VAL 36 -16.134 -16.470 10.353 323 1HG1 VAL 36 1HG1 VAL 36 -15.207 -16.532 12.577 324 2HG1 VAL 36 2HG1 VAL 36 -16.398 -15.238 12.456 325 3HG1 VAL 36 3HG1 VAL 36 -14.675 -14.858 12.431 326 1HG2 VAL 36 1HG2 VAL 36 -15.885 -14.558 8.887 327 2HG2 VAL 36 2HG2 VAL 36 -15.083 -13.652 10.169 328 3HG2 VAL 36 3HG2 VAL 36 -16.782 -14.094 10.334 329 H GLU 37 H GLU 37 -12.625 -16.870 12.058 330 HA GLU 37 HA GLU 37 -13.240 -19.722 11.736 331 1HB GLU 37 2HB GLU 37 -10.858 -19.228 11.281 332 2HB GLU 37 1HB GLU 37 -10.711 -18.523 12.887 333 1HG GLU 37 2HG GLU 37 -11.376 -20.739 13.831 334 2HG GLU 37 1HG GLU 37 -11.278 -21.395 12.199 335 HA PRO 38 HA PRO 38 -14.734 -18.754 15.924 336 1HB PRO 38 2HB PRO 38 -17.271 -19.769 15.397 337 2HB PRO 38 1HB PRO 38 -16.819 -18.066 15.325 338 1HG PRO 38 2HG PRO 38 -17.599 -19.737 13.164 339 2HG PRO 38 1HG PRO 38 -17.019 -18.067 13.079 340 1HD PRO 38 2HD PRO 38 -15.557 -20.604 12.611 341 2HD PRO 38 1HD PRO 38 -15.263 -18.986 11.940 342 H ILE 39 H ILE 39 -16.632 -20.646 16.879 343 HA ILE 39 HA ILE 39 -15.047 -23.103 16.767 344 HB ILE 39 HB ILE 39 -17.460 -22.647 18.500 345 1HG1 ILE 39 2HG1 ILE 39 -14.571 -22.062 19.186 346 2HG1 ILE 39 1HG1 ILE 39 -15.796 -20.834 18.886 347 1HG2 ILE 39 1HG2 ILE 39 -16.711 -24.946 18.269 348 2HG2 ILE 39 2HG2 ILE 39 -16.408 -24.359 19.904 349 3HG2 ILE 39 3HG2 ILE 39 -15.080 -24.479 18.749 350 1HD1 ILE 39 1HD1 ILE 39 -17.045 -21.622 20.833 351 2HD1 ILE 39 2HD1 ILE 39 -15.408 -21.123 21.258 352 3HD1 ILE 39 3HD1 ILE 39 -15.804 -22.838 21.131 353 H ASP 40 H ASP 40 -15.864 -24.985 15.996 354 HA ASP 40 HA ASP 40 -18.345 -24.739 14.427 355 1HB ASP 40 2HB ASP 40 -16.296 -24.962 13.054 356 2HB ASP 40 1HB ASP 40 -15.935 -26.486 13.858 357 H LEU 41 H LEU 41 -19.953 -25.917 15.183 358 HA LEU 41 HA LEU 41 -19.403 -27.930 17.185 359 1HB LEU 41 2HB LEU 41 -21.774 -27.908 17.659 360 2HB LEU 41 1HB LEU 41 -21.160 -26.270 17.612 361 HG LEU 41 HG LEU 41 -22.596 -27.500 15.260 362 1HD1 LEU 41 1HD1 LEU 41 -23.760 -25.930 17.562 363 2HD1 LEU 41 2HD1 LEU 41 -24.084 -27.622 17.182 364 3HD1 LEU 41 3HD1 LEU 41 -24.612 -26.354 16.077 365 1HD2 LEU 41 1HD2 LEU 41 -22.998 -25.177 14.654 366 2HD2 LEU 41 2HD2 LEU 41 -21.269 -25.481 14.824 367 3HD2 LEU 41 3HD2 LEU 41 -22.145 -24.638 16.101 368 H GLY 42 H GLY 42 -19.424 -30.045 16.862 369 1HA GLY 42 2HA GLY 42 -20.984 -31.782 15.755 370 2HA GLY 42 1HA GLY 42 -20.393 -31.050 14.276 371 H GLU 43 H GLU 43 -19.948 -33.482 16.431 372 HA GLU 43 HA GLU 43 -17.153 -33.865 15.645 373 1HB GLU 43 2HB GLU 43 -17.033 -35.371 17.641 374 2HB GLU 43 1HB GLU 43 -17.258 -33.678 18.020 375 1HG GLU 43 2HG GLU 43 -19.489 -35.696 17.948 376 2HG GLU 43 1HG GLU 43 -18.583 -35.289 19.401 377 HA PRO 44 HA PRO 44 -18.763 -37.158 13.131 378 1HB PRO 44 2HB PRO 44 -16.331 -38.284 12.535 379 2HB PRO 44 1HB PRO 44 -16.991 -36.860 11.724 380 1HG PRO 44 2HG PRO 44 -14.982 -37.020 13.932 381 2HG PRO 44 1HG PRO 44 -14.996 -35.969 12.504 382 1HD PRO 44 2HD PRO 44 -15.740 -35.080 14.935 383 2HD PRO 44 1HD PRO 44 -16.503 -34.494 13.443 384 H VAL 45 H VAL 45 -19.666 -38.951 13.877 385 HA VAL 45 HA VAL 45 -18.485 -40.345 16.134 386 HB VAL 45 HB VAL 45 -20.821 -40.007 16.287 387 1HG1 VAL 45 1HG1 VAL 45 -22.431 -40.904 14.662 388 2HG1 VAL 45 2HG1 VAL 45 -21.086 -41.415 13.642 389 3HG1 VAL 45 3HG1 VAL 45 -21.361 -39.699 13.945 390 1HG2 VAL 45 1HG2 VAL 45 -21.708 -42.275 16.541 391 2HG2 VAL 45 2HG2 VAL 45 -20.076 -42.124 17.193 392 3HG2 VAL 45 3HG2 VAL 45 -20.335 -42.900 15.630 393 H SER 46 H SER 46 -17.996 -42.510 16.162 394 HA SER 46 HA SER 46 -17.008 -43.513 13.590 395 1HB SER 46 2HB SER 46 -16.252 -44.238 16.421 396 2HB SER 46 1HB SER 46 -15.522 -44.907 14.973 397 HG SER 46 HG SER 46 -15.021 -42.646 14.424 398 H VAL 47 H VAL 47 -16.842 -46.011 13.585 399 HA VAL 47 HA VAL 47 -19.410 -47.139 14.505 400 HB VAL 47 HB VAL 47 -17.901 -47.936 12.007 401 1HG1 VAL 47 1HG1 VAL 47 -20.658 -48.656 12.999 402 2HG1 VAL 47 2HG1 VAL 47 -19.261 -49.729 12.905 403 3HG1 VAL 47 3HG1 VAL 47 -19.997 -49.106 11.428 404 1HG2 VAL 47 1HG2 VAL 47 -18.743 -45.665 11.752 405 2HG2 VAL 47 2HG2 VAL 47 -20.353 -46.194 12.246 406 3HG2 VAL 47 3HG2 VAL 47 -19.651 -46.789 10.741 407 H GLU 48 H GLU 48 -19.352 -49.319 15.249 408 HA GLU 48 HA GLU 48 -16.772 -50.075 16.336 409 1HB GLU 48 2HB GLU 48 -19.364 -51.554 16.659 410 2HB GLU 48 1HB GLU 48 -17.949 -51.638 17.687 411 1HG GLU 48 2HG GLU 48 -18.339 -49.321 18.390 412 2HG GLU 48 1HG GLU 48 -19.798 -49.283 17.399 413 H GLU 49 H GLU 49 -15.454 -51.328 15.222 414 HA GLU 49 HA GLU 49 -16.423 -53.318 13.345 415 1HB GLU 49 2HB GLU 49 -14.383 -52.151 12.762 416 2HB GLU 49 1HB GLU 49 -13.642 -52.612 14.289 417 1HG GLU 49 2HG GLU 49 -13.710 -54.959 13.607 418 2HG GLU 49 1HG GLU 49 -14.433 -54.487 12.071 419 H ILE 50 H ILE 50 -15.271 -53.054 16.570 420 HA ILE 50 HA ILE 50 -14.871 -55.892 16.946 421 HB ILE 50 HB ILE 50 -14.424 -55.253 19.316 422 1HG1 ILE 50 2HG1 ILE 50 -14.735 -52.441 18.247 423 2HG1 ILE 50 1HG1 ILE 50 -15.840 -53.235 19.365 424 1HG2 ILE 50 1HG2 ILE 50 -12.836 -53.774 17.225 425 2HG2 ILE 50 2HG2 ILE 50 -12.627 -55.465 17.681 426 3HG2 ILE 50 3HG2 ILE 50 -12.276 -54.186 18.845 427 1HD1 ILE 50 1HD1 ILE 50 -14.071 -53.354 21.036 428 2HD1 ILE 50 2HD1 ILE 50 -14.363 -51.692 20.520 429 3HD1 ILE 50 3HD1 ILE 50 -12.956 -52.569 19.917 430 H LYS 51 H LYS 51 -17.571 -54.388 16.488 431 HA LYS 51 HA LYS 51 -19.133 -55.008 18.795 432 1HB LYS 51 2HB LYS 51 -19.687 -53.323 16.957 433 2HB LYS 51 1HB LYS 51 -20.174 -54.698 15.979 434 1HG LYS 51 2HG LYS 51 -21.896 -55.269 17.561 435 2HG LYS 51 1HG LYS 51 -21.349 -53.999 18.662 436 1HD LYS 51 2HD LYS 51 -21.794 -52.376 16.757 437 2HD LYS 51 1HD LYS 51 -22.647 -53.703 15.966 438 1HE LYS 51 2HE LYS 51 -24.188 -52.261 17.208 439 2HE LYS 51 1HE LYS 51 -24.151 -53.897 17.867 440 1HZ LYS 51 1HZ LYS 51 -22.945 -53.203 19.721 441 2HZ LYS 51 2HZ LYS 51 -24.074 -51.959 19.496 442 3HZ LYS 51 3HZ LYS 51 -22.464 -51.743 19.001 443 H LYS 52 H LYS 52 -20.226 -56.854 19.282 444 HA LYS 52 HA LYS 52 -19.970 -59.099 17.443 445 1HB LYS 52 2HB LYS 52 -19.138 -60.359 19.535 446 2HB LYS 52 1HB LYS 52 -18.001 -59.376 18.632 447 1HG LYS 52 2HG LYS 52 -18.685 -57.527 20.325 448 2HG LYS 52 1HG LYS 52 -19.254 -58.884 21.297 449 1HD LYS 52 2HD LYS 52 -17.069 -59.837 21.376 450 2HD LYS 52 1HD LYS 52 -16.464 -58.695 20.177 451 1HE LYS 52 2HE LYS 52 -17.291 -58.137 23.015 452 2HE LYS 52 1HE LYS 52 -15.700 -57.923 22.281 453 1HZ LYS 52 1HZ LYS 52 -16.583 -55.782 22.338 454 2HZ LYS 52 2HZ LYS 52 -18.137 -56.299 21.912 455 3HZ LYS 52 3HZ LYS 52 -16.903 -56.282 20.746 456 H ILE 53 H ILE 53 -21.947 -59.909 17.257 457 HA ILE 53 HA ILE 53 -23.534 -60.355 19.668 458 HB ILE 53 HB ILE 53 -25.244 -61.048 17.831 459 1HG1 ILE 53 2HG1 ILE 53 -23.437 -59.213 16.261 460 2HG1 ILE 53 1HG1 ILE 53 -23.673 -60.932 15.952 461 1HG2 ILE 53 1HG2 ILE 53 -25.576 -59.198 19.350 462 2HG2 ILE 53 2HG2 ILE 53 -26.070 -58.726 17.725 463 3HG2 ILE 53 3HG2 ILE 53 -24.523 -58.178 18.370 464 1HD1 ILE 53 1HD1 ILE 53 -26.047 -60.474 15.477 465 2HD1 ILE 53 2HD1 ILE 53 -24.946 -59.641 14.382 466 3HD1 ILE 53 3HD1 ILE 53 -25.732 -58.751 15.687 467 H ARG 54 H ARG 54 -22.731 -62.228 20.515 468 HA ARG 54 HA ARG 54 -22.545 -64.545 18.702 469 1HB ARG 54 2HB ARG 54 -20.547 -63.524 20.683 470 2HB ARG 54 1HB ARG 54 -20.615 -65.241 20.316 471 1HG ARG 54 2HG ARG 54 -20.280 -63.097 18.236 472 2HG ARG 54 1HG ARG 54 -18.938 -63.950 19.004 473 1HD ARG 54 2HD ARG 54 -21.164 -65.231 17.418 474 2HD ARG 54 1HD ARG 54 -19.527 -64.931 16.832 475 HE ARG 54 HE ARG 54 -19.380 -66.429 19.198 476 1HH1 ARG 54 1HH1 ARG 54 -20.538 -66.821 15.908 477 2HH1 ARG 54 2HH1 ARG 54 -20.141 -68.512 15.850 478 1HH2 ARG 54 1HH2 ARG 54 -18.910 -68.646 19.138 479 2HH2 ARG 54 2HH2 ARG 54 -19.206 -69.543 17.673 480 H ASP 55 H ASP 55 -23.322 -66.429 19.424 481 HA ASP 55 HA ASP 55 -24.177 -66.604 22.237 482 1HB ASP 55 2HB ASP 55 -25.442 -67.815 19.774 483 2HB ASP 55 1HB ASP 55 -25.876 -68.274 21.414 484 H GLY 56 H GLY 56 -23.991 -68.686 23.206 485 1HA GLY 56 2HA GLY 56 -22.041 -70.439 21.851 486 2HA GLY 56 1HA GLY 56 -21.843 -69.968 23.533 487 H THR 57 H THR 57 -22.454 -72.551 21.916 488 HA THR 57 HA THR 57 -24.142 -73.661 23.985 489 HB THR 57 HB THR 57 -25.822 -73.068 22.390 490 HG1 THR 57 HG1 THR 57 -26.518 -75.261 21.773 491 1HG2 THR 57 1HG2 THR 57 -25.798 -73.889 20.061 492 2HG2 THR 57 2HG2 THR 57 -24.180 -74.538 20.327 493 3HG2 THR 57 3HG2 THR 57 -24.453 -72.796 20.391 494 H TRP 58 H TRP 58 -23.749 -75.769 24.376 495 HA TRP 58 HA TRP 58 -22.169 -77.393 22.594 496 1HB TRP 58 2HB TRP 58 -20.552 -75.913 23.848 497 2HB TRP 58 1HB TRP 58 -21.058 -76.720 25.322 498 HD1 TRP 58 HD1 TRP 58 -19.109 -77.364 22.078 499 HE1 TRP 58 HE1 TRP 58 -17.655 -79.464 22.399 500 HE3 TRP 58 HE3 TRP 58 -20.864 -78.888 26.636 501 HZ2 TRP 58 HZ2 TRP 58 -17.293 -81.485 24.324 502 HZ3 TRP 58 HZ3 TRP 58 -19.907 -80.918 27.642 503 HH2 TRP 58 HH2 TRP 58 -18.159 -82.189 26.510 504 H MET 59 H MET 59 -22.580 -79.515 22.927 505 HA MET 59 HA MET 59 -23.441 -80.553 25.458 506 1HB MET 59 2HB MET 59 -25.651 -81.329 24.741 507 2HB MET 59 1HB MET 59 -25.554 -79.573 24.686 508 1HG MET 59 2HG MET 59 -25.255 -79.643 22.278 509 2HG MET 59 1HG MET 59 -25.280 -81.405 22.308 510 1HE MET 59 1HE MET 59 -27.193 -81.462 20.465 511 2HE MET 59 2HE MET 59 -27.145 -79.700 20.394 512 3HE MET 59 3HE MET 59 -28.686 -80.532 20.590 513 H SER 60 H SER 60 -23.354 -82.818 25.523 514 HA SER 60 HA SER 60 -22.568 -84.144 23.021 515 1HB SER 60 2HB SER 60 -21.426 -84.698 25.764 516 2HB SER 60 1HB SER 60 -20.950 -85.467 24.255 517 HG SER 60 HG SER 60 -20.661 -82.975 23.742 518 H SER 61 H SER 61 -23.928 -85.722 22.519 519 HA SER 61 HA SER 61 -25.658 -86.813 24.642 520 1HB SER 61 2HB SER 61 -27.157 -87.432 22.722 521 2HB SER 61 1HB SER 61 -26.889 -85.698 22.891 522 HG SER 61 HG SER 61 -25.742 -87.488 21.011 523 H LEU 62 H LEU 62 -22.887 -87.660 23.762 524 HA LEU 62 HA LEU 62 -23.154 -90.124 22.347 525 1HB LEU 62 2HB LEU 62 -20.827 -89.108 23.980 526 2HB LEU 62 1HB LEU 62 -20.780 -90.415 22.814 527 HG LEU 62 HG LEU 62 -21.374 -87.533 22.149 528 1HD1 LEU 62 1HD1 LEU 62 -19.073 -87.815 22.865 529 2HD1 LEU 62 2HD1 LEU 62 -19.150 -87.531 21.127 530 3HD1 LEU 62 3HD1 LEU 62 -18.869 -89.160 21.740 531 1HD2 LEU 62 1HD2 LEU 62 -21.097 -88.263 19.829 532 2HD2 LEU 62 2HD2 LEU 62 -22.444 -89.083 20.617 533 3HD2 LEU 62 3HD2 LEU 62 -20.916 -89.929 20.379 534 H GLU 63 H GLU 63 -24.868 -90.907 23.884 535 HA GLU 63 HA GLU 63 -24.058 -91.938 26.424 536 1HB GLU 63 2HB GLU 63 -26.393 -91.377 25.977 537 2HB GLU 63 1HB GLU 63 -26.452 -92.551 24.674 538 1HG GLU 63 2HG GLU 63 -25.767 -93.499 27.409 539 2HG GLU 63 1HG GLU 63 -27.440 -93.072 27.050 540 H HIS 64 H HIS 64 -22.820 -93.652 26.754 541 HA HIS 64 HA HIS 64 -23.044 -96.021 25.155 542 1HB HIS 64 2HB HIS 64 -20.820 -96.060 24.221 543 2HB HIS 64 1HB HIS 64 -21.629 -94.594 23.693 544 HD1 HIS 64 HD1 HIS 64 -20.862 -92.343 25.043 545 HD2 HIS 64 HD2 HIS 64 -18.392 -95.672 25.401 546 HE1 HIS 64 HE1 HIS 64 -18.643 -91.462 25.831 547 HE2 HIS 64 HE2 HIS 64 -17.129 -93.476 25.928 548 H HIS 65 H HIS 65 -22.305 -97.789 26.207 549 HA HIS 65 HA HIS 65 -20.851 -97.354 28.737 550 1HB HIS 65 2HB HIS 65 -22.677 -99.646 27.957 551 2HB HIS 65 1HB HIS 65 -21.831 -99.488 29.494 552 HD1 HIS 65 HD1 HIS 65 -24.703 -98.080 27.539 553 HD2 HIS 65 HD2 HIS 65 -23.003 -97.699 31.317 554 HE1 HIS 65 HE1 HIS 65 -26.360 -96.774 28.903 555 HE2 HIS 65 HE2 HIS 65 -25.209 -96.359 31.100 556 H HIS 66 H HIS 66 -18.878 -98.304 28.941 557 HA HIS 66 HA HIS 66 -18.030-100.116 26.814 558 1HB HIS 66 2HB HIS 66 -17.614 -97.943 25.868 559 2HB HIS 66 1HB HIS 66 -16.814 -97.398 27.335 560 HD1 HIS 66 HD1 HIS 66 -16.294 -99.588 24.317 561 HD2 HIS 66 HD2 HIS 66 -14.119 -98.050 27.520 562 HE1 HIS 66 HE1 HIS 66 -13.880-100.072 23.802 563 HE2 HIS 66 HE2 HIS 66 -12.573 -99.025 25.687 564 H HIS 67 H HIS 67 -17.159-101.776 27.841 565 HA HIS 67 HA HIS 67 -15.004-101.166 29.764 566 1HB HIS 67 2HB HIS 67 -16.607-103.737 29.732 567 2HB HIS 67 1HB HIS 67 -15.400-103.253 30.914 568 HD1 HIS 67 HD1 HIS 67 -16.169-100.858 32.210 569 HD2 HIS 67 HD2 HIS 67 -19.114-103.314 30.587 570 HE1 HIS 67 HE1 HIS 67 -18.303-100.236 33.388 571 HE2 HIS 67 HE2 HIS 67 -20.072-101.743 32.404 572 H HIS 68 H HIS 68 -16.208-103.740 27.625 573 HA HIS 68 HA HIS 68 -13.722-103.554 26.096 574 1HB HIS 68 2HB HIS 68 -13.602-105.505 27.782 575 2HB HIS 68 1HB HIS 68 -14.824-106.280 26.777 576 HD1 HIS 68 HD1 HIS 68 -11.218-105.484 26.950 577 HD2 HIS 68 HD2 HIS 68 -13.904-107.004 24.158 578 HE1 HIS 68 HE1 HIS 68 -9.808-106.482 25.121 579 HE2 HIS 68 HE2 HIS 68 -11.451-107.194 23.345 580 H HIS 69 H HIS 69 -17.091-104.318 26.378 581 HA HIS 69 HA HIS 69 -17.262-104.029 23.469 582 1HB HIS 69 2HB HIS 69 -19.238-105.531 23.407 583 2HB HIS 69 1HB HIS 69 -17.759-106.362 23.850 584 HD1 HIS 69 HD1 HIS 69 -18.269-108.125 25.464 585 HD2 HIS 69 HD2 HIS 69 -20.651-104.780 26.114 586 HE1 HIS 69 HE1 HIS 69 -19.704-108.693 27.449 587 HE2 HIS 69 HE2 HIS 69 -21.055-106.617 27.897 588 1H MET 1 1H MET 1 0.359 -19.591 10.485 589 2H MET 1 2H MET 1 1.055 -19.834 8.960 590 3H MET 1 3H MET 1 -0.627 -19.694 9.114 591 HA MET 1 HA MET 1 -0.445 -17.427 9.799 592 1HB MET 1 2HB MET 1 2.477 -18.058 9.689 593 2HB MET 1 1HB MET 1 1.938 -16.418 9.373 594 1HG MET 1 2HG MET 1 0.830 -16.395 11.582 595 2HG MET 1 1HG MET 1 1.484 -18.001 11.893 596 1HE MET 1 1HE MET 1 3.555 -15.512 14.194 597 2HE MET 1 2HE MET 1 2.462 -16.896 14.188 598 3HE MET 1 3HE MET 1 1.874 -15.306 13.704 599 HA PRO 2 HA PRO 2 -0.616 -16.861 5.344 600 1HB PRO 2 2HB PRO 2 -2.034 -14.397 6.024 601 2HB PRO 2 1HB PRO 2 -2.623 -15.809 5.142 602 1HG PRO 2 2HG PRO 2 -3.498 -15.175 7.625 603 2HG PRO 2 1HG PRO 2 -3.383 -16.848 7.045 604 1HD PRO 2 2HD PRO 2 -1.506 -15.324 8.820 605 2HD PRO 2 1HD PRO 2 -2.078 -17.004 8.959 606 H LYS 3 H LYS 3 0.692 -15.627 4.046 607 HA LYS 3 HA LYS 3 2.286 -13.575 5.426 608 1HB LYS 3 2HB LYS 3 3.496 -15.613 4.600 609 2HB LYS 3 1HB LYS 3 3.058 -15.152 2.964 610 1HG LYS 3 2HG LYS 3 4.203 -12.876 3.744 611 2HG LYS 3 1HG LYS 3 5.072 -13.994 4.795 612 1HD LYS 3 2HD LYS 3 4.912 -14.060 1.785 613 2HD LYS 3 1HD LYS 3 6.333 -13.733 2.774 614 1HE LYS 3 2HE LYS 3 6.210 -16.022 3.663 615 2HE LYS 3 1HE LYS 3 4.830 -16.342 2.611 616 1HZ LYS 3 1HZ LYS 3 6.763 -17.181 1.546 617 2HZ LYS 3 2HZ LYS 3 7.622 -15.742 1.800 618 3HZ LYS 3 3HZ LYS 3 6.328 -15.772 0.704 619 H ILE 4 H ILE 4 2.828 -11.698 4.281 620 HA ILE 4 HA ILE 4 0.932 -10.831 2.329 621 HB ILE 4 HB ILE 4 2.217 -8.757 2.271 622 1HG1 ILE 4 2HG1 ILE 4 4.439 -9.838 2.783 623 2HG1 ILE 4 1HG1 ILE 4 4.107 -8.314 3.573 624 1HG2 ILE 4 1HG2 ILE 4 1.744 -7.993 4.521 625 2HG2 ILE 4 2HG2 ILE 4 1.519 -9.666 5.031 626 3HG2 ILE 4 3HG2 ILE 4 0.430 -8.949 3.841 627 1HD1 ILE 4 1HD1 ILE 4 5.047 -9.519 5.275 628 2HD1 ILE 4 2HD1 ILE 4 4.330 -11.033 4.743 629 3HD1 ILE 4 3HD1 ILE 4 3.330 -9.824 5.552 630 H ILE 5 H ILE 5 1.198 -10.821 0.171 631 HA ILE 5 HA ILE 5 3.883 -11.328 -0.856 632 HB ILE 5 HB ILE 5 2.775 -11.890 -2.969 633 1HG1 ILE 5 2HG1 ILE 5 0.207 -11.643 -1.400 634 2HG1 ILE 5 1HG1 ILE 5 0.733 -10.543 -2.674 635 1HG2 ILE 5 1HG2 ILE 5 1.861 -14.057 -2.264 636 2HG2 ILE 5 2HG2 ILE 5 1.777 -13.463 -0.604 637 3HG2 ILE 5 3HG2 ILE 5 3.341 -13.655 -1.397 638 1HD1 ILE 5 1HD1 ILE 5 0.116 -13.475 -3.028 639 2HD1 ILE 5 2HD1 ILE 5 0.568 -12.338 -4.301 640 3HD1 ILE 5 3HD1 ILE 5 -0.958 -12.140 -3.442 641 H GLU 6 H GLU 6 4.846 -9.778 -2.070 642 HA GLU 6 HA GLU 6 3.572 -7.193 -1.999 643 1HB GLU 6 2HB GLU 6 6.345 -7.996 -2.885 644 2HB GLU 6 1HB GLU 6 5.764 -6.344 -2.770 645 1HG GLU 6 2HG GLU 6 7.012 -6.741 -0.808 646 2HG GLU 6 1HG GLU 6 5.323 -6.779 -0.335 647 H ALA 7 H ALA 7 3.050 -5.940 -3.730 648 HA ALA 7 HA ALA 7 3.280 -7.120 -6.412 649 1HB ALA 7 1HB ALA 7 0.962 -6.468 -6.900 650 2HB ALA 7 2HB ALA 7 0.759 -5.932 -5.231 651 3HB ALA 7 3HB ALA 7 1.040 -7.637 -5.582 652 H VAL 8 H VAL 8 2.878 -5.477 -8.120 653 HA VAL 8 HA VAL 8 3.508 -2.758 -7.229 654 HB VAL 8 HB VAL 8 4.655 -2.529 -9.465 655 1HG1 VAL 8 1HG1 VAL 8 6.741 -3.563 -8.697 656 2HG1 VAL 8 2HG1 VAL 8 5.828 -4.470 -7.490 657 3HG1 VAL 8 3HG1 VAL 8 5.907 -2.711 -7.397 658 1HG2 VAL 8 1HG2 VAL 8 4.536 -5.535 -9.421 659 2HG2 VAL 8 2HG2 VAL 8 5.446 -4.553 -10.571 660 3HG2 VAL 8 3HG2 VAL 8 3.683 -4.488 -10.551 661 H TYR 9 H TYR 9 2.165 -1.238 -7.846 662 HA TYR 9 HA TYR 9 -0.158 -1.783 -9.490 663 1HB TYR 9 2HB TYR 9 -0.259 -0.176 -7.638 664 2HB TYR 9 1HB TYR 9 0.959 0.834 -8.411 665 HD1 TYR 9 HD1 TYR 9 0.335 2.452 -10.020 666 HD2 TYR 9 HD2 TYR 9 -2.518 -0.441 -8.761 667 HE1 TYR 9 HE1 TYR 9 -1.430 3.682 -11.212 668 HE2 TYR 9 HE2 TYR 9 -4.292 0.777 -9.948 669 HH TYR 9 HH TYR 9 -3.651 3.190 -12.234 670 H GLU 10 H GLU 10 -0.078 -2.103 -11.371 671 HA GLU 10 HA GLU 10 1.569 -0.687 -13.274 672 1HB GLU 10 2HB GLU 10 1.222 -3.150 -13.431 673 2HB GLU 10 1HB GLU 10 -0.498 -2.874 -13.594 674 1HG GLU 10 2HG GLU 10 0.658 -3.452 -15.701 675 2HG GLU 10 1HG GLU 10 -0.211 -1.927 -15.764 676 H ASN 11 H ASN 11 -0.048 -0.256 -15.355 677 HA ASN 11 HA ASN 11 -1.189 2.217 -14.680 678 1HB ASN 11 2HB ASN 11 -0.311 0.934 -16.885 679 2HB ASN 11 1HB ASN 11 -2.041 0.917 -17.156 680 1HD2 ASN 11 1HD2 ASN 11 0.770 2.903 -16.807 681 2HD2 ASN 11 2HD2 ASN 11 0.067 4.349 -17.429 682 H GLY 12 H GLY 12 -2.494 0.853 -13.031 683 1HA GLY 12 2HA GLY 12 -4.860 1.187 -12.480 684 2HA GLY 12 1HA GLY 12 -5.249 0.622 -14.107 685 H VAL 13 H VAL 13 -2.597 -0.962 -12.874 686 HA VAL 13 HA VAL 13 -4.284 -3.331 -12.241 687 HB VAL 13 HB VAL 13 -1.458 -3.461 -13.192 688 1HG1 VAL 13 1HG1 VAL 13 -2.441 -5.507 -12.412 689 2HG1 VAL 13 2HG1 VAL 13 -2.246 -5.601 -14.163 690 3HG1 VAL 13 3HG1 VAL 13 -3.837 -5.288 -13.468 691 1HG2 VAL 13 1HG2 VAL 13 -3.867 -3.142 -14.993 692 2HG2 VAL 13 2HG2 VAL 13 -2.252 -3.592 -15.538 693 3HG2 VAL 13 3HG2 VAL 13 -2.529 -2.004 -14.816 694 H PHE 14 H PHE 14 -3.551 -4.709 -10.498 695 HA PHE 14 HA PHE 14 -0.982 -3.891 -9.318 696 1HB PHE 14 2HB PHE 14 -3.353 -5.255 -8.071 697 2HB PHE 14 1HB PHE 14 -1.774 -5.235 -7.315 698 HD1 PHE 14 HD1 PHE 14 -4.833 -3.469 -7.804 699 HD2 PHE 14 HD2 PHE 14 -0.730 -2.979 -6.793 700 HE1 PHE 14 HE1 PHE 14 -5.341 -1.280 -6.790 701 HE2 PHE 14 HE2 PHE 14 -1.231 -0.798 -5.786 702 HZ PHE 14 HZ PHE 14 -3.539 0.054 -5.780 703 H LYS 15 H LYS 15 0.592 -5.139 -9.974 704 HA LYS 15 HA LYS 15 0.064 -7.968 -10.607 705 1HB LYS 15 2HB LYS 15 2.363 -6.150 -11.366 706 2HB LYS 15 1HB LYS 15 2.268 -7.846 -11.767 707 1HG LYS 15 2HG LYS 15 0.242 -7.355 -13.115 708 2HG LYS 15 1HG LYS 15 0.512 -5.638 -12.788 709 1HD LYS 15 2HD LYS 15 2.772 -5.835 -13.758 710 2HD LYS 15 1HD LYS 15 2.440 -7.520 -14.149 711 1HE LYS 15 2HE LYS 15 0.573 -6.772 -15.590 712 2HE LYS 15 1HE LYS 15 1.012 -5.100 -15.245 713 1HZ LYS 15 1HZ LYS 15 2.674 -7.129 -16.634 714 2HZ LYS 15 2HZ LYS 15 3.237 -5.598 -16.181 715 3HZ LYS 15 3HZ LYS 15 1.985 -5.737 -17.318 716 HA PRO 16 HA PRO 16 2.406 -8.589 -6.781 717 1HB PRO 16 2HB PRO 16 2.452 -11.328 -6.972 718 2HB PRO 16 1HB PRO 16 1.124 -10.406 -6.256 719 1HG PRO 16 2HG PRO 16 1.350 -11.590 -8.994 720 2HG PRO 16 1HG PRO 16 -0.051 -11.517 -7.911 721 1HD PRO 16 2HD PRO 16 0.248 -9.837 -9.997 722 2HD PRO 16 1HD PRO 16 -0.546 -9.340 -8.490 723 H LEU 17 H LEU 17 4.435 -9.608 -6.276 724 HA LEU 17 HA LEU 17 6.114 -10.176 -8.625 725 1HB LEU 17 2HB LEU 17 6.912 -9.313 -5.834 726 2HB LEU 17 1HB LEU 17 8.049 -9.798 -7.075 727 HG LEU 17 HG LEU 17 6.997 -7.869 -8.459 728 1HD1 LEU 17 1HD1 LEU 17 5.125 -7.406 -6.999 729 2HD1 LEU 17 2HD1 LEU 17 6.196 -6.006 -7.087 730 3HD1 LEU 17 3HD1 LEU 17 6.226 -7.052 -5.668 731 1HD2 LEU 17 1HD2 LEU 17 8.590 -6.286 -7.477 732 2HD2 LEU 17 2HD2 LEU 17 9.292 -7.894 -7.665 733 3HD2 LEU 17 3HD2 LEU 17 8.764 -7.341 -6.075 734 H GLN 18 H GLN 18 4.413 -11.424 -6.108 735 HA GLN 18 HA GLN 18 6.074 -13.846 -5.875 736 1HB GLN 18 2HB GLN 18 3.554 -13.277 -4.326 737 2HB GLN 18 1HB GLN 18 4.862 -14.377 -3.919 738 1HG GLN 18 2HG GLN 18 4.984 -11.371 -3.880 739 2HG GLN 18 1HG GLN 18 4.890 -12.438 -2.480 740 1HE2 GLN 18 1HE2 GLN 18 6.902 -10.463 -3.171 741 2HE2 GLN 18 2HE2 GLN 18 8.399 -11.315 -3.261 742 H LYS 19 H LYS 19 5.043 -15.938 -6.231 743 HA LYS 19 HA LYS 19 3.041 -15.884 -8.279 744 1HB LYS 19 2HB LYS 19 4.398 -18.099 -6.780 745 2HB LYS 19 1HB LYS 19 3.033 -18.422 -7.836 746 1HG LYS 19 2HG LYS 19 4.366 -17.216 -9.643 747 2HG LYS 19 1HG LYS 19 5.743 -17.373 -8.549 748 1HD LYS 19 2HD LYS 19 5.395 -19.794 -8.482 749 2HD LYS 19 1HD LYS 19 4.046 -19.626 -9.603 750 1HE LYS 19 2HE LYS 19 5.596 -18.658 -11.265 751 2HE LYS 19 1HE LYS 19 6.932 -18.944 -10.150 752 1HZ LYS 19 1HZ LYS 19 5.159 -21.039 -11.291 753 2HZ LYS 19 2HZ LYS 19 6.458 -21.308 -10.236 754 3HZ LYS 19 3HZ LYS 19 6.746 -20.707 -11.799 755 H VAL 20 H VAL 20 0.934 -16.454 -8.131 756 HA VAL 20 HA VAL 20 -0.163 -16.610 -5.401 757 HB VAL 20 HB VAL 20 -1.699 -15.415 -7.696 758 1HG1 VAL 20 1HG1 VAL 20 -1.870 -15.050 -4.714 759 2HG1 VAL 20 2HG1 VAL 20 -2.931 -16.059 -5.694 760 3HG1 VAL 20 3HG1 VAL 20 -2.932 -14.308 -5.908 761 1HG2 VAL 20 1HG2 VAL 20 0.369 -14.130 -7.547 762 2HG2 VAL 20 2HG2 VAL 20 0.109 -13.903 -5.817 763 3HG2 VAL 20 3HG2 VAL 20 -1.009 -13.187 -6.978 764 H ASP 21 H ASP 21 -1.955 -17.903 -5.109 765 HA ASP 21 HA ASP 21 -2.296 -19.949 -7.195 766 1HB ASP 21 2HB ASP 21 -0.722 -20.495 -5.261 767 2HB ASP 21 1HB ASP 21 -2.144 -20.495 -4.237 768 H LEU 22 H LEU 22 -3.768 -17.578 -6.027 769 HA LEU 22 HA LEU 22 -6.163 -18.676 -4.854 770 1HB LEU 22 2HB LEU 22 -5.432 -15.880 -5.729 771 2HB LEU 22 1HB LEU 22 -6.894 -16.311 -4.874 772 HG LEU 22 HG LEU 22 -4.115 -16.687 -3.775 773 1HD1 LEU 22 1HD1 LEU 22 -4.597 -14.788 -2.347 774 2HD1 LEU 22 2HD1 LEU 22 -6.156 -14.567 -3.140 775 3HD1 LEU 22 3HD1 LEU 22 -4.664 -14.322 -4.046 776 1HD2 LEU 22 1HD2 LEU 22 -5.264 -17.076 -1.661 777 2HD2 LEU 22 2HD2 LEU 22 -5.752 -18.258 -2.875 778 3HD2 LEU 22 3HD2 LEU 22 -6.824 -16.916 -2.469 779 H LYS 23 H LYS 23 -8.211 -17.266 -5.964 780 HA LYS 23 HA LYS 23 -8.157 -17.987 -8.784 781 1HB LYS 23 2HB LYS 23 -10.363 -18.921 -8.628 782 2HB LYS 23 1HB LYS 23 -9.322 -19.741 -7.494 783 1HG LYS 23 2HG LYS 23 -11.137 -17.502 -6.668 784 2HG LYS 23 1HG LYS 23 -11.681 -19.175 -6.740 785 1HD LYS 23 2HD LYS 23 -9.773 -19.755 -5.205 786 2HD LYS 23 1HD LYS 23 -9.494 -18.025 -5.013 787 1HE LYS 23 2HE LYS 23 -11.793 -17.766 -4.190 788 2HE LYS 23 1HE LYS 23 -12.028 -19.506 -4.338 789 1HZ LYS 23 1HZ LYS 23 -11.512 -19.027 -2.088 790 2HZ LYS 23 2HZ LYS 23 -10.167 -18.082 -2.515 791 3HZ LYS 23 3HZ LYS 23 -10.138 -19.769 -2.756 792 H GLU 24 H GLU 24 -10.361 -17.138 -9.789 793 HA GLU 24 HA GLU 24 -10.159 -14.332 -9.753 794 1HB GLU 24 2HB GLU 24 -12.121 -16.254 -10.947 795 2HB GLU 24 1HB GLU 24 -12.319 -14.529 -11.103 796 1HG GLU 24 2HG GLU 24 -11.290 -15.408 -13.085 797 2HG GLU 24 1HG GLU 24 -10.156 -14.374 -12.226 798 H GLY 25 H GLY 25 -11.369 -12.804 -8.828 799 1HA GLY 25 2HA GLY 25 -13.139 -11.824 -7.690 800 2HA GLY 25 1HA GLY 25 -13.888 -13.406 -7.548 801 H GLU 26 H GLU 26 -10.608 -13.259 -6.576 802 HA GLU 26 HA GLU 26 -11.342 -13.826 -3.871 803 1HB GLU 26 2HB GLU 26 -9.501 -14.944 -5.164 804 2HB GLU 26 1HB GLU 26 -8.607 -13.432 -5.094 805 1HG GLU 26 2HG GLU 26 -7.879 -15.019 -3.427 806 2HG GLU 26 1HG GLU 26 -8.523 -13.552 -2.701 807 H ARG 27 H ARG 27 -11.415 -12.423 -2.234 808 HA ARG 27 HA ARG 27 -11.041 -9.617 -2.842 809 1HB ARG 27 2HB ARG 27 -12.075 -10.969 -0.358 810 2HB ARG 27 1HB ARG 27 -12.071 -9.241 -0.632 811 1HG ARG 27 2HG ARG 27 -13.510 -11.145 -2.448 812 2HG ARG 27 1HG ARG 27 -14.257 -10.447 -1.009 813 1HD ARG 27 2HD ARG 27 -13.060 -8.870 -3.284 814 2HD ARG 27 1HD ARG 27 -14.780 -9.189 -3.069 815 HE ARG 27 HE ARG 27 -13.154 -7.615 -1.168 816 1HH1 ARG 27 1HH1 ARG 27 -16.143 -8.212 -2.898 817 2HH1 ARG 27 2HH1 ARG 27 -16.973 -6.872 -2.169 818 1HH2 ARG 27 1HH2 ARG 27 -14.226 -5.829 -0.228 819 2HH2 ARG 27 2HH2 ARG 27 -15.881 -5.506 -0.665 820 H VAL 28 H VAL 28 -9.435 -8.387 -2.180 821 HA VAL 28 HA VAL 28 -7.690 -9.242 0.008 822 HB VAL 28 HB VAL 28 -5.654 -8.707 -1.309 823 1HG1 VAL 28 1HG1 VAL 28 -7.344 -10.906 -2.491 824 2HG1 VAL 28 2HG1 VAL 28 -6.327 -11.032 -1.055 825 3HG1 VAL 28 3HG1 VAL 28 -5.593 -10.762 -2.637 826 1HG2 VAL 28 1HG2 VAL 28 -5.775 -8.556 -3.739 827 2HG2 VAL 28 2HG2 VAL 28 -6.694 -7.258 -2.979 828 3HG2 VAL 28 3HG2 VAL 28 -7.536 -8.647 -3.666 829 H LYS 29 H LYS 29 -6.141 -7.480 0.610 830 HA LYS 29 HA LYS 29 -7.260 -4.815 0.060 831 1HB LYS 29 2HB LYS 29 -6.139 -5.989 2.577 832 2HB LYS 29 1HB LYS 29 -6.041 -4.267 2.292 833 1HG LYS 29 2HG LYS 29 -8.579 -4.396 1.897 834 2HG LYS 29 1HG LYS 29 -8.469 -5.969 2.694 835 1HD LYS 29 2HD LYS 29 -7.480 -4.938 4.654 836 2HD LYS 29 1HD LYS 29 -7.480 -3.366 3.858 837 1HE LYS 29 2HE LYS 29 -9.346 -3.320 5.279 838 2HE LYS 29 1HE LYS 29 -10.008 -3.637 3.678 839 1HZ LYS 29 1HZ LYS 29 -9.481 -5.694 5.756 840 2HZ LYS 29 2HZ LYS 29 -10.166 -5.979 4.234 841 3HZ LYS 29 3HZ LYS 29 -11.003 -5.046 5.384 842 H ILE 30 H ILE 30 -5.851 -3.206 -0.330 843 HA ILE 30 HA ILE 30 -3.036 -3.962 -0.856 844 HB ILE 30 HB ILE 30 -4.409 -1.678 -2.231 845 1HG1 ILE 30 2HG1 ILE 30 -5.820 -3.672 -2.662 846 2HG1 ILE 30 1HG1 ILE 30 -5.022 -3.083 -4.122 847 1HG2 ILE 30 1HG2 ILE 30 -2.724 -2.124 -3.961 848 2HG2 ILE 30 2HG2 ILE 30 -2.103 -3.456 -2.986 849 3HG2 ILE 30 3HG2 ILE 30 -2.004 -1.801 -2.382 850 1HD1 ILE 30 1HD1 ILE 30 -4.981 -5.487 -4.061 851 2HD1 ILE 30 2HD1 ILE 30 -4.233 -5.475 -2.464 852 3HD1 ILE 30 3HD1 ILE 30 -3.340 -4.872 -3.861 853 H LYS 31 H LYS 31 -1.496 -2.498 -0.205 854 HA LYS 31 HA LYS 31 -2.253 0.011 0.995 855 1HB LYS 31 2HB LYS 31 -2.666 -1.585 2.802 856 2HB LYS 31 1HB LYS 31 -1.033 -2.214 2.633 857 1HG LYS 31 2HG LYS 31 -1.156 -0.741 4.509 858 2HG LYS 31 1HG LYS 31 -0.142 -0.023 3.267 859 1HD LYS 31 2HD LYS 31 -1.902 1.461 2.604 860 2HD LYS 31 1HD LYS 31 -3.054 0.644 3.662 861 1HE LYS 31 2HE LYS 31 -2.360 2.688 4.713 862 2HE LYS 31 1HE LYS 31 -1.681 1.329 5.607 863 1HZ LYS 31 1HZ LYS 31 -0.291 3.199 3.780 864 2HZ LYS 31 2HZ LYS 31 0.392 1.712 4.216 865 3HZ LYS 31 3HZ LYS 31 0.051 2.866 5.407 866 H LEU 32 H LEU 32 -0.740 1.428 0.485 867 HA LEU 32 HA LEU 32 1.855 0.775 -0.436 868 1HB LEU 32 2HB LEU 32 0.715 3.332 0.687 869 2HB LEU 32 1HB LEU 32 2.338 3.202 0.062 870 HG LEU 32 HG LEU 32 0.983 4.212 -1.609 871 1HD1 LEU 32 1HD1 LEU 32 1.228 2.659 -3.473 872 2HD1 LEU 32 2HD1 LEU 32 1.528 1.354 -2.325 873 3HD1 LEU 32 3HD1 LEU 32 2.654 2.707 -2.435 874 1HD2 LEU 32 1HD2 LEU 32 -0.866 1.849 -1.379 875 2HD2 LEU 32 2HD2 LEU 32 -0.996 3.143 -2.570 876 3HD2 LEU 32 3HD2 LEU 32 -1.209 3.496 -0.856 877 H GLU 33 H GLU 33 3.641 0.290 0.724 878 HA GLU 33 HA GLU 33 3.163 -0.394 3.434 879 1HB GLU 33 2HB GLU 33 5.483 -0.645 1.608 880 2HB GLU 33 1HB GLU 33 5.737 -0.859 3.327 881 1HG GLU 33 2HG GLU 33 3.815 -2.385 1.603 882 2HG GLU 33 1HG GLU 33 5.326 -2.988 2.288 883 H LEU 34 H LEU 34 4.372 0.171 5.271 884 HA LEU 34 HA LEU 34 5.206 2.974 5.330 885 1HB LEU 34 2HB LEU 34 2.979 2.979 6.128 886 2HB LEU 34 1HB LEU 34 3.205 1.472 6.992 887 HG LEU 34 HG LEU 34 4.800 2.699 8.473 888 1HD1 LEU 34 1HD1 LEU 34 4.491 5.144 8.631 889 2HD1 LEU 34 2HD1 LEU 34 3.496 5.091 7.175 890 3HD1 LEU 34 3HD1 LEU 34 5.203 4.656 7.093 891 1HD2 LEU 34 1HD2 LEU 34 2.581 2.058 9.204 892 2HD2 LEU 34 2HD2 LEU 34 1.904 3.517 8.480 893 3HD2 LEU 34 3HD2 LEU 34 3.003 3.644 9.852 894 H LYS 35 H LYS 35 6.531 3.452 7.266 895 HA LYS 35 HA LYS 35 8.277 1.211 7.912 896 1HB LYS 35 2HB LYS 35 8.619 4.181 8.314 897 2HB LYS 35 1HB LYS 35 9.827 2.960 8.617 898 1HG LYS 35 2HG LYS 35 10.037 2.460 6.301 899 2HG LYS 35 1HG LYS 35 8.636 3.465 5.909 900 1HD LYS 35 2HD LYS 35 9.840 5.445 6.695 901 2HD LYS 35 1HD LYS 35 11.238 4.444 7.083 902 1HE LYS 35 2HE LYS 35 11.522 3.877 4.751 903 2HE LYS 35 1HE LYS 35 10.055 4.758 4.331 904 1HZ LYS 35 1HZ LYS 35 11.063 6.801 4.921 905 2HZ LYS 35 2HZ LYS 35 12.161 5.989 3.913 906 3HZ LYS 35 3HZ LYS 35 12.417 6.033 5.591 907 H VAL 36 H VAL 36 9.002 0.920 10.094 908 HA VAL 36 HA VAL 36 7.215 2.069 12.130 909 HB VAL 36 HB VAL 36 7.197 -0.392 11.962 910 1HG1 VAL 36 1HG1 VAL 36 9.140 -1.683 12.764 911 2HG1 VAL 36 2HG1 VAL 36 10.082 -0.192 12.794 912 3HG1 VAL 36 3HG1 VAL 36 9.470 -0.817 11.262 913 1HG2 VAL 36 1HG2 VAL 36 6.606 0.609 14.067 914 2HG2 VAL 36 2HG2 VAL 36 8.306 0.725 14.524 915 3HG2 VAL 36 3HG2 VAL 36 7.539 -0.856 14.368 916 H GLU 37 H GLU 37 8.125 2.869 14.039 917 HA GLU 37 HA GLU 37 11.002 3.069 14.277 918 1HB GLU 37 2HB GLU 37 10.303 4.982 12.798 919 2HB GLU 37 1HB GLU 37 9.335 5.590 14.135 920 1HG GLU 37 2HG GLU 37 11.317 5.844 15.492 921 2HG GLU 37 1HG GLU 37 12.306 5.167 14.199 922 HA PRO 38 HA PRO 38 9.480 2.798 18.456 923 1HB PRO 38 2HB PRO 38 11.835 2.444 19.683 924 2HB PRO 38 1HB PRO 38 11.121 1.178 18.675 925 1HG PRO 38 2HG PRO 38 13.284 3.138 18.007 926 2HG PRO 38 1HG PRO 38 13.195 1.406 17.639 927 1HD PRO 38 2HD PRO 38 12.573 3.381 15.843 928 2HD PRO 38 1HD PRO 38 11.885 1.746 15.792 929 H ILE 39 H ILE 39 10.064 3.826 20.598 930 HA ILE 39 HA ILE 39 10.368 6.674 20.209 931 HB ILE 39 HB ILE 39 9.771 6.813 22.604 932 1HG1 ILE 39 2HG1 ILE 39 9.500 3.810 22.411 933 2HG1 ILE 39 1HG1 ILE 39 10.750 4.660 23.311 934 1HG2 ILE 39 1HG2 ILE 39 7.451 6.007 22.352 935 2HG2 ILE 39 2HG2 ILE 39 7.941 5.156 20.886 936 3HG2 ILE 39 3HG2 ILE 39 8.023 6.916 20.954 937 1HD1 ILE 39 1HD1 ILE 39 7.797 4.745 23.873 938 2HD1 ILE 39 2HD1 ILE 39 9.042 5.608 24.775 939 3HD1 ILE 39 3HD1 ILE 39 9.011 3.845 24.784 940 H ASP 40 H ASP 40 11.802 7.946 21.579 941 HA ASP 40 HA ASP 40 14.325 6.567 22.123 942 1HB ASP 40 2HB ASP 40 14.405 8.652 20.802 943 2HB ASP 40 1HB ASP 40 13.676 9.529 22.143 944 H LEU 41 H LEU 41 15.155 6.337 24.175 945 HA LEU 41 HA LEU 41 13.795 7.608 26.398 946 1HB LEU 41 2HB LEU 41 13.455 5.388 27.537 947 2HB LEU 41 1HB LEU 41 12.377 5.733 26.202 948 HG LEU 41 HG LEU 41 14.020 4.319 24.785 949 1HD1 LEU 41 1HD1 LEU 41 15.812 4.182 26.429 950 2HD1 LEU 41 2HD1 LEU 41 15.199 2.581 26.014 951 3HD1 LEU 41 3HD1 LEU 41 14.737 3.335 27.541 952 1HD2 LEU 41 1HD2 LEU 41 12.280 3.036 26.886 953 2HD2 LEU 41 2HD2 LEU 41 12.835 2.270 25.397 954 3HD2 LEU 41 3HD2 LEU 41 11.743 3.653 25.326 955 H GLY 42 H GLY 42 14.875 7.149 28.485 956 1HA GLY 42 2HA GLY 42 17.210 5.691 28.773 957 2HA GLY 42 1HA GLY 42 17.669 7.331 28.319 958 H GLU 43 H GLU 43 18.626 7.533 30.412 959 HA GLU 43 HA GLU 43 16.678 8.310 32.434 960 1HB GLU 43 2HB GLU 43 19.019 6.464 32.779 961 2HB GLU 43 1HB GLU 43 18.348 7.356 34.126 962 1HG GLU 43 2HG GLU 43 16.176 6.298 33.750 963 2HG GLU 43 1HG GLU 43 16.851 5.420 32.380 964 HA PRO 44 HA PRO 44 19.183 11.961 32.221 965 1HB PRO 44 2HB PRO 44 17.774 12.804 34.647 966 2HB PRO 44 1HB PRO 44 17.743 13.512 33.031 967 1HG PRO 44 2HG PRO 44 15.626 12.204 34.069 968 2HG PRO 44 1HG PRO 44 16.002 12.174 32.336 969 1HD PRO 44 2HD PRO 44 16.540 10.108 34.434 970 2HD PRO 44 1HD PRO 44 15.969 9.893 32.766 971 H VAL 45 H VAL 45 21.235 11.871 32.846 972 HA VAL 45 HA VAL 45 21.822 11.666 35.732 973 HB VAL 45 HB VAL 45 23.749 10.796 33.588 974 1HG1 VAL 45 1HG1 VAL 45 23.610 10.261 36.550 975 2HG1 VAL 45 2HG1 VAL 45 24.751 11.316 35.719 976 3HG1 VAL 45 3HG1 VAL 45 24.810 9.574 35.454 977 1HG2 VAL 45 1HG2 VAL 45 23.141 8.458 34.097 978 2HG2 VAL 45 2HG2 VAL 45 21.812 9.354 33.361 979 3HG2 VAL 45 3HG2 VAL 45 21.812 9.042 35.097 980 H SER 46 H SER 46 23.631 12.971 36.414 981 HA SER 46 HA SER 46 23.940 15.337 34.723 982 1HB SER 46 2HB SER 46 24.743 15.453 37.562 983 2HB SER 46 1HB SER 46 23.812 16.594 36.602 984 HG SER 46 HG SER 46 22.163 15.823 37.649 985 H VAL 47 H VAL 47 25.909 16.287 34.437 986 HA VAL 47 HA VAL 47 28.320 15.262 35.644 987 HB VAL 47 HB VAL 47 27.826 13.826 33.628 988 1HG1 VAL 47 1HG1 VAL 47 28.358 14.722 31.419 989 2HG1 VAL 47 2HG1 VAL 47 28.504 16.333 32.123 990 3HG1 VAL 47 3HG1 VAL 47 26.950 15.499 32.139 991 1HG2 VAL 47 1HG2 VAL 47 30.405 15.378 33.629 992 2HG2 VAL 47 2HG2 VAL 47 30.149 13.821 32.838 993 3HG2 VAL 47 3HG2 VAL 47 30.047 13.946 34.595 994 H GLU 48 H GLU 48 30.103 16.773 35.380 995 HA GLU 48 HA GLU 48 29.161 19.360 34.351 996 1HB GLU 48 2HB GLU 48 30.522 20.490 36.030 997 2HB GLU 48 1HB GLU 48 29.289 19.473 36.734 998 1HG GLU 48 2HG GLU 48 32.176 18.668 36.471 999 2HG GLU 48 1HG GLU 48 31.499 19.444 37.897 1000 H GLU 49 H GLU 49 30.063 19.877 32.608 1001 HA GLU 49 HA GLU 49 32.834 19.278 31.977 1002 1HB GLU 49 2HB GLU 49 31.151 19.210 30.198 1003 2HB GLU 49 1HB GLU 49 30.729 20.886 30.510 1004 1HG GLU 49 2HG GLU 49 32.059 20.941 28.594 1005 2HG GLU 49 1HG GLU 49 33.128 21.452 29.898 1006 H ILE 50 H ILE 50 30.949 21.765 33.345 1007 HA ILE 50 HA ILE 50 32.645 23.960 32.599 1008 HB ILE 50 HB ILE 50 30.411 23.988 34.623 1009 1HG1 ILE 50 2HG1 ILE 50 29.590 23.011 32.521 1010 2HG1 ILE 50 1HG1 ILE 50 28.909 24.608 32.782 1011 1HG2 ILE 50 1HG2 ILE 50 31.797 25.985 34.616 1012 2HG2 ILE 50 2HG2 ILE 50 30.196 26.346 33.965 1013 3HG2 ILE 50 3HG2 ILE 50 31.571 26.151 32.876 1014 1HD1 ILE 50 1HD1 ILE 50 29.518 24.279 30.463 1015 2HD1 ILE 50 2HD1 ILE 50 31.186 23.960 30.933 1016 3HD1 ILE 50 3HD1 ILE 50 30.488 25.558 31.194 1017 H LYS 51 H LYS 51 32.813 21.640 34.983 1018 HA LYS 51 HA LYS 51 34.624 23.310 36.567 1019 1HB LYS 51 2HB LYS 51 32.161 22.800 37.518 1020 2HB LYS 51 1HB LYS 51 32.976 21.355 38.083 1021 1HG LYS 51 2HG LYS 51 33.776 24.197 38.699 1022 2HG LYS 51 1HG LYS 51 32.935 23.093 39.788 1023 1HD LYS 51 2HD LYS 51 34.863 21.612 39.803 1024 2HD LYS 51 1HD LYS 51 35.694 22.652 38.645 1025 1HE LYS 51 2HE LYS 51 35.519 24.499 40.331 1026 2HE LYS 51 1HE LYS 51 34.928 23.301 41.484 1027 1HZ LYS 51 1HZ LYS 51 37.035 22.047 41.030 1028 2HZ LYS 51 2HZ LYS 51 37.235 23.518 41.839 1029 3HZ LYS 51 3HZ LYS 51 37.597 23.405 40.187 1030 H LYS 52 H LYS 52 36.451 22.328 37.135 1031 HA LYS 52 HA LYS 52 36.633 19.406 36.989 1032 1HB LYS 52 2HB LYS 52 37.360 20.558 34.796 1033 2HB LYS 52 1HB LYS 52 38.740 21.149 35.709 1034 1HG LYS 52 2HG LYS 52 39.549 18.952 36.076 1035 2HG LYS 52 1HG LYS 52 38.051 18.234 35.475 1036 1HD LYS 52 2HD LYS 52 38.516 19.162 33.251 1037 2HD LYS 52 1HD LYS 52 40.026 19.846 33.857 1038 1HE LYS 52 2HE LYS 52 40.898 17.646 34.307 1039 2HE LYS 52 1HE LYS 52 39.356 16.906 33.881 1040 1HZ LYS 52 1HZ LYS 52 41.110 18.420 32.018 1041 2HZ LYS 52 2HZ LYS 52 39.637 17.675 31.619 1042 3HZ LYS 52 3HZ LYS 52 40.964 16.729 32.084 1043 H ILE 53 H ILE 53 38.987 18.797 37.813 1044 HA ILE 53 HA ILE 53 40.061 18.444 39.752 1045 HB ILE 53 HB ILE 53 40.276 21.428 39.544 1046 1HG1 ILE 53 2HG1 ILE 53 42.707 20.613 38.997 1047 2HG1 ILE 53 1HG1 ILE 53 41.905 19.104 38.614 1048 1HG2 ILE 53 1HG2 ILE 53 41.807 19.582 41.372 1049 2HG2 ILE 53 2HG2 ILE 53 40.615 20.783 41.872 1050 3HG2 ILE 53 3HG2 ILE 53 42.132 21.300 41.136 1051 1HD1 ILE 53 1HD1 ILE 53 40.534 20.268 36.962 1052 2HD1 ILE 53 2HD1 ILE 53 42.258 20.446 36.632 1053 3HD1 ILE 53 3HD1 ILE 53 41.354 21.778 37.353 1054 H ARG 54 H ARG 54 38.799 17.597 41.257 1055 HA ARG 54 HA ARG 54 37.538 19.368 43.189 1056 1HB ARG 54 2HB ARG 54 35.750 18.862 41.617 1057 2HB ARG 54 1HB ARG 54 36.093 17.142 41.734 1058 1HG ARG 54 2HG ARG 54 35.311 17.063 43.976 1059 2HG ARG 54 1HG ARG 54 35.204 18.822 44.053 1060 1HD ARG 54 2HD ARG 54 33.012 17.682 43.721 1061 2HD ARG 54 1HD ARG 54 33.416 18.856 42.470 1062 HE ARG 54 HE ARG 54 34.164 16.129 41.851 1063 1HH1 ARG 54 1HH1 ARG 54 31.615 18.534 41.636 1064 2HH1 ARG 54 2HH1 ARG 54 30.861 17.792 40.253 1065 1HH2 ARG 54 1HH2 ARG 54 33.179 15.171 40.037 1066 2HH2 ARG 54 2HH2 ARG 54 31.751 15.890 39.349 1067 H ASP 55 H ASP 55 38.028 18.727 45.179 1068 HA ASP 55 HA ASP 55 39.511 16.256 45.493 1069 1HB ASP 55 2HB ASP 55 38.960 18.563 47.356 1070 2HB ASP 55 1HB ASP 55 39.784 17.100 47.881 1071 H GLY 56 H GLY 56 39.148 15.000 47.538 1072 1HA GLY 56 2HA GLY 56 36.579 14.858 48.721 1073 2HA GLY 56 1HA GLY 56 36.728 13.659 47.442 1074 H THR 57 H THR 57 36.372 12.304 49.479 1075 HA THR 57 HA THR 57 37.178 10.674 50.830 1076 HB THR 57 HB THR 57 39.876 11.570 49.856 1077 HG1 THR 57 HG1 THR 57 37.900 9.892 48.815 1078 1HG2 THR 57 1HG2 THR 57 40.053 10.250 51.916 1079 2HG2 THR 57 2HG2 THR 57 40.657 9.338 50.532 1080 3HG2 THR 57 3HG2 THR 57 39.059 8.987 51.187 1081 H TRP 58 H TRP 58 37.825 10.463 52.970 1082 HA TRP 58 HA TRP 58 38.465 13.007 54.298 1083 1HB TRP 58 2HB TRP 58 36.236 12.128 54.835 1084 2HB TRP 58 1HB TRP 58 36.946 10.606 55.355 1085 HD1 TRP 58 HD1 TRP 58 37.230 10.412 57.887 1086 HE1 TRP 58 HE1 TRP 58 37.451 12.061 59.854 1087 HE3 TRP 58 HE3 TRP 58 37.283 14.806 55.269 1088 HZ2 TRP 58 HZ2 TRP 58 37.635 14.855 60.244 1089 HZ3 TRP 58 HZ3 TRP 58 37.491 16.924 56.509 1090 HH2 TRP 58 HH2 TRP 58 37.663 16.946 58.948 1091 H MET 59 H MET 59 40.204 13.131 55.625 1092 HA MET 59 HA MET 59 42.072 10.938 55.607 1093 1HB MET 59 2HB MET 59 42.864 13.257 55.402 1094 2HB MET 59 1HB MET 59 42.200 13.628 56.986 1095 1HG MET 59 2HG MET 59 43.731 11.944 57.967 1096 2HG MET 59 1HG MET 59 44.461 11.740 56.375 1097 1HE MET 59 1HE MET 59 44.346 14.760 55.272 1098 2HE MET 59 2HE MET 59 45.752 13.713 55.080 1099 3HE MET 59 3HE MET 59 45.940 15.340 55.742 1100 H SER 60 H SER 60 42.327 9.457 57.152 1101 HA SER 60 HA SER 60 40.522 9.258 59.309 1102 1HB SER 60 2HB SER 60 43.127 7.782 58.948 1103 2HB SER 60 1HB SER 60 41.753 7.269 59.920 1104 HG SER 60 HG SER 60 40.526 7.236 57.927 1105 H SER 61 H SER 61 40.572 10.689 60.873 1106 HA SER 61 HA SER 61 43.107 11.455 62.119 1107 1HB SER 61 2HB SER 61 40.339 12.525 62.726 1108 2HB SER 61 1HB SER 61 41.888 13.252 63.154 1109 HG SER 61 HG SER 61 42.216 13.832 61.078 1110 H LEU 62 H LEU 62 41.092 9.000 62.308 1111 HA LEU 62 HA LEU 62 40.437 7.457 63.773 1112 1HB LEU 62 2HB LEU 62 42.699 8.712 65.295 1113 2HB LEU 62 1HB LEU 62 41.749 7.411 65.963 1114 HG LEU 62 HG LEU 62 42.380 6.019 63.971 1115 1HD1 LEU 62 1HD1 LEU 62 44.361 8.243 63.516 1116 2HD1 LEU 62 2HD1 LEU 62 43.020 7.820 62.452 1117 3HD1 LEU 62 3HD1 LEU 62 44.349 6.684 62.693 1118 1HD2 LEU 62 1HD2 LEU 62 43.445 5.751 66.145 1119 2HD2 LEU 62 2HD2 LEU 62 44.612 7.007 65.733 1120 3HD2 LEU 62 3HD2 LEU 62 44.599 5.492 64.832 1121 H GLU 63 H GLU 63 39.783 7.208 66.249 1122 HA GLU 63 HA GLU 63 38.190 9.577 66.951 1123 1HB GLU 63 2HB GLU 63 37.274 6.942 66.234 1124 2HB GLU 63 1HB GLU 63 36.821 7.301 67.895 1125 1HG GLU 63 2HG GLU 63 36.225 9.043 65.517 1126 2HG GLU 63 1HG GLU 63 35.087 7.940 66.289 1127 H HIS 64 H HIS 64 37.967 10.029 69.105 1128 HA HIS 64 HA HIS 64 39.945 8.870 70.844 1129 1HB HIS 64 2HB HIS 64 39.217 10.537 72.496 1130 2HB HIS 64 1HB HIS 64 39.544 11.286 70.944 1131 HD1 HIS 64 HD1 HIS 64 37.418 11.852 73.542 1132 HD2 HIS 64 HD2 HIS 64 36.668 11.166 69.509 1133 HE1 HIS 64 HE1 HIS 64 35.139 12.812 73.105 1134 HE2 HIS 64 HE2 HIS 64 34.775 12.530 70.628 1135 H HIS 65 H HIS 65 39.351 6.760 71.126 1136 HA HIS 65 HA HIS 65 36.698 6.146 72.143 1137 1HB HIS 65 2HB HIS 65 37.809 4.686 70.448 1138 2HB HIS 65 1HB HIS 65 39.036 4.289 71.643 1139 HD1 HIS 65 HD1 HIS 65 35.989 3.032 70.284 1140 HD2 HIS 65 HD2 HIS 65 37.746 3.013 74.055 1141 HE1 HIS 65 HE1 HIS 65 34.819 1.216 71.576 1142 HE2 HIS 65 HE2 HIS 65 36.039 1.092 73.771 1143 H HIS 66 H HIS 66 36.285 6.294 74.223 1144 HA HIS 66 HA HIS 66 38.360 5.400 76.099 1145 1HB HIS 66 2HB HIS 66 37.814 7.100 77.681 1146 2HB HIS 66 1HB HIS 66 38.037 7.914 76.140 1147 HD1 HIS 66 HD1 HIS 66 35.708 7.591 78.905 1148 HD2 HIS 66 HD2 HIS 66 35.463 8.608 74.878 1149 HE1 HIS 66 HE1 HIS 66 33.488 8.743 78.623 1150 HE2 HIS 66 HE2 HIS 66 33.269 9.125 76.145 1151 H HIS 67 H HIS 67 37.735 3.756 77.321 1152 HA HIS 67 HA HIS 67 34.921 3.035 77.397 1153 1HB HIS 67 2HB HIS 67 36.865 1.362 77.141 1154 2HB HIS 67 1HB HIS 67 37.143 1.608 78.860 1155 HD1 HIS 67 HD1 HIS 67 35.653 0.333 80.470 1156 HD2 HIS 67 HD2 HIS 67 34.341 0.113 76.525 1157 HE1 HIS 67 HE1 HIS 67 33.850 -1.418 80.450 1158 HE2 HIS 67 HE2 HIS 67 33.201 -1.661 78.024 1159 H HIS 68 H HIS 68 36.739 2.286 80.194 1160 HA HIS 68 HA HIS 68 36.716 4.276 81.957 1161 1HB HIS 68 2HB HIS 68 34.277 4.684 81.330 1162 2HB HIS 68 1HB HIS 68 33.905 3.139 82.086 1163 HD1 HIS 68 HD1 HIS 68 33.564 3.137 84.569 1164 HD2 HIS 68 HD2 HIS 68 35.306 6.654 83.192 1165 HE1 HIS 68 HE1 HIS 68 33.655 4.677 86.555 1166 HE2 HIS 68 HE2 HIS 68 34.469 6.867 85.625 1167 H HIS 69 H HIS 69 37.182 3.485 84.037 1168 HA HIS 69 HA HIS 69 36.390 0.740 84.635 1169 1HB HIS 69 2HB HIS 69 38.741 0.731 83.698 1170 2HB HIS 69 1HB HIS 69 39.225 1.691 85.093 1171 HD1 HIS 69 HD1 HIS 69 38.971 0.502 87.464 1172 HD2 HIS 69 HD2 HIS 69 38.544 -1.960 84.142 1173 HE1 HIS 69 HE1 HIS 69 39.198 -1.850 88.328 1174 HE2 HIS 69 HE2 HIS 69 38.776 -3.326 86.329 Start of MODEL 4 1 1H MET 1 1H MET 1 -2.096 7.169 6.179 2 2H MET 1 2H MET 1 -1.305 7.242 4.680 3 3H MET 1 3H MET 1 -1.514 5.752 5.460 4 HA MET 1 HA MET 1 -3.730 7.449 4.480 5 1HB MET 1 2HB MET 1 -2.372 6.538 2.633 6 2HB MET 1 1HB MET 1 -2.526 4.926 3.310 7 1HG MET 1 2HG MET 1 -4.982 5.085 2.990 8 2HG MET 1 1HG MET 1 -4.732 6.631 2.182 9 1HE MET 1 1HE MET 1 -5.986 5.834 0.015 10 2HE MET 1 2HE MET 1 -6.329 4.294 0.807 11 3HE MET 1 3HE MET 1 -5.642 4.315 -0.817 12 HA PRO 2 HA PRO 2 -5.557 4.729 7.615 13 1HB PRO 2 2HB PRO 2 -7.870 6.498 7.368 14 2HB PRO 2 1HB PRO 2 -6.819 6.225 8.761 15 1HG PRO 2 2HG PRO 2 -6.832 8.553 7.389 16 2HG PRO 2 1HG PRO 2 -5.371 7.913 8.162 17 1HD PRO 2 2HD PRO 2 -6.199 7.785 5.285 18 2HD PRO 2 1HD PRO 2 -4.606 8.158 5.978 19 H LYS 3 H LYS 3 -5.621 3.878 4.927 20 HA LYS 3 HA LYS 3 -8.236 2.618 4.869 21 1HB LYS 3 2HB LYS 3 -7.465 4.688 3.001 22 2HB LYS 3 1HB LYS 3 -7.766 3.174 2.179 23 1HG LYS 3 2HG LYS 3 -9.882 3.863 2.141 24 2HG LYS 3 1HG LYS 3 -9.921 3.321 3.820 25 1HD LYS 3 2HD LYS 3 -9.504 5.523 4.616 26 2HD LYS 3 1HD LYS 3 -9.156 6.112 2.990 27 1HE LYS 3 2HE LYS 3 -11.526 5.492 2.387 28 2HE LYS 3 1HE LYS 3 -11.805 5.220 4.109 29 1HZ LYS 3 1HZ LYS 3 -10.939 7.777 2.866 30 2HZ LYS 3 2HZ LYS 3 -11.173 7.524 4.526 31 3HZ LYS 3 3HZ LYS 3 -12.489 7.435 3.460 32 H ILE 4 H ILE 4 -8.320 0.786 3.620 33 HA ILE 4 HA ILE 4 -5.907 -0.070 2.223 34 HB ILE 4 HB ILE 4 -6.811 -2.408 2.607 35 1HG1 ILE 4 2HG1 ILE 4 -8.991 -1.345 3.597 36 2HG1 ILE 4 1HG1 ILE 4 -8.378 -2.867 4.202 37 1HG2 ILE 4 1HG2 ILE 4 -5.698 -0.923 4.972 38 2HG2 ILE 4 2HG2 ILE 4 -4.764 -1.601 3.637 39 3HG2 ILE 4 3HG2 ILE 4 -5.644 -2.670 4.730 40 1HD1 ILE 4 1HD1 ILE 4 -7.377 -1.730 6.107 41 2HD1 ILE 4 2HD1 ILE 4 -9.108 -1.401 6.010 42 3HD1 ILE 4 3HD1 ILE 4 -7.946 -0.182 5.483 43 H ILE 5 H ILE 5 -6.272 -0.503 0.110 44 HA ILE 5 HA ILE 5 -8.951 -0.142 -0.873 45 HB ILE 5 HB ILE 5 -7.629 -0.327 -3.089 46 1HG1 ILE 5 2HG1 ILE 5 -5.383 0.334 -1.198 47 2HG1 ILE 5 1HG1 ILE 5 -5.558 -1.191 -2.068 48 1HG2 ILE 5 1HG2 ILE 5 -7.282 2.008 -1.245 49 2HG2 ILE 5 2HG2 ILE 5 -8.664 1.714 -2.300 50 3HG2 ILE 5 3HG2 ILE 5 -7.079 2.060 -2.995 51 1HD1 ILE 5 1HD1 ILE 5 -5.357 0.029 -4.189 52 2HD1 ILE 5 2HD1 ILE 5 -3.942 0.253 -3.161 53 3HD1 ILE 5 3HD1 ILE 5 -5.151 1.532 -3.291 54 H GLU 6 H GLU 6 -10.115 -1.736 -1.879 55 HA GLU 6 HA GLU 6 -8.973 -4.414 -1.651 56 1HB GLU 6 2HB GLU 6 -11.832 -3.506 -1.974 57 2HB GLU 6 1HB GLU 6 -11.319 -5.182 -1.858 58 1HG GLU 6 2HG GLU 6 -10.302 -4.606 0.371 59 2HG GLU 6 1HG GLU 6 -11.121 -3.051 0.250 60 H ALA 7 H ALA 7 -8.876 -5.827 -3.329 61 HA ALA 7 HA ALA 7 -9.628 -4.876 -6.016 62 1HB ALA 7 1HB ALA 7 -7.249 -4.370 -5.698 63 2HB ALA 7 2HB ALA 7 -7.464 -5.661 -6.881 64 3HB ALA 7 3HB ALA 7 -6.940 -6.047 -5.242 65 H VAL 8 H VAL 8 -9.661 -6.687 -7.589 66 HA VAL 8 HA VAL 8 -10.056 -9.304 -6.344 67 HB VAL 8 HB VAL 8 -11.586 -9.747 -8.283 68 1HG1 VAL 8 1HG1 VAL 8 -12.386 -7.575 -6.353 69 2HG1 VAL 8 2HG1 VAL 8 -12.453 -9.314 -6.058 70 3HG1 VAL 8 3HG1 VAL 8 -13.499 -8.584 -7.275 71 1HG2 VAL 8 1HG2 VAL 8 -12.599 -7.822 -9.417 72 2HG2 VAL 8 2HG2 VAL 8 -10.879 -7.958 -9.771 73 3HG2 VAL 8 3HG2 VAL 8 -11.446 -6.754 -8.613 74 H TYR 9 H TYR 9 -8.783 -10.867 -7.024 75 HA TYR 9 HA TYR 9 -6.879 -10.368 -9.217 76 1HB TYR 9 2HB TYR 9 -6.092 -11.022 -6.951 77 2HB TYR 9 1HB TYR 9 -6.991 -12.523 -7.081 78 HD1 TYR 9 HD1 TYR 9 -4.105 -10.636 -8.365 79 HD2 TYR 9 HD2 TYR 9 -6.101 -14.386 -8.258 80 HE1 TYR 9 HE1 TYR 9 -2.103 -11.715 -9.278 81 HE2 TYR 9 HE2 TYR 9 -4.103 -15.482 -9.178 82 HH TYR 9 HH TYR 9 -2.097 -15.035 -10.311 83 H GLU 10 H GLU 10 -7.512 -10.953 -11.095 84 HA GLU 10 HA GLU 10 -8.567 -13.667 -11.506 85 1HB GLU 10 2HB GLU 10 -9.865 -12.762 -13.384 86 2HB GLU 10 1HB GLU 10 -10.370 -12.064 -11.859 87 1HG GLU 10 2HG GLU 10 -9.430 -9.998 -12.355 88 2HG GLU 10 1HG GLU 10 -8.386 -10.663 -13.611 89 H ASN 11 H ASN 11 -7.566 -14.786 -13.165 90 HA ASN 11 HA ASN 11 -6.171 -15.288 -14.904 91 1HB ASN 11 2HB ASN 11 -7.670 -13.421 -15.881 92 2HB ASN 11 1HB ASN 11 -6.263 -12.387 -15.701 93 1HD2 ASN 11 1HD2 ASN 11 -6.128 -12.060 -17.909 94 2HD2 ASN 11 2HD2 ASN 11 -5.566 -13.278 -19.001 95 H GLY 12 H GLY 12 -5.066 -14.110 -12.337 96 1HA GLY 12 2HA GLY 12 -2.835 -13.983 -11.631 97 2HA GLY 12 1HA GLY 12 -2.340 -13.802 -13.307 98 H VAL 13 H VAL 13 -4.926 -11.809 -12.440 99 HA VAL 13 HA VAL 13 -3.110 -9.476 -12.200 100 HB VAL 13 HB VAL 13 -5.926 -9.436 -13.197 101 1HG1 VAL 13 1HG1 VAL 13 -5.229 -7.330 -14.252 102 2HG1 VAL 13 2HG1 VAL 13 -3.641 -7.517 -13.505 103 3HG1 VAL 13 3HG1 VAL 13 -5.071 -7.322 -12.493 104 1HG2 VAL 13 1HG2 VAL 13 -5.063 -9.397 -15.511 105 2HG2 VAL 13 2HG2 VAL 13 -4.722 -10.926 -14.700 106 3HG2 VAL 13 3HG2 VAL 13 -3.441 -9.727 -14.897 107 H PHE 14 H PHE 14 -3.565 -8.018 -10.549 108 HA PHE 14 HA PHE 14 -6.037 -8.480 -9.024 109 1HB PHE 14 2HB PHE 14 -3.513 -6.962 -8.381 110 2HB PHE 14 1HB PHE 14 -4.989 -6.688 -7.489 111 HD1 PHE 14 HD1 PHE 14 -6.037 -8.724 -6.324 112 HD2 PHE 14 HD2 PHE 14 -2.018 -8.601 -7.706 113 HE1 PHE 14 HE1 PHE 14 -5.446 -10.527 -4.753 114 HE2 PHE 14 HE2 PHE 14 -1.421 -10.409 -6.148 115 HZ PHE 14 HZ PHE 14 -3.136 -11.380 -4.662 116 H LYS 15 H LYS 15 -7.684 -7.302 -9.752 117 HA LYS 15 HA LYS 15 -7.213 -4.588 -10.796 118 1HB LYS 15 2HB LYS 15 -9.616 -6.418 -10.948 119 2HB LYS 15 1HB LYS 15 -9.580 -4.782 -11.565 120 1HG LYS 15 2HG LYS 15 -7.903 -5.420 -13.199 121 2HG LYS 15 1HG LYS 15 -7.886 -7.063 -12.542 122 1HD LYS 15 2HD LYS 15 -10.275 -7.284 -13.075 123 2HD LYS 15 1HD LYS 15 -10.265 -5.663 -13.762 124 1HE LYS 15 2HE LYS 15 -8.775 -6.354 -15.509 125 2HE LYS 15 1HE LYS 15 -8.554 -7.931 -14.752 126 1HZ LYS 15 1HZ LYS 15 -10.928 -8.361 -15.098 127 2HZ LYS 15 2HZ LYS 15 -10.099 -8.123 -16.559 128 3HZ LYS 15 3HZ LYS 15 -11.078 -6.885 -15.925 129 HA PRO 16 HA PRO 16 -8.782 -3.517 -6.696 130 1HB PRO 16 2HB PRO 16 -8.868 -0.808 -7.139 131 2HB PRO 16 1HB PRO 16 -7.441 -1.684 -6.581 132 1HG PRO 16 2HG PRO 16 -8.133 -0.738 -9.324 133 2HG PRO 16 1HG PRO 16 -6.557 -0.775 -8.511 134 1HD PRO 16 2HD PRO 16 -7.281 -2.603 -10.364 135 2HD PRO 16 1HD PRO 16 -6.214 -3.004 -9.004 136 H LEU 17 H LEU 17 -10.666 -2.387 -5.893 137 HA LEU 17 HA LEU 17 -12.856 -2.252 -7.847 138 1HB LEU 17 2HB LEU 17 -12.945 -2.279 -4.821 139 2HB LEU 17 1HB LEU 17 -14.336 -2.327 -5.886 140 HG LEU 17 HG LEU 17 -12.231 -4.483 -5.667 141 1HD1 LEU 17 1HD1 LEU 17 -13.596 -4.375 -3.672 142 2HD1 LEU 17 2HD1 LEU 17 -14.029 -5.794 -4.627 143 3HD1 LEU 17 3HD1 LEU 17 -15.065 -4.365 -4.649 144 1HD2 LEU 17 1HD2 LEU 17 -14.834 -4.437 -7.189 145 2HD2 LEU 17 2HD2 LEU 17 -13.717 -5.797 -7.069 146 3HD2 LEU 17 3HD2 LEU 17 -13.225 -4.323 -7.903 147 H GLN 18 H GLN 18 -10.592 -0.473 -6.405 148 HA GLN 18 HA GLN 18 -12.153 2.025 -6.633 149 1HB GLN 18 2HB GLN 18 -9.856 1.697 -4.708 150 2HB GLN 18 1HB GLN 18 -11.095 2.945 -4.723 151 1HG GLN 18 2HG GLN 18 -12.757 1.328 -4.015 152 2HG GLN 18 1HG GLN 18 -11.551 0.045 -4.062 153 1HE2 GLN 18 1HE2 GLN 18 -11.000 3.308 -2.883 154 2HE2 GLN 18 2HE2 GLN 18 -10.730 2.858 -1.239 155 H LYS 19 H LYS 19 -11.268 3.420 -8.084 156 HA LYS 19 HA LYS 19 -8.833 2.743 -9.407 157 1HB LYS 19 2HB LYS 19 -10.709 3.808 -10.596 158 2HB LYS 19 1HB LYS 19 -10.496 5.257 -9.623 159 1HG LYS 19 2HG LYS 19 -8.210 5.474 -10.542 160 2HG LYS 19 1HG LYS 19 -8.544 4.095 -11.587 161 1HD LYS 19 2HD LYS 19 -10.423 5.342 -12.592 162 2HD LYS 19 1HD LYS 19 -10.019 6.728 -11.578 163 1HE LYS 19 2HE LYS 19 -8.237 5.476 -13.664 164 2HE LYS 19 1HE LYS 19 -9.130 6.982 -13.842 165 1HZ LYS 19 1HZ LYS 19 -6.911 7.541 -13.303 166 2HZ LYS 19 2HZ LYS 19 -6.853 6.436 -12.026 167 3HZ LYS 19 3HZ LYS 19 -7.812 7.823 -11.893 168 H VAL 20 H VAL 20 -6.861 3.507 -9.081 169 HA VAL 20 HA VAL 20 -6.496 5.613 -7.059 170 HB VAL 20 HB VAL 20 -4.504 3.418 -7.330 171 1HG1 VAL 20 1HG1 VAL 20 -3.962 4.028 -5.034 172 2HG1 VAL 20 2HG1 VAL 20 -5.275 5.203 -5.034 173 3HG1 VAL 20 3HG1 VAL 20 -3.891 5.426 -6.105 174 1HG2 VAL 20 1HG2 VAL 20 -6.919 3.309 -5.528 175 2HG2 VAL 20 2HG2 VAL 20 -5.560 2.185 -5.494 176 3HG2 VAL 20 3HG2 VAL 20 -6.611 2.258 -6.909 177 H ASP 21 H ASP 21 -5.144 7.110 -7.428 178 HA ASP 21 HA ASP 21 -3.739 7.074 -9.982 179 1HB ASP 21 2HB ASP 21 -5.076 9.032 -9.448 180 2HB ASP 21 1HB ASP 21 -4.162 9.272 -7.972 181 H LEU 22 H LEU 22 -2.330 5.601 -9.387 182 HA LEU 22 HA LEU 22 -0.108 6.542 -7.714 183 1HB LEU 22 2HB LEU 22 -1.123 3.773 -8.289 184 2HB LEU 22 1HB LEU 22 0.475 4.061 -7.655 185 HG LEU 22 HG LEU 22 -2.102 4.841 -6.303 186 1HD1 LEU 22 1HD1 LEU 22 -0.119 2.664 -5.658 187 2HD1 LEU 22 2HD1 LEU 22 -1.733 2.425 -6.326 188 3HD1 LEU 22 3HD1 LEU 22 -1.538 3.087 -4.703 189 1HD2 LEU 22 1HD2 LEU 22 -0.699 5.405 -4.397 190 2HD2 LEU 22 2HD2 LEU 22 -0.258 6.380 -5.801 191 3HD2 LEU 22 3HD2 LEU 22 0.747 5.010 -5.327 192 H LYS 23 H LYS 23 1.868 4.870 -8.497 193 HA LYS 23 HA LYS 23 2.417 5.866 -11.193 194 1HB LYS 23 2HB LYS 23 4.159 4.937 -8.922 195 2HB LYS 23 1HB LYS 23 4.792 5.195 -10.539 196 1HG LYS 23 2HG LYS 23 4.378 7.499 -10.452 197 2HG LYS 23 1HG LYS 23 3.314 7.336 -9.051 198 1HD LYS 23 2HD LYS 23 5.578 8.240 -8.535 199 2HD LYS 23 1HD LYS 23 5.149 6.796 -7.627 200 1HE LYS 23 2HE LYS 23 6.430 5.472 -9.347 201 2HE LYS 23 1HE LYS 23 6.998 7.009 -9.996 202 1HZ LYS 23 1HZ LYS 23 8.029 7.518 -7.898 203 2HZ LYS 23 2HZ LYS 23 8.570 5.998 -8.423 204 3HZ LYS 23 3HZ LYS 23 7.405 6.105 -7.197 205 H GLU 24 H GLU 24 4.177 4.312 -12.289 206 HA GLU 24 HA GLU 24 3.026 1.671 -12.425 207 1HB GLU 24 2HB GLU 24 5.187 3.097 -13.956 208 2HB GLU 24 1HB GLU 24 4.861 1.397 -14.173 209 1HG GLU 24 2HG GLU 24 3.797 2.645 -15.903 210 2HG GLU 24 1HG GLU 24 2.569 1.933 -14.865 211 H GLY 25 H GLY 25 3.985 -0.151 -11.885 212 1HA GLY 25 2HA GLY 25 4.969 -1.440 -10.282 213 2HA GLY 25 1HA GLY 25 6.451 -0.622 -10.759 214 H GLU 26 H GLU 26 3.491 0.218 -9.056 215 HA GLU 26 HA GLU 26 5.021 1.516 -6.973 216 1HB GLU 26 2HB GLU 26 2.913 2.462 -7.912 217 2HB GLU 26 1HB GLU 26 2.044 1.086 -7.252 218 1HG GLU 26 2HG GLU 26 1.847 3.040 -5.872 219 2HG GLU 26 1HG GLU 26 2.651 1.725 -5.027 220 H ARG 27 H ARG 27 5.491 0.597 -5.035 221 HA ARG 27 HA ARG 27 5.036 -2.249 -4.858 222 1HB ARG 27 2HB ARG 27 6.767 -0.344 -3.396 223 2HB ARG 27 1HB ARG 27 6.431 -1.896 -2.674 224 1HG ARG 27 2HG ARG 27 8.538 -1.896 -3.919 225 2HG ARG 27 1HG ARG 27 7.370 -3.031 -4.596 226 1HD ARG 27 2HD ARG 27 6.787 -1.351 -6.305 227 2HD ARG 27 1HD ARG 27 8.026 -0.286 -5.650 228 HE ARG 27 HE ARG 27 8.891 -2.940 -6.493 229 1HH1 ARG 27 1HH1 ARG 27 8.633 0.466 -7.261 230 2HH1 ARG 27 2HH1 ARG 27 9.818 0.394 -8.526 231 1HH2 ARG 27 1HH2 ARG 27 10.417 -3.041 -8.165 232 2HH2 ARG 27 2HH2 ARG 27 10.835 -1.599 -9.048 233 H VAL 28 H VAL 28 3.474 -3.064 -4.006 234 HA VAL 28 HA VAL 28 2.192 -1.906 -1.630 235 HB VAL 28 HB VAL 28 -0.016 -2.559 -2.504 236 1HG1 VAL 28 1HG1 VAL 28 0.754 -0.269 -2.853 237 2HG1 VAL 28 2HG1 VAL 28 -0.261 -0.809 -4.189 238 3HG1 VAL 28 3HG1 VAL 28 1.491 -0.747 -4.381 239 1HG2 VAL 28 1HG2 VAL 28 -0.264 -3.158 -4.884 240 2HG2 VAL 28 2HG2 VAL 28 0.648 -4.366 -3.975 241 3HG2 VAL 28 3HG2 VAL 28 1.491 -3.229 -5.027 242 H LYS 29 H LYS 29 0.859 -3.516 -0.461 243 HA LYS 29 HA LYS 29 1.856 -6.248 -0.848 244 1HB LYS 29 2HB LYS 29 1.177 -4.815 1.715 245 2HB LYS 29 1HB LYS 29 1.553 -6.523 1.582 246 1HG LYS 29 2HG LYS 29 3.731 -5.767 0.488 247 2HG LYS 29 1HG LYS 29 3.344 -4.178 1.146 248 1HD LYS 29 2HD LYS 29 3.212 -5.170 3.386 249 2HD LYS 29 1HD LYS 29 3.664 -6.733 2.710 250 1HE LYS 29 2HE LYS 29 5.316 -4.217 2.798 251 2HE LYS 29 1HE LYS 29 5.641 -5.751 3.608 252 1HZ LYS 29 1HZ LYS 29 7.024 -5.556 1.669 253 2HZ LYS 29 2HZ LYS 29 5.691 -5.247 0.677 254 3HZ LYS 29 3HZ LYS 29 5.877 -6.780 1.386 255 H ILE 30 H ILE 30 0.440 -7.859 -0.672 256 HA ILE 30 HA ILE 30 -2.432 -7.148 -0.674 257 HB ILE 30 HB ILE 30 -1.459 -9.769 -1.701 258 1HG1 ILE 30 2HG1 ILE 30 -0.006 -8.125 -2.857 259 2HG1 ILE 30 1HG1 ILE 30 -1.125 -8.912 -3.963 260 1HG2 ILE 30 1HG2 ILE 30 -3.420 -9.520 -3.173 261 2HG2 ILE 30 2HG2 ILE 30 -3.736 -7.948 -2.438 262 3HG2 ILE 30 3HG2 ILE 30 -3.823 -9.412 -1.458 263 1HD1 ILE 30 1HD1 ILE 30 -0.897 -6.544 -4.438 264 2HD1 ILE 30 2HD1 ILE 30 -1.446 -6.159 -2.808 265 3HD1 ILE 30 3HD1 ILE 30 -2.544 -6.941 -3.943 266 H LYS 31 H LYS 31 -3.722 -8.228 0.689 267 HA LYS 31 HA LYS 31 -2.709 -10.506 2.131 268 1HB LYS 31 2HB LYS 31 -3.401 -9.515 4.270 269 2HB LYS 31 1HB LYS 31 -2.034 -8.687 3.556 270 1HG LYS 31 2HG LYS 31 -3.529 -6.936 2.760 271 2HG LYS 31 1HG LYS 31 -4.900 -7.780 3.473 272 1HD LYS 31 2HD LYS 31 -2.516 -6.821 5.037 273 2HD LYS 31 1HD LYS 31 -4.005 -5.906 4.836 274 1HE LYS 31 2HE LYS 31 -3.926 -8.677 5.989 275 2HE LYS 31 1HE LYS 31 -3.828 -7.215 6.972 276 1HZ LYS 31 1HZ LYS 31 -6.074 -7.972 5.186 277 2HZ LYS 31 2HZ LYS 31 -5.973 -6.517 6.040 278 3HZ LYS 31 3HZ LYS 31 -6.102 -7.983 6.878 279 H LEU 32 H LEU 32 -4.386 -11.411 3.499 280 HA LEU 32 HA LEU 32 -7.036 -11.113 2.290 281 1HB LEU 32 2HB LEU 32 -5.642 -13.553 3.403 282 2HB LEU 32 1HB LEU 32 -7.338 -13.513 2.978 283 HG LEU 32 HG LEU 32 -5.170 -12.874 0.992 284 1HD1 LEU 32 1HD1 LEU 32 -4.846 -15.157 1.810 285 2HD1 LEU 32 2HD1 LEU 32 -5.395 -15.121 0.134 286 3HD1 LEU 32 3HD1 LEU 32 -6.530 -15.525 1.425 287 1HD2 LEU 32 1HD2 LEU 32 -6.942 -13.369 -0.626 288 2HD2 LEU 32 2HD2 LEU 32 -7.382 -12.040 0.446 289 3HD2 LEU 32 3HD2 LEU 32 -8.069 -13.644 0.702 290 H GLU 33 H GLU 33 -8.685 -10.705 3.684 291 HA GLU 33 HA GLU 33 -7.813 -9.417 6.021 292 1HB GLU 33 2HB GLU 33 -9.822 -8.866 4.538 293 2HB GLU 33 1HB GLU 33 -10.702 -10.029 5.519 294 1HG GLU 33 2HG GLU 33 -10.927 -7.669 6.257 295 2HG GLU 33 1HG GLU 33 -10.292 -8.759 7.492 296 H LEU 34 H LEU 34 -8.295 -9.698 8.127 297 HA LEU 34 HA LEU 34 -9.208 -12.296 9.076 298 1HB LEU 34 2HB LEU 34 -6.409 -11.250 9.350 299 2HB LEU 34 1HB LEU 34 -7.090 -12.285 10.586 300 HG LEU 34 HG LEU 34 -6.872 -13.058 7.685 301 1HD1 LEU 34 1HD1 LEU 34 -5.075 -13.795 9.992 302 2HD1 LEU 34 2HD1 LEU 34 -4.650 -12.724 8.657 303 3HD1 LEU 34 3HD1 LEU 34 -4.971 -14.431 8.348 304 1HD2 LEU 34 1HD2 LEU 34 -7.445 -14.675 10.161 305 2HD2 LEU 34 2HD2 LEU 34 -7.272 -15.314 8.528 306 3HD2 LEU 34 3HD2 LEU 34 -8.614 -14.238 8.916 307 H LYS 35 H LYS 35 -8.613 -12.174 11.652 308 HA LYS 35 HA LYS 35 -9.800 -9.650 12.553 309 1HB LYS 35 2HB LYS 35 -10.083 -12.470 13.411 310 2HB LYS 35 1HB LYS 35 -10.150 -11.249 14.659 311 1HG LYS 35 2HG LYS 35 -11.910 -11.352 12.222 312 2HG LYS 35 1HG LYS 35 -12.374 -11.847 13.852 313 1HD LYS 35 2HD LYS 35 -11.802 -9.503 14.597 314 2HD LYS 35 1HD LYS 35 -11.671 -9.081 12.889 315 1HE LYS 35 2HE LYS 35 -13.868 -8.509 13.790 316 2HE LYS 35 1HE LYS 35 -13.989 -9.742 12.535 317 1HZ LYS 35 1HZ LYS 35 -14.408 -11.400 14.102 318 2HZ LYS 35 2HZ LYS 35 -15.330 -10.083 14.654 319 3HZ LYS 35 3HZ LYS 35 -13.854 -10.459 15.401 320 H VAL 36 H VAL 36 -9.247 -9.130 14.877 321 HA VAL 36 HA VAL 36 -6.350 -9.267 15.197 322 HB VAL 36 HB VAL 36 -7.285 -7.041 15.223 323 1HG1 VAL 36 1HG1 VAL 36 -8.819 -6.285 16.967 324 2HG1 VAL 36 2HG1 VAL 36 -8.922 -7.932 17.585 325 3HG1 VAL 36 3HG1 VAL 36 -9.539 -7.554 15.977 326 1HG2 VAL 36 1HG2 VAL 36 -5.345 -7.396 16.621 327 2HG2 VAL 36 2HG2 VAL 36 -6.375 -7.892 17.964 328 3HG2 VAL 36 3HG2 VAL 36 -6.426 -6.228 17.381 329 H GLU 37 H GLU 37 -5.393 -9.994 17.062 330 HA GLU 37 HA GLU 37 -6.925 -11.962 18.510 331 1HB GLU 37 2HB GLU 37 -3.997 -11.246 18.450 332 2HB GLU 37 1HB GLU 37 -4.665 -12.495 19.477 333 1HG GLU 37 2HG GLU 37 -4.795 -12.440 16.477 334 2HG GLU 37 1HG GLU 37 -3.701 -13.427 17.445 335 HA PRO 38 HA PRO 38 -7.394 -9.286 22.051 336 1HB PRO 38 2HB PRO 38 -8.574 -11.506 23.460 337 2HB PRO 38 1HB PRO 38 -9.380 -10.099 22.766 338 1HG PRO 38 2HG PRO 38 -9.674 -12.658 21.824 339 2HG PRO 38 1HG PRO 38 -9.918 -11.202 20.841 340 1HD PRO 38 2HD PRO 38 -7.542 -13.018 20.988 341 2HD PRO 38 1HD PRO 38 -8.281 -12.240 19.573 342 H ILE 39 H ILE 39 -7.330 -10.104 24.623 343 HA ILE 39 HA ILE 39 -4.544 -10.924 24.917 344 HB ILE 39 HB ILE 39 -4.771 -9.963 27.204 345 1HG1 ILE 39 2HG1 ILE 39 -7.410 -8.943 26.146 346 2HG1 ILE 39 1HG1 ILE 39 -7.214 -10.148 27.414 347 1HG2 ILE 39 1HG2 ILE 39 -5.335 -8.099 24.911 348 2HG2 ILE 39 2HG2 ILE 39 -3.750 -8.702 25.395 349 3HG2 ILE 39 3HG2 ILE 39 -4.650 -7.629 26.467 350 1HD1 ILE 39 1HD1 ILE 39 -6.295 -7.287 27.561 351 2HD1 ILE 39 2HD1 ILE 39 -6.160 -8.491 28.842 352 3HD1 ILE 39 3HD1 ILE 39 -7.750 -7.943 28.311 353 H ASP 40 H ASP 40 -4.046 -12.104 26.976 354 HA ASP 40 HA ASP 40 -6.171 -13.789 28.024 355 1HB ASP 40 2HB ASP 40 -5.383 -15.085 26.119 356 2HB ASP 40 1HB ASP 40 -3.718 -14.926 26.663 357 H LEU 41 H LEU 41 -5.740 -14.514 30.097 358 HA LEU 41 HA LEU 41 -3.174 -13.674 31.263 359 1HB LEU 41 2HB LEU 41 -5.039 -12.158 31.886 360 2HB LEU 41 1HB LEU 41 -5.896 -13.523 32.574 361 HG LEU 41 HG LEU 41 -4.039 -13.812 34.210 362 1HD1 LEU 41 1HD1 LEU 41 -2.249 -12.782 32.930 363 2HD1 LEU 41 2HD1 LEU 41 -2.431 -11.985 34.492 364 3HD1 LEU 41 3HD1 LEU 41 -3.054 -11.217 33.030 365 1HD2 LEU 41 1HD2 LEU 41 -6.060 -12.576 34.802 366 2HD2 LEU 41 2HD2 LEU 41 -5.335 -11.088 34.193 367 3HD2 LEU 41 3HD2 LEU 41 -4.640 -11.898 35.597 368 H GLY 42 H GLY 42 -2.456 -14.946 33.083 369 1HA GLY 42 2HA GLY 42 -3.438 -17.701 32.907 370 2HA GLY 42 1HA GLY 42 -1.872 -17.207 33.538 371 H GLU 43 H GLU 43 -1.989 -18.141 35.512 372 HA GLU 43 HA GLU 43 -4.239 -17.399 37.245 373 1HB GLU 43 2HB GLU 43 -3.496 -19.410 38.573 374 2HB GLU 43 1HB GLU 43 -4.177 -19.766 36.995 375 1HG GLU 43 2HG GLU 43 -1.988 -20.143 36.084 376 2HG GLU 43 1HG GLU 43 -1.228 -19.598 37.578 377 HA PRO 44 HA PRO 44 -1.392 -15.194 39.898 378 1HB PRO 44 2HB PRO 44 -3.155 -15.981 42.121 379 2HB PRO 44 1HB PRO 44 -2.769 -14.368 41.513 380 1HG PRO 44 2HG PRO 44 -5.183 -15.472 41.141 381 2HG PRO 44 1HG PRO 44 -4.438 -14.427 39.919 382 1HD PRO 44 2HD PRO 44 -4.617 -17.420 40.000 383 2HD PRO 44 1HD PRO 44 -4.839 -16.317 38.624 384 H VAL 45 H VAL 45 -0.198 -15.583 42.017 385 HA VAL 45 HA VAL 45 1.040 -18.145 41.897 386 HB VAL 45 HB VAL 45 1.311 -16.226 44.195 387 1HG1 VAL 45 1HG1 VAL 45 3.253 -18.159 42.966 388 2HG1 VAL 45 2HG1 VAL 45 2.365 -18.391 44.470 389 3HG1 VAL 45 3HG1 VAL 45 3.567 -17.106 44.348 390 1HG2 VAL 45 1HG2 VAL 45 2.705 -16.079 41.527 391 2HG2 VAL 45 2HG2 VAL 45 3.136 -15.137 42.953 392 3HG2 VAL 45 3HG2 VAL 45 1.566 -14.905 42.188 393 H SER 46 H SER 46 1.122 -19.734 43.599 394 HA SER 46 HA SER 46 -1.302 -19.784 45.239 395 1HB SER 46 2HB SER 46 -0.981 -22.367 44.897 396 2HB SER 46 1HB SER 46 -1.816 -21.408 43.687 397 HG SER 46 HG SER 46 0.404 -22.884 43.432 398 H VAL 47 H VAL 47 -1.200 -21.232 47.072 399 HA VAL 47 HA VAL 47 1.506 -21.576 48.181 400 HB VAL 47 HB VAL 47 -0.865 -20.517 49.739 401 1HG1 VAL 47 1HG1 VAL 47 1.994 -20.980 50.570 402 2HG1 VAL 47 2HG1 VAL 47 0.578 -21.876 51.118 403 3HG1 VAL 47 3HG1 VAL 47 0.765 -20.177 51.547 404 1HG2 VAL 47 1HG2 VAL 47 1.620 -19.093 48.817 405 2HG2 VAL 47 2HG2 VAL 47 0.404 -18.426 49.907 406 3HG2 VAL 47 3HG2 VAL 47 -0.024 -18.819 48.240 407 H GLU 48 H GLU 48 1.817 -23.486 49.252 408 HA GLU 48 HA GLU 48 -0.509 -25.279 49.305 409 1HB GLU 48 2HB GLU 48 1.116 -27.144 49.188 410 2HB GLU 48 1HB GLU 48 1.170 -26.085 47.792 411 1HG GLU 48 2HG GLU 48 3.094 -25.800 50.075 412 2HG GLU 48 1HG GLU 48 3.377 -26.908 48.735 413 H GLU 49 H GLU 49 -1.160 -26.198 51.098 414 HA GLU 49 HA GLU 49 0.057 -25.476 53.612 415 1HB GLU 49 2HB GLU 49 -1.819 -26.801 54.625 416 2HB GLU 49 1HB GLU 49 -2.326 -25.465 53.604 417 1HG GLU 49 2HG GLU 49 -2.148 -28.258 52.539 418 2HG GLU 49 1HG GLU 49 -3.574 -27.681 53.400 419 H ILE 50 H ILE 50 0.175 -28.076 51.438 420 HA ILE 50 HA ILE 50 0.878 -30.197 53.152 421 HB ILE 50 HB ILE 50 1.847 -29.828 50.315 422 1HG1 ILE 50 2HG1 ILE 50 -0.774 -31.027 51.244 423 2HG1 ILE 50 1HG1 ILE 50 -0.598 -29.462 50.457 424 1HG2 ILE 50 1HG2 ILE 50 2.889 -31.674 51.480 425 2HG2 ILE 50 2HG2 ILE 50 1.774 -32.289 50.259 426 3HG2 ILE 50 3HG2 ILE 50 1.308 -32.294 51.960 427 1HD1 ILE 50 1HD1 ILE 50 0.078 -32.128 49.235 428 2HD1 ILE 50 2HD1 ILE 50 0.219 -30.559 48.445 429 3HD1 ILE 50 3HD1 ILE 50 -1.368 -31.172 48.908 430 H LYS 51 H LYS 51 2.482 -27.384 52.278 431 HA LYS 51 HA LYS 51 5.138 -28.380 52.999 432 1HB LYS 51 2HB LYS 51 4.968 -26.830 51.114 433 2HB LYS 51 1HB LYS 51 4.161 -25.646 52.127 434 1HG LYS 51 2HG LYS 51 6.245 -25.517 53.500 435 2HG LYS 51 1HG LYS 51 7.027 -26.553 52.299 436 1HD LYS 51 2HD LYS 51 5.732 -23.887 51.728 437 2HD LYS 51 1HD LYS 51 7.468 -24.166 51.886 438 1HE LYS 51 2HE LYS 51 7.569 -25.413 49.917 439 2HE LYS 51 1HE LYS 51 5.831 -25.713 49.909 440 1HZ LYS 51 1HZ LYS 51 6.939 -22.987 49.601 441 2HZ LYS 51 2HZ LYS 51 5.385 -23.548 49.209 442 3HZ LYS 51 3HZ LYS 51 6.720 -24.019 48.272 443 H LYS 52 H LYS 52 5.979 -28.064 55.028 444 HA LYS 52 HA LYS 52 4.875 -26.135 56.833 445 1HB LYS 52 2HB LYS 52 4.301 -27.925 58.453 446 2HB LYS 52 1HB LYS 52 3.243 -27.859 57.064 447 1HG LYS 52 2HG LYS 52 4.551 -29.728 56.079 448 2HG LYS 52 1HG LYS 52 5.469 -29.821 57.585 449 1HD LYS 52 2HD LYS 52 3.704 -31.467 57.609 450 2HD LYS 52 1HD LYS 52 3.358 -30.214 58.802 451 1HE LYS 52 2HE LYS 52 1.881 -29.115 57.131 452 2HE LYS 52 1HE LYS 52 2.140 -30.492 56.061 453 1HZ LYS 52 1HZ LYS 52 1.197 -31.931 57.776 454 2HZ LYS 52 2HZ LYS 52 0.092 -30.747 57.279 455 3HZ LYS 52 3HZ LYS 52 0.905 -30.580 58.759 456 H ILE 53 H ILE 53 5.745 -27.197 59.187 457 HA ILE 53 HA ILE 53 7.461 -27.643 60.542 458 HB ILE 53 HB ILE 53 8.718 -28.630 58.018 459 1HG1 ILE 53 2HG1 ILE 53 7.645 -30.044 60.467 460 2HG1 ILE 53 1HG1 ILE 53 6.843 -29.935 58.901 461 1HG2 ILE 53 1HG2 ILE 53 10.522 -27.856 59.438 462 2HG2 ILE 53 2HG2 ILE 53 10.490 -29.621 59.443 463 3HG2 ILE 53 3HG2 ILE 53 9.843 -28.720 60.817 464 1HD1 ILE 53 1HD1 ILE 53 7.885 -32.100 59.229 465 2HD1 ILE 53 2HD1 ILE 53 9.453 -31.326 59.457 466 3HD1 ILE 53 3HD1 ILE 53 8.641 -31.231 57.895 467 H ARG 54 H ARG 54 7.883 -25.726 61.290 468 HA ARG 54 HA ARG 54 10.072 -24.196 60.083 469 1HB ARG 54 2HB ARG 54 8.951 -22.140 60.860 470 2HB ARG 54 1HB ARG 54 7.966 -23.000 59.687 471 1HG ARG 54 2HG ARG 54 6.653 -23.950 61.541 472 2HG ARG 54 1HG ARG 54 7.615 -23.007 62.679 473 1HD ARG 54 2HD ARG 54 6.869 -20.946 61.473 474 2HD ARG 54 1HD ARG 54 5.780 -21.960 60.523 475 HE ARG 54 HE ARG 54 5.518 -22.173 63.412 476 1HH1 ARG 54 1HH1 ARG 54 4.309 -20.749 60.437 477 2HH1 ARG 54 2HH1 ARG 54 2.805 -20.245 61.159 478 1HH2 ARG 54 1HH2 ARG 54 3.577 -21.537 64.337 479 2HH2 ARG 54 2HH2 ARG 54 2.392 -20.689 63.395 480 H ASP 55 H ASP 55 11.568 -23.387 61.602 481 HA ASP 55 HA ASP 55 11.056 -24.268 64.363 482 1HB ASP 55 2HB ASP 55 13.322 -24.937 64.661 483 2HB ASP 55 1HB ASP 55 12.758 -25.687 63.179 484 H GLY 56 H GLY 56 11.991 -23.125 66.005 485 1HA GLY 56 2HA GLY 56 12.865 -20.378 65.325 486 2HA GLY 56 1HA GLY 56 11.842 -20.752 66.711 487 H THR 57 H THR 57 15.019 -21.158 65.315 488 HA THR 57 HA THR 57 16.151 -22.775 67.297 489 HB THR 57 HB THR 57 17.920 -20.831 65.943 490 HG1 THR 57 HG1 THR 57 16.329 -22.761 64.528 491 1HG2 THR 57 1HG2 THR 57 18.782 -22.751 67.207 492 2HG2 THR 57 2HG2 THR 57 19.225 -22.847 65.503 493 3HG2 THR 57 3HG2 THR 57 17.914 -23.845 66.131 494 H TRP 58 H TRP 58 16.522 -22.337 69.334 495 HA TRP 58 HA TRP 58 17.685 -19.805 70.132 496 1HB TRP 58 2HB TRP 58 15.174 -19.615 70.374 497 2HB TRP 58 1HB TRP 58 15.260 -20.908 71.564 498 HD1 TRP 58 HD1 TRP 58 17.291 -17.616 71.144 499 HE1 TRP 58 HE1 TRP 58 17.348 -16.425 73.428 500 HE3 TRP 58 HE3 TRP 58 14.465 -20.921 73.836 501 HZ2 TRP 58 HZ2 TRP 58 16.317 -16.841 76.024 502 HZ3 TRP 58 HZ3 TRP 58 14.045 -20.452 76.215 503 HH2 TRP 58 HH2 TRP 58 14.952 -18.451 77.284 504 H MET 59 H MET 59 18.781 -19.954 72.164 505 HA MET 59 HA MET 59 19.179 -22.676 73.166 506 1HB MET 59 2HB MET 59 21.367 -20.840 72.170 507 2HB MET 59 1HB MET 59 21.662 -22.282 73.129 508 1HG MET 59 2HG MET 59 20.673 -23.661 71.386 509 2HG MET 59 1HG MET 59 20.343 -22.220 70.426 510 1HE MET 59 1HE MET 59 22.946 -20.467 70.897 511 2HE MET 59 2HE MET 59 22.206 -20.713 69.314 512 3HE MET 59 3HE MET 59 23.936 -20.977 69.530 513 H SER 60 H SER 60 21.367 -22.025 74.860 514 HA SER 60 HA SER 60 21.819 -21.300 76.926 515 1HB SER 60 2HB SER 60 20.223 -18.884 76.093 516 2HB SER 60 1HB SER 60 21.340 -19.002 77.436 517 HG SER 60 HG SER 60 21.949 -18.281 75.038 518 H SER 61 H SER 61 19.244 -22.677 76.281 519 HA SER 61 HA SER 61 17.445 -21.805 78.377 520 1HB SER 61 2HB SER 61 17.248 -24.245 76.593 521 2HB SER 61 1HB SER 61 15.951 -23.515 77.539 522 HG SER 61 HG SER 61 16.921 -21.596 76.032 523 H LEU 62 H LEU 62 20.201 -23.002 78.864 524 HA LEU 62 HA LEU 62 19.386 -25.236 80.597 525 1HB LEU 62 2HB LEU 62 22.082 -24.679 79.351 526 2HB LEU 62 1HB LEU 62 21.733 -26.002 80.446 527 HG LEU 62 HG LEU 62 20.527 -25.640 77.699 528 1HD1 LEU 62 1HD1 LEU 62 22.884 -26.218 77.585 529 2HD1 LEU 62 2HD1 LEU 62 21.888 -27.589 77.103 530 3HD1 LEU 62 3HD1 LEU 62 22.625 -27.558 78.704 531 1HD2 LEU 62 1HD2 LEU 62 18.996 -26.759 79.218 532 2HD2 LEU 62 2HD2 LEU 62 20.270 -27.877 79.707 533 3HD2 LEU 62 3HD2 LEU 62 19.654 -27.912 78.054 534 H GLU 63 H GLU 63 20.445 -25.382 82.654 535 HA GLU 63 HA GLU 63 21.531 -22.813 83.614 536 1HB GLU 63 2HB GLU 63 19.178 -23.130 84.341 537 2HB GLU 63 1HB GLU 63 19.639 -24.638 85.118 538 1HG GLU 63 2HG GLU 63 21.061 -23.451 86.665 539 2HG GLU 63 1HG GLU 63 20.733 -21.928 85.838 540 H HIS 64 H HIS 64 23.308 -22.938 84.880 541 HA HIS 64 HA HIS 64 24.291 -25.641 85.541 542 1HB HIS 64 2HB HIS 64 25.976 -23.204 84.917 543 2HB HIS 64 1HB HIS 64 26.564 -24.833 85.224 544 HD1 HIS 64 HD1 HIS 64 24.824 -22.762 82.615 545 HD2 HIS 64 HD2 HIS 64 26.524 -26.540 83.024 546 HE1 HIS 64 HE1 HIS 64 24.968 -23.697 80.288 547 HE2 HIS 64 HE2 HIS 64 26.218 -25.862 80.543 548 H HIS 65 H HIS 65 23.586 -25.726 87.660 549 HA HIS 65 HA HIS 65 24.620 -23.604 89.422 550 1HB HIS 65 2HB HIS 65 22.098 -23.524 88.826 551 2HB HIS 65 1HB HIS 65 21.957 -24.915 89.892 552 HD1 HIS 65 HD1 HIS 65 20.370 -23.171 91.226 553 HD2 HIS 65 HD2 HIS 65 24.460 -22.404 91.284 554 HE1 HIS 65 HE1 HIS 65 20.734 -21.548 93.117 555 HE2 HIS 65 HE2 HIS 65 23.169 -20.911 92.957 556 H HIS 66 H HIS 66 25.849 -24.390 91.003 557 HA HIS 66 HA HIS 66 25.529 -27.214 91.772 558 1HB HIS 66 2HB HIS 66 27.910 -25.391 92.176 559 2HB HIS 66 1HB HIS 66 27.837 -27.094 92.607 560 HD1 HIS 66 HD1 HIS 66 28.562 -28.728 90.843 561 HD2 HIS 66 HD2 HIS 66 27.820 -24.931 89.303 562 HE1 HIS 66 HE1 HIS 66 29.284 -28.813 88.432 563 HE2 HIS 66 HE2 HIS 66 28.937 -26.470 87.554 564 H HIS 67 H HIS 67 26.583 -27.385 94.194 565 HA HIS 67 HA HIS 67 25.532 -25.201 95.849 566 1HB HIS 67 2HB HIS 67 24.785 -28.095 96.003 567 2HB HIS 67 1HB HIS 67 24.861 -27.152 97.488 568 HD1 HIS 67 HD1 HIS 67 23.032 -25.405 97.883 569 HD2 HIS 67 HD2 HIS 67 22.707 -27.380 94.237 570 HE1 HIS 67 HE1 HIS 67 20.776 -24.773 96.969 571 HE2 HIS 67 HE2 HIS 67 20.652 -25.874 94.704 572 H HIS 68 H HIS 68 28.214 -25.894 95.028 573 HA HIS 68 HA HIS 68 29.530 -25.544 97.471 574 1HB HIS 68 2HB HIS 68 29.035 -27.966 97.799 575 2HB HIS 68 1HB HIS 68 29.918 -28.324 96.321 576 HD1 HIS 68 HD1 HIS 68 32.450 -28.541 96.489 577 HD2 HIS 68 HD2 HIS 68 30.690 -27.062 99.965 578 HE1 HIS 68 HE1 HIS 68 34.256 -28.576 98.239 579 HE2 HIS 68 HE2 HIS 68 33.131 -27.821 100.366 580 H HIS 69 H HIS 69 30.835 -27.675 95.047 581 HA HIS 69 HA HIS 69 32.030 -26.186 93.158 582 1HB HIS 69 2HB HIS 69 32.969 -24.706 94.919 583 2HB HIS 69 1HB HIS 69 33.779 -26.093 95.639 584 HD1 HIS 69 HD1 HIS 69 36.180 -25.945 95.149 585 HD2 HIS 69 HD2 HIS 69 33.867 -24.721 91.916 586 HE1 HIS 69 HE1 HIS 69 37.812 -25.413 93.309 587 HE2 HIS 69 HE2 HIS 69 36.396 -24.666 91.359 588 1H MET 1 1H MET 1 -0.309 -12.954 13.345 589 2H MET 1 2H MET 1 0.879 -13.476 14.438 590 3H MET 1 3H MET 1 0.102 -14.594 13.422 591 HA MET 1 HA MET 1 1.793 -12.364 12.463 592 1HB MET 1 2HB MET 1 3.138 -13.988 13.724 593 2HB MET 1 1HB MET 1 2.461 -15.300 12.770 594 1HG MET 1 2HG MET 1 3.485 -14.365 10.756 595 2HG MET 1 1HG MET 1 4.183 -13.065 11.720 596 1HE MET 1 1HE MET 1 7.271 -15.311 10.768 597 2HE MET 1 2HE MET 1 6.562 -13.699 10.668 598 3HE MET 1 3HE MET 1 5.843 -15.036 9.770 599 HA PRO 2 HA PRO 2 -0.596 -13.833 8.905 600 1HB PRO 2 2HB PRO 2 -0.999 -11.456 7.767 601 2HB PRO 2 1HB PRO 2 -1.877 -11.926 9.226 602 1HG PRO 2 2HG PRO 2 0.437 -10.073 8.921 603 2HG PRO 2 1HG PRO 2 -0.942 -9.977 10.029 604 1HD PRO 2 2HD PRO 2 1.624 -10.948 10.639 605 2HD PRO 2 1HD PRO 2 0.166 -11.146 11.627 606 H LYS 3 H LYS 3 -0.348 -13.018 6.452 607 HA LYS 3 HA LYS 3 2.513 -12.771 5.820 608 1HB LYS 3 2HB LYS 3 0.465 -14.597 4.565 609 2HB LYS 3 1HB LYS 3 1.977 -14.186 3.770 610 1HG LYS 3 2HG LYS 3 1.820 -15.472 6.485 611 2HG LYS 3 1HG LYS 3 1.974 -16.370 4.971 612 1HD LYS 3 2HD LYS 3 4.044 -15.029 4.503 613 2HD LYS 3 1HD LYS 3 3.919 -14.388 6.143 614 1HE LYS 3 2HE LYS 3 5.479 -16.278 6.006 615 2HE LYS 3 1HE LYS 3 4.111 -16.623 7.064 616 1HZ LYS 3 1HZ LYS 3 4.220 -17.478 4.222 617 2HZ LYS 3 2HZ LYS 3 3.124 -17.983 5.415 618 3HZ LYS 3 3HZ LYS 3 4.747 -18.451 5.503 619 H ILE 4 H ILE 4 2.979 -11.686 3.851 620 HA ILE 4 HA ILE 4 0.765 -10.184 2.690 621 HB ILE 4 HB ILE 4 2.423 -8.422 2.189 622 1HG1 ILE 4 2HG1 ILE 4 4.406 -9.966 2.562 623 2HG1 ILE 4 1HG1 ILE 4 4.537 -8.326 3.128 624 1HG2 ILE 4 1HG2 ILE 4 2.419 -7.407 4.407 625 2HG2 ILE 4 2HG2 ILE 4 1.970 -8.964 5.105 626 3HG2 ILE 4 3HG2 ILE 4 0.863 -8.137 4.008 627 1HD1 ILE 4 1HD1 ILE 4 5.500 -9.880 4.716 628 2HD1 ILE 4 2HD1 ILE 4 3.950 -10.702 4.863 629 3HD1 ILE 4 3HD1 ILE 4 4.116 -9.036 5.409 630 H ILE 5 H ILE 5 0.726 -10.048 0.486 631 HA ILE 5 HA ILE 5 2.869 -11.442 -0.973 632 HB ILE 5 HB ILE 5 0.299 -10.471 -2.191 633 1HG1 ILE 5 2HG1 ILE 5 0.776 -13.185 -0.939 634 2HG1 ILE 5 1HG1 ILE 5 -0.277 -11.937 -0.281 635 1HG2 ILE 5 1HG2 ILE 5 2.105 -11.094 -3.705 636 2HG2 ILE 5 2HG2 ILE 5 0.742 -12.209 -3.837 637 3HG2 ILE 5 3HG2 ILE 5 2.190 -12.685 -2.948 638 1HD1 ILE 5 1HD1 ILE 5 -1.717 -12.105 -2.221 639 2HD1 ILE 5 2HD1 ILE 5 -1.525 -13.679 -1.448 640 3HD1 ILE 5 3HD1 ILE 5 -0.644 -13.309 -2.932 641 H GLU 6 H GLU 6 3.959 -10.356 -2.602 642 HA GLU 6 HA GLU 6 3.687 -7.447 -2.494 643 1HB GLU 6 2HB GLU 6 6.042 -9.230 -2.964 644 2HB GLU 6 1HB GLU 6 6.054 -7.593 -3.595 645 1HG GLU 6 2HG GLU 6 7.165 -7.583 -1.490 646 2HG GLU 6 1HG GLU 6 5.625 -6.764 -1.296 647 H ALA 7 H ALA 7 3.169 -6.337 -4.207 648 HA ALA 7 HA ALA 7 3.288 -7.557 -6.880 649 1HB ALA 7 1HB ALA 7 0.982 -6.806 -7.336 650 2HB ALA 7 2HB ALA 7 0.819 -6.290 -5.657 651 3HB ALA 7 3HB ALA 7 1.038 -7.998 -6.038 652 H VAL 8 H VAL 8 3.276 -5.961 -8.564 653 HA VAL 8 HA VAL 8 3.850 -3.239 -7.656 654 HB VAL 8 HB VAL 8 4.934 -3.025 -9.951 655 1HG1 VAL 8 1HG1 VAL 8 6.229 -3.083 -7.915 656 2HG1 VAL 8 2HG1 VAL 8 7.048 -4.026 -9.161 657 3HG1 VAL 8 3HG1 VAL 8 6.148 -4.842 -7.882 658 1HG2 VAL 8 1HG2 VAL 8 5.801 -5.116 -10.929 659 2HG2 VAL 8 2HG2 VAL 8 4.043 -5.001 -11.016 660 3HG2 VAL 8 3HG2 VAL 8 4.800 -6.030 -9.798 661 H TYR 9 H TYR 9 2.224 -1.935 -7.915 662 HA TYR 9 HA TYR 9 0.094 -2.285 -9.833 663 1HB TYR 9 2HB TYR 9 -0.027 -1.208 -7.524 664 2HB TYR 9 1HB TYR 9 0.846 0.158 -8.190 665 HD1 TYR 9 HD1 TYR 9 -0.357 1.962 -8.994 666 HD2 TYR 9 HD2 TYR 9 -2.256 -1.828 -8.740 667 HE1 TYR 9 HE1 TYR 9 -2.508 3.004 -9.572 668 HE2 TYR 9 HE2 TYR 9 -4.404 -0.804 -9.315 669 HH TYR 9 HH TYR 9 -5.484 1.323 -9.259 670 H GLU 10 H GLU 10 0.426 -1.989 -11.877 671 HA GLU 10 HA GLU 10 2.108 0.263 -12.737 672 1HB GLU 10 2HB GLU 10 3.181 -1.847 -13.274 673 2HB GLU 10 1HB GLU 10 1.731 -2.391 -14.099 674 1HG GLU 10 2HG GLU 10 2.001 -0.593 -15.737 675 2HG GLU 10 1HG GLU 10 3.473 -0.083 -14.914 676 H ASN 11 H ASN 11 0.959 1.775 -13.521 677 HA ASN 11 HA ASN 11 -0.446 2.973 -14.831 678 1HB ASN 11 2HB ASN 11 0.443 0.895 -16.393 679 2HB ASN 11 1HB ASN 11 -1.304 0.789 -16.573 680 1HD2 ASN 11 1HD2 ASN 11 0.567 3.752 -16.061 681 2HD2 ASN 11 2HD2 ASN 11 0.189 4.454 -17.605 682 H GLY 12 H GLY 12 -1.551 1.223 -12.597 683 1HA GLY 12 2HA GLY 12 -3.805 1.643 -11.792 684 2HA GLY 12 1HA GLY 12 -4.364 1.470 -13.450 685 H VAL 13 H VAL 13 -2.024 -0.803 -12.872 686 HA VAL 13 HA VAL 13 -4.063 -2.883 -12.260 687 HB VAL 13 HB VAL 13 -1.455 -3.399 -13.619 688 1HG1 VAL 13 1HG1 VAL 13 -2.670 -5.329 -14.549 689 2HG1 VAL 13 2HG1 VAL 13 -4.113 -4.817 -13.673 690 3HG1 VAL 13 3HG1 VAL 13 -2.673 -5.312 -12.785 691 1HG2 VAL 13 1HG2 VAL 13 -4.018 -2.590 -15.014 692 2HG2 VAL 13 2HG2 VAL 13 -2.589 -3.226 -15.825 693 3HG2 VAL 13 3HG2 VAL 13 -2.511 -1.674 -14.987 694 H PHE 14 H PHE 14 -3.555 -4.365 -10.611 695 HA PHE 14 HA PHE 14 -0.926 -4.028 -9.351 696 1HB PHE 14 2HB PHE 14 -3.409 -5.490 -8.456 697 2HB PHE 14 1HB PHE 14 -1.879 -5.619 -7.619 698 HD1 PHE 14 HD1 PHE 14 -0.854 -3.459 -6.710 699 HD2 PHE 14 HD2 PHE 14 -4.917 -3.813 -7.927 700 HE1 PHE 14 HE1 PHE 14 -1.441 -1.513 -5.325 701 HE2 PHE 14 HE2 PHE 14 -5.507 -1.862 -6.546 702 HZ PHE 14 HZ PHE 14 -3.761 -0.709 -5.234 703 H LYS 15 H LYS 15 0.648 -5.292 -10.060 704 HA LYS 15 HA LYS 15 -0.002 -8.000 -11.009 705 1HB LYS 15 2HB LYS 15 2.194 -6.094 -11.824 706 2HB LYS 15 1HB LYS 15 2.139 -7.778 -12.304 707 1HG LYS 15 2HG LYS 15 -0.011 -5.781 -12.923 708 2HG LYS 15 1HG LYS 15 1.305 -6.197 -14.017 709 1HD LYS 15 2HD LYS 15 0.555 -8.534 -14.021 710 2HD LYS 15 1HD LYS 15 -0.772 -8.105 -12.942 711 1HE LYS 15 2HE LYS 15 -1.557 -8.242 -15.239 712 2HE LYS 15 1HE LYS 15 -1.657 -6.585 -14.651 713 1HZ LYS 15 1HZ LYS 15 0.354 -6.044 -15.840 714 2HZ LYS 15 2HZ LYS 15 -0.770 -6.726 -16.911 715 3HZ LYS 15 3HZ LYS 15 0.535 -7.653 -16.351 716 HA PRO 16 HA PRO 16 2.398 -9.023 -7.311 717 1HB PRO 16 2HB PRO 16 2.293 -11.734 -7.775 718 2HB PRO 16 1HB PRO 16 1.083 -10.820 -6.871 719 1HG PRO 16 2HG PRO 16 1.031 -11.755 -9.705 720 2HG PRO 16 1HG PRO 16 -0.288 -11.670 -8.524 721 1HD PRO 16 2HD PRO 16 0.007 -9.860 -10.497 722 2HD PRO 16 1HD PRO 16 -0.649 -9.419 -8.908 723 H LEU 17 H LEU 17 4.341 -10.214 -6.932 724 HA LEU 17 HA LEU 17 6.011 -10.467 -9.348 725 1HB LEU 17 2HB LEU 17 6.803 -9.859 -6.493 726 2HB LEU 17 1HB LEU 17 7.955 -10.256 -7.750 727 HG LEU 17 HG LEU 17 6.980 -8.228 -9.011 728 1HD1 LEU 17 1HD1 LEU 17 6.052 -6.484 -7.599 729 2HD1 LEU 17 2HD1 LEU 17 6.060 -7.582 -6.220 730 3HD1 LEU 17 3HD1 LEU 17 5.018 -7.913 -7.603 731 1HD2 LEU 17 1HD2 LEU 17 9.221 -8.296 -8.074 732 2HD2 LEU 17 2HD2 LEU 17 8.587 -7.867 -6.483 733 3HD2 LEU 17 3HD2 LEU 17 8.494 -6.712 -7.815 734 H GLN 18 H GLN 18 4.597 -11.960 -6.688 735 HA GLN 18 HA GLN 18 6.215 -14.408 -7.126 736 1HB GLN 18 2HB GLN 18 5.242 -14.945 -4.742 737 2HB GLN 18 1HB GLN 18 6.660 -13.944 -4.966 738 1HG GLN 18 2HG GLN 18 5.323 -11.935 -4.728 739 2HG GLN 18 1HG GLN 18 3.876 -12.922 -4.531 740 1HE2 GLN 18 1HE2 GLN 18 5.381 -10.979 -2.808 741 2HE2 GLN 18 2HE2 GLN 18 5.568 -11.784 -1.294 742 H LYS 19 H LYS 19 3.535 -13.127 -7.933 743 HA LYS 19 HA LYS 19 1.478 -13.657 -8.606 744 1HB LYS 19 2HB LYS 19 2.894 -16.287 -8.887 745 2HB LYS 19 1HB LYS 19 1.268 -15.996 -9.454 746 1HG LYS 19 2HG LYS 19 2.023 -14.258 -10.935 747 2HG LYS 19 1HG LYS 19 3.665 -14.426 -10.317 748 1HD LYS 19 2HD LYS 19 2.191 -16.704 -11.604 749 2HD LYS 19 1HD LYS 19 3.142 -15.548 -12.535 750 1HE LYS 19 2HE LYS 19 5.114 -16.113 -11.154 751 2HE LYS 19 1HE LYS 19 4.149 -17.329 -10.317 752 1HZ LYS 19 1HZ LYS 19 4.614 -17.323 -13.249 753 2HZ LYS 19 2HZ LYS 19 3.901 -18.557 -12.326 754 3HZ LYS 19 3HZ LYS 19 5.555 -18.205 -12.145 755 H VAL 20 H VAL 20 -0.437 -15.132 -8.315 756 HA VAL 20 HA VAL 20 -0.723 -16.176 -5.595 757 HB VAL 20 HB VAL 20 -2.707 -14.160 -6.602 758 1HG1 VAL 20 1HG1 VAL 20 -2.007 -15.152 -3.846 759 2HG1 VAL 20 2HG1 VAL 20 -3.410 -15.624 -4.804 760 3HG1 VAL 20 3HG1 VAL 20 -3.258 -13.965 -4.224 761 1HG2 VAL 20 1HG2 VAL 20 -0.576 -12.972 -6.522 762 2HG2 VAL 20 2HG2 VAL 20 -0.332 -13.517 -4.862 763 3HG2 VAL 20 3HG2 VAL 20 -1.663 -12.426 -5.243 764 H ASP 21 H ASP 21 -2.472 -17.506 -5.316 765 HA ASP 21 HA ASP 21 -4.204 -17.837 -7.642 766 1HB ASP 21 2HB ASP 21 -2.522 -19.598 -7.677 767 2HB ASP 21 1HB ASP 21 -3.000 -20.081 -6.061 768 H LEU 22 H LEU 22 -5.447 -16.536 -6.412 769 HA LEU 22 HA LEU 22 -7.277 -18.177 -4.850 770 1HB LEU 22 2HB LEU 22 -7.987 -15.797 -3.941 771 2HB LEU 22 1HB LEU 22 -6.795 -16.796 -3.154 772 HG LEU 22 HG LEU 22 -5.076 -15.434 -4.528 773 1HD1 LEU 22 1HD1 LEU 22 -6.703 -14.320 -5.981 774 2HD1 LEU 22 2HD1 LEU 22 -5.749 -13.165 -5.050 775 3HD1 LEU 22 3HD1 LEU 22 -7.408 -13.529 -4.572 776 1HD2 LEU 22 1HD2 LEU 22 -5.288 -15.349 -2.111 777 2HD2 LEU 22 2HD2 LEU 22 -6.621 -14.204 -2.252 778 3HD2 LEU 22 3HD2 LEU 22 -5.000 -13.736 -2.766 779 H LYS 23 H LYS 23 -8.839 -18.632 -6.116 780 HA LYS 23 HA LYS 23 -10.062 -18.747 -8.033 781 1HB LYS 23 2HB LYS 23 -11.129 -16.315 -6.613 782 2HB LYS 23 1HB LYS 23 -11.986 -17.269 -7.801 783 1HG LYS 23 2HG LYS 23 -11.954 -19.198 -6.339 784 2HG LYS 23 1HG LYS 23 -11.030 -18.281 -5.143 785 1HD LYS 23 2HD LYS 23 -12.867 -16.690 -4.938 786 2HD LYS 23 1HD LYS 23 -13.788 -17.597 -6.139 787 1HE LYS 23 2HE LYS 23 -13.791 -19.549 -4.653 788 2HE LYS 23 1HE LYS 23 -12.884 -18.629 -3.451 789 1HZ LYS 23 1HZ LYS 23 -14.698 -17.121 -3.198 790 2HZ LYS 23 2HZ LYS 23 -15.314 -18.696 -3.034 791 3HZ LYS 23 3HZ LYS 23 -15.552 -17.832 -4.475 792 H GLU 24 H GLU 24 -11.433 -17.026 -9.529 793 HA GLU 24 HA GLU 24 -9.600 -14.933 -10.425 794 1HB GLU 24 2HB GLU 24 -11.635 -15.171 -12.321 795 2HB GLU 24 1HB GLU 24 -9.975 -15.698 -12.478 796 1HG GLU 24 2HG GLU 24 -11.399 -17.476 -13.116 797 2HG GLU 24 1HG GLU 24 -10.613 -17.905 -11.603 798 H GLY 25 H GLY 25 -10.210 -12.943 -10.280 799 1HA GLY 25 2HA GLY 25 -11.125 -11.245 -9.068 800 2HA GLY 25 1HA GLY 25 -12.672 -11.859 -9.632 801 H GLU 26 H GLU 26 -10.154 -12.969 -7.412 802 HA GLU 26 HA GLU 26 -12.181 -13.319 -5.340 803 1HB GLU 26 2HB GLU 26 -9.963 -14.791 -5.994 804 2HB GLU 26 1HB GLU 26 -9.342 -13.799 -4.684 805 1HG GLU 26 2HG GLU 26 -11.738 -15.597 -4.570 806 2HG GLU 26 1HG GLU 26 -10.149 -15.911 -3.900 807 H ARG 27 H ARG 27 -12.007 -12.196 -3.304 808 HA ARG 27 HA ARG 27 -11.087 -9.474 -3.864 809 1HB ARG 27 2HB ARG 27 -13.456 -9.842 -3.375 810 2HB ARG 27 1HB ARG 27 -13.028 -10.453 -1.790 811 1HG ARG 27 2HG ARG 27 -12.328 -8.329 -1.051 812 2HG ARG 27 1HG ARG 27 -12.339 -7.673 -2.693 813 1HD ARG 27 2HD ARG 27 -14.728 -7.821 -2.804 814 2HD ARG 27 1HD ARG 27 -14.795 -8.694 -1.273 815 HE ARG 27 HE ARG 27 -13.658 -6.417 -0.490 816 1HH1 ARG 27 1HH1 ARG 27 -16.380 -6.909 -2.653 817 2HH1 ARG 27 2HH1 ARG 27 -17.181 -5.449 -2.165 818 1HH2 ARG 27 1HH2 ARG 27 -14.714 -4.495 0.133 819 2HH2 ARG 27 2HH2 ARG 27 -16.243 -4.078 -0.593 820 H VAL 28 H VAL 28 -9.545 -8.565 -2.901 821 HA VAL 28 HA VAL 28 -8.402 -9.704 -0.432 822 HB VAL 28 HB VAL 28 -6.140 -9.399 -1.346 823 1HG1 VAL 28 1HG1 VAL 28 -7.176 -11.590 -1.569 824 2HG1 VAL 28 2HG1 VAL 28 -6.143 -11.248 -2.957 825 3HG1 VAL 28 3HG1 VAL 28 -7.895 -11.111 -3.107 826 1HG2 VAL 28 1HG2 VAL 28 -7.583 -8.646 -3.888 827 2HG2 VAL 28 2HG2 VAL 28 -5.852 -8.967 -3.767 828 3HG2 VAL 28 3HG2 VAL 28 -6.556 -7.602 -2.902 829 H LYS 29 H LYS 29 -6.586 -8.157 0.392 830 HA LYS 29 HA LYS 29 -7.545 -5.389 0.140 831 1HB LYS 29 2HB LYS 29 -6.407 -6.932 2.432 832 2HB LYS 29 1HB LYS 29 -6.209 -5.201 2.372 833 1HG LYS 29 2HG LYS 29 -8.103 -5.876 3.749 834 2HG LYS 29 1HG LYS 29 -8.583 -4.868 2.390 835 1HD LYS 29 2HD LYS 29 -9.402 -6.789 1.192 836 2HD LYS 29 1HD LYS 29 -8.781 -7.871 2.440 837 1HE LYS 29 2HE LYS 29 -10.351 -7.066 4.033 838 2HE LYS 29 1HE LYS 29 -10.830 -5.732 2.986 839 1HZ LYS 29 1HZ LYS 29 -12.412 -7.640 3.070 840 2HZ LYS 29 2HZ LYS 29 -11.243 -8.583 2.271 841 3HZ LYS 29 3HZ LYS 29 -11.897 -7.210 1.511 842 H ILE 30 H ILE 30 -6.093 -3.836 -0.242 843 HA ILE 30 HA ILE 30 -3.292 -4.667 -0.707 844 HB ILE 30 HB ILE 30 -4.438 -2.269 -2.062 845 1HG1 ILE 30 2HG1 ILE 30 -6.009 -4.132 -2.594 846 2HG1 ILE 30 1HG1 ILE 30 -5.135 -3.547 -4.003 847 1HG2 ILE 30 1HG2 ILE 30 -2.296 -4.241 -2.831 848 2HG2 ILE 30 2HG2 ILE 30 -2.043 -2.652 -2.109 849 3HG2 ILE 30 3HG2 ILE 30 -2.729 -2.784 -3.727 850 1HD1 ILE 30 1HD1 ILE 30 -3.618 -5.442 -3.857 851 2HD1 ILE 30 2HD1 ILE 30 -5.299 -5.959 -4.013 852 3HD1 ILE 30 3HD1 ILE 30 -4.495 -6.032 -2.443 853 H LYS 31 H LYS 31 -1.740 -3.393 0.101 854 HA LYS 31 HA LYS 31 -2.439 -0.857 1.357 855 1HB LYS 31 2HB LYS 31 -2.660 -2.629 3.087 856 2HB LYS 31 1HB LYS 31 -0.986 -3.071 2.813 857 1HG LYS 31 2HG LYS 31 -1.026 -1.731 4.742 858 2HG LYS 31 1HG LYS 31 -0.370 -0.720 3.459 859 1HD LYS 31 2HD LYS 31 -2.508 0.379 3.190 860 2HD LYS 31 1HD LYS 31 -3.246 -0.700 4.377 861 1HE LYS 31 2HE LYS 31 -1.693 0.179 6.086 862 2HE LYS 31 1HE LYS 31 -1.056 1.307 4.891 863 1HZ LYS 31 1HZ LYS 31 -3.858 1.211 5.878 864 2HZ LYS 31 2HZ LYS 31 -3.276 2.272 4.698 865 3HZ LYS 31 3HZ LYS 31 -2.696 2.378 6.284 866 H LEU 32 H LEU 32 -0.972 0.599 0.791 867 HA LEU 32 HA LEU 32 1.361 0.044 -0.660 868 1HB LEU 32 2HB LEU 32 0.552 2.469 0.953 869 2HB LEU 32 1HB LEU 32 1.945 2.425 -0.110 870 HG LEU 32 HG LEU 32 -0.792 1.785 -1.157 871 1HD1 LEU 32 1HD1 LEU 32 -1.046 4.104 -1.826 872 2HD1 LEU 32 2HD1 LEU 32 0.431 4.530 -0.958 873 3HD1 LEU 32 3HD1 LEU 32 -0.982 3.956 -0.070 874 1HD2 LEU 32 1HD2 LEU 32 1.715 2.882 -2.415 875 2HD2 LEU 32 2HD2 LEU 32 0.199 2.565 -3.254 876 3HD2 LEU 32 3HD2 LEU 32 1.113 1.230 -2.553 877 H GLU 33 H GLU 33 3.503 -0.215 -0.034 878 HA GLU 33 HA GLU 33 3.758 -1.655 2.359 879 1HB GLU 33 2HB GLU 33 5.148 -2.080 0.404 880 2HB GLU 33 1HB GLU 33 5.956 -0.539 0.635 881 1HG GLU 33 2HG GLU 33 6.770 -1.333 2.824 882 2HG GLU 33 1HG GLU 33 6.029 -2.901 2.497 883 H LEU 34 H LEU 34 4.691 -1.327 4.230 884 HA LEU 34 HA LEU 34 5.782 1.290 4.935 885 1HB LEU 34 2HB LEU 34 3.642 -0.220 6.437 886 2HB LEU 34 1HB LEU 34 4.619 1.024 7.179 887 HG LEU 34 HG LEU 34 3.534 2.165 4.843 888 1HD1 LEU 34 1HD1 LEU 34 1.447 0.733 6.481 889 2HD1 LEU 34 2HD1 LEU 34 1.897 0.348 4.819 890 3HD1 LEU 34 3HD1 LEU 34 1.141 1.897 5.194 891 1HD2 LEU 34 1HD2 LEU 34 4.081 3.349 6.896 892 2HD2 LEU 34 2HD2 LEU 34 2.791 2.498 7.746 893 3HD2 LEU 34 3HD2 LEU 34 2.399 3.625 6.447 894 H LYS 35 H LYS 35 6.974 1.123 7.100 895 HA LYS 35 HA LYS 35 8.072 -1.574 7.459 896 1HB LYS 35 2HB LYS 35 9.433 1.051 7.163 897 2HB LYS 35 1HB LYS 35 10.103 -0.093 8.294 898 1HG LYS 35 2HG LYS 35 11.280 -0.460 6.325 899 2HG LYS 35 1HG LYS 35 10.095 -1.762 6.381 900 1HD LYS 35 2HD LYS 35 8.719 -0.689 4.761 901 2HD LYS 35 1HD LYS 35 9.661 0.801 4.859 902 1HE LYS 35 2HE LYS 35 11.626 -0.462 4.000 903 2HE LYS 35 1HE LYS 35 10.571 -1.855 3.766 904 1HZ LYS 35 1HZ LYS 35 9.378 -0.769 2.102 905 2HZ LYS 35 2HZ LYS 35 10.986 -0.339 1.781 906 3HZ LYS 35 3HZ LYS 35 9.952 0.764 2.547 907 H VAL 36 H VAL 36 9.137 -1.829 9.595 908 HA VAL 36 HA VAL 36 7.772 -0.278 11.699 909 HB VAL 36 HB VAL 36 9.200 -2.894 12.111 910 1HG1 VAL 36 1HG1 VAL 36 7.857 -3.005 14.152 911 2HG1 VAL 36 2HG1 VAL 36 7.143 -1.440 13.757 912 3HG1 VAL 36 3HG1 VAL 36 8.869 -1.564 14.104 913 1HG2 VAL 36 1HG2 VAL 36 7.438 -3.334 10.517 914 2HG2 VAL 36 2HG2 VAL 36 6.271 -2.494 11.537 915 3HG2 VAL 36 3HG2 VAL 36 7.001 -4.001 12.091 916 H GLU 37 H GLU 37 9.017 0.968 12.972 917 HA GLU 37 HA GLU 37 11.888 0.931 12.340 918 1HB GLU 37 2HB GLU 37 10.467 2.906 11.585 919 2HB GLU 37 1HB GLU 37 10.330 3.328 13.287 920 1HG GLU 37 2HG GLU 37 12.761 3.490 13.434 921 2HG GLU 37 1HG GLU 37 12.883 3.096 11.721 922 HA PRO 38 HA PRO 38 12.343 0.385 16.773 923 1HB PRO 38 2HB PRO 38 14.837 -0.575 16.705 924 2HB PRO 38 1HB PRO 38 13.472 -1.558 16.165 925 1HG PRO 38 2HG PRO 38 15.503 -0.087 14.552 926 2HG PRO 38 1HG PRO 38 14.739 -1.654 14.239 927 1HD PRO 38 2HD PRO 38 13.989 0.785 13.096 928 2HD PRO 38 1HD PRO 38 13.010 -0.691 13.126 929 H ILE 39 H ILE 39 14.390 0.992 18.220 930 HA ILE 39 HA ILE 39 15.086 3.735 17.492 931 HB ILE 39 HB ILE 39 15.732 3.782 20.022 932 1HG1 ILE 39 2HG1 ILE 39 14.024 2.384 21.317 933 2HG1 ILE 39 1HG1 ILE 39 13.870 1.418 19.858 934 1HG2 ILE 39 1HG2 ILE 39 12.892 3.810 19.035 935 2HG2 ILE 39 2HG2 ILE 39 14.027 5.159 19.037 936 3HG2 ILE 39 3HG2 ILE 39 13.439 4.501 20.564 937 1HD1 ILE 39 1HD1 ILE 39 16.375 1.823 21.476 938 2HD1 ILE 39 2HD1 ILE 39 16.263 0.888 19.986 939 3HD1 ILE 39 3HD1 ILE 39 15.379 0.367 21.420 940 H ASP 40 H ASP 40 17.193 4.534 17.863 941 HA ASP 40 HA ASP 40 19.291 2.501 18.214 942 1HB ASP 40 2HB ASP 40 19.082 2.897 15.811 943 2HB ASP 40 1HB ASP 40 19.222 4.632 16.062 944 H LEU 41 H LEU 41 20.132 3.109 20.115 945 HA LEU 41 HA LEU 41 20.963 5.912 20.425 946 1HB LEU 41 2HB LEU 41 18.844 5.601 21.623 947 2HB LEU 41 1HB LEU 41 19.536 4.259 22.513 948 HG LEU 41 HG LEU 41 21.196 5.861 23.495 949 1HD1 LEU 41 1HD1 LEU 41 21.072 7.598 21.789 950 2HD1 LEU 41 2HD1 LEU 41 20.687 8.245 23.384 951 3HD1 LEU 41 3HD1 LEU 41 19.393 7.920 22.230 952 1HD2 LEU 41 1HD2 LEU 41 19.622 6.814 25.091 953 2HD2 LEU 41 2HD2 LEU 41 19.206 5.141 24.713 954 3HD2 LEU 41 3HD2 LEU 41 18.287 6.463 23.994 955 H GLY 42 H GLY 42 22.909 6.193 21.401 956 1HA GLY 42 2HA GLY 42 24.249 3.772 22.416 957 2HA GLY 42 1HA GLY 42 25.085 4.999 21.476 958 H GLU 43 H GLU 43 24.465 3.914 24.485 959 HA GLU 43 HA GLU 43 24.572 6.492 25.818 960 1HB GLU 43 2HB GLU 43 24.330 3.684 26.877 961 2HB GLU 43 1HB GLU 43 24.305 5.128 27.872 962 1HG GLU 43 2HG GLU 43 22.317 5.894 26.574 963 2HG GLU 43 1HG GLU 43 22.307 4.321 25.780 964 HA PRO 44 HA PRO 44 28.811 6.860 26.820 965 1HB PRO 44 2HB PRO 44 28.117 6.467 29.696 966 2HB PRO 44 1HB PRO 44 29.078 7.740 28.933 967 1HG PRO 44 2HG PRO 44 26.581 8.222 29.692 968 2HG PRO 44 1HG PRO 44 27.199 8.873 28.161 969 1HD PRO 44 2HD PRO 44 25.347 6.585 28.642 970 2HD PRO 44 1HD PRO 44 25.373 7.761 27.312 971 H VAL 45 H VAL 45 30.567 5.637 26.949 972 HA VAL 45 HA VAL 45 30.353 2.813 27.415 973 HB VAL 45 HB VAL 45 32.914 4.385 27.056 974 1HG1 VAL 45 1HG1 VAL 45 33.218 2.046 27.628 975 2HG1 VAL 45 2HG1 VAL 45 33.697 2.332 25.954 976 3HG1 VAL 45 3HG1 VAL 45 32.149 1.565 26.309 977 1HG2 VAL 45 1HG2 VAL 45 31.375 5.101 25.313 978 2HG2 VAL 45 2HG2 VAL 45 31.048 3.420 24.891 979 3HG2 VAL 45 3HG2 VAL 45 32.656 4.095 24.636 980 H SER 46 H SER 46 31.974 1.714 28.925 981 HA SER 46 HA SER 46 31.632 2.831 31.548 982 1HB SER 46 2HB SER 46 33.211 0.354 30.863 983 2HB SER 46 1HB SER 46 32.351 0.731 32.352 984 HG SER 46 HG SER 46 31.370 -0.167 29.895 985 H VAL 47 H VAL 47 33.425 2.870 33.100 986 HA VAL 47 HA VAL 47 35.932 3.826 31.868 987 HB VAL 47 HB VAL 47 34.519 5.595 32.987 988 1HG1 VAL 47 1HG1 VAL 47 34.500 5.694 35.434 989 2HG1 VAL 47 2HG1 VAL 47 35.242 4.097 35.500 990 3HG1 VAL 47 3HG1 VAL 47 33.626 4.287 34.824 991 1HG2 VAL 47 1HG2 VAL 47 36.902 5.933 32.657 992 2HG2 VAL 47 2HG2 VAL 47 37.245 5.106 34.177 993 3HG2 VAL 47 3HG2 VAL 47 36.380 6.642 34.187 994 H GLU 48 H GLU 48 37.839 3.580 33.375 995 HA GLU 48 HA GLU 48 38.159 0.902 34.170 996 1HB GLU 48 2HB GLU 48 39.818 3.174 35.216 997 2HB GLU 48 1HB GLU 48 40.317 1.522 34.911 998 1HG GLU 48 2HG GLU 48 40.340 1.846 32.578 999 2HG GLU 48 1HG GLU 48 39.473 3.377 32.710 1000 H GLU 49 H GLU 49 37.141 0.012 35.832 1001 HA GLU 49 HA GLU 49 36.349 1.606 38.125 1002 1HB GLU 49 2HB GLU 49 34.781 -0.024 37.116 1003 2HB GLU 49 1HB GLU 49 35.884 -1.323 37.551 1004 1HG GLU 49 2HG GLU 49 35.562 -0.876 39.894 1005 2HG GLU 49 1HG GLU 49 34.566 0.530 39.519 1006 H ILE 50 H ILE 50 38.686 -0.758 37.239 1007 HA ILE 50 HA ILE 50 39.503 -1.231 40.000 1008 HB ILE 50 HB ILE 50 40.854 -2.356 37.546 1009 1HG1 ILE 50 2HG1 ILE 50 38.446 -3.493 38.993 1010 2HG1 ILE 50 1HG1 ILE 50 38.423 -2.798 37.378 1011 1HG2 ILE 50 1HG2 ILE 50 42.001 -2.669 39.681 1012 2HG2 ILE 50 2HG2 ILE 50 41.397 -4.207 39.063 1013 3HG2 ILE 50 3HG2 ILE 50 40.541 -3.387 40.369 1014 1HD1 ILE 50 1HD1 ILE 50 38.428 -5.234 37.323 1015 2HD1 ILE 50 2HD1 ILE 50 39.958 -5.249 38.199 1016 3HD1 ILE 50 3HD1 ILE 50 39.882 -4.568 36.574 1017 H LYS 51 H LYS 51 39.888 1.310 38.240 1018 HA LYS 51 HA LYS 51 42.766 1.571 38.166 1019 1HB LYS 51 2HB LYS 51 41.118 2.646 36.539 1020 2HB LYS 51 1HB LYS 51 40.734 3.776 37.824 1021 1HG LYS 51 2HG LYS 51 42.313 4.791 36.333 1022 2HG LYS 51 1HG LYS 51 43.123 4.453 37.866 1023 1HD LYS 51 2HD LYS 51 44.238 2.565 36.956 1024 2HD LYS 51 1HD LYS 51 43.239 2.589 35.505 1025 1HE LYS 51 2HE LYS 51 45.205 4.740 36.289 1026 2HE LYS 51 1HE LYS 51 45.522 3.453 35.126 1027 1HZ LYS 51 1HZ LYS 51 43.487 4.331 33.910 1028 2HZ LYS 51 2HZ LYS 51 44.894 5.274 33.848 1029 3HZ LYS 51 3HZ LYS 51 43.628 5.714 34.887 1030 H LYS 52 H LYS 52 44.004 2.481 39.682 1031 HA LYS 52 HA LYS 52 42.948 4.209 41.719 1032 1HB LYS 52 2HB LYS 52 42.343 1.965 42.556 1033 2HB LYS 52 1HB LYS 52 44.033 1.490 42.476 1034 1HG LYS 52 2HG LYS 52 44.622 3.022 44.209 1035 2HG LYS 52 1HG LYS 52 43.015 3.754 44.174 1036 1HD LYS 52 2HD LYS 52 42.052 1.606 44.869 1037 2HD LYS 52 1HD LYS 52 43.676 0.926 44.973 1038 1HE LYS 52 2HE LYS 52 44.274 2.479 46.715 1039 2HE LYS 52 1HE LYS 52 42.735 3.321 46.548 1040 1HZ LYS 52 1HZ LYS 52 42.834 1.786 48.458 1041 2HZ LYS 52 2HZ LYS 52 42.997 0.479 47.387 1042 3HZ LYS 52 3HZ LYS 52 41.584 1.417 47.374 1043 H ILE 53 H ILE 53 44.562 5.328 42.819 1044 HA ILE 53 HA ILE 53 47.131 5.386 41.503 1045 HB ILE 53 HB ILE 53 46.141 6.971 43.882 1046 1HG1 ILE 53 2HG1 ILE 53 46.287 7.779 40.972 1047 2HG1 ILE 53 1HG1 ILE 53 44.814 7.296 41.799 1048 1HG2 ILE 53 1HG2 ILE 53 48.570 6.919 43.760 1049 2HG2 ILE 53 2HG2 ILE 53 47.962 8.520 43.346 1050 3HG2 ILE 53 3HG2 ILE 53 48.513 7.432 42.073 1051 1HD1 ILE 53 1HD1 ILE 53 46.510 9.681 42.473 1052 2HD1 ILE 53 2HD1 ILE 53 45.038 9.192 43.316 1053 3HD1 ILE 53 3HD1 ILE 53 44.964 9.700 41.628 1054 H ARG 54 H ARG 54 48.709 4.025 42.072 1055 HA ARG 54 HA ARG 54 48.856 3.201 44.888 1056 1HB ARG 54 2HB ARG 54 50.199 1.262 44.044 1057 2HB ARG 54 1HB ARG 54 48.519 1.272 43.539 1058 1HG ARG 54 2HG ARG 54 49.245 2.203 41.354 1059 2HG ARG 54 1HG ARG 54 50.919 2.007 41.877 1060 1HD ARG 54 2HD ARG 54 48.859 -0.172 41.552 1061 2HD ARG 54 1HD ARG 54 50.261 0.114 40.523 1062 HE ARG 54 HE ARG 54 51.580 -0.340 42.667 1063 1HH1 ARG 54 1HH1 ARG 54 48.528 -1.860 41.876 1064 2HH1 ARG 54 2HH1 ARG 54 48.827 -3.279 42.831 1065 1HH2 ARG 54 1HH2 ARG 54 52.004 -2.205 43.912 1066 2HH2 ARG 54 2HH2 ARG 54 50.821 -3.483 44.000 1067 H ASP 55 H ASP 55 50.119 4.691 45.801 1068 HA ASP 55 HA ASP 55 52.851 4.975 44.762 1069 1HB ASP 55 2HB ASP 55 52.852 7.341 45.155 1070 2HB ASP 55 1HB ASP 55 51.440 6.977 44.176 1071 H GLY 56 H GLY 56 54.360 5.787 46.392 1072 1HA GLY 56 2HA GLY 56 54.853 6.293 48.688 1073 2HA GLY 56 1HA GLY 56 53.473 5.313 49.160 1074 H THR 57 H THR 57 56.367 5.270 49.873 1075 HA THR 57 HA THR 57 56.540 2.418 50.036 1076 HB THR 57 HB THR 57 57.613 2.870 47.822 1077 HG1 THR 57 HG1 THR 57 58.544 1.088 48.479 1078 1HG2 THR 57 1HG2 THR 57 58.589 5.056 48.264 1079 2HG2 THR 57 2HG2 THR 57 59.844 3.912 47.787 1080 3HG2 THR 57 3HG2 THR 57 59.653 4.352 49.484 1081 H TRP 58 H TRP 58 58.334 1.794 51.509 1082 HA TRP 58 HA TRP 58 59.104 4.029 53.260 1083 1HB TRP 58 2HB TRP 58 57.065 2.471 53.962 1084 2HB TRP 58 1HB TRP 58 58.363 1.413 54.500 1085 HD1 TRP 58 HD1 TRP 58 60.299 3.016 56.088 1086 HE1 TRP 58 HE1 TRP 58 59.677 4.499 58.100 1087 HE3 TRP 58 HE3 TRP 58 55.326 3.686 55.081 1088 HZ2 TRP 58 HZ2 TRP 58 57.381 5.776 59.116 1089 HZ3 TRP 58 HZ3 TRP 58 53.995 5.060 56.628 1090 HH2 TRP 58 HH2 TRP 58 54.999 6.080 58.601 1091 H MET 59 H MET 59 61.035 3.783 54.345 1092 HA MET 59 HA MET 59 62.816 1.750 53.233 1093 1HB MET 59 2HB MET 59 63.415 4.216 54.874 1094 2HB MET 59 1HB MET 59 64.624 3.119 54.226 1095 1HG MET 59 2HG MET 59 63.903 3.670 51.957 1096 2HG MET 59 1HG MET 59 62.705 4.784 52.611 1097 1HE MET 59 1HE MET 59 65.294 7.232 51.052 1098 2HE MET 59 2HE MET 59 63.600 6.749 51.136 1099 3HE MET 59 3HE MET 59 64.792 5.666 50.417 1100 H SER 60 H SER 60 64.608 1.106 54.960 1101 HA SER 60 HA SER 60 63.331 0.621 57.559 1102 1HB SER 60 2HB SER 60 63.117 -1.413 56.131 1103 2HB SER 60 1HB SER 60 64.873 -1.496 56.035 1104 HG SER 60 HG SER 60 63.183 -2.277 58.023 1105 H SER 61 H SER 61 64.585 1.283 59.143 1106 HA SER 61 HA SER 61 67.366 1.922 58.527 1107 1HB SER 61 2HB SER 61 65.693 2.674 60.931 1108 2HB SER 61 1HB SER 61 67.303 3.295 60.559 1109 HG SER 61 HG SER 61 66.265 3.992 58.493 1110 H LEU 62 H LEU 62 65.629 -0.527 59.840 1111 HA LEU 62 HA LEU 62 66.097 -2.419 60.990 1112 1HB LEU 62 2HB LEU 62 67.876 -2.276 59.129 1113 2HB LEU 62 1HB LEU 62 68.994 -1.918 60.426 1114 HG LEU 62 HG LEU 62 67.292 -4.396 60.424 1115 1HD1 LEU 62 1HD1 LEU 62 70.061 -4.047 59.283 1116 2HD1 LEU 62 2HD1 LEU 62 68.592 -4.371 58.363 1117 3HD1 LEU 62 3HD1 LEU 62 69.214 -5.582 59.485 1118 1HD2 LEU 62 1HD2 LEU 62 68.309 -3.774 62.561 1119 2HD2 LEU 62 2HD2 LEU 62 69.895 -3.711 61.792 1120 3HD2 LEU 62 3HD2 LEU 62 69.035 -5.246 61.914 1121 H GLU 63 H GLU 63 65.645 -2.193 63.103 1122 HA GLU 63 HA GLU 63 67.294 -0.639 64.855 1123 1HB GLU 63 2HB GLU 63 64.967 -2.486 65.341 1124 2HB GLU 63 1HB GLU 63 65.842 -1.708 66.651 1125 1HG GLU 63 2HG GLU 63 65.320 0.488 65.542 1126 2HG GLU 63 1HG GLU 63 64.227 -0.407 64.484 1127 H HIS 64 H HIS 64 69.184 -1.283 65.547 1128 HA HIS 64 HA HIS 64 69.716 -4.137 65.934 1129 1HB HIS 64 2HB HIS 64 71.365 -2.934 64.592 1130 2HB HIS 64 1HB HIS 64 71.574 -1.744 65.869 1131 HD1 HIS 64 HD1 HIS 64 72.115 -5.469 65.313 1132 HD2 HIS 64 HD2 HIS 64 73.635 -2.300 67.543 1133 HE1 HIS 64 HE1 HIS 64 74.122 -6.386 66.524 1134 HE2 HIS 64 HE2 HIS 64 75.155 -4.392 67.670 1135 H HIS 65 H HIS 65 69.227 -4.867 67.895 1136 HA HIS 65 HA HIS 65 69.868 -3.152 70.206 1137 1HB HIS 65 2HB HIS 65 67.278 -4.117 69.411 1138 2HB HIS 65 1HB HIS 65 67.729 -4.836 70.954 1139 HD1 HIS 65 HD1 HIS 65 65.811 -2.181 69.878 1140 HD2 HIS 65 HD2 HIS 65 68.961 -2.444 72.590 1141 HE1 HIS 65 HE1 HIS 65 65.610 -0.154 71.358 1142 HE2 HIS 65 HE2 HIS 65 67.364 -0.481 73.141 1143 H HIS 66 H HIS 66 71.374 -4.066 71.382 1144 HA HIS 66 HA HIS 66 71.127 -6.802 72.259 1145 1HB HIS 66 2HB HIS 66 72.563 -6.395 69.910 1146 2HB HIS 66 1HB HIS 66 73.809 -6.473 71.151 1147 HD1 HIS 66 HD1 HIS 66 71.474 -8.602 72.570 1148 HD2 HIS 66 HD2 HIS 66 73.865 -8.935 69.181 1149 HE1 HIS 66 HE1 HIS 66 71.653 -11.060 72.105 1150 HE2 HIS 66 HE2 HIS 66 72.894 -11.215 69.919 1151 H HIS 67 H HIS 67 70.962 -5.459 74.203 1152 HA HIS 67 HA HIS 67 73.465 -4.194 75.054 1153 1HB HIS 67 2HB HIS 67 71.191 -3.056 75.271 1154 2HB HIS 67 1HB HIS 67 70.835 -4.222 76.538 1155 HD1 HIS 67 HD1 HIS 67 71.795 -3.772 78.846 1156 HD2 HIS 67 HD2 HIS 67 73.238 -1.184 75.922 1157 HE1 HIS 67 HE1 HIS 67 73.022 -1.962 80.084 1158 HE2 HIS 67 HE2 HIS 67 73.650 -0.282 78.312 1159 H HIS 68 H HIS 68 74.779 -5.895 75.609 1160 HA HIS 68 HA HIS 68 73.784 -8.087 77.206 1161 1HB HIS 68 2HB HIS 68 75.482 -8.468 75.455 1162 2HB HIS 68 1HB HIS 68 76.603 -7.426 76.321 1163 HD1 HIS 68 HD1 HIS 68 77.531 -8.369 78.629 1164 HD2 HIS 68 HD2 HIS 68 75.427 -11.092 76.295 1165 HE1 HIS 68 HE1 HIS 68 78.109 -10.632 79.551 1166 HE2 HIS 68 HE2 HIS 68 77.013 -12.265 77.975 1167 H HIS 69 H HIS 69 73.824 -8.216 79.358 1168 HA HIS 69 HA HIS 69 75.694 -6.483 80.826 1169 1HB HIS 69 2HB HIS 69 73.348 -5.752 81.149 1170 2HB HIS 69 1HB HIS 69 72.938 -7.359 81.740 1171 HD1 HIS 69 HD1 HIS 69 73.171 -7.717 84.201 1172 HD2 HIS 69 HD2 HIS 69 75.283 -4.389 82.875 1173 HE1 HIS 69 HE1 HIS 69 74.053 -6.602 86.273 1174 HE2 HIS 69 HE2 HIS 69 75.126 -4.473 85.458 Start of MODEL 5 1 1H MET 1 1H MET 1 -2.065 8.928 6.829 2 2H MET 1 2H MET 1 -2.411 10.373 6.010 3 3H MET 1 3H MET 1 -1.943 8.993 5.139 4 HA MET 1 HA MET 1 -4.436 9.296 6.713 5 1HB MET 1 2HB MET 1 -4.485 10.580 4.619 6 2HB MET 1 1HB MET 1 -3.982 9.155 3.718 7 1HG MET 1 2HG MET 1 -6.070 8.020 4.430 8 2HG MET 1 1HG MET 1 -6.579 9.520 5.199 9 1HE MET 1 1HE MET 1 -5.618 11.749 3.163 10 2HE MET 1 2HE MET 1 -7.231 11.720 3.884 11 3HE MET 1 3HE MET 1 -7.047 11.911 2.142 12 HA PRO 2 HA PRO 2 -3.781 4.801 6.707 13 1HB PRO 2 2HB PRO 2 -5.926 4.813 8.691 14 2HB PRO 2 1HB PRO 2 -4.247 4.295 8.873 15 1HG PRO 2 2HG PRO 2 -5.234 6.521 10.062 16 2HG PRO 2 1HG PRO 2 -3.543 6.374 9.549 17 1HD PRO 2 2HD PRO 2 -5.820 7.784 8.208 18 2HD PRO 2 1HD PRO 2 -4.127 8.293 8.388 19 H LYS 3 H LYS 3 -4.681 3.914 4.956 20 HA LYS 3 HA LYS 3 -7.523 3.445 4.871 21 1HB LYS 3 2HB LYS 3 -7.372 5.664 3.859 22 2HB LYS 3 1HB LYS 3 -6.170 5.083 2.721 23 1HG LYS 3 2HG LYS 3 -7.884 3.537 1.801 24 2HG LYS 3 1HG LYS 3 -9.067 4.289 2.873 25 1HD LYS 3 2HD LYS 3 -8.580 6.473 1.824 26 2HD LYS 3 1HD LYS 3 -7.483 5.664 0.705 27 1HE LYS 3 2HE LYS 3 -9.363 4.287 -0.101 28 2HE LYS 3 1HE LYS 3 -10.446 5.173 0.975 29 1HZ LYS 3 1HZ LYS 3 -10.634 6.160 -1.143 30 2HZ LYS 3 2HZ LYS 3 -8.954 6.218 -1.367 31 3HZ LYS 3 3HZ LYS 3 -9.693 7.233 -0.222 32 H ILE 4 H ILE 4 -8.067 1.746 3.531 33 HA ILE 4 HA ILE 4 -5.867 0.410 2.143 34 HB ILE 4 HB ILE 4 -7.198 -1.651 2.359 35 1HG1 ILE 4 2HG1 ILE 4 -9.362 -0.360 2.872 36 2HG1 ILE 4 1HG1 ILE 4 -9.069 -1.875 3.685 37 1HG2 ILE 4 1HG2 ILE 4 -6.628 -2.108 4.697 38 2HG2 ILE 4 2HG2 ILE 4 -6.326 -0.386 4.933 39 3HG2 ILE 4 3HG2 ILE 4 -5.329 -1.312 3.813 40 1HD1 ILE 4 1HD1 ILE 4 -8.613 0.833 4.892 41 2HD1 ILE 4 2HD1 ILE 4 -8.378 -0.718 5.693 42 3HD1 ILE 4 3HD1 ILE 4 -9.996 -0.216 5.199 43 H ILE 5 H ILE 5 -6.208 -0.245 0.067 44 HA ILE 5 HA ILE 5 -8.748 0.562 -1.181 45 HB ILE 5 HB ILE 5 -6.328 -0.542 -2.609 46 1HG1 ILE 5 2HG1 ILE 5 -6.926 2.378 -2.077 47 2HG1 ILE 5 1HG1 ILE 5 -5.672 1.449 -1.259 48 1HG2 ILE 5 1HG2 ILE 5 -7.267 0.716 -4.519 49 2HG2 ILE 5 2HG2 ILE 5 -8.636 1.179 -3.508 50 3HG2 ILE 5 3HG2 ILE 5 -8.368 -0.518 -3.906 51 1HD1 ILE 5 1HD1 ILE 5 -4.530 1.115 -3.383 52 2HD1 ILE 5 2HD1 ILE 5 -4.756 2.834 -3.042 53 3HD1 ILE 5 3HD1 ILE 5 -5.797 2.021 -4.209 54 H GLU 6 H GLU 6 -9.884 -1.061 -2.470 55 HA GLU 6 HA GLU 6 -9.226 -3.797 -1.652 56 1HB GLU 6 2HB GLU 6 -11.914 -2.714 -2.497 57 2HB GLU 6 1HB GLU 6 -11.578 -4.341 -1.954 58 1HG GLU 6 2HG GLU 6 -12.360 -3.519 -0.008 59 2HG GLU 6 1HG GLU 6 -10.688 -3.015 0.167 60 H ALA 7 H ALA 7 -9.205 -5.413 -3.206 61 HA ALA 7 HA ALA 7 -9.619 -4.652 -6.005 62 1HB ALA 7 1HB ALA 7 -7.263 -4.164 -5.561 63 2HB ALA 7 2HB ALA 7 -7.430 -5.535 -6.656 64 3HB ALA 7 3HB ALA 7 -7.023 -5.807 -4.962 65 H VAL 8 H VAL 8 -9.695 -6.530 -7.418 66 HA VAL 8 HA VAL 8 -10.076 -9.084 -6.050 67 HB VAL 8 HB VAL 8 -11.618 -9.609 -7.983 68 1HG1 VAL 8 1HG1 VAL 8 -13.538 -8.484 -6.961 69 2HG1 VAL 8 2HG1 VAL 8 -12.435 -7.438 -6.067 70 3HG1 VAL 8 3HG1 VAL 8 -12.454 -9.174 -5.752 71 1HG2 VAL 8 1HG2 VAL 8 -11.584 -6.622 -8.338 72 2HG2 VAL 8 2HG2 VAL 8 -12.679 -7.748 -9.141 73 3HG2 VAL 8 3HG2 VAL 8 -10.949 -7.804 -9.480 74 H TYR 9 H TYR 9 -8.487 -10.394 -6.503 75 HA TYR 9 HA TYR 9 -6.728 -10.127 -8.778 76 1HB TYR 9 2HB TYR 9 -6.073 -10.965 -6.496 77 2HB TYR 9 1HB TYR 9 -7.020 -12.412 -6.794 78 HD1 TYR 9 HD1 TYR 9 -6.098 -14.229 -8.027 79 HD2 TYR 9 HD2 TYR 9 -4.052 -10.504 -7.892 80 HE1 TYR 9 HE1 TYR 9 -4.103 -15.288 -9.005 81 HE2 TYR 9 HE2 TYR 9 -2.066 -11.544 -8.871 82 HH TYR 9 HH TYR 9 -2.097 -14.755 -10.152 83 H GLU 10 H GLU 10 -7.423 -10.663 -10.770 84 HA GLU 10 HA GLU 10 -8.604 -13.326 -11.068 85 1HB GLU 10 2HB GLU 10 -9.096 -12.713 -13.397 86 2HB GLU 10 1HB GLU 10 -9.950 -11.685 -12.271 87 1HG GLU 10 2HG GLU 10 -8.599 -9.855 -12.746 88 2HG GLU 10 1HG GLU 10 -7.347 -10.857 -13.480 89 H ASN 11 H ASN 11 -7.363 -14.836 -12.278 90 HA ASN 11 HA ASN 11 -4.896 -14.272 -11.016 91 1HB ASN 11 2HB ASN 11 -4.355 -16.516 -11.144 92 2HB ASN 11 1HB ASN 11 -5.989 -16.254 -10.599 93 1HD2 ASN 11 1HD2 ASN 11 -6.884 -15.790 -13.427 94 2HD2 ASN 11 2HD2 ASN 11 -6.973 -17.356 -14.144 95 H GLY 12 H GLY 12 -4.740 -12.727 -12.924 96 1HA GLY 12 2HA GLY 12 -1.983 -13.662 -13.300 97 2HA GLY 12 1HA GLY 12 -2.752 -12.724 -14.587 98 H VAL 13 H VAL 13 -4.161 -11.776 -11.658 99 HA VAL 13 HA VAL 13 -2.496 -9.382 -11.524 100 HB VAL 13 HB VAL 13 -4.047 -7.887 -12.680 101 1HG1 VAL 13 1HG1 VAL 13 -3.722 -8.616 -14.998 102 2HG1 VAL 13 2HG1 VAL 13 -3.350 -10.248 -14.423 103 3HG1 VAL 13 3HG1 VAL 13 -2.262 -8.907 -14.042 104 1HG2 VAL 13 1HG2 VAL 13 -5.580 -10.416 -13.208 105 2HG2 VAL 13 2HG2 VAL 13 -5.876 -8.888 -14.053 106 3HG2 VAL 13 3HG2 VAL 13 -6.117 -8.995 -12.307 107 H PHE 14 H PHE 14 -3.162 -7.969 -9.923 108 HA PHE 14 HA PHE 14 -5.709 -8.524 -8.583 109 1HB PHE 14 2HB PHE 14 -3.313 -6.846 -7.838 110 2HB PHE 14 1HB PHE 14 -4.840 -6.700 -6.994 111 HD1 PHE 14 HD1 PHE 14 -5.752 -8.697 -5.802 112 HD2 PHE 14 HD2 PHE 14 -1.773 -8.537 -7.290 113 HE1 PHE 14 HE1 PHE 14 -5.118 -10.512 -4.274 114 HE2 PHE 14 HE2 PHE 14 -1.130 -10.365 -5.768 115 HZ PHE 14 HZ PHE 14 -2.809 -11.355 -4.243 116 H LYS 15 H LYS 15 -7.402 -7.428 -9.323 117 HA LYS 15 HA LYS 15 -6.984 -4.833 -10.651 118 1HB LYS 15 2HB LYS 15 -9.111 -6.945 -10.901 119 2HB LYS 15 1HB LYS 15 -9.340 -5.319 -11.518 120 1HG LYS 15 2HG LYS 15 -7.644 -5.574 -13.108 121 2HG LYS 15 1HG LYS 15 -7.016 -7.022 -12.317 122 1HD LYS 15 2HD LYS 15 -8.313 -7.525 -14.363 123 2HD LYS 15 1HD LYS 15 -8.994 -8.262 -12.912 124 1HE LYS 15 2HE LYS 15 -10.875 -7.408 -13.945 125 2HE LYS 15 1HE LYS 15 -10.454 -6.112 -12.829 126 1HZ LYS 15 1HZ LYS 15 -9.861 -6.221 -15.732 127 2HZ LYS 15 2HZ LYS 15 -9.285 -5.014 -14.695 128 3HZ LYS 15 3HZ LYS 15 -10.958 -5.187 -14.956 129 HA PRO 16 HA PRO 16 -8.783 -3.254 -6.806 130 1HB PRO 16 2HB PRO 16 -9.183 -0.743 -7.947 131 2HB PRO 16 1HB PRO 16 -7.800 -1.242 -6.977 132 1HG PRO 16 2HG PRO 16 -8.069 -1.015 -9.930 133 2HG PRO 16 1HG PRO 16 -6.639 -0.782 -8.908 134 1HD PRO 16 2HD PRO 16 -6.982 -2.976 -10.421 135 2HD PRO 16 1HD PRO 16 -6.163 -3.037 -8.847 136 H LEU 17 H LEU 17 -10.574 -2.451 -6.158 137 HA LEU 17 HA LEU 17 -12.946 -2.432 -7.815 138 1HB LEU 17 2HB LEU 17 -12.572 -1.984 -4.843 139 2HB LEU 17 1HB LEU 17 -14.118 -2.034 -5.670 140 HG LEU 17 HG LEU 17 -12.192 -4.346 -5.399 141 1HD1 LEU 17 1HD1 LEU 17 -13.927 -5.309 -3.968 142 2HD1 LEU 17 2HD1 LEU 17 -14.859 -3.819 -4.107 143 3HD1 LEU 17 3HD1 LEU 17 -13.290 -3.804 -3.302 144 1HD2 LEU 17 1HD2 LEU 17 -13.421 -4.445 -7.500 145 2HD2 LEU 17 2HD2 LEU 17 -14.940 -4.213 -6.634 146 3HD2 LEU 17 3HD2 LEU 17 -13.996 -5.680 -6.380 147 H GLN 18 H GLN 18 -11.319 -0.528 -5.418 148 HA GLN 18 HA GLN 18 -12.661 1.931 -6.071 149 1HB GLN 18 2HB GLN 18 -10.011 1.578 -4.660 150 2HB GLN 18 1HB GLN 18 -10.972 3.043 -4.695 151 1HG GLN 18 2HG GLN 18 -12.769 1.809 -3.493 152 2HG GLN 18 1HG GLN 18 -11.651 0.452 -3.336 153 1HE2 GLN 18 1HE2 GLN 18 -11.535 0.541 -1.114 154 2HE2 GLN 18 2HE2 GLN 18 -10.739 1.827 -0.275 155 H LYS 19 H LYS 19 -12.114 3.455 -7.569 156 HA LYS 19 HA LYS 19 -10.400 2.654 -9.663 157 1HB LYS 19 2HB LYS 19 -11.632 5.362 -9.141 158 2HB LYS 19 1HB LYS 19 -10.891 4.844 -10.653 159 1HG LYS 19 2HG LYS 19 -12.553 3.001 -10.764 160 2HG LYS 19 1HG LYS 19 -13.344 3.702 -9.357 161 1HD LYS 19 2HD LYS 19 -13.502 5.844 -10.702 162 2HD LYS 19 1HD LYS 19 -13.037 4.879 -12.103 163 1HE LYS 19 2HE LYS 19 -15.474 4.503 -10.363 164 2HE LYS 19 1HE LYS 19 -15.442 5.044 -12.038 165 1HZ LYS 19 1HZ LYS 19 -14.563 2.862 -12.669 166 2HZ LYS 19 2HZ LYS 19 -16.066 2.726 -11.899 167 3HZ LYS 19 3HZ LYS 19 -14.649 2.351 -11.055 168 H VAL 20 H VAL 20 -8.455 3.416 -10.317 169 HA VAL 20 HA VAL 20 -6.832 4.233 -8.007 170 HB VAL 20 HB VAL 20 -6.318 2.027 -8.573 171 1HG1 VAL 20 1HG1 VAL 20 -7.328 1.905 -10.773 172 2HG1 VAL 20 2HG1 VAL 20 -5.684 1.270 -10.823 173 3HG1 VAL 20 3HG1 VAL 20 -6.025 2.888 -11.438 174 1HG2 VAL 20 1HG2 VAL 20 -4.366 3.418 -8.131 175 2HG2 VAL 20 2HG2 VAL 20 -4.175 3.661 -9.870 176 3HG2 VAL 20 3HG2 VAL 20 -4.002 2.049 -9.179 177 H ASP 21 H ASP 21 -5.155 5.545 -8.186 178 HA ASP 21 HA ASP 21 -4.807 7.084 -10.662 179 1HB ASP 21 2HB ASP 21 -6.319 8.259 -9.070 180 2HB ASP 21 1HB ASP 21 -5.037 8.240 -7.874 181 H LEU 22 H LEU 22 -3.475 4.985 -8.879 182 HA LEU 22 HA LEU 22 -1.070 6.153 -7.893 183 1HB LEU 22 2HB LEU 22 -1.840 3.294 -8.448 184 2HB LEU 22 1HB LEU 22 -0.345 3.772 -7.682 185 HG LEU 22 HG LEU 22 -3.112 4.260 -6.581 186 1HD1 LEU 22 1HD1 LEU 22 -2.444 1.916 -6.490 187 2HD1 LEU 22 2HD1 LEU 22 -2.467 2.633 -4.878 188 3HD1 LEU 22 3HD1 LEU 22 -0.932 2.370 -5.707 189 1HD2 LEU 22 1HD2 LEU 22 -0.398 4.830 -5.392 190 2HD2 LEU 22 2HD2 LEU 22 -1.950 5.033 -4.575 191 3HD2 LEU 22 3HD2 LEU 22 -1.546 6.034 -5.970 192 H LYS 23 H LYS 23 1.025 4.690 -8.670 193 HA LYS 23 HA LYS 23 1.271 5.272 -11.534 194 1HB LYS 23 2HB LYS 23 3.682 5.924 -10.848 195 2HB LYS 23 1HB LYS 23 2.383 7.080 -10.602 196 1HG LYS 23 2HG LYS 23 2.256 6.455 -8.257 197 2HG LYS 23 1HG LYS 23 3.520 5.249 -8.499 198 1HD LYS 23 2HD LYS 23 5.125 6.965 -9.024 199 2HD LYS 23 1HD LYS 23 3.873 8.207 -8.972 200 1HE LYS 23 2HE LYS 23 5.279 8.110 -6.925 201 2HE LYS 23 1HE LYS 23 3.558 7.880 -6.618 202 1HZ LYS 23 1HZ LYS 23 3.876 5.552 -6.365 203 2HZ LYS 23 2HZ LYS 23 5.054 6.314 -5.417 204 3HZ LYS 23 3HZ LYS 23 5.482 5.636 -6.909 205 H GLU 24 H GLU 24 3.251 4.246 -12.508 206 HA GLU 24 HA GLU 24 3.119 1.465 -12.059 207 1HB GLU 24 2HB GLU 24 4.828 3.243 -13.772 208 2HB GLU 24 1HB GLU 24 5.156 1.530 -13.658 209 1HG GLU 24 2HG GLU 24 3.836 2.060 -15.629 210 2HG GLU 24 1HG GLU 24 2.950 1.016 -14.521 211 H GLY 25 H GLY 25 4.584 0.055 -11.356 212 1HA GLY 25 2HA GLY 25 5.808 -0.766 -9.616 213 2HA GLY 25 1HA GLY 25 6.955 0.510 -9.997 214 H GLU 26 H GLU 26 3.719 0.298 -8.643 215 HA GLU 26 HA GLU 26 4.559 1.948 -6.387 216 1HB GLU 26 2HB GLU 26 2.546 2.518 -7.786 217 2HB GLU 26 1HB GLU 26 1.805 1.025 -7.236 218 1HG GLU 26 2HG GLU 26 0.936 2.741 -5.948 219 2HG GLU 26 1HG GLU 26 2.056 1.868 -4.913 220 H ARG 27 H ARG 27 4.906 0.978 -4.427 221 HA ARG 27 HA ARG 27 4.585 -1.913 -4.425 222 1HB ARG 27 2HB ARG 27 6.299 -0.099 -2.847 223 2HB ARG 27 1HB ARG 27 5.932 -1.686 -2.212 224 1HG ARG 27 2HG ARG 27 7.831 -2.172 -3.349 225 2HG ARG 27 1HG ARG 27 6.649 -2.434 -4.632 226 1HD ARG 27 2HD ARG 27 8.027 -1.087 -5.785 227 2HD ARG 27 1HD ARG 27 7.123 0.187 -4.969 228 HE ARG 27 HE ARG 27 9.186 -0.508 -3.267 229 1HH1 ARG 27 1HH1 ARG 27 8.889 0.845 -6.480 230 2HH1 ARG 27 2HH1 ARG 27 10.387 1.720 -6.393 231 1HH2 ARG 27 1HH2 ARG 27 11.151 0.642 -3.140 232 2HH2 ARG 27 2HH2 ARG 27 11.687 1.574 -4.506 233 H VAL 28 H VAL 28 3.006 -2.735 -3.726 234 HA VAL 28 HA VAL 28 1.609 -1.679 -1.354 235 HB VAL 28 HB VAL 28 -0.510 -2.529 -2.320 236 1HG1 VAL 28 1HG1 VAL 28 0.079 -0.176 -2.586 237 2HG1 VAL 28 2HG1 VAL 28 -0.812 -0.768 -3.990 238 3HG1 VAL 28 3HG1 VAL 28 0.937 -0.555 -4.082 239 1HG2 VAL 28 1HG2 VAL 28 -0.619 -3.136 -4.686 240 2HG2 VAL 28 2HG2 VAL 28 0.429 -4.241 -3.795 241 3HG2 VAL 28 3HG2 VAL 28 1.133 -2.982 -4.811 242 H LYS 29 H LYS 29 0.760 -3.195 0.069 243 HA LYS 29 HA LYS 29 1.721 -5.936 -0.299 244 1HB LYS 29 2HB LYS 29 0.801 -4.431 2.135 245 2HB LYS 29 1HB LYS 29 1.119 -6.150 2.130 246 1HG LYS 29 2HG LYS 29 3.137 -4.014 1.500 247 2HG LYS 29 1HG LYS 29 2.976 -4.869 3.028 248 1HD LYS 29 2HD LYS 29 3.357 -6.998 1.835 249 2HD LYS 29 1HD LYS 29 3.677 -6.068 0.368 250 1HE LYS 29 2HE LYS 29 5.194 -5.850 2.962 251 2HE LYS 29 1HE LYS 29 5.740 -6.704 1.519 252 1HZ LYS 29 1HZ LYS 29 5.310 -3.786 1.827 253 2HZ LYS 29 2HZ LYS 29 5.574 -4.533 0.330 254 3HZ LYS 29 3HZ LYS 29 6.772 -4.590 1.527 255 H ILE 30 H ILE 30 0.310 -7.554 -0.425 256 HA ILE 30 HA ILE 30 -2.539 -6.881 -0.521 257 HB ILE 30 HB ILE 30 -1.353 -9.587 -1.013 258 1HG1 ILE 30 2HG1 ILE 30 -0.274 -8.014 -2.566 259 2HG1 ILE 30 1HG1 ILE 30 -1.375 -9.082 -3.424 260 1HG2 ILE 30 1HG2 ILE 30 -3.733 -9.547 -0.615 261 2HG2 ILE 30 2HG2 ILE 30 -3.410 -9.938 -2.306 262 3HG2 ILE 30 3HG2 ILE 30 -3.941 -8.316 -1.860 263 1HD1 ILE 30 1HD1 ILE 30 -3.052 -7.307 -3.485 264 2HD1 ILE 30 2HD1 ILE 30 -1.541 -6.816 -4.253 265 3HD1 ILE 30 3HD1 ILE 30 -1.938 -6.235 -2.635 266 H LYS 31 H LYS 31 -3.869 -7.490 0.981 267 HA LYS 31 HA LYS 31 -2.856 -9.058 3.225 268 1HB LYS 31 2HB LYS 31 -2.959 -6.269 3.228 269 2HB LYS 31 1HB LYS 31 -4.372 -6.763 4.141 270 1HG LYS 31 2HG LYS 31 -3.118 -7.773 5.798 271 2HG LYS 31 1HG LYS 31 -1.703 -7.955 4.757 272 1HD LYS 31 2HD LYS 31 -1.451 -5.497 4.762 273 2HD LYS 31 1HD LYS 31 -2.780 -5.384 5.914 274 1HE LYS 31 2HE LYS 31 -1.534 -6.627 7.550 275 2HE LYS 31 1HE LYS 31 -0.250 -6.955 6.388 276 1HZ LYS 31 1HZ LYS 31 -0.996 -4.248 7.374 277 2HZ LYS 31 2HZ LYS 31 0.294 -4.617 6.331 278 3HZ LYS 31 3HZ LYS 31 0.313 -5.161 7.932 279 H LEU 32 H LEU 32 -4.293 -10.291 4.131 280 HA LEU 32 HA LEU 32 -7.041 -10.184 3.141 281 1HB LEU 32 2HB LEU 32 -5.471 -12.442 4.404 282 2HB LEU 32 1HB LEU 32 -7.134 -12.550 3.862 283 HG LEU 32 HG LEU 32 -4.800 -11.923 2.053 284 1HD1 LEU 32 1HD1 LEU 32 -4.676 -14.217 2.904 285 2HD1 LEU 32 2HD1 LEU 32 -5.019 -14.154 1.175 286 3HD1 LEU 32 3HD1 LEU 32 -6.315 -14.509 2.322 287 1HD2 LEU 32 1HD2 LEU 32 -6.897 -10.988 1.277 288 2HD2 LEU 32 2HD2 LEU 32 -7.680 -12.556 1.447 289 3HD2 LEU 32 3HD2 LEU 32 -6.403 -12.334 0.253 290 H GLU 33 H GLU 33 -8.687 -9.847 4.550 291 HA GLU 33 HA GLU 33 -7.873 -8.346 6.798 292 1HB GLU 33 2HB GLU 33 -10.366 -8.041 7.094 293 2HB GLU 33 1HB GLU 33 -9.656 -7.464 5.604 294 1HG GLU 33 2HG GLU 33 -10.419 -9.586 4.525 295 2HG GLU 33 1HG GLU 33 -11.272 -9.965 6.020 296 H LEU 34 H LEU 34 -7.965 -8.646 8.873 297 HA LEU 34 HA LEU 34 -9.335 -10.987 9.989 298 1HB LEU 34 2HB LEU 34 -6.711 -9.799 10.912 299 2HB LEU 34 1HB LEU 34 -7.604 -11.033 11.766 300 HG LEU 34 HG LEU 34 -7.296 -12.284 9.409 301 1HD1 LEU 34 1HD1 LEU 34 -6.056 -10.476 8.379 302 2HD1 LEU 34 2HD1 LEU 34 -5.013 -11.882 8.605 303 3HD1 LEU 34 3HD1 LEU 34 -4.884 -10.502 9.698 304 1HD2 LEU 34 1HD2 LEU 34 -5.250 -12.162 11.620 305 2HD2 LEU 34 2HD2 LEU 34 -5.420 -13.459 10.435 306 3HD2 LEU 34 3HD2 LEU 34 -6.705 -13.158 11.607 307 H LYS 35 H LYS 35 -9.243 -10.427 12.632 308 HA LYS 35 HA LYS 35 -10.370 -7.733 12.835 309 1HB LYS 35 2HB LYS 35 -11.013 -10.265 14.335 310 2HB LYS 35 1HB LYS 35 -11.596 -8.685 14.802 311 1HG LYS 35 2HG LYS 35 -12.616 -8.492 12.517 312 2HG LYS 35 1HG LYS 35 -12.221 -10.198 12.293 313 1HD LYS 35 2HD LYS 35 -13.545 -10.725 14.316 314 2HD LYS 35 1HD LYS 35 -13.994 -9.021 14.432 315 1HE LYS 35 2HE LYS 35 -14.971 -9.199 12.149 316 2HE LYS 35 1HE LYS 35 -14.652 -10.932 12.196 317 1HZ LYS 35 1HZ LYS 35 -16.870 -10.665 12.858 318 2HZ LYS 35 2HZ LYS 35 -16.511 -9.373 13.891 319 3HZ LYS 35 3HZ LYS 35 -16.022 -10.946 14.300 320 H VAL 36 H VAL 36 -10.175 -6.789 15.068 321 HA VAL 36 HA VAL 36 -7.397 -6.848 15.822 322 HB VAL 36 HB VAL 36 -8.638 -4.729 15.648 323 1HG1 VAL 36 1HG1 VAL 36 -10.148 -5.735 18.048 324 2HG1 VAL 36 2HG1 VAL 36 -10.807 -5.394 16.446 325 3HG1 VAL 36 3HG1 VAL 36 -10.190 -4.079 17.448 326 1HG2 VAL 36 1HG2 VAL 36 -6.633 -4.789 17.015 327 2HG2 VAL 36 2HG2 VAL 36 -7.581 -5.307 18.412 328 3HG2 VAL 36 3HG2 VAL 36 -7.823 -3.698 17.727 329 H GLU 37 H GLU 37 -6.645 -7.132 17.980 330 HA GLU 37 HA GLU 37 -7.835 -9.409 19.267 331 1HB GLU 37 2HB GLU 37 -5.800 -9.277 20.676 332 2HB GLU 37 1HB GLU 37 -5.436 -9.352 18.964 333 1HG GLU 37 2HG GLU 37 -4.953 -7.007 18.908 334 2HG GLU 37 1HG GLU 37 -5.523 -6.803 20.562 335 HA PRO 38 HA PRO 38 -9.640 -7.200 22.726 336 1HB PRO 38 2HB PRO 38 -9.378 -9.014 24.710 337 2HB PRO 38 1HB PRO 38 -10.526 -9.223 23.382 338 1HG PRO 38 2HG PRO 38 -7.815 -10.440 23.749 339 2HG PRO 38 1HG PRO 38 -9.314 -11.196 23.180 340 1HD PRO 38 2HD PRO 38 -7.339 -10.364 21.504 341 2HD PRO 38 1HD PRO 38 -9.054 -10.404 21.045 342 H ILE 39 H ILE 39 -9.104 -6.756 25.158 343 HA ILE 39 HA ILE 39 -6.535 -5.478 25.146 344 HB ILE 39 HB ILE 39 -7.259 -4.594 27.347 345 1HG1 ILE 39 2HG1 ILE 39 -9.804 -6.119 26.769 346 2HG1 ILE 39 1HG1 ILE 39 -8.640 -6.522 28.026 347 1HG2 ILE 39 1HG2 ILE 39 -7.729 -3.388 25.294 348 2HG2 ILE 39 2HG2 ILE 39 -9.033 -3.170 26.463 349 3HG2 ILE 39 3HG2 ILE 39 -9.240 -4.280 25.105 350 1HD1 ILE 39 1HD1 ILE 39 -10.589 -5.361 28.920 351 2HD1 ILE 39 2HD1 ILE 39 -10.239 -3.973 27.887 352 3HD1 ILE 39 3HD1 ILE 39 -9.110 -4.433 29.162 353 H ASP 40 H ASP 40 -5.355 -5.478 27.335 354 HA ASP 40 HA ASP 40 -4.157 -7.973 27.710 355 1HB ASP 40 2HB ASP 40 -4.031 -5.331 29.117 356 2HB ASP 40 1HB ASP 40 -3.245 -6.726 29.821 357 H LEU 41 H LEU 41 -4.842 -9.661 28.791 358 HA LEU 41 HA LEU 41 -6.335 -9.258 31.289 359 1HB LEU 41 2HB LEU 41 -6.930 -11.278 29.123 360 2HB LEU 41 1HB LEU 41 -7.591 -11.369 30.744 361 HG LEU 41 HG LEU 41 -8.072 -9.089 28.819 362 1HD1 LEU 41 1HD1 LEU 41 -10.332 -10.013 28.636 363 2HD1 LEU 41 2HD1 LEU 41 -9.841 -11.393 29.622 364 3HD1 LEU 41 3HD1 LEU 41 -9.112 -11.138 28.036 365 1HD2 LEU 41 1HD2 LEU 41 -9.772 -8.404 30.426 366 2HD2 LEU 41 2HD2 LEU 41 -8.178 -8.441 31.182 367 3HD2 LEU 41 3HD2 LEU 41 -9.329 -9.744 31.484 368 H GLY 42 H GLY 42 -6.030 -10.969 32.855 369 1HA GLY 42 2HA GLY 42 -4.265 -13.134 32.421 370 2HA GLY 42 1HA GLY 42 -3.392 -11.788 33.138 371 H GLU 43 H GLU 43 -4.583 -14.585 33.968 372 HA GLU 43 HA GLU 43 -6.068 -13.858 36.330 373 1HB GLU 43 2HB GLU 43 -5.889 -16.346 36.799 374 2HB GLU 43 1HB GLU 43 -6.766 -15.885 35.355 375 1HG GLU 43 2HG GLU 43 -3.873 -16.535 35.123 376 2HG GLU 43 1HG GLU 43 -5.024 -17.853 35.332 377 HA PRO 44 HA PRO 44 -2.441 -13.634 38.901 378 1HB PRO 44 2HB PRO 44 -3.650 -12.955 41.176 379 2HB PRO 44 1HB PRO 44 -3.627 -11.850 39.798 380 1HG PRO 44 2HG PRO 44 -5.837 -13.595 40.786 381 2HG PRO 44 1HG PRO 44 -5.911 -11.956 40.118 382 1HD PRO 44 2HD PRO 44 -6.431 -14.319 38.716 383 2HD PRO 44 1HD PRO 44 -6.095 -12.733 37.992 384 H VAL 45 H VAL 45 -2.065 -14.374 41.361 385 HA VAL 45 HA VAL 45 -2.738 -17.239 41.436 386 HB VAL 45 HB VAL 45 -0.518 -15.963 43.013 387 1HG1 VAL 45 1HG1 VAL 45 -1.173 -18.178 43.706 388 2HG1 VAL 45 2HG1 VAL 45 0.426 -18.230 42.965 389 3HG1 VAL 45 3HG1 VAL 45 -0.985 -18.780 42.058 390 1HG2 VAL 45 1HG2 VAL 45 -0.104 -15.375 40.693 391 2HG2 VAL 45 2HG2 VAL 45 -0.305 -17.061 40.213 392 3HG2 VAL 45 3HG2 VAL 45 1.052 -16.591 41.237 393 H SER 46 H SER 46 -3.254 -18.169 43.491 394 HA SER 46 HA SER 46 -4.517 -16.264 45.322 395 1HB SER 46 2HB SER 46 -5.041 -19.212 44.906 396 2HB SER 46 1HB SER 46 -5.950 -18.134 45.956 397 HG SER 46 HG SER 46 -5.986 -18.380 43.201 398 H VAL 47 H VAL 47 -4.830 -17.731 47.549 399 HA VAL 47 HA VAL 47 -2.314 -17.547 48.819 400 HB VAL 47 HB VAL 47 -4.519 -17.187 49.924 401 1HG1 VAL 47 1HG1 VAL 47 -5.770 -19.123 50.752 402 2HG1 VAL 47 2HG1 VAL 47 -4.714 -20.191 49.828 403 3HG1 VAL 47 3HG1 VAL 47 -5.752 -19.038 48.991 404 1HG2 VAL 47 1HG2 VAL 47 -2.525 -17.489 51.274 405 2HG2 VAL 47 2HG2 VAL 47 -2.751 -19.238 51.249 406 3HG2 VAL 47 3HG2 VAL 47 -3.929 -18.210 52.065 407 H GLU 48 H GLU 48 -1.144 -19.253 49.921 408 HA GLU 48 HA GLU 48 -0.569 -21.477 48.313 409 1HB GLU 48 2HB GLU 48 0.009 -21.302 51.270 410 2HB GLU 48 1HB GLU 48 0.895 -22.206 50.055 411 1HG GLU 48 2HG GLU 48 2.305 -20.452 50.285 412 2HG GLU 48 1HG GLU 48 1.254 -19.788 49.035 413 H GLU 49 H GLU 49 -1.452 -23.418 48.151 414 HA GLU 49 HA GLU 49 -3.887 -24.015 49.508 415 1HB GLU 49 2HB GLU 49 -3.366 -24.673 47.147 416 2HB GLU 49 1HB GLU 49 -2.224 -25.848 47.781 417 1HG GLU 49 2HG GLU 49 -4.200 -26.807 49.080 418 2HG GLU 49 1HG GLU 49 -5.213 -25.833 48.013 419 H ILE 50 H ILE 50 -0.590 -25.035 49.828 420 HA ILE 50 HA ILE 50 -1.173 -27.258 51.562 421 HB ILE 50 HB ILE 50 0.748 -27.236 49.978 422 1HG1 ILE 50 2HG1 ILE 50 1.512 -27.567 52.889 423 2HG1 ILE 50 1HG1 ILE 50 0.715 -28.781 51.900 424 1HG2 ILE 50 1HG2 ILE 50 1.910 -25.231 51.907 425 2HG2 ILE 50 2HG2 ILE 50 1.437 -24.926 50.236 426 3HG2 ILE 50 3HG2 ILE 50 2.786 -26.005 50.586 427 1HD1 ILE 50 1HD1 ILE 50 2.678 -28.914 50.460 428 2HD1 ILE 50 2HD1 ILE 50 3.083 -29.251 52.146 429 3HD1 ILE 50 3HD1 ILE 50 3.476 -27.684 51.441 430 H LYS 51 H LYS 51 -1.233 -24.050 52.014 431 HA LYS 51 HA LYS 51 0.185 -23.846 54.518 432 1HB LYS 51 2HB LYS 51 -0.058 -22.021 52.770 433 2HB LYS 51 1HB LYS 51 -1.715 -21.838 53.318 434 1HG LYS 51 2HG LYS 51 -0.950 -21.209 55.523 435 2HG LYS 51 1HG LYS 51 0.727 -21.503 55.050 436 1HD LYS 51 2HD LYS 51 0.288 -19.801 53.183 437 2HD LYS 51 1HD LYS 51 -1.137 -19.348 54.116 438 1HE LYS 51 2HE LYS 51 0.179 -18.661 55.959 439 2HE LYS 51 1HE LYS 51 1.630 -19.414 55.293 440 1HZ LYS 51 1HZ LYS 51 0.202 -17.041 54.227 441 2HZ LYS 51 2HZ LYS 51 1.475 -17.825 53.421 442 3HZ LYS 51 3HZ LYS 51 1.752 -17.074 54.921 443 H LYS 52 H LYS 52 -0.665 -24.002 56.498 444 HA LYS 52 HA LYS 52 -3.547 -24.442 56.752 445 1HB LYS 52 2HB LYS 52 -2.959 -25.568 58.860 446 2HB LYS 52 1HB LYS 52 -2.215 -26.339 57.474 447 1HG LYS 52 2HG LYS 52 -0.091 -25.490 58.024 448 2HG LYS 52 1HG LYS 52 -0.766 -24.325 59.163 449 1HD LYS 52 2HD LYS 52 -0.887 -27.318 59.519 450 2HD LYS 52 1HD LYS 52 0.336 -26.274 60.246 451 1HE LYS 52 2HE LYS 52 -1.526 -24.997 61.338 452 2HE LYS 52 1HE LYS 52 -2.640 -26.227 60.743 453 1HZ LYS 52 1HZ LYS 52 -1.970 -26.653 63.037 454 2HZ LYS 52 2HZ LYS 52 -0.342 -26.720 62.568 455 3HZ LYS 52 3HZ LYS 52 -1.430 -27.896 62.015 456 H ILE 53 H ILE 53 -4.625 -23.483 58.586 457 HA ILE 53 HA ILE 53 -3.479 -21.012 59.553 458 HB ILE 53 HB ILE 53 -5.992 -22.450 60.462 459 1HG1 ILE 53 2HG1 ILE 53 -5.651 -20.125 58.546 460 2HG1 ILE 53 1HG1 ILE 53 -6.074 -21.774 58.091 461 1HG2 ILE 53 1HG2 ILE 53 -5.045 -19.630 60.970 462 2HG2 ILE 53 2HG2 ILE 53 -5.131 -20.933 62.156 463 3HG2 ILE 53 3HG2 ILE 53 -6.611 -20.288 61.445 464 1HD1 ILE 53 1HD1 ILE 53 -7.733 -19.943 59.815 465 2HD1 ILE 53 2HD1 ILE 53 -8.160 -21.584 59.329 466 3HD1 ILE 53 3HD1 ILE 53 -8.020 -20.315 58.115 467 H ARG 54 H ARG 54 -1.946 -21.052 61.061 468 HA ARG 54 HA ARG 54 -1.254 -23.479 62.337 469 1HB ARG 54 2HB ARG 54 0.529 -22.228 63.415 470 2HB ARG 54 1HB ARG 54 0.427 -21.822 61.712 471 1HG ARG 54 2HG ARG 54 0.693 -19.741 62.552 472 2HG ARG 54 1HG ARG 54 -1.063 -19.842 62.665 473 1HD ARG 54 2HD ARG 54 -0.886 -20.509 65.005 474 2HD ARG 54 1HD ARG 54 0.872 -20.470 64.895 475 HE ARG 54 HE ARG 54 -0.409 -17.979 64.206 476 1HH1 ARG 54 1HH1 ARG 54 0.956 -19.907 66.799 477 2HH1 ARG 54 2HH1 ARG 54 1.221 -18.543 67.846 478 1HH2 ARG 54 1HH2 ARG 54 -0.077 -16.201 65.543 479 2HH2 ARG 54 2HH2 ARG 54 0.635 -16.408 67.121 480 H ASP 55 H ASP 55 -1.635 -24.269 64.312 481 HA ASP 55 HA ASP 55 -3.673 -22.963 65.891 482 1HB ASP 55 2HB ASP 55 -3.463 -25.027 67.330 483 2HB ASP 55 1HB ASP 55 -3.946 -25.315 65.666 484 H GLY 56 H GLY 56 -3.455 -22.272 67.984 485 1HA GLY 56 2HA GLY 56 -0.819 -22.191 69.195 486 2HA GLY 56 1HA GLY 56 -1.452 -20.641 68.657 487 H THR 57 H THR 57 -0.885 -20.846 71.235 488 HA THR 57 HA THR 57 -1.702 -20.454 73.307 489 HB THR 57 HB THR 57 -4.398 -20.618 71.987 490 HG1 THR 57 HG1 THR 57 -3.337 -18.948 71.039 491 1HG2 THR 57 1HG2 THR 57 -3.579 -19.377 74.614 492 2HG2 THR 57 2HG2 THR 57 -4.576 -20.818 74.413 493 3HG2 THR 57 3HG2 THR 57 -5.180 -19.248 73.883 494 H TRP 58 H TRP 58 -2.317 -21.679 75.107 495 HA TRP 58 HA TRP 58 -3.168 -24.427 74.496 496 1HB TRP 58 2HB TRP 58 -0.714 -24.163 75.115 497 2HB TRP 58 1HB TRP 58 -1.262 -23.687 76.721 498 HD1 TRP 58 HD1 TRP 58 -2.026 -26.675 74.351 499 HE1 TRP 58 HE1 TRP 58 -2.019 -28.829 75.758 500 HE3 TRP 58 HE3 TRP 58 -0.997 -24.635 78.925 501 HZ2 TRP 58 HZ2 TRP 58 -1.628 -29.561 78.461 502 HZ3 TRP 58 HZ3 TRP 58 -0.822 -26.134 80.871 503 HH2 TRP 58 HH2 TRP 58 -1.131 -28.544 80.643 504 H MET 59 H MET 59 -4.486 -25.453 76.023 505 HA MET 59 HA MET 59 -6.120 -23.587 77.531 506 1HB MET 59 2HB MET 59 -6.457 -26.536 76.965 507 2HB MET 59 1HB MET 59 -7.600 -25.572 77.887 508 1HG MET 59 2HG MET 59 -7.977 -24.148 75.932 509 2HG MET 59 1HG MET 59 -6.846 -25.134 75.005 510 1HE MET 59 1HE MET 59 -10.330 -26.090 73.470 511 2HE MET 59 2HE MET 59 -8.712 -25.480 73.129 512 3HE MET 59 3HE MET 59 -9.846 -24.502 74.064 513 H SER 60 H SER 60 -6.392 -23.559 79.701 514 HA SER 60 HA SER 60 -4.237 -24.602 81.282 515 1HB SER 60 2HB SER 60 -6.771 -23.226 82.205 516 2HB SER 60 1HB SER 60 -5.280 -23.417 83.122 517 HG SER 60 HG SER 60 -4.535 -22.264 80.908 518 H SER 61 H SER 61 -4.745 -25.737 83.401 519 HA SER 61 HA SER 61 -6.606 -27.945 82.804 520 1HB SER 61 2HB SER 61 -4.268 -27.890 84.734 521 2HB SER 61 1HB SER 61 -5.242 -29.299 84.313 522 HG SER 61 HG SER 61 -4.054 -27.893 82.220 523 H LEU 62 H LEU 62 -7.235 -25.293 84.009 524 HA LEU 62 HA LEU 62 -7.976 -24.206 85.814 525 1HB LEU 62 2HB LEU 62 -9.317 -26.873 86.119 526 2HB LEU 62 1HB LEU 62 -9.699 -25.478 87.102 527 HG LEU 62 HG LEU 62 -11.323 -25.471 85.455 528 1HD1 LEU 62 1HD1 LEU 62 -9.175 -23.599 84.521 529 2HD1 LEU 62 2HD1 LEU 62 -10.390 -23.277 85.757 530 3HD1 LEU 62 3HD1 LEU 62 -10.877 -23.498 84.078 531 1HD2 LEU 62 1HD2 LEU 62 -10.908 -25.718 83.060 532 2HD2 LEU 62 2HD2 LEU 62 -10.371 -27.134 83.963 533 3HD2 LEU 62 3HD2 LEU 62 -9.192 -25.955 83.389 534 H GLU 63 H GLU 63 -6.060 -23.891 86.757 535 HA GLU 63 HA GLU 63 -4.616 -25.728 88.289 536 1HB GLU 63 2HB GLU 63 -4.590 -22.711 88.250 537 2HB GLU 63 1HB GLU 63 -3.447 -23.672 89.172 538 1HG GLU 63 2HG GLU 63 -2.434 -22.981 87.105 539 2HG GLU 63 1HG GLU 63 -2.673 -24.725 87.085 540 H HIS 64 H HIS 64 -5.151 -26.621 90.106 541 HA HIS 64 HA HIS 64 -6.067 -27.066 92.119 542 1HB HIS 64 2HB HIS 64 -4.689 -25.075 92.795 543 2HB HIS 64 1HB HIS 64 -6.113 -24.071 92.551 544 HD1 HIS 64 HD1 HIS 64 -6.924 -23.435 94.801 545 HD2 HIS 64 HD2 HIS 64 -5.781 -27.435 94.637 546 HE1 HIS 64 HE1 HIS 64 -7.457 -24.392 97.067 547 HE2 HIS 64 HE2 HIS 64 -6.906 -26.844 96.893 548 H HIS 65 H HIS 65 -7.854 -27.700 90.676 549 HA HIS 65 HA HIS 65 -10.186 -25.963 90.617 550 1HB HIS 65 2HB HIS 65 -9.442 -27.346 88.647 551 2HB HIS 65 1HB HIS 65 -9.885 -28.784 89.557 552 HD1 HIS 65 HD1 HIS 65 -11.883 -29.626 88.340 553 HD2 HIS 65 HD2 HIS 65 -12.113 -25.541 89.096 554 HE1 HIS 65 HE1 HIS 65 -14.169 -28.918 87.565 555 HE2 HIS 65 HE2 HIS 65 -14.360 -26.502 88.238 556 H HIS 66 H HIS 66 -9.314 -26.819 93.162 557 HA HIS 66 HA HIS 66 -11.748 -28.156 94.074 558 1HB HIS 66 2HB HIS 66 -8.931 -28.845 94.952 559 2HB HIS 66 1HB HIS 66 -10.369 -29.321 95.847 560 HD1 HIS 66 HD1 HIS 66 -8.351 -30.146 92.838 561 HD2 HIS 66 HD2 HIS 66 -11.904 -31.369 94.624 562 HE1 HIS 66 HE1 HIS 66 -8.960 -32.314 91.721 563 HE2 HIS 66 HE2 HIS 66 -10.998 -33.136 92.959 564 H HIS 67 H HIS 67 -12.653 -27.164 95.813 565 HA HIS 67 HA HIS 67 -11.015 -25.142 97.188 566 1HB HIS 67 2HB HIS 67 -13.642 -24.770 95.835 567 2HB HIS 67 1HB HIS 67 -13.346 -23.883 97.329 568 HD1 HIS 67 HD1 HIS 67 -12.722 -23.769 93.744 569 HD2 HIS 67 HD2 HIS 67 -10.973 -22.187 97.173 570 HE1 HIS 67 HE1 HIS 67 -11.262 -21.871 92.952 571 HE2 HIS 67 HE2 HIS 67 -10.119 -21.009 95.034 572 H HIS 68 H HIS 68 -10.736 -26.052 99.093 573 HA HIS 68 HA HIS 68 -13.115 -26.905 100.603 574 1HB HIS 68 2HB HIS 68 -10.179 -27.115 101.347 575 2HB HIS 68 1HB HIS 68 -11.526 -27.770 102.271 576 HD1 HIS 68 HD1 HIS 68 -12.362 -30.070 101.631 577 HD2 HIS 68 HD2 HIS 68 -9.679 -28.484 98.874 578 HE1 HIS 68 HE1 HIS 68 -11.830 -31.943 100.043 579 HE2 HIS 68 HE2 HIS 68 -10.171 -30.982 98.406 580 H HIS 69 H HIS 69 -10.496 -24.641 100.402 581 HA HIS 69 HA HIS 69 -11.933 -22.496 101.487 582 1HB HIS 69 2HB HIS 69 -11.472 -23.732 103.624 583 2HB HIS 69 1HB HIS 69 -9.750 -23.544 103.305 584 HD1 HIS 69 HD1 HIS 69 -8.690 -21.306 103.869 585 HD2 HIS 69 HD2 HIS 69 -12.830 -21.308 104.253 586 HE1 HIS 69 HE1 HIS 69 -9.272 -19.122 104.975 587 HE2 HIS 69 HE2 HIS 69 -11.792 -19.068 105.012 588 1H MET 1 1H MET 1 -0.520 -19.855 5.741 589 2H MET 1 2H MET 1 -1.943 -19.460 6.576 590 3H MET 1 3H MET 1 -0.732 -20.363 7.341 591 HA MET 1 HA MET 1 -0.710 -18.088 8.108 592 1HB MET 1 2HB MET 1 1.624 -19.017 6.439 593 2HB MET 1 1HB MET 1 1.695 -17.551 7.408 594 1HG MET 1 2HG MET 1 2.705 -19.368 8.609 595 2HG MET 1 1HG MET 1 1.219 -18.879 9.420 596 1HE MET 1 1HE MET 1 1.250 -21.119 10.832 597 2HE MET 1 2HE MET 1 2.744 -21.596 10.023 598 3HE MET 1 3HE MET 1 1.390 -22.723 10.115 599 HA PRO 2 HA PRO 2 -1.909 -15.343 4.780 600 1HB PRO 2 2HB PRO 2 -2.905 -13.383 6.331 601 2HB PRO 2 1HB PRO 2 -3.770 -14.899 6.063 602 1HG PRO 2 2HG PRO 2 -2.193 -14.012 8.429 603 2HG PRO 2 1HG PRO 2 -3.685 -14.966 8.363 604 1HD PRO 2 2HD PRO 2 -1.133 -16.005 8.717 605 2HD PRO 2 1HD PRO 2 -2.545 -16.924 8.166 606 H LYS 3 H LYS 3 0.529 -15.204 4.508 607 HA LYS 3 HA LYS 3 1.841 -12.909 5.653 608 1HB LYS 3 2HB LYS 3 3.201 -14.787 5.018 609 2HB LYS 3 1HB LYS 3 2.562 -14.759 3.384 610 1HG LYS 3 2HG LYS 3 3.631 -12.516 3.093 611 2HG LYS 3 1HG LYS 3 4.403 -12.754 4.661 612 1HD LYS 3 2HD LYS 3 5.520 -14.747 3.842 613 2HD LYS 3 1HD LYS 3 4.697 -14.598 2.289 614 1HE LYS 3 2HE LYS 3 6.556 -12.513 3.425 615 2HE LYS 3 1HE LYS 3 7.064 -13.779 2.311 616 1HZ LYS 3 1HZ LYS 3 4.985 -11.729 1.711 617 2HZ LYS 3 2HZ LYS 3 5.588 -12.896 0.639 618 3HZ LYS 3 3HZ LYS 3 6.598 -11.659 1.196 619 H ILE 4 H ILE 4 2.282 -10.958 4.599 620 HA ILE 4 HA ILE 4 0.491 -10.170 2.528 621 HB ILE 4 HB ILE 4 1.882 -8.093 2.430 622 1HG1 ILE 4 2HG1 ILE 4 3.867 -9.416 3.534 623 2HG1 ILE 4 1HG1 ILE 4 3.672 -7.695 3.750 624 1HG2 ILE 4 1HG2 ILE 4 1.056 -7.175 4.515 625 2HG2 ILE 4 2HG2 ILE 4 0.719 -8.806 5.096 626 3HG2 ILE 4 3HG2 ILE 4 -0.154 -8.168 3.701 627 1HD1 ILE 4 1HD1 ILE 4 2.592 -8.106 5.929 628 2HD1 ILE 4 2HD1 ILE 4 4.247 -8.712 5.853 629 3HD1 ILE 4 3HD1 ILE 4 2.894 -9.831 5.725 630 H ILE 5 H ILE 5 0.797 -10.453 0.448 631 HA ILE 5 HA ILE 5 3.460 -11.077 -0.509 632 HB ILE 5 HB ILE 5 2.261 -11.749 -2.566 633 1HG1 ILE 5 2HG1 ILE 5 -0.199 -11.247 -0.891 634 2HG1 ILE 5 1HG1 ILE 5 0.265 -10.368 -2.343 635 1HG2 ILE 5 1HG2 ILE 5 1.343 -13.128 -0.059 636 2HG2 ILE 5 2HG2 ILE 5 2.886 -13.379 -0.874 637 3HG2 ILE 5 3HG2 ILE 5 1.384 -13.835 -1.674 638 1HD1 ILE 5 1HD1 ILE 5 -0.467 -13.282 -2.234 639 2HD1 ILE 5 2HD1 ILE 5 -0.049 -12.363 -3.679 640 3HD1 ILE 5 3HD1 ILE 5 -1.515 -11.974 -2.780 641 H GLU 6 H GLU 6 4.508 -9.715 -1.838 642 HA GLU 6 HA GLU 6 3.412 -7.056 -2.022 643 1HB GLU 6 2HB GLU 6 6.136 -8.077 -2.813 644 2HB GLU 6 1HB GLU 6 5.663 -6.393 -2.682 645 1HG GLU 6 2HG GLU 6 6.624 -6.608 -0.652 646 2HG GLU 6 1HG GLU 6 5.028 -7.199 -0.227 647 H ALA 7 H ALA 7 2.884 -5.976 -3.806 648 HA ALA 7 HA ALA 7 3.242 -7.276 -6.425 649 1HB ALA 7 1HB ALA 7 0.691 -6.022 -5.397 650 2HB ALA 7 2HB ALA 7 0.966 -7.741 -5.676 651 3HB ALA 7 3HB ALA 7 0.954 -6.617 -7.036 652 H VAL 8 H VAL 8 3.350 -5.822 -8.184 653 HA VAL 8 HA VAL 8 3.689 -3.004 -7.454 654 HB VAL 8 HB VAL 8 5.085 -2.918 -9.585 655 1HG1 VAL 8 1HG1 VAL 8 6.091 -4.475 -7.209 656 2HG1 VAL 8 2HG1 VAL 8 6.069 -2.720 -7.376 657 3HG1 VAL 8 3HG1 VAL 8 7.114 -3.691 -8.414 658 1HG2 VAL 8 1HG2 VAL 8 5.119 -5.895 -9.149 659 2HG2 VAL 8 2HG2 VAL 8 6.191 -5.014 -10.238 660 3HG2 VAL 8 3HG2 VAL 8 4.454 -5.051 -10.547 661 H TYR 9 H TYR 9 2.107 -1.807 -8.110 662 HA TYR 9 HA TYR 9 0.253 -2.476 -10.208 663 1HB TYR 9 2HB TYR 9 -0.471 -1.108 -8.379 664 2HB TYR 9 1HB TYR 9 0.851 0.029 -8.603 665 HD1 TYR 9 HD1 TYR 9 -2.433 -1.055 -9.816 666 HD2 TYR 9 HD2 TYR 9 0.737 1.737 -10.294 667 HE1 TYR 9 HE1 TYR 9 -3.896 0.376 -11.172 668 HE2 TYR 9 HE2 TYR 9 -0.710 3.165 -11.660 669 HH TYR 9 HH TYR 9 -2.670 3.079 -12.965 670 H GLU 10 H GLU 10 0.316 -2.094 -12.242 671 HA GLU 10 HA GLU 10 1.958 -0.016 -13.417 672 1HB GLU 10 2HB GLU 10 3.453 -1.964 -13.330 673 2HB GLU 10 1HB GLU 10 2.245 -2.933 -14.153 674 1HG GLU 10 2HG GLU 10 2.421 -1.232 -16.041 675 2HG GLU 10 1HG GLU 10 3.881 -0.676 -15.232 676 H ASN 11 H ASN 11 0.790 0.911 -14.957 677 HA ASN 11 HA ASN 11 -0.543 1.200 -16.780 678 1HB ASN 11 2HB ASN 11 0.697 -1.055 -17.362 679 2HB ASN 11 1HB ASN 11 -0.906 -1.739 -17.152 680 1HD2 ASN 11 1HD2 ASN 11 -1.186 -2.276 -19.281 681 2HD2 ASN 11 2HD2 ASN 11 -1.378 -1.107 -20.540 682 H GLY 12 H GLY 12 -1.634 0.592 -14.024 683 1HA GLY 12 2HA GLY 12 -3.876 0.918 -13.328 684 2HA GLY 12 1HA GLY 12 -4.414 0.305 -14.886 685 H VAL 13 H VAL 13 -1.954 -1.588 -13.567 686 HA VAL 13 HA VAL 13 -3.940 -3.552 -12.559 687 HB VAL 13 HB VAL 13 -1.290 -4.263 -13.753 688 1HG1 VAL 13 1HG1 VAL 13 -3.836 -5.823 -13.351 689 2HG1 VAL 13 2HG1 VAL 13 -2.330 -5.981 -12.447 690 3HG1 VAL 13 3HG1 VAL 13 -2.389 -6.443 -14.147 691 1HG2 VAL 13 1HG2 VAL 13 -3.895 -4.051 -15.285 692 2HG2 VAL 13 2HG2 VAL 13 -2.397 -4.744 -15.906 693 3HG2 VAL 13 3HG2 VAL 13 -2.474 -3.029 -15.502 694 H PHE 14 H PHE 14 -3.345 -4.669 -10.649 695 HA PHE 14 HA PHE 14 -0.705 -3.976 -9.570 696 1HB PHE 14 2HB PHE 14 -3.105 -5.280 -8.290 697 2HB PHE 14 1HB PHE 14 -1.554 -5.109 -7.494 698 HD1 PHE 14 HD1 PHE 14 -0.828 -3.012 -6.615 699 HD2 PHE 14 HD2 PHE 14 -4.480 -3.311 -8.771 700 HE1 PHE 14 HE1 PHE 14 -1.482 -0.780 -5.812 701 HE2 PHE 14 HE2 PHE 14 -5.137 -1.079 -7.977 702 HZ PHE 14 HZ PHE 14 -3.638 0.190 -6.492 703 H LYS 15 H LYS 15 0.859 -5.319 -10.120 704 HA LYS 15 HA LYS 15 0.197 -8.138 -10.627 705 1HB LYS 15 2HB LYS 15 2.409 -6.379 -11.671 706 2HB LYS 15 1HB LYS 15 2.408 -8.121 -11.854 707 1HG LYS 15 2HG LYS 15 0.293 -7.974 -13.094 708 2HG LYS 15 1HG LYS 15 0.354 -6.216 -12.945 709 1HD LYS 15 2HD LYS 15 2.458 -7.916 -14.284 710 2HD LYS 15 1HD LYS 15 1.196 -7.019 -15.131 711 1HE LYS 15 2HE LYS 15 2.074 -4.934 -14.376 712 2HE LYS 15 1HE LYS 15 3.187 -5.740 -13.273 713 1HZ LYS 15 1HZ LYS 15 4.445 -6.571 -15.094 714 2HZ LYS 15 2HZ LYS 15 4.226 -4.908 -15.352 715 3HZ LYS 15 3HZ LYS 15 3.300 -6.035 -16.226 716 HA PRO 16 HA PRO 16 2.457 -8.704 -6.818 717 1HB PRO 16 2HB PRO 16 2.386 -11.432 -6.823 718 2HB PRO 16 1HB PRO 16 1.059 -10.412 -6.259 719 1HG PRO 16 2HG PRO 16 1.400 -11.792 -8.890 720 2HG PRO 16 1HG PRO 16 -0.058 -11.607 -7.897 721 1HD PRO 16 2HD PRO 16 0.418 -10.075 -10.068 722 2HD PRO 16 1HD PRO 16 -0.454 -9.465 -8.647 723 H LEU 17 H LEU 17 4.400 -9.754 -6.145 724 HA LEU 17 HA LEU 17 6.152 -10.596 -8.359 725 1HB LEU 17 2HB LEU 17 6.891 -9.409 -5.673 726 2HB LEU 17 1HB LEU 17 8.042 -10.008 -6.847 727 HG LEU 17 HG LEU 17 6.909 -8.234 -8.422 728 1HD1 LEU 17 1HD1 LEU 17 5.138 -7.601 -6.871 729 2HD1 LEU 17 2HD1 LEU 17 6.193 -6.235 -7.237 730 3HD1 LEU 17 3HD1 LEU 17 6.349 -7.080 -5.697 731 1HD2 LEU 17 1HD2 LEU 17 9.252 -8.221 -7.766 732 2HD2 LEU 17 2HD2 LEU 17 8.827 -7.484 -6.221 733 3HD2 LEU 17 3HD2 LEU 17 8.579 -6.591 -7.721 734 H GLN 18 H GLN 18 4.288 -11.578 -5.887 735 HA GLN 18 HA GLN 18 6.035 -13.713 -4.926 736 1HB GLN 18 2HB GLN 18 3.212 -12.963 -4.177 737 2HB GLN 18 1HB GLN 18 4.203 -14.158 -3.369 738 1HG GLN 18 2HG GLN 18 5.050 -11.301 -3.579 739 2HG GLN 18 1HG GLN 18 3.976 -11.859 -2.298 740 1HE2 GLN 18 1HE2 GLN 18 7.177 -11.926 -3.574 741 2HE2 GLN 18 2HE2 GLN 18 7.913 -12.638 -2.188 742 H LYS 19 H LYS 19 4.207 -13.304 -7.483 743 HA LYS 19 HA LYS 19 2.507 -14.262 -8.628 744 1HB LYS 19 2HB LYS 19 4.604 -16.384 -8.472 745 2HB LYS 19 1HB LYS 19 3.256 -16.395 -9.587 746 1HG LYS 19 2HG LYS 19 3.999 -14.174 -10.417 747 2HG LYS 19 1HG LYS 19 5.449 -14.375 -9.432 748 1HD LYS 19 2HD LYS 19 5.782 -16.566 -10.631 749 2HD LYS 19 1HD LYS 19 4.532 -16.041 -11.751 750 1HE LYS 19 2HE LYS 19 6.808 -15.551 -12.574 751 2HE LYS 19 1HE LYS 19 5.819 -14.106 -12.375 752 1HZ LYS 19 1HZ LYS 19 8.134 -13.904 -11.538 753 2HZ LYS 19 2HZ LYS 19 7.768 -15.051 -10.347 754 3HZ LYS 19 3HZ LYS 19 6.950 -13.564 -10.375 755 H VAL 20 H VAL 20 0.645 -15.188 -8.497 756 HA VAL 20 HA VAL 20 0.158 -16.789 -6.071 757 HB VAL 20 HB VAL 20 -1.840 -14.742 -6.825 758 1HG1 VAL 20 1HG1 VAL 20 -2.230 -14.711 -4.413 759 2HG1 VAL 20 2HG1 VAL 20 -0.890 -15.837 -4.184 760 3HG1 VAL 20 3HG1 VAL 20 -2.328 -16.343 -5.074 761 1HG2 VAL 20 1HG2 VAL 20 -0.738 -13.041 -5.422 762 2HG2 VAL 20 2HG2 VAL 20 0.209 -13.438 -6.857 763 3HG2 VAL 20 3HG2 VAL 20 0.673 -14.091 -5.287 764 H ASP 21 H ASP 21 -1.202 -18.295 -6.110 765 HA ASP 21 HA ASP 21 -2.996 -18.513 -8.415 766 1HB ASP 21 2HB ASP 21 -1.313 -20.300 -8.207 767 2HB ASP 21 1HB ASP 21 -1.971 -20.703 -6.631 768 H LEU 22 H LEU 22 -4.352 -17.200 -7.436 769 HA LEU 22 HA LEU 22 -5.893 -18.236 -5.168 770 1HB LEU 22 2HB LEU 22 -5.626 -15.487 -6.367 771 2HB LEU 22 1HB LEU 22 -6.885 -15.890 -5.230 772 HG LEU 22 HG LEU 22 -3.936 -16.084 -4.645 773 1HD1 LEU 22 1HD1 LEU 22 -4.248 -14.098 -3.288 774 2HD1 LEU 22 2HD1 LEU 22 -5.942 -14.009 -3.771 775 3HD1 LEU 22 3HD1 LEU 22 -4.667 -13.766 -4.968 776 1HD2 LEU 22 1HD2 LEU 22 -6.349 -16.329 -2.853 777 2HD2 LEU 22 2HD2 LEU 22 -4.667 -16.339 -2.325 778 3HD2 LEU 22 3HD2 LEU 22 -5.278 -17.642 -3.342 779 H LYS 23 H LYS 23 -8.287 -16.870 -5.669 780 HA LYS 23 HA LYS 23 -9.310 -18.309 -7.984 781 1HB LYS 23 2HB LYS 23 -10.686 -16.595 -5.908 782 2HB LYS 23 1HB LYS 23 -11.505 -17.426 -7.216 783 1HG LYS 23 2HG LYS 23 -10.630 -19.577 -6.292 784 2HG LYS 23 1HG LYS 23 -10.042 -18.660 -4.903 785 1HD LYS 23 2HD LYS 23 -12.906 -18.831 -5.830 786 2HD LYS 23 1HD LYS 23 -12.211 -19.680 -4.452 787 1HE LYS 23 2HE LYS 23 -12.340 -16.680 -4.742 788 2HE LYS 23 1HE LYS 23 -13.477 -17.652 -3.811 789 1HZ LYS 23 1HZ LYS 23 -11.697 -18.344 -2.364 790 2HZ LYS 23 2HZ LYS 23 -11.730 -16.648 -2.437 791 3HZ LYS 23 3HZ LYS 23 -10.552 -17.500 -3.296 792 H GLU 24 H GLU 24 -11.162 -16.767 -9.092 793 HA GLU 24 HA GLU 24 -9.735 -14.352 -9.901 794 1HB GLU 24 2HB GLU 24 -11.951 -15.859 -11.269 795 2HB GLU 24 1HB GLU 24 -11.170 -14.428 -11.880 796 1HG GLU 24 2HG GLU 24 -9.004 -15.697 -11.810 797 2HG GLU 24 1HG GLU 24 -9.966 -17.142 -11.500 798 H GLY 25 H GLY 25 -10.506 -12.474 -9.343 799 1HA GLY 25 2HA GLY 25 -12.005 -10.877 -8.529 800 2HA GLY 25 1HA GLY 25 -13.261 -12.112 -8.510 801 H GLU 26 H GLU 26 -10.179 -12.784 -7.146 802 HA GLU 26 HA GLU 26 -11.192 -13.562 -4.665 803 1HB GLU 26 2HB GLU 26 -9.114 -14.372 -5.804 804 2HB GLU 26 1HB GLU 26 -8.348 -12.845 -5.402 805 1HG GLU 26 2HG GLU 26 -7.672 -14.462 -3.837 806 2HG GLU 26 1HG GLU 26 -8.756 -13.340 -3.022 807 H ARG 27 H ARG 27 -11.392 -12.517 -2.754 808 HA ARG 27 HA ARG 27 -11.366 -9.629 -2.874 809 1HB ARG 27 2HB ARG 27 -12.273 -11.531 -0.749 810 2HB ARG 27 1HB ARG 27 -12.389 -9.794 -0.607 811 1HG ARG 27 2HG ARG 27 -13.652 -11.262 -2.892 812 2HG ARG 27 1HG ARG 27 -14.467 -11.056 -1.343 813 1HD ARG 27 2HD ARG 27 -13.425 -8.840 -3.100 814 2HD ARG 27 1HD ARG 27 -15.117 -9.304 -2.917 815 HE ARG 27 HE ARG 27 -13.889 -8.665 -0.416 816 1HH1 ARG 27 1HH1 ARG 27 -15.426 -7.275 -3.243 817 2HH1 ARG 27 2HH1 ARG 27 -15.909 -5.825 -2.407 818 1HH2 ARG 27 1HH2 ARG 27 -14.508 -6.768 0.672 819 2HH2 ARG 27 2HH2 ARG 27 -15.370 -5.530 -0.196 820 H VAL 28 H VAL 28 -9.693 -8.549 -2.397 821 HA VAL 28 HA VAL 28 -8.017 -9.275 -0.110 822 HB VAL 28 HB VAL 28 -5.958 -8.782 -1.347 823 1HG1 VAL 28 1HG1 VAL 28 -6.721 -11.103 -1.165 824 2HG1 VAL 28 2HG1 VAL 28 -5.839 -10.822 -2.665 825 3HG1 VAL 28 3HG1 VAL 28 -7.600 -10.929 -2.683 826 1HG2 VAL 28 1HG2 VAL 28 -6.875 -7.285 -3.029 827 2HG2 VAL 28 2HG2 VAL 28 -7.746 -8.628 -3.767 828 3HG2 VAL 28 3HG2 VAL 28 -5.983 -8.603 -3.790 829 H LYS 29 H LYS 29 -6.645 -7.515 0.631 830 HA LYS 29 HA LYS 29 -7.706 -4.858 -0.059 831 1HB LYS 29 2HB LYS 29 -6.558 -5.897 2.534 832 2HB LYS 29 1HB LYS 29 -6.969 -4.222 2.230 833 1HG LYS 29 2HG LYS 29 -8.927 -6.505 2.152 834 2HG LYS 29 1HG LYS 29 -8.683 -5.421 3.518 835 1HD LYS 29 2HD LYS 29 -9.426 -3.537 2.256 836 2HD LYS 29 1HD LYS 29 -9.478 -4.491 0.773 837 1HE LYS 29 2HE LYS 29 -11.711 -4.125 1.733 838 2HE LYS 29 1HE LYS 29 -11.287 -5.831 1.650 839 1HZ LYS 29 1HZ LYS 29 -10.964 -5.923 3.949 840 2HZ LYS 29 2HZ LYS 29 -12.378 -5.009 3.756 841 3HZ LYS 29 3HZ LYS 29 -10.918 -4.234 4.119 842 H ILE 30 H ILE 30 -6.227 -3.230 -0.375 843 HA ILE 30 HA ILE 30 -3.407 -4.066 -0.577 844 HB ILE 30 HB ILE 30 -3.801 -1.788 -2.200 845 1HG1 ILE 30 2HG1 ILE 30 -5.735 -4.017 -2.846 846 2HG1 ILE 30 1HG1 ILE 30 -6.156 -2.373 -2.390 847 1HG2 ILE 30 1HG2 ILE 30 -2.031 -3.372 -2.476 848 2HG2 ILE 30 2HG2 ILE 30 -2.977 -3.300 -3.964 849 3HG2 ILE 30 3HG2 ILE 30 -3.183 -4.656 -2.852 850 1HD1 ILE 30 1HD1 ILE 30 -5.156 -1.528 -4.428 851 2HD1 ILE 30 2HD1 ILE 30 -6.382 -2.746 -4.789 852 3HD1 ILE 30 3HD1 ILE 30 -4.670 -3.162 -4.880 853 H LYS 31 H LYS 31 -2.089 -3.035 0.626 854 HA LYS 31 HA LYS 31 -2.605 -0.224 1.257 855 1HB LYS 31 2HB LYS 31 -3.229 -1.615 3.210 856 2HB LYS 31 1HB LYS 31 -1.610 -2.295 3.227 857 1HG LYS 31 2HG LYS 31 -0.658 -0.167 3.782 858 2HG LYS 31 1HG LYS 31 -2.226 0.627 3.595 859 1HD LYS 31 2HD LYS 31 -3.117 -0.692 5.448 860 2HD LYS 31 1HD LYS 31 -1.561 -1.504 5.623 861 1HE LYS 31 2HE LYS 31 -1.999 1.464 5.937 862 2HE LYS 31 1HE LYS 31 -1.920 0.312 7.271 863 1HZ LYS 31 1HZ LYS 31 0.212 1.215 7.099 864 2HZ LYS 31 2HZ LYS 31 0.234 1.115 5.411 865 3HZ LYS 31 3HZ LYS 31 0.348 -0.303 6.345 866 H LEU 32 H LEU 32 -0.928 0.990 0.729 867 HA LEU 32 HA LEU 32 1.405 -0.202 -0.411 868 1HB LEU 32 2HB LEU 32 0.880 2.689 0.266 869 2HB LEU 32 1HB LEU 32 2.116 2.095 -0.811 870 HG LEU 32 HG LEU 32 0.124 1.156 -2.196 871 1HD1 LEU 32 1HD1 LEU 32 -1.254 3.191 -0.464 872 2HD1 LEU 32 2HD1 LEU 32 -1.707 1.508 -0.746 873 3HD1 LEU 32 3HD1 LEU 32 -1.865 2.694 -2.040 874 1HD2 LEU 32 1HD2 LEU 32 -0.061 3.260 -3.416 875 2HD2 LEU 32 2HD2 LEU 32 1.610 2.891 -2.983 876 3HD2 LEU 32 3HD2 LEU 32 0.707 4.105 -2.072 877 H GLU 33 H GLU 33 3.193 -0.807 0.760 878 HA GLU 33 HA GLU 33 3.593 0.228 3.413 879 1HB GLU 33 2HB GLU 33 1.498 -1.106 3.558 880 2HB GLU 33 1HB GLU 33 2.404 -2.528 3.069 881 1HG GLU 33 2HG GLU 33 3.663 -2.508 5.052 882 2HG GLU 33 1HG GLU 33 3.066 -0.912 5.486 883 H LEU 34 H LEU 34 5.194 -1.007 4.644 884 HA LEU 34 HA LEU 34 7.295 -1.987 2.853 885 1HB LEU 34 2HB LEU 34 7.491 -1.143 5.745 886 2HB LEU 34 1HB LEU 34 8.828 -1.465 4.661 887 HG LEU 34 HG LEU 34 6.866 0.796 4.364 888 1HD1 LEU 34 1HD1 LEU 34 8.304 1.130 6.288 889 2HD1 LEU 34 2HD1 LEU 34 8.751 2.233 4.986 890 3HD1 LEU 34 3HD1 LEU 34 9.730 0.800 5.303 891 1HD2 LEU 34 1HD2 LEU 34 9.383 0.152 2.835 892 2HD2 LEU 34 2HD2 LEU 34 8.414 1.614 2.651 893 3HD2 LEU 34 3HD2 LEU 34 7.734 0.046 2.220 894 H LYS 35 H LYS 35 8.688 -3.142 5.234 895 HA LYS 35 HA LYS 35 7.248 -5.709 5.249 896 1HB LYS 35 2HB LYS 35 9.288 -5.841 3.965 897 2HB LYS 35 1HB LYS 35 10.214 -5.135 5.276 898 1HG LYS 35 2HG LYS 35 10.649 -7.487 5.174 899 2HG LYS 35 1HG LYS 35 9.728 -7.138 6.637 900 1HD LYS 35 2HD LYS 35 7.678 -7.877 5.516 901 2HD LYS 35 1HD LYS 35 8.606 -8.234 4.058 902 1HE LYS 35 2HE LYS 35 9.919 -9.881 5.293 903 2HE LYS 35 1HE LYS 35 9.010 -9.516 6.759 904 1HZ LYS 35 1HZ LYS 35 8.254 -11.530 5.569 905 2HZ LYS 35 2HZ LYS 35 7.791 -10.556 4.263 906 3HZ LYS 35 3HZ LYS 35 7.038 -10.371 5.770 907 H VAL 36 H VAL 36 7.497 -7.034 7.112 908 HA VAL 36 HA VAL 36 8.026 -5.553 9.600 909 HB VAL 36 HB VAL 36 5.614 -6.012 9.114 910 1HG1 VAL 36 1HG1 VAL 36 6.423 -8.881 9.505 911 2HG1 VAL 36 2HG1 VAL 36 5.795 -8.149 8.027 912 3HG1 VAL 36 3HG1 VAL 36 4.762 -8.290 9.450 913 1HG2 VAL 36 1HG2 VAL 36 6.715 -7.332 11.586 914 2HG2 VAL 36 2HG2 VAL 36 5.052 -6.786 11.358 915 3HG2 VAL 36 3HG2 VAL 36 6.369 -5.612 11.386 916 H GLU 37 H GLU 37 8.531 -7.040 11.463 917 HA GLU 37 HA GLU 37 10.431 -9.058 10.562 918 1HB GLU 37 2HB GLU 37 11.212 -8.795 12.990 919 2HB GLU 37 1HB GLU 37 11.518 -7.471 11.883 920 1HG GLU 37 2HG GLU 37 9.556 -6.304 12.778 921 2HG GLU 37 1HG GLU 37 9.298 -7.629 13.912 922 HA PRO 38 HA PRO 38 8.047 -12.292 12.473 923 1HB PRO 38 2HB PRO 38 9.848 -14.243 12.566 924 2HB PRO 38 1HB PRO 38 9.333 -13.566 11.015 925 1HG PRO 38 2HG PRO 38 11.832 -13.064 12.570 926 2HG PRO 38 1HG PRO 38 11.617 -13.233 10.820 927 1HD PRO 38 2HD PRO 38 11.810 -10.818 12.210 928 2HD PRO 38 1HD PRO 38 11.168 -11.018 10.570 929 H ILE 39 H ILE 39 8.316 -14.069 14.237 930 HA ILE 39 HA ILE 39 9.523 -12.866 16.632 931 HB ILE 39 HB ILE 39 7.732 -14.066 17.884 932 1HG1 ILE 39 2HG1 ILE 39 6.463 -14.352 15.158 933 2HG1 ILE 39 1HG1 ILE 39 7.118 -15.676 16.113 934 1HG2 ILE 39 1HG2 ILE 39 7.624 -11.678 17.504 935 2HG2 ILE 39 2HG2 ILE 39 6.008 -12.382 17.430 936 3HG2 ILE 39 3HG2 ILE 39 6.849 -11.947 15.941 937 1HD1 ILE 39 1HD1 ILE 39 4.705 -15.582 16.280 938 2HD1 ILE 39 2HD1 ILE 39 4.799 -13.925 16.876 939 3HD1 ILE 39 3HD1 ILE 39 5.454 -15.247 17.842 940 H ASP 40 H ASP 40 9.852 -14.528 18.414 941 HA ASP 40 HA ASP 40 10.720 -17.128 17.318 942 1HB ASP 40 2HB ASP 40 12.584 -15.413 17.887 943 2HB ASP 40 1HB ASP 40 12.169 -15.727 19.565 944 H LEU 41 H LEU 41 11.385 -18.418 19.656 945 HA LEU 41 HA LEU 41 8.881 -18.288 21.205 946 1HB LEU 41 2HB LEU 41 8.713 -20.683 21.250 947 2HB LEU 41 1HB LEU 41 8.816 -20.163 19.582 948 HG LEU 41 HG LEU 41 11.202 -21.208 21.104 949 1HD1 LEU 41 1HD1 LEU 41 9.436 -22.904 21.080 950 2HD1 LEU 41 2HD1 LEU 41 10.800 -23.359 20.057 951 3HD1 LEU 41 3HD1 LEU 41 9.315 -22.745 19.328 952 1HD2 LEU 41 1HD2 LEU 41 12.109 -21.605 18.881 953 2HD2 LEU 41 2HD2 LEU 41 11.679 -19.905 19.075 954 3HD2 LEU 41 3HD2 LEU 41 10.631 -20.980 18.148 955 H GLY 42 H GLY 42 9.116 -19.682 23.293 956 1HA GLY 42 2HA GLY 42 11.877 -19.491 24.308 957 2HA GLY 42 1HA GLY 42 10.542 -18.809 25.227 958 H GLU 43 H GLU 43 10.917 -20.172 26.983 959 HA GLU 43 HA GLU 43 10.587 -23.041 26.555 960 1HB GLU 43 2HB GLU 43 11.360 -23.267 28.865 961 2HB GLU 43 1HB GLU 43 12.495 -22.315 27.933 962 1HG GLU 43 2HG GLU 43 11.829 -20.315 28.986 963 2HG GLU 43 1HG GLU 43 10.398 -21.073 29.685 964 HA PRO 44 HA PRO 44 6.518 -23.122 28.494 965 1HB PRO 44 2HB PRO 44 6.757 -24.921 30.535 966 2HB PRO 44 1HB PRO 44 6.617 -25.393 28.838 967 1HG PRO 44 2HG PRO 44 9.065 -25.162 30.547 968 2HG PRO 44 1HG PRO 44 8.623 -26.429 29.385 969 1HD PRO 44 2HD PRO 44 10.374 -24.481 28.764 970 2HD PRO 44 1HD PRO 44 9.256 -25.154 27.560 971 H VAL 45 H VAL 45 5.732 -23.425 31.113 972 HA VAL 45 HA VAL 45 6.424 -20.884 32.246 973 HB VAL 45 HB VAL 45 4.956 -23.032 33.745 974 1HG1 VAL 45 1HG1 VAL 45 5.501 -20.955 34.906 975 2HG1 VAL 45 2HG1 VAL 45 3.758 -21.161 34.726 976 3HG1 VAL 45 3HG1 VAL 45 4.628 -20.037 33.678 977 1HG2 VAL 45 1HG2 VAL 45 2.850 -22.273 32.690 978 2HG2 VAL 45 2HG2 VAL 45 3.945 -23.051 31.546 979 3HG2 VAL 45 3HG2 VAL 45 3.797 -21.294 31.567 980 H SER 46 H SER 46 7.452 -20.562 34.277 981 HA SER 46 HA SER 46 9.498 -22.540 34.857 982 1HB SER 46 2HB SER 46 9.124 -19.756 35.981 983 2HB SER 46 1HB SER 46 10.568 -20.754 36.096 984 HG SER 46 HG SER 46 10.413 -20.690 33.648 985 H VAL 47 H VAL 47 10.041 -22.675 37.322 986 HA VAL 47 HA VAL 47 7.526 -23.216 38.752 987 HB VAL 47 HB VAL 47 8.983 -25.169 38.430 988 1HG1 VAL 47 1HG1 VAL 47 11.140 -25.337 39.576 989 2HG1 VAL 47 2HG1 VAL 47 11.012 -23.643 40.053 990 3HG1 VAL 47 3HG1 VAL 47 11.145 -24.074 38.348 991 1HG2 VAL 47 1HG2 VAL 47 8.837 -24.271 41.297 992 2HG2 VAL 47 2HG2 VAL 47 9.071 -25.928 40.744 993 3HG2 VAL 47 3HG2 VAL 47 7.561 -25.088 40.392 994 H GLU 48 H GLU 48 7.156 -22.349 40.762 995 HA GLU 48 HA GLU 48 9.176 -20.498 41.784 996 1HB GLU 48 2HB GLU 48 6.994 -19.150 42.513 997 2HB GLU 48 1HB GLU 48 7.784 -18.894 40.968 998 1HG GLU 48 2HG GLU 48 5.632 -19.071 40.270 999 2HG GLU 48 1HG GLU 48 6.104 -20.765 40.183 1000 H GLU 49 H GLU 49 7.750 -19.638 44.051 1001 HA GLU 49 HA GLU 49 8.655 -21.726 45.749 1002 1HB GLU 49 2HB GLU 49 7.206 -19.173 46.448 1003 2HB GLU 49 1HB GLU 49 8.063 -20.205 47.582 1004 1HG GLU 49 2HG GLU 49 10.162 -19.732 46.447 1005 2HG GLU 49 1HG GLU 49 9.308 -18.728 45.276 1006 H ILE 50 H ILE 50 5.540 -20.881 44.557 1007 HA ILE 50 HA ILE 50 4.221 -22.129 46.840 1008 HB ILE 50 HB ILE 50 2.861 -20.715 44.539 1009 1HG1 ILE 50 2HG1 ILE 50 2.597 -18.875 46.391 1010 2HG1 ILE 50 1HG1 ILE 50 4.033 -19.621 47.081 1011 1HG2 ILE 50 1HG2 ILE 50 0.989 -20.499 46.110 1012 2HG2 ILE 50 2HG2 ILE 50 1.913 -21.387 47.321 1013 3HG2 ILE 50 3HG2 ILE 50 1.416 -22.188 45.832 1014 1HD1 ILE 50 1HD1 ILE 50 4.602 -17.701 45.717 1015 2HD1 ILE 50 2HD1 ILE 50 3.806 -18.435 44.326 1016 3HD1 ILE 50 3HD1 ILE 50 5.248 -19.181 45.011 1017 H LYS 51 H LYS 51 5.175 -22.800 43.674 1018 HA LYS 51 HA LYS 51 3.294 -24.944 43.254 1019 1HB LYS 51 2HB LYS 51 5.730 -24.019 41.731 1020 2HB LYS 51 1HB LYS 51 4.657 -25.292 41.216 1021 1HG LYS 51 2HG LYS 51 3.921 -22.410 41.585 1022 2HG LYS 51 1HG LYS 51 4.170 -23.233 40.045 1023 1HD LYS 51 2HD LYS 51 2.266 -24.663 40.462 1024 2HD LYS 51 1HD LYS 51 2.054 -23.960 42.068 1025 1HE LYS 51 2HE LYS 51 1.867 -22.438 39.475 1026 2HE LYS 51 1HE LYS 51 0.489 -23.053 40.380 1027 1HZ LYS 51 1HZ LYS 51 2.456 -21.033 41.350 1028 2HZ LYS 51 2HZ LYS 51 1.166 -21.659 42.256 1029 3HZ LYS 51 3HZ LYS 51 0.854 -20.735 40.867 1030 H LYS 52 H LYS 52 3.667 -27.020 43.747 1031 HA LYS 52 HA LYS 52 6.393 -27.847 44.423 1032 1HB LYS 52 2HB LYS 52 4.041 -27.816 46.132 1033 2HB LYS 52 1HB LYS 52 4.718 -29.428 45.985 1034 1HG LYS 52 2HG LYS 52 5.632 -28.236 47.914 1035 2HG LYS 52 1HG LYS 52 6.887 -28.612 46.734 1036 1HD LYS 52 2HD LYS 52 6.661 -26.305 45.847 1037 2HD LYS 52 1HD LYS 52 5.524 -25.957 47.149 1038 1HE LYS 52 2HE LYS 52 7.210 -26.308 48.807 1039 2HE LYS 52 1HE LYS 52 8.344 -26.916 47.601 1040 1HZ LYS 52 1HZ LYS 52 8.801 -24.604 48.232 1041 2HZ LYS 52 2HZ LYS 52 7.269 -24.142 47.674 1042 3HZ LYS 52 3HZ LYS 52 8.419 -24.745 46.587 1043 H ILE 53 H ILE 53 6.998 -29.788 43.625 1044 HA ILE 53 HA ILE 53 5.154 -30.989 41.700 1045 HB ILE 53 HB ILE 53 8.125 -31.461 42.039 1046 1HG1 ILE 53 2HG1 ILE 53 8.119 -30.262 39.733 1047 2HG1 ILE 53 1HG1 ILE 53 6.543 -29.653 40.226 1048 1HG2 ILE 53 1HG2 ILE 53 7.035 -33.393 41.070 1049 2HG2 ILE 53 2HG2 ILE 53 7.969 -32.554 39.830 1050 3HG2 ILE 53 3HG2 ILE 53 6.215 -32.372 39.890 1051 1HD1 ILE 53 1HD1 ILE 53 7.569 -28.621 42.188 1052 2HD1 ILE 53 2HD1 ILE 53 8.274 -28.035 40.683 1053 3HD1 ILE 53 3HD1 ILE 53 9.147 -29.211 41.667 1054 H ARG 54 H ARG 54 7.134 -31.792 44.497 1055 HA ARG 54 HA ARG 54 6.391 -34.578 44.451 1056 1HB ARG 54 2HB ARG 54 8.554 -34.019 45.346 1057 2HB ARG 54 1HB ARG 54 7.845 -32.882 46.486 1058 1HG ARG 54 2HG ARG 54 6.737 -34.745 47.635 1059 2HG ARG 54 1HG ARG 54 7.492 -35.873 46.508 1060 1HD ARG 54 2HD ARG 54 9.676 -35.300 47.301 1061 2HD ARG 54 1HD ARG 54 9.024 -33.984 48.280 1062 HE ARG 54 HE ARG 54 7.753 -35.978 49.390 1063 1HH1 ARG 54 1HH1 ARG 54 11.070 -35.921 48.280 1064 2HH1 ARG 54 2HH1 ARG 54 11.626 -37.066 49.473 1065 1HH2 ARG 54 1HH2 ARG 54 8.478 -37.432 51.001 1066 2HH2 ARG 54 2HH2 ARG 54 10.152 -37.897 51.048 1067 H ASP 55 H ASP 55 4.754 -35.536 45.492 1068 HA ASP 55 HA ASP 55 3.019 -33.846 47.156 1069 1HB ASP 55 2HB ASP 55 1.206 -35.296 46.641 1070 2HB ASP 55 1HB ASP 55 2.041 -35.024 45.119 1071 H GLY 56 H GLY 56 1.872 -35.154 48.914 1072 1HA GLY 56 2HA GLY 56 3.159 -37.416 50.033 1073 2HA GLY 56 1HA GLY 56 3.719 -35.945 50.820 1074 H THR 57 H THR 57 2.484 -37.674 52.410 1075 HA THR 57 HA THR 57 0.114 -36.234 53.185 1076 HB THR 57 HB THR 57 -0.814 -37.862 51.576 1077 HG1 THR 57 HG1 THR 57 -2.237 -38.957 53.205 1078 1HG2 THR 57 1HG2 THR 57 0.306 -39.951 53.446 1079 2HG2 THR 57 2HG2 THR 57 0.874 -39.616 51.810 1080 3HG2 THR 57 3HG2 THR 57 -0.749 -40.257 52.066 1081 H TRP 58 H TRP 58 -0.720 -37.059 55.286 1082 HA TRP 58 HA TRP 58 1.491 -37.990 56.947 1083 1HB TRP 58 2HB TRP 58 0.112 -35.995 57.611 1084 2HB TRP 58 1HB TRP 58 -1.268 -37.068 57.800 1085 HD1 TRP 58 HD1 TRP 58 2.295 -36.648 59.262 1086 HE1 TRP 58 HE1 TRP 58 2.233 -37.381 61.730 1087 HE3 TRP 58 HE3 TRP 58 -2.551 -38.222 59.502 1088 HZ2 TRP 58 HZ2 TRP 58 0.360 -38.474 63.539 1089 HZ3 TRP 58 HZ3 TRP 58 -3.403 -39.098 61.634 1090 HH2 TRP 58 HH2 TRP 58 -1.978 -39.222 63.608 1091 H MET 59 H MET 59 1.504 -39.949 57.925 1092 HA MET 59 HA MET 59 -0.766 -41.742 57.382 1093 1HB MET 59 2HB MET 59 0.927 -42.060 55.625 1094 2HB MET 59 1HB MET 59 2.151 -42.351 56.850 1095 1HG MET 59 2HG MET 59 0.853 -44.336 57.591 1096 2HG MET 59 1HG MET 59 -0.239 -44.072 56.231 1097 1HE MET 59 1HE MET 59 1.824 -47.226 55.132 1098 2HE MET 59 2HE MET 59 0.215 -46.572 55.440 1099 3HE MET 59 3HE MET 59 1.339 -46.816 56.777 1100 H SER 60 H SER 60 -1.233 -43.147 58.938 1101 HA SER 60 HA SER 60 -1.242 -44.326 60.827 1102 1HB SER 60 2HB SER 60 1.740 -43.890 60.906 1103 2HB SER 60 1HB SER 60 0.814 -45.147 61.709 1104 HG SER 60 HG SER 60 0.111 -45.487 59.296 1105 H SER 61 H SER 61 -2.087 -43.620 62.617 1106 HA SER 61 HA SER 61 -1.015 -41.177 63.851 1107 1HB SER 61 2HB SER 61 -3.412 -41.145 63.191 1108 2HB SER 61 1HB SER 61 -3.705 -42.519 64.254 1109 HG SER 61 HG SER 61 -3.503 -39.863 64.853 1110 H LEU 62 H LEU 62 -0.581 -44.342 64.063 1111 HA LEU 62 HA LEU 62 -0.209 -45.941 65.591 1112 1HB LEU 62 2HB LEU 62 0.757 -43.546 67.148 1113 2HB LEU 62 1HB LEU 62 1.019 -45.205 67.621 1114 HG LEU 62 HG LEU 62 2.199 -45.482 65.354 1115 1HD1 LEU 62 1HD1 LEU 62 2.273 -42.481 65.591 1116 2HD1 LEU 62 2HD1 LEU 62 1.454 -43.406 64.335 1117 3HD1 LEU 62 3HD1 LEU 62 3.212 -43.452 64.457 1118 1HD2 LEU 62 1HD2 LEU 62 3.364 -45.538 67.468 1119 2HD2 LEU 62 2HD2 LEU 62 3.392 -43.776 67.529 1120 3HD2 LEU 62 3HD2 LEU 62 4.305 -44.630 66.285 1121 H GLU 63 H GLU 63 -2.398 -46.440 65.785 1122 HA GLU 63 HA GLU 63 -4.126 -45.033 67.555 1123 1HB GLU 63 2HB GLU 63 -4.567 -46.583 65.430 1124 2HB GLU 63 1HB GLU 63 -4.748 -47.810 66.673 1125 1HG GLU 63 2HG GLU 63 -6.271 -45.222 66.683 1126 2HG GLU 63 1HG GLU 63 -6.858 -46.688 65.902 1127 H HIS 64 H HIS 64 -4.759 -45.517 69.597 1128 HA HIS 64 HA HIS 64 -2.971 -47.293 71.050 1129 1HB HIS 64 2HB HIS 64 -3.945 -46.211 73.091 1130 2HB HIS 64 1HB HIS 64 -3.125 -45.105 72.001 1131 HD1 HIS 64 HD1 HIS 64 -4.694 -43.515 70.552 1132 HD2 HIS 64 HD2 HIS 64 -6.571 -45.597 73.630 1133 HE1 HIS 64 HE1 HIS 64 -6.898 -42.358 70.914 1134 HE2 HIS 64 HE2 HIS 64 -7.917 -43.503 72.916 1135 H HIS 65 H HIS 65 -4.034 -49.134 70.036 1136 HA HIS 65 HA HIS 65 -6.699 -49.828 70.788 1137 1HB HIS 65 2HB HIS 65 -4.752 -50.823 68.991 1138 2HB HIS 65 1HB HIS 65 -5.129 -52.138 70.098 1139 HD1 HIS 65 HD1 HIS 65 -7.282 -49.546 68.286 1140 HD2 HIS 65 HD2 HIS 65 -7.067 -53.649 68.988 1141 HE1 HIS 65 HE1 HIS 65 -9.252 -50.549 67.090 1142 HE2 HIS 65 HE2 HIS 65 -8.965 -53.040 67.336 1143 H HIS 66 H HIS 66 -7.390 -50.886 72.543 1144 HA HIS 66 HA HIS 66 -5.426 -51.172 74.680 1145 1HB HIS 66 2HB HIS 66 -7.416 -49.733 75.019 1146 2HB HIS 66 1HB HIS 66 -8.450 -51.139 74.805 1147 HD1 HIS 66 HD1 HIS 66 -9.148 -52.229 76.896 1148 HD2 HIS 66 HD2 HIS 66 -5.571 -50.152 77.361 1149 HE1 HIS 66 HE1 HIS 66 -8.575 -52.394 79.341 1150 HE2 HIS 66 HE2 HIS 66 -6.484 -51.019 79.626 1151 H HIS 67 H HIS 67 -4.973 -53.034 75.694 1152 HA HIS 67 HA HIS 67 -5.914 -55.542 74.623 1153 1HB HIS 67 2HB HIS 67 -4.234 -54.955 77.076 1154 2HB HIS 67 1HB HIS 67 -4.512 -56.553 76.396 1155 HD1 HIS 67 HD1 HIS 67 -2.147 -53.866 76.368 1156 HD2 HIS 67 HD2 HIS 67 -3.442 -56.696 73.606 1157 HE1 HIS 67 HE1 HIS 67 -0.357 -53.966 74.605 1158 HE2 HIS 67 HE2 HIS 67 -1.036 -55.882 73.117 1159 H HIS 68 H HIS 68 -6.054 -57.000 77.125 1160 HA HIS 68 HA HIS 68 -8.225 -55.723 78.575 1161 1HB HIS 68 2HB HIS 68 -9.129 -57.205 76.645 1162 2HB HIS 68 1HB HIS 68 -8.640 -58.556 77.664 1163 HD1 HIS 68 HD1 HIS 68 -11.552 -56.844 76.875 1164 HD2 HIS 68 HD2 HIS 68 -9.793 -57.887 80.502 1165 HE1 HIS 68 HE1 HIS 68 -13.395 -56.744 78.584 1166 HE2 HIS 68 HE2 HIS 68 -12.271 -57.212 80.785 1167 H HIS 69 H HIS 69 -6.789 -55.601 80.292 1168 HA HIS 69 HA HIS 69 -6.380 -58.172 81.655 1169 1HB HIS 69 2HB HIS 69 -4.229 -57.193 80.755 1170 2HB HIS 69 1HB HIS 69 -4.477 -55.821 81.829 1171 HD1 HIS 69 HD1 HIS 69 -3.164 -59.244 81.720 1172 HD2 HIS 69 HD2 HIS 69 -4.331 -56.519 84.640 1173 HE1 HIS 69 HE1 HIS 69 -2.238 -60.127 83.886 1174 HE2 HIS 69 HE2 HIS 69 -3.007 -58.502 85.652 Start of MODEL 6 1 1H MET 1 1H MET 1 -4.239 9.659 7.385 2 2H MET 1 2H MET 1 -2.743 9.064 7.906 3 3H MET 1 3H MET 1 -3.895 9.564 9.045 4 HA MET 1 HA MET 1 -3.811 7.179 8.950 5 1HB MET 1 2HB MET 1 -6.327 8.066 7.532 6 2HB MET 1 1HB MET 1 -6.136 6.714 8.633 7 1HG MET 1 2HG MET 1 -7.253 8.294 9.897 8 2HG MET 1 1HG MET 1 -5.572 8.480 10.400 9 1HE MET 1 1HE MET 1 -8.499 9.942 8.235 10 2HE MET 1 2HE MET 1 -7.234 9.688 7.037 11 3HE MET 1 3HE MET 1 -7.728 11.327 7.465 12 HA PRO 2 HA PRO 2 -2.850 5.650 4.823 13 1HB PRO 2 2HB PRO 2 -2.375 3.085 6.099 14 2HB PRO 2 1HB PRO 2 -1.213 4.174 5.340 15 1HG PRO 2 2HG PRO 2 -1.292 3.694 8.028 16 2HG PRO 2 1HG PRO 2 -0.685 5.197 7.311 17 1HD PRO 2 2HD PRO 2 -3.347 4.640 8.566 18 2HD PRO 2 1HD PRO 2 -2.323 6.087 8.687 19 H LYS 3 H LYS 3 -4.746 5.433 3.730 20 HA LYS 3 HA LYS 3 -6.847 3.731 4.781 21 1HB LYS 3 2HB LYS 3 -7.338 5.917 3.677 22 2HB LYS 3 1HB LYS 3 -6.798 5.230 2.155 23 1HG LYS 3 2HG LYS 3 -8.576 3.490 2.412 24 2HG LYS 3 1HG LYS 3 -9.164 4.380 3.814 25 1HD LYS 3 2HD LYS 3 -10.506 5.103 2.031 26 2HD LYS 3 1HD LYS 3 -9.328 6.393 2.267 27 1HE LYS 3 2HE LYS 3 -8.002 5.561 0.415 28 2HE LYS 3 1HE LYS 3 -9.108 4.206 0.202 29 1HZ LYS 3 1HZ LYS 3 -9.715 5.798 -1.395 30 2HZ LYS 3 2HZ LYS 3 -9.625 7.080 -0.300 31 3HZ LYS 3 3HZ LYS 3 -10.883 5.943 -0.174 32 H ILE 4 H ILE 4 -7.618 1.893 3.830 33 HA ILE 4 HA ILE 4 -5.705 0.456 2.215 34 HB ILE 4 HB ILE 4 -6.855 -1.513 2.804 35 1HG1 ILE 4 2HG1 ILE 4 -9.170 -0.573 2.551 36 2HG1 ILE 4 1HG1 ILE 4 -8.941 -1.657 3.902 37 1HG2 ILE 4 1HG2 ILE 4 -6.784 -1.454 5.256 38 2HG2 ILE 4 2HG2 ILE 4 -6.708 0.308 5.190 39 3HG2 ILE 4 3HG2 ILE 4 -5.398 -0.662 4.514 40 1HD1 ILE 4 1HD1 ILE 4 -9.282 1.317 3.957 41 2HD1 ILE 4 2HD1 ILE 4 -8.683 0.411 5.345 42 3HD1 ILE 4 3HD1 ILE 4 -10.293 0.080 4.707 43 H ILE 5 H ILE 5 -6.098 -0.348 0.235 44 HA ILE 5 HA ILE 5 -8.561 0.490 -1.124 45 HB ILE 5 HB ILE 5 -6.111 -0.753 -2.384 46 1HG1 ILE 5 2HG1 ILE 5 -5.431 1.317 -1.246 47 2HG1 ILE 5 1HG1 ILE 5 -5.382 1.516 -2.996 48 1HG2 ILE 5 1HG2 ILE 5 -6.946 0.191 -4.446 49 2HG2 ILE 5 2HG2 ILE 5 -8.283 0.948 -3.583 50 3HG2 ILE 5 3HG2 ILE 5 -8.192 -0.809 -3.696 51 1HD1 ILE 5 1HD1 ILE 5 -7.548 2.505 -1.153 52 2HD1 ILE 5 2HD1 ILE 5 -7.524 2.696 -2.906 53 3HD1 ILE 5 3HD1 ILE 5 -6.293 3.481 -1.918 54 H GLU 6 H GLU 6 -9.691 -1.135 -2.382 55 HA GLU 6 HA GLU 6 -9.186 -3.873 -1.468 56 1HB GLU 6 2HB GLU 6 -11.800 -2.567 -2.242 57 2HB GLU 6 1HB GLU 6 -11.601 -4.278 -1.914 58 1HG GLU 6 2HG GLU 6 -10.707 -3.534 0.372 59 2HG GLU 6 1HG GLU 6 -11.432 -1.976 -0.015 60 H ALA 7 H ALA 7 -9.248 -5.503 -3.010 61 HA ALA 7 HA ALA 7 -9.714 -4.745 -5.783 62 1HB ALA 7 1HB ALA 7 -7.559 -5.597 -6.517 63 2HB ALA 7 2HB ALA 7 -7.111 -5.956 -4.849 64 3HB ALA 7 3HB ALA 7 -7.334 -4.284 -5.359 65 H VAL 8 H VAL 8 -9.651 -6.644 -7.200 66 HA VAL 8 HA VAL 8 -10.139 -9.191 -5.808 67 HB VAL 8 HB VAL 8 -11.344 -9.332 -8.359 68 1HG1 VAL 8 1HG1 VAL 8 -11.998 -10.578 -6.377 69 2HG1 VAL 8 2HG1 VAL 8 -13.378 -9.715 -7.052 70 3HG1 VAL 8 3HG1 VAL 8 -12.566 -9.093 -5.615 71 1HG2 VAL 8 1HG2 VAL 8 -11.450 -6.901 -8.431 72 2HG2 VAL 8 2HG2 VAL 8 -12.209 -6.870 -6.840 73 3HG2 VAL 8 3HG2 VAL 8 -13.066 -7.572 -8.211 74 H TYR 9 H TYR 9 -8.702 -10.649 -6.268 75 HA TYR 9 HA TYR 9 -6.822 -10.389 -8.452 76 1HB TYR 9 2HB TYR 9 -6.143 -11.272 -6.262 77 2HB TYR 9 1HB TYR 9 -7.308 -12.579 -6.397 78 HD1 TYR 9 HD1 TYR 9 -6.740 -14.593 -7.482 79 HD2 TYR 9 HD2 TYR 9 -4.170 -11.219 -7.825 80 HE1 TYR 9 HE1 TYR 9 -5.001 -16.028 -8.459 81 HE2 TYR 9 HE2 TYR 9 -2.423 -12.644 -8.798 82 HH TYR 9 HH TYR 9 -3.005 -15.782 -9.913 83 H GLU 10 H GLU 10 -7.790 -10.594 -10.352 84 HA GLU 10 HA GLU 10 -9.197 -13.113 -10.918 85 1HB GLU 10 2HB GLU 10 -9.629 -10.332 -11.968 86 2HB GLU 10 1HB GLU 10 -10.177 -11.735 -12.854 87 1HG GLU 10 2HG GLU 10 -11.467 -12.386 -10.791 88 2HG GLU 10 1HG GLU 10 -11.074 -10.789 -10.151 89 H ASN 11 H ASN 11 -8.397 -14.312 -12.522 90 HA ASN 11 HA ASN 11 -7.171 -15.033 -14.275 91 1HB ASN 11 2HB ASN 11 -7.062 -12.090 -14.958 92 2HB ASN 11 1HB ASN 11 -6.587 -13.392 -16.034 93 1HD2 ASN 11 1HD2 ASN 11 -9.186 -11.671 -14.596 94 2HD2 ASN 11 2HD2 ASN 11 -10.479 -12.389 -15.494 95 H GLY 12 H GLY 12 -5.876 -14.101 -11.707 96 1HA GLY 12 2HA GLY 12 -3.672 -14.386 -10.994 97 2HA GLY 12 1HA GLY 12 -3.149 -14.313 -12.672 98 H VAL 13 H VAL 13 -5.277 -11.822 -11.870 99 HA VAL 13 HA VAL 13 -3.013 -9.952 -11.463 100 HB VAL 13 HB VAL 13 -5.572 -9.334 -12.910 101 1HG1 VAL 13 1HG1 VAL 13 -4.311 -7.438 -13.815 102 2HG1 VAL 13 2HG1 VAL 13 -2.922 -7.917 -12.839 103 3HG1 VAL 13 3HG1 VAL 13 -4.417 -7.404 -12.055 104 1HG2 VAL 13 1HG2 VAL 13 -4.449 -11.087 -14.171 105 2HG2 VAL 13 2HG2 VAL 13 -2.948 -10.160 -14.151 106 3HG2 VAL 13 3HG2 VAL 13 -4.349 -9.552 -15.035 107 H PHE 14 H PHE 14 -3.419 -8.203 -10.029 108 HA PHE 14 HA PHE 14 -5.889 -8.435 -8.475 109 1HB PHE 14 2HB PHE 14 -3.358 -6.864 -8.014 110 2HB PHE 14 1HB PHE 14 -4.773 -6.734 -6.990 111 HD1 PHE 14 HD1 PHE 14 -1.754 -8.537 -7.635 112 HD2 PHE 14 HD2 PHE 14 -5.596 -8.830 -5.830 113 HE1 PHE 14 HE1 PHE 14 -0.971 -10.444 -6.290 114 HE2 PHE 14 HE2 PHE 14 -4.820 -10.735 -4.483 115 HZ PHE 14 HZ PHE 14 -2.508 -11.549 -4.706 116 H LYS 15 H LYS 15 -7.562 -7.299 -9.165 117 HA LYS 15 HA LYS 15 -7.125 -4.669 -10.416 118 1HB LYS 15 2HB LYS 15 -9.477 -6.553 -10.569 119 2HB LYS 15 1HB LYS 15 -9.412 -4.976 -11.316 120 1HG LYS 15 2HG LYS 15 -7.526 -5.769 -12.714 121 2HG LYS 15 1HG LYS 15 -7.752 -7.379 -12.017 122 1HD LYS 15 2HD LYS 15 -9.832 -5.804 -13.544 123 2HD LYS 15 1HD LYS 15 -8.911 -7.172 -14.173 124 1HE LYS 15 2HE LYS 15 -10.055 -8.704 -12.896 125 2HE LYS 15 1HE LYS 15 -10.480 -7.525 -11.661 126 1HZ LYS 15 1HZ LYS 15 -12.071 -6.544 -13.195 127 2HZ LYS 15 2HZ LYS 15 -12.409 -8.181 -12.924 128 3HZ LYS 15 3HZ LYS 15 -11.676 -7.692 -14.378 129 HA PRO 16 HA PRO 16 -8.846 -3.361 -6.444 130 1HB PRO 16 2HB PRO 16 -8.932 -0.691 -7.067 131 2HB PRO 16 1HB PRO 16 -7.505 -1.522 -6.441 132 1HG PRO 16 2HG PRO 16 -8.197 -0.800 -9.255 133 2HG PRO 16 1HG PRO 16 -6.631 -0.712 -8.426 134 1HD PRO 16 2HD PRO 16 -7.228 -2.705 -10.120 135 2HD PRO 16 1HD PRO 16 -6.229 -2.975 -8.679 136 H LEU 17 H LEU 17 -10.688 -2.201 -5.734 137 HA LEU 17 HA LEU 17 -12.891 -2.054 -7.678 138 1HB LEU 17 2HB LEU 17 -12.946 -2.221 -4.655 139 2HB LEU 17 1HB LEU 17 -14.360 -2.140 -5.688 140 HG LEU 17 HG LEU 17 -12.357 -4.400 -5.736 141 1HD1 LEU 17 1HD1 LEU 17 -13.548 -4.278 -3.589 142 2HD1 LEU 17 2HD1 LEU 17 -14.020 -5.690 -4.534 143 3HD1 LEU 17 3HD1 LEU 17 -15.084 -4.286 -4.454 144 1HD2 LEU 17 1HD2 LEU 17 -14.092 -5.558 -7.012 145 2HD2 LEU 17 2HD2 LEU 17 -13.562 -4.090 -7.834 146 3HD2 LEU 17 3HD2 LEU 17 -15.096 -4.110 -6.964 147 H GLN 18 H GLN 18 -10.794 -0.429 -5.602 148 HA GLN 18 HA GLN 18 -12.320 2.080 -5.754 149 1HB GLN 18 2HB GLN 18 -10.001 1.193 -4.072 150 2HB GLN 18 1HB GLN 18 -10.346 2.900 -4.282 151 1HG GLN 18 2HG GLN 18 -12.560 2.582 -3.329 152 2HG GLN 18 1HG GLN 18 -12.241 0.856 -3.147 153 1HE2 GLN 18 1HE2 GLN 18 -10.995 0.148 -1.470 154 2HE2 GLN 18 2HE2 GLN 18 -10.411 1.170 -0.204 155 H LYS 19 H LYS 19 -11.495 3.865 -6.780 156 HA LYS 19 HA LYS 19 -9.550 3.317 -8.835 157 1HB LYS 19 2HB LYS 19 -11.613 4.526 -9.343 158 2HB LYS 19 1HB LYS 19 -11.149 5.794 -8.226 159 1HG LYS 19 2HG LYS 19 -9.288 6.398 -9.626 160 2HG LYS 19 1HG LYS 19 -9.633 5.041 -10.700 161 1HD LYS 19 2HD LYS 19 -11.775 6.002 -11.288 162 2HD LYS 19 1HD LYS 19 -11.522 7.321 -10.144 163 1HE LYS 19 2HE LYS 19 -9.611 8.095 -11.445 164 2HE LYS 19 1HE LYS 19 -9.829 6.759 -12.577 165 1HZ LYS 19 1HZ LYS 19 -11.911 7.641 -13.266 166 2HZ LYS 19 2HZ LYS 19 -10.795 8.919 -13.317 167 3HZ LYS 19 3HZ LYS 19 -11.903 8.811 -12.038 168 H VAL 20 H VAL 20 -7.521 3.834 -8.720 169 HA VAL 20 HA VAL 20 -6.585 5.770 -6.716 170 HB VAL 20 HB VAL 20 -4.989 3.312 -7.186 171 1HG1 VAL 20 1HG1 VAL 20 -4.104 3.809 -4.976 172 2HG1 VAL 20 2HG1 VAL 20 -5.260 5.130 -4.802 173 3HG1 VAL 20 3HG1 VAL 20 -3.999 5.223 -6.028 174 1HG2 VAL 20 1HG2 VAL 20 -7.171 2.429 -6.543 175 2HG2 VAL 20 2HG2 VAL 20 -7.204 3.505 -5.145 176 3HG2 VAL 20 3HG2 VAL 20 -6.005 2.214 -5.237 177 H ASP 21 H ASP 21 -5.125 7.065 -7.305 178 HA ASP 21 HA ASP 21 -3.958 6.717 -9.956 179 1HB ASP 21 2HB ASP 21 -5.056 8.842 -9.489 180 2HB ASP 21 1HB ASP 21 -3.990 9.100 -8.122 181 H LEU 22 H LEU 22 -2.656 5.166 -9.346 182 HA LEU 22 HA LEU 22 -0.276 5.958 -7.834 183 1HB LEU 22 2HB LEU 22 -1.395 3.251 -8.531 184 2HB LEU 22 1HB LEU 22 0.203 3.485 -7.870 185 HG LEU 22 HG LEU 22 -2.395 4.187 -6.512 186 1HD1 LEU 22 1HD1 LEU 22 -1.737 2.413 -4.941 187 2HD1 LEU 22 2HD1 LEU 22 -0.365 2.030 -5.982 188 3HD1 LEU 22 3HD1 LEU 22 -2.010 1.810 -6.577 189 1HD2 LEU 22 1HD2 LEU 22 -0.657 5.778 -5.911 190 2HD2 LEU 22 2HD2 LEU 22 0.447 4.455 -5.535 191 3HD2 LEU 22 3HD2 LEU 22 -1.000 4.700 -4.559 192 H LYS 23 H LYS 23 1.762 4.835 -8.741 193 HA LYS 23 HA LYS 23 1.777 5.307 -11.622 194 1HB LYS 23 2HB LYS 23 3.957 5.509 -9.552 195 2HB LYS 23 1HB LYS 23 4.246 5.625 -11.278 196 1HG LYS 23 2HG LYS 23 2.879 7.605 -11.424 197 2HG LYS 23 1HG LYS 23 2.435 7.449 -9.722 198 1HD LYS 23 2HD LYS 23 4.816 7.700 -9.122 199 2HD LYS 23 1HD LYS 23 5.190 7.969 -10.825 200 1HE LYS 23 2HE LYS 23 4.994 10.081 -9.573 201 2HE LYS 23 1HE LYS 23 3.792 9.947 -10.856 202 1HZ LYS 23 1HZ LYS 23 3.225 9.275 -8.019 203 2HZ LYS 23 2HZ LYS 23 2.107 9.454 -9.284 204 3HZ LYS 23 3HZ LYS 23 2.941 10.807 -8.692 205 H GLU 24 H GLU 24 3.197 3.974 -12.921 206 HA GLU 24 HA GLU 24 2.835 1.230 -12.390 207 1HB GLU 24 2HB GLU 24 4.694 2.517 -14.372 208 2HB GLU 24 1HB GLU 24 4.084 0.887 -14.421 209 1HG GLU 24 2HG GLU 24 2.654 1.784 -15.907 210 2HG GLU 24 1HG GLU 24 1.757 2.151 -14.438 211 H GLY 25 H GLY 25 3.914 0.071 -11.051 212 1HA GLY 25 2HA GLY 25 5.933 -0.927 -10.247 213 2HA GLY 25 1HA GLY 25 6.776 0.570 -10.619 214 H GLU 26 H GLU 26 3.747 1.070 -9.124 215 HA GLU 26 HA GLU 26 4.974 2.030 -6.721 216 1HB GLU 26 2HB GLU 26 2.350 2.156 -7.962 217 2HB GLU 26 1HB GLU 26 2.228 1.836 -6.233 218 1HG GLU 26 2HG GLU 26 3.522 4.163 -7.608 219 2HG GLU 26 1HG GLU 26 2.144 4.165 -6.516 220 H ARG 27 H ARG 27 5.062 1.078 -4.704 221 HA ARG 27 HA ARG 27 4.640 -1.800 -4.878 222 1HB ARG 27 2HB ARG 27 6.539 -0.234 -3.181 223 2HB ARG 27 1HB ARG 27 6.319 -1.970 -3.077 224 1HG ARG 27 2HG ARG 27 6.830 -1.992 -5.584 225 2HG ARG 27 1HG ARG 27 7.454 -0.360 -5.324 226 1HD ARG 27 2HD ARG 27 8.891 -1.274 -3.531 227 2HD ARG 27 1HD ARG 27 8.347 -2.887 -3.966 228 HE ARG 27 HE ARG 27 9.270 -2.179 -6.295 229 1HH1 ARG 27 1HH1 ARG 27 10.653 -1.394 -3.177 230 2HH1 ARG 27 2HH1 ARG 27 12.285 -1.382 -3.766 231 1HH2 ARG 27 1HH2 ARG 27 11.410 -2.127 -7.080 232 2HH2 ARG 27 2HH2 ARG 27 12.720 -1.795 -5.989 233 H VAL 28 H VAL 28 3.397 -2.822 -3.772 234 HA VAL 28 HA VAL 28 2.001 -1.601 -1.502 235 HB VAL 28 HB VAL 28 -0.148 -2.345 -2.419 236 1HG1 VAL 28 1HG1 VAL 28 -0.368 -0.673 -4.188 237 2HG1 VAL 28 2HG1 VAL 28 1.388 -0.579 -4.324 238 3HG1 VAL 28 3HG1 VAL 28 0.590 -0.056 -2.840 239 1HG2 VAL 28 1HG2 VAL 28 1.425 -3.070 -4.892 240 2HG2 VAL 28 2HG2 VAL 28 -0.332 -3.098 -4.739 241 3HG2 VAL 28 3HG2 VAL 28 0.656 -4.206 -3.785 242 H LYS 29 H LYS 29 0.817 -3.183 -0.214 243 HA LYS 29 HA LYS 29 1.826 -5.901 -0.616 244 1HB LYS 29 2HB LYS 29 1.239 -4.435 1.935 245 2HB LYS 29 1HB LYS 29 1.471 -6.167 1.852 246 1HG LYS 29 2HG LYS 29 3.711 -5.700 0.790 247 2HG LYS 29 1HG LYS 29 3.458 -4.011 1.232 248 1HD LYS 29 2HD LYS 29 3.194 -4.704 3.581 249 2HD LYS 29 1HD LYS 29 3.551 -6.362 3.115 250 1HE LYS 29 2HE LYS 29 5.404 -3.999 2.818 251 2HE LYS 29 1HE LYS 29 5.529 -5.268 4.034 252 1HZ LYS 29 1HZ LYS 29 5.834 -5.595 1.100 253 2HZ LYS 29 2HZ LYS 29 5.812 -6.881 2.191 254 3HZ LYS 29 3HZ LYS 29 7.056 -5.726 2.262 255 H ILE 30 H ILE 30 0.453 -7.554 -0.420 256 HA ILE 30 HA ILE 30 -2.431 -6.889 -0.469 257 HB ILE 30 HB ILE 30 -1.478 -9.406 -1.724 258 1HG1 ILE 30 2HG1 ILE 30 0.122 -7.652 -2.563 259 2HG1 ILE 30 1HG1 ILE 30 -0.845 -8.421 -3.813 260 1HG2 ILE 30 1HG2 ILE 30 -3.284 -8.893 -3.296 261 2HG2 ILE 30 2HG2 ILE 30 -3.556 -7.359 -2.465 262 3HG2 ILE 30 3HG2 ILE 30 -3.829 -8.884 -1.620 263 1HD1 ILE 30 1HD1 ILE 30 -0.661 -6.052 -4.202 264 2HD1 ILE 30 2HD1 ILE 30 -1.327 -5.722 -2.604 265 3HD1 ILE 30 3HD1 ILE 30 -2.333 -6.486 -3.836 266 H LYS 31 H LYS 31 -3.783 -8.216 0.684 267 HA LYS 31 HA LYS 31 -2.939 -10.866 1.283 268 1HB LYS 31 2HB LYS 31 -3.542 -10.710 3.637 269 2HB LYS 31 1HB LYS 31 -2.139 -9.737 3.268 270 1HG LYS 31 2HG LYS 31 -3.520 -7.750 3.255 271 2HG LYS 31 1HG LYS 31 -4.949 -8.726 3.575 272 1HD LYS 31 2HD LYS 31 -4.096 -7.661 5.604 273 2HD LYS 31 1HD LYS 31 -4.042 -9.414 5.708 274 1HE LYS 31 2HE LYS 31 -2.001 -8.368 6.600 275 2HE LYS 31 1HE LYS 31 -1.674 -9.408 5.216 276 1HZ LYS 31 1HZ LYS 31 -0.433 -7.387 4.997 277 2HZ LYS 31 2HZ LYS 31 -1.812 -6.438 5.200 278 3HZ LYS 31 3HZ LYS 31 -1.640 -7.397 3.814 279 H LEU 32 H LEU 32 -4.764 -12.096 2.156 280 HA LEU 32 HA LEU 32 -7.254 -11.234 0.938 281 1HB LEU 32 2HB LEU 32 -6.505 -13.790 2.355 282 2HB LEU 32 1HB LEU 32 -8.012 -13.505 1.517 283 HG LEU 32 HG LEU 32 -5.475 -13.197 -0.006 284 1HD1 LEU 32 1HD1 LEU 32 -6.762 -15.859 0.571 285 2HD1 LEU 32 2HD1 LEU 32 -5.194 -15.319 1.176 286 3HD1 LEU 32 3HD1 LEU 32 -5.439 -15.556 -0.556 287 1HD2 LEU 32 1HD2 LEU 32 -8.221 -14.226 -0.707 288 2HD2 LEU 32 2HD2 LEU 32 -6.881 -14.002 -1.832 289 3HD2 LEU 32 3HD2 LEU 32 -7.604 -12.605 -1.034 290 H GLU 33 H GLU 33 -8.707 -10.155 2.163 291 HA GLU 33 HA GLU 33 -7.719 -9.455 4.730 292 1HB GLU 33 2HB GLU 33 -8.964 -7.985 3.034 293 2HB GLU 33 1HB GLU 33 -10.420 -8.607 3.792 294 1HG GLU 33 2HG GLU 33 -9.694 -6.464 4.731 295 2HG GLU 33 1HG GLU 33 -9.709 -7.755 5.929 296 H LEU 34 H LEU 34 -8.623 -9.647 6.686 297 HA LEU 34 HA LEU 34 -9.603 -12.332 7.016 298 1HB LEU 34 2HB LEU 34 -9.084 -11.991 9.401 299 2HB LEU 34 1HB LEU 34 -7.721 -11.689 8.339 300 HG LEU 34 HG LEU 34 -8.680 -9.207 8.532 301 1HD1 LEU 34 1HD1 LEU 34 -9.356 -8.732 10.822 302 2HD1 LEU 34 2HD1 LEU 34 -9.327 -10.456 11.191 303 3HD1 LEU 34 3HD1 LEU 34 -10.496 -9.821 10.034 304 1HD2 LEU 34 1HD2 LEU 34 -6.848 -10.549 10.515 305 2HD2 LEU 34 2HD2 LEU 34 -6.953 -8.810 10.242 306 3HD2 LEU 34 3HD2 LEU 34 -6.380 -9.870 8.954 307 H LYS 35 H LYS 35 -11.182 -12.857 8.667 308 HA LYS 35 HA LYS 35 -13.475 -11.043 8.569 309 1HB LYS 35 2HB LYS 35 -13.233 -14.011 9.100 310 2HB LYS 35 1HB LYS 35 -14.718 -13.117 9.279 311 1HG LYS 35 2HG LYS 35 -14.834 -14.204 7.187 312 2HG LYS 35 1HG LYS 35 -14.537 -12.499 6.851 313 1HD LYS 35 2HD LYS 35 -12.181 -12.958 6.477 314 2HD LYS 35 1HD LYS 35 -12.420 -14.652 6.909 315 1HE LYS 35 2HE LYS 35 -13.846 -13.314 4.617 316 2HE LYS 35 1HE LYS 35 -12.300 -14.143 4.438 317 1HZ LYS 35 1HZ LYS 35 -14.780 -15.418 5.479 318 2HZ LYS 35 2HZ LYS 35 -13.307 -16.185 5.142 319 3HZ LYS 35 3HZ LYS 35 -14.233 -15.543 3.878 320 H VAL 36 H VAL 36 -14.776 -10.932 10.574 321 HA VAL 36 HA VAL 36 -13.132 -10.683 12.924 322 HB VAL 36 HB VAL 36 -16.142 -10.542 12.791 323 1HG1 VAL 36 1HG1 VAL 36 -15.215 -10.736 15.034 324 2HG1 VAL 36 2HG1 VAL 36 -15.938 -9.149 14.778 325 3HG1 VAL 36 3HG1 VAL 36 -14.185 -9.333 14.734 326 1HG2 VAL 36 1HG2 VAL 36 -15.914 -8.122 12.516 327 2HG2 VAL 36 2HG2 VAL 36 -15.203 -8.994 11.156 328 3HG2 VAL 36 3HG2 VAL 36 -14.165 -8.301 12.404 329 H GLU 37 H GLU 37 -13.094 -12.064 14.677 330 HA GLU 37 HA GLU 37 -13.674 -14.775 14.168 331 1HB GLU 37 2HB GLU 37 -12.819 -13.302 16.657 332 2HB GLU 37 1HB GLU 37 -13.007 -15.041 16.584 333 1HG GLU 37 2HG GLU 37 -11.350 -15.088 14.729 334 2HG GLU 37 1HG GLU 37 -11.097 -13.364 14.995 335 HA PRO 38 HA PRO 38 -17.968 -14.573 15.121 336 1HB PRO 38 2HB PRO 38 -17.821 -17.513 15.100 337 2HB PRO 38 1HB PRO 38 -18.738 -16.424 14.054 338 1HG PRO 38 2HG PRO 38 -16.596 -17.757 13.153 339 2HG PRO 38 1HG PRO 38 -16.974 -16.115 12.601 340 1HD PRO 38 2HD PRO 38 -14.957 -17.015 14.625 341 2HD PRO 38 1HD PRO 38 -14.810 -15.789 13.352 342 H ILE 39 H ILE 39 -19.460 -16.162 16.484 343 HA ILE 39 HA ILE 39 -18.803 -15.503 19.159 344 HB ILE 39 HB ILE 39 -20.940 -16.564 19.721 345 1HG1 ILE 39 2HG1 ILE 39 -21.096 -17.278 16.785 346 2HG1 ILE 39 1HG1 ILE 39 -20.797 -18.427 18.085 347 1HG2 ILE 39 1HG2 ILE 39 -21.059 -14.801 17.284 348 2HG2 ILE 39 2HG2 ILE 39 -20.926 -14.262 18.959 349 3HG2 ILE 39 3HG2 ILE 39 -22.386 -15.086 18.410 350 1HD1 ILE 39 1HD1 ILE 39 -22.990 -18.021 18.997 351 2HD1 ILE 39 2HD1 ILE 39 -23.125 -18.439 17.290 352 3HD1 ILE 39 3HD1 ILE 39 -23.289 -16.758 17.803 353 H ASP 40 H ASP 40 -18.951 -17.038 20.964 354 HA ASP 40 HA ASP 40 -17.887 -19.703 20.265 355 1HB ASP 40 2HB ASP 40 -16.295 -18.186 21.481 356 2HB ASP 40 1HB ASP 40 -17.413 -18.189 22.842 357 H LEU 41 H LEU 41 -19.543 -21.067 20.387 358 HA LEU 41 HA LEU 41 -21.753 -20.518 22.162 359 1HB LEU 41 2HB LEU 41 -22.726 -22.584 21.050 360 2HB LEU 41 1HB LEU 41 -22.445 -21.188 20.032 361 HG LEU 41 HG LEU 41 -20.224 -22.350 19.399 362 1HD1 LEU 41 1HD1 LEU 41 -20.260 -24.068 21.124 363 2HD1 LEU 41 2HD1 LEU 41 -20.272 -24.784 19.511 364 3HD1 LEU 41 3HD1 LEU 41 -21.758 -24.715 20.458 365 1HD2 LEU 41 1HD2 LEU 41 -22.106 -22.030 17.883 366 2HD2 LEU 41 2HD2 LEU 41 -22.862 -23.496 18.508 367 3HD2 LEU 41 3HD2 LEU 41 -21.337 -23.598 17.627 368 H GLY 42 H GLY 42 -22.764 -22.650 23.138 369 1HA GLY 42 2HA GLY 42 -20.811 -23.509 25.106 370 2HA GLY 42 1HA GLY 42 -22.545 -23.763 25.170 371 H GLU 43 H GLU 43 -23.014 -25.824 25.191 372 HA GLU 43 HA GLU 43 -21.316 -27.679 23.682 373 1HB GLU 43 2HB GLU 43 -22.153 -29.376 25.306 374 2HB GLU 43 1HB GLU 43 -21.182 -28.112 26.038 375 1HG GLU 43 2HG GLU 43 -23.179 -27.021 26.857 376 2HG GLU 43 1HG GLU 43 -24.193 -28.204 26.032 377 HA PRO 44 HA PRO 44 -25.095 -28.620 21.394 378 1HB PRO 44 2HB PRO 44 -23.992 -30.370 19.673 379 2HB PRO 44 1HB PRO 44 -23.740 -28.627 19.515 380 1HG PRO 44 2HG PRO 44 -21.926 -30.706 20.678 381 2HG PRO 44 1HG PRO 44 -21.530 -29.338 19.622 382 1HD PRO 44 2HD PRO 44 -21.171 -29.324 22.337 383 2HD PRO 44 1HD PRO 44 -21.443 -27.861 21.368 384 H VAL 45 H VAL 45 -26.167 -30.769 20.788 385 HA VAL 45 HA VAL 45 -25.506 -32.864 22.740 386 HB VAL 45 HB VAL 45 -27.369 -31.500 23.581 387 1HG1 VAL 45 1HG1 VAL 45 -28.375 -30.783 21.518 388 2HG1 VAL 45 2HG1 VAL 45 -29.572 -31.618 22.508 389 3HG1 VAL 45 3HG1 VAL 45 -28.835 -32.445 21.137 390 1HG2 VAL 45 1HG2 VAL 45 -28.890 -33.295 24.162 391 2HG2 VAL 45 2HG2 VAL 45 -27.215 -33.839 24.244 392 3HG2 VAL 45 3HG2 VAL 45 -28.224 -34.291 22.869 393 H SER 46 H SER 46 -26.634 -34.914 22.239 394 HA SER 46 HA SER 46 -26.364 -35.529 19.420 395 1HB SER 46 2HB SER 46 -26.959 -37.366 21.743 396 2HB SER 46 1HB SER 46 -26.434 -37.838 20.135 397 HG SER 46 HG SER 46 -24.437 -37.105 20.524 398 H VAL 47 H VAL 47 -28.047 -37.138 18.538 399 HA VAL 47 HA VAL 47 -30.736 -36.681 19.554 400 HB VAL 47 HB VAL 47 -30.021 -34.804 17.987 401 1HG1 VAL 47 1HG1 VAL 47 -30.254 -35.229 15.584 402 2HG1 VAL 47 2HG1 VAL 47 -30.418 -36.951 15.924 403 3HG1 VAL 47 3HG1 VAL 47 -28.909 -36.121 16.297 404 1HG2 VAL 47 1HG2 VAL 47 -32.232 -34.687 16.907 405 2HG2 VAL 47 2HG2 VAL 47 -32.334 -35.130 18.613 406 3HG2 VAL 47 3HG2 VAL 47 -32.515 -36.365 17.369 407 H GLU 48 H GLU 48 -28.544 -38.733 18.453 408 HA GLU 48 HA GLU 48 -30.074 -40.211 16.511 409 1HB GLU 48 2HB GLU 48 -27.666 -41.246 17.949 410 2HB GLU 48 1HB GLU 48 -28.267 -41.727 16.377 411 1HG GLU 48 2HG GLU 48 -26.550 -40.427 15.700 412 2HG GLU 48 1HG GLU 48 -27.789 -39.183 15.823 413 H GLU 49 H GLU 49 -31.847 -41.093 17.261 414 HA GLU 49 HA GLU 49 -31.881 -42.659 19.698 415 1HB GLU 49 2HB GLU 49 -33.824 -41.237 19.048 416 2HB GLU 49 1HB GLU 49 -34.061 -42.253 17.636 417 1HG GLU 49 2HG GLU 49 -34.086 -43.464 20.362 418 2HG GLU 49 1HG GLU 49 -35.503 -42.602 19.772 419 H ILE 50 H ILE 50 -31.612 -43.066 16.301 420 HA ILE 50 HA ILE 50 -32.412 -45.777 16.136 421 HB ILE 50 HB ILE 50 -32.447 -44.199 14.222 422 1HG1 ILE 50 2HG1 ILE 50 -30.778 -46.672 13.721 423 2HG1 ILE 50 1HG1 ILE 50 -32.533 -46.646 13.863 424 1HG2 ILE 50 1HG2 ILE 50 -29.458 -44.551 14.251 425 2HG2 ILE 50 2HG2 ILE 50 -30.342 -43.068 14.605 426 3HG2 ILE 50 3HG2 ILE 50 -30.387 -43.751 12.980 427 1HD1 ILE 50 1HD1 ILE 50 -32.677 -45.260 11.873 428 2HD1 ILE 50 2HD1 ILE 50 -31.803 -46.756 11.546 429 3HD1 ILE 50 3HD1 ILE 50 -30.919 -45.240 11.744 430 H LYS 51 H LYS 51 -29.709 -44.426 17.467 431 HA LYS 51 HA LYS 51 -27.891 -46.592 16.812 432 1HB LYS 51 2HB LYS 51 -27.002 -44.300 17.071 433 2HB LYS 51 1HB LYS 51 -27.548 -44.287 18.744 434 1HG LYS 51 2HG LYS 51 -26.078 -46.517 18.793 435 2HG LYS 51 1HG LYS 51 -25.234 -45.649 17.511 436 1HD LYS 51 2HD LYS 51 -24.863 -43.768 18.974 437 2HD LYS 51 1HD LYS 51 -25.834 -44.519 20.241 438 1HE LYS 51 2HE LYS 51 -24.190 -46.419 20.237 439 2HE LYS 51 1HE LYS 51 -23.182 -45.453 19.161 440 1HZ LYS 51 1HZ LYS 51 -22.492 -45.211 21.457 441 2HZ LYS 51 2HZ LYS 51 -24.041 -44.676 21.895 442 3HZ LYS 51 3HZ LYS 51 -23.078 -43.736 20.863 443 H LYS 52 H LYS 52 -27.583 -48.354 18.056 444 HA LYS 52 HA LYS 52 -28.992 -48.497 20.605 445 1HB LYS 52 2HB LYS 52 -28.710 -50.905 20.390 446 2HB LYS 52 1HB LYS 52 -29.466 -50.250 18.953 447 1HG LYS 52 2HG LYS 52 -27.288 -50.333 17.811 448 2HG LYS 52 1HG LYS 52 -26.582 -51.062 19.254 449 1HD LYS 52 2HD LYS 52 -28.210 -52.926 19.037 450 2HD LYS 52 1HD LYS 52 -28.770 -52.213 17.524 451 1HE LYS 52 2HE LYS 52 -27.210 -53.962 17.013 452 2HE LYS 52 1HE LYS 52 -26.452 -52.412 16.642 453 1HZ LYS 52 1HZ LYS 52 -26.005 -54.010 19.102 454 2HZ LYS 52 2HZ LYS 52 -25.266 -52.526 18.744 455 3HZ LYS 52 3HZ LYS 52 -24.931 -53.894 17.801 456 H ILE 53 H ILE 53 -27.948 -48.916 22.512 457 HA ILE 53 HA ILE 53 -25.114 -48.336 22.604 458 HB ILE 53 HB ILE 53 -27.064 -49.073 24.813 459 1HG1 ILE 53 2HG1 ILE 53 -26.562 -46.630 25.472 460 2HG1 ILE 53 1HG1 ILE 53 -25.919 -46.452 23.848 461 1HG2 ILE 53 1HG2 ILE 53 -24.204 -48.147 25.048 462 2HG2 ILE 53 2HG2 ILE 53 -24.794 -49.776 25.371 463 3HG2 ILE 53 3HG2 ILE 53 -25.316 -48.434 26.389 464 1HD1 ILE 53 1HD1 ILE 53 -28.732 -47.264 24.522 465 2HD1 ILE 53 2HD1 ILE 53 -28.081 -47.008 22.903 466 3HD1 ILE 53 3HD1 ILE 53 -28.214 -45.653 24.028 467 H ARG 54 H ARG 54 -27.234 -51.073 23.313 468 HA ARG 54 HA ARG 54 -25.056 -52.899 22.738 469 1HB ARG 54 2HB ARG 54 -25.667 -54.239 24.773 470 2HB ARG 54 1HB ARG 54 -24.819 -52.737 25.104 471 1HG ARG 54 2HG ARG 54 -26.715 -51.721 25.971 472 2HG ARG 54 1HG ARG 54 -27.806 -52.843 25.153 473 1HD ARG 54 2HD ARG 54 -25.928 -53.621 27.377 474 2HD ARG 54 1HD ARG 54 -27.621 -53.191 27.615 475 HE ARG 54 HE ARG 54 -27.283 -55.267 25.669 476 1HH1 ARG 54 1HH1 ARG 54 -27.470 -54.625 29.112 477 2HH1 ARG 54 2HH1 ARG 54 -27.965 -56.247 29.508 478 1HH2 ARG 54 1HH2 ARG 54 -28.004 -57.357 26.167 479 2HH2 ARG 54 2HH2 ARG 54 -28.328 -57.795 27.819 480 H ASP 55 H ASP 55 -25.825 -55.090 22.337 481 HA ASP 55 HA ASP 55 -28.525 -55.222 21.322 482 1HB ASP 55 2HB ASP 55 -26.454 -57.412 21.622 483 2HB ASP 55 1HB ASP 55 -27.932 -57.513 20.669 484 H GLY 56 H GLY 56 -30.086 -56.878 22.116 485 1HA GLY 56 2HA GLY 56 -29.620 -57.573 24.941 486 2HA GLY 56 1HA GLY 56 -31.013 -56.587 24.532 487 H THR 57 H THR 57 -31.948 -57.811 22.254 488 HA THR 57 HA THR 57 -33.349 -59.960 23.531 489 HB THR 57 HB THR 57 -33.607 -59.167 20.636 490 HG1 THR 57 HG1 THR 57 -34.692 -57.408 21.219 491 1HG2 THR 57 1HG2 THR 57 -35.569 -60.290 22.637 492 2HG2 THR 57 2HG2 THR 57 -34.800 -61.185 21.327 493 3HG2 THR 57 3HG2 THR 57 -35.931 -59.883 20.959 494 H TRP 58 H TRP 58 -33.228 -62.107 23.152 495 HA TRP 58 HA TRP 58 -31.219 -63.046 21.219 496 1HB TRP 58 2HB TRP 58 -30.595 -63.543 23.546 497 2HB TRP 58 1HB TRP 58 -32.138 -64.348 23.800 498 HD1 TRP 58 HD1 TRP 58 -31.870 -66.882 23.774 499 HE1 TRP 58 HE1 TRP 58 -30.377 -68.583 22.545 500 HE3 TRP 58 HE3 TRP 58 -29.104 -63.636 20.950 501 HZ2 TRP 58 HZ2 TRP 58 -28.312 -68.546 20.635 502 HZ3 TRP 58 HZ3 TRP 58 -27.390 -64.557 19.443 503 HH2 TRP 58 HH2 TRP 58 -27.002 -66.965 19.291 504 H MET 59 H MET 59 -31.850 -64.490 19.711 505 HA MET 59 HA MET 59 -34.704 -64.860 19.407 506 1HB MET 59 2HB MET 59 -32.382 -65.548 17.596 507 2HB MET 59 1HB MET 59 -34.068 -65.817 17.182 508 1HG MET 59 2HG MET 59 -32.822 -63.140 17.776 509 2HG MET 59 1HG MET 59 -33.178 -63.778 16.172 510 1HE MET 59 1HE MET 59 -35.935 -65.208 16.527 511 2HE MET 59 2HE MET 59 -35.618 -64.090 15.199 512 3HE MET 59 3HE MET 59 -37.079 -63.914 16.171 513 H SER 60 H SER 60 -35.564 -66.981 18.733 514 HA SER 60 HA SER 60 -36.077 -69.116 19.164 515 1HB SER 60 2HB SER 60 -33.079 -69.376 19.331 516 2HB SER 60 1HB SER 60 -34.225 -70.698 19.241 517 HG SER 60 HG SER 60 -34.979 -69.428 17.253 518 H SER 61 H SER 61 -35.694 -67.189 21.408 519 HA SER 61 HA SER 61 -34.916 -68.783 23.658 520 1HB SER 61 2HB SER 61 -36.378 -66.135 23.552 521 2HB SER 61 1HB SER 61 -35.695 -66.868 25.004 522 HG SER 61 HG SER 61 -34.453 -65.496 22.965 523 H LEU 62 H LEU 62 -37.488 -68.993 21.714 524 HA LEU 62 HA LEU 62 -39.569 -69.286 23.704 525 1HB LEU 62 2HB LEU 62 -39.525 -69.614 20.709 526 2HB LEU 62 1HB LEU 62 -40.922 -70.042 21.674 527 HG LEU 62 HG LEU 62 -41.332 -67.892 20.758 528 1HD1 LEU 62 1HD1 LEU 62 -42.051 -68.171 23.055 529 2HD1 LEU 62 2HD1 LEU 62 -41.575 -66.499 22.749 530 3HD1 LEU 62 3HD1 LEU 62 -40.494 -67.578 23.632 531 1HD2 LEU 62 1HD2 LEU 62 -39.850 -65.977 21.085 532 2HD2 LEU 62 2HD2 LEU 62 -39.055 -67.263 20.178 533 3HD2 LEU 62 3HD2 LEU 62 -38.672 -67.022 21.883 534 H GLU 63 H GLU 63 -39.960 -71.101 24.756 535 HA GLU 63 HA GLU 63 -38.960 -73.627 23.645 536 1HB GLU 63 2HB GLU 63 -39.804 -72.913 26.461 537 2HB GLU 63 1HB GLU 63 -39.274 -74.505 25.945 538 1HG GLU 63 2HG GLU 63 -37.083 -73.576 25.358 539 2HG GLU 63 1HG GLU 63 -37.619 -71.992 25.919 540 H HIS 64 H HIS 64 -40.436 -74.779 22.577 541 HA HIS 64 HA HIS 64 -43.263 -74.355 23.228 542 1HB HIS 64 2HB HIS 64 -42.077 -74.237 20.818 543 2HB HIS 64 1HB HIS 64 -42.506 -75.946 20.845 544 HD1 HIS 64 HD1 HIS 64 -44.864 -76.489 20.173 545 HD2 HIS 64 HD2 HIS 64 -44.378 -72.492 21.214 546 HE1 HIS 64 HE1 HIS 64 -47.057 -75.380 19.654 547 HE2 HIS 64 HE2 HIS 64 -46.677 -72.930 20.119 548 H HIS 65 H HIS 65 -40.946 -76.913 22.546 549 HA HIS 65 HA HIS 65 -42.713 -78.831 23.893 550 1HB HIS 65 2HB HIS 65 -40.253 -79.231 22.185 551 2HB HIS 65 1HB HIS 65 -40.982 -80.528 23.122 552 HD1 HIS 65 HD1 HIS 65 -43.642 -80.939 22.485 553 HD2 HIS 65 HD2 HIS 65 -41.242 -79.015 19.687 554 HE1 HIS 65 HE1 HIS 65 -44.821 -81.203 20.282 555 HE2 HIS 65 HE2 HIS 65 -43.460 -79.855 18.651 556 H HIS 66 H HIS 66 -42.452 -78.318 26.002 557 HA HIS 66 HA HIS 66 -40.175 -79.320 27.352 558 1HB HIS 66 2HB HIS 66 -39.298 -77.087 26.524 559 2HB HIS 66 1HB HIS 66 -40.503 -76.316 27.548 560 HD1 HIS 66 HD1 HIS 66 -38.496 -75.187 28.846 561 HD2 HIS 66 HD2 HIS 66 -38.654 -79.342 29.110 562 HE1 HIS 66 HE1 HIS 66 -36.968 -75.811 30.742 563 HE2 HIS 66 HE2 HIS 66 -37.200 -78.307 30.987 564 H HIS 67 H HIS 67 -40.829 -79.962 29.303 565 HA HIS 67 HA HIS 67 -43.506 -79.536 30.133 566 1HB HIS 67 2HB HIS 67 -41.147 -80.757 31.578 567 2HB HIS 67 1HB HIS 67 -42.794 -80.765 32.206 568 HD1 HIS 67 HD1 HIS 67 -40.520 -82.807 30.363 569 HD2 HIS 67 HD2 HIS 67 -44.618 -82.106 30.219 570 HE1 HIS 67 HE1 HIS 67 -41.508 -84.773 29.144 571 HE2 HIS 67 HE2 HIS 67 -43.993 -84.425 29.265 572 H HIS 68 H HIS 68 -44.319 -78.430 31.900 573 HA HIS 68 HA HIS 68 -42.716 -76.127 32.752 574 1HB HIS 68 2HB HIS 68 -44.888 -75.671 31.688 575 2HB HIS 68 1HB HIS 68 -45.700 -76.666 32.886 576 HD1 HIS 68 HD1 HIS 68 -44.323 -73.271 32.310 577 HD2 HIS 68 HD2 HIS 68 -45.948 -75.467 35.452 578 HE1 HIS 68 HE1 HIS 68 -44.862 -71.595 34.110 579 HE2 HIS 68 HE2 HIS 68 -45.700 -72.966 36.053 580 H HIS 69 H HIS 69 -42.481 -75.613 34.945 581 HA HIS 69 HA HIS 69 -43.674 -77.424 36.893 582 1HB HIS 69 2HB HIS 69 -41.541 -77.671 38.138 583 2HB HIS 69 1HB HIS 69 -41.499 -78.435 36.555 584 HD1 HIS 69 HD1 HIS 69 -39.942 -75.705 38.564 585 HD2 HIS 69 HD2 HIS 69 -39.725 -77.241 34.708 586 HE1 HIS 69 HE1 HIS 69 -37.852 -74.739 37.572 587 HE2 HIS 69 HE2 HIS 69 -37.622 -75.869 35.336 588 1H MET 1 1H MET 1 -2.474 -18.434 7.843 589 2H MET 1 2H MET 1 -1.764 -18.708 9.356 590 3H MET 1 3H MET 1 -0.785 -18.470 7.988 591 HA MET 1 HA MET 1 -2.592 -16.469 9.214 592 1HB MET 1 2HB MET 1 0.428 -16.627 9.108 593 2HB MET 1 1HB MET 1 -0.483 -15.248 9.700 594 1HG MET 1 2HG MET 1 0.235 -16.428 11.596 595 2HG MET 1 1HG MET 1 -1.482 -16.782 11.420 596 1HE MET 1 1HE MET 1 -1.300 -18.852 13.058 597 2HE MET 1 2HE MET 1 0.405 -18.473 13.292 598 3HE MET 1 3HE MET 1 -0.084 -20.121 12.899 599 HA PRO 2 HA PRO 2 -2.407 -14.939 5.001 600 1HB PRO 2 2HB PRO 2 -4.180 -12.824 5.946 601 2HB PRO 2 1HB PRO 2 -4.509 -14.112 4.785 602 1HG PRO 2 2HG PRO 2 -5.643 -14.024 7.249 603 2HG PRO 2 1HG PRO 2 -5.299 -15.541 6.400 604 1HD PRO 2 2HD PRO 2 -3.751 -14.204 8.590 605 2HD PRO 2 1HD PRO 2 -4.125 -15.927 8.367 606 H LYS 3 H LYS 3 -0.214 -14.278 5.302 607 HA LYS 3 HA LYS 3 0.230 -11.622 6.398 608 1HB LYS 3 2HB LYS 3 2.634 -12.118 6.032 609 2HB LYS 3 1HB LYS 3 1.827 -13.272 7.079 610 1HG LYS 3 2HG LYS 3 1.686 -14.862 5.235 611 2HG LYS 3 1HG LYS 3 2.491 -13.702 4.175 612 1HD LYS 3 2HD LYS 3 4.466 -13.748 5.597 613 2HD LYS 3 1HD LYS 3 3.660 -14.858 6.706 614 1HE LYS 3 2HE LYS 3 5.203 -16.047 5.237 615 2HE LYS 3 1HE LYS 3 3.535 -16.541 4.944 616 1HZ LYS 3 1HZ LYS 3 4.941 -16.111 2.923 617 2HZ LYS 3 2HZ LYS 3 4.896 -14.468 3.320 618 3HZ LYS 3 3HZ LYS 3 3.456 -15.298 2.966 619 H ILE 4 H ILE 4 2.021 -10.389 5.061 620 HA ILE 4 HA ILE 4 0.595 -9.368 2.874 621 HB ILE 4 HB ILE 4 2.374 -7.801 2.621 622 1HG1 ILE 4 2HG1 ILE 4 4.284 -9.374 2.880 623 2HG1 ILE 4 1HG1 ILE 4 4.459 -7.894 3.793 624 1HG2 ILE 4 1HG2 ILE 4 2.455 -6.848 4.856 625 2HG2 ILE 4 2HG2 ILE 4 1.865 -8.372 5.521 626 3HG2 ILE 4 3HG2 ILE 4 0.841 -7.425 4.440 627 1HD1 ILE 4 1HD1 ILE 4 3.720 -9.144 5.822 628 2HD1 ILE 4 2HD1 ILE 4 5.257 -9.670 5.135 629 3HD1 ILE 4 3HD1 ILE 4 3.798 -10.617 4.854 630 H ILE 5 H ILE 5 0.755 -9.630 0.770 631 HA ILE 5 HA ILE 5 3.115 -10.977 -0.392 632 HB ILE 5 HB ILE 5 0.588 -10.248 -1.881 633 1HG1 ILE 5 2HG1 ILE 5 1.139 -12.892 -0.523 634 2HG1 ILE 5 1HG1 ILE 5 -0.023 -11.701 0.040 635 1HG2 ILE 5 1HG2 ILE 5 1.301 -12.025 -3.409 636 2HG2 ILE 5 2HG2 ILE 5 2.714 -12.321 -2.395 637 3HG2 ILE 5 3HG2 ILE 5 2.537 -10.780 -3.233 638 1HD1 ILE 5 1HD1 ILE 5 -0.132 -13.165 -2.589 639 2HD1 ILE 5 2HD1 ILE 5 -1.307 -11.981 -2.015 640 3HD1 ILE 5 3HD1 ILE 5 -1.111 -13.513 -1.163 641 H GLU 6 H GLU 6 4.131 -9.835 -2.216 642 HA GLU 6 HA GLU 6 3.613 -6.950 -2.086 643 1HB GLU 6 2HB GLU 6 6.139 -8.465 -2.722 644 2HB GLU 6 1HB GLU 6 5.953 -6.755 -3.053 645 1HG GLU 6 2HG GLU 6 7.082 -6.889 -0.998 646 2HG GLU 6 1HG GLU 6 5.422 -6.462 -0.602 647 H ALA 7 H ALA 7 3.138 -5.838 -3.851 648 HA ALA 7 HA ALA 7 3.374 -7.098 -6.492 649 1HB ALA 7 1HB ALA 7 1.053 -6.546 -7.045 650 2HB ALA 7 2HB ALA 7 0.786 -5.941 -5.409 651 3HB ALA 7 3HB ALA 7 1.121 -7.653 -5.675 652 H VAL 8 H VAL 8 2.989 -5.496 -8.241 653 HA VAL 8 HA VAL 8 3.402 -2.725 -7.397 654 HB VAL 8 HB VAL 8 4.704 -2.495 -9.561 655 1HG1 VAL 8 1HG1 VAL 8 5.882 -4.176 -7.356 656 2HG1 VAL 8 2HG1 VAL 8 5.750 -2.417 -7.358 657 3HG1 VAL 8 3HG1 VAL 8 6.799 -3.224 -8.523 658 1HG2 VAL 8 1HG2 VAL 8 4.100 -4.569 -10.636 659 2HG2 VAL 8 2HG2 VAL 8 4.801 -5.493 -9.308 660 3HG2 VAL 8 3HG2 VAL 8 5.843 -4.538 -10.364 661 H TYR 9 H TYR 9 1.884 -1.434 -8.050 662 HA TYR 9 HA TYR 9 -0.182 -1.962 -9.898 663 1HB TYR 9 2HB TYR 9 -0.220 -0.265 -8.084 664 2HB TYR 9 1HB TYR 9 0.991 0.663 -8.944 665 HD1 TYR 9 HD1 TYR 9 -2.469 0.164 -8.381 666 HD2 TYR 9 HD2 TYR 9 0.305 1.578 -11.280 667 HE1 TYR 9 HE1 TYR 9 -4.250 1.487 -9.430 668 HE2 TYR 9 HE2 TYR 9 -1.474 2.900 -12.346 669 HH TYR 9 HH TYR 9 -4.490 3.459 -10.862 670 H GLU 10 H GLU 10 0.136 -2.341 -12.015 671 HA GLU 10 HA GLU 10 1.885 -0.501 -13.490 672 1HB GLU 10 2HB GLU 10 1.837 -3.473 -13.536 673 2HB GLU 10 1HB GLU 10 2.148 -2.627 -15.029 674 1HG GLU 10 2HG GLU 10 3.973 -1.395 -13.656 675 2HG GLU 10 1HG GLU 10 3.795 -2.752 -12.545 676 H ASN 11 H ASN 11 0.961 0.415 -15.105 677 HA ASN 11 HA ASN 11 -0.596 1.036 -16.636 678 1HB ASN 11 2HB ASN 11 -0.580 -1.945 -17.035 679 2HB ASN 11 1HB ASN 11 -1.379 -0.822 -18.127 680 1HD2 ASN 11 1HD2 ASN 11 -0.104 -1.437 -19.849 681 2HD2 ASN 11 2HD2 ASN 11 1.564 -1.006 -19.980 682 H GLY 12 H GLY 12 -1.710 0.787 -14.008 683 1HA GLY 12 2HA GLY 12 -4.130 0.931 -13.615 684 2HA GLY 12 1HA GLY 12 -4.308 -0.414 -14.730 685 H VAL 13 H VAL 13 -2.681 -2.251 -13.987 686 HA VAL 13 HA VAL 13 -4.344 -3.106 -11.721 687 HB VAL 13 HB VAL 13 -3.985 -5.376 -12.546 688 1HG1 VAL 13 1HG1 VAL 13 -4.793 -3.456 -14.717 689 2HG1 VAL 13 2HG1 VAL 13 -5.843 -4.079 -13.442 690 3HG1 VAL 13 3HG1 VAL 13 -5.189 -5.173 -14.663 691 1HG2 VAL 13 1HG2 VAL 13 -2.823 -5.773 -14.670 692 2HG2 VAL 13 2HG2 VAL 13 -1.733 -5.131 -13.438 693 3HG2 VAL 13 3HG2 VAL 13 -2.343 -4.078 -14.714 694 H PHE 14 H PHE 14 -3.518 -4.524 -10.118 695 HA PHE 14 HA PHE 14 -0.752 -3.933 -9.463 696 1HB PHE 14 2HB PHE 14 -2.950 -5.317 -7.924 697 2HB PHE 14 1HB PHE 14 -1.320 -5.098 -7.311 698 HD1 PHE 14 HD1 PHE 14 -0.502 -2.885 -6.720 699 HD2 PHE 14 HD2 PHE 14 -4.498 -3.496 -8.018 700 HE1 PHE 14 HE1 PHE 14 -1.122 -0.686 -5.817 701 HE2 PHE 14 HE2 PHE 14 -5.137 -1.300 -7.108 702 HZ PHE 14 HZ PHE 14 -3.440 0.113 -5.998 703 H LYS 15 H LYS 15 0.778 -5.210 -10.191 704 HA LYS 15 HA LYS 15 0.233 -8.065 -10.616 705 1HB LYS 15 2HB LYS 15 2.544 -6.337 -11.529 706 2HB LYS 15 1HB LYS 15 2.322 -8.029 -11.915 707 1HG LYS 15 2HG LYS 15 0.344 -7.496 -13.214 708 2HG LYS 15 1HG LYS 15 0.504 -5.792 -12.768 709 1HD LYS 15 2HD LYS 15 2.766 -5.805 -13.812 710 2HD LYS 15 1HD LYS 15 2.449 -7.443 -14.376 711 1HE LYS 15 2HE LYS 15 0.593 -6.662 -15.711 712 2HE LYS 15 1HE LYS 15 0.793 -5.025 -15.081 713 1HZ LYS 15 1HZ LYS 15 1.797 -5.281 -17.280 714 2HZ LYS 15 2HZ LYS 15 2.811 -6.506 -16.690 715 3HZ LYS 15 3HZ LYS 15 2.973 -4.926 -16.109 716 HA PRO 16 HA PRO 16 2.584 -8.615 -6.802 717 1HB PRO 16 2HB PRO 16 2.976 -11.330 -7.203 718 2HB PRO 16 1HB PRO 16 1.615 -10.603 -6.346 719 1HG PRO 16 2HG PRO 16 1.764 -11.635 -9.135 720 2HG PRO 16 1HG PRO 16 0.409 -11.652 -7.995 721 1HD PRO 16 2HD PRO 16 0.567 -9.926 -10.064 722 2HD PRO 16 1HD PRO 16 -0.231 -9.510 -8.536 723 H LEU 17 H LEU 17 4.697 -9.435 -6.232 724 HA LEU 17 HA LEU 17 6.580 -9.435 -8.490 725 1HB LEU 17 2HB LEU 17 6.964 -8.961 -5.539 726 2HB LEU 17 1HB LEU 17 8.315 -9.283 -6.607 727 HG LEU 17 HG LEU 17 7.434 -7.254 -7.963 728 1HD1 LEU 17 1HD1 LEU 17 5.310 -7.012 -6.848 729 2HD1 LEU 17 2HD1 LEU 17 6.302 -5.575 -6.600 730 3HD1 LEU 17 3HD1 LEU 17 6.125 -6.760 -5.306 731 1HD2 LEU 17 1HD2 LEU 17 8.692 -6.915 -5.245 732 2HD2 LEU 17 2HD2 LEU 17 8.709 -5.715 -6.538 733 3HD2 LEU 17 3HD2 LEU 17 9.538 -7.256 -6.756 734 H GLN 18 H GLN 18 4.932 -11.357 -6.386 735 HA GLN 18 HA GLN 18 6.604 -13.654 -7.130 736 1HB GLN 18 2HB GLN 18 6.115 -14.718 -4.924 737 2HB GLN 18 1HB GLN 18 7.175 -13.323 -4.827 738 1HG GLN 18 2HG GLN 18 4.305 -12.781 -4.443 739 2HG GLN 18 1HG GLN 18 5.085 -13.756 -3.200 740 1HE2 GLN 18 1HE2 GLN 18 4.946 -12.210 -1.635 741 2HE2 GLN 18 2HE2 GLN 18 5.897 -10.758 -1.636 742 H LYS 19 H LYS 19 5.469 -15.558 -7.546 743 HA LYS 19 HA LYS 19 3.013 -15.101 -8.812 744 1HB LYS 19 2HB LYS 19 4.339 -17.706 -8.071 745 2HB LYS 19 1HB LYS 19 2.950 -17.559 -9.135 746 1HG LYS 19 2HG LYS 19 4.313 -16.118 -10.622 747 2HG LYS 19 1HG LYS 19 5.706 -16.467 -9.597 748 1HD LYS 19 2HD LYS 19 5.374 -18.879 -10.042 749 2HD LYS 19 1HD LYS 19 4.055 -18.468 -11.138 750 1HE LYS 19 2HE LYS 19 6.946 -17.661 -11.432 751 2HE LYS 19 1HE LYS 19 6.100 -18.882 -12.382 752 1HZ LYS 19 1HZ LYS 19 4.558 -17.054 -13.090 753 2HZ LYS 19 2HZ LYS 19 6.144 -16.925 -13.675 754 3HZ LYS 19 3HZ LYS 19 5.637 -15.951 -12.381 755 H VAL 20 H VAL 20 0.970 -15.887 -8.430 756 HA VAL 20 HA VAL 20 0.365 -16.577 -5.631 757 HB VAL 20 HB VAL 20 -1.440 -14.892 -7.377 758 1HG1 VAL 20 1HG1 VAL 20 -1.369 -15.374 -4.402 759 2HG1 VAL 20 2HG1 VAL 20 -2.538 -16.044 -5.539 760 3HG1 VAL 20 3HG1 VAL 20 -2.494 -14.307 -5.244 761 1HG2 VAL 20 1HG2 VAL 20 0.546 -13.935 -5.320 762 2HG2 VAL 20 2HG2 VAL 20 -0.676 -12.937 -6.108 763 3HG2 VAL 20 3HG2 VAL 20 0.626 -13.653 -7.059 764 H ASP 21 H ASP 21 -1.504 -17.871 -5.340 765 HA ASP 21 HA ASP 21 -2.231 -19.450 -7.707 766 1HB ASP 21 2HB ASP 21 -0.272 -20.352 -6.349 767 2HB ASP 21 1HB ASP 21 -1.434 -20.679 -5.078 768 H LEU 22 H LEU 22 -3.523 -17.464 -5.982 769 HA LEU 22 HA LEU 22 -5.497 -18.805 -4.399 770 1HB LEU 22 2HB LEU 22 -5.269 -15.941 -5.331 771 2HB LEU 22 1HB LEU 22 -6.444 -16.528 -4.179 772 HG LEU 22 HG LEU 22 -3.456 -16.560 -3.766 773 1HD1 LEU 22 1HD1 LEU 22 -3.873 -14.801 -2.130 774 2HD1 LEU 22 2HD1 LEU 22 -5.581 -14.792 -2.569 775 3HD1 LEU 22 3HD1 LEU 22 -4.365 -14.301 -3.749 776 1HD2 LEU 22 1HD2 LEU 22 -4.619 -18.392 -2.628 777 2HD2 LEU 22 2HD2 LEU 22 -5.708 -17.227 -1.876 778 3HD2 LEU 22 3HD2 LEU 22 -3.989 -17.209 -1.484 779 H LYS 23 H LYS 23 -7.813 -17.374 -5.037 780 HA LYS 23 HA LYS 23 -8.547 -18.820 -7.447 781 1HB LYS 23 2HB LYS 23 -10.218 -17.672 -5.227 782 2HB LYS 23 1HB LYS 23 -10.884 -18.425 -6.662 783 1HG LYS 23 2HG LYS 23 -9.518 -20.476 -6.019 784 2HG LYS 23 1HG LYS 23 -9.312 -19.693 -4.454 785 1HD LYS 23 2HD LYS 23 -12.032 -20.060 -5.657 786 2HD LYS 23 1HD LYS 23 -11.255 -21.365 -4.770 787 1HE LYS 23 2HE LYS 23 -12.669 -20.230 -3.238 788 2HE LYS 23 1HE LYS 23 -11.015 -19.777 -2.836 789 1HZ LYS 23 1HZ LYS 23 -12.539 -18.046 -4.658 790 2HZ LYS 23 2HZ LYS 23 -11.334 -17.645 -3.521 791 3HZ LYS 23 3HZ LYS 23 -12.900 -18.004 -3.005 792 H GLU 24 H GLU 24 -10.105 -17.876 -8.942 793 HA GLU 24 HA GLU 24 -9.441 -15.189 -9.613 794 1HB GLU 24 2HB GLU 24 -11.360 -17.227 -10.703 795 2HB GLU 24 1HB GLU 24 -11.359 -15.586 -11.292 796 1HG GLU 24 2HG GLU 24 -10.086 -16.997 -12.766 797 2HG GLU 24 1HG GLU 24 -9.026 -15.833 -11.986 798 H GLY 25 H GLY 25 -10.648 -13.420 -9.452 799 1HA GLY 25 2HA GLY 25 -11.690 -11.947 -8.051 800 2HA GLY 25 1HA GLY 25 -13.071 -13.025 -8.203 801 H GLU 26 H GLU 26 -9.910 -13.100 -6.671 802 HA GLU 26 HA GLU 26 -11.130 -14.052 -4.204 803 1HB GLU 26 2HB GLU 26 -8.501 -14.181 -5.429 804 2HB GLU 26 1HB GLU 26 -8.405 -13.646 -3.752 805 1HG GLU 26 2HG GLU 26 -9.626 -16.180 -4.805 806 2HG GLU 26 1HG GLU 26 -8.164 -16.004 -3.844 807 H ARG 27 H ARG 27 -10.791 -12.928 -2.176 808 HA ARG 27 HA ARG 27 -11.129 -10.066 -2.724 809 1HB ARG 27 2HB ARG 27 -12.735 -11.759 -1.424 810 2HB ARG 27 1HB ARG 27 -11.870 -11.064 -0.070 811 1HG ARG 27 2HG ARG 27 -13.907 -9.828 -0.508 812 2HG ARG 27 1HG ARG 27 -12.501 -8.821 -0.863 813 1HD ARG 27 2HD ARG 27 -12.728 -9.287 -3.228 814 2HD ARG 27 1HD ARG 27 -14.079 -10.374 -2.912 815 HE ARG 27 HE ARG 27 -14.497 -7.698 -1.934 816 1HH1 ARG 27 1HH1 ARG 27 -14.745 -9.831 -4.716 817 2HH1 ARG 27 2HH1 ARG 27 -15.944 -8.855 -5.512 818 1HH2 ARG 27 1HH2 ARG 27 -16.095 -6.454 -2.944 819 2HH2 ARG 27 2HH2 ARG 27 -16.744 -6.938 -4.485 820 H VAL 28 H VAL 28 -9.490 -8.973 -2.481 821 HA VAL 28 HA VAL 28 -7.691 -9.400 -0.193 822 HB VAL 28 HB VAL 28 -5.798 -8.719 -1.605 823 1HG1 VAL 28 1HG1 VAL 28 -7.322 -11.060 -2.725 824 2HG1 VAL 28 2HG1 VAL 28 -6.281 -11.087 -1.301 825 3HG1 VAL 28 3HG1 VAL 28 -5.592 -10.772 -2.893 826 1HG2 VAL 28 1HG2 VAL 28 -6.986 -7.377 -3.246 827 2HG2 VAL 28 2HG2 VAL 28 -7.777 -8.823 -3.875 828 3HG2 VAL 28 3HG2 VAL 28 -6.032 -8.629 -4.039 829 H LYS 29 H LYS 29 -6.578 -7.555 0.572 830 HA LYS 29 HA LYS 29 -7.614 -4.989 -0.381 831 1HB LYS 29 2HB LYS 29 -7.133 -5.937 2.401 832 2HB LYS 29 1HB LYS 29 -6.901 -4.245 2.021 833 1HG LYS 29 2HG LYS 29 -9.226 -4.245 1.074 834 2HG LYS 29 1HG LYS 29 -9.422 -5.854 1.773 835 1HD LYS 29 2HD LYS 29 -9.020 -5.005 3.978 836 2HD LYS 29 1HD LYS 29 -8.624 -3.411 3.342 837 1HE LYS 29 2HE LYS 29 -10.878 -3.478 4.299 838 2HE LYS 29 1HE LYS 29 -10.902 -3.115 2.576 839 1HZ LYS 29 1HZ LYS 29 -11.715 -5.223 2.069 840 2HZ LYS 29 2HZ LYS 29 -12.591 -4.764 3.445 841 3HZ LYS 29 3HZ LYS 29 -11.304 -5.859 3.587 842 H ILE 30 H ILE 30 -6.155 -3.337 -0.528 843 HA ILE 30 HA ILE 30 -3.331 -4.159 -0.539 844 HB ILE 30 HB ILE 30 -4.586 -2.554 -2.745 845 1HG1 ILE 30 2HG1 ILE 30 -3.968 -5.510 -2.704 846 2HG1 ILE 30 1HG1 ILE 30 -5.569 -4.789 -2.798 847 1HG2 ILE 30 1HG2 ILE 30 -2.243 -2.175 -2.490 848 2HG2 ILE 30 2HG2 ILE 30 -2.517 -3.134 -3.945 849 3HG2 ILE 30 3HG2 ILE 30 -1.922 -3.909 -2.475 850 1HD1 ILE 30 1HD1 ILE 30 -3.416 -4.558 -4.883 851 2HD1 ILE 30 2HD1 ILE 30 -5.032 -3.857 -4.978 852 3HD1 ILE 30 3HD1 ILE 30 -4.830 -5.608 -4.954 853 H LYS 31 H LYS 31 -1.884 -2.492 -0.222 854 HA LYS 31 HA LYS 31 -2.749 0.213 -0.003 855 1HB LYS 31 2HB LYS 31 -2.097 0.410 2.332 856 2HB LYS 31 1HB LYS 31 -3.453 -0.683 2.143 857 1HG LYS 31 2HG LYS 31 -1.611 -2.500 2.077 858 2HG LYS 31 1HG LYS 31 -0.624 -1.257 2.843 859 1HD LYS 31 2HD LYS 31 -1.527 -2.432 4.631 860 2HD LYS 31 1HD LYS 31 -2.575 -1.025 4.497 861 1HE LYS 31 2HE LYS 31 -4.245 -2.299 3.328 862 2HE LYS 31 1HE LYS 31 -3.180 -3.702 3.245 863 1HZ LYS 31 1HZ LYS 31 -3.274 -3.856 5.662 864 2HZ LYS 31 2HZ LYS 31 -4.824 -3.968 4.988 865 3HZ LYS 31 3HZ LYS 31 -4.321 -2.528 5.725 866 H LEU 32 H LEU 32 -0.874 1.590 0.666 867 HA LEU 32 HA LEU 32 1.457 0.674 -0.829 868 1HB LEU 32 2HB LEU 32 0.906 3.376 0.381 869 2HB LEU 32 1HB LEU 32 2.108 2.989 -0.828 870 HG LEU 32 HG LEU 32 -0.853 2.730 -1.339 871 1HD1 LEU 32 1HD1 LEU 32 -0.357 5.059 -0.832 872 2HD1 LEU 32 2HD1 LEU 32 -0.691 4.846 -2.550 873 3HD1 LEU 32 3HD1 LEU 32 0.971 5.041 -1.992 874 1HD2 LEU 32 1HD2 LEU 32 1.555 2.816 -3.151 875 2HD2 LEU 32 2HD2 LEU 32 -0.124 2.787 -3.692 876 3HD2 LEU 32 3HD2 LEU 32 0.543 1.413 -2.810 877 H GLU 33 H GLU 33 3.162 -0.187 0.304 878 HA GLU 33 HA GLU 33 3.236 0.550 3.134 879 1HB GLU 33 2HB GLU 33 3.150 -2.164 1.938 880 2HB GLU 33 1HB GLU 33 3.959 -1.913 3.460 881 1HG GLU 33 2HG GLU 33 1.803 -0.775 4.225 882 2HG GLU 33 1HG GLU 33 1.069 -1.507 2.799 883 H LEU 34 H LEU 34 5.060 0.417 4.228 884 HA LEU 34 HA LEU 34 7.587 -0.172 2.988 885 1HB LEU 34 2HB LEU 34 8.544 1.970 3.502 886 2HB LEU 34 1HB LEU 34 7.170 2.207 2.448 887 HG LEU 34 HG LEU 34 6.860 2.461 5.407 888 1HD1 LEU 34 1HD1 LEU 34 7.823 4.630 3.553 889 2HD1 LEU 34 2HD1 LEU 34 8.764 3.871 4.837 890 3HD1 LEU 34 3HD1 LEU 34 7.352 4.850 5.238 891 1HD2 LEU 34 1HD2 LEU 34 5.484 3.777 3.069 892 2HD2 LEU 34 2HD2 LEU 34 5.086 4.024 4.768 893 3HD2 LEU 34 3HD2 LEU 34 4.847 2.441 4.029 894 H LYS 35 H LYS 35 9.258 0.753 4.969 895 HA LYS 35 HA LYS 35 8.107 -0.353 7.442 896 1HB LYS 35 2HB LYS 35 9.733 -1.892 6.337 897 2HB LYS 35 1HB LYS 35 10.978 -0.672 6.546 898 1HG LYS 35 2HG LYS 35 11.193 -2.304 8.268 899 2HG LYS 35 1HG LYS 35 10.603 -0.809 8.996 900 1HD LYS 35 2HD LYS 35 8.292 -1.731 8.878 901 2HD LYS 35 1HD LYS 35 8.975 -3.252 8.299 902 1HE LYS 35 2HE LYS 35 10.334 -3.352 10.386 903 2HE LYS 35 1HE LYS 35 9.458 -1.935 10.967 904 1HZ LYS 35 1HZ LYS 35 8.311 -4.599 10.322 905 2HZ LYS 35 2HZ LYS 35 7.382 -3.238 10.716 906 3HZ LYS 35 3HZ LYS 35 8.448 -3.893 11.857 907 H VAL 36 H VAL 36 9.281 0.378 9.410 908 HA VAL 36 HA VAL 36 9.684 3.255 9.267 909 HB VAL 36 HB VAL 36 9.874 1.558 11.741 910 1HG1 VAL 36 1HG1 VAL 36 9.131 4.442 11.303 911 2HG1 VAL 36 2HG1 VAL 36 10.642 3.839 11.986 912 3HG1 VAL 36 3HG1 VAL 36 9.125 3.617 12.861 913 1HG2 VAL 36 1HG2 VAL 36 7.480 1.938 12.111 914 2HG2 VAL 36 2HG2 VAL 36 7.760 1.016 10.633 915 3HG2 VAL 36 3HG2 VAL 36 7.368 2.733 10.543 916 H GLU 37 H GLU 37 11.607 4.257 9.484 917 HA GLU 37 HA GLU 37 13.966 2.660 9.188 918 1HB GLU 37 2HB GLU 37 13.609 5.649 9.272 919 2HB GLU 37 1HB GLU 37 15.054 4.800 8.775 920 1HG GLU 37 2HG GLU 37 13.827 3.804 6.906 921 2HG GLU 37 1HG GLU 37 12.388 4.693 7.403 922 HA PRO 38 HA PRO 38 15.453 5.114 13.070 923 1HB PRO 38 2HB PRO 38 13.570 6.179 14.734 924 2HB PRO 38 1HB PRO 38 14.342 7.081 13.425 925 1HG PRO 38 2HG PRO 38 11.679 5.719 13.474 926 2HG PRO 38 1HG PRO 38 12.112 7.310 12.815 927 1HD PRO 38 2HD PRO 38 11.801 5.156 11.240 928 2HD PRO 38 1HD PRO 38 13.008 6.406 10.887 929 H ILE 39 H ILE 39 15.320 4.752 15.505 930 HA ILE 39 HA ILE 39 14.402 2.004 15.890 931 HB ILE 39 HB ILE 39 16.028 2.168 17.896 932 1HG1 ILE 39 2HG1 ILE 39 17.994 3.683 17.345 933 2HG1 ILE 39 1HG1 ILE 39 16.930 4.513 16.217 934 1HG2 ILE 39 1HG2 ILE 39 17.067 2.134 15.070 935 2HG2 ILE 39 2HG2 ILE 39 16.360 0.764 15.926 936 3HG2 ILE 39 3HG2 ILE 39 17.884 1.460 16.480 937 1HD1 ILE 39 1HD1 ILE 39 15.443 5.083 18.082 938 2HD1 ILE 39 2HD1 ILE 39 17.073 5.716 18.299 939 3HD1 ILE 39 3HD1 ILE 39 16.555 4.288 19.196 940 H ASP 40 H ASP 40 14.025 1.504 18.306 941 HA ASP 40 HA ASP 40 12.436 3.646 19.533 942 1HB ASP 40 2HB ASP 40 10.817 2.282 18.427 943 2HB ASP 40 1HB ASP 40 11.578 0.800 18.992 944 H LEU 41 H LEU 41 12.844 3.905 21.629 945 HA LEU 41 HA LEU 41 13.539 3.588 23.763 946 1HB LEU 41 2HB LEU 41 12.143 1.590 23.765 947 2HB LEU 41 1HB LEU 41 13.442 0.657 23.050 948 HG LEU 41 HG LEU 41 14.800 1.122 25.120 949 1HD1 LEU 41 1HD1 LEU 41 13.593 1.828 27.125 950 2HD1 LEU 41 2HD1 LEU 41 12.149 2.118 26.153 951 3HD1 LEU 41 3HD1 LEU 41 13.598 3.089 25.892 952 1HD2 LEU 41 1HD2 LEU 41 12.197 -0.357 25.497 953 2HD2 LEU 41 2HD2 LEU 41 13.659 -0.566 26.461 954 3HD2 LEU 41 3HD2 LEU 41 13.657 -1.009 24.755 955 H GLY 42 H GLY 42 15.488 4.379 24.121 956 1HA GLY 42 2HA GLY 42 17.716 2.650 24.327 957 2HA GLY 42 1HA GLY 42 17.877 3.624 22.882 958 H GLU 43 H GLU 43 18.562 3.432 26.086 959 HA GLU 43 HA GLU 43 18.898 6.328 26.377 960 1HB GLU 43 2HB GLU 43 18.826 4.120 28.427 961 2HB GLU 43 1HB GLU 43 19.265 5.768 28.799 962 1HG GLU 43 2HG GLU 43 17.029 5.541 29.450 963 2HG GLU 43 1HG GLU 43 16.982 6.436 27.932 964 HA PRO 44 HA PRO 44 23.282 5.458 26.010 965 1HB PRO 44 2HB PRO 44 23.776 8.255 26.523 966 2HB PRO 44 1HB PRO 44 23.908 7.382 24.998 967 1HG PRO 44 2HG PRO 44 22.014 9.298 25.502 968 2HG PRO 44 1HG PRO 44 21.817 7.995 24.317 969 1HD PRO 44 2HD PRO 44 20.739 8.206 27.100 970 2HD PRO 44 1HD PRO 44 19.964 7.565 25.634 971 H VAL 45 H VAL 45 24.186 4.479 27.719 972 HA VAL 45 HA VAL 45 23.835 5.449 30.395 973 HB VAL 45 HB VAL 45 24.034 3.068 29.983 974 1HG1 VAL 45 1HG1 VAL 45 26.163 2.027 29.355 975 2HG1 VAL 45 2HG1 VAL 45 26.876 3.629 29.159 976 3HG1 VAL 45 3HG1 VAL 45 25.571 3.109 28.094 977 1HG2 VAL 45 1HG2 VAL 45 25.643 2.465 31.711 978 2HG2 VAL 45 2HG2 VAL 45 24.654 3.851 32.175 979 3HG2 VAL 45 3HG2 VAL 45 26.317 4.094 31.636 980 H SER 46 H SER 46 25.576 5.958 31.828 981 HA SER 46 HA SER 46 27.233 7.992 30.612 982 1HB SER 46 2HB SER 46 27.860 8.302 33.128 983 2HB SER 46 1HB SER 46 26.277 8.796 32.551 984 HG SER 46 HG SER 46 27.004 6.713 34.238 985 H VAL 47 H VAL 47 29.448 8.253 31.132 986 HA VAL 47 HA VAL 47 30.921 5.997 32.173 987 HB VAL 47 HB VAL 47 30.665 5.639 29.715 988 1HG1 VAL 47 1HG1 VAL 47 30.757 7.912 28.918 989 2HG1 VAL 47 2HG1 VAL 47 32.054 6.968 28.184 990 3HG1 VAL 47 3HG1 VAL 47 32.412 8.076 29.508 991 1HG2 VAL 47 1HG2 VAL 47 33.468 6.022 30.745 992 2HG2 VAL 47 2HG2 VAL 47 33.025 5.049 29.343 993 3HG2 VAL 47 3HG2 VAL 47 32.465 4.584 30.950 994 H GLU 48 H GLU 48 32.808 6.596 33.125 995 HA GLU 48 HA GLU 48 33.854 9.260 32.628 996 1HB GLU 48 2HB GLU 48 34.134 9.670 35.032 997 2HB GLU 48 1HB GLU 48 32.467 9.609 34.521 998 1HG GLU 48 2HG GLU 48 33.922 7.350 35.874 999 2HG GLU 48 1HG GLU 48 32.928 8.532 36.709 1000 H GLU 49 H GLU 49 35.699 8.828 31.861 1001 HA GLU 49 HA GLU 49 37.324 6.628 32.838 1002 1HB GLU 49 2HB GLU 49 37.112 6.974 30.406 1003 2HB GLU 49 1HB GLU 49 37.860 8.556 30.574 1004 1HG GLU 49 2HG GLU 49 39.929 7.574 31.266 1005 2HG GLU 49 1HG GLU 49 39.201 5.970 31.318 1006 H ILE 50 H ILE 50 37.120 10.036 33.110 1007 HA ILE 50 HA ILE 50 39.880 10.488 33.719 1008 HB ILE 50 HB ILE 50 38.464 12.196 32.621 1009 1HG1 ILE 50 2HG1 ILE 50 39.224 14.141 33.977 1010 2HG1 ILE 50 1HG1 ILE 50 39.656 13.031 35.273 1011 1HG2 ILE 50 1HG2 ILE 50 36.874 13.498 33.923 1012 2HG2 ILE 50 2HG2 ILE 50 37.152 12.458 35.320 1013 3HG2 ILE 50 3HG2 ILE 50 36.403 11.801 33.863 1014 1HD1 ILE 50 1HD1 ILE 50 41.597 13.700 33.967 1015 2HD1 ILE 50 2HD1 ILE 50 40.850 13.042 32.512 1016 3HD1 ILE 50 3HD1 ILE 50 41.294 11.967 33.837 1017 H LYS 51 H LYS 51 37.239 9.429 35.492 1018 HA LYS 51 HA LYS 51 38.750 9.521 37.951 1019 1HB LYS 51 2HB LYS 51 37.378 11.653 37.812 1020 2HB LYS 51 1HB LYS 51 35.945 10.640 37.885 1021 1HG LYS 51 2HG LYS 51 36.463 11.541 40.064 1022 2HG LYS 51 1HG LYS 51 36.657 9.787 40.060 1023 1HD LYS 51 2HD LYS 51 39.054 10.012 39.871 1024 2HD LYS 51 1HD LYS 51 38.912 11.765 39.734 1025 1HE LYS 51 2HE LYS 51 37.956 11.840 42.003 1026 2HE LYS 51 1HE LYS 51 38.158 10.091 42.126 1027 1HZ LYS 51 1HZ LYS 51 39.964 11.451 43.164 1028 2HZ LYS 51 2HZ LYS 51 40.412 11.947 41.605 1029 3HZ LYS 51 3HZ LYS 51 40.493 10.310 42.030 1030 H LYS 52 H LYS 52 38.282 7.789 39.249 1031 HA LYS 52 HA LYS 52 35.889 6.222 38.785 1032 1HB LYS 52 2HB LYS 52 37.910 5.590 37.175 1033 2HB LYS 52 1HB LYS 52 38.465 4.719 38.598 1034 1HG LYS 52 2HG LYS 52 37.204 3.264 37.117 1035 2HG LYS 52 1HG LYS 52 36.367 3.468 38.658 1036 1HD LYS 52 2HD LYS 52 34.837 5.034 37.692 1037 2HD LYS 52 1HD LYS 52 35.744 5.064 36.180 1038 1HE LYS 52 2HE LYS 52 35.180 2.742 35.765 1039 2HE LYS 52 1HE LYS 52 34.349 2.644 37.318 1040 1HZ LYS 52 1HZ LYS 52 33.550 4.529 35.171 1041 2HZ LYS 52 2HZ LYS 52 32.686 4.132 36.569 1042 3HZ LYS 52 3HZ LYS 52 32.882 2.981 35.338 1043 H ILE 53 H ILE 53 35.623 4.530 40.419 1044 HA ILE 53 HA ILE 53 36.485 5.322 42.972 1045 HB ILE 53 HB ILE 53 34.340 4.335 42.693 1046 1HG1 ILE 53 2HG1 ILE 53 34.485 2.326 44.145 1047 2HG1 ILE 53 1HG1 ILE 53 36.233 2.448 44.057 1048 1HG2 ILE 53 1HG2 ILE 53 34.693 3.084 40.665 1049 2HG2 ILE 53 2HG2 ILE 53 34.034 2.013 41.903 1050 3HG2 ILE 53 3HG2 ILE 53 35.752 1.952 41.507 1051 1HD1 ILE 53 1HD1 ILE 53 36.113 4.670 45.079 1052 2HD1 ILE 53 2HD1 ILE 53 35.402 3.432 46.113 1053 3HD1 ILE 53 3HD1 ILE 53 34.361 4.516 45.191 1054 H ARG 54 H ARG 54 38.150 4.607 44.186 1055 HA ARG 54 HA ARG 54 39.927 2.591 42.998 1056 1HB ARG 54 2HB ARG 54 40.842 4.897 43.395 1057 2HB ARG 54 1HB ARG 54 40.590 4.643 45.117 1058 1HG ARG 54 2HG ARG 54 42.132 2.724 45.031 1059 2HG ARG 54 1HG ARG 54 42.417 3.057 43.321 1060 1HD ARG 54 2HD ARG 54 44.211 4.041 44.506 1061 2HD ARG 54 1HD ARG 54 43.153 5.361 44.010 1062 HE ARG 54 HE ARG 54 43.153 4.239 46.739 1063 1HH1 ARG 54 1HH1 ARG 54 42.956 6.959 44.534 1064 2HH1 ARG 54 2HH1 ARG 54 42.949 8.144 45.811 1065 1HH2 ARG 54 1HH2 ARG 54 43.124 5.794 48.406 1066 2HH2 ARG 54 2HH2 ARG 54 43.028 7.478 47.987 1067 H ASP 55 H ASP 55 40.335 0.730 44.070 1068 HA ASP 55 HA ASP 55 39.833 0.550 46.927 1069 1HB ASP 55 2HB ASP 55 37.656 -0.003 45.866 1070 2HB ASP 55 1HB ASP 55 38.442 -1.286 44.960 1071 H GLY 56 H GLY 56 40.617 -1.537 47.795 1072 1HA GLY 56 2HA GLY 56 41.843 -3.575 47.493 1073 2HA GLY 56 1HA GLY 56 42.495 -2.920 45.997 1074 H THR 57 H THR 57 42.598 -0.450 48.126 1075 HA THR 57 HA THR 57 45.430 -0.625 48.401 1076 HB THR 57 HB THR 57 44.773 1.463 49.982 1077 HG1 THR 57 HG1 THR 57 42.609 1.493 49.845 1078 1HG2 THR 57 1HG2 THR 57 44.799 1.449 46.958 1079 2HG2 THR 57 2HG2 THR 57 46.211 1.565 48.010 1080 3HG2 THR 57 3HG2 THR 57 45.026 2.871 47.975 1081 H TRP 58 H TRP 58 46.655 -1.007 50.199 1082 HA TRP 58 HA TRP 58 45.217 -1.902 52.618 1083 1HB TRP 58 2HB TRP 58 46.045 -3.853 51.425 1084 2HB TRP 58 1HB TRP 58 47.652 -3.144 51.322 1085 HD1 TRP 58 HD1 TRP 58 49.288 -3.656 53.242 1086 HE1 TRP 58 HE1 TRP 58 49.123 -4.890 55.491 1087 HE3 TRP 58 HE3 TRP 58 44.222 -4.321 53.429 1088 HZ2 TRP 58 HZ2 TRP 58 47.112 -6.001 57.131 1089 HZ3 TRP 58 HZ3 TRP 58 43.260 -5.480 55.372 1090 HH2 TRP 58 HH2 TRP 58 44.674 -6.304 57.185 1091 H MET 59 H MET 59 46.044 -1.273 54.563 1092 HA MET 59 HA MET 59 48.622 0.086 54.633 1093 1HB MET 59 2HB MET 59 47.700 2.006 55.859 1094 2HB MET 59 1HB MET 59 47.029 1.890 54.242 1095 1HG MET 59 2HG MET 59 45.605 0.843 56.672 1096 2HG MET 59 1HG MET 59 45.429 2.498 56.089 1097 1HE MET 59 1HE MET 59 42.037 0.759 55.082 1098 2HE MET 59 2HE MET 59 42.778 2.096 55.962 1099 3HE MET 59 3HE MET 59 43.011 0.440 56.519 1100 H SER 60 H SER 60 49.701 -0.161 56.509 1101 HA SER 60 HA SER 60 48.755 -2.035 58.439 1102 1HB SER 60 2HB SER 60 51.152 -0.197 58.656 1103 2HB SER 60 1HB SER 60 50.878 -1.701 59.534 1104 HG SER 60 HG SER 60 52.107 -1.421 57.234 1105 H SER 61 H SER 61 48.373 -1.619 60.697 1106 HA SER 61 HA SER 61 47.069 0.957 61.081 1107 1HB SER 61 2HB SER 61 46.994 -1.458 62.894 1108 2HB SER 61 1HB SER 61 45.893 -0.081 62.903 1109 HG SER 61 HG SER 61 44.931 -1.805 61.817 1110 H LEU 62 H LEU 62 49.979 -0.387 61.673 1111 HA LEU 62 HA LEU 62 51.744 -0.069 63.007 1112 1HB LEU 62 2HB LEU 62 52.413 2.239 63.239 1113 2HB LEU 62 1HB LEU 62 51.773 1.913 61.651 1114 HG LEU 62 HG LEU 62 49.566 2.890 62.932 1115 1HD1 LEU 62 1HD1 LEU 62 50.305 4.948 64.075 1116 2HD1 LEU 62 2HD1 LEU 62 51.966 4.354 64.014 1117 3HD1 LEU 62 3HD1 LEU 62 50.747 3.476 64.937 1118 1HD2 LEU 62 1HD2 LEU 62 50.335 3.507 60.718 1119 2HD2 LEU 62 2HD2 LEU 62 51.666 4.430 61.415 1120 3HD2 LEU 62 3HD2 LEU 62 49.999 4.947 61.679 1121 H GLU 63 H GLU 63 51.971 -0.892 64.928 1122 HA GLU 63 HA GLU 63 50.665 0.485 67.181 1123 1HB GLU 63 2HB GLU 63 49.702 -1.745 66.907 1124 2HB GLU 63 1HB GLU 63 51.311 -2.458 66.958 1125 1HG GLU 63 2HG GLU 63 51.598 -1.713 69.246 1126 2HG GLU 63 1HG GLU 63 50.019 -0.929 69.209 1127 H HIS 64 H HIS 64 52.146 1.647 68.193 1128 HA HIS 64 HA HIS 64 54.627 0.289 68.964 1129 1HB HIS 64 2HB HIS 64 55.084 1.871 67.057 1130 2HB HIS 64 1HB HIS 64 54.561 3.190 68.101 1131 HD1 HIS 64 HD1 HIS 64 56.539 4.395 69.001 1132 HD2 HIS 64 HD2 HIS 64 57.238 0.308 68.638 1133 HE1 HIS 64 HE1 HIS 64 58.873 4.022 69.862 1134 HE2 HIS 64 HE2 HIS 64 59.342 1.586 69.416 1135 H HIS 65 H HIS 65 54.439 0.058 71.070 1136 HA HIS 65 HA HIS 65 53.803 2.454 72.668 1137 1HB HIS 65 2HB HIS 65 53.054 -0.404 73.350 1138 2HB HIS 65 1HB HIS 65 52.789 0.995 74.382 1139 HD1 HIS 65 HD1 HIS 65 50.947 -1.141 72.354 1140 HD2 HIS 65 HD2 HIS 65 51.136 3.007 72.672 1141 HE1 HIS 65 HE1 HIS 65 48.790 -0.285 71.382 1142 HE2 HIS 65 HE2 HIS 65 48.878 2.219 71.666 1143 H HIS 66 H HIS 66 55.002 2.662 74.607 1144 HA HIS 66 HA HIS 66 57.584 1.438 74.501 1145 1HB HIS 66 2HB HIS 66 58.127 2.772 76.479 1146 2HB HIS 66 1HB HIS 66 57.374 3.757 75.238 1147 HD1 HIS 66 HD1 HIS 66 54.892 4.548 75.718 1148 HD2 HIS 66 HD2 HIS 66 56.855 2.762 78.920 1149 HE1 HIS 66 HE1 HIS 66 53.546 5.139 77.758 1150 HE2 HIS 66 HE2 HIS 66 54.624 3.848 79.640 1151 H HIS 67 H HIS 67 57.602 -0.667 74.873 1152 HA HIS 67 HA HIS 67 56.094 -1.810 77.065 1153 1HB HIS 67 2HB HIS 67 56.283 -3.043 74.935 1154 2HB HIS 67 1HB HIS 67 58.029 -3.108 75.131 1155 HD1 HIS 67 HD1 HIS 67 58.712 -5.377 75.807 1156 HD2 HIS 67 HD2 HIS 67 55.097 -4.280 77.545 1157 HE1 HIS 67 HE1 HIS 67 58.054 -7.307 77.276 1158 HE2 HIS 67 HE2 HIS 67 55.752 -6.724 78.115 1159 H HIS 68 H HIS 68 57.093 -0.672 78.769 1160 HA HIS 68 HA HIS 68 59.624 -1.879 79.608 1161 1HB HIS 68 2HB HIS 68 60.087 0.383 78.620 1162 2HB HIS 68 1HB HIS 68 59.039 1.079 79.853 1163 HD1 HIS 68 HD1 HIS 68 59.939 1.098 82.307 1164 HD2 HIS 68 HD2 HIS 68 62.624 -0.369 79.486 1165 HE1 HIS 68 HE1 HIS 68 62.166 1.014 83.469 1166 HE2 HIS 68 HE2 HIS 68 63.796 0.214 81.724 1167 H HIS 69 H HIS 69 59.098 -2.939 81.395 1168 HA HIS 69 HA HIS 69 57.109 -1.800 83.208 1169 1HB HIS 69 2HB HIS 69 57.009 -4.232 82.558 1170 2HB HIS 69 1HB HIS 69 58.538 -4.468 83.399 1171 HD1 HIS 69 HD1 HIS 69 55.055 -4.880 83.920 1172 HD2 HIS 69 HD2 HIS 69 58.203 -3.533 86.282 1173 HE1 HIS 69 HE1 HIS 69 54.260 -5.083 86.298 1174 HE2 HIS 69 HE2 HIS 69 56.222 -4.367 87.711 Start of MODEL 7 1 1H MET 1 1H MET 1 -1.313 8.899 6.795 2 2H MET 1 2H MET 1 -0.305 7.878 7.702 3 3H MET 1 3H MET 1 -1.494 8.795 8.482 4 HA MET 1 HA MET 1 -2.153 6.482 8.289 5 1HB MET 1 2HB MET 1 -3.756 8.297 6.471 6 2HB MET 1 1HB MET 1 -4.344 6.835 7.246 7 1HG MET 1 2HG MET 1 -4.020 7.874 9.438 8 2HG MET 1 1HG MET 1 -3.464 9.347 8.645 9 1HE MET 1 1HE MET 1 -5.244 10.919 9.775 10 2HE MET 1 2HE MET 1 -5.718 9.523 10.743 11 3HE MET 1 3HE MET 1 -6.948 10.492 9.932 12 HA PRO 2 HA PRO 2 -0.607 4.593 4.510 13 1HB PRO 2 2HB PRO 2 -1.723 2.125 5.637 14 2HB PRO 2 1HB PRO 2 -0.046 2.515 5.253 15 1HG PRO 2 2HG PRO 2 -0.917 2.284 7.794 16 2HG PRO 2 1HG PRO 2 0.361 3.424 7.332 17 1HD PRO 2 2HD PRO 2 -2.545 3.944 7.857 18 2HD PRO 2 1HD PRO 2 -1.124 4.898 8.338 19 H LYS 3 H LYS 3 -1.868 5.019 2.783 20 HA LYS 3 HA LYS 3 -4.700 4.761 2.850 21 1HB LYS 3 2HB LYS 3 -4.618 5.373 0.468 22 2HB LYS 3 1HB LYS 3 -3.694 6.471 1.479 23 1HG LYS 3 2HG LYS 3 -1.630 5.347 0.802 24 2HG LYS 3 1HG LYS 3 -2.567 4.261 -0.228 25 1HD LYS 3 2HD LYS 3 -3.357 6.135 -1.533 26 2HD LYS 3 1HD LYS 3 -2.508 7.263 -0.477 27 1HE LYS 3 2HE LYS 3 -1.031 7.097 -2.245 28 2HE LYS 3 1HE LYS 3 -0.403 5.868 -1.149 29 1HZ LYS 3 1HZ LYS 3 -2.065 5.453 -3.567 30 2HZ LYS 3 2HZ LYS 3 -1.753 4.230 -2.443 31 3HZ LYS 3 3HZ LYS 3 -0.474 4.916 -3.312 32 H ILE 4 H ILE 4 -6.033 3.323 1.815 33 HA ILE 4 HA ILE 4 -4.821 0.869 0.837 34 HB ILE 4 HB ILE 4 -6.261 -0.442 2.086 35 1HG1 ILE 4 2HG1 ILE 4 -8.307 0.892 1.742 36 2HG1 ILE 4 1HG1 ILE 4 -8.120 0.296 3.367 37 1HG2 ILE 4 1HG2 ILE 4 -4.431 0.404 3.413 38 2HG2 ILE 4 2HG2 ILE 4 -5.857 0.143 4.413 39 3HG2 ILE 4 3HG2 ILE 4 -5.416 1.777 3.917 40 1HD1 ILE 4 1HD1 ILE 4 -7.283 2.530 4.049 41 2HD1 ILE 4 2HD1 ILE 4 -8.956 2.512 3.495 42 3HD1 ILE 4 3HD1 ILE 4 -7.685 3.103 2.430 43 H ILE 5 H ILE 5 -5.855 -0.109 -0.866 44 HA ILE 5 HA ILE 5 -8.610 0.756 -1.446 45 HB ILE 5 HB ILE 5 -7.153 -0.519 -3.655 46 1HG1 ILE 5 2HG1 ILE 5 -6.496 2.335 -2.914 47 2HG1 ILE 5 1HG1 ILE 5 -5.378 0.983 -2.823 48 1HG2 ILE 5 1HG2 ILE 5 -8.384 1.157 -4.968 49 2HG2 ILE 5 2HG2 ILE 5 -8.945 1.900 -3.468 50 3HG2 ILE 5 3HG2 ILE 5 -9.439 0.257 -3.879 51 1HD1 ILE 5 1HD1 ILE 5 -6.701 1.946 -5.333 52 2HD1 ILE 5 2HD1 ILE 5 -5.481 0.676 -5.203 53 3HD1 ILE 5 3HD1 ILE 5 -5.058 2.351 -4.829 54 H GLU 6 H GLU 6 -9.849 -1.039 -2.556 55 HA GLU 6 HA GLU 6 -8.870 -3.666 -1.677 56 1HB GLU 6 2HB GLU 6 -11.609 -2.923 -2.712 57 2HB GLU 6 1HB GLU 6 -11.148 -4.429 -1.950 58 1HG GLU 6 2HG GLU 6 -10.812 -3.317 0.154 59 2HG GLU 6 1HG GLU 6 -11.114 -1.752 -0.598 60 H ALA 7 H ALA 7 -9.008 -5.425 -3.288 61 HA ALA 7 HA ALA 7 -9.360 -4.658 -6.084 62 1HB ALA 7 1HB ALA 7 -7.001 -4.189 -5.682 63 2HB ALA 7 2HB ALA 7 -7.185 -5.587 -6.742 64 3HB ALA 7 3HB ALA 7 -6.765 -5.814 -5.044 65 H VAL 8 H VAL 8 -9.684 -6.460 -7.450 66 HA VAL 8 HA VAL 8 -10.076 -8.993 -6.062 67 HB VAL 8 HB VAL 8 -11.586 -9.579 -7.921 68 1HG1 VAL 8 1HG1 VAL 8 -13.448 -8.155 -7.218 69 2HG1 VAL 8 2HG1 VAL 8 -12.298 -7.061 -6.450 70 3HG1 VAL 8 3HG1 VAL 8 -12.484 -8.709 -5.848 71 1HG2 VAL 8 1HG2 VAL 8 -10.700 -8.108 -9.660 72 2HG2 VAL 8 2HG2 VAL 8 -11.263 -6.705 -8.755 73 3HG2 VAL 8 3HG2 VAL 8 -12.429 -7.845 -9.428 74 H TYR 9 H TYR 9 -8.599 -10.416 -6.389 75 HA TYR 9 HA TYR 9 -6.585 -10.199 -8.461 76 1HB TYR 9 2HB TYR 9 -6.210 -10.876 -6.061 77 2HB TYR 9 1HB TYR 9 -7.068 -12.367 -6.401 78 HD1 TYR 9 HD1 TYR 9 -4.123 -10.392 -7.536 79 HD2 TYR 9 HD2 TYR 9 -5.850 -14.250 -7.046 80 HE1 TYR 9 HE1 TYR 9 -1.973 -11.419 -8.114 81 HE2 TYR 9 HE2 TYR 9 -3.702 -15.292 -7.636 82 HH TYR 9 HH TYR 9 -0.789 -13.510 -7.799 83 H GLU 10 H GLU 10 -7.338 -10.704 -10.457 84 HA GLU 10 HA GLU 10 -8.529 -13.369 -10.792 85 1HB GLU 10 2HB GLU 10 -9.561 -12.513 -12.834 86 2HB GLU 10 1HB GLU 10 -10.075 -11.602 -11.435 87 1HG GLU 10 2HG GLU 10 -8.716 -9.756 -12.026 88 2HG GLU 10 1HG GLU 10 -7.893 -10.686 -13.277 89 H ASN 11 H ASN 11 -7.491 -14.766 -12.113 90 HA ASN 11 HA ASN 11 -6.067 -15.619 -13.660 91 1HB ASN 11 2HB ASN 11 -7.096 -13.732 -15.041 92 2HB ASN 11 1HB ASN 11 -5.636 -12.825 -14.687 93 1HD2 ASN 11 1HD2 ASN 11 -5.865 -16.293 -15.309 94 2HD2 ASN 11 2HD2 ASN 11 -4.916 -16.262 -16.755 95 H GLY 12 H GLY 12 -5.131 -14.001 -11.134 96 1HA GLY 12 2HA GLY 12 -2.995 -14.191 -10.132 97 2HA GLY 12 1HA GLY 12 -2.290 -14.335 -11.738 98 H VAL 13 H VAL 13 -4.608 -11.874 -11.588 99 HA VAL 13 HA VAL 13 -2.515 -9.871 -10.989 100 HB VAL 13 HB VAL 13 -3.210 -8.437 -12.694 101 1HG1 VAL 13 1HG1 VAL 13 -1.986 -10.368 -13.560 102 2HG1 VAL 13 2HG1 VAL 13 -3.119 -9.726 -14.752 103 3HG1 VAL 13 3HG1 VAL 13 -3.517 -11.195 -13.858 104 1HG2 VAL 13 1HG2 VAL 13 -5.234 -8.734 -14.059 105 2HG2 VAL 13 2HG2 VAL 13 -5.609 -8.507 -12.352 106 3HG2 VAL 13 3HG2 VAL 13 -5.686 -10.119 -13.063 107 H PHE 14 H PHE 14 -3.115 -8.129 -9.688 108 HA PHE 14 HA PHE 14 -5.760 -8.356 -8.458 109 1HB PHE 14 2HB PHE 14 -3.418 -6.552 -7.830 110 2HB PHE 14 1HB PHE 14 -4.951 -6.488 -6.993 111 HD1 PHE 14 HD1 PHE 14 -1.749 -8.070 -7.211 112 HD2 PHE 14 HD2 PHE 14 -5.687 -8.479 -5.657 113 HE1 PHE 14 HE1 PHE 14 -0.925 -9.707 -5.563 114 HE2 PHE 14 HE2 PHE 14 -4.879 -10.128 -4.019 115 HZ PHE 14 HZ PHE 14 -2.493 -10.741 -3.964 116 H LYS 15 H LYS 15 -7.391 -7.351 -9.420 117 HA LYS 15 HA LYS 15 -6.891 -4.757 -10.713 118 1HB LYS 15 2HB LYS 15 -9.092 -6.794 -11.037 119 2HB LYS 15 1HB LYS 15 -9.240 -5.152 -11.632 120 1HG LYS 15 2HG LYS 15 -7.236 -5.507 -13.018 121 2HG LYS 15 1HG LYS 15 -7.187 -7.181 -12.464 122 1HD LYS 15 2HD LYS 15 -9.432 -7.541 -13.403 123 2HD LYS 15 1HD LYS 15 -9.446 -5.873 -13.978 124 1HE LYS 15 2HE LYS 15 -7.543 -6.328 -15.414 125 2HE LYS 15 1HE LYS 15 -7.459 -7.982 -14.802 126 1HZ LYS 15 1HZ LYS 15 -9.599 -8.444 -15.751 127 2HZ LYS 15 2HZ LYS 15 -8.600 -7.803 -16.963 128 3HZ LYS 15 3HZ LYS 15 -9.790 -6.831 -16.245 129 HA PRO 16 HA PRO 16 -8.370 -3.074 -6.844 130 1HB PRO 16 2HB PRO 16 -9.064 -0.792 -8.592 131 2HB PRO 16 1HB PRO 16 -8.119 -0.829 -7.108 132 1HG PRO 16 2HG PRO 16 -7.053 -0.648 -9.647 133 2HG PRO 16 1HG PRO 16 -6.171 -1.209 -8.221 134 1HD PRO 16 2HD PRO 16 -7.036 -2.718 -10.532 135 2HD PRO 16 1HD PRO 16 -6.003 -3.235 -9.190 136 H LEU 17 H LEU 17 -10.155 -2.109 -5.995 137 HA LEU 17 HA LEU 17 -12.631 -2.304 -7.485 138 1HB LEU 17 2HB LEU 17 -12.112 -2.195 -4.503 139 2HB LEU 17 1HB LEU 17 -13.705 -2.066 -5.222 140 HG LEU 17 HG LEU 17 -11.885 -4.476 -5.329 141 1HD1 LEU 17 1HD1 LEU 17 -12.952 -4.182 -3.174 142 2HD1 LEU 17 2HD1 LEU 17 -13.671 -5.544 -4.034 143 3HD1 LEU 17 3HD1 LEU 17 -14.522 -4.001 -3.953 144 1HD2 LEU 17 1HD2 LEU 17 -13.766 -5.585 -6.460 145 2HD2 LEU 17 2HD2 LEU 17 -13.101 -4.260 -7.415 146 3HD2 LEU 17 3HD2 LEU 17 -14.613 -4.039 -6.537 147 H GLN 18 H GLN 18 -12.913 -0.610 -8.356 148 HA GLN 18 HA GLN 18 -13.647 1.392 -8.875 149 1HB GLN 18 2HB GLN 18 -13.861 3.208 -7.256 150 2HB GLN 18 1HB GLN 18 -14.683 1.747 -6.775 151 1HG GLN 18 2HG GLN 18 -13.779 2.359 -4.799 152 2HG GLN 18 1HG GLN 18 -12.500 1.348 -5.404 153 1HE2 GLN 18 1HE2 GLN 18 -10.541 2.206 -5.897 154 2HE2 GLN 18 2HE2 GLN 18 -10.106 3.840 -5.535 155 H LYS 19 H LYS 19 -12.870 3.262 -9.734 156 HA LYS 19 HA LYS 19 -10.256 2.954 -10.665 157 1HB LYS 19 2HB LYS 19 -12.023 3.982 -11.987 158 2HB LYS 19 1HB LYS 19 -12.108 5.326 -10.862 159 1HG LYS 19 2HG LYS 19 -9.928 6.072 -11.491 160 2HG LYS 19 1HG LYS 19 -9.679 4.637 -12.489 161 1HD LYS 19 2HD LYS 19 -11.417 5.318 -14.002 162 2HD LYS 19 1HD LYS 19 -11.860 6.667 -12.957 163 1HE LYS 19 2HE LYS 19 -10.536 7.389 -14.897 164 2HE LYS 19 1HE LYS 19 -9.723 7.732 -13.371 165 1HZ LYS 19 1HZ LYS 19 -9.135 5.352 -15.055 166 2HZ LYS 19 2HZ LYS 19 -8.266 5.899 -13.699 167 3HZ LYS 19 3HZ LYS 19 -8.264 6.805 -15.129 168 H VAL 20 H VAL 20 -8.411 3.667 -10.028 169 HA VAL 20 HA VAL 20 -8.283 5.665 -7.884 170 HB VAL 20 HB VAL 20 -8.031 3.413 -6.990 171 1HG1 VAL 20 1HG1 VAL 20 -7.030 2.313 -8.913 172 2HG1 VAL 20 2HG1 VAL 20 -6.056 2.075 -7.462 173 3HG1 VAL 20 3HG1 VAL 20 -5.555 3.253 -8.675 174 1HG2 VAL 20 1HG2 VAL 20 -6.995 5.234 -5.822 175 2HG2 VAL 20 2HG2 VAL 20 -5.564 5.100 -6.845 176 3HG2 VAL 20 3HG2 VAL 20 -5.974 3.799 -5.727 177 H ASP 21 H ASP 21 -6.639 6.934 -7.767 178 HA ASP 21 HA ASP 21 -4.937 6.993 -10.150 179 1HB ASP 21 2HB ASP 21 -6.201 9.024 -9.759 180 2HB ASP 21 1HB ASP 21 -5.533 9.149 -8.139 181 H LEU 22 H LEU 22 -3.804 5.360 -9.356 182 HA LEU 22 HA LEU 22 -1.836 5.965 -7.282 183 1HB LEU 22 2HB LEU 22 -2.375 3.470 -8.886 184 2HB LEU 22 1HB LEU 22 -1.102 3.625 -7.703 185 HG LEU 22 HG LEU 22 -4.064 3.704 -7.173 186 1HD1 LEU 22 1HD1 LEU 22 -3.179 1.479 -7.597 187 2HD1 LEU 22 2HD1 LEU 22 -3.612 1.668 -5.896 188 3HD1 LEU 22 3HD1 LEU 22 -1.920 1.738 -6.390 189 1HD2 LEU 22 1HD2 LEU 22 -3.487 3.873 -4.815 190 2HD2 LEU 22 2HD2 LEU 22 -2.889 5.271 -5.708 191 3HD2 LEU 22 3HD2 LEU 22 -1.776 3.987 -5.231 192 H LYS 23 H LYS 23 0.410 4.915 -7.977 193 HA LYS 23 HA LYS 23 1.138 6.063 -10.595 194 1HB LYS 23 2HB LYS 23 2.421 6.903 -8.700 195 2HB LYS 23 1HB LYS 23 2.839 5.267 -8.221 196 1HG LYS 23 2HG LYS 23 3.960 5.067 -10.496 197 2HG LYS 23 1HG LYS 23 3.787 6.821 -10.604 198 1HD LYS 23 2HD LYS 23 5.071 7.077 -8.543 199 2HD LYS 23 1HD LYS 23 5.222 5.325 -8.407 200 1HE LYS 23 2HE LYS 23 6.392 5.318 -10.601 201 2HE LYS 23 1HE LYS 23 6.344 7.080 -10.583 202 1HZ LYS 23 1HZ LYS 23 7.606 7.018 -8.490 203 2HZ LYS 23 2HZ LYS 23 8.453 6.322 -9.782 204 3HZ LYS 23 3HZ LYS 23 7.723 5.331 -8.619 205 H GLU 24 H GLU 24 2.302 4.764 -12.104 206 HA GLU 24 HA GLU 24 1.831 1.945 -11.799 207 1HB GLU 24 2HB GLU 24 2.841 1.818 -14.071 208 2HB GLU 24 1HB GLU 24 1.386 2.774 -13.959 209 1HG GLU 24 2HG GLU 24 2.784 4.806 -13.930 210 2HG GLU 24 1HG GLU 24 4.210 3.788 -14.144 211 H GLY 25 H GLY 25 3.184 0.556 -11.050 212 1HA GLY 25 2HA GLY 25 5.344 -0.363 -10.614 213 2HA GLY 25 1HA GLY 25 6.036 1.239 -10.849 214 H GLU 26 H GLU 26 3.154 1.220 -9.041 215 HA GLU 26 HA GLU 26 4.528 2.074 -6.685 216 1HB GLU 26 2HB GLU 26 2.259 2.900 -7.594 217 2HB GLU 26 1HB GLU 26 1.587 1.432 -6.895 218 1HG GLU 26 2HG GLU 26 2.264 2.087 -4.713 219 2HG GLU 26 1HG GLU 26 3.161 3.463 -5.340 220 H ARG 27 H ARG 27 5.347 0.731 -5.245 221 HA ARG 27 HA ARG 27 4.597 -2.070 -5.333 222 1HB ARG 27 2HB ARG 27 6.957 -1.421 -5.283 223 2HB ARG 27 1HB ARG 27 6.723 -0.702 -3.700 224 1HG ARG 27 2HG ARG 27 6.308 -2.827 -2.720 225 2HG ARG 27 1HG ARG 27 6.247 -3.605 -4.305 226 1HD ARG 27 2HD ARG 27 8.591 -3.081 -4.672 227 2HD ARG 27 1HD ARG 27 8.663 -2.237 -3.124 228 HE ARG 27 HE ARG 27 7.946 -4.617 -2.269 229 1HH1 ARG 27 1HH1 ARG 27 10.252 -3.841 -4.796 230 2HH1 ARG 27 2HH1 ARG 27 11.248 -5.227 -4.493 231 1HH2 ARG 27 1HH2 ARG 27 9.239 -6.439 -1.873 232 2HH2 ARG 27 2HH2 ARG 27 10.666 -6.711 -2.824 233 H VAL 28 H VAL 28 3.286 -2.960 -4.045 234 HA VAL 28 HA VAL 28 2.326 -1.451 -1.704 235 HB VAL 28 HB VAL 28 0.038 -2.203 -2.250 236 1HG1 VAL 28 1HG1 VAL 28 1.387 -0.672 -4.477 237 2HG1 VAL 28 2HG1 VAL 28 0.759 0.012 -2.977 238 3HG1 VAL 28 3HG1 VAL 28 -0.346 -0.700 -4.152 239 1HG2 VAL 28 1HG2 VAL 28 -0.433 -3.140 -4.462 240 2HG2 VAL 28 2HG2 VAL 28 0.604 -4.202 -3.510 241 3HG2 VAL 28 3HG2 VAL 28 1.297 -3.213 -4.795 242 H LYS 29 H LYS 29 1.134 -2.733 -0.143 243 HA LYS 29 HA LYS 29 2.005 -5.540 -0.060 244 1HB LYS 29 2HB LYS 29 1.638 -3.576 2.200 245 2HB LYS 29 1HB LYS 29 1.960 -5.283 2.402 246 1HG LYS 29 2HG LYS 29 3.790 -3.374 0.973 247 2HG LYS 29 1HG LYS 29 3.950 -3.862 2.656 248 1HD LYS 29 2HD LYS 29 3.939 -5.813 0.372 249 2HD LYS 29 1HD LYS 29 5.411 -5.111 1.046 250 1HE LYS 29 2HE LYS 29 3.377 -6.675 2.634 251 2HE LYS 29 1HE LYS 29 4.856 -7.357 1.962 252 1HZ LYS 29 1HZ LYS 29 4.756 -6.485 4.417 253 2HZ LYS 29 2HZ LYS 29 5.079 -4.988 3.690 254 3HZ LYS 29 3HZ LYS 29 6.154 -6.285 3.486 255 H ILE 30 H ILE 30 0.511 -6.995 0.430 256 HA ILE 30 HA ILE 30 -2.272 -6.053 0.716 257 HB ILE 30 HB ILE 30 -1.530 -8.237 -1.209 258 1HG1 ILE 30 2HG1 ILE 30 -1.908 -5.307 -1.862 259 2HG1 ILE 30 1HG1 ILE 30 -0.381 -6.175 -1.935 260 1HG2 ILE 30 1HG2 ILE 30 -3.959 -6.486 -0.934 261 2HG2 ILE 30 2HG2 ILE 30 -3.834 -8.184 -0.474 262 3HG2 ILE 30 3HG2 ILE 30 -3.722 -7.720 -2.172 263 1HD1 ILE 30 1HD1 ILE 30 -1.228 -7.567 -3.722 264 2HD1 ILE 30 2HD1 ILE 30 -1.377 -5.858 -4.138 265 3HD1 ILE 30 3HD1 ILE 30 -2.796 -6.767 -3.619 266 H LYS 31 H LYS 31 -3.634 -7.449 1.699 267 HA LYS 31 HA LYS 31 -2.745 -10.105 2.350 268 1HB LYS 31 2HB LYS 31 -3.459 -9.973 4.600 269 2HB LYS 31 1HB LYS 31 -2.223 -8.777 4.314 270 1HG LYS 31 2HG LYS 31 -5.135 -8.125 4.252 271 2HG LYS 31 1HG LYS 31 -4.188 -8.155 5.722 272 1HD LYS 31 2HD LYS 31 -3.699 -6.424 3.318 273 2HD LYS 31 1HD LYS 31 -4.325 -5.902 4.878 274 1HE LYS 31 2HE LYS 31 -1.588 -7.075 4.392 275 2HE LYS 31 1HE LYS 31 -1.937 -5.360 4.594 276 1HZ LYS 31 1HZ LYS 31 -2.673 -5.793 6.843 277 2HZ LYS 31 2HZ LYS 31 -1.102 -6.387 6.633 278 3HZ LYS 31 3HZ LYS 31 -2.419 -7.453 6.649 279 H LEU 32 H LEU 32 -4.718 -11.327 3.297 280 HA LEU 32 HA LEU 32 -6.634 -10.993 1.125 281 1HB LEU 32 2HB LEU 32 -6.240 -13.385 2.917 282 2HB LEU 32 1HB LEU 32 -7.079 -13.324 1.384 283 HG LEU 32 HG LEU 32 -4.107 -13.002 1.779 284 1HD1 LEU 32 1HD1 LEU 32 -3.964 -15.142 0.591 285 2HD1 LEU 32 2HD1 LEU 32 -5.725 -15.253 0.596 286 3HD1 LEU 32 3HD1 LEU 32 -4.833 -15.286 2.116 287 1HD2 LEU 32 1HD2 LEU 32 -3.978 -13.046 -0.665 288 2HD2 LEU 32 2HD2 LEU 32 -4.893 -11.655 -0.083 289 3HD2 LEU 32 3HD2 LEU 32 -5.740 -13.048 -0.754 290 H GLU 33 H GLU 33 -8.839 -10.934 1.421 291 HA GLU 33 HA GLU 33 -9.921 -10.158 3.909 292 1HB GLU 33 2HB GLU 33 -11.001 -9.601 1.805 293 2HB GLU 33 1HB GLU 33 -11.253 -11.297 1.447 294 1HG GLU 33 2HG GLU 33 -13.288 -10.201 2.183 295 2HG GLU 33 1HG GLU 33 -12.805 -11.483 3.287 296 H LEU 34 H LEU 34 -11.272 -11.348 5.308 297 HA LEU 34 HA LEU 34 -9.928 -13.787 5.928 298 1HB LEU 34 2HB LEU 34 -12.092 -12.230 7.272 299 2HB LEU 34 1HB LEU 34 -11.655 -13.829 7.842 300 HG LEU 34 HG LEU 34 -9.686 -11.574 7.564 301 1HD1 LEU 34 1HD1 LEU 34 -11.197 -12.513 9.996 302 2HD1 LEU 34 2HD1 LEU 34 -11.347 -10.943 9.207 303 3HD1 LEU 34 3HD1 LEU 34 -9.845 -11.382 10.019 304 1HD2 LEU 34 1HD2 LEU 34 -8.302 -12.983 9.025 305 2HD2 LEU 34 2HD2 LEU 34 -8.687 -13.782 7.502 306 3HD2 LEU 34 3HD2 LEU 34 -9.544 -14.233 8.974 307 H LYS 35 H LYS 35 -10.792 -15.751 6.395 308 HA LYS 35 HA LYS 35 -13.311 -16.477 5.094 309 1HB LYS 35 2HB LYS 35 -10.582 -17.593 4.713 310 2HB LYS 35 1HB LYS 35 -11.886 -18.748 4.848 311 1HG LYS 35 2HG LYS 35 -11.507 -18.324 2.532 312 2HG LYS 35 1HG LYS 35 -13.040 -17.581 2.979 313 1HD LYS 35 2HD LYS 35 -11.992 -15.401 3.088 314 2HD LYS 35 1HD LYS 35 -10.411 -16.115 2.764 315 1HE LYS 35 2HE LYS 35 -11.120 -16.798 0.559 316 2HE LYS 35 1HE LYS 35 -12.763 -16.244 0.878 317 1HZ LYS 35 1HZ LYS 35 -10.413 -14.437 0.910 318 2HZ LYS 35 2HZ LYS 35 -12.049 -14.005 0.907 319 3HZ LYS 35 3HZ LYS 35 -11.350 -14.705 -0.476 320 H VAL 36 H VAL 36 -13.882 -18.825 5.928 321 HA VAL 36 HA VAL 36 -13.625 -18.725 8.829 322 HB VAL 36 HB VAL 36 -15.880 -18.974 7.980 323 1HG1 VAL 36 1HG1 VAL 36 -15.431 -20.073 5.868 324 2HG1 VAL 36 2HG1 VAL 36 -16.602 -21.004 6.802 325 3HG1 VAL 36 3HG1 VAL 36 -14.923 -21.533 6.716 326 1HG2 VAL 36 1HG2 VAL 36 -14.870 -21.459 9.345 327 2HG2 VAL 36 2HG2 VAL 36 -16.567 -21.000 9.223 328 3HG2 VAL 36 3HG2 VAL 36 -15.442 -19.981 10.119 329 H GLU 37 H GLU 37 -12.796 -20.360 10.044 330 HA GLU 37 HA GLU 37 -10.918 -22.094 8.638 331 1HB GLU 37 2HB GLU 37 -10.923 -20.768 11.182 332 2HB GLU 37 1HB GLU 37 -10.717 -22.497 11.430 333 1HG GLU 37 2HG GLU 37 -8.884 -22.425 9.717 334 2HG GLU 37 1HG GLU 37 -9.004 -20.666 9.777 335 HA PRO 38 HA PRO 38 -13.634 -25.571 9.144 336 1HB PRO 38 2HB PRO 38 -11.921 -27.472 8.286 337 2HB PRO 38 1HB PRO 38 -12.718 -26.347 7.181 338 1HG PRO 38 2HG PRO 38 -9.942 -26.257 8.299 339 2HG PRO 38 1HG PRO 38 -10.494 -25.947 6.642 340 1HD PRO 38 2HD PRO 38 -9.940 -23.950 8.402 341 2HD PRO 38 1HD PRO 38 -11.174 -23.800 7.135 342 H ILE 39 H ILE 39 -13.431 -27.811 10.164 343 HA ILE 39 HA ILE 39 -12.197 -27.466 12.774 344 HB ILE 39 HB ILE 39 -13.872 -29.804 11.879 345 1HG1 ILE 39 2HG1 ILE 39 -14.841 -27.226 13.133 346 2HG1 ILE 39 1HG1 ILE 39 -15.092 -27.679 11.453 347 1HG2 ILE 39 1HG2 ILE 39 -13.261 -28.622 14.576 348 2HG2 ILE 39 2HG2 ILE 39 -12.704 -30.171 13.944 349 3HG2 ILE 39 3HG2 ILE 39 -14.416 -29.925 14.297 350 1HD1 ILE 39 1HD1 ILE 39 -16.152 -29.176 13.833 351 2HD1 ILE 39 2HD1 ILE 39 -16.445 -29.568 12.139 352 3HD1 ILE 39 3HD1 ILE 39 -17.075 -28.067 12.821 353 H ASP 40 H ASP 40 -10.783 -28.995 13.681 354 HA ASP 40 HA ASP 40 -9.500 -30.823 11.767 355 1HB ASP 40 2HB ASP 40 -8.100 -28.791 12.242 356 2HB ASP 40 1HB ASP 40 -8.066 -29.271 13.939 357 H LEU 41 H LEU 41 -9.086 -32.862 12.515 358 HA LEU 41 HA LEU 41 -10.566 -33.609 14.868 359 1HB LEU 41 2HB LEU 41 -9.061 -35.175 12.788 360 2HB LEU 41 1HB LEU 41 -9.744 -35.943 14.207 361 HG LEU 41 HG LEU 41 -11.997 -35.066 13.492 362 1HD1 LEU 41 1HD1 LEU 41 -12.284 -34.395 11.169 363 2HD1 LEU 41 2HD1 LEU 41 -10.540 -34.453 10.925 364 3HD1 LEU 41 3HD1 LEU 41 -11.237 -33.268 12.031 365 1HD2 LEU 41 1HD2 LEU 41 -10.568 -36.926 11.598 366 2HD2 LEU 41 2HD2 LEU 41 -12.316 -36.787 11.788 367 3HD2 LEU 41 3HD2 LEU 41 -11.328 -37.373 13.126 368 H GLY 42 H GLY 42 -9.462 -35.488 16.202 369 1HA GLY 42 2HA GLY 42 -6.896 -34.432 17.136 370 2HA GLY 42 1HA GLY 42 -8.121 -35.131 18.192 371 H GLU 43 H GLU 43 -5.493 -35.942 18.017 372 HA GLU 43 HA GLU 43 -5.057 -38.128 16.280 373 1HB GLU 43 2HB GLU 43 -3.069 -38.555 17.653 374 2HB GLU 43 1HB GLU 43 -3.196 -36.870 17.191 375 1HG GLU 43 2HG GLU 43 -4.165 -37.834 19.857 376 2HG GLU 43 1HG GLU 43 -2.472 -37.433 19.583 377 HA PRO 44 HA PRO 44 -7.158 -41.405 18.422 378 1HB PRO 44 2HB PRO 44 -5.036 -43.137 17.300 379 2HB PRO 44 1HB PRO 44 -6.786 -43.228 17.082 380 1HG PRO 44 2HG PRO 44 -5.188 -42.392 15.108 381 2HG PRO 44 1HG PRO 44 -6.787 -41.672 15.367 382 1HD PRO 44 2HD PRO 44 -4.090 -40.609 16.104 383 2HD PRO 44 1HD PRO 44 -5.502 -39.750 15.453 384 H VAL 45 H VAL 45 -6.906 -41.705 20.547 385 HA VAL 45 HA VAL 45 -4.321 -41.538 21.766 386 HB VAL 45 HB VAL 45 -6.109 -40.544 22.949 387 1HG1 VAL 45 1HG1 VAL 45 -8.036 -41.781 23.815 388 2HG1 VAL 45 2HG1 VAL 45 -7.462 -43.231 22.996 389 3HG1 VAL 45 3HG1 VAL 45 -7.974 -41.830 22.054 390 1HG2 VAL 45 1HG2 VAL 45 -4.448 -41.490 24.406 391 2HG2 VAL 45 2HG2 VAL 45 -5.268 -43.050 24.378 392 3HG2 VAL 45 3HG2 VAL 45 -6.039 -41.663 25.147 393 H SER 46 H SER 46 -3.325 -43.052 23.020 394 HA SER 46 HA SER 46 -3.561 -45.762 21.961 395 1HB SER 46 2HB SER 46 -1.383 -44.373 23.534 396 2HB SER 46 1HB SER 46 -1.299 -46.037 22.972 397 HG SER 46 HG SER 46 -1.516 -43.696 21.372 398 H VAL 47 H VAL 47 -2.420 -47.266 23.891 399 HA VAL 47 HA VAL 47 -2.814 -48.510 25.716 400 HB VAL 47 HB VAL 47 -3.852 -45.875 26.617 401 1HG1 VAL 47 1HG1 VAL 47 -4.009 -46.793 28.920 402 2HG1 VAL 47 2HG1 VAL 47 -3.755 -48.406 28.253 403 3HG1 VAL 47 3HG1 VAL 47 -5.200 -47.493 27.822 404 1HG2 VAL 47 1HG2 VAL 47 -1.461 -47.519 27.398 405 2HG2 VAL 47 2HG2 VAL 47 -1.889 -45.959 28.099 406 3HG2 VAL 47 3HG2 VAL 47 -1.460 -46.070 26.391 407 H GLU 48 H GLU 48 -4.327 -49.973 26.380 408 HA GLU 48 HA GLU 48 -6.873 -49.835 24.943 409 1HB GLU 48 2HB GLU 48 -5.890 -52.167 26.544 410 2HB GLU 48 1HB GLU 48 -7.036 -52.168 25.221 411 1HG GLU 48 2HG GLU 48 -5.310 -51.788 23.622 412 2HG GLU 48 1HG GLU 48 -4.122 -51.521 24.899 413 H GLU 49 H GLU 49 -8.484 -48.940 26.021 414 HA GLU 49 HA GLU 49 -8.740 -49.219 28.894 415 1HB GLU 49 2HB GLU 49 -9.412 -47.098 27.781 416 2HB GLU 49 1HB GLU 49 -10.667 -47.977 26.917 417 1HG GLU 49 2HG GLU 49 -11.553 -48.639 29.213 418 2HG GLU 49 1HG GLU 49 -10.480 -47.395 29.851 419 H ILE 50 H ILE 50 -9.841 -50.705 26.021 420 HA ILE 50 HA ILE 50 -12.194 -51.901 27.158 421 HB ILE 50 HB ILE 50 -10.858 -52.595 24.541 422 1HG1 ILE 50 2HG1 ILE 50 -13.006 -50.522 25.055 423 2HG1 ILE 50 1HG1 ILE 50 -11.315 -50.160 24.717 424 1HG2 ILE 50 1HG2 ILE 50 -13.723 -52.885 25.445 425 2HG2 ILE 50 2HG2 ILE 50 -12.548 -54.192 25.309 426 3HG2 ILE 50 3HG2 ILE 50 -13.077 -53.329 23.866 427 1HD1 ILE 50 1HD1 ILE 50 -12.666 -49.863 22.739 428 2HD1 ILE 50 2HD1 ILE 50 -13.263 -51.518 22.859 429 3HD1 ILE 50 3HD1 ILE 50 -11.559 -51.218 22.513 430 H LYS 51 H LYS 51 -8.922 -52.609 27.158 431 HA LYS 51 HA LYS 51 -9.381 -55.481 27.506 432 1HB LYS 51 2HB LYS 51 -7.582 -54.490 25.921 433 2HB LYS 51 1HB LYS 51 -6.675 -54.167 27.386 434 1HG LYS 51 2HG LYS 51 -7.685 -56.918 26.739 435 2HG LYS 51 1HG LYS 51 -6.167 -56.312 26.082 436 1HD LYS 51 2HD LYS 51 -6.697 -56.200 29.029 437 2HD LYS 51 1HD LYS 51 -6.160 -57.702 28.281 438 1HE LYS 51 2HE LYS 51 -4.269 -56.479 29.174 439 2HE LYS 51 1HE LYS 51 -4.174 -56.542 27.418 440 1HZ LYS 51 1HZ LYS 51 -3.679 -54.338 28.568 441 2HZ LYS 51 2HZ LYS 51 -5.352 -54.216 28.802 442 3HZ LYS 51 3HZ LYS 51 -4.722 -54.307 27.228 443 H LYS 52 H LYS 52 -9.102 -56.422 29.445 444 HA LYS 52 HA LYS 52 -8.678 -54.633 31.708 445 1HB LYS 52 2HB LYS 52 -10.099 -56.102 32.956 446 2HB LYS 52 1HB LYS 52 -10.907 -55.672 31.473 447 1HG LYS 52 2HG LYS 52 -9.424 -58.266 31.797 448 2HG LYS 52 1HG LYS 52 -11.103 -58.078 32.288 449 1HD LYS 52 2HD LYS 52 -11.509 -57.254 29.889 450 2HD LYS 52 1HD LYS 52 -9.923 -57.939 29.530 451 1HE LYS 52 2HE LYS 52 -11.599 -59.572 29.005 452 2HE LYS 52 1HE LYS 52 -10.710 -60.109 30.430 453 1HZ LYS 52 1HZ LYS 52 -13.023 -60.465 30.808 454 2HZ LYS 52 2HZ LYS 52 -13.409 -58.877 30.359 455 3HZ LYS 52 3HZ LYS 52 -12.549 -59.167 31.791 456 H ILE 53 H ILE 53 -8.567 -56.945 33.511 457 HA ILE 53 HA ILE 53 -7.167 -58.440 34.461 458 HB ILE 53 HB ILE 53 -5.788 -58.308 31.804 459 1HG1 ILE 53 2HG1 ILE 53 -7.420 -60.491 33.094 460 2HG1 ILE 53 1HG1 ILE 53 -8.020 -59.367 31.881 461 1HG2 ILE 53 1HG2 ILE 53 -5.167 -60.130 34.128 462 2HG2 ILE 53 2HG2 ILE 53 -4.130 -58.839 33.522 463 3HG2 ILE 53 3HG2 ILE 53 -4.460 -60.250 32.517 464 1HD1 ILE 53 1HD1 ILE 53 -7.499 -61.492 30.870 465 2HD1 ILE 53 2HD1 ILE 53 -5.852 -61.417 31.495 466 3HD1 ILE 53 3HD1 ILE 53 -6.386 -60.257 30.277 467 H ARG 54 H ARG 54 -6.468 -57.178 36.074 468 HA ARG 54 HA ARG 54 -3.916 -55.756 35.652 469 1HB ARG 54 2HB ARG 54 -5.951 -54.307 36.158 470 2HB ARG 54 1HB ARG 54 -5.992 -55.070 37.739 471 1HG ARG 54 2HG ARG 54 -3.639 -54.276 38.080 472 2HG ARG 54 1HG ARG 54 -3.818 -53.349 36.592 473 1HD ARG 54 2HD ARG 54 -5.431 -53.060 39.118 474 2HD ARG 54 1HD ARG 54 -4.245 -51.924 38.486 475 HE ARG 54 HE ARG 54 -6.865 -52.488 37.244 476 1HH1 ARG 54 1HH1 ARG 54 -4.112 -50.385 37.781 477 2HH1 ARG 54 2HH1 ARG 54 -4.889 -48.992 37.083 478 1HH2 ARG 54 1HH2 ARG 54 -7.895 -50.649 36.377 479 2HH2 ARG 54 2HH2 ARG 54 -7.041 -49.136 36.293 480 H ASP 55 H ASP 55 -2.270 -56.649 36.770 481 HA ASP 55 HA ASP 55 -2.896 -58.616 38.829 482 1HB ASP 55 2HB ASP 55 -1.078 -58.793 36.926 483 2HB ASP 55 1HB ASP 55 -0.089 -57.891 38.067 484 H GLY 56 H GLY 56 -1.222 -58.581 40.715 485 1HA GLY 56 2HA GLY 56 -0.249 -56.214 41.794 486 2HA GLY 56 1HA GLY 56 -1.933 -56.324 42.289 487 H THR 57 H THR 57 0.319 -58.982 41.805 488 HA THR 57 HA THR 57 -0.355 -60.205 44.264 489 HB THR 57 HB THR 57 0.447 -61.488 42.333 490 HG1 THR 57 HG1 THR 57 0.740 -62.691 44.080 491 1HG2 THR 57 1HG2 THR 57 3.139 -60.264 42.926 492 2HG2 THR 57 2HG2 THR 57 2.143 -59.930 41.509 493 3HG2 THR 57 3HG2 THR 57 2.817 -61.542 41.752 494 H TRP 58 H TRP 58 0.886 -60.479 46.136 495 HA TRP 58 HA TRP 58 3.242 -58.811 46.486 496 1HB TRP 58 2HB TRP 58 1.227 -57.398 47.011 497 2HB TRP 58 1HB TRP 58 0.855 -58.512 48.319 498 HD1 TRP 58 HD1 TRP 58 1.739 -57.780 50.588 499 HE1 TRP 58 HE1 TRP 58 3.638 -56.262 51.439 500 HE3 TRP 58 HE3 TRP 58 3.862 -56.551 46.096 501 HZ2 TRP 58 HZ2 TRP 58 5.761 -54.756 50.343 502 HZ3 TRP 58 HZ3 TRP 58 5.830 -55.070 46.089 503 HH2 TRP 58 HH2 TRP 58 6.757 -54.191 48.172 504 H MET 59 H MET 59 4.592 -59.488 48.104 505 HA MET 59 HA MET 59 3.846 -62.003 49.438 506 1HB MET 59 2HB MET 59 5.768 -62.123 47.879 507 2HB MET 59 1HB MET 59 6.595 -60.895 48.826 508 1HG MET 59 2HG MET 59 6.580 -62.416 50.761 509 2HG MET 59 1HG MET 59 5.815 -63.649 49.759 510 1HE MET 59 1HE MET 59 7.699 -65.445 50.242 511 2HE MET 59 2HE MET 59 8.405 -64.283 51.365 512 3HE MET 59 3HE MET 59 9.422 -65.079 50.163 513 H SER 60 H SER 60 3.614 -61.937 51.595 514 HA SER 60 HA SER 60 4.098 -59.423 52.949 515 1HB SER 60 2HB SER 60 1.999 -60.782 53.261 516 2HB SER 60 1HB SER 60 2.973 -61.974 54.123 517 HG SER 60 HG SER 60 2.336 -59.322 54.849 518 H SER 61 H SER 61 5.602 -59.003 54.452 519 HA SER 61 HA SER 61 7.592 -61.102 54.981 520 1HB SER 61 2HB SER 61 7.872 -58.100 55.246 521 2HB SER 61 1HB SER 61 9.163 -59.292 55.415 522 HG SER 61 HG SER 61 7.923 -58.304 53.128 523 H LEU 62 H LEU 62 4.949 -60.445 56.366 524 HA LEU 62 HA LEU 62 5.685 -59.497 58.968 525 1HB LEU 62 2HB LEU 62 3.163 -60.815 57.961 526 2HB LEU 62 1HB LEU 62 3.357 -60.157 59.575 527 HG LEU 62 HG LEU 62 3.512 -58.561 57.014 528 1HD1 LEU 62 1HD1 LEU 62 1.342 -58.742 59.100 529 2HD1 LEU 62 2HD1 LEU 62 1.253 -59.338 57.443 530 3HD1 LEU 62 3HD1 LEU 62 1.375 -57.608 57.751 531 1HD2 LEU 62 1HD2 LEU 62 4.909 -57.627 58.783 532 2HD2 LEU 62 2HD2 LEU 62 3.544 -57.677 59.899 533 3HD2 LEU 62 3HD2 LEU 62 3.495 -56.614 58.493 534 H GLU 63 H GLU 63 7.291 -60.873 59.693 535 HA GLU 63 HA GLU 63 6.573 -63.660 60.192 536 1HB GLU 63 2HB GLU 63 9.164 -62.142 60.568 537 2HB GLU 63 1HB GLU 63 8.943 -63.843 60.950 538 1HG GLU 63 2HG GLU 63 8.571 -64.389 58.665 539 2HG GLU 63 1HG GLU 63 8.498 -62.688 58.212 540 H HIS 64 H HIS 64 5.612 -64.158 62.040 541 HA HIS 64 HA HIS 64 5.970 -62.326 64.326 542 1HB HIS 64 2HB HIS 64 3.722 -62.188 63.261 543 2HB HIS 64 1HB HIS 64 3.486 -63.896 63.600 544 HD1 HIS 64 HD1 HIS 64 3.578 -60.536 65.256 545 HD2 HIS 64 HD2 HIS 64 2.824 -64.508 66.252 546 HE1 HIS 64 HE1 HIS 64 2.544 -60.481 67.548 547 HE2 HIS 64 HE2 HIS 64 2.120 -62.895 68.153 548 H HIS 65 H HIS 65 6.528 -63.197 66.242 549 HA HIS 65 HA HIS 65 6.488 -66.140 66.479 550 1HB HIS 65 2HB HIS 65 8.551 -64.171 67.462 551 2HB HIS 65 1HB HIS 65 8.455 -65.825 68.054 552 HD1 HIS 65 HD1 HIS 65 10.899 -64.567 66.494 553 HD2 HIS 65 HD2 HIS 65 7.946 -67.016 64.873 554 HE1 HIS 65 HE1 HIS 65 11.932 -65.628 64.459 555 HE2 HIS 65 HE2 HIS 65 10.201 -67.255 63.614 556 H HIS 66 H HIS 66 6.165 -66.984 68.600 557 HA HIS 66 HA HIS 66 5.817 -65.216 70.824 558 1HB HIS 66 2HB HIS 66 3.564 -65.083 69.741 559 2HB HIS 66 1HB HIS 66 3.397 -66.822 69.966 560 HD1 HIS 66 HD1 HIS 66 2.256 -67.498 72.059 561 HD2 HIS 66 HD2 HIS 66 3.966 -63.718 72.367 562 HE1 HIS 66 HE1 HIS 66 1.602 -66.639 74.327 563 HE2 HIS 66 HE2 HIS 66 2.842 -64.461 74.578 564 H HIS 67 H HIS 67 7.464 -66.432 71.687 565 HA HIS 67 HA HIS 67 6.644 -69.081 72.660 566 1HB HIS 67 2HB HIS 67 8.889 -68.481 70.900 567 2HB HIS 67 1HB HIS 67 9.405 -69.281 72.380 568 HD1 HIS 67 HD1 HIS 67 9.212 -71.755 72.410 569 HD2 HIS 67 HD2 HIS 67 6.808 -70.026 69.487 570 HE1 HIS 67 HE1 HIS 67 8.235 -73.671 71.116 571 HE2 HIS 67 HE2 HIS 67 6.924 -72.603 69.247 572 H HIS 68 H HIS 68 6.934 -69.326 74.774 573 HA HIS 68 HA HIS 68 8.594 -67.350 76.182 574 1HB HIS 68 2HB HIS 68 6.101 -67.921 76.798 575 2HB HIS 68 1HB HIS 68 6.817 -69.327 77.578 576 HD1 HIS 68 HD1 HIS 68 6.727 -68.796 80.011 577 HD2 HIS 68 HD2 HIS 68 8.112 -65.593 77.741 578 HE1 HIS 68 HE1 HIS 68 7.376 -67.011 81.664 579 HE2 HIS 68 HE2 HIS 68 7.947 -65.003 80.254 580 H HIS 69 H HIS 69 8.124 -70.712 75.502 581 HA HIS 69 HA HIS 69 10.909 -71.225 76.268 582 1HB HIS 69 2HB HIS 69 8.552 -73.003 76.950 583 2HB HIS 69 1HB HIS 69 10.229 -73.532 77.015 584 HD1 HIS 69 HD1 HIS 69 11.764 -71.900 78.695 585 HD2 HIS 69 HD2 HIS 69 7.656 -72.069 79.329 586 HE1 HIS 69 HE1 HIS 69 11.410 -71.137 81.063 587 HE2 HIS 69 HE2 HIS 69 8.947 -71.451 81.487 588 1H MET 1 1H MET 1 -1.216 -20.939 8.994 589 2H MET 1 2H MET 1 -2.267 -19.649 8.645 590 3H MET 1 3H MET 1 -1.051 -19.464 9.809 591 HA MET 1 HA MET 1 0.647 -19.482 8.252 592 1HB MET 1 2HB MET 1 0.154 -19.869 5.812 593 2HB MET 1 1HB MET 1 0.011 -21.284 6.840 594 1HG MET 1 2HG MET 1 -2.423 -21.016 6.863 595 2HG MET 1 1HG MET 1 -2.273 -19.608 5.815 596 1HE MET 1 1HE MET 1 -0.856 -21.212 2.522 597 2HE MET 1 2HE MET 1 0.079 -20.528 3.853 598 3HE MET 1 3HE MET 1 -1.388 -19.722 3.301 599 HA PRO 2 HA PRO 2 -1.175 -15.376 7.608 600 1HB PRO 2 2HB PRO 2 0.475 -14.027 9.254 601 2HB PRO 2 1HB PRO 2 -0.926 -14.920 9.850 602 1HG PRO 2 2HG PRO 2 1.941 -15.561 10.072 603 2HG PRO 2 1HG PRO 2 0.589 -16.091 11.082 604 1HD PRO 2 2HD PRO 2 1.893 -17.523 8.964 605 2HD PRO 2 1HD PRO 2 0.530 -18.060 9.965 606 H LYS 3 H LYS 3 -0.568 -14.716 5.607 607 HA LYS 3 HA LYS 3 2.261 -14.031 5.208 608 1HB LYS 3 2HB LYS 3 0.455 -15.417 3.225 609 2HB LYS 3 1HB LYS 3 2.044 -14.774 2.841 610 1HG LYS 3 2HG LYS 3 3.023 -16.307 4.513 611 2HG LYS 3 1HG LYS 3 1.415 -16.994 4.764 612 1HD LYS 3 2HD LYS 3 1.344 -17.578 2.357 613 2HD LYS 3 1HD LYS 3 2.998 -16.982 2.195 614 1HE LYS 3 2HE LYS 3 3.747 -18.636 3.843 615 2HE LYS 3 1HE LYS 3 2.095 -19.241 3.977 616 1HZ LYS 3 1HZ LYS 3 3.351 -20.647 2.520 617 2HZ LYS 3 2HZ LYS 3 3.832 -19.331 1.566 618 3HZ LYS 3 3HZ LYS 3 2.204 -19.809 1.590 619 H ILE 4 H ILE 4 2.683 -12.323 3.799 620 HA ILE 4 HA ILE 4 0.391 -10.703 3.021 621 HB ILE 4 HB ILE 4 1.841 -8.783 3.106 622 1HG1 ILE 4 2HG1 ILE 4 3.980 -10.013 2.632 623 2HG1 ILE 4 1HG1 ILE 4 4.066 -8.780 3.865 624 1HG2 ILE 4 1HG2 ILE 4 0.572 -9.303 5.076 625 2HG2 ILE 4 2HG2 ILE 4 2.124 -8.591 5.518 626 3HG2 ILE 4 3HG2 ILE 4 1.878 -10.332 5.669 627 1HD1 ILE 4 1HD1 ILE 4 3.748 -10.725 5.526 628 2HD1 ILE 4 2HD1 ILE 4 5.317 -10.471 4.771 629 3HD1 ILE 4 3HD1 ILE 4 4.250 -11.733 4.168 630 H ILE 5 H ILE 5 0.355 -9.902 0.929 631 HA ILE 5 HA ILE 5 2.331 -11.086 -0.901 632 HB ILE 5 HB ILE 5 -0.288 -9.843 -1.694 633 1HG1 ILE 5 2HG1 ILE 5 -0.773 -11.677 -0.136 634 2HG1 ILE 5 1HG1 ILE 5 -1.248 -12.109 -1.774 635 1HG2 ILE 5 1HG2 ILE 5 -0.011 -11.208 -3.707 636 2HG2 ILE 5 2HG2 ILE 5 1.533 -11.786 -3.079 637 3HG2 ILE 5 3HG2 ILE 5 1.324 -10.079 -3.473 638 1HD1 ILE 5 1HD1 ILE 5 0.755 -13.470 -2.011 639 2HD1 ILE 5 2HD1 ILE 5 -0.188 -13.968 -0.607 640 3HD1 ILE 5 3HD1 ILE 5 1.271 -13.004 -0.389 641 H GLU 6 H GLU 6 3.340 -9.783 -2.408 642 HA GLU 6 HA GLU 6 3.003 -6.888 -2.121 643 1HB GLU 6 2HB GLU 6 5.554 -8.300 -2.904 644 2HB GLU 6 1HB GLU 6 5.342 -6.603 -2.547 645 1HG GLU 6 2HG GLU 6 6.205 -7.179 -0.561 646 2HG GLU 6 1HG GLU 6 4.547 -7.660 -0.213 647 H ALA 7 H ALA 7 2.999 -5.711 -4.076 648 HA ALA 7 HA ALA 7 3.361 -7.152 -6.588 649 1HB ALA 7 1HB ALA 7 1.115 -6.643 -7.401 650 2HB ALA 7 2HB ALA 7 0.693 -5.916 -5.852 651 3HB ALA 7 3HB ALA 7 1.027 -7.646 -5.954 652 H VAL 8 H VAL 8 3.157 -5.692 -8.468 653 HA VAL 8 HA VAL 8 3.567 -2.872 -7.780 654 HB VAL 8 HB VAL 8 4.777 -2.764 -9.990 655 1HG1 VAL 8 1HG1 VAL 8 5.952 -2.704 -7.868 656 2HG1 VAL 8 2HG1 VAL 8 6.875 -3.614 -9.064 657 3HG1 VAL 8 3HG1 VAL 8 5.966 -4.467 -7.818 658 1HG2 VAL 8 1HG2 VAL 8 4.788 -5.758 -9.686 659 2HG2 VAL 8 2HG2 VAL 8 5.740 -4.843 -10.856 660 3HG2 VAL 8 3HG2 VAL 8 3.981 -4.845 -10.962 661 H TYR 9 H TYR 9 2.053 -1.552 -8.428 662 HA TYR 9 HA TYR 9 -0.079 -2.417 -10.215 663 1HB TYR 9 2HB TYR 9 -0.567 -1.199 -8.135 664 2HB TYR 9 1HB TYR 9 0.412 0.154 -8.669 665 HD1 TYR 9 HD1 TYR 9 -2.776 -1.608 -9.087 666 HD2 TYR 9 HD2 TYR 9 -0.460 1.775 -10.226 667 HE1 TYR 9 HE1 TYR 9 -4.795 -0.528 -9.972 668 HE2 TYR 9 HE2 TYR 9 -2.471 2.858 -11.123 669 HH TYR 9 HH TYR 9 -4.690 2.250 -11.940 670 H GLU 10 H GLU 10 0.485 -2.446 -12.280 671 HA GLU 10 HA GLU 10 1.540 0.034 -13.440 672 1HB GLU 10 2HB GLU 10 2.380 -1.465 -15.274 673 2HB GLU 10 1HB GLU 10 3.174 -1.661 -13.728 674 1HG GLU 10 2HG GLU 10 1.898 -3.664 -13.289 675 2HG GLU 10 1HG GLU 10 1.018 -3.454 -14.802 676 H ASN 11 H ASN 11 0.185 1.069 -14.714 677 HA ASN 11 HA ASN 11 -1.407 1.562 -16.251 678 1HB ASN 11 2HB ASN 11 -0.118 -0.497 -17.330 679 2HB ASN 11 1HB ASN 11 -1.683 -1.265 -17.122 680 1HD2 ASN 11 1HD2 ASN 11 -3.414 -0.615 -18.368 681 2HD2 ASN 11 2HD2 ASN 11 -3.245 0.459 -19.716 682 H GLY 12 H GLY 12 -2.124 0.403 -13.531 683 1HA GLY 12 2HA GLY 12 -4.341 0.606 -12.644 684 2HA GLY 12 1HA GLY 12 -4.969 0.063 -14.193 685 H VAL 13 H VAL 13 -2.343 -1.790 -13.421 686 HA VAL 13 HA VAL 13 -4.068 -3.901 -12.245 687 HB VAL 13 HB VAL 13 -1.545 -4.351 -13.751 688 1HG1 VAL 13 1HG1 VAL 13 -2.532 -6.574 -14.165 689 2HG1 VAL 13 2HG1 VAL 13 -3.923 -6.108 -13.183 690 3HG1 VAL 13 3HG1 VAL 13 -2.317 -6.206 -12.454 691 1HG2 VAL 13 1HG2 VAL 13 -4.310 -4.211 -14.964 692 2HG2 VAL 13 2HG2 VAL 13 -2.870 -4.804 -15.791 693 3HG2 VAL 13 3HG2 VAL 13 -2.965 -3.117 -15.286 694 H PHE 14 H PHE 14 -3.272 -4.951 -10.425 695 HA PHE 14 HA PHE 14 -0.554 -4.263 -9.574 696 1HB PHE 14 2HB PHE 14 -2.753 -5.774 -8.170 697 2HB PHE 14 1HB PHE 14 -1.146 -5.553 -7.519 698 HD1 PHE 14 HD1 PHE 14 -0.387 -3.332 -6.793 699 HD2 PHE 14 HD2 PHE 14 -4.386 -4.036 -8.078 700 HE1 PHE 14 HE1 PHE 14 -1.097 -1.242 -5.713 701 HE2 PHE 14 HE2 PHE 14 -5.097 -1.939 -6.998 702 HZ PHE 14 HZ PHE 14 -3.449 -0.542 -5.815 703 H LYS 15 H LYS 15 0.987 -5.539 -10.385 704 HA LYS 15 HA LYS 15 0.421 -8.399 -10.751 705 1HB LYS 15 2HB LYS 15 2.488 -6.540 -11.873 706 2HB LYS 15 1HB LYS 15 2.895 -8.238 -11.709 707 1HG LYS 15 2HG LYS 15 2.148 -8.034 -13.892 708 2HG LYS 15 1HG LYS 15 0.758 -8.690 -13.026 709 1HD LYS 15 2HD LYS 15 -0.290 -6.548 -12.947 710 2HD LYS 15 1HD LYS 15 1.157 -5.761 -13.582 711 1HE LYS 15 2HE LYS 15 -0.528 -7.783 -15.059 712 2HE LYS 15 1HE LYS 15 -0.586 -6.037 -15.303 713 1HZ LYS 15 1HZ LYS 15 1.850 -6.200 -15.866 714 2HZ LYS 15 2HZ LYS 15 0.795 -6.898 -16.987 715 3HZ LYS 15 3HZ LYS 15 1.654 -7.888 -15.916 716 HA PRO 16 HA PRO 16 2.443 -8.853 -6.738 717 1HB PRO 16 2HB PRO 16 2.424 -11.691 -7.539 718 2HB PRO 16 1HB PRO 16 1.813 -10.931 -6.069 719 1HG PRO 16 2HG PRO 16 0.192 -11.849 -8.036 720 2HG PRO 16 1HG PRO 16 -0.230 -10.480 -6.999 721 1HD PRO 16 2HD PRO 16 0.610 -10.500 -9.837 722 2HD PRO 16 1HD PRO 16 -0.381 -9.327 -8.952 723 H LEU 17 H LEU 17 4.329 -9.801 -5.994 724 HA LEU 17 HA LEU 17 6.435 -10.120 -7.918 725 1HB LEU 17 2HB LEU 17 6.362 -10.141 -4.911 726 2HB LEU 17 1HB LEU 17 7.797 -10.628 -5.797 727 HG LEU 17 HG LEU 17 7.641 -8.339 -6.952 728 1HD1 LEU 17 1HD1 LEU 17 5.396 -7.763 -6.297 729 2HD1 LEU 17 2HD1 LEU 17 6.557 -6.576 -5.701 730 3HD1 LEU 17 3HD1 LEU 17 5.875 -7.773 -4.599 731 1HD2 LEU 17 1HD2 LEU 17 9.369 -8.916 -5.351 732 2HD2 LEU 17 2HD2 LEU 17 8.288 -8.504 -4.018 733 3HD2 LEU 17 3HD2 LEU 17 8.840 -7.249 -5.127 734 H GLN 18 H GLN 18 5.469 -12.083 -5.176 735 HA GLN 18 HA GLN 18 6.296 -14.463 -6.646 736 1HB GLN 18 2HB GLN 18 5.929 -15.716 -4.593 737 2HB GLN 18 1HB GLN 18 6.972 -14.338 -4.298 738 1HG GLN 18 2HG GLN 18 4.047 -14.114 -3.763 739 2HG GLN 18 1HG GLN 18 5.088 -14.960 -2.623 740 1HE2 GLN 18 1HE2 GLN 18 3.601 -12.562 -2.180 741 2HE2 GLN 18 2HE2 GLN 18 4.753 -11.338 -1.744 742 H LYS 19 H LYS 19 4.905 -16.265 -6.948 743 HA LYS 19 HA LYS 19 2.434 -15.476 -8.040 744 1HB LYS 19 2HB LYS 19 3.788 -17.268 -8.991 745 2HB LYS 19 1HB LYS 19 3.554 -18.234 -7.541 746 1HG LYS 19 2HG LYS 19 1.149 -18.317 -7.999 747 2HG LYS 19 1HG LYS 19 1.411 -17.367 -9.462 748 1HD LYS 19 2HD LYS 19 2.768 -19.120 -10.413 749 2HD LYS 19 1HD LYS 19 2.664 -20.058 -8.922 750 1HE LYS 19 2HE LYS 19 1.129 -20.935 -10.592 751 2HE LYS 19 1HE LYS 19 0.234 -20.253 -9.233 752 1HZ LYS 19 1HZ LYS 19 0.716 -18.930 -11.854 753 2HZ LYS 19 2HZ LYS 19 -0.116 -18.239 -10.545 754 3HZ LYS 19 3HZ LYS 19 -0.753 -19.602 -11.326 755 H VAL 20 H VAL 20 0.398 -15.694 -7.342 756 HA VAL 20 HA VAL 20 -0.073 -16.937 -4.711 757 HB VAL 20 HB VAL 20 -1.822 -14.753 -5.712 758 1HG1 VAL 20 1HG1 VAL 20 -1.086 -15.667 -2.943 759 2HG1 VAL 20 2HG1 VAL 20 -2.557 -16.076 -3.823 760 3HG1 VAL 20 3HG1 VAL 20 -2.257 -14.407 -3.343 761 1HG2 VAL 20 1HG2 VAL 20 0.724 -14.288 -4.164 762 2HG2 VAL 20 2HG2 VAL 20 -0.517 -13.078 -4.486 763 3HG2 VAL 20 3HG2 VAL 20 0.400 -13.776 -5.820 764 H ASP 21 H ASP 21 -1.602 -18.313 -4.555 765 HA ASP 21 HA ASP 21 -3.237 -18.759 -6.945 766 1HB ASP 21 2HB ASP 21 -1.732 -20.598 -6.402 767 2HB ASP 21 1HB ASP 21 -2.440 -20.708 -4.800 768 H LEU 22 H LEU 22 -4.577 -17.259 -6.303 769 HA LEU 22 HA LEU 22 -6.461 -17.964 -4.166 770 1HB LEU 22 2HB LEU 22 -5.988 -15.393 -5.667 771 2HB LEU 22 1HB LEU 22 -7.307 -15.641 -4.555 772 HG LEU 22 HG LEU 22 -4.390 -15.755 -3.827 773 1HD1 LEU 22 1HD1 LEU 22 -6.469 -13.631 -3.323 774 2HD1 LEU 22 2HD1 LEU 22 -5.069 -13.496 -4.390 775 3HD1 LEU 22 3HD1 LEU 22 -4.840 -13.646 -2.648 776 1HD2 LEU 22 1HD2 LEU 22 -5.207 -15.773 -1.513 777 2HD2 LEU 22 2HD2 LEU 22 -5.740 -17.197 -2.408 778 3HD2 LEU 22 3HD2 LEU 22 -6.865 -15.872 -2.107 779 H LYS 23 H LYS 23 -8.767 -16.896 -4.956 780 HA LYS 23 HA LYS 23 -9.552 -18.384 -7.291 781 1HB LYS 23 2HB LYS 23 -11.141 -16.435 -5.626 782 2HB LYS 23 1HB LYS 23 -11.789 -17.514 -6.838 783 1HG LYS 23 2HG LYS 23 -11.079 -19.435 -5.442 784 2HG LYS 23 1HG LYS 23 -10.594 -18.283 -4.191 785 1HD LYS 23 2HD LYS 23 -12.912 -17.370 -4.224 786 2HD LYS 23 1HD LYS 23 -13.360 -18.656 -5.344 787 1HE LYS 23 2HE LYS 23 -12.674 -20.309 -3.622 788 2HE LYS 23 1HE LYS 23 -12.392 -18.968 -2.508 789 1HZ LYS 23 1HZ LYS 23 -14.971 -19.737 -3.762 790 2HZ LYS 23 2HZ LYS 23 -14.747 -18.326 -2.853 791 3HZ LYS 23 3HZ LYS 23 -14.572 -19.844 -2.116 792 H GLU 24 H GLU 24 -10.557 -17.348 -9.193 793 HA GLU 24 HA GLU 24 -9.469 -14.815 -9.871 794 1HB GLU 24 2HB GLU 24 -11.641 -16.490 -11.128 795 2HB GLU 24 1HB GLU 24 -11.098 -14.976 -11.791 796 1HG GLU 24 2HG GLU 24 -10.025 -16.686 -13.010 797 2HG GLU 24 1HG GLU 24 -8.810 -15.952 -11.974 798 H GLY 25 H GLY 25 -10.250 -12.918 -9.609 799 1HA GLY 25 2HA GLY 25 -11.308 -11.287 -8.420 800 2HA GLY 25 1HA GLY 25 -12.794 -12.167 -8.739 801 H GLU 26 H GLU 26 -9.871 -12.740 -6.858 802 HA GLU 26 HA GLU 26 -11.490 -13.231 -4.478 803 1HB GLU 26 2HB GLU 26 -8.821 -13.918 -5.353 804 2HB GLU 26 1HB GLU 26 -8.769 -13.143 -3.771 805 1HG GLU 26 2HG GLU 26 -10.437 -15.530 -4.502 806 2HG GLU 26 1HG GLU 26 -8.902 -15.578 -3.656 807 H ARG 27 H ARG 27 -11.160 -11.972 -2.542 808 HA ARG 27 HA ARG 27 -10.761 -9.167 -3.327 809 1HB ARG 27 2HB ARG 27 -13.036 -9.761 -2.679 810 2HB ARG 27 1HB ARG 27 -12.459 -10.297 -1.113 811 1HG ARG 27 2HG ARG 27 -11.953 -8.104 -0.436 812 2HG ARG 27 1HG ARG 27 -12.093 -7.487 -2.087 813 1HD ARG 27 2HD ARG 27 -14.442 -7.842 -2.113 814 2HD ARG 27 1HD ARG 27 -14.385 -8.740 -0.595 815 HE ARG 27 HE ARG 27 -13.779 -5.856 -0.769 816 1HH1 ARG 27 1HH1 ARG 27 -15.286 -8.600 0.810 817 2HH1 ARG 27 2HH1 ARG 27 -15.972 -7.641 2.088 818 1HH2 ARG 27 1HH2 ARG 27 -14.667 -4.600 0.902 819 2HH2 ARG 27 2HH2 ARG 27 -15.614 -5.369 2.149 820 H VAL 28 H VAL 28 -9.411 -7.902 -2.299 821 HA VAL 28 HA VAL 28 -7.996 -8.867 0.072 822 HB VAL 28 HB VAL 28 -5.800 -8.465 -0.970 823 1HG1 VAL 28 1HG1 VAL 28 -7.501 -10.420 -2.521 824 2HG1 VAL 28 2HG1 VAL 28 -6.677 -10.737 -0.994 825 3HG1 VAL 28 3HG1 VAL 28 -5.738 -10.419 -2.451 826 1HG2 VAL 28 1HG2 VAL 28 -5.661 -8.198 -3.430 827 2HG2 VAL 28 2HG2 VAL 28 -6.418 -6.824 -2.623 828 3HG2 VAL 28 3HG2 VAL 28 -7.415 -8.005 -3.474 829 H LYS 29 H LYS 29 -6.478 -7.196 0.941 830 HA LYS 29 HA LYS 29 -7.409 -4.446 0.374 831 1HB LYS 29 2HB LYS 29 -6.691 -5.778 2.963 832 2HB LYS 29 1HB LYS 29 -6.730 -4.042 2.781 833 1HG LYS 29 2HG LYS 29 -9.100 -5.726 2.086 834 2HG LYS 29 1HG LYS 29 -8.792 -5.194 3.728 835 1HD LYS 29 2HD LYS 29 -8.737 -2.847 2.903 836 2HD LYS 29 1HD LYS 29 -9.234 -3.450 1.319 837 1HE LYS 29 2HE LYS 29 -11.299 -4.243 2.174 838 2HE LYS 29 1HE LYS 29 -10.779 -3.997 3.839 839 1HZ LYS 29 1HZ LYS 29 -12.318 -2.284 3.083 840 2HZ LYS 29 2HZ LYS 29 -11.239 -1.828 1.859 841 3HZ LYS 29 3HZ LYS 29 -10.810 -1.624 3.485 842 H ILE 30 H ILE 30 -5.927 -2.979 0.089 843 HA ILE 30 HA ILE 30 -3.095 -3.869 -0.023 844 HB ILE 30 HB ILE 30 -4.203 -1.712 -1.766 845 1HG1 ILE 30 2HG1 ILE 30 -4.269 -4.629 -2.535 846 2HG1 ILE 30 1HG1 ILE 30 -5.685 -3.749 -1.978 847 1HG2 ILE 30 1HG2 ILE 30 -1.990 -3.717 -2.116 848 2HG2 ILE 30 2HG2 ILE 30 -1.814 -2.009 -1.708 849 3HG2 ILE 30 3HG2 ILE 30 -2.442 -2.478 -3.287 850 1HD1 ILE 30 1HD1 ILE 30 -5.634 -3.920 -4.393 851 2HD1 ILE 30 2HD1 ILE 30 -4.068 -3.113 -4.430 852 3HD1 ILE 30 3HD1 ILE 30 -5.495 -2.240 -3.874 853 H LYS 31 H LYS 31 -1.559 -2.383 0.654 854 HA LYS 31 HA LYS 31 -2.277 0.351 1.027 855 1HB LYS 31 2HB LYS 31 -1.431 0.441 3.311 856 2HB LYS 31 1HB LYS 31 -2.908 -0.489 3.189 857 1HG LYS 31 2HG LYS 31 -1.784 -2.492 3.507 858 2HG LYS 31 1HG LYS 31 -0.211 -1.781 3.166 859 1HD LYS 31 2HD LYS 31 -0.648 -2.246 5.596 860 2HD LYS 31 1HD LYS 31 -0.206 -0.584 5.224 861 1HE LYS 31 2HE LYS 31 -2.008 -0.565 6.809 862 2HE LYS 31 1HE LYS 31 -2.612 0.019 5.261 863 1HZ LYS 31 1HZ LYS 31 -2.980 -2.714 6.351 864 2HZ LYS 31 2HZ LYS 31 -3.559 -2.168 4.853 865 3HZ LYS 31 3HZ LYS 31 -4.162 -1.499 6.289 866 H LEU 32 H LEU 32 -0.421 1.630 1.642 867 HA LEU 32 HA LEU 32 2.092 0.542 0.623 868 1HB LEU 32 2HB LEU 32 1.161 3.364 1.111 869 2HB LEU 32 1HB LEU 32 2.790 2.942 0.650 870 HG LEU 32 HG LEU 32 1.618 3.728 -1.267 871 1HD1 LEU 32 1HD1 LEU 32 1.965 0.748 -1.386 872 2HD1 LEU 32 2HD1 LEU 32 3.211 1.965 -1.663 873 3HD1 LEU 32 3HD1 LEU 32 1.853 1.819 -2.781 874 1HD2 LEU 32 1HD2 LEU 32 -0.356 2.619 -2.174 875 2HD2 LEU 32 2HD2 LEU 32 -0.668 3.312 -0.582 876 3HD2 LEU 32 3HD2 LEU 32 -0.415 1.575 -0.754 877 H GLU 33 H GLU 33 3.695 0.144 2.041 878 HA GLU 33 HA GLU 33 3.198 0.775 4.826 879 1HB GLU 33 2HB GLU 33 5.282 -0.945 3.490 880 2HB GLU 33 1HB GLU 33 5.215 -0.656 5.210 881 1HG GLU 33 2HG GLU 33 2.932 -1.610 5.251 882 2HG GLU 33 1HG GLU 33 3.112 -1.997 3.544 883 H LEU 34 H LEU 34 4.777 1.830 6.134 884 HA LEU 34 HA LEU 34 6.039 3.948 4.546 885 1HB LEU 34 2HB LEU 34 4.831 4.058 7.305 886 2HB LEU 34 1HB LEU 34 5.671 5.389 6.538 887 HG LEU 34 HG LEU 34 3.151 4.110 5.526 888 1HD1 LEU 34 1HD1 LEU 34 3.600 6.762 6.877 889 2HD1 LEU 34 2HD1 LEU 34 2.751 5.373 7.557 890 3HD1 LEU 34 3HD1 LEU 34 2.079 6.221 6.164 891 1HD2 LEU 34 1HD2 LEU 34 3.085 5.978 3.946 892 2HD2 LEU 34 2HD2 LEU 34 4.512 4.968 3.712 893 3HD2 LEU 34 3HD2 LEU 34 4.657 6.519 4.538 894 H LYS 35 H LYS 35 7.434 5.262 6.329 895 HA LYS 35 HA LYS 35 9.741 3.575 6.737 896 1HB LYS 35 2HB LYS 35 9.425 6.474 7.486 897 2HB LYS 35 1HB LYS 35 10.896 5.607 7.125 898 1HG LYS 35 2HG LYS 35 10.490 5.617 4.823 899 2HG LYS 35 1HG LYS 35 8.792 6.051 5.049 900 1HD LYS 35 2HD LYS 35 11.139 7.815 5.753 901 2HD LYS 35 1HD LYS 35 10.165 7.955 4.287 902 1HE LYS 35 2HE LYS 35 8.223 8.537 5.519 903 2HE LYS 35 1HE LYS 35 8.976 8.096 7.048 904 1HZ LYS 35 1HZ LYS 35 9.920 10.333 5.332 905 2HZ LYS 35 2HZ LYS 35 10.416 9.966 6.916 906 3HZ LYS 35 3HZ LYS 35 8.842 10.520 6.627 907 H VAL 36 H VAL 36 10.750 3.272 8.780 908 HA VAL 36 HA VAL 36 9.194 4.119 11.103 909 HB VAL 36 HB VAL 36 9.929 1.825 11.187 910 1HG1 VAL 36 1HG1 VAL 36 12.730 2.894 10.974 911 2HG1 VAL 36 2HG1 VAL 36 11.885 1.950 9.748 912 3HG1 VAL 36 3HG1 VAL 36 12.297 1.216 11.296 913 1HG2 VAL 36 1HG2 VAL 36 11.492 3.539 13.097 914 2HG2 VAL 36 2HG2 VAL 36 11.149 1.824 13.315 915 3HG2 VAL 36 3HG2 VAL 36 9.827 2.992 13.304 916 H GLU 37 H GLU 37 9.939 5.642 12.489 917 HA GLU 37 HA GLU 37 11.817 7.465 11.347 918 1HB GLU 37 2HB GLU 37 11.211 8.806 13.458 919 2HB GLU 37 1HB GLU 37 10.016 8.610 12.199 920 1HG GLU 37 2HG GLU 37 9.048 6.740 13.553 921 2HG GLU 37 1HG GLU 37 10.162 7.201 14.843 922 HA PRO 38 HA PRO 38 15.423 6.145 13.203 923 1HB PRO 38 2HB PRO 38 16.450 8.880 13.251 924 2HB PRO 38 1HB PRO 38 16.922 7.526 12.222 925 1HG PRO 38 2HG PRO 38 15.581 9.659 11.262 926 2HG PRO 38 1HG PRO 38 15.341 8.022 10.619 927 1HD PRO 38 2HD PRO 38 13.657 9.559 12.567 928 2HD PRO 38 1HD PRO 38 13.155 8.567 11.180 929 H ILE 39 H ILE 39 17.252 7.724 14.646 930 HA ILE 39 HA ILE 39 16.303 7.136 17.279 931 HB ILE 39 HB ILE 39 18.626 7.975 17.925 932 1HG1 ILE 39 2HG1 ILE 39 20.290 7.801 16.026 933 2HG1 ILE 39 1HG1 ILE 39 18.932 7.920 14.920 934 1HG2 ILE 39 1HG2 ILE 39 18.295 5.603 16.113 935 2HG2 ILE 39 2HG2 ILE 39 18.046 5.646 17.860 936 3HG2 ILE 39 3HG2 ILE 39 19.664 5.868 17.191 937 1HD1 ILE 39 1HD1 ILE 39 20.030 10.055 15.166 938 2HD1 ILE 39 2HD1 ILE 39 19.795 10.002 16.914 939 3HD1 ILE 39 3HD1 ILE 39 18.403 10.131 15.838 940 H ASP 40 H ASP 40 17.160 8.712 19.028 941 HA ASP 40 HA ASP 40 15.822 11.263 18.599 942 1HB ASP 40 2HB ASP 40 15.156 10.159 20.592 943 2HB ASP 40 1HB ASP 40 16.820 9.817 21.048 944 H LEU 41 H LEU 41 16.845 13.143 18.406 945 HA LEU 41 HA LEU 41 19.785 13.121 18.591 946 1HB LEU 41 2HB LEU 41 18.816 13.473 16.328 947 2HB LEU 41 1HB LEU 41 17.999 14.903 16.926 948 HG LEU 41 HG LEU 41 20.243 15.902 17.419 949 1HD1 LEU 41 1HD1 LEU 41 21.228 13.491 15.902 950 2HD1 LEU 41 2HD1 LEU 41 21.526 13.846 17.604 951 3HD1 LEU 41 3HD1 LEU 41 22.202 14.890 16.351 952 1HD2 LEU 41 1HD2 LEU 41 19.026 16.469 15.390 953 2HD2 LEU 41 2HD2 LEU 41 19.717 15.072 14.567 954 3HD2 LEU 41 3HD2 LEU 41 20.761 16.403 15.072 955 H GLY 42 H GLY 42 20.831 14.817 19.626 956 1HA GLY 42 2HA GLY 42 19.075 16.465 21.321 957 2HA GLY 42 1HA GLY 42 20.705 15.965 21.745 958 H GLU 43 H GLU 43 21.525 18.010 22.066 959 HA GLU 43 HA GLU 43 21.721 19.668 19.661 960 1HB GLU 43 2HB GLU 43 21.886 21.599 21.285 961 2HB GLU 43 1HB GLU 43 20.301 20.874 21.097 962 1HG GLU 43 2HG GLU 43 20.627 19.640 23.176 963 2HG GLU 43 1HG GLU 43 22.230 20.356 23.352 964 HA PRO 44 HA PRO 44 26.077 18.883 20.219 965 1HB PRO 44 2HB PRO 44 26.297 21.076 18.241 966 2HB PRO 44 1HB PRO 44 26.937 19.431 18.167 967 1HG PRO 44 2HG PRO 44 24.851 20.166 16.669 968 2HG PRO 44 1HG PRO 44 24.937 18.551 17.393 969 1HD PRO 44 2HD PRO 44 23.359 20.937 18.269 970 2HD PRO 44 1HD PRO 44 22.889 19.224 18.238 971 H VAL 45 H VAL 45 27.360 19.733 21.744 972 HA VAL 45 HA VAL 45 26.728 22.321 22.827 973 HB VAL 45 HB VAL 45 27.175 20.565 24.366 974 1HG1 VAL 45 1HG1 VAL 45 29.910 20.362 23.140 975 2HG1 VAL 45 2HG1 VAL 45 28.623 19.157 23.038 976 3HG1 VAL 45 3HG1 VAL 45 29.380 19.515 24.591 977 1HG2 VAL 45 1HG2 VAL 45 27.790 22.764 25.139 978 2HG2 VAL 45 2HG2 VAL 45 29.390 22.598 24.418 979 3HG2 VAL 45 3HG2 VAL 45 28.929 21.578 25.780 980 H SER 46 H SER 46 28.157 23.982 23.134 981 HA SER 46 HA SER 46 30.118 24.279 20.978 982 1HB SER 46 2HB SER 46 28.691 26.416 22.578 983 2HB SER 46 1HB SER 46 29.700 26.658 21.163 984 HG SER 46 HG SER 46 27.677 26.663 20.378 985 H VAL 47 H VAL 47 31.767 26.162 21.701 986 HA VAL 47 HA VAL 47 33.294 25.298 23.901 987 HB VAL 47 HB VAL 47 34.239 26.680 22.089 988 1HG1 VAL 47 1HG1 VAL 47 32.374 28.182 21.698 989 2HG1 VAL 47 2HG1 VAL 47 33.845 29.096 22.024 990 3HG1 VAL 47 3HG1 VAL 47 32.618 28.927 23.279 991 1HG2 VAL 47 1HG2 VAL 47 34.460 27.950 24.811 992 2HG2 VAL 47 2HG2 VAL 47 35.569 28.210 23.464 993 3HG2 VAL 47 3HG2 VAL 47 35.426 26.610 24.191 994 H GLU 48 H GLU 48 33.414 26.045 26.028 995 HA GLU 48 HA GLU 48 30.906 26.735 27.126 996 1HB GLU 48 2HB GLU 48 32.025 26.747 29.299 997 2HB GLU 48 1HB GLU 48 32.415 25.319 28.366 998 1HG GLU 48 2HG GLU 48 34.215 27.717 28.581 999 2HG GLU 48 1HG GLU 48 34.309 26.318 29.647 1000 H GLU 49 H GLU 49 30.033 28.562 27.641 1001 HA GLU 49 HA GLU 49 31.342 31.049 27.015 1002 1HB GLU 49 2HB GLU 49 28.930 30.726 26.546 1003 2HB GLU 49 1HB GLU 49 28.632 30.547 28.270 1004 1HG GLU 49 2HG GLU 49 29.484 32.846 28.605 1005 2HG GLU 49 1HG GLU 49 29.613 33.013 26.855 1006 H ILE 50 H ILE 50 30.739 29.102 29.757 1007 HA ILE 50 HA ILE 50 31.057 31.059 31.792 1008 HB ILE 50 HB ILE 50 29.975 28.799 32.049 1009 1HG1 ILE 50 2HG1 ILE 50 32.181 29.422 34.023 1010 2HG1 ILE 50 1HG1 ILE 50 30.596 30.184 34.001 1011 1HG2 ILE 50 1HG2 ILE 50 31.631 27.460 30.897 1012 2HG2 ILE 50 2HG2 ILE 50 31.417 26.881 32.550 1013 3HG2 ILE 50 3HG2 ILE 50 32.832 27.847 32.128 1014 1HD1 ILE 50 1HD1 ILE 50 31.169 27.276 34.516 1015 2HD1 ILE 50 2HD1 ILE 50 29.564 28.005 34.453 1016 3HD1 ILE 50 3HD1 ILE 50 30.700 28.486 35.711 1017 H LYS 51 H LYS 51 33.200 30.053 29.552 1018 HA LYS 51 HA LYS 51 35.584 29.528 30.925 1019 1HB LYS 51 2HB LYS 51 35.019 29.380 28.398 1020 2HB LYS 51 1HB LYS 51 35.499 31.068 28.346 1021 1HG LYS 51 2HG LYS 51 37.325 29.598 27.687 1022 2HG LYS 51 1HG LYS 51 37.711 30.476 29.170 1023 1HD LYS 51 2HD LYS 51 37.503 28.589 30.497 1024 2HD LYS 51 1HD LYS 51 36.485 27.752 29.324 1025 1HE LYS 51 2HE LYS 51 39.418 28.352 28.980 1026 2HE LYS 51 1HE LYS 51 38.750 26.795 29.471 1027 1HZ LYS 51 1HZ LYS 51 38.501 28.154 26.860 1028 2HZ LYS 51 2HZ LYS 51 37.427 26.927 27.318 1029 3HZ LYS 51 3HZ LYS 51 39.088 26.596 27.184 1030 H LYS 52 H LYS 52 37.117 30.815 31.815 1031 HA LYS 52 HA LYS 52 36.449 33.668 32.068 1032 1HB LYS 52 2HB LYS 52 35.620 32.375 34.000 1033 2HB LYS 52 1HB LYS 52 37.242 31.771 34.282 1034 1HG LYS 52 2HG LYS 52 36.761 33.512 35.847 1035 2HG LYS 52 1HG LYS 52 37.992 34.080 34.716 1036 1HD LYS 52 2HD LYS 52 36.542 35.535 33.664 1037 2HD LYS 52 1HD LYS 52 35.106 34.638 34.175 1038 1HE LYS 52 2HE LYS 52 36.921 36.183 36.025 1039 2HE LYS 52 1HE LYS 52 35.408 36.805 35.362 1040 1HZ LYS 52 1HZ LYS 52 34.206 35.046 36.473 1041 2HZ LYS 52 2HZ LYS 52 35.141 35.887 37.609 1042 3HZ LYS 52 3HZ LYS 52 35.646 34.368 37.059 1043 H ILE 53 H ILE 53 38.160 35.053 32.059 1044 HA ILE 53 HA ILE 53 40.838 33.895 32.014 1045 HB ILE 53 HB ILE 53 41.240 36.276 30.939 1046 1HG1 ILE 53 2HG1 ILE 53 39.360 36.491 29.220 1047 2HG1 ILE 53 1HG1 ILE 53 38.387 35.589 30.359 1048 1HG2 ILE 53 1HG2 ILE 53 41.198 35.170 28.749 1049 2HG2 ILE 53 2HG2 ILE 53 40.298 33.833 29.463 1050 3HG2 ILE 53 3HG2 ILE 53 41.948 34.162 29.990 1051 1HD1 ILE 53 1HD1 ILE 53 38.724 37.307 32.037 1052 2HD1 ILE 53 2HD1 ILE 53 38.045 37.999 30.563 1053 3HD1 ILE 53 3HD1 ILE 53 39.757 38.210 30.929 1054 H ARG 54 H ARG 54 42.563 35.292 32.880 1055 HA ARG 54 HA ARG 54 41.765 37.464 34.622 1056 1HB ARG 54 2HB ARG 54 42.974 36.538 36.533 1057 2HB ARG 54 1HB ARG 54 41.638 35.497 36.083 1058 1HG ARG 54 2HG ARG 54 43.117 33.933 35.062 1059 2HG ARG 54 1HG ARG 54 44.486 35.031 35.236 1060 1HD ARG 54 2HD ARG 54 44.240 34.868 37.697 1061 2HD ARG 54 1HD ARG 54 42.960 33.679 37.459 1062 HE ARG 54 HE ARG 54 44.795 32.419 36.173 1063 1HH1 ARG 54 1HH1 ARG 54 45.302 34.370 39.049 1064 2HH1 ARG 54 2HH1 ARG 54 46.733 33.503 39.525 1065 1HH2 ARG 54 1HH2 ARG 54 46.680 31.304 36.796 1066 2HH2 ARG 54 2HH2 ARG 54 47.524 31.784 38.244 1067 H ASP 55 H ASP 55 43.460 38.909 35.048 1068 HA ASP 55 HA ASP 55 46.181 38.250 34.358 1069 1HB ASP 55 2HB ASP 55 44.927 38.979 32.175 1070 2HB ASP 55 1HB ASP 55 45.044 40.599 32.857 1071 H GLY 56 H GLY 56 47.131 40.917 34.195 1072 1HA GLY 56 2HA GLY 56 46.075 42.571 36.233 1073 2HA GLY 56 1HA GLY 56 47.357 41.570 36.900 1074 H THR 57 H THR 57 46.787 44.531 35.742 1075 HA THR 57 HA THR 57 49.334 44.797 34.314 1076 HB THR 57 HB THR 57 47.540 47.126 34.823 1077 HG1 THR 57 HG1 THR 57 46.031 45.623 34.151 1078 1HG2 THR 57 1HG2 THR 57 48.238 47.704 32.535 1079 2HG2 THR 57 2HG2 THR 57 49.151 46.196 32.446 1080 3HG2 THR 57 3HG2 THR 57 49.619 47.447 33.599 1081 H TRP 58 H TRP 58 51.091 45.622 35.281 1082 HA TRP 58 HA TRP 58 50.980 46.129 38.093 1083 1HB TRP 58 2HB TRP 58 53.146 45.788 36.046 1084 2HB TRP 58 1HB TRP 58 53.511 46.366 37.655 1085 HD1 TRP 58 HD1 TRP 58 52.973 44.648 39.712 1086 HE1 TRP 58 HE1 TRP 58 52.984 42.078 39.761 1087 HE3 TRP 58 HE3 TRP 58 52.724 43.754 34.683 1088 HZ2 TRP 58 HZ2 TRP 58 52.914 39.955 37.906 1089 HZ3 TRP 58 HZ3 TRP 58 52.712 41.420 33.900 1090 HH2 TRP 58 HH2 TRP 58 52.806 39.558 35.484 1091 H MET 59 H MET 59 51.897 47.953 39.120 1092 HA MET 59 HA MET 59 52.326 50.370 37.544 1093 1HB MET 59 2HB MET 59 50.760 51.693 38.783 1094 2HB MET 59 1HB MET 59 49.884 50.278 38.212 1095 1HG MET 59 2HG MET 59 50.097 49.246 40.406 1096 2HG MET 59 1HG MET 59 51.010 50.638 40.979 1097 1HE MET 59 1HE MET 59 49.453 51.047 43.031 1098 2HE MET 59 2HE MET 59 48.542 49.601 42.598 1099 3HE MET 59 3HE MET 59 47.693 51.106 42.943 1100 H SER 60 H SER 60 53.524 51.985 38.729 1101 HA SER 60 HA SER 60 55.186 50.859 40.792 1102 1HB SER 60 2HB SER 60 55.977 52.473 38.994 1103 2HB SER 60 1HB SER 60 55.137 53.740 39.885 1104 HG SER 60 HG SER 60 57.480 52.378 40.479 1105 H SER 61 H SER 61 55.084 51.215 42.923 1106 HA SER 61 HA SER 61 52.570 52.223 43.934 1107 1HB SER 61 2HB SER 61 53.428 51.359 46.121 1108 2HB SER 61 1HB SER 61 53.397 50.146 44.845 1109 HG SER 61 HG SER 61 55.457 50.908 46.320 1110 H LEU 62 H LEU 62 54.975 53.941 42.947 1111 HA LEU 62 HA LEU 62 55.908 55.472 45.115 1112 1HB LEU 62 2HB LEU 62 55.559 56.196 42.206 1113 2HB LEU 62 1HB LEU 62 56.393 57.205 43.370 1114 HG LEU 62 HG LEU 62 57.239 54.410 42.597 1115 1HD1 LEU 62 1HD1 LEU 62 59.060 55.519 41.407 1116 2HD1 LEU 62 2HD1 LEU 62 58.359 57.090 41.794 1117 3HD1 LEU 62 3HD1 LEU 62 57.489 55.971 40.746 1118 1HD2 LEU 62 1HD2 LEU 62 57.894 55.032 44.867 1119 2HD2 LEU 62 2HD2 LEU 62 58.612 56.523 44.257 1120 3HD2 LEU 62 3HD2 LEU 62 59.293 54.962 43.795 1121 H GLU 63 H GLU 63 54.463 56.290 46.508 1122 HA GLU 63 HA GLU 63 52.225 57.859 45.464 1123 1HB GLU 63 2HB GLU 63 51.318 57.736 47.714 1124 2HB GLU 63 1HB GLU 63 51.718 56.123 47.148 1125 1HG GLU 63 2HG GLU 63 53.765 56.157 48.461 1126 2HG GLU 63 1HG GLU 63 53.397 57.794 49.003 1127 H HIS 64 H HIS 64 51.835 59.970 46.314 1128 HA HIS 64 HA HIS 64 54.277 61.439 46.873 1129 1HB HIS 64 2HB HIS 64 51.416 62.372 46.519 1130 2HB HIS 64 1HB HIS 64 52.790 63.445 46.776 1131 HD1 HIS 64 HD1 HIS 64 50.827 61.981 44.144 1132 HD2 HIS 64 HD2 HIS 64 54.814 63.093 44.594 1133 HE1 HIS 64 HE1 HIS 64 51.757 62.146 41.814 1134 HE2 HIS 64 HE2 HIS 64 54.189 62.735 42.105 1135 H HIS 65 H HIS 65 54.978 61.165 48.902 1136 HA HIS 65 HA HIS 65 53.040 61.629 51.065 1137 1HB HIS 65 2HB HIS 65 54.184 59.941 52.444 1138 2HB HIS 65 1HB HIS 65 53.497 59.235 50.989 1139 HD1 HIS 65 HD1 HIS 65 56.604 59.463 52.894 1140 HD2 HIS 65 HD2 HIS 65 55.535 58.667 48.953 1141 HE1 HIS 65 HE1 HIS 65 58.598 58.337 51.863 1142 HE2 HIS 65 HE2 HIS 65 58.014 58.092 49.430 1143 H HIS 66 H HIS 66 53.645 62.946 52.662 1144 HA HIS 66 HA HIS 66 56.419 63.932 52.695 1145 1HB HIS 66 2HB HIS 66 53.902 65.603 52.828 1146 2HB HIS 66 1HB HIS 66 55.501 66.207 53.231 1147 HD1 HIS 66 HD1 HIS 66 53.764 67.436 50.991 1148 HD2 HIS 66 HD2 HIS 66 56.757 64.605 50.399 1149 HE1 HIS 66 HE1 HIS 66 54.487 67.700 48.597 1150 HE2 HIS 66 HE2 HIS 66 56.462 66.160 48.349 1151 H HIS 67 H HIS 67 57.152 64.692 54.723 1152 HA HIS 67 HA HIS 67 55.340 64.560 56.985 1153 1HB HIS 67 2HB HIS 67 57.711 62.752 56.663 1154 2HB HIS 67 1HB HIS 67 57.233 63.293 58.268 1155 HD1 HIS 67 HD1 HIS 67 54.557 62.760 58.801 1156 HD2 HIS 67 HD2 HIS 67 56.448 60.486 55.878 1157 HE1 HIS 67 HE1 HIS 67 53.152 60.698 58.536 1158 HE2 HIS 67 HE2 HIS 67 54.372 59.280 56.848 1159 H HIS 68 H HIS 68 55.738 66.129 58.404 1160 HA HIS 68 HA HIS 68 58.328 67.511 58.254 1161 1HB HIS 68 2HB HIS 68 57.197 69.690 58.253 1162 2HB HIS 68 1HB HIS 68 56.775 68.753 56.827 1163 HD1 HIS 68 HD1 HIS 68 54.298 68.138 56.503 1164 HD2 HIS 68 HD2 HIS 68 55.076 70.069 60.111 1165 HE1 HIS 68 HE1 HIS 68 52.047 68.716 57.470 1166 HE2 HIS 68 HE2 HIS 68 52.535 69.857 59.663 1167 H HIS 69 H HIS 69 59.097 68.264 60.176 1168 HA HIS 69 HA HIS 69 57.263 68.459 62.430 1169 1HB HIS 69 2HB HIS 69 58.513 67.100 63.920 1170 2HB HIS 69 1HB HIS 69 58.310 66.143 62.461 1171 HD1 HIS 69 HD1 HIS 69 60.803 67.340 64.799 1172 HD2 HIS 69 HD2 HIS 69 60.762 66.095 60.827 1173 HE1 HIS 69 HE1 HIS 69 63.194 66.806 64.228 1174 HE2 HIS 69 HE2 HIS 69 63.149 66.014 61.838 Start of MODEL 8 1 1H MET 1 1H MET 1 -4.640 7.617 -1.894 2 2H MET 1 2H MET 1 -3.398 7.071 -2.895 3 3H MET 1 3H MET 1 -3.761 8.720 -2.840 4 HA MET 1 HA MET 1 -1.775 8.298 -1.589 5 1HB MET 1 2HB MET 1 -4.107 8.717 0.309 6 2HB MET 1 1HB MET 1 -2.439 9.202 0.583 7 1HG MET 1 2HG MET 1 -3.485 11.178 -0.023 8 2HG MET 1 1HG MET 1 -2.717 10.648 -1.519 9 1HE MET 1 1HE MET 1 -4.177 12.141 -3.073 10 2HE MET 1 2HE MET 1 -4.909 12.854 -1.636 11 3HE MET 1 3HE MET 1 -5.932 12.281 -2.954 12 HA PRO 2 HA PRO 2 -1.114 4.446 0.513 13 1HB PRO 2 2HB PRO 2 -0.118 5.260 2.971 14 2HB PRO 2 1HB PRO 2 0.835 5.069 1.498 15 1HG PRO 2 2HG PRO 2 -0.318 7.547 2.699 16 2HG PRO 2 1HG PRO 2 1.246 7.306 1.894 17 1HD PRO 2 2HD PRO 2 -0.807 8.498 0.643 18 2HD PRO 2 1HD PRO 2 0.315 7.433 -0.224 19 H LYS 3 H LYS 3 -3.145 3.670 0.793 20 HA LYS 3 HA LYS 3 -4.213 3.666 3.478 21 1HB LYS 3 2HB LYS 3 -5.294 5.660 2.572 22 2HB LYS 3 1HB LYS 3 -5.800 4.775 1.143 23 1HG LYS 3 2HG LYS 3 -7.187 3.329 2.636 24 2HG LYS 3 1HG LYS 3 -6.780 4.415 3.965 25 1HD LYS 3 2HD LYS 3 -8.905 5.094 3.112 26 2HD LYS 3 1HD LYS 3 -7.721 6.295 2.594 27 1HE LYS 3 2HE LYS 3 -9.128 5.840 0.730 28 2HE LYS 3 1HE LYS 3 -7.575 5.075 0.409 29 1HZ LYS 3 1HZ LYS 3 -9.477 3.654 -0.159 30 2HZ LYS 3 2HZ LYS 3 -9.972 3.663 1.461 31 3HZ LYS 3 3HZ LYS 3 -8.496 2.952 1.031 32 H ILE 4 H ILE 4 -5.729 1.891 3.760 33 HA ILE 4 HA ILE 4 -5.290 -0.307 2.071 34 HB ILE 4 HB ILE 4 -7.433 0.154 4.129 35 1HG1 ILE 4 2HG1 ILE 4 -6.026 -1.650 5.279 36 2HG1 ILE 4 1HG1 ILE 4 -4.780 -1.251 4.119 37 1HG2 ILE 4 1HG2 ILE 4 -8.243 -1.455 2.496 38 2HG2 ILE 4 2HG2 ILE 4 -7.890 -2.247 4.034 39 3HG2 ILE 4 3HG2 ILE 4 -6.764 -2.398 2.683 40 1HD1 ILE 4 1HD1 ILE 4 -4.472 -0.133 6.278 41 2HD1 ILE 4 2HD1 ILE 4 -6.022 0.681 6.063 42 3HD1 ILE 4 3HD1 ILE 4 -4.690 1.012 4.956 43 H ILE 5 H ILE 5 -6.306 -1.058 0.414 44 HA ILE 5 HA ILE 5 -8.882 0.079 -0.406 45 HB ILE 5 HB ILE 5 -6.797 -0.761 -2.399 46 1HG1 ILE 5 2HG1 ILE 5 -7.279 2.068 -1.445 47 2HG1 ILE 5 1HG1 ILE 5 -5.861 1.106 -1.054 48 1HG2 ILE 5 1HG2 ILE 5 -9.094 -0.683 -3.179 49 2HG2 ILE 5 2HG2 ILE 5 -8.127 0.569 -3.959 50 3HG2 ILE 5 3HG2 ILE 5 -9.227 0.994 -2.648 51 1HD1 ILE 5 1HD1 ILE 5 -5.364 2.666 -2.828 52 2HD1 ILE 5 2HD1 ILE 5 -6.691 2.021 -3.794 53 3HD1 ILE 5 3HD1 ILE 5 -5.291 1.011 -3.433 54 H GLU 6 H GLU 6 -10.232 -1.442 -1.431 55 HA GLU 6 HA GLU 6 -9.373 -4.215 -1.127 56 1HB GLU 6 2HB GLU 6 -12.115 -2.999 -1.419 57 2HB GLU 6 1HB GLU 6 -11.821 -4.724 -1.534 58 1HG GLU 6 2HG GLU 6 -12.463 -4.492 0.658 59 2HG GLU 6 1HG GLU 6 -10.707 -4.445 0.782 60 H ALA 7 H ALA 7 -8.866 -5.358 -2.821 61 HA ALA 7 HA ALA 7 -9.804 -4.514 -5.499 62 1HB ALA 7 1HB ALA 7 -7.453 -3.901 -5.213 63 2HB ALA 7 2HB ALA 7 -7.607 -5.222 -6.370 64 3HB ALA 7 3HB ALA 7 -7.061 -5.551 -4.726 65 H VAL 8 H VAL 8 -9.746 -6.355 -7.052 66 HA VAL 8 HA VAL 8 -9.855 -8.974 -5.767 67 HB VAL 8 HB VAL 8 -11.378 -9.572 -7.729 68 1HG1 VAL 8 1HG1 VAL 8 -12.366 -7.729 -5.563 69 2HG1 VAL 8 2HG1 VAL 8 -12.164 -9.477 -5.441 70 3HG1 VAL 8 3HG1 VAL 8 -13.381 -8.802 -6.525 71 1HG2 VAL 8 1HG2 VAL 8 -11.033 -7.572 -9.072 72 2HG2 VAL 8 2HG2 VAL 8 -11.723 -6.580 -7.787 73 3HG2 VAL 8 3HG2 VAL 8 -12.733 -7.746 -8.641 74 H TYR 9 H TYR 9 -8.120 -10.045 -6.301 75 HA TYR 9 HA TYR 9 -6.526 -9.644 -8.647 76 1HB TYR 9 2HB TYR 9 -5.602 -10.608 -6.596 77 2HB TYR 9 1HB TYR 9 -6.741 -11.944 -6.664 78 HD1 TYR 9 HD1 TYR 9 -3.682 -10.521 -8.128 79 HD2 TYR 9 HD2 TYR 9 -6.362 -13.825 -8.119 80 HE1 TYR 9 HE1 TYR 9 -2.036 -11.859 -9.360 81 HE2 TYR 9 HE2 TYR 9 -4.720 -15.169 -9.355 82 HH TYR 9 HH TYR 9 -1.563 -14.464 -9.580 83 H GLU 10 H GLU 10 -6.974 -10.163 -10.567 84 HA GLU 10 HA GLU 10 -8.403 -12.593 -11.291 85 1HB GLU 10 2HB GLU 10 -10.037 -10.653 -11.034 86 2HB GLU 10 1HB GLU 10 -9.200 -9.884 -12.366 87 1HG GLU 10 2HG GLU 10 -9.700 -12.031 -13.667 88 2HG GLU 10 1HG GLU 10 -10.865 -12.363 -12.385 89 H ASN 11 H ASN 11 -7.670 -13.349 -13.275 90 HA ASN 11 HA ASN 11 -6.508 -13.490 -15.229 91 1HB ASN 11 2HB ASN 11 -7.756 -11.208 -15.522 92 2HB ASN 11 1HB ASN 11 -6.155 -10.518 -15.301 93 1HD2 ASN 11 1HD2 ASN 11 -8.197 -12.407 -17.382 94 2HD2 ASN 11 2HD2 ASN 11 -7.146 -12.385 -18.756 95 H GLY 12 H GLY 12 -5.182 -13.123 -12.513 96 1HA GLY 12 2HA GLY 12 -2.968 -13.363 -11.837 97 2HA GLY 12 1HA GLY 12 -2.459 -12.997 -13.479 98 H VAL 13 H VAL 13 -4.720 -10.890 -12.048 99 HA VAL 13 HA VAL 13 -2.634 -8.846 -11.505 100 HB VAL 13 HB VAL 13 -5.380 -8.291 -12.576 101 1HG1 VAL 13 1HG1 VAL 13 -4.337 -6.158 -13.286 102 2HG1 VAL 13 2HG1 VAL 13 -2.843 -6.669 -12.495 103 3HG1 VAL 13 3HG1 VAL 13 -4.309 -6.425 -11.543 104 1HG2 VAL 13 1HG2 VAL 13 -4.288 -9.685 -14.258 105 2HG2 VAL 13 2HG2 VAL 13 -2.864 -8.645 -14.229 106 3HG2 VAL 13 3HG2 VAL 13 -4.399 -8.022 -14.835 107 H PHE 14 H PHE 14 -3.185 -7.406 -9.732 108 HA PHE 14 HA PHE 14 -5.696 -8.052 -8.356 109 1HB PHE 14 2HB PHE 14 -3.455 -6.186 -7.576 110 2HB PHE 14 1HB PHE 14 -4.905 -6.453 -6.632 111 HD1 PHE 14 HD1 PHE 14 -1.687 -7.783 -7.622 112 HD2 PHE 14 HD2 PHE 14 -5.264 -8.563 -5.464 113 HE1 PHE 14 HE1 PHE 14 -0.583 -9.642 -6.461 114 HE2 PHE 14 HE2 PHE 14 -4.162 -10.430 -4.307 115 HZ PHE 14 HZ PHE 14 -1.820 -10.969 -4.802 116 H LYS 15 H LYS 15 -7.457 -6.996 -9.048 117 HA LYS 15 HA LYS 15 -7.123 -4.289 -10.162 118 1HB LYS 15 2HB LYS 15 -9.291 -6.359 -10.519 119 2HB LYS 15 1HB LYS 15 -9.413 -4.716 -11.109 120 1HG LYS 15 2HG LYS 15 -7.397 -5.134 -12.495 121 2HG LYS 15 1HG LYS 15 -7.453 -6.819 -11.969 122 1HD LYS 15 2HD LYS 15 -9.640 -5.351 -13.446 123 2HD LYS 15 1HD LYS 15 -8.541 -6.539 -14.149 124 1HE LYS 15 2HE LYS 15 -9.481 -8.301 -12.906 125 2HE LYS 15 1HE LYS 15 -10.290 -7.194 -11.799 126 1HZ LYS 15 1HZ LYS 15 -11.832 -6.584 -13.471 127 2HZ LYS 15 2HZ LYS 15 -11.774 -8.280 -13.460 128 3HZ LYS 15 3HZ LYS 15 -10.977 -7.405 -14.680 129 HA PRO 16 HA PRO 16 -9.032 -3.110 -6.233 130 1HB PRO 16 2HB PRO 16 -9.301 -0.524 -7.613 131 2HB PRO 16 1HB PRO 16 -8.574 -0.905 -6.052 132 1HG PRO 16 2HG PRO 16 -7.083 -0.296 -8.206 133 2HG PRO 16 1HG PRO 16 -6.549 -1.439 -6.965 134 1HD PRO 16 2HD PRO 16 -7.550 -1.966 -9.711 135 2HD PRO 16 1HD PRO 16 -6.379 -2.876 -8.736 136 H LEU 17 H LEU 17 -10.903 -2.373 -5.546 137 HA LEU 17 HA LEU 17 -13.192 -2.267 -7.322 138 1HB LEU 17 2HB LEU 17 -13.009 -1.987 -4.310 139 2HB LEU 17 1HB LEU 17 -14.494 -2.055 -5.240 140 HG LEU 17 HG LEU 17 -12.493 -4.300 -4.970 141 1HD1 LEU 17 1HD1 LEU 17 -15.246 -3.953 -3.793 142 2HD1 LEU 17 2HD1 LEU 17 -13.720 -3.907 -2.909 143 3HD1 LEU 17 3HD1 LEU 17 -14.250 -5.405 -3.674 144 1HD2 LEU 17 1HD2 LEU 17 -13.621 -4.319 -7.138 145 2HD2 LEU 17 2HD2 LEU 17 -15.185 -4.230 -6.329 146 3HD2 LEU 17 3HD2 LEU 17 -14.167 -5.655 -6.122 147 H GLN 18 H GLN 18 -11.847 -0.486 -4.679 148 HA GLN 18 HA GLN 18 -13.163 1.993 -5.220 149 1HB GLN 18 2HB GLN 18 -10.546 1.633 -3.747 150 2HB GLN 18 1HB GLN 18 -11.679 2.962 -3.587 151 1HG GLN 18 2HG GLN 18 -13.276 1.560 -2.500 152 2HG GLN 18 1HG GLN 18 -12.298 0.126 -2.814 153 1HE2 GLN 18 1HE2 GLN 18 -12.079 -0.405 -0.637 154 2HE2 GLN 18 2HE2 GLN 18 -11.120 0.527 0.455 155 H LYS 19 H LYS 19 -12.412 3.828 -6.327 156 HA LYS 19 HA LYS 19 -10.495 3.435 -8.385 157 1HB LYS 19 2HB LYS 19 -11.817 5.928 -7.309 158 2HB LYS 19 1HB LYS 19 -10.722 5.935 -8.683 159 1HG LYS 19 2HG LYS 19 -13.310 4.408 -8.523 160 2HG LYS 19 1HG LYS 19 -13.061 5.938 -9.365 161 1HD LYS 19 2HD LYS 19 -11.420 4.879 -10.826 162 2HD LYS 19 1HD LYS 19 -11.651 3.346 -9.982 163 1HE LYS 19 2HE LYS 19 -13.851 4.845 -11.383 164 2HE LYS 19 1HE LYS 19 -12.903 3.570 -12.142 165 1HZ LYS 19 1HZ LYS 19 -14.236 3.000 -9.584 166 2HZ LYS 19 2HZ LYS 19 -13.891 1.958 -10.880 167 3HZ LYS 19 3HZ LYS 19 -15.172 3.058 -10.994 168 H VAL 20 H VAL 20 -8.429 4.426 -8.622 169 HA VAL 20 HA VAL 20 -7.204 5.152 -6.045 170 HB VAL 20 HB VAL 20 -6.618 2.840 -6.962 171 1HG1 VAL 20 1HG1 VAL 20 -6.221 3.396 -9.261 172 2HG1 VAL 20 2HG1 VAL 20 -4.749 2.750 -8.535 173 3HG1 VAL 20 3HG1 VAL 20 -4.917 4.487 -8.789 174 1HG2 VAL 20 1HG2 VAL 20 -5.473 3.716 -5.104 175 2HG2 VAL 20 2HG2 VAL 20 -4.534 4.795 -6.126 176 3HG2 VAL 20 3HG2 VAL 20 -4.268 3.055 -6.210 177 H ASP 21 H ASP 21 -5.393 6.383 -6.122 178 HA ASP 21 HA ASP 21 -5.211 8.208 -8.411 179 1HB ASP 21 2HB ASP 21 -4.746 9.908 -6.721 180 2HB ASP 21 1HB ASP 21 -6.301 9.164 -6.446 181 H LEU 22 H LEU 22 -3.743 5.759 -7.332 182 HA LEU 22 HA LEU 22 -1.171 6.867 -6.582 183 1HB LEU 22 2HB LEU 22 -2.251 4.064 -6.622 184 2HB LEU 22 1HB LEU 22 -0.615 4.468 -6.149 185 HG LEU 22 HG LEU 22 -3.077 5.562 -4.795 186 1HD1 LEU 22 1HD1 LEU 22 -2.915 3.150 -4.469 187 2HD1 LEU 22 2HD1 LEU 22 -2.574 4.026 -2.977 188 3HD1 LEU 22 3HD1 LEU 22 -1.250 3.333 -3.916 189 1HD2 LEU 22 1HD2 LEU 22 -1.515 6.267 -3.066 190 2HD2 LEU 22 2HD2 LEU 22 -1.097 6.985 -4.622 191 3HD2 LEU 22 3HD2 LEU 22 -0.169 5.619 -4.003 192 H LYS 23 H LYS 23 0.634 5.004 -7.438 193 HA LYS 23 HA LYS 23 0.924 6.037 -10.149 194 1HB LYS 23 2HB LYS 23 2.965 4.646 -8.424 195 2HB LYS 23 1HB LYS 23 3.262 5.657 -9.827 196 1HG LYS 23 2HG LYS 23 2.611 7.621 -8.652 197 2HG LYS 23 1HG LYS 23 2.021 6.669 -7.288 198 1HD LYS 23 2HD LYS 23 4.388 5.815 -7.024 199 2HD LYS 23 1HD LYS 23 4.870 7.057 -8.181 200 1HE LYS 23 2HE LYS 23 5.187 7.815 -5.884 201 2HE LYS 23 1HE LYS 23 3.975 8.785 -6.719 202 1HZ LYS 23 1HZ LYS 23 3.310 6.511 -4.919 203 2HZ LYS 23 2HZ LYS 23 2.242 7.645 -5.583 204 3HZ LYS 23 3HZ LYS 23 3.365 8.131 -4.415 205 H GLU 24 H GLU 24 2.500 4.448 -11.472 206 HA GLU 24 HA GLU 24 1.402 1.751 -11.369 207 1HB GLU 24 2HB GLU 24 3.266 1.627 -13.326 208 2HB GLU 24 1HB GLU 24 1.596 2.072 -13.610 209 1HG GLU 24 2HG GLU 24 2.893 3.631 -14.768 210 2HG GLU 24 1HG GLU 24 2.328 4.462 -13.322 211 H GLY 25 H GLY 25 3.839 0.401 -12.190 212 1HA GLY 25 2HA GLY 25 3.993 -1.084 -10.139 213 2HA GLY 25 1HA GLY 25 5.512 -0.707 -10.919 214 H GLU 26 H GLU 26 3.289 0.547 -8.613 215 HA GLU 26 HA GLU 26 5.375 1.470 -6.820 216 1HB GLU 26 2HB GLU 26 3.160 2.695 -7.496 217 2HB GLU 26 1HB GLU 26 2.400 1.609 -6.340 218 1HG GLU 26 2HG GLU 26 3.766 2.455 -4.582 219 2HG GLU 26 1HG GLU 26 4.671 3.457 -5.707 220 H ARG 27 H ARG 27 5.642 0.550 -4.728 221 HA ARG 27 HA ARG 27 5.017 -2.300 -4.841 222 1HB ARG 27 2HB ARG 27 7.347 -1.403 -4.689 223 2HB ARG 27 1HB ARG 27 6.992 -0.906 -3.048 224 1HG ARG 27 2HG ARG 27 6.751 -3.164 -2.346 225 2HG ARG 27 1HG ARG 27 6.796 -3.747 -4.014 226 1HD ARG 27 2HD ARG 27 9.089 -2.778 -4.206 227 2HD ARG 27 1HD ARG 27 9.033 -2.441 -2.477 228 HE ARG 27 HE ARG 27 8.517 -5.084 -2.571 229 1HH1 ARG 27 1HH1 ARG 27 11.026 -3.081 -3.974 230 2HH1 ARG 27 2HH1 ARG 27 12.204 -4.359 -4.027 231 1HH2 ARG 27 1HH2 ARG 27 10.083 -6.765 -2.573 232 2HH2 ARG 27 2HH2 ARG 27 11.672 -6.453 -3.227 233 H VAL 28 H VAL 28 3.827 -3.334 -3.484 234 HA VAL 28 HA VAL 28 2.951 -2.131 -0.971 235 HB VAL 28 HB VAL 28 0.560 -2.601 -1.531 236 1HG1 VAL 28 1HG1 VAL 28 1.951 -0.538 -3.232 237 2HG1 VAL 28 2HG1 VAL 28 1.406 -0.334 -1.567 238 3HG1 VAL 28 3HG1 VAL 28 0.227 -0.568 -2.857 239 1HG2 VAL 28 1HG2 VAL 28 -0.072 -2.785 -3.882 240 2HG2 VAL 28 2HG2 VAL 28 0.937 -4.139 -3.379 241 3HG2 VAL 28 3HG2 VAL 28 1.631 -2.834 -4.340 242 H LYS 29 H LYS 29 1.362 -3.655 0.170 243 HA LYS 29 HA LYS 29 1.994 -6.476 -0.351 244 1HB LYS 29 2HB LYS 29 1.898 -5.068 2.315 245 2HB LYS 29 1HB LYS 29 2.010 -6.798 2.105 246 1HG LYS 29 2HG LYS 29 4.183 -6.469 0.944 247 2HG LYS 29 1HG LYS 29 4.056 -4.748 1.309 248 1HD LYS 29 2HD LYS 29 3.779 -5.474 3.735 249 2HD LYS 29 1HD LYS 29 4.376 -7.046 3.208 250 1HE LYS 29 2HE LYS 29 5.847 -4.466 2.712 251 2HE LYS 29 1HE LYS 29 6.116 -5.467 4.134 252 1HZ LYS 29 1HZ LYS 29 6.873 -7.248 2.752 253 2HZ LYS 29 2HZ LYS 29 7.732 -5.851 2.336 254 3HZ LYS 29 3HZ LYS 29 6.480 -6.406 1.332 255 H ILE 30 H ILE 30 0.306 -7.853 -0.020 256 HA ILE 30 HA ILE 30 -2.315 -6.524 0.305 257 HB ILE 30 HB ILE 30 -2.322 -8.979 -1.278 258 1HG1 ILE 30 2HG1 ILE 30 -0.185 -7.869 -2.066 259 2HG1 ILE 30 1HG1 ILE 30 -1.405 -8.118 -3.306 260 1HG2 ILE 30 1HG2 ILE 30 -3.481 -6.229 -1.663 261 2HG2 ILE 30 2HG2 ILE 30 -4.288 -7.635 -0.965 262 3HG2 ILE 30 3HG2 ILE 30 -3.837 -7.631 -2.670 263 1HD1 ILE 30 1HD1 ILE 30 -0.333 -5.954 -3.528 264 2HD1 ILE 30 2HD1 ILE 30 -0.846 -5.521 -1.896 265 3HD1 ILE 30 3HD1 ILE 30 -2.048 -5.782 -3.160 266 H LYS 31 H LYS 31 -3.731 -7.445 1.644 267 HA LYS 31 HA LYS 31 -3.029 -10.043 2.819 268 1HB LYS 31 2HB LYS 31 -4.519 -7.685 3.930 269 2HB LYS 31 1HB LYS 31 -4.590 -9.271 4.674 270 1HG LYS 31 2HG LYS 31 -2.195 -9.235 5.018 271 2HG LYS 31 1HG LYS 31 -2.099 -7.674 4.211 272 1HD LYS 31 2HD LYS 31 -3.683 -6.810 5.978 273 2HD LYS 31 1HD LYS 31 -3.423 -8.332 6.830 274 1HE LYS 31 2HE LYS 31 -1.927 -6.698 7.741 275 2HE LYS 31 1HE LYS 31 -0.982 -7.855 6.805 276 1HZ LYS 31 1HZ LYS 31 -1.608 -5.050 6.215 277 2HZ LYS 31 2HZ LYS 31 -1.351 -6.115 4.921 278 3HZ LYS 31 3HZ LYS 31 -0.133 -5.876 6.079 279 H LEU 32 H LEU 32 -4.652 -11.524 3.149 280 HA LEU 32 HA LEU 32 -6.859 -11.255 1.246 281 1HB LEU 32 2HB LEU 32 -5.373 -13.587 2.387 282 2HB LEU 32 1HB LEU 32 -6.961 -13.804 1.686 283 HG LEU 32 HG LEU 32 -5.059 -14.328 0.164 284 1HD1 LEU 32 1HD1 LEU 32 -6.026 -13.203 -1.782 285 2HD1 LEU 32 2HD1 LEU 32 -6.920 -12.129 -0.706 286 3HD1 LEU 32 3HD1 LEU 32 -7.266 -13.858 -0.713 287 1HD2 LEU 32 1HD2 LEU 32 -3.512 -12.574 0.810 288 2HD2 LEU 32 2HD2 LEU 32 -4.628 -11.347 0.211 289 3HD2 LEU 32 3HD2 LEU 32 -3.875 -12.476 -0.915 290 H GLU 33 H GLU 33 -8.981 -11.675 1.832 291 HA GLU 33 HA GLU 33 -9.539 -11.618 4.681 292 1HB GLU 33 2HB GLU 33 -10.760 -10.178 3.060 293 2HB GLU 33 1HB GLU 33 -11.469 -11.622 2.359 294 1HG GLU 33 2HG GLU 33 -12.900 -10.370 3.961 295 2HG GLU 33 1HG GLU 33 -12.683 -12.079 4.334 296 H LEU 34 H LEU 34 -11.086 -13.173 5.613 297 HA LEU 34 HA LEU 34 -10.649 -15.828 4.408 298 1HB LEU 34 2HB LEU 34 -10.094 -14.900 7.201 299 2HB LEU 34 1HB LEU 34 -10.423 -16.586 6.873 300 HG LEU 34 HG LEU 34 -8.178 -14.993 5.646 301 1HD1 LEU 34 1HD1 LEU 34 -8.121 -17.089 7.811 302 2HD1 LEU 34 2HD1 LEU 34 -7.820 -15.364 8.025 303 3HD1 LEU 34 3HD1 LEU 34 -6.712 -16.340 7.059 304 1HD2 LEU 34 1HD2 LEU 34 -8.807 -17.940 5.507 305 2HD2 LEU 34 2HD2 LEU 34 -7.404 -17.137 4.798 306 3HD2 LEU 34 3HD2 LEU 34 -9.022 -16.776 4.199 307 H LYS 35 H LYS 35 -11.766 -17.455 6.086 308 HA LYS 35 HA LYS 35 -14.576 -16.641 6.430 309 1HB LYS 35 2HB LYS 35 -13.980 -18.112 4.356 310 2HB LYS 35 1HB LYS 35 -13.760 -19.397 5.530 311 1HG LYS 35 2HG LYS 35 -16.132 -18.964 6.282 312 2HG LYS 35 1HG LYS 35 -16.288 -17.904 4.882 313 1HD LYS 35 2HD LYS 35 -15.810 -19.722 3.380 314 2HD LYS 35 1HD LYS 35 -15.453 -20.798 4.730 315 1HE LYS 35 2HE LYS 35 -17.783 -20.610 5.479 316 2HE LYS 35 1HE LYS 35 -18.128 -19.549 4.115 317 1HZ LYS 35 1HZ LYS 35 -17.158 -22.347 3.849 318 2HZ LYS 35 2HZ LYS 35 -17.686 -21.324 2.604 319 3HZ LYS 35 3HZ LYS 35 -18.788 -21.887 3.755 320 H VAL 36 H VAL 36 -14.820 -19.643 7.196 321 HA VAL 36 HA VAL 36 -13.826 -19.342 9.937 322 HB VAL 36 HB VAL 36 -15.825 -21.348 8.872 323 1HG1 VAL 36 1HG1 VAL 36 -15.089 -20.579 11.700 324 2HG1 VAL 36 2HG1 VAL 36 -14.717 -22.103 10.895 325 3HG1 VAL 36 3HG1 VAL 36 -16.391 -21.680 11.250 326 1HG2 VAL 36 1HG2 VAL 36 -17.542 -19.976 9.941 327 2HG2 VAL 36 2HG2 VAL 36 -16.722 -19.113 8.641 328 3HG2 VAL 36 3HG2 VAL 36 -16.330 -18.757 10.326 329 H GLU 37 H GLU 37 -12.596 -21.036 10.884 330 HA GLU 37 HA GLU 37 -10.751 -22.274 9.184 331 1HB GLU 37 2HB GLU 37 -9.981 -23.379 11.267 332 2HB GLU 37 1HB GLU 37 -10.132 -21.642 11.413 333 1HG GLU 37 2HG GLU 37 -12.369 -22.027 12.478 334 2HG GLU 37 1HG GLU 37 -11.971 -23.746 12.512 335 HA PRO 38 HA PRO 38 -12.728 -25.886 7.821 336 1HB PRO 38 2HB PRO 38 -10.212 -27.380 8.155 337 2HB PRO 38 1HB PRO 38 -11.114 -27.008 6.684 338 1HG PRO 38 2HG PRO 38 -8.790 -25.801 7.246 339 2HG PRO 38 1HG PRO 38 -10.114 -24.935 6.443 340 1HD PRO 38 2HD PRO 38 -9.260 -24.855 9.314 341 2HD PRO 38 1HD PRO 38 -9.768 -23.530 8.251 342 H ILE 39 H ILE 39 -12.357 -28.482 8.222 343 HA ILE 39 HA ILE 39 -13.386 -28.802 10.942 344 HB ILE 39 HB ILE 39 -13.516 -30.819 8.697 345 1HG1 ILE 39 2HG1 ILE 39 -15.582 -28.737 9.452 346 2HG1 ILE 39 1HG1 ILE 39 -14.576 -28.690 8.009 347 1HG2 ILE 39 1HG2 ILE 39 -13.916 -31.703 10.945 348 2HG2 ILE 39 2HG2 ILE 39 -15.382 -31.746 9.966 349 3HG2 ILE 39 3HG2 ILE 39 -15.178 -30.497 11.195 350 1HD1 ILE 39 1HD1 ILE 39 -15.624 -30.740 7.204 351 2HD1 ILE 39 2HD1 ILE 39 -16.821 -29.480 7.506 352 3HD1 ILE 39 3HD1 ILE 39 -16.623 -30.801 8.656 353 H ASP 40 H ASP 40 -12.723 -30.613 12.223 354 HA ASP 40 HA ASP 40 -9.931 -31.393 11.743 355 1HB ASP 40 2HB ASP 40 -10.713 -30.160 13.888 356 2HB ASP 40 1HB ASP 40 -11.421 -31.700 14.355 357 H LEU 41 H LEU 41 -10.120 -33.591 13.682 358 HA LEU 41 HA LEU 41 -10.934 -35.686 11.936 359 1HB LEU 41 2HB LEU 41 -9.117 -35.924 13.578 360 2HB LEU 41 1HB LEU 41 -10.270 -35.744 14.885 361 HG LEU 41 HG LEU 41 -11.384 -37.845 14.133 362 1HD1 LEU 41 1HD1 LEU 41 -9.012 -38.048 12.286 363 2HD1 LEU 41 2HD1 LEU 41 -10.690 -37.803 11.802 364 3HD1 LEU 41 3HD1 LEU 41 -10.211 -39.311 12.579 365 1HD2 LEU 41 1HD2 LEU 41 -9.751 -37.857 15.942 366 2HD2 LEU 41 2HD2 LEU 41 -8.449 -38.088 14.776 367 3HD2 LEU 41 3HD2 LEU 41 -9.669 -39.343 14.997 368 H GLY 42 H GLY 42 -12.665 -37.122 12.150 369 1HA GLY 42 2HA GLY 42 -15.079 -35.921 13.171 370 2HA GLY 42 1HA GLY 42 -14.956 -37.422 12.276 371 H GLU 43 H GLU 43 -15.358 -39.176 13.329 372 HA GLU 43 HA GLU 43 -16.043 -39.200 16.051 373 1HB GLU 43 2HB GLU 43 -16.135 -41.694 15.738 374 2HB GLU 43 1HB GLU 43 -17.117 -40.762 14.626 375 1HG GLU 43 2HG GLU 43 -14.371 -41.676 13.853 376 2HG GLU 43 1HG GLU 43 -15.755 -42.759 13.732 377 HA PRO 44 HA PRO 44 -12.155 -39.702 18.030 378 1HB PRO 44 2HB PRO 44 -13.533 -41.150 20.173 379 2HB PRO 44 1HB PRO 44 -12.735 -39.576 20.216 380 1HG PRO 44 2HG PRO 44 -15.415 -39.833 20.370 381 2HG PRO 44 1HG PRO 44 -14.637 -38.444 19.587 382 1HD PRO 44 2HD PRO 44 -15.877 -40.874 18.348 383 2HD PRO 44 1HD PRO 44 -15.973 -39.174 17.838 384 H VAL 45 H VAL 45 -10.619 -41.270 18.704 385 HA VAL 45 HA VAL 45 -10.789 -43.732 17.272 386 HB VAL 45 HB VAL 45 -8.771 -43.179 19.423 387 1HG1 VAL 45 1HG1 VAL 45 -8.739 -45.401 18.467 388 2HG1 VAL 45 2HG1 VAL 45 -7.300 -44.508 17.971 389 3HG1 VAL 45 3HG1 VAL 45 -8.639 -44.723 16.843 390 1HG2 VAL 45 1HG2 VAL 45 -8.850 -41.169 18.055 391 2HG2 VAL 45 2HG2 VAL 45 -8.710 -42.142 16.591 392 3HG2 VAL 45 3HG2 VAL 45 -7.368 -42.069 17.732 393 H SER 46 H SER 46 -10.810 -45.834 18.139 394 HA SER 46 HA SER 46 -12.132 -46.024 20.749 395 1HB SER 46 2HB SER 46 -12.539 -47.714 18.271 396 2HB SER 46 1HB SER 46 -13.408 -47.875 19.790 397 HG SER 46 HG SER 46 -13.452 -45.336 18.772 398 H VAL 47 H VAL 47 -12.141 -48.675 21.148 399 HA VAL 47 HA VAL 47 -9.437 -49.271 21.837 400 HB VAL 47 HB VAL 47 -11.818 -51.139 21.896 401 1HG1 VAL 47 1HG1 VAL 47 -9.212 -51.179 23.418 402 2HG1 VAL 47 2HG1 VAL 47 -9.696 -52.295 22.143 403 3HG1 VAL 47 3HG1 VAL 47 -10.565 -52.285 23.676 404 1HG2 VAL 47 1HG2 VAL 47 -10.816 -49.276 24.049 405 2HG2 VAL 47 2HG2 VAL 47 -12.117 -50.454 24.224 406 3HG2 VAL 47 3HG2 VAL 47 -12.307 -49.085 23.128 407 H GLU 48 H GLU 48 -8.114 -50.952 21.013 408 HA GLU 48 HA GLU 48 -8.400 -51.296 18.180 409 1HB GLU 48 2HB GLU 48 -6.293 -52.146 20.153 410 2HB GLU 48 1HB GLU 48 -6.226 -52.590 18.453 411 1HG GLU 48 2HG GLU 48 -6.328 -49.767 19.494 412 2HG GLU 48 1HG GLU 48 -4.863 -50.612 18.991 413 H GLU 49 H GLU 49 -7.754 -53.507 17.290 414 HA GLU 49 HA GLU 49 -10.070 -55.077 17.730 415 1HB GLU 49 2HB GLU 49 -7.711 -55.894 16.057 416 2HB GLU 49 1HB GLU 49 -9.405 -56.301 15.821 417 1HG GLU 49 2HG GLU 49 -8.133 -53.603 15.432 418 2HG GLU 49 1HG GLU 49 -8.686 -54.698 14.168 419 H ILE 50 H ILE 50 -6.868 -55.244 18.924 420 HA ILE 50 HA ILE 50 -6.616 -58.056 19.116 421 HB ILE 50 HB ILE 50 -4.700 -56.473 19.028 422 1HG1 ILE 50 2HG1 ILE 50 -4.716 -58.343 21.415 423 2HG1 ILE 50 1HG1 ILE 50 -4.393 -58.816 19.752 424 1HG2 ILE 50 1HG2 ILE 50 -5.491 -55.915 21.882 425 2HG2 ILE 50 2HG2 ILE 50 -5.483 -54.767 20.540 426 3HG2 ILE 50 3HG2 ILE 50 -3.965 -55.432 21.151 427 1HD1 ILE 50 1HD1 ILE 50 -2.394 -57.423 19.749 428 2HD1 ILE 50 2HD1 ILE 50 -2.346 -58.625 21.036 429 3HD1 ILE 50 3HD1 ILE 50 -2.723 -56.945 21.415 430 H LYS 51 H LYS 51 -8.428 -55.927 20.996 431 HA LYS 51 HA LYS 51 -8.064 -57.368 23.483 432 1HB LYS 51 2HB LYS 51 -8.478 -54.966 23.584 433 2HB LYS 51 1HB LYS 51 -10.027 -55.182 22.776 434 1HG LYS 51 2HG LYS 51 -10.922 -56.356 24.642 435 2HG LYS 51 1HG LYS 51 -9.342 -56.441 25.421 436 1HD LYS 51 2HD LYS 51 -9.330 -54.000 25.643 437 2HD LYS 51 1HD LYS 51 -10.919 -53.928 24.877 438 1HE LYS 51 2HE LYS 51 -10.990 -53.804 27.364 439 2HE LYS 51 1HE LYS 51 -11.920 -55.136 26.679 440 1HZ LYS 51 1HZ LYS 51 -9.142 -55.529 27.629 441 2HZ LYS 51 2HZ LYS 51 -10.356 -56.692 27.387 442 3HZ LYS 51 3HZ LYS 51 -10.458 -55.622 28.692 443 H LYS 52 H LYS 52 -9.282 -58.994 24.237 444 HA LYS 52 HA LYS 52 -11.887 -59.519 23.094 445 1HB LYS 52 2HB LYS 52 -11.242 -61.882 22.781 446 2HB LYS 52 1HB LYS 52 -10.436 -60.801 21.668 447 1HG LYS 52 2HG LYS 52 -8.434 -60.893 23.084 448 2HG LYS 52 1HG LYS 52 -9.269 -62.004 24.171 449 1HD LYS 52 2HD LYS 52 -8.649 -62.507 21.261 450 2HD LYS 52 1HD LYS 52 -7.792 -63.198 22.637 451 1HE LYS 52 2HE LYS 52 -10.711 -63.617 22.002 452 2HE LYS 52 1HE LYS 52 -9.418 -64.768 21.667 453 1HZ LYS 52 1HZ LYS 52 -8.972 -64.719 24.134 454 2HZ LYS 52 2HZ LYS 52 -10.422 -65.463 23.652 455 3HZ LYS 52 3HZ LYS 52 -10.450 -63.900 24.306 456 H ILE 53 H ILE 53 -13.161 -60.925 24.387 457 HA ILE 53 HA ILE 53 -12.476 -61.044 27.182 458 HB ILE 53 HB ILE 53 -14.806 -62.353 25.750 459 1HG1 ILE 53 2HG1 ILE 53 -14.698 -59.631 27.069 460 2HG1 ILE 53 1HG1 ILE 53 -14.719 -59.912 25.331 461 1HG2 ILE 53 1HG2 ILE 53 -14.471 -63.244 27.972 462 2HG2 ILE 53 2HG2 ILE 53 -15.906 -62.222 27.950 463 3HG2 ILE 53 3HG2 ILE 53 -14.405 -61.616 28.650 464 1HD1 ILE 53 1HD1 ILE 53 -16.929 -60.910 25.518 465 2HD1 ILE 53 2HD1 ILE 53 -16.900 -59.270 26.166 466 3HD1 ILE 53 3HD1 ILE 53 -16.903 -60.651 27.263 467 H ARG 54 H ARG 54 -12.259 -63.086 28.381 468 HA ARG 54 HA ARG 54 -10.721 -65.021 26.929 469 1HB ARG 54 2HB ARG 54 -11.579 -64.714 29.770 470 2HB ARG 54 1HB ARG 54 -11.089 -66.315 29.223 471 1HG ARG 54 2HG ARG 54 -9.195 -65.219 30.188 472 2HG ARG 54 1HG ARG 54 -8.949 -65.335 28.447 473 1HD ARG 54 2HD ARG 54 -9.877 -62.972 28.319 474 2HD ARG 54 1HD ARG 54 -9.688 -62.915 30.070 475 HE ARG 54 HE ARG 54 -7.382 -63.549 28.348 476 1HH1 ARG 54 1HH1 ARG 54 -8.907 -61.474 30.739 477 2HH1 ARG 54 2HH1 ARG 54 -7.465 -60.533 31.003 478 1HH2 ARG 54 1HH2 ARG 54 -5.521 -62.305 28.688 479 2HH2 ARG 54 2HH2 ARG 54 -5.554 -60.987 29.819 480 H ASP 55 H ASP 55 -11.548 -66.480 25.638 481 HA ASP 55 HA ASP 55 -14.388 -67.149 25.919 482 1HB ASP 55 2HB ASP 55 -14.294 -67.804 23.562 483 2HB ASP 55 1HB ASP 55 -13.706 -66.162 23.777 484 H GLY 56 H GLY 56 -15.093 -69.305 25.427 485 1HA GLY 56 2HA GLY 56 -13.342 -71.523 25.327 486 2HA GLY 56 1HA GLY 56 -13.916 -71.278 26.971 487 H THR 57 H THR 57 -14.530 -72.753 24.065 488 HA THR 57 HA THR 57 -17.232 -73.455 24.971 489 HB THR 57 HB THR 57 -17.426 -71.770 23.138 490 HG1 THR 57 HG1 THR 57 -19.197 -72.946 23.018 491 1HG2 THR 57 1HG2 THR 57 -16.868 -72.458 20.838 492 2HG2 THR 57 2HG2 THR 57 -16.093 -73.908 21.478 493 3HG2 THR 57 3HG2 THR 57 -15.437 -72.317 21.858 494 H TRP 58 H TRP 58 -17.962 -75.449 23.472 495 HA TRP 58 HA TRP 58 -15.626 -77.242 23.444 496 1HB TRP 58 2HB TRP 58 -17.797 -77.448 25.125 497 2HB TRP 58 1HB TRP 58 -18.220 -78.554 23.822 498 HD1 TRP 58 HD1 TRP 58 -16.785 -80.771 23.581 499 HE1 TRP 58 HE1 TRP 58 -15.061 -81.919 25.112 500 HE3 TRP 58 HE3 TRP 58 -15.945 -76.946 26.859 501 HZ2 TRP 58 HZ2 TRP 58 -13.562 -81.285 27.418 502 HZ3 TRP 58 HZ3 TRP 58 -14.358 -77.298 28.703 503 HH2 TRP 58 HH2 TRP 58 -13.195 -79.424 28.972 504 H MET 59 H MET 59 -15.550 -78.847 21.888 505 HA MET 59 HA MET 59 -17.273 -78.371 19.551 506 1HB MET 59 2HB MET 59 -14.984 -77.704 19.103 507 2HB MET 59 1HB MET 59 -14.380 -79.254 19.677 508 1HG MET 59 2HG MET 59 -15.589 -80.351 17.816 509 2HG MET 59 1HG MET 59 -16.046 -78.757 17.218 510 1HE MET 59 1HE MET 59 -13.462 -77.015 17.740 511 2HE MET 59 2HE MET 59 -14.367 -77.004 16.228 512 3HE MET 59 3HE MET 59 -12.615 -77.211 16.204 513 H SER 60 H SER 60 -18.451 -80.010 18.863 514 HA SER 60 HA SER 60 -19.359 -82.032 18.551 515 1HB SER 60 2HB SER 60 -16.666 -83.213 19.168 516 2HB SER 60 1HB SER 60 -17.928 -83.837 18.120 517 HG SER 60 HG SER 60 -17.193 -82.674 16.537 518 H SER 61 H SER 61 -20.791 -82.609 20.006 519 HA SER 61 HA SER 61 -20.032 -83.110 22.775 520 1HB SER 61 2HB SER 61 -22.811 -83.374 21.638 521 2HB SER 61 1HB SER 61 -22.331 -82.928 23.272 522 HG SER 61 HG SER 61 -22.720 -81.367 21.075 523 H LEU 62 H LEU 62 -19.403 -84.926 20.436 524 HA LEU 62 HA LEU 62 -19.372 -87.087 19.819 525 1HB LEU 62 2HB LEU 62 -20.177 -87.542 22.690 526 2HB LEU 62 1HB LEU 62 -19.523 -88.740 21.599 527 HG LEU 62 HG LEU 62 -18.050 -86.297 22.570 528 1HD1 LEU 62 1HD1 LEU 62 -17.704 -89.199 23.298 529 2HD1 LEU 62 2HD1 LEU 62 -18.402 -87.951 24.330 530 3HD1 LEU 62 3HD1 LEU 62 -16.706 -87.857 23.855 531 1HD2 LEU 62 1HD2 LEU 62 -17.114 -88.622 20.892 532 2HD2 LEU 62 2HD2 LEU 62 -16.096 -87.325 21.520 533 3HD2 LEU 62 3HD2 LEU 62 -17.353 -86.965 20.335 534 H GLU 63 H GLU 63 -21.797 -85.587 19.470 535 HA GLU 63 HA GLU 63 -24.045 -87.222 20.138 536 1HB GLU 63 2HB GLU 63 -23.784 -84.870 18.255 537 2HB GLU 63 1HB GLU 63 -25.306 -85.608 18.739 538 1HG GLU 63 2HG GLU 63 -25.019 -84.914 20.989 539 2HG GLU 63 1HG GLU 63 -23.358 -84.405 20.684 540 H HIS 64 H HIS 64 -24.184 -89.164 19.196 541 HA HIS 64 HA HIS 64 -24.012 -89.233 16.262 542 1HB HIS 64 2HB HIS 64 -23.879 -91.763 16.550 543 2HB HIS 64 1HB HIS 64 -22.460 -90.838 17.012 544 HD1 HIS 64 HD1 HIS 64 -25.269 -92.872 18.481 545 HD2 HIS 64 HD2 HIS 64 -21.717 -91.067 19.662 546 HE1 HIS 64 HE1 HIS 64 -24.778 -93.782 20.767 547 HE2 HIS 64 HE2 HIS 64 -22.492 -92.881 21.337 548 H HIS 65 H HIS 65 -26.011 -88.583 15.727 549 HA HIS 65 HA HIS 65 -28.316 -89.888 16.974 550 1HB HIS 65 2HB HIS 65 -28.095 -87.331 16.601 551 2HB HIS 65 1HB HIS 65 -28.458 -87.692 14.917 552 HD1 HIS 65 HD1 HIS 65 -30.387 -85.936 16.428 553 HD2 HIS 65 HD2 HIS 65 -30.731 -90.081 16.308 554 HE1 HIS 65 HE1 HIS 65 -32.795 -86.436 16.964 555 HE2 HIS 65 HE2 HIS 65 -32.917 -88.947 17.108 556 H HIS 66 H HIS 66 -28.804 -91.764 16.067 557 HA HIS 66 HA HIS 66 -28.041 -92.280 13.317 558 1HB HIS 66 2HB HIS 66 -27.636 -93.896 15.220 559 2HB HIS 66 1HB HIS 66 -29.373 -94.178 15.254 560 HD1 HIS 66 HD1 HIS 66 -30.266 -95.919 13.687 561 HD2 HIS 66 HD2 HIS 66 -26.419 -94.685 12.680 562 HE1 HIS 66 HE1 HIS 66 -29.512 -97.459 11.847 563 HE2 HIS 66 HE2 HIS 66 -27.207 -96.661 11.206 564 H HIS 67 H HIS 67 -29.363 -92.429 11.633 565 HA HIS 67 HA HIS 67 -32.246 -92.108 12.095 566 1HB HIS 67 2HB HIS 67 -30.505 -91.724 9.659 567 2HB HIS 67 1HB HIS 67 -32.262 -91.782 9.550 568 HD1 HIS 67 HD1 HIS 67 -32.467 -89.330 8.801 569 HD2 HIS 67 HD2 HIS 67 -30.547 -89.816 12.459 570 HE1 HIS 67 HE1 HIS 67 -32.336 -87.033 9.810 571 HE2 HIS 67 HE2 HIS 67 -31.414 -87.402 12.124 572 H HIS 68 H HIS 68 -33.687 -93.684 11.581 573 HA HIS 68 HA HIS 68 -32.487 -96.292 11.087 574 1HB HIS 68 2HB HIS 68 -34.040 -96.076 12.969 575 2HB HIS 68 1HB HIS 68 -35.318 -95.574 11.865 576 HD1 HIS 68 HD1 HIS 68 -32.907 -98.501 11.552 577 HD2 HIS 68 HD2 HIS 68 -36.987 -97.721 11.800 578 HE1 HIS 68 HE1 HIS 68 -34.041-100.722 11.234 579 HE2 HIS 68 HE2 HIS 68 -36.501-100.252 11.532 580 H HIS 69 H HIS 69 -32.197 -96.798 9.058 581 HA HIS 69 HA HIS 69 -34.420 -97.207 7.340 582 1HB HIS 69 2HB HIS 69 -34.030 -94.767 6.953 583 2HB HIS 69 1HB HIS 69 -32.396 -95.151 6.415 584 HD1 HIS 69 HD1 HIS 69 -32.112 -96.045 4.043 585 HD2 HIS 69 HD2 HIS 69 -36.092 -95.602 5.179 586 HE1 HIS 69 HE1 HIS 69 -33.462 -96.377 1.947 587 HE2 HIS 69 HE2 HIS 69 -35.872 -96.228 2.674 588 1H MET 1 1H MET 1 -6.545 -12.972 8.562 589 2H MET 1 2H MET 1 -6.418 -11.350 8.099 590 3H MET 1 3H MET 1 -5.143 -12.097 8.921 591 HA MET 1 HA MET 1 -6.107 -12.853 6.231 592 1HB MET 1 2HB MET 1 -4.096 -11.801 5.369 593 2HB MET 1 1HB MET 1 -5.040 -10.629 6.272 594 1HG MET 1 2HG MET 1 -2.938 -10.152 7.014 595 2HG MET 1 1HG MET 1 -3.461 -11.303 8.240 596 1HE MET 1 1HE MET 1 -0.423 -10.665 7.993 597 2HE MET 1 2HE MET 1 0.266 -12.286 8.012 598 3HE MET 1 3HE MET 1 -1.089 -11.896 9.072 599 HA PRO 2 HA PRO 2 -3.491 -16.382 7.014 600 1HB PRO 2 2HB PRO 2 -3.474 -17.377 4.460 601 2HB PRO 2 1HB PRO 2 -4.807 -17.583 5.596 602 1HG PRO 2 2HG PRO 2 -4.705 -15.985 3.176 603 2HG PRO 2 1HG PRO 2 -6.101 -16.380 4.188 604 1HD PRO 2 2HD PRO 2 -4.535 -13.929 4.091 605 2HD PRO 2 1HD PRO 2 -6.079 -14.238 4.909 606 H LYS 3 H LYS 3 -2.721 -15.373 3.702 607 HA LYS 3 HA LYS 3 0.037 -14.788 4.556 608 1HB LYS 3 2HB LYS 3 -0.973 -16.286 2.171 609 2HB LYS 3 1HB LYS 3 0.479 -15.317 2.003 610 1HG LYS 3 2HG LYS 3 1.154 -17.535 2.456 611 2HG LYS 3 1HG LYS 3 1.454 -16.593 3.915 612 1HD LYS 3 2HD LYS 3 -0.548 -17.469 4.938 613 2HD LYS 3 1HD LYS 3 -0.967 -18.327 3.454 614 1HE LYS 3 2HE LYS 3 1.428 -18.834 5.218 615 2HE LYS 3 1HE LYS 3 0.013 -19.870 5.039 616 1HZ LYS 3 1HZ LYS 3 1.774 -20.752 3.714 617 2HZ LYS 3 2HZ LYS 3 2.048 -19.258 2.964 618 3HZ LYS 3 3HZ LYS 3 0.613 -20.106 2.659 619 H ILE 4 H ILE 4 1.117 -13.159 3.195 620 HA ILE 4 HA ILE 4 -0.778 -11.351 1.926 621 HB ILE 4 HB ILE 4 0.807 -9.554 2.380 622 1HG1 ILE 4 2HG1 ILE 4 2.783 -11.202 2.618 623 2HG1 ILE 4 1HG1 ILE 4 2.752 -9.763 3.604 624 1HG2 ILE 4 1HG2 ILE 4 -0.093 -11.046 4.829 625 2HG2 ILE 4 2HG2 ILE 4 -1.053 -9.914 3.878 626 3HG2 ILE 4 3HG2 ILE 4 0.351 -9.340 4.774 627 1HD1 ILE 4 1HD1 ILE 4 3.444 -11.581 4.976 628 2HD1 ILE 4 2HD1 ILE 4 2.055 -12.542 4.480 629 3HD1 ILE 4 3HD1 ILE 4 1.816 -11.103 5.467 630 H ILE 5 H ILE 5 -0.422 -10.758 -0.127 631 HA ILE 5 HA ILE 5 1.909 -11.902 -1.492 632 HB ILE 5 HB ILE 5 -0.489 -10.579 -2.789 633 1HG1 ILE 5 2HG1 ILE 5 -0.025 -13.513 -2.230 634 2HG1 ILE 5 1HG1 ILE 5 -1.240 -12.497 -1.461 635 1HG2 ILE 5 1HG2 ILE 5 0.237 -11.870 -4.761 636 2HG2 ILE 5 2HG2 ILE 5 1.645 -12.425 -3.854 637 3HG2 ILE 5 3HG2 ILE 5 1.449 -10.710 -4.224 638 1HD1 ILE 5 1HD1 ILE 5 -1.133 -13.147 -4.403 639 2HD1 ILE 5 2HD1 ILE 5 -2.387 -12.225 -3.571 640 3HD1 ILE 5 3HD1 ILE 5 -2.171 -13.938 -3.216 641 H GLU 6 H GLU 6 3.039 -10.488 -3.070 642 HA GLU 6 HA GLU 6 2.837 -7.651 -2.332 643 1HB GLU 6 2HB GLU 6 5.325 -9.306 -2.710 644 2HB GLU 6 1HB GLU 6 5.333 -7.551 -2.732 645 1HG GLU 6 2HG GLU 6 4.309 -7.590 -0.459 646 2HG GLU 6 1HG GLU 6 4.534 -9.336 -0.453 647 H ALA 7 H ALA 7 2.956 -6.188 -3.992 648 HA ALA 7 HA ALA 7 3.367 -7.146 -6.720 649 1HB ALA 7 1HB ALA 7 1.120 -6.528 -7.436 650 2HB ALA 7 2HB ALA 7 0.691 -6.093 -5.780 651 3HB ALA 7 3HB ALA 7 1.047 -7.773 -6.189 652 H VAL 8 H VAL 8 3.051 -5.424 -8.309 653 HA VAL 8 HA VAL 8 3.292 -2.730 -7.202 654 HB VAL 8 HB VAL 8 4.758 -2.228 -9.152 655 1HG1 VAL 8 1HG1 VAL 8 5.788 -4.303 -7.241 656 2HG1 VAL 8 2HG1 VAL 8 5.705 -2.565 -6.947 657 3HG1 VAL 8 3HG1 VAL 8 6.786 -3.199 -8.189 658 1HG2 VAL 8 1HG2 VAL 8 4.858 -5.219 -9.453 659 2HG2 VAL 8 2HG2 VAL 8 5.892 -4.069 -10.300 660 3HG2 VAL 8 3HG2 VAL 8 4.155 -4.082 -10.604 661 H TYR 9 H TYR 9 2.026 -1.210 -8.162 662 HA TYR 9 HA TYR 9 -0.249 -1.825 -9.653 663 1HB TYR 9 2HB TYR 9 1.273 0.772 -9.380 664 2HB TYR 9 1HB TYR 9 -0.359 0.599 -9.951 665 HD1 TYR 9 HD1 TYR 9 1.595 -0.494 -6.976 666 HD2 TYR 9 HD2 TYR 9 -1.999 1.216 -8.465 667 HE1 TYR 9 HE1 TYR 9 0.798 -0.199 -4.679 668 HE2 TYR 9 HE2 TYR 9 -2.814 1.513 -6.163 669 HH TYR 9 HH TYR 9 -0.788 1.169 -3.445 670 H GLU 10 H GLU 10 -0.823 -1.380 -11.739 671 HA GLU 10 HA GLU 10 1.183 -0.385 -13.587 672 1HB GLU 10 2HB GLU 10 1.293 -2.766 -13.866 673 2HB GLU 10 1HB GLU 10 -0.443 -2.873 -13.943 674 1HG GLU 10 2HG GLU 10 0.438 -3.139 -16.137 675 2HG GLU 10 1HG GLU 10 -0.398 -1.592 -16.052 676 H ASN 11 H ASN 11 0.241 1.424 -13.884 677 HA ASN 11 HA ASN 11 -1.284 3.028 -14.439 678 1HB ASN 11 2HB ASN 11 -1.273 1.265 -16.454 679 2HB ASN 11 1HB ASN 11 -2.942 1.087 -15.941 680 1HD2 ASN 11 1HD2 ASN 11 -4.360 2.836 -16.117 681 2HD2 ASN 11 2HD2 ASN 11 -4.014 4.178 -17.146 682 H GLY 12 H GLY 12 -1.761 1.621 -11.984 683 1HA GLY 12 2HA GLY 12 -3.975 1.841 -10.800 684 2HA GLY 12 1HA GLY 12 -4.646 1.038 -12.209 685 H VAL 13 H VAL 13 -3.127 -0.997 -12.716 686 HA VAL 13 HA VAL 13 -4.364 -2.568 -10.548 687 HB VAL 13 HB VAL 13 -4.525 -4.388 -12.222 688 1HG1 VAL 13 1HG1 VAL 13 -5.728 -1.754 -13.047 689 2HG1 VAL 13 2HG1 VAL 13 -6.388 -2.868 -11.850 690 3HG1 VAL 13 3HG1 VAL 13 -6.304 -3.344 -13.546 691 1HG2 VAL 13 1HG2 VAL 13 -2.676 -3.816 -13.687 692 2HG2 VAL 13 2HG2 VAL 13 -3.468 -2.306 -14.134 693 3HG2 VAL 13 3HG2 VAL 13 -4.179 -3.847 -14.612 694 H PHE 14 H PHE 14 -3.424 -4.424 -9.710 695 HA PHE 14 HA PHE 14 -0.578 -3.933 -9.414 696 1HB PHE 14 2HB PHE 14 -2.383 -5.783 -7.859 697 2HB PHE 14 1HB PHE 14 -0.756 -5.303 -7.419 698 HD1 PHE 14 HD1 PHE 14 -0.700 -3.906 -5.618 699 HD2 PHE 14 HD2 PHE 14 -3.879 -3.508 -8.411 700 HE1 PHE 14 HE1 PHE 14 -1.630 -2.054 -4.303 701 HE2 PHE 14 HE2 PHE 14 -4.801 -1.649 -7.100 702 HZ PHE 14 HZ PHE 14 -3.678 -0.925 -5.040 703 H LYS 15 H LYS 15 0.909 -5.117 -10.381 704 HA LYS 15 HA LYS 15 0.330 -7.910 -11.037 705 1HB LYS 15 2HB LYS 15 2.582 -6.059 -11.863 706 2HB LYS 15 1HB LYS 15 2.524 -7.762 -12.260 707 1HG LYS 15 2HG LYS 15 0.304 -7.245 -13.403 708 2HG LYS 15 1HG LYS 15 0.762 -5.547 -13.240 709 1HD LYS 15 2HD LYS 15 2.977 -7.030 -14.279 710 2HD LYS 15 1HD LYS 15 1.542 -7.377 -15.244 711 1HE LYS 15 2HE LYS 15 2.603 -5.519 -16.253 712 2HE LYS 15 1HE LYS 15 1.189 -4.891 -15.410 713 1HZ LYS 15 1HZ LYS 15 3.992 -4.788 -14.424 714 2HZ LYS 15 2HZ LYS 15 2.637 -4.203 -13.595 715 3HZ LYS 15 3HZ LYS 15 3.108 -3.483 -15.053 716 HA PRO 16 HA PRO 16 2.720 -8.424 -7.305 717 1HB PRO 16 2HB PRO 16 2.320 -11.082 -6.975 718 2HB PRO 16 1HB PRO 16 1.182 -9.839 -6.456 719 1HG PRO 16 2HG PRO 16 1.066 -11.667 -8.766 720 2HG PRO 16 1HG PRO 16 -0.246 -10.926 -7.845 721 1HD PRO 16 2HD PRO 16 0.662 -10.083 -10.359 722 2HD PRO 16 1HD PRO 16 -0.358 -9.148 -9.252 723 H LEU 17 H LEU 17 4.509 -9.625 -6.587 724 HA LEU 17 HA LEU 17 6.195 -10.781 -8.661 725 1HB LEU 17 2HB LEU 17 6.692 -10.523 -5.678 726 2HB LEU 17 1HB LEU 17 7.876 -10.968 -6.894 727 HG LEU 17 HG LEU 17 7.326 -8.611 -7.900 728 1HD1 LEU 17 1HD1 LEU 17 6.461 -8.252 -5.045 729 2HD1 LEU 17 2HD1 LEU 17 5.460 -8.061 -6.487 730 3HD1 LEU 17 3HD1 LEU 17 6.794 -6.947 -6.184 731 1HD2 LEU 17 1HD2 LEU 17 8.938 -8.941 -5.375 732 2HD2 LEU 17 2HD2 LEU 17 9.107 -7.631 -6.544 733 3HD2 LEU 17 3HD2 LEU 17 9.496 -9.287 -7.010 734 H GLN 18 H GLN 18 4.096 -11.453 -6.102 735 HA GLN 18 HA GLN 18 3.109 -13.279 -5.348 736 1HB GLN 18 2HB GLN 18 2.231 -12.676 -7.753 737 2HB GLN 18 1HB GLN 18 2.660 -14.372 -8.005 738 1HG GLN 18 2HG GLN 18 1.355 -15.035 -6.115 739 2HG GLN 18 1HG GLN 18 1.042 -13.374 -5.688 740 1HE2 GLN 18 1HE2 GLN 18 -0.650 -12.378 -6.467 741 2HE2 GLN 18 2HE2 GLN 18 -1.746 -13.034 -7.620 742 H LYS 19 H LYS 19 3.956 -15.521 -7.816 743 HA LYS 19 HA LYS 19 3.924 -17.719 -7.437 744 1HB LYS 19 2HB LYS 19 6.141 -17.087 -6.315 745 2HB LYS 19 1HB LYS 19 5.245 -17.146 -4.806 746 1HG LYS 19 2HG LYS 19 4.590 -19.472 -5.418 747 2HG LYS 19 1HG LYS 19 5.762 -19.374 -6.735 748 1HD LYS 19 2HD LYS 19 7.532 -18.890 -5.183 749 2HD LYS 19 1HD LYS 19 6.389 -18.870 -3.846 750 1HE LYS 19 2HE LYS 19 7.595 -20.976 -3.863 751 2HE LYS 19 1HE LYS 19 5.901 -21.256 -4.266 752 1HZ LYS 19 1HZ LYS 19 8.025 -20.964 -6.322 753 2HZ LYS 19 2HZ LYS 19 6.443 -21.534 -6.542 754 3HZ LYS 19 3HZ LYS 19 7.568 -22.464 -5.675 755 H VAL 20 H VAL 20 3.692 -18.194 -4.221 756 HA VAL 20 HA VAL 20 1.965 -18.340 -2.698 757 HB VAL 20 HB VAL 20 0.745 -16.269 -4.515 758 1HG1 VAL 20 1HG1 VAL 20 0.106 -16.874 -1.639 759 2HG1 VAL 20 2HG1 VAL 20 -0.945 -17.130 -3.031 760 3HG1 VAL 20 3HG1 VAL 20 -0.511 -15.493 -2.547 761 1HG2 VAL 20 1HG2 VAL 20 1.651 -14.551 -3.086 762 2HG2 VAL 20 2HG2 VAL 20 2.937 -15.564 -3.741 763 3HG2 VAL 20 3HG2 VAL 20 2.414 -15.778 -2.069 764 H ASP 21 H ASP 21 -0.541 -18.875 -2.707 765 HA ASP 21 HA ASP 21 -1.026 -20.683 -4.992 766 1HB ASP 21 2HB ASP 21 -0.211 -21.879 -3.058 767 2HB ASP 21 1HB ASP 21 -1.451 -21.180 -2.046 768 H LEU 22 H LEU 22 -2.037 -17.990 -4.086 769 HA LEU 22 HA LEU 22 -4.843 -18.422 -3.600 770 1HB LEU 22 2HB LEU 22 -3.225 -15.919 -4.027 771 2HB LEU 22 1HB LEU 22 -4.929 -15.948 -3.623 772 HG LEU 22 HG LEU 22 -2.771 -17.151 -1.897 773 1HD1 LEU 22 1HD1 LEU 22 -4.218 -14.536 -1.584 774 2HD1 LEU 22 2HD1 LEU 22 -2.520 -14.742 -2.016 775 3HD1 LEU 22 3HD1 LEU 22 -3.094 -15.250 -0.427 776 1HD2 LEU 22 1HD2 LEU 22 -5.690 -16.619 -1.368 777 2HD2 LEU 22 2HD2 LEU 22 -4.523 -17.213 -0.188 778 3HD2 LEU 22 3HD2 LEU 22 -4.936 -18.198 -1.590 779 H LYS 23 H LYS 23 -6.380 -16.890 -5.091 780 HA LYS 23 HA LYS 23 -5.732 -17.743 -7.797 781 1HB LYS 23 2HB LYS 23 -8.042 -18.665 -6.129 782 2HB LYS 23 1HB LYS 23 -8.016 -18.815 -7.874 783 1HG LYS 23 2HG LYS 23 -6.662 -20.579 -7.817 784 2HG LYS 23 1HG LYS 23 -5.594 -19.824 -6.635 785 1HD LYS 23 2HD LYS 23 -7.338 -20.389 -4.896 786 2HD LYS 23 1HD LYS 23 -8.120 -21.379 -6.133 787 1HE LYS 23 2HE LYS 23 -6.050 -22.671 -6.395 788 2HE LYS 23 1HE LYS 23 -5.281 -21.686 -5.152 789 1HZ LYS 23 1HZ LYS 23 -6.999 -22.475 -3.590 790 2HZ LYS 23 2HZ LYS 23 -6.017 -23.723 -4.186 791 3HZ LYS 23 3HZ LYS 23 -7.590 -23.516 -4.793 792 H GLU 24 H GLU 24 -7.850 -17.369 -9.215 793 HA GLU 24 HA GLU 24 -8.030 -14.521 -9.305 794 1HB GLU 24 2HB GLU 24 -9.377 -16.604 -11.033 795 2HB GLU 24 1HB GLU 24 -9.176 -14.904 -11.399 796 1HG GLU 24 2HG GLU 24 -6.735 -15.210 -11.405 797 2HG GLU 24 1HG GLU 24 -6.985 -16.934 -11.136 798 H GLY 25 H GLY 25 -9.866 -13.299 -9.317 799 1HA GLY 25 2HA GLY 25 -11.569 -12.436 -8.073 800 2HA GLY 25 1HA GLY 25 -12.353 -14.002 -8.250 801 H GLU 26 H GLU 26 -9.525 -12.692 -6.634 802 HA GLU 26 HA GLU 26 -10.515 -13.869 -4.131 803 1HB GLU 26 2HB GLU 26 -7.881 -13.888 -5.402 804 2HB GLU 26 1HB GLU 26 -7.827 -13.384 -3.714 805 1HG GLU 26 2HG GLU 26 -9.150 -15.889 -4.712 806 2HG GLU 26 1HG GLU 26 -7.520 -15.785 -4.073 807 H ARG 27 H ARG 27 -10.544 -12.670 -2.292 808 HA ARG 27 HA ARG 27 -10.751 -9.809 -2.760 809 1HB ARG 27 2HB ARG 27 -12.598 -10.965 -1.673 810 2HB ARG 27 1HB ARG 27 -11.529 -11.483 -0.380 811 1HG ARG 27 2HG ARG 27 -12.685 -9.665 0.499 812 2HG ARG 27 1HG ARG 27 -11.113 -9.014 0.030 813 1HD ARG 27 2HD ARG 27 -12.278 -7.448 -1.042 814 2HD ARG 27 1HD ARG 27 -12.598 -8.688 -2.249 815 HE ARG 27 HE ARG 27 -14.693 -9.157 -1.035 816 1HH1 ARG 27 1HH1 ARG 27 -13.105 -6.085 -0.552 817 2HH1 ARG 27 2HH1 ARG 27 -14.535 -5.264 -0.007 818 1HH2 ARG 27 1HH2 ARG 27 -16.599 -8.104 -0.295 819 2HH2 ARG 27 2HH2 ARG 27 -16.522 -6.425 0.157 820 H VAL 28 H VAL 28 -9.371 -8.379 -2.044 821 HA VAL 28 HA VAL 28 -7.340 -9.185 -0.085 822 HB VAL 28 HB VAL 28 -5.529 -8.256 -1.479 823 1HG1 VAL 28 1HG1 VAL 28 -5.903 -10.651 -1.507 824 2HG1 VAL 28 2HG1 VAL 28 -5.420 -10.100 -3.110 825 3HG1 VAL 28 3HG1 VAL 28 -7.111 -10.471 -2.780 826 1HG2 VAL 28 1HG2 VAL 28 -6.835 -6.726 -2.850 827 2HG2 VAL 28 2HG2 VAL 28 -7.645 -8.089 -3.620 828 3HG2 VAL 28 3HG2 VAL 28 -5.917 -7.842 -3.863 829 H LYS 29 H LYS 29 -6.382 -7.594 1.082 830 HA LYS 29 HA LYS 29 -7.323 -4.823 0.746 831 1HB LYS 29 2HB LYS 29 -6.495 -6.291 3.247 832 2HB LYS 29 1HB LYS 29 -6.896 -4.590 3.158 833 1HG LYS 29 2HG LYS 29 -9.165 -5.179 2.425 834 2HG LYS 29 1HG LYS 29 -8.749 -6.886 2.615 835 1HD LYS 29 2HD LYS 29 -8.130 -6.335 4.991 836 2HD LYS 29 1HD LYS 29 -8.884 -4.765 4.737 837 1HE LYS 29 2HE LYS 29 -11.004 -5.821 4.221 838 2HE LYS 29 1HE LYS 29 -10.274 -7.418 4.376 839 1HZ LYS 29 1HZ LYS 29 -9.999 -7.118 6.689 840 2HZ LYS 29 2HZ LYS 29 -11.578 -6.601 6.343 841 3HZ LYS 29 3HZ LYS 29 -10.351 -5.460 6.601 842 H ILE 30 H ILE 30 -5.793 -3.245 0.824 843 HA ILE 30 HA ILE 30 -3.028 -4.251 0.398 844 HB ILE 30 HB ILE 30 -4.083 -1.778 -0.912 845 1HG1 ILE 30 2HG1 ILE 30 -4.222 -4.502 -2.182 846 2HG1 ILE 30 1HG1 ILE 30 -5.598 -3.787 -1.353 847 1HG2 ILE 30 1HG2 ILE 30 -1.695 -2.164 -0.991 848 2HG2 ILE 30 2HG2 ILE 30 -2.389 -2.358 -2.601 849 3HG2 ILE 30 3HG2 ILE 30 -1.959 -3.778 -1.647 850 1HD1 ILE 30 1HD1 ILE 30 -4.194 -2.663 -3.763 851 2HD1 ILE 30 2HD1 ILE 30 -5.546 -1.910 -2.923 852 3HD1 ILE 30 3HD1 ILE 30 -5.770 -3.455 -3.741 853 H LYS 31 H LYS 31 -1.369 -3.088 1.169 854 HA LYS 31 HA LYS 31 -1.845 -0.428 2.188 855 1HB LYS 31 2HB LYS 31 -0.264 -0.833 4.013 856 2HB LYS 31 1HB LYS 31 -1.757 -1.735 4.183 857 1HG LYS 31 2HG LYS 31 -0.534 -3.497 4.468 858 2HG LYS 31 1HG LYS 31 -0.053 -3.410 2.789 859 1HD LYS 31 2HD LYS 31 1.882 -3.581 4.303 860 2HD LYS 31 1HD LYS 31 1.879 -2.073 3.385 861 1HE LYS 31 2HE LYS 31 1.041 -0.860 5.301 862 2HE LYS 31 1HE LYS 31 0.863 -2.355 6.216 863 1HZ LYS 31 1HZ LYS 31 3.493 -1.464 5.175 864 2HZ LYS 31 2HZ LYS 31 3.164 -2.599 6.396 865 3HZ LYS 31 3HZ LYS 31 2.901 -0.951 6.683 866 H LEU 32 H LEU 32 0.292 0.733 2.364 867 HA LEU 32 HA LEU 32 1.855 -0.042 0.004 868 1HB LEU 32 2HB LEU 32 1.014 2.685 0.968 869 2HB LEU 32 1HB LEU 32 2.227 2.436 -0.259 870 HG LEU 32 HG LEU 32 0.383 1.130 -1.519 871 1HD1 LEU 32 1HD1 LEU 32 -1.313 2.777 0.348 872 2HD1 LEU 32 2HD1 LEU 32 -1.218 1.017 0.309 873 3HD1 LEU 32 3HD1 LEU 32 -1.882 1.890 -1.070 874 1HD2 LEU 32 1HD2 LEU 32 -0.418 3.181 -2.548 875 2HD2 LEU 32 2HD2 LEU 32 1.321 3.238 -2.264 876 3HD2 LEU 32 3HD2 LEU 32 0.226 4.118 -1.197 877 H GLU 33 H GLU 33 4.009 -0.061 0.147 878 HA GLU 33 HA GLU 33 5.188 0.627 2.711 879 1HB GLU 33 2HB GLU 33 6.309 -0.804 0.307 880 2HB GLU 33 1HB GLU 33 7.190 -0.489 1.779 881 1HG GLU 33 2HG GLU 33 4.689 -2.143 1.600 882 2HG GLU 33 1HG GLU 33 6.330 -2.786 1.667 883 H LEU 34 H LEU 34 6.817 2.105 2.895 884 HA LEU 34 HA LEU 34 7.210 3.879 0.596 885 1HB LEU 34 2HB LEU 34 6.298 4.593 3.359 886 2HB LEU 34 1HB LEU 34 7.181 5.753 2.386 887 HG LEU 34 HG LEU 34 4.688 4.428 1.378 888 1HD1 LEU 34 1HD1 LEU 34 4.119 5.541 3.472 889 2HD1 LEU 34 2HD1 LEU 34 3.450 6.413 2.093 890 3HD1 LEU 34 3HD1 LEU 34 4.894 7.020 2.902 891 1HD2 LEU 34 1HD2 LEU 34 4.599 6.381 -0.083 892 2HD2 LEU 34 2HD2 LEU 34 6.116 5.502 -0.280 893 3HD2 LEU 34 3HD2 LEU 34 6.076 7.000 0.651 894 H LYS 35 H LYS 35 9.029 5.333 0.835 895 HA LYS 35 HA LYS 35 11.264 3.986 2.073 896 1HB LYS 35 2HB LYS 35 10.980 6.305 0.206 897 2HB LYS 35 1HB LYS 35 12.483 6.026 1.044 898 1HG LYS 35 2HG LYS 35 11.120 4.111 -0.826 899 2HG LYS 35 1HG LYS 35 12.556 5.076 -1.179 900 1HD LYS 35 2HD LYS 35 13.575 3.906 0.878 901 2HD LYS 35 1HD LYS 35 12.257 2.750 0.689 902 1HE LYS 35 2HE LYS 35 14.231 1.939 -0.448 903 2HE LYS 35 1HE LYS 35 12.978 2.333 -1.624 904 1HZ LYS 35 1HZ LYS 35 15.124 4.247 -0.912 905 2HZ LYS 35 2HZ LYS 35 14.099 4.277 -2.263 906 3HZ LYS 35 3HZ LYS 35 15.312 3.103 -2.147 907 H VAL 36 H VAL 36 12.753 5.148 3.395 908 HA VAL 36 HA VAL 36 11.453 7.125 5.125 909 HB VAL 36 HB VAL 36 12.250 5.106 6.251 910 1HG1 VAL 36 1HG1 VAL 36 14.993 5.903 5.303 911 2HG1 VAL 36 2HG1 VAL 36 14.065 4.507 4.756 912 3HG1 VAL 36 3HG1 VAL 36 14.624 4.591 6.424 913 1HG2 VAL 36 1HG2 VAL 36 12.247 7.186 7.504 914 2HG2 VAL 36 2HG2 VAL 36 13.886 7.536 6.955 915 3HG2 VAL 36 3HG2 VAL 36 13.586 6.156 8.012 916 H GLU 37 H GLU 37 12.594 9.012 5.678 917 HA GLU 37 HA GLU 37 14.138 10.152 3.607 918 1HB GLU 37 2HB GLU 37 13.681 11.034 6.462 919 2HB GLU 37 1HB GLU 37 14.374 12.028 5.196 920 1HG GLU 37 2HG GLU 37 12.324 11.949 3.936 921 2HG GLU 37 1HG GLU 37 11.624 10.830 5.104 922 HA PRO 38 HA PRO 38 17.717 7.921 4.932 923 1HB PRO 38 2HB PRO 38 19.308 8.481 2.838 924 2HB PRO 38 1HB PRO 38 17.917 7.398 2.699 925 1HG PRO 38 2HG PRO 38 18.163 10.274 1.916 926 2HG PRO 38 1HG PRO 38 17.389 8.939 1.041 927 1HD PRO 38 2HD PRO 38 16.019 10.771 2.546 928 2HD PRO 38 1HD PRO 38 15.452 9.116 2.251 929 H ILE 39 H ILE 39 20.064 8.283 5.165 930 HA ILE 39 HA ILE 39 20.546 10.698 6.597 931 HB ILE 39 HB ILE 39 22.646 9.776 7.195 932 1HG1 ILE 39 2HG1 ILE 39 23.298 8.968 4.909 933 2HG1 ILE 39 1HG1 ILE 39 23.696 7.857 6.206 934 1HG2 ILE 39 1HG2 ILE 39 20.750 8.811 8.323 935 2HG2 ILE 39 2HG2 ILE 39 22.014 7.598 8.117 936 3HG2 ILE 39 3HG2 ILE 39 20.597 7.583 7.066 937 1HD1 ILE 39 1HD1 ILE 39 21.645 6.562 5.631 938 2HD1 ILE 39 2HD1 ILE 39 22.875 6.595 4.366 939 3HD1 ILE 39 3HD1 ILE 39 21.446 7.617 4.231 940 H ASP 40 H ASP 40 22.788 11.753 6.230 941 HA ASP 40 HA ASP 40 22.780 12.743 3.494 942 1HB ASP 40 2HB ASP 40 22.847 14.391 5.275 943 2HB ASP 40 1HB ASP 40 24.281 13.633 5.961 944 H LEU 41 H LEU 41 24.410 12.466 2.039 945 HA LEU 41 HA LEU 41 26.515 10.563 2.826 946 1HB LEU 41 2HB LEU 41 24.892 9.704 1.173 947 2HB LEU 41 1HB LEU 41 25.291 11.032 0.103 948 HG LEU 41 HG LEU 41 27.603 10.168 -0.075 949 1HD1 LEU 41 1HD1 LEU 41 28.076 7.890 0.723 950 2HD1 LEU 41 2HD1 LEU 41 26.519 7.872 1.549 951 3HD1 LEU 41 3HD1 LEU 41 27.768 9.012 2.048 952 1HD2 LEU 41 1HD2 LEU 41 27.053 8.238 -1.473 953 2HD2 LEU 41 2HD2 LEU 41 25.927 9.569 -1.743 954 3HD2 LEU 41 3HD2 LEU 41 25.439 8.183 -0.765 955 H GLY 42 H GLY 42 28.627 10.961 2.204 956 1HA GLY 42 2HA GLY 42 29.140 13.665 1.182 957 2HA GLY 42 1HA GLY 42 30.167 12.850 2.349 958 H GLU 43 H GLU 43 29.833 13.656 -0.772 959 HA GLU 43 HA GLU 43 30.839 11.343 -2.086 960 1HB GLU 43 2HB GLU 43 31.128 12.839 -4.026 961 2HB GLU 43 1HB GLU 43 29.522 12.936 -3.337 962 1HG GLU 43 2HG GLU 43 31.664 14.920 -2.657 963 2HG GLU 43 1HG GLU 43 30.648 15.096 -4.083 964 HA PRO 44 HA PRO 44 35.076 11.944 -0.889 965 1HB PRO 44 2HB PRO 44 36.114 9.857 -2.262 966 2HB PRO 44 1HB PRO 44 35.178 9.649 -0.779 967 1HG PRO 44 2HG PRO 44 34.328 9.303 -3.619 968 2HG PRO 44 1HG PRO 44 33.927 8.319 -2.199 969 1HD PRO 44 2HD PRO 44 32.244 10.196 -3.269 970 2HD PRO 44 1HD PRO 44 32.225 9.715 -1.562 971 H VAL 45 H VAL 45 37.245 12.055 -2.054 972 HA VAL 45 HA VAL 45 36.904 13.308 -4.702 973 HB VAL 45 HB VAL 45 39.085 14.103 -2.803 974 1HG1 VAL 45 1HG1 VAL 45 39.363 14.779 -5.094 975 2HG1 VAL 45 2HG1 VAL 45 39.030 16.194 -4.095 976 3HG1 VAL 45 3HG1 VAL 45 37.759 15.507 -5.107 977 1HG2 VAL 45 1HG2 VAL 45 37.731 16.013 -2.055 978 2HG2 VAL 45 2HG2 VAL 45 37.036 14.470 -1.556 979 3HG2 VAL 45 3HG2 VAL 45 36.345 15.351 -2.919 980 H SER 46 H SER 46 38.627 13.002 -6.169 981 HA SER 46 HA SER 46 40.615 10.988 -5.412 982 1HB SER 46 2HB SER 46 39.291 11.323 -8.110 983 2HB SER 46 1HB SER 46 40.453 10.093 -7.661 984 HG SER 46 HG SER 46 38.510 9.986 -5.888 985 H VAL 47 H VAL 47 42.527 11.079 -7.006 986 HA VAL 47 HA VAL 47 43.070 13.850 -7.829 987 HB VAL 47 HB VAL 47 45.063 12.136 -6.336 988 1HG1 VAL 47 1HG1 VAL 47 46.075 13.672 -7.930 989 2HG1 VAL 47 2HG1 VAL 47 46.415 14.174 -6.273 990 3HG1 VAL 47 3HG1 VAL 47 45.185 15.016 -7.217 991 1HG2 VAL 47 1HG2 VAL 47 43.277 12.861 -4.828 992 2HG2 VAL 47 2HG2 VAL 47 43.516 14.532 -5.341 993 3HG2 VAL 47 3HG2 VAL 47 44.792 13.688 -4.463 994 H GLU 48 H GLU 48 43.832 13.936 -9.849 995 HA GLU 48 HA GLU 48 44.952 11.489 -11.036 996 1HB GLU 48 2HB GLU 48 44.224 13.988 -12.523 997 2HB GLU 48 1HB GLU 48 44.427 12.372 -13.166 998 1HG GLU 48 2HG GLU 48 42.406 11.662 -11.968 999 2HG GLU 48 1HG GLU 48 42.181 13.318 -11.408 1000 H GLU 49 H GLU 49 47.033 11.456 -10.621 1001 HA GLU 49 HA GLU 49 48.601 13.888 -10.487 1002 1HB GLU 49 2HB GLU 49 49.429 11.017 -10.073 1003 2HB GLU 49 1HB GLU 49 50.407 12.434 -9.707 1004 1HG GLU 49 2HG GLU 49 48.806 13.142 -8.033 1005 2HG GLU 49 1HG GLU 49 47.765 11.773 -8.421 1006 H ILE 50 H ILE 50 48.020 11.315 -12.652 1007 HA ILE 50 HA ILE 50 50.383 11.753 -14.273 1008 HB ILE 50 HB ILE 50 49.359 9.496 -13.933 1009 1HG1 ILE 50 2HG1 ILE 50 49.432 10.414 -16.820 1010 2HG1 ILE 50 1HG1 ILE 50 50.845 9.985 -15.865 1011 1HG2 ILE 50 1HG2 ILE 50 47.158 10.605 -15.673 1012 2HG2 ILE 50 2HG2 ILE 50 47.017 10.107 -13.988 1013 3HG2 ILE 50 3HG2 ILE 50 47.352 8.908 -15.237 1014 1HD1 ILE 50 1HD1 ILE 50 48.601 8.138 -16.629 1015 2HD1 ILE 50 2HD1 ILE 50 50.000 7.703 -15.647 1016 3HD1 ILE 50 3HD1 ILE 50 50.216 8.172 -17.334 1017 H LYS 51 H LYS 51 47.683 13.445 -13.833 1018 HA LYS 51 HA LYS 51 46.803 13.860 -16.539 1019 1HB LYS 51 2HB LYS 51 45.330 13.961 -14.524 1020 2HB LYS 51 1HB LYS 51 46.163 15.427 -14.035 1021 1HG LYS 51 2HG LYS 51 45.351 16.576 -16.001 1022 2HG LYS 51 1HG LYS 51 44.576 15.092 -16.573 1023 1HD LYS 51 2HD LYS 51 43.282 15.059 -14.424 1024 2HD LYS 51 1HD LYS 51 43.932 16.662 -14.083 1025 1HE LYS 51 2HE LYS 51 42.852 17.574 -16.011 1026 2HE LYS 51 1HE LYS 51 42.347 15.965 -16.544 1027 1HZ LYS 51 1HZ LYS 51 41.460 17.346 -14.063 1028 2HZ LYS 51 2HZ LYS 51 41.020 15.773 -14.513 1029 3HZ LYS 51 3HZ LYS 51 40.516 17.095 -15.451 1030 H LYS 52 H LYS 52 47.440 15.409 -17.910 1031 HA LYS 52 HA LYS 52 49.149 17.582 -16.949 1032 1HB LYS 52 2HB LYS 52 49.781 15.443 -18.893 1033 2HB LYS 52 1HB LYS 52 50.248 17.065 -19.349 1034 1HG LYS 52 2HG LYS 52 52.143 16.215 -18.323 1035 2HG LYS 52 1HG LYS 52 51.386 17.170 -17.049 1036 1HD LYS 52 2HD LYS 52 50.468 15.187 -16.041 1037 2HD LYS 52 1HD LYS 52 51.038 14.191 -17.381 1038 1HE LYS 52 2HE LYS 52 52.758 15.695 -15.406 1039 2HE LYS 52 1HE LYS 52 52.501 13.951 -15.456 1040 1HZ LYS 52 1HZ LYS 52 54.594 14.530 -16.492 1041 2HZ LYS 52 2HZ LYS 52 53.816 15.582 -17.568 1042 3HZ LYS 52 3HZ LYS 52 53.530 13.914 -17.663 1043 H ILE 53 H ILE 53 49.145 19.442 -18.268 1044 HA ILE 53 HA ILE 53 46.981 19.605 -20.243 1045 HB ILE 53 HB ILE 53 48.708 21.821 -19.118 1046 1HG1 ILE 53 2HG1 ILE 53 45.849 21.104 -18.433 1047 2HG1 ILE 53 1HG1 ILE 53 47.240 20.741 -17.423 1048 1HG2 ILE 53 1HG2 ILE 53 46.187 21.940 -20.774 1049 2HG2 ILE 53 2HG2 ILE 53 47.813 22.344 -21.320 1050 3HG2 ILE 53 3HG2 ILE 53 47.033 23.324 -20.078 1051 1HD1 ILE 53 1HD1 ILE 53 47.694 23.121 -17.168 1052 2HD1 ILE 53 2HD1 ILE 53 46.068 22.707 -16.623 1053 3HD1 ILE 53 3HD1 ILE 53 46.302 23.493 -18.184 1054 H ARG 54 H ARG 54 47.686 18.824 -22.148 1055 HA ARG 54 HA ARG 54 50.419 19.323 -23.010 1056 1HB ARG 54 2HB ARG 54 49.827 17.770 -24.879 1057 2HB ARG 54 1HB ARG 54 49.692 17.063 -23.275 1058 1HG ARG 54 2HG ARG 54 47.338 17.129 -23.325 1059 2HG ARG 54 1HG ARG 54 47.321 18.214 -24.717 1060 1HD ARG 54 2HD ARG 54 48.455 15.430 -24.818 1061 2HD ARG 54 1HD ARG 54 46.770 15.796 -25.187 1062 HE ARG 54 HE ARG 54 47.738 17.362 -26.928 1063 1HH1 ARG 54 1HH1 ARG 54 49.459 14.499 -25.849 1064 2HH1 ARG 54 2HH1 ARG 54 50.252 14.259 -27.377 1065 1HH2 ARG 54 1HH2 ARG 54 48.784 17.023 -28.937 1066 2HH2 ARG 54 2HH2 ARG 54 49.872 15.680 -29.122 1067 H ASP 55 H ASP 55 50.931 20.163 -25.071 1068 HA ASP 55 HA ASP 55 48.893 21.250 -26.772 1069 1HB ASP 55 2HB ASP 55 49.075 23.031 -25.067 1070 2HB ASP 55 1HB ASP 55 50.796 23.168 -25.395 1071 H GLY 56 H GLY 56 49.764 22.021 -28.770 1072 1HA GLY 56 2HA GLY 56 52.601 21.351 -29.224 1073 2HA GLY 56 1HA GLY 56 51.365 20.658 -30.267 1074 H THR 57 H THR 57 53.638 22.558 -30.796 1075 HA THR 57 HA THR 57 52.010 24.697 -32.004 1076 HB THR 57 HB THR 57 53.393 25.486 -30.050 1077 HG1 THR 57 HG1 THR 57 52.725 26.871 -31.817 1078 1HG2 THR 57 1HG2 THR 57 55.364 24.096 -30.400 1079 2HG2 THR 57 2HG2 THR 57 55.798 25.805 -30.405 1080 3HG2 THR 57 3HG2 THR 57 55.690 24.917 -31.927 1081 H TRP 58 H TRP 58 53.259 25.801 -33.839 1082 HA TRP 58 HA TRP 58 54.771 23.809 -35.380 1083 1HB TRP 58 2HB TRP 58 52.469 23.804 -36.183 1084 2HB TRP 58 1HB TRP 58 52.500 25.552 -36.367 1085 HD1 TRP 58 HD1 TRP 58 52.911 26.338 -38.746 1086 HE1 TRP 58 HE1 TRP 58 53.993 25.359 -40.867 1087 HE3 TRP 58 HE3 TRP 58 54.593 21.910 -36.823 1088 HZ2 TRP 58 HZ2 TRP 58 55.385 23.018 -41.624 1089 HZ3 TRP 58 HZ3 TRP 58 55.792 20.356 -38.307 1090 HH2 TRP 58 HH2 TRP 58 56.181 20.898 -40.659 1091 H MET 59 H MET 59 56.423 24.625 -36.645 1092 HA MET 59 HA MET 59 56.864 27.528 -36.467 1093 1HB MET 59 2HB MET 59 58.393 26.385 -34.948 1094 2HB MET 59 1HB MET 59 58.931 25.330 -36.248 1095 1HG MET 59 2HG MET 59 59.929 27.184 -37.410 1096 2HG MET 59 1HG MET 59 59.284 28.318 -36.224 1097 1HE MET 59 1HE MET 59 59.760 26.781 -33.467 1098 2HE MET 59 2HE MET 59 60.055 28.492 -33.767 1099 3HE MET 59 3HE MET 59 61.309 27.498 -33.024 1100 H SER 60 H SER 60 56.999 28.491 -38.355 1101 HA SER 60 HA SER 60 57.210 26.995 -40.795 1102 1HB SER 60 2HB SER 60 57.098 29.975 -40.277 1103 2HB SER 60 1HB SER 60 57.004 29.222 -41.871 1104 HG SER 60 HG SER 60 55.053 28.390 -41.387 1105 H SER 61 H SER 61 58.889 26.891 -42.189 1106 HA SER 61 HA SER 61 61.483 27.813 -41.172 1107 1HB SER 61 2HB SER 61 61.006 25.355 -41.729 1108 2HB SER 61 1HB SER 61 61.006 25.852 -43.419 1109 HG SER 61 HG SER 61 63.057 25.153 -42.870 1110 H LEU 62 H LEU 62 59.389 29.368 -42.658 1111 HA LEU 62 HA LEU 62 59.203 30.992 -44.174 1112 1HB LEU 62 2HB LEU 62 62.184 30.608 -44.252 1113 2HB LEU 62 1HB LEU 62 61.365 31.757 -45.274 1114 HG LEU 62 HG LEU 62 60.439 32.837 -43.192 1115 1HD1 LEU 62 1HD1 LEU 62 61.577 32.415 -41.089 1116 2HD1 LEU 62 2HD1 LEU 62 62.530 31.136 -41.839 1117 3HD1 LEU 62 3HD1 LEU 62 60.785 30.947 -41.665 1118 1HD2 LEU 62 1HD2 LEU 62 63.431 32.791 -43.538 1119 2HD2 LEU 62 2HD2 LEU 62 62.500 34.043 -42.715 1120 3HD2 LEU 62 3HD2 LEU 62 62.293 33.787 -44.448 1121 H GLU 63 H GLU 63 60.337 31.388 -46.694 1122 HA GLU 63 HA GLU 63 60.006 28.871 -48.123 1123 1HB GLU 63 2HB GLU 63 57.835 30.574 -47.705 1124 2HB GLU 63 1HB GLU 63 58.362 30.933 -49.343 1125 1HG GLU 63 2HG GLU 63 57.815 28.144 -48.364 1126 2HG GLU 63 1HG GLU 63 56.597 29.165 -49.127 1127 H HIS 64 H HIS 64 60.245 29.292 -50.563 1128 HA HIS 64 HA HIS 64 62.738 30.675 -50.872 1129 1HB HIS 64 2HB HIS 64 62.837 29.744 -53.067 1130 2HB HIS 64 1HB HIS 64 62.185 28.506 -52.008 1131 HD1 HIS 64 HD1 HIS 64 59.590 27.961 -52.297 1132 HD2 HIS 64 HD2 HIS 64 61.235 30.485 -55.173 1133 HE1 HIS 64 HE1 HIS 64 57.985 27.930 -54.233 1134 HE2 HIS 64 HE2 HIS 64 59.002 29.442 -55.976 1135 H HIS 65 H HIS 65 63.231 32.392 -52.226 1136 HA HIS 65 HA HIS 65 61.010 33.963 -53.294 1137 1HB HIS 65 2HB HIS 65 61.665 35.992 -52.176 1138 2HB HIS 65 1HB HIS 65 61.461 34.752 -50.945 1139 HD1 HIS 65 HD1 HIS 65 63.850 37.192 -52.229 1140 HD2 HIS 65 HD2 HIS 65 64.009 33.722 -49.941 1141 HE1 HIS 65 HE1 HIS 65 66.115 37.209 -51.129 1142 HE2 HIS 65 HE2 HIS 65 66.130 35.181 -49.632 1143 H HIS 66 H HIS 66 61.715 35.605 -54.823 1144 HA HIS 66 HA HIS 66 64.467 35.218 -55.772 1145 1HB HIS 66 2HB HIS 66 61.955 35.041 -57.422 1146 2HB HIS 66 1HB HIS 66 63.521 35.399 -58.141 1147 HD1 HIS 66 HD1 HIS 66 61.439 32.694 -58.004 1148 HD2 HIS 66 HD2 HIS 66 65.406 33.189 -56.863 1149 HE1 HIS 66 HE1 HIS 66 62.441 30.385 -58.007 1150 HE2 HIS 66 HE2 HIS 66 64.786 30.697 -57.128 1151 H HIS 67 H HIS 67 65.235 37.154 -55.156 1152 HA HIS 67 HA HIS 67 63.958 39.522 -56.364 1153 1HB HIS 67 2HB HIS 67 64.483 39.492 -53.862 1154 2HB HIS 67 1HB HIS 67 66.185 39.513 -54.311 1155 HD1 HIS 67 HD1 HIS 67 67.199 41.764 -54.657 1156 HD2 HIS 67 HD2 HIS 67 63.043 41.873 -54.799 1157 HE1 HIS 67 HE1 HIS 67 66.589 44.199 -54.799 1158 HE2 HIS 67 HE2 HIS 67 64.070 44.251 -54.806 1159 H HIS 68 H HIS 68 64.716 39.691 -58.392 1160 HA HIS 68 HA HIS 68 66.866 38.293 -59.401 1161 1HB HIS 68 2HB HIS 68 64.976 39.365 -60.699 1162 2HB HIS 68 1HB HIS 68 65.873 40.875 -60.597 1163 HD1 HIS 68 HD1 HIS 68 65.719 37.667 -62.421 1164 HD2 HIS 68 HD2 HIS 68 68.316 40.899 -62.096 1165 HE1 HIS 68 HE1 HIS 68 67.311 37.457 -64.358 1166 HE2 HIS 68 HE2 HIS 68 68.996 39.299 -64.016 1167 H HIS 69 H HIS 69 66.831 41.738 -58.497 1168 HA HIS 69 HA HIS 69 69.740 41.543 -58.181 1169 1HB HIS 69 2HB HIS 69 69.331 42.670 -60.325 1170 2HB HIS 69 1HB HIS 69 68.294 43.844 -59.519 1171 HD1 HIS 69 HD1 HIS 69 71.915 42.751 -59.624 1172 HD2 HIS 69 HD2 HIS 69 69.602 46.008 -58.465 1173 HE1 HIS 69 HE1 HIS 69 73.551 44.569 -59.037 1174 HE2 HIS 69 HE2 HIS 69 72.131 46.492 -58.222 Start of MODEL 9 1 1H MET 1 1H MET 1 -7.334 11.406 4.395 2 2H MET 1 2H MET 1 -7.417 11.759 6.051 3 3H MET 1 3H MET 1 -8.261 10.429 5.426 4 HA MET 1 HA MET 1 -5.319 10.730 5.524 5 1HB MET 1 2HB MET 1 -6.368 10.307 7.720 6 2HB MET 1 1HB MET 1 -7.189 8.907 7.056 7 1HG MET 1 2HG MET 1 -5.057 7.804 6.680 8 2HG MET 1 1HG MET 1 -4.208 9.219 7.299 9 1HE MET 1 1HE MET 1 -3.672 6.509 10.092 10 2HE MET 1 2HE MET 1 -2.878 7.641 8.998 11 3HE MET 1 3HE MET 1 -3.745 6.248 8.351 12 HA PRO 2 HA PRO 2 -4.911 7.964 2.079 13 1HB PRO 2 2HB PRO 2 -3.090 6.547 3.995 14 2HB PRO 2 1HB PRO 2 -2.833 6.943 2.290 15 1HG PRO 2 2HG PRO 2 -1.715 8.420 4.195 16 2HG PRO 2 1HG PRO 2 -2.386 9.173 2.736 17 1HD PRO 2 2HD PRO 2 -3.442 9.163 5.510 18 2HD PRO 2 1HD PRO 2 -3.651 10.368 4.223 19 H LYS 3 H LYS 3 -6.472 6.578 1.606 20 HA LYS 3 HA LYS 3 -7.605 4.772 3.544 21 1HB LYS 3 2HB LYS 3 -8.079 5.113 0.580 22 2HB LYS 3 1HB LYS 3 -8.978 4.006 1.599 23 1HG LYS 3 2HG LYS 3 -9.911 5.836 2.850 24 2HG LYS 3 1HG LYS 3 -8.916 6.993 1.955 25 1HD LYS 3 2HD LYS 3 -10.034 6.425 -0.107 26 2HD LYS 3 1HD LYS 3 -10.936 5.142 0.699 27 1HE LYS 3 2HE LYS 3 -11.154 8.034 1.498 28 2HE LYS 3 1HE LYS 3 -12.182 7.309 0.264 29 1HZ LYS 3 1HZ LYS 3 -13.205 7.328 2.480 30 2HZ LYS 3 2HZ LYS 3 -11.965 6.331 3.062 31 3HZ LYS 3 3HZ LYS 3 -13.024 5.756 1.866 32 H ILE 4 H ILE 4 -7.717 2.451 3.211 33 HA ILE 4 HA ILE 4 -5.449 1.307 1.864 34 HB ILE 4 HB ILE 4 -6.192 -0.797 2.709 35 1HG1 ILE 4 2HG1 ILE 4 -8.657 -0.274 2.306 36 2HG1 ILE 4 1HG1 ILE 4 -8.261 -1.249 3.701 37 1HG2 ILE 4 1HG2 ILE 4 -6.188 -0.385 5.128 38 2HG2 ILE 4 2HG2 ILE 4 -6.496 1.324 4.824 39 3HG2 ILE 4 3HG2 ILE 4 -4.985 0.589 4.285 40 1HD1 ILE 4 1HD1 ILE 4 -8.380 0.950 5.021 41 2HD1 ILE 4 2HD1 ILE 4 -9.882 0.212 4.470 42 3HD1 ILE 4 3HD1 ILE 4 -9.204 1.579 3.592 43 H ILE 5 H ILE 5 -5.607 0.056 0.001 44 HA ILE 5 HA ILE 5 -7.927 0.664 -1.626 45 HB ILE 5 HB ILE 5 -5.526 -0.971 -2.395 46 1HG1 ILE 5 2HG1 ILE 5 -5.947 2.016 -2.638 47 2HG1 ILE 5 1HG1 ILE 5 -4.804 1.226 -1.558 48 1HG2 ILE 5 1HG2 ILE 5 -7.414 -1.198 -3.892 49 2HG2 ILE 5 2HG2 ILE 5 -6.121 -0.290 -4.674 50 3HG2 ILE 5 3HG2 ILE 5 -7.531 0.557 -4.039 51 1HD1 ILE 5 1HD1 ILE 5 -3.540 0.408 -3.436 52 2HD1 ILE 5 2HD1 ILE 5 -3.741 2.158 -3.551 53 3HD1 ILE 5 3HD1 ILE 5 -4.724 1.090 -4.555 54 H GLU 6 H GLU 6 -9.159 -0.939 -2.642 55 HA GLU 6 HA GLU 6 -9.157 -3.573 -1.357 56 1HB GLU 6 2HB GLU 6 -11.535 -1.875 -2.155 57 2HB GLU 6 1HB GLU 6 -11.617 -3.493 -1.488 58 1HG GLU 6 2HG GLU 6 -10.814 -2.784 0.614 59 2HG GLU 6 1HG GLU 6 -10.347 -1.207 -0.017 60 H ALA 7 H ALA 7 -9.105 -5.211 -2.827 61 HA ALA 7 HA ALA 7 -9.712 -4.579 -5.625 62 1HB ALA 7 1HB ALA 7 -7.544 -5.429 -6.373 63 2HB ALA 7 2HB ALA 7 -7.042 -5.648 -4.696 64 3HB ALA 7 3HB ALA 7 -7.350 -4.028 -5.320 65 H VAL 8 H VAL 8 -9.534 -6.579 -6.999 66 HA VAL 8 HA VAL 8 -9.893 -9.071 -5.512 67 HB VAL 8 HB VAL 8 -11.464 -9.727 -7.355 68 1HG1 VAL 8 1HG1 VAL 8 -12.319 -7.412 -5.635 69 2HG1 VAL 8 2HG1 VAL 8 -12.274 -9.106 -5.147 70 3HG1 VAL 8 3HG1 VAL 8 -13.395 -8.580 -6.402 71 1HG2 VAL 8 1HG2 VAL 8 -12.588 -7.923 -8.598 72 2HG2 VAL 8 2HG2 VAL 8 -10.885 -8.084 -9.027 73 3HG2 VAL 8 3HG2 VAL 8 -11.409 -6.780 -7.959 74 H TYR 9 H TYR 9 -8.566 -10.644 -6.146 75 HA TYR 9 HA TYR 9 -6.889 -10.415 -8.481 76 1HB TYR 9 2HB TYR 9 -6.135 -11.649 -6.461 77 2HB TYR 9 1HB TYR 9 -7.436 -12.812 -6.690 78 HD1 TYR 9 HD1 TYR 9 -4.555 -11.348 -8.572 79 HD2 TYR 9 HD2 TYR 9 -6.939 -14.779 -7.781 80 HE1 TYR 9 HE1 TYR 9 -3.086 -12.689 -10.003 81 HE2 TYR 9 HE2 TYR 9 -5.476 -16.134 -9.216 82 HH TYR 9 HH TYR 9 -2.469 -14.887 -10.454 83 H GLU 10 H GLU 10 -7.488 -10.781 -10.405 84 HA GLU 10 HA GLU 10 -9.345 -12.846 -11.198 85 1HB GLU 10 2HB GLU 10 -10.740 -10.859 -10.575 86 2HB GLU 10 1HB GLU 10 -9.887 -9.929 -11.785 87 1HG GLU 10 2HG GLU 10 -10.698 -11.568 -13.491 88 2HG GLU 10 1HG GLU 10 -11.717 -12.263 -12.231 89 H ASN 11 H ASN 11 -8.838 -13.514 -13.259 90 HA ASN 11 HA ASN 11 -7.835 -13.646 -15.309 91 1HB ASN 11 2HB ASN 11 -8.937 -11.299 -15.474 92 2HB ASN 11 1HB ASN 11 -7.316 -10.681 -15.215 93 1HD2 ASN 11 1HD2 ASN 11 -5.826 -10.791 -16.814 94 2HD2 ASN 11 2HD2 ASN 11 -6.197 -11.246 -18.443 95 H GLY 12 H GLY 12 -6.324 -13.779 -12.788 96 1HA GLY 12 2HA GLY 12 -4.125 -14.052 -12.146 97 2HA GLY 12 1HA GLY 12 -3.673 -13.769 -13.819 98 H VAL 13 H VAL 13 -5.599 -11.421 -12.233 99 HA VAL 13 HA VAL 13 -3.272 -9.632 -11.887 100 HB VAL 13 HB VAL 13 -5.915 -8.891 -13.151 101 1HG1 VAL 13 1HG1 VAL 13 -4.813 -6.760 -13.700 102 2HG1 VAL 13 2HG1 VAL 13 -3.409 -7.276 -12.763 103 3HG1 VAL 13 3HG1 VAL 13 -4.966 -7.038 -11.964 104 1HG2 VAL 13 1HG2 VAL 13 -4.663 -8.604 -15.254 105 2HG2 VAL 13 2HG2 VAL 13 -4.649 -10.275 -14.685 106 3HG2 VAL 13 3HG2 VAL 13 -3.228 -9.256 -14.465 107 H PHE 14 H PHE 14 -3.710 -7.901 -10.313 108 HA PHE 14 HA PHE 14 -6.142 -8.380 -8.740 109 1HB PHE 14 2HB PHE 14 -3.494 -7.163 -8.036 110 2HB PHE 14 1HB PHE 14 -4.919 -6.836 -7.070 111 HD1 PHE 14 HD1 PHE 14 -2.468 -9.391 -8.050 112 HD2 PHE 14 HD2 PHE 14 -5.906 -8.529 -5.696 113 HE1 PHE 14 HE1 PHE 14 -2.093 -11.451 -6.749 114 HE2 PHE 14 HE2 PHE 14 -5.538 -10.581 -4.397 115 HZ PHE 14 HZ PHE 14 -3.636 -12.051 -4.910 116 H LYS 15 H LYS 15 -7.743 -7.080 -9.241 117 HA LYS 15 HA LYS 15 -7.153 -4.350 -10.174 118 1HB LYS 15 2HB LYS 15 -9.437 -6.218 -10.779 119 2HB LYS 15 1HB LYS 15 -9.561 -4.493 -11.049 120 1HG LYS 15 2HG LYS 15 -8.907 -5.105 -13.108 121 2HG LYS 15 1HG LYS 15 -7.313 -4.938 -12.372 122 1HD LYS 15 2HD LYS 15 -7.517 -7.015 -13.662 123 2HD LYS 15 1HD LYS 15 -7.229 -7.330 -11.951 124 1HE LYS 15 2HE LYS 15 -8.945 -8.817 -12.915 125 2HE LYS 15 1HE LYS 15 -9.574 -7.814 -11.609 126 1HZ LYS 15 1HZ LYS 15 -10.643 -6.393 -13.183 127 2HZ LYS 15 2HZ LYS 15 -11.060 -7.990 -13.572 128 3HZ LYS 15 3HZ LYS 15 -9.894 -7.166 -14.494 129 HA PRO 16 HA PRO 16 -9.053 -3.172 -6.316 130 1HB PRO 16 2HB PRO 16 -9.327 -0.518 -6.925 131 2HB PRO 16 1HB PRO 16 -7.839 -1.245 -6.310 132 1HG PRO 16 2HG PRO 16 -8.588 -0.562 -9.121 133 2HG PRO 16 1HG PRO 16 -7.031 -0.365 -8.297 134 1HD PRO 16 2HD PRO 16 -7.505 -2.392 -9.999 135 2HD PRO 16 1HD PRO 16 -6.462 -2.583 -8.576 136 H LEU 17 H LEU 17 -11.005 -2.074 -5.656 137 HA LEU 17 HA LEU 17 -13.178 -2.293 -7.635 138 1HB LEU 17 2HB LEU 17 -13.366 -2.099 -4.618 139 2HB LEU 17 1HB LEU 17 -14.687 -2.413 -5.726 140 HG LEU 17 HG LEU 17 -12.366 -4.269 -5.176 141 1HD1 LEU 17 1HD1 LEU 17 -14.048 -5.687 -4.127 142 2HD1 LEU 17 2HD1 LEU 17 -15.278 -4.458 -4.424 143 3HD1 LEU 17 3HD1 LEU 17 -13.942 -4.120 -3.323 144 1HD2 LEU 17 1HD2 LEU 17 -13.567 -5.871 -6.564 145 2HD2 LEU 17 2HD2 LEU 17 -13.155 -4.427 -7.489 146 3HD2 LEU 17 3HD2 LEU 17 -14.803 -4.660 -6.910 147 H GLN 18 H GLN 18 -11.099 -0.281 -6.223 148 HA GLN 18 HA GLN 18 -12.725 2.086 -6.861 149 1HB GLN 18 2HB GLN 18 -11.558 3.261 -4.939 150 2HB GLN 18 1HB GLN 18 -12.778 2.086 -4.485 151 1HG GLN 18 2HG GLN 18 -11.084 0.460 -3.956 152 2HG GLN 18 1HG GLN 18 -9.822 1.537 -4.547 153 1HE2 GLN 18 1HE2 GLN 18 -10.184 0.308 -1.924 154 2HE2 GLN 18 2HE2 GLN 18 -10.180 1.610 -0.795 155 H LYS 19 H LYS 19 -11.668 3.425 -8.222 156 HA LYS 19 HA LYS 19 -9.112 2.693 -9.186 157 1HB LYS 19 2HB LYS 19 -10.783 3.835 -10.590 158 2HB LYS 19 1HB LYS 19 -10.583 5.290 -9.622 159 1HG LYS 19 2HG LYS 19 -8.137 5.191 -10.235 160 2HG LYS 19 1HG LYS 19 -8.581 3.965 -11.417 161 1HD LYS 19 2HD LYS 19 -10.093 5.565 -12.500 162 2HD LYS 19 1HD LYS 19 -9.637 6.791 -11.313 163 1HE LYS 19 2HE LYS 19 -7.275 6.553 -12.069 164 2HE LYS 19 1HE LYS 19 -7.837 5.460 -13.332 165 1HZ LYS 19 1HZ LYS 19 -7.621 7.599 -14.283 166 2HZ LYS 19 2HZ LYS 19 -8.483 8.336 -13.027 167 3HZ LYS 19 3HZ LYS 19 -9.282 7.311 -14.119 168 H VAL 20 H VAL 20 -7.191 3.269 -8.571 169 HA VAL 20 HA VAL 20 -6.894 5.509 -6.679 170 HB VAL 20 HB VAL 20 -5.039 3.131 -6.869 171 1HG1 VAL 20 1HG1 VAL 20 -4.068 5.135 -5.893 172 2HG1 VAL 20 2HG1 VAL 20 -4.290 3.891 -4.662 173 3HG1 VAL 20 3HG1 VAL 20 -5.412 5.248 -4.755 174 1HG2 VAL 20 1HG2 VAL 20 -7.316 3.558 -4.935 175 2HG2 VAL 20 2HG2 VAL 20 -6.129 2.257 -4.861 176 3HG2 VAL 20 3HG2 VAL 20 -7.256 2.344 -6.214 177 H ASP 21 H ASP 21 -5.021 6.739 -6.875 178 HA ASP 21 HA ASP 21 -4.269 7.009 -9.697 179 1HB ASP 21 2HB ASP 21 -5.658 8.737 -8.497 180 2HB ASP 21 1HB ASP 21 -4.241 9.111 -7.542 181 H LEU 22 H LEU 22 -2.991 5.371 -7.595 182 HA LEU 22 HA LEU 22 -0.526 6.512 -6.822 183 1HB LEU 22 2HB LEU 22 -1.438 3.659 -7.105 184 2HB LEU 22 1HB LEU 22 0.152 4.090 -6.528 185 HG LEU 22 HG LEU 22 -2.465 4.792 -5.210 186 1HD1 LEU 22 1HD1 LEU 22 -1.904 2.465 -4.936 187 2HD1 LEU 22 2HD1 LEU 22 -1.619 3.316 -3.417 188 3HD1 LEU 22 3HD1 LEU 22 -0.260 2.882 -4.455 189 1HD2 LEU 22 1HD2 LEU 22 -0.812 6.569 -4.917 190 2HD2 LEU 22 2HD2 LEU 22 0.360 5.386 -4.338 191 3HD2 LEU 22 3HD2 LEU 22 -1.101 5.708 -3.406 192 H LYS 23 H LYS 23 1.564 5.126 -7.530 193 HA LYS 23 HA LYS 23 1.793 5.800 -10.345 194 1HB LYS 23 2HB LYS 23 3.793 5.482 -8.144 195 2HB LYS 23 1HB LYS 23 4.283 5.546 -9.827 196 1HG LYS 23 2HG LYS 23 3.120 7.755 -9.988 197 2HG LYS 23 1HG LYS 23 2.901 7.686 -8.239 198 1HD LYS 23 2HD LYS 23 4.850 8.946 -8.532 199 2HD LYS 23 1HD LYS 23 5.426 7.338 -8.109 200 1HE LYS 23 2HE LYS 23 5.248 8.447 -10.911 201 2HE LYS 23 1HE LYS 23 6.716 8.366 -9.943 202 1HZ LYS 23 1HZ LYS 23 6.228 5.872 -9.846 203 2HZ LYS 23 2HZ LYS 23 6.835 6.514 -11.291 204 3HZ LYS 23 3HZ LYS 23 5.185 6.155 -11.159 205 H GLU 24 H GLU 24 3.429 4.556 -11.598 206 HA GLU 24 HA GLU 24 2.756 1.776 -11.625 207 1HB GLU 24 2HB GLU 24 5.051 2.803 -13.213 208 2HB GLU 24 1HB GLU 24 3.737 1.748 -13.686 209 1HG GLU 24 2HG GLU 24 3.232 3.589 -14.919 210 2HG GLU 24 1HG GLU 24 2.301 3.923 -13.461 211 H GLY 25 H GLY 25 3.921 0.118 -10.832 212 1HA GLY 25 2HA GLY 25 5.694 -1.015 -9.863 213 2HA GLY 25 1HA GLY 25 6.710 0.394 -10.153 214 H GLU 26 H GLU 26 3.756 1.049 -8.586 215 HA GLU 26 HA GLU 26 5.075 1.912 -6.233 216 1HB GLU 26 2HB GLU 26 2.309 1.940 -7.238 217 2HB GLU 26 1HB GLU 26 2.457 1.863 -5.482 218 1HG GLU 26 2HG GLU 26 3.368 3.969 -7.374 219 2HG GLU 26 1HG GLU 26 2.382 4.126 -5.924 220 H ARG 27 H ARG 27 5.172 1.066 -4.232 221 HA ARG 27 HA ARG 27 5.310 -1.837 -4.331 222 1HB ARG 27 2HB ARG 27 6.836 0.209 -3.255 223 2HB ARG 27 1HB ARG 27 6.273 -0.710 -1.885 224 1HG ARG 27 2HG ARG 27 8.464 -1.465 -2.678 225 2HG ARG 27 1HG ARG 27 7.237 -2.725 -2.803 226 1HD ARG 27 2HD ARG 27 8.803 -2.514 -4.768 227 2HD ARG 27 1HD ARG 27 7.084 -2.481 -5.150 228 HE ARG 27 HE ARG 27 7.292 -0.295 -5.850 229 1HH1 ARG 27 1HH1 ARG 27 10.268 -1.266 -4.250 230 2HH1 ARG 27 2HH1 ARG 27 11.167 0.097 -4.857 231 1HH2 ARG 27 1HH2 ARG 27 8.485 1.469 -6.633 232 2HH2 ARG 27 2HH2 ARG 27 10.159 1.638 -6.214 233 H VAL 28 H VAL 28 3.604 -2.800 -3.850 234 HA VAL 28 HA VAL 28 2.198 -2.181 -1.336 235 HB VAL 28 HB VAL 28 0.063 -2.812 -2.429 236 1HG1 VAL 28 1HG1 VAL 28 0.610 -0.465 -2.205 237 2HG1 VAL 28 2HG1 VAL 28 -0.228 -0.746 -3.732 238 3HG1 VAL 28 3HG1 VAL 28 1.519 -0.511 -3.716 239 1HG2 VAL 28 1HG2 VAL 28 1.668 -2.730 -4.976 240 2HG2 VAL 28 2HG2 VAL 28 -0.081 -2.928 -4.857 241 3HG2 VAL 28 3HG2 VAL 28 0.994 -4.179 -4.232 242 H LYS 29 H LYS 29 1.266 -3.995 -0.248 243 HA LYS 29 HA LYS 29 1.903 -6.597 -1.420 244 1HB LYS 29 2HB LYS 29 2.293 -5.772 1.445 245 2HB LYS 29 1HB LYS 29 2.366 -7.420 0.871 246 1HG LYS 29 2HG LYS 29 4.199 -6.686 -0.689 247 2HG LYS 29 1HG LYS 29 4.212 -5.158 0.189 248 1HD LYS 29 2HD LYS 29 4.470 -6.680 2.288 249 2HD LYS 29 1HD LYS 29 5.001 -7.886 1.118 250 1HE LYS 29 2HE LYS 29 6.213 -5.174 1.621 251 2HE LYS 29 1HE LYS 29 6.932 -6.742 1.982 252 1HZ LYS 29 1HZ LYS 29 6.242 -5.871 -0.773 253 2HZ LYS 29 2HZ LYS 29 7.202 -7.198 -0.316 254 3HZ LYS 29 3HZ LYS 29 7.764 -5.618 -0.075 255 H ILE 30 H ILE 30 0.427 -8.136 -1.182 256 HA ILE 30 HA ILE 30 -2.256 -7.085 -0.537 257 HB ILE 30 HB ILE 30 -1.680 -9.483 -2.232 258 1HG1 ILE 30 2HG1 ILE 30 -1.863 -6.636 -3.210 259 2HG1 ILE 30 1HG1 ILE 30 -0.357 -7.533 -3.061 260 1HG2 ILE 30 1HG2 ILE 30 -3.966 -9.122 -1.495 261 2HG2 ILE 30 2HG2 ILE 30 -3.816 -8.916 -3.240 262 3HG2 ILE 30 3HG2 ILE 30 -3.936 -7.502 -2.192 263 1HD1 ILE 30 1HD1 ILE 30 -1.169 -7.482 -5.354 264 2HD1 ILE 30 2HD1 ILE 30 -2.666 -8.267 -4.847 265 3HD1 ILE 30 3HD1 ILE 30 -1.129 -9.125 -4.717 266 H LYS 31 H LYS 31 -3.639 -8.222 0.655 267 HA LYS 31 HA LYS 31 -2.891 -10.829 1.702 268 1HB LYS 31 2HB LYS 31 -3.894 -8.509 3.352 269 2HB LYS 31 1HB LYS 31 -3.709 -10.143 3.921 270 1HG LYS 31 2HG LYS 31 -1.832 -9.174 4.743 271 2HG LYS 31 1HG LYS 31 -1.231 -9.793 3.207 272 1HD LYS 31 2HD LYS 31 -1.422 -7.647 2.183 273 2HD LYS 31 1HD LYS 31 -2.272 -7.001 3.584 274 1HE LYS 31 2HE LYS 31 -0.249 -7.288 4.943 275 2HE LYS 31 1HE LYS 31 0.586 -7.977 3.549 276 1HZ LYS 31 1HZ LYS 31 0.355 -5.877 2.397 277 2HZ LYS 31 2HZ LYS 31 1.149 -5.638 3.868 278 3HZ LYS 31 3HZ LYS 31 -0.478 -5.213 3.703 279 H LEU 32 H LEU 32 -4.718 -12.011 2.441 280 HA LEU 32 HA LEU 32 -7.249 -11.246 1.224 281 1HB LEU 32 2HB LEU 32 -6.419 -13.685 2.790 282 2HB LEU 32 1HB LEU 32 -8.016 -13.445 2.129 283 HG LEU 32 HG LEU 32 -5.516 -13.567 0.451 284 1HD1 LEU 32 1HD1 LEU 32 -7.575 -15.700 0.973 285 2HD1 LEU 32 2HD1 LEU 32 -5.910 -15.704 1.555 286 3HD1 LEU 32 3HD1 LEU 32 -6.239 -15.799 -0.178 287 1HD2 LEU 32 1HD2 LEU 32 -7.103 -13.862 -1.386 288 2HD2 LEU 32 2HD2 LEU 32 -7.343 -12.323 -0.559 289 3HD2 LEU 32 3HD2 LEU 32 -8.442 -13.669 -0.256 290 H GLU 33 H GLU 33 -8.697 -10.098 2.356 291 HA GLU 33 HA GLU 33 -7.649 -9.333 4.957 292 1HB GLU 33 2HB GLU 33 -9.451 -7.982 3.016 293 2HB GLU 33 1HB GLU 33 -9.207 -7.375 4.633 294 1HG GLU 33 2HG GLU 33 -6.816 -7.999 3.011 295 2HG GLU 33 1HG GLU 33 -7.743 -6.557 2.613 296 H LEU 34 H LEU 34 -8.703 -9.128 6.748 297 HA LEU 34 HA LEU 34 -11.173 -10.652 7.066 298 1HB LEU 34 2HB LEU 34 -9.191 -9.817 9.165 299 2HB LEU 34 1HB LEU 34 -10.481 -10.989 9.332 300 HG LEU 34 HG LEU 34 -8.615 -12.281 9.173 301 1HD1 LEU 34 1HD1 LEU 34 -8.639 -13.426 7.022 302 2HD1 LEU 34 2HD1 LEU 34 -9.589 -12.097 6.358 303 3HD1 LEU 34 3HD1 LEU 34 -10.257 -13.103 7.642 304 1HD2 LEU 34 1HD2 LEU 34 -7.003 -10.550 8.642 305 2HD2 LEU 34 2HD2 LEU 34 -7.543 -10.562 6.964 306 3HD2 LEU 34 3HD2 LEU 34 -6.746 -11.980 7.645 307 H LYS 35 H LYS 35 -12.034 -9.787 9.448 308 HA LYS 35 HA LYS 35 -12.142 -6.844 9.390 309 1HB LYS 35 2HB LYS 35 -14.328 -7.810 8.762 310 2HB LYS 35 1HB LYS 35 -14.349 -8.739 10.249 311 1HG LYS 35 2HG LYS 35 -14.378 -6.627 11.522 312 2HG LYS 35 1HG LYS 35 -14.446 -5.744 9.993 313 1HD LYS 35 2HD LYS 35 -16.556 -6.808 9.439 314 2HD LYS 35 1HD LYS 35 -16.477 -7.777 10.912 315 1HE LYS 35 2HE LYS 35 -16.539 -5.705 12.243 316 2HE LYS 35 1HE LYS 35 -16.698 -4.775 10.754 317 1HZ LYS 35 1HZ LYS 35 -18.823 -5.240 11.951 318 2HZ LYS 35 2HZ LYS 35 -18.626 -6.880 11.571 319 3HZ LYS 35 3HZ LYS 35 -18.812 -5.739 10.330 320 H VAL 36 H VAL 36 -12.613 -6.001 11.681 321 HA VAL 36 HA VAL 36 -10.655 -7.072 13.419 322 HB VAL 36 HB VAL 36 -11.017 -4.784 13.651 323 1HG1 VAL 36 1HG1 VAL 36 -13.932 -5.355 14.155 324 2HG1 VAL 36 2HG1 VAL 36 -13.238 -4.598 12.720 325 3HG1 VAL 36 3HG1 VAL 36 -13.174 -3.766 14.274 326 1HG2 VAL 36 1HG2 VAL 36 -11.633 -4.471 16.005 327 2HG2 VAL 36 2HG2 VAL 36 -10.557 -5.847 15.763 328 3HG2 VAL 36 3HG2 VAL 36 -12.279 -6.113 16.037 329 H GLU 37 H GLU 37 -10.727 -8.581 14.877 330 HA GLU 37 HA GLU 37 -13.259 -9.969 15.308 331 1HB GLU 37 2HB GLU 37 -10.398 -10.869 15.661 332 2HB GLU 37 1HB GLU 37 -11.814 -11.860 15.915 333 1HG GLU 37 2HG GLU 37 -12.424 -11.534 13.538 334 2HG GLU 37 1HG GLU 37 -10.908 -10.662 13.321 335 HA PRO 38 HA PRO 38 -13.129 -8.926 19.643 336 1HB PRO 38 2HB PRO 38 -14.681 -11.310 20.232 337 2HB PRO 38 1HB PRO 38 -15.196 -9.623 20.265 338 1HG PRO 38 2HG PRO 38 -16.090 -11.422 18.428 339 2HG PRO 38 1HG PRO 38 -15.965 -9.682 18.108 340 1HD PRO 38 2HD PRO 38 -14.113 -11.898 17.313 341 2HD PRO 38 1HD PRO 38 -14.648 -10.485 16.381 342 H ILE 39 H ILE 39 -13.186 -10.606 21.768 343 HA ILE 39 HA ILE 39 -10.534 -11.622 21.805 344 HB ILE 39 HB ILE 39 -11.413 -12.612 24.096 345 1HG1 ILE 39 2HG1 ILE 39 -13.091 -11.014 25.081 346 2HG1 ILE 39 1HG1 ILE 39 -13.431 -10.458 23.454 347 1HG2 ILE 39 1HG2 ILE 39 -9.684 -10.941 23.835 348 2HG2 ILE 39 2HG2 ILE 39 -10.771 -10.510 25.157 349 3HG2 ILE 39 3HG2 ILE 39 -10.906 -9.693 23.598 350 1HD1 ILE 39 1HD1 ILE 39 -13.838 -13.251 24.487 351 2HD1 ILE 39 2HD1 ILE 39 -14.178 -12.704 22.844 352 3HD1 ILE 39 3HD1 ILE 39 -15.097 -12.047 24.201 353 H ASP 40 H ASP 40 -9.772 -13.688 21.936 354 HA ASP 40 HA ASP 40 -11.717 -15.853 21.448 355 1HB ASP 40 2HB ASP 40 -10.509 -15.230 19.368 356 2HB ASP 40 1HB ASP 40 -8.982 -15.572 20.171 357 H LEU 41 H LEU 41 -9.309 -14.616 23.386 358 HA LEU 41 HA LEU 41 -8.420 -17.253 24.293 359 1HB LEU 41 2HB LEU 41 -6.648 -15.905 25.520 360 2HB LEU 41 1HB LEU 41 -6.530 -15.988 23.775 361 HG LEU 41 HG LEU 41 -7.697 -13.704 23.750 362 1HD1 LEU 41 1HD1 LEU 41 -8.516 -13.661 26.022 363 2HD1 LEU 41 2HD1 LEU 41 -7.371 -12.343 25.772 364 3HD1 LEU 41 3HD1 LEU 41 -6.873 -13.791 26.649 365 1HD2 LEU 41 1HD2 LEU 41 -5.341 -14.040 23.223 366 2HD2 LEU 41 2HD2 LEU 41 -4.934 -13.940 24.936 367 3HD2 LEU 41 3HD2 LEU 41 -5.592 -12.531 24.102 368 H GLY 42 H GLY 42 -7.671 -16.910 26.809 369 1HA GLY 42 2HA GLY 42 -9.795 -15.646 28.333 370 2HA GLY 42 1HA GLY 42 -9.692 -17.402 28.440 371 H GLU 43 H GLU 43 -9.016 -14.881 30.177 372 HA GLU 43 HA GLU 43 -6.253 -15.271 30.811 373 1HB GLU 43 2HB GLU 43 -8.376 -13.682 32.240 374 2HB GLU 43 1HB GLU 43 -6.652 -13.596 32.550 375 1HG GLU 43 2HG GLU 43 -6.316 -12.818 30.226 376 2HG GLU 43 1HG GLU 43 -8.067 -12.794 30.022 377 HA PRO 44 HA PRO 44 -6.765 -18.594 33.674 378 1HB PRO 44 2HB PRO 44 -4.225 -17.709 34.868 379 2HB PRO 44 1HB PRO 44 -4.606 -19.217 34.031 380 1HG PRO 44 2HG PRO 44 -3.036 -17.340 32.922 381 2HG PRO 44 1HG PRO 44 -4.140 -18.333 31.950 382 1HD PRO 44 2HD PRO 44 -4.480 -15.513 32.914 383 2HD PRO 44 1HD PRO 44 -4.857 -16.212 31.326 384 H VAL 45 H VAL 45 -6.734 -19.058 35.984 385 HA VAL 45 HA VAL 45 -7.972 -16.888 37.461 386 HB VAL 45 HB VAL 45 -7.508 -19.692 38.471 387 1HG1 VAL 45 1HG1 VAL 45 -9.538 -19.283 39.766 388 2HG1 VAL 45 2HG1 VAL 45 -9.659 -17.669 39.065 389 3HG1 VAL 45 3HG1 VAL 45 -8.297 -18.078 40.106 390 1HG2 VAL 45 1HG2 VAL 45 -9.768 -18.747 36.713 391 2HG2 VAL 45 2HG2 VAL 45 -9.719 -20.298 37.553 392 3HG2 VAL 45 3HG2 VAL 45 -8.535 -19.938 36.295 393 H SER 46 H SER 46 -7.318 -16.419 39.694 394 HA SER 46 HA SER 46 -4.443 -16.203 39.900 395 1HB SER 46 2HB SER 46 -6.570 -15.201 41.801 396 2HB SER 46 1HB SER 46 -4.898 -14.670 41.702 397 HG SER 46 HG SER 46 -5.515 -14.110 39.419 398 H VAL 47 H VAL 47 -3.467 -16.536 42.117 399 HA VAL 47 HA VAL 47 -3.711 -19.272 42.809 400 HB VAL 47 HB VAL 47 -1.555 -18.234 42.928 401 1HG1 VAL 47 1HG1 VAL 47 -2.689 -16.407 45.035 402 2HG1 VAL 47 2HG1 VAL 47 -2.229 -15.951 43.393 403 3HG1 VAL 47 3HG1 VAL 47 -1.000 -16.488 44.539 404 1HG2 VAL 47 1HG2 VAL 47 -1.904 -20.040 44.500 405 2HG2 VAL 47 2HG2 VAL 47 -2.539 -18.910 45.697 406 3HG2 VAL 47 3HG2 VAL 47 -0.845 -18.822 45.212 407 H GLU 48 H GLU 48 -4.683 -20.260 44.459 408 HA GLU 48 HA GLU 48 -6.781 -18.794 45.803 409 1HB GLU 48 2HB GLU 48 -7.536 -21.075 46.482 410 2HB GLU 48 1HB GLU 48 -7.374 -20.875 44.741 411 1HG GLU 48 2HG GLU 48 -5.187 -21.989 44.832 412 2HG GLU 48 1HG GLU 48 -5.384 -22.207 46.566 413 H GLU 49 H GLU 49 -3.831 -20.437 46.612 414 HA GLU 49 HA GLU 49 -4.384 -20.957 49.327 415 1HB GLU 49 2HB GLU 49 -1.720 -20.733 47.933 416 2HB GLU 49 1HB GLU 49 -1.988 -21.454 49.516 417 1HG GLU 49 2HG GLU 49 -3.359 -23.187 48.532 418 2HG GLU 49 1HG GLU 49 -3.201 -22.443 46.942 419 H ILE 50 H ILE 50 -3.301 -18.125 47.742 420 HA ILE 50 HA ILE 50 -1.833 -17.042 49.951 421 HB ILE 50 HB ILE 50 -1.388 -16.511 47.521 422 1HG1 ILE 50 2HG1 ILE 50 -1.830 -14.139 49.346 423 2HG1 ILE 50 1HG1 ILE 50 -0.422 -15.191 49.379 424 1HG2 ILE 50 1HG2 ILE 50 -3.812 -14.747 47.868 425 2HG2 ILE 50 2HG2 ILE 50 -3.682 -16.144 46.800 426 3HG2 ILE 50 3HG2 ILE 50 -2.703 -14.710 46.496 427 1HD1 ILE 50 1HD1 ILE 50 0.036 -13.104 48.225 428 2HD1 ILE 50 2HD1 ILE 50 -1.259 -13.451 47.079 429 3HD1 ILE 50 3HD1 ILE 50 0.169 -14.484 47.133 430 H LYS 51 H LYS 51 -5.101 -17.351 49.379 431 HA LYS 51 HA LYS 51 -5.841 -14.767 50.488 432 1HB LYS 51 2HB LYS 51 -7.102 -15.967 48.599 433 2HB LYS 51 1HB LYS 51 -7.754 -17.001 49.865 434 1HG LYS 51 2HG LYS 51 -8.340 -14.681 50.975 435 2HG LYS 51 1HG LYS 51 -8.270 -14.136 49.301 436 1HD LYS 51 2HD LYS 51 -10.541 -14.719 49.787 437 2HD LYS 51 1HD LYS 51 -9.883 -15.968 48.728 438 1HE LYS 51 2HE LYS 51 -11.230 -16.851 50.636 439 2HE LYS 51 1HE LYS 51 -9.579 -17.466 50.566 440 1HZ LYS 51 1HZ LYS 51 -8.928 -16.021 52.314 441 2HZ LYS 51 2HZ LYS 51 -10.349 -16.786 52.824 442 3HZ LYS 51 3HZ LYS 51 -10.401 -15.184 52.276 443 H LYS 52 H LYS 52 -4.920 -17.629 51.724 444 HA LYS 52 HA LYS 52 -4.929 -18.619 53.739 445 1HB LYS 52 2HB LYS 52 -4.574 -16.229 54.417 446 2HB LYS 52 1HB LYS 52 -6.299 -16.127 54.706 447 1HG LYS 52 2HG LYS 52 -5.157 -16.490 56.795 448 2HG LYS 52 1HG LYS 52 -6.081 -17.940 56.385 449 1HD LYS 52 2HD LYS 52 -3.913 -18.616 57.153 450 2HD LYS 52 1HD LYS 52 -4.003 -18.911 55.421 451 1HE LYS 52 2HE LYS 52 -2.814 -16.789 55.026 452 2HE LYS 52 1HE LYS 52 -2.672 -16.567 56.770 453 1HZ LYS 52 1HZ LYS 52 -0.651 -17.496 55.887 454 2HZ LYS 52 2HZ LYS 52 -1.500 -18.786 55.177 455 3HZ LYS 52 3HZ LYS 52 -1.415 -18.654 56.868 456 H ILE 53 H ILE 53 -6.313 -19.735 55.291 457 HA ILE 53 HA ILE 53 -8.766 -20.594 54.253 458 HB ILE 53 HB ILE 53 -7.157 -21.884 55.706 459 1HG1 ILE 53 2HG1 ILE 53 -10.018 -21.743 56.589 460 2HG1 ILE 53 1HG1 ILE 53 -9.410 -22.656 55.218 461 1HG2 ILE 53 1HG2 ILE 53 -7.403 -21.665 58.148 462 2HG2 ILE 53 2HG2 ILE 53 -8.422 -20.246 57.904 463 3HG2 ILE 53 3HG2 ILE 53 -6.729 -20.211 57.410 464 1HD1 ILE 53 1HD1 ILE 53 -8.720 -23.150 58.108 465 2HD1 ILE 53 2HD1 ILE 53 -8.129 -24.075 56.728 466 3HD1 ILE 53 3HD1 ILE 53 -9.845 -24.095 57.133 467 H ARG 54 H ARG 54 -10.835 -20.557 55.593 468 HA ARG 54 HA ARG 54 -11.589 -17.836 56.024 469 1HB ARG 54 2HB ARG 54 -13.164 -20.331 56.674 470 2HB ARG 54 1HB ARG 54 -13.808 -18.707 56.477 471 1HG ARG 54 2HG ARG 54 -13.089 -18.756 54.112 472 2HG ARG 54 1HG ARG 54 -12.581 -20.433 54.338 473 1HD ARG 54 2HD ARG 54 -14.929 -20.920 55.099 474 2HD ARG 54 1HD ARG 54 -15.359 -19.299 54.556 475 HE ARG 54 HE ARG 54 -14.091 -21.104 52.642 476 1HH1 ARG 54 1HH1 ARG 54 -16.991 -19.489 53.779 477 2HH1 ARG 54 2HH1 ARG 54 -17.872 -19.776 52.300 478 1HH2 ARG 54 1HH2 ARG 54 -15.253 -21.458 50.709 479 2HH2 ARG 54 2HH2 ARG 54 -16.889 -20.902 50.570 480 H ASP 55 H ASP 55 -11.935 -20.631 58.205 481 HA ASP 55 HA ASP 55 -11.080 -18.911 60.421 482 1HB ASP 55 2HB ASP 55 -12.902 -19.543 61.822 483 2HB ASP 55 1HB ASP 55 -13.602 -19.001 60.302 484 H GLY 56 H GLY 56 -11.047 -20.484 62.511 485 1HA GLY 56 2HA GLY 56 -10.051 -22.371 63.448 486 2HA GLY 56 1HA GLY 56 -9.918 -23.064 61.835 487 H THR 57 H THR 57 -8.810 -19.868 62.500 488 HA THR 57 HA THR 57 -6.056 -20.724 62.003 489 HB THR 57 HB THR 57 -7.001 -18.991 60.510 490 HG1 THR 57 HG1 THR 57 -4.841 -18.772 60.645 491 1HG2 THR 57 1HG2 THR 57 -7.388 -16.714 61.377 492 2HG2 THR 57 2HG2 THR 57 -7.180 -17.323 63.020 493 3HG2 THR 57 3HG2 THR 57 -8.528 -17.889 62.033 494 H TRP 58 H TRP 58 -4.710 -18.557 63.145 495 HA TRP 58 HA TRP 58 -4.529 -19.417 65.824 496 1HB TRP 58 2HB TRP 58 -3.285 -17.069 64.384 497 2HB TRP 58 1HB TRP 58 -2.804 -17.678 65.948 498 HD1 TRP 58 HD1 TRP 58 -2.080 -18.061 62.357 499 HE1 TRP 58 HE1 TRP 58 -0.488 -20.044 61.956 500 HE3 TRP 58 HE3 TRP 58 -2.359 -20.259 66.966 501 HZ2 TRP 58 HZ2 TRP 58 0.507 -22.255 63.409 502 HZ3 TRP 58 HZ3 TRP 58 -1.058 -22.305 67.378 503 HH2 TRP 58 HH2 TRP 58 0.343 -23.281 65.633 504 H MET 59 H MET 59 -4.634 -17.987 67.677 505 HA MET 59 HA MET 59 -6.492 -15.729 67.406 506 1HB MET 59 2HB MET 59 -7.796 -17.596 68.267 507 2HB MET 59 1HB MET 59 -6.591 -17.909 69.505 508 1HG MET 59 2HG MET 59 -8.539 -16.784 70.419 509 2HG MET 59 1HG MET 59 -7.095 -15.779 70.563 510 1HE MET 59 1HE MET 59 -10.408 -15.110 67.406 511 2HE MET 59 2HE MET 59 -10.454 -16.390 68.625 512 3HE MET 59 3HE MET 59 -9.262 -16.445 67.329 513 H SER 60 H SER 60 -5.794 -13.941 68.378 514 HA SER 60 HA SER 60 -3.331 -14.102 69.928 515 1HB SER 60 2HB SER 60 -3.378 -12.495 68.080 516 2HB SER 60 1HB SER 60 -4.792 -11.707 68.779 517 HG SER 60 HG SER 60 -2.271 -11.929 70.087 518 H SER 61 H SER 61 -3.128 -13.345 72.005 519 HA SER 61 HA SER 61 -5.576 -13.223 73.548 520 1HB SER 61 2HB SER 61 -3.947 -13.087 75.487 521 2HB SER 61 1HB SER 61 -3.821 -14.544 74.498 522 HG SER 61 HG SER 61 -1.839 -13.174 75.113 523 H LEU 62 H LEU 62 -4.076 -11.073 71.734 524 HA LEU 62 HA LEU 62 -3.993 -8.850 71.523 525 1HB LEU 62 2HB LEU 62 -5.865 -8.840 73.880 526 2HB LEU 62 1HB LEU 62 -5.545 -7.504 72.801 527 HG LEU 62 HG LEU 62 -6.840 -10.098 71.985 528 1HD1 LEU 62 1HD1 LEU 62 -8.027 -7.370 72.448 529 2HD1 LEU 62 2HD1 LEU 62 -8.297 -8.810 73.428 530 3HD1 LEU 62 3HD1 LEU 62 -8.878 -8.755 71.764 531 1HD2 LEU 62 1HD2 LEU 62 -7.313 -8.947 69.886 532 2HD2 LEU 62 2HD2 LEU 62 -5.577 -9.051 70.175 533 3HD2 LEU 62 3HD2 LEU 62 -6.429 -7.531 70.454 534 H GLU 63 H GLU 63 -2.020 -8.104 71.935 535 HA GLU 63 HA GLU 63 -0.810 -8.210 74.500 536 1HB GLU 63 2HB GLU 63 0.455 -8.136 72.329 537 2HB GLU 63 1HB GLU 63 0.015 -6.437 72.197 538 1HG GLU 63 2HG GLU 63 1.059 -6.549 74.712 539 2HG GLU 63 1HG GLU 63 2.041 -7.737 73.859 540 H HIS 64 H HIS 64 -1.832 -7.142 76.073 541 HA HIS 64 HA HIS 64 -2.661 -4.395 75.716 542 1HB HIS 64 2HB HIS 64 -2.480 -6.069 78.240 543 2HB HIS 64 1HB HIS 64 -3.237 -4.484 78.114 544 HD1 HIS 64 HD1 HIS 64 -3.883 -8.057 77.716 545 HD2 HIS 64 HD2 HIS 64 -5.649 -4.494 76.493 546 HE1 HIS 64 HE1 HIS 64 -6.209 -8.672 76.982 547 HE2 HIS 64 HE2 HIS 64 -7.261 -6.513 76.213 548 H HIS 65 H HIS 65 -1.568 -2.591 76.543 549 HA HIS 65 HA HIS 65 1.251 -2.817 76.374 550 1HB HIS 65 2HB HIS 65 -0.181 -0.786 75.784 551 2HB HIS 65 1HB HIS 65 -0.229 -0.443 77.511 552 HD1 HIS 65 HD1 HIS 65 2.282 -0.839 74.701 553 HD2 HIS 65 HD2 HIS 65 1.946 0.962 78.440 554 HE1 HIS 65 HE1 HIS 65 4.364 0.549 74.979 555 HE2 HIS 65 HE2 HIS 65 4.069 1.752 77.171 556 H HIS 66 H HIS 66 2.420 -3.806 77.878 557 HA HIS 66 HA HIS 66 1.580 -4.201 80.525 558 1HB HIS 66 2HB HIS 66 3.686 -5.234 80.928 559 2HB HIS 66 1HB HIS 66 3.250 -5.614 79.269 560 HD1 HIS 66 HD1 HIS 66 6.027 -4.615 81.224 561 HD2 HIS 66 HD2 HIS 66 4.664 -3.665 77.408 562 HE1 HIS 66 HE1 HIS 66 8.016 -3.675 80.005 563 HE2 HIS 66 HE2 HIS 66 7.136 -2.968 77.754 564 H HIS 67 H HIS 67 2.094 -3.250 82.431 565 HA HIS 67 HA HIS 67 3.693 -0.844 82.492 566 1HB HIS 67 2HB HIS 67 1.813 0.515 83.444 567 2HB HIS 67 1HB HIS 67 1.598 0.105 81.749 568 HD1 HIS 67 HD1 HIS 67 -0.248 0.268 84.775 569 HD2 HIS 67 HD2 HIS 67 -0.152 -2.371 81.559 570 HE1 HIS 67 HE1 HIS 67 -2.420 -0.995 84.863 571 HE2 HIS 67 HE2 HIS 67 -2.205 -2.765 83.078 572 H HIS 68 H HIS 68 4.326 -0.285 84.581 573 HA HIS 68 HA HIS 68 3.867 -2.401 86.548 574 1HB HIS 68 2HB HIS 68 5.883 -1.489 87.702 575 2HB HIS 68 1HB HIS 68 6.200 -2.070 86.075 576 HD1 HIS 68 HD1 HIS 68 6.771 0.747 88.250 577 HD2 HIS 68 HD2 HIS 68 6.373 0.181 84.144 578 HE1 HIS 68 HE1 HIS 68 7.775 2.792 87.173 579 HE2 HIS 68 HE2 HIS 68 7.630 2.377 84.689 580 H HIS 69 H HIS 69 2.237 0.105 85.861 581 HA HIS 69 HA HIS 69 1.441 0.594 88.589 582 1HB HIS 69 2HB HIS 69 3.130 2.365 88.200 583 2HB HIS 69 1HB HIS 69 2.222 2.904 86.791 584 HD1 HIS 69 HD1 HIS 69 0.458 4.620 87.190 585 HD2 HIS 69 HD2 HIS 69 1.639 2.709 90.695 586 HE1 HIS 69 HE1 HIS 69 -0.724 5.828 89.058 587 HE2 HIS 69 HE2 HIS 69 -0.146 4.530 91.146 588 1H MET 1 1H MET 1 0.453 -19.128 10.557 589 2H MET 1 2H MET 1 0.501 -19.836 9.018 590 3H MET 1 3H MET 1 -0.897 -19.020 9.541 591 HA MET 1 HA MET 1 0.267 -16.935 9.577 592 1HB MET 1 2HB MET 1 2.595 -18.611 8.620 593 2HB MET 1 1HB MET 1 2.559 -16.856 8.531 594 1HG MET 1 2HG MET 1 2.381 -16.732 10.957 595 2HG MET 1 1HG MET 1 2.392 -18.492 11.050 596 1HE MET 1 1HE MET 1 4.567 -19.193 8.762 597 2HE MET 1 2HE MET 1 4.467 -19.987 10.334 598 3HE MET 1 3HE MET 1 6.008 -19.342 9.774 599 HA PRO 2 HA PRO 2 -1.202 -17.195 5.318 600 1HB PRO 2 2HB PRO 2 -2.355 -14.595 5.693 601 2HB PRO 2 1HB PRO 2 -3.189 -16.145 5.591 602 1HG PRO 2 2HG PRO 2 -3.056 -14.585 7.864 603 2HG PRO 2 1HG PRO 2 -3.373 -16.329 7.854 604 1HD PRO 2 2HD PRO 2 -0.822 -14.866 8.409 605 2HD PRO 2 1HD PRO 2 -1.484 -16.322 9.188 606 H LYS 3 H LYS 3 0.458 -16.815 3.939 607 HA LYS 3 HA LYS 3 2.287 -14.660 4.310 608 1HB LYS 3 2HB LYS 3 3.301 -15.367 2.211 609 2HB LYS 3 1HB LYS 3 2.981 -16.757 3.240 610 1HG LYS 3 2HG LYS 3 1.394 -17.588 1.857 611 2HG LYS 3 1HG LYS 3 0.904 -16.000 1.274 612 1HD LYS 3 2HD LYS 3 2.016 -17.341 -0.466 613 2HD LYS 3 1HD LYS 3 2.885 -15.853 -0.095 614 1HE LYS 3 2HE LYS 3 4.458 -17.101 1.285 615 2HE LYS 3 1HE LYS 3 3.571 -18.592 0.970 616 1HZ LYS 3 1HZ LYS 3 5.528 -18.383 -0.446 617 2HZ LYS 3 2HZ LYS 3 4.921 -16.943 -1.099 618 3HZ LYS 3 3HZ LYS 3 4.105 -18.401 -1.365 619 H ILE 4 H ILE 4 2.659 -12.893 2.952 620 HA ILE 4 HA ILE 4 0.250 -11.883 1.686 621 HB ILE 4 HB ILE 4 1.204 -9.692 1.963 622 1HG1 ILE 4 2HG1 ILE 4 3.635 -10.737 1.834 623 2HG1 ILE 4 1HG1 ILE 4 3.333 -9.213 2.639 624 1HG2 ILE 4 1HG2 ILE 4 -0.094 -10.605 3.789 625 2HG2 ILE 4 2HG2 ILE 4 1.199 -9.579 4.414 626 3HG2 ILE 4 3HG2 ILE 4 1.357 -11.335 4.472 627 1HD1 ILE 4 1HD1 ILE 4 3.185 -10.438 4.788 628 2HD1 ILE 4 2HD1 ILE 4 4.770 -10.512 4.014 629 3HD1 ILE 4 3HD1 ILE 4 3.683 -11.896 3.932 630 H ILE 5 H ILE 5 0.280 -11.114 -0.392 631 HA ILE 5 HA ILE 5 2.461 -12.091 -2.053 632 HB ILE 5 HB ILE 5 0.039 -10.602 -3.047 633 1HG1 ILE 5 2HG1 ILE 5 0.266 -13.565 -2.486 634 2HG1 ILE 5 1HG1 ILE 5 -0.736 -12.430 -1.593 635 1HG2 ILE 5 1HG2 ILE 5 0.418 -11.951 -5.064 636 2HG2 ILE 5 2HG2 ILE 5 1.826 -12.685 -4.297 637 3HG2 ILE 5 3HG2 ILE 5 1.817 -10.958 -4.661 638 1HD1 ILE 5 1HD1 ILE 5 -2.055 -13.721 -3.155 639 2HD1 ILE 5 2HD1 ILE 5 -1.049 -13.161 -4.492 640 3HD1 ILE 5 3HD1 ILE 5 -2.051 -12.015 -3.600 641 H GLU 6 H GLU 6 3.601 -10.716 -3.539 642 HA GLU 6 HA GLU 6 3.679 -7.924 -2.655 643 1HB GLU 6 2HB GLU 6 5.895 -9.646 -3.784 644 2HB GLU 6 1HB GLU 6 6.044 -7.952 -3.351 645 1HG GLU 6 2HG GLU 6 5.513 -8.517 -1.013 646 2HG GLU 6 1HG GLU 6 5.448 -10.219 -1.463 647 H ALA 7 H ALA 7 2.991 -6.566 -4.141 648 HA ALA 7 HA ALA 7 3.191 -7.326 -6.973 649 1HB ALA 7 1HB ALA 7 0.894 -6.575 -7.337 650 2HB ALA 7 2HB ALA 7 0.714 -6.259 -5.613 651 3HB ALA 7 3HB ALA 7 0.945 -7.912 -6.185 652 H VAL 8 H VAL 8 2.856 -5.485 -8.414 653 HA VAL 8 HA VAL 8 3.292 -2.887 -7.151 654 HB VAL 8 HB VAL 8 4.528 -2.309 -9.286 655 1HG1 VAL 8 1HG1 VAL 8 5.760 -4.329 -7.420 656 2HG1 VAL 8 2HG1 VAL 8 5.671 -2.586 -7.155 657 3HG1 VAL 8 3HG1 VAL 8 6.650 -3.229 -8.474 658 1HG2 VAL 8 1HG2 VAL 8 5.599 -4.156 -10.482 659 2HG2 VAL 8 2HG2 VAL 8 3.844 -4.205 -10.638 660 3HG2 VAL 8 3HG2 VAL 8 4.663 -5.306 -9.528 661 H TYR 9 H TYR 9 1.906 -1.371 -7.703 662 HA TYR 9 HA TYR 9 -0.255 -1.689 -9.572 663 1HB TYR 9 2HB TYR 9 0.354 0.027 -7.521 664 2HB TYR 9 1HB TYR 9 0.788 1.030 -8.893 665 HD1 TYR 9 HD1 TYR 9 -2.072 -1.287 -8.174 666 HD2 TYR 9 HD2 TYR 9 -0.813 2.623 -9.276 667 HE1 TYR 9 HE1 TYR 9 -4.423 -0.572 -8.308 668 HE2 TYR 9 HE2 TYR 9 -3.155 3.348 -9.416 669 HH TYR 9 HH TYR 9 -5.340 2.426 -9.712 670 H GLU 10 H GLU 10 0.260 -2.126 -11.565 671 HA GLU 10 HA GLU 10 2.432 -0.627 -12.865 672 1HB GLU 10 2HB GLU 10 2.171 -3.361 -12.346 673 2HB GLU 10 1HB GLU 10 1.880 -3.182 -14.057 674 1HG GLU 10 2HG GLU 10 4.282 -2.008 -12.707 675 2HG GLU 10 1HG GLU 10 4.255 -3.652 -13.347 676 H ASN 11 H ASN 11 1.781 0.523 -14.434 677 HA ASN 11 HA ASN 11 0.476 1.486 -16.023 678 1HB ASN 11 2HB ASN 11 0.363 -1.423 -16.663 679 2HB ASN 11 1HB ASN 11 -0.552 -0.273 -17.630 680 1HD2 ASN 11 1HD2 ASN 11 2.620 -1.378 -16.712 681 2HD2 ASN 11 2HD2 ASN 11 3.481 -0.557 -17.958 682 H GLY 12 H GLY 12 -0.876 1.190 -13.536 683 1HA GLY 12 2HA GLY 12 -3.320 1.705 -13.445 684 2HA GLY 12 1HA GLY 12 -3.525 0.320 -14.505 685 H VAL 13 H VAL 13 -2.150 -1.622 -13.474 686 HA VAL 13 HA VAL 13 -4.181 -2.123 -11.379 687 HB VAL 13 HB VAL 13 -4.174 -4.448 -12.188 688 1HG1 VAL 13 1HG1 VAL 13 -5.763 -2.807 -13.101 689 2HG1 VAL 13 2HG1 VAL 13 -5.324 -4.032 -14.291 690 3HG1 VAL 13 3HG1 VAL 13 -4.606 -2.424 -14.377 691 1HG2 VAL 13 1HG2 VAL 13 -1.908 -4.611 -13.038 692 2HG2 VAL 13 2HG2 VAL 13 -2.250 -3.393 -14.267 693 3HG2 VAL 13 3HG2 VAL 13 -3.048 -4.965 -14.337 694 H PHE 14 H PHE 14 -3.697 -4.109 -9.981 695 HA PHE 14 HA PHE 14 -0.972 -3.908 -8.999 696 1HB PHE 14 2HB PHE 14 -3.343 -5.504 -8.020 697 2HB PHE 14 1HB PHE 14 -1.770 -5.487 -7.243 698 HD1 PHE 14 HD1 PHE 14 -4.948 -3.876 -7.544 699 HD2 PHE 14 HD2 PHE 14 -0.907 -3.297 -6.341 700 HE1 PHE 14 HE1 PHE 14 -5.627 -1.922 -6.213 701 HE2 PHE 14 HE2 PHE 14 -1.579 -1.344 -5.006 702 HZ PHE 14 HZ PHE 14 -3.937 -0.655 -4.940 703 H LYS 15 H LYS 15 0.534 -5.097 -9.903 704 HA LYS 15 HA LYS 15 -0.172 -7.739 -10.963 705 1HB LYS 15 2HB LYS 15 1.803 -5.668 -11.865 706 2HB LYS 15 1HB LYS 15 1.926 -7.344 -12.375 707 1HG LYS 15 2HG LYS 15 -0.070 -7.254 -13.571 708 2HG LYS 15 1HG LYS 15 -0.611 -5.798 -12.733 709 1HD LYS 15 2HD LYS 15 0.124 -5.385 -15.071 710 2HD LYS 15 1HD LYS 15 1.035 -4.465 -13.872 711 1HE LYS 15 2HE LYS 15 2.871 -6.004 -14.020 712 2HE LYS 15 1HE LYS 15 1.959 -7.056 -15.103 713 1HZ LYS 15 1HZ LYS 15 3.429 -5.768 -16.430 714 2HZ LYS 15 2HZ LYS 15 2.973 -4.321 -15.677 715 3HZ LYS 15 3HZ LYS 15 1.875 -5.134 -16.681 716 HA PRO 16 HA PRO 16 2.332 -8.927 -7.482 717 1HB PRO 16 2HB PRO 16 2.145 -11.626 -7.989 718 2HB PRO 16 1HB PRO 16 0.988 -10.698 -7.035 719 1HG PRO 16 2HG PRO 16 0.805 -11.630 -9.858 720 2HG PRO 16 1HG PRO 16 -0.476 -11.449 -8.648 721 1HD PRO 16 2HD PRO 16 -0.080 -9.688 -10.679 722 2HD PRO 16 1HD PRO 16 -0.769 -9.226 -9.112 723 H LEU 17 H LEU 17 4.168 -10.142 -7.163 724 HA LEU 17 HA LEU 17 5.820 -10.657 -9.532 725 1HB LEU 17 2HB LEU 17 6.799 -9.473 -6.932 726 2HB LEU 17 1HB LEU 17 7.670 -9.573 -8.457 727 HG LEU 17 HG LEU 17 5.164 -7.938 -8.085 728 1HD1 LEU 17 1HD1 LEU 17 6.899 -7.042 -6.644 729 2HD1 LEU 17 2HD1 LEU 17 6.575 -5.976 -8.011 730 3HD1 LEU 17 3HD1 LEU 17 8.018 -6.993 -8.008 731 1HD2 LEU 17 1HD2 LEU 17 7.254 -7.972 -10.244 732 2HD2 LEU 17 2HD2 LEU 17 5.880 -6.871 -10.155 733 3HD2 LEU 17 3HD2 LEU 17 5.612 -8.602 -10.360 734 H GLN 18 H GLN 18 4.759 -11.428 -6.379 735 HA GLN 18 HA GLN 18 6.256 -13.935 -6.352 736 1HB GLN 18 2HB GLN 18 6.094 -12.746 -4.224 737 2HB GLN 18 1HB GLN 18 4.343 -12.679 -4.362 738 1HG GLN 18 2HG GLN 18 4.233 -15.107 -4.191 739 2HG GLN 18 1HG GLN 18 5.986 -15.172 -4.077 740 1HE2 GLN 18 1HE2 GLN 18 4.106 -12.679 -2.565 741 2HE2 GLN 18 2HE2 GLN 18 4.353 -13.182 -0.933 742 H LYS 19 H LYS 19 5.183 -15.909 -6.582 743 HA LYS 19 HA LYS 19 2.926 -15.929 -8.270 744 1HB LYS 19 2HB LYS 19 4.121 -18.151 -6.609 745 2HB LYS 19 1HB LYS 19 2.902 -18.379 -7.851 746 1HG LYS 19 2HG LYS 19 4.462 -17.526 -9.526 747 2HG LYS 19 1HG LYS 19 5.687 -17.334 -8.269 748 1HD LYS 19 2HD LYS 19 5.508 -19.752 -7.789 749 2HD LYS 19 1HD LYS 19 4.382 -19.908 -9.135 750 1HE LYS 19 2HE LYS 19 6.096 -19.143 -10.680 751 2HE LYS 19 1HE LYS 19 7.228 -18.932 -9.345 752 1HZ LYS 19 1HZ LYS 19 6.002 -21.503 -10.175 753 2HZ LYS 19 2HZ LYS 19 7.108 -21.299 -8.907 754 3HZ LYS 19 3HZ LYS 19 7.592 -21.018 -10.512 755 H VAL 20 H VAL 20 0.828 -16.784 -7.841 756 HA VAL 20 HA VAL 20 -0.049 -16.113 -5.129 757 HB VAL 20 HB VAL 20 -1.131 -15.071 -7.188 758 1HG1 VAL 20 1HG1 VAL 20 -2.532 -17.716 -7.302 759 2HG1 VAL 20 2HG1 VAL 20 -1.403 -17.099 -8.505 760 3HG1 VAL 20 3HG1 VAL 20 -2.946 -16.286 -8.249 761 1HG2 VAL 20 1HG2 VAL 20 -3.474 -15.403 -6.132 762 2HG2 VAL 20 2HG2 VAL 20 -2.206 -14.523 -5.283 763 3HG2 VAL 20 3HG2 VAL 20 -2.541 -16.196 -4.865 764 H ASP 21 H ASP 21 -1.489 -17.374 -4.079 765 HA ASP 21 HA ASP 21 -1.534 -20.222 -4.843 766 1HB ASP 21 2HB ASP 21 0.097 -19.654 -3.023 767 2HB ASP 21 1HB ASP 21 -1.251 -19.098 -2.050 768 H LEU 22 H LEU 22 -3.247 -17.731 -4.932 769 HA LEU 22 HA LEU 22 -5.549 -18.590 -3.333 770 1HB LEU 22 2HB LEU 22 -5.105 -15.934 -4.680 771 2HB LEU 22 1HB LEU 22 -6.284 -16.331 -3.458 772 HG LEU 22 HG LEU 22 -3.307 -16.146 -3.062 773 1HD1 LEU 22 1HD1 LEU 22 -3.871 -14.244 -1.622 774 2HD1 LEU 22 2HD1 LEU 22 -5.569 -14.421 -2.064 775 3HD1 LEU 22 3HD1 LEU 22 -4.381 -13.979 -3.290 776 1HD2 LEU 22 1HD2 LEU 22 -3.797 -16.491 -0.675 777 2HD2 LEU 22 2HD2 LEU 22 -4.209 -17.901 -1.653 778 3HD2 LEU 22 3HD2 LEU 22 -5.481 -16.820 -1.083 779 H LYS 23 H LYS 23 -7.598 -17.340 -4.675 780 HA LYS 23 HA LYS 23 -7.484 -18.587 -7.317 781 1HB LYS 23 2HB LYS 23 -9.854 -19.121 -7.076 782 2HB LYS 23 1HB LYS 23 -8.900 -19.894 -5.828 783 1HG LYS 23 2HG LYS 23 -9.611 -18.238 -4.221 784 2HG LYS 23 1HG LYS 23 -10.488 -17.364 -5.479 785 1HD LYS 23 2HD LYS 23 -11.921 -19.333 -5.819 786 2HD LYS 23 1HD LYS 23 -11.063 -20.161 -4.518 787 1HE LYS 23 2HE LYS 23 -11.789 -18.450 -2.938 788 2HE LYS 23 1HE LYS 23 -12.616 -17.592 -4.238 789 1HZ LYS 23 1HZ LYS 23 -13.263 -20.331 -3.288 790 2HZ LYS 23 2HZ LYS 23 -14.062 -19.506 -4.538 791 3HZ LYS 23 3HZ LYS 23 -14.155 -18.930 -2.949 792 H GLU 24 H GLU 24 -8.926 -17.668 -8.922 793 HA GLU 24 HA GLU 24 -8.903 -14.823 -8.872 794 1HB GLU 24 2HB GLU 24 -10.224 -16.725 -10.818 795 2HB GLU 24 1HB GLU 24 -9.895 -15.025 -11.078 796 1HG GLU 24 2HG GLU 24 -7.482 -15.483 -10.841 797 2HG GLU 24 1HG GLU 24 -7.856 -17.201 -10.731 798 H GLY 25 H GLY 25 -10.557 -13.449 -8.542 799 1HA GLY 25 2HA GLY 25 -12.758 -12.820 -7.992 800 2HA GLY 25 1HA GLY 25 -13.166 -14.521 -7.781 801 H GLU 26 H GLU 26 -10.209 -13.418 -6.406 802 HA GLU 26 HA GLU 26 -11.369 -13.971 -3.778 803 1HB GLU 26 2HB GLU 26 -8.769 -14.387 -4.999 804 2HB GLU 26 1HB GLU 26 -8.632 -13.657 -3.402 805 1HG GLU 26 2HG GLU 26 -10.127 -16.175 -4.081 806 2HG GLU 26 1HG GLU 26 -8.546 -16.081 -3.319 807 H ARG 27 H ARG 27 -11.106 -12.673 -1.958 808 HA ARG 27 HA ARG 27 -11.155 -9.845 -2.717 809 1HB ARG 27 2HB ARG 27 -12.812 -11.428 -1.109 810 2HB ARG 27 1HB ARG 27 -12.100 -10.225 -0.064 811 1HG ARG 27 2HG ARG 27 -14.201 -9.425 -0.946 812 2HG ARG 27 1HG ARG 27 -12.868 -8.466 -1.590 813 1HD ARG 27 2HD ARG 27 -14.368 -8.895 -3.388 814 2HD ARG 27 1HD ARG 27 -12.940 -9.897 -3.640 815 HE ARG 27 HE ARG 27 -14.875 -11.380 -2.230 816 1HH1 ARG 27 1HH1 ARG 27 -14.294 -10.079 -5.439 817 2HH1 ARG 27 2HH1 ARG 27 -15.273 -11.275 -6.233 818 1HH2 ARG 27 1HH2 ARG 27 -16.134 -12.950 -3.279 819 2HH2 ARG 27 2HH2 ARG 27 -16.303 -12.907 -5.008 820 H VAL 28 H VAL 28 -9.594 -8.695 -2.337 821 HA VAL 28 HA VAL 28 -7.831 -9.148 -0.031 822 HB VAL 28 HB VAL 28 -5.875 -8.660 -1.436 823 1HG1 VAL 28 1HG1 VAL 28 -5.770 -10.777 -2.627 824 2HG1 VAL 28 2HG1 VAL 28 -7.520 -10.952 -2.501 825 3HG1 VAL 28 3HG1 VAL 28 -6.522 -10.988 -1.047 826 1HG2 VAL 28 1HG2 VAL 28 -7.851 -8.719 -3.712 827 2HG2 VAL 28 2HG2 VAL 28 -6.097 -8.682 -3.889 828 3HG2 VAL 28 3HG2 VAL 28 -6.937 -7.319 -3.149 829 H LYS 29 H LYS 29 -6.515 -7.289 0.531 830 HA LYS 29 HA LYS 29 -7.384 -4.759 -0.617 831 1HB LYS 29 2HB LYS 29 -7.268 -5.546 2.252 832 2HB LYS 29 1HB LYS 29 -6.991 -3.878 1.777 833 1HG LYS 29 2HG LYS 29 -9.127 -3.667 0.881 834 2HG LYS 29 1HG LYS 29 -9.384 -5.403 0.856 835 1HD LYS 29 2HD LYS 29 -10.608 -4.225 2.639 836 2HD LYS 29 1HD LYS 29 -9.539 -5.497 3.209 837 1HE LYS 29 2HE LYS 29 -7.841 -3.655 3.621 838 2HE LYS 29 1HE LYS 29 -9.173 -2.523 3.384 839 1HZ LYS 29 1HZ LYS 29 -8.889 -3.012 5.724 840 2HZ LYS 29 2HZ LYS 29 -9.037 -4.674 5.430 841 3HZ LYS 29 3HZ LYS 29 -10.369 -3.647 5.186 842 H ILE 30 H ILE 30 -5.882 -3.096 -0.365 843 HA ILE 30 HA ILE 30 -3.116 -4.154 -0.342 844 HB ILE 30 HB ILE 30 -3.626 -2.020 -2.293 845 1HG1 ILE 30 2HG1 ILE 30 -5.658 -3.524 -2.566 846 2HG1 ILE 30 1HG1 ILE 30 -4.647 -3.344 -3.993 847 1HG2 ILE 30 1HG2 ILE 30 -2.084 -3.373 -3.623 848 2HG2 ILE 30 2HG2 ILE 30 -2.165 -4.649 -2.409 849 3HG2 ILE 30 3HG2 ILE 30 -1.464 -3.083 -1.995 850 1HD1 ILE 30 1HD1 ILE 30 -3.656 -5.519 -3.603 851 2HD1 ILE 30 2HD1 ILE 30 -5.415 -5.646 -3.674 852 3HD1 ILE 30 3HD1 ILE 30 -4.589 -5.696 -2.117 853 H LYS 31 H LYS 31 -1.653 -2.887 0.528 854 HA LYS 31 HA LYS 31 -2.111 -0.064 0.721 855 1HB LYS 31 2HB LYS 31 -1.405 0.039 2.993 856 2HB LYS 31 1HB LYS 31 -2.855 -0.932 2.860 857 1HG LYS 31 2HG LYS 31 -0.197 -2.252 2.830 858 2HG LYS 31 1HG LYS 31 -0.869 -1.650 4.331 859 1HD LYS 31 2HD LYS 31 -2.298 -3.530 2.481 860 2HD LYS 31 1HD LYS 31 -1.365 -4.030 3.884 861 1HE LYS 31 2HE LYS 31 -2.838 -2.727 5.336 862 2HE LYS 31 1HE LYS 31 -3.769 -2.216 3.929 863 1HZ LYS 31 1HZ LYS 31 -3.503 -5.009 4.923 864 2HZ LYS 31 2HZ LYS 31 -4.354 -4.551 3.541 865 3HZ LYS 31 3HZ LYS 31 -4.875 -4.028 5.064 866 H LEU 32 H LEU 32 -0.067 0.988 1.406 867 HA LEU 32 HA LEU 32 2.076 -0.191 -0.175 868 1HB LEU 32 2HB LEU 32 1.681 2.610 0.867 869 2HB LEU 32 1HB LEU 32 3.002 2.089 -0.152 870 HG LEU 32 HG LEU 32 0.392 1.464 -1.299 871 1HD1 LEU 32 1HD1 LEU 32 -0.208 3.717 -1.904 872 2HD1 LEU 32 2HD1 LEU 32 1.138 4.360 -0.962 873 3HD1 LEU 32 3HD1 LEU 32 -0.202 3.549 -0.150 874 1HD2 LEU 32 1HD2 LEU 32 2.752 3.031 -2.323 875 2HD2 LEU 32 2HD2 LEU 32 1.409 2.414 -3.285 876 3HD2 LEU 32 3HD2 LEU 32 2.520 1.292 -2.500 877 H GLU 33 H GLU 33 3.810 -1.005 0.794 878 HA GLU 33 HA GLU 33 3.712 -1.262 3.635 879 1HB GLU 33 2HB GLU 33 5.803 -2.165 1.667 880 2HB GLU 33 1HB GLU 33 5.707 -2.647 3.346 881 1HG GLU 33 2HG GLU 33 3.624 -3.202 1.260 882 2HG GLU 33 1HG GLU 33 4.826 -4.351 1.840 883 H LEU 34 H LEU 34 5.188 -0.560 5.136 884 HA LEU 34 HA LEU 34 6.449 1.954 4.346 885 1HB LEU 34 2HB LEU 34 5.587 0.921 7.042 886 2HB LEU 34 1HB LEU 34 6.447 2.431 6.803 887 HG LEU 34 HG LEU 34 3.761 1.803 5.616 888 1HD1 LEU 34 1HD1 LEU 34 2.842 3.319 7.299 889 2HD1 LEU 34 2HD1 LEU 34 4.441 3.481 8.027 890 3HD1 LEU 34 3HD1 LEU 34 3.615 1.923 8.051 891 1HD2 LEU 34 1HD2 LEU 34 3.672 4.186 5.134 892 2HD2 LEU 34 2HD2 LEU 34 5.049 3.424 4.341 893 3HD2 LEU 34 3HD2 LEU 34 5.294 4.383 5.800 894 H LYS 35 H LYS 35 8.192 2.545 6.020 895 HA LYS 35 HA LYS 35 10.419 0.794 5.549 896 1HB LYS 35 2HB LYS 35 11.668 2.597 6.686 897 2HB LYS 35 1HB LYS 35 10.668 3.221 5.390 898 1HG LYS 35 2HG LYS 35 9.000 3.939 6.975 899 2HG LYS 35 1HG LYS 35 9.905 3.214 8.300 900 1HD LYS 35 2HD LYS 35 11.749 4.783 7.865 901 2HD LYS 35 1HD LYS 35 10.794 5.527 6.578 902 1HE LYS 35 2HE LYS 35 9.074 6.146 8.166 903 2HE LYS 35 1HE LYS 35 9.934 5.319 9.460 904 1HZ LYS 35 1HZ LYS 35 11.777 6.910 9.127 905 2HZ LYS 35 2HZ LYS 35 10.333 7.645 9.626 906 3HZ LYS 35 3HZ LYS 35 10.819 7.758 8.007 907 H VAL 36 H VAL 36 11.943 0.315 7.377 908 HA VAL 36 HA VAL 36 10.555 -0.066 9.944 909 HB VAL 36 HB VAL 36 11.601 -2.092 8.979 910 1HG1 VAL 36 1HG1 VAL 36 13.480 -1.062 7.835 911 2HG1 VAL 36 2HG1 VAL 36 14.019 -2.339 8.924 912 3HG1 VAL 36 3HG1 VAL 36 14.204 -0.649 9.390 913 1HG2 VAL 36 1HG2 VAL 36 12.761 -2.823 11.005 914 2HG2 VAL 36 2HG2 VAL 36 11.291 -1.923 11.380 915 3HG2 VAL 36 3HG2 VAL 36 12.865 -1.145 11.539 916 H GLU 37 H GLU 37 11.609 0.689 11.835 917 HA GLU 37 HA GLU 37 13.216 3.056 11.321 918 1HB GLU 37 2HB GLU 37 11.640 2.090 13.697 919 2HB GLU 37 1HB GLU 37 12.712 3.471 13.774 920 1HG GLU 37 2HG GLU 37 11.408 4.475 11.885 921 2HG GLU 37 1HG GLU 37 10.256 3.158 12.084 922 HA PRO 38 HA PRO 38 16.994 1.320 12.643 923 1HB PRO 38 2HB PRO 38 17.621 3.790 14.113 924 2HB PRO 38 1HB PRO 38 18.426 3.077 12.713 925 1HG PRO 38 2HG PRO 38 16.940 5.305 12.504 926 2HG PRO 38 1HG PRO 38 17.015 4.099 11.207 927 1HD PRO 38 2HD PRO 38 14.874 4.564 13.241 928 2HD PRO 38 1HD PRO 38 14.737 4.155 11.522 929 H ILE 39 H ILE 39 18.445 1.112 14.548 930 HA ILE 39 HA ILE 39 16.829 0.288 16.822 931 HB ILE 39 HB ILE 39 18.864 -0.984 17.468 932 1HG1 ILE 39 2HG1 ILE 39 19.899 -0.119 14.764 933 2HG1 ILE 39 1HG1 ILE 39 20.506 0.458 16.310 934 1HG2 ILE 39 1HG2 ILE 39 17.077 -2.061 16.252 935 2HG2 ILE 39 2HG2 ILE 39 18.637 -2.700 15.734 936 3HG2 ILE 39 3HG2 ILE 39 17.778 -1.539 14.719 937 1HD1 ILE 39 1HD1 ILE 39 20.621 -2.383 15.324 938 2HD1 ILE 39 2HD1 ILE 39 21.216 -1.810 16.882 939 3HD1 ILE 39 3HD1 ILE 39 21.965 -1.243 15.387 940 H ASP 40 H ASP 40 18.066 0.381 18.963 941 HA ASP 40 HA ASP 40 18.781 3.150 19.420 942 1HB ASP 40 2HB ASP 40 17.272 2.165 21.011 943 2HB ASP 40 1HB ASP 40 18.364 0.811 21.289 944 H LEU 41 H LEU 41 20.769 3.915 19.834 945 HA LEU 41 HA LEU 41 22.918 2.025 20.412 946 1HB LEU 41 2HB LEU 41 24.380 3.478 18.849 947 2HB LEU 41 1HB LEU 41 23.348 2.243 18.159 948 HG LEU 41 HG LEU 41 21.658 4.094 17.707 949 1HD1 LEU 41 1HD1 LEU 41 22.538 6.363 17.541 950 2HD1 LEU 41 2HD1 LEU 41 24.060 5.829 18.256 951 3HD1 LEU 41 3HD1 LEU 41 22.574 5.780 19.207 952 1HD2 LEU 41 1HD2 LEU 41 22.816 4.800 15.667 953 2HD2 LEU 41 2HD2 LEU 41 22.999 3.071 15.957 954 3HD2 LEU 41 3HD2 LEU 41 24.331 4.169 16.313 955 H GLY 42 H GLY 42 24.990 3.314 21.027 956 1HA GLY 42 2HA GLY 42 24.075 5.089 23.138 957 2HA GLY 42 1HA GLY 42 25.663 4.348 23.013 958 H GLU 43 H GLU 43 26.858 6.120 23.314 959 HA GLU 43 HA GLU 43 26.278 8.548 21.792 960 1HB GLU 43 2HB GLU 43 28.547 8.930 23.438 961 2HB GLU 43 1HB GLU 43 26.933 9.577 23.656 962 1HG GLU 43 2HG GLU 43 27.610 8.500 25.672 963 2HG GLU 43 1HG GLU 43 26.337 7.536 24.931 964 HA PRO 44 HA PRO 44 29.707 7.859 19.041 965 1HB PRO 44 2HB PRO 44 29.639 10.656 18.324 966 2HB PRO 44 1HB PRO 44 29.089 9.268 17.386 967 1HG PRO 44 2HG PRO 44 27.409 11.158 18.434 968 2HG PRO 44 1HG PRO 44 26.928 9.487 18.087 969 1HD PRO 44 2HD PRO 44 27.674 10.744 20.698 970 2HD PRO 44 1HD PRO 44 26.401 9.556 20.340 971 H VAL 45 H VAL 45 31.844 7.873 19.446 972 HA VAL 45 HA VAL 45 32.852 9.422 21.626 973 HB VAL 45 HB VAL 45 33.740 7.273 21.440 974 1HG1 VAL 45 1HG1 VAL 45 34.956 6.440 19.464 975 2HG1 VAL 45 2HG1 VAL 45 34.549 7.934 18.618 976 3HG1 VAL 45 3HG1 VAL 45 33.272 6.823 19.113 977 1HG2 VAL 45 1HG2 VAL 45 36.165 7.607 21.202 978 2HG2 VAL 45 2HG2 VAL 45 35.389 8.849 22.184 979 3HG2 VAL 45 3HG2 VAL 45 35.849 9.201 20.517 980 H SER 46 H SER 46 34.388 10.977 21.634 981 HA SER 46 HA SER 46 34.510 12.581 19.174 982 1HB SER 46 2HB SER 46 34.973 13.462 22.030 983 2HB SER 46 1HB SER 46 34.777 14.484 20.619 984 HG SER 46 HG SER 46 32.630 13.098 20.562 985 H VAL 47 H VAL 47 36.535 14.011 19.099 986 HA VAL 47 HA VAL 47 38.898 12.633 20.133 987 HB VAL 47 HB VAL 47 38.449 11.975 17.762 988 1HG1 VAL 47 1HG1 VAL 47 39.033 14.867 17.180 989 2HG1 VAL 47 2HG1 VAL 47 37.504 14.026 16.920 990 3HG1 VAL 47 3HG1 VAL 47 38.927 13.583 15.976 991 1HG2 VAL 47 1HG2 VAL 47 40.692 11.827 18.676 992 2HG2 VAL 47 2HG2 VAL 47 40.993 13.515 18.262 993 3HG2 VAL 47 3HG2 VAL 47 40.759 12.322 16.985 994 H GLU 48 H GLU 48 40.679 13.990 20.531 995 HA GLU 48 HA GLU 48 40.016 16.793 20.840 996 1HB GLU 48 2HB GLU 48 42.420 15.178 21.623 997 2HB GLU 48 1HB GLU 48 42.336 16.914 21.845 998 1HG GLU 48 2HG GLU 48 40.342 14.993 23.016 999 2HG GLU 48 1HG GLU 48 41.777 15.564 23.867 1000 H GLU 49 H GLU 49 40.586 18.357 19.584 1001 HA GLU 49 HA GLU 49 42.021 17.780 17.138 1002 1HB GLU 49 2HB GLU 49 39.913 19.112 17.180 1003 2HB GLU 49 1HB GLU 49 40.776 20.376 18.044 1004 1HG GLU 49 2HG GLU 49 42.261 20.685 16.143 1005 2HG GLU 49 1HG GLU 49 41.444 19.377 15.287 1006 H ILE 50 H ILE 50 42.593 19.261 20.161 1007 HA ILE 50 HA ILE 50 44.711 21.014 19.410 1008 HB ILE 50 HB ILE 50 43.274 21.245 21.465 1009 1HG1 ILE 50 2HG1 ILE 50 46.263 21.207 21.953 1010 2HG1 ILE 50 1HG1 ILE 50 45.378 22.515 21.175 1011 1HG2 ILE 50 1HG2 ILE 50 43.936 19.988 23.476 1012 2HG2 ILE 50 2HG2 ILE 50 45.050 19.034 22.497 1013 3HG2 ILE 50 3HG2 ILE 50 43.314 18.932 22.207 1014 1HD1 ILE 50 1HD1 ILE 50 45.879 23.034 23.495 1015 2HD1 ILE 50 2HD1 ILE 50 45.016 21.588 24.017 1016 3HD1 ILE 50 3HD1 ILE 50 44.138 22.905 23.241 1017 H LYS 51 H LYS 51 44.592 17.742 19.461 1018 HA LYS 51 HA LYS 51 47.064 17.058 20.701 1019 1HB LYS 51 2HB LYS 51 45.375 15.379 20.548 1020 2HB LYS 51 1HB LYS 51 45.230 15.593 18.813 1021 1HG LYS 51 2HG LYS 51 47.477 14.659 18.513 1022 2HG LYS 51 1HG LYS 51 47.600 14.421 20.258 1023 1HD LYS 51 2HD LYS 51 45.784 12.858 20.237 1024 2HD LYS 51 1HD LYS 51 45.433 13.212 18.545 1025 1HE LYS 51 2HE LYS 51 48.001 11.989 19.548 1026 2HE LYS 51 1HE LYS 51 46.645 11.073 18.890 1027 1HZ LYS 51 1HZ LYS 51 48.257 13.102 17.443 1028 2HZ LYS 51 2HZ LYS 51 46.896 12.320 16.810 1029 3HZ LYS 51 3HZ LYS 51 48.285 11.428 17.194 1030 H LYS 52 H LYS 52 49.068 17.087 19.888 1031 HA LYS 52 HA LYS 52 49.525 16.843 17.060 1032 1HB LYS 52 2HB LYS 52 51.128 18.792 17.244 1033 2HB LYS 52 1HB LYS 52 49.428 19.190 17.170 1034 1HG LYS 52 2HG LYS 52 49.560 19.257 19.733 1035 2HG LYS 52 1HG LYS 52 51.308 19.319 19.499 1036 1HD LYS 52 2HD LYS 52 49.320 21.257 18.313 1037 2HD LYS 52 1HD LYS 52 50.290 21.556 19.753 1038 1HE LYS 52 2HE LYS 52 52.331 21.369 18.426 1039 2HE LYS 52 1HE LYS 52 51.368 21.028 16.986 1040 1HZ LYS 52 1HZ LYS 52 50.375 23.213 17.159 1041 2HZ LYS 52 2HZ LYS 52 52.065 23.353 17.092 1042 3HZ LYS 52 3HZ LYS 52 51.253 23.537 18.574 1043 H ILE 53 H ILE 53 50.713 15.009 17.204 1044 HA ILE 53 HA ILE 53 53.229 15.149 18.711 1045 HB ILE 53 HB ILE 53 51.373 12.765 18.828 1046 1HG1 ILE 53 2HG1 ILE 53 52.239 14.657 21.023 1047 2HG1 ILE 53 1HG1 ILE 53 50.647 14.632 20.279 1048 1HG2 ILE 53 1HG2 ILE 53 53.040 11.808 20.365 1049 2HG2 ILE 53 2HG2 ILE 53 54.097 13.187 20.057 1050 3HG2 ILE 53 3HG2 ILE 53 53.693 12.075 18.749 1051 1HD1 ILE 53 1HD1 ILE 53 50.284 12.371 21.139 1052 2HD1 ILE 53 2HD1 ILE 53 50.622 13.526 22.430 1053 3HD1 ILE 53 3HD1 ILE 53 51.878 12.411 21.895 1054 H ARG 54 H ARG 54 54.745 14.928 17.188 1055 HA ARG 54 HA ARG 54 54.256 13.215 14.876 1056 1HB ARG 54 2HB ARG 54 55.282 15.411 14.498 1057 2HB ARG 54 1HB ARG 54 56.609 14.984 15.570 1058 1HG ARG 54 2HG ARG 54 57.314 14.760 13.287 1059 2HG ARG 54 1HG ARG 54 57.236 13.163 14.034 1060 1HD ARG 54 2HD ARG 54 54.867 13.042 13.039 1061 2HD ARG 54 1HD ARG 54 55.371 14.400 12.033 1062 HE ARG 54 HE ARG 54 56.833 11.835 12.065 1063 1HH1 ARG 54 1HH1 ARG 54 55.342 14.494 10.341 1064 2HH1 ARG 54 2HH1 ARG 54 55.774 13.894 8.775 1065 1HH2 ARG 54 1HH2 ARG 54 57.379 11.021 10.012 1066 2HH2 ARG 54 2HH2 ARG 54 56.918 11.890 8.580 1067 H ASP 55 H ASP 55 56.695 13.593 17.441 1068 HA ASP 55 HA ASP 55 57.020 10.683 17.470 1069 1HB ASP 55 2HB ASP 55 59.422 10.779 17.420 1070 2HB ASP 55 1HB ASP 55 58.827 11.655 16.016 1071 H GLY 56 H GLY 56 58.406 10.049 19.418 1072 1HA GLY 56 2HA GLY 56 57.382 11.498 21.725 1073 2HA GLY 56 1HA GLY 56 58.181 9.931 21.749 1074 H THR 57 H THR 57 60.263 9.842 22.344 1075 HA THR 57 HA THR 57 62.034 12.042 21.796 1076 HB THR 57 HB THR 57 61.082 12.834 23.868 1077 HG1 THR 57 HG1 THR 57 63.016 13.455 24.405 1078 1HG2 THR 57 1HG2 THR 57 60.305 10.725 24.811 1079 2HG2 THR 57 2HG2 THR 57 61.312 11.594 25.969 1080 3HG2 THR 57 3HG2 THR 57 61.972 10.219 25.080 1081 H TRP 58 H TRP 58 64.139 11.454 21.762 1082 HA TRP 58 HA TRP 58 65.045 8.959 22.861 1083 1HB TRP 58 2HB TRP 58 63.956 8.337 20.688 1084 2HB TRP 58 1HB TRP 58 65.134 9.344 19.862 1085 HD1 TRP 58 HD1 TRP 58 67.147 8.060 18.974 1086 HE1 TRP 58 HE1 TRP 58 68.364 5.875 19.584 1087 HE3 TRP 58 HE3 TRP 58 64.405 6.718 23.068 1088 HZ2 TRP 58 HZ2 TRP 58 68.184 3.852 21.548 1089 HZ3 TRP 58 HZ3 TRP 58 64.991 4.649 24.257 1090 HH2 TRP 58 HH2 TRP 58 66.841 3.246 23.511 1091 H MET 59 H MET 59 67.180 9.039 23.283 1092 HA MET 59 HA MET 59 68.661 11.353 22.223 1093 1HB MET 59 2HB MET 59 69.956 11.366 24.293 1094 2HB MET 59 1HB MET 59 68.240 11.527 24.637 1095 1HG MET 59 2HG MET 59 68.113 9.207 25.293 1096 2HG MET 59 1HG MET 59 69.800 8.962 24.848 1097 1HE MET 59 1HE MET 59 71.835 10.019 26.128 1098 2HE MET 59 2HE MET 59 71.685 11.117 27.502 1099 3HE MET 59 3HE MET 59 71.164 11.631 25.895 1100 H SER 60 H SER 60 71.115 10.958 22.386 1101 HA SER 60 HA SER 60 71.897 8.202 21.934 1102 1HB SER 60 2HB SER 60 71.145 9.009 19.702 1103 2HB SER 60 1HB SER 60 72.302 10.333 19.810 1104 HG SER 60 HG SER 60 72.831 8.155 18.690 1105 H SER 61 H SER 61 74.420 8.507 21.081 1106 HA SER 61 HA SER 61 75.683 9.779 23.361 1107 1HB SER 61 2HB SER 61 76.949 8.220 21.095 1108 2HB SER 61 1HB SER 61 77.679 8.604 22.655 1109 HG SER 61 HG SER 61 76.546 7.076 23.594 1110 H LEU 62 H LEU 62 74.593 11.000 20.641 1111 HA LEU 62 HA LEU 62 74.959 12.799 19.355 1112 1HB LEU 62 2HB LEU 62 76.987 13.492 21.477 1113 2HB LEU 62 1HB LEU 62 76.337 14.578 20.271 1114 HG LEU 62 HG LEU 62 74.717 13.261 22.446 1115 1HD1 LEU 62 1HD1 LEU 62 74.596 15.506 23.417 1116 2HD1 LEU 62 2HD1 LEU 62 75.702 16.098 22.177 1117 3HD1 LEU 62 3HD1 LEU 62 76.254 14.909 23.359 1118 1HD2 LEU 62 1HD2 LEU 62 73.403 13.703 20.444 1119 2HD2 LEU 62 2HD2 LEU 62 73.987 15.367 20.410 1120 3HD2 LEU 62 3HD2 LEU 62 72.958 14.821 21.734 1121 H GLU 63 H GLU 63 77.228 14.244 18.686 1122 HA GLU 63 HA GLU 63 78.732 12.189 17.243 1123 1HB GLU 63 2HB GLU 63 77.610 13.973 15.919 1124 2HB GLU 63 1HB GLU 63 78.618 15.167 16.728 1125 1HG GLU 63 2HG GLU 63 79.397 14.530 14.463 1126 2HG GLU 63 1HG GLU 63 80.594 14.279 15.733 1127 H HIS 64 H HIS 64 80.956 12.163 17.204 1128 HA HIS 64 HA HIS 64 82.596 13.953 18.653 1129 1HB HIS 64 2HB HIS 64 83.323 12.330 20.444 1130 2HB HIS 64 1HB HIS 64 81.710 12.992 20.667 1131 HD1 HIS 64 HD1 HIS 64 83.556 9.832 20.236 1132 HD2 HIS 64 HD2 HIS 64 79.598 11.112 20.191 1133 HE1 HIS 64 HE1 HIS 64 82.162 7.743 20.430 1134 HE2 HIS 64 HE2 HIS 64 79.780 8.531 20.151 1135 H HIS 65 H HIS 65 84.249 13.921 17.268 1136 HA HIS 65 HA HIS 65 85.201 11.297 16.337 1137 1HB HIS 65 2HB HIS 65 86.058 12.372 14.330 1138 2HB HIS 65 1HB HIS 65 84.344 12.714 14.506 1139 HD1 HIS 65 HD1 HIS 65 83.729 15.211 15.255 1140 HD2 HIS 65 HD2 HIS 65 87.694 14.555 14.184 1141 HE1 HIS 65 HE1 HIS 65 84.698 17.486 14.819 1142 HE2 HIS 65 HE2 HIS 65 87.047 17.052 14.007 1143 H HIS 66 H HIS 66 87.270 10.731 16.723 1144 HA HIS 66 HA HIS 66 89.238 12.665 17.521 1145 1HB HIS 66 2HB HIS 66 88.005 12.469 19.611 1146 2HB HIS 66 1HB HIS 66 88.140 10.714 19.556 1147 HD1 HIS 66 HD1 HIS 66 90.050 9.748 20.816 1148 HD2 HIS 66 HD2 HIS 66 90.684 13.740 19.824 1149 HE1 HIS 66 HE1 HIS 66 92.225 10.392 21.921 1150 HE2 HIS 66 HE2 HIS 66 92.495 12.857 21.442 1151 H HIS 67 H HIS 67 90.559 11.861 15.981 1152 HA HIS 67 HA HIS 67 92.412 9.975 16.799 1153 1HB HIS 67 2HB HIS 67 92.077 8.032 15.536 1154 2HB HIS 67 1HB HIS 67 90.456 8.403 16.097 1155 HD1 HIS 67 HD1 HIS 67 88.770 9.323 14.282 1156 HD2 HIS 67 HD2 HIS 67 92.437 8.038 12.804 1157 HE1 HIS 67 HE1 HIS 67 88.450 9.071 11.803 1158 HE2 HIS 67 HE2 HIS 67 90.601 8.049 10.980 1159 H HIS 68 H HIS 68 94.150 9.721 15.177 1160 HA HIS 68 HA HIS 68 93.879 11.633 12.950 1161 1HB HIS 68 2HB HIS 68 96.278 11.398 14.789 1162 2HB HIS 68 1HB HIS 68 96.205 12.393 13.340 1163 HD1 HIS 68 HD1 HIS 68 95.165 14.693 13.560 1164 HD2 HIS 68 HD2 HIS 68 94.652 12.342 16.958 1165 HE1 HIS 68 HE1 HIS 68 94.212 16.226 15.311 1166 HE2 HIS 68 HE2 HIS 68 94.078 14.826 17.402 1167 H HIS 69 H HIS 69 96.936 10.188 13.645 1168 HA HIS 69 HA HIS 69 96.571 7.761 12.246 1169 1HB HIS 69 2HB HIS 69 98.143 8.406 10.308 1170 2HB HIS 69 1HB HIS 69 96.457 8.886 10.194 1171 HD1 HIS 69 HD1 HIS 69 99.741 10.435 11.337 1172 HD2 HIS 69 HD2 HIS 69 96.153 11.473 9.519 1173 HE1 HIS 69 HE1 HIS 69 99.982 12.861 10.702 1174 HE2 HIS 69 HE2 HIS 69 97.855 13.421 9.463 Start of MODEL 10 1 1H MET 1 1H MET 1 -3.342 10.108 5.265 2 2H MET 1 2H MET 1 -2.916 9.718 6.860 3 3H MET 1 3H MET 1 -3.902 11.060 6.552 4 HA MET 1 HA MET 1 -5.201 9.216 7.393 5 1HB MET 1 2HB MET 1 -5.650 9.881 4.472 6 2HB MET 1 1HB MET 1 -6.830 9.069 5.490 7 1HG MET 1 2HG MET 1 -6.984 11.013 6.919 8 2HG MET 1 1HG MET 1 -5.722 11.820 5.989 9 1HE MET 1 1HE MET 1 -6.452 10.997 3.012 10 2HE MET 1 2HE MET 1 -5.997 12.630 3.498 11 3HE MET 1 3HE MET 1 -7.450 12.370 2.534 12 HA PRO 2 HA PRO 2 -3.683 5.311 5.810 13 1HB PRO 2 2HB PRO 2 -4.384 3.847 7.981 14 2HB PRO 2 1HB PRO 2 -2.942 4.860 7.937 15 1HG PRO 2 2HG PRO 2 -5.451 5.252 9.395 16 2HG PRO 2 1HG PRO 2 -3.869 5.994 9.674 17 1HD PRO 2 2HD PRO 2 -6.171 7.104 8.330 18 2HD PRO 2 1HD PRO 2 -4.614 7.883 8.671 19 H LYS 3 H LYS 3 -5.173 4.996 4.139 20 HA LYS 3 HA LYS 3 -7.581 3.494 4.929 21 1HB LYS 3 2HB LYS 3 -8.145 5.805 4.203 22 2HB LYS 3 1HB LYS 3 -7.433 5.462 2.636 23 1HG LYS 3 2HG LYS 3 -9.096 3.664 2.324 24 2HG LYS 3 1HG LYS 3 -9.828 4.115 3.863 25 1HD LYS 3 2HD LYS 3 -9.628 5.811 1.376 26 2HD LYS 3 1HD LYS 3 -11.092 5.131 2.089 27 1HE LYS 3 2HE LYS 3 -10.681 6.494 4.115 28 2HE LYS 3 1HE LYS 3 -9.303 7.231 3.305 29 1HZ LYS 3 1HZ LYS 3 -12.174 7.501 2.674 30 2HZ LYS 3 2HZ LYS 3 -10.997 7.842 1.505 31 3HZ LYS 3 3HZ LYS 3 -11.028 8.721 2.958 32 H ILE 4 H ILE 4 -8.232 1.863 3.505 33 HA ILE 4 HA ILE 4 -6.186 1.047 1.578 34 HB ILE 4 HB ILE 4 -7.134 -1.264 1.938 35 1HG1 ILE 4 2HG1 ILE 4 -9.156 -0.287 3.222 36 2HG1 ILE 4 1HG1 ILE 4 -8.451 -1.793 3.761 37 1HG2 ILE 4 1HG2 ILE 4 -4.962 -0.666 2.751 38 2HG2 ILE 4 2HG2 ILE 4 -5.781 -1.662 3.952 39 3HG2 ILE 4 3HG2 ILE 4 -5.668 0.081 4.186 40 1HD1 ILE 4 1HD1 ILE 4 -8.982 -0.362 5.647 41 2HD1 ILE 4 2HD1 ILE 4 -7.953 0.911 4.986 42 3HD1 ILE 4 3HD1 ILE 4 -7.241 -0.609 5.522 43 H ILE 5 H ILE 5 -6.788 0.533 -0.440 44 HA ILE 5 HA ILE 5 -9.631 0.766 -1.129 45 HB ILE 5 HB ILE 5 -7.342 0.552 -3.096 46 1HG1 ILE 5 2HG1 ILE 5 -8.506 3.039 -1.840 47 2HG1 ILE 5 1HG1 ILE 5 -6.856 2.457 -1.665 48 1HG2 ILE 5 1HG2 ILE 5 -10.138 1.666 -3.320 49 2HG2 ILE 5 2HG2 ILE 5 -9.561 0.145 -4.002 50 3HG2 ILE 5 3HG2 ILE 5 -8.928 1.679 -4.600 51 1HD1 ILE 5 1HD1 ILE 5 -8.133 3.452 -4.206 52 2HD1 ILE 5 2HD1 ILE 5 -6.483 2.851 -4.046 53 3HD1 ILE 5 3HD1 ILE 5 -6.968 4.322 -3.206 54 H GLU 6 H GLU 6 -10.526 -0.907 -2.592 55 HA GLU 6 HA GLU 6 -9.394 -3.504 -1.861 56 1HB GLU 6 2HB GLU 6 -12.138 -2.756 -2.868 57 2HB GLU 6 1HB GLU 6 -11.617 -4.397 -2.530 58 1HG GLU 6 2HG GLU 6 -11.160 -3.660 -0.178 59 2HG GLU 6 1HG GLU 6 -11.956 -2.141 -0.577 60 H ALA 7 H ALA 7 -9.194 -5.165 -3.379 61 HA ALA 7 HA ALA 7 -9.595 -4.598 -6.206 62 1HB ALA 7 1HB ALA 7 -7.288 -3.875 -5.786 63 2HB ALA 7 2HB ALA 7 -7.322 -5.322 -6.792 64 3HB ALA 7 3HB ALA 7 -6.914 -5.444 -5.080 65 H VAL 8 H VAL 8 -9.970 -6.472 -7.372 66 HA VAL 8 HA VAL 8 -10.111 -8.944 -5.776 67 HB VAL 8 HB VAL 8 -11.602 -8.509 -8.328 68 1HG1 VAL 8 1HG1 VAL 8 -12.033 -10.336 -5.993 69 2HG1 VAL 8 2HG1 VAL 8 -11.448 -10.779 -7.599 70 3HG1 VAL 8 3HG1 VAL 8 -13.104 -10.213 -7.389 71 1HG2 VAL 8 1HG2 VAL 8 -13.586 -7.849 -7.025 72 2HG2 VAL 8 2HG2 VAL 8 -12.279 -6.673 -6.888 73 3HG2 VAL 8 3HG2 VAL 8 -12.590 -7.805 -5.571 74 H TYR 9 H TYR 9 -9.032 -10.636 -6.434 75 HA TYR 9 HA TYR 9 -7.182 -10.396 -8.696 76 1HB TYR 9 2HB TYR 9 -6.497 -11.148 -6.361 77 2HB TYR 9 1HB TYR 9 -7.423 -12.615 -6.636 78 HD1 TYR 9 HD1 TYR 9 -4.452 -10.701 -7.672 79 HD2 TYR 9 HD2 TYR 9 -6.536 -14.390 -7.994 80 HE1 TYR 9 HE1 TYR 9 -2.462 -11.724 -8.675 81 HE2 TYR 9 HE2 TYR 9 -4.547 -15.429 -9.002 82 HH TYR 9 HH TYR 9 -2.527 -14.961 -10.008 83 H GLU 10 H GLU 10 -7.870 -10.964 -10.534 84 HA GLU 10 HA GLU 10 -9.273 -13.504 -10.921 85 1HB GLU 10 2HB GLU 10 -9.979 -10.797 -12.033 86 2HB GLU 10 1HB GLU 10 -10.499 -12.283 -12.787 87 1HG GLU 10 2HG GLU 10 -11.668 -12.895 -10.711 88 2HG GLU 10 1HG GLU 10 -11.187 -11.342 -10.023 89 H ASN 11 H ASN 11 -8.432 -14.652 -12.583 90 HA ASN 11 HA ASN 11 -7.362 -15.197 -14.514 91 1HB ASN 11 2HB ASN 11 -8.588 -13.044 -15.266 92 2HB ASN 11 1HB ASN 11 -7.004 -12.294 -15.168 93 1HD2 ASN 11 1HD2 ASN 11 -8.948 -14.677 -16.808 94 2HD2 ASN 11 2HD2 ASN 11 -7.925 -14.838 -18.206 95 H GLY 12 H GLY 12 -6.004 -14.368 -11.968 96 1HA GLY 12 2HA GLY 12 -3.782 -14.552 -11.296 97 2HA GLY 12 1HA GLY 12 -3.292 -14.444 -12.980 98 H VAL 13 H VAL 13 -5.497 -12.088 -11.923 99 HA VAL 13 HA VAL 13 -3.335 -10.049 -11.764 100 HB VAL 13 HB VAL 13 -6.118 -9.578 -12.774 101 1HG1 VAL 13 1HG1 VAL 13 -5.091 -7.626 -13.874 102 2HG1 VAL 13 2HG1 VAL 13 -3.539 -8.056 -13.152 103 3HG1 VAL 13 3HG1 VAL 13 -4.901 -7.605 -12.123 104 1HG2 VAL 13 1HG2 VAL 13 -5.239 -9.712 -15.093 105 2HG2 VAL 13 2HG2 VAL 13 -5.207 -11.264 -14.255 106 3HG2 VAL 13 3HG2 VAL 13 -3.720 -10.336 -14.456 107 H PHE 14 H PHE 14 -3.655 -8.423 -10.180 108 HA PHE 14 HA PHE 14 -6.125 -8.609 -8.618 109 1HB PHE 14 2HB PHE 14 -3.576 -7.050 -8.230 110 2HB PHE 14 1HB PHE 14 -5.023 -6.676 -7.319 111 HD1 PHE 14 HD1 PHE 14 -6.080 -8.655 -6.014 112 HD2 PHE 14 HD2 PHE 14 -2.053 -8.571 -7.393 113 HE1 PHE 14 HE1 PHE 14 -5.476 -10.341 -4.330 114 HE2 PHE 14 HE2 PHE 14 -1.439 -10.265 -5.707 115 HZ PHE 14 HZ PHE 14 -3.155 -11.152 -4.176 116 H LYS 15 H LYS 15 -7.784 -7.524 -9.346 117 HA LYS 15 HA LYS 15 -7.356 -5.096 -10.938 118 1HB LYS 15 2HB LYS 15 -9.697 -7.007 -10.790 119 2HB LYS 15 1HB LYS 15 -9.697 -5.521 -11.711 120 1HG LYS 15 2HG LYS 15 -7.923 -6.368 -13.132 121 2HG LYS 15 1HG LYS 15 -7.849 -7.850 -12.173 122 1HD LYS 15 2HD LYS 15 -10.173 -8.350 -12.790 123 2HD LYS 15 1HD LYS 15 -10.231 -6.878 -13.756 124 1HE LYS 15 2HE LYS 15 -8.448 -7.751 -15.186 125 2HE LYS 15 1HE LYS 15 -8.399 -9.226 -14.222 126 1HZ LYS 15 1HZ LYS 15 -10.782 -8.270 -15.720 127 2HZ LYS 15 2HZ LYS 15 -10.638 -9.739 -14.891 128 3HZ LYS 15 3HZ LYS 15 -9.703 -9.455 -16.277 129 HA PRO 16 HA PRO 16 -8.648 -3.017 -7.099 130 1HB PRO 16 2HB PRO 16 -8.980 -0.978 -9.268 131 2HB PRO 16 1HB PRO 16 -8.363 -0.767 -7.632 132 1HG PRO 16 2HG PRO 16 -6.680 -0.966 -9.662 133 2HG PRO 16 1HG PRO 16 -6.331 -1.813 -8.141 134 1HD PRO 16 2HD PRO 16 -7.265 -2.915 -10.747 135 2HD PRO 16 1HD PRO 16 -6.262 -3.669 -9.490 136 H LEU 17 H LEU 17 -10.406 -1.930 -6.340 137 HA LEU 17 HA LEU 17 -12.785 -1.832 -8.031 138 1HB LEU 17 2HB LEU 17 -12.578 -1.878 -5.010 139 2HB LEU 17 1HB LEU 17 -14.069 -1.678 -5.909 140 HG LEU 17 HG LEU 17 -12.315 -4.143 -5.919 141 1HD1 LEU 17 1HD1 LEU 17 -15.036 -3.639 -4.717 142 2HD1 LEU 17 2HD1 LEU 17 -13.530 -3.887 -3.834 143 3HD1 LEU 17 3HD1 LEU 17 -14.219 -5.200 -4.787 144 1HD2 LEU 17 1HD2 LEU 17 -14.953 -3.627 -7.284 145 2HD2 LEU 17 2HD2 LEU 17 -14.089 -5.165 -7.244 146 3HD2 LEU 17 3HD2 LEU 17 -13.388 -3.778 -8.080 147 H GLN 18 H GLN 18 -12.163 -0.078 -8.954 148 HA GLN 18 HA GLN 18 -12.125 2.071 -9.537 149 1HB GLN 18 2HB GLN 18 -12.698 3.823 -8.146 150 2HB GLN 18 1HB GLN 18 -13.613 2.481 -7.495 151 1HG GLN 18 2HG GLN 18 -12.814 3.181 -5.555 152 2HG GLN 18 1HG GLN 18 -11.379 2.300 -6.021 153 1HE2 GLN 18 1HE2 GLN 18 -10.021 3.551 -4.823 154 2HE2 GLN 18 2HE2 GLN 18 -9.611 5.167 -5.256 155 H LYS 19 H LYS 19 -10.559 3.750 -9.680 156 HA LYS 19 HA LYS 19 -8.064 2.439 -9.851 157 1HB LYS 19 2HB LYS 19 -7.293 4.562 -10.889 158 2HB LYS 19 1HB LYS 19 -8.752 3.906 -11.618 159 1HG LYS 19 2HG LYS 19 -10.110 5.517 -10.441 160 2HG LYS 19 1HG LYS 19 -8.694 6.127 -9.583 161 1HD LYS 19 2HD LYS 19 -7.748 6.986 -11.592 162 2HD LYS 19 1HD LYS 19 -8.954 6.165 -12.584 163 1HE LYS 19 2HE LYS 19 -9.459 8.540 -12.402 164 2HE LYS 19 1HE LYS 19 -10.708 7.573 -11.622 165 1HZ LYS 19 1HZ LYS 19 -10.141 9.479 -10.280 166 2HZ LYS 19 2HZ LYS 19 -8.509 9.022 -10.244 167 3HZ LYS 19 3HZ LYS 19 -9.674 8.059 -9.478 168 H VAL 20 H VAL 20 -6.078 3.046 -9.084 169 HA VAL 20 HA VAL 20 -6.050 4.639 -6.602 170 HB VAL 20 HB VAL 20 -3.953 2.628 -7.282 171 1HG1 VAL 20 1HG1 VAL 20 -3.659 2.542 -4.854 172 2HG1 VAL 20 2HG1 VAL 20 -4.962 3.717 -4.669 173 3HG1 VAL 20 3HG1 VAL 20 -3.473 4.175 -5.495 174 1HG2 VAL 20 1HG2 VAL 20 -6.522 1.995 -5.838 175 2HG2 VAL 20 2HG2 VAL 20 -5.125 0.924 -5.948 176 3HG2 VAL 20 3HG2 VAL 20 -6.020 1.359 -7.405 177 H ASP 21 H ASP 21 -4.700 6.232 -6.437 178 HA ASP 21 HA ASP 21 -3.322 6.966 -8.877 179 1HB ASP 21 2HB ASP 21 -4.731 8.605 -7.714 180 2HB ASP 21 1HB ASP 21 -3.660 8.509 -6.330 181 H LEU 22 H LEU 22 -1.892 5.429 -8.758 182 HA LEU 22 HA LEU 22 0.432 6.002 -7.054 183 1HB LEU 22 2HB LEU 22 -0.601 3.387 -8.123 184 2HB LEU 22 1HB LEU 22 1.011 3.585 -7.495 185 HG LEU 22 HG LEU 22 -1.526 3.990 -5.923 186 1HD1 LEU 22 1HD1 LEU 22 -1.166 1.656 -6.478 187 2HD1 LEU 22 2HD1 LEU 22 -0.858 1.939 -4.765 188 3HD1 LEU 22 3HD1 LEU 22 0.491 1.753 -5.884 189 1HD2 LEU 22 1HD2 LEU 22 0.305 5.415 -5.157 190 2HD2 LEU 22 2HD2 LEU 22 1.359 4.005 -5.044 191 3HD2 LEU 22 3HD2 LEU 22 -0.047 4.142 -3.987 192 H LYS 23 H LYS 23 2.488 5.126 -8.170 193 HA LYS 23 HA LYS 23 2.330 5.796 -11.007 194 1HB LYS 23 2HB LYS 23 4.969 5.630 -10.670 195 2HB LYS 23 1HB LYS 23 4.075 7.109 -10.381 196 1HG LYS 23 2HG LYS 23 4.584 5.177 -8.153 197 2HG LYS 23 1HG LYS 23 5.822 6.329 -8.660 198 1HD LYS 23 2HD LYS 23 4.137 8.147 -8.357 199 2HD LYS 23 1HD LYS 23 3.050 6.949 -7.654 200 1HE LYS 23 2HE LYS 23 4.746 6.449 -5.938 201 2HE LYS 23 1HE LYS 23 5.780 7.702 -6.615 202 1HZ LYS 23 1HZ LYS 23 4.159 9.359 -6.041 203 2HZ LYS 23 2HZ LYS 23 4.507 8.436 -4.661 204 3HZ LYS 23 3HZ LYS 23 3.063 8.182 -5.511 205 H GLU 24 H GLU 24 3.507 4.455 -12.520 206 HA GLU 24 HA GLU 24 2.618 1.816 -12.215 207 1HB GLU 24 2HB GLU 24 4.573 2.952 -14.222 208 2HB GLU 24 1HB GLU 24 3.692 1.446 -14.378 209 1HG GLU 24 2HG GLU 24 1.592 2.614 -14.484 210 2HG GLU 24 1HG GLU 24 2.396 4.149 -14.165 211 H GLY 25 H GLY 25 3.518 0.038 -11.659 212 1HA GLY 25 2HA GLY 25 4.786 -1.267 -10.297 213 2HA GLY 25 1HA GLY 25 6.186 -0.465 -10.995 214 H GLU 26 H GLU 26 3.500 0.471 -8.922 215 HA GLU 26 HA GLU 26 5.399 1.452 -6.920 216 1HB GLU 26 2HB GLU 26 2.740 2.187 -7.750 217 2HB GLU 26 1HB GLU 26 2.726 1.775 -6.038 218 1HG GLU 26 2HG GLU 26 4.530 3.767 -7.359 219 2HG GLU 26 1HG GLU 26 3.094 4.138 -6.425 220 H ARG 27 H ARG 27 5.450 0.565 -4.806 221 HA ARG 27 HA ARG 27 4.538 -2.190 -4.858 222 1HB ARG 27 2HB ARG 27 6.784 -0.849 -3.586 223 2HB ARG 27 1HB ARG 27 6.044 -2.128 -2.641 224 1HG ARG 27 2HG ARG 27 6.309 -3.665 -4.519 225 2HG ARG 27 1HG ARG 27 7.070 -2.377 -5.456 226 1HD ARG 27 2HD ARG 27 8.733 -3.846 -4.481 227 2HD ARG 27 1HD ARG 27 8.843 -2.222 -3.814 228 HE ARG 27 HE ARG 27 7.832 -4.613 -2.411 229 1HH1 ARG 27 1HH1 ARG 27 8.948 -1.282 -2.382 230 2HH1 ARG 27 2HH1 ARG 27 8.982 -1.172 -0.648 231 1HH2 ARG 27 1HH2 ARG 27 7.904 -4.494 -0.132 232 2HH2 ARG 27 2HH2 ARG 27 8.416 -3.013 0.631 233 H VAL 28 H VAL 28 3.251 -3.060 -3.724 234 HA VAL 28 HA VAL 28 1.964 -1.735 -1.450 235 HB VAL 28 HB VAL 28 -0.266 -2.222 -2.306 236 1HG1 VAL 28 1HG1 VAL 28 0.655 -0.050 -2.896 237 2HG1 VAL 28 2HG1 VAL 28 -0.354 -0.655 -4.208 238 3HG1 VAL 28 3HG1 VAL 28 1.404 -0.730 -4.341 239 1HG2 VAL 28 1HG2 VAL 28 -0.631 -3.070 -4.563 240 2HG2 VAL 28 2HG2 VAL 28 0.281 -4.227 -3.597 241 3HG2 VAL 28 3HG2 VAL 28 1.110 -3.234 -4.797 242 H LYS 29 H LYS 29 0.787 -3.297 -0.108 243 HA LYS 29 HA LYS 29 1.763 -6.011 -0.584 244 1HB LYS 29 2HB LYS 29 1.711 -4.366 1.889 245 2HB LYS 29 1HB LYS 29 1.595 -6.116 2.007 246 1HG LYS 29 2HG LYS 29 3.665 -6.398 0.873 247 2HG LYS 29 1HG LYS 29 3.766 -4.678 0.511 248 1HD LYS 29 2HD LYS 29 5.211 -5.271 2.347 249 2HD LYS 29 1HD LYS 29 3.934 -4.187 2.882 250 1HE LYS 29 2HE LYS 29 2.704 -6.321 3.589 251 2HE LYS 29 1HE LYS 29 4.265 -7.123 3.402 252 1HZ LYS 29 1HZ LYS 29 4.106 -6.477 5.655 253 2HZ LYS 29 2HZ LYS 29 3.569 -4.914 5.255 254 3HZ LYS 29 3HZ LYS 29 5.168 -5.373 4.931 255 H ILE 30 H ILE 30 0.530 -7.694 0.106 256 HA ILE 30 HA ILE 30 -2.356 -7.015 -0.119 257 HB ILE 30 HB ILE 30 -1.129 -9.592 -1.058 258 1HG1 ILE 30 2HG1 ILE 30 -0.031 -7.801 -2.320 259 2HG1 ILE 30 1HG1 ILE 30 -1.139 -8.715 -3.341 260 1HG2 ILE 30 1HG2 ILE 30 -3.151 -9.705 -2.430 261 2HG2 ILE 30 2HG2 ILE 30 -3.688 -8.174 -1.734 262 3HG2 ILE 30 3HG2 ILE 30 -3.515 -9.599 -0.707 263 1HD1 ILE 30 1HD1 ILE 30 -1.669 -6.014 -2.119 264 2HD1 ILE 30 2HD1 ILE 30 -2.793 -6.928 -3.123 265 3HD1 ILE 30 3HD1 ILE 30 -1.276 -6.342 -3.806 266 H LYS 31 H LYS 31 -3.750 -8.028 1.088 267 HA LYS 31 HA LYS 31 -3.185 -10.371 2.563 268 1HB LYS 31 2HB LYS 31 -3.665 -9.539 4.691 269 2HB LYS 31 1HB LYS 31 -2.347 -8.591 4.047 270 1HG LYS 31 2HG LYS 31 -5.211 -7.724 3.987 271 2HG LYS 31 1HG LYS 31 -4.095 -7.372 5.291 272 1HD LYS 31 2HD LYS 31 -3.593 -6.644 2.428 273 2HD LYS 31 1HD LYS 31 -4.341 -5.564 3.597 274 1HE LYS 31 2HE LYS 31 -2.341 -5.619 4.979 275 2HE LYS 31 1HE LYS 31 -1.611 -6.804 3.900 276 1HZ LYS 31 1HZ LYS 31 -1.566 -5.177 2.145 277 2HZ LYS 31 2HZ LYS 31 -0.778 -4.544 3.511 278 3HZ LYS 31 3HZ LYS 31 -2.348 -4.040 3.120 279 H LEU 32 H LEU 32 -5.109 -11.256 3.439 280 HA LEU 32 HA LEU 32 -7.317 -10.656 1.636 281 1HB LEU 32 2HB LEU 32 -6.801 -13.145 3.260 282 2HB LEU 32 1HB LEU 32 -8.022 -12.936 2.024 283 HG LEU 32 HG LEU 32 -5.928 -12.424 0.498 284 1HD1 LEU 32 1HD1 LEU 32 -4.287 -12.539 2.290 285 2HD1 LEU 32 2HD1 LEU 32 -4.010 -13.804 1.094 286 3HD1 LEU 32 3HD1 LEU 32 -4.769 -14.200 2.635 287 1HD2 LEU 32 1HD2 LEU 32 -5.901 -14.743 -0.178 288 2HD2 LEU 32 2HD2 LEU 32 -7.552 -14.214 0.160 289 3HD2 LEU 32 3HD2 LEU 32 -6.685 -15.212 1.330 290 H GLU 33 H GLU 33 -9.239 -9.947 2.404 291 HA GLU 33 HA GLU 33 -9.106 -9.178 5.198 292 1HB GLU 33 2HB GLU 33 -10.908 -8.288 2.960 293 2HB GLU 33 1HB GLU 33 -10.916 -7.626 4.583 294 1HG GLU 33 2HG GLU 33 -8.545 -7.604 2.736 295 2HG GLU 33 1HG GLU 33 -9.644 -6.250 2.989 296 H LEU 34 H LEU 34 -10.836 -9.324 6.647 297 HA LEU 34 HA LEU 34 -12.438 -11.756 6.201 298 1HB LEU 34 2HB LEU 34 -11.201 -10.663 8.724 299 2HB LEU 34 1HB LEU 34 -12.330 -12.002 8.698 300 HG LEU 34 HG LEU 34 -9.665 -11.979 7.317 301 1HD1 LEU 34 1HD1 LEU 34 -9.402 -11.966 9.736 302 2HD1 LEU 34 2HD1 LEU 34 -8.967 -13.540 9.070 303 3HD1 LEU 34 3HD1 LEU 34 -10.522 -13.321 9.872 304 1HD2 LEU 34 1HD2 LEU 34 -11.265 -13.410 6.205 305 2HD2 LEU 34 2HD2 LEU 34 -11.683 -14.171 7.740 306 3HD2 LEU 34 3HD2 LEU 34 -10.071 -14.389 7.057 307 H LYS 35 H LYS 35 -14.044 -11.767 8.267 308 HA LYS 35 HA LYS 35 -15.944 -9.643 7.710 309 1HB LYS 35 2HB LYS 35 -17.472 -11.121 9.019 310 2HB LYS 35 1HB LYS 35 -16.794 -11.891 7.596 311 1HG LYS 35 2HG LYS 35 -15.365 -13.229 8.861 312 2HG LYS 35 1HG LYS 35 -15.534 -12.218 10.296 313 1HD LYS 35 2HD LYS 35 -17.853 -12.949 10.535 314 2HD LYS 35 1HD LYS 35 -17.693 -13.943 9.085 315 1HE LYS 35 2HE LYS 35 -17.461 -15.223 11.197 316 2HE LYS 35 1HE LYS 35 -16.052 -15.336 10.145 317 1HZ LYS 35 1HZ LYS 35 -14.919 -13.706 11.507 318 2HZ LYS 35 2HZ LYS 35 -15.441 -14.999 12.473 319 3HZ LYS 35 3HZ LYS 35 -16.286 -13.526 12.501 320 H VAL 36 H VAL 36 -17.283 -8.905 9.628 321 HA VAL 36 HA VAL 36 -15.591 -8.537 12.011 322 HB VAL 36 HB VAL 36 -16.207 -6.458 10.783 323 1HG1 VAL 36 1HG1 VAL 36 -18.477 -5.596 10.893 324 2HG1 VAL 36 2HG1 VAL 36 -19.009 -7.082 11.682 325 3HG1 VAL 36 3HG1 VAL 36 -18.423 -7.128 10.021 326 1HG2 VAL 36 1HG2 VAL 36 -17.277 -6.717 13.583 327 2HG2 VAL 36 2HG2 VAL 36 -16.943 -5.187 12.772 328 3HG2 VAL 36 3HG2 VAL 36 -15.628 -6.310 13.111 329 H GLU 37 H GLU 37 -16.705 -8.548 14.067 330 HA GLU 37 HA GLU 37 -18.720 -10.630 14.144 331 1HB GLU 37 2HB GLU 37 -16.756 -9.482 16.037 332 2HB GLU 37 1HB GLU 37 -18.252 -10.071 16.737 333 1HG GLU 37 2HG GLU 37 -16.430 -11.743 16.717 334 2HG GLU 37 1HG GLU 37 -17.884 -12.267 15.873 335 HA PRO 38 HA PRO 38 -21.953 -7.676 14.669 336 1HB PRO 38 2HB PRO 38 -23.792 -9.802 15.246 337 2HB PRO 38 1HB PRO 38 -23.569 -8.936 13.727 338 1HG PRO 38 2HG PRO 38 -22.948 -11.590 14.116 339 2HG PRO 38 1HG PRO 38 -22.235 -10.566 12.858 340 1HD PRO 38 2HD PRO 38 -21.117 -11.377 15.510 341 2HD PRO 38 1HD PRO 38 -20.300 -11.195 13.946 342 H ILE 39 H ILE 39 -24.109 -7.791 16.176 343 HA ILE 39 HA ILE 39 -23.032 -7.308 18.805 344 HB ILE 39 HB ILE 39 -25.438 -6.507 19.241 345 1HG1 ILE 39 2HG1 ILE 39 -26.549 -5.670 17.119 346 2HG1 ILE 39 1HG1 ILE 39 -25.493 -6.750 16.229 347 1HG2 ILE 39 1HG2 ILE 39 -23.532 -5.030 19.017 348 2HG2 ILE 39 2HG2 ILE 39 -24.945 -4.332 18.224 349 3HG2 ILE 39 3HG2 ILE 39 -23.677 -5.087 17.260 350 1HD1 ILE 39 1HD1 ILE 39 -27.560 -7.547 18.259 351 2HD1 ILE 39 2HD1 ILE 39 -26.467 -8.658 17.430 352 3HD1 ILE 39 3HD1 ILE 39 -27.663 -7.743 16.510 353 H ASP 40 H ASP 40 -24.287 -7.957 20.728 354 HA ASP 40 HA ASP 40 -25.064 -10.772 20.509 355 1HB ASP 40 2HB ASP 40 -23.306 -10.038 22.160 356 2HB ASP 40 1HB ASP 40 -24.555 -9.131 23.003 357 H LEU 41 H LEU 41 -26.878 -11.441 22.056 358 HA LEU 41 HA LEU 41 -29.206 -9.972 21.244 359 1HB LEU 41 2HB LEU 41 -28.949 -12.409 23.000 360 2HB LEU 41 1HB LEU 41 -30.451 -11.779 22.352 361 HG LEU 41 HG LEU 41 -28.162 -12.858 20.706 362 1HD1 LEU 41 1HD1 LEU 41 -29.645 -14.736 20.257 363 2HD1 LEU 41 2HD1 LEU 41 -30.855 -14.051 21.343 364 3HD1 LEU 41 3HD1 LEU 41 -29.304 -14.597 21.982 365 1HD2 LEU 41 1HD2 LEU 41 -30.924 -11.938 19.905 366 2HD2 LEU 41 2HD2 LEU 41 -29.755 -12.720 18.842 367 3HD2 LEU 41 3HD2 LEU 41 -29.402 -11.133 19.521 368 H GLY 42 H GLY 42 -31.005 -9.569 22.843 369 1HA GLY 42 2HA GLY 42 -29.860 -8.100 25.107 370 2HA GLY 42 1HA GLY 42 -31.406 -7.759 24.345 371 H GLU 43 H GLU 43 -32.681 -7.878 26.130 372 HA GLU 43 HA GLU 43 -32.887 -10.470 27.464 373 1HB GLU 43 2HB GLU 43 -33.216 -9.120 29.591 374 2HB GLU 43 1HB GLU 43 -31.577 -9.228 28.978 375 1HG GLU 43 2HG GLU 43 -31.956 -6.994 27.901 376 2HG GLU 43 1HG GLU 43 -33.474 -6.905 28.794 377 HA PRO 44 HA PRO 44 -37.255 -9.799 27.048 378 1HB PRO 44 2HB PRO 44 -38.237 -11.247 29.099 379 2HB PRO 44 1HB PRO 44 -37.481 -11.999 27.691 380 1HG PRO 44 2HG PRO 44 -36.333 -11.470 30.401 381 2HG PRO 44 1HG PRO 44 -36.169 -12.910 29.378 382 1HD PRO 44 2HD PRO 44 -34.255 -10.969 29.578 383 2HD PRO 44 1HD PRO 44 -34.476 -11.982 28.139 384 H VAL 45 H VAL 45 -39.268 -9.328 28.528 385 HA VAL 45 HA VAL 45 -38.564 -6.985 30.159 386 HB VAL 45 HB VAL 45 -41.307 -7.612 29.095 387 1HG1 VAL 45 1HG1 VAL 45 -41.607 -5.175 29.264 388 2HG1 VAL 45 2HG1 VAL 45 -39.977 -5.042 29.924 389 3HG1 VAL 45 3HG1 VAL 45 -41.218 -5.924 30.814 390 1HG2 VAL 45 1HG2 VAL 45 -40.826 -6.154 27.170 391 2HG2 VAL 45 2HG2 VAL 45 -39.834 -7.614 27.168 392 3HG2 VAL 45 3HG2 VAL 45 -39.137 -6.074 27.674 393 H SER 46 H SER 46 -39.831 -6.610 32.119 394 HA SER 46 HA SER 46 -40.444 -9.131 33.470 395 1HB SER 46 2HB SER 46 -39.796 -6.386 34.566 396 2HB SER 46 1HB SER 46 -40.085 -7.826 35.530 397 HG SER 46 HG SER 46 -37.817 -7.307 35.088 398 H VAL 47 H VAL 47 -41.975 -8.388 35.527 399 HA VAL 47 HA VAL 47 -44.426 -7.370 34.253 400 HB VAL 47 HB VAL 47 -44.228 -9.170 36.676 401 1HG1 VAL 47 1HG1 VAL 47 -46.617 -9.500 36.371 402 2HG1 VAL 47 2HG1 VAL 47 -46.607 -8.416 34.981 403 3HG1 VAL 47 3HG1 VAL 47 -46.254 -7.789 36.590 404 1HG2 VAL 47 1HG2 VAL 47 -45.003 -10.969 35.196 405 2HG2 VAL 47 2HG2 VAL 47 -43.425 -10.349 34.712 406 3HG2 VAL 47 3HG2 VAL 47 -44.872 -9.880 33.815 407 H GLU 48 H GLU 48 -45.283 -5.568 35.016 408 HA GLU 48 HA GLU 48 -44.101 -4.319 37.373 409 1HB GLU 48 2HB GLU 48 -45.713 -3.255 35.060 410 2HB GLU 48 1HB GLU 48 -45.436 -2.298 36.506 411 1HG GLU 48 2HG GLU 48 -43.870 -1.722 34.743 412 2HG GLU 48 1HG GLU 48 -43.043 -2.393 36.142 413 H GLU 49 H GLU 49 -45.663 -2.899 38.617 414 HA GLU 49 HA GLU 49 -47.864 -4.548 39.516 415 1HB GLU 49 2HB GLU 49 -48.130 -2.837 41.303 416 2HB GLU 49 1HB GLU 49 -46.536 -3.571 41.261 417 1HG GLU 49 2HG GLU 49 -47.128 -0.920 39.974 418 2HG GLU 49 1HG GLU 49 -46.635 -1.078 41.660 419 H ILE 50 H ILE 50 -47.327 -1.799 37.572 420 HA ILE 50 HA ILE 50 -49.937 -0.688 37.685 421 HB ILE 50 HB ILE 50 -47.978 -0.466 35.401 422 1HG1 ILE 50 2HG1 ILE 50 -46.849 0.131 37.479 423 2HG1 ILE 50 1HG1 ILE 50 -47.142 1.573 36.514 424 1HG2 ILE 50 1HG2 ILE 50 -50.193 1.374 36.300 425 2HG2 ILE 50 2HG2 ILE 50 -50.198 0.357 34.859 426 3HG2 ILE 50 3HG2 ILE 50 -49.061 1.700 34.991 427 1HD1 ILE 50 1HD1 ILE 50 -49.046 2.129 37.922 428 2HD1 ILE 50 2HD1 ILE 50 -47.563 1.973 38.864 429 3HD1 ILE 50 3HD1 ILE 50 -48.761 0.678 38.883 430 H LYS 51 H LYS 51 -48.663 -3.453 36.248 431 HA LYS 51 HA LYS 51 -50.634 -3.782 34.196 432 1HB LYS 51 2HB LYS 51 -48.449 -5.482 35.379 433 2HB LYS 51 1HB LYS 51 -49.598 -6.131 34.233 434 1HG LYS 51 2HG LYS 51 -48.891 -4.648 32.522 435 2HG LYS 51 1HG LYS 51 -47.956 -3.688 33.664 436 1HD LYS 51 2HD LYS 51 -46.402 -5.531 33.974 437 2HD LYS 51 1HD LYS 51 -47.364 -6.546 32.897 438 1HE LYS 51 2HE LYS 51 -46.872 -5.154 31.020 439 2HE LYS 51 1HE LYS 51 -46.140 -3.927 32.049 440 1HZ LYS 51 1HZ LYS 51 -44.296 -5.322 32.485 441 2HZ LYS 51 2HZ LYS 51 -44.549 -5.369 30.806 442 3HZ LYS 51 3HZ LYS 51 -45.042 -6.668 31.768 443 H LYS 52 H LYS 52 -52.250 -5.564 34.293 444 HA LYS 52 HA LYS 52 -53.845 -5.015 36.497 445 1HB LYS 52 2HB LYS 52 -55.493 -6.328 35.505 446 2HB LYS 52 1HB LYS 52 -54.571 -5.685 34.166 447 1HG LYS 52 2HG LYS 52 -53.482 -7.791 33.825 448 2HG LYS 52 1HG LYS 52 -54.205 -8.452 35.293 449 1HD LYS 52 2HD LYS 52 -56.456 -7.947 34.203 450 2HD LYS 52 1HD LYS 52 -55.554 -7.725 32.708 451 1HE LYS 52 2HE LYS 52 -55.552 -10.225 34.391 452 2HE LYS 52 1HE LYS 52 -56.495 -9.992 32.921 453 1HZ LYS 52 1HZ LYS 52 -54.553 -11.188 32.351 454 2HZ LYS 52 2HZ LYS 52 -53.540 -10.109 33.171 455 3HZ LYS 52 3HZ LYS 52 -54.338 -9.614 31.756 456 H ILE 53 H ILE 53 -53.878 -5.773 38.463 457 HA ILE 53 HA ILE 53 -53.107 -8.525 38.997 458 HB ILE 53 HB ILE 53 -51.308 -7.223 39.828 459 1HG1 ILE 53 2HG1 ILE 53 -53.094 -7.522 42.215 460 2HG1 ILE 53 1HG1 ILE 53 -52.450 -8.897 41.336 461 1HG2 ILE 53 1HG2 ILE 53 -52.260 -5.017 39.696 462 2HG2 ILE 53 2HG2 ILE 53 -51.612 -5.279 41.316 463 3HG2 ILE 53 3HG2 ILE 53 -53.352 -5.368 41.034 464 1HD1 ILE 53 1HD1 ILE 53 -50.177 -8.161 41.825 465 2HD1 ILE 53 2HD1 ILE 53 -51.106 -8.378 43.308 466 3HD1 ILE 53 3HD1 ILE 53 -50.815 -6.757 42.677 467 H ARG 54 H ARG 54 -54.425 -9.578 40.511 468 HA ARG 54 HA ARG 54 -56.938 -8.176 41.064 469 1HB ARG 54 2HB ARG 54 -57.857 -10.506 41.405 470 2HB ARG 54 1HB ARG 54 -57.384 -10.093 39.765 471 1HG ARG 54 2HG ARG 54 -55.341 -11.358 39.990 472 2HG ARG 54 1HG ARG 54 -55.703 -11.692 41.686 473 1HD ARG 54 2HD ARG 54 -56.238 -13.547 40.048 474 2HD ARG 54 1HD ARG 54 -57.548 -13.058 41.123 475 HE ARG 54 HE ARG 54 -57.746 -11.570 38.754 476 1HH1 ARG 54 1HH1 ARG 54 -58.024 -14.905 39.777 477 2HH1 ARG 54 2HH1 ARG 54 -59.257 -15.298 38.625 478 1HH2 ARG 54 1HH2 ARG 54 -59.380 -12.066 37.243 479 2HH2 ARG 54 2HH2 ARG 54 -60.037 -13.674 37.173 480 H ASP 55 H ASP 55 -58.079 -9.523 42.976 481 HA ASP 55 HA ASP 55 -58.273 -9.894 45.199 482 1HB ASP 55 2HB ASP 55 -55.853 -11.039 44.711 483 2HB ASP 55 1HB ASP 55 -55.400 -9.796 45.875 484 H GLY 56 H GLY 56 -56.989 -8.845 47.410 485 1HA GLY 56 2HA GLY 56 -56.471 -6.048 46.984 486 2HA GLY 56 1HA GLY 56 -58.101 -6.345 47.569 487 H THR 57 H THR 57 -57.867 -5.384 49.539 488 HA THR 57 HA THR 57 -56.469 -6.865 51.566 489 HB THR 57 HB THR 57 -54.650 -5.430 50.627 490 HG1 THR 57 HG1 THR 57 -54.190 -4.410 52.799 491 1HG2 THR 57 1HG2 THR 57 -56.337 -3.151 51.670 492 2HG2 THR 57 2HG2 THR 57 -55.984 -3.492 49.976 493 3HG2 THR 57 3HG2 THR 57 -54.682 -3.018 51.068 494 H TRP 58 H TRP 58 -56.680 -5.549 53.735 495 HA TRP 58 HA TRP 58 -59.485 -4.687 53.860 496 1HB TRP 58 2HB TRP 58 -58.754 -6.656 55.219 497 2HB TRP 58 1HB TRP 58 -57.659 -5.599 56.100 498 HD1 TRP 58 HD1 TRP 58 -61.456 -6.028 55.487 499 HE1 TRP 58 HE1 TRP 58 -62.696 -5.187 57.577 500 HE3 TRP 58 HE3 TRP 58 -57.453 -4.287 58.161 501 HZ2 TRP 58 HZ2 TRP 58 -62.065 -3.956 60.033 502 HZ3 TRP 58 HZ3 TRP 58 -57.863 -3.295 60.377 503 HH2 TRP 58 HH2 TRP 58 -60.120 -3.133 61.289 504 H MET 59 H MET 59 -60.072 -2.780 54.873 505 HA MET 59 HA MET 59 -57.870 -0.858 55.225 506 1HB MET 59 2HB MET 59 -60.757 -0.350 54.475 507 2HB MET 59 1HB MET 59 -59.539 0.893 54.704 508 1HG MET 59 2HG MET 59 -58.256 -0.009 52.832 509 2HG MET 59 1HG MET 59 -59.479 -1.256 52.600 510 1HE MET 59 1HE MET 59 -61.998 -0.739 51.905 511 2HE MET 59 2HE MET 59 -62.610 0.880 51.570 512 3HE MET 59 3HE MET 59 -62.159 0.434 53.214 513 H SER 60 H SER 60 -57.925 0.602 56.952 514 HA SER 60 HA SER 60 -59.475 -0.304 59.253 515 1HB SER 60 2HB SER 60 -57.446 1.929 59.122 516 2HB SER 60 1HB SER 60 -58.045 1.125 60.568 517 HG SER 60 HG SER 60 -57.026 -0.654 58.796 518 H SER 61 H SER 61 -61.475 0.453 59.353 519 HA SER 61 HA SER 61 -62.131 3.051 58.208 520 1HB SER 61 2HB SER 61 -63.959 0.898 59.290 521 2HB SER 61 1HB SER 61 -64.455 2.330 58.388 522 HG SER 61 HG SER 61 -64.096 1.242 56.645 523 H LEU 62 H LEU 62 -60.772 2.621 60.869 524 HA LEU 62 HA LEU 62 -60.707 3.516 62.917 525 1HB LEU 62 2HB LEU 62 -63.057 5.158 61.996 526 2HB LEU 62 1HB LEU 62 -62.076 5.453 63.410 527 HG LEU 62 HG LEU 62 -61.063 5.568 60.576 528 1HD1 LEU 62 1HD1 LEU 62 -61.760 7.782 62.500 529 2HD1 LEU 62 2HD1 LEU 62 -62.617 7.379 61.012 530 3HD1 LEU 62 3HD1 LEU 62 -60.966 7.993 60.941 531 1HD2 LEU 62 1HD2 LEU 62 -59.332 4.943 62.164 532 2HD2 LEU 62 2HD2 LEU 62 -59.757 6.312 63.191 533 3HD2 LEU 62 3HD2 LEU 62 -59.077 6.590 61.587 534 H GLU 63 H GLU 63 -62.212 3.995 64.924 535 HA GLU 63 HA GLU 63 -64.165 1.817 65.044 536 1HB GLU 63 2HB GLU 63 -63.256 1.593 67.484 537 2HB GLU 63 1HB GLU 63 -62.409 0.828 66.153 538 1HG GLU 63 2HG GLU 63 -60.797 1.845 67.577 539 2HG GLU 63 1HG GLU 63 -60.880 2.796 66.094 540 H HIS 64 H HIS 64 -64.929 2.118 67.702 541 HA HIS 64 HA HIS 64 -66.239 4.755 67.608 542 1HB HIS 64 2HB HIS 64 -67.769 2.880 67.052 543 2HB HIS 64 1HB HIS 64 -67.406 2.143 68.608 544 HD1 HIS 64 HD1 HIS 64 -68.691 2.978 70.624 545 HD2 HIS 64 HD2 HIS 64 -69.309 5.289 67.218 546 HE1 HIS 64 HE1 HIS 64 -70.592 4.527 71.189 547 HE2 HIS 64 HE2 HIS 64 -70.846 6.014 69.171 548 H HIS 65 H HIS 65 -65.302 5.966 69.152 549 HA HIS 65 HA HIS 65 -64.665 6.732 71.184 550 1HB HIS 65 2HB HIS 65 -66.641 4.635 71.896 551 2HB HIS 65 1HB HIS 65 -65.605 5.226 73.189 552 HD1 HIS 65 HD1 HIS 65 -67.168 7.298 70.399 553 HD2 HIS 65 HD2 HIS 65 -67.307 6.837 74.532 554 HE1 HIS 65 HE1 HIS 65 -68.641 9.156 71.243 555 HE2 HIS 65 HE2 HIS 65 -68.700 8.869 73.750 556 H HIS 66 H HIS 66 -62.502 6.464 71.097 557 HA HIS 66 HA HIS 66 -61.322 3.868 71.543 558 1HB HIS 66 2HB HIS 66 -60.466 5.700 69.930 559 2HB HIS 66 1HB HIS 66 -59.779 6.448 71.367 560 HD1 HIS 66 HD1 HIS 66 -57.519 5.616 72.089 561 HD2 HIS 66 HD2 HIS 66 -59.424 3.019 69.450 562 HE1 HIS 66 HE1 HIS 66 -55.815 3.854 71.512 563 HE2 HIS 66 HE2 HIS 66 -56.977 2.302 69.893 564 H HIS 67 H HIS 67 -62.636 5.945 73.572 565 HA HIS 67 HA HIS 67 -60.627 6.001 75.642 566 1HB HIS 67 2HB HIS 67 -62.387 7.783 75.391 567 2HB HIS 67 1HB HIS 67 -63.590 6.596 75.883 568 HD1 HIS 67 HD1 HIS 67 -60.810 8.721 77.202 569 HD2 HIS 67 HD2 HIS 67 -63.623 6.000 78.625 570 HE1 HIS 67 HE1 HIS 67 -60.767 8.945 79.710 571 HE2 HIS 67 HE2 HIS 67 -62.481 7.303 80.557 572 H HIS 68 H HIS 68 -60.100 3.859 76.028 573 HA HIS 68 HA HIS 68 -62.210 2.212 77.229 574 1HB HIS 68 2HB HIS 68 -61.932 1.576 74.830 575 2HB HIS 68 1HB HIS 68 -60.247 1.197 75.161 576 HD1 HIS 68 HD1 HIS 68 -63.727 -0.079 75.713 577 HD2 HIS 68 HD2 HIS 68 -59.804 -1.215 76.505 578 HE1 HIS 68 HE1 HIS 68 -63.846 -2.484 76.438 579 HE2 HIS 68 HE2 HIS 68 -61.448 -3.204 76.697 580 H HIS 69 H HIS 69 -61.557 1.862 79.225 581 HA HIS 69 HA HIS 69 -58.740 1.120 79.650 582 1HB HIS 69 2HB HIS 69 -59.156 1.765 82.076 583 2HB HIS 69 1HB HIS 69 -59.070 3.086 80.924 584 HD1 HIS 69 HD1 HIS 69 -61.533 1.218 83.096 585 HD2 HIS 69 HD2 HIS 69 -61.357 4.630 80.720 586 HE1 HIS 69 HE1 HIS 69 -63.626 2.516 83.613 587 HE2 HIS 69 HE2 HIS 69 -63.586 4.477 82.030 588 1H MET 1 1H MET 1 1.470 -20.098 9.817 589 2H MET 1 2H MET 1 -0.147 -19.593 9.915 590 3H MET 1 3H MET 1 0.841 -19.524 11.286 591 HA MET 1 HA MET 1 0.500 -17.341 10.305 592 1HB MET 1 2HB MET 1 3.336 -18.346 9.979 593 2HB MET 1 1HB MET 1 2.853 -16.669 10.173 594 1HG MET 1 2HG MET 1 3.638 -17.300 12.266 595 2HG MET 1 1HG MET 1 1.883 -17.390 12.418 596 1HE MET 1 1HE MET 1 2.155 -18.803 14.618 597 2HE MET 1 2HE MET 1 3.913 -18.765 14.481 598 3HE MET 1 3HE MET 1 3.079 -20.300 14.725 599 HA PRO 2 HA PRO 2 0.439 -17.719 5.790 600 1HB PRO 2 2HB PRO 2 -1.262 -15.674 5.363 601 2HB PRO 2 1HB PRO 2 -1.830 -17.262 5.896 602 1HG PRO 2 2HG PRO 2 -1.377 -14.776 7.497 603 2HG PRO 2 1HG PRO 2 -2.715 -15.936 7.586 604 1HD PRO 2 2HD PRO 2 -0.598 -15.922 9.319 605 2HD PRO 2 1HD PRO 2 -1.538 -17.375 8.923 606 H LYS 3 H LYS 3 1.642 -16.591 4.290 607 HA LYS 3 HA LYS 3 3.074 -14.259 5.325 608 1HB LYS 3 2HB LYS 3 3.637 -16.015 2.937 609 2HB LYS 3 1HB LYS 3 4.590 -14.608 3.384 610 1HG LYS 3 2HG LYS 3 5.073 -15.715 5.564 611 2HG LYS 3 1HG LYS 3 4.257 -17.153 4.945 612 1HD LYS 3 2HD LYS 3 5.846 -17.189 3.054 613 2HD LYS 3 1HD LYS 3 6.688 -15.813 3.768 614 1HE LYS 3 2HE LYS 3 7.166 -17.155 5.768 615 2HE LYS 3 1HE LYS 3 6.332 -18.526 5.041 616 1HZ LYS 3 1HZ LYS 3 8.651 -18.826 4.704 617 2HZ LYS 3 2HZ LYS 3 8.844 -17.253 4.098 618 3HZ LYS 3 3HZ LYS 3 7.987 -18.406 3.199 619 H ILE 4 H ILE 4 3.177 -12.357 4.218 620 HA ILE 4 HA ILE 4 0.932 -11.827 2.488 621 HB ILE 4 HB ILE 4 1.401 -9.505 2.826 622 1HG1 ILE 4 2HG1 ILE 4 3.911 -9.729 2.899 623 2HG1 ILE 4 1HG1 ILE 4 3.210 -8.616 4.052 624 1HG2 ILE 4 1HG2 ILE 4 0.062 -10.598 4.504 625 2HG2 ILE 4 2HG2 ILE 4 1.043 -9.329 5.236 626 3HG2 ILE 4 3HG2 ILE 4 1.512 -11.018 5.416 627 1HD1 ILE 4 1HD1 ILE 4 4.480 -11.268 4.549 628 2HD1 ILE 4 2HD1 ILE 4 3.356 -10.571 5.714 629 3HD1 ILE 4 3HD1 ILE 4 4.830 -9.705 5.285 630 H ILE 5 H ILE 5 1.108 -11.201 0.390 631 HA ILE 5 HA ILE 5 3.749 -11.364 -0.817 632 HB ILE 5 HB ILE 5 2.513 -11.562 -2.918 633 1HG1 ILE 5 2HG1 ILE 5 0.003 -11.688 -1.276 634 2HG1 ILE 5 1HG1 ILE 5 0.536 -10.222 -2.092 635 1HG2 ILE 5 1HG2 ILE 5 1.668 -13.506 -0.792 636 2HG2 ILE 5 2HG2 ILE 5 3.124 -13.592 -1.784 637 3HG2 ILE 5 3HG2 ILE 5 1.539 -13.796 -2.527 638 1HD1 ILE 5 1HD1 ILE 5 -1.134 -11.367 -3.396 639 2HD1 ILE 5 2HD1 ILE 5 -0.157 -12.836 -3.397 640 3HD1 ILE 5 3HD1 ILE 5 0.418 -11.392 -4.233 641 H GLU 6 H GLU 6 4.197 -9.827 -2.588 642 HA GLU 6 HA GLU 6 2.996 -7.197 -2.070 643 1HB GLU 6 2HB GLU 6 5.750 -7.879 -3.123 644 2HB GLU 6 1HB GLU 6 5.110 -6.254 -2.953 645 1HG GLU 6 2HG GLU 6 4.857 -6.701 -0.501 646 2HG GLU 6 1HG GLU 6 5.727 -8.213 -0.757 647 H ALA 7 H ALA 7 2.714 -5.805 -3.937 648 HA ALA 7 HA ALA 7 2.860 -7.099 -6.555 649 1HB ALA 7 1HB ALA 7 0.581 -7.561 -5.720 650 2HB ALA 7 2HB ALA 7 0.573 -6.504 -7.132 651 3HB ALA 7 3HB ALA 7 0.311 -5.830 -5.523 652 H VAL 8 H VAL 8 2.803 -5.614 -8.321 653 HA VAL 8 HA VAL 8 3.293 -2.831 -7.545 654 HB VAL 8 HB VAL 8 4.527 -2.674 -9.724 655 1HG1 VAL 8 1HG1 VAL 8 5.684 -2.800 -7.599 656 2HG1 VAL 8 2HG1 VAL 8 6.575 -3.683 -8.840 657 3HG1 VAL 8 3HG1 VAL 8 5.610 -4.560 -7.652 658 1HG2 VAL 8 1HG2 VAL 8 5.392 -4.748 -10.706 659 2HG2 VAL 8 2HG2 VAL 8 3.635 -4.635 -10.836 660 3HG2 VAL 8 3HG2 VAL 8 4.365 -5.674 -9.611 661 H TYR 9 H TYR 9 1.944 -1.384 -8.227 662 HA TYR 9 HA TYR 9 -0.243 -2.089 -10.061 663 1HB TYR 9 2HB TYR 9 -0.604 -0.993 -7.823 664 2HB TYR 9 1HB TYR 9 0.253 0.419 -8.420 665 HD1 TYR 9 HD1 TYR 9 -2.694 -1.725 -9.162 666 HD2 TYR 9 HD2 TYR 9 -0.964 2.148 -9.413 667 HE1 TYR 9 HE1 TYR 9 -4.847 -0.824 -9.907 668 HE2 TYR 9 HE2 TYR 9 -3.119 3.064 -10.173 669 HH TYR 9 HH TYR 9 -6.039 1.169 -10.102 670 H GLU 10 H GLU 10 0.233 -1.871 -12.099 671 HA GLU 10 HA GLU 10 1.266 0.722 -13.010 672 1HB GLU 10 2HB GLU 10 2.384 -0.448 -14.851 673 2HB GLU 10 1HB GLU 10 3.035 -0.912 -13.295 674 1HG GLU 10 2HG GLU 10 1.931 -3.013 -13.377 675 2HG GLU 10 1HG GLU 10 0.992 -2.532 -14.791 676 H ASN 11 H ASN 11 0.055 1.682 -14.534 677 HA ASN 11 HA ASN 11 -1.455 2.050 -16.183 678 1HB ASN 11 2HB ASN 11 -0.146 -0.010 -17.111 679 2HB ASN 11 1HB ASN 11 -1.622 -0.889 -16.746 680 1HD2 ASN 11 1HD2 ASN 11 -0.169 1.562 -18.722 681 2HD2 ASN 11 2HD2 ASN 11 -1.431 1.641 -19.902 682 H GLY 12 H GLY 12 -2.235 0.982 -13.386 683 1HA GLY 12 2HA GLY 12 -4.399 1.088 -12.426 684 2HA GLY 12 1HA GLY 12 -5.087 0.732 -14.005 685 H VAL 13 H VAL 13 -2.458 -1.218 -13.308 686 HA VAL 13 HA VAL 13 -4.234 -3.487 -12.609 687 HB VAL 13 HB VAL 13 -1.487 -3.643 -13.795 688 1HG1 VAL 13 1HG1 VAL 13 -2.219 -5.871 -14.538 689 2HG1 VAL 13 2HG1 VAL 13 -3.766 -5.611 -13.728 690 3HG1 VAL 13 3HG1 VAL 13 -2.275 -5.680 -12.787 691 1HG2 VAL 13 1HG2 VAL 13 -2.527 -3.957 -16.014 692 2HG2 VAL 13 2HG2 VAL 13 -2.820 -2.345 -15.361 693 3HG2 VAL 13 3HG2 VAL 13 -4.097 -3.563 -15.319 694 H PHE 14 H PHE 14 -3.654 -4.747 -10.826 695 HA PHE 14 HA PHE 14 -1.064 -4.095 -9.574 696 1HB PHE 14 2HB PHE 14 -3.552 -5.405 -8.499 697 2HB PHE 14 1HB PHE 14 -2.013 -5.603 -7.696 698 HD1 PHE 14 HD1 PHE 14 -4.937 -3.645 -7.935 699 HD2 PHE 14 HD2 PHE 14 -0.793 -3.441 -7.007 700 HE1 PHE 14 HE1 PHE 14 -5.334 -1.589 -6.640 701 HE2 PHE 14 HE2 PHE 14 -1.174 -1.377 -5.726 702 HZ PHE 14 HZ PHE 14 -3.445 -0.444 -5.534 703 H LYS 15 H LYS 15 0.522 -5.410 -10.183 704 HA LYS 15 HA LYS 15 -0.079 -8.259 -10.638 705 1HB LYS 15 2HB LYS 15 2.096 -6.497 -11.769 706 2HB LYS 15 1HB LYS 15 2.083 -8.239 -11.919 707 1HG LYS 15 2HG LYS 15 -0.047 -8.092 -13.146 708 2HG LYS 15 1HG LYS 15 0.053 -6.333 -13.040 709 1HD LYS 15 2HD LYS 15 1.976 -8.186 -14.438 710 2HD LYS 15 1HD LYS 15 0.889 -7.014 -15.188 711 1HE LYS 15 2HE LYS 15 2.095 -5.197 -14.080 712 2HE LYS 15 1HE LYS 15 3.190 -6.367 -13.347 713 1HZ LYS 15 1HZ LYS 15 4.113 -5.295 -15.333 714 2HZ LYS 15 2HZ LYS 15 2.866 -5.946 -16.270 715 3HZ LYS 15 3HZ LYS 15 3.990 -6.976 -15.525 716 HA PRO 16 HA PRO 16 2.183 -8.660 -6.791 717 1HB PRO 16 2HB PRO 16 2.393 -11.494 -7.490 718 2HB PRO 16 1HB PRO 16 1.630 -10.728 -6.099 719 1HG PRO 16 2HG PRO 16 0.267 -11.864 -8.206 720 2HG PRO 16 1HG PRO 16 -0.405 -10.664 -7.098 721 1HD PRO 16 2HD PRO 16 0.396 -10.367 -9.899 722 2HD PRO 16 1HD PRO 16 -0.651 -9.342 -8.906 723 H LEU 17 H LEU 17 4.147 -9.586 -6.078 724 HA LEU 17 HA LEU 17 6.148 -10.028 -8.154 725 1HB LEU 17 2HB LEU 17 6.473 -9.043 -5.307 726 2HB LEU 17 1HB LEU 17 7.812 -9.528 -6.328 727 HG LEU 17 HG LEU 17 6.895 -7.697 -7.949 728 1HD1 LEU 17 1HD1 LEU 17 5.876 -5.814 -6.769 729 2HD1 LEU 17 2HD1 LEU 17 5.755 -6.806 -5.313 730 3HD1 LEU 17 3HD1 LEU 17 4.843 -7.244 -6.757 731 1HD2 LEU 17 1HD2 LEU 17 9.063 -7.643 -6.829 732 2HD2 LEU 17 2HD2 LEU 17 8.297 -7.000 -5.375 733 3HD2 LEU 17 3HD2 LEU 17 8.316 -6.046 -6.859 734 H GLN 18 H GLN 18 6.135 -12.012 -8.421 735 HA GLN 18 HA GLN 18 6.698 -14.230 -8.195 736 1HB GLN 18 2HB GLN 18 7.222 -15.242 -6.224 737 2HB GLN 18 1HB GLN 18 7.708 -13.600 -5.892 738 1HG GLN 18 2HG GLN 18 5.725 -13.214 -4.611 739 2HG GLN 18 1HG GLN 18 5.076 -14.782 -5.048 740 1HE2 GLN 18 1HE2 GLN 18 4.836 -15.325 -2.885 741 2HE2 GLN 18 2HE2 GLN 18 6.176 -15.715 -1.870 742 H LYS 19 H LYS 19 4.161 -12.574 -7.773 743 HA LYS 19 HA LYS 19 1.943 -12.811 -7.876 744 1HB LYS 19 2HB LYS 19 2.692 -15.532 -8.940 745 2HB LYS 19 1HB LYS 19 1.152 -14.727 -9.118 746 1HG LYS 19 2HG LYS 19 2.287 -12.904 -10.358 747 2HG LYS 19 1HG LYS 19 3.762 -13.870 -10.308 748 1HD LYS 19 2HD LYS 19 2.638 -14.205 -12.429 749 2HD LYS 19 1HD LYS 19 2.578 -15.690 -11.478 750 1HE LYS 19 2HE LYS 19 0.430 -15.271 -12.533 751 2HE LYS 19 1HE LYS 19 0.295 -15.152 -10.780 752 1HZ LYS 19 1HZ LYS 19 0.419 -12.729 -10.998 753 2HZ LYS 19 2HZ LYS 19 -0.903 -13.350 -11.847 754 3HZ LYS 19 3HZ LYS 19 0.491 -12.868 -12.684 755 H VAL 20 H VAL 20 0.385 -15.187 -7.574 756 HA VAL 20 HA VAL 20 0.915 -16.098 -4.883 757 HB VAL 20 HB VAL 20 -0.237 -13.848 -4.822 758 1HG1 VAL 20 1HG1 VAL 20 -2.713 -13.894 -5.079 759 2HG1 VAL 20 2HG1 VAL 20 -2.523 -15.453 -5.886 760 3HG1 VAL 20 3HG1 VAL 20 -1.792 -14.007 -6.576 761 1HG2 VAL 20 1HG2 VAL 20 -1.663 -14.452 -2.963 762 2HG2 VAL 20 2HG2 VAL 20 -0.111 -15.285 -2.909 763 3HG2 VAL 20 3HG2 VAL 20 -1.558 -16.147 -3.437 764 H ASP 21 H ASP 21 -0.717 -17.561 -4.163 765 HA ASP 21 HA ASP 21 -1.619 -19.251 -6.379 766 1HB ASP 21 2HB ASP 21 -0.097 -20.235 -4.744 767 2HB ASP 21 1HB ASP 21 -1.214 -19.852 -3.450 768 H LEU 22 H LEU 22 -2.780 -16.846 -4.825 769 HA LEU 22 HA LEU 22 -5.421 -17.764 -4.162 770 1HB LEU 22 2HB LEU 22 -4.362 -14.987 -4.722 771 2HB LEU 22 1HB LEU 22 -5.938 -15.366 -4.071 772 HG LEU 22 HG LEU 22 -3.314 -15.932 -2.707 773 1HD1 LEU 22 1HD1 LEU 22 -4.010 -14.181 -1.142 774 2HD1 LEU 22 2HD1 LEU 22 -5.417 -13.850 -2.153 775 3HD1 LEU 22 3HD1 LEU 22 -3.793 -13.560 -2.777 776 1HD2 LEU 22 1HD2 LEU 22 -5.038 -17.579 -2.154 777 2HD2 LEU 22 2HD2 LEU 22 -6.144 -16.276 -1.717 778 3HD2 LEU 22 3HD2 LEU 22 -4.674 -16.541 -0.777 779 H LYS 23 H LYS 23 -7.339 -16.992 -5.473 780 HA LYS 23 HA LYS 23 -6.637 -17.014 -8.315 781 1HB LYS 23 2HB LYS 23 -7.887 -19.185 -6.820 782 2HB LYS 23 1HB LYS 23 -8.840 -18.687 -8.209 783 1HG LYS 23 2HG LYS 23 -7.335 -20.494 -8.807 784 2HG LYS 23 1HG LYS 23 -6.900 -19.015 -9.666 785 1HD LYS 23 2HD LYS 23 -5.216 -18.628 -7.779 786 2HD LYS 23 1HD LYS 23 -5.510 -20.309 -7.333 787 1HE LYS 23 2HE LYS 23 -4.694 -19.493 -10.109 788 2HE LYS 23 1HE LYS 23 -3.519 -19.844 -8.845 789 1HZ LYS 23 1HZ LYS 23 -5.627 -21.805 -9.449 790 2HZ LYS 23 2HZ LYS 23 -4.074 -22.054 -8.811 791 3HZ LYS 23 3HZ LYS 23 -4.267 -21.698 -10.457 792 H GLU 24 H GLU 24 -9.138 -17.280 -9.384 793 HA GLU 24 HA GLU 24 -9.874 -14.644 -9.568 794 1HB GLU 24 2HB GLU 24 -11.396 -17.156 -10.204 795 2HB GLU 24 1HB GLU 24 -11.963 -15.563 -10.627 796 1HG GLU 24 2HG GLU 24 -10.883 -16.700 -12.509 797 2HG GLU 24 1HG GLU 24 -10.071 -15.202 -12.065 798 H GLY 25 H GLY 25 -11.263 -13.355 -8.642 799 1HA GLY 25 2HA GLY 25 -13.117 -12.653 -7.443 800 2HA GLY 25 1HA GLY 25 -13.464 -14.330 -7.053 801 H GLU 26 H GLU 26 -10.225 -13.517 -6.394 802 HA GLU 26 HA GLU 26 -10.709 -13.814 -3.590 803 1HB GLU 26 2HB GLU 26 -8.763 -14.753 -4.873 804 2HB GLU 26 1HB GLU 26 -8.138 -13.115 -5.008 805 1HG GLU 26 2HG GLU 26 -7.130 -14.385 -3.203 806 2HG GLU 26 1HG GLU 26 -7.957 -12.941 -2.640 807 H ARG 27 H ARG 27 -10.627 -12.228 -2.007 808 HA ARG 27 HA ARG 27 -10.546 -9.494 -3.095 809 1HB ARG 27 2HB ARG 27 -12.810 -10.336 -2.540 810 2HB ARG 27 1HB ARG 27 -12.313 -10.424 -0.862 811 1HG ARG 27 2HG ARG 27 -12.138 -8.098 -0.677 812 2HG ARG 27 1HG ARG 27 -12.170 -7.878 -2.429 813 1HD ARG 27 2HD ARG 27 -14.481 -8.666 -2.488 814 2HD ARG 27 1HD ARG 27 -14.444 -8.910 -0.745 815 HE ARG 27 HE ARG 27 -13.865 -6.314 -0.889 816 1HH1 ARG 27 1HH1 ARG 27 -16.263 -8.176 -2.638 817 2HH1 ARG 27 2HH1 ARG 27 -17.432 -6.888 -2.669 818 1HH2 ARG 27 1HH2 ARG 27 -15.376 -4.601 -0.953 819 2HH2 ARG 27 2HH2 ARG 27 -16.924 -4.853 -1.712 820 H VAL 28 H VAL 28 -9.190 -8.238 -2.326 821 HA VAL 28 HA VAL 28 -8.053 -8.590 0.359 822 HB VAL 28 HB VAL 28 -5.784 -8.262 -0.514 823 1HG1 VAL 28 1HG1 VAL 28 -5.482 -10.446 -1.611 824 2HG1 VAL 28 2HG1 VAL 28 -7.229 -10.557 -1.836 825 3HG1 VAL 28 3HG1 VAL 28 -6.548 -10.546 -0.209 826 1HG2 VAL 28 1HG2 VAL 28 -7.074 -8.391 -3.235 827 2HG2 VAL 28 2HG2 VAL 28 -5.339 -8.369 -2.925 828 3HG2 VAL 28 3HG2 VAL 28 -6.328 -6.971 -2.502 829 H LYS 29 H LYS 29 -6.659 -6.603 0.934 830 HA LYS 29 HA LYS 29 -7.697 -4.244 -0.448 831 1HB LYS 29 2HB LYS 29 -7.470 -4.691 2.510 832 2HB LYS 29 1HB LYS 29 -7.654 -3.106 1.788 833 1HG LYS 29 2HG LYS 29 -9.668 -4.309 0.562 834 2HG LYS 29 1HG LYS 29 -9.600 -5.319 2.001 835 1HD LYS 29 2HD LYS 29 -9.506 -2.401 2.438 836 2HD LYS 29 1HD LYS 29 -11.020 -3.059 1.830 837 1HE LYS 29 2HE LYS 29 -9.592 -4.070 4.280 838 2HE LYS 29 1HE LYS 29 -10.900 -2.888 4.309 839 1HZ LYS 29 1HZ LYS 29 -11.111 -5.654 3.250 840 2HZ LYS 29 2HZ LYS 29 -12.364 -4.517 3.290 841 3HZ LYS 29 3HZ LYS 29 -11.721 -5.125 4.734 842 H ILE 30 H ILE 30 -6.363 -2.551 -0.690 843 HA ILE 30 HA ILE 30 -3.560 -3.366 -0.780 844 HB ILE 30 HB ILE 30 -4.326 -0.749 -1.859 845 1HG1 ILE 30 2HG1 ILE 30 -6.297 -2.068 -2.529 846 2HG1 ILE 30 1HG1 ILE 30 -5.298 -1.658 -3.917 847 1HG2 ILE 30 1HG2 ILE 30 -2.862 -1.495 -3.696 848 2HG2 ILE 30 2HG2 ILE 30 -2.688 -3.051 -2.885 849 3HG2 ILE 30 3HG2 ILE 30 -2.094 -1.581 -2.112 850 1HD1 ILE 30 1HD1 ILE 30 -4.362 -3.901 -3.917 851 2HD1 ILE 30 2HD1 ILE 30 -6.121 -3.931 -4.050 852 3HD1 ILE 30 3HD1 ILE 30 -5.347 -4.315 -2.513 853 H LYS 31 H LYS 31 -2.156 -2.647 0.512 854 HA LYS 31 HA LYS 31 -2.453 -0.030 1.778 855 1HB LYS 31 2HB LYS 31 -2.313 -2.387 3.087 856 2HB LYS 31 1HB LYS 31 -0.607 -2.034 2.938 857 1HG LYS 31 2HG LYS 31 -0.785 -0.781 4.743 858 2HG LYS 31 1HG LYS 31 -1.797 0.329 3.810 859 1HD LYS 31 2HD LYS 31 -3.018 -0.304 5.750 860 2HD LYS 31 1HD LYS 31 -3.759 -1.099 4.376 861 1HE LYS 31 2HE LYS 31 -2.573 -3.167 4.930 862 2HE LYS 31 1HE LYS 31 -1.819 -2.370 6.308 863 1HZ LYS 31 1HZ LYS 31 -4.750 -2.773 5.981 864 2HZ LYS 31 2HZ LYS 31 -3.969 -2.100 7.330 865 3HZ LYS 31 3HZ LYS 31 -3.734 -3.734 6.940 866 H LEU 32 H LEU 32 -0.967 1.352 1.047 867 HA LEU 32 HA LEU 32 1.177 0.508 -0.667 868 1HB LEU 32 2HB LEU 32 0.924 3.210 0.638 869 2HB LEU 32 1HB LEU 32 1.665 2.815 -0.898 870 HG LEU 32 HG LEU 32 -1.286 2.729 -0.309 871 1HD1 LEU 32 1HD1 LEU 32 -1.433 4.629 -1.839 872 2HD1 LEU 32 2HD1 LEU 32 0.325 4.656 -1.967 873 3HD1 LEU 32 3HD1 LEU 32 -0.451 5.008 -0.423 874 1HD2 LEU 32 1HD2 LEU 32 0.211 2.256 -2.879 875 2HD2 LEU 32 2HD2 LEU 32 -1.542 2.362 -2.716 876 3HD2 LEU 32 3HD2 LEU 32 -0.664 1.046 -1.938 877 H GLU 33 H GLU 33 3.074 -0.319 0.125 878 HA GLU 33 HA GLU 33 3.558 0.195 2.969 879 1HB GLU 33 2HB GLU 33 2.684 -2.323 1.702 880 2HB GLU 33 1HB GLU 33 3.927 -2.454 2.924 881 1HG GLU 33 2HG GLU 33 2.440 -1.189 4.480 882 2HG GLU 33 1HG GLU 33 1.188 -1.262 3.244 883 H LEU 34 H LEU 34 5.442 -1.029 3.775 884 HA LEU 34 HA LEU 34 7.608 -1.322 1.859 885 1HB LEU 34 2HB LEU 34 9.095 -0.033 3.172 886 2HB LEU 34 1HB LEU 34 7.674 0.953 2.921 887 HG LEU 34 HG LEU 34 8.080 -0.657 5.413 888 1HD1 LEU 34 1HD1 LEU 34 10.006 0.800 5.185 889 2HD1 LEU 34 2HD1 LEU 34 8.946 1.387 6.466 890 3HD1 LEU 34 3HD1 LEU 34 8.949 2.182 4.892 891 1HD2 LEU 34 1HD2 LEU 34 6.557 1.029 6.380 892 2HD2 LEU 34 2HD2 LEU 34 5.816 0.125 5.062 893 3HD2 LEU 34 3HD2 LEU 34 6.396 1.768 4.787 894 H LYS 35 H LYS 35 9.585 -2.277 3.225 895 HA LYS 35 HA LYS 35 8.481 -4.549 4.650 896 1HB LYS 35 2HB LYS 35 11.220 -3.971 3.527 897 2HB LYS 35 1HB LYS 35 10.818 -5.418 4.422 898 1HG LYS 35 2HG LYS 35 9.117 -5.971 2.732 899 2HG LYS 35 1HG LYS 35 9.607 -4.545 1.817 900 1HD LYS 35 2HD LYS 35 11.587 -6.662 2.579 901 2HD LYS 35 1HD LYS 35 10.579 -6.838 1.145 902 1HE LYS 35 2HE LYS 35 12.649 -5.908 0.444 903 2HE LYS 35 1HE LYS 35 11.454 -4.615 0.373 904 1HZ LYS 35 1HZ LYS 35 13.653 -3.998 1.351 905 2HZ LYS 35 2HZ LYS 35 13.294 -5.005 2.674 906 3HZ LYS 35 3HZ LYS 35 12.321 -3.655 2.340 907 H VAL 36 H VAL 36 9.567 -5.290 6.611 908 HA VAL 36 HA VAL 36 9.726 -3.214 8.535 909 HB VAL 36 HB VAL 36 8.906 -5.471 9.076 910 1HG1 VAL 36 1HG1 VAL 36 10.429 -6.805 7.759 911 2HG1 VAL 36 2HG1 VAL 36 10.488 -7.307 9.449 912 3HG1 VAL 36 3HG1 VAL 36 11.779 -6.311 8.779 913 1HG2 VAL 36 1HG2 VAL 36 9.967 -5.692 11.256 914 2HG2 VAL 36 2HG2 VAL 36 9.673 -3.998 10.869 915 3HG2 VAL 36 3HG2 VAL 36 11.298 -4.665 10.722 916 H GLU 37 H GLU 37 11.525 -2.670 9.858 917 HA GLU 37 HA GLU 37 13.849 -2.178 8.337 918 1HB GLU 37 2HB GLU 37 14.688 -1.212 10.483 919 2HB GLU 37 1HB GLU 37 13.179 -0.534 9.916 920 1HG GLU 37 2HG GLU 37 11.944 -1.754 11.551 921 2HG GLU 37 1HG GLU 37 13.369 -2.687 12.008 922 HA PRO 38 HA PRO 38 16.128 -5.869 9.389 923 1HB PRO 38 2HB PRO 38 18.484 -5.108 8.293 924 2HB PRO 38 1HB PRO 38 17.103 -5.606 7.307 925 1HG PRO 38 2HG PRO 38 18.052 -2.847 7.986 926 2HG PRO 38 1HG PRO 38 17.510 -3.491 6.427 927 1HD PRO 38 2HD PRO 38 15.915 -2.004 8.039 928 2HD PRO 38 1HD PRO 38 15.285 -3.269 6.961 929 H ILE 39 H ILE 39 18.931 -5.642 9.898 930 HA ILE 39 HA ILE 39 20.482 -5.121 11.466 931 HB ILE 39 HB ILE 39 18.565 -2.914 12.229 932 1HG1 ILE 39 2HG1 ILE 39 21.060 -2.829 10.525 933 2HG1 ILE 39 1HG1 ILE 39 19.409 -2.771 9.915 934 1HG2 ILE 39 1HG2 ILE 39 21.468 -3.250 12.979 935 2HG2 ILE 39 2HG2 ILE 39 20.091 -3.406 14.070 936 3HG2 ILE 39 3HG2 ILE 39 20.466 -1.843 13.342 937 1HD1 ILE 39 1HD1 ILE 39 19.057 -0.663 11.110 938 2HD1 ILE 39 2HD1 ILE 39 20.385 -0.561 9.955 939 3HD1 ILE 39 3HD1 ILE 39 20.727 -0.716 11.679 940 H ASP 40 H ASP 40 20.771 -5.205 13.890 941 HA ASP 40 HA ASP 40 20.626 -6.524 15.703 942 1HB ASP 40 2HB ASP 40 18.939 -4.890 16.318 943 2HB ASP 40 1HB ASP 40 17.717 -5.785 15.430 944 H LEU 41 H LEU 41 21.181 -8.130 13.990 945 HA LEU 41 HA LEU 41 19.268 -10.357 14.086 946 1HB LEU 41 2HB LEU 41 21.162 -9.683 11.822 947 2HB LEU 41 1HB LEU 41 20.109 -11.080 11.887 948 HG LEU 41 HG LEU 41 19.153 -8.219 11.782 949 1HD1 LEU 41 1HD1 LEU 41 18.517 -8.710 9.478 950 2HD1 LEU 41 2HD1 LEU 41 19.247 -10.310 9.610 951 3HD1 LEU 41 3HD1 LEU 41 20.260 -8.869 9.702 952 1HD2 LEU 41 1HD2 LEU 41 17.668 -10.831 11.547 953 2HD2 LEU 41 2HD2 LEU 41 16.970 -9.228 11.317 954 3HD2 LEU 41 3HD2 LEU 41 17.585 -9.704 12.901 955 H GLY 42 H GLY 42 20.118 -12.140 15.027 956 1HA GLY 42 2HA GLY 42 22.885 -11.954 15.884 957 2HA GLY 42 1HA GLY 42 21.676 -13.059 16.511 958 H GLU 43 H GLU 43 24.295 -12.698 14.616 959 HA GLU 43 HA GLU 43 23.882 -15.018 12.959 960 1HB GLU 43 2HB GLU 43 26.284 -14.616 12.323 961 2HB GLU 43 1HB GLU 43 25.196 -13.288 11.961 962 1HG GLU 43 2HG GLU 43 25.975 -12.126 13.981 963 2HG GLU 43 1HG GLU 43 27.085 -13.457 14.304 964 HA PRO 44 HA PRO 44 25.045 -17.655 16.368 965 1HB PRO 44 2HB PRO 44 25.079 -19.756 14.311 966 2HB PRO 44 1HB PRO 44 24.089 -19.635 15.768 967 1HG PRO 44 2HG PRO 44 23.047 -19.287 13.317 968 2HG PRO 44 1HG PRO 44 22.466 -18.370 14.720 969 1HD PRO 44 2HD PRO 44 24.301 -17.513 12.517 970 2HD PRO 44 1HD PRO 44 23.004 -16.603 13.321 971 H VAL 45 H VAL 45 27.091 -17.494 17.010 972 HA VAL 45 HA VAL 45 29.315 -17.735 15.257 973 HB VAL 45 HB VAL 45 29.598 -16.321 17.120 974 1HG1 VAL 45 1HG1 VAL 45 29.500 -17.081 19.458 975 2HG1 VAL 45 2HG1 VAL 45 29.007 -18.681 18.900 976 3HG1 VAL 45 3HG1 VAL 45 27.955 -17.291 18.634 977 1HG2 VAL 45 1HG2 VAL 45 31.228 -18.787 17.629 978 2HG2 VAL 45 2HG2 VAL 45 31.609 -17.156 18.184 979 3HG2 VAL 45 3HG2 VAL 45 31.600 -17.522 16.459 980 H SER 46 H SER 46 30.859 -19.321 15.200 981 HA SER 46 HA SER 46 29.767 -21.979 15.779 982 1HB SER 46 2HB SER 46 32.027 -21.342 13.908 983 2HB SER 46 1HB SER 46 31.012 -22.770 13.951 984 HG SER 46 HG SER 46 29.370 -20.760 13.635 985 H VAL 47 H VAL 47 31.267 -23.652 16.359 986 HA VAL 47 HA VAL 47 33.547 -22.691 17.953 987 HB VAL 47 HB VAL 47 31.654 -23.527 19.342 988 1HG1 VAL 47 1HG1 VAL 47 31.116 -25.916 19.363 989 2HG1 VAL 47 2HG1 VAL 47 32.172 -26.161 17.974 990 3HG1 VAL 47 3HG1 VAL 47 30.724 -25.165 17.817 991 1HG2 VAL 47 1HG2 VAL 47 32.971 -25.107 20.715 992 2HG2 VAL 47 2HG2 VAL 47 33.880 -23.671 20.249 993 3HG2 VAL 47 3HG2 VAL 47 34.163 -25.200 19.417 994 H GLU 48 H GLU 48 35.401 -24.108 17.976 995 HA GLU 48 HA GLU 48 35.890 -25.282 15.441 996 1HB GLU 48 2HB GLU 48 38.023 -26.133 16.576 997 2HB GLU 48 1HB GLU 48 37.796 -24.400 16.431 998 1HG GLU 48 2HG GLU 48 36.920 -25.763 18.925 999 2HG GLU 48 1HG GLU 48 38.641 -25.497 18.661 1000 H GLU 49 H GLU 49 35.153 -27.088 14.750 1001 HA GLU 49 HA GLU 49 34.334 -29.210 16.542 1002 1HB GLU 49 2HB GLU 49 34.188 -28.910 13.542 1003 2HB GLU 49 1HB GLU 49 33.623 -30.337 14.398 1004 1HG GLU 49 2HG GLU 49 32.019 -28.960 15.626 1005 2HG GLU 49 1HG GLU 49 32.579 -27.537 14.745 1006 H ILE 50 H ILE 50 36.970 -28.403 14.509 1007 HA ILE 50 HA ILE 50 37.990 -31.047 14.155 1008 HB ILE 50 HB ILE 50 38.441 -28.613 12.977 1009 1HG1 ILE 50 2HG1 ILE 50 38.695 -30.788 11.887 1010 2HG1 ILE 50 1HG1 ILE 50 40.092 -29.765 11.586 1011 1HG2 ILE 50 1HG2 ILE 50 39.930 -27.883 14.749 1012 2HG2 ILE 50 2HG2 ILE 50 40.799 -28.069 13.225 1013 3HG2 ILE 50 3HG2 ILE 50 40.956 -29.293 14.487 1014 1HD1 ILE 50 1HD1 ILE 50 41.363 -30.995 13.253 1015 2HD1 ILE 50 2HD1 ILE 50 40.734 -32.071 12.005 1016 3HD1 ILE 50 3HD1 ILE 50 39.956 -32.002 13.587 1017 H LYS 51 H LYS 51 38.002 -28.885 16.694 1018 HA LYS 51 HA LYS 51 40.479 -29.600 17.933 1019 1HB LYS 51 2HB LYS 51 39.314 -27.451 18.340 1020 2HB LYS 51 1HB LYS 51 38.000 -28.325 19.105 1021 1HG LYS 51 2HG LYS 51 39.512 -29.075 20.862 1022 2HG LYS 51 1HG LYS 51 40.839 -28.199 20.092 1023 1HD LYS 51 2HD LYS 51 39.597 -26.097 20.366 1024 2HD LYS 51 1HD LYS 51 38.288 -26.979 21.155 1025 1HE LYS 51 2HE LYS 51 39.791 -27.619 22.959 1026 2HE LYS 51 1HE LYS 51 41.129 -26.804 22.150 1027 1HZ LYS 51 1HZ LYS 51 38.668 -25.474 23.173 1028 2HZ LYS 51 2HZ LYS 51 39.972 -24.700 22.406 1029 3HZ LYS 51 3HZ LYS 51 40.196 -25.439 23.912 1030 H LYS 52 H LYS 52 40.869 -31.250 19.371 1031 HA LYS 52 HA LYS 52 38.602 -32.956 20.047 1032 1HB LYS 52 2HB LYS 52 39.900 -34.873 19.589 1033 2HB LYS 52 1HB LYS 52 40.045 -33.837 18.196 1034 1HG LYS 52 2HG LYS 52 42.127 -33.864 20.351 1035 2HG LYS 52 1HG LYS 52 42.128 -35.057 19.056 1036 1HD LYS 52 2HD LYS 52 42.265 -32.063 18.701 1037 2HD LYS 52 1HD LYS 52 43.619 -33.182 18.559 1038 1HE LYS 52 2HE LYS 52 42.248 -34.336 16.743 1039 2HE LYS 52 1HE LYS 52 41.220 -32.905 16.769 1040 1HZ LYS 52 1HZ LYS 52 43.268 -31.575 16.349 1041 2HZ LYS 52 2HZ LYS 52 42.848 -32.611 15.071 1042 3HZ LYS 52 3HZ LYS 52 44.112 -33.029 16.118 1043 H ILE 53 H ILE 53 38.848 -34.231 21.962 1044 HA ILE 53 HA ILE 53 40.565 -33.043 23.961 1045 HB ILE 53 HB ILE 53 38.219 -33.126 24.535 1046 1HG1 ILE 53 2HG1 ILE 53 39.635 -35.337 25.994 1047 2HG1 ILE 53 1HG1 ILE 53 39.947 -33.627 26.234 1048 1HG2 ILE 53 1HG2 ILE 53 37.532 -34.913 23.018 1049 2HG2 ILE 53 2HG2 ILE 53 36.962 -35.214 24.661 1050 3HG2 ILE 53 3HG2 ILE 53 38.355 -36.098 24.034 1051 1HD1 ILE 53 1HD1 ILE 53 38.484 -34.502 27.970 1052 2HD1 ILE 53 2HD1 ILE 53 37.339 -35.038 26.739 1053 3HD1 ILE 53 3HD1 ILE 53 37.634 -33.315 26.979 1054 H ARG 54 H ARG 54 41.980 -34.328 25.190 1055 HA ARG 54 HA ARG 54 43.125 -36.550 23.813 1056 1HB ARG 54 2HB ARG 54 43.691 -35.360 26.536 1057 2HB ARG 54 1HB ARG 54 44.633 -36.662 25.822 1058 1HG ARG 54 2HG ARG 54 44.263 -33.951 24.578 1059 2HG ARG 54 1HG ARG 54 45.656 -34.432 25.548 1060 1HD ARG 54 2HD ARG 54 46.325 -36.042 23.958 1061 2HD ARG 54 1HD ARG 54 44.784 -35.952 23.109 1062 HE ARG 54 HE ARG 54 45.542 -33.547 22.624 1063 1HH1 ARG 54 1HH1 ARG 54 47.753 -36.237 22.993 1064 2HH1 ARG 54 2HH1 ARG 54 48.879 -35.650 21.802 1065 1HH2 ARG 54 1HH2 ARG 54 47.014 -32.748 21.066 1066 2HH2 ARG 54 2HH2 ARG 54 48.454 -33.658 20.698 1067 H ASP 55 H ASP 55 43.031 -38.693 24.230 1068 HA ASP 55 HA ASP 55 41.281 -39.588 26.421 1069 1HB ASP 55 2HB ASP 55 40.293 -41.276 24.962 1070 2HB ASP 55 1HB ASP 55 40.056 -39.679 24.257 1071 H GLY 56 H GLY 56 41.487 -42.174 26.445 1072 1HA GLY 56 2HA GLY 56 42.965 -44.047 26.261 1073 2HA GLY 56 1HA GLY 56 44.310 -42.930 26.074 1074 H THR 57 H THR 57 41.851 -42.503 28.499 1075 HA THR 57 HA THR 57 43.889 -42.672 30.548 1076 HB THR 57 HB THR 57 41.842 -41.910 31.966 1077 HG1 THR 57 HG1 THR 57 40.094 -41.354 30.889 1078 1HG2 THR 57 1HG2 THR 57 42.261 -39.568 31.324 1079 2HG2 THR 57 2HG2 THR 57 43.090 -40.129 29.873 1080 3HG2 THR 57 3HG2 THR 57 43.761 -40.488 31.463 1081 H TRP 58 H TRP 58 44.274 -44.770 31.058 1082 HA TRP 58 HA TRP 58 42.049 -46.506 31.765 1083 1HB TRP 58 2HB TRP 58 44.996 -46.923 31.292 1084 2HB TRP 58 1HB TRP 58 43.964 -48.160 31.960 1085 HD1 TRP 58 HD1 TRP 58 41.705 -48.713 30.250 1086 HE1 TRP 58 HE1 TRP 58 41.783 -49.069 27.701 1087 HE3 TRP 58 HE3 TRP 58 46.165 -46.433 29.264 1088 HZ2 TRP 58 HZ2 TRP 58 43.518 -48.452 25.552 1089 HZ3 TRP 58 HZ3 TRP 58 46.967 -46.358 26.939 1090 HH2 TRP 58 HH2 TRP 58 45.670 -47.349 25.121 1091 H MET 59 H MET 59 42.812 -48.018 33.717 1092 HA MET 59 HA MET 59 44.409 -46.851 35.740 1093 1HB MET 59 2HB MET 59 42.639 -46.458 37.417 1094 2HB MET 59 1HB MET 59 42.520 -45.360 36.055 1095 1HG MET 59 2HG MET 59 40.333 -45.916 36.390 1096 2HG MET 59 1HG MET 59 40.796 -47.092 35.163 1097 1HE MET 59 1HE MET 59 38.281 -49.117 37.358 1098 2HE MET 59 2HE MET 59 38.686 -48.561 35.735 1099 3HE MET 59 3HE MET 59 38.193 -47.399 36.967 1100 H SER 60 H SER 60 44.690 -48.250 37.531 1101 HA SER 60 HA SER 60 43.863 -51.000 36.938 1102 1HB SER 60 2HB SER 60 46.293 -50.513 37.224 1103 2HB SER 60 1HB SER 60 45.970 -50.015 38.883 1104 HG SER 60 HG SER 60 45.833 -52.583 37.723 1105 H SER 61 H SER 61 42.554 -52.128 38.236 1106 HA SER 61 HA SER 61 41.482 -50.727 40.589 1107 1HB SER 61 2HB SER 61 40.234 -52.972 38.985 1108 2HB SER 61 1HB SER 61 39.461 -52.055 40.278 1109 HG SER 61 HG SER 61 40.483 -50.440 38.330 1110 H LEU 62 H LEU 62 43.731 -52.934 39.945 1111 HA LEU 62 HA LEU 62 42.990 -55.023 41.772 1112 1HB LEU 62 2HB LEU 62 44.296 -55.598 39.837 1113 2HB LEU 62 1HB LEU 62 45.531 -54.430 40.268 1114 HG LEU 62 HG LEU 62 45.996 -55.757 42.311 1115 1HD1 LEU 62 1HD1 LEU 62 43.866 -56.902 42.517 1116 2HD1 LEU 62 2HD1 LEU 62 45.188 -58.066 42.419 1117 3HD1 LEU 62 3HD1 LEU 62 44.167 -57.768 41.012 1118 1HD2 LEU 62 1HD2 LEU 62 46.314 -57.163 39.668 1119 2HD2 LEU 62 2HD2 LEU 62 47.207 -57.550 41.140 1120 3HD2 LEU 62 3HD2 LEU 62 47.413 -55.975 40.371 1121 H GLU 63 H GLU 63 43.052 -54.714 43.879 1122 HA GLU 63 HA GLU 63 45.404 -53.395 45.048 1123 1HB GLU 63 2HB GLU 63 43.158 -52.000 44.891 1124 2HB GLU 63 1HB GLU 63 42.708 -52.978 46.279 1125 1HG GLU 63 2HG GLU 63 45.167 -51.248 46.125 1126 2HG GLU 63 1HG GLU 63 43.643 -50.772 46.864 1127 H HIS 64 H HIS 64 46.268 -55.343 45.716 1128 HA HIS 64 HA HIS 64 44.524 -57.256 47.020 1129 1HB HIS 64 2HB HIS 64 46.587 -58.724 47.103 1130 2HB HIS 64 1HB HIS 64 45.964 -58.335 45.509 1131 HD1 HIS 64 HD1 HIS 64 47.848 -58.084 43.949 1132 HD2 HIS 64 HD2 HIS 64 48.788 -56.567 47.705 1133 HE1 HIS 64 HE1 HIS 64 50.187 -57.189 43.757 1134 HE2 HIS 64 HE2 HIS 64 50.817 -56.536 46.104 1135 H HIS 65 H HIS 65 44.178 -55.638 48.731 1136 HA HIS 65 HA HIS 65 46.082 -55.159 50.722 1137 1HB HIS 65 2HB HIS 65 44.070 -54.916 52.259 1138 2HB HIS 65 1HB HIS 65 44.131 -53.856 50.862 1139 HD1 HIS 65 HD1 HIS 65 41.505 -53.651 51.464 1140 HD2 HIS 65 HD2 HIS 65 42.761 -57.283 49.869 1141 HE1 HIS 65 HE1 HIS 65 39.420 -54.784 50.619 1142 HE2 HIS 65 HE2 HIS 65 40.223 -56.905 49.523 1143 H HIS 66 H HIS 66 46.862 -56.284 52.374 1144 HA HIS 66 HA HIS 66 46.343 -59.153 52.314 1145 1HB HIS 66 2HB HIS 66 48.665 -58.199 52.205 1146 2HB HIS 66 1HB HIS 66 48.459 -57.636 53.859 1147 HD1 HIS 66 HD1 HIS 66 47.724 -61.038 52.287 1148 HD2 HIS 66 HD2 HIS 66 49.917 -59.331 55.386 1149 HE1 HIS 66 HE1 HIS 66 48.819 -62.959 53.487 1150 HE2 HIS 66 HE2 HIS 66 50.342 -61.882 55.177 1151 H HIS 67 H HIS 67 45.758 -60.374 54.132 1152 HA HIS 67 HA HIS 67 44.926 -58.910 56.527 1153 1HB HIS 67 2HB HIS 67 43.017 -59.102 54.823 1154 2HB HIS 67 1HB HIS 67 43.056 -60.830 55.138 1155 HD1 HIS 67 HD1 HIS 67 41.790 -61.656 57.140 1156 HD2 HIS 67 HD2 HIS 67 42.228 -57.520 57.091 1157 HE1 HIS 67 HE1 HIS 67 40.348 -60.798 59.009 1158 HE2 HIS 67 HE2 HIS 67 40.417 -58.291 58.765 1159 H HIS 68 H HIS 68 44.925 -60.147 58.396 1160 HA HIS 68 HA HIS 68 45.827 -62.950 58.109 1161 1HB HIS 68 2HB HIS 68 46.299 -61.125 60.484 1162 2HB HIS 68 1HB HIS 68 46.927 -62.751 60.269 1163 HD1 HIS 68 HD1 HIS 68 48.766 -63.001 58.284 1164 HD2 HIS 68 HD2 HIS 68 47.899 -59.146 59.592 1165 HE1 HIS 68 HE1 HIS 68 50.701 -61.575 57.544 1166 HE2 HIS 68 HE2 HIS 68 50.255 -59.309 58.552 1167 H HIS 69 H HIS 69 45.393 -63.872 60.630 1168 HA HIS 69 HA HIS 69 42.738 -63.061 61.502 1169 1HB HIS 69 2HB HIS 69 42.319 -64.896 59.899 1170 2HB HIS 69 1HB HIS 69 43.382 -65.947 60.832 1171 HD1 HIS 69 HD1 HIS 69 42.321 -67.262 62.673 1172 HD2 HIS 69 HD2 HIS 69 39.934 -64.101 61.383 1173 HE1 HIS 69 HE1 HIS 69 40.124 -67.531 63.870 1174 HE2 HIS 69 HE2 HIS 69 38.753 -65.529 63.199 Start of MODEL 11 1 1H MET 1 1H MET 1 -4.003 8.352 6.041 2 2H MET 1 2H MET 1 -2.349 8.318 6.401 3 3H MET 1 3H MET 1 -3.478 8.553 7.645 4 HA MET 1 HA MET 1 -2.686 6.316 7.736 5 1HB MET 1 2HB MET 1 -5.497 6.721 6.739 6 2HB MET 1 1HB MET 1 -4.919 5.117 7.166 7 1HG MET 1 2HG MET 1 -4.461 5.890 9.431 8 2HG MET 1 1HG MET 1 -5.021 7.503 8.992 9 1HE MET 1 1HE MET 1 -6.128 3.704 8.997 10 2HE MET 1 2HE MET 1 -6.702 4.351 7.458 11 3HE MET 1 3HE MET 1 -7.859 3.880 8.701 12 HA PRO 2 HA PRO 2 -1.470 4.323 3.925 13 1HB PRO 2 2HB PRO 2 -1.474 1.740 4.839 14 2HB PRO 2 1HB PRO 2 -0.146 2.873 5.112 15 1HG PRO 2 2HG PRO 2 -2.354 2.057 6.950 16 2HG PRO 2 1HG PRO 2 -0.646 2.366 7.312 17 1HD PRO 2 2HD PRO 2 -2.607 4.157 7.853 18 2HD PRO 2 1HD PRO 2 -0.954 4.645 7.427 19 H LYS 3 H LYS 3 -3.055 4.349 2.440 20 HA LYS 3 HA LYS 3 -5.717 3.516 2.994 21 1HB LYS 3 2HB LYS 3 -4.414 4.184 0.353 22 2HB LYS 3 1HB LYS 3 -6.140 4.004 0.616 23 1HG LYS 3 2HG LYS 3 -6.083 5.910 2.164 24 2HG LYS 3 1HG LYS 3 -4.362 6.100 1.825 25 1HD LYS 3 2HD LYS 3 -4.912 6.389 -0.573 26 2HD LYS 3 1HD LYS 3 -6.623 6.316 -0.151 27 1HE LYS 3 2HE LYS 3 -6.363 8.294 1.261 28 2HE LYS 3 1HE LYS 3 -4.649 8.364 0.856 29 1HZ LYS 3 1HZ LYS 3 -6.874 8.615 -1.100 30 2HZ LYS 3 2HZ LYS 3 -5.217 8.767 -1.444 31 3HZ LYS 3 3HZ LYS 3 -5.988 9.913 -0.461 32 H ILE 4 H ILE 4 -6.896 1.838 2.075 33 HA ILE 4 HA ILE 4 -5.352 -0.252 0.750 34 HB ILE 4 HB ILE 4 -7.251 -1.765 1.410 35 1HG1 ILE 4 2HG1 ILE 4 -8.713 0.164 2.154 36 2HG1 ILE 4 1HG1 ILE 4 -8.684 -1.258 3.162 37 1HG2 ILE 4 1HG2 ILE 4 -6.315 -2.316 3.571 38 2HG2 ILE 4 2HG2 ILE 4 -5.473 -0.765 3.601 39 3HG2 ILE 4 3HG2 ILE 4 -5.057 -1.971 2.383 40 1HD1 ILE 4 1HD1 ILE 4 -7.174 -0.159 4.722 41 2HD1 ILE 4 2HD1 ILE 4 -8.664 0.761 4.507 42 3HD1 ILE 4 3HD1 ILE 4 -7.180 1.282 3.710 43 H ILE 5 H ILE 5 -6.040 -0.872 -1.196 44 HA ILE 5 HA ILE 5 -8.632 0.170 -2.126 45 HB ILE 5 HB ILE 5 -6.592 -1.109 -3.906 46 1HG1 ILE 5 2HG1 ILE 5 -5.447 0.747 -2.723 47 2HG1 ILE 5 1HG1 ILE 5 -5.628 1.069 -4.443 48 1HG2 ILE 5 1HG2 ILE 5 -7.673 0.238 -5.639 49 2HG2 ILE 5 2HG2 ILE 5 -8.764 0.895 -4.420 50 3HG2 ILE 5 3HG2 ILE 5 -8.807 -0.825 -4.808 51 1HD1 ILE 5 1HD1 ILE 5 -6.088 3.065 -3.167 52 2HD1 ILE 5 2HD1 ILE 5 -7.305 2.209 -2.222 53 3HD1 ILE 5 3HD1 ILE 5 -7.570 2.498 -3.941 54 H GLU 6 H GLU 6 -10.134 -1.313 -2.907 55 HA GLU 6 HA GLU 6 -9.560 -4.082 -2.213 56 1HB GLU 6 2HB GLU 6 -12.181 -2.672 -2.714 57 2HB GLU 6 1HB GLU 6 -12.035 -4.406 -2.487 58 1HG GLU 6 2HG GLU 6 -12.604 -3.674 -0.368 59 2HG GLU 6 1HG GLU 6 -10.858 -3.795 -0.279 60 H ALA 7 H ALA 7 -9.110 -5.463 -3.729 61 HA ALA 7 HA ALA 7 -9.857 -4.834 -6.514 62 1HB ALA 7 1HB ALA 7 -7.507 -4.225 -6.119 63 2HB ALA 7 2HB ALA 7 -7.635 -5.591 -7.228 64 3HB ALA 7 3HB ALA 7 -7.174 -5.858 -5.547 65 H VAL 8 H VAL 8 -9.734 -6.788 -7.913 66 HA VAL 8 HA VAL 8 -10.083 -9.277 -6.428 67 HB VAL 8 HB VAL 8 -11.383 -10.015 -8.477 68 1HG1 VAL 8 1HG1 VAL 8 -12.448 -9.483 -6.350 69 2HG1 VAL 8 2HG1 VAL 8 -13.456 -8.975 -7.705 70 3HG1 VAL 8 3HG1 VAL 8 -12.518 -7.780 -6.806 71 1HG2 VAL 8 1HG2 VAL 8 -11.455 -7.051 -9.002 72 2HG2 VAL 8 2HG2 VAL 8 -12.424 -8.267 -9.833 73 3HG2 VAL 8 3HG2 VAL 8 -10.670 -8.264 -10.013 74 H TYR 9 H TYR 9 -8.389 -10.512 -6.599 75 HA TYR 9 HA TYR 9 -6.441 -10.401 -8.710 76 1HB TYR 9 2HB TYR 9 -5.784 -11.071 -6.492 77 2HB TYR 9 1HB TYR 9 -6.984 -12.356 -6.459 78 HD1 TYR 9 HD1 TYR 9 -3.796 -11.280 -7.995 79 HD2 TYR 9 HD2 TYR 9 -6.486 -14.500 -7.311 80 HE1 TYR 9 HE1 TYR 9 -2.088 -12.866 -8.774 81 HE2 TYR 9 HE2 TYR 9 -4.795 -16.092 -8.100 82 HH TYR 9 HH TYR 9 -2.823 -16.163 -9.440 83 H GLU 10 H GLU 10 -7.096 -10.910 -10.680 84 HA GLU 10 HA GLU 10 -8.355 -13.537 -11.087 85 1HB GLU 10 2HB GLU 10 -8.696 -10.950 -12.571 86 2HB GLU 10 1HB GLU 10 -9.083 -12.489 -13.301 87 1HG GLU 10 2HG GLU 10 -10.641 -12.889 -11.362 88 2HG GLU 10 1HG GLU 10 -10.377 -11.201 -10.920 89 H ASN 11 H ASN 11 -7.227 -14.910 -12.259 90 HA ASN 11 HA ASN 11 -5.675 -15.831 -13.611 91 1HB ASN 11 2HB ASN 11 -6.254 -13.267 -15.060 92 2HB ASN 11 1HB ASN 11 -5.190 -14.496 -15.720 93 1HD2 ASN 11 1HD2 ASN 11 -6.492 -14.985 -17.458 94 2HD2 ASN 11 2HD2 ASN 11 -8.017 -15.790 -17.298 95 H GLY 12 H GLY 12 -4.680 -14.048 -11.413 96 1HA GLY 12 2HA GLY 12 -2.395 -14.102 -10.737 97 2HA GLY 12 1HA GLY 12 -1.930 -14.004 -12.426 98 H VAL 13 H VAL 13 -4.377 -11.803 -11.994 99 HA VAL 13 HA VAL 13 -2.456 -9.703 -11.199 100 HB VAL 13 HB VAL 13 -3.445 -8.142 -12.806 101 1HG1 VAL 13 1HG1 VAL 13 -2.386 -10.659 -14.078 102 2HG1 VAL 13 2HG1 VAL 13 -1.432 -9.312 -13.453 103 3HG1 VAL 13 3HG1 VAL 13 -2.474 -9.079 -14.856 104 1HG2 VAL 13 1HG2 VAL 13 -4.965 -10.520 -13.870 105 2HG2 VAL 13 2HG2 VAL 13 -4.898 -8.920 -14.610 106 3HG2 VAL 13 3HG2 VAL 13 -5.657 -9.130 -13.032 107 H PHE 14 H PHE 14 -3.237 -8.032 -9.953 108 HA PHE 14 HA PHE 14 -5.890 -8.489 -8.821 109 1HB PHE 14 2HB PHE 14 -3.632 -6.664 -7.987 110 2HB PHE 14 1HB PHE 14 -5.173 -6.768 -7.159 111 HD1 PHE 14 HD1 PHE 14 -1.979 -8.439 -7.783 112 HD2 PHE 14 HD2 PHE 14 -5.748 -8.690 -5.826 113 HE1 PHE 14 HE1 PHE 14 -1.120 -10.261 -6.364 114 HE2 PHE 14 HE2 PHE 14 -4.900 -10.511 -4.412 115 HZ PHE 14 HZ PHE 14 -2.584 -11.299 -4.672 116 H LYS 15 H LYS 15 -7.530 -7.472 -9.751 117 HA LYS 15 HA LYS 15 -7.100 -4.862 -11.018 118 1HB LYS 15 2HB LYS 15 -9.462 -6.740 -11.172 119 2HB LYS 15 1HB LYS 15 -9.266 -5.262 -12.081 120 1HG LYS 15 2HG LYS 15 -7.377 -6.246 -13.281 121 2HG LYS 15 1HG LYS 15 -7.568 -7.730 -12.342 122 1HD LYS 15 2HD LYS 15 -9.945 -7.814 -13.203 123 2HD LYS 15 1HD LYS 15 -9.494 -6.526 -14.320 124 1HE LYS 15 2HE LYS 15 -7.772 -7.963 -15.282 125 2HE LYS 15 1HE LYS 15 -8.193 -9.242 -14.142 126 1HZ LYS 15 1HZ LYS 15 -9.885 -8.143 -16.318 127 2HZ LYS 15 2HZ LYS 15 -10.471 -9.190 -15.124 128 3HZ LYS 15 3HZ LYS 15 -9.264 -9.716 -16.191 129 HA PRO 16 HA PRO 16 -9.090 -3.403 -7.238 130 1HB PRO 16 2HB PRO 16 -9.151 -0.761 -7.912 131 2HB PRO 16 1HB PRO 16 -7.725 -1.571 -7.250 132 1HG PRO 16 2HG PRO 16 -8.374 -0.898 -10.094 133 2HG PRO 16 1HG PRO 16 -6.827 -0.774 -9.237 134 1HD PRO 16 2HD PRO 16 -7.400 -2.809 -10.911 135 2HD PRO 16 1HD PRO 16 -6.367 -3.018 -9.483 136 H LEU 17 H LEU 17 -11.003 -2.263 -6.686 137 HA LEU 17 HA LEU 17 -13.034 -2.193 -8.818 138 1HB LEU 17 2HB LEU 17 -13.502 -2.380 -5.835 139 2HB LEU 17 1HB LEU 17 -14.693 -2.578 -7.106 140 HG LEU 17 HG LEU 17 -12.409 -4.465 -6.524 141 1HD1 LEU 17 1HD1 LEU 17 -14.184 -6.009 -5.837 142 2HD1 LEU 17 2HD1 LEU 17 -15.376 -4.729 -6.068 143 3HD1 LEU 17 3HD1 LEU 17 -14.132 -4.563 -4.828 144 1HD2 LEU 17 1HD2 LEU 17 -13.465 -5.926 -8.179 145 2HD2 LEU 17 2HD2 LEU 17 -12.926 -4.408 -8.897 146 3HD2 LEU 17 3HD2 LEU 17 -14.637 -4.660 -8.548 147 H GLN 18 H GLN 18 -11.172 -0.487 -6.611 148 HA GLN 18 HA GLN 18 -12.959 1.844 -6.502 149 1HB GLN 18 2HB GLN 18 -10.235 1.368 -5.301 150 2HB GLN 18 1HB GLN 18 -11.133 2.861 -5.136 151 1HG GLN 18 2HG GLN 18 -12.913 1.590 -3.967 152 2HG GLN 18 1HG GLN 18 -11.863 0.166 -4.026 153 1HE2 GLN 18 1HE2 GLN 18 -11.595 0.042 -1.799 154 2HE2 GLN 18 2HE2 GLN 18 -10.664 1.200 -0.918 155 H LYS 19 H LYS 19 -12.004 3.999 -6.965 156 HA LYS 19 HA LYS 19 -10.241 4.138 -9.212 157 1HB LYS 19 2HB LYS 19 -11.822 5.926 -8.890 158 2HB LYS 19 1HB LYS 19 -11.268 6.184 -7.246 159 1HG LYS 19 2HG LYS 19 -9.125 6.987 -8.077 160 2HG LYS 19 1HG LYS 19 -9.668 6.692 -9.730 161 1HD LYS 19 2HD LYS 19 -11.352 8.366 -9.561 162 2HD LYS 19 1HD LYS 19 -11.105 8.524 -7.823 163 1HE LYS 19 2HE LYS 19 -10.114 10.389 -9.075 164 2HE LYS 19 1HE LYS 19 -8.903 9.465 -8.189 165 1HZ LYS 19 1HZ LYS 19 -8.074 8.540 -10.131 166 2HZ LYS 19 2HZ LYS 19 -8.415 10.135 -10.594 167 3HZ LYS 19 3HZ LYS 19 -9.471 8.880 -11.027 168 H VAL 20 H VAL 20 -8.051 4.357 -9.147 169 HA VAL 20 HA VAL 20 -6.888 3.823 -6.502 170 HB VAL 20 HB VAL 20 -5.305 3.634 -9.028 171 1HG1 VAL 20 1HG1 VAL 20 -4.133 3.435 -6.929 172 2HG1 VAL 20 2HG1 VAL 20 -4.131 1.889 -7.777 173 3HG1 VAL 20 3HG1 VAL 20 -5.225 2.148 -6.417 174 1HG2 VAL 20 1HG2 VAL 20 -5.973 1.286 -9.270 175 2HG2 VAL 20 2HG2 VAL 20 -7.333 2.382 -9.510 176 3HG2 VAL 20 3HG2 VAL 20 -7.166 1.503 -7.990 177 H ASP 21 H ASP 21 -5.433 5.044 -5.602 178 HA ASP 21 HA ASP 21 -5.120 7.741 -6.721 179 1HB ASP 21 2HB ASP 21 -6.342 7.404 -4.560 180 2HB ASP 21 1HB ASP 21 -4.853 6.798 -3.863 181 H LEU 22 H LEU 22 -3.571 5.145 -6.971 182 HA LEU 22 HA LEU 22 -0.939 5.941 -6.016 183 1HB LEU 22 2HB LEU 22 -1.930 3.368 -7.234 184 2HB LEU 22 1HB LEU 22 -0.316 3.646 -6.629 185 HG LEU 22 HG LEU 22 -2.831 3.667 -4.976 186 1HD1 LEU 22 1HD1 LEU 22 -2.232 1.438 -5.723 187 2HD1 LEU 22 2HD1 LEU 22 -1.922 1.619 -3.996 188 3HD1 LEU 22 3HD1 LEU 22 -0.582 1.669 -5.142 189 1HD2 LEU 22 1HD2 LEU 22 -1.319 3.824 -3.059 190 2HD2 LEU 22 2HD2 LEU 22 -1.170 5.228 -4.117 191 3HD2 LEU 22 3HD2 LEU 22 0.056 3.959 -4.154 192 H LYS 23 H LYS 23 0.758 4.852 -7.716 193 HA LYS 23 HA LYS 23 0.127 5.694 -10.430 194 1HB LYS 23 2HB LYS 23 1.104 7.636 -9.150 195 2HB LYS 23 1HB LYS 23 2.571 6.693 -8.958 196 1HG LYS 23 2HG LYS 23 2.930 6.692 -11.338 197 2HG LYS 23 1HG LYS 23 1.388 7.510 -11.603 198 1HD LYS 23 2HD LYS 23 2.193 9.438 -10.329 199 2HD LYS 23 1HD LYS 23 3.731 8.622 -10.064 200 1HE LYS 23 2HE LYS 23 4.184 8.636 -12.444 201 2HE LYS 23 1HE LYS 23 2.607 9.359 -12.759 202 1HZ LYS 23 1HZ LYS 23 4.477 10.969 -12.750 203 2HZ LYS 23 2HZ LYS 23 4.713 10.638 -11.103 204 3HZ LYS 23 3HZ LYS 23 3.259 11.334 -11.628 205 H GLU 24 H GLU 24 1.896 4.972 -11.966 206 HA GLU 24 HA GLU 24 2.383 2.254 -11.645 207 1HB GLU 24 2HB GLU 24 3.574 4.338 -13.459 208 2HB GLU 24 1HB GLU 24 4.083 2.670 -13.526 209 1HG GLU 24 2HG GLU 24 2.453 3.110 -15.231 210 2HG GLU 24 1HG GLU 24 1.793 1.988 -14.044 211 H GLY 25 H GLY 25 4.084 1.065 -11.221 212 1HA GLY 25 2HA GLY 25 5.757 0.375 -9.839 213 2HA GLY 25 1HA GLY 25 6.562 1.889 -10.218 214 H GLU 26 H GLU 26 3.673 0.900 -8.478 215 HA GLU 26 HA GLU 26 4.687 2.298 -6.118 216 1HB GLU 26 2HB GLU 26 2.511 3.032 -7.073 217 2HB GLU 26 1HB GLU 26 1.894 1.401 -6.838 218 1HG GLU 26 2HG GLU 26 1.157 2.868 -5.113 219 2HG GLU 26 1HG GLU 26 2.189 1.609 -4.455 220 H ARG 27 H ARG 27 5.259 1.061 -4.389 221 HA ARG 27 HA ARG 27 4.916 -1.808 -4.625 222 1HB ARG 27 2HB ARG 27 6.550 -0.063 -2.886 223 2HB ARG 27 1HB ARG 27 6.189 -1.681 -2.332 224 1HG ARG 27 2HG ARG 27 8.330 -1.626 -3.456 225 2HG ARG 27 1HG ARG 27 7.178 -2.603 -4.363 226 1HD ARG 27 2HD ARG 27 8.376 -1.280 -5.930 227 2HD ARG 27 1HD ARG 27 6.755 -0.604 -5.809 228 HE ARG 27 HE ARG 27 7.761 1.098 -4.286 229 1HH1 ARG 27 1HH1 ARG 27 9.712 -0.555 -6.683 230 2HH1 ARG 27 2HH1 ARG 27 10.897 0.719 -6.793 231 1HH2 ARG 27 1HH2 ARG 27 9.322 2.778 -4.402 232 2HH2 ARG 27 2HH2 ARG 27 10.690 2.604 -5.462 233 H VAL 28 H VAL 28 3.479 -2.884 -3.772 234 HA VAL 28 HA VAL 28 1.905 -1.896 -1.509 235 HB VAL 28 HB VAL 28 -0.186 -2.549 -2.672 236 1HG1 VAL 28 1HG1 VAL 28 -0.324 -0.593 -4.150 237 2HG1 VAL 28 2HG1 VAL 28 1.431 -0.427 -4.081 238 3HG1 VAL 28 3HG1 VAL 28 0.467 -0.213 -2.620 239 1HG2 VAL 28 1HG2 VAL 28 0.729 -4.117 -4.285 240 2HG2 VAL 28 2HG2 VAL 28 1.600 -2.814 -5.094 241 3HG2 VAL 28 3HG2 VAL 28 -0.164 -2.843 -5.117 242 H LYS 29 H LYS 29 0.891 -3.544 -0.296 243 HA LYS 29 HA LYS 29 1.727 -6.257 -1.028 244 1HB LYS 29 2HB LYS 29 1.473 -5.069 1.726 245 2HB LYS 29 1HB LYS 29 1.879 -6.734 1.362 246 1HG LYS 29 2HG LYS 29 3.846 -5.833 0.053 247 2HG LYS 29 1HG LYS 29 3.493 -4.277 0.801 248 1HD LYS 29 2HD LYS 29 3.620 -5.517 3.024 249 2HD LYS 29 1HD LYS 29 4.357 -6.835 2.113 250 1HE LYS 29 2HE LYS 29 5.380 -4.013 2.396 251 2HE LYS 29 1HE LYS 29 6.111 -5.483 3.035 252 1HZ LYS 29 1HZ LYS 29 6.597 -6.224 0.816 253 2HZ LYS 29 2HZ LYS 29 7.199 -4.646 0.994 254 3HZ LYS 29 3HZ LYS 29 5.764 -4.913 0.141 255 H ILE 30 H ILE 30 0.305 -7.829 -0.866 256 HA ILE 30 HA ILE 30 -2.515 -7.009 -0.571 257 HB ILE 30 HB ILE 30 -1.737 -9.635 -1.726 258 1HG1 ILE 30 2HG1 ILE 30 -0.277 -8.010 -2.909 259 2HG1 ILE 30 1HG1 ILE 30 -1.482 -8.723 -3.973 260 1HG2 ILE 30 1HG2 ILE 30 -3.763 -9.252 -3.065 261 2HG2 ILE 30 2HG2 ILE 30 -3.962 -7.691 -2.273 262 3HG2 ILE 30 3HG2 ILE 30 -4.060 -9.179 -1.327 263 1HD1 ILE 30 1HD1 ILE 30 -1.592 -5.987 -2.743 264 2HD1 ILE 30 2HD1 ILE 30 -2.841 -6.698 -3.765 265 3HD1 ILE 30 3HD1 ILE 30 -1.237 -6.372 -4.426 266 H LYS 31 H LYS 31 -3.771 -7.999 0.851 267 HA LYS 31 HA LYS 31 -3.051 -10.475 2.059 268 1HB LYS 31 2HB LYS 31 -3.070 -9.604 4.308 269 2HB LYS 31 1HB LYS 31 -1.779 -8.867 3.389 270 1HG LYS 31 2HG LYS 31 -3.449 -6.970 2.989 271 2HG LYS 31 1HG LYS 31 -4.354 -7.693 4.318 272 1HD LYS 31 2HD LYS 31 -3.014 -6.067 5.325 273 2HD LYS 31 1HD LYS 31 -2.176 -7.585 5.636 274 1HE LYS 31 2HE LYS 31 -0.704 -7.153 3.717 275 2HE LYS 31 1HE LYS 31 -1.520 -5.616 3.440 276 1HZ LYS 31 1HZ LYS 31 -0.803 -4.976 5.730 277 2HZ LYS 31 2HZ LYS 31 0.464 -5.168 4.623 278 3HZ LYS 31 3HZ LYS 31 0.151 -6.379 5.774 279 H LEU 32 H LEU 32 -4.757 -11.157 3.573 280 HA LEU 32 HA LEU 32 -7.352 -10.315 2.557 281 1HB LEU 32 2HB LEU 32 -6.559 -12.744 4.160 282 2HB LEU 32 1HB LEU 32 -8.164 -12.404 3.566 283 HG LEU 32 HG LEU 32 -7.289 -13.998 2.091 284 1HD1 LEU 32 1HD1 LEU 32 -8.431 -12.254 0.920 285 2HD1 LEU 32 2HD1 LEU 32 -7.080 -12.828 -0.057 286 3HD1 LEU 32 3HD1 LEU 32 -6.950 -11.301 0.818 287 1HD2 LEU 32 1HD2 LEU 32 -4.775 -12.354 1.917 288 2HD2 LEU 32 2HD2 LEU 32 -5.125 -13.781 0.942 289 3HD2 LEU 32 3HD2 LEU 32 -4.959 -13.929 2.693 290 H GLU 33 H GLU 33 -8.762 -9.242 3.855 291 HA GLU 33 HA GLU 33 -8.060 -8.945 6.668 292 1HB GLU 33 2HB GLU 33 -6.826 -7.239 5.439 293 2HB GLU 33 1HB GLU 33 -8.320 -6.660 4.720 294 1HG GLU 33 2HG GLU 33 -9.116 -6.178 7.048 295 2HG GLU 33 1HG GLU 33 -7.478 -6.545 7.577 296 H LEU 34 H LEU 34 -9.654 -8.169 7.981 297 HA LEU 34 HA LEU 34 -12.275 -7.623 6.789 298 1HB LEU 34 2HB LEU 34 -11.629 -9.364 9.153 299 2HB LEU 34 1HB LEU 34 -13.190 -8.579 9.003 300 HG LEU 34 HG LEU 34 -12.068 -10.368 6.878 301 1HD1 LEU 34 1HD1 LEU 34 -13.966 -11.094 9.102 302 2HD1 LEU 34 2HD1 LEU 34 -12.301 -11.651 8.948 303 3HD1 LEU 34 3HD1 LEU 34 -13.505 -12.137 7.756 304 1HD2 LEU 34 1HD2 LEU 34 -13.788 -8.854 6.117 305 2HD2 LEU 34 2HD2 LEU 34 -14.843 -9.355 7.438 306 3HD2 LEU 34 3HD2 LEU 34 -14.416 -10.501 6.168 307 H LYS 35 H LYS 35 -13.623 -6.277 8.133 308 HA LYS 35 HA LYS 35 -12.058 -4.479 9.844 309 1HB LYS 35 2HB LYS 35 -14.004 -3.822 7.641 310 2HB LYS 35 1HB LYS 35 -13.452 -2.661 8.820 311 1HG LYS 35 2HG LYS 35 -11.134 -3.025 8.075 312 2HG LYS 35 1HG LYS 35 -11.739 -4.129 6.839 313 1HD LYS 35 2HD LYS 35 -13.093 -2.276 5.903 314 2HD LYS 35 1HD LYS 35 -12.390 -1.192 7.104 315 1HE LYS 35 2HE LYS 35 -10.918 -2.659 4.916 316 2HE LYS 35 1HE LYS 35 -11.244 -0.928 4.992 317 1HZ LYS 35 1HZ LYS 35 -9.097 -1.067 5.757 318 2HZ LYS 35 2HZ LYS 35 -9.340 -2.531 6.564 319 3HZ LYS 35 3HZ LYS 35 -9.958 -1.088 7.219 320 H VAL 36 H VAL 36 -13.920 -2.770 10.641 321 HA VAL 36 HA VAL 36 -15.564 -2.326 12.086 322 HB VAL 36 HB VAL 36 -16.625 -4.688 10.662 323 1HG1 VAL 36 1HG1 VAL 36 -18.128 -3.075 12.714 324 2HG1 VAL 36 2HG1 VAL 36 -17.672 -4.773 12.866 325 3HG1 VAL 36 3HG1 VAL 36 -18.847 -4.280 11.646 326 1HG2 VAL 36 1HG2 VAL 36 -16.450 -2.672 9.378 327 2HG2 VAL 36 2HG2 VAL 36 -17.336 -1.778 10.614 328 3HG2 VAL 36 3HG2 VAL 36 -18.151 -3.029 9.676 329 H GLU 37 H GLU 37 -16.294 -2.789 14.140 330 HA GLU 37 HA GLU 37 -14.898 -4.946 15.509 331 1HB GLU 37 2HB GLU 37 -15.201 -3.626 17.495 332 2HB GLU 37 1HB GLU 37 -14.429 -2.673 16.252 333 1HG GLU 37 2HG GLU 37 -17.376 -2.562 16.754 334 2HG GLU 37 1HG GLU 37 -16.220 -1.595 17.648 335 HA PRO 38 HA PRO 38 -18.782 -6.927 16.429 336 1HB PRO 38 2HB PRO 38 -18.203 -8.147 18.775 337 2HB PRO 38 1HB PRO 38 -17.557 -8.706 17.227 338 1HG PRO 38 2HG PRO 38 -16.248 -7.038 19.336 339 2HG PRO 38 1HG PRO 38 -15.570 -8.373 18.386 340 1HD PRO 38 2HD PRO 38 -15.108 -5.753 17.811 341 2HD PRO 38 1HD PRO 38 -15.137 -7.028 16.578 342 H ILE 39 H ILE 39 -20.413 -7.125 18.254 343 HA ILE 39 HA ILE 39 -20.647 -4.523 19.585 344 HB ILE 39 HB ILE 39 -23.020 -5.100 19.815 345 1HG1 ILE 39 2HG1 ILE 39 -22.378 -7.526 18.141 346 2HG1 ILE 39 1HG1 ILE 39 -22.665 -7.574 19.879 347 1HG2 ILE 39 1HG2 ILE 39 -22.313 -3.826 17.883 348 2HG2 ILE 39 2HG2 ILE 39 -23.612 -4.928 17.428 349 3HG2 ILE 39 3HG2 ILE 39 -21.942 -5.316 17.015 350 1HD1 ILE 39 1HD1 ILE 39 -24.626 -6.719 17.763 351 2HD1 ILE 39 2HD1 ILE 39 -24.931 -6.724 19.502 352 3HD1 ILE 39 3HD1 ILE 39 -24.635 -8.241 18.652 353 H ASP 40 H ASP 40 -22.056 -4.698 21.657 354 HA ASP 40 HA ASP 40 -20.769 -6.411 23.554 355 1HB ASP 40 2HB ASP 40 -21.561 -4.199 24.222 356 2HB ASP 40 1HB ASP 40 -23.214 -4.643 23.819 357 H LEU 41 H LEU 41 -21.503 -8.262 24.491 358 HA LEU 41 HA LEU 41 -23.537 -9.673 22.970 359 1HB LEU 41 2HB LEU 41 -22.704 -11.690 24.052 360 2HB LEU 41 1HB LEU 41 -21.403 -10.790 23.303 361 HG LEU 41 HG LEU 41 -21.981 -10.618 26.261 362 1HD1 LEU 41 1HD1 LEU 41 -20.191 -12.261 26.565 363 2HD1 LEU 41 2HD1 LEU 41 -20.104 -12.487 24.818 364 3HD1 LEU 41 3HD1 LEU 41 -21.562 -12.949 25.697 365 1HD2 LEU 41 1HD2 LEU 41 -19.669 -9.866 26.383 366 2HD2 LEU 41 2HD2 LEU 41 -20.594 -8.837 25.289 367 3HD2 LEU 41 3HD2 LEU 41 -19.498 -10.055 24.637 368 H GLY 42 H GLY 42 -24.302 -11.570 24.939 369 1HA GLY 42 2HA GLY 42 -25.992 -9.888 26.647 370 2HA GLY 42 1HA GLY 42 -26.640 -11.229 25.715 371 H GLU 43 H GLU 43 -26.362 -10.565 28.615 372 HA GLU 43 HA GLU 43 -24.688 -12.470 29.847 373 1HB GLU 43 2HB GLU 43 -26.005 -12.004 31.865 374 2HB GLU 43 1HB GLU 43 -25.537 -10.526 31.044 375 1HG GLU 43 2HG GLU 43 -27.786 -10.419 30.037 376 2HG GLU 43 1HG GLU 43 -28.241 -11.841 30.973 377 HA PRO 44 HA PRO 44 -27.256 -16.097 29.381 378 1HB PRO 44 2HB PRO 44 -25.569 -17.588 31.108 379 2HB PRO 44 1HB PRO 44 -25.507 -17.529 29.347 380 1HG PRO 44 2HG PRO 44 -23.557 -16.547 31.083 381 2HG PRO 44 1HG PRO 44 -23.707 -16.155 29.363 382 1HD PRO 44 2HD PRO 44 -24.558 -14.584 31.749 383 2HD PRO 44 1HD PRO 44 -23.944 -14.021 30.179 384 H VAL 45 H VAL 45 -28.382 -17.683 30.777 385 HA VAL 45 HA VAL 45 -29.633 -16.412 33.003 386 HB VAL 45 HB VAL 45 -29.823 -19.347 32.391 387 1HG1 VAL 45 1HG1 VAL 45 -31.812 -17.364 33.479 388 2HG1 VAL 45 2HG1 VAL 45 -30.928 -18.570 34.413 389 3HG1 VAL 45 3HG1 VAL 45 -32.113 -19.081 33.211 390 1HG2 VAL 45 1HG2 VAL 45 -30.085 -18.192 30.263 391 2HG2 VAL 45 2HG2 VAL 45 -31.282 -17.115 30.980 392 3HG2 VAL 45 3HG2 VAL 45 -31.636 -18.834 30.807 393 H SER 46 H SER 46 -29.612 -17.109 35.173 394 HA SER 46 HA SER 46 -27.002 -18.092 36.018 395 1HB SER 46 2HB SER 46 -29.209 -16.761 37.596 396 2HB SER 46 1HB SER 46 -27.571 -17.074 38.150 397 HG SER 46 HG SER 46 -27.006 -15.761 36.144 398 H VAL 47 H VAL 47 -27.491 -19.036 38.505 399 HA VAL 47 HA VAL 47 -28.516 -21.643 38.057 400 HB VAL 47 HB VAL 47 -26.734 -21.213 39.688 401 1HG1 VAL 47 1HG1 VAL 47 -28.862 -19.821 41.312 402 2HG1 VAL 47 2HG1 VAL 47 -27.481 -19.052 40.527 403 3HG1 VAL 47 3HG1 VAL 47 -27.225 -20.188 41.852 404 1HG2 VAL 47 1HG2 VAL 47 -29.243 -22.363 40.913 405 2HG2 VAL 47 2HG2 VAL 47 -27.610 -22.593 41.539 406 3HG2 VAL 47 3HG2 VAL 47 -28.046 -23.232 39.954 407 H GLU 48 H GLU 48 -30.413 -22.594 38.718 408 HA GLU 48 HA GLU 48 -32.714 -20.971 38.712 409 1HB GLU 48 2HB GLU 48 -32.707 -23.240 37.862 410 2HB GLU 48 1HB GLU 48 -32.389 -23.860 39.470 411 1HG GLU 48 2HG GLU 48 -34.558 -22.930 40.203 412 2HG GLU 48 1HG GLU 48 -34.876 -22.473 38.528 413 H GLU 49 H GLU 49 -33.707 -19.982 40.233 414 HA GLU 49 HA GLU 49 -33.019 -20.392 43.021 415 1HB GLU 49 2HB GLU 49 -34.349 -18.410 43.481 416 2HB GLU 49 1HB GLU 49 -33.208 -18.094 42.184 417 1HG GLU 49 2HG GLU 49 -34.934 -18.210 40.539 418 2HG GLU 49 1HG GLU 49 -36.099 -18.787 41.730 419 H ILE 50 H ILE 50 -35.421 -21.326 40.825 420 HA ILE 50 HA ILE 50 -37.721 -21.234 42.446 421 HB ILE 50 HB ILE 50 -37.334 -23.081 40.096 422 1HG1 ILE 50 2HG1 ILE 50 -38.138 -20.165 40.041 423 2HG1 ILE 50 1HG1 ILE 50 -36.567 -20.786 39.540 424 1HG2 ILE 50 1HG2 ILE 50 -39.408 -23.382 41.357 425 2HG2 ILE 50 2HG2 ILE 50 -39.727 -22.715 39.755 426 3HG2 ILE 50 3HG2 ILE 50 -39.768 -21.665 41.171 427 1HD1 ILE 50 1HD1 ILE 50 -39.226 -21.396 38.269 428 2HD1 ILE 50 2HD1 ILE 50 -37.681 -22.091 37.781 429 3HD1 ILE 50 3HD1 ILE 50 -37.957 -20.358 37.618 430 H LYS 51 H LYS 51 -35.129 -23.356 42.559 431 HA LYS 51 HA LYS 51 -36.670 -25.657 43.447 432 1HB LYS 51 2HB LYS 51 -34.370 -25.549 42.098 433 2HB LYS 51 1HB LYS 51 -33.703 -25.571 43.718 434 1HG LYS 51 2HG LYS 51 -35.676 -27.623 42.766 435 2HG LYS 51 1HG LYS 51 -33.939 -27.802 42.524 436 1HD LYS 51 2HD LYS 51 -35.308 -27.454 45.190 437 2HD LYS 51 1HD LYS 51 -34.745 -28.991 44.525 438 1HE LYS 51 2HE LYS 51 -32.445 -28.094 44.480 439 2HE LYS 51 1HE LYS 51 -33.034 -26.597 45.205 440 1HZ LYS 51 1HZ LYS 51 -33.027 -29.303 46.424 441 2HZ LYS 51 2HZ LYS 51 -33.830 -27.970 47.098 442 3HZ LYS 51 3HZ LYS 51 -32.143 -27.943 46.928 443 H LYS 52 H LYS 52 -36.954 -26.263 45.500 444 HA LYS 52 HA LYS 52 -36.177 -24.351 47.562 445 1HB LYS 52 2HB LYS 52 -38.272 -26.507 47.388 446 2HB LYS 52 1HB LYS 52 -37.829 -25.788 48.919 447 1HG LYS 52 2HG LYS 52 -39.765 -24.665 48.169 448 2HG LYS 52 1HG LYS 52 -38.415 -23.555 47.940 449 1HD LYS 52 2HD LYS 52 -38.325 -24.139 45.569 450 2HD LYS 52 1HD LYS 52 -39.651 -25.283 45.797 451 1HE LYS 52 2HE LYS 52 -40.464 -23.197 44.854 452 2HE LYS 52 1HE LYS 52 -41.114 -23.446 46.472 453 1HZ LYS 52 1HZ LYS 52 -39.385 -21.940 47.317 454 2HZ LYS 52 2HZ LYS 52 -40.426 -21.179 46.223 455 3HZ LYS 52 3HZ LYS 52 -38.873 -21.642 45.727 456 H ILE 53 H ILE 53 -34.861 -24.866 49.254 457 HA ILE 53 HA ILE 53 -33.403 -27.306 49.138 458 HB ILE 53 HB ILE 53 -32.279 -25.201 49.658 459 1HG1 ILE 53 2HG1 ILE 53 -32.349 -26.995 52.053 460 2HG1 ILE 53 1HG1 ILE 53 -31.520 -27.372 50.553 461 1HG2 ILE 53 1HG2 ILE 53 -33.986 -25.148 52.147 462 2HG2 ILE 53 2HG2 ILE 53 -34.097 -24.033 50.784 463 3HG2 ILE 53 3HG2 ILE 53 -32.651 -24.052 51.794 464 1HD1 ILE 53 1HD1 ILE 53 -30.088 -25.411 50.865 465 2HD1 ILE 53 2HD1 ILE 53 -29.961 -26.540 52.214 466 3HD1 ILE 53 3HD1 ILE 53 -30.913 -25.065 52.386 467 H ARG 54 H ARG 54 -33.623 -29.051 50.481 468 HA ARG 54 HA ARG 54 -36.195 -29.181 51.834 469 1HB ARG 54 2HB ARG 54 -35.271 -30.948 50.217 470 2HB ARG 54 1HB ARG 54 -34.223 -31.437 51.542 471 1HG ARG 54 2HG ARG 54 -36.358 -31.669 52.918 472 2HG ARG 54 1HG ARG 54 -37.211 -31.575 51.377 473 1HD ARG 54 2HD ARG 54 -36.912 -33.875 51.841 474 2HD ARG 54 1HD ARG 54 -35.748 -33.463 50.582 475 HE ARG 54 HE ARG 54 -34.717 -33.293 53.278 476 1HH1 ARG 54 1HH1 ARG 54 -35.140 -35.328 50.455 477 2HH1 ARG 54 2HH1 ARG 54 -33.904 -36.448 50.930 478 1HH2 ARG 54 1HH2 ARG 54 -33.115 -34.764 53.904 479 2HH2 ARG 54 2HH2 ARG 54 -32.756 -36.143 52.909 480 H ASP 55 H ASP 55 -36.480 -29.198 53.965 481 HA ASP 55 HA ASP 55 -34.133 -29.577 55.706 482 1HB ASP 55 2HB ASP 55 -36.569 -27.847 55.995 483 2HB ASP 55 1HB ASP 55 -35.730 -28.422 57.431 484 H GLY 56 H GLY 56 -35.115 -30.220 58.050 485 1HA GLY 56 2HA GLY 56 -36.293 -32.836 57.557 486 2HA GLY 56 1HA GLY 56 -35.633 -32.255 59.081 487 H THR 57 H THR 57 -38.277 -33.539 58.337 488 HA THR 57 HA THR 57 -40.193 -31.463 58.847 489 HB THR 57 HB THR 57 -41.746 -33.503 59.030 490 HG1 THR 57 HG1 THR 57 -40.890 -35.409 58.757 491 1HG2 THR 57 1HG2 THR 57 -41.680 -32.062 57.072 492 2HG2 THR 57 2HG2 THR 57 -41.833 -33.750 56.584 493 3HG2 THR 57 3HG2 THR 57 -40.275 -32.935 56.461 494 H TRP 58 H TRP 58 -39.917 -30.608 60.823 495 HA TRP 58 HA TRP 58 -39.815 -32.411 63.134 496 1HB TRP 58 2HB TRP 58 -38.048 -30.620 62.835 497 2HB TRP 58 1HB TRP 58 -39.314 -29.427 63.080 498 HD1 TRP 58 HD1 TRP 58 -37.509 -32.259 64.984 499 HE1 TRP 58 HE1 TRP 58 -37.639 -31.744 67.502 500 HE3 TRP 58 HE3 TRP 58 -40.524 -28.135 64.815 501 HZ2 TRP 58 HZ2 TRP 58 -38.859 -29.845 69.192 502 HZ3 TRP 58 HZ3 TRP 58 -41.124 -27.032 66.930 503 HH2 TRP 58 HH2 TRP 58 -40.307 -27.872 69.072 504 H MET 59 H MET 59 -41.344 -32.265 64.766 505 HA MET 59 HA MET 59 -43.796 -30.831 64.015 506 1HB MET 59 2HB MET 59 -44.963 -32.411 65.498 507 2HB MET 59 1HB MET 59 -44.072 -33.247 64.234 508 1HG MET 59 2HG MET 59 -42.381 -33.922 65.747 509 2HG MET 59 1HG MET 59 -42.981 -32.842 67.003 510 1HE MET 59 1HE MET 59 -46.119 -33.267 66.891 511 2HE MET 59 2HE MET 59 -45.171 -33.220 68.377 512 3HE MET 59 3HE MET 59 -46.307 -34.541 68.097 513 H SER 60 H SER 60 -44.641 -29.291 65.332 514 HA SER 60 HA SER 60 -43.143 -28.416 67.603 515 1HB SER 60 2HB SER 60 -45.901 -27.587 66.717 516 2HB SER 60 1HB SER 60 -44.867 -26.715 67.844 517 HG SER 60 HG SER 60 -43.474 -26.225 66.197 518 H SER 61 H SER 61 -43.124 -29.948 69.141 519 HA SER 61 HA SER 61 -45.530 -31.256 70.045 520 1HB SER 61 2HB SER 61 -42.758 -31.334 71.263 521 2HB SER 61 1HB SER 61 -44.070 -32.481 71.542 522 HG SER 61 HG SER 61 -42.680 -33.357 70.027 523 H LEU 62 H LEU 62 -44.678 -28.239 70.370 524 HA LEU 62 HA LEU 62 -44.815 -27.821 73.188 525 1HB LEU 62 2HB LEU 62 -43.667 -26.428 71.366 526 2HB LEU 62 1HB LEU 62 -45.260 -25.798 71.016 527 HG LEU 62 HG LEU 62 -43.801 -24.377 72.451 528 1HD1 LEU 62 1HD1 LEU 62 -46.192 -24.003 72.386 529 2HD1 LEU 62 2HD1 LEU 62 -45.577 -23.736 74.016 530 3HD1 LEU 62 3HD1 LEU 62 -46.436 -25.228 73.632 531 1HD2 LEU 62 1HD2 LEU 62 -44.333 -26.535 74.476 532 2HD2 LEU 62 2HD2 LEU 62 -43.662 -24.946 74.847 533 3HD2 LEU 62 3HD2 LEU 62 -42.767 -26.063 73.816 534 H GLU 63 H GLU 63 -46.722 -28.611 73.983 535 HA GLU 63 HA GLU 63 -49.159 -27.271 73.017 536 1HB GLU 63 2HB GLU 63 -49.286 -29.721 72.765 537 2HB GLU 63 1HB GLU 63 -48.935 -29.916 74.478 538 1HG GLU 63 2HG GLU 63 -51.010 -28.645 74.984 539 2HG GLU 63 1HG GLU 63 -51.377 -28.649 73.261 540 H HIS 64 H HIS 64 -49.695 -25.655 74.313 541 HA HIS 64 HA HIS 64 -48.979 -25.886 77.156 542 1HB HIS 64 2HB HIS 64 -48.863 -23.505 77.287 543 2HB HIS 64 1HB HIS 64 -47.965 -23.977 75.853 544 HD1 HIS 64 HD1 HIS 64 -49.379 -23.647 73.512 545 HD2 HIS 64 HD2 HIS 64 -50.727 -21.589 76.863 546 HE1 HIS 64 HE1 HIS 64 -50.827 -21.796 72.630 547 HE2 HIS 64 HE2 HIS 64 -51.502 -20.469 74.664 548 H HIS 65 H HIS 65 -50.499 -25.316 78.734 549 HA HIS 65 HA HIS 65 -53.268 -25.552 77.785 550 1HB HIS 65 2HB HIS 65 -53.796 -26.209 80.140 551 2HB HIS 65 1HB HIS 65 -52.706 -27.315 79.317 552 HD1 HIS 65 HD1 HIS 65 -52.349 -24.313 81.672 553 HD2 HIS 65 HD2 HIS 65 -50.619 -28.006 80.860 554 HE1 HIS 65 HE1 HIS 65 -50.582 -24.632 83.425 555 HE2 HIS 65 HE2 HIS 65 -49.700 -26.960 83.039 556 H HIS 66 H HIS 66 -54.911 -24.311 78.820 557 HA HIS 66 HA HIS 66 -53.918 -21.789 79.964 558 1HB HIS 66 2HB HIS 66 -54.873 -21.469 77.709 559 2HB HIS 66 1HB HIS 66 -56.381 -22.198 78.251 560 HD1 HIS 66 HD1 HIS 66 -58.099 -20.510 78.764 561 HD2 HIS 66 HD2 HIS 66 -54.270 -19.083 79.544 562 HE1 HIS 66 HE1 HIS 66 -58.407 -18.161 79.607 563 HE2 HIS 66 HE2 HIS 66 -56.068 -17.245 79.840 564 H HIS 67 H HIS 67 -54.117 -22.399 82.085 565 HA HIS 67 HA HIS 67 -56.837 -23.131 82.960 566 1HB HIS 67 2HB HIS 67 -55.079 -24.953 83.144 567 2HB HIS 67 1HB HIS 67 -54.280 -23.948 84.345 568 HD1 HIS 67 HD1 HIS 67 -57.101 -26.273 83.858 569 HD2 HIS 67 HD2 HIS 67 -55.714 -23.691 86.807 570 HE1 HIS 67 HE1 HIS 67 -58.323 -26.921 85.959 571 HE2 HIS 67 HE2 HIS 67 -57.596 -25.235 87.688 572 H HIS 68 H HIS 68 -57.744 -21.561 84.048 573 HA HIS 68 HA HIS 68 -58.138 -19.927 85.561 574 1HB HIS 68 2HB HIS 68 -56.844 -21.245 87.175 575 2HB HIS 68 1HB HIS 68 -55.354 -20.511 86.595 576 HD1 HIS 68 HD1 HIS 68 -54.873 -18.077 87.321 577 HD2 HIS 68 HD2 HIS 68 -58.372 -19.672 88.892 578 HE1 HIS 68 HE1 HIS 68 -55.577 -16.491 89.138 579 HE2 HIS 68 HE2 HIS 68 -57.641 -17.530 90.151 580 H HIS 69 H HIS 69 -58.287 -17.890 85.045 581 HA HIS 69 HA HIS 69 -56.368 -16.560 83.400 582 1HB HIS 69 2HB HIS 69 -58.713 -15.981 83.186 583 2HB HIS 69 1HB HIS 69 -58.805 -15.551 84.890 584 HD1 HIS 69 HD1 HIS 69 -58.333 -13.168 85.481 585 HD2 HIS 69 HD2 HIS 69 -57.093 -14.116 81.629 586 HE1 HIS 69 HE1 HIS 69 -57.659 -10.988 84.434 587 HE2 HIS 69 HE2 HIS 69 -56.657 -11.630 82.209 588 1H MET 1 1H MET 1 -2.729 -16.572 10.944 589 2H MET 1 2H MET 1 -3.459 -15.095 10.545 590 3H MET 1 3H MET 1 -2.604 -15.251 11.998 591 HA MET 1 HA MET 1 -1.367 -14.025 10.316 592 1HB MET 1 2HB MET 1 -0.180 -16.706 11.059 593 2HB MET 1 1HB MET 1 0.735 -15.330 10.467 594 1HG MET 1 2HG MET 1 1.029 -15.358 12.796 595 2HG MET 1 1HG MET 1 -0.110 -14.053 12.467 596 1HE MET 1 1HE MET 1 -0.802 -14.012 15.044 597 2HE MET 1 2HE MET 1 0.357 -15.304 15.347 598 3HE MET 1 3HE MET 1 -1.296 -15.441 15.952 599 HA PRO 2 HA PRO 2 -1.956 -16.117 6.348 600 1HB PRO 2 2HB PRO 2 -2.946 -14.032 5.001 601 2HB PRO 2 1HB PRO 2 -3.946 -14.941 6.140 602 1HG PRO 2 2HG PRO 2 -2.751 -12.248 6.409 603 2HG PRO 2 1HG PRO 2 -4.204 -12.914 7.167 604 1HD PRO 2 2HD PRO 2 -1.583 -12.675 8.302 605 2HD PRO 2 1HD PRO 2 -3.025 -13.394 9.044 606 H LYS 3 H LYS 3 -0.882 -15.828 4.309 607 HA LYS 3 HA LYS 3 1.654 -14.500 4.473 608 1HB LYS 3 2HB LYS 3 2.001 -15.268 2.177 609 2HB LYS 3 1HB LYS 3 1.382 -16.573 3.177 610 1HG LYS 3 2HG LYS 3 -0.791 -16.382 2.232 611 2HG LYS 3 1HG LYS 3 -0.369 -14.880 1.415 612 1HD LYS 3 2HD LYS 3 -0.374 -16.644 -0.195 613 2HD LYS 3 1HD LYS 3 1.297 -16.149 0.080 614 1HE LYS 3 2HE LYS 3 1.647 -18.044 1.542 615 2HE LYS 3 1HE LYS 3 -0.046 -18.518 1.373 616 1HZ LYS 3 1HZ LYS 3 0.332 -18.866 -0.997 617 2HZ LYS 3 2HZ LYS 3 1.369 -19.833 -0.062 618 3HZ LYS 3 3HZ LYS 3 1.965 -18.434 -0.816 619 H ILE 4 H ILE 4 2.363 -12.717 3.235 620 HA ILE 4 HA ILE 4 0.225 -11.088 2.120 621 HB ILE 4 HB ILE 4 1.625 -9.185 2.405 622 1HG1 ILE 4 2HG1 ILE 4 3.799 -10.405 1.985 623 2HG1 ILE 4 1HG1 ILE 4 3.827 -9.177 3.224 624 1HG2 ILE 4 1HG2 ILE 4 1.783 -9.084 4.841 625 2HG2 ILE 4 2HG2 ILE 4 1.580 -10.835 4.910 626 3HG2 ILE 4 3HG2 ILE 4 0.274 -9.821 4.299 627 1HD1 ILE 4 1HD1 ILE 4 3.495 -11.095 4.882 628 2HD1 ILE 4 2HD1 ILE 4 5.073 -10.907 4.121 629 3HD1 ILE 4 3HD1 ILE 4 3.959 -12.139 3.538 630 H ILE 5 H ILE 5 0.280 -10.535 0.034 631 HA ILE 5 HA ILE 5 2.439 -11.616 -1.620 632 HB ILE 5 HB ILE 5 -0.053 -10.219 -2.555 633 1HG1 ILE 5 2HG1 ILE 5 -0.722 -12.131 -1.175 634 2HG1 ILE 5 1HG1 ILE 5 -1.076 -12.437 -2.870 635 1HG2 ILE 5 1HG2 ILE 5 0.318 -11.464 -4.635 636 2HG2 ILE 5 2HG2 ILE 5 1.801 -12.124 -3.950 637 3HG2 ILE 5 3HG2 ILE 5 1.660 -10.391 -4.241 638 1HD1 ILE 5 1HD1 ILE 5 1.248 -13.527 -1.306 639 2HD1 ILE 5 2HD1 ILE 5 0.972 -13.791 -3.028 640 3HD1 ILE 5 3HD1 ILE 5 -0.176 -14.419 -1.843 641 H GLU 6 H GLU 6 3.519 -10.184 -3.143 642 HA GLU 6 HA GLU 6 3.426 -7.376 -2.332 643 1HB GLU 6 2HB GLU 6 5.895 -8.983 -3.014 644 2HB GLU 6 1HB GLU 6 5.853 -7.285 -2.584 645 1HG GLU 6 2HG GLU 6 4.920 -7.927 -0.366 646 2HG GLU 6 1HG GLU 6 5.158 -9.614 -0.814 647 H ALA 7 H ALA 7 2.778 -6.236 -4.002 648 HA ALA 7 HA ALA 7 3.335 -7.283 -6.715 649 1HB ALA 7 1HB ALA 7 1.023 -7.747 -6.083 650 2HB ALA 7 2HB ALA 7 1.079 -6.525 -7.354 651 3HB ALA 7 3HB ALA 7 0.763 -6.049 -5.685 652 H VAL 8 H VAL 8 3.028 -5.529 -8.388 653 HA VAL 8 HA VAL 8 3.528 -2.827 -7.318 654 HB VAL 8 HB VAL 8 4.477 -3.603 -10.031 655 1HG1 VAL 8 1HG1 VAL 8 4.451 -1.261 -9.435 656 2HG1 VAL 8 2HG1 VAL 8 6.108 -1.829 -9.639 657 3HG1 VAL 8 3HG1 VAL 8 5.450 -1.596 -8.019 658 1HG2 VAL 8 1HG2 VAL 8 5.461 -5.297 -8.559 659 2HG2 VAL 8 2HG2 VAL 8 6.090 -4.020 -7.517 660 3HG2 VAL 8 3HG2 VAL 8 6.688 -4.186 -9.168 661 H TYR 9 H TYR 9 2.149 -1.382 -7.954 662 HA TYR 9 HA TYR 9 -0.025 -2.053 -9.782 663 1HB TYR 9 2HB TYR 9 -0.646 -0.885 -7.785 664 2HB TYR 9 1HB TYR 9 0.609 0.327 -8.004 665 HD1 TYR 9 HD1 TYR 9 0.264 2.227 -9.414 666 HD2 TYR 9 HD2 TYR 9 -2.689 -0.828 -9.162 667 HE1 TYR 9 HE1 TYR 9 -1.348 3.707 -10.526 668 HE2 TYR 9 HE2 TYR 9 -4.310 0.643 -10.278 669 HH TYR 9 HH TYR 9 -3.392 3.569 -11.811 670 H GLU 10 H GLU 10 -0.117 -1.588 -11.764 671 HA GLU 10 HA GLU 10 1.237 0.698 -12.917 672 1HB GLU 10 2HB GLU 10 2.903 -1.121 -12.984 673 2HB GLU 10 1HB GLU 10 1.764 -2.121 -13.867 674 1HG GLU 10 2HG GLU 10 1.754 -0.285 -15.618 675 2HG GLU 10 1HG GLU 10 3.159 0.364 -14.775 676 H ASN 11 H ASN 11 -0.115 1.585 -14.304 677 HA ASN 11 HA ASN 11 -1.610 1.868 -15.993 678 1HB ASN 11 2HB ASN 11 -0.230 -0.226 -16.817 679 2HB ASN 11 1HB ASN 11 -1.747 -1.062 -16.545 680 1HD2 ASN 11 1HD2 ASN 11 -1.445 2.275 -17.678 681 2HD2 ASN 11 2HD2 ASN 11 -2.087 1.967 -19.258 682 H GLY 12 H GLY 12 -2.415 1.094 -13.226 683 1HA GLY 12 2HA GLY 12 -4.554 1.102 -12.259 684 2HA GLY 12 1HA GLY 12 -5.229 0.659 -13.822 685 H VAL 13 H VAL 13 -2.535 -1.173 -12.880 686 HA VAL 13 HA VAL 13 -4.298 -3.401 -12.022 687 HB VAL 13 HB VAL 13 -1.628 -3.735 -13.345 688 1HG1 VAL 13 1HG1 VAL 13 -4.025 -5.566 -13.112 689 2HG1 VAL 13 2HG1 VAL 13 -2.526 -5.673 -12.189 690 3HG1 VAL 13 3HG1 VAL 13 -2.511 -5.961 -13.928 691 1HG2 VAL 13 1HG2 VAL 13 -4.291 -3.597 -14.781 692 2HG2 VAL 13 2HG2 VAL 13 -2.762 -4.090 -15.508 693 3HG2 VAL 13 3HG2 VAL 13 -2.969 -2.440 -14.921 694 H PHE 14 H PHE 14 -3.522 -4.659 -10.282 695 HA PHE 14 HA PHE 14 -0.905 -3.845 -9.217 696 1HB PHE 14 2HB PHE 14 -3.147 -5.460 -7.982 697 2HB PHE 14 1HB PHE 14 -1.586 -5.216 -7.225 698 HD1 PHE 14 HD1 PHE 14 -4.820 -3.760 -7.945 699 HD2 PHE 14 HD2 PHE 14 -0.912 -2.973 -6.468 700 HE1 PHE 14 HE1 PHE 14 -5.629 -1.665 -6.927 701 HE2 PHE 14 HE2 PHE 14 -1.711 -0.890 -5.439 702 HZ PHE 14 HZ PHE 14 -4.067 -0.224 -5.661 703 H LYS 15 H LYS 15 0.738 -5.030 -9.891 704 HA LYS 15 HA LYS 15 0.255 -7.754 -10.873 705 1HB LYS 15 2HB LYS 15 2.461 -5.797 -11.538 706 2HB LYS 15 1HB LYS 15 2.271 -7.393 -12.227 707 1HG LYS 15 2HG LYS 15 0.185 -6.716 -13.280 708 2HG LYS 15 1HG LYS 15 0.323 -5.122 -12.533 709 1HD LYS 15 2HD LYS 15 2.456 -4.789 -13.751 710 2HD LYS 15 1HD LYS 15 2.200 -6.337 -14.560 711 1HE LYS 15 2HE LYS 15 0.062 -5.463 -15.456 712 2HE LYS 15 1HE LYS 15 0.430 -3.903 -14.723 713 1HZ LYS 15 1HZ LYS 15 2.337 -3.671 -16.137 714 2HZ LYS 15 2HZ LYS 15 1.005 -4.050 -17.113 715 3HZ LYS 15 3HZ LYS 15 2.148 -5.243 -16.741 716 HA PRO 16 HA PRO 16 2.540 -8.798 -7.165 717 1HB PRO 16 2HB PRO 16 2.654 -11.490 -7.638 718 2HB PRO 16 1HB PRO 16 1.271 -10.667 -6.911 719 1HG PRO 16 2HG PRO 16 1.674 -11.565 -9.731 720 2HG PRO 16 1HG PRO 16 0.212 -11.625 -8.730 721 1HD PRO 16 2HD PRO 16 0.594 -9.741 -10.625 722 2HD PRO 16 1HD PRO 16 -0.309 -9.410 -9.134 723 H LEU 17 H LEU 17 4.486 -9.915 -6.627 724 HA LEU 17 HA LEU 17 6.430 -9.936 -8.835 725 1HB LEU 17 2HB LEU 17 6.754 -9.260 -5.907 726 2HB LEU 17 1HB LEU 17 8.107 -9.481 -7.005 727 HG LEU 17 HG LEU 17 6.199 -7.587 -8.079 728 1HD1 LEU 17 1HD1 LEU 17 7.394 -6.960 -5.385 729 2HD1 LEU 17 2HD1 LEU 17 5.677 -7.084 -5.778 730 3HD1 LEU 17 3HD1 LEU 17 6.651 -5.786 -6.469 731 1HD2 LEU 17 1HD2 LEU 17 8.473 -7.851 -8.864 732 2HD2 LEU 17 2HD2 LEU 17 9.090 -7.398 -7.274 733 3HD2 LEU 17 3HD2 LEU 17 8.216 -6.217 -8.250 734 H GLN 18 H GLN 18 4.655 -11.750 -6.821 735 HA GLN 18 HA GLN 18 6.482 -14.050 -7.228 736 1HB GLN 18 2HB GLN 18 5.790 -15.054 -5.120 737 2HB GLN 18 1HB GLN 18 6.517 -13.482 -4.825 738 1HG GLN 18 2HG GLN 18 3.551 -13.748 -5.067 739 2HG GLN 18 1HG GLN 18 4.368 -14.169 -3.562 740 1HE2 GLN 18 1HE2 GLN 18 5.065 -12.585 -2.239 741 2HE2 GLN 18 2HE2 GLN 18 4.909 -10.897 -2.565 742 H LYS 19 H LYS 19 5.360 -16.132 -7.426 743 HA LYS 19 HA LYS 19 2.886 -15.940 -8.825 744 1HB LYS 19 2HB LYS 19 4.593 -17.662 -9.299 745 2HB LYS 19 1HB LYS 19 4.297 -18.375 -7.723 746 1HG LYS 19 2HG LYS 19 1.984 -18.837 -8.397 747 2HG LYS 19 1HG LYS 19 2.337 -18.172 -9.992 748 1HD LYS 19 2HD LYS 19 4.056 -19.894 -10.319 749 2HD LYS 19 1HD LYS 19 3.685 -20.561 -8.729 750 1HE LYS 19 2HE LYS 19 2.544 -21.910 -10.308 751 2HE LYS 19 1HE LYS 19 1.328 -20.899 -9.533 752 1HZ LYS 19 1HZ LYS 19 1.540 -19.378 -11.494 753 2HZ LYS 19 2HZ LYS 19 0.881 -20.900 -11.836 754 3HZ LYS 19 3HZ LYS 19 2.491 -20.569 -12.244 755 H VAL 20 H VAL 20 0.884 -16.198 -8.087 756 HA VAL 20 HA VAL 20 0.606 -16.449 -5.162 757 HB VAL 20 HB VAL 20 -1.473 -15.211 -6.949 758 1HG1 VAL 20 1HG1 VAL 20 -2.147 -15.787 -4.682 759 2HG1 VAL 20 2HG1 VAL 20 -2.110 -14.038 -4.902 760 3HG1 VAL 20 3HG1 VAL 20 -0.803 -14.844 -4.037 761 1HG2 VAL 20 1HG2 VAL 20 0.610 -14.013 -7.397 762 2HG2 VAL 20 2HG2 VAL 20 0.852 -13.781 -5.665 763 3HG2 VAL 20 3HG2 VAL 20 -0.509 -13.007 -6.477 764 H ASP 21 H ASP 21 -1.032 -17.670 -4.298 765 HA ASP 21 HA ASP 21 -1.936 -19.832 -6.045 766 1HB ASP 21 2HB ASP 21 -1.899 -21.166 -4.017 767 2HB ASP 21 1HB ASP 21 -0.343 -20.441 -4.329 768 H LEU 22 H LEU 22 -3.144 -17.192 -5.088 769 HA LEU 22 HA LEU 22 -5.546 -17.910 -3.720 770 1HB LEU 22 2HB LEU 22 -4.736 -15.413 -5.214 771 2HB LEU 22 1HB LEU 22 -6.245 -15.585 -4.348 772 HG LEU 22 HG LEU 22 -3.494 -15.704 -3.116 773 1HD1 LEU 22 1HD1 LEU 22 -5.641 -13.591 -2.953 774 2HD1 LEU 22 2HD1 LEU 22 -4.120 -13.459 -3.839 775 3HD1 LEU 22 3HD1 LEU 22 -4.107 -13.584 -2.081 776 1HD2 LEU 22 1HD2 LEU 22 -4.687 -15.712 -0.975 777 2HD2 LEU 22 2HD2 LEU 22 -5.067 -17.139 -1.938 778 3HD2 LEU 22 3HD2 LEU 22 -6.224 -15.814 -1.836 779 H LYS 23 H LYS 23 -7.631 -16.791 -5.000 780 HA LYS 23 HA LYS 23 -7.772 -18.385 -7.467 781 1HB LYS 23 2HB LYS 23 -9.812 -17.944 -5.295 782 2HB LYS 23 1HB LYS 23 -10.250 -18.530 -6.888 783 1HG LYS 23 2HG LYS 23 -8.097 -19.933 -5.391 784 2HG LYS 23 1HG LYS 23 -9.774 -20.198 -4.924 785 1HD LYS 23 2HD LYS 23 -8.988 -21.900 -6.502 786 2HD LYS 23 1HD LYS 23 -10.309 -20.949 -7.175 787 1HE LYS 23 2HE LYS 23 -8.603 -21.323 -8.857 788 2HE LYS 23 1HE LYS 23 -8.691 -19.614 -8.448 789 1HZ LYS 23 1HZ LYS 23 -6.722 -19.848 -7.091 790 2HZ LYS 23 2HZ LYS 23 -6.411 -20.407 -8.660 791 3HZ LYS 23 3HZ LYS 23 -6.657 -21.515 -7.400 792 H GLU 24 H GLU 24 -9.659 -17.659 -8.894 793 HA GLU 24 HA GLU 24 -9.043 -14.997 -9.646 794 1HB GLU 24 2HB GLU 24 -11.068 -16.976 -10.705 795 2HB GLU 24 1HB GLU 24 -10.731 -15.426 -11.436 796 1HG GLU 24 2HG GLU 24 -9.540 -17.035 -12.682 797 2HG GLU 24 1HG GLU 24 -8.357 -16.162 -11.713 798 H GLY 25 H GLY 25 -10.226 -13.222 -9.609 799 1HA GLY 25 2HA GLY 25 -11.311 -11.664 -8.340 800 2HA GLY 25 1HA GLY 25 -12.699 -12.734 -8.484 801 H GLU 26 H GLU 26 -9.588 -12.737 -6.834 802 HA GLU 26 HA GLU 26 -10.799 -13.708 -4.408 803 1HB GLU 26 2HB GLU 26 -8.548 -14.408 -5.274 804 2HB GLU 26 1HB GLU 26 -7.966 -12.790 -4.929 805 1HG GLU 26 2HG GLU 26 -7.353 -14.314 -3.202 806 2HG GLU 26 1HG GLU 26 -8.475 -13.106 -2.581 807 H ARG 27 H ARG 27 -11.248 -12.477 -2.614 808 HA ARG 27 HA ARG 27 -11.407 -9.619 -3.075 809 1HB ARG 27 2HB ARG 27 -13.162 -11.154 -1.994 810 2HB ARG 27 1HB ARG 27 -12.222 -10.953 -0.534 811 1HG ARG 27 2HG ARG 27 -13.945 -9.354 -0.431 812 2HG ARG 27 1HG ARG 27 -12.486 -8.466 -0.879 813 1HD ARG 27 2HD ARG 27 -13.148 -8.381 -3.170 814 2HD ARG 27 1HD ARG 27 -14.478 -9.498 -2.883 815 HE ARG 27 HE ARG 27 -14.422 -6.803 -1.673 816 1HH1 ARG 27 1HH1 ARG 27 -16.062 -9.363 -3.437 817 2HH1 ARG 27 2HH1 ARG 27 -17.537 -8.464 -3.618 818 1HH2 ARG 27 1HH2 ARG 27 -16.386 -5.636 -1.882 819 2HH2 ARG 27 2HH2 ARG 27 -17.733 -6.357 -2.717 820 H VAL 28 H VAL 28 -9.717 -8.544 -2.745 821 HA VAL 28 HA VAL 28 -8.043 -9.068 -0.382 822 HB VAL 28 HB VAL 28 -6.025 -8.616 -1.722 823 1HG1 VAL 28 1HG1 VAL 28 -7.701 -10.876 -2.804 824 2HG1 VAL 28 2HG1 VAL 28 -6.726 -10.921 -1.335 825 3HG1 VAL 28 3HG1 VAL 28 -5.946 -10.744 -2.907 826 1HG2 VAL 28 1HG2 VAL 28 -6.177 -8.676 -4.185 827 2HG2 VAL 28 2HG2 VAL 28 -6.977 -7.268 -3.485 828 3HG2 VAL 28 3HG2 VAL 28 -7.935 -8.635 -4.054 829 H LYS 29 H LYS 29 -6.818 -7.317 0.402 830 HA LYS 29 HA LYS 29 -7.594 -4.678 -0.620 831 1HB LYS 29 2HB LYS 29 -7.377 -5.674 2.193 832 2HB LYS 29 1HB LYS 29 -7.201 -3.973 1.811 833 1HG LYS 29 2HG LYS 29 -9.388 -4.000 0.718 834 2HG LYS 29 1HG LYS 29 -9.577 -5.691 1.176 835 1HD LYS 29 2HD LYS 29 -8.945 -3.753 3.319 836 2HD LYS 29 1HD LYS 29 -10.548 -3.693 2.602 837 1HE LYS 29 2HE LYS 29 -9.241 -6.098 3.861 838 2HE LYS 29 1HE LYS 29 -10.540 -5.135 4.562 839 1HZ LYS 29 1HZ LYS 29 -10.671 -6.911 2.194 840 2HZ LYS 29 2HZ LYS 29 -11.880 -5.774 2.544 841 3HZ LYS 29 3HZ LYS 29 -11.551 -7.026 3.637 842 H ILE 30 H ILE 30 -6.029 -3.219 -0.763 843 HA ILE 30 HA ILE 30 -3.321 -4.389 -0.701 844 HB ILE 30 HB ILE 30 -3.749 -1.901 -2.195 845 1HG1 ILE 30 2HG1 ILE 30 -5.783 -3.185 -2.829 846 2HG1 ILE 30 1HG1 ILE 30 -4.670 -2.979 -4.174 847 1HG2 ILE 30 1HG2 ILE 30 -2.267 -4.449 -2.749 848 2HG2 ILE 30 2HG2 ILE 30 -1.595 -2.944 -2.120 849 3HG2 ILE 30 3HG2 ILE 30 -2.222 -3.011 -3.767 850 1HD1 ILE 30 1HD1 ILE 30 -5.041 -5.466 -2.524 851 2HD1 ILE 30 2HD1 ILE 30 -3.860 -5.271 -3.817 852 3HD1 ILE 30 3HD1 ILE 30 -5.583 -5.205 -4.182 853 H LYS 31 H LYS 31 -1.995 -3.632 0.674 854 HA LYS 31 HA LYS 31 -2.510 -1.056 1.940 855 1HB LYS 31 2HB LYS 31 -2.444 -3.166 3.347 856 2HB LYS 31 1HB LYS 31 -0.732 -3.265 2.974 857 1HG LYS 31 2HG LYS 31 -0.977 -2.237 5.103 858 2HG LYS 31 1HG LYS 31 -0.454 -1.001 3.956 859 1HD LYS 31 2HD LYS 31 -2.153 0.048 5.119 860 2HD LYS 31 1HD LYS 31 -2.966 -0.516 3.673 861 1HE LYS 31 2HE LYS 31 -4.355 -0.984 5.595 862 2HE LYS 31 1HE LYS 31 -3.757 -2.496 4.915 863 1HZ LYS 31 1HZ LYS 31 -3.632 -2.489 7.330 864 2HZ LYS 31 2HZ LYS 31 -2.642 -1.114 7.302 865 3HZ LYS 31 3HZ LYS 31 -2.080 -2.575 6.656 866 H LEU 32 H LEU 32 -1.161 0.539 1.486 867 HA LEU 32 HA LEU 32 1.006 0.116 -0.335 868 1HB LEU 32 2HB LEU 32 0.552 2.653 1.199 869 2HB LEU 32 1HB LEU 32 1.162 2.453 -0.431 870 HG LEU 32 HG LEU 32 -1.683 2.004 0.447 871 1HD1 LEU 32 1HD1 LEU 32 -2.162 3.965 -0.972 872 2HD1 LEU 32 2HD1 LEU 32 -0.426 4.213 -1.171 873 3HD1 LEU 32 3HD1 LEU 32 -1.162 4.353 0.428 874 1HD2 LEU 32 1HD2 LEU 32 -2.165 1.761 -1.946 875 2HD2 LEU 32 2HD2 LEU 32 -1.086 0.497 -1.353 876 3HD2 LEU 32 3HD2 LEU 32 -0.439 1.843 -2.293 877 H GLU 33 H GLU 33 2.942 -0.619 0.287 878 HA GLU 33 HA GLU 33 3.991 0.095 2.899 879 1HB GLU 33 2HB GLU 33 3.283 -2.689 2.010 880 2HB GLU 33 1HB GLU 33 4.399 -2.355 3.304 881 1HG GLU 33 2HG GLU 33 2.609 -1.160 4.511 882 2HG GLU 33 1HG GLU 33 1.494 -1.601 3.217 883 H LEU 34 H LEU 34 6.157 -0.387 3.187 884 HA LEU 34 HA LEU 34 7.666 -1.561 0.996 885 1HB LEU 34 2HB LEU 34 7.945 1.236 2.000 886 2HB LEU 34 1HB LEU 34 9.386 0.363 1.530 887 HG LEU 34 HG LEU 34 7.035 0.685 -0.313 888 1HD1 LEU 34 1HD1 LEU 34 7.855 2.905 0.302 889 2HD1 LEU 34 2HD1 LEU 34 8.267 2.513 -1.367 890 3HD1 LEU 34 3HD1 LEU 34 9.496 2.414 -0.107 891 1HD2 LEU 34 1HD2 LEU 34 8.708 0.180 -2.025 892 2HD2 LEU 34 2HD2 LEU 34 8.580 -1.120 -0.839 893 3HD2 LEU 34 3HD2 LEU 34 9.934 0.009 -0.770 894 H LYS 35 H LYS 35 9.858 -2.097 1.660 895 HA LYS 35 HA LYS 35 9.965 -2.739 4.508 896 1HB LYS 35 2HB LYS 35 11.253 -3.905 2.066 897 2HB LYS 35 1HB LYS 35 11.925 -4.198 3.653 898 1HG LYS 35 2HG LYS 35 9.729 -5.121 4.361 899 2HG LYS 35 1HG LYS 35 9.176 -4.938 2.693 900 1HD LYS 35 2HD LYS 35 10.811 -6.489 1.909 901 2HD LYS 35 1HD LYS 35 11.605 -6.537 3.486 902 1HE LYS 35 2HE LYS 35 9.528 -7.497 4.444 903 2HE LYS 35 1HE LYS 35 8.844 -7.557 2.819 904 1HZ LYS 35 1HZ LYS 35 9.861 -9.670 3.637 905 2HZ LYS 35 2HZ LYS 35 11.377 -8.909 3.571 906 3HZ LYS 35 3HZ LYS 35 10.472 -9.121 2.153 907 H VAL 36 H VAL 36 12.184 -2.692 5.473 908 HA VAL 36 HA VAL 36 13.324 -0.078 5.042 909 HB VAL 36 HB VAL 36 14.317 -2.242 6.902 910 1HG1 VAL 36 1HG1 VAL 36 15.915 -0.450 6.519 911 2HG1 VAL 36 2HG1 VAL 36 15.277 -0.367 8.163 912 3HG1 VAL 36 3HG1 VAL 36 14.688 0.750 6.931 913 1HG2 VAL 36 1HG2 VAL 36 12.295 -0.066 7.446 914 2HG2 VAL 36 2HG2 VAL 36 12.992 -1.144 8.656 915 3HG2 VAL 36 3HG2 VAL 36 11.970 -1.801 7.377 916 H GLU 37 H GLU 37 15.349 0.374 4.252 917 HA GLU 37 HA GLU 37 16.409 -1.276 2.270 918 1HB GLU 37 2HB GLU 37 18.282 0.354 2.295 919 2HB GLU 37 1HB GLU 37 16.704 1.106 2.192 920 1HG GLU 37 2HG GLU 37 16.855 1.418 4.697 921 2HG GLU 37 1HG GLU 37 18.552 0.967 4.550 922 HA PRO 38 HA PRO 38 18.655 -4.088 4.845 923 1HB PRO 38 2HB PRO 38 19.822 -5.168 2.408 924 2HB PRO 38 1HB PRO 38 18.629 -5.899 3.482 925 1HG PRO 38 2HG PRO 38 18.052 -5.064 0.961 926 2HG PRO 38 1HG PRO 38 16.861 -5.097 2.274 927 1HD PRO 38 2HD PRO 38 18.411 -2.785 1.178 928 2HD PRO 38 1HD PRO 38 16.717 -2.871 1.692 929 H ILE 39 H ILE 39 20.908 -4.985 4.907 930 HA ILE 39 HA ILE 39 22.752 -2.767 4.805 931 HB ILE 39 HB ILE 39 24.324 -4.398 5.925 932 1HG1 ILE 39 2HG1 ILE 39 23.025 -6.288 7.132 933 2HG1 ILE 39 1HG1 ILE 39 21.856 -6.115 5.833 934 1HG2 ILE 39 1HG2 ILE 39 23.161 -4.221 8.100 935 2HG2 ILE 39 2HG2 ILE 39 21.710 -3.711 7.238 936 3HG2 ILE 39 3HG2 ILE 39 23.168 -2.720 7.176 937 1HD1 ILE 39 1HD1 ILE 39 23.588 -6.634 4.201 938 2HD1 ILE 39 2HD1 ILE 39 23.407 -7.921 5.392 939 3HD1 ILE 39 3HD1 ILE 39 24.766 -6.802 5.504 940 H ASP 40 H ASP 40 25.003 -3.145 4.028 941 HA ASP 40 HA ASP 40 25.039 -4.901 1.665 942 1HB ASP 40 2HB ASP 40 24.921 -2.420 1.140 943 2HB ASP 40 1HB ASP 40 26.500 -2.260 1.899 944 H LEU 41 H LEU 41 27.252 -5.632 1.080 945 HA LEU 41 HA LEU 41 29.145 -5.637 3.284 946 1HB LEU 41 2HB LEU 41 29.259 -8.038 3.460 947 2HB LEU 41 1HB LEU 41 27.625 -7.501 3.786 948 HG LEU 41 HG LEU 41 28.417 -8.552 1.077 949 1HD1 LEU 41 1HD1 LEU 41 27.578 -10.735 1.791 950 2HD1 LEU 41 2HD1 LEU 41 27.405 -10.126 3.438 951 3HD1 LEU 41 3HD1 LEU 41 29.005 -10.253 2.707 952 1HD2 LEU 41 1HD2 LEU 41 26.031 -9.052 0.906 953 2HD2 LEU 41 2HD2 LEU 41 26.294 -7.339 1.228 954 3HD2 LEU 41 3HD2 LEU 41 25.773 -8.409 2.528 955 H GLY 42 H GLY 42 31.212 -6.406 2.749 956 1HA GLY 42 2HA GLY 42 31.833 -7.304 0.091 957 2HA GLY 42 1HA GLY 42 32.325 -5.643 0.379 958 H GLU 43 H GLU 43 33.379 -8.712 0.409 959 HA GLU 43 HA GLU 43 35.056 -8.419 2.800 960 1HB GLU 43 2HB GLU 43 33.577 -10.431 2.573 961 2HB GLU 43 1HB GLU 43 34.541 -10.912 1.186 962 1HG GLU 43 2HG GLU 43 36.476 -11.208 2.536 963 2HG GLU 43 1HG GLU 43 35.675 -10.497 3.935 964 HA PRO 44 HA PRO 44 38.781 -7.459 0.639 965 1HB PRO 44 2HB PRO 44 39.904 -9.565 2.437 966 2HB PRO 44 1HB PRO 44 40.509 -7.939 2.089 967 1HG PRO 44 2HG PRO 44 39.213 -8.429 4.354 968 2HG PRO 44 1HG PRO 44 38.950 -6.918 3.464 969 1HD PRO 44 2HD PRO 44 37.190 -9.305 3.708 970 2HD PRO 44 1HD PRO 44 36.756 -7.595 3.516 971 H VAL 45 H VAL 45 40.057 -8.198 -0.971 972 HA VAL 45 HA VAL 45 39.221 -10.585 -2.308 973 HB VAL 45 HB VAL 45 41.582 -8.869 -3.047 974 1HG1 VAL 45 1HG1 VAL 45 41.078 -9.565 -5.324 975 2HG1 VAL 45 2HG1 VAL 45 39.707 -10.509 -4.745 976 3HG1 VAL 45 3HG1 VAL 45 41.347 -10.965 -4.285 977 1HG2 VAL 45 1HG2 VAL 45 38.685 -8.385 -3.727 978 2HG2 VAL 45 2HG2 VAL 45 40.060 -7.504 -4.391 979 3HG2 VAL 45 3HG2 VAL 45 39.690 -7.393 -2.671 980 H SER 46 H SER 46 40.730 -12.253 -3.053 981 HA SER 46 HA SER 46 42.202 -13.258 -0.793 982 1HB SER 46 2HB SER 46 41.788 -14.571 -3.480 983 2HB SER 46 1HB SER 46 42.141 -15.347 -1.940 984 HG SER 46 HG SER 46 40.111 -14.918 -1.226 985 H VAL 47 H VAL 47 44.168 -14.741 -1.597 986 HA VAL 47 HA VAL 47 45.997 -13.048 -3.172 987 HB VAL 47 HB VAL 47 46.711 -15.027 -0.989 988 1HG1 VAL 47 1HG1 VAL 47 48.436 -13.067 -2.505 989 2HG1 VAL 47 2HG1 VAL 47 48.459 -14.823 -2.676 990 3HG1 VAL 47 3HG1 VAL 47 48.966 -14.078 -1.161 991 1HG2 VAL 47 1HG2 VAL 47 47.342 -13.025 0.312 992 2HG2 VAL 47 2HG2 VAL 47 45.616 -13.106 -0.032 993 3HG2 VAL 47 3HG2 VAL 47 46.649 -12.013 -0.954 994 H GLU 48 H GLU 48 47.413 -14.181 -4.676 995 HA GLU 48 HA GLU 48 45.975 -16.383 -5.844 996 1HB GLU 48 2HB GLU 48 47.406 -16.165 -7.752 997 2HB GLU 48 1HB GLU 48 46.890 -14.568 -7.253 998 1HG GLU 48 2HG GLU 48 49.540 -15.713 -6.448 999 2HG GLU 48 1HG GLU 48 49.307 -14.867 -7.972 1000 H GLU 49 H GLU 49 46.535 -18.437 -5.969 1001 HA GLU 49 HA GLU 49 48.610 -19.384 -4.196 1002 1HB GLU 49 2HB GLU 49 46.386 -20.437 -4.218 1003 2HB GLU 49 1HB GLU 49 46.637 -20.915 -5.890 1004 1HG GLU 49 2HG GLU 49 48.510 -22.326 -5.213 1005 2HG GLU 49 1HG GLU 49 48.272 -21.836 -3.537 1006 H ILE 50 H ILE 50 48.142 -18.905 -7.546 1007 HA ILE 50 HA ILE 50 50.050 -20.839 -8.479 1008 HB ILE 50 HB ILE 50 48.834 -18.496 -9.981 1009 1HG1 ILE 50 2HG1 ILE 50 47.476 -20.470 -11.014 1010 2HG1 ILE 50 1HG1 ILE 50 47.878 -21.306 -9.523 1011 1HG2 ILE 50 1HG2 ILE 50 49.400 -19.770 -12.001 1012 2HG2 ILE 50 2HG2 ILE 50 50.188 -20.989 -11.001 1013 3HG2 ILE 50 3HG2 ILE 50 50.835 -19.350 -11.064 1014 1HD1 ILE 50 1HD1 ILE 50 46.464 -18.656 -9.645 1015 2HD1 ILE 50 2HD1 ILE 50 46.713 -19.666 -8.221 1016 3HD1 ILE 50 3HD1 ILE 50 45.654 -20.214 -9.519 1017 H LYS 51 H LYS 51 50.319 -18.006 -6.893 1018 HA LYS 51 HA LYS 51 52.396 -16.596 -8.142 1019 1HB LYS 51 2HB LYS 51 50.955 -15.884 -6.177 1020 2HB LYS 51 1HB LYS 51 52.002 -16.860 -5.166 1021 1HG LYS 51 2HG LYS 51 52.671 -14.561 -5.029 1022 2HG LYS 51 1HG LYS 51 53.919 -15.474 -5.879 1023 1HD LYS 51 2HD LYS 51 53.463 -14.487 -7.892 1024 2HD LYS 51 1HD LYS 51 51.777 -14.184 -7.479 1025 1HE LYS 51 2HE LYS 51 54.112 -12.724 -6.256 1026 2HE LYS 51 1HE LYS 51 53.171 -12.125 -7.622 1027 1HZ LYS 51 1HZ LYS 51 51.182 -12.211 -6.196 1028 2HZ LYS 51 2HZ LYS 51 52.357 -11.150 -5.597 1029 3HZ LYS 51 3HZ LYS 51 52.149 -12.673 -4.880 1030 H LYS 52 H LYS 52 54.539 -16.927 -8.252 1031 HA LYS 52 HA LYS 52 55.736 -19.000 -6.581 1032 1HB LYS 52 2HB LYS 52 57.088 -19.558 -8.671 1033 2HB LYS 52 1HB LYS 52 55.440 -20.148 -8.595 1034 1HG LYS 52 2HG LYS 52 54.733 -18.286 -10.018 1035 2HG LYS 52 1HG LYS 52 56.404 -17.724 -10.106 1036 1HD LYS 52 2HD LYS 52 55.884 -18.983 -12.095 1037 2HD LYS 52 1HD LYS 52 57.034 -19.899 -11.122 1038 1HE LYS 52 2HE LYS 52 55.313 -21.374 -11.982 1039 2HE LYS 52 1HE LYS 52 55.180 -21.249 -10.229 1040 1HZ LYS 52 1HZ LYS 52 53.526 -19.694 -12.147 1041 2HZ LYS 52 2HZ LYS 52 53.342 -19.754 -10.460 1042 3HZ LYS 52 3HZ LYS 52 53.026 -21.134 -11.395 1043 H ILE 53 H ILE 53 57.343 -18.157 -5.460 1044 HA ILE 53 HA ILE 53 58.963 -16.048 -6.720 1045 HB ILE 53 HB ILE 53 58.772 -16.532 -3.742 1046 1HG1 ILE 53 2HG1 ILE 53 57.465 -14.279 -3.882 1047 2HG1 ILE 53 1HG1 ILE 53 57.117 -14.772 -5.529 1048 1HG2 ILE 53 1HG2 ILE 53 60.787 -15.395 -4.553 1049 2HG2 ILE 53 2HG2 ILE 53 59.777 -14.320 -3.587 1050 3HG2 ILE 53 3HG2 ILE 53 59.779 -14.181 -5.345 1051 1HD1 ILE 53 1HD1 ILE 53 56.062 -16.807 -4.697 1052 2HD1 ILE 53 2HD1 ILE 53 55.305 -15.360 -4.033 1053 3HD1 ILE 53 3HD1 ILE 53 56.411 -16.311 -3.041 1054 H ARG 54 H ARG 54 60.490 -17.336 -7.694 1055 HA ARG 54 HA ARG 54 61.884 -19.268 -5.960 1056 1HB ARG 54 2HB ARG 54 61.489 -19.275 -8.950 1057 2HB ARG 54 1HB ARG 54 62.557 -20.382 -8.104 1058 1HG ARG 54 2HG ARG 54 60.638 -21.226 -6.821 1059 2HG ARG 54 1HG ARG 54 59.577 -20.162 -7.746 1060 1HD ARG 54 2HD ARG 54 59.571 -22.452 -8.623 1061 2HD ARG 54 1HD ARG 54 60.189 -21.296 -9.801 1062 HE ARG 54 HE ARG 54 62.447 -22.190 -8.632 1063 1HH1 ARG 54 1HH1 ARG 54 59.692 -23.875 -10.003 1064 2HH1 ARG 54 2HH1 ARG 54 60.625 -25.258 -10.490 1065 1HH2 ARG 54 1HH2 ARG 54 63.669 -23.981 -9.284 1066 2HH2 ARG 54 2HH2 ARG 54 62.896 -25.319 -10.077 1067 H ASP 55 H ASP 55 64.107 -19.371 -5.972 1068 HA ASP 55 HA ASP 55 65.455 -16.995 -7.080 1069 1HB ASP 55 2HB ASP 55 66.037 -18.698 -4.665 1070 2HB ASP 55 1HB ASP 55 67.261 -17.646 -5.363 1071 H GLY 56 H GLY 56 67.728 -17.326 -7.743 1072 1HA GLY 56 2HA GLY 56 68.148 -20.018 -8.889 1073 2HA GLY 56 1HA GLY 56 68.326 -18.572 -9.877 1074 H THR 57 H THR 57 69.930 -20.793 -8.000 1075 HA THR 57 HA THR 57 72.089 -18.916 -7.331 1076 HB THR 57 HB THR 57 71.903 -21.748 -6.370 1077 HG1 THR 57 HG1 THR 57 71.117 -19.629 -4.705 1078 1HG2 THR 57 1HG2 THR 57 73.307 -20.897 -4.539 1079 2HG2 THR 57 2HG2 THR 57 73.297 -19.302 -5.293 1080 3HG2 THR 57 3HG2 THR 57 74.066 -20.662 -6.114 1081 H TRP 58 H TRP 58 73.745 -18.882 -8.602 1082 HA TRP 58 HA TRP 58 74.609 -21.294 -9.999 1083 1HB TRP 58 2HB TRP 58 74.555 -18.415 -10.745 1084 2HB TRP 58 1HB TRP 58 75.885 -19.386 -11.319 1085 HD1 TRP 58 HD1 TRP 58 74.226 -22.059 -11.966 1086 HE1 TRP 58 HE1 TRP 58 72.640 -22.082 -13.999 1087 HE3 TRP 58 HE3 TRP 58 73.575 -17.019 -12.532 1088 HZ2 TRP 58 HZ2 TRP 58 71.308 -20.196 -15.630 1089 HZ3 TRP 58 HZ3 TRP 58 72.135 -16.214 -14.356 1090 HH2 TRP 58 HH2 TRP 58 71.028 -17.769 -15.870 1091 H MET 59 H MET 59 76.764 -21.881 -9.778 1092 HA MET 59 HA MET 59 78.385 -20.171 -8.017 1093 1HB MET 59 2HB MET 59 77.441 -21.887 -6.584 1094 2HB MET 59 1HB MET 59 77.981 -23.147 -7.684 1095 1HG MET 59 2HG MET 59 80.317 -22.483 -7.237 1096 2HG MET 59 1HG MET 59 79.726 -21.319 -6.052 1097 1HE MET 59 1HE MET 59 81.899 -23.593 -5.457 1098 2HE MET 59 2HE MET 59 81.359 -24.156 -3.874 1099 3HE MET 59 3HE MET 59 81.357 -22.432 -4.248 1100 H SER 60 H SER 60 80.235 -19.708 -8.959 1101 HA SER 60 HA SER 60 81.448 -21.489 -10.885 1102 1HB SER 60 2HB SER 60 83.334 -19.811 -10.789 1103 2HB SER 60 1HB SER 60 81.776 -19.121 -11.240 1104 HG SER 60 HG SER 60 82.070 -19.071 -8.561 1105 H SER 61 H SER 61 83.341 -22.721 -10.515 1106 HA SER 61 HA SER 61 83.544 -23.726 -7.834 1107 1HB SER 61 2HB SER 61 85.220 -24.376 -10.266 1108 2HB SER 61 1HB SER 61 85.134 -25.316 -8.775 1109 HG SER 61 HG SER 61 83.142 -24.924 -10.752 1110 H LEU 62 H LEU 62 84.669 -20.998 -9.069 1111 HA LEU 62 HA LEU 62 86.357 -19.562 -8.737 1112 1HB LEU 62 2HB LEU 62 86.712 -21.200 -6.223 1113 2HB LEU 62 1HB LEU 62 87.397 -19.620 -6.522 1114 HG LEU 62 HG LEU 62 84.453 -20.229 -6.315 1115 1HD1 LEU 62 1HD1 LEU 62 86.327 -18.813 -4.426 1116 2HD1 LEU 62 2HD1 LEU 62 85.560 -20.379 -4.166 1117 3HD1 LEU 62 3HD1 LEU 62 84.577 -18.917 -4.243 1118 1HD2 LEU 62 1HD2 LEU 62 84.153 -17.806 -6.397 1119 2HD2 LEU 62 2HD2 LEU 62 84.912 -18.400 -7.874 1120 3HD2 LEU 62 3HD2 LEU 62 85.886 -17.591 -6.645 1121 H GLU 63 H GLU 63 86.904 -21.668 -10.419 1122 HA GLU 63 HA GLU 63 89.315 -23.005 -9.842 1123 1HB GLU 63 2HB GLU 63 89.433 -23.137 -12.448 1124 2HB GLU 63 1HB GLU 63 88.188 -24.015 -11.577 1125 1HG GLU 63 2HG GLU 63 87.628 -21.283 -12.653 1126 2HG GLU 63 1HG GLU 63 87.577 -22.693 -13.710 1127 H HIS 64 H HIS 64 90.830 -21.727 -9.064 1128 HA HIS 64 HA HIS 64 91.530 -19.190 -10.182 1129 1HB HIS 64 2HB HIS 64 91.682 -19.742 -7.764 1130 2HB HIS 64 1HB HIS 64 92.952 -20.901 -8.124 1131 HD1 HIS 64 HD1 HIS 64 95.303 -20.029 -8.361 1132 HD2 HIS 64 HD2 HIS 64 92.466 -17.008 -7.982 1133 HE1 HIS 64 HE1 HIS 64 96.609 -17.913 -7.972 1134 HE2 HIS 64 HE2 HIS 64 94.864 -16.165 -7.482 1135 H HIS 65 H HIS 65 92.390 -19.275 -12.209 1136 HA HIS 65 HA HIS 65 94.247 -21.324 -12.958 1137 1HB HIS 65 2HB HIS 65 94.365 -20.264 -15.111 1138 2HB HIS 65 1HB HIS 65 92.689 -20.245 -14.593 1139 HD1 HIS 65 HD1 HIS 65 95.238 -18.136 -15.987 1140 HD2 HIS 65 HD2 HIS 65 91.941 -17.551 -13.517 1141 HE1 HIS 65 HE1 HIS 65 94.752 -15.669 -16.071 1142 HE2 HIS 65 HE2 HIS 65 92.703 -15.343 -14.640 1143 H HIS 66 H HIS 66 96.274 -21.388 -12.358 1144 HA HIS 66 HA HIS 66 97.513 -18.882 -11.469 1145 1HB HIS 66 2HB HIS 66 98.935 -20.195 -10.008 1146 2HB HIS 66 1HB HIS 66 97.249 -20.589 -9.708 1147 HD1 HIS 66 HD1 HIS 66 100.355 -22.203 -9.889 1148 HD2 HIS 66 HD2 HIS 66 96.584 -23.066 -11.414 1149 HE1 HIS 66 HE1 HIS 66 100.370 -24.667 -10.386 1150 HE2 HIS 66 HE2 HIS 66 98.163 -25.108 -11.525 1151 H HIS 67 H HIS 67 99.442 -18.233 -12.195 1152 HA HIS 67 HA HIS 67 100.625 -19.809 -14.386 1153 1HB HIS 67 2HB HIS 67 101.676 -17.655 -15.105 1154 2HB HIS 67 1HB HIS 67 99.919 -17.642 -15.168 1155 HD1 HIS 67 HD1 HIS 67 98.704 -15.932 -13.741 1156 HD2 HIS 67 HD2 HIS 67 102.799 -16.057 -13.019 1157 HE1 HIS 67 HE1 HIS 67 99.206 -13.917 -12.324 1158 HE2 HIS 67 HE2 HIS 67 101.640 -14.145 -11.722 1159 H HIS 68 H HIS 68 102.895 -20.083 -14.455 1160 HA HIS 68 HA HIS 68 103.981 -20.430 -11.813 1161 1HB HIS 68 2HB HIS 68 104.324 -22.198 -13.438 1162 2HB HIS 68 1HB HIS 68 105.131 -21.083 -14.536 1163 HD1 HIS 68 HD1 HIS 68 107.590 -21.201 -14.462 1164 HD2 HIS 68 HD2 HIS 68 105.882 -22.370 -10.852 1165 HE1 HIS 68 HE1 HIS 68 109.513 -21.867 -12.982 1166 HE2 HIS 68 HE2 HIS 68 108.471 -22.392 -10.745 1167 H HIS 69 H HIS 69 104.837 -18.804 -10.793 1168 HA HIS 69 HA HIS 69 107.180 -17.539 -11.972 1169 1HB HIS 69 2HB HIS 69 104.771 -16.041 -11.023 1170 2HB HIS 69 1HB HIS 69 106.358 -15.378 -10.655 1171 HD1 HIS 69 HD1 HIS 69 104.259 -14.034 -12.586 1172 HD2 HIS 69 HD2 HIS 69 107.530 -16.329 -13.748 1173 HE1 HIS 69 HE1 HIS 69 104.772 -13.342 -14.948 1174 HE2 HIS 69 HE2 HIS 69 106.667 -14.835 -15.678 Start of MODEL 12 1 1H MET 1 1H MET 1 -2.775 9.941 6.949 2 2H MET 1 2H MET 1 -3.714 10.711 8.129 3 3H MET 1 3H MET 1 -4.258 10.644 6.524 4 HA MET 1 HA MET 1 -3.852 8.315 8.305 5 1HB MET 1 2HB MET 1 -6.310 8.129 8.313 6 2HB MET 1 1HB MET 1 -5.759 9.624 9.048 7 1HG MET 1 2HG MET 1 -6.348 10.863 7.062 8 2HG MET 1 1HG MET 1 -6.810 9.375 6.239 9 1HE MET 1 1HE MET 1 -7.447 10.391 9.982 10 2HE MET 1 2HE MET 1 -9.057 11.103 9.888 11 3HE MET 1 3HE MET 1 -7.687 11.906 9.117 12 HA PRO 2 HA PRO 2 -3.748 6.339 4.293 13 1HB PRO 2 2HB PRO 2 -2.969 3.933 5.667 14 2HB PRO 2 1HB PRO 2 -1.977 4.980 4.651 15 1HG PRO 2 2HG PRO 2 -1.637 4.685 7.360 16 2HG PRO 2 1HG PRO 2 -1.123 6.110 6.441 17 1HD PRO 2 2HD PRO 2 -3.559 5.717 8.134 18 2HD PRO 2 1HD PRO 2 -2.525 7.153 7.960 19 H LYS 3 H LYS 3 -5.143 4.972 3.250 20 HA LYS 3 HA LYS 3 -7.158 3.600 4.902 21 1HB LYS 3 2HB LYS 3 -7.406 4.658 2.084 22 2HB LYS 3 1HB LYS 3 -8.637 3.726 2.913 23 1HG LYS 3 2HG LYS 3 -8.861 5.519 4.567 24 2HG LYS 3 1HG LYS 3 -7.653 6.459 3.685 25 1HD LYS 3 2HD LYS 3 -9.088 6.358 1.677 26 2HD LYS 3 1HD LYS 3 -10.307 5.501 2.618 27 1HE LYS 3 2HE LYS 3 -10.526 7.430 4.096 28 2HE LYS 3 1HE LYS 3 -9.286 8.283 3.176 29 1HZ LYS 3 1HZ LYS 3 -11.476 8.987 2.496 30 2HZ LYS 3 2HZ LYS 3 -11.923 7.388 2.137 31 3HZ LYS 3 3HZ LYS 3 -10.722 8.158 1.223 32 H ILE 4 H ILE 4 -7.896 1.528 4.110 33 HA ILE 4 HA ILE 4 -6.101 0.281 2.206 34 HB ILE 4 HB ILE 4 -7.048 -1.823 2.852 35 1HG1 ILE 4 2HG1 ILE 4 -9.337 -0.894 3.395 36 2HG1 ILE 4 1HG1 ILE 4 -8.722 -2.156 4.425 37 1HG2 ILE 4 1HG2 ILE 4 -6.214 -0.193 5.222 38 2HG2 ILE 4 2HG2 ILE 4 -5.158 -1.056 4.102 39 3HG2 ILE 4 3HG2 ILE 4 -6.249 -1.954 5.159 40 1HD1 ILE 4 1HD1 ILE 4 -7.989 -0.268 5.991 41 2HD1 ILE 4 2HD1 ILE 4 -9.700 -0.675 5.901 42 3HD1 ILE 4 3HD1 ILE 4 -9.088 0.733 5.041 43 H ILE 5 H ILE 5 -6.736 0.128 0.197 44 HA ILE 5 HA ILE 5 -9.533 0.665 -0.410 45 HB ILE 5 HB ILE 5 -8.526 1.389 -2.620 46 1HG1 ILE 5 2HG1 ILE 5 -6.019 1.310 -0.952 47 2HG1 ILE 5 1HG1 ILE 5 -6.315 0.424 -2.446 48 1HG2 ILE 5 1HG2 ILE 5 -7.865 2.928 -0.124 49 2HG2 ILE 5 2HG2 ILE 5 -9.414 2.940 -0.967 50 3HG2 ILE 5 3HG2 ILE 5 -7.979 3.614 -1.743 51 1HD1 ILE 5 1HD1 ILE 5 -6.482 2.588 -3.636 52 2HD1 ILE 5 2HD1 ILE 5 -4.900 2.301 -2.905 53 3HD1 ILE 5 3HD1 ILE 5 -6.041 3.401 -2.133 54 H GLU 6 H GLU 6 -10.328 -0.475 -2.488 55 HA GLU 6 HA GLU 6 -9.492 -3.235 -1.983 56 1HB GLU 6 2HB GLU 6 -12.140 -2.086 -2.804 57 2HB GLU 6 1HB GLU 6 -11.810 -3.809 -2.708 58 1HG GLU 6 2HG GLU 6 -11.255 -3.554 -0.331 59 2HG GLU 6 1HG GLU 6 -11.632 -1.837 -0.446 60 H ALA 7 H ALA 7 -9.067 -4.668 -3.445 61 HA ALA 7 HA ALA 7 -9.634 -4.194 -6.288 62 1HB ALA 7 1HB ALA 7 -7.417 -5.086 -6.872 63 2HB ALA 7 2HB ALA 7 -6.977 -5.123 -5.164 64 3HB ALA 7 3HB ALA 7 -7.291 -3.582 -5.963 65 H VAL 8 H VAL 8 -9.621 -6.328 -7.463 66 HA VAL 8 HA VAL 8 -9.847 -8.613 -5.621 67 HB VAL 8 HB VAL 8 -11.611 -8.377 -8.029 68 1HG1 VAL 8 1HG1 VAL 8 -12.969 -10.038 -6.845 69 2HG1 VAL 8 2HG1 VAL 8 -11.766 -10.065 -5.557 70 3HG1 VAL 8 3HG1 VAL 8 -11.331 -10.603 -7.179 71 1HG2 VAL 8 1HG2 VAL 8 -12.304 -7.520 -5.232 72 2HG2 VAL 8 2HG2 VAL 8 -13.455 -7.692 -6.557 73 3HG2 VAL 8 3HG2 VAL 8 -12.180 -6.474 -6.646 74 H TYR 9 H TYR 9 -8.961 -10.445 -6.278 75 HA TYR 9 HA TYR 9 -7.106 -10.331 -8.515 76 1HB TYR 9 2HB TYR 9 -6.458 -11.240 -6.294 77 2HB TYR 9 1HB TYR 9 -7.664 -12.504 -6.466 78 HD1 TYR 9 HD1 TYR 9 -4.482 -11.208 -7.860 79 HD2 TYR 9 HD2 TYR 9 -7.166 -14.500 -7.597 80 HE1 TYR 9 HE1 TYR 9 -2.776 -12.674 -8.846 81 HE2 TYR 9 HE2 TYR 9 -5.469 -15.973 -8.586 82 HH TYR 9 HH TYR 9 -3.498 -15.836 -9.953 83 H GLU 10 H GLU 10 -7.948 -10.629 -10.415 84 HA GLU 10 HA GLU 10 -9.960 -12.734 -10.833 85 1HB GLU 10 2HB GLU 10 -10.642 -10.261 -10.878 86 2HB GLU 10 1HB GLU 10 -9.781 -10.172 -12.397 87 1HG GLU 10 2HG GLU 10 -12.004 -12.116 -11.884 88 2HG GLU 10 1HG GLU 10 -12.275 -10.490 -12.501 89 H ASN 11 H ASN 11 -9.329 -14.208 -12.171 90 HA ASN 11 HA ASN 11 -8.146 -15.435 -13.653 91 1HB ASN 11 2HB ASN 11 -8.842 -12.965 -14.986 92 2HB ASN 11 1HB ASN 11 -7.373 -13.668 -15.654 93 1HD2 ASN 11 1HD2 ASN 11 -10.786 -14.075 -15.147 94 2HD2 ASN 11 2HD2 ASN 11 -10.980 -15.394 -16.259 95 H GLY 12 H GLY 12 -6.566 -14.339 -11.533 96 1HA GLY 12 2HA GLY 12 -4.320 -14.780 -11.062 97 2HA GLY 12 1HA GLY 12 -3.999 -14.859 -12.786 98 H VAL 13 H VAL 13 -5.735 -12.133 -11.755 99 HA VAL 13 HA VAL 13 -3.284 -10.468 -11.604 100 HB VAL 13 HB VAL 13 -5.796 -9.502 -12.953 101 1HG1 VAL 13 1HG1 VAL 13 -2.913 -8.671 -13.211 102 2HG1 VAL 13 2HG1 VAL 13 -4.166 -7.849 -12.279 103 3HG1 VAL 13 3HG1 VAL 13 -4.285 -7.930 -14.036 104 1HG2 VAL 13 1HG2 VAL 13 -4.809 -10.035 -15.162 105 2HG2 VAL 13 2HG2 VAL 13 -5.220 -11.469 -14.223 106 3HG2 VAL 13 3HG2 VAL 13 -3.539 -10.948 -14.341 107 H PHE 14 H PHE 14 -3.550 -8.654 -10.166 108 HA PHE 14 HA PHE 14 -6.040 -8.646 -8.651 109 1HB PHE 14 2HB PHE 14 -3.512 -7.034 -8.265 110 2HB PHE 14 1HB PHE 14 -4.906 -7.002 -7.207 111 HD1 PHE 14 HD1 PHE 14 -5.447 -8.961 -5.801 112 HD2 PHE 14 HD2 PHE 14 -1.901 -8.776 -8.152 113 HE1 PHE 14 HE1 PHE 14 -4.474 -10.794 -4.480 114 HE2 PHE 14 HE2 PHE 14 -0.927 -10.611 -6.834 115 HZ PHE 14 HZ PHE 14 -2.215 -11.620 -4.998 116 H LYS 15 H LYS 15 -7.647 -7.460 -9.406 117 HA LYS 15 HA LYS 15 -7.050 -5.069 -11.019 118 1HB LYS 15 2HB LYS 15 -9.473 -6.870 -10.858 119 2HB LYS 15 1HB LYS 15 -9.473 -5.335 -11.702 120 1HG LYS 15 2HG LYS 15 -7.745 -6.153 -13.205 121 2HG LYS 15 1HG LYS 15 -7.729 -7.694 -12.341 122 1HD LYS 15 2HD LYS 15 -10.039 -8.098 -12.948 123 2HD LYS 15 1HD LYS 15 -10.141 -6.515 -13.718 124 1HE LYS 15 2HE LYS 15 -8.482 -7.203 -15.366 125 2HE LYS 15 1HE LYS 15 -8.355 -8.781 -14.586 126 1HZ LYS 15 1HZ LYS 15 -9.828 -8.799 -16.540 127 2HZ LYS 15 2HZ LYS 15 -10.849 -7.683 -15.768 128 3HZ LYS 15 3HZ LYS 15 -10.639 -9.233 -15.116 129 HA PRO 16 HA PRO 16 -8.704 -2.969 -7.337 130 1HB PRO 16 2HB PRO 16 -8.506 -0.498 -8.674 131 2HB PRO 16 1HB PRO 16 -7.419 -1.121 -7.443 132 1HG PRO 16 2HG PRO 16 -7.046 -0.919 -10.328 133 2HG PRO 16 1HG PRO 16 -5.845 -1.214 -9.066 134 1HD PRO 16 2HD PRO 16 -6.792 -3.086 -10.904 135 2HD PRO 16 1HD PRO 16 -5.896 -3.446 -9.417 136 H LEU 17 H LEU 17 -10.466 -1.666 -7.004 137 HA LEU 17 HA LEU 17 -12.561 -1.653 -8.950 138 1HB LEU 17 2HB LEU 17 -12.342 -0.248 -6.277 139 2HB LEU 17 1HB LEU 17 -13.805 -0.404 -7.230 140 HG LEU 17 HG LEU 17 -12.293 -2.704 -5.987 141 1HD1 LEU 17 1HD1 LEU 17 -14.880 -1.381 -5.170 142 2HD1 LEU 17 2HD1 LEU 17 -13.349 -1.311 -4.296 143 3HD1 LEU 17 3HD1 LEU 17 -14.202 -2.846 -4.458 144 1HD2 LEU 17 1HD2 LEU 17 -13.441 -3.369 -8.008 145 2HD2 LEU 17 2HD2 LEU 17 -14.926 -2.600 -7.448 146 3HD2 LEU 17 3HD2 LEU 17 -14.286 -4.008 -6.599 147 H GLN 18 H GLN 18 -10.929 0.800 -7.123 148 HA GLN 18 HA GLN 18 -11.016 2.710 -9.365 149 1HB GLN 18 2HB GLN 18 -12.051 4.385 -7.867 150 2HB GLN 18 1HB GLN 18 -13.107 3.033 -8.229 151 1HG GLN 18 2HG GLN 18 -13.403 2.701 -6.044 152 2HG GLN 18 1HG GLN 18 -11.700 2.331 -5.920 153 1HE2 GLN 18 1HE2 GLN 18 -10.610 4.825 -6.413 154 2HE2 GLN 18 2HE2 GLN 18 -10.981 5.846 -5.062 155 H LYS 19 H LYS 19 -9.253 1.230 -7.402 156 HA LYS 19 HA LYS 19 -8.399 3.286 -5.576 157 1HB LYS 19 2HB LYS 19 -7.735 0.353 -5.627 158 2HB LYS 19 1HB LYS 19 -7.433 1.471 -4.306 159 1HG LYS 19 2HG LYS 19 -10.115 0.603 -5.354 160 2HG LYS 19 1HG LYS 19 -9.385 0.162 -3.812 161 1HD LYS 19 2HD LYS 19 -9.369 2.651 -3.284 162 2HD LYS 19 1HD LYS 19 -10.424 2.849 -4.683 163 1HE LYS 19 2HE LYS 19 -12.052 1.331 -3.679 164 2HE LYS 19 1HE LYS 19 -10.991 1.095 -2.291 165 1HZ LYS 19 1HZ LYS 19 -12.605 2.675 -1.664 166 2HZ LYS 19 2HZ LYS 19 -12.416 3.572 -3.088 167 3HZ LYS 19 3HZ LYS 19 -11.184 3.563 -1.928 168 H VAL 20 H VAL 20 -6.275 3.629 -4.999 169 HA VAL 20 HA VAL 20 -4.216 4.379 -5.282 170 HB VAL 20 HB VAL 20 -3.896 2.082 -7.123 171 1HG1 VAL 20 1HG1 VAL 20 -1.888 3.715 -5.647 172 2HG1 VAL 20 2HG1 VAL 20 -2.047 3.523 -7.396 173 3HG1 VAL 20 3HG1 VAL 20 -1.519 2.166 -6.399 174 1HG2 VAL 20 1HG2 VAL 20 -4.701 1.203 -5.070 175 2HG2 VAL 20 2HG2 VAL 20 -3.593 2.228 -4.159 176 3HG2 VAL 20 3HG2 VAL 20 -2.963 0.902 -5.134 177 H ASP 21 H ASP 21 -3.057 5.697 -6.431 178 HA ASP 21 HA ASP 21 -3.530 6.122 -9.277 179 1HB ASP 21 2HB ASP 21 -5.169 7.516 -8.031 180 2HB ASP 21 1HB ASP 21 -3.847 8.287 -7.176 181 H LEU 22 H LEU 22 -1.520 5.267 -7.221 182 HA LEU 22 HA LEU 22 0.399 7.422 -7.168 183 1HB LEU 22 2HB LEU 22 0.396 4.740 -5.839 184 2HB LEU 22 1HB LEU 22 1.545 6.025 -5.543 185 HG LEU 22 HG LEU 22 -1.405 6.051 -4.947 186 1HD1 LEU 22 1HD1 LEU 22 -0.075 4.829 -3.335 187 2HD1 LEU 22 2HD1 LEU 22 -0.674 6.332 -2.635 188 3HD1 LEU 22 3HD1 LEU 22 1.009 6.210 -3.152 189 1HD2 LEU 22 1HD2 LEU 22 -1.032 8.297 -4.009 190 2HD2 LEU 22 2HD2 LEU 22 -0.753 8.250 -5.749 191 3HD2 LEU 22 3HD2 LEU 22 0.617 8.278 -4.638 192 H LYS 23 H LYS 23 -0.218 4.969 -9.162 193 HA LYS 23 HA LYS 23 0.483 5.125 -11.338 194 1HB LYS 23 2HB LYS 23 1.411 7.303 -10.646 195 2HB LYS 23 1HB LYS 23 2.885 6.492 -10.166 196 1HG LYS 23 2HG LYS 23 3.381 5.932 -12.441 197 2HG LYS 23 1HG LYS 23 1.812 6.558 -12.975 198 1HD LYS 23 2HD LYS 23 2.385 8.764 -12.257 199 2HD LYS 23 1HD LYS 23 3.878 8.180 -11.529 200 1HE LYS 23 2HE LYS 23 4.698 7.559 -13.766 201 2HE LYS 23 1HE LYS 23 3.205 8.186 -14.470 202 1HZ LYS 23 1HZ LYS 23 5.378 9.691 -13.136 203 2HZ LYS 23 2HZ LYS 23 3.832 10.352 -13.313 204 3HZ LYS 23 3HZ LYS 23 4.723 9.926 -14.683 205 H GLU 24 H GLU 24 2.217 4.240 -12.736 206 HA GLU 24 HA GLU 24 2.401 1.572 -12.261 207 1HB GLU 24 2HB GLU 24 4.323 3.101 -14.000 208 2HB GLU 24 1HB GLU 24 3.836 1.434 -14.165 209 1HG GLU 24 2HG GLU 24 2.654 2.494 -15.832 210 2HG GLU 24 1HG GLU 24 1.477 2.352 -14.528 211 H GLY 25 H GLY 25 3.630 0.251 -11.201 212 1HA GLY 25 2HA GLY 25 5.614 -0.679 -10.387 213 2HA GLY 25 1HA GLY 25 6.437 0.836 -10.713 214 H GLU 26 H GLU 26 3.527 1.255 -9.021 215 HA GLU 26 HA GLU 26 4.964 2.094 -6.688 216 1HB GLU 26 2HB GLU 26 3.100 3.332 -7.765 217 2HB GLU 26 1HB GLU 26 1.997 2.051 -7.304 218 1HG GLU 26 2HG GLU 26 2.094 4.153 -5.931 219 2HG GLU 26 1HG GLU 26 2.079 2.621 -5.097 220 H ARG 27 H ARG 27 4.938 1.139 -4.660 221 HA ARG 27 HA ARG 27 4.473 -1.732 -4.804 222 1HB ARG 27 2HB ARG 27 6.142 -0.021 -3.048 223 2HB ARG 27 1HB ARG 27 5.735 -1.638 -2.538 224 1HG ARG 27 2HG ARG 27 7.898 -1.654 -3.565 225 2HG ARG 27 1HG ARG 27 6.761 -2.524 -4.596 226 1HD ARG 27 2HD ARG 27 6.636 -0.712 -6.119 227 2HD ARG 27 1HD ARG 27 7.477 0.366 -5.008 228 HE ARG 27 HE ARG 27 8.993 -1.959 -5.842 229 1HH1 ARG 27 1HH1 ARG 27 8.193 1.380 -6.463 230 2HH1 ARG 27 2HH1 ARG 27 9.628 1.701 -7.385 231 1HH2 ARG 27 1HH2 ARG 27 10.889 -1.566 -7.058 232 2HH2 ARG 27 2HH2 ARG 27 11.168 0.014 -7.728 233 H VAL 28 H VAL 28 2.843 -2.558 -4.102 234 HA VAL 28 HA VAL 28 1.558 -1.634 -1.630 235 HB VAL 28 HB VAL 28 -0.597 -2.385 -2.490 236 1HG1 VAL 28 1HG1 VAL 28 0.024 -0.065 -2.879 237 2HG1 VAL 28 2HG1 VAL 28 -0.968 -0.676 -4.202 238 3HG1 VAL 28 3HG1 VAL 28 0.776 -0.510 -4.411 239 1HG2 VAL 28 1HG2 VAL 28 -0.852 -3.044 -4.857 240 2HG2 VAL 28 2HG2 VAL 28 0.133 -4.179 -3.932 241 3HG2 VAL 28 3HG2 VAL 28 0.904 -3.029 -5.024 242 H LYS 29 H LYS 29 0.541 -3.399 -0.399 243 HA LYS 29 HA LYS 29 1.642 -6.009 -1.120 244 1HB LYS 29 2HB LYS 29 1.484 -4.798 1.630 245 2HB LYS 29 1HB LYS 29 1.808 -6.485 1.313 246 1HG LYS 29 2HG LYS 29 3.795 -5.697 -0.063 247 2HG LYS 29 1HG LYS 29 3.518 -4.116 0.669 248 1HD LYS 29 2HD LYS 29 3.609 -5.316 2.910 249 2HD LYS 29 1HD LYS 29 4.254 -6.695 2.023 250 1HE LYS 29 2HE LYS 29 5.463 -3.929 2.051 251 2HE LYS 29 1HE LYS 29 6.018 -5.282 3.032 252 1HZ LYS 29 1HZ LYS 29 6.467 -6.485 0.935 253 2HZ LYS 29 2HZ LYS 29 7.404 -5.093 1.122 254 3HZ LYS 29 3HZ LYS 29 6.080 -5.083 0.067 255 H ILE 30 H ILE 30 0.319 -7.666 -0.902 256 HA ILE 30 HA ILE 30 -2.499 -6.908 -0.835 257 HB ILE 30 HB ILE 30 -1.467 -9.624 -1.499 258 1HG1 ILE 30 2HG1 ILE 30 -0.174 -8.064 -2.897 259 2HG1 ILE 30 1HG1 ILE 30 -1.321 -8.973 -3.872 260 1HG2 ILE 30 1HG2 ILE 30 -3.890 -8.075 -2.354 261 2HG2 ILE 30 2HG2 ILE 30 -3.840 -9.419 -1.214 262 3HG2 ILE 30 3HG2 ILE 30 -3.473 -9.694 -2.916 263 1HD1 ILE 30 1HD1 ILE 30 -1.661 -6.139 -2.924 264 2HD1 ILE 30 2HD1 ILE 30 -2.833 -7.048 -3.877 265 3HD1 ILE 30 3HD1 ILE 30 -1.254 -6.656 -4.559 266 H LYS 31 H LYS 31 -3.795 -7.468 0.635 267 HA LYS 31 HA LYS 31 -3.064 -9.539 2.567 268 1HB LYS 31 2HB LYS 31 -4.125 -6.817 3.041 269 2HB LYS 31 1HB LYS 31 -4.901 -8.107 3.939 270 1HG LYS 31 2HG LYS 31 -3.255 -7.351 5.365 271 2HG LYS 31 1HG LYS 31 -2.570 -8.801 4.650 272 1HD LYS 31 2HD LYS 31 -1.150 -7.571 3.237 273 2HD LYS 31 1HD LYS 31 -2.025 -6.072 3.541 274 1HE LYS 31 2HE LYS 31 -1.150 -5.874 5.719 275 2HE LYS 31 1HE LYS 31 -0.634 -7.559 5.753 276 1HZ LYS 31 1HZ LYS 31 1.044 -7.029 4.086 277 2HZ LYS 31 2HZ LYS 31 1.251 -6.078 5.465 278 3HZ LYS 31 3HZ LYS 31 0.563 -5.406 4.073 279 H LEU 32 H LEU 32 -4.498 -11.089 2.791 280 HA LEU 32 HA LEU 32 -6.819 -11.093 1.062 281 1HB LEU 32 2HB LEU 32 -5.799 -13.162 3.011 282 2HB LEU 32 1HB LEU 32 -7.168 -13.382 1.954 283 HG LEU 32 HG LEU 32 -5.420 -14.538 0.930 284 1HD1 LEU 32 1HD1 LEU 32 -4.984 -13.335 -1.152 285 2HD1 LEU 32 2HD1 LEU 32 -5.568 -11.849 -0.402 286 3HD1 LEU 32 3HD1 LEU 32 -6.669 -13.204 -0.642 287 1HD2 LEU 32 1HD2 LEU 32 -3.191 -13.618 0.509 288 2HD2 LEU 32 2HD2 LEU 32 -3.565 -13.651 2.232 289 3HD2 LEU 32 3HD2 LEU 32 -3.650 -12.132 1.341 290 H GLU 33 H GLU 33 -8.831 -10.571 1.741 291 HA GLU 33 HA GLU 33 -9.119 -9.348 4.253 292 1HB GLU 33 2HB GLU 33 -10.542 -8.734 2.400 293 2HB GLU 33 1HB GLU 33 -11.245 -10.343 2.365 294 1HG GLU 33 2HG GLU 33 -12.755 -8.834 3.426 295 2HG GLU 33 1HG GLU 33 -12.131 -9.970 4.618 296 H LEU 34 H LEU 34 -10.061 -10.003 6.106 297 HA LEU 34 HA LEU 34 -9.582 -12.824 6.580 298 1HB LEU 34 2HB LEU 34 -9.921 -10.457 8.368 299 2HB LEU 34 1HB LEU 34 -10.077 -12.075 9.022 300 HG LEU 34 HG LEU 34 -7.651 -11.093 7.536 301 1HD1 LEU 34 1HD1 LEU 34 -8.128 -11.345 10.503 302 2HD1 LEU 34 2HD1 LEU 34 -7.900 -9.844 9.606 303 3HD1 LEU 34 3HD1 LEU 34 -6.575 -10.999 9.746 304 1HD2 LEU 34 1HD2 LEU 34 -7.988 -13.509 7.455 305 2HD2 LEU 34 2HD2 LEU 34 -8.105 -13.551 9.215 306 3HD2 LEU 34 3HD2 LEU 34 -6.591 -13.084 8.444 307 H LYS 35 H LYS 35 -10.905 -14.134 7.768 308 HA LYS 35 HA LYS 35 -13.760 -13.537 7.600 309 1HB LYS 35 2HB LYS 35 -13.622 -16.266 7.473 310 2HB LYS 35 1HB LYS 35 -13.843 -15.196 6.103 311 1HG LYS 35 2HG LYS 35 -12.023 -16.027 5.203 312 2HG LYS 35 1HG LYS 35 -11.077 -15.352 6.518 313 1HD LYS 35 2HD LYS 35 -12.414 -18.050 6.621 314 2HD LYS 35 1HD LYS 35 -10.745 -17.798 6.115 315 1HE LYS 35 2HE LYS 35 -10.353 -16.688 8.339 316 2HE LYS 35 1HE LYS 35 -11.953 -17.249 8.819 317 1HZ LYS 35 1HZ LYS 35 -10.370 -18.823 9.598 318 2HZ LYS 35 2HZ LYS 35 -9.603 -18.908 8.085 319 3HZ LYS 35 3HZ LYS 35 -11.163 -19.540 8.277 320 H VAL 36 H VAL 36 -15.040 -14.339 9.257 321 HA VAL 36 HA VAL 36 -13.567 -15.004 11.683 322 HB VAL 36 HB VAL 36 -15.152 -13.236 11.938 323 1HG1 VAL 36 1HG1 VAL 36 -17.269 -15.167 11.024 324 2HG1 VAL 36 2HG1 VAL 36 -16.689 -13.761 10.134 325 3HG1 VAL 36 3HG1 VAL 36 -17.564 -13.546 11.651 326 1HG2 VAL 36 1HG2 VAL 36 -16.191 -15.721 13.283 327 2HG2 VAL 36 2HG2 VAL 36 -16.457 -14.061 13.817 328 3HG2 VAL 36 3HG2 VAL 36 -14.832 -14.744 13.836 329 H GLU 37 H GLU 37 -13.617 -16.904 12.607 330 HA GLU 37 HA GLU 37 -15.265 -18.975 11.369 331 1HB GLU 37 2HB GLU 37 -13.388 -20.460 12.376 332 2HB GLU 37 1HB GLU 37 -13.116 -19.623 10.860 333 1HG GLU 37 2HG GLU 37 -11.966 -17.834 12.159 334 2HG GLU 37 1HG GLU 37 -12.120 -18.851 13.590 335 HA PRO 38 HA PRO 38 -16.832 -19.076 15.589 336 1HB PRO 38 2HB PRO 38 -19.352 -19.699 14.961 337 2HB PRO 38 1HB PRO 38 -18.725 -18.067 14.703 338 1HG PRO 38 2HG PRO 38 -19.220 -20.241 12.726 339 2HG PRO 38 1HG PRO 38 -19.404 -18.488 12.543 340 1HD PRO 38 2HD PRO 38 -17.217 -20.028 11.683 341 2HD PRO 38 1HD PRO 38 -17.269 -18.261 11.812 342 H ILE 39 H ILE 39 -18.531 -20.885 16.472 343 HA ILE 39 HA ILE 39 -17.176 -23.415 15.991 344 HB ILE 39 HB ILE 39 -19.329 -22.882 18.033 345 1HG1 ILE 39 2HG1 ILE 39 -17.238 -22.916 19.621 346 2HG1 ILE 39 1HG1 ILE 39 -16.362 -22.429 18.173 347 1HG2 ILE 39 1HG2 ILE 39 -18.998 -25.213 17.559 348 2HG2 ILE 39 2HG2 ILE 39 -18.353 -24.845 19.160 349 3HG2 ILE 39 3HG2 ILE 39 -17.259 -25.045 17.791 350 1HD1 ILE 39 1HD1 ILE 39 -18.684 -20.946 19.388 351 2HD1 ILE 39 2HD1 ILE 39 -17.734 -20.440 17.991 352 3HD1 ILE 39 3HD1 ILE 39 -16.982 -20.531 19.582 353 H ASP 40 H ASP 40 -18.263 -25.254 15.339 354 HA ASP 40 HA ASP 40 -20.854 -24.740 14.036 355 1HB ASP 40 2HB ASP 40 -18.780 -25.210 12.594 356 2HB ASP 40 1HB ASP 40 -18.874 -26.859 13.203 357 H LEU 41 H LEU 41 -22.529 -25.885 14.758 358 HA LEU 41 HA LEU 41 -22.064 -27.825 16.852 359 1HB LEU 41 2HB LEU 41 -24.420 -27.727 17.283 360 2HB LEU 41 1HB LEU 41 -23.830 -26.093 17.071 361 HG LEU 41 HG LEU 41 -25.190 -27.602 14.847 362 1HD1 LEU 41 1HD1 LEU 41 -27.246 -26.423 15.467 363 2HD1 LEU 41 2HD1 LEU 41 -26.448 -25.791 16.907 364 3HD1 LEU 41 3HD1 LEU 41 -26.720 -27.526 16.739 365 1HD2 LEU 41 1HD2 LEU 41 -24.768 -24.659 15.359 366 2HD2 LEU 41 2HD2 LEU 41 -25.617 -25.357 13.980 367 3HD2 LEU 41 3HD2 LEU 41 -23.890 -25.642 14.189 368 H GLY 42 H GLY 42 -23.023 -29.939 16.868 369 1HA GLY 42 2HA GLY 42 -23.469 -31.045 14.177 370 2HA GLY 42 1HA GLY 42 -22.424 -31.845 15.337 371 H GLU 43 H GLU 43 -25.413 -31.766 14.058 372 HA GLU 43 HA GLU 43 -27.044 -32.440 16.276 373 1HB GLU 43 2HB GLU 43 -27.377 -32.932 13.324 374 2HB GLU 43 1HB GLU 43 -28.621 -33.245 14.520 375 1HG GLU 43 2HG GLU 43 -28.710 -30.905 15.097 376 2HG GLU 43 1HG GLU 43 -27.386 -30.559 13.989 377 HA PRO 44 HA PRO 44 -25.540 -36.645 16.623 378 1HB PRO 44 2HB PRO 44 -26.979 -37.322 18.803 379 2HB PRO 44 1HB PRO 44 -25.563 -36.271 18.899 380 1HG PRO 44 2HG PRO 44 -28.461 -35.559 18.928 381 2HG PRO 44 1HG PRO 44 -27.125 -34.871 19.869 382 1HD PRO 44 2HD PRO 44 -28.199 -33.710 17.614 383 2HD PRO 44 1HD PRO 44 -26.552 -33.418 18.202 384 H VAL 45 H VAL 45 -26.309 -38.676 16.089 385 HA VAL 45 HA VAL 45 -29.033 -38.741 15.009 386 HB VAL 45 HB VAL 45 -26.903 -40.815 14.541 387 1HG1 VAL 45 1HG1 VAL 45 -28.183 -41.257 12.491 388 2HG1 VAL 45 2HG1 VAL 45 -29.346 -40.017 12.963 389 3HG1 VAL 45 3HG1 VAL 45 -29.159 -41.469 13.944 390 1HG2 VAL 45 1HG2 VAL 45 -26.350 -39.647 12.438 391 2HG2 VAL 45 2HG2 VAL 45 -25.931 -38.700 13.866 392 3HG2 VAL 45 3HG2 VAL 45 -27.376 -38.303 12.936 393 H SER 46 H SER 46 -30.317 -40.664 15.366 394 HA SER 46 HA SER 46 -30.064 -41.670 18.068 395 1HB SER 46 2HB SER 46 -32.213 -42.195 15.998 396 2HB SER 46 1HB SER 46 -32.314 -42.492 17.729 397 HG SER 46 HG SER 46 -31.705 -39.897 16.886 398 H VAL 47 H VAL 47 -30.689 -44.111 18.302 399 HA VAL 47 HA VAL 47 -28.802 -45.531 16.570 400 HB VAL 47 HB VAL 47 -28.496 -45.600 19.058 401 1HG1 VAL 47 1HG1 VAL 47 -30.963 -47.324 18.968 402 2HG1 VAL 47 2HG1 VAL 47 -30.785 -45.771 19.784 403 3HG1 VAL 47 3HG1 VAL 47 -29.877 -47.170 20.352 404 1HG2 VAL 47 1HG2 VAL 47 -28.876 -48.221 17.630 405 2HG2 VAL 47 2HG2 VAL 47 -27.958 -47.991 19.119 406 3HG2 VAL 47 3HG2 VAL 47 -27.429 -47.212 17.627 407 H GLU 48 H GLU 48 -29.303 -47.323 15.436 408 HA GLU 48 HA GLU 48 -32.108 -48.211 15.380 409 1HB GLU 48 2HB GLU 48 -31.760 -46.562 13.617 410 2HB GLU 48 1HB GLU 48 -30.371 -47.455 13.028 411 1HG GLU 48 2HG GLU 48 -32.233 -47.848 11.591 412 2HG GLU 48 1HG GLU 48 -31.851 -49.330 12.462 413 H GLU 49 H GLU 49 -28.762 -48.894 15.057 414 HA GLU 49 HA GLU 49 -28.845 -51.278 13.576 415 1HB GLU 49 2HB GLU 49 -26.506 -51.532 14.281 416 2HB GLU 49 1HB GLU 49 -26.863 -49.907 13.715 417 1HG GLU 49 2HG GLU 49 -27.234 -49.359 16.201 418 2HG GLU 49 1HG GLU 49 -26.350 -50.855 16.504 419 H ILE 50 H ILE 50 -29.495 -50.740 16.895 420 HA ILE 50 HA ILE 50 -28.353 -53.088 17.973 421 HB ILE 50 HB ILE 50 -30.552 -51.368 19.126 422 1HG1 ILE 50 2HG1 ILE 50 -27.551 -51.315 19.521 423 2HG1 ILE 50 1HG1 ILE 50 -28.494 -50.125 18.633 424 1HG2 ILE 50 1HG2 ILE 50 -28.711 -53.327 20.504 425 2HG2 ILE 50 2HG2 ILE 50 -30.436 -53.562 20.221 426 3HG2 ILE 50 3HG2 ILE 50 -29.884 -52.278 21.300 427 1HD1 ILE 50 1HD1 ILE 50 -27.896 -49.314 20.845 428 2HD1 ILE 50 2HD1 ILE 50 -28.717 -50.690 21.578 429 3HD1 ILE 50 3HD1 ILE 50 -29.642 -49.485 20.683 430 H LYS 51 H LYS 51 -31.191 -52.751 16.146 431 HA LYS 51 HA LYS 51 -32.763 -54.705 17.456 432 1HB LYS 51 2HB LYS 51 -34.184 -54.546 15.500 433 2HB LYS 51 1HB LYS 51 -33.779 -52.962 16.105 434 1HG LYS 51 2HG LYS 51 -32.259 -52.599 14.305 435 2HG LYS 51 1HG LYS 51 -32.400 -54.279 13.777 436 1HD LYS 51 2HD LYS 51 -34.758 -53.924 13.259 437 2HD LYS 51 1HD LYS 51 -34.638 -52.252 13.804 438 1HE LYS 51 2HE LYS 51 -33.077 -53.448 11.517 439 2HE LYS 51 1HE LYS 51 -34.545 -52.486 11.344 440 1HZ LYS 51 1HZ LYS 51 -33.270 -50.725 12.643 441 2HZ LYS 51 2HZ LYS 51 -32.841 -50.979 11.024 442 3HZ LYS 51 3HZ LYS 51 -31.874 -51.619 12.261 443 H LYS 52 H LYS 52 -32.840 -56.856 17.198 444 HA LYS 52 HA LYS 52 -31.449 -58.092 14.944 445 1HB LYS 52 2HB LYS 52 -31.282 -58.803 17.871 446 2HB LYS 52 1HB LYS 52 -30.779 -59.876 16.586 447 1HG LYS 52 2HG LYS 52 -29.195 -58.106 15.818 448 2HG LYS 52 1HG LYS 52 -29.625 -57.189 17.261 449 1HD LYS 52 2HD LYS 52 -28.828 -59.040 18.661 450 2HD LYS 52 1HD LYS 52 -28.385 -59.938 17.208 451 1HE LYS 52 2HE LYS 52 -27.220 -57.330 18.170 452 2HE LYS 52 1HE LYS 52 -26.411 -58.894 18.085 453 1HZ LYS 52 1HZ LYS 52 -26.782 -58.803 15.632 454 2HZ LYS 52 2HZ LYS 52 -25.705 -57.636 16.223 455 3HZ LYS 52 3HZ LYS 52 -27.293 -57.195 15.818 456 H ILE 53 H ILE 53 -32.152 -60.406 14.663 457 HA ILE 53 HA ILE 53 -34.977 -60.738 15.443 458 HB ILE 53 HB ILE 53 -33.827 -61.386 12.714 459 1HG1 ILE 53 2HG1 ILE 53 -35.696 -59.147 13.533 460 2HG1 ILE 53 1HG1 ILE 53 -33.996 -58.953 13.116 461 1HG2 ILE 53 1HG2 ILE 53 -36.671 -61.467 13.720 462 2HG2 ILE 53 2HG2 ILE 53 -35.651 -62.865 13.380 463 3HG2 ILE 53 3HG2 ILE 53 -36.147 -61.797 12.067 464 1HD1 ILE 53 1HD1 ILE 53 -34.475 -59.758 10.856 465 2HD1 ILE 53 2HD1 ILE 53 -35.402 -58.316 11.269 466 3HD1 ILE 53 3HD1 ILE 53 -36.181 -59.897 11.283 467 H ARG 54 H ARG 54 -35.636 -62.843 15.883 468 HA ARG 54 HA ARG 54 -33.503 -64.793 16.282 469 1HB ARG 54 2HB ARG 54 -36.426 -64.968 17.041 470 2HB ARG 54 1HB ARG 54 -35.160 -66.075 17.545 471 1HG ARG 54 2HG ARG 54 -34.078 -64.226 18.765 472 2HG ARG 54 1HG ARG 54 -35.425 -63.178 18.314 473 1HD ARG 54 2HD ARG 54 -36.944 -64.893 19.388 474 2HD ARG 54 1HD ARG 54 -35.491 -65.641 20.044 475 HE ARG 54 HE ARG 54 -35.738 -62.827 20.614 476 1HH1 ARG 54 1HH1 ARG 54 -36.399 -66.083 21.699 477 2HH1 ARG 54 2HH1 ARG 54 -36.703 -65.617 23.341 478 1HH2 ARG 54 1HH2 ARG 54 -36.113 -62.198 22.773 479 2HH2 ARG 54 2HH2 ARG 54 -36.514 -63.404 23.968 480 H ASP 55 H ASP 55 -34.324 -67.169 15.912 481 HA ASP 55 HA ASP 55 -35.454 -67.298 13.192 482 1HB ASP 55 2HB ASP 55 -33.086 -67.937 13.257 483 2HB ASP 55 1HB ASP 55 -33.430 -69.148 14.485 484 H GLY 56 H GLY 56 -36.632 -69.306 12.711 485 1HA GLY 56 2HA GLY 56 -38.366 -69.939 14.978 486 2HA GLY 56 1HA GLY 56 -38.727 -70.233 13.285 487 H THR 57 H THR 57 -37.959 -71.694 16.141 488 HA THR 57 HA THR 57 -36.571 -73.935 14.915 489 HB THR 57 HB THR 57 -36.720 -74.719 17.415 490 HG1 THR 57 HG1 THR 57 -37.561 -73.265 18.688 491 1HG2 THR 57 1HG2 THR 57 -34.640 -74.215 16.252 492 2HG2 THR 57 2HG2 THR 57 -34.610 -73.534 17.879 493 3HG2 THR 57 3HG2 THR 57 -34.912 -72.491 16.489 494 H TRP 58 H TRP 58 -38.034 -75.155 13.804 495 HA TRP 58 HA TRP 58 -40.555 -75.897 14.954 496 1HB TRP 58 2HB TRP 58 -39.099 -76.634 12.415 497 2HB TRP 58 1HB TRP 58 -40.678 -77.248 12.846 498 HD1 TRP 58 HD1 TRP 58 -42.678 -75.349 13.083 499 HE1 TRP 58 HE1 TRP 58 -43.009 -73.149 11.787 500 HE3 TRP 58 HE3 TRP 58 -37.939 -74.790 11.249 501 HZ2 TRP 58 HZ2 TRP 58 -41.454 -71.412 10.189 502 HZ3 TRP 58 HZ3 TRP 58 -37.440 -72.833 9.846 503 HH2 TRP 58 HH2 TRP 58 -39.162 -71.177 9.324 504 H MET 59 H MET 59 -41.121 -78.172 15.362 505 HA MET 59 HA MET 59 -38.820 -79.853 16.031 506 1HB MET 59 2HB MET 59 -39.350 -78.282 17.949 507 2HB MET 59 1HB MET 59 -40.884 -79.123 18.111 508 1HG MET 59 2HG MET 59 -39.729 -81.194 18.589 509 2HG MET 59 1HG MET 59 -38.170 -80.405 18.360 510 1HE MET 59 1HE MET 59 -38.086 -77.912 21.380 511 2HE MET 59 2HE MET 59 -38.728 -77.562 19.776 512 3HE MET 59 3HE MET 59 -37.246 -78.502 19.945 513 H SER 60 H SER 60 -39.489 -81.983 16.853 514 HA SER 60 HA SER 60 -40.535 -83.938 16.722 515 1HB SER 60 2HB SER 60 -43.087 -82.385 16.544 516 2HB SER 60 1HB SER 60 -42.838 -83.998 17.189 517 HG SER 60 HG SER 60 -41.297 -82.781 18.688 518 H SER 61 H SER 61 -39.603 -84.265 14.678 519 HA SER 61 HA SER 61 -41.527 -84.332 12.463 520 1HB SER 61 2HB SER 61 -38.555 -84.899 12.348 521 2HB SER 61 1HB SER 61 -39.639 -84.575 10.994 522 HG SER 61 HG SER 61 -39.165 -82.552 11.260 523 H LEU 62 H LEU 62 -41.234 -86.072 14.934 524 HA LEU 62 HA LEU 62 -40.244 -88.595 13.931 525 1HB LEU 62 2HB LEU 62 -39.598 -87.882 16.156 526 2HB LEU 62 1HB LEU 62 -41.280 -87.726 16.627 527 HG LEU 62 HG LEU 62 -41.502 -90.201 16.217 528 1HD1 LEU 62 1HD1 LEU 62 -39.428 -91.517 16.296 529 2HD1 LEU 62 2HD1 LEU 62 -38.490 -90.027 16.181 530 3HD1 LEU 62 3HD1 LEU 62 -39.524 -90.525 14.842 531 1HD2 LEU 62 1HD2 LEU 62 -41.361 -89.220 18.454 532 2HD2 LEU 62 2HD2 LEU 62 -39.601 -89.297 18.378 533 3HD2 LEU 62 3HD2 LEU 62 -40.549 -90.784 18.386 534 H GLU 63 H GLU 63 -41.497 -90.091 13.057 535 HA GLU 63 HA GLU 63 -44.087 -90.662 14.219 536 1HB GLU 63 2HB GLU 63 -44.613 -89.050 12.386 537 2HB GLU 63 1HB GLU 63 -43.859 -90.153 11.242 538 1HG GLU 63 2HG GLU 63 -45.510 -91.882 11.909 539 2HG GLU 63 1HG GLU 63 -46.309 -90.677 12.912 540 H HIS 64 H HIS 64 -43.764 -92.737 14.732 541 HA HIS 64 HA HIS 64 -43.255 -94.601 12.586 542 1HB HIS 64 2HB HIS 64 -41.353 -95.707 13.565 543 2HB HIS 64 1HB HIS 64 -40.964 -94.008 13.358 544 HD1 HIS 64 HD1 HIS 64 -40.496 -96.607 15.666 545 HD2 HIS 64 HD2 HIS 64 -41.524 -92.594 16.030 546 HE1 HIS 64 HE1 HIS 64 -39.934 -95.976 18.031 547 HE2 HIS 64 HE2 HIS 64 -40.320 -93.490 18.137 548 H HIS 65 H HIS 65 -44.092 -96.564 12.918 549 HA HIS 65 HA HIS 65 -45.197 -98.301 13.834 550 1HB HIS 65 2HB HIS 65 -43.501 -98.062 15.700 551 2HB HIS 65 1HB HIS 65 -44.712 -97.128 16.572 552 HD1 HIS 65 HD1 HIS 65 -46.494 -98.413 17.822 553 HD2 HIS 65 HD2 HIS 65 -44.236-100.812 15.277 554 HE1 HIS 65 HE1 HIS 65 -47.154-100.784 18.355 555 HE2 HIS 65 HE2 HIS 65 -45.830-102.220 16.752 556 H HIS 66 H HIS 66 -47.203 -98.025 13.121 557 HA HIS 66 HA HIS 66 -49.082 -96.639 14.909 558 1HB HIS 66 2HB HIS 66 -48.822 -96.477 11.947 559 2HB HIS 66 1HB HIS 66 -50.450 -96.498 12.614 560 HD1 HIS 66 HD1 HIS 66 -48.486 -94.095 11.299 561 HD2 HIS 66 HD2 HIS 66 -50.104 -94.478 15.114 562 HE1 HIS 66 HE1 HIS 66 -48.575 -91.765 12.235 563 HE2 HIS 66 HE2 HIS 66 -49.723 -92.000 14.463 564 H HIS 67 H HIS 67 -51.449 -97.452 14.115 565 HA HIS 67 HA HIS 67 -51.286-100.362 14.430 566 1HB HIS 67 2HB HIS 67 -53.613 -98.468 14.843 567 2HB HIS 67 1HB HIS 67 -53.682-100.211 15.081 568 HD1 HIS 67 HD1 HIS 67 -52.777-101.138 17.271 569 HD2 HIS 67 HD2 HIS 67 -52.055 -97.072 16.772 570 HE1 HIS 67 HE1 HIS 67 -51.892-100.331 19.479 571 HE2 HIS 67 HE2 HIS 67 -51.675 -97.829 19.217 572 H HIS 68 H HIS 68 -52.559-101.749 13.127 573 HA HIS 68 HA HIS 68 -53.085-100.557 10.490 574 1HB HIS 68 2HB HIS 68 -52.071-103.317 11.177 575 2HB HIS 68 1HB HIS 68 -52.517-102.799 9.553 576 HD1 HIS 68 HD1 HIS 68 -49.746-102.747 11.972 577 HD2 HIS 68 HD2 HIS 68 -50.819-100.698 8.511 578 HE1 HIS 68 HE1 HIS 68 -47.668-101.555 11.214 579 HE2 HIS 68 HE2 HIS 68 -48.403-100.148 9.258 580 H HIS 69 H HIS 69 -54.933-100.988 9.463 581 HA HIS 69 HA HIS 69 -56.969-102.411 11.033 582 1HB HIS 69 2HB HIS 69 -58.631-100.895 10.113 583 2HB HIS 69 1HB HIS 69 -57.332 -99.961 10.843 584 HD1 HIS 69 HD1 HIS 69 -55.607 -98.840 9.110 585 HD2 HIS 69 HD2 HIS 69 -59.133-100.326 7.483 586 HE1 HIS 69 HE1 HIS 69 -55.809 -97.777 6.845 587 HE2 HIS 69 HE2 HIS 69 -58.042 -98.541 5.965 588 1H MET 1 1H MET 1 -0.497 -18.152 9.732 589 2H MET 1 2H MET 1 0.679 -18.395 10.928 590 3H MET 1 3H MET 1 1.123 -18.386 9.288 591 HA MET 1 HA MET 1 0.061 -16.084 10.822 592 1HB MET 1 2HB MET 1 2.815 -16.636 9.682 593 2HB MET 1 1HB MET 1 2.310 -15.094 10.353 594 1HG MET 1 2HG MET 1 3.548 -16.155 12.028 595 2HG MET 1 1HG MET 1 1.859 -16.323 12.506 596 1HE MET 1 1HE MET 1 2.497 -18.230 14.239 597 2HE MET 1 2HE MET 1 4.191 -18.039 13.794 598 3HE MET 1 3HE MET 1 3.461 -19.645 13.826 599 HA PRO 2 HA PRO 2 -1.486 -14.779 6.920 600 1HB PRO 2 2HB PRO 2 -1.583 -12.078 7.442 601 2HB PRO 2 1HB PRO 2 -2.802 -13.246 7.968 602 1HG PRO 2 2HG PRO 2 -0.535 -12.050 9.500 603 2HG PRO 2 1HG PRO 2 -2.187 -12.405 10.033 604 1HD PRO 2 2HD PRO 2 -0.096 -13.983 10.673 605 2HD PRO 2 1HD PRO 2 -1.724 -14.637 10.399 606 H LYS 3 H LYS 3 0.237 -15.229 5.549 607 HA LYS 3 HA LYS 3 2.400 -13.331 5.251 608 1HB LYS 3 2HB LYS 3 2.829 -15.693 4.810 609 2HB LYS 3 1HB LYS 3 1.597 -15.706 3.558 610 1HG LYS 3 2HG LYS 3 2.951 -14.010 2.328 611 2HG LYS 3 1HG LYS 3 4.226 -14.247 3.523 612 1HD LYS 3 2HD LYS 3 4.641 -15.574 1.524 613 2HD LYS 3 1HD LYS 3 4.339 -16.623 2.913 614 1HE LYS 3 2HE LYS 3 2.046 -16.967 2.180 615 2HE LYS 3 1HE LYS 3 2.290 -15.851 0.835 616 1HZ LYS 3 1HZ LYS 3 2.463 -18.303 0.321 617 2HZ LYS 3 2HZ LYS 3 3.936 -18.290 1.168 618 3HZ LYS 3 3HZ LYS 3 3.743 -17.331 -0.213 619 H ILE 4 H ILE 4 2.656 -11.912 3.548 620 HA ILE 4 HA ILE 4 0.223 -11.380 2.036 621 HB ILE 4 HB ILE 4 0.886 -9.023 2.082 622 1HG1 ILE 4 2HG1 ILE 4 3.365 -9.709 2.665 623 2HG1 ILE 4 1HG1 ILE 4 2.700 -8.193 3.227 624 1HG2 ILE 4 1HG2 ILE 4 -0.751 -9.860 3.630 625 2HG2 ILE 4 2HG2 ILE 4 0.252 -8.652 4.434 626 3HG2 ILE 4 3HG2 ILE 4 0.521 -10.367 4.741 627 1HD1 ILE 4 1HD1 ILE 4 2.230 -9.181 5.402 628 2HD1 ILE 4 2HD1 ILE 4 3.944 -9.289 4.991 629 3HD1 ILE 4 3HD1 ILE 4 2.910 -10.710 4.848 630 H ILE 5 H ILE 5 0.395 -10.797 -0.064 631 HA ILE 5 HA ILE 5 2.855 -11.603 -1.397 632 HB ILE 5 HB ILE 5 0.374 -10.634 -2.776 633 1HG1 ILE 5 2HG1 ILE 5 0.849 -13.437 -1.752 634 2HG1 ILE 5 1HG1 ILE 5 -0.323 -12.301 -1.090 635 1HG2 ILE 5 1HG2 ILE 5 2.394 -11.044 -4.111 636 2HG2 ILE 5 2HG2 ILE 5 1.070 -12.125 -4.543 637 3HG2 ILE 5 3HG2 ILE 5 2.398 -12.717 -3.547 638 1HD1 ILE 5 1HD1 ILE 5 -1.547 -12.332 -3.200 639 2HD1 ILE 5 2HD1 ILE 5 -1.386 -13.952 -2.524 640 3HD1 ILE 5 3HD1 ILE 5 -0.365 -13.456 -3.873 641 H GLU 6 H GLU 6 3.988 -10.249 -2.801 642 HA GLU 6 HA GLU 6 3.558 -7.384 -2.397 643 1HB GLU 6 2HB GLU 6 5.988 -8.852 -3.446 644 2HB GLU 6 1HB GLU 6 5.879 -7.126 -3.151 645 1HG GLU 6 2HG GLU 6 5.545 -7.564 -0.758 646 2HG GLU 6 1HG GLU 6 5.704 -9.293 -1.065 647 H ALA 7 H ALA 7 2.961 -6.126 -4.084 648 HA ALA 7 HA ALA 7 3.162 -7.215 -6.797 649 1HB ALA 7 1HB ALA 7 0.944 -7.854 -5.993 650 2HB ALA 7 2HB ALA 7 0.821 -6.638 -7.264 651 3HB ALA 7 3HB ALA 7 0.598 -6.173 -5.578 652 H VAL 8 H VAL 8 3.035 -5.608 -8.459 653 HA VAL 8 HA VAL 8 3.425 -2.874 -7.480 654 HB VAL 8 HB VAL 8 4.505 -2.511 -9.745 655 1HG1 VAL 8 1HG1 VAL 8 5.782 -2.618 -7.673 656 2HG1 VAL 8 2HG1 VAL 8 6.672 -3.375 -8.994 657 3HG1 VAL 8 3HG1 VAL 8 5.850 -4.375 -7.796 658 1HG2 VAL 8 1HG2 VAL 8 3.701 -4.508 -10.860 659 2HG2 VAL 8 2HG2 VAL 8 4.582 -5.519 -9.715 660 3HG2 VAL 8 3HG2 VAL 8 5.462 -4.482 -10.837 661 H TYR 9 H TYR 9 2.066 -1.347 -8.078 662 HA TYR 9 HA TYR 9 -0.191 -1.963 -9.807 663 1HB TYR 9 2HB TYR 9 -0.405 -0.606 -7.709 664 2HB TYR 9 1HB TYR 9 0.570 0.649 -8.460 665 HD1 TYR 9 HD1 TYR 9 -2.555 -1.299 -8.999 666 HD2 TYR 9 HD2 TYR 9 -0.506 2.377 -9.606 667 HE1 TYR 9 HE1 TYR 9 -4.602 -0.315 -9.915 668 HE2 TYR 9 HE2 TYR 9 -2.559 3.369 -10.529 669 HH TYR 9 HH TYR 9 -5.600 1.929 -10.191 670 H GLU 10 H GLU 10 0.209 -2.105 -11.761 671 HA GLU 10 HA GLU 10 1.637 -0.099 -13.250 672 1HB GLU 10 2HB GLU 10 0.213 -2.626 -14.063 673 2HB GLU 10 1HB GLU 10 0.859 -1.487 -15.232 674 1HG GLU 10 2HG GLU 10 3.022 -1.865 -13.653 675 2HG GLU 10 1HG GLU 10 2.244 -3.446 -13.549 676 H ASN 11 H ASN 11 0.089 0.106 -15.469 677 HA ASN 11 HA ASN 11 -1.392 2.385 -14.753 678 1HB ASN 11 2HB ASN 11 -0.283 1.328 -16.975 679 2HB ASN 11 1HB ASN 11 -1.981 1.056 -17.303 680 1HD2 ASN 11 1HD2 ASN 11 0.496 3.424 -16.886 681 2HD2 ASN 11 2HD2 ASN 11 -0.414 4.778 -17.450 682 H GLY 12 H GLY 12 -2.536 0.834 -13.178 683 1HA GLY 12 2HA GLY 12 -4.914 0.811 -12.645 684 2HA GLY 12 1HA GLY 12 -5.232 0.337 -14.315 685 H VAL 13 H VAL 13 -2.452 -1.106 -13.222 686 HA VAL 13 HA VAL 13 -3.945 -3.655 -12.852 687 HB VAL 13 HB VAL 13 -1.061 -3.473 -13.582 688 1HG1 VAL 13 1HG1 VAL 13 -3.226 -5.465 -14.237 689 2HG1 VAL 13 2HG1 VAL 13 -1.949 -5.652 -13.034 690 3HG1 VAL 13 3HG1 VAL 13 -1.543 -5.586 -14.751 691 1HG2 VAL 13 1HG2 VAL 13 -2.133 -1.978 -15.174 692 2HG2 VAL 13 2HG2 VAL 13 -3.339 -3.211 -15.546 693 3HG2 VAL 13 3HG2 VAL 13 -1.651 -3.469 -15.986 694 H PHE 14 H PHE 14 -3.445 -4.931 -11.064 695 HA PHE 14 HA PHE 14 -0.973 -4.250 -9.626 696 1HB PHE 14 2HB PHE 14 -3.486 -5.609 -8.671 697 2HB PHE 14 1HB PHE 14 -1.978 -5.712 -7.791 698 HD1 PHE 14 HD1 PHE 14 -4.990 -3.975 -8.115 699 HD2 PHE 14 HD2 PHE 14 -0.874 -3.401 -7.229 700 HE1 PHE 14 HE1 PHE 14 -5.544 -1.909 -6.903 701 HE2 PHE 14 HE2 PHE 14 -1.418 -1.334 -6.017 702 HZ PHE 14 HZ PHE 14 -3.754 -0.584 -5.853 703 H LYS 15 H LYS 15 0.600 -5.543 -10.251 704 HA LYS 15 HA LYS 15 -0.029 -8.381 -10.702 705 1HB LYS 15 2HB LYS 15 1.951 -6.574 -12.075 706 2HB LYS 15 1HB LYS 15 2.114 -8.317 -12.102 707 1HG LYS 15 2HG LYS 15 -0.224 -8.394 -13.052 708 2HG LYS 15 1HG LYS 15 -0.089 -6.649 -13.256 709 1HD LYS 15 2HD LYS 15 1.655 -8.765 -14.514 710 2HD LYS 15 1HD LYS 15 0.491 -7.719 -15.331 711 1HE LYS 15 2HE LYS 15 1.823 -5.763 -14.699 712 2HE LYS 15 1HE LYS 15 2.991 -6.821 -13.910 713 1HZ LYS 15 1HZ LYS 15 3.449 -7.851 -16.045 714 2HZ LYS 15 2HZ LYS 15 3.714 -6.175 -16.122 715 3HZ LYS 15 3HZ LYS 15 2.320 -6.840 -16.796 716 HA PRO 16 HA PRO 16 2.594 -8.802 -7.145 717 1HB PRO 16 2HB PRO 16 2.822 -11.544 -7.318 718 2HB PRO 16 1HB PRO 16 1.502 -10.689 -6.521 719 1HG PRO 16 2HG PRO 16 1.573 -11.968 -9.208 720 2HG PRO 16 1HG PRO 16 0.234 -11.824 -8.061 721 1HD PRO 16 2HD PRO 16 0.490 -10.290 -10.287 722 2HD PRO 16 1HD PRO 16 -0.351 -9.756 -8.821 723 H LEU 17 H LEU 17 4.662 -9.627 -6.623 724 HA LEU 17 HA LEU 17 6.392 -10.327 -8.907 725 1HB LEU 17 2HB LEU 17 7.217 -9.064 -6.282 726 2HB LEU 17 1HB LEU 17 8.279 -9.442 -7.620 727 HG LEU 17 HG LEU 17 6.824 -7.764 -8.961 728 1HD1 LEU 17 1HD1 LEU 17 5.037 -7.540 -7.320 729 2HD1 LEU 17 2HD1 LEU 17 5.828 -5.990 -7.612 730 3HD1 LEU 17 3HD1 LEU 17 6.187 -6.905 -6.147 731 1HD2 LEU 17 1HD2 LEU 17 9.155 -7.383 -8.364 732 2HD2 LEU 17 2HD2 LEU 17 8.665 -6.840 -6.760 733 3HD2 LEU 17 3HD2 LEU 17 8.215 -5.899 -8.181 734 H GLN 18 H GLN 18 4.919 -11.225 -6.078 735 HA GLN 18 HA GLN 18 6.780 -13.341 -5.358 736 1HB GLN 18 2HB GLN 18 5.292 -11.789 -3.809 737 2HB GLN 18 1HB GLN 18 4.058 -12.980 -4.169 738 1HG GLN 18 2HG GLN 18 5.697 -14.714 -3.349 739 2HG GLN 18 1HG GLN 18 6.651 -13.371 -2.720 740 1HE2 GLN 18 1HE2 GLN 18 5.609 -11.941 -1.197 741 2HE2 GLN 18 2HE2 GLN 18 4.380 -12.549 -0.146 742 H LYS 19 H LYS 19 5.845 -15.581 -5.161 743 HA LYS 19 HA LYS 19 4.336 -16.238 -7.510 744 1HB LYS 19 2HB LYS 19 4.572 -18.551 -6.792 745 2HB LYS 19 1HB LYS 19 6.116 -17.719 -6.768 746 1HG LYS 19 2HG LYS 19 6.005 -17.527 -4.365 747 2HG LYS 19 1HG LYS 19 4.400 -18.262 -4.352 748 1HD LYS 19 2HD LYS 19 5.259 -20.333 -5.150 749 2HD LYS 19 1HD LYS 19 6.838 -19.620 -5.469 750 1HE LYS 19 2HE LYS 19 7.127 -19.232 -3.057 751 2HE LYS 19 1HE LYS 19 5.558 -19.977 -2.764 752 1HZ LYS 19 1HZ LYS 19 7.344 -21.530 -2.367 753 2HZ LYS 19 2HZ LYS 19 7.928 -21.321 -3.947 754 3HZ LYS 19 3HZ LYS 19 6.415 -22.044 -3.690 755 H VAL 20 H VAL 20 2.277 -17.094 -7.591 756 HA VAL 20 HA VAL 20 0.651 -16.738 -5.182 757 HB VAL 20 HB VAL 20 0.506 -14.699 -6.401 758 1HG1 VAL 20 1HG1 VAL 20 -0.384 -16.365 -8.732 759 2HG1 VAL 20 2HG1 VAL 20 1.087 -15.397 -8.617 760 3HG1 VAL 20 3HG1 VAL 20 -0.488 -14.605 -8.663 761 1HG2 VAL 20 1HG2 VAL 20 -1.914 -14.527 -6.686 762 2HG2 VAL 20 2HG2 VAL 20 -1.491 -15.429 -5.232 763 3HG2 VAL 20 3HG2 VAL 20 -2.029 -16.287 -6.676 764 H ASP 21 H ASP 21 -0.856 -17.960 -4.847 765 HA ASP 21 HA ASP 21 -2.106 -19.454 -7.006 766 1HB ASP 21 2HB ASP 21 -0.469 -20.953 -5.993 767 2HB ASP 21 1HB ASP 21 -1.201 -20.682 -4.421 768 H LEU 22 H LEU 22 -3.569 -17.923 -6.749 769 HA LEU 22 HA LEU 22 -5.481 -18.381 -4.578 770 1HB LEU 22 2HB LEU 22 -4.757 -15.830 -6.002 771 2HB LEU 22 1HB LEU 22 -6.201 -16.006 -5.042 772 HG LEU 22 HG LEU 22 -3.383 -16.285 -4.010 773 1HD1 LEU 22 1HD1 LEU 22 -5.388 -14.057 -3.684 774 2HD1 LEU 22 2HD1 LEU 22 -3.891 -13.987 -4.614 775 3HD1 LEU 22 3HD1 LEU 22 -3.835 -14.165 -2.859 776 1HD2 LEU 22 1HD2 LEU 22 -4.406 -16.332 -1.799 777 2HD2 LEU 22 2HD2 LEU 22 -5.007 -17.666 -2.788 778 3HD2 LEU 22 3HD2 LEU 22 -6.010 -16.240 -2.526 779 H LYS 23 H LYS 23 -7.689 -17.320 -5.413 780 HA LYS 23 HA LYS 23 -8.193 -18.556 -8.025 781 1HB LYS 23 2HB LYS 23 -9.756 -18.452 -5.509 782 2HB LYS 23 1HB LYS 23 -10.661 -18.371 -7.013 783 1HG LYS 23 2HG LYS 23 -8.816 -20.571 -6.112 784 2HG LYS 23 1HG LYS 23 -10.567 -20.653 -6.343 785 1HD LYS 23 2HD LYS 23 -10.087 -19.972 -8.759 786 2HD LYS 23 1HD LYS 23 -8.411 -20.390 -8.412 787 1HE LYS 23 2HE LYS 23 -9.116 -22.655 -7.804 788 2HE LYS 23 1HE LYS 23 -10.788 -22.225 -8.172 789 1HZ LYS 23 1HZ LYS 23 -9.949 -23.308 -10.069 790 2HZ LYS 23 2HZ LYS 23 -8.505 -22.417 -10.053 791 3HZ LYS 23 3HZ LYS 23 -9.965 -21.660 -10.464 792 H GLU 24 H GLU 24 -9.930 -17.576 -9.333 793 HA GLU 24 HA GLU 24 -9.632 -14.732 -9.441 794 1HB GLU 24 2HB GLU 24 -11.228 -14.936 -11.369 795 2HB GLU 24 1HB GLU 24 -9.728 -15.810 -11.548 796 1HG GLU 24 2HG GLU 24 -12.308 -17.080 -10.674 797 2HG GLU 24 1HG GLU 24 -11.788 -16.982 -12.354 798 H GLY 25 H GLY 25 -10.861 -13.293 -8.568 799 1HA GLY 25 2HA GLY 25 -12.920 -12.402 -7.750 800 2HA GLY 25 1HA GLY 25 -13.516 -14.046 -7.553 801 H GLU 26 H GLU 26 -10.278 -13.619 -6.574 802 HA GLU 26 HA GLU 26 -10.949 -14.053 -3.825 803 1HB GLU 26 2HB GLU 26 -8.982 -15.038 -5.079 804 2HB GLU 26 1HB GLU 26 -8.255 -13.439 -5.042 805 1HG GLU 26 2HG GLU 26 -7.336 -14.701 -3.303 806 2HG GLU 26 1HG GLU 26 -8.399 -13.504 -2.583 807 H ARG 27 H ARG 27 -11.292 -12.483 -2.374 808 HA ARG 27 HA ARG 27 -10.991 -9.749 -3.302 809 1HB ARG 27 2HB ARG 27 -13.100 -10.506 -2.317 810 2HB ARG 27 1HB ARG 27 -12.281 -10.779 -0.791 811 1HG ARG 27 2HG ARG 27 -12.050 -8.522 -0.362 812 2HG ARG 27 1HG ARG 27 -12.209 -8.084 -2.066 813 1HD ARG 27 2HD ARG 27 -14.531 -8.587 -2.065 814 2HD ARG 27 1HD ARG 27 -14.438 -9.296 -0.454 815 HE ARG 27 HE ARG 27 -13.905 -6.430 -0.881 816 1HH1 ARG 27 1HH1 ARG 27 -15.583 -9.026 0.776 817 2HH1 ARG 27 2HH1 ARG 27 -16.555 -7.953 1.744 818 1HH2 ARG 27 1HH2 ARG 27 -15.144 -5.016 0.406 819 2HH2 ARG 27 2HH2 ARG 27 -16.281 -5.664 1.557 820 H VAL 28 H VAL 28 -9.521 -8.460 -2.765 821 HA VAL 28 HA VAL 28 -7.779 -9.066 -0.480 822 HB VAL 28 HB VAL 28 -5.801 -8.520 -1.807 823 1HG1 VAL 28 1HG1 VAL 28 -6.483 -10.856 -1.683 824 2HG1 VAL 28 2HG1 VAL 28 -5.746 -10.501 -3.245 825 3HG1 VAL 28 3HG1 VAL 28 -7.498 -10.647 -3.109 826 1HG2 VAL 28 1HG2 VAL 28 -6.830 -6.981 -3.400 827 2HG2 VAL 28 2HG2 VAL 28 -7.691 -8.324 -4.150 828 3HG2 VAL 28 3HG2 VAL 28 -5.931 -8.251 -4.232 829 H LYS 29 H LYS 29 -6.685 -7.233 0.409 830 HA LYS 29 HA LYS 29 -7.890 -4.710 -0.442 831 1HB LYS 29 2HB LYS 29 -7.555 -5.776 2.321 832 2HB LYS 29 1HB LYS 29 -7.710 -4.057 2.001 833 1HG LYS 29 2HG LYS 29 -9.828 -4.397 0.909 834 2HG LYS 29 1HG LYS 29 -9.667 -6.142 1.081 835 1HD LYS 29 2HD LYS 29 -11.047 -5.611 2.782 836 2HD LYS 29 1HD LYS 29 -9.499 -5.615 3.602 837 1HE LYS 29 2HE LYS 29 -10.636 -3.708 4.376 838 2HE LYS 29 1HE LYS 29 -9.470 -3.116 3.195 839 1HZ LYS 29 1HZ LYS 29 -11.636 -2.078 2.916 840 2HZ LYS 29 2HZ LYS 29 -12.359 -3.590 2.682 841 3HZ LYS 29 3HZ LYS 29 -11.241 -3.006 1.556 842 H ILE 30 H ILE 30 -6.761 -2.993 -0.454 843 HA ILE 30 HA ILE 30 -3.868 -3.596 -0.787 844 HB ILE 30 HB ILE 30 -5.300 -1.356 -2.179 845 1HG1 ILE 30 2HG1 ILE 30 -6.516 -3.452 -2.696 846 2HG1 ILE 30 1HG1 ILE 30 -5.697 -2.789 -4.103 847 1HG2 ILE 30 1HG2 ILE 30 -2.875 -1.312 -2.200 848 2HG2 ILE 30 2HG2 ILE 30 -3.505 -1.625 -3.818 849 3HG2 ILE 30 3HG2 ILE 30 -2.838 -2.946 -2.859 850 1HD1 ILE 30 1HD1 ILE 30 -5.476 -5.211 -4.001 851 2HD1 ILE 30 2HD1 ILE 30 -4.709 -5.082 -2.420 852 3HD1 ILE 30 3HD1 ILE 30 -3.904 -4.424 -3.844 853 H LYS 31 H LYS 31 -2.394 -2.268 -0.131 854 HA LYS 31 HA LYS 31 -2.879 0.393 0.756 855 1HB LYS 31 2HB LYS 31 -1.948 0.041 2.937 856 2HB LYS 31 1HB LYS 31 -3.346 -0.998 2.765 857 1HG LYS 31 2HG LYS 31 -1.703 -2.815 2.114 858 2HG LYS 31 1HG LYS 31 -0.447 -1.730 2.704 859 1HD LYS 31 2HD LYS 31 -1.014 -3.223 4.469 860 2HD LYS 31 1HD LYS 31 -1.659 -1.636 4.883 861 1HE LYS 31 2HE LYS 31 -3.225 -3.540 5.315 862 2HE LYS 31 1HE LYS 31 -3.863 -2.275 4.261 863 1HZ LYS 31 1HZ LYS 31 -4.336 -4.528 3.438 864 2HZ LYS 31 2HZ LYS 31 -2.677 -4.826 3.302 865 3HZ LYS 31 3HZ LYS 31 -3.399 -3.636 2.349 866 H LEU 32 H LEU 32 -0.692 1.374 1.235 867 HA LEU 32 HA LEU 32 1.267 0.105 -0.528 868 1HB LEU 32 2HB LEU 32 0.982 3.001 0.240 869 2HB LEU 32 1HB LEU 32 2.122 2.340 -0.911 870 HG LEU 32 HG LEU 32 -0.387 1.468 -1.782 871 1HD1 LEU 32 1HD1 LEU 32 -1.455 3.106 -0.356 872 2HD1 LEU 32 2HD1 LEU 32 -1.638 3.551 -2.053 873 3HD1 LEU 32 3HD1 LEU 32 -0.454 4.384 -1.046 874 1HD2 LEU 32 1HD2 LEU 32 1.367 3.699 -2.778 875 2HD2 LEU 32 2HD2 LEU 32 0.087 2.911 -3.699 876 3HD2 LEU 32 3HD2 LEU 32 1.505 1.991 -3.195 877 H GLU 33 H GLU 33 3.115 -0.583 0.364 878 HA GLU 33 HA GLU 33 3.380 0.074 3.216 879 1HB GLU 33 2HB GLU 33 3.234 -2.531 1.827 880 2HB GLU 33 1HB GLU 33 4.348 -2.411 3.178 881 1HG GLU 33 2HG GLU 33 2.580 -1.759 4.664 882 2HG GLU 33 1HG GLU 33 1.442 -1.628 3.327 883 H LEU 34 H LEU 34 5.479 -0.571 4.156 884 HA LEU 34 HA LEU 34 7.462 0.801 2.521 885 1HB LEU 34 2HB LEU 34 7.273 0.348 5.492 886 2HB LEU 34 1HB LEU 34 8.596 1.185 4.702 887 HG LEU 34 HG LEU 34 5.741 2.072 4.520 888 1HD1 LEU 34 1HD1 LEU 34 6.356 3.800 6.160 889 2HD1 LEU 34 2HD1 LEU 34 7.913 3.003 6.382 890 3HD1 LEU 34 3HD1 LEU 34 6.425 2.173 6.838 891 1HD2 LEU 34 1HD2 LEU 34 8.337 3.445 3.872 892 2HD2 LEU 34 2HD2 LEU 34 6.740 4.188 3.791 893 3HD2 LEU 34 3HD2 LEU 34 7.148 2.855 2.711 894 H LYS 35 H LYS 35 9.737 0.305 3.361 895 HA LYS 35 HA LYS 35 10.218 -2.563 2.996 896 1HB LYS 35 2HB LYS 35 11.955 -0.146 2.502 897 2HB LYS 35 1HB LYS 35 12.426 -1.799 2.210 898 1HG LYS 35 2HG LYS 35 11.160 -1.986 0.318 899 2HG LYS 35 1HG LYS 35 9.993 -0.773 0.852 900 1HD LYS 35 2HD LYS 35 11.458 -0.015 -1.028 901 2HD LYS 35 1HD LYS 35 11.539 1.005 0.409 902 1HE LYS 35 2HE LYS 35 13.570 -0.418 1.066 903 2HE LYS 35 1HE LYS 35 13.556 -0.969 -0.611 904 1HZ LYS 35 1HZ LYS 35 13.699 1.884 0.215 905 2HZ LYS 35 2HZ LYS 35 13.867 1.270 -1.357 906 3HZ LYS 35 3HZ LYS 35 15.047 0.938 -0.193 907 H VAL 36 H VAL 36 12.030 -3.472 4.214 908 HA VAL 36 HA VAL 36 12.587 -2.084 6.721 909 HB VAL 36 HB VAL 36 12.034 -4.421 6.941 910 1HG1 VAL 36 1HG1 VAL 36 13.470 -6.197 6.063 911 2HG1 VAL 36 2HG1 VAL 36 14.415 -4.988 5.193 912 3HG1 VAL 36 3HG1 VAL 36 12.722 -5.256 4.774 913 1HG2 VAL 36 1HG2 VAL 36 13.601 -3.480 8.535 914 2HG2 VAL 36 2HG2 VAL 36 14.949 -3.935 7.492 915 3HG2 VAL 36 3HG2 VAL 36 13.952 -5.182 8.242 916 H GLU 37 H GLU 37 14.600 -1.363 7.240 917 HA GLU 37 HA GLU 37 16.354 -1.038 4.929 918 1HB GLU 37 2HB GLU 37 17.204 0.910 6.406 919 2HB GLU 37 1HB GLU 37 15.702 1.086 5.522 920 1HG GLU 37 2HG GLU 37 14.437 0.650 7.533 921 2HG GLU 37 1HG GLU 37 15.922 0.329 8.430 922 HA PRO 38 HA PRO 38 19.422 -3.142 7.474 923 1HB PRO 38 2HB PRO 38 20.498 -4.610 5.528 924 2HB PRO 38 1HB PRO 38 18.935 -5.053 6.228 925 1HG PRO 38 2HG PRO 38 19.543 -3.767 3.614 926 2HG PRO 38 1HG PRO 38 18.241 -4.888 4.041 927 1HD PRO 38 2HD PRO 38 18.062 -2.071 3.865 928 2HD PRO 38 1HD PRO 38 16.847 -3.181 4.516 929 H ILE 39 H ILE 39 21.853 -3.271 7.055 930 HA ILE 39 HA ILE 39 22.747 -0.982 5.451 931 HB ILE 39 HB ILE 39 24.616 -0.871 7.212 932 1HG1 ILE 39 2HG1 ILE 39 22.469 -2.233 8.844 933 2HG1 ILE 39 1HG1 ILE 39 24.012 -2.948 8.393 934 1HG2 ILE 39 1HG2 ILE 39 23.299 0.696 8.573 935 2HG2 ILE 39 2HG2 ILE 39 21.824 0.054 7.850 936 3HG2 ILE 39 3HG2 ILE 39 23.002 0.897 6.844 937 1HD1 ILE 39 1HD1 ILE 39 23.624 -0.546 10.159 938 2HD1 ILE 39 2HD1 ILE 39 25.177 -1.243 9.699 939 3HD1 ILE 39 3HD1 ILE 39 24.048 -2.173 10.686 940 H ASP 40 H ASP 40 23.900 -1.723 3.784 941 HA ASP 40 HA ASP 40 25.472 -4.141 4.073 942 1HB ASP 40 2HB ASP 40 25.708 -3.976 1.644 943 2HB ASP 40 1HB ASP 40 24.026 -3.953 2.121 944 H LEU 41 H LEU 41 27.648 -4.204 3.975 945 HA LEU 41 HA LEU 41 29.022 -1.619 4.228 946 1HB LEU 41 2HB LEU 41 29.123 -3.290 6.101 947 2HB LEU 41 1HB LEU 41 29.982 -4.370 5.024 948 HG LEU 41 HG LEU 41 31.804 -2.693 4.846 949 1HD1 LEU 41 1HD1 LEU 41 31.878 -0.847 6.445 950 2HD1 LEU 41 2HD1 LEU 41 30.250 -1.250 6.990 951 3HD1 LEU 41 3HD1 LEU 41 30.512 -0.692 5.337 952 1HD2 LEU 41 1HD2 LEU 41 31.119 -3.583 7.648 953 2HD2 LEU 41 2HD2 LEU 41 32.714 -3.080 7.086 954 3HD2 LEU 41 3HD2 LEU 41 31.965 -4.534 6.430 955 H GLY 42 H GLY 42 31.345 -1.641 3.386 956 1HA GLY 42 2HA GLY 42 31.360 -2.886 0.737 957 2HA GLY 42 1HA GLY 42 32.297 -1.475 1.212 958 H GLU 43 H GLU 43 34.197 -2.441 0.457 959 HA GLU 43 HA GLU 43 35.205 -4.661 2.076 960 1HB GLU 43 2HB GLU 43 35.346 -4.278 -0.903 961 2HB GLU 43 1HB GLU 43 36.343 -5.424 -0.037 962 1HG GLU 43 2HG GLU 43 34.408 -6.646 0.686 963 2HG GLU 43 1HG GLU 43 33.341 -5.427 -0.007 964 HA PRO 44 HA PRO 44 38.717 -1.981 2.674 965 1HB PRO 44 2HB PRO 44 40.238 -4.394 3.357 966 2HB PRO 44 1HB PRO 44 39.796 -3.025 4.381 967 1HG PRO 44 2HG PRO 44 38.679 -5.464 4.683 968 2HG PRO 44 1HG PRO 44 37.781 -3.967 4.996 969 1HD PRO 44 2HD PRO 44 37.701 -5.761 2.596 970 2HD PRO 44 1HD PRO 44 36.364 -4.953 3.443 971 H VAL 45 H VAL 45 40.992 -1.770 1.974 972 HA VAL 45 HA VAL 45 41.247 -2.780 -0.755 973 HB VAL 45 HB VAL 45 41.390 -0.369 -0.441 974 1HG1 VAL 45 1HG1 VAL 45 43.343 0.650 0.656 975 2HG1 VAL 45 2HG1 VAL 45 43.834 -0.952 1.206 976 3HG1 VAL 45 3HG1 VAL 45 42.319 -0.250 1.773 977 1HG2 VAL 45 1HG2 VAL 45 43.423 0.081 -1.714 978 2HG2 VAL 45 2HG2 VAL 45 42.560 -1.328 -2.333 979 3HG2 VAL 45 3HG2 VAL 45 44.006 -1.544 -1.344 980 H SER 46 H SER 46 43.395 -3.323 -1.532 981 HA SER 46 HA SER 46 44.926 -4.857 0.459 982 1HB SER 46 2HB SER 46 45.268 -6.460 -1.518 983 2HB SER 46 1HB SER 46 43.695 -6.470 -0.729 984 HG SER 46 HG SER 46 42.877 -5.219 -2.410 985 H VAL 47 H VAL 47 46.880 -5.803 -1.233 986 HA VAL 47 HA VAL 47 48.788 -5.388 -2.362 987 HB VAL 47 HB VAL 47 47.349 -2.851 -2.890 988 1HG1 VAL 47 1HG1 VAL 47 50.135 -3.511 -3.831 989 2HG1 VAL 47 2HG1 VAL 47 49.692 -2.199 -2.741 990 3HG1 VAL 47 3HG1 VAL 47 49.163 -2.166 -4.424 991 1HG2 VAL 47 1HG2 VAL 47 47.428 -3.665 -5.221 992 2HG2 VAL 47 2HG2 VAL 47 46.609 -4.776 -4.121 993 3HG2 VAL 47 3HG2 VAL 47 48.258 -5.110 -4.647 994 H GLU 48 H GLU 48 50.784 -4.865 -1.711 995 HA GLU 48 HA GLU 48 50.978 -3.329 0.778 996 1HB GLU 48 2HB GLU 48 53.145 -4.474 1.090 997 2HB GLU 48 1HB GLU 48 51.795 -5.595 0.962 998 1HG GLU 48 2HG GLU 48 52.404 -5.989 -1.402 999 2HG GLU 48 1HG GLU 48 53.800 -4.933 -1.185 1000 H GLU 49 H GLU 49 52.336 -1.637 1.022 1001 HA GLU 49 HA GLU 49 52.931 -0.215 -1.418 1002 1HB GLU 49 2HB GLU 49 51.728 0.895 0.392 1003 2HB GLU 49 1HB GLU 49 53.073 0.610 1.485 1004 1HG GLU 49 2HG GLU 49 54.476 2.024 -0.031 1005 2HG GLU 49 1HG GLU 49 52.994 2.444 -0.892 1006 H ILE 50 H ILE 50 54.707 -1.799 1.092 1007 HA ILE 50 HA ILE 50 57.042 -0.153 0.789 1008 HB ILE 50 HB ILE 50 56.289 -1.022 2.995 1009 1HG1 ILE 50 2HG1 ILE 50 59.076 -1.892 2.203 1010 2HG1 ILE 50 1HG1 ILE 50 58.613 -0.246 2.620 1011 1HG2 ILE 50 1HG2 ILE 50 55.601 -3.249 2.342 1012 2HG2 ILE 50 2HG2 ILE 50 56.835 -3.342 3.599 1013 3HG2 ILE 50 3HG2 ILE 50 57.261 -3.663 1.919 1014 1HD1 ILE 50 1HD1 ILE 50 58.042 -0.985 4.873 1015 2HD1 ILE 50 2HD1 ILE 50 59.720 -1.348 4.475 1016 3HD1 ILE 50 3HD1 ILE 50 58.510 -2.632 4.452 1017 H LYS 51 H LYS 51 55.941 -2.866 -0.828 1018 HA LYS 51 HA LYS 51 58.500 -4.201 -1.053 1019 1HB LYS 51 2HB LYS 51 56.404 -5.470 -0.959 1020 2HB LYS 51 1HB LYS 51 55.873 -4.715 -2.452 1021 1HG LYS 51 2HG LYS 51 57.599 -5.823 -3.695 1022 2HG LYS 51 1HG LYS 51 58.314 -6.461 -2.210 1023 1HD LYS 51 2HD LYS 51 56.266 -7.733 -1.773 1024 2HD LYS 51 1HD LYS 51 55.552 -7.094 -3.254 1025 1HE LYS 51 2HE LYS 51 57.199 -8.220 -4.594 1026 2HE LYS 51 1HE LYS 51 58.073 -8.741 -3.153 1027 1HZ LYS 51 1HZ LYS 51 56.631 -10.481 -4.168 1028 2HZ LYS 51 2HZ LYS 51 55.274 -9.545 -3.763 1029 3HZ LYS 51 3HZ LYS 51 56.277 -10.159 -2.541 1030 H LYS 52 H LYS 52 59.978 -3.840 -2.542 1031 HA LYS 52 HA LYS 52 59.383 -3.156 -5.227 1032 1HB LYS 52 2HB LYS 52 60.993 -1.131 -4.927 1033 2HB LYS 52 1HB LYS 52 59.279 -0.961 -4.640 1034 1HG LYS 52 2HG LYS 52 59.775 -1.339 -2.203 1035 2HG LYS 52 1HG LYS 52 61.483 -1.185 -2.620 1036 1HD LYS 52 2HD LYS 52 61.206 1.054 -3.340 1037 2HD LYS 52 1HD LYS 52 59.448 0.913 -3.331 1038 1HE LYS 52 2HE LYS 52 60.174 2.189 -1.416 1039 2HE LYS 52 1HE LYS 52 59.506 0.646 -0.886 1040 1HZ LYS 52 1HZ LYS 52 61.498 1.098 0.321 1041 2HZ LYS 52 2HZ LYS 52 62.377 1.357 -1.103 1042 3HZ LYS 52 3HZ LYS 52 61.804 -0.194 -0.733 1043 H ILE 53 H ILE 53 61.545 -2.765 -6.426 1044 HA ILE 53 HA ILE 53 63.206 -5.002 -5.810 1045 HB ILE 53 HB ILE 53 62.318 -4.360 -8.107 1046 1HG1 ILE 53 2HG1 ILE 53 65.275 -4.667 -7.751 1047 2HG1 ILE 53 1HG1 ILE 53 64.106 -5.974 -7.753 1048 1HG2 ILE 53 1HG2 ILE 53 63.593 -2.691 -9.369 1049 2HG2 ILE 53 2HG2 ILE 53 64.521 -2.304 -7.920 1050 3HG2 ILE 53 3HG2 ILE 53 62.794 -1.962 -7.974 1051 1HD1 ILE 53 1HD1 ILE 53 63.567 -5.458 -10.099 1052 2HD1 ILE 53 2HD1 ILE 53 65.269 -5.869 -9.875 1053 3HD1 ILE 53 3HD1 ILE 53 64.790 -4.186 -10.075 1054 H ARG 54 H ARG 54 65.519 -4.919 -5.676 1055 HA ARG 54 HA ARG 54 66.719 -2.270 -5.302 1056 1HB ARG 54 2HB ARG 54 68.152 -3.161 -3.554 1057 2HB ARG 54 1HB ARG 54 66.468 -3.318 -3.096 1058 1HG ARG 54 2HG ARG 54 66.521 -5.680 -3.666 1059 2HG ARG 54 1HG ARG 54 68.195 -5.520 -4.202 1060 1HD ARG 54 2HD ARG 54 67.178 -5.062 -1.400 1061 2HD ARG 54 1HD ARG 54 68.079 -6.468 -1.962 1062 HE ARG 54 HE ARG 54 69.527 -4.087 -2.490 1063 1HH1 ARG 54 1HH1 ARG 54 68.633 -6.240 0.135 1064 2HH1 ARG 54 2HH1 ARG 54 70.012 -5.815 1.105 1065 1HH2 ARG 54 1HH2 ARG 54 71.319 -3.523 -1.216 1066 2HH2 ARG 54 2HH2 ARG 54 71.558 -4.283 0.333 1067 H ASP 55 H ASP 55 69.076 -2.277 -5.750 1068 HA ASP 55 HA ASP 55 69.767 -4.344 -7.738 1069 1HB ASP 55 2HB ASP 55 70.827 -2.693 -9.110 1070 2HB ASP 55 1HB ASP 55 69.237 -2.062 -8.697 1071 H GLY 56 H GLY 56 72.400 -3.712 -8.206 1072 1HA GLY 56 2HA GLY 56 73.720 -3.656 -5.599 1073 2HA GLY 56 1HA GLY 56 73.879 -5.125 -6.549 1074 H THR 57 H THR 57 75.974 -3.401 -5.681 1075 HA THR 57 HA THR 57 77.068 -2.587 -8.299 1076 HB THR 57 HB THR 57 77.770 -1.268 -5.666 1077 HG1 THR 57 HG1 THR 57 76.170 0.133 -5.958 1078 1HG2 THR 57 1HG2 THR 57 79.422 -1.061 -7.487 1079 2HG2 THR 57 2HG2 THR 57 78.689 0.493 -7.078 1080 3HG2 THR 57 3HG2 THR 57 78.175 -0.376 -8.525 1081 H TRP 58 H TRP 58 79.287 -3.124 -8.625 1082 HA TRP 58 HA TRP 58 80.396 -4.919 -6.559 1083 1HB TRP 58 2HB TRP 58 79.494 -6.057 -8.645 1084 2HB TRP 58 1HB TRP 58 80.808 -5.290 -9.527 1085 HD1 TRP 58 HD1 TRP 58 83.052 -6.566 -9.558 1086 HE1 TRP 58 HE1 TRP 58 83.972 -8.664 -8.368 1087 HE3 TRP 58 HE3 TRP 58 79.267 -7.316 -6.208 1088 HZ2 TRP 58 HZ2 TRP 58 83.190 -10.386 -6.283 1089 HZ3 TRP 58 HZ3 TRP 58 79.433 -9.209 -4.650 1090 HH2 TRP 58 HH2 TRP 58 81.356 -10.712 -4.689 1091 H MET 59 H MET 59 82.457 -4.588 -5.980 1092 HA MET 59 HA MET 59 83.916 -2.489 -7.448 1093 1HB MET 59 2HB MET 59 83.251 -1.835 -5.172 1094 2HB MET 59 1HB MET 59 84.115 -3.221 -4.519 1095 1HG MET 59 2HG MET 59 86.215 -2.316 -5.311 1096 2HG MET 59 1HG MET 59 85.374 -0.955 -6.051 1097 1HE MET 59 1HE MET 59 86.961 0.747 -4.827 1098 2HE MET 59 2HE MET 59 87.834 -0.602 -4.099 1099 3HE MET 59 3HE MET 59 87.272 0.730 -3.089 1100 H SER 60 H SER 60 85.715 -3.041 -8.413 1101 HA SER 60 HA SER 60 86.876 -5.640 -8.098 1102 1HB SER 60 2HB SER 60 86.846 -4.624 -10.300 1103 2HB SER 60 1HB SER 60 87.723 -3.212 -9.708 1104 HG SER 60 HG SER 60 88.648 -5.708 -10.443 1105 H SER 61 H SER 61 89.178 -5.955 -7.626 1106 HA SER 61 HA SER 61 89.934 -4.489 -5.244 1107 1HB SER 61 2HB SER 61 90.096 -6.957 -5.330 1108 2HB SER 61 1HB SER 61 91.292 -6.829 -6.617 1109 HG SER 61 HG SER 61 92.314 -5.353 -4.829 1110 H LEU 62 H LEU 62 90.074 -3.316 -8.014 1111 HA LEU 62 HA LEU 62 91.351 -2.117 -9.387 1112 1HB LEU 62 2HB LEU 62 92.893 -1.735 -6.830 1113 2HB LEU 62 1HB LEU 62 93.148 -0.811 -8.289 1114 HG LEU 62 HG LEU 62 91.833 0.566 -6.957 1115 1HD1 LEU 62 1HD1 LEU 62 91.001 0.464 -9.222 1116 2HD1 LEU 62 2HD1 LEU 62 89.683 0.743 -8.084 1117 3HD1 LEU 62 3HD1 LEU 62 89.921 -0.860 -8.779 1118 1HD2 LEU 62 1HD2 LEU 62 91.211 -1.013 -5.240 1119 2HD2 LEU 62 2HD2 LEU 62 90.075 -1.793 -6.342 1120 3HD2 LEU 62 3HD2 LEU 62 89.789 -0.137 -5.804 1121 H GLU 63 H GLU 63 93.912 -1.654 -9.853 1122 HA GLU 63 HA GLU 63 94.972 -4.341 -10.374 1123 1HB GLU 63 2HB GLU 63 95.994 -3.417 -12.356 1124 2HB GLU 63 1HB GLU 63 94.279 -3.047 -12.366 1125 1HG GLU 63 2HG GLU 63 94.671 -0.785 -11.806 1126 2HG GLU 63 1HG GLU 63 96.356 -1.105 -11.398 1127 H HIS 64 H HIS 64 97.330 -4.449 -10.618 1128 HA HIS 64 HA HIS 64 98.900 -2.274 -9.566 1129 1HB HIS 64 2HB HIS 64 100.086 -3.608 -7.885 1130 2HB HIS 64 1HB HIS 64 98.378 -3.484 -7.493 1131 HD1 HIS 64 HD1 HIS 64 97.093 -5.639 -7.205 1132 HD2 HIS 64 HD2 HIS 64 100.895 -6.229 -8.798 1133 HE1 HIS 64 HE1 HIS 64 97.473 -8.125 -7.161 1134 HE2 HIS 64 HE2 HIS 64 99.736 -8.472 -8.217 1135 H HIS 65 H HIS 65 100.913 -2.233 -10.486 1136 HA HIS 65 HA HIS 65 101.767 -4.559 -12.025 1137 1HB HIS 65 2HB HIS 65 100.269 -3.149 -13.502 1138 2HB HIS 65 1HB HIS 65 101.464 -1.865 -13.367 1139 HD1 HIS 65 HD1 HIS 65 103.509 -2.010 -14.863 1140 HD2 HIS 65 HD2 HIS 65 101.153 -5.442 -14.952 1141 HE1 HIS 65 HE1 HIS 65 104.401 -3.402 -16.757 1142 HE2 HIS 65 HE2 HIS 65 103.083 -5.554 -16.678 1143 H HIS 66 H HIS 66 103.664 -4.802 -11.009 1144 HA HIS 66 HA HIS 66 105.403 -2.449 -10.736 1145 1HB HIS 66 2HB HIS 66 105.423 -5.124 -9.335 1146 2HB HIS 66 1HB HIS 66 106.770 -3.993 -9.239 1147 HD1 HIS 66 HD1 HIS 66 106.524 -2.004 -7.672 1148 HD2 HIS 66 HD2 HIS 66 103.047 -4.263 -8.026 1149 HE1 HIS 66 HE1 HIS 66 104.980 -1.162 -5.878 1150 HE2 HIS 66 HE2 HIS 66 102.998 -2.713 -5.950 1151 H HIS 67 H HIS 67 107.770 -2.924 -11.069 1152 HA HIS 67 HA HIS 67 108.173 -4.858 -13.243 1153 1HB HIS 67 2HB HIS 67 107.717 -2.501 -14.111 1154 2HB HIS 67 1HB HIS 67 109.240 -2.035 -13.361 1155 HD1 HIS 67 HD1 HIS 67 111.369 -2.560 -14.617 1156 HD2 HIS 67 HD2 HIS 67 108.001 -4.346 -16.293 1157 HE1 HIS 67 HE1 HIS 67 112.127 -3.524 -16.817 1158 HE2 HIS 67 HE2 HIS 67 110.094 -4.666 -17.778 1159 H HIS 68 H HIS 68 110.237 -5.734 -13.330 1160 HA HIS 68 HA HIS 68 111.688 -5.600 -10.857 1161 1HB HIS 68 2HB HIS 68 112.211 -7.118 -13.415 1162 2HB HIS 68 1HB HIS 68 113.249 -7.225 -11.998 1163 HD1 HIS 68 HD1 HIS 68 112.607 -8.920 -10.274 1164 HD2 HIS 68 HD2 HIS 68 109.492 -8.054 -12.899 1165 HE1 HIS 68 HE1 HIS 68 110.760 -10.536 -9.699 1166 HE2 HIS 68 HE2 HIS 68 108.849 -9.919 -11.225 1167 H HIS 69 H HIS 69 113.065 -5.350 -14.146 1168 HA HIS 69 HA HIS 69 114.260 -2.806 -13.562 1169 1HB HIS 69 2HB HIS 69 115.739 -4.367 -12.296 1170 2HB HIS 69 1HB HIS 69 116.111 -5.189 -13.809 1171 HD1 HIS 69 HD1 HIS 69 118.387 -4.548 -14.492 1172 HD2 HIS 69 HD2 HIS 69 116.277 -1.332 -12.904 1173 HE1 HIS 69 HE1 HIS 69 119.930 -2.564 -14.672 1174 HE2 HIS 69 HE2 HIS 69 118.685 -0.660 -13.577 Start of MODEL 13 1 1H MET 1 1H MET 1 -3.836 8.635 9.738 2 2H MET 1 2H MET 1 -4.475 9.156 8.253 3 3H MET 1 3H MET 1 -2.811 8.856 8.409 4 HA MET 1 HA MET 1 -3.128 6.548 8.652 5 1HB MET 1 2HB MET 1 -6.064 7.260 8.731 6 2HB MET 1 1HB MET 1 -5.491 5.626 8.431 7 1HG MET 1 2HG MET 1 -4.357 5.640 10.601 8 2HG MET 1 1HG MET 1 -4.975 7.264 10.900 9 1HE MET 1 1HE MET 1 -7.049 4.947 13.332 10 2HE MET 1 2HE MET 1 -5.903 6.283 13.225 11 3HE MET 1 3HE MET 1 -5.389 4.645 12.818 12 HA PRO 2 HA PRO 2 -3.345 6.873 4.135 13 1HB PRO 2 2HB PRO 2 -1.797 4.660 3.718 14 2HB PRO 2 1HB PRO 2 -1.127 6.269 4.007 15 1HG PRO 2 2HG PRO 2 -1.456 3.991 5.911 16 2HG PRO 2 1HG PRO 2 -0.104 5.127 5.746 17 1HD PRO 2 2HD PRO 2 -1.988 5.347 7.684 18 2HD PRO 2 1HD PRO 2 -1.157 6.751 6.982 19 H LYS 3 H LYS 3 -4.942 5.963 2.962 20 HA LYS 3 HA LYS 3 -6.623 4.021 4.174 21 1HB LYS 3 2HB LYS 3 -6.612 5.267 1.442 22 2HB LYS 3 1HB LYS 3 -7.755 4.015 1.883 23 1HG LYS 3 2HG LYS 3 -8.476 5.502 3.784 24 2HG LYS 3 1HG LYS 3 -7.507 6.778 3.036 25 1HD LYS 3 2HD LYS 3 -8.801 6.661 1.018 26 2HD LYS 3 1HD LYS 3 -9.671 5.241 1.602 27 1HE LYS 3 2HE LYS 3 -10.595 6.642 3.434 28 2HE LYS 3 1HE LYS 3 -9.813 8.044 2.704 29 1HZ LYS 3 1HZ LYS 3 -11.092 7.625 0.672 30 2HZ LYS 3 2HZ LYS 3 -12.100 7.921 2.005 31 3HZ LYS 3 3HZ LYS 3 -11.886 6.338 1.442 32 H ILE 4 H ILE 4 -7.095 1.945 3.538 33 HA ILE 4 HA ILE 4 -5.154 0.589 1.878 34 HB ILE 4 HB ILE 4 -6.070 -1.461 2.724 35 1HG1 ILE 4 2HG1 ILE 4 -8.442 -0.605 2.937 36 2HG1 ILE 4 1HG1 ILE 4 -7.876 -1.659 4.210 37 1HG2 ILE 4 1HG2 ILE 4 -5.522 0.498 4.929 38 2HG2 ILE 4 2HG2 ILE 4 -4.332 -0.435 4.021 39 3HG2 ILE 4 3HG2 ILE 4 -5.471 -1.256 5.087 40 1HD1 ILE 4 1HD1 ILE 4 -9.028 -0.031 5.365 41 2HD1 ILE 4 2HD1 ILE 4 -8.454 1.261 4.320 42 3HD1 ILE 4 3HD1 ILE 4 -7.358 0.521 5.489 43 H ILE 5 H ILE 5 -5.741 -0.447 0.028 44 HA ILE 5 HA ILE 5 -8.365 0.268 -1.080 45 HB ILE 5 HB ILE 5 -6.136 -1.027 -2.623 46 1HG1 ILE 5 2HG1 ILE 5 -6.457 1.950 -2.273 47 2HG1 ILE 5 1HG1 ILE 5 -5.262 0.996 -1.404 48 1HG2 ILE 5 1HG2 ILE 5 -8.348 0.851 -3.414 49 2HG2 ILE 5 2HG2 ILE 5 -8.301 -0.888 -3.701 50 3HG2 ILE 5 3HG2 ILE 5 -7.144 0.170 -4.509 51 1HD1 ILE 5 1HD1 ILE 5 -4.297 2.125 -3.328 52 2HD1 ILE 5 2HD1 ILE 5 -5.431 1.291 -4.390 53 3HD1 ILE 5 3HD1 ILE 5 -4.215 0.371 -3.502 54 H GLU 6 H GLU 6 -9.620 -1.432 -2.132 55 HA GLU 6 HA GLU 6 -8.725 -4.131 -1.456 56 1HB GLU 6 2HB GLU 6 -11.539 -3.041 -1.380 57 2HB GLU 6 1HB GLU 6 -11.144 -4.748 -1.293 58 1HG GLU 6 2HG GLU 6 -9.628 -4.065 0.680 59 2HG GLU 6 1HG GLU 6 -10.590 -2.590 0.692 60 H ALA 7 H ALA 7 -8.932 -5.677 -2.971 61 HA ALA 7 HA ALA 7 -9.847 -4.862 -5.665 62 1HB ALA 7 1HB ALA 7 -7.421 -4.486 -5.503 63 2HB ALA 7 2HB ALA 7 -7.799 -5.806 -6.610 64 3HB ALA 7 3HB ALA 7 -7.194 -6.159 -4.992 65 H VAL 8 H VAL 8 -10.122 -6.740 -7.075 66 HA VAL 8 HA VAL 8 -10.393 -9.290 -5.680 67 HB VAL 8 HB VAL 8 -11.935 -9.850 -7.641 68 1HG1 VAL 8 1HG1 VAL 8 -12.810 -7.807 -5.609 69 2HG1 VAL 8 2HG1 VAL 8 -12.725 -9.550 -5.356 70 3HG1 VAL 8 3HG1 VAL 8 -13.880 -8.880 -6.510 71 1HG2 VAL 8 1HG2 VAL 8 -11.421 -7.974 -9.088 72 2HG2 VAL 8 2HG2 VAL 8 -11.981 -6.844 -7.854 73 3HG2 VAL 8 3HG2 VAL 8 -13.126 -7.934 -8.635 74 H TYR 9 H TYR 9 -8.741 -10.493 -6.126 75 HA TYR 9 HA TYR 9 -7.016 -10.395 -8.360 76 1HB TYR 9 2HB TYR 9 -6.843 -11.575 -6.037 77 2HB TYR 9 1HB TYR 9 -7.709 -12.894 -6.804 78 HD1 TYR 9 HD1 TYR 9 -4.599 -10.893 -6.958 79 HD2 TYR 9 HD2 TYR 9 -6.545 -14.494 -8.102 80 HE1 TYR 9 HE1 TYR 9 -2.439 -11.838 -7.631 81 HE2 TYR 9 HE2 TYR 9 -4.383 -15.449 -8.790 82 HH TYR 9 HH TYR 9 -2.138 -14.628 -9.495 83 H GLU 10 H GLU 10 -7.389 -10.991 -10.412 84 HA GLU 10 HA GLU 10 -9.299 -13.084 -11.055 85 1HB GLU 10 2HB GLU 10 -9.577 -10.204 -11.787 86 2HB GLU 10 1HB GLU 10 -10.121 -11.427 -12.900 87 1HG GLU 10 2HG GLU 10 -11.565 -12.323 -11.061 88 2HG GLU 10 1HG GLU 10 -11.111 -10.906 -10.116 89 H ASN 11 H ASN 11 -8.583 -14.269 -12.652 90 HA ASN 11 HA ASN 11 -7.606 -14.922 -14.595 91 1HB ASN 11 2HB ASN 11 -8.938 -12.731 -15.220 92 2HB ASN 11 1HB ASN 11 -7.328 -12.089 -15.472 93 1HD2 ASN 11 1HD2 ASN 11 -6.149 -12.730 -17.217 94 2HD2 ASN 11 2HD2 ASN 11 -6.785 -13.725 -18.484 95 H GLY 12 H GLY 12 -5.857 -14.326 -12.332 96 1HA GLY 12 2HA GLY 12 -3.399 -14.394 -12.604 97 2HA GLY 12 1HA GLY 12 -3.603 -13.174 -13.849 98 H VAL 13 H VAL 13 -5.103 -11.314 -12.868 99 HA VAL 13 HA VAL 13 -2.905 -10.190 -11.245 100 HB VAL 13 HB VAL 13 -3.500 -8.046 -12.221 101 1HG1 VAL 13 1HG1 VAL 13 -3.363 -10.238 -14.286 102 2HG1 VAL 13 2HG1 VAL 13 -1.981 -9.518 -13.456 103 3HG1 VAL 13 3HG1 VAL 13 -2.958 -8.543 -14.555 104 1HG2 VAL 13 1HG2 VAL 13 -5.694 -9.548 -13.651 105 2HG2 VAL 13 2HG2 VAL 13 -5.254 -7.862 -13.922 106 3HG2 VAL 13 3HG2 VAL 13 -5.925 -8.362 -12.368 107 H PHE 14 H PHE 14 -3.384 -8.356 -9.798 108 HA PHE 14 HA PHE 14 -5.865 -8.705 -8.314 109 1HB PHE 14 2HB PHE 14 -3.470 -6.906 -7.895 110 2HB PHE 14 1HB PHE 14 -4.891 -6.865 -6.875 111 HD1 PHE 14 HD1 PHE 14 -5.389 -8.730 -5.381 112 HD2 PHE 14 HD2 PHE 14 -1.808 -8.606 -7.668 113 HE1 PHE 14 HE1 PHE 14 -4.381 -10.397 -3.886 114 HE2 PHE 14 HE2 PHE 14 -0.798 -10.292 -6.180 115 HZ PHE 14 HZ PHE 14 -2.093 -11.190 -4.274 116 H LYS 15 H LYS 15 -7.625 -7.619 -8.959 117 HA LYS 15 HA LYS 15 -7.277 -5.066 -10.387 118 1HB LYS 15 2HB LYS 15 -9.464 -7.143 -10.470 119 2HB LYS 15 1HB LYS 15 -9.596 -5.565 -11.218 120 1HG LYS 15 2HG LYS 15 -7.875 -6.049 -12.761 121 2HG LYS 15 1HG LYS 15 -7.416 -7.509 -11.881 122 1HD LYS 15 2HD LYS 15 -8.726 -7.995 -13.927 123 2HD LYS 15 1HD LYS 15 -9.517 -8.565 -12.456 124 1HE LYS 15 2HE LYS 15 -10.872 -6.476 -12.458 125 2HE LYS 15 1HE LYS 15 -10.167 -6.073 -14.024 126 1HZ LYS 15 1HZ LYS 15 -12.260 -7.110 -14.394 127 2HZ LYS 15 2HZ LYS 15 -11.881 -8.408 -13.366 128 3HZ LYS 15 3HZ LYS 15 -11.068 -8.228 -14.846 129 HA PRO 16 HA PRO 16 -8.944 -3.611 -6.478 130 1HB PRO 16 2HB PRO 16 -9.237 -0.984 -7.236 131 2HB PRO 16 1HB PRO 16 -7.742 -1.689 -6.617 132 1HG PRO 16 2HG PRO 16 -8.560 -1.152 -9.436 133 2HG PRO 16 1HG PRO 16 -6.973 -0.954 -8.669 134 1HD PRO 16 2HD PRO 16 -7.546 -3.059 -10.251 135 2HD PRO 16 1HD PRO 16 -6.467 -3.207 -8.850 136 H LEU 17 H LEU 17 -10.854 -2.500 -5.734 137 HA LEU 17 HA LEU 17 -13.167 -2.986 -7.461 138 1HB LEU 17 2HB LEU 17 -12.985 -2.316 -4.513 139 2HB LEU 17 1HB LEU 17 -14.476 -2.630 -5.377 140 HG LEU 17 HG LEU 17 -12.248 -4.635 -4.996 141 1HD1 LEU 17 1HD1 LEU 17 -13.376 -4.114 -2.894 142 2HD1 LEU 17 2HD1 LEU 17 -13.781 -5.739 -3.450 143 3HD1 LEU 17 3HD1 LEU 17 -14.939 -4.424 -3.651 144 1HD2 LEU 17 1HD2 LEU 17 -15.027 -4.948 -6.128 145 2HD2 LEU 17 2HD2 LEU 17 -13.859 -6.244 -5.877 146 3HD2 LEU 17 3HD2 LEU 17 -13.529 -4.973 -7.055 147 H GLN 18 H GLN 18 -11.041 -0.688 -6.932 148 HA GLN 18 HA GLN 18 -12.867 1.454 -7.737 149 1HB GLN 18 2HB GLN 18 -12.058 3.005 -6.075 150 2HB GLN 18 1HB GLN 18 -12.655 1.578 -5.242 151 1HG GLN 18 2HG GLN 18 -10.317 0.760 -5.087 152 2HG GLN 18 1HG GLN 18 -9.780 2.284 -5.787 153 1HE2 GLN 18 1HE2 GLN 18 -11.022 0.699 -2.977 154 2HE2 GLN 18 2HE2 GLN 18 -10.779 2.007 -1.880 155 H LYS 19 H LYS 19 -11.711 3.199 -8.814 156 HA LYS 19 HA LYS 19 -9.166 2.364 -9.888 157 1HB LYS 19 2HB LYS 19 -10.981 4.682 -10.414 158 2HB LYS 19 1HB LYS 19 -9.300 4.770 -10.920 159 1HG LYS 19 2HG LYS 19 -9.662 2.596 -12.126 160 2HG LYS 19 1HG LYS 19 -11.385 2.799 -11.793 161 1HD LYS 19 2HD LYS 19 -10.855 3.628 -13.994 162 2HD LYS 19 1HD LYS 19 -11.327 4.969 -12.956 163 1HE LYS 19 2HE LYS 19 -9.465 5.767 -14.119 164 2HE LYS 19 1HE LYS 19 -8.816 5.274 -12.556 165 1HZ LYS 19 1HZ LYS 19 -8.638 3.797 -15.128 166 2HZ LYS 19 2HZ LYS 19 -8.199 3.124 -13.642 167 3HZ LYS 19 3HZ LYS 19 -7.359 4.470 -14.236 168 H VAL 20 H VAL 20 -7.203 3.473 -9.622 169 HA VAL 20 HA VAL 20 -7.094 4.963 -7.077 170 HB VAL 20 HB VAL 20 -4.928 3.050 -7.792 171 1HG1 VAL 20 1HG1 VAL 20 -4.556 3.064 -5.376 172 2HG1 VAL 20 2HG1 VAL 20 -5.940 4.139 -5.176 173 3HG1 VAL 20 3HG1 VAL 20 -4.513 4.693 -6.053 174 1HG2 VAL 20 1HG2 VAL 20 -5.971 1.321 -6.408 175 2HG2 VAL 20 2HG2 VAL 20 -6.962 1.696 -7.816 176 3HG2 VAL 20 3HG2 VAL 20 -7.408 2.331 -6.233 177 H ASP 21 H ASP 21 -5.791 6.548 -6.872 178 HA ASP 21 HA ASP 21 -4.301 7.366 -9.236 179 1HB ASP 21 2HB ASP 21 -5.764 9.008 -8.207 180 2HB ASP 21 1HB ASP 21 -4.922 8.819 -6.680 181 H LEU 22 H LEU 22 -2.849 5.834 -9.033 182 HA LEU 22 HA LEU 22 -0.650 6.441 -7.187 183 1HB LEU 22 2HB LEU 22 -1.582 3.779 -8.247 184 2HB LEU 22 1HB LEU 22 -0.048 4.020 -7.459 185 HG LEU 22 HG LEU 22 -2.764 4.373 -6.211 186 1HD1 LEU 22 1HD1 LEU 22 -2.132 2.048 -6.519 187 2HD1 LEU 22 2HD1 LEU 22 -2.083 2.483 -4.811 188 3HD1 LEU 22 3HD1 LEU 22 -0.584 2.347 -5.730 189 1HD2 LEU 22 1HD2 LEU 22 -1.570 4.803 -4.127 190 2HD2 LEU 22 2HD2 LEU 22 -1.184 6.022 -5.343 191 3HD2 LEU 22 3HD2 LEU 22 -0.031 4.735 -4.987 192 H LYS 23 H LYS 23 1.294 4.877 -8.375 193 HA LYS 23 HA LYS 23 1.233 5.644 -11.187 194 1HB LYS 23 2HB LYS 23 2.732 7.143 -9.734 195 2HB LYS 23 1HB LYS 23 3.788 5.743 -9.606 196 1HG LYS 23 2HG LYS 23 4.061 5.696 -12.015 197 2HG LYS 23 1HG LYS 23 2.940 7.045 -12.187 198 1HD LYS 23 2HD LYS 23 4.519 8.395 -10.763 199 2HD LYS 23 1HD LYS 23 5.666 7.061 -10.910 200 1HE LYS 23 2HE LYS 23 5.571 7.279 -13.362 201 2HE LYS 23 1HE LYS 23 4.481 8.651 -13.182 202 1HZ LYS 23 1HZ LYS 23 6.288 9.730 -11.852 203 2HZ LYS 23 2HZ LYS 23 6.635 9.520 -13.500 204 3HZ LYS 23 3HZ LYS 23 7.321 8.476 -12.351 205 H GLU 24 H GLU 24 2.637 4.355 -12.567 206 HA GLU 24 HA GLU 24 2.227 1.620 -12.003 207 1HB GLU 24 2HB GLU 24 3.847 2.885 -14.201 208 2HB GLU 24 1HB GLU 24 3.225 1.252 -14.169 209 1HG GLU 24 2HG GLU 24 0.924 2.184 -14.077 210 2HG GLU 24 1HG GLU 24 1.626 3.784 -14.313 211 H GLY 25 H GLY 25 3.512 0.176 -11.156 212 1HA GLY 25 2HA GLY 25 5.537 -0.847 -10.546 213 2HA GLY 25 1HA GLY 25 6.386 0.635 -10.958 214 H GLU 26 H GLU 26 3.590 1.113 -9.073 215 HA GLU 26 HA GLU 26 5.181 2.056 -6.867 216 1HB GLU 26 2HB GLU 26 2.369 2.225 -7.705 217 2HB GLU 26 1HB GLU 26 2.576 2.078 -5.957 218 1HG GLU 26 2HG GLU 26 3.773 4.169 -7.757 219 2HG GLU 26 1HG GLU 26 2.470 4.389 -6.600 220 H ARG 27 H ARG 27 5.354 1.180 -4.789 221 HA ARG 27 HA ARG 27 4.987 -1.712 -4.857 222 1HB ARG 27 2HB ARG 27 6.777 0.041 -3.280 223 2HB ARG 27 1HB ARG 27 6.415 -1.565 -2.696 224 1HG ARG 27 2HG ARG 27 8.423 -1.738 -3.909 225 2HG ARG 27 1HG ARG 27 7.166 -2.431 -4.933 226 1HD ARG 27 2HD ARG 27 8.447 -1.096 -6.356 227 2HD ARG 27 1HD ARG 27 7.007 -0.143 -6.015 228 HE ARG 27 HE ARG 27 9.347 0.324 -4.339 229 1HH1 ARG 27 1HH1 ARG 27 7.345 1.386 -7.002 230 2HH1 ARG 27 2HH1 ARG 27 7.905 3.033 -6.939 231 1HH2 ARG 27 1HH2 ARG 27 10.127 2.478 -4.270 232 2HH2 ARG 27 2HH2 ARG 27 9.478 3.650 -5.376 233 H VAL 28 H VAL 28 3.505 -2.598 -4.013 234 HA VAL 28 HA VAL 28 2.108 -1.455 -1.689 235 HB VAL 28 HB VAL 28 -0.016 -2.297 -2.624 236 1HG1 VAL 28 1HG1 VAL 28 1.458 -0.416 -4.465 237 2HG1 VAL 28 2HG1 VAL 28 0.611 0.031 -2.984 238 3HG1 VAL 28 3HG1 VAL 28 -0.293 -0.598 -4.362 239 1HG2 VAL 28 1HG2 VAL 28 -0.151 -3.003 -4.949 240 2HG2 VAL 28 2HG2 VAL 28 0.899 -4.082 -4.029 241 3HG2 VAL 28 3HG2 VAL 28 1.598 -2.873 -5.108 242 H LYS 29 H LYS 29 1.241 -2.945 -0.238 243 HA LYS 29 HA LYS 29 2.254 -5.677 -0.554 244 1HB LYS 29 2HB LYS 29 1.730 -4.062 1.931 245 2HB LYS 29 1HB LYS 29 2.061 -5.780 1.936 246 1HG LYS 29 2HG LYS 29 4.217 -5.203 0.707 247 2HG LYS 29 1HG LYS 29 3.891 -3.537 1.190 248 1HD LYS 29 2HD LYS 29 3.759 -4.304 3.544 249 2HD LYS 29 1HD LYS 29 4.226 -5.916 3.011 250 1HE LYS 29 2HE LYS 29 5.867 -3.393 2.804 251 2HE LYS 29 1HE LYS 29 6.169 -4.770 3.861 252 1HZ LYS 29 1HZ LYS 29 6.477 -4.593 0.932 253 2HZ LYS 29 2HZ LYS 29 6.296 -6.095 1.694 254 3HZ LYS 29 3HZ LYS 29 7.612 -5.091 2.089 255 H ILE 30 H ILE 30 0.908 -7.314 -0.231 256 HA ILE 30 HA ILE 30 -1.953 -6.636 -0.165 257 HB ILE 30 HB ILE 30 -0.977 -9.337 -0.964 258 1HG1 ILE 30 2HG1 ILE 30 0.361 -7.811 -2.354 259 2HG1 ILE 30 1HG1 ILE 30 -0.826 -8.681 -3.314 260 1HG2 ILE 30 1HG2 ILE 30 -3.007 -9.293 -2.353 261 2HG2 ILE 30 2HG2 ILE 30 -3.346 -7.667 -1.760 262 3HG2 ILE 30 3HG2 ILE 30 -3.337 -9.030 -0.640 263 1HD1 ILE 30 1HD1 ILE 30 -0.684 -6.378 -4.015 264 2HD1 ILE 30 2HD1 ILE 30 -1.045 -5.834 -2.377 265 3HD1 ILE 30 3HD1 ILE 30 -2.267 -6.701 -3.308 266 H LYS 31 H LYS 31 -3.169 -7.440 1.341 267 HA LYS 31 HA LYS 31 -2.346 -9.783 2.773 268 1HB LYS 31 2HB LYS 31 -3.081 -8.946 4.871 269 2HB LYS 31 1HB LYS 31 -1.774 -7.972 4.254 270 1HG LYS 31 2HG LYS 31 -4.665 -7.222 4.074 271 2HG LYS 31 1HG LYS 31 -3.581 -6.767 5.369 272 1HD LYS 31 2HD LYS 31 -3.263 -6.068 2.473 273 2HD LYS 31 1HD LYS 31 -3.783 -4.992 3.753 274 1HE LYS 31 2HE LYS 31 -1.092 -6.348 3.697 275 2HE LYS 31 1HE LYS 31 -1.383 -4.732 3.057 276 1HZ LYS 31 1HZ LYS 31 -1.746 -5.583 5.890 277 2HZ LYS 31 2HZ LYS 31 -2.062 -4.035 5.279 278 3HZ LYS 31 3HZ LYS 31 -0.478 -4.625 5.281 279 H LEU 32 H LEU 32 -4.326 -10.787 3.806 280 HA LEU 32 HA LEU 32 -6.061 -10.811 1.466 281 1HB LEU 32 2HB LEU 32 -4.411 -12.575 1.601 282 2HB LEU 32 1HB LEU 32 -4.986 -13.024 3.190 283 HG LEU 32 HG LEU 32 -6.985 -13.899 2.320 284 1HD1 LEU 32 1HD1 LEU 32 -6.147 -12.853 -0.382 285 2HD1 LEU 32 2HD1 LEU 32 -7.432 -12.178 0.619 286 3HD1 LEU 32 3HD1 LEU 32 -7.593 -13.805 -0.041 287 1HD2 LEU 32 1HD2 LEU 32 -5.004 -15.321 2.112 288 2HD2 LEU 32 2HD2 LEU 32 -4.703 -14.658 0.501 289 3HD2 LEU 32 3HD2 LEU 32 -6.148 -15.628 0.804 290 H GLU 33 H GLU 33 -8.204 -10.909 1.671 291 HA GLU 33 HA GLU 33 -9.272 -10.476 4.357 292 1HB GLU 33 2HB GLU 33 -9.779 -8.754 2.768 293 2HB GLU 33 1HB GLU 33 -10.375 -9.930 1.614 294 1HG GLU 33 2HG GLU 33 -12.247 -8.864 2.542 295 2HG GLU 33 1HG GLU 33 -12.192 -10.479 3.237 296 H LEU 34 H LEU 34 -10.922 -11.626 5.164 297 HA LEU 34 HA LEU 34 -12.182 -13.778 3.742 298 1HB LEU 34 2HB LEU 34 -10.055 -14.253 5.786 299 2HB LEU 34 1HB LEU 34 -11.413 -15.349 5.697 300 HG LEU 34 HG LEU 34 -9.626 -14.719 3.368 301 1HD1 LEU 34 1HD1 LEU 34 -9.581 -17.085 5.238 302 2HD1 LEU 34 2HD1 LEU 34 -8.351 -15.826 5.132 303 3HD1 LEU 34 3HD1 LEU 34 -8.616 -16.919 3.772 304 1HD2 LEU 34 1HD2 LEU 34 -11.716 -16.841 3.818 305 2HD2 LEU 34 2HD2 LEU 34 -10.657 -16.746 2.411 306 3HD2 LEU 34 3HD2 LEU 34 -11.832 -15.467 2.718 307 H LYS 35 H LYS 35 -13.591 -15.054 5.311 308 HA LYS 35 HA LYS 35 -14.641 -13.288 7.394 309 1HB LYS 35 2HB LYS 35 -15.804 -15.586 5.844 310 2HB LYS 35 1HB LYS 35 -16.521 -15.051 7.344 311 1HG LYS 35 2HG LYS 35 -16.822 -12.802 6.371 312 2HG LYS 35 1HG LYS 35 -16.165 -13.409 4.849 313 1HD LYS 35 2HD LYS 35 -18.602 -13.381 4.796 314 2HD LYS 35 1HD LYS 35 -17.989 -15.034 4.711 315 1HE LYS 35 2HE LYS 35 -19.853 -15.005 6.224 316 2HE LYS 35 1HE LYS 35 -18.379 -15.238 7.162 317 1HZ LYS 35 1HZ LYS 35 -19.662 -13.654 8.319 318 2HZ LYS 35 2HZ LYS 35 -20.010 -12.771 6.917 319 3HZ LYS 35 3HZ LYS 35 -18.441 -12.758 7.554 320 H VAL 36 H VAL 36 -15.409 -14.514 9.392 321 HA VAL 36 HA VAL 36 -13.276 -16.044 10.476 322 HB VAL 36 HB VAL 36 -16.115 -15.926 11.504 323 1HG1 VAL 36 1HG1 VAL 36 -13.511 -16.503 12.916 324 2HG1 VAL 36 2HG1 VAL 36 -14.774 -17.674 12.537 325 3HG1 VAL 36 3HG1 VAL 36 -15.091 -16.378 13.690 326 1HG2 VAL 36 1HG2 VAL 36 -15.416 -14.047 12.879 327 2HG2 VAL 36 2HG2 VAL 36 -15.218 -13.672 11.168 328 3HG2 VAL 36 3HG2 VAL 36 -13.813 -14.090 12.149 329 H GLU 37 H GLU 37 -13.112 -18.275 10.790 330 HA GLU 37 HA GLU 37 -14.123 -19.900 8.777 331 1HB GLU 37 2HB GLU 37 -12.987 -20.695 11.461 332 2HB GLU 37 1HB GLU 37 -13.171 -21.747 10.075 333 1HG GLU 37 2HG GLU 37 -11.677 -20.130 8.817 334 2HG GLU 37 1HG GLU 37 -11.325 -19.413 10.386 335 HA PRO 38 HA PRO 38 -18.288 -20.434 9.936 336 1HB PRO 38 2HB PRO 38 -18.020 -23.080 8.615 337 2HB PRO 38 1HB PRO 38 -19.160 -21.768 8.297 338 1HG PRO 38 2HG PRO 38 -17.121 -22.240 6.650 339 2HG PRO 38 1HG PRO 38 -17.640 -20.585 7.016 340 1HD PRO 38 2HD PRO 38 -15.284 -22.103 8.046 341 2HD PRO 38 1HD PRO 38 -15.430 -20.388 7.626 342 H ILE 39 H ILE 39 -19.773 -22.115 10.785 343 HA ILE 39 HA ILE 39 -18.715 -23.094 13.247 344 HB ILE 39 HB ILE 39 -21.058 -23.863 13.639 345 1HG1 ILE 39 2HG1 ILE 39 -21.586 -22.524 10.979 346 2HG1 ILE 39 1HG1 ILE 39 -21.662 -24.259 11.276 347 1HG2 ILE 39 1HG2 ILE 39 -21.989 -21.611 13.874 348 2HG2 ILE 39 2HG2 ILE 39 -20.726 -20.986 12.814 349 3HG2 ILE 39 3HG2 ILE 39 -20.300 -21.673 14.381 350 1HD1 ILE 39 1HD1 ILE 39 -23.418 -22.176 12.565 351 2HD1 ILE 39 2HD1 ILE 39 -23.513 -23.920 12.816 352 3HD1 ILE 39 3HD1 ILE 39 -23.877 -23.237 11.233 353 H ASP 40 H ASP 40 -18.614 -25.196 13.953 354 HA ASP 40 HA ASP 40 -18.422 -27.204 11.824 355 1HB ASP 40 2HB ASP 40 -16.456 -26.876 13.292 356 2HB ASP 40 1HB ASP 40 -17.440 -27.282 14.692 357 H LEU 41 H LEU 41 -20.474 -27.919 11.511 358 HA LEU 41 HA LEU 41 -22.156 -28.444 13.840 359 1HB LEU 41 2HB LEU 41 -24.025 -28.492 12.339 360 2HB LEU 41 1HB LEU 41 -23.071 -27.064 12.004 361 HG LEU 41 HG LEU 41 -22.840 -29.577 10.353 362 1HD1 LEU 41 1HD1 LEU 41 -24.635 -27.195 9.896 363 2HD1 LEU 41 2HD1 LEU 41 -25.157 -28.836 10.276 364 3HD1 LEU 41 3HD1 LEU 41 -24.349 -28.499 8.745 365 1HD2 LEU 41 1HD2 LEU 41 -21.945 -28.043 8.673 366 2HD2 LEU 41 2HD2 LEU 41 -20.995 -27.982 10.159 367 3HD2 LEU 41 3HD2 LEU 41 -22.143 -26.694 9.791 368 H GLY 42 H GLY 42 -23.770 -30.360 13.313 369 1HA GLY 42 2HA GLY 42 -22.056 -32.700 12.954 370 2HA GLY 42 1HA GLY 42 -23.588 -32.671 13.817 371 H GLU 43 H GLU 43 -22.092 -33.546 11.097 372 HA GLU 43 HA GLU 43 -24.090 -33.063 9.123 373 1HB GLU 43 2HB GLU 43 -21.817 -35.040 9.099 374 2HB GLU 43 1HB GLU 43 -22.716 -34.468 7.704 375 1HG GLU 43 2HG GLU 43 -21.774 -32.317 7.845 376 2HG GLU 43 1HG GLU 43 -21.170 -32.609 9.477 377 HA PRO 44 HA PRO 44 -26.701 -36.588 9.991 378 1HB PRO 44 2HB PRO 44 -27.653 -36.314 7.233 379 2HB PRO 44 1HB PRO 44 -28.538 -36.086 8.744 380 1HG PRO 44 2HG PRO 44 -27.894 -34.025 7.108 381 2HG PRO 44 1HG PRO 44 -28.004 -33.847 8.868 382 1HD PRO 44 2HD PRO 44 -25.582 -34.134 7.138 383 2HD PRO 44 1HD PRO 44 -25.839 -33.094 8.555 384 H VAL 45 H VAL 45 -25.876 -38.585 9.936 385 HA VAL 45 HA VAL 45 -23.912 -39.333 8.009 386 HB VAL 45 HB VAL 45 -25.280 -41.307 9.797 387 1HG1 VAL 45 1HG1 VAL 45 -23.020 -42.296 9.899 388 2HG1 VAL 45 2HG1 VAL 45 -22.445 -41.035 8.809 389 3HG1 VAL 45 3HG1 VAL 45 -23.647 -42.200 8.255 390 1HG2 VAL 45 1HG2 VAL 45 -23.682 -40.698 11.599 391 2HG2 VAL 45 2HG2 VAL 45 -24.845 -39.418 11.253 392 3HG2 VAL 45 3HG2 VAL 45 -23.194 -39.296 10.647 393 H SER 46 H SER 46 -24.019 -40.916 6.442 394 HA SER 46 HA SER 46 -26.693 -41.378 5.361 395 1HB SER 46 2HB SER 46 -23.983 -41.770 4.082 396 2HB SER 46 1HB SER 46 -25.541 -41.868 3.279 397 HG SER 46 HG SER 46 -24.912 -39.529 4.679 398 H VAL 47 H VAL 47 -26.847 -43.546 4.127 399 HA VAL 47 HA VAL 47 -25.812 -45.671 5.883 400 HB VAL 47 HB VAL 47 -28.245 -45.355 6.084 401 1HG1 VAL 47 1HG1 VAL 47 -29.734 -45.922 4.239 402 2HG1 VAL 47 2HG1 VAL 47 -28.345 -46.102 3.170 403 3HG1 VAL 47 3HG1 VAL 47 -28.733 -44.523 3.856 404 1HG2 VAL 47 1HG2 VAL 47 -27.459 -47.954 4.760 405 2HG2 VAL 47 2HG2 VAL 47 -28.907 -47.698 5.733 406 3HG2 VAL 47 3HG2 VAL 47 -27.313 -47.570 6.476 407 H GLU 48 H GLU 48 -25.124 -47.602 4.910 408 HA GLU 48 HA GLU 48 -24.001 -47.301 2.301 409 1HB GLU 48 2HB GLU 48 -24.145 -49.772 4.042 410 2HB GLU 48 1HB GLU 48 -23.096 -49.539 2.651 411 1HG GLU 48 2HG GLU 48 -21.948 -47.721 3.842 412 2HG GLU 48 1HG GLU 48 -22.975 -48.014 5.246 413 H GLU 49 H GLU 49 -24.652 -48.155 0.415 414 HA GLU 49 HA GLU 49 -27.289 -49.364 0.295 415 1HB GLU 49 2HB GLU 49 -27.162 -49.074 -2.090 416 2HB GLU 49 1HB GLU 49 -26.626 -47.589 -1.323 417 1HG GLU 49 2HG GLU 49 -24.723 -49.687 -2.327 418 2HG GLU 49 1HG GLU 49 -25.307 -48.359 -3.325 419 H ILE 50 H ILE 50 -24.005 -50.248 0.218 420 HA ILE 50 HA ILE 50 -24.292 -52.644 -1.330 421 HB ILE 50 HB ILE 50 -21.948 -53.095 -0.638 422 1HG1 ILE 50 2HG1 ILE 50 -22.242 -50.459 0.818 423 2HG1 ILE 50 1HG1 ILE 50 -22.064 -52.030 1.587 424 1HG2 ILE 50 1HG2 ILE 50 -22.421 -51.826 -2.653 425 2HG2 ILE 50 2HG2 ILE 50 -20.980 -51.194 -1.856 426 3HG2 ILE 50 3HG2 ILE 50 -22.516 -50.337 -1.713 427 1HD1 ILE 50 1HD1 ILE 50 -19.977 -50.824 1.618 428 2HD1 ILE 50 2HD1 ILE 50 -20.023 -50.647 -0.136 429 3HD1 ILE 50 3HD1 ILE 50 -19.838 -52.245 0.584 430 H LYS 51 H LYS 51 -25.305 -52.043 1.734 431 HA LYS 51 HA LYS 51 -24.366 -54.262 3.157 432 1HB LYS 51 2HB LYS 51 -25.789 -53.587 4.821 433 2HB LYS 51 1HB LYS 51 -25.535 -52.102 3.956 434 1HG LYS 51 2HG LYS 51 -27.942 -53.873 3.623 435 2HG LYS 51 1HG LYS 51 -27.867 -52.454 4.662 436 1HD LYS 51 2HD LYS 51 -27.326 -51.090 2.657 437 2HD LYS 51 1HD LYS 51 -27.583 -52.524 1.661 438 1HE LYS 51 2HE LYS 51 -29.610 -51.204 3.458 439 2HE LYS 51 1HE LYS 51 -29.571 -51.107 1.702 440 1HZ LYS 51 1HZ LYS 51 -29.899 -53.646 3.214 441 2HZ LYS 51 2HZ LYS 51 -30.070 -53.424 1.538 442 3HZ LYS 51 3HZ LYS 51 -31.187 -52.726 2.609 443 H LYS 52 H LYS 52 -25.192 -56.301 3.434 444 HA LYS 52 HA LYS 52 -27.329 -57.069 1.592 445 1HB LYS 52 2HB LYS 52 -26.112 -59.203 1.365 446 2HB LYS 52 1HB LYS 52 -25.223 -57.835 0.734 447 1HG LYS 52 2HG LYS 52 -23.997 -57.801 2.949 448 2HG LYS 52 1HG LYS 52 -24.747 -59.365 3.273 449 1HD LYS 52 2HD LYS 52 -22.947 -58.687 0.952 450 2HD LYS 52 1HD LYS 52 -22.525 -59.670 2.352 451 1HE LYS 52 2HE LYS 52 -24.186 -61.334 1.708 452 2HE LYS 52 1HE LYS 52 -24.674 -60.335 0.339 453 1HZ LYS 52 1HZ LYS 52 -23.216 -62.000 -0.470 454 2HZ LYS 52 2HZ LYS 52 -22.061 -61.689 0.735 455 3HZ LYS 52 3HZ LYS 52 -22.345 -60.544 -0.481 456 H ILE 53 H ILE 53 -28.516 -58.979 2.204 457 HA ILE 53 HA ILE 53 -29.587 -60.419 3.563 458 HB ILE 53 HB ILE 53 -27.268 -59.808 5.335 459 1HG1 ILE 53 2HG1 ILE 53 -28.139 -62.303 3.867 460 2HG1 ILE 53 1HG1 ILE 53 -26.846 -61.208 3.379 461 1HG2 ILE 53 1HG2 ILE 53 -29.533 -61.704 5.964 462 2HG2 ILE 53 2HG2 ILE 53 -29.155 -60.213 6.825 463 3HG2 ILE 53 3HG2 ILE 53 -28.028 -61.567 6.874 464 1HD1 ILE 53 1HD1 ILE 53 -25.613 -61.792 5.405 465 2HD1 ILE 53 2HD1 ILE 53 -25.955 -63.203 4.406 466 3HD1 ILE 53 3HD1 ILE 53 -26.902 -62.903 5.864 467 H ARG 54 H ARG 54 -31.436 -60.113 4.509 468 HA ARG 54 HA ARG 54 -31.693 -58.260 6.735 469 1HB ARG 54 2HB ARG 54 -32.475 -57.144 4.572 470 2HB ARG 54 1HB ARG 54 -33.751 -58.353 4.513 471 1HG ARG 54 2HG ARG 54 -34.682 -57.551 6.574 472 2HG ARG 54 1HG ARG 54 -33.322 -56.453 6.799 473 1HD ARG 54 2HD ARG 54 -35.326 -55.302 5.963 474 2HD ARG 54 1HD ARG 54 -33.966 -55.190 4.848 475 HE ARG 54 HE ARG 54 -35.340 -57.349 3.937 476 1HH1 ARG 54 1HH1 ARG 54 -36.365 -54.109 4.802 477 2HH1 ARG 54 2HH1 ARG 54 -37.536 -54.003 3.520 478 1HH2 ARG 54 1HH2 ARG 54 -36.848 -57.194 2.227 479 2HH2 ARG 54 2HH2 ARG 54 -37.794 -55.746 2.040 480 H ASP 55 H ASP 55 -34.431 -58.750 7.255 481 HA ASP 55 HA ASP 55 -34.260 -61.312 8.428 482 1HB ASP 55 2HB ASP 55 -36.575 -60.987 9.123 483 2HB ASP 55 1HB ASP 55 -35.635 -59.531 9.400 484 H GLY 56 H GLY 56 -35.285 -63.173 8.020 485 1HA GLY 56 2HA GLY 56 -37.113 -63.651 5.924 486 2HA GLY 56 1HA GLY 56 -35.487 -64.020 5.364 487 H THR 57 H THR 57 -38.061 -64.920 7.521 488 HA THR 57 HA THR 57 -36.716 -66.994 8.899 489 HB THR 57 HB THR 57 -39.667 -66.943 8.322 490 HG1 THR 57 HG1 THR 57 -38.628 -65.718 10.627 491 1HG2 THR 57 1HG2 THR 57 -38.061 -67.922 10.683 492 2HG2 THR 57 2HG2 THR 57 -38.825 -68.934 9.458 493 3HG2 THR 57 3HG2 THR 57 -39.818 -67.968 10.550 494 H TRP 58 H TRP 58 -36.299 -69.039 8.344 495 HA TRP 58 HA TRP 58 -37.290 -69.958 5.724 496 1HB TRP 58 2HB TRP 58 -34.845 -69.559 5.803 497 2HB TRP 58 1HB TRP 58 -34.712 -70.711 7.125 498 HD1 TRP 58 HD1 TRP 58 -34.205 -73.134 6.452 499 HE1 TRP 58 HE1 TRP 58 -34.250 -74.493 4.262 500 HE3 TRP 58 HE3 TRP 58 -36.273 -69.621 3.370 501 HZ2 TRP 58 HZ2 TRP 58 -35.053 -74.113 1.578 502 HZ3 TRP 58 HZ3 TRP 58 -36.641 -70.193 1.005 503 HH2 TRP 58 HH2 TRP 58 -36.044 -72.392 0.127 504 H MET 59 H MET 59 -38.323 -71.853 5.613 505 HA MET 59 HA MET 59 -39.079 -73.132 8.090 506 1HB MET 59 2HB MET 59 -40.739 -72.644 6.331 507 2HB MET 59 1HB MET 59 -39.884 -73.720 5.235 508 1HG MET 59 2HG MET 59 -40.381 -75.613 6.684 509 2HG MET 59 1HG MET 59 -41.218 -74.541 7.806 510 1HE MET 59 1HE MET 59 -42.655 -72.548 5.768 511 2HE MET 59 2HE MET 59 -43.477 -73.217 7.177 512 3HE MET 59 3HE MET 59 -44.235 -73.311 5.588 513 H SER 60 H SER 60 -38.732 -75.277 8.627 514 HA SER 60 HA SER 60 -36.245 -76.375 7.905 515 1HB SER 60 2HB SER 60 -37.588 -78.423 9.138 516 2HB SER 60 1HB SER 60 -36.722 -77.136 9.977 517 HG SER 60 HG SER 60 -39.459 -77.567 9.708 518 H SER 61 H SER 61 -35.796 -77.258 6.001 519 HA SER 61 HA SER 61 -37.838 -78.489 4.375 520 1HB SER 61 2HB SER 61 -34.846 -78.437 3.916 521 2HB SER 61 1HB SER 61 -36.099 -78.744 2.712 522 HG SER 61 HG SER 61 -36.849 -76.502 3.493 523 H LEU 62 H LEU 62 -36.112 -79.539 6.939 524 HA LEU 62 HA LEU 62 -35.317 -82.123 6.019 525 1HB LEU 62 2HB LEU 62 -33.999 -81.049 7.699 526 2HB LEU 62 1HB LEU 62 -35.398 -80.828 8.730 527 HG LEU 62 HG LEU 62 -35.530 -83.302 8.970 528 1HD1 LEU 62 1HD1 LEU 62 -32.848 -83.226 7.601 529 2HD1 LEU 62 2HD1 LEU 62 -34.325 -83.945 6.959 530 3HD1 LEU 62 3HD1 LEU 62 -33.560 -84.632 8.392 531 1HD2 LEU 62 1HD2 LEU 62 -32.964 -81.998 9.855 532 2HD2 LEU 62 2HD2 LEU 62 -33.673 -83.455 10.553 533 3HD2 LEU 62 3HD2 LEU 62 -34.517 -81.912 10.687 534 H GLU 63 H GLU 63 -38.148 -80.770 7.263 535 HA GLU 63 HA GLU 63 -39.147 -83.059 8.637 536 1HB GLU 63 2HB GLU 63 -40.598 -80.598 7.656 537 2HB GLU 63 1HB GLU 63 -41.262 -81.803 8.751 538 1HG GLU 63 2HG GLU 63 -39.417 -81.271 10.344 539 2HG GLU 63 1HG GLU 63 -38.946 -79.953 9.273 540 H HIS 64 H HIS 64 -39.376 -84.845 7.480 541 HA HIS 64 HA HIS 64 -40.994 -84.720 5.025 542 1HB HIS 64 2HB HIS 64 -38.764 -86.590 5.827 543 2HB HIS 64 1HB HIS 64 -39.886 -86.973 4.524 544 HD1 HIS 64 HD1 HIS 64 -37.022 -84.724 5.392 545 HD2 HIS 64 HD2 HIS 64 -39.529 -85.508 2.171 546 HE1 HIS 64 HE1 HIS 64 -35.966 -83.576 3.421 547 HE2 HIS 64 HE2 HIS 64 -37.626 -83.868 1.546 548 H HIS 65 H HIS 65 -41.681 -87.374 4.759 549 HA HIS 65 HA HIS 65 -42.920 -88.225 7.236 550 1HB HIS 65 2HB HIS 65 -45.203 -88.135 6.444 551 2HB HIS 65 1HB HIS 65 -44.504 -86.526 6.345 552 HD1 HIS 65 HD1 HIS 65 -46.675 -88.583 4.519 553 HD2 HIS 65 HD2 HIS 65 -43.420 -86.211 3.454 554 HE1 HIS 65 HE1 HIS 65 -46.927 -88.143 2.057 555 HE2 HIS 65 HE2 HIS 65 -44.909 -86.775 1.409 556 H HIS 66 H HIS 66 -43.268 -90.385 7.300 557 HA HIS 66 HA HIS 66 -42.431 -91.929 4.978 558 1HB HIS 66 2HB HIS 66 -43.260 -92.812 7.756 559 2HB HIS 66 1HB HIS 66 -42.689 -93.893 6.490 560 HD1 HIS 66 HD1 HIS 66 -40.273 -94.422 6.612 561 HD2 HIS 66 HD2 HIS 66 -41.161 -90.762 8.379 562 HE1 HIS 66 HE1 HIS 66 -38.109 -93.597 7.596 563 HE2 HIS 66 HE2 HIS 66 -38.743 -91.513 8.871 564 H HIS 67 H HIS 67 -43.767 -93.656 4.107 565 HA HIS 67 HA HIS 67 -46.635 -93.203 4.514 566 1HB HIS 67 2HB HIS 67 -46.914 -93.565 1.994 567 2HB HIS 67 1HB HIS 67 -46.290 -92.006 2.512 568 HD1 HIS 67 HD1 HIS 67 -45.342 -95.103 0.646 569 HD2 HIS 67 HD2 HIS 67 -43.619 -91.491 1.796 570 HE1 HIS 67 HE1 HIS 67 -43.212 -94.911 -0.677 571 HE2 HIS 67 HE2 HIS 67 -42.101 -92.809 0.171 572 H HIS 68 H HIS 68 -47.135 -95.025 5.545 573 HA HIS 68 HA HIS 68 -47.457 -97.372 3.987 574 1HB HIS 68 2HB HIS 68 -45.052 -97.636 4.649 575 2HB HIS 68 1HB HIS 68 -45.560 -97.640 6.336 576 HD1 HIS 68 HD1 HIS 68 -45.733 -99.922 7.257 577 HD2 HIS 68 HD2 HIS 68 -46.586 -99.831 3.182 578 HE1 HIS 68 HE1 HIS 68 -46.262-102.301 6.617 579 HE2 HIS 68 HE2 HIS 68 -46.906-102.203 4.178 580 H HIS 69 H HIS 69 -49.259 -98.314 4.659 581 HA HIS 69 HA HIS 69 -50.228 -97.699 7.373 582 1HB HIS 69 2HB HIS 69 -51.571 -96.685 5.563 583 2HB HIS 69 1HB HIS 69 -51.817 -98.279 4.859 584 HD1 HIS 69 HD1 HIS 69 -53.479 -99.873 6.081 585 HD2 HIS 69 HD2 HIS 69 -53.176 -96.073 7.747 586 HE1 HIS 69 HE1 HIS 69 -55.457 -99.647 7.617 587 HE2 HIS 69 HE2 HIS 69 -55.355 -97.276 8.464 588 1H MET 1 1H MET 1 0.564 -17.336 8.826 589 2H MET 1 2H MET 1 -0.925 -18.014 8.382 590 3H MET 1 3H MET 1 -0.503 -17.899 10.017 591 HA MET 1 HA MET 1 -2.090 -16.188 9.488 592 1HB MET 1 2HB MET 1 0.723 -15.111 9.814 593 2HB MET 1 1HB MET 1 -0.738 -14.177 10.078 594 1HG MET 1 2HG MET 1 0.011 -14.796 12.197 595 2HG MET 1 1HG MET 1 -1.343 -15.869 11.848 596 1HE MET 1 1HE MET 1 1.294 -17.910 14.027 597 2HE MET 1 2HE MET 1 -0.356 -17.288 14.000 598 3HE MET 1 3HE MET 1 1.008 -16.171 14.095 599 HA PRO 2 HA PRO 2 -1.989 -14.324 5.428 600 1HB PRO 2 2HB PRO 2 -3.001 -11.827 6.613 601 2HB PRO 2 1HB PRO 2 -3.761 -12.894 5.426 602 1HG PRO 2 2HG PRO 2 -4.649 -12.724 7.966 603 2HG PRO 2 1HG PRO 2 -4.706 -14.240 7.047 604 1HD PRO 2 2HD PRO 2 -2.757 -13.371 9.153 605 2HD PRO 2 1HD PRO 2 -3.502 -14.963 8.895 606 H LYS 3 H LYS 3 0.162 -14.081 5.015 607 HA LYS 3 HA LYS 3 1.739 -12.030 6.283 608 1HB LYS 3 2HB LYS 3 2.407 -13.790 3.918 609 2HB LYS 3 1HB LYS 3 3.544 -12.836 4.858 610 1HG LYS 3 2HG LYS 3 3.271 -14.229 6.760 611 2HG LYS 3 1HG LYS 3 1.899 -15.063 6.023 612 1HD LYS 3 2HD LYS 3 3.384 -15.920 4.271 613 2HD LYS 3 1HD LYS 3 4.748 -15.110 5.044 614 1HE LYS 3 2HE LYS 3 4.636 -16.514 6.939 615 2HE LYS 3 1HE LYS 3 3.038 -17.115 6.490 616 1HZ LYS 3 1HZ LYS 3 3.991 -18.259 4.626 617 2HZ LYS 3 2HZ LYS 3 4.818 -18.717 6.030 618 3HZ LYS 3 3HZ LYS 3 5.529 -17.617 4.950 619 H ILE 4 H ILE 4 3.000 -10.476 4.889 620 HA ILE 4 HA ILE 4 1.263 -9.212 2.996 621 HB ILE 4 HB ILE 4 2.936 -7.496 2.791 622 1HG1 ILE 4 2HG1 ILE 4 4.934 -8.972 3.041 623 2HG1 ILE 4 1HG1 ILE 4 5.006 -7.467 3.925 624 1HG2 ILE 4 1HG2 ILE 4 2.913 -6.614 5.052 625 2HG2 ILE 4 2HG2 ILE 4 2.416 -8.196 5.657 626 3HG2 ILE 4 3HG2 ILE 4 1.352 -7.286 4.582 627 1HD1 ILE 4 1HD1 ILE 4 4.194 -8.853 5.936 628 2HD1 ILE 4 2HD1 ILE 4 5.874 -8.995 5.422 629 3HD1 ILE 4 3HD1 ILE 4 4.711 -10.240 4.974 630 H ILE 5 H ILE 5 1.341 -9.428 0.902 631 HA ILE 5 HA ILE 5 3.713 -10.690 -0.313 632 HB ILE 5 HB ILE 5 1.123 -10.245 -1.738 633 1HG1 ILE 5 2HG1 ILE 5 1.802 -12.688 -0.094 634 2HG1 ILE 5 1HG1 ILE 5 0.603 -11.481 0.350 635 1HG2 ILE 5 1HG2 ILE 5 3.294 -12.287 -2.072 636 2HG2 ILE 5 2HG2 ILE 5 3.064 -10.844 -3.059 637 3HG2 ILE 5 3HG2 ILE 5 1.858 -12.132 -3.087 638 1HD1 ILE 5 1HD1 ILE 5 -0.449 -13.456 -0.582 639 2HD1 ILE 5 2HD1 ILE 5 0.490 -13.272 -2.062 640 3HD1 ILE 5 3HD1 ILE 5 -0.711 -12.057 -1.627 641 H GLU 6 H GLU 6 4.726 -9.568 -1.998 642 HA GLU 6 HA GLU 6 3.999 -6.742 -2.073 643 1HB GLU 6 2HB GLU 6 6.593 -8.169 -2.588 644 2HB GLU 6 1HB GLU 6 6.330 -6.525 -3.147 645 1HG GLU 6 2HG GLU 6 7.442 -6.355 -1.063 646 2HG GLU 6 1HG GLU 6 5.767 -5.905 -0.785 647 H ALA 7 H ALA 7 3.521 -5.702 -3.918 648 HA ALA 7 HA ALA 7 3.685 -7.168 -6.462 649 1HB ALA 7 1HB ALA 7 1.146 -5.880 -5.401 650 2HB ALA 7 2HB ALA 7 1.449 -7.614 -5.489 651 3HB ALA 7 3HB ALA 7 1.346 -6.660 -6.970 652 H VAL 8 H VAL 8 3.391 -5.693 -8.309 653 HA VAL 8 HA VAL 8 3.830 -2.872 -7.644 654 HB VAL 8 HB VAL 8 4.877 -2.788 -9.965 655 1HG1 VAL 8 1HG1 VAL 8 6.192 -2.585 -7.940 656 2HG1 VAL 8 2HG1 VAL 8 7.062 -3.565 -9.122 657 3HG1 VAL 8 3HG1 VAL 8 6.234 -4.339 -7.771 658 1HG2 VAL 8 1HG2 VAL 8 5.849 -4.875 -10.796 659 2HG2 VAL 8 2HG2 VAL 8 4.087 -4.938 -10.785 660 3HG2 VAL 8 3HG2 VAL 8 5.005 -5.761 -9.525 661 H TYR 9 H TYR 9 2.277 -1.554 -8.226 662 HA TYR 9 HA TYR 9 0.066 -2.402 -9.909 663 1HB TYR 9 2HB TYR 9 -0.248 -1.032 -7.872 664 2HB TYR 9 1HB TYR 9 0.724 0.252 -8.568 665 HD1 TYR 9 HD1 TYR 9 -0.263 1.901 -9.959 666 HD2 TYR 9 HD2 TYR 9 -2.485 -1.576 -8.900 667 HE1 TYR 9 HE1 TYR 9 -2.317 2.957 -10.812 668 HE2 TYR 9 HE2 TYR 9 -4.537 -0.537 -9.760 669 HH TYR 9 HH TYR 9 -4.534 2.268 -11.671 670 H GLU 10 H GLU 10 0.644 -2.637 -11.939 671 HA GLU 10 HA GLU 10 1.709 -0.293 -13.364 672 1HB GLU 10 2HB GLU 10 2.171 -3.235 -13.871 673 2HB GLU 10 1HB GLU 10 2.588 -1.978 -15.009 674 1HG GLU 10 2HG GLU 10 4.058 -0.991 -13.220 675 2HG GLU 10 1HG GLU 10 3.765 -2.469 -12.300 676 H ASN 11 H ASN 11 0.686 0.233 -15.303 677 HA ASN 11 HA ASN 11 -0.899 0.299 -16.920 678 1HB ASN 11 2HB ASN 11 -0.076 -2.116 -17.220 679 2HB ASN 11 1HB ASN 11 -1.538 -2.592 -16.369 680 1HD2 ASN 11 1HD2 ASN 11 -1.156 0.053 -18.680 681 2HD2 ASN 11 2HD2 ASN 11 -2.251 -0.593 -19.858 682 H GLY 12 H GLY 12 -1.573 0.333 -13.865 683 1HA GLY 12 2HA GLY 12 -3.543 0.978 -12.775 684 2HA GLY 12 1HA GLY 12 -4.450 0.549 -14.223 685 H VAL 13 H VAL 13 -2.164 -1.689 -13.137 686 HA VAL 13 HA VAL 13 -4.262 -3.455 -12.006 687 HB VAL 13 HB VAL 13 -1.719 -4.316 -13.338 688 1HG1 VAL 13 1HG1 VAL 13 -4.299 -5.774 -12.784 689 2HG1 VAL 13 2HG1 VAL 13 -2.759 -5.980 -11.949 690 3HG1 VAL 13 3HG1 VAL 13 -2.913 -6.447 -13.643 691 1HG2 VAL 13 1HG2 VAL 13 -2.921 -3.067 -15.025 692 2HG2 VAL 13 2HG2 VAL 13 -4.411 -3.938 -14.666 693 3HG2 VAL 13 3HG2 VAL 13 -3.047 -4.786 -15.396 694 H PHE 14 H PHE 14 -3.609 -4.701 -10.152 695 HA PHE 14 HA PHE 14 -0.942 -4.047 -9.119 696 1HB PHE 14 2HB PHE 14 -3.249 -5.528 -7.830 697 2HB PHE 14 1HB PHE 14 -1.698 -5.246 -7.069 698 HD1 PHE 14 HD1 PHE 14 -4.945 -3.911 -7.790 699 HD2 PHE 14 HD2 PHE 14 -1.004 -2.889 -6.555 700 HE1 PHE 14 HE1 PHE 14 -5.784 -1.783 -6.883 701 HE2 PHE 14 HE2 PHE 14 -1.836 -0.759 -5.651 702 HZ PHE 14 HZ PHE 14 -4.225 -0.205 -5.812 703 H LYS 15 H LYS 15 0.650 -5.354 -9.723 704 HA LYS 15 HA LYS 15 0.034 -8.181 -10.241 705 1HB LYS 15 2HB LYS 15 2.081 -6.365 -11.490 706 2HB LYS 15 1HB LYS 15 2.050 -8.100 -11.717 707 1HG LYS 15 2HG LYS 15 -0.228 -7.877 -12.668 708 2HG LYS 15 1HG LYS 15 -0.047 -6.125 -12.553 709 1HD LYS 15 2HD LYS 15 1.727 -7.989 -14.124 710 2HD LYS 15 1HD LYS 15 0.493 -6.925 -14.803 711 1HE LYS 15 2HE LYS 15 1.701 -4.979 -14.098 712 2HE LYS 15 1HE LYS 15 2.847 -5.963 -13.190 713 1HZ LYS 15 1HZ LYS 15 2.505 -5.986 -16.138 714 2HZ LYS 15 2HZ LYS 15 3.608 -6.931 -15.264 715 3HZ LYS 15 3HZ LYS 15 3.775 -5.240 -15.292 716 HA PRO 16 HA PRO 16 2.691 -8.705 -6.651 717 1HB PRO 16 2HB PRO 16 2.849 -11.433 -6.915 718 2HB PRO 16 1HB PRO 16 1.586 -10.575 -6.035 719 1HG PRO 16 2HG PRO 16 1.535 -11.751 -8.770 720 2HG PRO 16 1HG PRO 16 0.246 -11.668 -7.556 721 1HD PRO 16 2HD PRO 16 0.324 -10.024 -9.696 722 2HD PRO 16 1HD PRO 16 -0.324 -9.510 -8.126 723 H LEU 17 H LEU 17 4.607 -9.382 -6.198 724 HA LEU 17 HA LEU 17 6.490 -10.135 -8.241 725 1HB LEU 17 2HB LEU 17 6.741 -9.570 -5.286 726 2HB LEU 17 1HB LEU 17 8.061 -10.239 -6.225 727 HG LEU 17 HG LEU 17 7.795 -8.163 -7.721 728 1HD1 LEU 17 1HD1 LEU 17 6.327 -7.195 -5.292 729 2HD1 LEU 17 2HD1 LEU 17 5.673 -7.372 -6.922 730 3HD1 LEU 17 3HD1 LEU 17 6.929 -6.174 -6.598 731 1HD2 LEU 17 1HD2 LEU 17 8.807 -7.904 -4.900 732 2HD2 LEU 17 2HD2 LEU 17 9.227 -6.834 -6.237 733 3HD2 LEU 17 3HD2 LEU 17 9.707 -8.531 -6.281 734 H GLN 18 H GLN 18 5.334 -11.219 -5.149 735 HA GLN 18 HA GLN 18 6.507 -13.829 -5.280 736 1HB GLN 18 2HB GLN 18 4.262 -12.731 -3.607 737 2HB GLN 18 1HB GLN 18 4.794 -14.394 -3.477 738 1HG GLN 18 2HG GLN 18 5.951 -13.459 -1.770 739 2HG GLN 18 1HG GLN 18 7.128 -13.281 -3.066 740 1HE2 GLN 18 1HE2 GLN 18 6.418 -11.787 -0.522 741 2HE2 GLN 18 2HE2 GLN 18 6.421 -10.125 -1.008 742 H LYS 19 H LYS 19 5.404 -15.878 -5.431 743 HA LYS 19 HA LYS 19 3.466 -15.973 -7.523 744 1HB LYS 19 2HB LYS 19 5.315 -17.608 -7.123 745 2HB LYS 19 1HB LYS 19 4.413 -18.216 -5.753 746 1HG LYS 19 2HG LYS 19 3.175 -18.128 -8.463 747 2HG LYS 19 1HG LYS 19 4.297 -19.412 -8.028 748 1HD LYS 19 2HD LYS 19 2.877 -20.014 -6.126 749 2HD LYS 19 1HD LYS 19 1.753 -18.724 -6.559 750 1HE LYS 19 2HE LYS 19 1.292 -19.808 -8.685 751 2HE LYS 19 1HE LYS 19 2.468 -21.069 -8.321 752 1HZ LYS 19 1HZ LYS 19 1.084 -21.702 -6.401 753 2HZ LYS 19 2HZ LYS 19 0.265 -21.867 -7.876 754 3HZ LYS 19 3HZ LYS 19 -0.069 -20.550 -6.866 755 H VAL 20 H VAL 20 1.369 -16.073 -7.374 756 HA VAL 20 HA VAL 20 0.115 -16.607 -4.762 757 HB VAL 20 HB VAL 20 -1.018 -14.654 -6.776 758 1HG1 VAL 20 1HG1 VAL 20 -1.569 -15.112 -3.851 759 2HG1 VAL 20 2HG1 VAL 20 -2.617 -15.559 -5.196 760 3HG1 VAL 20 3HG1 VAL 20 -2.309 -13.860 -4.846 761 1HG2 VAL 20 1HG2 VAL 20 -0.169 -12.837 -5.350 762 2HG2 VAL 20 2HG2 VAL 20 1.140 -13.775 -6.072 763 3HG2 VAL 20 3HG2 VAL 20 0.706 -14.022 -4.381 764 H ASP 21 H ASP 21 -1.986 -17.551 -4.875 765 HA ASP 21 HA ASP 21 -2.387 -19.102 -7.342 766 1HB ASP 21 2HB ASP 21 -1.134 -20.275 -5.502 767 2HB ASP 21 1HB ASP 21 -2.597 -20.190 -4.543 768 H LEU 22 H LEU 22 -3.714 -16.800 -5.817 769 HA LEU 22 HA LEU 22 -6.276 -17.731 -5.006 770 1HB LEU 22 2HB LEU 22 -5.314 -14.971 -5.747 771 2HB LEU 22 1HB LEU 22 -6.865 -15.326 -5.027 772 HG LEU 22 HG LEU 22 -4.186 -15.813 -3.730 773 1HD1 LEU 22 1HD1 LEU 22 -4.724 -13.450 -3.874 774 2HD1 LEU 22 2HD1 LEU 22 -4.861 -14.017 -2.209 775 3HD1 LEU 22 3HD1 LEU 22 -6.313 -13.751 -3.175 776 1HD2 LEU 22 1HD2 LEU 22 -5.492 -16.336 -1.725 777 2HD2 LEU 22 2HD2 LEU 22 -5.833 -17.464 -3.037 778 3HD2 LEU 22 3HD2 LEU 22 -6.982 -16.181 -2.660 779 H LYS 23 H LYS 23 -8.318 -16.889 -6.080 780 HA LYS 23 HA LYS 23 -8.045 -17.264 -8.977 781 1HB LYS 23 2HB LYS 23 -9.822 -18.584 -7.006 782 2HB LYS 23 1HB LYS 23 -10.527 -18.190 -8.564 783 1HG LYS 23 2HG LYS 23 -9.682 -20.485 -8.473 784 2HG LYS 23 1HG LYS 23 -8.855 -19.526 -9.698 785 1HD LYS 23 2HD LYS 23 -6.944 -19.251 -8.251 786 2HD LYS 23 1HD LYS 23 -7.787 -20.054 -6.930 787 1HE LYS 23 2HE LYS 23 -7.751 -22.144 -8.059 788 2HE LYS 23 1HE LYS 23 -7.212 -21.395 -9.561 789 1HZ LYS 23 1HZ LYS 23 -5.078 -21.097 -8.749 790 2HZ LYS 23 2HZ LYS 23 -5.496 -22.613 -8.104 791 3HZ LYS 23 3HZ LYS 23 -5.544 -21.233 -7.123 792 H GLU 24 H GLU 24 -10.565 -16.806 -9.855 793 HA GLU 24 HA GLU 24 -10.576 -14.004 -9.960 794 1HB GLU 24 2HB GLU 24 -12.559 -16.091 -10.853 795 2HB GLU 24 1HB GLU 24 -12.828 -14.381 -11.097 796 1HG GLU 24 2HG GLU 24 -11.957 -15.312 -13.110 797 2HG GLU 24 1HG GLU 24 -10.727 -14.272 -12.393 798 H GLY 25 H GLY 25 -11.924 -12.507 -9.235 799 1HA GLY 25 2HA GLY 25 -12.744 -11.390 -7.422 800 2HA GLY 25 1HA GLY 25 -14.020 -12.597 -7.497 801 H GLU 26 H GLU 26 -10.628 -12.535 -6.587 802 HA GLU 26 HA GLU 26 -11.378 -13.708 -4.010 803 1HB GLU 26 2HB GLU 26 -8.897 -13.670 -5.628 804 2HB GLU 26 1HB GLU 26 -8.685 -13.597 -3.880 805 1HG GLU 26 2HG GLU 26 -10.119 -15.714 -5.451 806 2HG GLU 26 1HG GLU 26 -8.589 -15.854 -4.607 807 H ARG 27 H ARG 27 -11.127 -12.692 -2.125 808 HA ARG 27 HA ARG 27 -11.150 -9.793 -2.324 809 1HB ARG 27 2HB ARG 27 -11.661 -11.649 -0.027 810 2HB ARG 27 1HB ARG 27 -11.723 -9.913 0.113 811 1HG ARG 27 2HG ARG 27 -13.456 -11.489 -1.769 812 2HG ARG 27 1HG ARG 27 -13.937 -11.005 -0.139 813 1HD ARG 27 2HD ARG 27 -13.251 -9.215 -2.465 814 2HD ARG 27 1HD ARG 27 -14.815 -9.395 -1.673 815 HE ARG 27 HE ARG 27 -12.450 -8.113 -0.468 816 1HH1 ARG 27 1HH1 ARG 27 -15.932 -8.530 -0.669 817 2HH1 ARG 27 2HH1 ARG 27 -16.263 -7.230 0.447 818 1HH2 ARG 27 1HH2 ARG 27 -12.894 -6.399 0.966 819 2HH2 ARG 27 2HH2 ARG 27 -14.550 -6.014 1.341 820 H VAL 28 H VAL 28 -9.439 -8.644 -2.092 821 HA VAL 28 HA VAL 28 -7.368 -9.398 -0.174 822 HB VAL 28 HB VAL 28 -5.579 -8.883 -1.823 823 1HG1 VAL 28 1HG1 VAL 28 -6.070 -11.184 -1.402 824 2HG1 VAL 28 2HG1 VAL 28 -5.815 -10.996 -3.137 825 3HG1 VAL 28 3HG1 VAL 28 -7.448 -11.144 -2.497 826 1HG2 VAL 28 1HG2 VAL 28 -6.869 -7.499 -3.348 827 2HG2 VAL 28 2HG2 VAL 28 -7.848 -8.891 -3.809 828 3HG2 VAL 28 3HG2 VAL 28 -6.132 -8.848 -4.215 829 H LYS 29 H LYS 29 -6.060 -7.650 0.529 830 HA LYS 29 HA LYS 29 -7.177 -5.015 -0.111 831 1HB LYS 29 2HB LYS 29 -5.871 -5.972 2.436 832 2HB LYS 29 1HB LYS 29 -6.425 -4.340 2.124 833 1HG LYS 29 2HG LYS 29 -8.722 -5.175 1.891 834 2HG LYS 29 1HG LYS 29 -8.143 -6.798 2.273 835 1HD LYS 29 2HD LYS 29 -7.183 -5.736 4.397 836 2HD LYS 29 1HD LYS 29 -8.240 -4.374 4.033 837 1HE LYS 29 2HE LYS 29 -9.175 -7.226 4.333 838 2HE LYS 29 1HE LYS 29 -9.232 -6.020 5.616 839 1HZ LYS 29 1HZ LYS 29 -11.343 -6.341 4.362 840 2HZ LYS 29 2HZ LYS 29 -10.591 -5.669 2.996 841 3HZ LYS 29 3HZ LYS 29 -10.786 -4.739 4.405 842 H ILE 30 H ILE 30 -5.793 -3.365 -0.489 843 HA ILE 30 HA ILE 30 -2.944 -4.070 -0.871 844 HB ILE 30 HB ILE 30 -4.093 -1.847 -2.463 845 1HG1 ILE 30 2HG1 ILE 30 -5.780 -3.639 -2.774 846 2HG1 ILE 30 1HG1 ILE 30 -4.903 -3.248 -4.250 847 1HG2 ILE 30 1HG2 ILE 30 -1.738 -2.384 -2.538 848 2HG2 ILE 30 2HG2 ILE 30 -2.490 -2.657 -4.111 849 3HG2 ILE 30 3HG2 ILE 30 -2.116 -4.026 -3.064 850 1HD1 ILE 30 1HD1 ILE 30 -5.250 -5.652 -4.009 851 2HD1 ILE 30 2HD1 ILE 30 -4.393 -5.632 -2.469 852 3HD1 ILE 30 3HD1 ILE 30 -3.533 -5.255 -3.961 853 H LYS 31 H LYS 31 -1.490 -2.643 -0.172 854 HA LYS 31 HA LYS 31 -2.216 0.078 0.430 855 1HB LYS 31 2HB LYS 31 -2.821 -1.062 2.502 856 2HB LYS 31 1HB LYS 31 -1.238 -1.817 2.569 857 1HG LYS 31 2HG LYS 31 -0.182 0.313 2.948 858 2HG LYS 31 1HG LYS 31 -1.727 1.148 2.738 859 1HD LYS 31 2HD LYS 31 -2.630 0.014 4.669 860 2HD LYS 31 1HD LYS 31 -1.145 -0.916 4.843 861 1HE LYS 31 2HE LYS 31 -1.260 2.089 5.013 862 2HE LYS 31 1HE LYS 31 -1.358 1.025 6.416 863 1HZ LYS 31 1HZ LYS 31 0.911 1.280 4.528 864 2HZ LYS 31 2HZ LYS 31 0.809 0.084 5.725 865 3HZ LYS 31 3HZ LYS 31 0.888 1.726 6.164 866 H LEU 32 H LEU 32 -0.561 1.309 -0.234 867 HA LEU 32 HA LEU 32 1.924 0.208 -1.042 868 1HB LEU 32 2HB LEU 32 1.464 3.099 -0.331 869 2HB LEU 32 1HB LEU 32 2.598 2.433 -1.490 870 HG LEU 32 HG LEU 32 0.107 1.595 -2.403 871 1HD1 LEU 32 1HD1 LEU 32 -0.998 3.156 -0.917 872 2HD1 LEU 32 2HD1 LEU 32 -1.176 3.667 -2.596 873 3HD1 LEU 32 3HD1 LEU 32 -0.015 4.479 -1.546 874 1HD2 LEU 32 1HD2 LEU 32 0.553 3.108 -4.258 875 2HD2 LEU 32 2HD2 LEU 32 2.008 2.236 -3.776 876 3HD2 LEU 32 3HD2 LEU 32 1.793 3.922 -3.304 877 H GLU 33 H GLU 33 3.556 -0.428 0.300 878 HA GLU 33 HA GLU 33 3.605 0.604 2.997 879 1HB GLU 33 2HB GLU 33 1.628 -0.782 3.008 880 2HB GLU 33 1HB GLU 33 2.543 -2.140 2.385 881 1HG GLU 33 2HG GLU 33 3.631 -2.489 4.386 882 2HG GLU 33 1HG GLU 33 3.272 -0.862 4.962 883 H LEU 34 H LEU 34 5.293 0.058 4.146 884 HA LEU 34 HA LEU 34 6.967 -2.178 3.620 885 1HB LEU 34 2HB LEU 34 9.027 -0.809 3.426 886 2HB LEU 34 1HB LEU 34 7.980 -0.703 2.029 887 HG LEU 34 HG LEU 34 7.096 1.410 3.389 888 1HD1 LEU 34 1HD1 LEU 34 8.623 1.135 5.257 889 2HD1 LEU 34 2HD1 LEU 34 8.969 2.625 4.380 890 3HD1 LEU 34 3HD1 LEU 34 10.001 1.212 4.160 891 1HD2 LEU 34 1HD2 LEU 34 7.849 1.445 1.088 892 2HD2 LEU 34 2HD2 LEU 34 9.531 1.356 1.615 893 3HD2 LEU 34 3HD2 LEU 34 8.567 2.787 1.980 894 H LYS 35 H LYS 35 8.769 -2.181 5.339 895 HA LYS 35 HA LYS 35 8.008 -0.489 7.619 896 1HB LYS 35 2HB LYS 35 7.434 -2.806 8.121 897 2HB LYS 35 1HB LYS 35 9.080 -3.310 7.774 898 1HG LYS 35 2HG LYS 35 9.919 -2.207 9.690 899 2HG LYS 35 1HG LYS 35 8.419 -1.311 9.917 900 1HD LYS 35 2HD LYS 35 8.712 -4.299 10.207 901 2HD LYS 35 1HD LYS 35 8.695 -3.148 11.544 902 1HE LYS 35 2HE LYS 35 6.432 -2.393 10.611 903 2HE LYS 35 1HE LYS 35 6.470 -3.878 9.663 904 1HZ LYS 35 1HZ LYS 35 5.273 -4.287 11.668 905 2HZ LYS 35 2HZ LYS 35 6.519 -3.646 12.620 906 3HZ LYS 35 3HZ LYS 35 6.756 -5.102 11.782 907 H VAL 36 H VAL 36 9.703 0.226 8.919 908 HA VAL 36 HA VAL 36 12.032 0.792 7.251 909 HB VAL 36 HB VAL 36 11.283 2.181 9.811 910 1HG1 VAL 36 1HG1 VAL 36 12.979 3.027 7.475 911 2HG1 VAL 36 2HG1 VAL 36 13.558 2.562 9.074 912 3HG1 VAL 36 3HG1 VAL 36 12.596 4.027 8.877 913 1HG2 VAL 36 1HG2 VAL 36 9.383 2.329 8.289 914 2HG2 VAL 36 2HG2 VAL 36 10.446 2.911 7.007 915 3HG2 VAL 36 3HG2 VAL 36 10.184 3.894 8.446 916 H GLU 37 H GLU 37 14.070 0.337 7.826 917 HA GLU 37 HA GLU 37 14.497 -1.261 10.226 918 1HB GLU 37 2HB GLU 37 16.145 -0.792 7.741 919 2HB GLU 37 1HB GLU 37 16.675 -1.752 9.101 920 1HG GLU 37 2HG GLU 37 14.748 -3.250 8.755 921 2HG GLU 37 1HG GLU 37 14.335 -2.316 7.316 922 HA PRO 38 HA PRO 38 16.993 1.860 12.266 923 1HB PRO 38 2HB PRO 38 19.399 0.125 12.072 924 2HB PRO 38 1HB PRO 38 18.658 0.865 13.495 925 1HG PRO 38 2HG PRO 38 18.411 -1.748 13.015 926 2HG PRO 38 1HG PRO 38 17.071 -0.807 13.701 927 1HD PRO 38 2HD PRO 38 17.459 -1.804 10.911 928 2HD PRO 38 1HD PRO 38 15.976 -1.668 11.872 929 H ILE 39 H ILE 39 19.090 3.089 12.021 930 HA ILE 39 HA ILE 39 19.489 3.545 9.160 931 HB ILE 39 HB ILE 39 20.133 5.857 9.880 932 1HG1 ILE 39 2HG1 ILE 39 18.946 4.971 12.513 933 2HG1 ILE 39 1HG1 ILE 39 20.645 5.345 12.231 934 1HG2 ILE 39 1HG2 ILE 39 17.807 6.599 10.202 935 2HG2 ILE 39 2HG2 ILE 39 17.337 4.926 10.503 936 3HG2 ILE 39 3HG2 ILE 39 17.959 5.397 8.922 937 1HD1 ILE 39 1HD1 ILE 39 20.067 7.656 11.755 938 2HD1 ILE 39 2HD1 ILE 39 19.473 7.173 13.343 939 3HD1 ILE 39 3HD1 ILE 39 18.357 7.289 11.981 940 H ASP 40 H ASP 40 21.573 4.874 8.803 941 HA ASP 40 HA ASP 40 23.793 3.475 10.144 942 1HB ASP 40 2HB ASP 40 23.706 2.822 7.835 943 2HB ASP 40 1HB ASP 40 23.514 4.491 7.310 944 H LEU 41 H LEU 41 25.640 4.670 10.678 945 HA LEU 41 HA LEU 41 25.214 7.581 10.737 946 1HB LEU 41 2HB LEU 41 26.481 7.698 12.777 947 2HB LEU 41 1HB LEU 41 25.183 6.542 12.977 948 HG LEU 41 HG LEU 41 28.005 5.693 12.350 949 1HD1 LEU 41 1HD1 LEU 41 28.291 5.278 14.735 950 2HD1 LEU 41 2HD1 LEU 41 26.716 6.000 15.056 951 3HD1 LEU 41 3HD1 LEU 41 28.024 6.993 14.417 952 1HD2 LEU 41 1HD2 LEU 41 25.674 4.240 13.597 953 2HD2 LEU 41 2HD2 LEU 41 27.276 3.567 13.295 954 3HD2 LEU 41 3HD2 LEU 41 26.244 4.036 11.942 955 H GLY 42 H GLY 42 26.957 8.920 10.277 956 1HA GLY 42 2HA GLY 42 28.997 7.625 8.637 957 2HA GLY 42 1HA GLY 42 28.422 9.274 8.438 958 H GLU 43 H GLU 43 30.903 7.517 9.387 959 HA GLU 43 HA GLU 43 31.927 8.610 11.721 960 1HB GLU 43 2HB GLU 43 34.167 8.037 10.722 961 2HB GLU 43 1HB GLU 43 33.005 6.721 10.736 962 1HG GLU 43 2HG GLU 43 32.561 7.005 8.407 963 2HG GLU 43 1HG GLU 43 33.538 8.470 8.351 964 HA PRO 44 HA PRO 44 32.805 12.811 10.586 965 1HB PRO 44 2HB PRO 44 34.704 12.958 12.778 966 2HB PRO 44 1HB PRO 44 33.101 13.680 12.654 967 1HG PRO 44 2HG PRO 44 33.693 11.654 14.370 968 2HG PRO 44 1HG PRO 44 32.078 11.910 13.685 969 1HD PRO 44 2HD PRO 44 34.202 9.964 12.865 970 2HD PRO 44 1HD PRO 44 32.445 9.730 12.993 971 H VAL 45 H VAL 45 35.028 14.233 10.808 972 HA VAL 45 HA VAL 45 36.771 13.073 8.814 973 HB VAL 45 HB VAL 45 37.143 15.753 10.137 974 1HG1 VAL 45 1HG1 VAL 45 37.841 14.728 7.392 975 2HG1 VAL 45 2HG1 VAL 45 38.963 15.034 8.718 976 3HG1 VAL 45 3HG1 VAL 45 38.102 16.375 7.968 977 1HG2 VAL 45 1HG2 VAL 45 34.814 15.633 9.424 978 2HG2 VAL 45 2HG2 VAL 45 35.324 15.137 7.808 979 3HG2 VAL 45 3HG2 VAL 45 35.729 16.745 8.410 980 H SER 46 H SER 46 39.090 13.017 9.046 981 HA SER 46 HA SER 46 39.896 12.025 11.636 982 1HB SER 46 2HB SER 46 41.540 12.337 9.110 983 2HB SER 46 1HB SER 46 41.917 11.338 10.504 984 HG SER 46 HG SER 46 39.758 10.997 8.695 985 H VAL 47 H VAL 47 42.157 12.682 12.386 986 HA VAL 47 HA VAL 47 42.238 15.456 12.968 987 HB VAL 47 HB VAL 47 44.459 13.427 13.303 988 1HG1 VAL 47 1HG1 VAL 47 45.221 14.895 15.115 989 2HG1 VAL 47 2HG1 VAL 47 43.940 16.041 14.719 990 3HG1 VAL 47 3HG1 VAL 47 45.229 15.722 13.556 991 1HG2 VAL 47 1HG2 VAL 47 42.232 14.159 15.194 992 2HG2 VAL 47 2HG2 VAL 47 43.614 13.138 15.588 993 3HG2 VAL 47 3HG2 VAL 47 42.449 12.614 14.373 994 H GLU 48 H GLU 48 43.755 17.010 12.275 995 HA GLU 48 HA GLU 48 44.186 17.213 9.570 996 1HB GLU 48 2HB GLU 48 45.925 18.463 11.677 997 2HB GLU 48 1HB GLU 48 45.737 19.016 10.027 998 1HG GLU 48 2HG GLU 48 43.423 19.580 10.448 999 2HG GLU 48 1HG GLU 48 43.559 18.974 12.100 1000 H GLU 49 H GLU 49 45.363 16.111 8.256 1001 HA GLU 49 HA GLU 49 47.755 14.702 9.068 1002 1HB GLU 49 2HB GLU 49 46.219 13.625 7.533 1003 2HB GLU 49 1HB GLU 49 46.338 14.973 6.414 1004 1HG GLU 49 2HG GLU 49 48.701 14.423 6.036 1005 2HG GLU 49 1HG GLU 49 48.536 13.043 7.125 1006 H ILE 50 H ILE 50 46.873 17.658 7.612 1007 HA ILE 50 HA ILE 50 49.406 18.074 6.286 1008 HB ILE 50 HB ILE 50 48.425 20.223 5.550 1009 1HG1 ILE 50 2HG1 ILE 50 45.936 19.237 6.974 1010 2HG1 ILE 50 1HG1 ILE 50 46.947 20.575 7.516 1011 1HG2 ILE 50 1HG2 ILE 50 48.193 18.249 4.166 1012 2HG2 ILE 50 2HG2 ILE 50 46.733 19.233 4.067 1013 3HG2 ILE 50 3HG2 ILE 50 46.743 17.771 5.052 1014 1HD1 ILE 50 1HD1 ILE 50 45.381 20.456 4.944 1015 2HD1 ILE 50 2HD1 ILE 50 46.398 21.797 5.470 1016 3HD1 ILE 50 3HD1 ILE 50 44.953 21.376 6.387 1017 H LYS 51 H LYS 51 48.462 18.407 9.396 1018 HA LYS 51 HA LYS 51 49.819 20.910 9.930 1019 1HB LYS 51 2HB LYS 51 47.934 20.283 11.364 1020 2HB LYS 51 1HB LYS 51 48.757 18.799 11.827 1021 1HG LYS 51 2HG LYS 51 50.452 20.032 12.988 1022 2HG LYS 51 1HG LYS 51 49.810 21.564 12.394 1023 1HD LYS 51 2HD LYS 51 47.843 19.923 13.806 1024 2HD LYS 51 1HD LYS 51 49.212 20.410 14.806 1025 1HE LYS 51 2HE LYS 51 47.488 22.070 15.009 1026 2HE LYS 51 1HE LYS 51 48.830 22.757 14.101 1027 1HZ LYS 51 1HZ LYS 51 46.724 23.344 13.105 1028 2HZ LYS 51 2HZ LYS 51 46.295 21.714 12.951 1029 3HZ LYS 51 3HZ LYS 51 47.591 22.338 12.051 1030 H LYS 52 H LYS 52 51.903 21.118 10.653 1031 HA LYS 52 HA LYS 52 53.510 18.690 10.271 1032 1HB LYS 52 2HB LYS 52 53.691 20.890 8.820 1033 2HB LYS 52 1HB LYS 52 54.684 21.438 10.161 1034 1HG LYS 52 2HG LYS 52 56.104 20.531 8.457 1035 2HG LYS 52 1HG LYS 52 56.124 19.444 9.848 1036 1HD LYS 52 2HD LYS 52 54.699 17.886 8.765 1037 2HD LYS 52 1HD LYS 52 54.296 19.037 7.493 1038 1HE LYS 52 2HE LYS 52 56.993 17.774 7.960 1039 2HE LYS 52 1HE LYS 52 55.854 17.346 6.684 1040 1HZ LYS 52 1HZ LYS 52 56.055 19.799 6.021 1041 2HZ LYS 52 2HZ LYS 52 57.344 18.768 5.643 1042 3HZ LYS 52 3HZ LYS 52 57.459 19.813 6.973 1043 H ILE 53 H ILE 53 55.233 18.230 11.666 1044 HA ILE 53 HA ILE 53 55.011 19.018 14.350 1045 HB ILE 53 HB ILE 53 55.796 16.802 13.672 1046 1HG1 ILE 53 2HG1 ILE 53 57.947 18.393 15.034 1047 2HG1 ILE 53 1HG1 ILE 53 56.494 17.773 15.800 1048 1HG2 ILE 53 1HG2 ILE 53 56.941 17.340 11.623 1049 2HG2 ILE 53 2HG2 ILE 53 58.060 16.519 12.710 1050 3HG2 ILE 53 3HG2 ILE 53 58.157 18.268 12.497 1051 1HD1 ILE 53 1HD1 ILE 53 58.684 16.116 14.569 1052 2HD1 ILE 53 2HD1 ILE 53 57.224 15.490 15.339 1053 3HD1 ILE 53 3HD1 ILE 53 58.419 16.369 16.294 1054 H ARG 54 H ARG 54 56.390 20.363 15.546 1055 HA ARG 54 HA ARG 54 57.926 22.266 13.913 1056 1HB ARG 54 2HB ARG 54 56.596 22.531 16.601 1057 2HB ARG 54 1HB ARG 54 57.749 23.716 16.000 1058 1HG ARG 54 2HG ARG 54 56.354 24.206 14.110 1059 2HG ARG 54 1HG ARG 54 55.241 22.911 14.547 1060 1HD ARG 54 2HD ARG 54 55.827 25.288 16.297 1061 2HD ARG 54 1HD ARG 54 54.485 25.216 15.158 1062 HE ARG 54 HE ARG 54 54.163 22.986 16.676 1063 1HH1 ARG 54 1HH1 ARG 54 54.514 26.401 17.391 1064 2HH1 ARG 54 2HH1 ARG 54 53.528 26.325 18.827 1065 1HH2 ARG 54 1HH2 ARG 54 52.905 22.886 18.590 1066 2HH2 ARG 54 2HH2 ARG 54 52.642 24.338 19.512 1067 H ASP 55 H ASP 55 59.676 23.382 15.499 1068 HA ASP 55 HA ASP 55 61.775 23.186 16.317 1069 1HB ASP 55 2HB ASP 55 60.983 22.009 18.250 1070 2HB ASP 55 1HB ASP 55 60.775 20.525 17.330 1071 H GLY 56 H GLY 56 63.812 22.293 15.770 1072 1HA GLY 56 2HA GLY 56 64.159 20.030 14.130 1073 2HA GLY 56 1HA GLY 56 64.047 21.463 13.115 1074 H THR 57 H THR 57 66.244 19.475 14.208 1075 HA THR 57 HA THR 57 68.157 20.994 15.568 1076 HB THR 57 HB THR 57 68.948 18.923 13.545 1077 HG1 THR 57 HG1 THR 57 68.305 17.324 15.070 1078 1HG2 THR 57 1HG2 THR 57 69.839 19.537 16.367 1079 2HG2 THR 57 2HG2 THR 57 70.693 19.984 14.891 1080 3HG2 THR 57 3HG2 THR 57 70.519 18.285 15.327 1081 H TRP 58 H TRP 58 69.664 22.451 14.913 1082 HA TRP 58 HA TRP 58 69.894 22.989 12.033 1083 1HB TRP 58 2HB TRP 58 68.438 24.688 12.998 1084 2HB TRP 58 1HB TRP 58 69.607 25.016 14.268 1085 HD1 TRP 58 HD1 TRP 58 70.715 27.256 13.843 1086 HE1 TRP 58 HE1 TRP 58 71.578 28.545 11.790 1087 HE3 TRP 58 HE3 TRP 58 69.411 23.930 10.185 1088 HZ2 TRP 58 HZ2 TRP 58 71.700 28.195 8.995 1089 HZ3 TRP 58 HZ3 TRP 58 69.941 24.484 7.848 1090 HH2 TRP 58 HH2 TRP 58 71.061 26.574 7.269 1091 H MET 59 H MET 59 71.920 23.194 11.309 1092 HA MET 59 HA MET 59 74.071 23.331 13.316 1093 1HB MET 59 2HB MET 59 73.619 21.390 11.388 1094 2HB MET 59 1HB MET 59 74.876 22.390 10.679 1095 1HG MET 59 2HG MET 59 75.861 20.568 11.902 1096 2HG MET 59 1HG MET 59 76.228 22.096 12.707 1097 1HE MET 59 1HE MET 59 75.944 19.732 15.783 1098 2HE MET 59 2HE MET 59 76.897 20.978 14.975 1099 3HE MET 59 3HE MET 59 76.684 19.401 14.215 1100 H SER 60 H SER 60 75.385 25.022 13.239 1101 HA SER 60 HA SER 60 74.945 26.997 11.155 1102 1HB SER 60 2HB SER 60 76.723 27.185 13.596 1103 2HB SER 60 1HB SER 60 76.129 28.521 12.607 1104 HG SER 60 HG SER 60 74.017 27.150 13.386 1105 H SER 61 H SER 61 76.951 28.177 10.363 1106 HA SER 61 HA SER 61 78.669 26.223 9.121 1107 1HB SER 61 2HB SER 61 77.680 28.121 7.859 1108 2HB SER 61 1HB SER 61 78.632 29.237 8.835 1109 HG SER 61 HG SER 61 80.417 27.643 7.980 1110 H LEU 62 H LEU 62 78.889 26.957 12.053 1111 HA LEU 62 HA LEU 62 80.445 27.148 13.653 1112 1HB LEU 62 2HB LEU 62 82.409 26.689 11.407 1113 2HB LEU 62 1HB LEU 62 82.719 26.527 13.118 1114 HG LEU 62 HG LEU 62 80.796 24.802 11.569 1115 1HD1 LEU 62 1HD1 LEU 62 83.123 24.432 10.900 1116 2HD1 LEU 62 2HD1 LEU 62 82.460 23.052 11.775 1117 3HD1 LEU 62 3HD1 LEU 62 83.559 24.167 12.587 1118 1HD2 LEU 62 1HD2 LEU 62 80.794 23.414 13.582 1119 2HD2 LEU 62 2HD2 LEU 62 80.193 25.040 13.916 1120 3HD2 LEU 62 3HD2 LEU 62 81.830 24.589 14.393 1121 H GLU 63 H GLU 63 82.968 28.252 13.711 1122 HA GLU 63 HA GLU 63 82.521 31.002 12.777 1123 1HB GLU 63 2HB GLU 63 82.184 30.872 15.203 1124 2HB GLU 63 1HB GLU 63 83.769 30.133 15.394 1125 1HG GLU 63 2HG GLU 63 84.831 32.162 14.582 1126 2HG GLU 63 1HG GLU 63 83.251 32.902 14.325 1127 H HIS 64 H HIS 64 84.153 31.927 11.695 1128 HA HIS 64 HA HIS 64 86.629 30.402 11.430 1129 1HB HIS 64 2HB HIS 64 87.167 32.155 9.645 1130 2HB HIS 64 1HB HIS 64 85.868 31.023 9.294 1131 HD1 HIS 64 HD1 HIS 64 86.369 34.639 10.365 1132 HD2 HIS 64 HD2 HIS 64 83.479 32.175 8.673 1133 HE1 HIS 64 HE1 HIS 64 84.527 36.172 9.612 1134 HE2 HIS 64 HE2 HIS 64 82.694 34.632 8.824 1135 H HIS 65 H HIS 65 88.303 30.842 12.626 1136 HA HIS 65 HA HIS 65 88.428 32.915 14.488 1137 1HB HIS 65 2HB HIS 65 90.720 32.273 14.876 1138 2HB HIS 65 1HB HIS 65 89.774 30.822 14.589 1139 HD1 HIS 65 HD1 HIS 65 92.880 32.329 13.704 1140 HD2 HIS 65 HD2 HIS 65 90.105 29.944 11.719 1141 HE1 HIS 65 HE1 HIS 65 94.120 31.312 11.764 1142 HE2 HIS 65 HE2 HIS 65 92.440 29.828 10.608 1143 H HIS 66 H HIS 66 89.328 34.920 14.527 1144 HA HIS 66 HA HIS 66 89.456 36.195 11.943 1145 1HB HIS 66 2HB HIS 66 89.450 38.294 13.115 1146 2HB HIS 66 1HB HIS 66 88.268 37.240 13.880 1147 HD1 HIS 66 HD1 HIS 66 90.469 39.702 14.843 1148 HD2 HIS 66 HD2 HIS 66 89.893 35.803 16.175 1149 HE1 HIS 66 HE1 HIS 66 91.419 39.631 17.164 1150 HE2 HIS 66 HE2 HIS 66 91.233 37.218 17.875 1151 H HIS 67 H HIS 67 91.172 37.092 10.949 1152 HA HIS 67 HA HIS 67 93.776 36.994 12.303 1153 1HB HIS 67 2HB HIS 67 93.601 35.067 10.740 1154 2HB HIS 67 1HB HIS 67 93.273 36.187 9.423 1155 HD1 HIS 67 HD1 HIS 67 95.239 37.005 8.161 1156 HD2 HIS 67 HD2 HIS 67 96.291 35.451 11.873 1157 HE1 HIS 67 HE1 HIS 67 97.755 37.006 8.211 1158 HE2 HIS 67 HE2 HIS 67 98.353 36.291 10.552 1159 H HIS 68 H HIS 68 94.590 38.964 12.389 1160 HA HIS 68 HA HIS 68 93.410 41.078 10.815 1161 1HB HIS 68 2HB HIS 68 94.430 40.994 13.330 1162 2HB HIS 68 1HB HIS 68 95.796 41.675 12.450 1163 HD1 HIS 68 HD1 HIS 68 95.599 44.102 11.673 1164 HD2 HIS 68 HD2 HIS 68 92.085 42.585 13.303 1165 HE1 HIS 68 HE1 HIS 68 94.078 46.082 11.979 1166 HE2 HIS 68 HE2 HIS 68 91.896 45.110 12.795 1167 H HIS 69 H HIS 69 94.128 41.747 8.916 1168 HA HIS 69 HA HIS 69 96.952 41.258 8.240 1169 1HB HIS 69 2HB HIS 69 95.348 40.056 6.785 1170 2HB HIS 69 1HB HIS 69 94.604 41.592 6.350 1171 HD1 HIS 69 HD1 HIS 69 95.197 41.505 3.879 1172 HD2 HIS 69 HD2 HIS 69 98.502 41.084 6.370 1173 HE1 HIS 69 HE1 HIS 69 97.209 41.690 2.380 1174 HE2 HIS 69 HE2 HIS 69 99.182 41.237 3.880 Start of MODEL 14 1 1H MET 1 1H MET 1 0.953 4.021 5.105 2 2H MET 1 2H MET 1 1.328 4.143 3.455 3 3H MET 1 3H MET 1 0.490 2.797 4.030 4 HA MET 1 HA MET 1 -0.531 5.580 4.012 5 1HB MET 1 2HB MET 1 -0.292 4.161 1.820 6 2HB MET 1 1HB MET 1 -1.659 3.267 2.464 7 1HG MET 1 2HG MET 1 -1.688 6.242 2.057 8 2HG MET 1 1HG MET 1 -2.193 5.088 0.823 9 1HE MET 1 1HE MET 1 -4.048 7.422 1.790 10 2HE MET 1 2HE MET 1 -5.587 6.585 1.978 11 3HE MET 1 3HE MET 1 -4.541 6.218 0.604 12 HA PRO 2 HA PRO 2 -2.846 4.253 7.515 13 1HB PRO 2 2HB PRO 2 -5.004 5.959 7.123 14 2HB PRO 2 1HB PRO 2 -3.511 6.358 7.976 15 1HG PRO 2 2HG PRO 2 -4.306 6.963 5.161 16 2HG PRO 2 1HG PRO 2 -3.400 7.960 6.315 17 1HD PRO 2 2HD PRO 2 -2.160 6.666 4.331 18 2HD PRO 2 1HD PRO 2 -1.416 6.816 5.939 19 H LYS 3 H LYS 3 -5.012 4.892 4.715 20 HA LYS 3 HA LYS 3 -6.782 2.836 5.795 21 1HB LYS 3 2HB LYS 3 -8.534 3.786 4.553 22 2HB LYS 3 1HB LYS 3 -7.613 5.155 5.160 23 1HG LYS 3 2HG LYS 3 -6.494 5.310 2.953 24 2HG LYS 3 1HG LYS 3 -7.555 4.022 2.373 25 1HD LYS 3 2HD LYS 3 -9.441 5.594 3.299 26 2HD LYS 3 1HD LYS 3 -8.206 6.840 3.098 27 1HE LYS 3 2HE LYS 3 -9.547 6.738 1.104 28 2HE LYS 3 1HE LYS 3 -7.934 6.125 0.744 29 1HZ LYS 3 1HZ LYS 3 -10.271 4.397 1.371 30 2HZ LYS 3 2HZ LYS 3 -8.749 3.890 0.835 31 3HZ LYS 3 3HZ LYS 3 -9.760 4.766 -0.204 32 H ILE 4 H ILE 4 -8.029 1.586 4.026 33 HA ILE 4 HA ILE 4 -6.012 0.267 2.397 34 HB ILE 4 HB ILE 4 -7.307 -1.728 2.611 35 1HG1 ILE 4 2HG1 ILE 4 -9.564 -0.649 2.683 36 2HG1 ILE 4 1HG1 ILE 4 -9.335 -1.942 3.831 37 1HG2 ILE 4 1HG2 ILE 4 -6.886 -0.388 5.267 38 2HG2 ILE 4 2HG2 ILE 4 -5.697 -1.302 4.340 39 3HG2 ILE 4 3HG2 ILE 4 -7.098 -2.123 5.021 40 1HD1 ILE 4 1HD1 ILE 4 -8.791 -0.049 5.504 41 2HD1 ILE 4 2HD1 ILE 4 -10.466 -0.384 5.072 42 3HD1 ILE 4 3HD1 ILE 4 -9.625 0.973 4.331 43 H ILE 5 H ILE 5 -6.353 -0.224 0.314 44 HA ILE 5 HA ILE 5 -8.896 0.556 -0.958 45 HB ILE 5 HB ILE 5 -6.265 -0.141 -2.294 46 1HG1 ILE 5 2HG1 ILE 5 -6.148 1.937 -0.914 47 2HG1 ILE 5 1HG1 ILE 5 -5.878 2.203 -2.634 48 1HG2 ILE 5 1HG2 ILE 5 -8.781 1.088 -3.402 49 2HG2 ILE 5 2HG2 ILE 5 -8.142 -0.516 -3.764 50 3HG2 ILE 5 3HG2 ILE 5 -7.265 0.924 -4.284 51 1HD1 ILE 5 1HD1 ILE 5 -8.218 2.950 -2.853 52 2HD1 ILE 5 2HD1 ILE 5 -7.279 3.947 -1.740 53 3HD1 ILE 5 3HD1 ILE 5 -8.414 2.752 -1.111 54 H GLU 6 H GLU 6 -9.516 -1.134 -2.754 55 HA GLU 6 HA GLU 6 -8.912 -3.826 -1.768 56 1HB GLU 6 2HB GLU 6 -11.561 -2.727 -2.709 57 2HB GLU 6 1HB GLU 6 -11.255 -4.409 -2.318 58 1HG GLU 6 2HG GLU 6 -10.678 -3.742 -0.016 59 2HG GLU 6 1HG GLU 6 -11.073 -2.079 -0.431 60 H ALA 7 H ALA 7 -9.160 -5.537 -3.383 61 HA ALA 7 HA ALA 7 -9.487 -4.845 -6.169 62 1HB ALA 7 1HB ALA 7 -7.306 -5.690 -6.873 63 2HB ALA 7 2HB ALA 7 -6.836 -5.923 -5.189 64 3HB ALA 7 3HB ALA 7 -7.119 -4.296 -5.809 65 H VAL 8 H VAL 8 -9.645 -6.725 -7.494 66 HA VAL 8 HA VAL 8 -9.907 -9.263 -6.052 67 HB VAL 8 HB VAL 8 -11.361 -9.920 -8.045 68 1HG1 VAL 8 1HG1 VAL 8 -12.369 -7.810 -6.147 69 2HG1 VAL 8 2HG1 VAL 8 -12.252 -9.537 -5.809 70 3HG1 VAL 8 3HG1 VAL 8 -13.370 -8.954 -7.041 71 1HG2 VAL 8 1HG2 VAL 8 -10.818 -8.100 -9.542 72 2HG2 VAL 8 2HG2 VAL 8 -11.436 -6.928 -8.380 73 3HG2 VAL 8 3HG2 VAL 8 -12.540 -8.061 -9.161 74 H TYR 9 H TYR 9 -8.377 -10.637 -6.458 75 HA TYR 9 HA TYR 9 -6.538 -10.320 -8.709 76 1HB TYR 9 2HB TYR 9 -5.566 -10.839 -6.582 77 2HB TYR 9 1HB TYR 9 -6.691 -12.159 -6.299 78 HD1 TYR 9 HD1 TYR 9 -3.709 -11.102 -8.162 79 HD2 TYR 9 HD2 TYR 9 -6.271 -14.341 -7.172 80 HE1 TYR 9 HE1 TYR 9 -2.053 -12.678 -9.049 81 HE2 TYR 9 HE2 TYR 9 -4.627 -15.930 -8.069 82 HH TYR 9 HH TYR 9 -2.773 -15.968 -9.632 83 H GLU 10 H GLU 10 -7.049 -11.052 -10.581 84 HA GLU 10 HA GLU 10 -8.050 -13.791 -10.867 85 1HB GLU 10 2HB GLU 10 -9.699 -11.683 -11.217 86 2HB GLU 10 1HB GLU 10 -8.999 -11.767 -12.821 87 1HG GLU 10 2HG GLU 10 -10.337 -14.071 -11.433 88 2HG GLU 10 1HG GLU 10 -11.138 -12.975 -12.550 89 H ASN 11 H ASN 11 -7.272 -14.824 -12.706 90 HA ASN 11 HA ASN 11 -5.758 -15.386 -14.285 91 1HB ASN 11 2HB ASN 11 -6.637 -12.665 -15.026 92 2HB ASN 11 1HB ASN 11 -5.205 -13.272 -15.844 93 1HD2 ASN 11 1HD2 ASN 11 -7.968 -12.718 -16.762 94 2HD2 ASN 11 2HD2 ASN 11 -8.498 -14.180 -17.511 95 H GLY 12 H GLY 12 -4.679 -14.365 -11.726 96 1HA GLY 12 2HA GLY 12 -2.505 -14.205 -10.916 97 2HA GLY 12 1HA GLY 12 -1.932 -14.149 -12.576 98 H VAL 13 H VAL 13 -4.418 -12.005 -11.638 99 HA VAL 13 HA VAL 13 -2.521 -9.736 -11.546 100 HB VAL 13 HB VAL 13 -5.248 -9.522 -12.735 101 1HG1 VAL 13 1HG1 VAL 13 -4.047 -7.479 -12.275 102 2HG1 VAL 13 2HG1 VAL 13 -4.188 -7.696 -14.020 103 3HG1 VAL 13 3HG1 VAL 13 -2.660 -8.042 -13.208 104 1HG2 VAL 13 1HG2 VAL 13 -4.258 -11.352 -14.008 105 2HG2 VAL 13 2HG2 VAL 13 -2.793 -10.410 -14.280 106 3HG2 VAL 13 3HG2 VAL 13 -4.319 -9.903 -15.008 107 H PHE 14 H PHE 14 -3.241 -7.960 -10.213 108 HA PHE 14 HA PHE 14 -5.683 -8.498 -8.675 109 1HB PHE 14 2HB PHE 14 -3.364 -6.634 -8.165 110 2HB PHE 14 1HB PHE 14 -4.836 -6.621 -7.216 111 HD1 PHE 14 HD1 PHE 14 -5.401 -8.503 -5.768 112 HD2 PHE 14 HD2 PHE 14 -1.711 -8.350 -7.885 113 HE1 PHE 14 HE1 PHE 14 -4.490 -10.249 -4.300 114 HE2 PHE 14 HE2 PHE 14 -0.794 -10.097 -6.413 115 HZ PHE 14 HZ PHE 14 -2.189 -11.048 -4.617 116 H LYS 15 H LYS 15 -7.419 -7.596 -9.498 117 HA LYS 15 HA LYS 15 -7.215 -5.057 -10.970 118 1HB LYS 15 2HB LYS 15 -9.371 -7.188 -10.849 119 2HB LYS 15 1HB LYS 15 -9.549 -5.668 -11.696 120 1HG LYS 15 2HG LYS 15 -7.319 -7.546 -12.344 121 2HG LYS 15 1HG LYS 15 -8.928 -7.758 -13.032 122 1HD LYS 15 2HD LYS 15 -8.757 -5.339 -13.795 123 2HD LYS 15 1HD LYS 15 -7.042 -5.442 -13.383 124 1HE LYS 15 2HE LYS 15 -6.760 -7.295 -14.930 125 2HE LYS 15 1HE LYS 15 -8.483 -7.275 -15.299 126 1HZ LYS 15 1HZ LYS 15 -8.017 -4.848 -16.002 127 2HZ LYS 15 2HZ LYS 15 -7.580 -6.109 -17.044 128 3HZ LYS 15 3HZ LYS 15 -6.396 -5.352 -16.098 129 HA PRO 16 HA PRO 16 -8.387 -3.168 -7.029 130 1HB PRO 16 2HB PRO 16 -9.251 -1.264 -9.175 131 2HB PRO 16 1HB PRO 16 -8.558 -0.899 -7.592 132 1HG PRO 16 2HG PRO 16 -7.018 -0.928 -9.757 133 2HG PRO 16 1HG PRO 16 -6.427 -1.625 -8.236 134 1HD PRO 16 2HD PRO 16 -7.252 -2.986 -10.723 135 2HD PRO 16 1HD PRO 16 -6.188 -3.553 -9.423 136 H LEU 17 H LEU 17 -10.059 -2.265 -6.032 137 HA LEU 17 HA LEU 17 -12.718 -2.310 -7.240 138 1HB LEU 17 2HB LEU 17 -11.987 -3.094 -4.405 139 2HB LEU 17 1HB LEU 17 -13.625 -2.860 -4.979 140 HG LEU 17 HG LEU 17 -11.725 -4.990 -5.969 141 1HD1 LEU 17 1HD1 LEU 17 -12.442 -5.353 -3.658 142 2HD1 LEU 17 2HD1 LEU 17 -13.152 -6.539 -4.755 143 3HD1 LEU 17 3HD1 LEU 17 -14.127 -5.195 -4.161 144 1HD2 LEU 17 1HD2 LEU 17 -13.729 -5.901 -7.061 145 2HD2 LEU 17 2HD2 LEU 17 -13.302 -4.308 -7.685 146 3HD2 LEU 17 3HD2 LEU 17 -14.642 -4.483 -6.551 147 H GLN 18 H GLN 18 -12.589 -0.284 -7.664 148 HA GLN 18 HA GLN 18 -13.096 1.850 -7.552 149 1HB GLN 18 2HB GLN 18 -13.717 2.985 -5.585 150 2HB GLN 18 1HB GLN 18 -14.395 1.376 -5.506 151 1HG GLN 18 2HG GLN 18 -13.674 1.541 -3.410 152 2HG GLN 18 1HG GLN 18 -12.200 0.929 -4.118 153 1HE2 GLN 18 1HE2 GLN 18 -10.855 1.786 -2.642 154 2HE2 GLN 18 2HE2 GLN 18 -10.537 3.480 -2.498 155 H LYS 19 H LYS 19 -12.036 3.925 -6.008 156 HA LYS 19 HA LYS 19 -10.097 4.395 -7.918 157 1HB LYS 19 2HB LYS 19 -10.659 5.902 -5.380 158 2HB LYS 19 1HB LYS 19 -9.643 6.493 -6.685 159 1HG LYS 19 2HG LYS 19 -12.576 5.867 -6.829 160 2HG LYS 19 1HG LYS 19 -11.822 7.458 -6.856 161 1HD LYS 19 2HD LYS 19 -10.718 6.898 -8.963 162 2HD LYS 19 1HD LYS 19 -11.476 5.304 -8.931 163 1HE LYS 19 2HE LYS 19 -12.721 6.772 -10.399 164 2HE LYS 19 1HE LYS 19 -13.688 6.381 -8.979 165 1HZ LYS 19 1HZ LYS 19 -12.921 8.550 -8.028 166 2HZ LYS 19 2HZ LYS 19 -13.929 8.684 -9.384 167 3HZ LYS 19 3HZ LYS 19 -12.258 8.917 -9.547 168 H VAL 20 H VAL 20 -8.065 4.366 -8.093 169 HA VAL 20 HA VAL 20 -6.266 4.309 -5.779 170 HB VAL 20 HB VAL 20 -5.511 2.698 -8.156 171 1HG1 VAL 20 1HG1 VAL 20 -4.100 1.528 -6.526 172 2HG1 VAL 20 2HG1 VAL 20 -4.766 2.545 -5.249 173 3HG1 VAL 20 3HG1 VAL 20 -3.813 3.267 -6.544 174 1HG2 VAL 20 1HG2 VAL 20 -7.646 1.701 -7.509 175 2HG2 VAL 20 2HG2 VAL 20 -7.076 1.557 -5.846 176 3HG2 VAL 20 3HG2 VAL 20 -6.306 0.621 -7.126 177 H ASP 21 H ASP 21 -4.687 5.643 -6.007 178 HA ASP 21 HA ASP 21 -4.043 6.572 -8.702 179 1HB ASP 21 2HB ASP 21 -5.459 8.214 -7.568 180 2HB ASP 21 1HB ASP 21 -4.295 8.302 -6.259 181 H LEU 22 H LEU 22 -2.492 5.142 -8.586 182 HA LEU 22 HA LEU 22 -0.099 5.954 -7.072 183 1HB LEU 22 2HB LEU 22 -1.029 3.265 -8.039 184 2HB LEU 22 1HB LEU 22 0.628 3.567 -7.592 185 HG LEU 22 HG LEU 22 -1.745 3.845 -5.757 186 1HD1 LEU 22 1HD1 LEU 22 -1.294 1.524 -6.338 187 2HD1 LEU 22 2HD1 LEU 22 -0.834 1.849 -4.665 188 3HD1 LEU 22 3HD1 LEU 22 0.405 1.734 -5.914 189 1HD2 LEU 22 1HD2 LEU 22 -0.043 4.084 -4.001 190 2HD2 LEU 22 2HD2 LEU 22 0.036 5.391 -5.182 191 3HD2 LEU 22 3HD2 LEU 22 1.217 4.082 -5.234 192 H LYS 23 H LYS 23 1.932 4.983 -8.318 193 HA LYS 23 HA LYS 23 1.641 5.656 -11.143 194 1HB LYS 23 2HB LYS 23 4.154 6.086 -11.002 195 2HB LYS 23 1HB LYS 23 3.101 7.277 -10.263 196 1HG LYS 23 2HG LYS 23 3.583 6.386 -8.068 197 2HG LYS 23 1HG LYS 23 4.541 5.084 -8.778 198 1HD LYS 23 2HD LYS 23 6.188 6.619 -9.567 199 2HD LYS 23 1HD LYS 23 5.176 8.005 -9.171 200 1HE LYS 23 2HE LYS 23 6.968 7.748 -7.550 201 2HE LYS 23 1HE LYS 23 5.398 7.492 -6.792 202 1HZ LYS 23 1HZ LYS 23 5.749 5.176 -6.739 203 2HZ LYS 23 2HZ LYS 23 7.172 5.880 -6.155 204 3HZ LYS 23 3HZ LYS 23 7.117 5.271 -7.735 205 H GLU 24 H GLU 24 3.178 4.485 -12.605 206 HA GLU 24 HA GLU 24 2.903 1.719 -12.190 207 1HB GLU 24 2HB GLU 24 4.542 3.270 -14.195 208 2HB GLU 24 1HB GLU 24 4.293 1.541 -14.245 209 1HG GLU 24 2HG GLU 24 1.876 1.901 -14.446 210 2HG GLU 24 1HG GLU 24 2.157 3.640 -14.453 211 H GLY 25 H GLY 25 4.232 0.202 -11.615 212 1HA GLY 25 2HA GLY 25 5.764 -0.729 -10.202 213 2HA GLY 25 1HA GLY 25 6.890 0.517 -10.728 214 H GLU 26 H GLU 26 3.869 0.404 -8.945 215 HA GLU 26 HA GLU 26 5.183 1.764 -6.700 216 1HB GLU 26 2HB GLU 26 2.533 1.964 -7.918 217 2HB GLU 26 1HB GLU 26 2.461 1.722 -6.171 218 1HG GLU 26 2HG GLU 26 3.926 3.876 -7.639 219 2HG GLU 26 1HG GLU 26 2.445 4.041 -6.722 220 H ARG 27 H ARG 27 5.101 0.835 -4.656 221 HA ARG 27 HA ARG 27 4.420 -2.009 -4.770 222 1HB ARG 27 2HB ARG 27 6.447 -0.546 -3.186 223 2HB ARG 27 1HB ARG 27 5.783 -2.031 -2.546 224 1HG ARG 27 2HG ARG 27 7.593 -2.828 -3.676 225 2HG ARG 27 1HG ARG 27 6.341 -2.963 -4.910 226 1HD ARG 27 2HD ARG 27 8.077 -1.982 -6.052 227 2HD ARG 27 1HD ARG 27 7.094 -0.595 -5.588 228 HE ARG 27 HE ARG 27 8.984 -1.071 -3.574 229 1HH1 ARG 27 1HH1 ARG 27 8.852 0.088 -6.880 230 2HH1 ARG 27 2HH1 ARG 27 10.276 1.065 -6.714 231 1HH2 ARG 27 1HH2 ARG 27 10.839 0.175 -3.365 232 2HH2 ARG 27 2HH2 ARG 27 11.422 1.116 -4.709 233 H VAL 28 H VAL 28 2.949 -2.804 -3.773 234 HA VAL 28 HA VAL 28 1.731 -1.506 -1.435 235 HB VAL 28 HB VAL 28 -0.518 -2.064 -2.303 236 1HG1 VAL 28 1HG1 VAL 28 0.327 0.179 -2.666 237 2HG1 VAL 28 2HG1 VAL 28 -0.643 -0.334 -4.044 238 3HG1 VAL 28 3HG1 VAL 28 1.116 -0.331 -4.160 239 1HG2 VAL 28 1HG2 VAL 28 0.085 -3.923 -3.752 240 2HG2 VAL 28 2HG2 VAL 28 0.946 -2.824 -4.832 241 3HG2 VAL 28 3HG2 VAL 28 -0.805 -2.696 -4.655 242 H LYS 29 H LYS 29 0.698 -3.004 0.004 243 HA LYS 29 HA LYS 29 1.635 -5.757 -0.432 244 1HB LYS 29 2HB LYS 29 1.090 -4.226 2.086 245 2HB LYS 29 1HB LYS 29 1.213 -5.971 2.063 246 1HG LYS 29 2HG LYS 29 3.485 -5.763 1.104 247 2HG LYS 29 1HG LYS 29 3.351 -4.010 1.261 248 1HD LYS 29 2HD LYS 29 2.839 -4.455 3.719 249 2HD LYS 29 1HD LYS 29 3.441 -6.084 3.425 250 1HE LYS 29 2HE LYS 29 5.019 -3.584 2.833 251 2HE LYS 29 1HE LYS 29 5.131 -4.477 4.348 252 1HZ LYS 29 1HZ LYS 29 5.849 -5.460 1.635 253 2HZ LYS 29 2HZ LYS 29 5.772 -6.444 3.015 254 3HZ LYS 29 3HZ LYS 29 6.889 -5.178 2.948 255 H ILE 30 H ILE 30 0.318 -7.377 -0.313 256 HA ILE 30 HA ILE 30 -2.572 -6.798 -0.280 257 HB ILE 30 HB ILE 30 -1.270 -9.225 -1.486 258 1HG1 ILE 30 2HG1 ILE 30 -0.374 -7.246 -2.656 259 2HG1 ILE 30 1HG1 ILE 30 -1.439 -8.183 -3.700 260 1HG2 ILE 30 1HG2 ILE 30 -3.614 -9.471 -0.993 261 2HG2 ILE 30 2HG2 ILE 30 -3.371 -9.403 -2.739 262 3HG2 ILE 30 3HG2 ILE 30 -3.979 -7.987 -1.882 263 1HD1 ILE 30 1HD1 ILE 30 -1.816 -5.809 -3.974 264 2HD1 ILE 30 2HD1 ILE 30 -2.156 -5.647 -2.251 265 3HD1 ILE 30 3HD1 ILE 30 -3.238 -6.586 -3.279 266 H LYS 31 H LYS 31 -3.851 -8.091 0.914 267 HA LYS 31 HA LYS 31 -2.918 -10.523 2.044 268 1HB LYS 31 2HB LYS 31 -3.399 -9.928 4.316 269 2HB LYS 31 1HB LYS 31 -2.164 -8.854 3.701 270 1HG LYS 31 2HG LYS 31 -3.935 -7.165 3.315 271 2HG LYS 31 1HG LYS 31 -5.081 -8.251 4.095 272 1HD LYS 31 2HD LYS 31 -4.515 -7.107 5.947 273 2HD LYS 31 1HD LYS 31 -3.135 -8.200 5.959 274 1HE LYS 31 2HE LYS 31 -3.202 -5.409 4.813 275 2HE LYS 31 1HE LYS 31 -2.409 -5.905 6.305 276 1HZ LYS 31 1HZ LYS 31 -0.946 -7.327 4.973 277 2HZ LYS 31 2HZ LYS 31 -0.806 -5.698 4.534 278 3HZ LYS 31 3HZ LYS 31 -1.684 -6.768 3.557 279 H LEU 32 H LEU 32 -4.708 -11.735 2.886 280 HA LEU 32 HA LEU 32 -7.113 -11.281 1.441 281 1HB LEU 32 2HB LEU 32 -6.370 -13.245 3.611 282 2HB LEU 32 1HB LEU 32 -7.967 -13.194 2.893 283 HG LEU 32 HG LEU 32 -6.775 -14.930 1.799 284 1HD1 LEU 32 1HD1 LEU 32 -6.787 -12.502 0.031 285 2HD1 LEU 32 2HD1 LEU 32 -8.150 -13.578 0.343 286 3HD1 LEU 32 3HD1 LEU 32 -6.732 -14.176 -0.517 287 1HD2 LEU 32 1HD2 LEU 32 -4.514 -14.309 2.407 288 2HD2 LEU 32 2HD2 LEU 32 -4.574 -12.946 1.291 289 3HD2 LEU 32 3HD2 LEU 32 -4.633 -14.595 0.670 290 H GLU 33 H GLU 33 -9.179 -10.726 2.302 291 HA GLU 33 HA GLU 33 -9.107 -8.501 3.917 292 1HB GLU 33 2HB GLU 33 -11.007 -8.948 2.554 293 2HB GLU 33 1HB GLU 33 -11.400 -10.368 3.505 294 1HG GLU 33 2HG GLU 33 -12.001 -9.070 5.379 295 2HG GLU 33 1HG GLU 33 -11.329 -7.609 4.656 296 H LEU 34 H LEU 34 -8.967 -8.082 5.847 297 HA LEU 34 HA LEU 34 -8.355 -8.175 7.988 298 1HB LEU 34 2HB LEU 34 -10.851 -9.784 7.892 299 2HB LEU 34 1HB LEU 34 -9.998 -9.519 9.395 300 HG LEU 34 HG LEU 34 -10.919 -7.301 7.606 301 1HD1 LEU 34 1HD1 LEU 34 -12.724 -6.938 9.197 302 2HD1 LEU 34 2HD1 LEU 34 -12.215 -8.358 10.112 303 3HD1 LEU 34 3HD1 LEU 34 -12.841 -8.543 8.472 304 1HD2 LEU 34 1HD2 LEU 34 -9.040 -6.731 9.041 305 2HD2 LEU 34 2HD2 LEU 34 -9.935 -7.295 10.452 306 3HD2 LEU 34 3HD2 LEU 34 -10.504 -5.889 9.550 307 H LYS 35 H LYS 35 -7.606 -9.332 9.825 308 HA LYS 35 HA LYS 35 -6.071 -11.663 8.996 309 1HB LYS 35 2HB LYS 35 -4.672 -11.115 10.938 310 2HB LYS 35 1HB LYS 35 -4.809 -9.762 9.836 311 1HG LYS 35 2HG LYS 35 -6.260 -8.608 11.290 312 2HG LYS 35 1HG LYS 35 -6.531 -10.039 12.284 313 1HD LYS 35 2HD LYS 35 -4.209 -9.979 13.026 314 2HD LYS 35 1HD LYS 35 -3.906 -8.574 11.999 315 1HE LYS 35 2HE LYS 35 -5.447 -7.243 13.287 316 2HE LYS 35 1HE LYS 35 -5.925 -8.647 14.240 317 1HZ LYS 35 1HZ LYS 35 -3.120 -7.709 14.185 318 2HZ LYS 35 2HZ LYS 35 -3.884 -8.696 15.337 319 3HZ LYS 35 3HZ LYS 35 -4.253 -7.042 15.255 320 H VAL 36 H VAL 36 -5.504 -13.128 10.931 321 HA VAL 36 HA VAL 36 -7.975 -14.032 12.171 322 HB VAL 36 HB VAL 36 -6.567 -15.711 11.099 323 1HG1 VAL 36 1HG1 VAL 36 -4.397 -14.642 11.379 324 2HG1 VAL 36 2HG1 VAL 36 -4.364 -16.298 11.984 325 3HG1 VAL 36 3HG1 VAL 36 -4.461 -14.949 13.115 326 1HG2 VAL 36 1HG2 VAL 36 -6.383 -17.330 12.935 327 2HG2 VAL 36 2HG2 VAL 36 -7.908 -16.445 12.983 328 3HG2 VAL 36 3HG2 VAL 36 -6.609 -16.019 14.096 329 H GLU 37 H GLU 37 -8.134 -14.392 14.432 330 HA GLU 37 HA GLU 37 -6.722 -12.407 15.980 331 1HB GLU 37 2HB GLU 37 -8.373 -13.017 17.722 332 2HB GLU 37 1HB GLU 37 -9.047 -12.322 16.267 333 1HG GLU 37 2HG GLU 37 -8.924 -15.275 16.751 334 2HG GLU 37 1HG GLU 37 -10.239 -14.260 17.307 335 HA PRO 38 HA PRO 38 -4.047 -15.306 17.934 336 1HB PRO 38 2HB PRO 38 -3.625 -14.095 20.327 337 2HB PRO 38 1HB PRO 38 -2.911 -13.504 18.821 338 1HG PRO 38 2HG PRO 38 -5.347 -12.541 20.275 339 2HG PRO 38 1HG PRO 38 -4.053 -11.596 19.512 340 1HD PRO 38 2HD PRO 38 -6.450 -12.012 18.326 341 2HD PRO 38 1HD PRO 38 -4.942 -11.852 17.401 342 H ILE 39 H ILE 39 -3.793 -16.502 20.095 343 HA ILE 39 HA ILE 39 -6.480 -17.276 21.026 344 HB ILE 39 HB ILE 39 -4.157 -19.184 20.781 345 1HG1 ILE 39 2HG1 ILE 39 -6.419 -18.802 18.805 346 2HG1 ILE 39 1HG1 ILE 39 -4.764 -18.268 18.540 347 1HG2 ILE 39 1HG2 ILE 39 -7.127 -19.660 21.019 348 2HG2 ILE 39 2HG2 ILE 39 -5.956 -19.803 22.331 349 3HG2 ILE 39 3HG2 ILE 39 -5.877 -20.903 20.952 350 1HD1 ILE 39 1HD1 ILE 39 -3.997 -20.571 18.627 351 2HD1 ILE 39 2HD1 ILE 39 -5.234 -20.357 17.387 352 3HD1 ILE 39 3HD1 ILE 39 -5.648 -21.115 18.925 353 H ASP 40 H ASP 40 -6.642 -17.975 23.166 354 HA ASP 40 HA ASP 40 -4.300 -18.126 24.844 355 1HB ASP 40 2HB ASP 40 -5.063 -15.689 24.891 356 2HB ASP 40 1HB ASP 40 -6.532 -16.263 25.675 357 H LEU 41 H LEU 41 -5.125 -20.297 24.604 358 HA LEU 41 HA LEU 41 -7.747 -20.881 25.738 359 1HB LEU 41 2HB LEU 41 -7.149 -21.911 23.611 360 2HB LEU 41 1HB LEU 41 -5.711 -22.612 24.326 361 HG LEU 41 HG LEU 41 -7.197 -23.966 25.821 362 1HD1 LEU 41 1HD1 LEU 41 -9.552 -24.217 25.156 363 2HD1 LEU 41 2HD1 LEU 41 -9.360 -22.886 24.013 364 3HD1 LEU 41 3HD1 LEU 41 -9.196 -22.594 25.747 365 1HD2 LEU 41 1HD2 LEU 41 -7.846 -25.554 24.058 366 2HD2 LEU 41 2HD2 LEU 41 -6.210 -24.936 23.837 367 3HD2 LEU 41 3HD2 LEU 41 -7.528 -24.315 22.846 368 H GLY 42 H GLY 42 -8.054 -21.844 27.664 369 1HA GLY 42 2HA GLY 42 -5.914 -22.167 29.487 370 2HA GLY 42 1HA GLY 42 -7.576 -22.688 29.734 371 H GLU 43 H GLU 43 -4.508 -23.639 29.271 372 HA GLU 43 HA GLU 43 -5.113 -26.173 27.980 373 1HB GLU 43 2HB GLU 43 -3.139 -24.872 27.268 374 2HB GLU 43 1HB GLU 43 -2.468 -25.043 28.883 375 1HG GLU 43 2HG GLU 43 -2.298 -27.432 28.604 376 2HG GLU 43 1HG GLU 43 -3.074 -27.330 27.023 377 HA PRO 44 HA PRO 44 -5.458 -27.908 32.100 378 1HB PRO 44 2HB PRO 44 -6.241 -30.365 30.759 379 2HB PRO 44 1HB PRO 44 -7.207 -29.305 31.789 380 1HG PRO 44 2HG PRO 44 -7.631 -29.557 29.112 381 2HG PRO 44 1HG PRO 44 -7.982 -28.075 30.018 382 1HD PRO 44 2HD PRO 44 -5.624 -28.730 28.292 383 2HD PRO 44 1HD PRO 44 -6.547 -27.214 28.413 384 H VAL 45 H VAL 45 -3.554 -28.361 32.982 385 HA VAL 45 HA VAL 45 -2.015 -30.611 31.878 386 HB VAL 45 HB VAL 45 -0.767 -28.524 31.852 387 1HG1 VAL 45 1HG1 VAL 45 -1.135 -28.478 34.833 388 2HG1 VAL 45 2HG1 VAL 45 -1.868 -27.362 33.681 389 3HG1 VAL 45 3HG1 VAL 45 -0.120 -27.379 33.905 390 1HG2 VAL 45 1HG2 VAL 45 0.512 -30.550 32.188 391 2HG2 VAL 45 2HG2 VAL 45 0.289 -30.414 33.935 392 3HG2 VAL 45 3HG2 VAL 45 1.238 -29.207 33.069 393 H SER 46 H SER 46 -0.847 -31.857 33.555 394 HA SER 46 HA SER 46 -2.716 -32.867 35.432 395 1HB SER 46 2HB SER 46 0.249 -33.411 35.452 396 2HB SER 46 1HB SER 46 -1.056 -34.470 35.970 397 HG SER 46 HG SER 46 -0.385 -35.144 33.948 398 H VAL 47 H VAL 47 -2.273 -33.084 37.764 399 HA VAL 47 HA VAL 47 -1.163 -30.554 38.787 400 HB VAL 47 HB VAL 47 -3.581 -30.660 39.067 401 1HG1 VAL 47 1HG1 VAL 47 -4.637 -32.312 40.540 402 2HG1 VAL 47 2HG1 VAL 47 -3.096 -33.159 40.680 403 3HG1 VAL 47 3HG1 VAL 47 -3.909 -33.058 39.117 404 1HG2 VAL 47 1HG2 VAL 47 -2.310 -29.470 40.752 405 2HG2 VAL 47 2HG2 VAL 47 -2.098 -30.956 41.676 406 3HG2 VAL 47 3HG2 VAL 47 -3.705 -30.256 41.489 407 H GLU 48 H GLU 48 0.333 -30.623 40.340 408 HA GLU 48 HA GLU 48 0.899 -33.217 41.591 409 1HB GLU 48 2HB GLU 48 2.960 -31.190 40.742 410 2HB GLU 48 1HB GLU 48 3.274 -32.746 41.487 411 1HG GLU 48 2HG GLU 48 2.203 -33.823 39.506 412 2HG GLU 48 1HG GLU 48 2.154 -32.234 38.745 413 H GLU 49 H GLU 49 0.805 -33.159 43.686 414 HA GLU 49 HA GLU 49 0.350 -30.643 45.028 415 1HB GLU 49 2HB GLU 49 -0.134 -32.207 47.000 416 2HB GLU 49 1HB GLU 49 -1.216 -32.284 45.615 417 1HG GLU 49 2HG GLU 49 0.034 -34.243 44.791 418 2HG GLU 49 1HG GLU 49 1.020 -34.196 46.253 419 H ILE 50 H ILE 50 2.858 -32.955 44.734 420 HA ILE 50 HA ILE 50 4.241 -32.090 47.142 421 HB ILE 50 HB ILE 50 5.252 -34.017 45.036 422 1HG1 ILE 50 2HG1 ILE 50 3.061 -34.765 45.858 423 2HG1 ILE 50 1HG1 ILE 50 4.348 -35.824 46.418 424 1HG2 ILE 50 1HG2 ILE 50 6.948 -33.203 46.591 425 2HG2 ILE 50 2HG2 ILE 50 6.610 -34.912 46.871 426 3HG2 ILE 50 3HG2 ILE 50 5.944 -33.691 47.956 427 1HD1 ILE 50 1HD1 ILE 50 2.970 -33.692 48.030 428 2HD1 ILE 50 2HD1 ILE 50 4.290 -34.710 48.603 429 3HD1 ILE 50 3HD1 ILE 50 2.740 -35.435 48.173 430 H LYS 51 H LYS 51 3.824 -30.778 44.226 431 HA LYS 51 HA LYS 51 6.490 -30.200 43.382 432 1HB LYS 51 2HB LYS 51 4.564 -30.220 41.844 433 2HB LYS 51 1HB LYS 51 3.883 -28.835 42.685 434 1HG LYS 51 2HG LYS 51 5.854 -27.508 42.037 435 2HG LYS 51 1HG LYS 51 6.461 -28.896 41.131 436 1HD LYS 51 2HD LYS 51 3.842 -27.475 40.636 437 2HD LYS 51 1HD LYS 51 5.308 -27.288 39.674 438 1HE LYS 51 2HE LYS 51 3.814 -29.878 40.065 439 2HE LYS 51 1HE LYS 51 3.652 -28.826 38.660 440 1HZ LYS 51 1HZ LYS 51 5.189 -30.714 38.330 441 2HZ LYS 51 2HZ LYS 51 6.212 -30.069 39.520 442 3HZ LYS 51 3HZ LYS 51 5.920 -29.203 38.088 443 H LYS 52 H LYS 52 7.782 -28.529 43.889 444 HA LYS 52 HA LYS 52 8.693 -26.805 44.972 445 1HB LYS 52 2HB LYS 52 7.167 -25.538 43.626 446 2HB LYS 52 1HB LYS 52 5.884 -25.775 44.798 447 1HG LYS 52 2HG LYS 52 7.287 -24.543 46.453 448 2HG LYS 52 1HG LYS 52 8.391 -24.168 45.126 449 1HD LYS 52 2HD LYS 52 5.462 -23.537 45.095 450 2HD LYS 52 1HD LYS 52 6.702 -22.402 45.625 451 1HE LYS 52 2HE LYS 52 7.759 -22.548 43.417 452 2HE LYS 52 1HE LYS 52 6.498 -23.670 42.900 453 1HZ LYS 52 1HZ LYS 52 6.076 -20.851 43.747 454 2HZ LYS 52 2HZ LYS 52 4.855 -21.931 43.276 455 3HZ LYS 52 3HZ LYS 52 6.023 -21.431 42.153 456 H ILE 53 H ILE 53 9.407 -27.446 46.878 457 HA ILE 53 HA ILE 53 7.714 -27.938 49.116 458 HB ILE 53 HB ILE 53 9.677 -29.230 48.945 459 1HG1 ILE 53 2HG1 ILE 53 11.029 -28.497 50.920 460 2HG1 ILE 53 1HG1 ILE 53 9.994 -27.089 51.021 461 1HG2 ILE 53 1HG2 ILE 53 11.231 -26.663 48.684 462 2HG2 ILE 53 2HG2 ILE 53 10.950 -27.862 47.419 463 3HG2 ILE 53 3HG2 ILE 53 11.937 -28.272 48.821 464 1HD1 ILE 53 1HD1 ILE 53 9.280 -28.801 52.585 465 2HD1 ILE 53 2HD1 ILE 53 9.109 -29.957 51.262 466 3HD1 ILE 53 3HD1 ILE 53 8.059 -28.542 51.339 467 H ARG 54 H ARG 54 7.026 -26.479 50.564 468 HA ARG 54 HA ARG 54 8.340 -23.847 50.615 469 1HB ARG 54 2HB ARG 54 6.079 -23.546 49.934 470 2HB ARG 54 1HB ARG 54 5.483 -24.645 51.172 471 1HG ARG 54 2HG ARG 54 6.322 -23.008 52.885 472 2HG ARG 54 1HG ARG 54 6.632 -21.895 51.556 473 1HD ARG 54 2HD ARG 54 3.932 -23.131 51.887 474 2HD ARG 54 1HD ARG 54 4.398 -21.749 52.876 475 HE ARG 54 HE ARG 54 4.963 -20.853 50.417 476 1HH1 ARG 54 1HH1 ARG 54 2.179 -22.593 51.596 477 2HH1 ARG 54 2HH1 ARG 54 1.037 -21.692 50.654 478 1HH2 ARG 54 1HH2 ARG 54 3.462 -19.679 49.105 479 2HH2 ARG 54 2HH2 ARG 54 1.765 -20.048 49.229 480 H ASP 55 H ASP 55 9.617 -23.599 52.336 481 HA ASP 55 HA ASP 55 8.726 -24.763 54.889 482 1HB ASP 55 2HB ASP 55 10.959 -25.513 54.079 483 2HB ASP 55 1HB ASP 55 11.521 -23.851 54.165 484 H GLY 56 H GLY 56 9.010 -23.449 56.785 485 1HA GLY 56 2HA GLY 56 8.535 -20.617 56.083 486 2HA GLY 56 1HA GLY 56 7.722 -21.452 57.396 487 H THR 57 H THR 57 11.176 -21.663 56.693 488 HA THR 57 HA THR 57 11.764 -20.804 59.371 489 HB THR 57 HB THR 57 13.094 -22.577 58.276 490 HG1 THR 57 HG1 THR 57 13.919 -21.006 59.949 491 1HG2 THR 57 1HG2 THR 57 14.147 -20.330 56.554 492 2HG2 THR 57 2HG2 THR 57 13.172 -21.692 56.004 493 3HG2 THR 57 3HG2 THR 57 14.802 -21.965 56.616 494 H TRP 58 H TRP 58 12.999 -19.047 59.973 495 HA TRP 58 HA TRP 58 13.590 -16.927 58.080 496 1HB TRP 58 2HB TRP 58 11.206 -16.629 58.815 497 2HB TRP 58 1HB TRP 58 11.785 -16.423 60.459 498 HD1 TRP 58 HD1 TRP 58 12.575 -14.035 61.146 499 HE1 TRP 58 HE1 TRP 58 12.767 -11.779 59.915 500 HE3 TRP 58 HE3 TRP 58 11.793 -15.656 56.350 501 HZ2 TRP 58 HZ2 TRP 58 12.614 -10.825 57.271 502 HZ3 TRP 58 HZ3 TRP 58 11.837 -14.002 54.529 503 HH2 TRP 58 HH2 TRP 58 12.239 -11.636 54.985 504 H MET 59 H MET 59 15.379 -15.822 58.721 505 HA MET 59 HA MET 59 16.649 -16.721 61.184 506 1HB MET 59 2HB MET 59 17.919 -16.647 59.052 507 2HB MET 59 1HB MET 59 17.717 -14.903 59.010 508 1HG MET 59 2HG MET 59 19.049 -16.262 61.321 509 2HG MET 59 1HG MET 59 19.935 -15.867 59.853 510 1HE MET 59 1HE MET 59 21.170 -13.155 62.423 511 2HE MET 59 2HE MET 59 21.649 -14.445 61.319 512 3HE MET 59 3HE MET 59 20.739 -14.829 62.778 513 H SER 60 H SER 60 16.579 -15.621 63.014 514 HA SER 60 HA SER 60 15.579 -12.881 62.964 515 1HB SER 60 2HB SER 60 15.996 -14.742 65.308 516 2HB SER 60 1HB SER 60 15.189 -13.175 65.358 517 HG SER 60 HG SER 60 14.282 -15.624 64.377 518 H SER 61 H SER 61 16.960 -11.286 63.010 519 HA SER 61 HA SER 61 19.742 -11.781 63.604 520 1HB SER 61 2HB SER 61 18.350 -9.293 62.591 521 2HB SER 61 1HB SER 61 20.097 -9.514 62.705 522 HG SER 61 HG SER 61 18.894 -11.568 61.380 523 H LEU 62 H LEU 62 17.626 -11.614 65.775 524 HA LEU 62 HA LEU 62 18.041 -9.272 67.281 525 1HB LEU 62 2HB LEU 62 16.148 -10.681 67.727 526 2HB LEU 62 1HB LEU 62 17.183 -12.058 68.056 527 HG LEU 62 HG LEU 62 18.052 -10.879 70.047 528 1HD1 LEU 62 1HD1 LEU 62 15.899 -8.873 69.393 529 2HD1 LEU 62 2HD1 LEU 62 17.640 -8.586 69.385 530 3HD1 LEU 62 3HD1 LEU 62 16.811 -8.935 70.900 531 1HD2 LEU 62 1HD2 LEU 62 16.278 -12.515 70.279 532 2HD2 LEU 62 2HD2 LEU 62 15.064 -11.280 69.947 533 3HD2 LEU 62 3HD2 LEU 62 16.032 -11.193 71.420 534 H GLU 63 H GLU 63 19.991 -8.636 67.907 535 HA GLU 63 HA GLU 63 21.860 -10.621 68.989 536 1HB GLU 63 2HB GLU 63 23.658 -9.204 68.037 537 2HB GLU 63 1HB GLU 63 22.625 -9.916 66.811 538 1HG GLU 63 2HG GLU 63 21.423 -7.805 66.597 539 2HG GLU 63 1HG GLU 63 22.453 -7.090 67.837 540 H HIS 64 H HIS 64 23.389 -9.778 70.544 541 HA HIS 64 HA HIS 64 22.591 -7.219 71.756 542 1HB HIS 64 2HB HIS 64 23.265 -8.206 73.993 543 2HB HIS 64 1HB HIS 64 21.773 -8.830 73.301 544 HD1 HIS 64 HD1 HIS 64 21.816 -11.305 72.426 545 HD2 HIS 64 HD2 HIS 64 25.284 -10.068 74.367 546 HE1 HIS 64 HE1 HIS 64 23.101 -13.407 72.939 547 HE2 HIS 64 HE2 HIS 64 25.293 -12.612 73.895 548 H HIS 65 H HIS 65 24.162 -6.005 70.871 549 HA HIS 65 HA HIS 65 26.933 -6.712 71.533 550 1HB HIS 65 2HB HIS 65 25.916 -5.874 68.813 551 2HB HIS 65 1HB HIS 65 27.615 -5.825 69.267 552 HD1 HIS 65 HD1 HIS 65 25.562 -7.796 67.327 553 HD2 HIS 65 HD2 HIS 65 28.189 -8.691 70.432 554 HE1 HIS 65 HE1 HIS 65 26.153 -10.227 67.044 555 HE2 HIS 65 HE2 HIS 65 27.886 -10.692 68.817 556 H HIS 66 H HIS 66 27.871 -5.118 72.580 557 HA HIS 66 HA HIS 66 27.518 -2.393 71.617 558 1HB HIS 66 2HB HIS 66 27.262 -3.264 74.478 559 2HB HIS 66 1HB HIS 66 27.709 -1.616 74.052 560 HD1 HIS 66 HD1 HIS 66 24.825 -3.767 74.590 561 HD2 HIS 66 HD2 HIS 66 25.628 -0.248 72.520 562 HE1 HIS 66 HE1 HIS 66 22.584 -2.724 74.121 563 HE2 HIS 66 HE2 HIS 66 23.098 -0.528 73.002 564 H HIS 67 H HIS 67 29.234 -4.478 73.766 565 HA HIS 67 HA HIS 67 31.410 -4.730 74.351 566 1HB HIS 67 2HB HIS 67 31.651 -3.811 71.514 567 2HB HIS 67 1HB HIS 67 33.103 -4.024 72.487 568 HD1 HIS 67 HD1 HIS 67 32.209 -5.817 69.972 569 HD2 HIS 67 HD2 HIS 67 31.891 -6.802 74.001 570 HE1 HIS 67 HE1 HIS 67 32.143 -8.332 70.059 571 HE2 HIS 67 HE2 HIS 67 32.181 -8.896 72.515 572 H HIS 68 H HIS 68 30.008 -2.117 74.799 573 HA HIS 68 HA HIS 68 32.327 -0.386 75.180 574 1HB HIS 68 2HB HIS 68 30.252 0.636 74.294 575 2HB HIS 68 1HB HIS 68 29.391 0.123 75.738 576 HD1 HIS 68 HD1 HIS 68 28.848 2.729 75.967 577 HD2 HIS 68 HD2 HIS 68 32.830 1.654 76.533 578 HE1 HIS 68 HE1 HIS 68 29.930 4.696 77.108 579 HE2 HIS 68 HE2 HIS 68 32.309 3.982 77.547 580 H HIS 69 H HIS 69 33.460 -0.665 76.971 581 HA HIS 69 HA HIS 69 32.074 -1.717 79.337 582 1HB HIS 69 2HB HIS 69 34.465 -2.238 80.131 583 2HB HIS 69 1HB HIS 69 33.789 -3.238 78.857 584 HD1 HIS 69 HD1 HIS 69 34.888 -3.142 76.553 585 HD2 HIS 69 HD2 HIS 69 36.627 -0.590 79.341 586 HE1 HIS 69 HE1 HIS 69 37.051 -2.379 75.521 587 HE2 HIS 69 HE2 HIS 69 38.185 -1.024 77.315 588 1H MET 1 1H MET 1 -4.507 -18.790 5.130 589 2H MET 1 2H MET 1 -4.122 -20.137 6.083 590 3H MET 1 3H MET 1 -2.993 -19.544 4.967 591 HA MET 1 HA MET 1 -3.946 -18.211 7.424 592 1HB MET 1 2HB MET 1 -2.294 -19.970 7.806 593 2HB MET 1 1HB MET 1 -1.232 -19.260 6.599 594 1HG MET 1 2HG MET 1 -0.957 -17.283 7.978 595 2HG MET 1 1HG MET 1 -2.063 -17.952 9.176 596 1HE MET 1 1HE MET 1 1.477 -18.131 10.905 597 2HE MET 1 2HE MET 1 -0.173 -17.524 11.051 598 3HE MET 1 3HE MET 1 0.896 -16.885 9.798 599 HA PRO 2 HA PRO 2 -3.532 -14.427 5.209 600 1HB PRO 2 2HB PRO 2 -2.855 -13.347 7.895 601 2HB PRO 2 1HB PRO 2 -4.085 -12.813 6.742 602 1HG PRO 2 2HG PRO 2 -4.779 -14.183 8.917 603 2HG PRO 2 1HG PRO 2 -5.576 -14.486 7.361 604 1HD PRO 2 2HD PRO 2 -3.477 -16.088 8.763 605 2HD PRO 2 1HD PRO 2 -4.881 -16.637 7.824 606 H LYS 3 H LYS 3 -1.709 -14.621 4.003 607 HA LYS 3 HA LYS 3 0.809 -13.719 5.232 608 1HB LYS 3 2HB LYS 3 0.284 -15.143 2.618 609 2HB LYS 3 1HB LYS 3 1.858 -14.539 3.109 610 1HG LYS 3 2HG LYS 3 1.845 -16.060 5.021 611 2HG LYS 3 1HG LYS 3 0.257 -16.653 4.535 612 1HD LYS 3 2HD LYS 3 2.690 -16.771 2.779 613 2HD LYS 3 1HD LYS 3 2.196 -18.090 3.840 614 1HE LYS 3 2HE LYS 3 0.010 -18.156 2.668 615 2HE LYS 3 1HE LYS 3 0.593 -16.908 1.574 616 1HZ LYS 3 1HZ LYS 3 1.742 -19.635 1.876 617 2HZ LYS 3 2HZ LYS 3 2.356 -18.424 0.859 618 3HZ LYS 3 3HZ LYS 3 0.815 -19.071 0.573 619 H ILE 4 H ILE 4 2.032 -12.093 3.993 620 HA ILE 4 HA ILE 4 0.219 -10.351 2.560 621 HB ILE 4 HB ILE 4 1.711 -8.589 2.936 622 1HG1 ILE 4 2HG1 ILE 4 3.809 -9.904 2.511 623 2HG1 ILE 4 1HG1 ILE 4 3.896 -8.729 3.797 624 1HG2 ILE 4 1HG2 ILE 4 0.328 -9.136 4.835 625 2HG2 ILE 4 2HG2 ILE 4 1.885 -8.510 5.374 626 3HG2 ILE 4 3HG2 ILE 4 1.563 -10.242 5.436 627 1HD1 ILE 4 1HD1 ILE 4 3.489 -10.628 5.403 628 2HD1 ILE 4 2HD1 ILE 4 5.041 -10.618 4.565 629 3HD1 ILE 4 3HD1 ILE 4 3.759 -11.705 4.031 630 H ILE 5 H ILE 5 0.489 -9.812 0.502 631 HA ILE 5 HA ILE 5 2.795 -10.949 -0.949 632 HB ILE 5 HB ILE 5 0.264 -10.099 -2.305 633 1HG1 ILE 5 2HG1 ILE 5 0.722 -12.849 -1.131 634 2HG1 ILE 5 1HG1 ILE 5 -0.372 -11.646 -0.446 635 1HG2 ILE 5 1HG2 ILE 5 2.302 -12.221 -2.929 636 2HG2 ILE 5 2HG2 ILE 5 2.213 -10.624 -3.668 637 3HG2 ILE 5 3HG2 ILE 5 0.921 -11.793 -3.938 638 1HD1 ILE 5 1HD1 ILE 5 -1.574 -13.300 -1.744 639 2HD1 ILE 5 2HD1 ILE 5 -0.603 -12.912 -3.166 640 3HD1 ILE 5 3HD1 ILE 5 -1.697 -11.708 -2.487 641 H GLU 6 H GLU 6 3.398 -9.508 -2.888 642 HA GLU 6 HA GLU 6 2.691 -6.715 -2.401 643 1HB GLU 6 2HB GLU 6 5.442 -7.830 -2.960 644 2HB GLU 6 1HB GLU 6 5.040 -6.121 -2.966 645 1HG GLU 6 2HG GLU 6 4.437 -6.224 -0.624 646 2HG GLU 6 1HG GLU 6 4.743 -7.958 -0.606 647 H ALA 7 H ALA 7 2.258 -5.570 -4.185 648 HA ALA 7 HA ALA 7 2.799 -6.825 -6.788 649 1HB ALA 7 1HB ALA 7 0.531 -6.226 -7.550 650 2HB ALA 7 2HB ALA 7 0.135 -5.657 -5.929 651 3HB ALA 7 3HB ALA 7 0.484 -7.364 -6.203 652 H VAL 8 H VAL 8 2.852 -5.337 -8.562 653 HA VAL 8 HA VAL 8 3.283 -2.570 -7.737 654 HB VAL 8 HB VAL 8 4.539 -2.386 -9.913 655 1HG1 VAL 8 1HG1 VAL 8 5.662 -2.489 -7.761 656 2HG1 VAL 8 2HG1 VAL 8 6.587 -3.359 -8.982 657 3HG1 VAL 8 3HG1 VAL 8 5.621 -4.250 -7.809 658 1HG2 VAL 8 1HG2 VAL 8 5.447 -4.453 -10.870 659 2HG2 VAL 8 2HG2 VAL 8 3.692 -4.365 -11.027 660 3HG2 VAL 8 3HG2 VAL 8 4.416 -5.392 -9.790 661 H TYR 9 H TYR 9 1.766 -1.225 -8.247 662 HA TYR 9 HA TYR 9 -0.349 -1.553 -10.106 663 1HB TYR 9 2HB TYR 9 -0.248 0.068 -8.204 664 2HB TYR 9 1HB TYR 9 0.995 0.967 -9.054 665 HD1 TYR 9 HD1 TYR 9 -2.470 0.611 -8.432 666 HD2 TYR 9 HD2 TYR 9 0.313 2.025 -11.325 667 HE1 TYR 9 HE1 TYR 9 -4.212 2.060 -9.382 668 HE2 TYR 9 HE2 TYR 9 -1.428 3.460 -12.306 669 HH TYR 9 HH TYR 9 -3.849 3.645 -12.400 670 H GLU 10 H GLU 10 -0.089 -1.838 -12.216 671 HA GLU 10 HA GLU 10 1.896 -0.204 -13.642 672 1HB GLU 10 2HB GLU 10 2.555 -2.683 -13.081 673 2HB GLU 10 1HB GLU 10 1.500 -3.055 -14.424 674 1HG GLU 10 2HG GLU 10 2.834 -1.515 -15.837 675 2HG GLU 10 1HG GLU 10 3.949 -1.314 -14.488 676 H ASN 11 H ASN 11 1.123 0.649 -15.406 677 HA ASN 11 HA ASN 11 -0.374 1.292 -17.011 678 1HB ASN 11 2HB ASN 11 0.348 -1.203 -17.620 679 2HB ASN 11 1HB ASN 11 -1.342 -1.513 -17.277 680 1HD2 ASN 11 1HD2 ASN 11 -0.049 1.411 -18.751 681 2HD2 ASN 11 2HD2 ASN 11 -0.820 1.190 -20.278 682 H GLY 12 H GLY 12 -1.397 1.284 -14.223 683 1HA GLY 12 2HA GLY 12 -3.732 1.670 -13.626 684 2HA GLY 12 1HA GLY 12 -4.168 0.443 -14.806 685 H VAL 13 H VAL 13 -2.736 -1.610 -14.308 686 HA VAL 13 HA VAL 13 -4.401 -2.521 -12.076 687 HB VAL 13 HB VAL 13 -3.098 -4.099 -14.287 688 1HG1 VAL 13 1HG1 VAL 13 -4.889 -5.694 -13.835 689 2HG1 VAL 13 2HG1 VAL 13 -5.399 -4.697 -12.470 690 3HG1 VAL 13 3HG1 VAL 13 -3.804 -5.451 -12.469 691 1HG2 VAL 13 1HG2 VAL 13 -4.470 -2.393 -15.301 692 2HG2 VAL 13 2HG2 VAL 13 -5.826 -2.817 -14.255 693 3HG2 VAL 13 3HG2 VAL 13 -5.255 -3.966 -15.466 694 H PHE 14 H PHE 14 -3.621 -4.256 -10.670 695 HA PHE 14 HA PHE 14 -0.837 -3.776 -9.964 696 1HB PHE 14 2HB PHE 14 -3.070 -5.220 -8.550 697 2HB PHE 14 1HB PHE 14 -1.428 -5.137 -7.935 698 HD1 PHE 14 HD1 PHE 14 -0.453 -2.897 -7.383 699 HD2 PHE 14 HD2 PHE 14 -4.588 -3.462 -8.213 700 HE1 PHE 14 HE1 PHE 14 -0.963 -0.778 -6.252 701 HE2 PHE 14 HE2 PHE 14 -5.101 -1.339 -7.077 702 HZ PHE 14 HZ PHE 14 -3.292 -0.002 -6.096 703 H LYS 15 H LYS 15 0.731 -5.033 -10.616 704 HA LYS 15 HA LYS 15 0.221 -7.882 -11.153 705 1HB LYS 15 2HB LYS 15 2.529 -6.091 -11.914 706 2HB LYS 15 1HB LYS 15 2.434 -7.802 -12.266 707 1HG LYS 15 2HG LYS 15 0.480 -7.405 -13.679 708 2HG LYS 15 1HG LYS 15 0.591 -5.675 -13.323 709 1HD LYS 15 2HD LYS 15 2.856 -5.643 -14.273 710 2HD LYS 15 1HD LYS 15 2.702 -7.356 -14.667 711 1HE LYS 15 2HE LYS 15 0.793 -6.832 -16.122 712 2HE LYS 15 1HE LYS 15 1.001 -5.117 -15.749 713 1HZ LYS 15 1HZ LYS 15 3.135 -5.122 -16.783 714 2HZ LYS 15 2HZ LYS 15 2.044 -5.827 -17.875 715 3HZ LYS 15 3HZ LYS 15 3.102 -6.806 -16.989 716 HA PRO 16 HA PRO 16 2.272 -8.368 -7.180 717 1HB PRO 16 2HB PRO 16 2.413 -11.090 -7.210 718 2HB PRO 16 1HB PRO 16 0.971 -10.186 -6.734 719 1HG PRO 16 2HG PRO 16 1.618 -11.498 -9.341 720 2HG PRO 16 1HG PRO 16 0.081 -11.453 -8.458 721 1HD PRO 16 2HD PRO 16 0.585 -9.855 -10.581 722 2HD PRO 16 1HD PRO 16 -0.443 -9.339 -9.227 723 H LEU 17 H LEU 17 4.257 -9.303 -6.385 724 HA LEU 17 HA LEU 17 6.223 -9.954 -8.485 725 1HB LEU 17 2HB LEU 17 6.721 -8.864 -5.706 726 2HB LEU 17 1HB LEU 17 7.966 -9.281 -6.867 727 HG LEU 17 HG LEU 17 6.572 -7.504 -8.334 728 1HD1 LEU 17 1HD1 LEU 17 4.971 -7.040 -6.560 729 2HD1 LEU 17 2HD1 LEU 17 5.938 -5.614 -6.935 730 3HD1 LEU 17 3HD1 LEU 17 6.288 -6.560 -5.487 731 1HD2 LEU 17 1HD2 LEU 17 8.701 -6.835 -6.301 732 2HD2 LEU 17 2HD2 LEU 17 8.281 -5.872 -7.718 733 3HD2 LEU 17 3HD2 LEU 17 8.975 -7.479 -7.921 734 H GLN 18 H GLN 18 4.296 -11.098 -6.100 735 HA GLN 18 HA GLN 18 5.897 -13.588 -5.861 736 1HB GLN 18 2HB GLN 18 3.657 -12.637 -4.053 737 2HB GLN 18 1HB GLN 18 4.520 -14.150 -3.889 738 1HG GLN 18 2HG GLN 18 5.531 -12.923 -2.278 739 2HG GLN 18 1HG GLN 18 6.596 -12.574 -3.636 740 1HE2 GLN 18 1HE2 GLN 18 5.740 -11.092 -1.122 741 2HE2 GLN 18 2HE2 GLN 18 5.375 -9.510 -1.699 742 H LYS 19 H LYS 19 4.862 -15.513 -6.558 743 HA LYS 19 HA LYS 19 2.500 -15.245 -8.088 744 1HB LYS 19 2HB LYS 19 4.264 -16.934 -8.500 745 2HB LYS 19 1HB LYS 19 3.780 -17.758 -7.027 746 1HG LYS 19 2HG LYS 19 1.558 -18.087 -7.959 747 2HG LYS 19 1HG LYS 19 2.071 -17.286 -9.446 748 1HD LYS 19 2HD LYS 19 2.329 -19.517 -9.940 749 2HD LYS 19 1HD LYS 19 3.950 -19.037 -9.478 750 1HE LYS 19 2HE LYS 19 3.600 -19.953 -7.248 751 2HE LYS 19 1HE LYS 19 1.950 -20.404 -7.684 752 1HZ LYS 19 1HZ LYS 19 3.488 -22.277 -7.823 753 2HZ LYS 19 2HZ LYS 19 4.408 -21.449 -8.984 754 3HZ LYS 19 3HZ LYS 19 2.811 -21.911 -9.337 755 H VAL 20 H VAL 20 0.495 -15.400 -7.459 756 HA VAL 20 HA VAL 20 -0.004 -15.640 -4.606 757 HB VAL 20 HB VAL 20 -2.003 -14.924 -6.744 758 1HG1 VAL 20 1HG1 VAL 20 -2.973 -15.540 -4.602 759 2HG1 VAL 20 2HG1 VAL 20 -3.192 -13.823 -4.928 760 3HG1 VAL 20 3HG1 VAL 20 -1.953 -14.353 -3.790 761 1HG2 VAL 20 1HG2 VAL 20 -1.526 -12.575 -6.237 762 2HG2 VAL 20 2HG2 VAL 20 -0.113 -13.396 -6.903 763 3HG2 VAL 20 3HG2 VAL 20 -0.214 -13.075 -5.171 764 H ASP 21 H ASP 21 -1.540 -16.982 -3.730 765 HA ASP 21 HA ASP 21 -1.707 -19.549 -5.172 766 1HB ASP 21 2HB ASP 21 -0.134 -19.389 -3.252 767 2HB ASP 21 1HB ASP 21 -1.487 -19.028 -2.197 768 H LEU 22 H LEU 22 -3.566 -17.199 -4.788 769 HA LEU 22 HA LEU 22 -5.761 -18.289 -3.244 770 1HB LEU 22 2HB LEU 22 -5.430 -15.661 -4.679 771 2HB LEU 22 1HB LEU 22 -6.768 -16.090 -3.639 772 HG LEU 22 HG LEU 22 -3.906 -15.931 -2.724 773 1HD1 LEU 22 1HD1 LEU 22 -4.529 -13.852 -1.627 774 2HD1 LEU 22 2HD1 LEU 22 -6.140 -13.950 -2.333 775 3HD1 LEU 22 3HD1 LEU 22 -4.736 -13.731 -3.374 776 1HD2 LEU 22 1HD2 LEU 22 -5.263 -17.464 -1.414 777 2HD2 LEU 22 2HD2 LEU 22 -6.477 -16.209 -1.181 778 3HD2 LEU 22 3HD2 LEU 22 -4.872 -16.018 -0.484 779 H LYS 23 H LYS 23 -7.943 -17.236 -4.560 780 HA LYS 23 HA LYS 23 -8.013 -18.926 -6.974 781 1HB LYS 23 2HB LYS 23 -9.359 -19.724 -5.039 782 2HB LYS 23 1HB LYS 23 -10.274 -18.229 -5.079 783 1HG LYS 23 2HG LYS 23 -10.186 -19.860 -7.556 784 2HG LYS 23 1HG LYS 23 -11.137 -20.466 -6.201 785 1HD LYS 23 2HD LYS 23 -12.349 -18.318 -6.131 786 2HD LYS 23 1HD LYS 23 -11.430 -17.775 -7.536 787 1HE LYS 23 2HE LYS 23 -12.353 -19.624 -8.850 788 2HE LYS 23 1HE LYS 23 -13.277 -20.160 -7.446 789 1HZ LYS 23 1HZ LYS 23 -14.368 -17.945 -7.462 790 2HZ LYS 23 2HZ LYS 23 -14.707 -18.892 -8.831 791 3HZ LYS 23 3HZ LYS 23 -13.598 -17.614 -8.935 792 H GLU 24 H GLU 24 -9.406 -18.188 -8.716 793 HA GLU 24 HA GLU 24 -8.890 -15.550 -9.434 794 1HB GLU 24 2HB GLU 24 -11.131 -17.227 -10.567 795 2HB GLU 24 1HB GLU 24 -10.206 -15.978 -11.370 796 1HG GLU 24 2HG GLU 24 -9.262 -17.839 -12.279 797 2HG GLU 24 1HG GLU 24 -8.196 -17.580 -10.901 798 H GLY 25 H GLY 25 -9.920 -13.725 -9.410 799 1HA GLY 25 2HA GLY 25 -11.097 -12.083 -8.356 800 2HA GLY 25 1HA GLY 25 -12.494 -13.132 -8.554 801 H GLU 26 H GLU 26 -9.530 -13.117 -6.659 802 HA GLU 26 HA GLU 26 -10.984 -13.930 -4.300 803 1HB GLU 26 2HB GLU 26 -8.778 -14.864 -4.892 804 2HB GLU 26 1HB GLU 26 -8.069 -13.267 -4.704 805 1HG GLU 26 2HG GLU 26 -7.711 -14.700 -2.793 806 2HG GLU 26 1HG GLU 26 -8.613 -13.248 -2.381 807 H ARG 27 H ARG 27 -11.060 -12.745 -2.357 808 HA ARG 27 HA ARG 27 -11.178 -9.865 -2.804 809 1HB ARG 27 2HB ARG 27 -12.919 -11.459 -1.630 810 2HB ARG 27 1HB ARG 27 -11.983 -11.040 -0.213 811 1HG ARG 27 2HG ARG 27 -13.704 -9.465 -0.262 812 2HG ARG 27 1HG ARG 27 -12.320 -8.614 -0.956 813 1HD ARG 27 2HD ARG 27 -14.212 -8.159 -2.335 814 2HD ARG 27 1HD ARG 27 -13.162 -9.263 -3.221 815 HE ARG 27 HE ARG 27 -15.661 -10.037 -1.840 816 1HH1 ARG 27 1HH1 ARG 27 -13.261 -10.583 -4.351 817 2HH1 ARG 27 2HH1 ARG 27 -14.130 -11.906 -5.059 818 1HH2 ARG 27 1HH2 ARG 27 -16.772 -11.794 -2.766 819 2HH2 ARG 27 2HH2 ARG 27 -16.115 -12.588 -4.170 820 H VAL 28 H VAL 28 -9.431 -8.909 -2.520 821 HA VAL 28 HA VAL 28 -7.824 -9.408 -0.103 822 HB VAL 28 HB VAL 28 -5.792 -8.840 -1.347 823 1HG1 VAL 28 1HG1 VAL 28 -7.389 -11.099 -2.546 824 2HG1 VAL 28 2HG1 VAL 28 -6.348 -11.177 -1.126 825 3HG1 VAL 28 3HG1 VAL 28 -5.646 -10.897 -2.720 826 1HG2 VAL 28 1HG2 VAL 28 -6.733 -7.424 -3.076 827 2HG2 VAL 28 2HG2 VAL 28 -7.592 -8.799 -3.768 828 3HG2 VAL 28 3HG2 VAL 28 -5.828 -8.747 -3.811 829 H LYS 29 H LYS 29 -6.713 -7.573 0.748 830 HA LYS 29 HA LYS 29 -7.767 -5.017 -0.203 831 1HB LYS 29 2HB LYS 29 -7.495 -6.084 2.561 832 2HB LYS 29 1HB LYS 29 -7.252 -4.368 2.297 833 1HG LYS 29 2HG LYS 29 -9.464 -4.250 1.218 834 2HG LYS 29 1HG LYS 29 -9.716 -5.949 1.605 835 1HD LYS 29 2HD LYS 29 -9.777 -5.533 3.898 836 2HD LYS 29 1HD LYS 29 -9.025 -3.956 3.730 837 1HE LYS 29 2HE LYS 29 -11.384 -3.724 4.267 838 2HE LYS 29 1HE LYS 29 -11.039 -3.087 2.664 839 1HZ LYS 29 1HZ LYS 29 -13.111 -4.427 2.851 840 2HZ LYS 29 2HZ LYS 29 -12.166 -5.801 3.134 841 3HZ LYS 29 3HZ LYS 29 -12.045 -4.973 1.657 842 H ILE 30 H ILE 30 -6.412 -3.244 -0.009 843 HA ILE 30 HA ILE 30 -3.539 -3.946 -0.132 844 HB ILE 30 HB ILE 30 -4.799 -1.990 -2.027 845 1HG1 ILE 30 2HG1 ILE 30 -4.399 -4.940 -2.548 846 2HG1 ILE 30 1HG1 ILE 30 -5.954 -4.137 -2.385 847 1HG2 ILE 30 1HG2 ILE 30 -2.398 -1.890 -1.759 848 2HG2 ILE 30 2HG2 ILE 30 -2.808 -2.478 -3.371 849 3HG2 ILE 30 3HG2 ILE 30 -2.262 -3.607 -2.130 850 1HD1 ILE 30 1HD1 ILE 30 -5.494 -2.817 -4.371 851 2HD1 ILE 30 2HD1 ILE 30 -5.391 -4.545 -4.714 852 3HD1 ILE 30 3HD1 ILE 30 -3.918 -3.594 -4.528 853 H LYS 31 H LYS 31 -2.143 -2.258 0.367 854 HA LYS 31 HA LYS 31 -3.171 0.388 0.758 855 1HB LYS 31 2HB LYS 31 -2.478 0.614 2.969 856 2HB LYS 31 1HB LYS 31 -3.344 -0.903 2.948 857 1HG LYS 31 2HG LYS 31 -0.909 -1.827 2.496 858 2HG LYS 31 1HG LYS 31 -0.479 -0.346 3.347 859 1HD LYS 31 2HD LYS 31 -2.285 -2.537 4.330 860 2HD LYS 31 1HD LYS 31 -0.668 -2.160 4.913 861 1HE LYS 31 2HE LYS 31 -3.030 -0.297 5.092 862 2HE LYS 31 1HE LYS 31 -2.490 -1.351 6.396 863 1HZ LYS 31 1HZ LYS 31 -0.283 -0.187 6.203 864 2HZ LYS 31 2HZ LYS 31 -1.564 0.746 6.814 865 3HZ LYS 31 3HZ LYS 31 -1.061 0.948 5.212 866 H LEU 32 H LEU 32 -1.348 1.903 1.042 867 HA LEU 32 HA LEU 32 0.713 1.111 -0.864 868 1HB LEU 32 2HB LEU 32 0.369 3.885 0.223 869 2HB LEU 32 1HB LEU 32 0.978 3.377 -1.337 870 HG LEU 32 HG LEU 32 -1.900 3.283 -0.463 871 1HD1 LEU 32 1HD1 LEU 32 -2.215 5.040 -2.156 872 2HD1 LEU 32 2HD1 LEU 32 -0.471 5.082 -2.414 873 3HD1 LEU 32 3HD1 LEU 32 -1.144 5.552 -0.852 874 1HD2 LEU 32 1HD2 LEU 32 -2.381 2.688 -2.784 875 2HD2 LEU 32 2HD2 LEU 32 -1.384 1.467 -1.990 876 3HD2 LEU 32 3HD2 LEU 32 -0.652 2.609 -3.120 877 H GLU 33 H GLU 33 2.642 0.483 -0.089 878 HA GLU 33 HA GLU 33 3.050 0.913 2.755 879 1HB GLU 33 2HB GLU 33 4.273 -1.038 0.822 880 2HB GLU 33 1HB GLU 33 4.668 -0.944 2.527 881 1HG GLU 33 2HG GLU 33 1.935 -1.496 1.402 882 2HG GLU 33 1HG GLU 33 3.037 -2.708 2.052 883 H LEU 34 H LEU 34 5.087 1.421 3.617 884 HA LEU 34 HA LEU 34 6.974 2.747 1.873 885 1HB LEU 34 2HB LEU 34 6.820 4.741 3.558 886 2HB LEU 34 1HB LEU 34 5.744 4.652 2.177 887 HG LEU 34 HG LEU 34 4.078 3.557 3.746 888 1HD1 LEU 34 1HD1 LEU 34 5.926 4.693 5.827 889 2HD1 LEU 34 2HD1 LEU 34 5.574 2.985 5.560 890 3HD1 LEU 34 3HD1 LEU 34 4.301 4.071 6.123 891 1HD2 LEU 34 1HD2 LEU 34 3.307 5.716 4.625 892 2HD2 LEU 34 2HD2 LEU 34 3.804 5.820 2.936 893 3HD2 LEU 34 3HD2 LEU 34 4.868 6.423 4.207 894 H LYS 35 H LYS 35 8.487 4.041 3.676 895 HA LYS 35 HA LYS 35 9.655 1.862 5.196 896 1HB LYS 35 2HB LYS 35 10.587 4.660 4.546 897 2HB LYS 35 1HB LYS 35 11.507 3.510 5.488 898 1HG LYS 35 2HG LYS 35 10.653 3.098 2.638 899 2HG LYS 35 1HG LYS 35 12.251 3.643 3.155 900 1HD LYS 35 2HD LYS 35 12.487 1.536 4.446 901 2HD LYS 35 1HD LYS 35 10.952 0.989 3.767 902 1HE LYS 35 2HE LYS 35 12.803 0.055 2.512 903 2HE LYS 35 1HE LYS 35 11.903 1.190 1.510 904 1HZ LYS 35 1HZ LYS 35 14.447 1.788 2.927 905 2HZ LYS 35 2HZ LYS 35 13.590 2.863 1.933 906 3HZ LYS 35 3HZ LYS 35 14.300 1.473 1.267 907 H VAL 36 H VAL 36 10.502 2.384 7.406 908 HA VAL 36 HA VAL 36 8.448 3.450 9.069 909 HB VAL 36 HB VAL 36 9.928 1.601 9.763 910 1HG1 VAL 36 1HG1 VAL 36 12.058 3.719 9.941 911 2HG1 VAL 36 2HG1 VAL 36 12.024 2.358 8.818 912 3HG1 VAL 36 3HG1 VAL 36 12.196 2.071 10.551 913 1HG2 VAL 36 1HG2 VAL 36 10.054 4.011 11.563 914 2HG2 VAL 36 2HG2 VAL 36 10.301 2.339 12.068 915 3HG2 VAL 36 3HG2 VAL 36 8.726 2.854 11.460 916 H GLU 37 H GLU 37 8.707 5.236 10.556 917 HA GLU 37 HA GLU 37 9.499 7.611 9.326 918 1HB GLU 37 2HB GLU 37 8.954 6.986 12.233 919 2HB GLU 37 1HB GLU 37 9.079 8.598 11.566 920 1HG GLU 37 2HG GLU 37 7.160 8.180 10.134 921 2HG GLU 37 1HG GLU 37 7.041 6.545 10.777 922 HA PRO 38 HA PRO 38 13.835 7.740 9.866 923 1HB PRO 38 2HB PRO 38 13.565 10.653 10.262 924 2HB PRO 38 1HB PRO 38 14.445 9.761 9.018 925 1HG PRO 38 2HG PRO 38 12.172 11.042 8.451 926 2HG PRO 38 1HG PRO 38 12.569 9.482 7.699 927 1HD PRO 38 2HD PRO 38 10.692 10.078 9.961 928 2HD PRO 38 1HD PRO 38 10.509 8.953 8.603 929 H ILE 39 H ILE 39 15.534 8.830 11.190 930 HA ILE 39 HA ILE 39 14.950 8.148 13.917 931 HB ILE 39 HB ILE 39 17.473 8.648 14.174 932 1HG1 ILE 39 2HG1 ILE 39 18.740 8.246 12.045 933 2HG1 ILE 39 1HG1 ILE 39 17.240 8.479 11.166 934 1HG2 ILE 39 1HG2 ILE 39 16.476 6.356 12.507 935 2HG2 ILE 39 2HG2 ILE 39 16.500 6.445 14.269 936 3HG2 ILE 39 3HG2 ILE 39 18.015 6.404 13.366 937 1HD1 ILE 39 1HD1 ILE 39 17.116 10.774 11.962 938 2HD1 ILE 39 2HD1 ILE 39 18.638 10.469 11.122 939 3HD1 ILE 39 3HD1 ILE 39 18.600 10.537 12.885 940 H ASP 40 H ASP 40 16.134 9.473 15.639 941 HA ASP 40 HA ASP 40 15.100 12.196 15.427 942 1HB ASP 40 2HB ASP 40 14.694 10.498 17.387 943 2HB ASP 40 1HB ASP 40 16.281 11.025 17.931 944 H LEU 41 H LEU 41 16.913 13.129 17.572 945 HA LEU 41 HA LEU 41 19.186 13.783 15.874 946 1HB LEU 41 2HB LEU 41 18.404 14.822 18.603 947 2HB LEU 41 1HB LEU 41 19.746 15.414 17.645 948 HG LEU 41 HG LEU 41 16.830 15.609 16.895 949 1HD1 LEU 41 1HD1 LEU 41 17.424 17.104 18.710 950 2HD1 LEU 41 2HD1 LEU 41 17.163 18.015 17.223 951 3HD1 LEU 41 3HD1 LEU 41 18.803 17.702 17.792 952 1HD2 LEU 41 1HD2 LEU 41 19.287 16.646 15.483 953 2HD2 LEU 41 2HD2 LEU 41 17.619 16.995 15.032 954 3HD2 LEU 41 3HD2 LEU 41 18.235 15.346 14.924 955 H GLY 42 H GLY 42 21.193 14.217 17.684 956 1HA GLY 42 2HA GLY 42 21.642 11.699 19.068 957 2HA GLY 42 1HA GLY 42 22.760 12.155 17.784 958 H GLU 43 H GLU 43 23.018 11.890 20.757 959 HA GLU 43 HA GLU 43 23.427 14.531 21.783 960 1HB GLU 43 2HB GLU 43 24.214 13.429 23.777 961 2HB GLU 43 1HB GLU 43 22.791 12.584 23.202 962 1HG GLU 43 2HG GLU 43 24.144 10.823 22.289 963 2HG GLU 43 1HG GLU 43 25.618 11.701 22.694 964 HA PRO 44 HA PRO 44 27.786 14.999 20.702 965 1HB PRO 44 2HB PRO 44 28.166 16.338 23.290 966 2HB PRO 44 1HB PRO 44 28.335 16.992 21.659 967 1HG PRO 44 2HG PRO 44 26.310 17.706 23.293 968 2HG PRO 44 1HG PRO 44 26.125 17.610 21.533 969 1HD PRO 44 2HD PRO 44 25.266 15.660 23.639 970 2HD PRO 44 1HD PRO 44 24.413 16.181 22.169 971 H VAL 45 H VAL 45 29.924 14.375 21.634 972 HA VAL 45 HA VAL 45 29.909 11.830 22.661 973 HB VAL 45 HB VAL 45 31.890 12.488 21.687 974 1HG1 VAL 45 1HG1 VAL 45 31.737 14.893 21.954 975 2HG1 VAL 45 2HG1 VAL 45 33.319 14.329 22.494 976 3HG1 VAL 45 3HG1 VAL 45 32.079 14.736 23.677 977 1HG2 VAL 45 1HG2 VAL 45 33.644 12.115 23.359 978 2HG2 VAL 45 2HG2 VAL 45 32.298 10.984 23.528 979 3HG2 VAL 45 3HG2 VAL 45 32.449 12.353 24.630 980 H SER 46 H SER 46 29.994 10.868 24.521 981 HA SER 46 HA SER 46 28.876 12.347 26.750 982 1HB SER 46 2HB SER 46 29.387 9.374 26.587 983 2HB SER 46 1HB SER 46 28.207 10.222 27.580 984 HG SER 46 HG SER 46 27.102 10.804 25.653 985 H VAL 47 H VAL 47 29.608 11.561 29.010 986 HA VAL 47 HA VAL 47 32.510 11.846 29.140 987 HB VAL 47 HB VAL 47 30.504 11.875 31.404 988 1HG1 VAL 47 1HG1 VAL 47 32.294 12.928 32.687 989 2HG1 VAL 47 2HG1 VAL 47 33.385 12.758 31.310 990 3HG1 VAL 47 3HG1 VAL 47 32.760 11.323 32.127 991 1HG2 VAL 47 1HG2 VAL 47 30.075 13.700 29.841 992 2HG2 VAL 47 2HG2 VAL 47 31.764 14.197 29.947 993 3HG2 VAL 47 3HG2 VAL 47 30.719 14.311 31.365 994 H GLU 48 H GLU 48 33.843 10.231 29.753 995 HA GLU 48 HA GLU 48 32.776 7.569 29.926 996 1HB GLU 48 2HB GLU 48 35.625 8.464 30.304 997 2HB GLU 48 1HB GLU 48 35.075 6.844 29.916 998 1HG GLU 48 2HG GLU 48 34.354 7.533 27.741 999 2HG GLU 48 1HG GLU 48 34.678 9.224 28.121 1000 H GLU 49 H GLU 49 32.139 6.625 31.703 1001 HA GLU 49 HA GLU 49 32.668 7.811 34.294 1002 1HB GLU 49 2HB GLU 49 30.987 5.421 33.530 1003 2HB GLU 49 1HB GLU 49 31.029 6.169 35.119 1004 1HG GLU 49 2HG GLU 49 29.972 8.121 34.347 1005 2HG GLU 49 1HG GLU 49 30.233 7.687 32.659 1006 H ILE 50 H ILE 50 33.761 5.149 32.444 1007 HA ILE 50 HA ILE 50 34.758 3.694 34.767 1008 HB ILE 50 HB ILE 50 33.576 2.556 32.863 1009 1HG1 ILE 50 2HG1 ILE 50 36.392 1.595 33.412 1010 2HG1 ILE 50 1HG1 ILE 50 35.010 1.332 34.469 1011 1HG2 ILE 50 1HG2 ILE 50 34.529 3.769 31.011 1012 2HG2 ILE 50 2HG2 ILE 50 34.904 2.052 30.845 1013 3HG2 ILE 50 3HG2 ILE 50 36.141 3.176 31.411 1014 1HD1 ILE 50 1HD1 ILE 50 33.934 -0.011 32.749 1015 2HD1 ILE 50 2HD1 ILE 50 35.532 -0.644 33.141 1016 3HD1 ILE 50 3HD1 ILE 50 35.289 0.282 31.658 1017 H LYS 51 H LYS 51 35.792 6.249 33.244 1018 HA LYS 51 HA LYS 51 38.475 5.418 32.522 1019 1HB LYS 51 2HB LYS 51 37.031 7.111 31.255 1020 2HB LYS 51 1HB LYS 51 37.413 8.233 32.553 1021 1HG LYS 51 2HG LYS 51 39.749 8.142 32.036 1022 2HG LYS 51 1HG LYS 51 39.481 6.842 30.869 1023 1HD LYS 51 2HD LYS 51 37.989 8.434 29.618 1024 2HD LYS 51 1HD LYS 51 38.577 9.706 30.690 1025 1HE LYS 51 2HE LYS 51 40.826 9.403 29.913 1026 2HE LYS 51 1HE LYS 51 40.359 7.976 28.987 1027 1HZ LYS 51 1HZ LYS 51 39.403 10.741 28.494 1028 2HZ LYS 51 2HZ LYS 51 38.961 9.371 27.606 1029 3HZ LYS 51 3HZ LYS 51 40.562 9.919 27.574 1030 H LYS 52 H LYS 52 40.363 6.180 33.494 1031 HA LYS 52 HA LYS 52 40.171 6.625 36.327 1032 1HB LYS 52 2HB LYS 52 42.538 6.457 34.454 1033 2HB LYS 52 1HB LYS 52 42.649 6.574 36.198 1034 1HG LYS 52 2HG LYS 52 41.651 4.446 36.497 1035 2HG LYS 52 1HG LYS 52 41.208 4.349 34.791 1036 1HD LYS 52 2HD LYS 52 43.557 4.268 34.169 1037 2HD LYS 52 1HD LYS 52 44.027 4.435 35.862 1038 1HE LYS 52 2HE LYS 52 43.003 2.311 36.390 1039 2HE LYS 52 1HE LYS 52 42.399 2.156 34.741 1040 1HZ LYS 52 1HZ LYS 52 45.287 2.418 35.304 1041 2HZ LYS 52 2HZ LYS 52 44.530 1.804 33.912 1042 3HZ LYS 52 3HZ LYS 52 44.516 0.911 35.353 1043 H ILE 53 H ILE 53 40.792 8.446 37.458 1044 HA ILE 53 HA ILE 53 41.208 10.880 35.838 1045 HB ILE 53 HB ILE 53 39.890 10.675 38.551 1046 1HG1 ILE 53 2HG1 ILE 53 38.664 11.275 35.849 1047 2HG1 ILE 53 1HG1 ILE 53 38.506 9.747 36.708 1048 1HG2 ILE 53 1HG2 ILE 53 40.273 13.039 36.716 1049 2HG2 ILE 53 2HG2 ILE 53 41.057 12.780 38.274 1050 3HG2 ILE 53 3HG2 ILE 53 39.315 13.043 38.195 1051 1HD1 ILE 53 1HD1 ILE 53 37.476 12.418 37.634 1052 2HD1 ILE 53 2HD1 ILE 53 37.334 10.902 38.523 1053 3HD1 ILE 53 3HD1 ILE 53 36.517 11.096 36.972 1054 H ARG 54 H ARG 54 41.891 9.349 38.946 1055 HA ARG 54 HA ARG 54 43.533 9.459 40.435 1056 1HB ARG 54 2HB ARG 54 45.006 10.285 37.970 1057 2HB ARG 54 1HB ARG 54 45.783 10.239 39.534 1058 1HG ARG 54 2HG ARG 54 45.049 7.850 39.732 1059 2HG ARG 54 1HG ARG 54 44.564 7.958 38.038 1060 1HD ARG 54 2HD ARG 54 46.772 8.305 37.317 1061 2HD ARG 54 1HD ARG 54 47.337 8.681 38.946 1062 HE ARG 54 HE ARG 54 46.784 6.024 37.848 1063 1HH1 ARG 54 1HH1 ARG 54 47.820 8.020 40.532 1064 2HH1 ARG 54 2HH1 ARG 54 48.513 6.690 41.414 1065 1HH2 ARG 54 1HH2 ARG 54 47.716 4.264 39.016 1066 2HH2 ARG 54 2HH2 ARG 54 48.434 4.570 40.572 1067 H ASP 55 H ASP 55 44.527 10.769 41.913 1068 HA ASP 55 HA ASP 55 44.551 13.645 41.477 1069 1HB ASP 55 2HB ASP 55 42.264 13.068 42.360 1070 2HB ASP 55 1HB ASP 55 43.038 12.456 43.817 1071 H GLY 56 H GLY 56 45.496 14.746 43.497 1072 1HA GLY 56 2HA GLY 56 47.932 13.389 44.183 1073 2HA GLY 56 1HA GLY 56 47.431 14.981 44.741 1074 H THR 57 H THR 57 47.006 11.518 45.253 1075 HA THR 57 HA THR 57 45.820 11.993 47.868 1076 HB THR 57 HB THR 57 44.834 10.238 46.479 1077 HG1 THR 57 HG1 THR 57 45.251 10.057 48.948 1078 1HG2 THR 57 1HG2 THR 57 46.837 9.559 45.244 1079 2HG2 THR 57 2HG2 THR 57 46.048 8.169 45.991 1080 3HG2 THR 57 3HG2 THR 57 47.505 8.849 46.714 1081 H TRP 58 H TRP 58 46.693 11.103 49.780 1082 HA TRP 58 HA TRP 58 49.627 10.904 49.725 1083 1HB TRP 58 2HB TRP 58 49.012 12.839 50.966 1084 2HB TRP 58 1HB TRP 58 47.727 11.979 51.807 1085 HD1 TRP 58 HD1 TRP 58 48.326 10.843 54.060 1086 HE1 TRP 58 HE1 TRP 58 50.478 10.593 55.446 1087 HE3 TRP 58 HE3 TRP 58 51.696 12.573 50.628 1088 HZ2 TRP 58 HZ2 TRP 58 53.241 11.077 55.124 1089 HZ3 TRP 58 HZ3 TRP 58 54.073 12.646 51.244 1090 HH2 TRP 58 HH2 TRP 58 54.830 11.912 53.448 1091 H MET 59 H MET 59 50.603 9.179 50.567 1092 HA MET 59 HA MET 59 49.282 7.454 52.460 1093 1HB MET 59 2HB MET 59 49.555 5.399 51.149 1094 2HB MET 59 1HB MET 59 48.457 6.517 50.357 1095 1HG MET 59 2HG MET 59 49.718 5.726 48.607 1096 2HG MET 59 1HG MET 59 50.530 7.238 49.005 1097 1HE MET 59 1HE MET 59 53.516 4.967 47.906 1098 2HE MET 59 2HE MET 59 52.702 6.514 47.683 1099 3HE MET 59 3HE MET 59 51.892 5.018 47.222 1100 H SER 60 H SER 60 50.748 6.128 53.594 1101 HA SER 60 HA SER 60 53.562 6.404 52.910 1102 1HB SER 60 2HB SER 60 54.044 6.995 55.304 1103 2HB SER 60 1HB SER 60 53.210 8.257 54.403 1104 HG SER 60 HG SER 60 51.225 7.363 55.341 1105 H SER 61 H SER 61 54.882 4.791 53.711 1106 HA SER 61 HA SER 61 53.539 2.433 54.807 1107 1HB SER 61 2HB SER 61 55.019 2.108 52.866 1108 2HB SER 61 1HB SER 61 56.355 2.845 53.746 1109 HG SER 61 HG SER 61 55.839 1.031 55.334 1110 H LEU 62 H LEU 62 54.371 5.072 56.163 1111 HA LEU 62 HA LEU 62 56.344 4.196 58.096 1112 1HB LEU 62 2HB LEU 62 54.881 6.824 57.833 1113 2HB LEU 62 1HB LEU 62 56.187 6.500 58.956 1114 HG LEU 62 HG LEU 62 56.428 6.483 55.946 1115 1HD1 LEU 62 1HD1 LEU 62 57.393 8.480 57.988 1116 2HD1 LEU 62 2HD1 LEU 62 56.075 8.722 56.841 1117 3HD1 LEU 62 3HD1 LEU 62 57.727 8.523 56.257 1118 1HD2 LEU 62 1HD2 LEU 62 57.972 4.926 56.996 1119 2HD2 LEU 62 2HD2 LEU 62 58.516 6.189 58.101 1120 3HD2 LEU 62 3HD2 LEU 62 58.831 6.332 56.371 1121 H GLU 63 H GLU 63 55.260 2.637 59.300 1122 HA GLU 63 HA GLU 63 53.248 3.755 61.133 1123 1HB GLU 63 2HB GLU 63 52.422 1.788 59.886 1124 2HB GLU 63 1HB GLU 63 53.783 0.848 60.478 1125 1HG GLU 63 2HG GLU 63 52.965 1.224 62.792 1126 2HG GLU 63 1HG GLU 63 51.544 2.012 62.117 1127 H HIS 64 H HIS 64 54.764 4.725 62.469 1128 HA HIS 64 HA HIS 64 56.820 2.967 63.588 1129 1HB HIS 64 2HB HIS 64 57.755 5.155 64.545 1130 2HB HIS 64 1HB HIS 64 57.911 4.872 62.820 1131 HD1 HIS 64 HD1 HIS 64 57.534 6.905 61.545 1132 HD2 HIS 64 HD2 HIS 64 55.191 6.821 64.983 1133 HE1 HIS 64 HE1 HIS 64 56.221 9.050 61.523 1134 HE2 HIS 64 HE2 HIS 64 54.884 9.030 63.660 1135 H HIS 65 H HIS 65 54.626 2.148 64.607 1136 HA HIS 65 HA HIS 65 53.870 3.426 67.036 1137 1HB HIS 65 2HB HIS 65 52.804 1.279 67.638 1138 2HB HIS 65 1HB HIS 65 52.370 1.783 66.013 1139 HD1 HIS 65 HD1 HIS 65 53.341 -1.111 67.841 1140 HD2 HIS 65 HD2 HIS 65 54.133 0.338 64.022 1141 HE1 HIS 65 HE1 HIS 65 54.085 -3.104 66.499 1142 HE2 HIS 65 HE2 HIS 65 54.380 -2.230 64.150 1143 H HIS 66 H HIS 66 55.063 3.638 68.806 1144 HA HIS 66 HA HIS 66 57.582 2.161 68.894 1145 1HB HIS 66 2HB HIS 66 56.690 4.522 70.563 1146 2HB HIS 66 1HB HIS 66 58.310 3.836 70.520 1147 HD1 HIS 66 HD1 HIS 66 56.512 6.588 69.278 1148 HD2 HIS 66 HD2 HIS 66 59.299 3.991 67.613 1149 HE1 HIS 66 HE1 HIS 66 57.454 7.794 67.284 1150 HE2 HIS 66 HE2 HIS 66 59.325 6.319 66.476 1151 H HIS 67 H HIS 67 57.220 0.202 69.832 1152 HA HIS 67 HA HIS 67 55.689 0.004 72.260 1153 1HB HIS 67 2HB HIS 67 55.782 -1.923 70.759 1154 2HB HIS 67 1HB HIS 67 57.531 -2.005 70.935 1155 HD1 HIS 67 HD1 HIS 67 54.358 -3.008 72.576 1156 HD2 HIS 67 HD2 HIS 67 58.415 -2.955 73.478 1157 HE1 HIS 67 HE1 HIS 67 54.610 -4.413 74.643 1158 HE2 HIS 67 HE2 HIS 67 57.028 -4.140 75.307 1159 H HIS 68 H HIS 68 56.424 0.822 74.074 1160 HA HIS 68 HA HIS 68 59.302 0.580 74.634 1161 1HB HIS 68 2HB HIS 68 59.025 2.422 76.252 1162 2HB HIS 68 1HB HIS 68 58.568 2.910 74.626 1163 HD1 HIS 68 HD1 HIS 68 57.256 2.496 78.060 1164 HD2 HIS 68 HD2 HIS 68 55.785 3.377 74.273 1165 HE1 HIS 68 HE1 HIS 68 54.938 3.397 78.423 1166 HE2 HIS 68 HE2 HIS 68 54.168 4.141 76.144 1167 H HIS 69 H HIS 69 59.945 -0.623 76.301 1168 HA HIS 69 HA HIS 69 59.890 -2.214 77.909 1169 1HB HIS 69 2HB HIS 69 58.898 -0.451 79.320 1170 2HB HIS 69 1HB HIS 69 57.296 -0.880 78.735 1171 HD1 HIS 69 HD1 HIS 69 56.484 -3.367 79.401 1172 HD2 HIS 69 HD2 HIS 69 59.746 -1.879 81.501 1173 HE1 HIS 69 HE1 HIS 69 56.652 -4.779 81.478 1174 HE2 HIS 69 HE2 HIS 69 58.777 -4.017 82.591 Start of MODEL 15 1 1H MET 1 1H MET 1 -2.863 10.817 1.082 2 2H MET 1 2H MET 1 -3.328 9.276 0.546 3 3H MET 1 3H MET 1 -1.711 9.580 0.944 4 HA MET 1 HA MET 1 -2.261 9.895 3.240 5 1HB MET 1 2HB MET 1 -4.546 9.448 4.038 6 2HB MET 1 1HB MET 1 -4.505 10.828 2.950 7 1HG MET 1 2HG MET 1 -5.517 9.618 1.209 8 2HG MET 1 1HG MET 1 -5.216 8.073 2.001 9 1HE MET 1 1HE MET 1 -6.607 7.096 3.968 10 2HE MET 1 2HE MET 1 -7.782 8.023 4.900 11 3HE MET 1 3HE MET 1 -6.073 8.456 4.956 12 HA PRO 2 HA PRO 2 -1.699 5.486 3.510 13 1HB PRO 2 2HB PRO 2 -1.879 5.140 6.190 14 2HB PRO 2 1HB PRO 2 -0.478 5.901 5.425 15 1HG PRO 2 2HG PRO 2 -2.814 7.177 6.796 16 2HG PRO 2 1HG PRO 2 -1.093 7.593 6.900 17 1HD PRO 2 2HD PRO 2 -2.865 8.955 5.351 18 2HD PRO 2 1HD PRO 2 -1.143 8.806 4.955 19 H LYS 3 H LYS 3 -3.324 4.286 2.700 20 HA LYS 3 HA LYS 3 -5.587 3.673 4.429 21 1HB LYS 3 2HB LYS 3 -7.226 4.061 2.640 22 2HB LYS 3 1HB LYS 3 -6.394 5.547 3.079 23 1HG LYS 3 2HG LYS 3 -4.979 5.382 1.128 24 2HG LYS 3 1HG LYS 3 -5.705 3.832 0.701 25 1HD LYS 3 2HD LYS 3 -7.249 6.403 0.934 26 2HD LYS 3 1HD LYS 3 -6.578 5.794 -0.577 27 1HE LYS 3 2HE LYS 3 -7.921 3.753 -0.329 28 2HE LYS 3 1HE LYS 3 -8.595 4.396 1.168 29 1HZ LYS 3 1HZ LYS 3 -10.115 4.770 -0.627 30 2HZ LYS 3 2HZ LYS 3 -8.929 5.556 -1.548 31 3HZ LYS 3 3HZ LYS 3 -9.497 6.265 -0.115 32 H ILE 4 H ILE 4 -6.965 1.924 3.315 33 HA ILE 4 HA ILE 4 -5.185 0.070 1.952 34 HB ILE 4 HB ILE 4 -6.503 -1.705 2.816 35 1HG1 ILE 4 2HG1 ILE 4 -8.694 -0.391 2.668 36 2HG1 ILE 4 1HG1 ILE 4 -8.500 -1.519 3.989 37 1HG2 ILE 4 1HG2 ILE 4 -4.814 -0.823 4.322 38 2HG2 ILE 4 2HG2 ILE 4 -6.196 -1.444 5.224 39 3HG2 ILE 4 3HG2 ILE 4 -5.997 0.294 5.002 40 1HD1 ILE 4 1HD1 ILE 4 -7.714 0.488 5.355 41 2HD1 ILE 4 2HD1 ILE 4 -9.436 0.326 5.005 42 3HD1 ILE 4 3HD1 ILE 4 -8.454 1.453 4.076 43 H ILE 5 H ILE 5 -5.886 -0.943 0.109 44 HA ILE 5 HA ILE 5 -8.243 0.269 -1.180 45 HB ILE 5 HB ILE 5 -6.198 -1.351 -2.648 46 1HG1 ILE 5 2HG1 ILE 5 -5.967 1.622 -2.148 47 2HG1 ILE 5 1HG1 ILE 5 -5.015 0.412 -1.291 48 1HG2 ILE 5 1HG2 ILE 5 -7.970 0.959 -3.440 49 2HG2 ILE 5 2HG2 ILE 5 -8.253 -0.743 -3.801 50 3HG2 ILE 5 3HG2 ILE 5 -6.876 0.094 -4.519 51 1HD1 ILE 5 1HD1 ILE 5 -4.013 -0.299 -3.380 52 2HD1 ILE 5 2HD1 ILE 5 -3.772 1.431 -3.129 53 3HD1 ILE 5 3HD1 ILE 5 -5.000 0.866 -4.263 54 H GLU 6 H GLU 6 -9.779 -1.043 -2.115 55 HA GLU 6 HA GLU 6 -9.661 -3.891 -1.445 56 1HB GLU 6 2HB GLU 6 -11.979 -2.151 -2.296 57 2HB GLU 6 1HB GLU 6 -12.086 -3.872 -1.972 58 1HG GLU 6 2HG GLU 6 -11.406 -3.489 0.333 59 2HG GLU 6 1HG GLU 6 -11.291 -1.761 0.014 60 H ALA 7 H ALA 7 -9.190 -5.286 -2.981 61 HA ALA 7 HA ALA 7 -9.863 -4.691 -5.790 62 1HB ALA 7 1HB ALA 7 -7.555 -3.922 -5.471 63 2HB ALA 7 2HB ALA 7 -7.602 -5.348 -6.509 64 3HB ALA 7 3HB ALA 7 -7.100 -5.499 -4.826 65 H VAL 8 H VAL 8 -9.536 -6.732 -7.115 66 HA VAL 8 HA VAL 8 -9.603 -9.170 -5.506 67 HB VAL 8 HB VAL 8 -11.166 -10.075 -7.257 68 1HG1 VAL 8 1HG1 VAL 8 -12.163 -7.810 -5.542 69 2HG1 VAL 8 2HG1 VAL 8 -11.966 -9.491 -5.045 70 3HG1 VAL 8 3HG1 VAL 8 -13.173 -9.067 -6.259 71 1HG2 VAL 8 1HG2 VAL 8 -10.795 -8.390 -8.982 72 2HG2 VAL 8 2HG2 VAL 8 -11.518 -7.166 -7.938 73 3HG2 VAL 8 3HG2 VAL 8 -12.501 -8.498 -8.546 74 H TYR 9 H TYR 9 -8.147 -10.617 -6.085 75 HA TYR 9 HA TYR 9 -6.347 -10.423 -8.248 76 1HB TYR 9 2HB TYR 9 -5.974 -11.808 -6.234 77 2HB TYR 9 1HB TYR 9 -7.305 -12.858 -6.692 78 HD1 TYR 9 HD1 TYR 9 -7.048 -14.169 -8.912 79 HD2 TYR 9 HD2 TYR 9 -3.806 -12.274 -6.917 80 HE1 TYR 9 HE1 TYR 9 -5.472 -15.642 -10.086 81 HE2 TYR 9 HE2 TYR 9 -2.224 -13.739 -8.092 82 HH TYR 9 HH TYR 9 -3.119 -15.632 -10.760 83 H GLU 10 H GLU 10 -6.560 -10.900 -10.320 84 HA GLU 10 HA GLU 10 -8.828 -12.509 -11.220 85 1HB GLU 10 2HB GLU 10 -9.378 -10.070 -11.253 86 2HB GLU 10 1HB GLU 10 -8.099 -9.858 -12.420 87 1HG GLU 10 2HG GLU 10 -9.227 -11.225 -14.016 88 2HG GLU 10 1HG GLU 10 -10.460 -11.667 -12.838 89 H ASN 11 H ASN 11 -7.893 -14.071 -12.153 90 HA ASN 11 HA ASN 11 -6.731 -15.304 -13.674 91 1HB ASN 11 2HB ASN 11 -8.037 -13.468 -15.052 92 2HB ASN 11 1HB ASN 11 -6.414 -12.917 -15.418 93 1HD2 ASN 11 1HD2 ASN 11 -6.701 -13.403 -17.606 94 2HD2 ASN 11 2HD2 ASN 11 -6.663 -15.039 -18.185 95 H GLY 12 H GLY 12 -5.179 -13.917 -11.637 96 1HA GLY 12 2HA GLY 12 -2.653 -13.993 -11.795 97 2HA GLY 12 1HA GLY 12 -2.873 -13.058 -13.266 98 H VAL 13 H VAL 13 -4.495 -11.197 -12.816 99 HA VAL 13 HA VAL 13 -2.613 -9.579 -11.217 100 HB VAL 13 HB VAL 13 -3.273 -7.709 -12.617 101 1HG1 VAL 13 1HG1 VAL 13 -1.505 -9.179 -13.402 102 2HG1 VAL 13 2HG1 VAL 13 -2.438 -8.554 -14.763 103 3HG1 VAL 13 3HG1 VAL 13 -2.700 -10.205 -14.199 104 1HG2 VAL 13 1HG2 VAL 13 -5.148 -9.658 -13.965 105 2HG2 VAL 13 2HG2 VAL 13 -4.805 -8.016 -14.510 106 3HG2 VAL 13 3HG2 VAL 13 -5.622 -8.279 -12.970 107 H PHE 14 H PHE 14 -3.290 -7.972 -9.787 108 HA PHE 14 HA PHE 14 -5.907 -8.474 -8.640 109 1HB PHE 14 2HB PHE 14 -3.583 -6.766 -7.757 110 2HB PHE 14 1HB PHE 14 -5.109 -6.841 -6.894 111 HD1 PHE 14 HD1 PHE 14 -5.804 -8.915 -5.776 112 HD2 PHE 14 HD2 PHE 14 -1.969 -8.540 -7.588 113 HE1 PHE 14 HE1 PHE 14 -5.014 -10.866 -4.507 114 HE2 PHE 14 HE2 PHE 14 -1.185 -10.500 -6.326 115 HZ PHE 14 HZ PHE 14 -2.710 -11.668 -4.782 116 H LYS 15 H LYS 15 -7.590 -7.408 -9.292 117 HA LYS 15 HA LYS 15 -7.307 -4.753 -10.512 118 1HB LYS 15 2HB LYS 15 -9.615 -6.707 -10.527 119 2HB LYS 15 1HB LYS 15 -9.566 -5.182 -11.379 120 1HG LYS 15 2HG LYS 15 -7.670 -7.448 -11.904 121 2HG LYS 15 1HG LYS 15 -9.184 -7.212 -12.775 122 1HD LYS 15 2HD LYS 15 -8.369 -4.949 -13.437 123 2HD LYS 15 1HD LYS 15 -6.810 -5.355 -12.710 124 1HE LYS 15 2HE LYS 15 -6.691 -5.776 -15.076 125 2HE LYS 15 1HE LYS 15 -6.678 -7.318 -14.218 126 1HZ LYS 15 1HZ LYS 15 -8.144 -7.375 -16.147 127 2HZ LYS 15 2HZ LYS 15 -9.048 -6.084 -15.524 128 3HZ LYS 15 3HZ LYS 15 -9.035 -7.578 -14.713 129 HA PRO 16 HA PRO 16 -9.109 -3.320 -6.594 130 1HB PRO 16 2HB PRO 16 -9.459 -0.730 -7.496 131 2HB PRO 16 1HB PRO 16 -8.012 -1.337 -6.690 132 1HG PRO 16 2HG PRO 16 -8.526 -0.911 -9.595 133 2HG PRO 16 1HG PRO 16 -7.028 -0.693 -8.674 134 1HD PRO 16 2HD PRO 16 -7.466 -2.822 -10.274 135 2HD PRO 16 1HD PRO 16 -6.489 -2.931 -8.796 136 H LEU 17 H LEU 17 -11.117 -2.264 -6.015 137 HA LEU 17 HA LEU 17 -13.220 -2.741 -8.002 138 1HB LEU 17 2HB LEU 17 -13.300 -2.486 -5.002 139 2HB LEU 17 1HB LEU 17 -14.752 -2.414 -5.977 140 HG LEU 17 HG LEU 17 -14.045 -4.716 -6.876 141 1HD1 LEU 17 1HD1 LEU 17 -12.694 -6.060 -5.361 142 2HD1 LEU 17 2HD1 LEU 17 -12.349 -4.626 -4.394 143 3HD1 LEU 17 3HD1 LEU 17 -11.770 -4.730 -6.056 144 1HD2 LEU 17 1HD2 LEU 17 -15.945 -4.348 -5.395 145 2HD2 LEU 17 2HD2 LEU 17 -14.879 -4.416 -3.992 146 3HD2 LEU 17 3HD2 LEU 17 -15.112 -5.848 -4.997 147 H GLN 18 H GLN 18 -11.323 -0.390 -6.717 148 HA GLN 18 HA GLN 18 -13.082 1.664 -7.819 149 1HB GLN 18 2HB GLN 18 -12.802 3.174 -5.898 150 2HB GLN 18 1HB GLN 18 -13.713 1.734 -5.489 151 1HG GLN 18 2HG GLN 18 -10.777 1.953 -4.944 152 2HG GLN 18 1HG GLN 18 -11.984 2.579 -3.821 153 1HE2 GLN 18 1HE2 GLN 18 -10.035 0.401 -3.561 154 2HE2 GLN 18 2HE2 GLN 18 -10.957 -1.006 -3.157 155 H LYS 19 H LYS 19 -11.947 3.866 -7.760 156 HA LYS 19 HA LYS 19 -9.665 3.611 -9.366 157 1HB LYS 19 2HB LYS 19 -11.143 5.453 -9.668 158 2HB LYS 19 1HB LYS 19 -10.933 5.963 -8.006 159 1HG LYS 19 2HG LYS 19 -9.753 7.425 -9.489 160 2HG LYS 19 1HG LYS 19 -8.614 6.550 -8.472 161 1HD LYS 19 2HD LYS 19 -8.146 5.014 -10.314 162 2HD LYS 19 1HD LYS 19 -9.315 5.862 -11.328 163 1HE LYS 19 2HE LYS 19 -7.988 7.898 -11.178 164 2HE LYS 19 1HE LYS 19 -6.827 7.079 -10.136 165 1HZ LYS 19 1HZ LYS 19 -6.145 5.700 -11.902 166 2HZ LYS 19 2HZ LYS 19 -6.203 7.270 -12.534 167 3HZ LYS 19 3HZ LYS 19 -7.446 6.168 -12.886 168 H VAL 20 H VAL 20 -7.680 3.414 -8.902 169 HA VAL 20 HA VAL 20 -6.514 4.629 -6.513 170 HB VAL 20 HB VAL 20 -6.614 2.294 -6.083 171 1HG1 VAL 20 1HG1 VAL 20 -5.231 1.922 -8.719 172 2HG1 VAL 20 2HG1 VAL 20 -6.861 1.394 -8.297 173 3HG1 VAL 20 3HG1 VAL 20 -5.464 0.644 -7.525 174 1HG2 VAL 20 1HG2 VAL 20 -3.813 3.015 -6.874 175 2HG2 VAL 20 2HG2 VAL 20 -4.284 1.808 -5.679 176 3HG2 VAL 20 3HG2 VAL 20 -4.602 3.515 -5.379 177 H ASP 21 H ASP 21 -4.749 5.602 -6.712 178 HA ASP 21 HA ASP 21 -3.085 5.245 -9.050 179 1HB ASP 21 2HB ASP 21 -4.643 7.034 -9.659 180 2HB ASP 21 1HB ASP 21 -4.128 7.945 -8.251 181 H LEU 22 H LEU 22 -1.895 4.316 -7.497 182 HA LEU 22 HA LEU 22 -0.373 6.126 -5.770 183 1HB LEU 22 2HB LEU 22 -0.354 3.119 -5.978 184 2HB LEU 22 1HB LEU 22 0.494 4.066 -4.787 185 HG LEU 22 HG LEU 22 -2.504 4.004 -5.040 186 1HD1 LEU 22 1HD1 LEU 22 -1.622 1.813 -4.410 187 2HD1 LEU 22 2HD1 LEU 22 -2.488 2.580 -3.080 188 3HD1 LEU 22 3HD1 LEU 22 -0.725 2.557 -3.086 189 1HD2 LEU 22 1HD2 LEU 22 -0.687 5.085 -2.890 190 2HD2 LEU 22 2HD2 LEU 22 -2.449 5.043 -2.825 191 3HD2 LEU 22 3HD2 LEU 22 -1.634 6.041 -4.029 192 H LYS 23 H LYS 23 -0.362 4.914 -8.694 193 HA LYS 23 HA LYS 23 0.816 5.585 -10.500 194 1HB LYS 23 2HB LYS 23 3.064 5.954 -8.557 195 2HB LYS 23 1HB LYS 23 3.196 6.145 -10.285 196 1HG LYS 23 2HG LYS 23 2.711 8.271 -9.993 197 2HG LYS 23 1HG LYS 23 1.068 7.754 -9.602 198 1HD LYS 23 2HD LYS 23 2.100 9.222 -7.908 199 2HD LYS 23 1HD LYS 23 1.586 7.667 -7.267 200 1HE LYS 23 2HE LYS 23 4.233 7.318 -8.124 201 2HE LYS 23 1HE LYS 23 4.209 8.871 -7.287 202 1HZ LYS 23 1HZ LYS 23 4.671 7.043 -5.761 203 2HZ LYS 23 2HZ LYS 23 3.223 6.287 -6.186 204 3HZ LYS 23 3HZ LYS 23 3.193 7.778 -5.375 205 H GLU 24 H GLU 24 2.851 4.837 -11.633 206 HA GLU 24 HA GLU 24 2.523 1.983 -11.701 207 1HB GLU 24 2HB GLU 24 4.431 3.570 -13.405 208 2HB GLU 24 1HB GLU 24 3.612 2.071 -13.778 209 1HG GLU 24 2HG GLU 24 2.335 3.453 -15.018 210 2HG GLU 24 1HG GLU 24 1.470 3.597 -13.487 211 H GLY 25 H GLY 25 3.945 0.458 -11.295 212 1HA GLY 25 2HA GLY 25 5.383 -0.530 -9.818 213 2HA GLY 25 1HA GLY 25 6.561 0.635 -10.413 214 H GLU 26 H GLU 26 3.629 0.746 -8.503 215 HA GLU 26 HA GLU 26 5.084 2.084 -6.370 216 1HB GLU 26 2HB GLU 26 3.164 3.285 -7.393 217 2HB GLU 26 1HB GLU 26 2.107 1.955 -6.961 218 1HG GLU 26 2HG GLU 26 2.099 3.962 -5.529 219 2HG GLU 26 1HG GLU 26 2.254 2.433 -4.715 220 H ARG 27 H ARG 27 4.952 1.186 -4.269 221 HA ARG 27 HA ARG 27 4.607 -1.705 -4.557 222 1HB ARG 27 2HB ARG 27 6.882 -0.801 -4.129 223 2HB ARG 27 1HB ARG 27 6.327 -0.317 -2.535 224 1HG ARG 27 2HG ARG 27 6.143 -2.498 -1.793 225 2HG ARG 27 1HG ARG 27 6.030 -3.149 -3.431 226 1HD ARG 27 2HD ARG 27 8.383 -2.450 -3.802 227 2HD ARG 27 1HD ARG 27 8.470 -1.994 -2.099 228 HE ARG 27 HE ARG 27 7.863 -4.450 -1.708 229 1HH1 ARG 27 1HH1 ARG 27 9.786 -3.289 -4.402 230 2HH1 ARG 27 2HH1 ARG 27 10.620 -4.800 -4.606 231 1HH2 ARG 27 1HH2 ARG 27 8.975 -6.409 -1.957 232 2HH2 ARG 27 2HH2 ARG 27 10.158 -6.577 -3.235 233 H VAL 28 H VAL 28 3.192 -2.664 -3.640 234 HA VAL 28 HA VAL 28 1.991 -1.786 -1.112 235 HB VAL 28 HB VAL 28 -0.250 -2.417 -2.064 236 1HG1 VAL 28 1HG1 VAL 28 1.166 -0.121 -3.419 237 2HG1 VAL 28 2HG1 VAL 28 0.396 -0.077 -1.833 238 3HG1 VAL 28 3HG1 VAL 28 -0.583 -0.316 -3.281 239 1HG2 VAL 28 1HG2 VAL 28 0.543 -3.771 -3.934 240 2HG2 VAL 28 2HG2 VAL 28 1.246 -2.338 -4.687 241 3HG2 VAL 28 3HG2 VAL 28 -0.503 -2.466 -4.497 242 H LYS 29 H LYS 29 0.866 -3.555 -0.000 243 HA LYS 29 HA LYS 29 1.709 -6.171 -0.999 244 1HB LYS 29 2HB LYS 29 1.740 -5.136 1.808 245 2HB LYS 29 1HB LYS 29 1.736 -6.850 1.443 246 1HG LYS 29 2HG LYS 29 3.750 -6.484 0.028 247 2HG LYS 29 1HG LYS 29 3.800 -4.827 0.625 248 1HD LYS 29 2HD LYS 29 3.889 -5.807 2.948 249 2HD LYS 29 1HD LYS 29 4.154 -7.375 2.182 250 1HE LYS 29 2HE LYS 29 6.130 -6.487 1.045 251 2HE LYS 29 1HE LYS 29 5.867 -4.918 1.804 252 1HZ LYS 29 1HZ LYS 29 6.546 -7.464 3.169 253 2HZ LYS 29 2HZ LYS 29 6.162 -6.020 3.972 254 3HZ LYS 29 3HZ LYS 29 7.542 -6.107 2.990 255 H ILE 30 H ILE 30 0.386 -7.768 -0.919 256 HA ILE 30 HA ILE 30 -2.473 -7.140 -0.578 257 HB ILE 30 HB ILE 30 -1.405 -9.545 -2.025 258 1HG1 ILE 30 2HG1 ILE 30 -0.279 -7.568 -3.016 259 2HG1 ILE 30 1HG1 ILE 30 -1.403 -8.318 -4.135 260 1HG2 ILE 30 1HG2 ILE 30 -3.516 -9.345 -3.252 261 2HG2 ILE 30 2HG2 ILE 30 -3.914 -7.913 -2.304 262 3HG2 ILE 30 3HG2 ILE 30 -3.763 -9.480 -1.511 263 1HD1 ILE 30 1HD1 ILE 30 -1.951 -5.862 -2.507 264 2HD1 ILE 30 2HD1 ILE 30 -3.049 -6.604 -3.671 265 3HD1 ILE 30 3HD1 ILE 30 -1.529 -5.893 -4.218 266 H LYS 31 H LYS 31 -3.757 -8.561 0.531 267 HA LYS 31 HA LYS 31 -2.740 -11.044 1.469 268 1HB LYS 31 2HB LYS 31 -3.239 -10.540 3.805 269 2HB LYS 31 1HB LYS 31 -1.889 -9.610 3.190 270 1HG LYS 31 2HG LYS 31 -3.756 -7.843 2.729 271 2HG LYS 31 1HG LYS 31 -4.606 -8.754 3.976 272 1HD LYS 31 2HD LYS 31 -3.483 -7.123 5.171 273 2HD LYS 31 1HD LYS 31 -2.428 -8.524 5.321 274 1HE LYS 31 2HE LYS 31 -1.067 -7.681 3.448 275 2HE LYS 31 1HE LYS 31 -2.099 -6.257 3.355 276 1HZ LYS 31 1HZ LYS 31 -1.439 -5.803 5.719 277 2HZ LYS 31 2HZ LYS 31 -0.191 -5.649 4.583 278 3HZ LYS 31 3HZ LYS 31 -0.273 -7.024 5.564 279 H LEU 32 H LEU 32 -4.480 -12.183 2.695 280 HA LEU 32 HA LEU 32 -6.857 -11.821 1.048 281 1HB LEU 32 2HB LEU 32 -5.847 -14.183 2.617 282 2HB LEU 32 1HB LEU 32 -7.327 -14.174 1.692 283 HG LEU 32 HG LEU 32 -4.658 -13.615 0.419 284 1HD1 LEU 32 1HD1 LEU 32 -4.652 -15.930 -0.350 285 2HD1 LEU 32 2HD1 LEU 32 -6.057 -16.269 0.662 286 3HD1 LEU 32 3HD1 LEU 32 -4.520 -15.824 1.406 287 1HD2 LEU 32 1HD2 LEU 32 -5.855 -14.255 -1.620 288 2HD2 LEU 32 2HD2 LEU 32 -6.605 -12.876 -0.816 289 3HD2 LEU 32 3HD2 LEU 32 -7.327 -14.478 -0.675 290 H GLU 33 H GLU 33 -8.593 -10.982 1.919 291 HA GLU 33 HA GLU 33 -8.543 -10.480 4.766 292 1HB GLU 33 2HB GLU 33 -10.391 -9.478 2.629 293 2HB GLU 33 1HB GLU 33 -10.367 -8.938 4.286 294 1HG GLU 33 2HG GLU 33 -7.933 -8.742 2.569 295 2HG GLU 33 1HG GLU 33 -9.178 -7.495 2.542 296 H LEU 34 H LEU 34 -9.838 -11.299 6.183 297 HA LEU 34 HA LEU 34 -12.222 -12.743 5.535 298 1HB LEU 34 2HB LEU 34 -11.215 -14.777 6.824 299 2HB LEU 34 1HB LEU 34 -10.957 -14.604 5.101 300 HG LEU 34 HG LEU 34 -8.756 -13.509 5.679 301 1HD1 LEU 34 1HD1 LEU 34 -9.171 -12.986 8.005 302 2HD1 LEU 34 2HD1 LEU 34 -7.774 -14.049 7.850 303 3HD1 LEU 34 3HD1 LEU 34 -9.322 -14.704 8.380 304 1HD2 LEU 34 1HD2 LEU 34 -8.935 -15.777 4.806 305 2HD2 LEU 34 2HD2 LEU 34 -9.139 -16.393 6.447 306 3HD2 LEU 34 3HD2 LEU 34 -7.617 -15.641 5.969 307 H LYS 35 H LYS 35 -12.570 -14.158 7.826 308 HA LYS 35 HA LYS 35 -12.305 -12.176 9.976 309 1HB LYS 35 2HB LYS 35 -14.486 -14.078 9.216 310 2HB LYS 35 1HB LYS 35 -14.316 -13.570 10.879 311 1HG LYS 35 2HG LYS 35 -14.601 -11.247 10.227 312 2HG LYS 35 1HG LYS 35 -14.706 -11.730 8.532 313 1HD LYS 35 2HD LYS 35 -16.923 -11.314 9.562 314 2HD LYS 35 1HD LYS 35 -16.739 -12.960 8.957 315 1HE LYS 35 2HE LYS 35 -17.834 -12.964 11.119 316 2HE LYS 35 1HE LYS 35 -16.255 -13.733 11.234 317 1HZ LYS 35 1HZ LYS 35 -15.372 -11.666 12.157 318 2HZ LYS 35 2HZ LYS 35 -16.644 -12.267 13.102 319 3HZ LYS 35 3HZ LYS 35 -16.908 -10.953 12.067 320 H VAL 36 H VAL 36 -12.404 -13.267 12.195 321 HA VAL 36 HA VAL 36 -10.534 -15.464 12.300 322 HB VAL 36 HB VAL 36 -12.138 -14.411 14.618 323 1HG1 VAL 36 1HG1 VAL 36 -9.437 -15.728 14.458 324 2HG1 VAL 36 2HG1 VAL 36 -10.930 -16.464 15.041 325 3HG1 VAL 36 3HG1 VAL 36 -10.196 -15.129 15.930 326 1HG2 VAL 36 1HG2 VAL 36 -9.542 -13.304 13.562 327 2HG2 VAL 36 2HG2 VAL 36 -10.309 -12.850 15.083 328 3HG2 VAL 36 3HG2 VAL 36 -11.107 -12.487 13.553 329 H GLU 37 H GLU 37 -11.045 -17.578 12.538 330 HA GLU 37 HA GLU 37 -13.843 -18.224 12.226 331 1HB GLU 37 2HB GLU 37 -13.065 -20.355 11.430 332 2HB GLU 37 1HB GLU 37 -12.330 -19.040 10.547 333 1HG GLU 37 2HG GLU 37 -10.931 -20.309 12.851 334 2HG GLU 37 1HG GLU 37 -10.929 -21.046 11.261 335 HA PRO 38 HA PRO 38 -13.941 -20.264 16.212 336 1HB PRO 38 2HB PRO 38 -16.482 -21.124 16.073 337 2HB PRO 38 1HB PRO 38 -16.091 -19.427 16.377 338 1HG PRO 38 2HG PRO 38 -16.993 -20.741 13.852 339 2HG PRO 38 1HG PRO 38 -17.417 -19.149 14.508 340 1HD PRO 38 2HD PRO 38 -15.533 -19.596 12.527 341 2HD PRO 38 1HD PRO 38 -15.607 -18.157 13.558 342 H ILE 39 H ILE 39 -14.777 -22.561 16.848 343 HA ILE 39 HA ILE 39 -13.574 -24.381 14.960 344 HB ILE 39 HB ILE 39 -13.927 -26.059 16.856 345 1HG1 ILE 39 2HG1 ILE 39 -13.886 -24.872 19.132 346 2HG1 ILE 39 1HG1 ILE 39 -14.582 -23.496 18.292 347 1HG2 ILE 39 1HG2 ILE 39 -11.770 -25.191 16.260 348 2HG2 ILE 39 2HG2 ILE 39 -11.905 -25.245 18.019 349 3HG2 ILE 39 3HG2 ILE 39 -12.080 -23.711 17.167 350 1HD1 ILE 39 1HD1 ILE 39 -15.792 -26.242 18.463 351 2HD1 ILE 39 2HD1 ILE 39 -16.514 -24.838 17.678 352 3HD1 ILE 39 3HD1 ILE 39 -16.266 -24.845 19.425 353 H ASP 40 H ASP 40 -14.511 -26.223 14.138 354 HA ASP 40 HA ASP 40 -17.400 -26.120 13.878 355 1HB ASP 40 2HB ASP 40 -17.027 -27.521 11.938 356 2HB ASP 40 1HB ASP 40 -15.956 -26.138 11.856 357 H LEU 41 H LEU 41 -18.486 -28.278 13.676 358 HA LEU 41 HA LEU 41 -17.414 -30.228 15.575 359 1HB LEU 41 2HB LEU 41 -19.610 -31.297 15.489 360 2HB LEU 41 1HB LEU 41 -19.753 -29.611 15.927 361 HG LEU 41 HG LEU 41 -20.239 -30.569 13.109 362 1HD1 LEU 41 1HD1 LEU 41 -22.626 -30.576 13.647 363 2HD1 LEU 41 2HD1 LEU 41 -22.244 -30.279 15.343 364 3HD1 LEU 41 3HD1 LEU 41 -21.748 -31.788 14.578 365 1HD2 LEU 41 1HD2 LEU 41 -21.138 -28.111 14.618 366 2HD2 LEU 41 2HD2 LEU 41 -21.532 -28.498 12.943 367 3HD2 LEU 41 3HD2 LEU 41 -19.861 -28.167 13.401 368 H GLY 42 H GLY 42 -16.668 -32.199 14.887 369 1HA GLY 42 2HA GLY 42 -15.948 -32.192 12.101 370 2HA GLY 42 1HA GLY 42 -15.319 -33.259 13.343 371 H GLU 43 H GLU 43 -15.489 -34.993 12.020 372 HA GLU 43 HA GLU 43 -18.181 -35.883 11.286 373 1HB GLU 43 2HB GLU 43 -17.003 -37.003 9.363 374 2HB GLU 43 1HB GLU 43 -17.029 -35.250 9.290 375 1HG GLU 43 2HG GLU 43 -14.721 -35.343 10.363 376 2HG GLU 43 1HG GLU 43 -14.740 -37.063 9.985 377 HA PRO 44 HA PRO 44 -16.863 -39.672 13.281 378 1HB PRO 44 2HB PRO 44 -19.007 -41.178 12.760 379 2HB PRO 44 1HB PRO 44 -19.114 -39.763 13.813 380 1HG PRO 44 2HG PRO 44 -20.082 -40.131 11.037 381 2HG PRO 44 1HG PRO 44 -20.698 -39.070 12.313 382 1HD PRO 44 2HD PRO 44 -18.962 -38.379 10.145 383 2HD PRO 44 1HD PRO 44 -19.516 -37.332 11.467 384 H VAL 45 H VAL 45 -16.524 -42.012 12.812 385 HA VAL 45 HA VAL 45 -16.175 -42.543 9.937 386 HB VAL 45 HB VAL 45 -14.016 -42.454 10.925 387 1HG1 VAL 45 1HG1 VAL 45 -14.969 -44.467 12.952 388 2HG1 VAL 45 2HG1 VAL 45 -14.612 -42.767 13.264 389 3HG1 VAL 45 3HG1 VAL 45 -13.318 -43.872 12.796 390 1HG2 VAL 45 1HG2 VAL 45 -13.142 -44.703 10.510 391 2HG2 VAL 45 2HG2 VAL 45 -14.285 -44.187 9.269 392 3HG2 VAL 45 3HG2 VAL 45 -14.791 -45.328 10.518 393 H SER 46 H SER 46 -16.600 -44.615 9.211 394 HA SER 46 HA SER 46 -18.483 -46.116 10.888 395 1HB SER 46 2HB SER 46 -18.620 -45.595 7.912 396 2HB SER 46 1HB SER 46 -19.768 -46.535 8.845 397 HG SER 46 HG SER 46 -19.875 -44.419 10.140 398 H VAL 47 H VAL 47 -18.925 -48.333 9.795 399 HA VAL 47 HA VAL 47 -18.284 -50.408 9.259 400 HB VAL 47 HB VAL 47 -17.417 -48.971 7.194 401 1HG1 VAL 47 1HG1 VAL 47 -14.899 -50.309 8.183 402 2HG1 VAL 47 2HG1 VAL 47 -15.176 -48.570 8.091 403 3HG1 VAL 47 3HG1 VAL 47 -15.112 -49.532 6.614 404 1HG2 VAL 47 1HG2 VAL 47 -18.369 -51.205 7.099 405 2HG2 VAL 47 2HG2 VAL 47 -16.834 -51.897 7.625 406 3HG2 VAL 47 3HG2 VAL 47 -16.949 -51.090 6.061 407 H GLU 48 H GLU 48 -16.822 -52.098 9.682 408 HA GLU 48 HA GLU 48 -15.391 -53.302 10.866 409 1HB GLU 48 2HB GLU 48 -13.801 -50.775 10.699 410 2HB GLU 48 1HB GLU 48 -13.201 -52.229 11.468 411 1HG GLU 48 2HG GLU 48 -14.102 -52.038 8.613 412 2HG GLU 48 1HG GLU 48 -12.426 -52.017 9.163 413 H GLU 49 H GLU 49 -16.049 -50.202 12.339 414 HA GLU 49 HA GLU 49 -15.481 -51.035 14.999 415 1HB GLU 49 2HB GLU 49 -15.617 -48.642 14.169 416 2HB GLU 49 1HB GLU 49 -17.362 -48.834 14.160 417 1HG GLU 49 2HG GLU 49 -16.767 -47.717 16.166 418 2HG GLU 49 1HG GLU 49 -17.257 -49.359 16.584 419 H ILE 50 H ILE 50 -18.131 -51.345 12.861 420 HA ILE 50 HA ILE 50 -20.023 -52.091 14.941 421 HB ILE 50 HB ILE 50 -20.507 -52.231 11.966 422 1HG1 ILE 50 2HG1 ILE 50 -19.689 -49.971 12.490 423 2HG1 ILE 50 1HG1 ILE 50 -21.396 -49.942 12.069 424 1HG2 ILE 50 1HG2 ILE 50 -22.374 -51.833 14.310 425 2HG2 ILE 50 2HG2 ILE 50 -22.163 -53.321 13.388 426 3HG2 ILE 50 3HG2 ILE 50 -22.846 -51.896 12.610 427 1HD1 ILE 50 1HD1 ILE 50 -21.955 -49.811 14.459 428 2HD1 ILE 50 2HD1 ILE 50 -20.945 -48.465 13.929 429 3HD1 ILE 50 3HD1 ILE 50 -20.234 -49.796 14.841 430 H LYS 51 H LYS 51 -17.578 -53.559 13.319 431 HA LYS 51 HA LYS 51 -18.948 -56.138 13.083 432 1HB LYS 51 2HB LYS 51 -17.288 -55.021 11.293 433 2HB LYS 51 1HB LYS 51 -16.090 -55.856 12.274 434 1HG LYS 51 2HG LYS 51 -17.088 -57.973 11.840 435 2HG LYS 51 1HG LYS 51 -18.504 -57.223 11.109 436 1HD LYS 51 2HD LYS 51 -17.348 -57.881 9.238 437 2HD LYS 51 1HD LYS 51 -16.741 -56.240 9.435 438 1HE LYS 51 2HE LYS 51 -15.350 -58.691 10.495 439 2HE LYS 51 1HE LYS 51 -14.991 -57.954 8.937 440 1HZ LYS 51 1HZ LYS 51 -14.729 -56.624 11.569 441 2HZ LYS 51 2HZ LYS 51 -14.365 -55.921 10.070 442 3HZ LYS 51 3HZ LYS 51 -13.450 -57.232 10.647 443 H LYS 52 H LYS 52 -17.129 -57.993 13.641 444 HA LYS 52 HA LYS 52 -16.535 -59.269 15.362 445 1HB LYS 52 2HB LYS 52 -15.412 -56.657 16.318 446 2HB LYS 52 1HB LYS 52 -15.209 -58.161 17.182 447 1HG LYS 52 2HG LYS 52 -13.252 -58.072 16.001 448 2HG LYS 52 1HG LYS 52 -14.265 -59.026 14.920 449 1HD LYS 52 2HD LYS 52 -13.146 -57.417 13.581 450 2HD LYS 52 1HD LYS 52 -14.823 -56.883 13.722 451 1HE LYS 52 2HE LYS 52 -13.269 -55.014 13.990 452 2HE LYS 52 1HE LYS 52 -14.184 -55.305 15.466 453 1HZ LYS 52 1HZ LYS 52 -11.775 -54.881 15.800 454 2HZ LYS 52 2HZ LYS 52 -11.444 -56.344 15.011 455 3HZ LYS 52 3HZ LYS 52 -12.321 -56.343 16.464 456 H ILE 53 H ILE 53 -18.294 -60.029 16.255 457 HA ILE 53 HA ILE 53 -19.776 -58.438 18.181 458 HB ILE 53 HB ILE 53 -21.141 -59.234 16.354 459 1HG1 ILE 53 2HG1 ILE 53 -21.581 -61.050 18.708 460 2HG1 ILE 53 1HG1 ILE 53 -22.011 -59.350 18.666 461 1HG2 ILE 53 1HG2 ILE 53 -21.343 -61.623 15.803 462 2HG2 ILE 53 2HG2 ILE 53 -20.077 -61.989 16.975 463 3HG2 ILE 53 3HG2 ILE 53 -19.702 -61.025 15.548 464 1HD1 ILE 53 1HD1 ILE 53 -23.112 -61.485 16.864 465 2HD1 ILE 53 2HD1 ILE 53 -23.567 -59.781 16.844 466 3HD1 ILE 53 3HD1 ILE 53 -23.939 -60.778 18.251 467 H ARG 54 H ARG 54 -20.207 -59.330 20.240 468 HA ARG 54 HA ARG 54 -18.309 -60.934 21.463 469 1HB ARG 54 2HB ARG 54 -20.020 -61.327 23.242 470 2HB ARG 54 1HB ARG 54 -19.798 -59.635 22.827 471 1HG ARG 54 2HG ARG 54 -21.855 -59.533 21.694 472 2HG ARG 54 1HG ARG 54 -21.992 -61.292 21.626 473 1HD ARG 54 2HD ARG 54 -22.013 -59.710 24.189 474 2HD ARG 54 1HD ARG 54 -23.471 -60.173 23.311 475 HE ARG 54 HE ARG 54 -21.869 -62.454 23.779 476 1HH1 ARG 54 1HH1 ARG 54 -23.980 -60.216 25.436 477 2HH1 ARG 54 2HH1 ARG 54 -24.469 -61.359 26.653 478 1HH2 ARG 54 1HH2 ARG 54 -22.509 -63.981 25.389 479 2HH2 ARG 54 2HH2 ARG 54 -23.620 -63.494 26.625 480 H ASP 55 H ASP 55 -17.880 -63.050 21.432 481 HA ASP 55 HA ASP 55 -19.601 -64.773 19.865 482 1HB ASP 55 2HB ASP 55 -17.158 -64.921 19.609 483 2HB ASP 55 1HB ASP 55 -17.010 -65.440 21.282 484 H GLY 56 H GLY 56 -20.536 -66.651 20.590 485 1HA GLY 56 2HA GLY 56 -20.625 -67.139 23.473 486 2HA GLY 56 1HA GLY 56 -22.145 -66.737 22.681 487 H THR 57 H THR 57 -19.585 -68.567 21.150 488 HA THR 57 HA THR 57 -21.328 -70.634 20.376 489 HB THR 57 HB THR 57 -19.200 -71.808 19.719 490 HG1 THR 57 HG1 THR 57 -17.965 -69.354 20.504 491 1HG2 THR 57 1HG2 THR 57 -20.380 -70.424 18.129 492 2HG2 THR 57 2HG2 THR 57 -18.641 -70.198 17.934 493 3HG2 THR 57 3HG2 THR 57 -19.605 -68.981 18.771 494 H TRP 58 H TRP 58 -22.072 -72.262 21.523 495 HA TRP 58 HA TRP 58 -20.818 -72.949 24.051 496 1HB TRP 58 2HB TRP 58 -23.336 -72.734 23.694 497 2HB TRP 58 1HB TRP 58 -23.245 -74.246 22.802 498 HD1 TRP 58 HD1 TRP 58 -22.202 -72.982 26.324 499 HE1 TRP 58 HE1 TRP 58 -22.699 -74.852 28.016 500 HE3 TRP 58 HE3 TRP 58 -23.928 -76.544 23.092 501 HZ2 TRP 58 HZ2 TRP 58 -23.697 -77.496 27.983 502 HZ3 TRP 58 HZ3 TRP 58 -24.638 -78.719 24.002 503 HH2 TRP 58 HH2 TRP 58 -24.524 -79.184 26.398 504 H MET 59 H MET 59 -19.681 -74.769 24.413 505 HA MET 59 HA MET 59 -18.388 -75.944 22.209 506 1HB MET 59 2HB MET 59 -17.302 -75.750 24.390 507 2HB MET 59 1HB MET 59 -18.465 -76.870 25.088 508 1HG MET 59 2HG MET 59 -16.290 -77.911 24.601 509 2HG MET 59 1HG MET 59 -17.626 -78.671 23.739 510 1HE MET 59 1HE MET 59 -15.934 -79.888 22.133 511 2HE MET 59 2HE MET 59 -14.573 -79.145 22.973 512 3HE MET 59 3HE MET 59 -14.673 -79.064 21.216 513 H SER 60 H SER 60 -18.985 -77.510 20.912 514 HA SER 60 HA SER 60 -21.309 -79.093 21.362 515 1HB SER 60 2HB SER 60 -19.144 -79.662 19.342 516 2HB SER 60 1HB SER 60 -20.858 -80.058 19.233 517 HG SER 60 HG SER 60 -21.048 -77.594 19.414 518 H SER 61 H SER 61 -21.327 -80.625 22.863 519 HA SER 61 HA SER 61 -18.828 -81.905 23.633 520 1HB SER 61 2HB SER 61 -20.461 -80.826 25.293 521 2HB SER 61 1HB SER 61 -21.496 -82.224 25.013 522 HG SER 61 HG SER 61 -18.969 -83.028 25.505 523 H LEU 62 H LEU 62 -20.683 -82.558 21.226 524 HA LEU 62 HA LEU 62 -21.566 -85.223 21.660 525 1HB LEU 62 2HB LEU 62 -22.170 -83.473 19.796 526 2HB LEU 62 1HB LEU 62 -20.807 -84.180 18.957 527 HG LEU 62 HG LEU 62 -23.200 -85.744 19.917 528 1HD1 LEU 62 1HD1 LEU 62 -23.887 -85.785 17.566 529 2HD1 LEU 62 2HD1 LEU 62 -22.558 -84.699 17.160 530 3HD1 LEU 62 3HD1 LEU 62 -23.863 -84.142 18.207 531 1HD2 LEU 62 1HD2 LEU 62 -21.176 -87.092 19.675 532 2HD2 LEU 62 2HD2 LEU 62 -20.963 -86.487 18.032 533 3HD2 LEU 62 3HD2 LEU 62 -22.358 -87.491 18.427 534 H GLU 63 H GLU 63 -19.994 -86.526 22.452 535 HA GLU 63 HA GLU 63 -17.581 -86.861 20.818 536 1HB GLU 63 2HB GLU 63 -16.551 -87.718 22.970 537 2HB GLU 63 1HB GLU 63 -16.867 -85.995 22.894 538 1HG GLU 63 2HG GLU 63 -17.514 -86.648 25.039 539 2HG GLU 63 1HG GLU 63 -19.019 -86.482 24.140 540 H HIS 64 H HIS 64 -16.590 -89.171 21.611 541 HA HIS 64 HA HIS 64 -18.794 -91.119 21.588 542 1HB HIS 64 2HB HIS 64 -16.256 -91.248 19.940 543 2HB HIS 64 1HB HIS 64 -17.381 -92.588 20.135 544 HD1 HIS 64 HD1 HIS 64 -16.548 -90.548 17.572 545 HD2 HIS 64 HD2 HIS 64 -20.188 -91.144 19.505 546 HE1 HIS 64 HE1 HIS 64 -18.316 -89.804 15.949 547 HE2 HIS 64 HE2 HIS 64 -20.503 -90.368 17.060 548 H HIS 65 H HIS 65 -18.712 -92.183 23.446 549 HA HIS 65 HA HIS 65 -16.342 -92.516 24.996 550 1HB HIS 65 2HB HIS 65 -19.069 -93.808 25.120 551 2HB HIS 65 1HB HIS 65 -17.770 -94.271 26.215 552 HD1 HIS 65 HD1 HIS 65 -20.081 -91.413 25.416 553 HD2 HIS 65 HD2 HIS 65 -17.238 -92.477 28.257 554 HE1 HIS 65 HE1 HIS 65 -20.340 -89.756 27.292 555 HE2 HIS 65 HE2 HIS 65 -18.726 -90.527 29.067 556 H HIS 66 H HIS 66 -14.728 -93.483 23.861 557 HA HIS 66 HA HIS 66 -15.373 -95.860 22.284 558 1HB HIS 66 2HB HIS 66 -14.247 -93.800 21.291 559 2HB HIS 66 1HB HIS 66 -12.821 -94.258 22.210 560 HD1 HIS 66 HD1 HIS 66 -14.786 -95.102 19.173 561 HD2 HIS 66 HD2 HIS 66 -11.457 -96.544 21.213 562 HE1 HIS 66 HE1 HIS 66 -13.652 -96.691 17.589 563 HE2 HIS 66 HE2 HIS 66 -11.637 -97.555 18.836 564 H HIS 67 H HIS 67 -14.477 -95.354 25.290 565 HA HIS 67 HA HIS 67 -12.361 -97.391 25.316 566 1HB HIS 67 2HB HIS 67 -11.897 -95.175 26.431 567 2HB HIS 67 1HB HIS 67 -13.144 -95.579 27.608 568 HD1 HIS 67 HD1 HIS 67 -9.614 -96.193 26.738 569 HD2 HIS 67 HD2 HIS 67 -12.464 -97.777 29.318 570 HE1 HIS 67 HE1 HIS 67 -8.332 -97.600 28.382 571 HE2 HIS 67 HE2 HIS 67 -10.103 -98.727 29.782 572 H HIS 68 H HIS 68 -13.435 -99.274 25.249 573 HA HIS 68 HA HIS 68 -14.551-100.326 27.604 574 1HB HIS 68 2HB HIS 68 -16.505 -98.915 26.900 575 2HB HIS 68 1HB HIS 68 -16.596 -99.860 25.416 576 HD1 HIS 68 HD1 HIS 68 -17.067-102.539 25.834 577 HD2 HIS 68 HD2 HIS 68 -17.890 -99.950 28.993 578 HE1 HIS 68 HE1 HIS 68 -18.607-103.801 27.368 579 HE2 HIS 68 HE2 HIS 68 -18.949-102.286 29.352 580 H HIS 69 H HIS 69 -13.917-102.387 27.488 581 HA HIS 69 HA HIS 69 -13.745-103.669 24.867 582 1HB HIS 69 2HB HIS 69 -11.884-103.793 26.641 583 2HB HIS 69 1HB HIS 69 -12.951-104.883 27.518 584 HD1 HIS 69 HD1 HIS 69 -10.211-104.985 25.318 585 HD2 HIS 69 HD2 HIS 69 -13.757-107.143 25.592 586 HE1 HIS 69 HE1 HIS 69 -9.804-107.124 24.050 587 HE2 HIS 69 HE2 HIS 69 -12.009-108.352 24.113 588 1H MET 1 1H MET 1 -1.377 -18.772 10.661 589 2H MET 1 2H MET 1 -2.134 -17.893 9.426 590 3H MET 1 3H MET 1 -1.960 -17.211 10.972 591 HA MET 1 HA MET 1 0.309 -16.933 10.764 592 1HB MET 1 2HB MET 1 0.063 -18.792 8.405 593 2HB MET 1 1HB MET 1 1.482 -17.785 8.654 594 1HG MET 1 2HG MET 1 0.434 -19.866 10.549 595 2HG MET 1 1HG MET 1 1.844 -20.024 9.499 596 1HE MET 1 1HE MET 1 3.351 -20.718 11.565 597 2HE MET 1 2HE MET 1 1.950 -20.588 12.629 598 3HE MET 1 3HE MET 1 3.460 -19.778 13.051 599 HA PRO 2 HA PRO 2 -1.052 -13.515 8.213 600 1HB PRO 2 2HB PRO 2 0.605 -11.665 9.279 601 2HB PRO 2 1HB PRO 2 -0.863 -12.213 10.095 602 1HG PRO 2 2HG PRO 2 1.975 -12.957 10.600 603 2HG PRO 2 1HG PRO 2 0.653 -12.728 11.754 604 1HD PRO 2 2HD PRO 2 1.568 -15.179 10.858 605 2HD PRO 2 1HD PRO 2 -0.037 -14.888 11.555 606 H LYS 3 H LYS 3 -0.368 -13.918 6.181 607 HA LYS 3 HA LYS 3 2.452 -13.314 5.577 608 1HB LYS 3 2HB LYS 3 0.515 -15.192 4.274 609 2HB LYS 3 1HB LYS 3 1.857 -14.531 3.361 610 1HG LYS 3 2HG LYS 3 3.426 -15.498 4.968 611 2HG LYS 3 1HG LYS 3 2.072 -16.179 5.872 612 1HD LYS 3 2HD LYS 3 1.530 -17.671 4.164 613 2HD LYS 3 1HD LYS 3 2.439 -16.759 2.958 614 1HE LYS 3 2HE LYS 3 3.734 -18.142 5.294 615 2HE LYS 3 1HE LYS 3 3.486 -18.924 3.731 616 1HZ LYS 3 1HZ LYS 3 5.019 -16.407 4.153 617 2HZ LYS 3 2HZ LYS 3 4.833 -17.240 2.684 618 3HZ LYS 3 3HZ LYS 3 5.708 -17.945 3.952 619 H ILE 4 H ILE 4 2.888 -12.031 3.757 620 HA ILE 4 HA ILE 4 0.621 -10.592 2.640 621 HB ILE 4 HB ILE 4 1.968 -8.596 2.579 622 1HG1 ILE 4 2HG1 ILE 4 4.177 -9.815 2.464 623 2HG1 ILE 4 1HG1 ILE 4 4.132 -8.380 3.449 624 1HG2 ILE 4 1HG2 ILE 4 1.840 -9.784 5.338 625 2HG2 ILE 4 2HG2 ILE 4 0.560 -8.893 4.515 626 3HG2 ILE 4 3HG2 ILE 4 2.047 -8.068 4.979 627 1HD1 ILE 4 1HD1 ILE 4 4.254 -11.223 4.367 628 2HD1 ILE 4 2HD1 ILE 4 3.831 -9.900 5.449 629 3HD1 ILE 4 3HD1 ILE 4 5.408 -9.926 4.662 630 H ILE 5 H ILE 5 0.692 -10.200 0.484 631 HA ILE 5 HA ILE 5 2.930 -11.350 -1.034 632 HB ILE 5 HB ILE 5 0.383 -10.291 -2.238 633 1HG1 ILE 5 2HG1 ILE 5 0.807 -13.067 -1.133 634 2HG1 ILE 5 1HG1 ILE 5 -0.291 -11.859 -0.476 635 1HG2 ILE 5 1HG2 ILE 5 2.173 -10.793 -3.766 636 2HG2 ILE 5 2HG2 ILE 5 0.885 -11.983 -3.958 637 3HG2 ILE 5 3HG2 ILE 5 2.355 -12.407 -3.079 638 1HD1 ILE 5 1HD1 ILE 5 -0.487 -13.151 -3.188 639 2HD1 ILE 5 2HD1 ILE 5 -1.598 -11.947 -2.530 640 3HD1 ILE 5 3HD1 ILE 5 -1.471 -13.535 -1.775 641 H GLU 6 H GLU 6 3.921 -10.036 -2.673 642 HA GLU 6 HA GLU 6 3.507 -7.169 -2.239 643 1HB GLU 6 2HB GLU 6 6.023 -8.657 -3.015 644 2HB GLU 6 1HB GLU 6 5.874 -6.907 -2.958 645 1HG GLU 6 2HG GLU 6 5.368 -6.991 -0.598 646 2HG GLU 6 1HG GLU 6 5.442 -8.749 -0.624 647 H ALA 7 H ALA 7 3.078 -5.910 -3.959 648 HA ALA 7 HA ALA 7 3.177 -7.043 -6.692 649 1HB ALA 7 1HB ALA 7 0.686 -5.893 -5.399 650 2HB ALA 7 2HB ALA 7 0.962 -7.595 -5.769 651 3HB ALA 7 3HB ALA 7 0.844 -6.417 -7.076 652 H VAL 8 H VAL 8 3.220 -5.438 -8.291 653 HA VAL 8 HA VAL 8 3.432 -2.685 -7.319 654 HB VAL 8 HB VAL 8 4.837 -2.288 -9.342 655 1HG1 VAL 8 1HG1 VAL 8 6.870 -3.265 -8.395 656 2HG1 VAL 8 2HG1 VAL 8 5.878 -4.311 -7.377 657 3HG1 VAL 8 3HG1 VAL 8 5.839 -2.563 -7.150 658 1HG2 VAL 8 1HG2 VAL 8 4.847 -5.292 -9.521 659 2HG2 VAL 8 2HG2 VAL 8 5.889 -4.211 -10.445 660 3HG2 VAL 8 3HG2 VAL 8 4.145 -4.181 -10.700 661 H TYR 9 H TYR 9 1.965 -1.338 -8.012 662 HA TYR 9 HA TYR 9 -0.096 -2.099 -9.894 663 1HB TYR 9 2HB TYR 9 -0.689 -0.794 -7.976 664 2HB TYR 9 1HB TYR 9 0.543 0.411 -8.315 665 HD1 TYR 9 HD1 TYR 9 0.184 2.098 -10.034 666 HD2 TYR 9 HD2 TYR 9 -2.816 -0.774 -9.116 667 HE1 TYR 9 HE1 TYR 9 -1.484 3.489 -11.177 668 HE2 TYR 9 HE2 TYR 9 -4.487 0.601 -10.274 669 HH TYR 9 HH TYR 9 -4.767 3.071 -10.837 670 H GLU 10 H GLU 10 0.021 -1.956 -11.963 671 HA GLU 10 HA GLU 10 1.247 0.380 -13.207 672 1HB GLU 10 2HB GLU 10 2.085 -1.115 -15.007 673 2HB GLU 10 1HB GLU 10 2.889 -1.364 -13.473 674 1HG GLU 10 2HG GLU 10 1.862 -3.408 -13.128 675 2HG GLU 10 1HG GLU 10 0.564 -3.055 -14.268 676 H ASN 11 H ASN 11 -0.067 1.251 -14.751 677 HA ASN 11 HA ASN 11 -1.672 1.477 -16.358 678 1HB ASN 11 2HB ASN 11 -0.406 -0.727 -17.043 679 2HB ASN 11 1HB ASN 11 -1.931 -1.487 -16.617 680 1HD2 ASN 11 1HD2 ASN 11 -3.734 -1.146 -17.903 681 2HD2 ASN 11 2HD2 ASN 11 -3.634 -0.404 -19.461 682 H GLY 12 H GLY 12 -2.415 0.867 -13.469 683 1HA GLY 12 2HA GLY 12 -4.537 1.066 -12.471 684 2HA GLY 12 1HA GLY 12 -5.265 0.520 -13.976 685 H VAL 13 H VAL 13 -2.610 -1.332 -13.009 686 HA VAL 13 HA VAL 13 -4.406 -3.461 -11.984 687 HB VAL 13 HB VAL 13 -1.780 -3.871 -13.373 688 1HG1 VAL 13 1HG1 VAL 13 -2.625 -5.735 -12.085 689 2HG1 VAL 13 2HG1 VAL 13 -2.670 -6.111 -13.807 690 3HG1 VAL 13 3HG1 VAL 13 -4.156 -5.679 -12.960 691 1HG2 VAL 13 1HG2 VAL 13 -3.177 -2.659 -14.960 692 2HG2 VAL 13 2HG2 VAL 13 -4.502 -3.793 -14.700 693 3HG2 VAL 13 3HG2 VAL 13 -3.012 -4.341 -15.466 694 H PHE 14 H PHE 14 -3.567 -4.734 -10.238 695 HA PHE 14 HA PHE 14 -0.928 -3.876 -9.256 696 1HB PHE 14 2HB PHE 14 -3.176 -5.333 -7.873 697 2HB PHE 14 1HB PHE 14 -1.600 -5.056 -7.154 698 HD1 PHE 14 HD1 PHE 14 -0.980 -2.921 -6.296 699 HD2 PHE 14 HD2 PHE 14 -4.687 -3.433 -8.321 700 HE1 PHE 14 HE1 PHE 14 -1.721 -0.716 -5.498 701 HE2 PHE 14 HE2 PHE 14 -5.428 -1.228 -7.526 702 HZ PHE 14 HZ PHE 14 -3.945 0.129 -6.116 703 H LYS 15 H LYS 15 0.698 -5.121 -9.867 704 HA LYS 15 HA LYS 15 0.198 -7.918 -10.581 705 1HB LYS 15 2HB LYS 15 1.073 -6.217 -12.202 706 2HB LYS 15 1HB LYS 15 2.524 -6.144 -11.245 707 1HG LYS 15 2HG LYS 15 2.990 -8.453 -11.679 708 2HG LYS 15 1HG LYS 15 1.476 -8.620 -12.577 709 1HD LYS 15 2HD LYS 15 3.446 -6.521 -13.355 710 2HD LYS 15 1HD LYS 15 3.699 -8.186 -13.836 711 1HE LYS 15 2HE LYS 15 1.561 -8.235 -14.969 712 2HE LYS 15 1HE LYS 15 1.197 -6.609 -14.396 713 1HZ LYS 15 1HZ LYS 15 2.977 -5.738 -15.726 714 2HZ LYS 15 2HZ LYS 15 1.966 -6.676 -16.717 715 3HZ LYS 15 3HZ LYS 15 3.456 -7.296 -16.204 716 HA PRO 16 HA PRO 16 2.592 -8.622 -6.852 717 1HB PRO 16 2HB PRO 16 2.531 -11.341 -6.925 718 2HB PRO 16 1HB PRO 16 1.191 -10.356 -6.322 719 1HG PRO 16 2HG PRO 16 1.534 -11.666 -8.987 720 2HG PRO 16 1HG PRO 16 0.079 -11.528 -7.983 721 1HD PRO 16 2HD PRO 16 0.546 -9.932 -10.127 722 2HD PRO 16 1HD PRO 16 -0.374 -9.397 -8.709 723 H LEU 17 H LEU 17 4.581 -9.657 -6.318 724 HA LEU 17 HA LEU 17 6.253 -10.431 -8.609 725 1HB LEU 17 2HB LEU 17 7.093 -9.462 -5.864 726 2HB LEU 17 1HB LEU 17 8.187 -9.939 -7.146 727 HG LEU 17 HG LEU 17 6.969 -8.033 -8.487 728 1HD1 LEU 17 1HD1 LEU 17 5.279 -7.533 -6.831 729 2HD1 LEU 17 2HD1 LEU 17 6.345 -6.146 -7.064 730 3HD1 LEU 17 3HD1 LEU 17 6.528 -7.169 -5.639 731 1HD2 LEU 17 1HD2 LEU 17 9.330 -8.047 -7.995 732 2HD2 LEU 17 2HD2 LEU 17 9.018 -7.540 -6.335 733 3HD2 LEU 17 3HD2 LEU 17 8.669 -6.446 -7.673 734 H GLN 18 H GLN 18 4.578 -11.366 -5.888 735 HA GLN 18 HA GLN 18 5.947 -13.979 -5.804 736 1HB GLN 18 2HB GLN 18 3.976 -12.703 -3.923 737 2HB GLN 18 1HB GLN 18 4.310 -14.422 -3.876 738 1HG GLN 18 2HG GLN 18 5.752 -13.700 -2.291 739 2HG GLN 18 1HG GLN 18 6.788 -13.613 -3.707 740 1HE2 GLN 18 1HE2 GLN 18 5.103 -11.852 -1.278 741 2HE2 GLN 18 2HE2 GLN 18 5.786 -10.301 -1.628 742 H LYS 19 H LYS 19 4.920 -15.809 -6.462 743 HA LYS 19 HA LYS 19 2.621 -15.459 -8.139 744 1HB LYS 19 2HB LYS 19 4.417 -16.963 -8.827 745 2HB LYS 19 1HB LYS 19 4.159 -17.944 -7.392 746 1HG LYS 19 2HG LYS 19 1.901 -18.469 -8.175 747 2HG LYS 19 1HG LYS 19 2.211 -17.522 -9.626 748 1HD LYS 19 2HD LYS 19 3.934 -19.030 -10.325 749 2HD LYS 19 1HD LYS 19 3.860 -19.899 -8.789 750 1HE LYS 19 2HE LYS 19 1.556 -20.579 -9.302 751 2HE LYS 19 1HE LYS 19 1.663 -19.734 -10.847 752 1HZ LYS 19 1HZ LYS 19 2.058 -22.147 -10.994 753 2HZ LYS 19 2HZ LYS 19 3.451 -21.958 -10.041 754 3HZ LYS 19 3HZ LYS 19 3.358 -21.216 -11.566 755 H VAL 20 H VAL 20 0.591 -15.970 -7.707 756 HA VAL 20 HA VAL 20 -0.041 -17.331 -5.174 757 HB VAL 20 HB VAL 20 -1.894 -15.253 -6.167 758 1HG1 VAL 20 1HG1 VAL 20 -2.521 -16.654 -4.300 759 2HG1 VAL 20 2HG1 VAL 20 -2.337 -14.981 -3.773 760 3HG1 VAL 20 3HG1 VAL 20 -1.076 -16.160 -3.419 761 1HG2 VAL 20 1HG2 VAL 20 -0.752 -13.493 -4.863 762 2HG2 VAL 20 2HG2 VAL 20 0.187 -14.028 -6.256 763 3HG2 VAL 20 3HG2 VAL 20 0.616 -14.584 -4.637 764 H ASP 21 H ASP 21 -1.482 -18.811 -5.232 765 HA ASP 21 HA ASP 21 -2.858 -19.235 -7.774 766 1HB ASP 21 2HB ASP 21 -1.493 -21.077 -6.920 767 2HB ASP 21 1HB ASP 21 -2.453 -21.098 -5.452 768 H LEU 22 H LEU 22 -4.240 -17.670 -7.389 769 HA LEU 22 HA LEU 22 -6.393 -18.239 -5.472 770 1HB LEU 22 2HB LEU 22 -5.330 -15.640 -6.539 771 2HB LEU 22 1HB LEU 22 -6.890 -15.763 -5.775 772 HG LEU 22 HG LEU 22 -4.238 -16.358 -4.485 773 1HD1 LEU 22 1HD1 LEU 22 -6.208 -14.120 -4.039 774 2HD1 LEU 22 2HD1 LEU 22 -4.645 -13.976 -4.842 775 3HD1 LEU 22 3HD1 LEU 22 -4.722 -14.386 -3.129 776 1HD2 LEU 22 1HD2 LEU 22 -5.538 -16.610 -2.415 777 2HD2 LEU 22 2HD2 LEU 22 -5.965 -17.828 -3.616 778 3HD2 LEU 22 3HD2 LEU 22 -7.027 -16.447 -3.345 779 H LYS 23 H LYS 23 -8.435 -16.885 -6.285 780 HA LYS 23 HA LYS 23 -9.053 -17.891 -8.953 781 1HB LYS 23 2HB LYS 23 -11.086 -16.777 -7.063 782 2HB LYS 23 1HB LYS 23 -11.286 -17.999 -8.299 783 1HG LYS 23 2HG LYS 23 -10.186 -19.638 -6.942 784 2HG LYS 23 1HG LYS 23 -9.791 -18.414 -5.730 785 1HD LYS 23 2HD LYS 23 -12.274 -18.009 -5.508 786 2HD LYS 23 1HD LYS 23 -12.514 -19.452 -6.494 787 1HE LYS 23 2HE LYS 23 -12.685 -19.975 -4.119 788 2HE LYS 23 1HE LYS 23 -11.302 -20.786 -4.852 789 1HZ LYS 23 1HZ LYS 23 -10.803 -19.792 -2.678 790 2HZ LYS 23 2HZ LYS 23 -11.140 -18.249 -3.306 791 3HZ LYS 23 3HZ LYS 23 -9.844 -19.158 -3.914 792 H GLU 24 H GLU 24 -10.334 -16.510 -10.398 793 HA GLU 24 HA GLU 24 -9.723 -13.739 -10.306 794 1HB GLU 24 2HB GLU 24 -12.028 -14.909 -11.836 795 2HB GLU 24 1HB GLU 24 -11.025 -13.539 -12.241 796 1HG GLU 24 2HG GLU 24 -10.261 -15.074 -13.729 797 2HG GLU 24 1HG GLU 24 -9.133 -15.309 -12.399 798 H GLY 25 H GLY 25 -10.655 -12.294 -9.044 799 1HA GLY 25 2HA GLY 25 -12.524 -11.166 -8.104 800 2HA GLY 25 1HA GLY 25 -13.454 -12.654 -8.233 801 H GLU 26 H GLU 26 -10.295 -13.104 -7.040 802 HA GLU 26 HA GLU 26 -11.272 -13.885 -4.457 803 1HB GLU 26 2HB GLU 26 -8.745 -14.015 -5.905 804 2HB GLU 26 1HB GLU 26 -8.520 -13.640 -4.195 805 1HG GLU 26 2HG GLU 26 -9.860 -16.029 -5.414 806 2HG GLU 26 1HG GLU 26 -8.390 -15.978 -4.453 807 H ARG 27 H ARG 27 -11.181 -12.795 -2.512 808 HA ARG 27 HA ARG 27 -10.991 -9.916 -2.948 809 1HB ARG 27 2HB ARG 27 -12.905 -11.460 -1.731 810 2HB ARG 27 1HB ARG 27 -12.117 -10.648 -0.393 811 1HG ARG 27 2HG ARG 27 -12.686 -8.534 -1.190 812 2HG ARG 27 1HG ARG 27 -13.000 -9.132 -2.823 813 1HD ARG 27 2HD ARG 27 -14.887 -10.469 -1.806 814 2HD ARG 27 1HD ARG 27 -14.668 -9.499 -0.350 815 HE ARG 27 HE ARG 27 -15.378 -7.583 -1.569 816 1HH1 ARG 27 1HH1 ARG 27 -15.598 -10.582 -3.365 817 2HH1 ARG 27 2HH1 ARG 27 -16.745 -9.962 -4.521 818 1HH2 ARG 27 1HH2 ARG 27 -16.907 -6.759 -3.074 819 2HH2 ARG 27 2HH2 ARG 27 -17.507 -7.789 -4.339 820 H VAL 28 H VAL 28 -9.596 -8.760 -2.239 821 HA VAL 28 HA VAL 28 -7.903 -9.496 0.037 822 HB VAL 28 HB VAL 28 -5.864 -8.979 -1.221 823 1HG1 VAL 28 1HG1 VAL 28 -6.578 -11.307 -1.145 824 2HG1 VAL 28 2HG1 VAL 28 -5.780 -10.945 -2.675 825 3HG1 VAL 28 3HG1 VAL 28 -7.539 -11.077 -2.606 826 1HG2 VAL 28 1HG2 VAL 28 -6.835 -7.410 -2.828 827 2HG2 VAL 28 2HG2 VAL 28 -7.657 -8.746 -3.636 828 3HG2 VAL 28 3HG2 VAL 28 -5.895 -8.664 -3.634 829 H LYS 29 H LYS 29 -6.582 -7.655 0.799 830 HA LYS 29 HA LYS 29 -7.567 -5.063 -0.154 831 1HB LYS 29 2HB LYS 29 -6.988 -5.950 2.645 832 2HB LYS 29 1HB LYS 29 -6.905 -4.267 2.195 833 1HG LYS 29 2HG LYS 29 -9.283 -4.474 1.391 834 2HG LYS 29 1HG LYS 29 -9.308 -6.064 2.164 835 1HD LYS 29 2HD LYS 29 -8.571 -4.920 4.279 836 2HD LYS 29 1HD LYS 29 -8.858 -3.384 3.465 837 1HE LYS 29 2HE LYS 29 -10.789 -3.901 4.776 838 2HE LYS 29 1HE LYS 29 -11.212 -4.115 3.077 839 1HZ LYS 29 1HZ LYS 29 -11.981 -5.904 4.640 840 2HZ LYS 29 2HZ LYS 29 -10.355 -6.367 4.810 841 3HZ LYS 29 3HZ LYS 29 -11.111 -6.443 3.290 842 H ILE 30 H ILE 30 -6.123 -3.567 -0.502 843 HA ILE 30 HA ILE 30 -3.319 -4.442 -0.575 844 HB ILE 30 HB ILE 30 -4.391 -2.028 -1.963 845 1HG1 ILE 30 2HG1 ILE 30 -4.437 -4.840 -3.077 846 2HG1 ILE 30 1HG1 ILE 30 -5.864 -3.954 -2.550 847 1HG2 ILE 30 1HG2 ILE 30 -2.150 -3.935 -2.576 848 2HG2 ILE 30 2HG2 ILE 30 -1.992 -2.321 -1.883 849 3HG2 ILE 30 3HG2 ILE 30 -2.580 -2.520 -3.535 850 1HD1 ILE 30 1HD1 ILE 30 -5.617 -3.914 -4.969 851 2HD1 ILE 30 2HD1 ILE 30 -4.031 -3.159 -4.802 852 3HD1 ILE 30 3HD1 ILE 30 -5.479 -2.294 -4.285 853 H LYS 31 H LYS 31 -1.810 -3.286 0.439 854 HA LYS 31 HA LYS 31 -2.588 -0.855 1.809 855 1HB LYS 31 2HB LYS 31 -1.576 -3.381 3.062 856 2HB LYS 31 1HB LYS 31 -1.395 -1.831 3.852 857 1HG LYS 31 2HG LYS 31 -3.651 -1.599 4.193 858 2HG LYS 31 1HG LYS 31 -4.063 -2.645 2.836 859 1HD LYS 31 2HD LYS 31 -2.756 -4.368 4.495 860 2HD LYS 31 1HD LYS 31 -3.558 -3.292 5.643 861 1HE LYS 31 2HE LYS 31 -5.693 -3.652 4.393 862 2HE LYS 31 1HE LYS 31 -4.861 -4.837 3.394 863 1HZ LYS 31 1HZ LYS 31 -5.929 -6.106 4.997 864 2HZ LYS 31 2HZ LYS 31 -5.585 -5.013 6.253 865 3HZ LYS 31 3HZ LYS 31 -4.354 -5.979 5.615 866 H LEU 32 H LEU 32 -0.857 0.446 2.408 867 HA LEU 32 HA LEU 32 1.152 0.317 0.321 868 1HB LEU 32 2HB LEU 32 0.191 2.445 2.175 869 2HB LEU 32 1HB LEU 32 1.700 2.642 1.326 870 HG LEU 32 HG LEU 32 -0.151 3.787 0.207 871 1HD1 LEU 32 1HD1 LEU 32 0.961 1.466 -1.341 872 2HD1 LEU 32 2HD1 LEU 32 1.746 3.026 -1.093 873 3HD1 LEU 32 3HD1 LEU 32 0.258 2.926 -2.034 874 1HD2 LEU 32 1HD2 LEU 32 -1.982 2.306 0.816 875 2HD2 LEU 32 2HD2 LEU 32 -1.295 1.032 -0.190 876 3HD2 LEU 32 3HD2 LEU 32 -1.897 2.514 -0.933 877 H GLU 33 H GLU 33 3.194 -0.226 0.629 878 HA GLU 33 HA GLU 33 4.177 -0.450 3.364 879 1HB GLU 33 2HB GLU 33 5.532 -1.218 0.799 880 2HB GLU 33 1HB GLU 33 6.022 -1.650 2.414 881 1HG GLU 33 2HG GLU 33 3.482 -2.533 1.088 882 2HG GLU 33 1HG GLU 33 4.937 -3.513 1.266 883 H LEU 34 H LEU 34 5.489 0.990 4.184 884 HA LEU 34 HA LEU 34 6.547 3.090 2.454 885 1HB LEU 34 2HB LEU 34 4.743 3.458 4.840 886 2HB LEU 34 1HB LEU 34 5.668 4.756 4.125 887 HG LEU 34 HG LEU 34 3.599 3.154 2.655 888 1HD1 LEU 34 1HD1 LEU 34 2.581 4.461 4.451 889 2HD1 LEU 34 2HD1 LEU 34 2.172 5.123 2.867 890 3HD1 LEU 34 3HD1 LEU 34 3.402 5.906 3.860 891 1HD2 LEU 34 1HD2 LEU 34 5.031 5.701 1.936 892 2HD2 LEU 34 2HD2 LEU 34 3.769 4.921 0.983 893 3HD2 LEU 34 3HD2 LEU 34 5.321 4.116 1.219 894 H LYS 35 H LYS 35 7.429 4.814 4.262 895 HA LYS 35 HA LYS 35 9.874 3.776 5.110 896 1HB LYS 35 2HB LYS 35 9.918 6.002 6.411 897 2HB LYS 35 1HB LYS 35 9.841 6.061 4.660 898 1HG LYS 35 2HG LYS 35 7.948 7.205 4.728 899 2HG LYS 35 1HG LYS 35 7.192 5.980 5.742 900 1HD LYS 35 2HD LYS 35 8.979 8.171 6.791 901 2HD LYS 35 1HD LYS 35 7.221 8.282 6.725 902 1HE LYS 35 2HE LYS 35 7.120 6.215 8.125 903 2HE LYS 35 1HE LYS 35 8.872 6.309 8.302 904 1HZ LYS 35 1HZ LYS 35 6.870 8.304 9.222 905 2HZ LYS 35 2HZ LYS 35 8.541 8.559 9.253 906 3HZ LYS 35 3HZ LYS 35 7.858 7.320 10.196 907 H VAL 36 H VAL 36 10.728 3.451 7.136 908 HA VAL 36 HA VAL 36 8.862 3.302 9.401 909 HB VAL 36 HB VAL 36 11.365 1.629 9.033 910 1HG1 VAL 36 1HG1 VAL 36 10.515 0.368 10.964 911 2HG1 VAL 36 2HG1 VAL 36 9.184 1.513 11.113 912 3HG1 VAL 36 3HG1 VAL 36 10.843 2.053 11.367 913 1HG2 VAL 36 1HG2 VAL 36 9.834 -0.277 8.724 914 2HG2 VAL 36 2HG2 VAL 36 9.686 0.921 7.438 915 3HG2 VAL 36 3HG2 VAL 36 8.471 0.842 8.715 916 H GLU 37 H GLU 37 9.694 4.122 11.382 917 HA GLU 37 HA GLU 37 11.174 6.443 11.183 918 1HB GLU 37 2HB GLU 37 9.976 4.863 13.293 919 2HB GLU 37 1HB GLU 37 11.476 5.613 13.824 920 1HG GLU 37 2HG GLU 37 9.293 6.904 14.153 921 2HG GLU 37 1HG GLU 37 10.677 7.762 13.474 922 HA PRO 38 HA PRO 38 15.267 4.647 11.068 923 1HB PRO 38 2HB PRO 38 16.491 6.745 9.967 924 2HB PRO 38 1HB PRO 38 15.381 5.741 9.028 925 1HG PRO 38 2HG PRO 38 14.943 8.440 10.213 926 2HG PRO 38 1HG PRO 38 14.341 7.764 8.690 927 1HD PRO 38 2HD PRO 38 12.916 7.935 11.102 928 2HD PRO 38 1HD PRO 38 12.472 6.958 9.690 929 H ILE 39 H ILE 39 17.521 5.862 11.605 930 HA ILE 39 HA ILE 39 17.208 6.727 14.346 931 HB ILE 39 HB ILE 39 19.726 6.540 14.379 932 1HG1 ILE 39 2HG1 ILE 39 20.572 4.885 12.569 933 2HG1 ILE 39 1HG1 ILE 39 19.204 5.447 11.625 934 1HG2 ILE 39 1HG2 ILE 39 18.270 4.865 15.328 935 2HG2 ILE 39 2HG2 ILE 39 19.657 4.093 14.558 936 3HG2 ILE 39 3HG2 ILE 39 18.089 4.098 13.750 937 1HD1 ILE 39 1HD1 ILE 39 21.453 7.155 12.666 938 2HD1 ILE 39 2HD1 ILE 39 20.071 7.727 11.729 939 3HD1 ILE 39 3HD1 ILE 39 21.228 6.611 11.003 940 H ASP 40 H ASP 40 18.338 8.566 15.182 941 HA ASP 40 HA ASP 40 18.221 10.805 13.351 942 1HB ASP 40 2HB ASP 40 18.203 12.135 15.361 943 2HB ASP 40 1HB ASP 40 17.032 10.845 15.525 944 H LEU 41 H LEU 41 19.879 12.458 13.410 945 HA LEU 41 HA LEU 41 22.490 11.637 14.409 946 1HB LEU 41 2HB LEU 41 23.567 12.249 12.253 947 2HB LEU 41 1HB LEU 41 22.577 10.806 12.176 948 HG LEU 41 HG LEU 41 20.750 12.508 11.308 949 1HD1 LEU 41 1HD1 LEU 41 23.321 13.860 10.514 950 2HD1 LEU 41 2HD1 LEU 41 22.122 14.499 11.637 951 3HD1 LEU 41 3HD1 LEU 41 21.704 14.272 9.938 952 1HD2 LEU 41 1HD2 LEU 41 21.556 10.591 10.068 953 2HD2 LEU 41 2HD2 LEU 41 23.024 11.461 9.627 954 3HD2 LEU 41 3HD2 LEU 41 21.462 12.001 9.011 955 H GLY 42 H GLY 42 24.097 13.493 14.184 956 1HA GLY 42 2HA GLY 42 22.721 15.804 15.281 957 2HA GLY 42 1HA GLY 42 24.448 15.494 15.338 958 H GLU 43 H GLU 43 25.329 17.280 14.515 959 HA GLU 43 HA GLU 43 24.258 18.365 12.006 960 1HB GLU 43 2HB GLU 43 25.825 19.688 14.222 961 2HB GLU 43 1HB GLU 43 25.324 20.474 12.742 962 1HG GLU 43 2HG GLU 43 22.983 20.120 13.345 963 2HG GLU 43 1HG GLU 43 23.500 19.343 14.843 964 HA PRO 44 HA PRO 44 28.294 17.714 10.163 965 1HB PRO 44 2HB PRO 44 28.427 19.739 8.393 966 2HB PRO 44 1HB PRO 44 27.317 18.382 8.177 967 1HG PRO 44 2HG PRO 44 26.768 21.133 9.216 968 2HG PRO 44 1HG PRO 44 25.807 20.143 8.101 969 1HD PRO 44 2HD PRO 44 25.258 20.386 10.772 970 2HD PRO 44 1HD PRO 44 24.815 18.971 9.802 971 H VAL 45 H VAL 45 30.411 18.818 9.796 972 HA VAL 45 HA VAL 45 31.002 20.515 12.099 973 HB VAL 45 HB VAL 45 33.029 19.504 10.119 974 1HG1 VAL 45 1HG1 VAL 45 33.194 20.161 13.052 975 2HG1 VAL 45 2HG1 VAL 45 33.804 21.149 11.726 976 3HG1 VAL 45 3HG1 VAL 45 34.526 19.575 12.054 977 1HG2 VAL 45 1HG2 VAL 45 33.322 17.501 11.545 978 2HG2 VAL 45 2HG2 VAL 45 31.730 17.551 10.789 979 3HG2 VAL 45 3HG2 VAL 45 31.912 17.992 12.486 980 H SER 46 H SER 46 32.219 22.473 11.893 981 HA SER 46 HA SER 46 31.456 23.949 9.497 982 1HB SER 46 2HB SER 46 32.443 25.037 12.135 983 2HB SER 46 1HB SER 46 31.598 25.905 10.863 984 HG SER 46 HG SER 46 29.780 24.505 11.283 985 H VAL 47 H VAL 47 33.005 25.762 8.898 986 HA VAL 47 HA VAL 47 35.659 24.669 8.502 987 HB VAL 47 HB VAL 47 34.544 27.370 7.689 988 1HG1 VAL 47 1HG1 VAL 47 36.980 27.353 7.765 989 2HG1 VAL 47 2HG1 VAL 47 36.407 27.432 6.100 990 3HG1 VAL 47 3HG1 VAL 47 37.017 25.909 6.752 991 1HG2 VAL 47 1HG2 VAL 47 34.276 26.388 5.463 992 2HG2 VAL 47 2HG2 VAL 47 33.295 25.548 6.661 993 3HG2 VAL 47 3HG2 VAL 47 34.796 24.822 6.088 994 H GLU 48 H GLU 48 37.545 25.382 9.460 995 HA GLU 48 HA GLU 48 37.180 27.291 11.682 996 1HB GLU 48 2HB GLU 48 37.475 24.857 12.295 997 2HB GLU 48 1HB GLU 48 39.099 24.964 11.633 998 1HG GLU 48 2HG GLU 48 39.583 26.774 13.240 999 2HG GLU 48 1HG GLU 48 37.992 26.518 13.952 1000 H GLU 49 H GLU 49 38.971 26.387 8.938 1001 HA GLU 49 HA GLU 49 41.519 27.352 9.512 1002 1HB GLU 49 2HB GLU 49 40.077 27.007 6.895 1003 2HB GLU 49 1HB GLU 49 41.770 27.460 7.001 1004 1HG GLU 49 2HG GLU 49 41.526 25.088 6.580 1005 2HG GLU 49 1HG GLU 49 42.277 25.378 8.146 1006 H ILE 50 H ILE 50 38.683 29.097 8.698 1007 HA ILE 50 HA ILE 50 40.109 31.335 7.555 1008 HB ILE 50 HB ILE 50 37.898 30.612 6.686 1009 1HG1 ILE 50 2HG1 ILE 50 38.001 33.448 7.748 1010 2HG1 ILE 50 1HG1 ILE 50 38.752 32.883 6.263 1011 1HG2 ILE 50 1HG2 ILE 50 36.855 30.050 8.822 1012 2HG2 ILE 50 2HG2 ILE 50 35.871 31.189 7.902 1013 3HG2 ILE 50 3HG2 ILE 50 36.837 31.757 9.264 1014 1HD1 ILE 50 1HD1 ILE 50 36.544 32.371 5.347 1015 2HD1 ILE 50 2HD1 ILE 50 36.700 34.071 5.793 1016 3HD1 ILE 50 3HD1 ILE 50 35.801 32.965 6.831 1017 H LYS 51 H LYS 51 39.503 30.357 10.651 1018 HA LYS 51 HA LYS 51 38.856 32.881 11.848 1019 1HB LYS 51 2HB LYS 51 38.336 30.673 12.899 1020 2HB LYS 51 1HB LYS 51 40.058 30.441 13.170 1021 1HG LYS 51 2HG LYS 51 40.003 32.612 14.476 1022 2HG LYS 51 1HG LYS 51 38.248 32.500 14.397 1023 1HD LYS 51 2HD LYS 51 40.083 30.430 15.611 1024 2HD LYS 51 1HD LYS 51 39.147 31.619 16.512 1025 1HE LYS 51 2HE LYS 51 37.820 29.727 16.651 1026 2HE LYS 51 1HE LYS 51 37.112 30.589 15.289 1027 1HZ LYS 51 1HZ LYS 51 39.046 28.339 15.089 1028 2HZ LYS 51 2HZ LYS 51 38.343 29.165 13.788 1029 3HZ LYS 51 3HZ LYS 51 37.373 28.242 14.814 1030 H LYS 52 H LYS 52 40.192 34.412 12.679 1031 HA LYS 52 HA LYS 52 43.016 34.181 12.094 1032 1HB LYS 52 2HB LYS 52 41.172 36.369 12.802 1033 2HB LYS 52 1HB LYS 52 42.797 36.525 13.441 1034 1HG LYS 52 2HG LYS 52 42.035 36.217 10.546 1035 2HG LYS 52 1HG LYS 52 42.614 37.686 11.337 1036 1HD LYS 52 2HD LYS 52 44.707 36.374 11.922 1037 2HD LYS 52 1HD LYS 52 44.126 35.137 10.806 1038 1HE LYS 52 2HE LYS 52 45.629 36.499 9.578 1039 2HE LYS 52 1HE LYS 52 44.005 36.933 9.048 1040 1HZ LYS 52 1HZ LYS 52 44.108 38.823 10.638 1041 2HZ LYS 52 2HZ LYS 52 45.236 38.928 9.376 1042 3HZ LYS 52 3HZ LYS 52 45.741 38.453 10.921 1043 H ILE 53 H ILE 53 44.485 33.547 13.476 1044 HA ILE 53 HA ILE 53 43.808 33.159 16.277 1045 HB ILE 53 HB ILE 53 46.354 32.474 14.786 1046 1HG1 ILE 53 2HG1 ILE 53 44.044 30.715 15.651 1047 2HG1 ILE 53 1HG1 ILE 53 44.381 31.214 13.997 1048 1HG2 ILE 53 1HG2 ILE 53 45.429 31.698 17.556 1049 2HG2 ILE 53 2HG2 ILE 53 46.762 32.787 17.165 1050 3HG2 ILE 53 3HG2 ILE 53 46.866 31.077 16.748 1051 1HD1 ILE 53 1HD1 ILE 53 46.101 29.455 15.729 1052 2HD1 ILE 53 2HD1 ILE 53 46.526 30.008 14.109 1053 3HD1 ILE 53 3HD1 ILE 53 45.129 28.958 14.345 1054 H ARG 54 H ARG 54 44.336 34.576 17.807 1055 HA ARG 54 HA ARG 54 45.349 37.104 17.158 1056 1HB ARG 54 2HB ARG 54 43.824 36.692 19.035 1057 2HB ARG 54 1HB ARG 54 45.088 35.802 19.870 1058 1HG ARG 54 2HG ARG 54 46.311 37.720 20.332 1059 2HG ARG 54 1HG ARG 54 45.508 38.655 19.070 1060 1HD ARG 54 2HD ARG 54 44.176 37.642 21.585 1061 2HD ARG 54 1HD ARG 54 44.777 39.285 21.347 1062 HE ARG 54 HE ARG 54 43.163 39.258 19.350 1063 1HH1 ARG 54 1HH1 ARG 54 42.599 37.674 22.422 1064 2HH1 ARG 54 2HH1 ARG 54 40.866 37.751 22.280 1065 1HH2 ARG 54 1HH2 ARG 54 40.890 39.328 19.144 1066 2HH2 ARG 54 2HH2 ARG 54 39.890 38.672 20.415 1067 H ASP 55 H ASP 55 47.317 37.695 16.731 1068 HA ASP 55 HA ASP 55 49.535 35.921 17.347 1069 1HB ASP 55 2HB ASP 55 49.071 37.032 15.078 1070 2HB ASP 55 1HB ASP 55 49.676 38.512 15.807 1071 H GLY 56 H GLY 56 51.674 37.170 17.856 1072 1HA GLY 56 2HA GLY 56 51.283 38.246 20.486 1073 2HA GLY 56 1HA GLY 56 52.824 37.998 19.674 1074 H THR 57 H THR 57 51.155 40.303 21.094 1075 HA THR 57 HA THR 57 51.525 42.382 19.096 1076 HB THR 57 HB THR 57 49.498 42.575 20.351 1077 HG1 THR 57 HG1 THR 57 51.262 44.522 21.454 1078 1HG2 THR 57 1HG2 THR 57 50.122 41.297 22.338 1079 2HG2 THR 57 2HG2 THR 57 49.449 42.863 22.786 1080 3HG2 THR 57 3HG2 THR 57 51.191 42.606 22.851 1081 H TRP 58 H TRP 58 52.948 44.056 19.275 1082 HA TRP 58 HA TRP 58 55.293 43.522 20.882 1083 1HB TRP 58 2HB TRP 58 55.209 44.404 18.422 1084 2HB TRP 58 1HB TRP 58 54.930 45.971 19.172 1085 HD1 TRP 58 HD1 TRP 58 57.034 47.263 19.966 1086 HE1 TRP 58 HE1 TRP 58 59.544 46.714 20.160 1087 HE3 TRP 58 HE3 TRP 58 56.850 42.259 18.936 1088 HZ2 TRP 58 HZ2 TRP 58 61.219 44.455 19.900 1089 HZ3 TRP 58 HZ3 TRP 58 58.948 40.977 18.924 1090 HH2 TRP 58 HH2 TRP 58 61.092 42.053 19.396 1091 H MET 59 H MET 59 56.306 45.568 21.927 1092 HA MET 59 HA MET 59 54.387 46.449 23.905 1093 1HB MET 59 2HB MET 59 56.338 47.301 25.117 1094 2HB MET 59 1HB MET 59 56.563 45.625 24.640 1095 1HG MET 59 2HG MET 59 57.863 46.497 22.655 1096 2HG MET 59 1HG MET 59 57.823 48.074 23.444 1097 1HE MET 59 1HE MET 59 59.094 44.370 23.631 1098 2HE MET 59 2HE MET 59 58.092 44.509 25.074 1099 3HE MET 59 3HE MET 59 59.840 44.325 25.230 1100 H SER 60 H SER 60 54.629 48.781 24.700 1101 HA SER 60 HA SER 60 53.894 50.488 22.533 1102 1HB SER 60 2HB SER 60 53.657 52.203 24.343 1103 2HB SER 60 1HB SER 60 52.771 50.712 24.664 1104 HG SER 60 HG SER 60 54.398 50.079 26.088 1105 H SER 61 H SER 61 54.862 52.914 22.855 1106 HA SER 61 HA SER 61 57.757 52.594 22.434 1107 1HB SER 61 2HB SER 61 55.941 54.849 21.554 1108 2HB SER 61 1HB SER 61 57.636 54.640 21.115 1109 HG SER 61 HG SER 61 55.864 52.541 20.567 1110 H LEU 62 H LEU 62 55.802 53.317 24.856 1111 HA LEU 62 HA LEU 62 55.895 54.449 26.794 1112 1HB LEU 62 2HB LEU 62 58.798 54.840 26.084 1113 2HB LEU 62 1HB LEU 62 58.076 54.984 27.668 1114 HG LEU 62 HG LEU 62 58.228 52.428 26.086 1115 1HD1 LEU 62 1HD1 LEU 62 60.433 53.184 26.820 1116 2HD1 LEU 62 2HD1 LEU 62 59.918 51.748 27.702 1117 3HD1 LEU 62 3HD1 LEU 62 59.835 53.332 28.473 1118 1HD2 LEU 62 1HD2 LEU 62 56.305 52.519 27.589 1119 2HD2 LEU 62 2HD2 LEU 62 57.369 52.943 28.931 1120 3HD2 LEU 62 3HD2 LEU 62 57.509 51.362 28.160 1121 H GLU 63 H GLU 63 57.105 56.685 27.720 1122 HA GLU 63 HA GLU 63 56.336 58.715 25.757 1123 1HB GLU 63 2HB GLU 63 55.864 60.180 27.660 1124 2HB GLU 63 1HB GLU 63 54.904 58.717 27.730 1125 1HG GLU 63 2HG GLU 63 55.559 58.544 29.836 1126 2HG GLU 63 1HG GLU 63 57.144 58.101 29.210 1127 H HIS 64 H HIS 64 57.751 60.244 25.182 1128 HA HIS 64 HA HIS 64 60.347 60.292 26.581 1129 1HB HIS 64 2HB HIS 64 59.793 60.813 23.645 1130 2HB HIS 64 1HB HIS 64 61.357 61.002 24.429 1131 HD1 HIS 64 HD1 HIS 64 59.649 58.691 22.389 1132 HD2 HIS 64 HD2 HIS 64 62.063 58.340 25.761 1133 HE1 HIS 64 HE1 HIS 64 60.467 56.311 22.403 1134 HE2 HIS 64 HE2 HIS 64 62.050 56.168 24.358 1135 H HIS 65 H HIS 65 59.631 61.897 28.000 1136 HA HIS 65 HA HIS 65 58.523 64.361 26.994 1137 1HB HIS 65 2HB HIS 65 57.946 63.313 29.238 1138 2HB HIS 65 1HB HIS 65 59.545 63.808 29.787 1139 HD1 HIS 65 HD1 HIS 65 56.161 65.109 28.962 1140 HD2 HIS 65 HD2 HIS 65 59.833 66.579 30.254 1141 HE1 HIS 65 HE1 HIS 65 55.725 67.475 29.705 1142 HE2 HIS 65 HE2 HIS 65 57.931 68.310 30.605 1143 H HIS 66 H HIS 66 59.649 66.109 26.374 1144 HA HIS 66 HA HIS 66 62.526 66.151 26.909 1145 1HB HIS 66 2HB HIS 66 60.829 67.785 25.009 1146 2HB HIS 66 1HB HIS 66 62.565 67.999 25.219 1147 HD1 HIS 66 HD1 HIS 66 60.154 66.195 23.232 1148 HD2 HIS 66 HD2 HIS 66 64.043 65.509 24.544 1149 HE1 HIS 66 HE1 HIS 66 61.045 64.345 21.779 1150 HE2 HIS 66 HE2 HIS 66 63.409 63.959 22.564 1151 H HIS 67 H HIS 67 63.527 68.030 27.759 1152 HA HIS 67 HA HIS 67 63.795 69.556 29.422 1153 1HB HIS 67 2HB HIS 67 60.823 70.075 29.131 1154 2HB HIS 67 1HB HIS 67 61.917 71.017 30.135 1155 HD1 HIS 67 HD1 HIS 67 60.368 72.488 28.017 1156 HD2 HIS 67 HD2 HIS 67 64.104 70.791 27.322 1157 HE1 HIS 67 HE1 HIS 67 61.315 73.713 26.036 1158 HE2 HIS 67 HE2 HIS 67 63.656 72.800 25.762 1159 H HIS 68 H HIS 68 63.414 69.772 31.752 1160 HA HIS 68 HA HIS 68 62.493 67.207 32.819 1161 1HB HIS 68 2HB HIS 68 64.725 68.159 33.479 1162 2HB HIS 68 1HB HIS 68 63.873 69.468 34.291 1163 HD1 HIS 68 HD1 HIS 68 63.725 69.094 36.716 1164 HD2 HIS 68 HD2 HIS 68 63.625 65.512 34.597 1165 HE1 HIS 68 HE1 HIS 68 63.550 67.273 38.455 1166 HE2 HIS 68 HE2 HIS 68 63.257 65.147 37.131 1167 H HIS 69 H HIS 69 61.117 70.016 32.081 1168 HA HIS 69 HA HIS 69 59.424 70.259 34.441 1169 1HB HIS 69 2HB HIS 69 60.293 72.321 33.398 1170 2HB HIS 69 1HB HIS 69 59.485 71.899 31.894 1171 HD1 HIS 69 HD1 HIS 69 58.786 73.110 35.381 1172 HD2 HIS 69 HD2 HIS 69 56.757 72.454 31.806 1173 HE1 HIS 69 HE1 HIS 69 56.533 74.192 35.666 1174 HE2 HIS 69 HE2 HIS 69 55.255 73.581 33.584 Start of MODEL 16 1 1H MET 1 1H MET 1 -3.076 10.622 4.867 2 2H MET 1 2H MET 1 -3.968 11.447 6.049 3 3H MET 1 3H MET 1 -4.751 10.826 4.681 4 HA MET 1 HA MET 1 -3.421 9.232 6.795 5 1HB MET 1 2HB MET 1 -6.344 9.651 6.142 6 2HB MET 1 1HB MET 1 -5.748 8.439 7.264 7 1HG MET 1 2HG MET 1 -4.823 10.202 8.677 8 2HG MET 1 1HG MET 1 -5.436 11.419 7.557 9 1HE MET 1 1HE MET 1 -8.038 11.892 7.161 10 2HE MET 1 2HE MET 1 -9.316 10.915 7.884 11 3HE MET 1 3HE MET 1 -8.220 10.200 6.701 12 HA PRO 2 HA PRO 2 -3.149 6.332 3.372 13 1HB PRO 2 2HB PRO 2 -2.070 4.553 5.455 14 2HB PRO 2 1HB PRO 2 -1.315 5.128 3.966 15 1HG PRO 2 2HG PRO 2 -0.518 6.002 6.379 16 2HG PRO 2 1HG PRO 2 -0.519 7.057 4.950 17 1HD PRO 2 2HD PRO 2 -2.503 6.906 7.197 18 2HD PRO 2 1HD PRO 2 -1.827 8.336 6.385 19 H LYS 3 H LYS 3 -4.665 4.932 2.710 20 HA LYS 3 HA LYS 3 -6.209 3.429 4.698 21 1HB LYS 3 2HB LYS 3 -7.451 5.483 4.192 22 2HB LYS 3 1HB LYS 3 -7.386 5.119 2.480 23 1HG LYS 3 2HG LYS 3 -8.832 3.227 2.772 24 2HG LYS 3 1HG LYS 3 -8.774 3.405 4.528 25 1HD LYS 3 2HD LYS 3 -9.833 5.612 4.327 26 2HD LYS 3 1HD LYS 3 -9.912 5.407 2.580 27 1HE LYS 3 2HE LYS 3 -11.238 3.553 4.549 28 2HE LYS 3 1HE LYS 3 -12.043 4.932 3.805 29 1HZ LYS 3 1HZ LYS 3 -10.998 2.501 2.469 30 2HZ LYS 3 2HZ LYS 3 -11.437 3.896 1.613 31 3HZ LYS 3 3HZ LYS 3 -12.594 3.059 2.523 32 H ILE 4 H ILE 4 -7.122 1.510 3.889 33 HA ILE 4 HA ILE 4 -5.623 0.255 1.846 34 HB ILE 4 HB ILE 4 -7.100 -1.672 2.174 35 1HG1 ILE 4 2HG1 ILE 4 -9.147 -0.332 2.779 36 2HG1 ILE 4 1HG1 ILE 4 -8.836 -1.749 3.754 37 1HG2 ILE 4 1HG2 ILE 4 -5.990 -0.500 4.696 38 2HG2 ILE 4 2HG2 ILE 4 -5.131 -1.485 3.512 39 3HG2 ILE 4 3HG2 ILE 4 -6.441 -2.189 4.460 40 1HD1 ILE 4 1HD1 ILE 4 -9.465 -0.220 5.333 41 2HD1 ILE 4 2HD1 ILE 4 -8.677 1.117 4.507 42 3HD1 ILE 4 3HD1 ILE 4 -7.706 -0.070 5.379 43 H ILE 5 H ILE 5 -6.171 -0.334 -0.168 44 HA ILE 5 HA ILE 5 -8.750 0.603 -1.239 45 HB ILE 5 HB ILE 5 -6.526 -0.525 -2.905 46 1HG1 ILE 5 2HG1 ILE 5 -6.758 2.391 -2.127 47 2HG1 ILE 5 1HG1 ILE 5 -5.572 1.287 -1.450 48 1HG2 ILE 5 1HG2 ILE 5 -8.654 -0.187 -3.986 49 2HG2 ILE 5 2HG2 ILE 5 -7.480 0.973 -4.612 50 3HG2 ILE 5 3HG2 ILE 5 -8.695 1.490 -3.442 51 1HD1 ILE 5 1HD1 ILE 5 -4.562 0.986 -3.633 52 2HD1 ILE 5 2HD1 ILE 5 -4.626 2.698 -3.205 53 3HD1 ILE 5 3HD1 ILE 5 -5.784 2.031 -4.354 54 H GLU 6 H GLU 6 -10.086 -0.955 -2.303 55 HA GLU 6 HA GLU 6 -9.408 -3.707 -1.585 56 1HB GLU 6 2HB GLU 6 -12.052 -2.352 -2.051 57 2HB GLU 6 1HB GLU 6 -11.894 -4.103 -2.068 58 1HG GLU 6 2HG GLU 6 -12.584 -3.494 0.119 59 2HG GLU 6 1HG GLU 6 -10.892 -3.948 0.221 60 H ALA 7 H ALA 7 -9.292 -5.288 -3.047 61 HA ALA 7 HA ALA 7 -9.828 -4.663 -5.870 62 1HB ALA 7 1HB ALA 7 -7.623 -5.498 -6.522 63 2HB ALA 7 2HB ALA 7 -7.195 -5.722 -4.825 64 3HB ALA 7 3HB ALA 7 -7.483 -4.100 -5.453 65 H VAL 8 H VAL 8 -9.910 -6.577 -7.208 66 HA VAL 8 HA VAL 8 -10.132 -9.103 -5.756 67 HB VAL 8 HB VAL 8 -11.670 -9.770 -7.676 68 1HG1 VAL 8 1HG1 VAL 8 -12.566 -7.660 -5.728 69 2HG1 VAL 8 2HG1 VAL 8 -12.507 -9.398 -5.440 70 3HG1 VAL 8 3HG1 VAL 8 -13.643 -8.737 -6.616 71 1HG2 VAL 8 1HG2 VAL 8 -11.750 -6.786 -8.045 72 2HG2 VAL 8 2HG2 VAL 8 -12.904 -7.919 -8.750 73 3HG2 VAL 8 3HG2 VAL 8 -11.205 -7.982 -9.222 74 H TYR 9 H TYR 9 -8.604 -10.460 -6.270 75 HA TYR 9 HA TYR 9 -6.886 -10.215 -8.570 76 1HB TYR 9 2HB TYR 9 -6.013 -11.118 -6.503 77 2HB TYR 9 1HB TYR 9 -7.268 -12.348 -6.434 78 HD1 TYR 9 HD1 TYR 9 -4.179 -11.309 -8.177 79 HD2 TYR 9 HD2 TYR 9 -7.023 -14.415 -7.576 80 HE1 TYR 9 HE1 TYR 9 -2.674 -12.901 -9.287 81 HE2 TYR 9 HE2 TYR 9 -5.528 -16.014 -8.689 82 HH TYR 9 HH TYR 9 -3.690 -16.003 -10.283 83 H GLU 10 H GLU 10 -7.609 -10.574 -10.474 84 HA GLU 10 HA GLU 10 -9.001 -13.078 -11.095 85 1HB GLU 10 2HB GLU 10 -9.650 -10.282 -11.971 86 2HB GLU 10 1HB GLU 10 -10.072 -11.651 -12.973 87 1HG GLU 10 2HG GLU 10 -11.379 -12.552 -11.045 88 2HG GLU 10 1HG GLU 10 -11.046 -11.037 -10.201 89 H ASN 11 H ASN 11 -8.288 -14.056 -12.976 90 HA ASN 11 HA ASN 11 -7.048 -14.484 -14.830 91 1HB ASN 11 2HB ASN 11 -8.197 -12.208 -15.403 92 2HB ASN 11 1HB ASN 11 -6.577 -11.549 -15.222 93 1HD2 ASN 11 1HD2 ASN 11 -6.477 -10.978 -17.381 94 2HD2 ASN 11 2HD2 ASN 11 -6.251 -12.155 -18.629 95 H GLY 12 H GLY 12 -5.759 -13.996 -12.159 96 1HA GLY 12 2HA GLY 12 -3.582 -14.233 -11.407 97 2HA GLY 12 1HA GLY 12 -3.030 -14.073 -13.069 98 H VAL 13 H VAL 13 -5.173 -11.671 -11.939 99 HA VAL 13 HA VAL 13 -2.937 -9.761 -11.571 100 HB VAL 13 HB VAL 13 -5.612 -9.079 -12.741 101 1HG1 VAL 13 1HG1 VAL 13 -2.946 -7.678 -12.843 102 2HG1 VAL 13 2HG1 VAL 13 -4.357 -7.214 -11.892 103 3HG1 VAL 13 3HG1 VAL 13 -4.416 -7.131 -13.652 104 1HG2 VAL 13 1HG2 VAL 13 -4.596 -9.140 -14.997 105 2HG2 VAL 13 2HG2 VAL 13 -4.658 -10.734 -14.245 106 3HG2 VAL 13 3HG2 VAL 13 -3.137 -9.844 -14.304 107 H PHE 14 H PHE 14 -3.312 -8.142 -9.976 108 HA PHE 14 HA PHE 14 -5.767 -8.506 -8.422 109 1HB PHE 14 2HB PHE 14 -3.226 -6.985 -7.903 110 2HB PHE 14 1HB PHE 14 -4.660 -6.745 -6.920 111 HD1 PHE 14 HD1 PHE 14 -5.625 -8.696 -5.688 112 HD2 PHE 14 HD2 PHE 14 -1.795 -8.839 -7.527 113 HE1 PHE 14 HE1 PHE 14 -5.039 -10.633 -4.294 114 HE2 PHE 14 HE2 PHE 14 -1.195 -10.781 -6.129 115 HZ PHE 14 HZ PHE 14 -2.828 -11.685 -4.505 116 H LYS 15 H LYS 15 -7.464 -7.390 -8.958 117 HA LYS 15 HA LYS 15 -7.160 -4.892 -10.482 118 1HB LYS 15 2HB LYS 15 -9.354 -6.971 -10.476 119 2HB LYS 15 1HB LYS 15 -9.424 -5.458 -11.353 120 1HG LYS 15 2HG LYS 15 -7.767 -6.115 -12.857 121 2HG LYS 15 1HG LYS 15 -7.221 -7.423 -11.807 122 1HD LYS 15 2HD LYS 15 -8.508 -8.261 -13.730 123 2HD LYS 15 1HD LYS 15 -9.287 -8.639 -12.192 124 1HE LYS 15 2HE LYS 15 -10.745 -6.642 -12.519 125 2HE LYS 15 1HE LYS 15 -10.033 -6.439 -14.119 126 1HZ LYS 15 1HZ LYS 15 -12.064 -7.622 -14.357 127 2HZ LYS 15 2HZ LYS 15 -11.650 -8.740 -13.151 128 3HZ LYS 15 3HZ LYS 15 -10.807 -8.728 -14.628 129 HA PRO 16 HA PRO 16 -8.980 -3.349 -6.631 130 1HB PRO 16 2HB PRO 16 -9.030 -0.724 -7.406 131 2HB PRO 16 1HB PRO 16 -7.625 -1.523 -6.692 132 1HG PRO 16 2HG PRO 16 -8.232 -0.961 -9.564 133 2HG PRO 16 1HG PRO 16 -6.692 -0.821 -8.696 134 1HD PRO 16 2HD PRO 16 -7.240 -2.916 -10.290 135 2HD PRO 16 1HD PRO 16 -6.278 -3.095 -8.808 136 H LEU 17 H LEU 17 -10.853 -2.130 -6.069 137 HA LEU 17 HA LEU 17 -12.974 -2.139 -8.104 138 1HB LEU 17 2HB LEU 17 -13.217 -1.987 -5.085 139 2HB LEU 17 1HB LEU 17 -14.542 -2.149 -6.223 140 HG LEU 17 HG LEU 17 -12.412 -4.227 -5.690 141 1HD1 LEU 17 1HD1 LEU 17 -15.332 -4.140 -4.966 142 2HD1 LEU 17 2HD1 LEU 17 -13.973 -4.003 -3.850 143 3HD1 LEU 17 3HD1 LEU 17 -14.251 -5.510 -4.721 144 1HD2 LEU 17 1HD2 LEU 17 -13.178 -4.262 -8.014 145 2HD2 LEU 17 2HD2 LEU 17 -14.851 -4.342 -7.465 146 3HD2 LEU 17 3HD2 LEU 17 -13.748 -5.678 -7.129 147 H GLN 18 H GLN 18 -10.883 -0.326 -6.236 148 HA GLN 18 HA GLN 18 -12.385 2.180 -6.712 149 1HB GLN 18 2HB GLN 18 -9.959 1.798 -4.943 150 2HB GLN 18 1HB GLN 18 -10.983 3.220 -5.044 151 1HG GLN 18 2HG GLN 18 -12.830 1.979 -4.058 152 2HG GLN 18 1HG GLN 18 -11.824 0.532 -3.981 153 1HE2 GLN 18 1HE2 GLN 18 -11.890 0.357 -1.747 154 2HE2 GLN 18 2HE2 GLN 18 -11.109 1.482 -0.700 155 H LYS 19 H LYS 19 -11.473 3.704 -8.094 156 HA LYS 19 HA LYS 19 -9.292 2.817 -9.705 157 1HB LYS 19 2HB LYS 19 -11.167 4.125 -10.627 158 2HB LYS 19 1HB LYS 19 -10.644 5.511 -9.684 159 1HG LYS 19 2HG LYS 19 -8.647 5.713 -10.916 160 2HG LYS 19 1HG LYS 19 -8.883 4.142 -11.682 161 1HD LYS 19 2HD LYS 19 -10.973 5.086 -12.726 162 2HD LYS 19 1HD LYS 19 -10.468 6.668 -12.128 163 1HE LYS 19 2HE LYS 19 -8.732 4.941 -13.875 164 2HE LYS 19 1HE LYS 19 -9.862 6.127 -14.525 165 1HZ LYS 19 1HZ LYS 19 -7.518 6.902 -14.269 166 2HZ LYS 19 2HZ LYS 19 -7.718 6.823 -12.586 167 3HZ LYS 19 3HZ LYS 19 -8.676 7.876 -13.507 168 H VAL 20 H VAL 20 -7.268 3.188 -9.451 169 HA VAL 20 HA VAL 20 -6.429 4.885 -7.204 170 HB VAL 20 HB VAL 20 -4.702 2.806 -8.531 171 1HG1 VAL 20 1HG1 VAL 20 -4.714 3.977 -5.758 172 2HG1 VAL 20 2HG1 VAL 20 -3.585 4.368 -7.053 173 3HG1 VAL 20 3HG1 VAL 20 -3.596 2.751 -6.353 174 1HG2 VAL 20 1HG2 VAL 20 -5.417 1.185 -6.852 175 2HG2 VAL 20 2HG2 VAL 20 -6.754 1.670 -7.894 176 3HG2 VAL 20 3HG2 VAL 20 -6.624 2.327 -6.262 177 H ASP 21 H ASP 21 -4.658 6.243 -7.431 178 HA ASP 21 HA ASP 21 -4.232 7.135 -10.207 179 1HB ASP 21 2HB ASP 21 -5.738 8.534 -8.803 180 2HB ASP 21 1HB ASP 21 -4.396 8.830 -7.715 181 H LEU 22 H LEU 22 -2.728 5.464 -8.162 182 HA LEU 22 HA LEU 22 -0.315 6.861 -7.579 183 1HB LEU 22 2HB LEU 22 -0.962 3.912 -7.566 184 2HB LEU 22 1HB LEU 22 0.508 4.619 -6.938 185 HG LEU 22 HG LEU 22 -2.254 5.203 -5.887 186 1HD1 LEU 22 1HD1 LEU 22 -0.063 3.491 -4.732 187 2HD1 LEU 22 2HD1 LEU 22 -1.573 2.906 -5.433 188 3HD1 LEU 22 3HD1 LEU 22 -1.600 3.875 -3.959 189 1HD2 LEU 22 1HD2 LEU 22 -1.082 6.296 -4.049 190 2HD2 LEU 22 2HD2 LEU 22 -0.693 7.060 -5.592 191 3HD2 LEU 22 3HD2 LEU 22 0.464 5.968 -4.830 192 H LYS 23 H LYS 23 1.767 5.238 -8.312 193 HA LYS 23 HA LYS 23 1.690 5.599 -11.227 194 1HB LYS 23 2HB LYS 23 3.862 6.079 -9.220 195 2HB LYS 23 1HB LYS 23 4.258 5.771 -10.899 196 1HG LYS 23 2HG LYS 23 4.224 8.099 -10.670 197 2HG LYS 23 1HG LYS 23 2.710 7.688 -11.472 198 1HD LYS 23 2HD LYS 23 1.581 7.769 -9.261 199 2HD LYS 23 1HD LYS 23 3.099 8.321 -8.552 200 1HE LYS 23 2HE LYS 23 3.039 10.237 -10.180 201 2HE LYS 23 1HE LYS 23 1.411 9.720 -10.614 202 1HZ LYS 23 1HZ LYS 23 1.260 11.443 -8.995 203 2HZ LYS 23 2HZ LYS 23 2.332 10.650 -7.950 204 3HZ LYS 23 3HZ LYS 23 0.797 9.998 -8.244 205 H GLU 24 H GLU 24 3.512 4.297 -12.327 206 HA GLU 24 HA GLU 24 2.916 1.554 -11.852 207 1HB GLU 24 2HB GLU 24 4.680 3.015 -13.802 208 2HB GLU 24 1HB GLU 24 4.660 1.271 -13.717 209 1HG GLU 24 2HG GLU 24 3.231 2.055 -15.494 210 2HG GLU 24 1HG GLU 24 2.279 1.257 -14.248 211 H GLY 25 H GLY 25 4.242 -0.051 -11.271 212 1HA GLY 25 2HA GLY 25 5.528 -0.981 -9.630 213 2HA GLY 25 1HA GLY 25 6.787 0.112 -10.187 214 H GLU 26 H GLU 26 3.724 0.381 -8.503 215 HA GLU 26 HA GLU 26 5.001 1.969 -6.413 216 1HB GLU 26 2HB GLU 26 2.994 2.846 -7.543 217 2HB GLU 26 1HB GLU 26 2.096 1.423 -7.056 218 1HG GLU 26 2HG GLU 26 1.470 3.088 -5.604 219 2HG GLU 26 1HG GLU 26 2.585 2.092 -4.683 220 H ARG 27 H ARG 27 5.437 1.030 -4.490 221 HA ARG 27 HA ARG 27 5.138 -1.815 -4.344 222 1HB ARG 27 2HB ARG 27 7.148 -0.430 -3.658 223 2HB ARG 27 1HB ARG 27 6.278 -0.112 -2.170 224 1HG ARG 27 2HG ARG 27 7.684 -1.933 -1.706 225 2HG ARG 27 1HG ARG 27 6.077 -2.628 -1.940 226 1HD ARG 27 2HD ARG 27 7.495 -4.019 -3.168 227 2HD ARG 27 1HD ARG 27 6.766 -2.965 -4.373 228 HE ARG 27 HE ARG 27 9.525 -2.750 -3.346 229 1HH1 ARG 27 1HH1 ARG 27 7.109 -2.021 -5.779 230 2HH1 ARG 27 2HH1 ARG 27 8.251 -1.324 -6.890 231 1HH2 ARG 27 1HH2 ARG 27 11.038 -1.884 -4.845 232 2HH2 ARG 27 2HH2 ARG 27 10.469 -1.267 -6.369 233 H VAL 28 H VAL 28 3.488 -2.716 -3.659 234 HA VAL 28 HA VAL 28 2.093 -1.759 -1.264 235 HB VAL 28 HB VAL 28 -0.080 -2.360 -2.274 236 1HG1 VAL 28 1HG1 VAL 28 0.637 -0.039 -2.311 237 2HG1 VAL 28 2HG1 VAL 28 -0.282 -0.425 -3.764 238 3HG1 VAL 28 3HG1 VAL 28 1.476 -0.304 -3.839 239 1HG2 VAL 28 1HG2 VAL 28 0.666 -3.963 -3.931 240 2HG2 VAL 28 2HG2 VAL 28 1.524 -2.696 -4.806 241 3HG2 VAL 28 3HG2 VAL 28 -0.238 -2.666 -4.715 242 H LYS 29 H LYS 29 0.944 -3.387 -0.114 243 HA LYS 29 HA LYS 29 1.831 -6.123 -0.736 244 1HB LYS 29 2HB LYS 29 1.158 -4.819 1.895 245 2HB LYS 29 1HB LYS 29 1.373 -6.544 1.686 246 1HG LYS 29 2HG LYS 29 3.682 -6.030 0.805 247 2HG LYS 29 1HG LYS 29 3.423 -4.380 1.386 248 1HD LYS 29 2HD LYS 29 2.953 -5.309 3.637 249 2HD LYS 29 1HD LYS 29 3.364 -6.910 3.026 250 1HE LYS 29 2HE LYS 29 5.183 -4.516 3.209 251 2HE LYS 29 1HE LYS 29 5.262 -5.985 4.182 252 1HZ LYS 29 1HZ LYS 29 6.892 -6.153 2.497 253 2HZ LYS 29 2HZ LYS 29 5.810 -5.715 1.284 254 3HZ LYS 29 3HZ LYS 29 5.648 -7.215 2.054 255 H ILE 30 H ILE 30 0.302 -7.763 -0.549 256 HA ILE 30 HA ILE 30 -2.483 -6.827 -0.681 257 HB ILE 30 HB ILE 30 -1.734 -9.606 -1.386 258 1HG1 ILE 30 2HG1 ILE 30 -0.102 -8.187 -2.625 259 2HG1 ILE 30 1HG1 ILE 30 -1.238 -8.992 -3.702 260 1HG2 ILE 30 1HG2 ILE 30 -3.759 -7.661 -2.427 261 2HG2 ILE 30 2HG2 ILE 30 -4.059 -8.960 -1.275 262 3HG2 ILE 30 3HG2 ILE 30 -3.607 -9.341 -2.939 263 1HD1 ILE 30 1HD1 ILE 30 -2.502 -6.911 -3.909 264 2HD1 ILE 30 2HD1 ILE 30 -0.817 -6.692 -4.377 265 3HD1 ILE 30 3HD1 ILE 30 -1.377 -6.116 -2.807 266 H LYS 31 H LYS 31 -3.800 -7.335 0.826 267 HA LYS 31 HA LYS 31 -3.298 -9.637 2.548 268 1HB LYS 31 2HB LYS 31 -3.865 -6.816 3.374 269 2HB LYS 31 1HB LYS 31 -4.431 -8.148 4.358 270 1HG LYS 31 2HG LYS 31 -2.239 -8.921 4.754 271 2HG LYS 31 1HG LYS 31 -1.571 -7.835 3.534 272 1HD LYS 31 2HD LYS 31 -2.470 -5.952 4.945 273 2HD LYS 31 1HD LYS 31 -2.742 -7.141 6.214 274 1HE LYS 31 2HE LYS 31 -0.414 -7.694 6.300 275 2HE LYS 31 1HE LYS 31 -0.076 -6.707 4.882 276 1HZ LYS 31 1HZ LYS 31 -0.591 -4.738 6.143 277 2HZ LYS 31 2HZ LYS 31 0.598 -5.636 6.942 278 3HZ LYS 31 3HZ LYS 31 -1.001 -5.658 7.503 279 H LEU 32 H LEU 32 -5.095 -10.768 3.021 280 HA LEU 32 HA LEU 32 -7.343 -10.018 1.313 281 1HB LEU 32 2HB LEU 32 -7.825 -12.606 1.594 282 2HB LEU 32 1HB LEU 32 -6.786 -11.964 0.345 283 HG LEU 32 HG LEU 32 -5.706 -12.998 2.959 284 1HD1 LEU 32 1HD1 LEU 32 -6.972 -14.776 1.826 285 2HD1 LEU 32 2HD1 LEU 32 -5.235 -15.089 1.804 286 3HD1 LEU 32 3HD1 LEU 32 -6.039 -14.483 0.355 287 1HD2 LEU 32 1HD2 LEU 32 -4.447 -12.580 0.244 288 2HD2 LEU 32 2HD2 LEU 32 -3.641 -13.255 1.659 289 3HD2 LEU 32 3HD2 LEU 32 -4.181 -11.576 1.671 290 H GLU 33 H GLU 33 -9.447 -10.214 1.975 291 HA GLU 33 HA GLU 33 -9.825 -9.407 4.636 292 1HB GLU 33 2HB GLU 33 -11.575 -9.962 2.324 293 2HB GLU 33 1HB GLU 33 -12.325 -9.964 3.906 294 1HG GLU 33 2HG GLU 33 -10.703 -7.707 2.762 295 2HG GLU 33 1HG GLU 33 -12.465 -7.783 2.803 296 H LEU 34 H LEU 34 -11.230 -10.327 6.195 297 HA LEU 34 HA LEU 34 -11.334 -13.253 6.185 298 1HB LEU 34 2HB LEU 34 -10.155 -11.458 8.274 299 2HB LEU 34 1HB LEU 34 -10.792 -13.031 8.697 300 HG LEU 34 HG LEU 34 -8.730 -12.752 6.549 301 1HD1 LEU 34 1HD1 LEU 34 -8.228 -13.012 9.512 302 2HD1 LEU 34 2HD1 LEU 34 -7.811 -11.626 8.506 303 3HD1 LEU 34 3HD1 LEU 34 -7.008 -13.174 8.250 304 1HD2 LEU 34 1HD2 LEU 34 -9.461 -14.971 8.449 305 2HD2 LEU 34 2HD2 LEU 34 -8.217 -15.051 7.203 306 3HD2 LEU 34 3HD2 LEU 34 -9.911 -14.872 6.748 307 H LYS 35 H LYS 35 -12.824 -14.140 7.666 308 HA LYS 35 HA LYS 35 -15.111 -12.427 8.221 309 1HB LYS 35 2HB LYS 35 -16.219 -14.602 8.745 310 2HB LYS 35 1HB LYS 35 -15.642 -14.490 7.093 311 1HG LYS 35 2HG LYS 35 -14.007 -16.050 7.420 312 2HG LYS 35 1HG LYS 35 -13.877 -15.713 9.146 313 1HD LYS 35 2HD LYS 35 -16.029 -16.810 9.526 314 2HD LYS 35 1HD LYS 35 -16.165 -17.139 7.798 315 1HE LYS 35 2HE LYS 35 -14.420 -18.684 7.833 316 2HE LYS 35 1HE LYS 35 -13.790 -18.077 9.364 317 1HZ LYS 35 1HZ LYS 35 -15.601 -19.040 10.532 318 2HZ LYS 35 2HZ LYS 35 -14.967 -20.245 9.516 319 3HZ LYS 35 3HZ LYS 35 -16.406 -19.457 9.096 320 H VAL 36 H VAL 36 -16.209 -12.811 10.349 321 HA VAL 36 HA VAL 36 -14.218 -13.161 12.489 322 HB VAL 36 HB VAL 36 -16.926 -11.858 12.758 323 1HG1 VAL 36 1HG1 VAL 36 -15.984 -12.675 14.843 324 2HG1 VAL 36 2HG1 VAL 36 -15.969 -10.912 14.822 325 3HG1 VAL 36 3HG1 VAL 36 -14.480 -11.807 14.526 326 1HG2 VAL 36 1HG2 VAL 36 -15.604 -10.552 11.158 327 2HG2 VAL 36 2HG2 VAL 36 -14.261 -10.499 12.296 328 3HG2 VAL 36 3HG2 VAL 36 -15.772 -9.678 12.682 329 H GLU 37 H GLU 37 -14.565 -14.679 14.037 330 HA GLU 37 HA GLU 37 -16.540 -16.695 13.524 331 1HB GLU 37 2HB GLU 37 -14.377 -16.400 15.610 332 2HB GLU 37 1HB GLU 37 -15.445 -17.782 15.498 333 1HG GLU 37 2HG GLU 37 -13.569 -16.873 13.331 334 2HG GLU 37 1HG GLU 37 -13.259 -18.194 14.455 335 HA PRO 38 HA PRO 38 -19.446 -14.646 16.153 336 1HB PRO 38 2HB PRO 38 -21.253 -16.860 15.709 337 2HB PRO 38 1HB PRO 38 -21.300 -15.240 15.014 338 1HG PRO 38 2HG PRO 38 -20.760 -17.493 13.563 339 2HG PRO 38 1HG PRO 38 -20.181 -15.873 13.129 340 1HD PRO 38 2HD PRO 38 -18.725 -18.100 14.510 341 2HD PRO 38 1HD PRO 38 -18.149 -16.986 13.249 342 H ILE 39 H ILE 39 -21.411 -15.963 17.546 343 HA ILE 39 HA ILE 39 -20.085 -16.539 19.966 344 HB ILE 39 HB ILE 39 -22.340 -17.026 20.829 345 1HG1 ILE 39 2HG1 ILE 39 -23.262 -16.521 17.994 346 2HG1 ILE 39 1HG1 ILE 39 -23.222 -18.102 18.774 347 1HG2 ILE 39 1HG2 ILE 39 -22.081 -14.538 19.158 348 2HG2 ILE 39 2HG2 ILE 39 -21.589 -14.751 20.840 349 3HG2 ILE 39 3HG2 ILE 39 -23.298 -14.782 20.411 350 1HD1 ILE 39 1HD1 ILE 39 -24.859 -17.342 20.404 351 2HD1 ILE 39 2HD1 ILE 39 -25.466 -17.145 18.761 352 3HD1 ILE 39 3HD1 ILE 39 -24.876 -15.745 19.658 353 H ASP 40 H ASP 40 -20.586 -18.473 21.299 354 HA ASP 40 HA ASP 40 -20.702 -20.951 19.717 355 1HB ASP 40 2HB ASP 40 -18.345 -20.511 20.151 356 2HB ASP 40 1HB ASP 40 -18.679 -20.265 21.861 357 H LEU 41 H LEU 41 -21.487 -22.787 20.883 358 HA LEU 41 HA LEU 41 -23.262 -21.973 23.072 359 1HB LEU 41 2HB LEU 41 -24.260 -22.936 21.016 360 2HB LEU 41 1HB LEU 41 -23.387 -24.426 21.318 361 HG LEU 41 HG LEU 41 -24.644 -24.716 23.430 362 1HD1 LEU 41 1HD1 LEU 41 -26.158 -22.283 22.492 363 2HD1 LEU 41 2HD1 LEU 41 -25.113 -22.374 23.909 364 3HD1 LEU 41 3HD1 LEU 41 -26.608 -23.310 23.852 365 1HD2 LEU 41 1HD2 LEU 41 -26.765 -25.321 22.409 366 2HD2 LEU 41 2HD2 LEU 41 -25.421 -25.758 21.351 367 3HD2 LEU 41 3HD2 LEU 41 -26.388 -24.324 21.006 368 H GLY 42 H GLY 42 -23.190 -22.887 25.043 369 1HA GLY 42 2HA GLY 42 -20.929 -24.561 25.674 370 2HA GLY 42 1HA GLY 42 -21.954 -23.695 26.809 371 H GLU 43 H GLU 43 -21.141 -26.305 27.019 372 HA GLU 43 HA GLU 43 -23.204 -28.127 26.221 373 1HB GLU 43 2HB GLU 43 -20.738 -28.391 27.917 374 2HB GLU 43 1HB GLU 43 -21.862 -29.719 27.685 375 1HG GLU 43 2HG GLU 43 -20.403 -28.281 25.485 376 2HG GLU 43 1HG GLU 43 -19.930 -29.832 26.183 377 HA PRO 44 HA PRO 44 -25.657 -27.907 29.945 378 1HB PRO 44 2HB PRO 44 -26.912 -30.289 29.796 379 2HB PRO 44 1HB PRO 44 -27.300 -28.952 28.707 380 1HG PRO 44 2HG PRO 44 -25.605 -31.367 28.218 381 2HG PRO 44 1HG PRO 44 -26.774 -30.584 27.141 382 1HD PRO 44 2HD PRO 44 -24.063 -30.227 26.979 383 2HD PRO 44 1HD PRO 44 -25.253 -29.032 26.428 384 H VAL 45 H VAL 45 -25.871 -28.918 32.026 385 HA VAL 45 HA VAL 45 -23.429 -30.330 32.794 386 HB VAL 45 HB VAL 45 -25.605 -29.312 34.612 387 1HG1 VAL 45 1HG1 VAL 45 -23.880 -29.290 36.311 388 2HG1 VAL 45 2HG1 VAL 45 -22.697 -29.865 35.138 389 3HG1 VAL 45 3HG1 VAL 45 -24.044 -30.901 35.613 390 1HG2 VAL 45 1HG2 VAL 45 -24.813 -27.466 33.240 391 2HG2 VAL 45 2HG2 VAL 45 -23.147 -27.848 33.674 392 3HG2 VAL 45 3HG2 VAL 45 -24.272 -27.287 34.910 393 H SER 46 H SER 46 -23.547 -32.186 34.219 394 HA SER 46 HA SER 46 -25.606 -34.018 33.319 395 1HB SER 46 2HB SER 46 -23.094 -34.511 34.925 396 2HB SER 46 1HB SER 46 -24.132 -35.743 34.222 397 HG SER 46 HG SER 46 -22.947 -33.732 32.618 398 H VAL 47 H VAL 47 -26.215 -35.737 35.032 399 HA VAL 47 HA VAL 47 -26.689 -34.562 37.669 400 HB VAL 47 HB VAL 47 -28.672 -34.219 36.111 401 1HG1 VAL 47 1HG1 VAL 47 -28.886 -37.209 36.386 402 2HG1 VAL 47 2HG1 VAL 47 -28.622 -36.295 34.902 403 3HG1 VAL 47 3HG1 VAL 47 -30.155 -36.156 35.761 404 1HG2 VAL 47 1HG2 VAL 47 -30.332 -34.876 37.806 405 2HG2 VAL 47 2HG2 VAL 47 -28.927 -34.077 38.510 406 3HG2 VAL 47 3HG2 VAL 47 -29.097 -35.830 38.624 407 H GLU 48 H GLU 48 -27.460 -36.330 39.227 408 HA GLU 48 HA GLU 48 -25.728 -38.594 38.962 409 1HB GLU 48 2HB GLU 48 -27.885 -38.184 41.016 410 2HB GLU 48 1HB GLU 48 -26.487 -39.232 41.144 411 1HG GLU 48 2HG GLU 48 -25.027 -37.257 41.134 412 2HG GLU 48 1HG GLU 48 -26.457 -36.223 41.084 413 H GLU 49 H GLU 49 -26.193 -40.420 37.969 414 HA GLU 49 HA GLU 49 -28.892 -40.980 37.092 415 1HB GLU 49 2HB GLU 49 -27.860 -42.846 35.841 416 2HB GLU 49 1HB GLU 49 -27.071 -41.311 35.503 417 1HG GLU 49 2HG GLU 49 -25.174 -41.880 36.741 418 2HG GLU 49 1HG GLU 49 -26.006 -43.189 37.579 419 H ILE 50 H ILE 50 -26.703 -42.049 39.523 420 HA ILE 50 HA ILE 50 -28.106 -44.579 39.901 421 HB ILE 50 HB ILE 50 -25.599 -44.465 39.850 422 1HG1 ILE 50 2HG1 ILE 50 -26.813 -45.517 42.418 423 2HG1 ILE 50 1HG1 ILE 50 -26.776 -46.366 40.878 424 1HG2 ILE 50 1HG2 ILE 50 -25.955 -43.084 42.503 425 2HG2 ILE 50 2HG2 ILE 50 -25.278 -42.382 41.033 426 3HG2 ILE 50 3HG2 ILE 50 -24.426 -43.686 41.862 427 1HD1 ILE 50 1HD1 ILE 50 -24.374 -45.574 42.502 428 2HD1 ILE 50 2HD1 ILE 50 -24.349 -46.456 40.976 429 3HD1 ILE 50 3HD1 ILE 50 -25.077 -47.188 42.406 430 H LYS 51 H LYS 51 -28.568 -41.534 40.870 431 HA LYS 51 HA LYS 51 -28.814 -41.830 43.698 432 1HB LYS 51 2HB LYS 51 -28.355 -39.673 42.504 433 2HB LYS 51 1HB LYS 51 -30.017 -39.689 41.941 434 1HG LYS 51 2HG LYS 51 -29.730 -38.228 43.867 435 2HG LYS 51 1HG LYS 51 -30.815 -39.569 44.230 436 1HD LYS 51 2HD LYS 51 -29.149 -40.697 45.485 437 2HD LYS 51 1HD LYS 51 -27.881 -39.620 44.901 438 1HE LYS 51 2HE LYS 51 -30.206 -38.697 46.578 439 2HE LYS 51 1HE LYS 51 -28.657 -39.195 47.257 440 1HZ LYS 51 1HZ LYS 51 -27.580 -37.454 45.971 441 2HZ LYS 51 2HZ LYS 51 -28.770 -36.802 46.988 442 3HZ LYS 51 3HZ LYS 51 -29.073 -36.967 45.328 443 H LYS 52 H LYS 52 -30.522 -42.453 44.871 444 HA LYS 52 HA LYS 52 -33.085 -42.850 43.514 445 1HB LYS 52 2HB LYS 52 -33.358 -44.759 45.145 446 2HB LYS 52 1HB LYS 52 -32.187 -45.016 43.869 447 1HG LYS 52 2HG LYS 52 -30.386 -44.496 45.434 448 2HG LYS 52 1HG LYS 52 -31.573 -44.241 46.717 449 1HD LYS 52 2HD LYS 52 -32.309 -46.564 46.494 450 2HD LYS 52 1HD LYS 52 -31.134 -46.817 45.204 451 1HE LYS 52 2HE LYS 52 -29.314 -46.352 46.768 452 2HE LYS 52 1HE LYS 52 -30.484 -46.071 48.056 453 1HZ LYS 52 1HZ LYS 52 -31.208 -48.368 47.857 454 2HZ LYS 52 2HZ LYS 52 -29.546 -48.296 48.185 455 3HZ LYS 52 3HZ LYS 52 -30.086 -48.646 46.614 456 H ILE 53 H ILE 53 -34.916 -42.269 44.653 457 HA ILE 53 HA ILE 53 -34.378 -40.614 47.014 458 HB ILE 53 HB ILE 53 -36.857 -40.652 45.265 459 1HG1 ILE 53 2HG1 ILE 53 -36.000 -38.266 44.730 460 2HG1 ILE 53 1HG1 ILE 53 -34.450 -38.833 45.326 461 1HG2 ILE 53 1HG2 ILE 53 -36.080 -38.852 47.551 462 2HG2 ILE 53 2HG2 ILE 53 -37.405 -40.016 47.515 463 3HG2 ILE 53 3HG2 ILE 53 -37.455 -38.590 46.480 464 1HD1 ILE 53 1HD1 ILE 53 -34.401 -40.549 43.614 465 2HD1 ILE 53 2HD1 ILE 53 -34.596 -38.947 42.900 466 3HD1 ILE 53 3HD1 ILE 53 -35.982 -40.029 43.036 467 H ARG 54 H ARG 54 -34.282 -42.173 48.564 468 HA ARG 54 HA ARG 54 -36.524 -43.961 48.992 469 1HB ARG 54 2HB ARG 54 -34.377 -44.906 49.415 470 2HB ARG 54 1HB ARG 54 -33.889 -43.539 50.406 471 1HG ARG 54 2HG ARG 54 -35.530 -44.198 52.104 472 2HG ARG 54 1HG ARG 54 -35.988 -45.585 51.110 473 1HD ARG 54 2HD ARG 54 -33.856 -46.575 51.344 474 2HD ARG 54 1HD ARG 54 -33.163 -45.097 52.005 475 HE ARG 54 HE ARG 54 -35.233 -46.569 53.497 476 1HH1 ARG 54 1HH1 ARG 54 -31.981 -45.294 53.229 477 2HH1 ARG 54 2HH1 ARG 54 -31.595 -45.574 54.902 478 1HH2 ARG 54 1HH2 ARG 54 -34.718 -46.973 55.691 479 2HH2 ARG 54 2HH2 ARG 54 -33.136 -46.558 56.298 480 H ASP 55 H ASP 55 -38.290 -43.138 49.886 481 HA ASP 55 HA ASP 55 -37.966 -41.215 52.095 482 1HB ASP 55 2HB ASP 55 -38.980 -40.318 49.921 483 2HB ASP 55 1HB ASP 55 -40.379 -41.315 50.284 484 H GLY 56 H GLY 56 -39.873 -41.236 53.592 485 1HA GLY 56 2HA GLY 56 -40.363 -44.060 54.221 486 2HA GLY 56 1HA GLY 56 -40.390 -42.731 55.369 487 H THR 57 H THR 57 -42.224 -44.711 53.290 488 HA THR 57 HA THR 57 -44.628 -43.109 53.520 489 HB THR 57 HB THR 57 -44.440 -45.995 52.663 490 HG1 THR 57 HG1 THR 57 -44.346 -43.687 50.985 491 1HG2 THR 57 1HG2 THR 57 -46.471 -45.456 51.385 492 2HG2 THR 57 2HG2 THR 57 -46.446 -43.823 52.050 493 3HG2 THR 57 3HG2 THR 57 -46.703 -45.204 53.117 494 H TRP 58 H TRP 58 -46.170 -43.355 55.038 495 HA TRP 58 HA TRP 58 -45.378 -45.005 57.322 496 1HB TRP 58 2HB TRP 58 -45.751 -42.449 57.454 497 2HB TRP 58 1HB TRP 58 -47.469 -42.840 57.389 498 HD1 TRP 58 HD1 TRP 58 -48.595 -43.432 59.641 499 HE1 TRP 58 HE1 TRP 58 -47.751 -43.882 62.034 500 HE3 TRP 58 HE3 TRP 58 -43.567 -43.560 58.722 501 HZ2 TRP 58 HZ2 TRP 58 -45.278 -44.253 63.353 502 HZ3 TRP 58 HZ3 TRP 58 -42.034 -43.972 60.602 503 HH2 TRP 58 HH2 TRP 58 -42.873 -44.310 62.864 504 H MET 59 H MET 59 -46.744 -46.425 58.302 505 HA MET 59 HA MET 59 -49.109 -47.218 56.759 506 1HB MET 59 2HB MET 59 -48.930 -49.379 57.866 507 2HB MET 59 1HB MET 59 -47.383 -48.956 57.147 508 1HG MET 59 2HG MET 59 -46.493 -48.334 59.297 509 2HG MET 59 1HG MET 59 -48.065 -48.579 60.055 510 1HE MET 59 1HE MET 59 -45.958 -51.505 61.551 511 2HE MET 59 2HE MET 59 -47.010 -50.135 61.909 512 3HE MET 59 3HE MET 59 -45.417 -49.863 61.203 513 H SER 60 H SER 60 -51.116 -47.443 57.727 514 HA SER 60 HA SER 60 -51.555 -45.849 60.071 515 1HB SER 60 2HB SER 60 -53.503 -47.569 58.538 516 2HB SER 60 1HB SER 60 -53.919 -46.322 59.707 517 HG SER 60 HG SER 60 -54.075 -45.284 57.809 518 H SER 61 H SER 61 -51.029 -46.629 61.962 519 HA SER 61 HA SER 61 -51.276 -49.491 62.510 520 1HB SER 61 2HB SER 61 -49.989 -47.326 64.188 521 2HB SER 61 1HB SER 61 -49.839 -49.068 64.421 522 HG SER 61 HG SER 61 -49.155 -48.585 61.932 523 H LEU 62 H LEU 62 -53.250 -46.969 62.676 524 HA LEU 62 HA LEU 62 -54.444 -47.711 65.247 525 1HB LEU 62 2HB LEU 62 -53.966 -45.359 65.103 526 2HB LEU 62 1HB LEU 62 -54.717 -45.250 63.524 527 HG LEU 62 HG LEU 62 -56.903 -45.759 64.569 528 1HD1 LEU 62 1HD1 LEU 62 -56.128 -46.956 66.535 529 2HD1 LEU 62 2HD1 LEU 62 -57.121 -45.577 67.003 530 3HD1 LEU 62 3HD1 LEU 62 -55.366 -45.488 67.149 531 1HD2 LEU 62 1HD2 LEU 62 -56.226 -43.457 64.123 532 2HD2 LEU 62 2HD2 LEU 62 -55.460 -43.369 65.709 533 3HD2 LEU 62 3HD2 LEU 62 -57.209 -43.561 65.582 534 H GLU 63 H GLU 63 -56.199 -48.957 65.184 535 HA GLU 63 HA GLU 63 -57.598 -49.339 62.655 536 1HB GLU 63 2HB GLU 63 -56.980 -51.346 63.881 537 2HB GLU 63 1HB GLU 63 -57.816 -50.768 65.315 538 1HG GLU 63 2HG GLU 63 -59.940 -51.000 64.256 539 2HG GLU 63 1HG GLU 63 -59.186 -51.353 62.703 540 H HIS 64 H HIS 64 -59.855 -49.064 62.446 541 HA HIS 64 HA HIS 64 -60.887 -46.832 63.952 542 1HB HIS 64 2HB HIS 64 -62.152 -48.521 61.777 543 2HB HIS 64 1HB HIS 64 -62.883 -47.080 62.473 544 HD1 HIS 64 HD1 HIS 64 -62.601 -45.115 61.008 545 HD2 HIS 64 HD2 HIS 64 -59.372 -47.722 60.709 546 HE1 HIS 64 HE1 HIS 64 -61.060 -44.100 59.301 547 HE2 HIS 64 HE2 HIS 64 -59.202 -45.776 59.013 548 H HIS 65 H HIS 65 -60.680 -48.162 65.982 549 HA HIS 65 HA HIS 65 -62.665 -50.251 66.288 550 1HB HIS 65 2HB HIS 65 -61.692 -50.602 68.528 551 2HB HIS 65 1HB HIS 65 -60.501 -50.709 67.242 552 HD1 HIS 65 HD1 HIS 65 -61.418 -48.752 70.277 553 HD2 HIS 65 HD2 HIS 65 -58.540 -48.678 67.271 554 HE1 HIS 65 HE1 HIS 65 -59.614 -47.205 71.097 555 HE2 HIS 65 HE2 HIS 65 -57.787 -47.364 69.371 556 H HIS 66 H HIS 66 -64.381 -50.249 67.563 557 HA HIS 66 HA HIS 66 -66.125 -49.559 68.789 558 1HB HIS 66 2HB HIS 66 -64.451 -48.656 70.418 559 2HB HIS 66 1HB HIS 66 -64.549 -47.107 69.582 560 HD1 HIS 66 HD1 HIS 66 -66.174 -45.532 70.590 561 HD2 HIS 66 HD2 HIS 66 -67.214 -49.491 71.308 562 HE1 HIS 66 HE1 HIS 66 -68.275 -45.441 71.969 563 HE2 HIS 66 HE2 HIS 66 -68.985 -47.851 72.226 564 H HIS 67 H HIS 67 -66.705 -49.327 66.413 565 HA HIS 67 HA HIS 67 -68.017 -46.694 66.234 566 1HB HIS 67 2HB HIS 67 -66.657 -47.120 64.245 567 2HB HIS 67 1HB HIS 67 -67.437 -48.681 64.016 568 HD1 HIS 67 HD1 HIS 67 -69.121 -48.610 62.215 569 HD2 HIS 67 HD2 HIS 67 -68.849 -44.970 64.205 570 HE1 HIS 67 HE1 HIS 67 -70.799 -47.099 61.102 571 HE2 HIS 67 HE2 HIS 67 -70.748 -44.976 62.454 572 H HIS 68 H HIS 68 -69.641 -47.244 67.661 573 HA HIS 68 HA HIS 68 -71.122 -49.700 67.289 574 1HB HIS 68 2HB HIS 68 -70.605 -48.680 69.547 575 2HB HIS 68 1HB HIS 68 -71.760 -47.409 69.158 576 HD1 HIS 68 HD1 HIS 68 -71.608 -51.144 69.720 577 HD2 HIS 68 HD2 HIS 68 -74.366 -48.030 69.705 578 HE1 HIS 68 HE1 HIS 68 -73.740 -52.123 70.621 579 HE2 HIS 68 HE2 HIS 68 -75.304 -50.166 70.838 580 H HIS 69 H HIS 69 -72.637 -49.877 65.828 581 HA HIS 69 HA HIS 69 -73.839 -47.556 64.607 582 1HB HIS 69 2HB HIS 69 -73.196 -49.519 63.256 583 2HB HIS 69 1HB HIS 69 -74.357 -50.498 64.143 584 HD1 HIS 69 HD1 HIS 69 -76.776 -50.402 63.419 585 HD2 HIS 69 HD2 HIS 69 -74.378 -47.631 61.456 586 HE1 HIS 69 HE1 HIS 69 -78.186 -49.495 61.548 587 HE2 HIS 69 HE2 HIS 69 -76.741 -47.768 60.403 588 1H MET 1 1H MET 1 -0.996 -18.276 10.804 589 2H MET 1 2H MET 1 0.263 -18.510 11.916 590 3H MET 1 3H MET 1 0.438 -19.033 10.313 591 HA MET 1 HA MET 1 0.120 -16.211 11.134 592 1HB MET 1 2HB MET 1 2.570 -17.827 10.440 593 2HB MET 1 1HB MET 1 2.539 -16.073 10.324 594 1HG MET 1 2HG MET 1 2.000 -17.655 12.822 595 2HG MET 1 1HG MET 1 3.532 -16.886 12.414 596 1HE MET 1 1HE MET 1 3.572 -15.570 14.695 597 2HE MET 1 2HE MET 1 2.065 -16.357 15.162 598 3HE MET 1 3HE MET 1 2.223 -14.606 15.301 599 HA PRO 2 HA PRO 2 -0.838 -16.070 6.732 600 1HB PRO 2 2HB PRO 2 -1.942 -13.618 6.752 601 2HB PRO 2 1HB PRO 2 -2.815 -15.040 7.333 602 1HG PRO 2 2HG PRO 2 -1.438 -12.895 8.885 603 2HG PRO 2 1HG PRO 2 -2.959 -13.735 9.232 604 1HD PRO 2 2HD PRO 2 -0.529 -14.332 10.411 605 2HD PRO 2 1HD PRO 2 -1.897 -15.455 10.292 606 H LYS 3 H LYS 3 0.216 -15.090 5.013 607 HA LYS 3 HA LYS 3 2.231 -13.056 5.717 608 1HB LYS 3 2HB LYS 3 2.494 -15.306 3.717 609 2HB LYS 3 1HB LYS 3 3.655 -14.001 3.908 610 1HG LYS 3 2HG LYS 3 3.959 -14.735 6.284 611 2HG LYS 3 1HG LYS 3 2.963 -16.141 5.907 612 1HD LYS 3 2HD LYS 3 5.537 -15.392 4.526 613 2HD LYS 3 1HD LYS 3 5.361 -16.639 5.761 614 1HE LYS 3 2HE LYS 3 3.854 -17.883 4.314 615 2HE LYS 3 1HE LYS 3 3.960 -16.618 3.091 616 1HZ LYS 3 1HZ LYS 3 5.402 -18.520 2.609 617 2HZ LYS 3 2HZ LYS 3 6.254 -18.242 4.052 618 3HZ LYS 3 3HZ LYS 3 6.289 -17.086 2.814 619 H ILE 4 H ILE 4 2.919 -11.735 3.821 620 HA ILE 4 HA ILE 4 0.550 -11.040 2.272 621 HB ILE 4 HB ILE 4 1.751 -8.859 1.930 622 1HG1 ILE 4 2HG1 ILE 4 3.954 -9.895 2.829 623 2HG1 ILE 4 1HG1 ILE 4 3.570 -8.225 3.181 624 1HG2 ILE 4 1HG2 ILE 4 1.021 -7.954 4.066 625 2HG2 ILE 4 2HG2 ILE 4 0.892 -9.594 4.701 626 3HG2 ILE 4 3HG2 ILE 4 -0.155 -9.075 3.380 627 1HD1 ILE 4 1HD1 ILE 4 2.777 -8.867 5.401 628 2HD1 ILE 4 2HD1 ILE 4 4.460 -9.327 5.136 629 3HD1 ILE 4 3HD1 ILE 4 3.190 -10.545 5.052 630 H ILE 5 H ILE 5 0.634 -10.789 0.114 631 HA ILE 5 HA ILE 5 3.133 -11.472 -1.256 632 HB ILE 5 HB ILE 5 0.560 -10.833 -2.649 633 1HG1 ILE 5 2HG1 ILE 5 1.311 -13.547 -1.538 634 2HG1 ILE 5 1HG1 ILE 5 0.017 -12.528 -0.922 635 1HG2 ILE 5 1HG2 ILE 5 1.438 -12.354 -4.345 636 2HG2 ILE 5 2HG2 ILE 5 2.849 -12.656 -3.331 637 3HG2 ILE 5 3HG2 ILE 5 2.566 -11.045 -3.990 638 1HD1 ILE 5 1HD1 ILE 5 -1.159 -12.725 -3.046 639 2HD1 ILE 5 2HD1 ILE 5 -0.853 -14.305 -2.325 640 3HD1 ILE 5 3HD1 ILE 5 0.137 -13.745 -3.672 641 H GLU 6 H GLU 6 4.130 -9.959 -2.598 642 HA GLU 6 HA GLU 6 3.176 -7.220 -2.255 643 1HB GLU 6 2HB GLU 6 5.921 -8.307 -2.849 644 2HB GLU 6 1HB GLU 6 5.520 -6.608 -3.022 645 1HG GLU 6 2HG GLU 6 6.472 -6.731 -0.915 646 2HG GLU 6 1HG GLU 6 4.746 -6.737 -0.588 647 H ALA 7 H ALA 7 2.842 -5.909 -3.973 648 HA ALA 7 HA ALA 7 3.227 -7.003 -6.669 649 1HB ALA 7 1HB ALA 7 0.937 -6.370 -7.290 650 2HB ALA 7 2HB ALA 7 0.605 -5.912 -5.618 651 3HB ALA 7 3HB ALA 7 0.946 -7.595 -6.023 652 H VAL 8 H VAL 8 2.893 -5.297 -8.331 653 HA VAL 8 HA VAL 8 3.352 -2.606 -7.272 654 HB VAL 8 HB VAL 8 4.531 -2.206 -9.478 655 1HG1 VAL 8 1HG1 VAL 8 6.660 -3.158 -8.672 656 2HG1 VAL 8 2HG1 VAL 8 5.760 -4.111 -7.494 657 3HG1 VAL 8 3HG1 VAL 8 5.752 -2.350 -7.395 658 1HG2 VAL 8 1HG2 VAL 8 4.605 -5.213 -9.524 659 2HG2 VAL 8 2HG2 VAL 8 5.523 -4.145 -10.584 660 3HG2 VAL 8 3HG2 VAL 8 3.762 -4.174 -10.676 661 H TYR 9 H TYR 9 1.767 -1.250 -7.707 662 HA TYR 9 HA TYR 9 -0.391 -1.706 -9.483 663 1HB TYR 9 2HB TYR 9 -0.618 -0.118 -7.685 664 2HB TYR 9 1HB TYR 9 0.750 0.823 -8.261 665 HD1 TYR 9 HD1 TYR 9 0.516 2.236 -10.278 666 HD2 TYR 9 HD2 TYR 9 -2.813 0.189 -8.595 667 HE1 TYR 9 HE1 TYR 9 -1.003 3.684 -11.550 668 HE2 TYR 9 HE2 TYR 9 -4.343 1.632 -9.871 669 HH TYR 9 HH TYR 9 -4.283 3.929 -10.910 670 H GLU 10 H GLU 10 -0.467 -1.621 -11.640 671 HA GLU 10 HA GLU 10 1.310 0.230 -13.029 672 1HB GLU 10 2HB GLU 10 0.842 -2.661 -13.612 673 2HB GLU 10 1HB GLU 10 1.436 -1.569 -14.828 674 1HG GLU 10 2HG GLU 10 3.387 -1.083 -13.383 675 2HG GLU 10 1HG GLU 10 2.788 -2.285 -12.241 676 H ASN 11 H ASN 11 0.016 1.622 -13.858 677 HA ASN 11 HA ASN 11 -1.553 2.575 -15.187 678 1HB ASN 11 2HB ASN 11 -0.369 0.619 -16.634 679 2HB ASN 11 1HB ASN 11 -2.053 0.136 -16.750 680 1HD2 ASN 11 1HD2 ASN 11 -3.527 1.470 -17.801 681 2HD2 ASN 11 2HD2 ASN 11 -3.015 2.742 -18.860 682 H GLY 12 H GLY 12 -2.543 1.272 -12.805 683 1HA GLY 12 2HA GLY 12 -5.039 1.152 -12.470 684 2HA GLY 12 1HA GLY 12 -5.039 0.106 -13.883 685 H VAL 13 H VAL 13 -3.210 -1.611 -13.610 686 HA VAL 13 HA VAL 13 -4.609 -3.165 -11.530 687 HB VAL 13 HB VAL 13 -3.949 -5.158 -12.849 688 1HG1 VAL 13 1HG1 VAL 13 -5.503 -4.755 -14.712 689 2HG1 VAL 13 2HG1 VAL 13 -5.437 -3.025 -14.379 690 3HG1 VAL 13 3HG1 VAL 13 -6.131 -4.126 -13.188 691 1HG2 VAL 13 1HG2 VAL 13 -1.954 -4.293 -13.925 692 2HG2 VAL 13 2HG2 VAL 13 -2.920 -3.116 -14.814 693 3HG2 VAL 13 3HG2 VAL 13 -3.113 -4.838 -15.140 694 H PHE 14 H PHE 14 -3.563 -4.568 -10.154 695 HA PHE 14 HA PHE 14 -0.791 -3.844 -9.621 696 1HB PHE 14 2HB PHE 14 -2.783 -5.441 -8.008 697 2HB PHE 14 1HB PHE 14 -1.158 -5.041 -7.483 698 HD1 PHE 14 HD1 PHE 14 -0.595 -2.815 -6.752 699 HD2 PHE 14 HD2 PHE 14 -4.525 -3.740 -8.093 700 HE1 PHE 14 HE1 PHE 14 -1.422 -0.714 -5.776 701 HE2 PHE 14 HE2 PHE 14 -5.354 -1.638 -7.118 702 HZ PHE 14 HZ PHE 14 -3.804 -0.124 -5.959 703 H LYS 15 H LYS 15 0.742 -5.031 -10.498 704 HA LYS 15 HA LYS 15 0.295 -7.900 -10.924 705 1HB LYS 15 2HB LYS 15 2.402 -5.965 -11.890 706 2HB LYS 15 1HB LYS 15 2.638 -7.698 -11.991 707 1HG LYS 15 2HG LYS 15 1.866 -7.188 -14.077 708 2HG LYS 15 1HG LYS 15 0.392 -7.686 -13.252 709 1HD LYS 15 2HD LYS 15 -0.400 -5.501 -13.082 710 2HD LYS 15 1HD LYS 15 1.200 -4.802 -13.337 711 1HE LYS 15 2HE LYS 15 -0.390 -6.298 -15.421 712 2HE LYS 15 1HE LYS 15 -0.294 -4.542 -15.295 713 1HZ LYS 15 1HZ LYS 15 2.143 -4.743 -15.594 714 2HZ LYS 15 2HZ LYS 15 1.260 -5.281 -16.937 715 3HZ LYS 15 3HZ LYS 15 1.949 -6.406 -15.876 716 HA PRO 16 HA PRO 16 2.561 -8.461 -7.092 717 1HB PRO 16 2HB PRO 16 2.775 -11.178 -7.288 718 2HB PRO 16 1HB PRO 16 1.357 -10.336 -6.653 719 1HG PRO 16 2HG PRO 16 1.812 -11.506 -9.362 720 2HG PRO 16 1HG PRO 16 0.345 -11.506 -8.369 721 1HD PRO 16 2HD PRO 16 0.702 -9.818 -10.450 722 2HD PRO 16 1HD PRO 16 -0.243 -9.378 -9.014 723 H LEU 17 H LEU 17 4.598 -9.406 -6.457 724 HA LEU 17 HA LEU 17 6.489 -9.791 -8.678 725 1HB LEU 17 2HB LEU 17 7.012 -9.038 -5.796 726 2HB LEU 17 1HB LEU 17 8.268 -9.394 -6.964 727 HG LEU 17 HG LEU 17 7.168 -7.452 -8.333 728 1HD1 LEU 17 1HD1 LEU 17 5.224 -7.159 -6.919 729 2HD1 LEU 17 2HD1 LEU 17 6.220 -5.703 -6.922 730 3HD1 LEU 17 3HD1 LEU 17 6.263 -6.797 -5.539 731 1HD2 LEU 17 1HD2 LEU 17 8.650 -5.850 -7.213 732 2HD2 LEU 17 2HD2 LEU 17 9.432 -7.411 -7.461 733 3HD2 LEU 17 3HD2 LEU 17 8.829 -6.971 -5.862 734 H GLN 18 H GLN 18 4.692 -11.236 -6.320 735 HA GLN 18 HA GLN 18 6.306 -13.708 -6.488 736 1HB GLN 18 2HB GLN 18 4.331 -12.851 -4.364 737 2HB GLN 18 1HB GLN 18 5.033 -14.457 -4.463 738 1HG GLN 18 2HG GLN 18 7.273 -13.429 -4.186 739 2HG GLN 18 1HG GLN 18 6.477 -11.874 -3.929 740 1HE2 GLN 18 1HE2 GLN 18 5.313 -11.535 -2.031 741 2HE2 GLN 18 2HE2 GLN 18 5.449 -12.581 -0.667 742 H LYS 19 H LYS 19 5.217 -15.601 -7.108 743 HA LYS 19 HA LYS 19 2.881 -15.171 -8.696 744 1HB LYS 19 2HB LYS 19 4.390 -17.670 -7.954 745 2HB LYS 19 1HB LYS 19 2.989 -17.662 -9.018 746 1HG LYS 19 2HG LYS 19 4.152 -16.183 -10.562 747 2HG LYS 19 1HG LYS 19 5.555 -16.161 -9.492 748 1HD LYS 19 2HD LYS 19 5.785 -18.586 -9.783 749 2HD LYS 19 1HD LYS 19 4.406 -18.580 -10.878 750 1HE LYS 19 2HE LYS 19 6.549 -18.606 -12.081 751 2HE LYS 19 1HE LYS 19 5.600 -17.165 -12.434 752 1HZ LYS 19 1HZ LYS 19 7.011 -15.835 -11.157 753 2HZ LYS 19 2HZ LYS 19 8.073 -16.865 -11.985 754 3HZ LYS 19 3HZ LYS 19 7.705 -17.156 -10.355 755 H VAL 20 H VAL 20 0.854 -16.303 -8.409 756 HA VAL 20 HA VAL 20 0.164 -16.252 -5.543 757 HB VAL 20 HB VAL 20 -1.809 -15.582 -7.708 758 1HG1 VAL 20 1HG1 VAL 20 -2.655 -15.961 -5.454 759 2HG1 VAL 20 2HG1 VAL 20 -2.860 -14.280 -5.935 760 3HG1 VAL 20 3HG1 VAL 20 -1.563 -14.730 -4.828 761 1HG2 VAL 20 1HG2 VAL 20 -1.260 -13.220 -7.488 762 2HG2 VAL 20 2HG2 VAL 20 0.117 -14.131 -8.109 763 3HG2 VAL 20 3HG2 VAL 20 0.086 -13.620 -6.420 764 H ASP 21 H ASP 21 -1.354 -17.647 -4.766 765 HA ASP 21 HA ASP 21 -1.920 -20.009 -6.436 766 1HB ASP 21 2HB ASP 21 -0.042 -20.285 -4.814 767 2HB ASP 21 1HB ASP 21 -1.163 -19.971 -3.505 768 H LEU 22 H LEU 22 -3.347 -17.540 -5.441 769 HA LEU 22 HA LEU 22 -5.512 -18.568 -3.832 770 1HB LEU 22 2HB LEU 22 -5.010 -15.875 -5.097 771 2HB LEU 22 1HB LEU 22 -6.386 -16.248 -4.088 772 HG LEU 22 HG LEU 22 -3.499 -16.281 -3.200 773 1HD1 LEU 22 1HD1 LEU 22 -4.382 -14.031 -3.591 774 2HD1 LEU 22 2HD1 LEU 22 -4.095 -14.336 -1.879 775 3HD1 LEU 22 3HD1 LEU 22 -5.738 -14.381 -2.517 776 1HD2 LEU 22 1HD2 LEU 22 -4.408 -16.621 -0.955 777 2HD2 LEU 22 2HD2 LEU 22 -4.821 -17.959 -2.026 778 3HD2 LEU 22 3HD2 LEU 22 -6.035 -16.744 -1.632 779 H LYS 23 H LYS 23 -7.696 -17.168 -4.971 780 HA LYS 23 HA LYS 23 -7.957 -18.648 -7.476 781 1HB LYS 23 2HB LYS 23 -10.311 -18.964 -6.974 782 2HB LYS 23 1HB LYS 23 -9.306 -19.675 -5.731 783 1HG LYS 23 2HG LYS 23 -9.765 -17.798 -4.268 784 2HG LYS 23 1HG LYS 23 -10.729 -17.025 -5.532 785 1HD LYS 23 2HD LYS 23 -12.308 -18.861 -5.492 786 2HD LYS 23 1HD LYS 23 -11.309 -19.728 -4.326 787 1HE LYS 23 2HE LYS 23 -13.147 -18.715 -3.165 788 2HE LYS 23 1HE LYS 23 -11.662 -17.880 -2.715 789 1HZ LYS 23 1HZ LYS 23 -13.594 -16.902 -4.752 790 2HZ LYS 23 2HZ LYS 23 -12.234 -16.080 -4.164 791 3HZ LYS 23 3HZ LYS 23 -13.547 -16.386 -3.142 792 H GLU 24 H GLU 24 -9.328 -17.788 -9.098 793 HA GLU 24 HA GLU 24 -9.102 -14.966 -9.317 794 1HB GLU 24 2HB GLU 24 -10.508 -17.029 -11.014 795 2HB GLU 24 1HB GLU 24 -10.407 -15.331 -11.422 796 1HG GLU 24 2HG GLU 24 -7.940 -15.493 -11.359 797 2HG GLU 24 1HG GLU 24 -8.103 -17.227 -11.101 798 H GLY 25 H GLY 25 -10.562 -13.441 -9.130 799 1HA GLY 25 2HA GLY 25 -12.188 -12.365 -7.921 800 2HA GLY 25 1HA GLY 25 -13.163 -13.824 -8.047 801 H GLU 26 H GLU 26 -10.103 -12.913 -6.584 802 HA GLU 26 HA GLU 26 -11.071 -13.930 -4.010 803 1HB GLU 26 2HB GLU 26 -8.575 -14.141 -5.411 804 2HB GLU 26 1HB GLU 26 -8.307 -13.276 -3.903 805 1HG GLU 26 2HG GLU 26 -9.474 -16.006 -4.278 806 2HG GLU 26 1HG GLU 26 -7.952 -15.561 -3.533 807 H ARG 27 H ARG 27 -11.273 -12.549 -2.300 808 HA ARG 27 HA ARG 27 -11.227 -9.721 -3.020 809 1HB ARG 27 2HB ARG 27 -12.473 -11.178 -0.713 810 2HB ARG 27 1HB ARG 27 -12.424 -9.438 -0.810 811 1HG ARG 27 2HG ARG 27 -14.579 -10.222 -1.529 812 2HG ARG 27 1HG ARG 27 -13.710 -9.525 -2.897 813 1HD ARG 27 2HD ARG 27 -13.245 -11.636 -3.810 814 2HD ARG 27 1HD ARG 27 -13.689 -12.468 -2.325 815 HE ARG 27 HE ARG 27 -15.824 -10.979 -3.611 816 1HH1 ARG 27 1HH1 ARG 27 -14.234 -14.074 -3.225 817 2HH1 ARG 27 2HH1 ARG 27 -15.590 -14.983 -3.827 818 1HH2 ARG 27 1HH2 ARG 27 -17.613 -12.175 -4.377 819 2HH2 ARG 27 2HH2 ARG 27 -17.499 -13.910 -4.476 820 H VAL 28 H VAL 28 -9.746 -8.456 -2.441 821 HA VAL 28 HA VAL 28 -8.108 -8.980 -0.077 822 HB VAL 28 HB VAL 28 -6.030 -8.558 -1.349 823 1HG1 VAL 28 1HG1 VAL 28 -6.667 -10.842 -0.844 824 2HG1 VAL 28 2HG1 VAL 28 -5.876 -10.753 -2.418 825 3HG1 VAL 28 3HG1 VAL 28 -7.629 -10.918 -2.320 826 1HG2 VAL 28 1HG2 VAL 28 -6.053 -8.742 -3.803 827 2HG2 VAL 28 2HG2 VAL 28 -6.949 -7.335 -3.231 828 3HG2 VAL 28 3HG2 VAL 28 -7.818 -8.771 -3.769 829 H LYS 29 H LYS 29 -6.622 -7.177 0.388 830 HA LYS 29 HA LYS 29 -7.643 -4.574 -0.502 831 1HB LYS 29 2HB LYS 29 -6.757 -5.499 2.224 832 2HB LYS 29 1HB LYS 29 -6.802 -3.805 1.786 833 1HG LYS 29 2HG LYS 29 -9.187 -3.948 1.377 834 2HG LYS 29 1HG LYS 29 -9.154 -5.674 1.758 835 1HD LYS 29 2HD LYS 29 -8.350 -5.138 4.009 836 2HD LYS 29 1HD LYS 29 -8.442 -3.418 3.631 837 1HE LYS 29 2HE LYS 29 -10.824 -5.224 3.386 838 2HE LYS 29 1HE LYS 29 -10.390 -4.472 4.916 839 1HZ LYS 29 1HZ LYS 29 -10.683 -2.799 2.504 840 2HZ LYS 29 2HZ LYS 29 -10.900 -2.386 4.140 841 3HZ LYS 29 3HZ LYS 29 -12.064 -3.322 3.342 842 H ILE 30 H ILE 30 -6.067 -2.928 -0.598 843 HA ILE 30 HA ILE 30 -3.301 -3.906 -0.941 844 HB ILE 30 HB ILE 30 -4.284 -1.397 -2.233 845 1HG1 ILE 30 2HG1 ILE 30 -5.894 -3.125 -2.952 846 2HG1 ILE 30 1HG1 ILE 30 -4.868 -2.599 -4.280 847 1HG2 ILE 30 1HG2 ILE 30 -1.921 -1.816 -2.211 848 2HG2 ILE 30 2HG2 ILE 30 -2.526 -1.956 -3.863 849 3HG2 ILE 30 3HG2 ILE 30 -2.163 -3.407 -2.929 850 1HD1 ILE 30 1HD1 ILE 30 -4.543 -5.132 -2.698 851 2HD1 ILE 30 2HD1 ILE 30 -3.508 -4.604 -4.024 852 3HD1 ILE 30 3HD1 ILE 30 -5.200 -4.995 -4.330 853 H LYS 31 H LYS 31 -1.715 -2.749 -0.024 854 HA LYS 31 HA LYS 31 -2.236 -0.161 1.145 855 1HB LYS 31 2HB LYS 31 -2.932 -1.741 2.915 856 2HB LYS 31 1HB LYS 31 -1.354 -2.503 2.850 857 1HG LYS 31 2HG LYS 31 -0.310 -0.459 3.634 858 2HG LYS 31 1HG LYS 31 -1.879 0.353 3.648 859 1HD LYS 31 2HD LYS 31 -2.692 -1.340 5.253 860 2HD LYS 31 1HD LYS 31 -1.075 -2.040 5.294 861 1HE LYS 31 2HE LYS 31 -0.183 0.074 6.149 862 2HE LYS 31 1HE LYS 31 -1.800 0.775 6.103 863 1HZ LYS 31 1HZ LYS 31 -0.996 -1.570 7.740 864 2HZ LYS 31 2HZ LYS 31 -2.531 -0.849 7.717 865 3HZ LYS 31 3HZ LYS 31 -1.201 0.007 8.330 866 H LEU 32 H LEU 32 -0.518 1.059 0.778 867 HA LEU 32 HA LEU 32 1.815 -0.023 -0.442 868 1HB LEU 32 2HB LEU 32 1.454 2.767 0.642 869 2HB LEU 32 1HB LEU 32 2.587 2.245 -0.583 870 HG LEU 32 HG LEU 32 0.290 1.566 -1.803 871 1HD1 LEU 32 1HD1 LEU 32 -0.390 3.899 -0.029 872 2HD1 LEU 32 2HD1 LEU 32 -1.230 2.355 -0.156 873 3HD1 LEU 32 3HD1 LEU 32 -1.278 3.494 -1.498 874 1HD2 LEU 32 1HD2 LEU 32 1.538 4.303 -1.806 875 2HD2 LEU 32 2HD2 LEU 32 0.501 3.629 -3.067 876 3HD2 LEU 32 3HD2 LEU 32 2.078 2.909 -2.743 877 H GLU 33 H GLU 33 3.502 -0.878 0.606 878 HA GLU 33 HA GLU 33 3.975 -0.142 3.373 879 1HB GLU 33 2HB GLU 33 2.165 -2.067 2.920 880 2HB GLU 33 1HB GLU 33 3.626 -3.044 2.898 881 1HG GLU 33 2HG GLU 33 4.223 -2.102 5.089 882 2HG GLU 33 1HG GLU 33 2.679 -1.258 5.116 883 H LEU 34 H LEU 34 5.729 -1.599 4.297 884 HA LEU 34 HA LEU 34 7.812 -2.074 2.290 885 1HB LEU 34 2HB LEU 34 9.442 -1.153 3.761 886 2HB LEU 34 1HB LEU 34 8.159 0.022 3.592 887 HG LEU 34 HG LEU 34 8.131 -1.867 5.899 888 1HD1 LEU 34 1HD1 LEU 34 9.433 -0.262 7.222 889 2HD1 LEU 34 2HD1 LEU 34 9.738 0.677 5.759 890 3HD1 LEU 34 3HD1 LEU 34 10.383 -0.959 5.910 891 1HD2 LEU 34 1HD2 LEU 34 7.037 0.044 7.016 892 2HD2 LEU 34 2HD2 LEU 34 6.173 -0.464 5.566 893 3HD2 LEU 34 3HD2 LEU 34 7.189 0.977 5.529 894 H LYS 35 H LYS 35 9.564 -3.526 3.140 895 HA LYS 35 HA LYS 35 8.470 -5.449 5.088 896 1HB LYS 35 2HB LYS 35 8.548 -6.367 2.772 897 2HB LYS 35 1HB LYS 35 10.288 -6.131 2.763 898 1HG LYS 35 2HG LYS 35 10.324 -7.625 4.825 899 2HG LYS 35 1HG LYS 35 8.659 -8.035 4.414 900 1HD LYS 35 2HD LYS 35 11.009 -8.364 2.554 901 2HD LYS 35 1HD LYS 35 10.348 -9.649 3.562 902 1HE LYS 35 2HE LYS 35 8.226 -9.510 2.407 903 2HE LYS 35 1HE LYS 35 8.806 -8.143 1.453 904 1HZ LYS 35 1HZ LYS 35 9.980 -10.873 1.406 905 2HZ LYS 35 2HZ LYS 35 10.448 -9.559 0.443 906 3HZ LYS 35 3HZ LYS 35 8.914 -10.252 0.237 907 H VAL 36 H VAL 36 10.117 -6.612 6.300 908 HA VAL 36 HA VAL 36 12.306 -4.822 6.989 909 HB VAL 36 HB VAL 36 10.957 -5.570 8.822 910 1HG1 VAL 36 1HG1 VAL 36 11.735 -8.379 8.059 911 2HG1 VAL 36 2HG1 VAL 36 10.124 -7.669 7.930 912 3HG1 VAL 36 3HG1 VAL 36 10.854 -7.920 9.515 913 1HG2 VAL 36 1HG2 VAL 36 13.674 -6.867 8.882 914 2HG2 VAL 36 2HG2 VAL 36 12.686 -6.498 10.296 915 3HG2 VAL 36 3HG2 VAL 36 13.304 -5.190 9.287 916 H GLU 37 H GLU 37 14.375 -5.281 6.769 917 HA GLU 37 HA GLU 37 15.244 -7.967 6.048 918 1HB GLU 37 2HB GLU 37 14.846 -6.705 3.948 919 2HB GLU 37 1HB GLU 37 15.987 -5.484 4.488 920 1HG GLU 37 2HG GLU 37 17.027 -6.948 2.922 921 2HG GLU 37 1HG GLU 37 17.761 -7.166 4.501 922 HA PRO 38 HA PRO 38 18.067 -6.033 9.060 923 1HB PRO 38 2HB PRO 38 17.954 -7.937 10.927 924 2HB PRO 38 1HB PRO 38 16.616 -6.805 10.695 925 1HG PRO 38 2HG PRO 38 16.825 -9.665 9.932 926 2HG PRO 38 1HG PRO 38 15.396 -8.720 10.375 927 1HD PRO 38 2HD PRO 38 16.298 -9.368 7.753 928 2HD PRO 38 1HD PRO 38 14.947 -8.307 8.198 929 H ILE 39 H ILE 39 19.754 -7.579 10.546 930 HA ILE 39 HA ILE 39 21.326 -9.008 8.531 931 HB ILE 39 HB ILE 39 23.228 -8.496 10.222 932 1HG1 ILE 39 2HG1 ILE 39 22.859 -6.139 11.198 933 2HG1 ILE 39 1HG1 ILE 39 21.141 -6.468 11.002 934 1HG2 ILE 39 1HG2 ILE 39 23.711 -6.394 9.054 935 2HG2 ILE 39 2HG2 ILE 39 22.065 -6.393 8.421 936 3HG2 ILE 39 3HG2 ILE 39 23.186 -7.677 7.965 937 1HD1 ILE 39 1HD1 ILE 39 21.897 -6.911 13.274 938 2HD1 ILE 39 2HD1 ILE 39 23.054 -8.095 12.666 939 3HD1 ILE 39 3HD1 ILE 39 21.322 -8.380 12.488 940 H ASP 40 H ASP 40 22.549 -10.832 9.227 941 HA ASP 40 HA ASP 40 21.217 -12.352 11.330 942 1HB ASP 40 2HB ASP 40 21.569 -13.465 9.183 943 2HB ASP 40 1HB ASP 40 23.299 -13.159 9.281 944 H LEU 41 H LEU 41 24.494 -11.452 10.351 945 HA LEU 41 HA LEU 41 26.373 -10.948 11.494 946 1HB LEU 41 2HB LEU 41 24.911 -9.535 12.882 947 2HB LEU 41 1HB LEU 41 24.612 -10.899 13.941 948 HG LEU 41 HG LEU 41 26.999 -10.942 14.554 949 1HD1 LEU 41 1HD1 LEU 41 27.907 -10.021 12.482 950 2HD1 LEU 41 2HD1 LEU 41 28.464 -9.119 13.892 951 3HD1 LEU 41 3HD1 LEU 41 27.194 -8.454 12.865 952 1HD2 LEU 41 1HD2 LEU 41 25.689 -8.251 14.893 953 2HD2 LEU 41 2HD2 LEU 41 27.000 -8.897 15.880 954 3HD2 LEU 41 3HD2 LEU 41 25.415 -9.671 15.901 955 H GLY 42 H GLY 42 27.901 -12.411 11.663 956 1HA GLY 42 2HA GLY 42 27.255 -15.024 12.760 957 2HA GLY 42 1HA GLY 42 28.679 -14.614 11.817 958 H GLU 43 H GLU 43 30.240 -15.376 13.122 959 HA GLU 43 HA GLU 43 30.271 -14.500 15.919 960 1HB GLU 43 2HB GLU 43 31.485 -16.916 14.593 961 2HB GLU 43 1HB GLU 43 31.687 -16.498 16.279 962 1HG GLU 43 2HG GLU 43 29.307 -16.764 16.657 963 2HG GLU 43 1HG GLU 43 29.070 -17.119 14.945 964 HA PRO 44 HA PRO 44 34.226 -12.545 15.151 965 1HB PRO 44 2HB PRO 44 35.326 -12.628 17.603 966 2HB PRO 44 1HB PRO 44 33.917 -11.618 17.253 967 1HG PRO 44 2HG PRO 44 34.039 -14.308 18.568 968 2HG PRO 44 1HG PRO 44 33.097 -12.878 19.030 969 1HD PRO 44 2HD PRO 44 32.052 -14.976 17.633 970 2HD PRO 44 1HD PRO 44 31.444 -13.316 17.502 971 H VAL 45 H VAL 45 36.633 -12.922 15.591 972 HA VAL 45 HA VAL 45 37.231 -15.636 14.748 973 HB VAL 45 HB VAL 45 39.236 -13.433 15.116 974 1HG1 VAL 45 1HG1 VAL 45 39.163 -15.849 13.310 975 2HG1 VAL 45 2HG1 VAL 45 40.182 -15.628 14.732 976 3HG1 VAL 45 3HG1 VAL 45 40.433 -14.623 13.305 977 1HG2 VAL 45 1HG2 VAL 45 37.511 -13.912 12.695 978 2HG2 VAL 45 2HG2 VAL 45 38.888 -12.813 12.773 979 3HG2 VAL 45 3HG2 VAL 45 37.459 -12.501 13.759 980 H SER 46 H SER 46 38.929 -16.891 15.734 981 HA SER 46 HA SER 46 38.843 -16.753 18.626 982 1HB SER 46 2HB SER 46 40.106 -18.863 16.866 983 2HB SER 46 1HB SER 46 39.634 -19.024 18.552 984 HG SER 46 HG SER 46 37.503 -18.949 17.966 985 H VAL 47 H VAL 47 40.939 -17.434 19.776 986 HA VAL 47 HA VAL 47 43.280 -16.151 18.534 987 HB VAL 47 HB VAL 47 42.298 -14.678 20.223 988 1HG1 VAL 47 1HG1 VAL 47 42.304 -15.283 22.597 989 2HG1 VAL 47 2HG1 VAL 47 42.794 -16.922 22.164 990 3HG1 VAL 47 3HG1 VAL 47 41.226 -16.303 21.648 991 1HG2 VAL 47 1HG2 VAL 47 44.687 -14.578 19.887 992 2HG2 VAL 47 2HG2 VAL 47 44.934 -15.878 21.054 993 3HG2 VAL 47 3HG2 VAL 47 44.312 -14.315 21.589 994 H GLU 48 H GLU 48 45.220 -17.173 18.795 995 HA GLU 48 HA GLU 48 45.173 -19.750 20.232 996 1HB GLU 48 2HB GLU 48 46.111 -19.135 17.452 997 2HB GLU 48 1HB GLU 48 46.809 -20.478 18.346 998 1HG GLU 48 2HG GLU 48 43.853 -20.181 17.920 999 2HG GLU 48 1HG GLU 48 44.906 -21.019 16.781 1000 H GLU 49 H GLU 49 46.965 -16.956 19.272 1001 HA GLU 49 HA GLU 49 49.534 -17.846 20.039 1002 1HB GLU 49 2HB GLU 49 50.017 -15.306 20.104 1003 2HB GLU 49 1HB GLU 49 49.607 -16.056 18.570 1004 1HG GLU 49 2HG GLU 49 47.484 -14.786 20.244 1005 2HG GLU 49 1HG GLU 49 48.531 -13.798 19.225 1006 H ILE 50 H ILE 50 46.896 -16.628 21.846 1007 HA ILE 50 HA ILE 50 48.442 -15.726 24.091 1008 HB ILE 50 HB ILE 50 46.166 -14.841 23.458 1009 1HG1 ILE 50 2HG1 ILE 50 46.433 -15.879 26.295 1010 2HG1 ILE 50 1HG1 ILE 50 47.206 -14.423 25.675 1011 1HG2 ILE 50 1HG2 ILE 50 45.234 -17.430 24.689 1012 2HG2 ILE 50 2HG2 ILE 50 45.083 -16.967 22.994 1013 3HG2 ILE 50 3HG2 ILE 50 44.200 -16.074 24.234 1014 1HD1 ILE 50 1HD1 ILE 50 44.247 -14.895 25.928 1015 2HD1 ILE 50 2HD1 ILE 50 44.997 -13.449 25.254 1016 3HD1 ILE 50 3HD1 ILE 50 45.243 -13.859 26.951 1017 H LYS 51 H LYS 51 47.820 -18.722 22.921 1018 HA LYS 51 HA LYS 51 47.096 -20.163 25.272 1019 1HB LYS 51 2HB LYS 51 46.809 -20.896 22.860 1020 2HB LYS 51 1HB LYS 51 48.526 -21.259 22.852 1021 1HG LYS 51 2HG LYS 51 48.167 -22.864 24.686 1022 2HG LYS 51 1HG LYS 51 46.435 -22.523 24.611 1023 1HD LYS 51 2HD LYS 51 48.154 -23.732 22.447 1024 2HD LYS 51 1HD LYS 51 46.868 -24.528 23.356 1025 1HE LYS 51 2HE LYS 51 45.213 -23.052 22.349 1026 2HE LYS 51 1HE LYS 51 46.485 -22.174 21.504 1027 1HZ LYS 51 1HZ LYS 51 45.585 -23.638 19.944 1028 2HZ LYS 51 2HZ LYS 51 45.551 -24.939 21.032 1029 3HZ LYS 51 3HZ LYS 51 47.034 -24.379 20.430 1030 H LYS 52 H LYS 52 48.364 -21.045 26.818 1031 HA LYS 52 HA LYS 52 51.228 -20.488 26.665 1032 1HB LYS 52 2HB LYS 52 51.107 -20.641 29.153 1033 2HB LYS 52 1HB LYS 52 50.194 -19.311 28.472 1034 1HG LYS 52 2HG LYS 52 48.133 -20.571 28.742 1035 2HG LYS 52 1HG LYS 52 49.043 -21.948 29.364 1036 1HD LYS 52 2HD LYS 52 49.808 -20.583 31.248 1037 2HD LYS 52 1HD LYS 52 48.887 -19.212 30.623 1038 1HE LYS 52 2HE LYS 52 46.819 -20.458 30.889 1039 2HE LYS 52 1HE LYS 52 47.719 -21.865 31.456 1040 1HZ LYS 52 1HZ LYS 52 47.611 -19.218 32.804 1041 2HZ LYS 52 2HZ LYS 52 48.473 -20.569 33.352 1042 3HZ LYS 52 3HZ LYS 52 46.779 -20.613 33.298 1043 H ILE 53 H ILE 53 52.713 -22.067 27.385 1044 HA ILE 53 HA ILE 53 51.662 -24.784 27.486 1045 HB ILE 53 HB ILE 53 52.866 -24.572 25.458 1046 1HG1 ILE 53 2HG1 ILE 53 54.907 -25.621 27.393 1047 2HG1 ILE 53 1HG1 ILE 53 53.413 -26.466 27.027 1048 1HG2 ILE 53 1HG2 ILE 53 55.116 -23.626 25.303 1049 2HG2 ILE 53 2HG2 ILE 53 55.077 -23.238 27.024 1050 3HG2 ILE 53 3HG2 ILE 53 53.963 -22.439 25.914 1051 1HD1 ILE 53 1HD1 ILE 53 55.550 -25.731 25.037 1052 2HD1 ILE 53 2HD1 ILE 53 54.068 -26.624 24.687 1053 3HD1 ILE 53 3HD1 ILE 53 55.298 -27.332 25.733 1054 H ARG 54 H ARG 54 52.173 -25.964 29.249 1055 HA ARG 54 HA ARG 54 53.813 -24.830 31.331 1056 1HB ARG 54 2HB ARG 54 52.560 -27.584 31.135 1057 2HB ARG 54 1HB ARG 54 53.303 -26.896 32.573 1058 1HG ARG 54 2HG ARG 54 51.602 -25.113 32.566 1059 2HG ARG 54 1HG ARG 54 50.837 -25.882 31.176 1060 1HD ARG 54 2HD ARG 54 50.555 -27.940 32.554 1061 2HD ARG 54 1HD ARG 54 51.165 -27.036 33.940 1062 HE ARG 54 HE ARG 54 48.975 -25.701 32.685 1063 1HH1 ARG 54 1HH1 ARG 54 49.783 -28.238 34.982 1064 2HH1 ARG 54 2HH1 ARG 54 48.207 -28.237 35.712 1065 1HH2 ARG 54 1HH2 ARG 54 46.941 -25.671 33.678 1066 2HH2 ARG 54 2HH2 ARG 54 46.598 -26.746 35.005 1067 H ASP 55 H ASP 55 55.942 -25.054 31.493 1068 HA ASP 55 HA ASP 55 57.253 -26.824 29.568 1069 1HB ASP 55 2HB ASP 55 57.917 -24.454 29.609 1070 2HB ASP 55 1HB ASP 55 58.436 -24.623 31.277 1071 H GLY 56 H GLY 56 58.874 -28.222 30.115 1072 1HA GLY 56 2HA GLY 56 58.681 -29.241 32.871 1073 2HA GLY 56 1HA GLY 56 59.200 -30.177 31.474 1074 H THR 57 H THR 57 60.114 -27.503 33.584 1075 HA THR 57 HA THR 57 62.762 -27.277 32.591 1076 HB THR 57 HB THR 57 61.843 -26.426 35.324 1077 HG1 THR 57 HG1 THR 57 61.014 -25.566 32.815 1078 1HG2 THR 57 1HG2 THR 57 63.414 -24.581 34.971 1079 2HG2 THR 57 2HG2 THR 57 63.813 -25.222 33.376 1080 3HG2 THR 57 3HG2 THR 57 64.225 -26.139 34.826 1081 H TRP 58 H TRP 58 64.625 -28.235 33.252 1082 HA TRP 58 HA TRP 58 64.373 -30.412 35.186 1083 1HB TRP 58 2HB TRP 58 65.833 -30.053 32.613 1084 2HB TRP 58 1HB TRP 58 66.510 -31.116 33.824 1085 HD1 TRP 58 HD1 TRP 58 64.598 -33.042 34.764 1086 HE1 TRP 58 HE1 TRP 58 63.020 -34.463 33.311 1087 HE3 TRP 58 HE3 TRP 58 64.637 -30.202 30.506 1088 HZ2 TRP 58 HZ2 TRP 58 61.937 -34.391 30.698 1089 HZ3 TRP 58 HZ3 TRP 58 63.304 -30.950 28.577 1090 HH2 TRP 58 HH2 TRP 58 61.982 -33.002 28.674 1091 H MET 59 H MET 59 67.015 -31.003 35.535 1092 HA MET 59 HA MET 59 68.847 -30.554 36.780 1093 1HB MET 59 2HB MET 59 68.194 -27.653 36.237 1094 2HB MET 59 1HB MET 59 69.624 -28.209 37.097 1095 1HG MET 59 2HG MET 59 70.343 -29.430 35.105 1096 2HG MET 59 1HG MET 59 68.916 -28.857 34.244 1097 1HE MET 59 1HE MET 59 71.851 -26.848 32.572 1098 2HE MET 59 2HE MET 59 70.492 -27.935 32.291 1099 3HE MET 59 3HE MET 59 71.912 -28.507 33.171 1100 H SER 60 H SER 60 69.450 -29.290 38.940 1101 HA SER 60 HA SER 60 69.036 -29.245 41.149 1102 1HB SER 60 2HB SER 60 66.389 -28.118 40.238 1103 2HB SER 60 1HB SER 60 67.082 -28.016 41.847 1104 HG SER 60 HG SER 60 68.936 -27.128 40.243 1105 H SER 61 H SER 61 68.310 -31.629 39.670 1106 HA SER 61 HA SER 61 65.822 -32.641 40.695 1107 1HB SER 61 2HB SER 61 66.624 -34.723 39.424 1108 2HB SER 61 1HB SER 61 66.324 -33.261 38.487 1109 HG SER 61 HG SER 61 68.563 -34.666 38.629 1110 H LEU 62 H LEU 62 68.237 -32.120 42.476 1111 HA LEU 62 HA LEU 62 69.488 -33.022 44.124 1112 1HB LEU 62 2HB LEU 62 66.906 -34.507 44.532 1113 2HB LEU 62 1HB LEU 62 68.191 -34.368 45.707 1114 HG LEU 62 HG LEU 62 66.707 -32.779 46.428 1115 1HD1 LEU 62 1HD1 LEU 62 68.887 -31.767 46.226 1116 2HD1 LEU 62 2HD1 LEU 62 67.623 -30.574 45.931 1117 3HD1 LEU 62 3HD1 LEU 62 68.519 -31.261 44.576 1118 1HD2 LEU 62 1HD2 LEU 62 66.218 -31.971 43.574 1119 2HD2 LEU 62 2HD2 LEU 62 65.477 -31.231 44.993 1120 3HD2 LEU 62 3HD2 LEU 62 65.133 -32.914 44.595 1121 H GLU 63 H GLU 63 71.172 -34.165 43.434 1122 HA GLU 63 HA GLU 63 70.862 -36.830 42.365 1123 1HB GLU 63 2HB GLU 63 73.328 -36.766 42.155 1124 2HB GLU 63 1HB GLU 63 72.537 -35.406 41.375 1125 1HG GLU 63 2HG GLU 63 73.169 -33.931 43.117 1126 2HG GLU 63 1HG GLU 63 73.732 -35.261 44.127 1127 H HIS 64 H HIS 64 72.500 -38.531 43.230 1128 HA HIS 64 HA HIS 64 72.561 -38.438 46.168 1129 1HB HIS 64 2HB HIS 64 71.936 -40.864 46.220 1130 2HB HIS 64 1HB HIS 64 70.650 -39.802 45.663 1131 HD1 HIS 64 HD1 HIS 64 69.953 -39.985 43.168 1132 HD2 HIS 64 HD2 HIS 64 72.884 -42.701 44.333 1133 HE1 HIS 64 HE1 HIS 64 70.051 -41.707 41.339 1134 HE2 HIS 64 HE2 HIS 64 71.854 -43.317 42.038 1135 H HIS 65 H HIS 65 74.507 -38.755 46.951 1136 HA HIS 65 HA HIS 65 76.531 -40.095 45.303 1137 1HB HIS 65 2HB HIS 65 76.749 -38.414 47.812 1138 2HB HIS 65 1HB HIS 65 78.115 -39.269 47.103 1139 HD1 HIS 65 HD1 HIS 65 79.503 -37.824 45.675 1140 HD2 HIS 65 HD2 HIS 65 75.523 -36.623 45.677 1141 HE1 HIS 65 HE1 HIS 65 79.412 -35.783 44.212 1142 HE2 HIS 65 HE2 HIS 65 76.963 -35.174 44.088 1143 H HIS 66 H HIS 66 77.562 -41.964 45.962 1144 HA HIS 66 HA HIS 66 76.080 -43.657 47.713 1145 1HB HIS 66 2HB HIS 66 78.639 -43.969 46.186 1146 2HB HIS 66 1HB HIS 66 78.168 -45.175 47.375 1147 HD1 HIS 66 HD1 HIS 66 76.084 -46.626 46.840 1148 HD2 HIS 66 HD2 HIS 66 77.190 -44.012 43.799 1149 HE1 HIS 66 HE1 HIS 66 74.870 -47.415 44.788 1150 HE2 HIS 66 HE2 HIS 66 75.752 -45.981 42.922 1151 H HIS 67 H HIS 67 76.272 -43.994 49.815 1152 HA HIS 67 HA HIS 67 78.255 -42.677 51.392 1153 1HB HIS 67 2HB HIS 67 76.075 -43.090 52.360 1154 2HB HIS 67 1HB HIS 67 76.227 -44.819 52.079 1155 HD1 HIS 67 HD1 HIS 67 77.806 -42.091 54.212 1156 HD2 HIS 67 HD2 HIS 67 77.299 -46.218 54.131 1157 HE1 HIS 67 HE1 HIS 67 78.698 -42.930 56.407 1158 HE2 HIS 67 HE2 HIS 67 78.620 -45.442 56.211 1159 H HIS 68 H HIS 68 80.216 -43.386 50.518 1160 HA HIS 68 HA HIS 68 80.841 -46.201 50.581 1161 1HB HIS 68 2HB HIS 68 83.150 -45.420 49.839 1162 2HB HIS 68 1HB HIS 68 81.816 -45.121 48.737 1163 HD1 HIS 68 HD1 HIS 68 81.530 -42.773 47.934 1164 HD2 HIS 68 HD2 HIS 68 84.020 -43.019 51.260 1165 HE1 HIS 68 HE1 HIS 68 82.480 -40.463 48.248 1166 HE2 HIS 68 HE2 HIS 68 84.138 -40.697 50.133 1167 H HIS 69 H HIS 69 80.381 -46.358 52.859 1168 HA HIS 69 HA HIS 69 82.799 -46.574 54.335 1169 1HB HIS 69 2HB HIS 69 81.027 -44.269 54.896 1170 2HB HIS 69 1HB HIS 69 81.518 -45.200 56.306 1171 HD1 HIS 69 HD1 HIS 69 82.455 -42.224 54.950 1172 HD2 HIS 69 HD2 HIS 69 84.627 -45.700 55.691 1173 HE1 HIS 69 HE1 HIS 69 84.869 -41.511 55.064 1174 HE2 HIS 69 HE2 HIS 69 86.169 -43.631 55.473 Start of MODEL 17 1 1H MET 1 1H MET 1 0.466 6.695 -1.885 2 2H MET 1 2H MET 1 0.379 8.301 -2.427 3 3H MET 1 3H MET 1 -0.777 7.177 -2.927 4 HA MET 1 HA MET 1 -0.378 8.094 -0.142 5 1HB MET 1 2HB MET 1 -2.420 8.843 -2.237 6 2HB MET 1 1HB MET 1 -2.714 9.074 -0.519 7 1HG MET 1 2HG MET 1 -1.924 11.109 -1.628 8 2HG MET 1 1HG MET 1 -0.826 10.569 -0.358 9 1HE MET 1 1HE MET 1 1.143 12.095 -1.274 10 2HE MET 1 2HE MET 1 0.044 12.716 -2.503 11 3HE MET 1 3HE MET 1 1.646 12.135 -2.963 12 HA PRO 2 HA PRO 2 -2.124 4.066 0.157 13 1HB PRO 2 2HB PRO 2 -1.165 3.512 2.601 14 2HB PRO 2 1HB PRO 2 -0.132 3.623 1.173 15 1HG PRO 2 2HG PRO 2 -0.390 5.472 3.445 16 2HG PRO 2 1HG PRO 2 0.948 5.271 2.305 17 1HD PRO 2 2HD PRO 2 -1.133 7.259 2.288 18 2HD PRO 2 1HD PRO 2 0.235 7.085 1.171 19 H LYS 3 H LYS 3 -4.349 4.217 0.284 20 HA LYS 3 HA LYS 3 -5.285 3.866 3.062 21 1HB LYS 3 2HB LYS 3 -6.485 5.688 1.794 22 2HB LYS 3 1HB LYS 3 -7.005 4.473 0.636 23 1HG LYS 3 2HG LYS 3 -8.122 3.281 2.529 24 2HG LYS 3 1HG LYS 3 -7.733 4.663 3.552 25 1HD LYS 3 2HD LYS 3 -9.936 5.046 2.845 26 2HD LYS 3 1HD LYS 3 -8.954 6.080 1.808 27 1HE LYS 3 2HE LYS 3 -10.594 5.005 0.438 28 2HE LYS 3 1HE LYS 3 -9.024 4.292 0.073 29 1HZ LYS 3 1HZ LYS 3 -10.982 3.085 1.952 30 2HZ LYS 3 2HZ LYS 3 -9.561 2.375 1.347 31 3HZ LYS 3 3HZ LYS 3 -10.868 2.668 0.311 32 H ILE 4 H ILE 4 -6.841 1.970 3.236 33 HA ILE 4 HA ILE 4 -5.689 -0.191 1.822 34 HB ILE 4 HB ILE 4 -7.127 -1.630 3.015 35 1HG1 ILE 4 2HG1 ILE 4 -9.197 -0.209 2.718 36 2HG1 ILE 4 1HG1 ILE 4 -9.015 -1.036 4.242 37 1HG2 ILE 4 1HG2 ILE 4 -5.299 -0.764 4.305 38 2HG2 ILE 4 2HG2 ILE 4 -6.708 -0.950 5.345 39 3HG2 ILE 4 3HG2 ILE 4 -6.244 0.650 4.766 40 1HD1 ILE 4 1HD1 ILE 4 -9.880 1.156 4.647 41 2HD1 ILE 4 2HD1 ILE 4 -8.568 1.889 3.726 42 3HD1 ILE 4 3HD1 ILE 4 -8.229 1.084 5.258 43 H ILE 5 H ILE 5 -6.237 -1.027 -0.035 44 HA ILE 5 HA ILE 5 -8.790 -0.229 -1.256 45 HB ILE 5 HB ILE 5 -6.606 -1.657 -2.736 46 1HG1 ILE 5 2HG1 ILE 5 -6.728 1.341 -2.353 47 2HG1 ILE 5 1HG1 ILE 5 -5.542 0.279 -1.595 48 1HG2 ILE 5 1HG2 ILE 5 -8.671 0.376 -3.566 49 2HG2 ILE 5 2HG2 ILE 5 -8.782 -1.370 -3.799 50 3HG2 ILE 5 3HG2 ILE 5 -7.536 -0.445 -4.638 51 1HD1 ILE 5 1HD1 ILE 5 -5.899 0.752 -4.545 52 2HD1 ILE 5 2HD1 ILE 5 -4.739 -0.362 -3.819 53 3HD1 ILE 5 3HD1 ILE 5 -4.597 1.371 -3.525 54 H GLU 6 H GLU 6 -10.096 -1.838 -2.194 55 HA GLU 6 HA GLU 6 -9.466 -4.586 -1.399 56 1HB GLU 6 2HB GLU 6 -12.162 -3.443 -2.087 57 2HB GLU 6 1HB GLU 6 -11.830 -5.013 -1.404 58 1HG GLU 6 2HG GLU 6 -11.083 -3.983 0.660 59 2HG GLU 6 1HG GLU 6 -11.356 -2.380 -0.027 60 H ALA 7 H ALA 7 -8.583 -5.562 -3.077 61 HA ALA 7 HA ALA 7 -9.593 -4.992 -5.787 62 1HB ALA 7 1HB ALA 7 -6.920 -6.130 -4.938 63 2HB ALA 7 2HB ALA 7 -7.222 -4.463 -5.429 64 3HB ALA 7 3HB ALA 7 -7.426 -5.773 -6.590 65 H VAL 8 H VAL 8 -9.515 -6.869 -7.268 66 HA VAL 8 HA VAL 8 -9.961 -9.409 -5.898 67 HB VAL 8 HB VAL 8 -11.266 -10.000 -8.005 68 1HG1 VAL 8 1HG1 VAL 8 -12.332 -9.618 -5.853 69 2HG1 VAL 8 2HG1 VAL 8 -13.323 -8.979 -7.165 70 3HG1 VAL 8 3HG1 VAL 8 -12.364 -7.882 -6.168 71 1HG2 VAL 8 1HG2 VAL 8 -10.545 -8.188 -9.428 72 2HG2 VAL 8 2HG2 VAL 8 -11.235 -7.007 -8.311 73 3HG2 VAL 8 3HG2 VAL 8 -12.291 -8.110 -9.195 74 H TYR 9 H TYR 9 -8.345 -10.739 -6.159 75 HA TYR 9 HA TYR 9 -6.423 -10.616 -8.305 76 1HB TYR 9 2HB TYR 9 -5.868 -11.542 -6.068 77 2HB TYR 9 1HB TYR 9 -7.040 -12.832 -6.300 78 HD1 TYR 9 HD1 TYR 9 -6.265 -14.880 -7.057 79 HD2 TYR 9 HD2 TYR 9 -4.020 -11.381 -7.937 80 HE1 TYR 9 HE1 TYR 9 -4.497 -16.273 -8.052 81 HE2 TYR 9 HE2 TYR 9 -2.252 -12.753 -8.931 82 HH TYR 9 HH TYR 9 -2.646 -16.105 -9.590 83 H GLU 10 H GLU 10 -6.861 -10.962 -10.139 84 HA GLU 10 HA GLU 10 -8.610 -13.031 -11.118 85 1HB GLU 10 2HB GLU 10 -8.153 -10.569 -12.061 86 2HB GLU 10 1HB GLU 10 -6.850 -11.405 -12.887 87 1HG GLU 10 2HG GLU 10 -8.361 -12.780 -14.075 88 2HG GLU 10 1HG GLU 10 -9.712 -12.287 -13.058 89 H ASN 11 H ASN 11 -7.190 -13.853 -13.316 90 HA ASN 11 HA ASN 11 -5.885 -16.068 -12.162 91 1HB ASN 11 2HB ASN 11 -7.081 -15.427 -14.480 92 2HB ASN 11 1HB ASN 11 -5.404 -15.382 -14.973 93 1HD2 ASN 11 1HD2 ASN 11 -5.545 -17.152 -16.294 94 2HD2 ASN 11 2HD2 ASN 11 -5.713 -18.762 -15.678 95 H GLY 12 H GLY 12 -4.487 -13.971 -11.213 96 1HA GLY 12 2HA GLY 12 -2.009 -14.116 -10.953 97 2HA GLY 12 1HA GLY 12 -1.922 -14.028 -12.711 98 H VAL 13 H VAL 13 -4.481 -12.234 -11.655 99 HA VAL 13 HA VAL 13 -2.887 -9.732 -11.905 100 HB VAL 13 HB VAL 13 -5.803 -9.886 -12.488 101 1HG1 VAL 13 1HG1 VAL 13 -4.726 -7.709 -12.450 102 2HG1 VAL 13 2HG1 VAL 13 -5.231 -8.096 -14.096 103 3HG1 VAL 13 3HG1 VAL 13 -3.536 -8.248 -13.633 104 1HG2 VAL 13 1HG2 VAL 13 -4.911 -11.749 -13.770 105 2HG2 VAL 13 2HG2 VAL 13 -3.633 -10.724 -14.424 106 3HG2 VAL 13 3HG2 VAL 13 -5.314 -10.426 -14.864 107 H PHE 14 H PHE 14 -3.482 -7.943 -10.529 108 HA PHE 14 HA PHE 14 -5.824 -8.468 -8.821 109 1HB PHE 14 2HB PHE 14 -3.317 -6.915 -8.230 110 2HB PHE 14 1HB PHE 14 -4.777 -6.747 -7.279 111 HD1 PHE 14 HD1 PHE 14 -5.573 -8.591 -5.881 112 HD2 PHE 14 HD2 PHE 14 -1.906 -8.842 -8.032 113 HE1 PHE 14 HE1 PHE 14 -4.879 -10.483 -4.469 114 HE2 PHE 14 HE2 PHE 14 -1.209 -10.734 -6.625 115 HZ PHE 14 HZ PHE 14 -2.693 -11.555 -4.839 116 H LYS 15 H LYS 15 -7.505 -7.295 -9.420 117 HA LYS 15 HA LYS 15 -7.049 -4.552 -10.419 118 1HB LYS 15 2HB LYS 15 -9.077 -6.620 -11.100 119 2HB LYS 15 1HB LYS 15 -9.627 -4.957 -11.029 120 1HG LYS 15 2HG LYS 15 -9.085 -5.211 -13.249 121 2HG LYS 15 1HG LYS 15 -7.635 -4.462 -12.584 122 1HD LYS 15 2HD LYS 15 -7.025 -6.274 -14.068 123 2HD LYS 15 1HD LYS 15 -6.597 -6.685 -12.407 124 1HE LYS 15 2HE LYS 15 -7.598 -8.586 -13.553 125 2HE LYS 15 1HE LYS 15 -8.608 -8.045 -12.213 126 1HZ LYS 15 1HZ LYS 15 -9.836 -8.578 -14.291 127 2HZ LYS 15 2HZ LYS 15 -9.077 -7.258 -15.044 128 3HZ LYS 15 3HZ LYS 15 -10.108 -7.002 -13.720 129 HA PRO 16 HA PRO 16 -8.883 -3.592 -6.459 130 1HB PRO 16 2HB PRO 16 -8.930 -0.812 -7.329 131 2HB PRO 16 1HB PRO 16 -7.992 -1.559 -6.040 132 1HG PRO 16 2HG PRO 16 -6.928 -0.638 -8.396 133 2HG PRO 16 1HG PRO 16 -6.176 -1.881 -7.384 134 1HD PRO 16 2HD PRO 16 -7.670 -2.155 -9.927 135 2HD PRO 16 1HD PRO 16 -6.369 -3.146 -9.253 136 H LEU 17 H LEU 17 -10.820 -2.552 -5.733 137 HA LEU 17 HA LEU 17 -12.897 -2.329 -7.814 138 1HB LEU 17 2HB LEU 17 -13.219 -2.908 -4.858 139 2HB LEU 17 1HB LEU 17 -14.521 -2.820 -6.029 140 HG LEU 17 HG LEU 17 -12.321 -4.888 -6.001 141 1HD1 LEU 17 1HD1 LEU 17 -14.104 -6.442 -5.392 142 2HD1 LEU 17 2HD1 LEU 17 -15.253 -5.105 -5.331 143 3HD1 LEU 17 3HD1 LEU 17 -13.919 -5.174 -4.178 144 1HD2 LEU 17 1HD2 LEU 17 -14.732 -4.592 -7.790 145 2HD2 LEU 17 2HD2 LEU 17 -13.644 -5.979 -7.761 146 3HD2 LEU 17 3HD2 LEU 17 -13.046 -4.399 -8.268 147 H GLN 18 H GLN 18 -10.888 -0.692 -5.934 148 HA GLN 18 HA GLN 18 -12.639 1.684 -5.780 149 1HB GLN 18 2HB GLN 18 -10.391 0.791 -3.990 150 2HB GLN 18 1HB GLN 18 -10.918 2.461 -4.038 151 1HG GLN 18 2HG GLN 18 -13.030 1.926 -3.186 152 2HG GLN 18 1HG GLN 18 -12.795 0.200 -3.451 153 1HE2 GLN 18 1HE2 GLN 18 -11.731 -0.983 -1.964 154 2HE2 GLN 18 2HE2 GLN 18 -11.195 -0.375 -0.438 155 H LYS 19 H LYS 19 -11.850 3.574 -6.634 156 HA LYS 19 HA LYS 19 -9.588 3.403 -8.394 157 1HB LYS 19 2HB LYS 19 -11.203 5.811 -7.526 158 2HB LYS 19 1HB LYS 19 -9.982 5.807 -8.787 159 1HG LYS 19 2HG LYS 19 -11.337 4.157 -10.034 160 2HG LYS 19 1HG LYS 19 -12.587 4.332 -8.803 161 1HD LYS 19 2HD LYS 19 -12.466 6.836 -9.315 162 2HD LYS 19 1HD LYS 19 -11.578 6.367 -10.763 163 1HE LYS 19 2HE LYS 19 -13.491 4.879 -11.363 164 2HE LYS 19 1HE LYS 19 -14.382 5.567 -10.008 165 1HZ LYS 19 1HZ LYS 19 -13.753 7.798 -11.184 166 2HZ LYS 19 2HZ LYS 19 -15.088 6.895 -11.704 167 3HZ LYS 19 3HZ LYS 19 -13.625 6.804 -12.554 168 H VAL 20 H VAL 20 -7.608 4.378 -8.108 169 HA VAL 20 HA VAL 20 -7.054 5.212 -5.351 170 HB VAL 20 HB VAL 20 -6.565 2.752 -5.787 171 1HG1 VAL 20 1HG1 VAL 20 -4.250 3.906 -7.286 172 2HG1 VAL 20 2HG1 VAL 20 -5.510 2.846 -7.920 173 3HG1 VAL 20 3HG1 VAL 20 -4.359 2.234 -6.730 174 1HG2 VAL 20 1HG2 VAL 20 -4.367 4.461 -4.715 175 2HG2 VAL 20 2HG2 VAL 20 -4.638 2.752 -4.372 176 3HG2 VAL 20 3HG2 VAL 20 -5.813 3.953 -3.839 177 H ASP 21 H ASP 21 -4.996 6.121 -5.031 178 HA ASP 21 HA ASP 21 -4.202 7.807 -7.296 179 1HB ASP 21 2HB ASP 21 -5.091 8.988 -5.372 180 2HB ASP 21 1HB ASP 21 -3.942 8.198 -4.310 181 H LEU 22 H LEU 22 -3.391 5.057 -6.135 182 HA LEU 22 HA LEU 22 -0.598 5.186 -5.734 183 1HB LEU 22 2HB LEU 22 -2.556 3.065 -6.365 184 2HB LEU 22 1HB LEU 22 -0.903 2.735 -6.799 185 HG LEU 22 HG LEU 22 -0.194 2.928 -4.519 186 1HD1 LEU 22 1HD1 LEU 22 -1.719 3.385 -2.684 187 2HD1 LEU 22 2HD1 LEU 22 -3.029 3.653 -3.835 188 3HD1 LEU 22 3HD1 LEU 22 -1.646 4.747 -3.801 189 1HD2 LEU 22 1HD2 LEU 22 -1.428 1.083 -3.512 190 2HD2 LEU 22 2HD2 LEU 22 -1.098 0.780 -5.217 191 3HD2 LEU 22 3HD2 LEU 22 -2.708 1.290 -4.706 192 H LYS 23 H LYS 23 1.035 5.161 -7.118 193 HA LYS 23 HA LYS 23 0.355 5.877 -9.857 194 1HB LYS 23 2HB LYS 23 2.903 6.164 -8.270 195 2HB LYS 23 1HB LYS 23 2.747 6.607 -9.956 196 1HG LYS 23 2HG LYS 23 1.102 7.811 -7.741 197 2HG LYS 23 1HG LYS 23 2.585 8.519 -8.382 198 1HD LYS 23 2HD LYS 23 0.876 9.641 -9.524 199 2HD LYS 23 1HD LYS 23 1.432 8.418 -10.665 200 1HE LYS 23 2HE LYS 23 -0.454 6.969 -9.961 201 2HE LYS 23 1HE LYS 23 -1.036 8.274 -8.926 202 1HZ LYS 23 1HZ LYS 23 -2.174 8.182 -11.093 203 2HZ LYS 23 2HZ LYS 23 -0.700 8.465 -11.877 204 3HZ LYS 23 3HZ LYS 23 -1.359 9.648 -10.862 205 H GLU 24 H GLU 24 2.555 5.234 -11.262 206 HA GLU 24 HA GLU 24 2.187 2.523 -11.829 207 1HB GLU 24 2HB GLU 24 4.300 4.519 -12.636 208 2HB GLU 24 1HB GLU 24 4.286 2.874 -13.230 209 1HG GLU 24 2HG GLU 24 3.293 4.332 -14.860 210 2HG GLU 24 1HG GLU 24 2.061 3.255 -14.203 211 H GLY 25 H GLY 25 4.061 0.981 -11.933 212 1HA GLY 25 2HA GLY 25 3.749 -0.419 -9.883 213 2HA GLY 25 1HA GLY 25 5.385 -0.398 -10.504 214 H GLU 26 H GLU 26 3.242 1.383 -8.492 215 HA GLU 26 HA GLU 26 5.161 2.178 -6.547 216 1HB GLU 26 2HB GLU 26 2.813 3.148 -7.123 217 2HB GLU 26 1HB GLU 26 2.200 1.885 -6.064 218 1HG GLU 26 2HG GLU 26 3.488 2.755 -4.238 219 2HG GLU 26 1HG GLU 26 4.186 3.991 -5.275 220 H ARG 27 H ARG 27 5.455 1.286 -4.460 221 HA ARG 27 HA ARG 27 5.167 -1.602 -4.447 222 1HB ARG 27 2HB ARG 27 7.313 -0.493 -3.898 223 2HB ARG 27 1HB ARG 27 6.564 0.163 -2.459 224 1HG ARG 27 2HG ARG 27 7.810 -1.718 -1.774 225 2HG ARG 27 1HG ARG 27 6.113 -2.201 -1.747 226 1HD ARG 27 2HD ARG 27 6.346 -3.344 -3.847 227 2HD ARG 27 1HD ARG 27 7.995 -2.751 -4.038 228 HE ARG 27 HE ARG 27 7.465 -4.358 -1.669 229 1HH1 ARG 27 1HH1 ARG 27 8.733 -4.212 -4.944 230 2HH1 ARG 27 2HH1 ARG 27 9.602 -5.710 -4.792 231 1HH2 ARG 27 1HH2 ARG 27 8.637 -6.307 -1.489 232 2HH2 ARG 27 2HH2 ARG 27 9.549 -6.892 -2.852 233 H VAL 28 H VAL 28 3.623 -2.566 -3.475 234 HA VAL 28 HA VAL 28 2.340 -1.415 -1.121 235 HB VAL 28 HB VAL 28 0.215 -2.347 -2.785 236 1HG1 VAL 28 1HG1 VAL 28 0.928 0.414 -1.809 237 2HG1 VAL 28 2HG1 VAL 28 0.002 -0.794 -0.918 238 3HG1 VAL 28 3HG1 VAL 28 -0.652 -0.096 -2.402 239 1HG2 VAL 28 1HG2 VAL 28 1.893 -0.182 -4.056 240 2HG2 VAL 28 2HG2 VAL 28 0.299 -0.713 -4.591 241 3HG2 VAL 28 3HG2 VAL 28 1.670 -1.815 -4.687 242 H LYS 29 H LYS 29 1.090 -2.949 0.155 243 HA LYS 29 HA LYS 29 1.762 -5.750 -0.506 244 1HB LYS 29 2HB LYS 29 1.720 -4.296 2.105 245 2HB LYS 29 1HB LYS 29 1.494 -6.029 2.043 246 1HG LYS 29 2HG LYS 29 3.756 -5.493 0.483 247 2HG LYS 29 1HG LYS 29 3.911 -4.516 1.941 248 1HD LYS 29 2HD LYS 29 3.425 -6.567 3.282 249 2HD LYS 29 1HD LYS 29 3.486 -7.496 1.785 250 1HE LYS 29 2HE LYS 29 5.804 -6.522 1.452 251 2HE LYS 29 1HE LYS 29 5.704 -5.977 3.126 252 1HZ LYS 29 1HZ LYS 29 5.467 -8.797 2.204 253 2HZ LYS 29 2HZ LYS 29 5.395 -8.277 3.819 254 3HZ LYS 29 3HZ LYS 29 6.834 -8.110 2.940 255 H ILE 30 H ILE 30 0.268 -7.257 -0.202 256 HA ILE 30 HA ILE 30 -2.496 -6.301 0.165 257 HB ILE 30 HB ILE 30 -1.898 -9.011 -0.870 258 1HG1 ILE 30 2HG1 ILE 30 -1.620 -6.483 -2.490 259 2HG1 ILE 30 1HG1 ILE 30 -0.393 -7.712 -2.209 260 1HG2 ILE 30 1HG2 ILE 30 -4.168 -8.421 -0.447 261 2HG2 ILE 30 2HG2 ILE 30 -3.926 -8.563 -2.190 262 3HG2 ILE 30 3HG2 ILE 30 -4.017 -6.969 -1.436 263 1HD1 ILE 30 1HD1 ILE 30 -1.294 -7.855 -4.450 264 2HD1 ILE 30 2HD1 ILE 30 -2.916 -8.081 -3.791 265 3HD1 ILE 30 3HD1 ILE 30 -1.672 -9.301 -3.514 266 H LYS 31 H LYS 31 -3.602 -7.018 1.811 267 HA LYS 31 HA LYS 31 -2.675 -9.413 3.177 268 1HB LYS 31 2HB LYS 31 -3.699 -8.726 5.119 269 2HB LYS 31 1HB LYS 31 -3.126 -7.202 4.480 270 1HG LYS 31 2HG LYS 31 -5.265 -6.602 3.745 271 2HG LYS 31 1HG LYS 31 -5.896 -8.224 3.980 272 1HD LYS 31 2HD LYS 31 -4.956 -6.385 6.175 273 2HD LYS 31 1HD LYS 31 -6.638 -6.707 5.746 274 1HE LYS 31 2HE LYS 31 -4.652 -8.786 6.662 275 2HE LYS 31 1HE LYS 31 -5.876 -8.035 7.685 276 1HZ LYS 31 1HZ LYS 31 -6.658 -10.156 6.918 277 2HZ LYS 31 2HZ LYS 31 -6.369 -9.748 5.308 278 3HZ LYS 31 3HZ LYS 31 -7.586 -8.949 6.175 279 H LEU 32 H LEU 32 -4.124 -11.076 3.419 280 HA LEU 32 HA LEU 32 -6.231 -11.038 1.412 281 1HB LEU 32 2HB LEU 32 -4.472 -12.642 1.104 282 2HB LEU 32 1HB LEU 32 -4.661 -13.223 2.740 283 HG LEU 32 HG LEU 32 -6.717 -14.237 2.223 284 1HD1 LEU 32 1HD1 LEU 32 -7.731 -14.161 0.006 285 2HD1 LEU 32 2HD1 LEU 32 -6.472 -13.052 -0.537 286 3HD1 LEU 32 3HD1 LEU 32 -7.626 -12.541 0.698 287 1HD2 LEU 32 1HD2 LEU 32 -5.959 -15.815 0.467 288 2HD2 LEU 32 2HD2 LEU 32 -4.735 -15.489 1.693 289 3HD2 LEU 32 3HD2 LEU 32 -4.629 -14.706 0.114 290 H GLU 33 H GLU 33 -8.355 -11.359 2.042 291 HA GLU 33 HA GLU 33 -8.618 -10.439 4.718 292 1HB GLU 33 2HB GLU 33 -9.958 -9.631 2.775 293 2HB GLU 33 1HB GLU 33 -10.912 -11.099 2.910 294 1HG GLU 33 2HG GLU 33 -11.949 -9.207 4.038 295 2HG GLU 33 1HG GLU 33 -11.553 -10.507 5.158 296 H LEU 34 H LEU 34 -9.334 -11.265 6.419 297 HA LEU 34 HA LEU 34 -10.688 -13.770 6.638 298 1HB LEU 34 2HB LEU 34 -9.073 -14.986 7.758 299 2HB LEU 34 1HB LEU 34 -8.193 -14.300 6.419 300 HG LEU 34 HG LEU 34 -8.192 -13.043 9.143 301 1HD1 LEU 34 1HD1 LEU 34 -7.398 -15.315 9.416 302 2HD1 LEU 34 2HD1 LEU 34 -6.053 -14.183 9.547 303 3HD1 LEU 34 3HD1 LEU 34 -6.283 -15.109 8.063 304 1HD2 LEU 34 1HD2 LEU 34 -6.109 -12.036 8.374 305 2HD2 LEU 34 2HD2 LEU 34 -7.440 -11.646 7.284 306 3HD2 LEU 34 3HD2 LEU 34 -6.266 -12.880 6.831 307 H LYS 35 H LYS 35 -10.760 -14.273 9.180 308 HA LYS 35 HA LYS 35 -10.830 -11.720 10.636 309 1HB LYS 35 2HB LYS 35 -13.103 -12.504 10.121 310 2HB LYS 35 1HB LYS 35 -12.776 -14.019 10.940 311 1HG LYS 35 2HG LYS 35 -14.080 -12.571 12.351 312 2HG LYS 35 1HG LYS 35 -12.471 -12.771 13.043 313 1HD LYS 35 2HD LYS 35 -11.805 -10.608 12.120 314 2HD LYS 35 1HD LYS 35 -13.407 -10.413 11.408 315 1HE LYS 35 2HE LYS 35 -14.413 -10.435 13.626 316 2HE LYS 35 1HE LYS 35 -12.828 -10.678 14.356 317 1HZ LYS 35 1HZ LYS 35 -13.584 -8.298 12.737 318 2HZ LYS 35 2HZ LYS 35 -12.133 -8.525 13.590 319 3HZ LYS 35 3HZ LYS 35 -13.598 -8.354 14.433 320 H VAL 36 H VAL 36 -10.546 -11.953 12.961 321 HA VAL 36 HA VAL 36 -8.333 -13.644 13.561 322 HB VAL 36 HB VAL 36 -10.016 -12.128 15.555 323 1HG1 VAL 36 1HG1 VAL 36 -7.130 -12.982 15.651 324 2HG1 VAL 36 2HG1 VAL 36 -8.461 -13.752 16.513 325 3HG1 VAL 36 3HG1 VAL 36 -7.998 -12.096 16.907 326 1HG2 VAL 36 1HG2 VAL 36 -7.636 -11.142 13.987 327 2HG2 VAL 36 2HG2 VAL 36 -8.459 -10.259 15.272 328 3HG2 VAL 36 3HG2 VAL 36 -9.305 -10.620 13.768 329 H GLU 37 H GLU 37 -8.251 -15.510 14.713 330 HA GLU 37 HA GLU 37 -10.753 -16.946 14.926 331 1HB GLU 37 2HB GLU 37 -9.314 -18.910 15.072 332 2HB GLU 37 1HB GLU 37 -8.968 -17.959 13.645 333 1HG GLU 37 2HG GLU 37 -7.024 -16.999 14.780 334 2HG GLU 37 1HG GLU 37 -7.372 -17.986 16.198 335 HA PRO 38 HA PRO 38 -10.433 -16.969 19.418 336 1HB PRO 38 2HB PRO 38 -12.610 -18.463 19.909 337 2HB PRO 38 1HB PRO 38 -12.754 -16.795 19.342 338 1HG PRO 38 2HG PRO 38 -13.044 -19.345 17.814 339 2HG PRO 38 1HG PRO 38 -13.988 -17.850 17.697 340 1HD PRO 38 2HD PRO 38 -11.944 -18.558 15.973 341 2HD PRO 38 1HD PRO 38 -12.517 -16.901 16.242 342 H ILE 39 H ILE 39 -10.772 -19.002 21.044 343 HA ILE 39 HA ILE 39 -9.432 -21.298 19.815 344 HB ILE 39 HB ILE 39 -8.548 -21.588 22.267 345 1HG1 ILE 39 2HG1 ILE 39 -7.798 -19.281 23.096 346 2HG1 ILE 39 1HG1 ILE 39 -9.076 -18.635 22.064 347 1HG2 ILE 39 1HG2 ILE 39 -6.468 -20.499 21.599 348 2HG2 ILE 39 2HG2 ILE 39 -7.321 -19.692 20.284 349 3HG2 ILE 39 3HG2 ILE 39 -7.165 -21.449 20.287 350 1HD1 ILE 39 1HD1 ILE 39 -10.722 -19.925 23.323 351 2HD1 ILE 39 2HD1 ILE 39 -9.814 -18.840 24.371 352 3HD1 ILE 39 3HD1 ILE 39 -9.445 -20.566 24.356 353 H ASP 40 H ASP 40 -9.928 -23.358 20.647 354 HA ASP 40 HA ASP 40 -12.538 -23.483 21.970 355 1HB ASP 40 2HB ASP 40 -11.997 -24.809 19.846 356 2HB ASP 40 1HB ASP 40 -10.971 -25.816 20.863 357 H LEU 41 H LEU 41 -12.823 -24.484 23.943 358 HA LEU 41 HA LEU 41 -10.620 -24.235 25.711 359 1HB LEU 41 2HB LEU 41 -13.205 -23.991 26.103 360 2HB LEU 41 1HB LEU 41 -13.115 -25.702 26.461 361 HG LEU 41 HG LEU 41 -11.474 -23.615 27.897 362 1HD1 LEU 41 1HD1 LEU 41 -13.828 -23.199 28.303 363 2HD1 LEU 41 2HD1 LEU 41 -13.066 -23.879 29.741 364 3HD1 LEU 41 3HD1 LEU 41 -14.074 -24.897 28.714 365 1HD2 LEU 41 1HD2 LEU 41 -10.542 -25.868 27.988 366 2HD2 LEU 41 2HD2 LEU 41 -12.089 -26.492 28.560 367 3HD2 LEU 41 3HD2 LEU 41 -11.164 -25.374 29.562 368 H GLY 42 H GLY 42 -8.986 -25.610 25.705 369 1HA GLY 42 2HA GLY 42 -9.562 -28.433 26.222 370 2HA GLY 42 1HA GLY 42 -8.541 -28.065 24.846 371 H GLU 43 H GLU 43 -8.528 -28.854 28.018 372 HA GLU 43 HA GLU 43 -5.861 -27.740 28.468 373 1HB GLU 43 2HB GLU 43 -8.108 -27.958 30.464 374 2HB GLU 43 1HB GLU 43 -6.498 -27.370 30.796 375 1HG GLU 43 2HG GLU 43 -6.844 -25.462 29.374 376 2HG GLU 43 1HG GLU 43 -8.415 -26.089 28.876 377 HA PRO 44 HA PRO 44 -4.824 -31.871 29.910 378 1HB PRO 44 2HB PRO 44 -3.298 -30.680 32.125 379 2HB PRO 44 1HB PRO 44 -2.723 -31.653 30.769 380 1HG PRO 44 2HG PRO 44 -2.191 -29.025 30.946 381 2HG PRO 44 1HG PRO 44 -2.468 -29.823 29.385 382 1HD PRO 44 2HD PRO 44 -4.338 -28.136 31.012 383 2HD PRO 44 1HD PRO 44 -4.070 -28.149 29.255 384 H VAL 45 H VAL 45 -5.003 -33.270 31.860 385 HA VAL 45 HA VAL 45 -7.183 -32.294 33.579 386 HB VAL 45 HB VAL 45 -6.353 -35.170 33.394 387 1HG1 VAL 45 1HG1 VAL 45 -8.706 -35.576 33.955 388 2HG1 VAL 45 2HG1 VAL 45 -8.976 -33.833 34.008 389 3HG1 VAL 45 3HG1 VAL 45 -7.879 -34.590 35.162 390 1HG2 VAL 45 1HG2 VAL 45 -6.677 -34.461 31.087 391 2HG2 VAL 45 2HG2 VAL 45 -8.248 -33.780 31.502 392 3HG2 VAL 45 3HG2 VAL 45 -7.988 -35.522 31.597 393 H SER 46 H SER 46 -7.095 -32.599 35.803 394 HA SER 46 HA SER 46 -4.396 -32.899 36.896 395 1HB SER 46 2HB SER 46 -6.877 -31.658 38.106 396 2HB SER 46 1HB SER 46 -5.273 -31.677 38.825 397 HG SER 46 HG SER 46 -6.076 -30.374 36.445 398 H VAL 47 H VAL 47 -4.584 -33.722 39.334 399 HA VAL 47 HA VAL 47 -6.429 -36.010 39.407 400 HB VAL 47 HB VAL 47 -4.108 -36.677 38.697 401 1HG1 VAL 47 1HG1 VAL 47 -2.377 -36.817 40.434 402 2HG1 VAL 47 2HG1 VAL 47 -3.409 -35.879 41.512 403 3HG1 VAL 47 3HG1 VAL 47 -2.800 -35.155 40.021 404 1HG2 VAL 47 1HG2 VAL 47 -3.986 -38.631 40.176 405 2HG2 VAL 47 2HG2 VAL 47 -5.640 -38.305 39.662 406 3HG2 VAL 47 3HG2 VAL 47 -5.118 -37.855 41.285 407 H GLU 48 H GLU 48 -6.870 -36.796 41.593 408 HA GLU 48 HA GLU 48 -7.078 -34.676 43.494 409 1HB GLU 48 2HB GLU 48 -7.607 -37.625 43.837 410 2HB GLU 48 1HB GLU 48 -8.066 -36.370 44.972 411 1HG GLU 48 2HG GLU 48 -9.502 -35.369 43.230 412 2HG GLU 48 1HG GLU 48 -9.107 -36.722 42.170 413 H GLU 49 H GLU 49 -5.802 -34.187 45.125 414 HA GLU 49 HA GLU 49 -3.231 -35.500 45.287 415 1HB GLU 49 2HB GLU 49 -3.409 -33.036 45.201 416 2HB GLU 49 1HB GLU 49 -4.263 -33.059 46.739 417 1HG GLU 49 2HG GLU 49 -2.289 -34.010 47.816 418 2HG GLU 49 1HG GLU 49 -1.436 -33.977 46.274 419 H ILE 50 H ILE 50 -6.153 -35.374 47.066 420 HA ILE 50 HA ILE 50 -5.089 -36.004 49.625 421 HB ILE 50 HB ILE 50 -7.918 -36.401 48.644 422 1HG1 ILE 50 2HG1 ILE 50 -6.647 -34.005 49.994 423 2HG1 ILE 50 1HG1 ILE 50 -7.117 -34.088 48.298 424 1HG2 ILE 50 1HG2 ILE 50 -7.432 -37.570 50.742 425 2HG2 ILE 50 2HG2 ILE 50 -8.536 -36.219 51.006 426 3HG2 ILE 50 3HG2 ILE 50 -6.835 -36.066 51.447 427 1HD1 ILE 50 1HD1 ILE 50 -9.450 -34.329 48.961 428 2HD1 ILE 50 2HD1 ILE 50 -8.739 -32.853 49.615 429 3HD1 ILE 50 3HD1 ILE 50 -8.982 -34.254 50.660 430 H LYS 51 H LYS 51 -5.663 -37.851 46.865 431 HA LYS 51 HA LYS 51 -5.643 -40.349 48.371 432 1HB LYS 51 2HB LYS 51 -6.438 -39.663 45.544 433 2HB LYS 51 1HB LYS 51 -6.378 -41.284 46.181 434 1HG LYS 51 2HG LYS 51 -8.132 -40.858 47.718 435 2HG LYS 51 1HG LYS 51 -8.057 -39.126 47.400 436 1HD LYS 51 2HD LYS 51 -8.775 -39.579 45.067 437 2HD LYS 51 1HD LYS 51 -8.972 -41.280 45.500 438 1HE LYS 51 2HE LYS 51 -10.653 -40.726 47.130 439 2HE LYS 51 1HE LYS 51 -10.379 -39.002 46.884 440 1HZ LYS 51 1HZ LYS 51 -11.520 -40.914 44.922 441 2HZ LYS 51 2HZ LYS 51 -11.138 -39.297 44.570 442 3HZ LYS 51 3HZ LYS 51 -12.335 -39.659 45.719 443 H LYS 52 H LYS 52 -3.864 -41.647 48.220 444 HA LYS 52 HA LYS 52 -2.026 -41.651 46.068 445 1HB LYS 52 2HB LYS 52 -1.560 -39.425 47.108 446 2HB LYS 52 1HB LYS 52 -1.141 -40.254 48.599 447 1HG LYS 52 2HG LYS 52 0.702 -41.372 47.445 448 2HG LYS 52 1HG LYS 52 0.285 -40.506 45.960 449 1HD LYS 52 2HD LYS 52 0.594 -38.378 47.193 450 2HD LYS 52 1HD LYS 52 1.160 -39.309 48.580 451 1HE LYS 52 2HE LYS 52 2.990 -40.211 47.237 452 2HE LYS 52 1HE LYS 52 2.426 -39.300 45.838 453 1HZ LYS 52 1HZ LYS 52 2.838 -37.249 47.058 454 2HZ LYS 52 2HZ LYS 52 4.252 -38.180 46.939 455 3HZ LYS 52 3HZ LYS 52 3.384 -38.138 48.396 456 H ILE 53 H ILE 53 -0.449 -43.254 46.331 457 HA ILE 53 HA ILE 53 0.499 -45.158 47.039 458 HB ILE 53 HB ILE 53 0.111 -43.807 49.684 459 1HG1 ILE 53 2HG1 ILE 53 1.490 -42.606 48.053 460 2HG1 ILE 53 1HG1 ILE 53 2.445 -43.172 49.411 461 1HG2 ILE 53 1HG2 ILE 53 1.837 -45.319 50.562 462 2HG2 ILE 53 2HG2 ILE 53 1.838 -46.193 49.031 463 3HG2 ILE 53 3HG2 ILE 53 0.399 -46.206 50.050 464 1HD1 ILE 53 1HD1 ILE 53 2.317 -44.445 46.687 465 2HD1 ILE 53 2HD1 ILE 53 3.267 -45.034 48.051 466 3HD1 ILE 53 3HD1 ILE 53 3.638 -43.467 47.327 467 H ARG 54 H ARG 54 -0.723 -46.851 46.548 468 HA ARG 54 HA ARG 54 -3.057 -47.546 48.104 469 1HB ARG 54 2HB ARG 54 -2.940 -47.893 45.630 470 2HB ARG 54 1HB ARG 54 -1.691 -49.099 45.890 471 1HG ARG 54 2HG ARG 54 -4.170 -49.524 47.402 472 2HG ARG 54 1HG ARG 54 -4.313 -49.657 45.649 473 1HD ARG 54 2HD ARG 54 -2.914 -51.466 45.533 474 2HD ARG 54 1HD ARG 54 -2.053 -51.031 47.010 475 HE ARG 54 HE ARG 54 -4.114 -51.752 48.221 476 1HH1 ARG 54 1HH1 ARG 54 -3.502 -52.959 44.982 477 2HH1 ARG 54 2HH1 ARG 54 -4.287 -54.485 45.272 478 1HH2 ARG 54 1HH2 ARG 54 -5.131 -53.736 48.596 479 2HH2 ARG 54 2HH2 ARG 54 -5.199 -54.935 47.338 480 H ASP 55 H ASP 55 -3.253 -49.608 49.238 481 HA ASP 55 HA ASP 55 -1.084 -49.864 51.056 482 1HB ASP 55 2HB ASP 55 -2.494 -51.444 52.247 483 2HB ASP 55 1HB ASP 55 -3.430 -50.038 51.763 484 H GLY 56 H GLY 56 0.017 -51.719 51.675 485 1HA GLY 56 2HA GLY 56 -0.021 -54.077 49.970 486 2HA GLY 56 1HA GLY 56 1.487 -53.166 49.998 487 H THR 57 H THR 57 -0.847 -54.853 52.041 488 HA THR 57 HA THR 57 1.010 -54.777 54.301 489 HB THR 57 HB THR 57 -1.793 -55.892 54.247 490 HG1 THR 57 HG1 THR 57 -0.954 -53.324 54.005 491 1HG2 THR 57 1HG2 THR 57 -1.745 -55.408 56.653 492 2HG2 THR 57 2HG2 THR 57 -0.089 -54.816 56.503 493 3HG2 THR 57 3HG2 THR 57 -0.451 -56.515 56.199 494 H TRP 58 H TRP 58 1.929 -56.556 55.209 495 HA TRP 58 HA TRP 58 1.179 -59.196 54.147 496 1HB TRP 58 2HB TRP 58 3.435 -58.455 53.336 497 2HB TRP 58 1HB TRP 58 3.966 -58.390 55.014 498 HD1 TRP 58 HD1 TRP 58 4.484 -60.698 56.225 499 HE1 TRP 58 HE1 TRP 58 4.771 -63.109 55.357 500 HE3 TRP 58 HE3 TRP 58 2.554 -60.091 51.528 501 HZ2 TRP 58 HZ2 TRP 58 4.244 -64.551 52.987 502 HZ3 TRP 58 HZ3 TRP 58 2.482 -62.033 50.022 503 HH2 TRP 58 HH2 TRP 58 3.310 -64.218 50.736 504 H MET 59 H MET 59 0.833 -60.760 55.676 505 HA MET 59 HA MET 59 0.524 -59.705 58.376 506 1HB MET 59 2HB MET 59 -1.448 -60.680 57.295 507 2HB MET 59 1HB MET 59 -0.600 -62.210 57.115 508 1HG MET 59 2HG MET 59 -0.442 -62.382 59.563 509 2HG MET 59 1HG MET 59 -1.362 -60.885 59.704 510 1HE MET 59 1HE MET 59 -3.502 -61.189 57.362 511 2HE MET 59 2HE MET 59 -3.879 -60.620 58.987 512 3HE MET 59 3HE MET 59 -4.843 -61.903 58.260 513 H SER 60 H SER 60 1.886 -60.195 59.939 514 HA SER 60 HA SER 60 3.655 -62.475 59.774 515 1HB SER 60 2HB SER 60 4.380 -60.359 60.855 516 2HB SER 60 1HB SER 60 3.133 -60.573 62.083 517 HG SER 60 HG SER 60 5.429 -61.345 62.477 518 H SER 61 H SER 61 3.593 -64.265 61.298 519 HA SER 61 HA SER 61 0.817 -64.902 61.969 520 1HB SER 61 2HB SER 61 1.704 -67.296 61.910 521 2HB SER 61 1HB SER 61 1.656 -66.432 60.372 522 HG SER 61 HG SER 61 3.660 -67.481 60.655 523 H LEU 62 H LEU 62 3.580 -63.956 63.462 524 HA LEU 62 HA LEU 62 4.607 -64.275 65.473 525 1HB LEU 62 2HB LEU 62 1.702 -63.933 66.175 526 2HB LEU 62 1HB LEU 62 2.979 -63.939 67.367 527 HG LEU 62 HG LEU 62 4.004 -62.004 66.048 528 1HD1 LEU 62 1HD1 LEU 62 2.689 -62.240 64.010 529 2HD1 LEU 62 2HD1 LEU 62 2.423 -60.662 64.750 530 3HD1 LEU 62 3HD1 LEU 62 1.209 -61.930 64.920 531 1HD2 LEU 62 1HD2 LEU 62 2.946 -61.759 68.234 532 2HD2 LEU 62 2HD2 LEU 62 1.369 -61.615 67.458 533 3HD2 LEU 62 3HD2 LEU 62 2.598 -60.379 67.193 534 H GLU 63 H GLU 63 5.335 -66.441 65.147 535 HA GLU 63 HA GLU 63 3.678 -68.639 65.945 536 1HB GLU 63 2HB GLU 63 5.526 -70.039 65.378 537 2HB GLU 63 1HB GLU 63 5.439 -68.772 64.169 538 1HG GLU 63 2HG GLU 63 7.695 -68.881 64.556 539 2HG GLU 63 1HG GLU 63 7.219 -67.602 65.672 540 H HIS 64 H HIS 64 4.057 -70.066 67.679 541 HA HIS 64 HA HIS 64 6.054 -69.319 69.654 542 1HB HIS 64 2HB HIS 64 3.109 -69.386 70.196 543 2HB HIS 64 1HB HIS 64 4.224 -69.902 71.453 544 HD1 HIS 64 HD1 HIS 64 6.426 -67.720 70.813 545 HD2 HIS 64 HD2 HIS 64 2.368 -67.008 71.375 546 HE1 HIS 64 HE1 HIS 64 6.256 -65.328 71.564 547 HE2 HIS 64 HE2 HIS 64 3.824 -65.001 72.126 548 H HIS 65 H HIS 65 7.086 -71.170 68.779 549 HA HIS 65 HA HIS 65 5.827 -73.716 69.548 550 1HB HIS 65 2HB HIS 65 8.025 -73.140 67.551 551 2HB HIS 65 1HB HIS 65 7.509 -74.759 68.010 552 HD1 HIS 65 HD1 HIS 65 6.739 -72.011 65.722 553 HD2 HIS 65 HD2 HIS 65 4.742 -75.320 67.268 554 HE1 HIS 65 HE1 HIS 65 4.741 -72.366 64.223 555 HE2 HIS 65 HE2 HIS 65 3.470 -74.280 65.264 556 H HIS 66 H HIS 66 6.368 -74.052 71.580 557 HA HIS 66 HA HIS 66 9.192 -74.343 72.257 558 1HB HIS 66 2HB HIS 66 7.291 -72.438 73.577 559 2HB HIS 66 1HB HIS 66 8.491 -73.259 74.567 560 HD1 HIS 66 HD1 HIS 66 8.239 -70.813 71.697 561 HD2 HIS 66 HD2 HIS 66 11.049 -72.251 74.393 562 HE1 HIS 66 HE1 HIS 66 10.235 -69.314 71.448 563 HE2 HIS 66 HE2 HIS 66 11.819 -70.066 73.254 564 H HIS 67 H HIS 67 9.570 -75.947 73.779 565 HA HIS 67 HA HIS 67 7.286 -77.116 75.158 566 1HB HIS 67 2HB HIS 67 7.610 -79.343 74.354 567 2HB HIS 67 1HB HIS 67 7.492 -78.304 72.943 568 HD1 HIS 67 HD1 HIS 67 9.843 -77.751 71.738 569 HD2 HIS 67 HD2 HIS 67 9.843 -80.889 74.466 570 HE1 HIS 67 HE1 HIS 67 11.934 -79.062 71.263 571 HE2 HIS 67 HE2 HIS 67 11.777 -81.089 72.760 572 H HIS 68 H HIS 68 7.795 -77.958 77.110 573 HA HIS 68 HA HIS 68 10.657 -77.986 77.835 574 1HB HIS 68 2HB HIS 68 8.199 -77.600 79.562 575 2HB HIS 68 1HB HIS 68 9.825 -77.812 80.202 576 HD1 HIS 68 HD1 HIS 68 11.412 -75.820 80.101 577 HD2 HIS 68 HD2 HIS 68 7.717 -75.094 78.329 578 HE1 HIS 68 HE1 HIS 68 11.308 -73.331 79.739 579 HE2 HIS 68 HE2 HIS 68 9.007 -72.899 78.795 580 H HIS 69 H HIS 69 11.417 -79.988 77.691 581 HA HIS 69 HA HIS 69 10.504 -82.015 79.416 582 1HB HIS 69 2HB HIS 69 8.736 -82.180 77.629 583 2HB HIS 69 1HB HIS 69 10.009 -82.626 76.495 584 HD1 HIS 69 HD1 HIS 69 9.928 -83.900 80.031 585 HD2 HIS 69 HD2 HIS 69 9.142 -85.250 76.173 586 HE1 HIS 69 HE1 HIS 69 9.594 -86.383 80.237 587 HE2 HIS 69 HE2 HIS 69 9.021 -87.166 77.914 588 1H MET 1 1H MET 1 -2.476 -20.465 7.780 589 2H MET 1 2H MET 1 -1.444 -19.884 6.565 590 3H MET 1 3H MET 1 -3.044 -20.291 6.195 591 HA MET 1 HA MET 1 -3.885 -18.513 7.526 592 1HB MET 1 2HB MET 1 -2.037 -18.563 9.194 593 2HB MET 1 1HB MET 1 -0.970 -17.837 7.997 594 1HG MET 1 2HG MET 1 -2.361 -15.845 7.946 595 2HG MET 1 1HG MET 1 -3.468 -16.573 9.110 596 1HE MET 1 1HE MET 1 -3.290 -14.488 10.726 597 2HE MET 1 2HE MET 1 -2.229 -13.697 9.562 598 3HE MET 1 3HE MET 1 -1.761 -13.792 11.260 599 HA PRO 2 HA PRO 2 -3.912 -16.601 3.506 600 1HB PRO 2 2HB PRO 2 -4.712 -14.257 5.187 601 2HB PRO 2 1HB PRO 2 -5.429 -14.859 3.687 602 1HG PRO 2 2HG PRO 2 -6.587 -15.362 6.016 603 2HG PRO 2 1HG PRO 2 -6.516 -16.613 4.761 604 1HD PRO 2 2HD PRO 2 -4.951 -16.365 7.283 605 2HD PRO 2 1HD PRO 2 -5.494 -17.823 6.429 606 H LYS 3 H LYS 3 -1.940 -16.221 2.699 607 HA LYS 3 HA LYS 3 0.082 -14.761 4.088 608 1HB LYS 3 2HB LYS 3 -0.061 -15.841 1.270 609 2HB LYS 3 1HB LYS 3 1.333 -14.968 1.886 610 1HG LYS 3 2HG LYS 3 1.866 -17.244 2.071 611 2HG LYS 3 1HG LYS 3 1.460 -16.719 3.705 612 1HD LYS 3 2HD LYS 3 0.389 -18.801 3.391 613 2HD LYS 3 1HD LYS 3 -0.857 -17.557 3.281 614 1HE LYS 3 2HE LYS 3 -0.880 -17.707 0.881 615 2HE LYS 3 1HE LYS 3 0.500 -18.798 0.891 616 1HZ LYS 3 1HZ LYS 3 -2.179 -19.418 2.028 617 2HZ LYS 3 2HZ LYS 3 -0.852 -20.476 1.971 618 3HZ LYS 3 3HZ LYS 3 -1.600 -19.974 0.534 619 H ILE 4 H ILE 4 1.097 -12.837 3.403 620 HA ILE 4 HA ILE 4 -0.604 -10.993 1.979 621 HB ILE 4 HB ILE 4 0.878 -9.284 2.592 622 1HG1 ILE 4 2HG1 ILE 4 2.980 -10.495 2.035 623 2HG1 ILE 4 1HG1 ILE 4 3.045 -9.530 3.488 624 1HG2 ILE 4 1HG2 ILE 4 -0.494 -10.014 4.418 625 2HG2 ILE 4 2HG2 ILE 4 1.076 -9.465 5.008 626 3HG2 ILE 4 3HG2 ILE 4 0.730 -11.191 4.893 627 1HD1 ILE 4 1HD1 ILE 4 2.705 -11.607 4.820 628 2HD1 ILE 4 2HD1 ILE 4 4.207 -11.565 3.897 629 3HD1 ILE 4 3HD1 ILE 4 2.846 -12.516 3.313 630 H ILE 5 H ILE 5 -0.119 -10.141 -0.022 631 HA ILE 5 HA ILE 5 2.173 -11.375 -1.396 632 HB ILE 5 HB ILE 5 -0.138 -10.079 -2.796 633 1HG1 ILE 5 2HG1 ILE 5 -1.060 -11.872 -1.344 634 2HG1 ILE 5 1HG1 ILE 5 -1.215 -12.257 -3.055 635 1HG2 ILE 5 1HG2 ILE 5 1.861 -10.452 -4.101 636 2HG2 ILE 5 2HG2 ILE 5 0.559 -11.505 -4.655 637 3HG2 ILE 5 3HG2 ILE 5 1.856 -12.158 -3.654 638 1HD1 ILE 5 1HD1 ILE 5 0.735 -13.722 -2.890 639 2HD1 ILE 5 2HD1 ILE 5 -0.544 -14.203 -1.775 640 3HD1 ILE 5 3HD1 ILE 5 0.871 -13.339 -1.172 641 H GLU 6 H GLU 6 3.531 -10.025 -2.550 642 HA GLU 6 HA GLU 6 3.145 -7.162 -2.098 643 1HB GLU 6 2HB GLU 6 5.698 -8.690 -2.631 644 2HB GLU 6 1HB GLU 6 5.580 -6.949 -2.428 645 1HG GLU 6 2HG GLU 6 6.149 -7.480 -0.300 646 2HG GLU 6 1HG GLU 6 4.412 -7.692 -0.160 647 H ALA 7 H ALA 7 2.976 -5.842 -3.828 648 HA ALA 7 HA ALA 7 3.425 -6.968 -6.499 649 1HB ALA 7 1HB ALA 7 1.121 -7.535 -5.885 650 2HB ALA 7 2HB ALA 7 1.173 -6.366 -7.204 651 3HB ALA 7 3HB ALA 7 0.787 -5.834 -5.568 652 H VAL 8 H VAL 8 3.221 -5.347 -8.184 653 HA VAL 8 HA VAL 8 3.579 -2.587 -7.257 654 HB VAL 8 HB VAL 8 4.818 -2.300 -9.451 655 1HG1 VAL 8 1HG1 VAL 8 6.927 -3.176 -8.531 656 2HG1 VAL 8 2HG1 VAL 8 6.003 -4.085 -7.335 657 3HG1 VAL 8 3HG1 VAL 8 5.972 -2.321 -7.322 658 1HG2 VAL 8 1HG2 VAL 8 4.872 -5.306 -9.324 659 2HG2 VAL 8 2HG2 VAL 8 5.875 -4.313 -10.383 660 3HG2 VAL 8 3HG2 VAL 8 4.123 -4.319 -10.579 661 H TYR 9 H TYR 9 2.156 -1.159 -7.971 662 HA TYR 9 HA TYR 9 0.016 -1.985 -9.809 663 1HB TYR 9 2HB TYR 9 -0.256 -0.677 -7.618 664 2HB TYR 9 1HB TYR 9 0.458 0.697 -8.445 665 HD1 TYR 9 HD1 TYR 9 -2.414 -1.659 -8.570 666 HD2 TYR 9 HD2 TYR 9 -0.891 2.162 -9.663 667 HE1 TYR 9 HE1 TYR 9 -4.661 -0.980 -9.281 668 HE2 TYR 9 HE2 TYR 9 -3.135 2.848 -10.398 669 HH TYR 9 HH TYR 9 -5.944 1.006 -9.686 670 H GLU 10 H GLU 10 0.689 -2.038 -11.842 671 HA GLU 10 HA GLU 10 2.041 0.341 -12.898 672 1HB GLU 10 2HB GLU 10 2.150 -2.477 -13.952 673 2HB GLU 10 1HB GLU 10 2.984 -1.095 -14.614 674 1HG GLU 10 2HG GLU 10 4.105 -0.881 -12.340 675 2HG GLU 10 1HG GLU 10 3.511 -2.512 -12.038 676 H ASN 11 H ASN 11 0.810 1.552 -14.088 677 HA ASN 11 HA ASN 11 -0.576 2.272 -15.742 678 1HB ASN 11 2HB ASN 11 0.600 0.174 -16.863 679 2HB ASN 11 1HB ASN 11 -1.030 -0.474 -16.796 680 1HD2 ASN 11 1HD2 ASN 11 -2.666 0.504 -18.003 681 2HD2 ASN 11 2HD2 ASN 11 -2.324 1.588 -19.312 682 H GLY 12 H GLY 12 -1.620 1.458 -13.190 683 1HA GLY 12 2HA GLY 12 -3.784 1.539 -12.323 684 2HA GLY 12 1HA GLY 12 -4.414 1.296 -13.946 685 H VAL 13 H VAL 13 -2.005 -0.926 -13.095 686 HA VAL 13 HA VAL 13 -4.057 -2.961 -12.412 687 HB VAL 13 HB VAL 13 -1.374 -3.537 -13.608 688 1HG1 VAL 13 1HG1 VAL 13 -3.961 -5.095 -13.557 689 2HG1 VAL 13 2HG1 VAL 13 -2.523 -5.407 -12.587 690 3HG1 VAL 13 3HG1 VAL 13 -2.471 -5.626 -14.336 691 1HG2 VAL 13 1HG2 VAL 13 -2.445 -3.698 -15.839 692 2HG2 VAL 13 2HG2 VAL 13 -2.465 -2.054 -15.202 693 3HG2 VAL 13 3HG2 VAL 13 -3.929 -3.037 -15.156 694 H PHE 14 H PHE 14 -3.536 -4.363 -10.723 695 HA PHE 14 HA PHE 14 -1.066 -3.722 -9.273 696 1HB PHE 14 2HB PHE 14 -3.609 -4.079 -8.381 697 2HB PHE 14 1HB PHE 14 -2.962 -5.691 -8.151 698 HD1 PHE 14 HD1 PHE 14 -1.702 -6.181 -6.256 699 HD2 PHE 14 HD2 PHE 14 -2.349 -2.134 -7.370 700 HE1 PHE 14 HE1 PHE 14 -0.713 -5.439 -4.131 701 HE2 PHE 14 HE2 PHE 14 -1.351 -1.389 -5.256 702 HZ PHE 14 HZ PHE 14 -0.532 -3.034 -3.629 703 H LYS 15 H LYS 15 0.595 -4.933 -9.719 704 HA LYS 15 HA LYS 15 0.183 -7.659 -10.766 705 1HB LYS 15 2HB LYS 15 2.226 -5.542 -11.456 706 2HB LYS 15 1HB LYS 15 2.390 -7.215 -11.941 707 1HG LYS 15 2HG LYS 15 0.492 -7.101 -13.341 708 2HG LYS 15 1HG LYS 15 -0.007 -5.562 -12.638 709 1HD LYS 15 2HD LYS 15 1.012 -5.312 -14.880 710 2HD LYS 15 1HD LYS 15 1.883 -4.437 -13.621 711 1HE LYS 15 2HE LYS 15 3.447 -5.555 -15.106 712 2HE LYS 15 1HE LYS 15 3.518 -6.260 -13.493 713 1HZ LYS 15 1HZ LYS 15 2.112 -8.070 -14.278 714 2HZ LYS 15 2HZ LYS 15 3.548 -7.968 -15.172 715 3HZ LYS 15 3HZ LYS 15 2.095 -7.402 -15.837 716 HA PRO 16 HA PRO 16 2.513 -8.377 -6.965 717 1HB PRO 16 2HB PRO 16 2.336 -11.094 -7.016 718 2HB PRO 16 1HB PRO 16 1.045 -10.042 -6.425 719 1HG PRO 16 2HG PRO 16 1.329 -11.389 -9.083 720 2HG PRO 16 1HG PRO 16 -0.115 -11.186 -8.073 721 1HD PRO 16 2HD PRO 16 0.400 -9.625 -10.225 722 2HD PRO 16 1HD PRO 16 -0.478 -9.034 -8.802 723 H LEU 17 H LEU 17 4.418 -9.519 -6.366 724 HA LEU 17 HA LEU 17 6.168 -10.241 -8.615 725 1HB LEU 17 2HB LEU 17 6.829 -9.525 -5.746 726 2HB LEU 17 1HB LEU 17 8.012 -10.064 -6.921 727 HG LEU 17 HG LEU 17 7.195 -8.017 -8.307 728 1HD1 LEU 17 1HD1 LEU 17 6.452 -6.138 -6.962 729 2HD1 LEU 17 2HD1 LEU 17 6.376 -7.175 -5.537 730 3HD1 LEU 17 3HD1 LEU 17 5.290 -7.463 -6.896 731 1HD2 LEU 17 1HD2 LEU 17 8.853 -6.606 -7.185 732 2HD2 LEU 17 2HD2 LEU 17 9.425 -8.261 -7.395 733 3HD2 LEU 17 3HD2 LEU 17 8.857 -7.718 -5.816 734 H GLN 18 H GLN 18 4.215 -11.391 -6.211 735 HA GLN 18 HA GLN 18 5.516 -14.038 -6.163 736 1HB GLN 18 2HB GLN 18 3.079 -13.079 -4.651 737 2HB GLN 18 1HB GLN 18 3.856 -14.639 -4.469 738 1HG GLN 18 2HG GLN 18 5.871 -13.483 -3.613 739 2HG GLN 18 1HG GLN 18 4.976 -11.961 -3.688 740 1HE2 GLN 18 1HE2 GLN 18 5.004 -11.621 -1.451 741 2HE2 GLN 18 2HE2 GLN 18 4.054 -12.594 -0.374 742 H LYS 19 H LYS 19 4.517 -15.799 -7.182 743 HA LYS 19 HA LYS 19 2.015 -15.313 -8.559 744 1HB LYS 19 2HB LYS 19 3.892 -17.605 -8.416 745 2HB LYS 19 1HB LYS 19 2.221 -17.937 -8.828 746 1HG LYS 19 2HG LYS 19 3.618 -17.643 -10.817 747 2HG LYS 19 1HG LYS 19 2.344 -16.435 -10.717 748 1HD LYS 19 2HD LYS 19 3.937 -14.806 -9.854 749 2HD LYS 19 1HD LYS 19 5.217 -16.017 -9.918 750 1HE LYS 19 2HE LYS 19 4.985 -16.161 -12.340 751 2HE LYS 19 1HE LYS 19 3.663 -14.995 -12.296 752 1HZ LYS 19 1HZ LYS 19 5.809 -13.999 -12.926 753 2HZ LYS 19 2HZ LYS 19 6.447 -14.431 -11.413 754 3HZ LYS 19 3HZ LYS 19 5.176 -13.313 -11.511 755 H VAL 20 H VAL 20 0.089 -15.795 -7.822 756 HA VAL 20 HA VAL 20 0.132 -16.018 -4.921 757 HB VAL 20 HB VAL 20 -2.163 -15.073 -6.630 758 1HG1 VAL 20 1HG1 VAL 20 -2.906 -13.960 -4.591 759 2HG1 VAL 20 2HG1 VAL 20 -1.524 -14.613 -3.718 760 3HG1 VAL 20 3HG1 VAL 20 -2.767 -15.699 -4.337 761 1HG2 VAL 20 1HG2 VAL 20 0.062 -13.481 -5.368 762 2HG2 VAL 20 2HG2 VAL 20 -1.382 -12.796 -6.111 763 3HG2 VAL 20 3HG2 VAL 20 -0.226 -13.694 -7.096 764 H ASP 21 H ASP 21 -1.313 -17.128 -3.743 765 HA ASP 21 HA ASP 21 -1.884 -19.779 -4.803 766 1HB ASP 21 2HB ASP 21 -0.498 -19.429 -2.794 767 2HB ASP 21 1HB ASP 21 -1.846 -18.661 -1.988 768 H LEU 22 H LEU 22 -3.510 -17.265 -5.139 769 HA LEU 22 HA LEU 22 -5.955 -17.895 -3.683 770 1HB LEU 22 2HB LEU 22 -4.859 -15.444 -4.969 771 2HB LEU 22 1HB LEU 22 -6.583 -15.582 -4.702 772 HG LEU 22 HG LEU 22 -4.470 -15.760 -2.562 773 1HD1 LEU 22 1HD1 LEU 22 -5.357 -13.595 -1.835 774 2HD1 LEU 22 2HD1 LEU 22 -6.411 -13.557 -3.249 775 3HD1 LEU 22 3HD1 LEU 22 -4.661 -13.508 -3.453 776 1HD2 LEU 22 1HD2 LEU 22 -6.477 -17.113 -2.118 777 2HD2 LEU 22 2HD2 LEU 22 -7.476 -15.677 -2.346 778 3HD2 LEU 22 3HD2 LEU 22 -6.329 -15.749 -1.012 779 H LYS 23 H LYS 23 -7.861 -16.803 -5.046 780 HA LYS 23 HA LYS 23 -8.037 -18.329 -7.537 781 1HB LYS 23 2HB LYS 23 -9.467 -19.353 -5.926 782 2HB LYS 23 1HB LYS 23 -10.058 -17.797 -5.372 783 1HG LYS 23 2HG LYS 23 -11.155 -17.502 -7.594 784 2HG LYS 23 1HG LYS 23 -10.682 -19.159 -7.978 785 1HD LYS 23 2HD LYS 23 -12.047 -20.054 -6.284 786 2HD LYS 23 1HD LYS 23 -12.261 -18.481 -5.514 787 1HE LYS 23 2HE LYS 23 -13.298 -19.215 -8.251 788 2HE LYS 23 1HE LYS 23 -14.256 -19.253 -6.773 789 1HZ LYS 23 1HZ LYS 23 -14.657 -17.203 -7.927 790 2HZ LYS 23 2HZ LYS 23 -12.998 -16.856 -7.998 791 3HZ LYS 23 3HZ LYS 23 -13.796 -16.862 -6.503 792 H GLU 24 H GLU 24 -9.302 -17.412 -9.239 793 HA GLU 24 HA GLU 24 -9.084 -14.646 -9.590 794 1HB GLU 24 2HB GLU 24 -11.129 -16.326 -11.014 795 2HB GLU 24 1HB GLU 24 -10.217 -14.963 -11.613 796 1HG GLU 24 2HG GLU 24 -9.232 -16.720 -12.706 797 2HG GLU 24 1HG GLU 24 -8.159 -16.480 -11.327 798 H GLY 25 H GLY 25 -10.247 -13.055 -8.835 799 1HA GLY 25 2HA GLY 25 -12.191 -11.890 -8.219 800 2HA GLY 25 1HA GLY 25 -13.067 -13.410 -8.199 801 H GLU 26 H GLU 26 -10.015 -13.261 -6.575 802 HA GLU 26 HA GLU 26 -11.389 -13.749 -4.061 803 1HB GLU 26 2HB GLU 26 -8.634 -14.095 -5.052 804 2HB GLU 26 1HB GLU 26 -8.779 -13.708 -3.338 805 1HG GLU 26 2HG GLU 26 -9.991 -16.024 -4.811 806 2HG GLU 26 1HG GLU 26 -8.726 -16.071 -3.592 807 H ARG 27 H ARG 27 -11.298 -12.555 -2.180 808 HA ARG 27 HA ARG 27 -11.096 -9.717 -2.601 809 1HB ARG 27 2HB ARG 27 -13.016 -10.757 -1.467 810 2HB ARG 27 1HB ARG 27 -11.953 -11.239 -0.158 811 1HG ARG 27 2HG ARG 27 -13.011 -9.304 0.594 812 2HG ARG 27 1HG ARG 27 -11.406 -8.777 0.086 813 1HD ARG 27 2HD ARG 27 -12.861 -7.187 -0.806 814 2HD ARG 27 1HD ARG 27 -12.481 -8.237 -2.162 815 HE ARG 27 HE ARG 27 -14.668 -9.361 -1.639 816 1HH1 ARG 27 1HH1 ARG 27 -14.129 -6.014 -0.777 817 2HH1 ARG 27 2HH1 ARG 27 -15.813 -5.596 -0.831 818 1HH2 ARG 27 1HH2 ARG 27 -16.894 -8.816 -1.715 819 2HH2 ARG 27 2HH2 ARG 27 -17.380 -7.182 -1.371 820 H VAL 28 H VAL 28 -9.490 -8.577 -2.121 821 HA VAL 28 HA VAL 28 -7.666 -9.326 0.047 822 HB VAL 28 HB VAL 28 -5.711 -8.752 -1.323 823 1HG1 VAL 28 1HG1 VAL 28 -6.377 -11.095 -1.169 824 2HG1 VAL 28 2HG1 VAL 28 -5.701 -10.745 -2.760 825 3HG1 VAL 28 3HG1 VAL 28 -7.446 -10.893 -2.556 826 1HG2 VAL 28 1HG2 VAL 28 -5.925 -8.530 -3.758 827 2HG2 VAL 28 2HG2 VAL 28 -6.759 -7.229 -2.907 828 3HG2 VAL 28 3HG2 VAL 28 -7.681 -8.566 -3.599 829 H LYS 29 H LYS 29 -6.511 -7.588 0.978 830 HA LYS 29 HA LYS 29 -7.550 -4.896 0.343 831 1HB LYS 29 2HB LYS 29 -6.463 -5.823 2.989 832 2HB LYS 29 1HB LYS 29 -7.335 -4.350 2.633 833 1HG LYS 29 2HG LYS 29 -8.570 -7.065 2.384 834 2HG LYS 29 1HG LYS 29 -8.592 -6.116 3.855 835 1HD LYS 29 2HD LYS 29 -9.780 -4.323 2.696 836 2HD LYS 29 1HD LYS 29 -9.801 -5.313 1.229 837 1HE LYS 29 2HE LYS 29 -11.258 -6.869 2.134 838 2HE LYS 29 1HE LYS 29 -10.839 -6.445 3.791 839 1HZ LYS 29 1HZ LYS 29 -11.971 -4.239 3.277 840 2HZ LYS 29 2HZ LYS 29 -12.957 -5.599 3.490 841 3HZ LYS 29 3HZ LYS 29 -12.642 -5.024 1.928 842 H ILE 30 H ILE 30 -6.014 -3.242 0.324 843 HA ILE 30 HA ILE 30 -3.177 -4.089 0.455 844 HB ILE 30 HB ILE 30 -4.214 -2.279 -1.688 845 1HG1 ILE 30 2HG1 ILE 30 -3.339 -5.119 -2.109 846 2HG1 ILE 30 1HG1 ILE 30 -5.025 -4.738 -1.779 847 1HG2 ILE 30 1HG2 ILE 30 -2.011 -2.670 -2.685 848 2HG2 ILE 30 2HG2 ILE 30 -1.585 -3.696 -1.315 849 3HG2 ILE 30 3HG2 ILE 30 -1.878 -1.974 -1.070 850 1HD1 ILE 30 1HD1 ILE 30 -4.627 -4.992 -4.153 851 2HD1 ILE 30 2HD1 ILE 30 -3.391 -3.735 -4.099 852 3HD1 ILE 30 3HD1 ILE 30 -5.076 -3.329 -3.775 853 H LYS 31 H LYS 31 -1.910 -2.788 1.351 854 HA LYS 31 HA LYS 31 -2.127 0.042 1.131 855 1HB LYS 31 2HB LYS 31 -3.490 -0.453 3.175 856 2HB LYS 31 1HB LYS 31 -2.056 -1.162 3.906 857 1HG LYS 31 2HG LYS 31 -0.911 1.012 3.693 858 2HG LYS 31 1HG LYS 31 -2.404 1.702 3.049 859 1HD LYS 31 2HD LYS 31 -3.544 0.986 5.146 860 2HD LYS 31 1HD LYS 31 -1.967 0.521 5.783 861 1HE LYS 31 2HE LYS 31 -2.804 3.292 4.926 862 2HE LYS 31 1HE LYS 31 -2.575 2.731 6.582 863 1HZ LYS 31 1HZ LYS 31 -0.652 3.962 5.852 864 2HZ LYS 31 2HZ LYS 31 -0.466 2.953 4.506 865 3HZ LYS 31 3HZ LYS 31 -0.228 2.332 6.059 866 H LEU 32 H LEU 32 -0.057 0.788 0.888 867 HA LEU 32 HA LEU 32 1.904 -0.246 2.684 868 1HB LEU 32 2HB LEU 32 1.935 -1.470 0.342 869 2HB LEU 32 1HB LEU 32 2.855 -0.041 -0.109 870 HG LEU 32 HG LEU 32 4.397 -0.462 1.728 871 1HD1 LEU 32 1HD1 LEU 32 2.968 -1.582 3.272 872 2HD1 LEU 32 2HD1 LEU 32 4.295 -2.672 2.867 873 3HD1 LEU 32 3HD1 LEU 32 2.704 -2.904 2.134 874 1HD2 LEU 32 1HD2 LEU 32 4.974 -1.362 -0.450 875 2HD2 LEU 32 2HD2 LEU 32 4.024 -2.814 -0.119 876 3HD2 LEU 32 3HD2 LEU 32 5.485 -2.480 0.815 877 H GLU 33 H GLU 33 3.926 1.071 2.491 878 HA GLU 33 HA GLU 33 3.612 3.778 1.709 879 1HB GLU 33 2HB GLU 33 1.951 3.639 3.497 880 2HB GLU 33 1HB GLU 33 3.162 3.002 4.597 881 1HG GLU 33 2HG GLU 33 4.354 5.078 4.539 882 2HG GLU 33 1HG GLU 33 3.238 5.702 3.327 883 H LEU 34 H LEU 34 5.414 5.063 2.386 884 HA LEU 34 HA LEU 34 7.847 3.553 2.687 885 1HB LEU 34 2HB LEU 34 8.917 5.839 2.646 886 2HB LEU 34 1HB LEU 34 8.012 5.387 1.213 887 HG LEU 34 HG LEU 34 6.080 6.662 2.479 888 1HD1 LEU 34 1HD1 LEU 34 7.349 7.149 4.483 889 2HD1 LEU 34 2HD1 LEU 34 6.910 8.636 3.646 890 3HD1 LEU 34 3HD1 LEU 34 8.554 8.010 3.526 891 1HD2 LEU 34 1HD2 LEU 34 6.668 8.662 1.192 892 2HD2 LEU 34 2HD2 LEU 34 6.894 7.183 0.258 893 3HD2 LEU 34 3HD2 LEU 34 8.290 8.012 0.947 894 H LYS 35 H LYS 35 9.515 4.607 4.324 895 HA LYS 35 HA LYS 35 8.295 4.108 6.884 896 1HB LYS 35 2HB LYS 35 11.144 4.649 6.103 897 2HB LYS 35 1HB LYS 35 10.616 4.223 7.709 898 1HG LYS 35 2HG LYS 35 9.800 2.068 6.855 899 2HG LYS 35 1HG LYS 35 10.418 2.493 5.258 900 1HD LYS 35 2HD LYS 35 12.055 1.107 6.276 901 2HD LYS 35 1HD LYS 35 12.686 2.751 6.330 902 1HE LYS 35 2HE LYS 35 11.216 1.486 8.629 903 2HE LYS 35 1HE LYS 35 12.959 1.347 8.427 904 1HZ LYS 35 1HZ LYS 35 13.172 3.721 8.616 905 2HZ LYS 35 2HZ LYS 35 12.290 3.149 9.946 906 3HZ LYS 35 3HZ LYS 35 11.495 3.923 8.669 907 H VAL 36 H VAL 36 8.431 5.450 8.667 908 HA VAL 36 HA VAL 36 8.941 8.293 8.117 909 HB VAL 36 HB VAL 36 7.454 7.160 10.485 910 1HG1 VAL 36 1HG1 VAL 36 6.621 9.451 10.734 911 2HG1 VAL 36 2HG1 VAL 36 7.599 9.948 9.356 912 3HG1 VAL 36 3HG1 VAL 36 8.381 9.378 10.830 913 1HG2 VAL 36 1HG2 VAL 36 6.299 8.234 7.912 914 2HG2 VAL 36 2HG2 VAL 36 5.372 7.842 9.361 915 3HG2 VAL 36 3HG2 VAL 36 6.213 6.566 8.478 916 H GLU 37 H GLU 37 10.448 9.347 9.367 917 HA GLU 37 HA GLU 37 11.946 7.684 11.274 918 1HB GLU 37 2HB GLU 37 12.980 7.722 8.978 919 2HB GLU 37 1HB GLU 37 13.215 9.450 9.183 920 1HG GLU 37 2HG GLU 37 14.724 9.104 10.996 921 2HG GLU 37 1HG GLU 37 14.368 7.378 11.028 922 HA PRO 38 HA PRO 38 11.474 11.543 13.515 923 1HB PRO 38 2HB PRO 38 11.796 10.518 15.957 924 2HB PRO 38 1HB PRO 38 10.324 10.198 15.030 925 1HG PRO 38 2HG PRO 38 12.715 8.454 15.454 926 2HG PRO 38 1HG PRO 38 10.998 8.015 15.459 927 1HD PRO 38 2HD PRO 38 12.711 7.673 13.316 928 2HD PRO 38 1HD PRO 38 10.945 7.774 13.191 929 H ILE 39 H ILE 39 12.839 12.352 15.521 930 HA ILE 39 HA ILE 39 14.772 13.189 16.339 931 HB ILE 39 HB ILE 39 16.114 10.887 14.954 932 1HG1 ILE 39 2HG1 ILE 39 15.160 11.114 17.809 933 2HG1 ILE 39 1HG1 ILE 39 14.393 10.146 16.556 934 1HG2 ILE 39 1HG2 ILE 39 17.089 12.642 17.196 935 2HG2 ILE 39 2HG2 ILE 39 17.684 12.650 15.536 936 3HG2 ILE 39 3HG2 ILE 39 17.940 11.236 16.557 937 1HD1 ILE 39 1HD1 ILE 39 16.370 8.741 16.418 938 2HD1 ILE 39 2HD1 ILE 39 15.743 8.790 18.066 939 3HD1 ILE 39 3HD1 ILE 39 17.172 9.733 17.635 940 H ASP 40 H ASP 40 16.500 14.545 15.661 941 HA ASP 40 HA ASP 40 16.961 14.897 12.834 942 1HB ASP 40 2HB ASP 40 14.754 15.941 13.166 943 2HB ASP 40 1HB ASP 40 15.443 16.995 14.392 944 H LEU 41 H LEU 41 17.025 17.027 15.707 945 HA LEU 41 HA LEU 41 19.749 17.794 14.927 946 1HB LEU 41 2HB LEU 41 17.742 19.138 16.734 947 2HB LEU 41 1HB LEU 41 19.379 19.716 16.488 948 HG LEU 41 HG LEU 41 17.280 19.480 14.330 949 1HD1 LEU 41 1HD1 LEU 41 17.271 21.928 14.385 950 2HD1 LEU 41 2HD1 LEU 41 18.364 21.896 15.768 951 3HD1 LEU 41 3HD1 LEU 41 16.736 21.234 15.915 952 1HD2 LEU 41 1HD2 LEU 41 20.056 20.666 14.273 953 2HD2 LEU 41 2HD2 LEU 41 18.880 20.727 12.959 954 3HD2 LEU 41 3HD2 LEU 41 19.546 19.177 13.476 955 H GLY 42 H GLY 42 21.237 18.394 16.724 956 1HA GLY 42 2HA GLY 42 21.009 17.561 19.351 957 2HA GLY 42 1HA GLY 42 21.650 16.187 18.465 958 H GLU 43 H GLU 43 22.525 18.667 20.317 959 HA GLU 43 HA GLU 43 24.925 19.402 18.817 960 1HB GLU 43 2HB GLU 43 23.581 20.551 21.246 961 2HB GLU 43 1HB GLU 43 25.200 21.024 20.773 962 1HG GLU 43 2HG GLU 43 22.773 21.278 19.020 963 2HG GLU 43 1HG GLU 43 23.443 22.579 20.003 964 HA PRO 44 HA PRO 44 27.513 16.742 21.241 965 1HB PRO 44 2HB PRO 44 29.708 18.634 20.768 966 2HB PRO 44 1HB PRO 44 29.516 16.977 20.192 967 1HG PRO 44 2HG PRO 44 29.339 19.103 18.537 968 2HG PRO 44 1HG PRO 44 28.386 17.625 18.293 969 1HD PRO 44 2HD PRO 44 27.551 20.245 19.487 970 2HD PRO 44 1HD PRO 44 26.671 19.188 18.362 971 H VAL 45 H VAL 45 28.703 16.675 23.203 972 HA VAL 45 HA VAL 45 28.063 18.911 24.996 973 HB VAL 45 HB VAL 45 29.100 16.197 25.821 974 1HG1 VAL 45 1HG1 VAL 45 27.521 18.294 27.299 975 2HG1 VAL 45 2HG1 VAL 45 29.225 17.902 27.523 976 3HG1 VAL 45 3HG1 VAL 45 27.989 16.716 27.945 977 1HG2 VAL 45 1HG2 VAL 45 27.105 15.819 24.493 978 2HG2 VAL 45 2HG2 VAL 45 26.221 17.016 25.439 979 3HG2 VAL 45 3HG2 VAL 45 26.763 15.518 26.198 980 H SER 46 H SER 46 29.705 19.542 26.607 981 HA SER 46 HA SER 46 32.258 19.889 25.295 982 1HB SER 46 2HB SER 46 32.580 21.340 27.469 983 2HB SER 46 1HB SER 46 31.553 21.902 26.153 984 HG SER 46 HG SER 46 30.771 21.793 28.540 985 H VAL 47 H VAL 47 34.239 19.874 26.673 986 HA VAL 47 HA VAL 47 34.242 17.743 28.686 987 HB VAL 47 HB VAL 47 34.968 16.906 26.408 988 1HG1 VAL 47 1HG1 VAL 47 37.253 17.448 25.684 989 2HG1 VAL 47 2HG1 VAL 47 37.330 18.692 26.932 990 3HG1 VAL 47 3HG1 VAL 47 36.164 18.834 25.616 991 1HG2 VAL 47 1HG2 VAL 47 35.557 15.695 28.421 992 2HG2 VAL 47 2HG2 VAL 47 36.961 16.734 28.663 993 3HG2 VAL 47 3HG2 VAL 47 36.899 15.645 27.276 994 H GLU 48 H GLU 48 36.278 17.822 30.015 995 HA GLU 48 HA GLU 48 36.849 20.585 30.661 996 1HB GLU 48 2HB GLU 48 37.904 18.089 31.971 997 2HB GLU 48 1HB GLU 48 37.987 19.719 32.612 998 1HG GLU 48 2HG GLU 48 35.599 19.799 32.871 999 2HG GLU 48 1HG GLU 48 35.430 18.219 32.105 1000 H GLU 49 H GLU 49 38.507 21.654 29.944 1001 HA GLU 49 HA GLU 49 40.653 20.305 28.542 1002 1HB GLU 49 2HB GLU 49 41.404 22.848 28.326 1003 2HB GLU 49 1HB GLU 49 40.170 22.149 27.293 1004 1HG GLU 49 2HG GLU 49 39.483 24.322 28.070 1005 2HG GLU 49 1HG GLU 49 38.435 23.076 28.739 1006 H ILE 50 H ILE 50 40.063 21.760 31.571 1007 HA ILE 50 HA ILE 50 42.751 22.344 32.275 1008 HB ILE 50 HB ILE 50 40.771 23.441 33.292 1009 1HG1 ILE 50 2HG1 ILE 50 42.486 22.002 35.325 1010 2HG1 ILE 50 1HG1 ILE 50 42.987 23.430 34.429 1011 1HG2 ILE 50 1HG2 ILE 50 39.532 22.257 35.060 1012 2HG2 ILE 50 2HG2 ILE 50 40.391 20.773 34.642 1013 3HG2 ILE 50 3HG2 ILE 50 39.309 21.529 33.472 1014 1HD1 ILE 50 1HD1 ILE 50 40.709 23.270 36.394 1015 2HD1 ILE 50 2HD1 ILE 50 41.167 24.705 35.475 1016 3HD1 ILE 50 3HD1 ILE 50 42.279 24.023 36.662 1017 H LYS 51 H LYS 51 41.121 19.444 31.973 1018 HA LYS 51 HA LYS 51 42.418 18.039 34.138 1019 1HB LYS 51 2HB LYS 51 40.162 17.458 33.062 1020 2HB LYS 51 1HB LYS 51 41.099 16.781 31.742 1021 1HG LYS 51 2HG LYS 51 40.865 14.895 32.951 1022 2HG LYS 51 1HG LYS 51 42.280 15.531 33.793 1023 1HD LYS 51 2HD LYS 51 40.648 14.832 35.423 1024 2HD LYS 51 1HD LYS 51 40.743 16.597 35.438 1025 1HE LYS 51 2HE LYS 51 38.771 16.675 33.951 1026 2HE LYS 51 1HE LYS 51 38.656 14.920 34.054 1027 1HZ LYS 51 1HZ LYS 51 38.437 16.791 36.351 1028 2HZ LYS 51 2HZ LYS 51 38.252 15.106 36.419 1029 3HZ LYS 51 3HZ LYS 51 37.133 16.051 35.562 1030 H LYS 52 H LYS 52 44.332 16.971 34.028 1031 HA LYS 52 HA LYS 52 45.591 16.484 31.453 1032 1HB LYS 52 2HB LYS 52 46.596 18.300 33.609 1033 2HB LYS 52 1HB LYS 52 47.665 17.575 32.444 1034 1HG LYS 52 2HG LYS 52 46.765 18.781 30.669 1035 2HG LYS 52 1HG LYS 52 45.288 19.147 31.562 1036 1HD LYS 52 2HD LYS 52 46.660 20.549 33.108 1037 2HD LYS 52 1HD LYS 52 48.039 20.285 32.035 1038 1HE LYS 52 2HE LYS 52 47.003 21.437 30.259 1039 2HE LYS 52 1HE LYS 52 45.429 21.400 31.052 1040 1HZ LYS 52 1HZ LYS 52 46.416 23.584 31.206 1041 2HZ LYS 52 2HZ LYS 52 47.801 22.950 31.957 1042 3HZ LYS 52 3HZ LYS 52 46.302 22.890 32.751 1043 H ILE 53 H ILE 53 45.874 14.338 31.678 1044 HA ILE 53 HA ILE 53 47.198 13.334 34.063 1045 HB ILE 53 HB ILE 53 45.337 12.021 33.553 1046 1HG1 ILE 53 2HG1 ILE 53 46.316 9.919 32.546 1047 2HG1 ILE 53 1HG1 ILE 53 47.832 10.786 32.438 1048 1HG2 ILE 53 1HG2 ILE 53 44.824 12.906 31.362 1049 2HG2 ILE 53 2HG2 ILE 53 44.813 11.143 31.326 1050 3HG2 ILE 53 3HG2 ILE 53 46.188 12.029 30.664 1051 1HD1 ILE 53 1HD1 ILE 53 47.760 9.424 34.444 1052 2HD1 ILE 53 2HD1 ILE 53 46.286 10.241 34.966 1053 3HD1 ILE 53 3HD1 ILE 53 47.802 11.138 34.853 1054 H ARG 54 H ARG 54 49.325 13.693 33.906 1055 HA ARG 54 HA ARG 54 50.653 13.056 31.356 1056 1HB ARG 54 2HB ARG 54 50.470 15.531 31.984 1057 2HB ARG 54 1HB ARG 54 51.592 15.175 33.291 1058 1HG ARG 54 2HG ARG 54 53.262 14.454 31.665 1059 2HG ARG 54 1HG ARG 54 52.126 14.778 30.353 1060 1HD ARG 54 2HD ARG 54 52.017 17.159 31.288 1061 2HD ARG 54 1HD ARG 54 53.462 16.731 32.203 1062 HE ARG 54 HE ARG 54 53.712 16.140 29.411 1063 1HH1 ARG 54 1HH1 ARG 54 53.995 18.701 31.802 1064 2HH1 ARG 54 2HH1 ARG 54 55.038 19.673 30.802 1065 1HH2 ARG 54 1HH2 ARG 54 55.042 17.427 28.110 1066 2HH2 ARG 54 2HH2 ARG 54 55.567 18.987 28.676 1067 H ASP 55 H ASP 55 52.184 11.535 31.493 1068 HA ASP 55 HA ASP 55 52.873 10.427 34.053 1069 1HB ASP 55 2HB ASP 55 53.708 9.786 31.235 1070 2HB ASP 55 1HB ASP 55 54.459 9.001 32.618 1071 H GLY 56 H GLY 56 55.058 10.088 34.772 1072 1HA GLY 56 2HA GLY 56 57.321 11.375 33.837 1073 2HA GLY 56 1HA GLY 56 56.513 12.518 34.901 1074 H THR 57 H THR 57 59.089 11.038 35.167 1075 HA THR 57 HA THR 57 58.474 9.643 37.679 1076 HB THR 57 HB THR 57 59.443 8.185 35.877 1077 HG1 THR 57 HG1 THR 57 61.130 7.330 37.323 1078 1HG2 THR 57 1HG2 THR 57 60.952 9.829 34.863 1079 2HG2 THR 57 2HG2 THR 57 61.821 8.378 35.360 1080 3HG2 THR 57 3HG2 THR 57 61.924 9.842 36.336 1081 H TRP 58 H TRP 58 60.409 9.707 39.230 1082 HA TRP 58 HA TRP 58 61.175 12.494 39.474 1083 1HB TRP 58 2HB TRP 58 60.690 10.230 41.305 1084 2HB TRP 58 1HB TRP 58 61.915 11.377 41.790 1085 HD1 TRP 58 HD1 TRP 58 61.078 13.488 43.001 1086 HE1 TRP 58 HE1 TRP 58 58.787 14.593 43.399 1087 HE3 TRP 58 HE3 TRP 58 58.212 10.507 39.992 1088 HZ2 TRP 58 HZ2 TRP 58 56.115 14.235 42.550 1089 HZ3 TRP 58 HZ3 TRP 58 55.800 10.954 39.840 1090 HH2 TRP 58 HH2 TRP 58 54.774 12.781 41.093 1091 H MET 59 H MET 59 63.264 13.161 39.690 1092 HA MET 59 HA MET 59 65.346 11.126 39.264 1093 1HB MET 59 2HB MET 59 65.247 13.978 38.259 1094 2HB MET 59 1HB MET 59 66.662 12.944 38.143 1095 1HG MET 59 2HG MET 59 65.436 11.396 36.721 1096 2HG MET 59 1HG MET 59 63.991 12.396 36.869 1097 1HE MET 59 1HE MET 59 63.797 12.454 34.210 1098 2HE MET 59 2HE MET 59 65.253 11.466 34.084 1099 3HE MET 59 3HE MET 59 65.113 12.954 33.150 1100 H SER 60 H SER 60 66.822 10.976 40.825 1101 HA SER 60 HA SER 60 66.580 12.726 43.106 1102 1HB SER 60 2HB SER 60 66.886 10.305 43.419 1103 2HB SER 60 1HB SER 60 68.449 10.395 42.605 1104 HG SER 60 HG SER 60 68.456 10.454 44.992 1105 H SER 61 H SER 61 68.175 14.047 43.946 1106 HA SER 61 HA SER 61 70.193 14.961 42.054 1107 1HB SER 61 2HB SER 61 70.479 16.728 43.965 1108 2HB SER 61 1HB SER 61 69.059 16.804 42.923 1109 HG SER 61 HG SER 61 67.949 16.657 44.689 1110 H LEU 62 H LEU 62 69.939 12.663 44.278 1111 HA LEU 62 HA LEU 62 71.197 11.635 45.837 1112 1HB LEU 62 2HB LEU 62 73.382 10.904 44.918 1113 2HB LEU 62 1HB LEU 62 72.007 10.605 43.889 1114 HG LEU 62 HG LEU 62 73.043 13.081 43.059 1115 1HD1 LEU 62 1HD1 LEU 62 75.103 12.614 44.254 1116 2HD1 LEU 62 2HD1 LEU 62 75.365 12.522 42.512 1117 3HD1 LEU 62 3HD1 LEU 62 75.227 11.043 43.462 1118 1HD2 LEU 62 1HD2 LEU 62 73.573 11.829 41.014 1119 2HD2 LEU 62 2HD2 LEU 62 71.971 11.439 41.639 1120 3HD2 LEU 62 3HD2 LEU 62 73.311 10.319 41.884 1121 H GLU 63 H GLU 63 71.168 13.172 47.469 1122 HA GLU 63 HA GLU 63 73.122 15.143 47.851 1123 1HB GLU 63 2HB GLU 63 70.890 14.377 49.213 1124 2HB GLU 63 1HB GLU 63 72.153 13.774 50.277 1125 1HG GLU 63 2HG GLU 63 71.789 16.611 49.343 1126 2HG GLU 63 1HG GLU 63 71.482 15.982 50.959 1127 H HIS 64 H HIS 64 75.184 14.641 47.622 1128 HA HIS 64 HA HIS 64 76.215 12.068 48.443 1129 1HB HIS 64 2HB HIS 64 78.381 13.084 47.441 1130 2HB HIS 64 1HB HIS 64 77.059 12.672 46.354 1131 HD1 HIS 64 HD1 HIS 64 75.688 14.674 45.345 1132 HD2 HIS 64 HD2 HIS 64 79.051 15.778 47.538 1133 HE1 HIS 64 HE1 HIS 64 76.119 17.083 44.759 1134 HE2 HIS 64 HE2 HIS 64 78.237 17.684 45.980 1135 H HIS 65 H HIS 65 75.503 13.026 50.673 1136 HA HIS 65 HA HIS 65 77.345 14.709 52.039 1137 1HB HIS 65 2HB HIS 65 75.069 14.487 52.831 1138 2HB HIS 65 1HB HIS 65 75.257 12.751 53.023 1139 HD1 HIS 65 HD1 HIS 65 75.387 12.153 55.394 1140 HD2 HIS 65 HD2 HIS 65 77.230 15.806 54.629 1141 HE1 HIS 65 HE1 HIS 65 76.262 12.953 57.614 1142 HE2 HIS 65 HE2 HIS 65 77.559 15.043 57.081 1143 H HIS 66 H HIS 66 79.411 14.134 52.282 1144 HA HIS 66 HA HIS 66 79.993 11.550 53.485 1145 1HB HIS 66 2HB HIS 66 81.903 11.198 51.837 1146 2HB HIS 66 1HB HIS 66 80.280 10.884 51.245 1147 HD1 HIS 66 HD1 HIS 66 80.792 11.272 48.797 1148 HD2 HIS 66 HD2 HIS 66 81.830 14.507 51.200 1149 HE1 HIS 66 HE1 HIS 66 81.338 13.151 47.216 1150 HE2 HIS 66 HE2 HIS 66 82.122 15.038 48.688 1151 H HIS 67 H HIS 67 81.582 11.620 54.944 1152 HA HIS 67 HA HIS 67 83.280 14.035 55.007 1153 1HB HIS 67 2HB HIS 67 81.667 14.026 56.855 1154 2HB HIS 67 1HB HIS 67 82.200 12.419 57.331 1155 HD1 HIS 67 HD1 HIS 67 83.525 12.572 59.392 1156 HD2 HIS 67 HD2 HIS 67 84.244 15.789 56.850 1157 HE1 HIS 67 HE1 HIS 67 85.267 13.978 60.545 1158 HE2 HIS 67 HE2 HIS 67 85.571 15.996 59.066 1159 H HIS 68 H HIS 68 85.322 13.573 54.541 1160 HA HIS 68 HA HIS 68 86.368 10.899 54.783 1161 1HB HIS 68 2HB HIS 68 87.046 12.451 52.940 1162 2HB HIS 68 1HB HIS 68 87.836 13.473 54.135 1163 HD1 HIS 68 HD1 HIS 68 90.154 12.766 54.953 1164 HD2 HIS 68 HD2 HIS 68 88.340 9.970 52.452 1165 HE1 HIS 68 HE1 HIS 68 91.945 11.081 54.395 1166 HE2 HIS 68 HE2 HIS 68 90.857 9.468 52.789 1167 H HIS 69 H HIS 69 87.839 10.166 56.297 1168 HA HIS 69 HA HIS 69 88.094 11.824 58.701 1169 1HB HIS 69 2HB HIS 69 88.516 8.868 58.241 1170 2HB HIS 69 1HB HIS 69 88.871 9.672 59.763 1171 HD1 HIS 69 HD1 HIS 69 86.932 10.136 61.322 1172 HD2 HIS 69 HD2 HIS 69 85.737 8.720 57.599 1173 HE1 HIS 69 HE1 HIS 69 84.480 9.631 61.545 1174 HE2 HIS 69 HE2 HIS 69 83.801 8.674 59.319 Start of MODEL 18 1 1H MET 1 1H MET 1 -1.148 8.157 6.636 2 2H MET 1 2H MET 1 -2.209 8.535 7.903 3 3H MET 1 3H MET 1 -2.700 8.752 6.294 4 HA MET 1 HA MET 1 -1.999 6.133 7.478 5 1HB MET 1 2HB MET 1 -4.003 7.015 8.570 6 2HB MET 1 1HB MET 1 -4.717 7.382 7.005 7 1HG MET 1 2HG MET 1 -5.684 5.370 7.939 8 2HG MET 1 1HG MET 1 -4.778 4.999 6.473 9 1HE MET 1 1HE MET 1 -4.685 2.428 7.003 10 2HE MET 1 2HE MET 1 -5.690 2.734 8.419 11 3HE MET 1 3HE MET 1 -4.223 1.768 8.570 12 HA PRO 2 HA PRO 2 -2.060 5.161 3.071 13 1HB PRO 2 2HB PRO 2 -1.264 2.490 3.889 14 2HB PRO 2 1HB PRO 2 -0.334 3.686 2.983 15 1HG PRO 2 2HG PRO 2 0.282 2.922 5.526 16 2HG PRO 2 1HG PRO 2 0.664 4.524 4.868 17 1HD PRO 2 2HD PRO 2 -1.587 3.695 6.658 18 2HD PRO 2 1HD PRO 2 -0.581 5.159 6.717 19 H LYS 3 H LYS 3 -4.251 5.107 2.660 20 HA LYS 3 HA LYS 3 -5.862 3.028 3.870 21 1HB LYS 3 2HB LYS 3 -7.660 4.146 2.316 22 2HB LYS 3 1HB LYS 3 -7.153 4.910 3.815 23 1HG LYS 3 2HG LYS 3 -7.204 6.634 2.261 24 2HG LYS 3 1HG LYS 3 -5.497 6.217 2.379 25 1HD LYS 3 2HD LYS 3 -5.750 4.832 0.337 26 2HD LYS 3 1HD LYS 3 -7.418 5.387 0.203 27 1HE LYS 3 2HE LYS 3 -4.931 7.088 0.081 28 2HE LYS 3 1HE LYS 3 -6.008 6.694 -1.260 29 1HZ LYS 3 1HZ LYS 3 -6.467 8.899 -0.434 30 2HZ LYS 3 2HZ LYS 3 -6.708 8.310 1.137 31 3HZ LYS 3 3HZ LYS 3 -7.789 7.888 -0.100 32 H ILE 4 H ILE 4 -7.287 1.696 2.549 33 HA ILE 4 HA ILE 4 -5.563 0.347 0.663 34 HB ILE 4 HB ILE 4 -7.100 -1.557 0.949 35 1HG1 ILE 4 2HG1 ILE 4 -9.004 0.086 1.730 36 2HG1 ILE 4 1HG1 ILE 4 -8.944 -1.568 2.300 37 1HG2 ILE 4 1HG2 ILE 4 -5.088 -1.430 2.260 38 2HG2 ILE 4 2HG2 ILE 4 -6.388 -2.139 3.219 39 3HG2 ILE 4 3HG2 ILE 4 -5.909 -0.460 3.479 40 1HD1 ILE 4 1HD1 ILE 4 -7.870 -0.797 4.375 41 2HD1 ILE 4 2HD1 ILE 4 -9.466 -0.091 4.124 42 3HD1 ILE 4 3HD1 ILE 4 -8.022 0.866 3.812 43 H ILE 5 H ILE 5 -6.078 -0.107 -1.402 44 HA ILE 5 HA ILE 5 -8.670 0.779 -2.429 45 HB ILE 5 HB ILE 5 -6.702 -0.694 -4.147 46 1HG1 ILE 5 2HG1 ILE 5 -6.398 2.209 -3.335 47 2HG1 ILE 5 1HG1 ILE 5 -5.294 0.906 -2.915 48 1HG2 ILE 5 1HG2 ILE 5 -7.548 0.854 -5.841 49 2HG2 ILE 5 2HG2 ILE 5 -8.516 1.668 -4.613 50 3HG2 ILE 5 3HG2 ILE 5 -8.863 -0.007 -5.041 51 1HD1 ILE 5 1HD1 ILE 5 -4.362 2.168 -4.710 52 2HD1 ILE 5 2HD1 ILE 5 -5.839 2.003 -5.658 53 3HD1 ILE 5 3HD1 ILE 5 -4.841 0.586 -5.326 54 H GLU 6 H GLU 6 -10.134 -0.856 -3.429 55 HA GLU 6 HA GLU 6 -9.845 -3.298 -1.802 56 1HB GLU 6 2HB GLU 6 -12.329 -2.104 -3.034 57 2HB GLU 6 1HB GLU 6 -12.274 -3.551 -2.054 58 1HG GLU 6 2HG GLU 6 -12.904 -2.076 -0.461 59 2HG GLU 6 1HG GLU 6 -11.158 -1.908 -0.318 60 H ALA 7 H ALA 7 -9.187 -5.049 -2.921 61 HA ALA 7 HA ALA 7 -9.587 -4.876 -5.816 62 1HB ALA 7 1HB ALA 7 -7.283 -4.417 -5.199 63 2HB ALA 7 2HB ALA 7 -7.402 -5.923 -6.114 64 3HB ALA 7 3HB ALA 7 -7.191 -5.970 -4.366 65 H VAL 8 H VAL 8 -9.672 -6.733 -7.040 66 HA VAL 8 HA VAL 8 -10.186 -9.263 -5.621 67 HB VAL 8 HB VAL 8 -11.248 -9.175 -8.316 68 1HG1 VAL 8 1HG1 VAL 8 -11.744 -10.924 -6.728 69 2HG1 VAL 8 2HG1 VAL 8 -13.228 -10.100 -7.212 70 3HG1 VAL 8 3HG1 VAL 8 -12.498 -9.753 -5.645 71 1HG2 VAL 8 1HG2 VAL 8 -13.206 -7.741 -7.849 72 2HG2 VAL 8 2HG2 VAL 8 -11.695 -6.829 -7.864 73 3HG2 VAL 8 3HG2 VAL 8 -12.455 -7.248 -6.329 74 H TYR 9 H TYR 9 -8.720 -10.727 -6.085 75 HA TYR 9 HA TYR 9 -6.812 -10.369 -8.263 76 1HB TYR 9 2HB TYR 9 -6.039 -11.213 -6.101 77 2HB TYR 9 1HB TYR 9 -7.200 -12.531 -6.149 78 HD1 TYR 9 HD1 TYR 9 -6.783 -14.504 -7.472 79 HD2 TYR 9 HD2 TYR 9 -4.020 -11.261 -7.479 80 HE1 TYR 9 HE1 TYR 9 -5.090 -15.956 -8.496 81 HE2 TYR 9 HE2 TYR 9 -2.323 -12.706 -8.514 82 HH TYR 9 HH TYR 9 -1.808 -15.082 -8.719 83 H GLU 10 H GLU 10 -7.586 -10.691 -10.164 84 HA GLU 10 HA GLU 10 -8.932 -13.228 -10.787 85 1HB GLU 10 2HB GLU 10 -9.383 -10.477 -11.954 86 2HB GLU 10 1HB GLU 10 -10.011 -11.947 -12.653 87 1HG GLU 10 2HG GLU 10 -11.253 -12.341 -10.519 88 2HG GLU 10 1HG GLU 10 -10.726 -10.737 -10.005 89 H ASN 11 H ASN 11 -8.034 -14.346 -12.490 90 HA ASN 11 HA ASN 11 -6.780 -14.850 -14.327 91 1HB ASN 11 2HB ASN 11 -7.933 -12.644 -15.077 92 2HB ASN 11 1HB ASN 11 -6.355 -11.917 -14.831 93 1HD2 ASN 11 1HD2 ASN 11 -4.699 -12.365 -16.243 94 2HD2 ASN 11 2HD2 ASN 11 -4.931 -13.218 -17.731 95 H GLY 12 H GLY 12 -5.551 -14.143 -11.643 96 1HA GLY 12 2HA GLY 12 -3.359 -14.394 -10.881 97 2HA GLY 12 1HA GLY 12 -2.799 -14.242 -12.542 98 H VAL 13 H VAL 13 -5.014 -11.875 -11.556 99 HA VAL 13 HA VAL 13 -2.840 -9.882 -11.209 100 HB VAL 13 HB VAL 13 -5.593 -9.320 -12.261 101 1HG1 VAL 13 1HG1 VAL 13 -4.296 -7.405 -11.487 102 2HG1 VAL 13 2HG1 VAL 13 -4.550 -7.321 -13.229 103 3HG1 VAL 13 3HG1 VAL 13 -2.981 -7.821 -12.587 104 1HG2 VAL 13 1HG2 VAL 13 -4.658 -10.963 -13.781 105 2HG2 VAL 13 2HG2 VAL 13 -3.173 -10.025 -13.935 106 3HG2 VAL 13 3HG2 VAL 13 -4.692 -9.383 -14.560 107 H PHE 14 H PHE 14 -3.277 -8.220 -9.622 108 HA PHE 14 HA PHE 14 -5.760 -8.616 -8.109 109 1HB PHE 14 2HB PHE 14 -3.380 -6.831 -7.558 110 2HB PHE 14 1HB PHE 14 -4.799 -6.955 -6.534 111 HD1 PHE 14 HD1 PHE 14 -5.288 -9.118 -5.380 112 HD2 PHE 14 HD2 PHE 14 -1.615 -8.397 -7.409 113 HE1 PHE 14 HE1 PHE 14 -4.252 -10.982 -4.158 114 HE2 PHE 14 HE2 PHE 14 -0.571 -10.267 -6.187 115 HZ PHE 14 HZ PHE 14 -1.897 -11.562 -4.558 116 H LYS 15 H LYS 15 -7.458 -7.539 -8.813 117 HA LYS 15 HA LYS 15 -7.067 -4.988 -10.251 118 1HB LYS 15 2HB LYS 15 -9.195 -7.121 -10.509 119 2HB LYS 15 1HB LYS 15 -9.273 -5.562 -11.296 120 1HG LYS 15 2HG LYS 15 -7.456 -6.070 -12.710 121 2HG LYS 15 1HG LYS 15 -7.028 -7.492 -11.752 122 1HD LYS 15 2HD LYS 15 -8.228 -8.018 -13.881 123 2HD LYS 15 1HD LYS 15 -9.016 -8.638 -12.428 124 1HE LYS 15 2HE LYS 15 -10.391 -6.463 -12.495 125 2HE LYS 15 1HE LYS 15 -9.801 -6.304 -14.148 126 1HZ LYS 15 1HZ LYS 15 -10.796 -8.429 -14.689 127 2HZ LYS 15 2HZ LYS 15 -11.966 -7.382 -14.053 128 3HZ LYS 15 3HZ LYS 15 -11.336 -8.625 -13.087 129 HA PRO 16 HA PRO 16 -9.486 -3.740 -6.633 130 1HB PRO 16 2HB PRO 16 -9.131 -1.048 -7.034 131 2HB PRO 16 1HB PRO 16 -8.089 -2.073 -6.058 132 1HG PRO 16 2HG PRO 16 -7.637 -0.923 -8.708 133 2HG PRO 16 1HG PRO 16 -6.465 -1.527 -7.531 134 1HD PRO 16 2HD PRO 16 -7.292 -2.807 -9.890 135 2HD PRO 16 1HD PRO 16 -6.351 -3.518 -8.569 136 H LEU 17 H LEU 17 -11.350 -2.439 -6.248 137 HA LEU 17 HA LEU 17 -13.137 -2.086 -8.495 138 1HB LEU 17 2HB LEU 17 -13.437 -1.269 -5.592 139 2HB LEU 17 1HB LEU 17 -14.717 -1.250 -6.793 140 HG LEU 17 HG LEU 17 -13.304 -3.714 -5.762 141 1HD1 LEU 17 1HD1 LEU 17 -16.101 -2.698 -5.288 142 2HD1 LEU 17 2HD1 LEU 17 -14.789 -2.709 -4.110 143 3HD1 LEU 17 3HD1 LEU 17 -15.445 -4.230 -4.714 144 1HD2 LEU 17 1HD2 LEU 17 -13.988 -3.946 -8.096 145 2HD2 LEU 17 2HD2 LEU 17 -15.624 -3.445 -7.671 146 3HD2 LEU 17 3HD2 LEU 17 -14.974 -4.957 -7.038 147 H GLN 18 H GLN 18 -10.782 -0.478 -6.756 148 HA GLN 18 HA GLN 18 -9.473 1.146 -7.502 149 1HB GLN 18 2HB GLN 18 -11.341 0.928 -9.767 150 2HB GLN 18 1HB GLN 18 -10.189 2.254 -9.714 151 1HG GLN 18 2HG GLN 18 -9.140 -0.404 -9.070 152 2HG GLN 18 1HG GLN 18 -9.609 -0.126 -10.757 153 1HE2 GLN 18 1HE2 GLN 18 -7.492 0.862 -8.166 154 2HE2 GLN 18 2HE2 GLN 18 -6.362 1.717 -9.148 155 H LYS 19 H LYS 19 -11.364 3.336 -9.093 156 HA LYS 19 HA LYS 19 -10.749 5.462 -8.940 157 1HB LYS 19 2HB LYS 19 -11.566 4.951 -6.084 158 2HB LYS 19 1HB LYS 19 -11.053 6.510 -6.681 159 1HG LYS 19 2HG LYS 19 -12.873 6.305 -8.422 160 2HG LYS 19 1HG LYS 19 -13.481 4.958 -7.456 161 1HD LYS 19 2HD LYS 19 -13.830 6.382 -5.567 162 2HD LYS 19 1HD LYS 19 -12.994 7.723 -6.353 163 1HE LYS 19 2HE LYS 19 -14.778 7.689 -8.109 164 2HE LYS 19 1HE LYS 19 -15.638 6.504 -7.129 165 1HZ LYS 19 1HZ LYS 19 -16.443 8.751 -6.742 166 2HZ LYS 19 2HZ LYS 19 -14.896 9.243 -6.254 167 3HZ LYS 19 3HZ LYS 19 -15.753 8.102 -5.333 168 H VAL 20 H VAL 20 -9.281 6.702 -6.706 169 HA VAL 20 HA VAL 20 -7.112 7.044 -6.113 170 HB VAL 20 HB VAL 20 -6.712 4.115 -6.614 171 1HG1 VAL 20 1HG1 VAL 20 -4.921 4.293 -4.961 172 2HG1 VAL 20 2HG1 VAL 20 -5.245 6.021 -4.812 173 3HG1 VAL 20 3HG1 VAL 20 -4.653 5.362 -6.337 174 1HG2 VAL 20 1HG2 VAL 20 -7.201 3.715 -4.251 175 2HG2 VAL 20 2HG2 VAL 20 -8.595 4.365 -5.113 176 3HG2 VAL 20 3HG2 VAL 20 -7.639 5.416 -4.065 177 H ASP 21 H ASP 21 -5.074 7.396 -7.094 178 HA ASP 21 HA ASP 21 -4.989 6.826 -9.957 179 1HB ASP 21 2HB ASP 21 -4.642 9.097 -10.421 180 2HB ASP 21 1HB ASP 21 -6.083 8.984 -9.461 181 H LEU 22 H LEU 22 -3.540 5.911 -7.626 182 HA LEU 22 HA LEU 22 -0.968 6.916 -7.353 183 1HB LEU 22 2HB LEU 22 -2.013 4.111 -7.087 184 2HB LEU 22 1HB LEU 22 -0.405 4.591 -6.614 185 HG LEU 22 HG LEU 22 -2.915 5.787 -5.461 186 1HD1 LEU 22 1HD1 LEU 22 -1.125 3.631 -4.355 187 2HD1 LEU 22 2HD1 LEU 22 -2.793 3.435 -4.888 188 3HD1 LEU 22 3HD1 LEU 22 -2.430 4.428 -3.478 189 1HD2 LEU 22 1HD2 LEU 22 -0.938 7.227 -5.357 190 2HD2 LEU 22 2HD2 LEU 22 -0.039 5.931 -4.565 191 3HD2 LEU 22 3HD2 LEU 22 -1.422 6.668 -3.756 192 H LYS 23 H LYS 23 1.019 5.264 -7.968 193 HA LYS 23 HA LYS 23 0.976 5.619 -10.864 194 1HB LYS 23 2HB LYS 23 3.160 5.947 -8.853 195 2HB LYS 23 1HB LYS 23 3.473 5.885 -10.582 196 1HG LYS 23 2HG LYS 23 1.806 7.749 -10.841 197 2HG LYS 23 1HG LYS 23 1.822 7.893 -9.083 198 1HD LYS 23 2HD LYS 23 4.090 8.533 -9.054 199 2HD LYS 23 1HD LYS 23 4.332 8.031 -10.732 200 1HE LYS 23 2HE LYS 23 2.665 10.348 -9.749 201 2HE LYS 23 1HE LYS 23 4.196 10.442 -10.617 202 1HZ LYS 23 1HZ LYS 23 3.062 9.256 -12.484 203 2HZ LYS 23 2HZ LYS 23 2.473 10.818 -12.183 204 3HZ LYS 23 3HZ LYS 23 1.593 9.467 -11.659 205 H GLU 24 H GLU 24 2.519 4.379 -12.149 206 HA GLU 24 HA GLU 24 2.051 1.587 -11.643 207 1HB GLU 24 2HB GLU 24 2.967 1.322 -13.921 208 2HB GLU 24 1HB GLU 24 1.622 2.437 -13.860 209 1HG GLU 24 2HG GLU 24 4.422 3.453 -13.741 210 2HG GLU 24 1HG GLU 24 3.719 2.982 -15.283 211 H GLY 25 H GLY 25 3.648 -0.029 -11.642 212 1HA GLY 25 2HA GLY 25 5.673 -0.958 -11.059 213 2HA GLY 25 1HA GLY 25 6.439 0.548 -11.550 214 H GLU 26 H GLU 26 3.921 0.780 -9.238 215 HA GLU 26 HA GLU 26 5.885 1.692 -7.310 216 1HB GLU 26 2HB GLU 26 3.799 2.992 -8.137 217 2HB GLU 26 1HB GLU 26 2.894 1.924 -7.071 218 1HG GLU 26 2HG GLU 26 3.960 2.732 -5.181 219 2HG GLU 26 1HG GLU 26 5.217 3.516 -6.118 220 H ARG 27 H ARG 27 5.586 1.046 -4.989 221 HA ARG 27 HA ARG 27 5.206 -1.853 -4.999 222 1HB ARG 27 2HB ARG 27 6.826 -0.025 -3.287 223 2HB ARG 27 1HB ARG 27 6.436 -1.635 -2.731 224 1HG ARG 27 2HG ARG 27 8.624 -1.650 -3.705 225 2HG ARG 27 1HG ARG 27 7.532 -2.572 -4.732 226 1HD ARG 27 2HD ARG 27 7.473 -0.887 -6.370 227 2HD ARG 27 1HD ARG 27 8.155 0.312 -5.273 228 HE ARG 27 HE ARG 27 10.021 -1.747 -5.542 229 1HH1 ARG 27 1HH1 ARG 27 8.536 0.652 -7.645 230 2HH1 ARG 27 2HH1 ARG 27 9.967 0.852 -8.607 231 1HH2 ARG 27 1HH2 ARG 27 11.875 -1.474 -6.839 232 2HH2 ARG 27 2HH2 ARG 27 11.835 -0.350 -8.171 233 H VAL 28 H VAL 28 3.913 -2.929 -3.700 234 HA VAL 28 HA VAL 28 2.461 -1.617 -1.542 235 HB VAL 28 HB VAL 28 0.280 -2.613 -2.409 236 1HG1 VAL 28 1HG1 VAL 28 1.511 -0.310 -3.913 237 2HG1 VAL 28 2HG1 VAL 28 0.651 -0.228 -2.376 238 3HG1 VAL 28 3HG1 VAL 28 -0.212 -0.684 -3.843 239 1HG2 VAL 28 1HG2 VAL 28 0.090 -2.890 -4.838 240 2HG2 VAL 28 2HG2 VAL 28 1.213 -4.049 -4.127 241 3HG2 VAL 28 3HG2 VAL 28 1.831 -2.643 -4.994 242 H LYS 29 H LYS 29 0.980 -3.215 -0.423 243 HA LYS 29 HA LYS 29 1.945 -5.983 -0.649 244 1HB LYS 29 2HB LYS 29 1.417 -4.358 1.826 245 2HB LYS 29 1HB LYS 29 1.411 -6.106 1.836 246 1HG LYS 29 2HG LYS 29 3.757 -5.990 0.881 247 2HG LYS 29 1HG LYS 29 3.713 -4.268 1.271 248 1HD LYS 29 2HD LYS 29 3.221 -4.842 3.615 249 2HD LYS 29 1HD LYS 29 3.334 -6.550 3.204 250 1HE LYS 29 2HE LYS 29 5.551 -4.517 3.010 251 2HE LYS 29 1HE LYS 29 5.409 -5.794 4.217 252 1HZ LYS 29 1HZ LYS 29 6.889 -6.627 2.621 253 2HZ LYS 29 2HZ LYS 29 5.962 -6.061 1.326 254 3HZ LYS 29 3HZ LYS 29 5.412 -7.376 2.238 255 H ILE 30 H ILE 30 0.384 -7.540 -0.382 256 HA ILE 30 HA ILE 30 -2.403 -6.542 -0.497 257 HB ILE 30 HB ILE 30 -1.805 -9.278 -1.427 258 1HG1 ILE 30 2HG1 ILE 30 0.025 -7.981 -2.486 259 2HG1 ILE 30 1HG1 ILE 30 -1.125 -8.596 -3.662 260 1HG2 ILE 30 1HG2 ILE 30 -3.596 -7.078 -2.413 261 2HG2 ILE 30 2HG2 ILE 30 -4.063 -8.457 -1.417 262 3HG2 ILE 30 3HG2 ILE 30 -3.532 -8.708 -3.082 263 1HD1 ILE 30 1HD1 ILE 30 -2.162 -6.378 -3.791 264 2HD1 ILE 30 2HD1 ILE 30 -0.448 -6.346 -4.216 265 3HD1 ILE 30 3HD1 ILE 30 -0.974 -5.775 -2.633 266 H LYS 31 H LYS 31 -3.771 -7.264 0.963 267 HA LYS 31 HA LYS 31 -2.930 -9.511 2.663 268 1HB LYS 31 2HB LYS 31 -2.774 -7.387 3.875 269 2HB LYS 31 1HB LYS 31 -4.458 -7.048 3.506 270 1HG LYS 31 2HG LYS 31 -4.335 -7.846 5.736 271 2HG LYS 31 1HG LYS 31 -5.083 -9.102 4.756 272 1HD LYS 31 2HD LYS 31 -2.881 -10.236 4.613 273 2HD LYS 31 1HD LYS 31 -2.214 -9.007 5.690 274 1HE LYS 31 2HE LYS 31 -2.744 -10.918 7.015 275 2HE LYS 31 1HE LYS 31 -3.925 -9.665 7.384 276 1HZ LYS 31 1HZ LYS 31 -4.348 -12.006 5.602 277 2HZ LYS 31 2HZ LYS 31 -5.481 -10.777 5.866 278 3HZ LYS 31 3HZ LYS 31 -5.016 -11.786 7.144 279 H LEU 32 H LEU 32 -4.255 -11.178 2.553 280 HA LEU 32 HA LEU 32 -6.816 -11.014 1.299 281 1HB LEU 32 2HB LEU 32 -5.569 -13.228 2.923 282 2HB LEU 32 1HB LEU 32 -7.045 -13.373 2.009 283 HG LEU 32 HG LEU 32 -5.683 -12.866 -0.070 284 1HD1 LEU 32 1HD1 LEU 32 -3.396 -13.415 1.814 285 2HD1 LEU 32 2HD1 LEU 32 -3.708 -11.905 0.956 286 3HD1 LEU 32 3HD1 LEU 32 -3.280 -13.361 0.054 287 1HD2 LEU 32 1HD2 LEU 32 -5.066 -15.360 1.492 288 2HD2 LEU 32 2HD2 LEU 32 -4.862 -15.153 -0.246 289 3HD2 LEU 32 3HD2 LEU 32 -6.475 -15.090 0.466 290 H GLU 33 H GLU 33 -8.636 -10.353 2.298 291 HA GLU 33 HA GLU 33 -8.557 -10.349 5.224 292 1HB GLU 33 2HB GLU 33 -9.112 -8.128 3.329 293 2HB GLU 33 1HB GLU 33 -9.896 -8.139 4.891 294 1HG GLU 33 2HG GLU 33 -7.676 -8.312 5.967 295 2HG GLU 33 1HG GLU 33 -6.938 -8.177 4.372 296 H LEU 34 H LEU 34 -10.607 -10.077 6.277 297 HA LEU 34 HA LEU 34 -12.818 -11.299 4.821 298 1HB LEU 34 2HB LEU 34 -13.058 -12.754 6.981 299 2HB LEU 34 1HB LEU 34 -11.966 -13.231 5.700 300 HG LEU 34 HG LEU 34 -10.136 -12.069 7.023 301 1HD1 LEU 34 1HD1 LEU 34 -10.499 -11.867 9.436 302 2HD1 LEU 34 2HD1 LEU 34 -12.205 -12.250 9.206 303 3HD1 LEU 34 3HD1 LEU 34 -11.534 -10.769 8.522 304 1HD2 LEU 34 1HD2 LEU 34 -9.792 -14.014 8.455 305 2HD2 LEU 34 2HD2 LEU 34 -10.344 -14.493 6.850 306 3HD2 LEU 34 3HD2 LEU 34 -11.470 -14.499 8.207 307 H LYS 35 H LYS 35 -14.469 -11.713 7.065 308 HA LYS 35 HA LYS 35 -15.134 -8.935 7.690 309 1HB LYS 35 2HB LYS 35 -16.857 -10.263 6.589 310 2HB LYS 35 1HB LYS 35 -16.778 -11.470 7.857 311 1HG LYS 35 2HG LYS 35 -18.730 -10.123 8.152 312 2HG LYS 35 1HG LYS 35 -17.591 -9.783 9.455 313 1HD LYS 35 2HD LYS 35 -16.850 -7.766 8.251 314 2HD LYS 35 1HD LYS 35 -18.032 -8.104 6.985 315 1HE LYS 35 2HE LYS 35 -19.844 -7.885 8.603 316 2HE LYS 35 1HE LYS 35 -18.672 -7.594 9.889 317 1HZ LYS 35 1HZ LYS 35 -17.940 -5.612 8.662 318 2HZ LYS 35 2HZ LYS 35 -19.558 -5.519 9.151 319 3HZ LYS 35 3HZ LYS 35 -19.179 -5.863 7.529 320 H VAL 36 H VAL 36 -15.897 -8.411 9.811 321 HA VAL 36 HA VAL 36 -14.249 -9.407 11.919 322 HB VAL 36 HB VAL 36 -16.671 -7.592 12.104 323 1HG1 VAL 36 1HG1 VAL 36 -14.343 -8.001 13.979 324 2HG1 VAL 36 2HG1 VAL 36 -16.038 -8.378 14.292 325 3HG1 VAL 36 3HG1 VAL 36 -15.525 -6.701 14.126 326 1HG2 VAL 36 1HG2 VAL 36 -13.770 -6.884 11.684 327 2HG2 VAL 36 2HG2 VAL 36 -15.070 -5.733 11.986 328 3HG2 VAL 36 3HG2 VAL 36 -15.076 -6.696 10.509 329 H GLU 37 H GLU 37 -15.343 -10.080 14.070 330 HA GLU 37 HA GLU 37 -15.938 -11.990 15.033 331 1HB GLU 37 2HB GLU 37 -18.292 -12.113 15.388 332 2HB GLU 37 1HB GLU 37 -17.767 -10.463 15.468 333 1HG GLU 37 2HG GLU 37 -18.671 -10.055 13.245 334 2HG GLU 37 1HG GLU 37 -19.184 -11.738 13.141 335 HA PRO 38 HA PRO 38 -15.553 -14.479 11.268 336 1HB PRO 38 2HB PRO 38 -13.907 -16.343 12.355 337 2HB PRO 38 1HB PRO 38 -13.339 -14.764 11.797 338 1HG PRO 38 2HG PRO 38 -13.998 -15.667 14.576 339 2HG PRO 38 1HG PRO 38 -12.616 -14.710 14.007 340 1HD PRO 38 2HD PRO 38 -14.766 -13.578 15.182 341 2HD PRO 38 1HD PRO 38 -13.842 -12.760 13.907 342 H ILE 39 H ILE 39 -15.693 -16.870 10.863 343 HA ILE 39 HA ILE 39 -18.199 -17.800 11.883 344 HB ILE 39 HB ILE 39 -16.246 -19.341 10.179 345 1HG1 ILE 39 2HG1 ILE 39 -18.410 -17.434 9.265 346 2HG1 ILE 39 1HG1 ILE 39 -16.679 -17.110 9.202 347 1HG2 ILE 39 1HG2 ILE 39 -18.045 -20.687 11.056 348 2HG2 ILE 39 2HG2 ILE 39 -18.269 -20.447 9.324 349 3HG2 ILE 39 3HG2 ILE 39 -19.235 -19.521 10.473 350 1HD1 ILE 39 1HD1 ILE 39 -18.136 -19.274 7.697 351 2HD1 ILE 39 2HD1 ILE 39 -16.397 -18.981 7.651 352 3HD1 ILE 39 3HD1 ILE 39 -17.513 -17.766 7.026 353 H ASP 40 H ASP 40 -18.572 -19.717 13.038 354 HA ASP 40 HA ASP 40 -16.347 -20.506 14.785 355 1HB ASP 40 2HB ASP 40 -18.504 -19.672 15.804 356 2HB ASP 40 1HB ASP 40 -19.294 -21.099 15.148 357 H LEU 41 H LEU 41 -15.257 -22.122 13.881 358 HA LEU 41 HA LEU 41 -16.561 -23.967 12.077 359 1HB LEU 41 2HB LEU 41 -14.286 -22.884 11.738 360 2HB LEU 41 1HB LEU 41 -13.679 -23.972 12.968 361 HG LEU 41 HG LEU 41 -14.341 -25.898 11.546 362 1HD1 LEU 41 1HD1 LEU 41 -14.915 -25.497 9.201 363 2HD1 LEU 41 2HD1 LEU 41 -14.962 -23.761 9.508 364 3HD1 LEU 41 3HD1 LEU 41 -16.132 -24.827 10.285 365 1HD2 LEU 41 1HD2 LEU 41 -12.543 -25.645 9.922 366 2HD2 LEU 41 2HD2 LEU 41 -12.057 -25.017 11.496 367 3HD2 LEU 41 3HD2 LEU 41 -12.515 -23.905 10.207 368 H GLY 42 H GLY 42 -15.412 -26.325 12.313 369 1HA GLY 42 2HA GLY 42 -15.597 -27.296 15.025 370 2HA GLY 42 1HA GLY 42 -16.830 -27.863 13.900 371 H GLU 43 H GLU 43 -14.899 -29.445 15.203 372 HA GLU 43 HA GLU 43 -12.639 -30.109 13.760 373 1HB GLU 43 2HB GLU 43 -14.283 -32.275 15.010 374 2HB GLU 43 1HB GLU 43 -12.542 -32.099 14.954 375 1HG GLU 43 2HG GLU 43 -13.000 -31.675 17.158 376 2HG GLU 43 1HG GLU 43 -12.938 -30.049 16.476 377 HA PRO 44 HA PRO 44 -14.294 -31.655 9.878 378 1HB PRO 44 2HB PRO 44 -11.596 -32.920 9.857 379 2HB PRO 44 1HB PRO 44 -12.401 -31.971 8.602 380 1HG PRO 44 2HG PRO 44 -10.442 -30.905 10.056 381 2HG PRO 44 1HG PRO 44 -11.864 -29.946 9.602 382 1HD PRO 44 2HD PRO 44 -11.176 -31.186 12.227 383 2HD PRO 44 1HD PRO 44 -11.982 -29.641 11.885 384 H VAL 45 H VAL 45 -15.486 -33.445 9.614 385 HA VAL 45 HA VAL 45 -15.437 -35.478 11.606 386 HB VAL 45 HB VAL 45 -17.556 -34.944 10.804 387 1HG1 VAL 45 1HG1 VAL 45 -16.545 -35.458 8.013 388 2HG1 VAL 45 2HG1 VAL 45 -16.988 -33.897 8.705 389 3HG1 VAL 45 3HG1 VAL 45 -18.227 -35.120 8.425 390 1HG2 VAL 45 1HG2 VAL 45 -18.437 -37.036 9.828 391 2HG2 VAL 45 2HG2 VAL 45 -17.387 -37.287 11.222 392 3HG2 VAL 45 3HG2 VAL 45 -16.776 -37.578 9.593 393 H SER 46 H SER 46 -14.967 -37.577 11.466 394 HA SER 46 HA SER 46 -13.186 -38.371 9.271 395 1HB SER 46 2HB SER 46 -13.137 -39.452 12.085 396 2HB SER 46 1HB SER 46 -11.902 -39.586 10.852 397 HG SER 46 HG SER 46 -12.437 -36.999 11.299 398 H VAL 47 H VAL 47 -13.135 -40.729 8.882 399 HA VAL 47 HA VAL 47 -15.777 -41.923 9.338 400 HB VAL 47 HB VAL 47 -15.548 -41.311 7.033 401 1HG1 VAL 47 1HG1 VAL 47 -13.821 -42.297 5.570 402 2HG1 VAL 47 2HG1 VAL 47 -13.029 -42.957 7.002 403 3HG1 VAL 47 3HG1 VAL 47 -13.157 -41.211 6.791 404 1HG2 VAL 47 1HG2 VAL 47 -15.261 -44.281 7.396 405 2HG2 VAL 47 2HG2 VAL 47 -15.890 -43.484 5.954 406 3HG2 VAL 47 3HG2 VAL 47 -16.754 -43.350 7.484 407 H GLU 48 H GLU 48 -15.789 -43.636 10.520 408 HA GLU 48 HA GLU 48 -13.317 -45.131 11.010 409 1HB GLU 48 2HB GLU 48 -14.589 -46.172 12.836 410 2HB GLU 48 1HB GLU 48 -14.612 -44.421 12.934 411 1HG GLU 48 2HG GLU 48 -16.847 -44.345 12.064 412 2HG GLU 48 1HG GLU 48 -16.834 -46.086 11.793 413 H GLU 49 H GLU 49 -16.077 -45.300 9.144 414 HA GLU 49 HA GLU 49 -16.730 -48.011 9.178 415 1HB GLU 49 2HB GLU 49 -16.997 -46.063 6.895 416 2HB GLU 49 1HB GLU 49 -17.840 -47.599 7.037 417 1HG GLU 49 2HG GLU 49 -19.027 -46.824 8.980 418 2HG GLU 49 1HG GLU 49 -18.114 -45.316 8.974 419 H ILE 50 H ILE 50 -14.106 -46.403 7.626 420 HA ILE 50 HA ILE 50 -13.661 -48.605 5.770 421 HB ILE 50 HB ILE 50 -13.498 -46.283 4.930 422 1HG1 ILE 50 2HG1 ILE 50 -10.885 -47.807 4.853 423 2HG1 ILE 50 1HG1 ILE 50 -12.267 -48.098 3.806 424 1HG2 ILE 50 1HG2 ILE 50 -12.612 -45.211 6.922 425 2HG2 ILE 50 2HG2 ILE 50 -11.553 -44.909 5.544 426 3HG2 ILE 50 3HG2 ILE 50 -11.104 -46.111 6.754 427 1HD1 ILE 50 1HD1 ILE 50 -10.671 -45.547 3.902 428 2HD1 ILE 50 2HD1 ILE 50 -12.000 -45.912 2.803 429 3HD1 ILE 50 3HD1 ILE 50 -10.493 -46.823 2.699 430 H LYS 51 H LYS 51 -12.679 -47.690 8.839 431 HA LYS 51 HA LYS 51 -10.343 -49.461 8.735 432 1HB LYS 51 2HB LYS 51 -9.497 -47.214 8.431 433 2HB LYS 51 1HB LYS 51 -10.417 -46.637 9.806 434 1HG LYS 51 2HG LYS 51 -9.044 -48.089 11.273 435 2HG LYS 51 1HG LYS 51 -8.058 -48.503 9.866 436 1HD LYS 51 2HD LYS 51 -7.435 -46.202 9.561 437 2HD LYS 51 1HD LYS 51 -8.534 -45.694 10.842 438 1HE LYS 51 2HE LYS 51 -7.196 -46.992 12.463 439 2HE LYS 51 1HE LYS 51 -6.075 -47.404 11.164 440 1HZ LYS 51 1HZ LYS 51 -5.544 -45.094 10.881 441 2HZ LYS 51 2HZ LYS 51 -5.316 -45.512 12.510 442 3HZ LYS 51 3HZ LYS 51 -6.689 -44.636 12.044 443 H LYS 52 H LYS 52 -10.227 -50.783 10.513 444 HA LYS 52 HA LYS 52 -11.674 -50.066 12.930 445 1HB LYS 52 2HB LYS 52 -13.271 -51.089 11.193 446 2HB LYS 52 1HB LYS 52 -12.431 -52.600 11.497 447 1HG LYS 52 2HG LYS 52 -13.124 -52.598 13.790 448 2HG LYS 52 1HG LYS 52 -13.801 -50.974 13.629 449 1HD LYS 52 2HD LYS 52 -15.373 -51.851 11.932 450 2HD LYS 52 1HD LYS 52 -14.746 -53.472 12.238 451 1HE LYS 52 2HE LYS 52 -15.482 -53.340 14.555 452 2HE LYS 52 1HE LYS 52 -16.057 -51.692 14.292 453 1HZ LYS 52 1HZ LYS 52 -17.098 -54.152 12.994 454 2HZ LYS 52 2HZ LYS 52 -17.611 -52.583 12.629 455 3HZ LYS 52 3HZ LYS 52 -17.891 -53.224 14.170 456 H ILE 53 H ILE 53 -10.917 -51.121 14.711 457 HA ILE 53 HA ILE 53 -8.505 -52.705 14.318 458 HB ILE 53 HB ILE 53 -9.661 -51.463 16.824 459 1HG1 ILE 53 2HG1 ILE 53 -7.430 -50.155 16.632 460 2HG1 ILE 53 1HG1 ILE 53 -7.434 -50.685 14.956 461 1HG2 ILE 53 1HG2 ILE 53 -7.048 -52.919 16.458 462 2HG2 ILE 53 2HG2 ILE 53 -8.456 -53.517 17.334 463 3HG2 ILE 53 3HG2 ILE 53 -7.587 -52.102 17.924 464 1HD1 ILE 53 1HD1 ILE 53 -9.615 -49.086 16.266 465 2HD1 ILE 53 2HD1 ILE 53 -9.526 -49.548 14.566 466 3HD1 ILE 53 3HD1 ILE 53 -8.340 -48.429 15.240 467 H ARG 54 H ARG 54 -8.702 -54.822 14.226 468 HA ARG 54 HA ARG 54 -10.781 -56.154 15.824 469 1HB ARG 54 2HB ARG 54 -9.113 -57.152 13.499 470 2HB ARG 54 1HB ARG 54 -10.288 -58.128 14.374 471 1HG ARG 54 2HG ARG 54 -12.097 -56.861 13.577 472 2HG ARG 54 1HG ARG 54 -11.043 -55.556 13.031 473 1HD ARG 54 2HD ARG 54 -11.838 -56.843 11.141 474 2HD ARG 54 1HD ARG 54 -10.098 -57.038 11.330 475 HE ARG 54 HE ARG 54 -11.389 -59.138 12.678 476 1HH1 ARG 54 1HH1 ARG 54 -10.845 -57.952 9.429 477 2HH1 ARG 54 2HH1 ARG 54 -10.973 -59.524 8.691 478 1HH2 ARG 54 1HH2 ARG 54 -11.533 -61.224 11.712 479 2HH2 ARG 54 2HH2 ARG 54 -11.331 -61.382 9.991 480 H ASP 55 H ASP 55 -10.023 -56.619 17.795 481 HA ASP 55 HA ASP 55 -7.208 -56.831 18.290 482 1HB ASP 55 2HB ASP 55 -8.659 -55.695 19.879 483 2HB ASP 55 1HB ASP 55 -9.551 -57.184 20.158 484 H GLY 56 H GLY 56 -6.113 -58.541 19.215 485 1HA GLY 56 2HA GLY 56 -7.320 -61.187 18.692 486 2HA GLY 56 1HA GLY 56 -5.677 -60.799 18.204 487 H THR 57 H THR 57 -7.660 -61.979 20.677 488 HA THR 57 HA THR 57 -5.828 -61.521 22.844 489 HB THR 57 HB THR 57 -7.456 -63.192 23.975 490 HG1 THR 57 HG1 THR 57 -9.038 -62.460 21.714 491 1HG2 THR 57 1HG2 THR 57 -8.421 -60.511 22.980 492 2HG2 THR 57 2HG2 THR 57 -7.461 -60.801 24.429 493 3HG2 THR 57 3HG2 THR 57 -9.114 -61.407 24.334 494 H TRP 58 H TRP 58 -4.177 -62.779 23.425 495 HA TRP 58 HA TRP 58 -4.219 -65.629 22.783 496 1HB TRP 58 2HB TRP 58 -3.022 -64.377 20.939 497 2HB TRP 58 1HB TRP 58 -1.819 -63.907 22.132 498 HD1 TRP 58 HD1 TRP 58 0.239 -65.414 22.122 499 HE1 TRP 58 HE1 TRP 58 0.746 -67.867 21.506 500 HE3 TRP 58 HE3 TRP 58 -4.485 -66.926 20.886 501 HZ2 TRP 58 HZ2 TRP 58 -0.676 -70.135 20.625 502 HZ3 TRP 58 HZ3 TRP 58 -4.829 -69.255 20.167 503 HH2 TRP 58 HH2 TRP 58 -2.966 -70.825 20.040 504 H MET 59 H MET 59 -3.151 -66.880 24.284 505 HA MET 59 HA MET 59 -1.405 -65.742 26.261 506 1HB MET 59 2HB MET 59 -3.578 -65.040 27.165 507 2HB MET 59 1HB MET 59 -4.169 -66.692 27.063 508 1HG MET 59 2HG MET 59 -2.488 -67.376 28.719 509 2HG MET 59 1HG MET 59 -1.951 -65.702 28.847 510 1HE MET 59 1HE MET 59 -4.648 -64.085 28.668 511 2HE MET 59 2HE MET 59 -3.433 -63.740 29.899 512 3HE MET 59 3HE MET 59 -5.121 -63.952 30.362 513 H SER 60 H SER 60 -0.242 -67.315 27.351 514 HA SER 60 HA SER 60 -0.680 -70.070 26.426 515 1HB SER 60 2HB SER 60 1.755 -68.849 27.762 516 2HB SER 60 1HB SER 60 1.644 -70.482 27.108 517 HG SER 60 HG SER 60 1.698 -68.011 25.752 518 H SER 61 H SER 61 -0.356 -71.815 28.011 519 HA SER 61 HA SER 61 -1.917 -71.310 30.356 520 1HB SER 61 2HB SER 61 -0.505 -73.862 29.553 521 2HB SER 61 1HB SER 61 -1.848 -73.707 30.685 522 HG SER 61 HG SER 61 -3.092 -73.939 29.026 523 H LEU 62 H LEU 62 1.221 -70.740 29.823 524 HA LEU 62 HA LEU 62 3.098 -70.491 31.015 525 1HB LEU 62 2HB LEU 62 1.026 -69.528 32.505 526 2HB LEU 62 1HB LEU 62 1.774 -70.654 33.621 527 HG LEU 62 HG LEU 62 3.964 -69.494 33.070 528 1HD1 LEU 62 1HD1 LEU 62 3.809 -67.200 32.276 529 2HD1 LEU 62 2HD1 LEU 62 2.075 -67.403 32.026 530 3HD1 LEU 62 3HD1 LEU 62 3.218 -68.340 31.064 531 1HD2 LEU 62 1HD2 LEU 62 2.862 -69.218 35.210 532 2HD2 LEU 62 2HD2 LEU 62 1.789 -68.001 34.524 533 3HD2 LEU 62 3HD2 LEU 62 3.513 -67.670 34.669 534 H GLU 63 H GLU 63 3.849 -71.419 33.556 535 HA GLU 63 HA GLU 63 3.497 -74.301 33.574 536 1HB GLU 63 2HB GLU 63 5.412 -73.564 31.946 537 2HB GLU 63 1HB GLU 63 6.310 -73.242 33.420 538 1HG GLU 63 2HG GLU 63 5.097 -75.900 32.706 539 2HG GLU 63 1HG GLU 63 6.773 -75.452 32.403 540 H HIS 64 H HIS 64 3.106 -74.684 35.669 541 HA HIS 64 HA HIS 64 4.405 -73.002 37.674 542 1HB HIS 64 2HB HIS 64 2.795 -74.154 39.278 543 2HB HIS 64 1HB HIS 64 2.088 -73.066 38.097 544 HD1 HIS 64 HD1 HIS 64 0.359 -74.004 36.535 545 HD2 HIS 64 HD2 HIS 64 2.273 -76.947 38.773 546 HE1 HIS 64 HE1 HIS 64 -0.942 -76.119 36.135 547 HE2 HIS 64 HE2 HIS 64 0.337 -77.916 37.346 548 H HIS 65 H HIS 65 6.354 -73.710 38.142 549 HA HIS 65 HA HIS 65 7.055 -76.481 37.959 550 1HB HIS 65 2HB HIS 65 8.447 -74.118 37.780 551 2HB HIS 65 1HB HIS 65 8.939 -74.724 39.361 552 HD1 HIS 65 HD1 HIS 65 8.705 -75.976 35.778 553 HD2 HIS 65 HD2 HIS 65 10.943 -76.557 39.244 554 HE1 HIS 65 HE1 HIS 65 10.552 -77.564 35.142 555 HE2 HIS 65 HE2 HIS 65 11.995 -77.757 37.202 556 H HIS 66 H HIS 66 7.386 -77.944 39.580 557 HA HIS 66 HA HIS 66 6.963 -77.094 42.335 558 1HB HIS 66 2HB HIS 66 5.076 -78.566 42.715 559 2HB HIS 66 1HB HIS 66 4.689 -77.486 41.384 560 HD1 HIS 66 HD1 HIS 66 3.992 -80.725 42.250 561 HD2 HIS 66 HD2 HIS 66 5.673 -79.079 38.818 562 HE1 HIS 66 HE1 HIS 66 3.685 -82.450 40.443 563 HE2 HIS 66 HE2 HIS 66 4.871 -81.506 38.429 564 H HIS 67 H HIS 67 6.835 -79.258 43.720 565 HA HIS 67 HA HIS 67 8.673 -81.265 42.618 566 1HB HIS 67 2HB HIS 67 10.174 -81.152 44.378 567 2HB HIS 67 1HB HIS 67 9.724 -79.459 44.242 568 HD1 HIS 67 HD1 HIS 67 7.769 -78.695 46.035 569 HD2 HIS 67 HD2 HIS 67 9.863 -82.193 46.856 570 HE1 HIS 67 HE1 HIS 67 7.362 -79.177 48.466 571 HE2 HIS 67 HE2 HIS 67 8.425 -81.431 48.866 572 H HIS 68 H HIS 68 8.573 -83.321 43.933 573 HA HIS 68 HA HIS 68 6.018 -83.511 45.361 574 1HB HIS 68 2HB HIS 68 5.556 -85.702 44.425 575 2HB HIS 68 1HB HIS 68 5.732 -84.525 43.135 576 HD1 HIS 68 HD1 HIS 68 6.806 -87.788 44.190 577 HD2 HIS 68 HD2 HIS 68 8.382 -84.763 41.811 578 HE1 HIS 68 HE1 HIS 68 8.573 -88.891 42.773 579 HE2 HIS 68 HE2 HIS 68 9.376 -87.080 41.212 580 H HIS 69 H HIS 69 6.721 -83.507 47.343 581 HA HIS 69 HA HIS 69 7.737 -85.754 48.621 582 1HB HIS 69 2HB HIS 69 9.876 -85.116 47.443 583 2HB HIS 69 1HB HIS 69 9.851 -83.596 48.334 584 HD1 HIS 69 HD1 HIS 69 11.506 -86.688 48.462 585 HD2 HIS 69 HD2 HIS 69 9.619 -84.344 51.338 586 HE1 HIS 69 HE1 HIS 69 12.427 -87.446 50.674 587 HE2 HIS 69 HE2 HIS 69 11.135 -86.143 52.404 588 1H MET 1 1H MET 1 -3.301 -20.455 5.776 589 2H MET 1 2H MET 1 -3.246 -19.074 4.789 590 3H MET 1 3H MET 1 -4.169 -19.066 6.214 591 HA MET 1 HA MET 1 -2.272 -19.167 7.578 592 1HB MET 1 2HB MET 1 0.015 -19.136 6.548 593 2HB MET 1 1HB MET 1 -0.861 -20.636 6.316 594 1HG MET 1 2HG MET 1 0.145 -20.249 4.264 595 2HG MET 1 1HG MET 1 -1.511 -19.697 4.028 596 1HE MET 1 1HE MET 1 -0.727 -18.437 1.812 597 2HE MET 1 2HE MET 1 0.932 -18.969 2.074 598 3HE MET 1 3HE MET 1 0.589 -17.264 1.772 599 HA PRO 2 HA PRO 2 -2.259 -14.804 7.017 600 1HB PRO 2 2HB PRO 2 -0.599 -14.296 9.236 601 2HB PRO 2 1HB PRO 2 -2.355 -14.429 9.241 602 1HG PRO 2 2HG PRO 2 -0.543 -16.198 10.463 603 2HG PRO 2 1HG PRO 2 -2.275 -16.464 10.215 604 1HD PRO 2 2HD PRO 2 0.042 -17.485 8.658 605 2HD PRO 2 1HD PRO 2 -1.548 -18.224 8.941 606 H LYS 3 H LYS 3 -1.067 -14.456 5.127 607 HA LYS 3 HA LYS 3 1.531 -13.241 5.648 608 1HB LYS 3 2HB LYS 3 1.027 -15.379 3.593 609 2HB LYS 3 1HB LYS 3 2.294 -14.184 3.364 610 1HG LYS 3 2HG LYS 3 3.274 -14.906 5.532 611 2HG LYS 3 1HG LYS 3 2.071 -16.197 5.586 612 1HD LYS 3 2HD LYS 3 2.932 -17.137 3.528 613 2HD LYS 3 1HD LYS 3 4.062 -15.794 3.352 614 1HE LYS 3 2HE LYS 3 5.290 -17.639 4.203 615 2HE LYS 3 1HE LYS 3 5.089 -16.493 5.526 616 1HZ LYS 3 1HZ LYS 3 4.690 -18.697 6.313 617 2HZ LYS 3 2HZ LYS 3 3.551 -18.998 5.098 618 3HZ LYS 3 3HZ LYS 3 3.215 -17.861 6.318 619 H ILE 4 H ILE 4 2.180 -11.750 3.935 620 HA ILE 4 HA ILE 4 -0.075 -10.728 2.385 621 HB ILE 4 HB ILE 4 1.396 -8.686 2.129 622 1HG1 ILE 4 2HG1 ILE 4 3.431 -9.922 3.090 623 2HG1 ILE 4 1HG1 ILE 4 3.168 -8.254 3.542 624 1HG2 ILE 4 1HG2 ILE 4 -0.594 -8.646 3.462 625 2HG2 ILE 4 2HG2 ILE 4 0.681 -7.697 4.232 626 3HG2 ILE 4 3HG2 ILE 4 0.289 -9.306 4.843 627 1HD1 ILE 4 1HD1 ILE 4 2.457 -10.633 5.239 628 2HD1 ILE 4 2HD1 ILE 4 2.257 -8.942 5.685 629 3HD1 ILE 4 3HD1 ILE 4 3.874 -9.604 5.445 630 H ILE 5 H ILE 5 0.178 -10.394 0.197 631 HA ILE 5 HA ILE 5 2.612 -11.517 -0.996 632 HB ILE 5 HB ILE 5 0.256 -10.527 -2.564 633 1HG1 ILE 5 2HG1 ILE 5 -0.642 -12.103 -0.880 634 2HG1 ILE 5 1HG1 ILE 5 -0.750 -12.757 -2.505 635 1HG2 ILE 5 1HG2 ILE 5 2.287 -11.042 -3.788 636 2HG2 ILE 5 2HG2 ILE 5 1.007 -12.181 -4.202 637 3HG2 ILE 5 3HG2 ILE 5 2.302 -12.670 -3.110 638 1HD1 ILE 5 1HD1 ILE 5 -0.059 -14.449 -0.913 639 2HD1 ILE 5 2HD1 ILE 5 1.337 -13.469 -0.471 640 3HD1 ILE 5 3HD1 ILE 5 1.210 -14.135 -2.097 641 H GLU 6 H GLU 6 3.926 -10.217 -2.304 642 HA GLU 6 HA GLU 6 3.418 -7.347 -2.039 643 1HB GLU 6 2HB GLU 6 5.955 -8.927 -2.338 644 2HB GLU 6 1HB GLU 6 5.910 -7.207 -2.691 645 1HG GLU 6 2HG GLU 6 6.681 -7.476 -0.458 646 2HG GLU 6 1HG GLU 6 5.053 -6.824 -0.390 647 H ALA 7 H ALA 7 3.263 -6.065 -3.784 648 HA ALA 7 HA ALA 7 3.554 -7.307 -6.426 649 1HB ALA 7 1HB ALA 7 1.225 -7.584 -5.740 650 2HB ALA 7 2HB ALA 7 1.358 -6.455 -7.089 651 3HB ALA 7 3HB ALA 7 1.096 -5.848 -5.454 652 H VAL 8 H VAL 8 3.731 -5.834 -8.152 653 HA VAL 8 HA VAL 8 4.184 -3.030 -7.427 654 HB VAL 8 HB VAL 8 5.515 -3.033 -9.642 655 1HG1 VAL 8 1HG1 VAL 8 6.566 -2.670 -7.498 656 2HG1 VAL 8 2HG1 VAL 8 7.577 -3.737 -8.473 657 3HG1 VAL 8 3HG1 VAL 8 6.581 -4.404 -7.179 658 1HG2 VAL 8 1HG2 VAL 8 6.613 -5.151 -10.197 659 2HG2 VAL 8 2HG2 VAL 8 4.865 -5.255 -10.405 660 3HG2 VAL 8 3HG2 VAL 8 5.626 -5.974 -8.986 661 H TYR 9 H TYR 9 2.554 -1.821 -8.148 662 HA TYR 9 HA TYR 9 0.809 -2.980 -10.162 663 1HB TYR 9 2HB TYR 9 -0.890 -1.689 -9.145 664 2HB TYR 9 1HB TYR 9 -0.058 -2.582 -7.905 665 HD1 TYR 9 HD1 TYR 9 1.817 -1.223 -6.663 666 HD2 TYR 9 HD2 TYR 9 -1.409 0.496 -8.818 667 HE1 TYR 9 HE1 TYR 9 2.028 0.823 -5.331 668 HE2 TYR 9 HE2 TYR 9 -1.192 2.556 -7.514 669 HH TYR 9 HH TYR 9 1.309 3.477 -5.921 670 H GLU 10 H GLU 10 0.175 -2.045 -11.823 671 HA GLU 10 HA GLU 10 1.344 0.410 -12.751 672 1HB GLU 10 2HB GLU 10 -0.031 -1.892 -13.997 673 2HB GLU 10 1HB GLU 10 -0.297 -0.330 -14.752 674 1HG GLU 10 2HG GLU 10 1.515 -1.453 -15.845 675 2HG GLU 10 1HG GLU 10 2.129 -0.045 -14.987 676 H ASN 11 H ASN 11 -0.656 1.361 -14.324 677 HA ASN 11 HA ASN 11 -1.812 3.129 -12.469 678 1HB ASN 11 2HB ASN 11 -1.669 2.711 -15.329 679 2HB ASN 11 1HB ASN 11 -3.229 3.335 -14.824 680 1HD2 ASN 11 1HD2 ASN 11 -0.323 4.030 -13.058 681 2HD2 ASN 11 2HD2 ASN 11 -0.193 5.689 -13.508 682 H GLY 12 H GLY 12 -2.673 1.045 -11.412 683 1HA GLY 12 2HA GLY 12 -4.940 0.946 -10.431 684 2HA GLY 12 1HA GLY 12 -5.568 0.942 -12.080 685 H VAL 13 H VAL 13 -2.874 -0.732 -12.348 686 HA VAL 13 HA VAL 13 -4.296 -3.304 -12.027 687 HB VAL 13 HB VAL 13 -1.693 -3.229 -13.417 688 1HG1 VAL 13 1HG1 VAL 13 -4.399 -4.353 -14.148 689 2HG1 VAL 13 2HG1 VAL 13 -3.081 -5.226 -13.367 690 3HG1 VAL 13 3HG1 VAL 13 -2.896 -4.648 -15.023 691 1HG2 VAL 13 1HG2 VAL 13 -4.099 -1.835 -14.604 692 2HG2 VAL 13 2HG2 VAL 13 -2.642 -2.279 -15.494 693 3HG2 VAL 13 3HG2 VAL 13 -2.550 -1.099 -14.186 694 H PHE 14 H PHE 14 -3.390 -4.913 -10.646 695 HA PHE 14 HA PHE 14 -0.833 -4.124 -9.400 696 1HB PHE 14 2HB PHE 14 -3.236 -5.505 -8.235 697 2HB PHE 14 1HB PHE 14 -1.673 -5.515 -7.444 698 HD1 PHE 14 HD1 PHE 14 -1.047 -3.771 -6.054 699 HD2 PHE 14 HD2 PHE 14 -4.282 -3.211 -8.762 700 HE1 PHE 14 HE1 PHE 14 -1.520 -1.586 -5.039 701 HE2 PHE 14 HE2 PHE 14 -4.751 -1.017 -7.751 702 HZ PHE 14 HZ PHE 14 -3.356 -0.197 -5.886 703 H LYS 15 H LYS 15 0.843 -5.444 -9.716 704 HA LYS 15 HA LYS 15 0.318 -8.237 -10.508 705 1HB LYS 15 2HB LYS 15 2.518 -6.357 -11.393 706 2HB LYS 15 1HB LYS 15 2.398 -8.043 -11.836 707 1HG LYS 15 2HG LYS 15 0.439 -7.637 -13.142 708 2HG LYS 15 1HG LYS 15 0.313 -5.990 -12.516 709 1HD LYS 15 2HD LYS 15 2.509 -5.485 -13.557 710 2HD LYS 15 1HD LYS 15 2.497 -7.093 -14.282 711 1HE LYS 15 2HE LYS 15 0.573 -6.564 -15.590 712 2HE LYS 15 1HE LYS 15 0.327 -5.049 -14.721 713 1HZ LYS 15 1HZ LYS 15 2.647 -5.688 -16.470 714 2HZ LYS 15 2HZ LYS 15 2.431 -4.244 -15.602 715 3HZ LYS 15 3HZ LYS 15 1.365 -4.646 -16.859 716 HA PRO 16 HA PRO 16 2.781 -8.814 -6.755 717 1HB PRO 16 2HB PRO 16 2.807 -11.535 -6.833 718 2HB PRO 16 1HB PRO 16 1.461 -10.583 -6.203 719 1HG PRO 16 2HG PRO 16 1.764 -11.886 -8.870 720 2HG PRO 16 1HG PRO 16 0.334 -11.770 -7.831 721 1HD PRO 16 2HD PRO 16 0.709 -10.180 -9.989 722 2HD PRO 16 1HD PRO 16 -0.170 -9.645 -8.545 723 H LEU 17 H LEU 17 4.744 -9.816 -6.149 724 HA LEU 17 HA LEU 17 6.505 -10.675 -8.355 725 1HB LEU 17 2HB LEU 17 7.313 -9.389 -5.738 726 2HB LEU 17 1HB LEU 17 8.410 -9.932 -6.990 727 HG LEU 17 HG LEU 17 7.206 -8.200 -8.488 728 1HD1 LEU 17 1HD1 LEU 17 5.352 -7.724 -6.995 729 2HD1 LEU 17 2HD1 LEU 17 6.316 -6.276 -7.285 730 3HD1 LEU 17 3HD1 LEU 17 6.478 -7.150 -5.761 731 1HD2 LEU 17 1HD2 LEU 17 8.735 -6.461 -7.745 732 2HD2 LEU 17 2HD2 LEU 17 9.525 -8.038 -7.721 733 3HD2 LEU 17 3HD2 LEU 17 8.972 -7.305 -6.213 734 H GLN 18 H GLN 18 4.977 -11.362 -5.421 735 HA GLN 18 HA GLN 18 6.655 -13.687 -4.858 736 1HB GLN 18 2HB GLN 18 6.048 -12.264 -2.962 737 2HB GLN 18 1HB GLN 18 4.341 -12.458 -3.334 738 1HG GLN 18 2HG GLN 18 4.406 -14.764 -2.751 739 2HG GLN 18 1HG GLN 18 6.162 -14.725 -2.614 740 1HE2 GLN 18 1HE2 GLN 18 3.157 -13.777 -1.139 741 2HE2 GLN 18 2HE2 GLN 18 3.809 -13.369 0.408 742 H LYS 19 H LYS 19 5.757 -15.813 -4.852 743 HA LYS 19 HA LYS 19 3.999 -16.261 -7.001 744 1HB LYS 19 2HB LYS 19 4.053 -18.597 -6.413 745 2HB LYS 19 1HB LYS 19 5.669 -17.924 -6.285 746 1HG LYS 19 2HG LYS 19 5.815 -18.467 -4.155 747 2HG LYS 19 1HG LYS 19 4.256 -17.756 -3.773 748 1HD LYS 19 2HD LYS 19 4.576 -20.468 -5.055 749 2HD LYS 19 1HD LYS 19 4.465 -20.228 -3.311 750 1HE LYS 19 2HE LYS 19 2.286 -19.145 -3.611 751 2HE LYS 19 1HE LYS 19 2.394 -19.417 -5.347 752 1HZ LYS 19 1HZ LYS 19 2.260 -21.741 -5.032 753 2HZ LYS 19 2HZ LYS 19 1.027 -21.056 -4.081 754 3HZ LYS 19 3HZ LYS 19 2.455 -21.606 -3.350 755 H VAL 20 H VAL 20 1.927 -17.021 -7.040 756 HA VAL 20 HA VAL 20 0.357 -17.030 -4.621 757 HB VAL 20 HB VAL 20 0.150 -14.814 -5.218 758 1HG1 VAL 20 1HG1 VAL 20 -0.451 -13.979 -7.442 759 2HG1 VAL 20 2HG1 VAL 20 -0.415 -15.637 -8.043 760 3HG1 VAL 20 3HG1 VAL 20 1.066 -14.878 -7.458 761 1HG2 VAL 20 1HG2 VAL 20 -1.971 -15.838 -4.650 762 2HG2 VAL 20 2HG2 VAL 20 -2.261 -16.154 -6.361 763 3HG2 VAL 20 3HG2 VAL 20 -2.186 -14.495 -5.771 764 H ASP 21 H ASP 21 -1.155 -18.351 -4.572 765 HA ASP 21 HA ASP 21 -1.886 -19.825 -6.991 766 1HB ASP 21 2HB ASP 21 -2.200 -21.736 -5.435 767 2HB ASP 21 1HB ASP 21 -0.544 -21.216 -5.615 768 H LEU 22 H LEU 22 -2.919 -17.541 -5.271 769 HA LEU 22 HA LEU 22 -5.460 -18.297 -4.278 770 1HB LEU 22 2HB LEU 22 -4.461 -15.634 -5.292 771 2HB LEU 22 1HB LEU 22 -5.975 -15.876 -4.455 772 HG LEU 22 HG LEU 22 -3.231 -16.330 -3.305 773 1HD1 LEU 22 1HD1 LEU 22 -3.765 -13.976 -3.562 774 2HD1 LEU 22 2HD1 LEU 22 -3.808 -14.430 -1.858 775 3HD1 LEU 22 3HD1 LEU 22 -5.312 -14.220 -2.754 776 1HD2 LEU 22 1HD2 LEU 22 -4.397 -16.744 -1.202 777 2HD2 LEU 22 2HD2 LEU 22 -4.860 -17.922 -2.429 778 3HD2 LEU 22 3HD2 LEU 22 -5.947 -16.594 -2.027 779 H LYS 23 H LYS 23 -7.535 -17.313 -5.317 780 HA LYS 23 HA LYS 23 -7.451 -18.193 -8.109 781 1HB LYS 23 2HB LYS 23 -9.519 -18.615 -5.979 782 2HB LYS 23 1HB LYS 23 -9.889 -18.809 -7.682 783 1HG LYS 23 2HG LYS 23 -7.943 -20.436 -7.769 784 2HG LYS 23 1HG LYS 23 -7.979 -20.392 -6.006 785 1HD LYS 23 2HD LYS 23 -10.251 -21.188 -5.987 786 2HD LYS 23 1HD LYS 23 -10.332 -21.100 -7.746 787 1HE LYS 23 2HE LYS 23 -8.582 -22.929 -6.104 788 2HE LYS 23 1HE LYS 23 -9.992 -23.394 -7.056 789 1HZ LYS 23 1HZ LYS 23 -8.425 -22.127 -8.870 790 2HZ LYS 23 2HZ LYS 23 -8.520 -23.807 -8.663 791 3HZ LYS 23 3HZ LYS 23 -7.283 -22.931 -7.904 792 H GLU 24 H GLU 24 -9.076 -17.367 -9.525 793 HA GLU 24 HA GLU 24 -9.191 -14.579 -9.539 794 1HB GLU 24 2HB GLU 24 -10.981 -16.472 -11.049 795 2HB GLU 24 1HB GLU 24 -10.547 -14.842 -11.495 796 1HG GLU 24 2HG GLU 24 -9.167 -15.993 -12.881 797 2HG GLU 24 1HG GLU 24 -8.109 -15.811 -11.484 798 H GLY 25 H GLY 25 -10.432 -13.282 -8.478 799 1HA GLY 25 2HA GLY 25 -12.567 -12.496 -7.729 800 2HA GLY 25 1HA GLY 25 -13.084 -14.169 -7.574 801 H GLU 26 H GLU 26 -9.926 -13.736 -6.424 802 HA GLU 26 HA GLU 26 -10.826 -14.248 -3.743 803 1HB GLU 26 2HB GLU 26 -8.312 -14.387 -5.203 804 2HB GLU 26 1HB GLU 26 -8.096 -13.717 -3.590 805 1HG GLU 26 2HG GLU 26 -9.277 -16.372 -4.330 806 2HG GLU 26 1HG GLU 26 -7.779 -16.054 -3.461 807 H ARG 27 H ARG 27 -10.802 -12.924 -1.967 808 HA ARG 27 HA ARG 27 -10.947 -10.109 -2.634 809 1HB ARG 27 2HB ARG 27 -12.852 -11.206 -1.571 810 2HB ARG 27 1HB ARG 27 -11.858 -11.545 -0.165 811 1HG ARG 27 2HG ARG 27 -13.278 -9.610 0.197 812 2HG ARG 27 1HG ARG 27 -11.568 -9.170 0.220 813 1HD ARG 27 2HD ARG 27 -12.616 -7.531 -1.076 814 2HD ARG 27 1HD ARG 27 -11.827 -8.591 -2.230 815 HE ARG 27 HE ARG 27 -14.623 -9.157 -1.653 816 1HH1 ARG 27 1HH1 ARG 27 -12.318 -7.588 -3.771 817 2HH1 ARG 27 2HH1 ARG 27 -13.406 -7.538 -5.122 818 1HH2 ARG 27 1HH2 ARG 27 -16.070 -9.061 -3.433 819 2HH2 ARG 27 2HH2 ARG 27 -15.533 -8.359 -4.935 820 H VAL 28 H VAL 28 -9.479 -8.810 -2.183 821 HA VAL 28 HA VAL 28 -7.725 -9.138 0.129 822 HB VAL 28 HB VAL 28 -5.719 -8.661 -1.292 823 1HG1 VAL 28 1HG1 VAL 28 -7.194 -11.209 -1.966 824 2HG1 VAL 28 2HG1 VAL 28 -6.180 -10.940 -0.548 825 3HG1 VAL 28 3HG1 VAL 28 -5.461 -10.940 -2.157 826 1HG2 VAL 28 1HG2 VAL 28 -5.873 -9.074 -3.711 827 2HG2 VAL 28 2HG2 VAL 28 -6.855 -7.696 -3.214 828 3HG2 VAL 28 3HG2 VAL 28 -7.621 -9.245 -3.561 829 H LYS 29 H LYS 29 -6.552 -7.183 0.662 830 HA LYS 29 HA LYS 29 -7.588 -4.755 -0.635 831 1HB LYS 29 2HB LYS 29 -6.885 -5.243 2.256 832 2HB LYS 29 1HB LYS 29 -7.131 -3.651 1.577 833 1HG LYS 29 2HG LYS 29 -9.438 -4.466 0.885 834 2HG LYS 29 1HG LYS 29 -9.138 -5.842 1.952 835 1HD LYS 29 2HD LYS 29 -8.667 -4.199 3.788 836 2HD LYS 29 1HD LYS 29 -9.201 -2.920 2.698 837 1HE LYS 29 2HE LYS 29 -11.033 -3.498 4.119 838 2HE LYS 29 1HE LYS 29 -11.387 -4.088 2.494 839 1HZ LYS 29 1HZ LYS 29 -11.873 -5.659 4.396 840 2HZ LYS 29 2HZ LYS 29 -10.190 -5.825 4.582 841 3HZ LYS 29 3HZ LYS 29 -10.944 -6.286 3.128 842 H ILE 30 H ILE 30 -6.068 -3.097 -0.956 843 HA ILE 30 HA ILE 30 -3.270 -4.055 -0.834 844 HB ILE 30 HB ILE 30 -3.936 -1.737 -2.528 845 1HG1 ILE 30 2HG1 ILE 30 -5.741 -3.443 -3.035 846 2HG1 ILE 30 1HG1 ILE 30 -4.714 -3.032 -4.402 847 1HG2 ILE 30 1HG2 ILE 30 -1.670 -2.478 -2.275 848 2HG2 ILE 30 2HG2 ILE 30 -2.196 -2.761 -3.934 849 3HG2 ILE 30 3HG2 ILE 30 -2.108 -4.105 -2.796 850 1HD1 ILE 30 1HD1 ILE 30 -4.446 -5.478 -2.686 851 2HD1 ILE 30 2HD1 ILE 30 -3.445 -5.074 -4.080 852 3HD1 ILE 30 3HD1 ILE 30 -5.165 -5.413 -4.295 853 H LYS 31 H LYS 31 -1.909 -3.002 0.321 854 HA LYS 31 HA LYS 31 -2.446 -0.207 1.001 855 1HB LYS 31 2HB LYS 31 -1.591 -2.464 2.652 856 2HB LYS 31 1HB LYS 31 -0.579 -1.034 2.829 857 1HG LYS 31 2HG LYS 31 -2.298 0.257 3.628 858 2HG LYS 31 1HG LYS 31 -3.538 -0.774 2.913 859 1HD LYS 31 2HD LYS 31 -1.743 -1.659 5.156 860 2HD LYS 31 1HD LYS 31 -3.313 -0.901 5.383 861 1HE LYS 31 2HE LYS 31 -4.363 -2.687 4.061 862 2HE LYS 31 1HE LYS 31 -2.786 -3.458 3.887 863 1HZ LYS 31 1HZ LYS 31 -4.107 -2.943 6.500 864 2HZ LYS 31 2HZ LYS 31 -2.702 -3.860 6.223 865 3HZ LYS 31 3HZ LYS 31 -4.202 -4.410 5.659 866 H LEU 32 H LEU 32 -0.875 1.236 0.662 867 HA LEU 32 HA LEU 32 1.203 0.313 -1.168 868 1HB LEU 32 2HB LEU 32 1.439 2.945 -1.399 869 2HB LEU 32 1HB LEU 32 0.258 2.023 -2.303 870 HG LEU 32 HG LEU 32 -0.454 3.322 0.310 871 1HD1 LEU 32 1HD1 LEU 32 -1.238 5.242 -0.939 872 2HD1 LEU 32 2HD1 LEU 32 -0.659 4.522 -2.442 873 3HD1 LEU 32 3HD1 LEU 32 0.493 5.023 -1.200 874 1HD2 LEU 32 1HD2 LEU 32 -2.015 1.642 -0.625 875 2HD2 LEU 32 2HD2 LEU 32 -2.098 2.577 -2.117 876 3HD2 LEU 32 3HD2 LEU 32 -2.710 3.261 -0.611 877 H GLU 33 H GLU 33 3.209 0.060 -0.470 878 HA GLU 33 HA GLU 33 3.725 1.087 2.223 879 1HB GLU 33 2HB GLU 33 4.141 -1.620 1.064 880 2HB GLU 33 1HB GLU 33 4.930 -1.107 2.519 881 1HG GLU 33 2HG GLU 33 1.955 -1.025 2.236 882 2HG GLU 33 1HG GLU 33 2.807 -2.476 2.764 883 H LEU 34 H LEU 34 5.472 2.054 2.510 884 HA LEU 34 HA LEU 34 7.896 0.691 1.813 885 1HB LEU 34 2HB LEU 34 7.447 3.598 1.215 886 2HB LEU 34 1HB LEU 34 9.039 2.967 1.538 887 HG LEU 34 HG LEU 34 7.357 1.744 -0.590 888 1HD1 LEU 34 1HD1 LEU 34 9.158 4.141 -0.941 889 2HD1 LEU 34 2HD1 LEU 34 7.399 4.154 -1.064 890 3HD1 LEU 34 3HD1 LEU 34 8.359 3.247 -2.236 891 1HD2 LEU 34 1HD2 LEU 34 10.321 1.994 -0.161 892 2HD2 LEU 34 2HD2 LEU 34 9.559 1.219 -1.549 893 3HD2 LEU 34 3HD2 LEU 34 9.337 0.547 0.067 894 H LYS 35 H LYS 35 9.398 0.941 3.437 895 HA LYS 35 HA LYS 35 8.747 2.581 5.718 896 1HB LYS 35 2HB LYS 35 8.192 -0.312 5.556 897 2HB LYS 35 1HB LYS 35 8.943 0.251 7.029 898 1HG LYS 35 2HG LYS 35 7.134 1.755 7.470 899 2HG LYS 35 1HG LYS 35 6.443 1.463 5.875 900 1HD LYS 35 2HD LYS 35 6.039 -0.883 6.509 901 2HD LYS 35 1HD LYS 35 6.674 -0.539 8.119 902 1HE LYS 35 2HE LYS 35 4.244 -0.480 8.136 903 2HE LYS 35 1HE LYS 35 4.903 1.121 8.459 904 1HZ LYS 35 1HZ LYS 35 3.903 0.196 5.811 905 2HZ LYS 35 2HZ LYS 35 4.439 1.764 6.193 906 3HZ LYS 35 3HZ LYS 35 3.027 1.158 6.898 907 H VAL 36 H VAL 36 10.243 1.932 7.598 908 HA VAL 36 HA VAL 36 12.225 1.570 8.566 909 HB VAL 36 HB VAL 36 12.662 -0.103 6.136 910 1HG1 VAL 36 1HG1 VAL 36 14.301 -0.026 8.660 911 2HG1 VAL 36 2HG1 VAL 36 14.829 0.496 7.061 912 3HG1 VAL 36 3HG1 VAL 36 14.482 -1.206 7.362 913 1HG2 VAL 36 1HG2 VAL 36 10.821 -0.864 7.495 914 2HG2 VAL 36 2HG2 VAL 36 11.832 -0.813 8.939 915 3HG2 VAL 36 3HG2 VAL 36 12.178 -1.981 7.663 916 H GLU 37 H GLU 37 14.196 2.472 8.715 917 HA GLU 37 HA GLU 37 15.101 4.113 6.482 918 1HB GLU 37 2HB GLU 37 15.967 5.599 8.353 919 2HB GLU 37 1HB GLU 37 14.237 5.608 8.080 920 1HG GLU 37 2HG GLU 37 14.162 3.828 9.925 921 2HG GLU 37 1HG GLU 37 15.800 4.357 10.297 922 HA PRO 38 HA PRO 38 18.880 1.826 6.989 923 1HB PRO 38 2HB PRO 38 20.534 3.400 5.530 924 2HB PRO 38 1HB PRO 38 19.309 2.364 4.785 925 1HG PRO 38 2HG PRO 38 19.225 5.300 5.340 926 2HG PRO 38 1HG PRO 38 18.672 4.414 3.907 927 1HD PRO 38 2HD PRO 38 16.996 5.284 5.875 928 2HD PRO 38 1HD PRO 38 16.671 3.855 4.875 929 H ILE 39 H ILE 39 21.230 2.316 7.589 930 HA ILE 39 HA ILE 39 21.152 3.867 10.006 931 HB ILE 39 HB ILE 39 23.620 3.059 10.130 932 1HG1 ILE 39 2HG1 ILE 39 23.819 0.755 9.042 933 2HG1 ILE 39 1HG1 ILE 39 22.504 1.242 7.986 934 1HG2 ILE 39 1HG2 ILE 39 21.853 2.339 11.608 935 2HG2 ILE 39 2HG2 ILE 39 22.858 0.965 11.155 936 3HG2 ILE 39 3HG2 ILE 39 21.279 1.186 10.403 937 1HD1 ILE 39 1HD1 ILE 39 23.893 3.112 7.186 938 2HD1 ILE 39 2HD1 ILE 39 24.621 1.535 6.885 939 3HD1 ILE 39 3HD1 ILE 39 25.212 2.540 8.210 940 H ASP 40 H ASP 40 22.151 5.755 10.428 941 HA ASP 40 HA ASP 40 23.526 7.053 8.163 942 1HB ASP 40 2HB ASP 40 21.532 8.251 8.959 943 2HB ASP 40 1HB ASP 40 22.198 8.290 10.588 944 H LEU 41 H LEU 41 25.634 7.191 8.295 945 HA LEU 41 HA LEU 41 26.880 7.492 10.927 946 1HB LEU 41 2HB LEU 41 27.724 5.551 8.774 947 2HB LEU 41 1HB LEU 41 28.720 5.972 10.155 948 HG LEU 41 HG LEU 41 26.018 4.620 10.301 949 1HD1 LEU 41 1HD1 LEU 41 27.714 3.148 9.374 950 2HD1 LEU 41 2HD1 LEU 41 27.289 2.653 11.011 951 3HD1 LEU 41 3HD1 LEU 41 28.796 3.522 10.718 952 1HD2 LEU 41 1HD2 LEU 41 28.034 5.267 12.453 953 2HD2 LEU 41 2HD2 LEU 41 26.576 4.299 12.671 954 3HD2 LEU 41 3HD2 LEU 41 26.446 6.007 12.251 955 H GLY 42 H GLY 42 29.272 8.095 10.636 956 1HA GLY 42 2HA GLY 42 29.535 9.904 8.326 957 2HA GLY 42 1HA GLY 42 29.880 10.456 9.957 958 H GLU 43 H GLU 43 31.212 9.363 7.224 959 HA GLU 43 HA GLU 43 33.166 7.535 7.838 960 1HB GLU 43 2HB GLU 43 33.540 9.905 6.018 961 2HB GLU 43 1HB GLU 43 34.399 8.380 5.947 962 1HG GLU 43 2HG GLU 43 32.894 8.122 4.252 963 2HG GLU 43 1HG GLU 43 32.020 7.381 5.591 964 HA PRO 44 HA PRO 44 35.952 9.465 10.719 965 1HB PRO 44 2HB PRO 44 38.023 7.894 9.283 966 2HB PRO 44 1HB PRO 44 37.615 7.918 11.001 967 1HG PRO 44 2HG PRO 44 36.921 5.848 9.467 968 2HG PRO 44 1HG PRO 44 35.847 6.443 10.747 969 1HD PRO 44 2HD PRO 44 35.684 6.854 7.791 970 2HD PRO 44 1HD PRO 44 34.382 6.579 8.967 971 H VAL 45 H VAL 45 36.929 11.385 10.614 972 HA VAL 45 HA VAL 45 37.354 12.705 8.149 973 HB VAL 45 HB VAL 45 38.607 13.556 10.748 974 1HG1 VAL 45 1HG1 VAL 45 39.237 14.868 8.806 975 2HG1 VAL 45 2HG1 VAL 45 38.197 15.822 9.862 976 3HG1 VAL 45 3HG1 VAL 45 37.540 15.108 8.389 977 1HG2 VAL 45 1HG2 VAL 45 35.751 14.023 9.886 978 2HG2 VAL 45 2HG2 VAL 45 36.529 14.711 11.310 979 3HG2 VAL 45 3HG2 VAL 45 36.271 12.972 11.201 980 H SER 46 H SER 46 39.325 13.464 7.251 981 HA SER 46 HA SER 46 41.451 11.510 7.477 982 1HB SER 46 2HB SER 46 41.057 13.704 5.433 983 2HB SER 46 1HB SER 46 42.177 12.355 5.327 984 HG SER 46 HG SER 46 40.543 10.978 4.973 985 H VAL 47 H VAL 47 43.694 12.409 7.111 986 HA VAL 47 HA VAL 47 44.083 14.843 8.737 987 HB VAL 47 HB VAL 47 45.961 12.480 8.504 988 1HG1 VAL 47 1HG1 VAL 47 46.085 14.938 10.247 989 2HG1 VAL 47 2HG1 VAL 47 47.141 14.571 8.882 990 3HG1 VAL 47 3HG1 VAL 47 47.189 13.567 10.333 991 1HG2 VAL 47 1HG2 VAL 47 45.363 12.018 10.857 992 2HG2 VAL 47 2HG2 VAL 47 43.978 11.867 9.774 993 3HG2 VAL 47 3HG2 VAL 47 44.154 13.302 10.780 994 H GLU 48 H GLU 48 45.294 16.437 7.856 995 HA GLU 48 HA GLU 48 45.848 16.297 5.062 996 1HB GLU 48 2HB GLU 48 46.680 18.442 7.003 997 2HB GLU 48 1HB GLU 48 46.595 18.588 5.258 998 1HG GLU 48 2HG GLU 48 44.264 18.167 7.112 999 2HG GLU 48 1HG GLU 48 44.703 19.676 6.312 1000 H GLU 49 H GLU 49 47.544 15.513 4.160 1001 HA GLU 49 HA GLU 49 49.904 14.789 5.625 1002 1HB GLU 49 2HB GLU 49 48.929 13.427 3.764 1003 2HB GLU 49 1HB GLU 49 49.417 14.690 2.642 1004 1HG GLU 49 2HG GLU 49 51.757 14.319 3.243 1005 2HG GLU 49 1HG GLU 49 51.266 13.061 4.375 1006 H ILE 50 H ILE 50 48.860 17.473 3.815 1007 HA ILE 50 HA ILE 50 51.271 18.328 2.657 1008 HB ILE 50 HB ILE 50 48.950 20.090 3.427 1009 1HG1 ILE 50 2HG1 ILE 50 49.332 18.472 0.896 1010 2HG1 ILE 50 1HG1 ILE 50 48.196 18.078 2.184 1011 1HG2 ILE 50 1HG2 ILE 50 49.650 21.432 1.503 1012 2HG2 ILE 50 2HG2 ILE 50 50.997 20.331 1.219 1013 3HG2 ILE 50 3HG2 ILE 50 50.944 21.297 2.695 1014 1HD1 ILE 50 1HD1 ILE 50 47.007 20.176 1.750 1015 2HD1 ILE 50 2HD1 ILE 50 47.071 19.144 0.323 1016 3HD1 ILE 50 3HD1 ILE 50 48.142 20.540 0.451 1017 H LYS 51 H LYS 51 50.252 18.452 5.894 1018 HA LYS 51 HA LYS 51 51.850 20.728 6.635 1019 1HB LYS 51 2HB LYS 51 49.922 19.118 7.916 1020 2HB LYS 51 1HB LYS 51 51.396 18.943 8.845 1021 1HG LYS 51 2HG LYS 51 50.233 21.604 8.076 1022 2HG LYS 51 1HG LYS 51 49.861 20.777 9.589 1023 1HD LYS 51 2HD LYS 51 52.094 20.938 10.341 1024 2HD LYS 51 1HD LYS 51 52.679 21.381 8.736 1025 1HE LYS 51 2HE LYS 51 52.578 23.289 10.321 1026 2HE LYS 51 1HE LYS 51 51.612 23.521 8.866 1027 1HZ LYS 51 1HZ LYS 51 49.632 23.058 10.068 1028 2HZ LYS 51 2HZ LYS 51 50.508 24.205 10.958 1029 3HZ LYS 51 3HZ LYS 51 50.491 22.581 11.452 1030 H LYS 52 H LYS 52 53.947 20.720 7.364 1031 HA LYS 52 HA LYS 52 55.465 18.265 7.393 1032 1HB LYS 52 2HB LYS 52 54.883 18.608 4.998 1033 2HB LYS 52 1HB LYS 52 55.716 20.151 5.049 1034 1HG LYS 52 2HG LYS 52 57.802 18.915 5.647 1035 2HG LYS 52 1HG LYS 52 56.919 17.416 5.345 1036 1HD LYS 52 2HD LYS 52 56.395 18.290 3.059 1037 2HD LYS 52 1HD LYS 52 57.494 19.629 3.386 1038 1HE LYS 52 2HE LYS 52 58.706 17.998 2.159 1039 2HE LYS 52 1HE LYS 52 59.282 17.944 3.825 1040 1HZ LYS 52 1HZ LYS 52 57.357 16.055 2.567 1041 2HZ LYS 52 2HZ LYS 52 57.834 16.014 4.195 1042 3HZ LYS 52 3HZ LYS 52 58.969 15.730 2.970 1043 H ILE 53 H ILE 53 57.433 18.533 8.271 1044 HA ILE 53 HA ILE 53 59.359 19.412 9.013 1045 HB ILE 53 HB ILE 53 58.519 21.669 7.238 1046 1HG1 ILE 53 2HG1 ILE 53 60.711 19.604 7.003 1047 2HG1 ILE 53 1HG1 ILE 53 59.153 19.536 6.188 1048 1HG2 ILE 53 1HG2 ILE 53 61.126 21.408 8.732 1049 2HG2 ILE 53 2HG2 ILE 53 59.886 22.626 9.018 1050 3HG2 ILE 53 3HG2 ILE 53 60.773 22.615 7.495 1051 1HD1 ILE 53 1HD1 ILE 53 61.235 21.670 5.787 1052 2HD1 ILE 53 2HD1 ILE 53 59.696 21.536 4.933 1053 3HD1 ILE 53 3HD1 ILE 53 60.939 20.304 4.709 1054 H ARG 54 H ARG 54 59.378 19.694 11.088 1055 HA ARG 54 HA ARG 54 57.839 21.860 12.330 1056 1HB ARG 54 2HB ARG 54 57.831 19.371 13.086 1057 2HB ARG 54 1HB ARG 54 59.400 19.734 13.786 1058 1HG ARG 54 2HG ARG 54 58.395 21.466 15.175 1059 2HG ARG 54 1HG ARG 54 56.817 21.124 14.461 1060 1HD ARG 54 2HD ARG 54 58.501 19.288 16.156 1061 2HD ARG 54 1HD ARG 54 56.937 19.992 16.566 1062 HE ARG 54 HE ARG 54 57.107 18.194 14.258 1063 1HH1 ARG 54 1HH1 ARG 54 56.010 18.784 17.541 1064 2HH1 ARG 54 2HH1 ARG 54 54.940 17.414 17.549 1065 1HH2 ARG 54 1HH2 ARG 54 55.695 16.408 14.279 1066 2HH2 ARG 54 2HH2 ARG 54 54.772 16.063 15.710 1067 H ASP 55 H ASP 55 60.471 21.965 10.799 1068 HA ASP 55 HA ASP 55 62.437 22.770 12.767 1069 1HB ASP 55 2HB ASP 55 62.972 21.564 10.599 1070 2HB ASP 55 1HB ASP 55 62.575 23.054 9.755 1071 H GLY 56 H GLY 56 63.630 24.951 12.134 1072 1HA GLY 56 2HA GLY 56 62.614 27.150 11.001 1073 2HA GLY 56 1HA GLY 56 61.618 27.023 12.445 1074 H THR 57 H THR 57 65.073 26.822 11.560 1075 HA THR 57 HA THR 57 65.713 28.918 13.422 1076 HB THR 57 HB THR 57 65.579 26.965 14.934 1077 HG1 THR 57 HG1 THR 57 68.057 27.097 15.442 1078 1HG2 THR 57 1HG2 THR 57 67.225 25.153 14.749 1079 2HG2 THR 57 2HG2 THR 57 67.794 25.828 13.222 1080 3HG2 THR 57 3HG2 THR 57 66.152 25.195 13.350 1081 H TRP 58 H TRP 58 68.101 29.374 13.399 1082 HA TRP 58 HA TRP 58 69.417 28.414 10.946 1083 1HB TRP 58 2HB TRP 58 68.393 30.658 10.543 1084 2HB TRP 58 1HB TRP 58 69.349 31.305 11.869 1085 HD1 TRP 58 HD1 TRP 58 69.829 29.783 8.348 1086 HE1 TRP 58 HE1 TRP 58 72.039 30.681 7.382 1087 HE3 TRP 58 HE3 TRP 58 71.507 32.380 12.425 1088 HZ2 TRP 58 HZ2 TRP 58 74.197 32.276 8.232 1089 HZ3 TRP 58 HZ3 TRP 58 73.658 33.564 12.258 1090 HH2 TRP 58 HH2 TRP 58 74.976 33.512 10.205 1091 H MET 59 H MET 59 71.585 28.012 11.169 1092 HA MET 59 HA MET 59 72.646 28.360 13.895 1093 1HB MET 59 2HB MET 59 74.096 26.457 13.444 1094 2HB MET 59 1HB MET 59 72.418 26.028 13.154 1095 1HG MET 59 2HG MET 59 72.768 26.310 10.748 1096 2HG MET 59 1HG MET 59 74.455 26.714 11.047 1097 1HE MET 59 1HE MET 59 72.241 23.996 12.858 1098 2HE MET 59 2HE MET 59 72.579 22.578 11.863 1099 3HE MET 59 3HE MET 59 71.705 23.947 11.177 1100 H SER 60 H SER 60 74.938 28.742 14.119 1101 HA SER 60 HA SER 60 75.809 30.912 12.506 1102 1HB SER 60 2HB SER 60 77.526 29.368 14.439 1103 2HB SER 60 1HB SER 60 77.607 31.082 14.028 1104 HG SER 60 HG SER 60 75.724 31.445 15.160 1105 H SER 61 H SER 61 78.208 30.913 11.703 1106 HA SER 61 HA SER 61 78.464 28.667 9.869 1107 1HB SER 61 2HB SER 61 80.174 31.154 10.040 1108 2HB SER 61 1HB SER 61 80.062 30.030 8.683 1109 HG SER 61 HG SER 61 77.950 30.700 8.327 1110 H LEU 62 H LEU 62 79.532 29.438 12.881 1111 HA LEU 62 HA LEU 62 81.087 28.679 14.311 1112 1HB LEU 62 2HB LEU 62 79.812 26.611 13.281 1113 2HB LEU 62 1HB LEU 62 81.406 26.233 12.644 1114 HG LEU 62 HG LEU 62 82.169 26.595 15.092 1115 1HD1 LEU 62 1HD1 LEU 62 80.076 27.461 15.943 1116 2HD1 LEU 62 2HD1 LEU 62 80.486 25.944 16.745 1117 3HD1 LEU 62 3HD1 LEU 62 79.255 25.970 15.483 1118 1HD2 LEU 62 1HD2 LEU 62 81.790 24.213 15.562 1119 2HD2 LEU 62 2HD2 LEU 62 82.309 24.474 13.894 1120 3HD2 LEU 62 3HD2 LEU 62 80.611 24.155 14.249 1121 H GLU 63 H GLU 63 82.185 30.241 12.078 1122 HA GLU 63 HA GLU 63 84.874 29.047 12.028 1123 1HB GLU 63 2HB GLU 63 83.706 28.914 9.806 1124 2HB GLU 63 1HB GLU 63 83.672 30.670 9.772 1125 1HG GLU 63 2HG GLU 63 86.320 29.521 10.256 1126 2HG GLU 63 1HG GLU 63 85.620 29.120 8.690 1127 H HIS 64 H HIS 64 86.424 30.260 12.801 1128 HA HIS 64 HA HIS 64 86.128 33.191 12.782 1129 1HB HIS 64 2HB HIS 64 86.900 31.438 15.108 1130 2HB HIS 64 1HB HIS 64 87.431 33.112 15.014 1131 HD1 HIS 64 HD1 HIS 64 85.813 34.875 15.745 1132 HD2 HIS 64 HD2 HIS 64 84.025 31.142 15.303 1133 HE1 HIS 64 HE1 HIS 64 83.494 35.111 16.704 1134 HE2 HIS 64 HE2 HIS 64 82.490 32.803 16.565 1135 H HIS 65 H HIS 65 87.503 33.147 10.924 1136 HA HIS 65 HA HIS 65 90.152 32.093 11.149 1137 1HB HIS 65 2HB HIS 65 90.591 33.312 9.007 1138 2HB HIS 65 1HB HIS 65 89.238 32.197 8.945 1139 HD1 HIS 65 HD1 HIS 65 86.829 33.266 8.802 1140 HD2 HIS 65 HD2 HIS 65 89.986 35.959 8.446 1141 HE1 HIS 65 HE1 HIS 65 85.828 35.370 7.853 1142 HE2 HIS 65 HE2 HIS 65 87.780 36.919 7.477 1143 H HIS 66 H HIS 66 90.628 33.066 13.187 1144 HA HIS 66 HA HIS 66 91.402 35.890 13.059 1145 1HB HIS 66 2HB HIS 66 89.923 35.324 14.920 1146 2HB HIS 66 1HB HIS 66 91.013 34.040 15.428 1147 HD1 HIS 66 HD1 HIS 66 92.365 34.667 17.372 1148 HD2 HIS 66 HD2 HIS 66 91.461 37.974 15.013 1149 HE1 HIS 66 HE1 HIS 66 93.399 36.641 18.544 1150 HE2 HIS 66 HE2 HIS 66 92.790 38.643 17.135 1151 H HIS 67 H HIS 67 93.448 36.203 12.494 1152 HA HIS 67 HA HIS 67 95.486 34.343 13.500 1153 1HB HIS 67 2HB HIS 67 96.702 34.507 11.375 1154 2HB HIS 67 1HB HIS 67 95.101 33.820 11.147 1155 HD1 HIS 67 HD1 HIS 67 96.978 35.334 9.001 1156 HD2 HIS 67 HD2 HIS 67 93.553 36.806 10.847 1157 HE1 HIS 67 HE1 HIS 67 96.097 37.131 7.475 1158 HE2 HIS 67 HE2 HIS 67 93.930 37.884 8.527 1159 H HIS 68 H HIS 68 97.442 35.227 14.089 1160 HA HIS 68 HA HIS 68 97.351 38.146 14.455 1161 1HB HIS 68 2HB HIS 68 97.377 36.766 16.520 1162 2HB HIS 68 1HB HIS 68 98.903 36.053 16.011 1163 HD1 HIS 68 HD1 HIS 68 101.035 37.370 16.500 1164 HD2 HIS 68 HD2 HIS 68 97.555 39.503 17.318 1165 HE1 HIS 68 HE1 HIS 68 101.774 39.425 17.749 1166 HE2 HIS 68 HE2 HIS 68 99.670 40.769 18.106 1167 H HIS 69 H HIS 69 99.002 39.415 13.702 1168 HA HIS 69 HA HIS 69 101.160 38.067 12.270 1169 1HB HIS 69 2HB HIS 69 101.691 40.398 11.401 1170 2HB HIS 69 1HB HIS 69 100.162 39.708 10.882 1171 HD1 HIS 69 HD1 HIS 69 101.332 42.018 13.679 1172 HD2 HIS 69 HD2 HIS 69 98.154 41.505 11.050 1173 HE1 HIS 69 HE1 HIS 69 99.814 43.996 14.053 1174 HE2 HIS 69 HE2 HIS 69 98.053 43.793 12.266 Start of MODEL 19 1 1H MET 1 1H MET 1 1.812 1.566 5.971 2 2H MET 1 2H MET 1 0.960 2.616 6.999 3 3H MET 1 3H MET 1 1.914 3.240 5.742 4 HA MET 1 HA MET 1 0.485 2.432 4.088 5 1HB MET 1 2HB MET 1 -1.625 1.182 4.791 6 2HB MET 1 1HB MET 1 -0.117 0.283 4.863 7 1HG MET 1 2HG MET 1 -0.006 0.588 7.257 8 2HG MET 1 1HG MET 1 -1.445 1.602 7.223 9 1HE MET 1 1HE MET 1 -3.395 0.227 5.306 10 2HE MET 1 2HE MET 1 -3.882 0.733 6.924 11 3HE MET 1 3HE MET 1 -4.271 -0.890 6.348 12 HA PRO 2 HA PRO 2 -1.559 6.267 5.315 13 1HB PRO 2 2HB PRO 2 -1.808 6.657 2.426 14 2HB PRO 2 1HB PRO 2 -0.951 7.639 3.616 15 1HG PRO 2 2HG PRO 2 0.344 6.156 1.771 16 2HG PRO 2 1HG PRO 2 1.001 6.443 3.393 17 1HD PRO 2 2HD PRO 2 -0.418 4.028 2.325 18 2HD PRO 2 1HD PRO 2 1.021 4.119 3.364 19 H LYS 3 H LYS 3 -2.635 4.126 2.680 20 HA LYS 3 HA LYS 3 -5.361 4.252 3.683 21 1HB LYS 3 2HB LYS 3 -6.336 4.862 1.551 22 2HB LYS 3 1HB LYS 3 -5.199 6.112 2.030 23 1HG LYS 3 2HG LYS 3 -3.607 5.423 0.440 24 2HG LYS 3 1HG LYS 3 -4.421 3.884 0.173 25 1HD LYS 3 2HD LYS 3 -4.928 5.191 -1.712 26 2HD LYS 3 1HD LYS 3 -6.375 5.246 -0.706 27 1HE LYS 3 2HE LYS 3 -5.689 7.435 0.153 28 2HE LYS 3 1HE LYS 3 -4.245 7.375 -0.861 29 1HZ LYS 3 1HZ LYS 3 -5.429 8.260 -2.496 30 2HZ LYS 3 2HZ LYS 3 -6.837 8.235 -1.548 31 3HZ LYS 3 3HZ LYS 3 -6.439 6.895 -2.511 32 H ILE 4 H ILE 4 -6.702 2.549 2.809 33 HA ILE 4 HA ILE 4 -5.254 0.480 1.362 34 HB ILE 4 HB ILE 4 -6.893 -1.069 2.060 35 1HG1 ILE 4 2HG1 ILE 4 -8.879 0.384 1.929 36 2HG1 ILE 4 1HG1 ILE 4 -8.815 -0.570 3.390 37 1HG2 ILE 4 1HG2 ILE 4 -5.137 -0.667 3.647 38 2HG2 ILE 4 2HG2 ILE 4 -6.642 -1.060 4.481 39 3HG2 ILE 4 3HG2 ILE 4 -6.088 0.613 4.398 40 1HD1 ILE 4 1HD1 ILE 4 -9.553 1.503 4.107 41 2HD1 ILE 4 2HD1 ILE 4 -8.422 2.365 3.072 42 3HD1 ILE 4 3HD1 ILE 4 -7.832 1.510 4.500 43 H ILE 5 H ILE 5 -6.002 -0.243 -0.590 44 HA ILE 5 HA ILE 5 -8.538 0.911 -1.573 45 HB ILE 5 HB ILE 5 -6.326 -0.106 -3.352 46 1HG1 ILE 5 2HG1 ILE 5 -6.855 2.767 -2.568 47 2HG1 ILE 5 1HG1 ILE 5 -5.472 1.812 -2.047 48 1HG2 ILE 5 1HG2 ILE 5 -8.502 -0.053 -4.379 49 2HG2 ILE 5 2HG2 ILE 5 -7.501 1.229 -5.063 50 3HG2 ILE 5 3HG2 ILE 5 -8.736 1.620 -3.866 51 1HD1 ILE 5 1HD1 ILE 5 -6.102 2.582 -4.886 52 2HD1 ILE 5 2HD1 ILE 5 -4.701 1.658 -4.347 53 3HD1 ILE 5 3HD1 ILE 5 -4.893 3.339 -3.851 54 H GLU 6 H GLU 6 -9.858 -0.623 -2.792 55 HA GLU 6 HA GLU 6 -9.277 -3.353 -1.934 56 1HB GLU 6 2HB GLU 6 -11.915 -2.014 -2.531 57 2HB GLU 6 1HB GLU 6 -11.736 -3.728 -2.192 58 1HG GLU 6 2HG GLU 6 -12.207 -3.049 -0.087 59 2HG GLU 6 1HG GLU 6 -10.475 -2.755 -0.054 60 H ALA 7 H ALA 7 -9.188 -4.990 -3.345 61 HA ALA 7 HA ALA 7 -9.763 -4.513 -6.189 62 1HB ALA 7 1HB ALA 7 -7.086 -5.397 -5.101 63 2HB ALA 7 2HB ALA 7 -7.443 -3.862 -5.894 64 3HB ALA 7 3HB ALA 7 -7.539 -5.368 -6.806 65 H VAL 8 H VAL 8 -9.635 -6.553 -7.432 66 HA VAL 8 HA VAL 8 -10.023 -8.931 -5.779 67 HB VAL 8 HB VAL 8 -11.341 -9.795 -7.744 68 1HG1 VAL 8 1HG1 VAL 8 -12.440 -7.380 -6.326 69 2HG1 VAL 8 2HG1 VAL 8 -12.413 -9.026 -5.695 70 3HG1 VAL 8 3HG1 VAL 8 -13.390 -8.641 -7.111 71 1HG2 VAL 8 1HG2 VAL 8 -11.338 -6.899 -8.556 72 2HG2 VAL 8 2HG2 VAL 8 -12.320 -8.174 -9.277 73 3HG2 VAL 8 3HG2 VAL 8 -10.563 -8.219 -9.430 74 H TYR 9 H TYR 9 -8.642 -10.508 -6.059 75 HA TYR 9 HA TYR 9 -6.646 -10.381 -8.217 76 1HB TYR 9 2HB TYR 9 -5.834 -10.803 -5.953 77 2HB TYR 9 1HB TYR 9 -6.919 -12.177 -5.773 78 HD1 TYR 9 HD1 TYR 9 -3.902 -10.952 -7.539 79 HD2 TYR 9 HD2 TYR 9 -6.327 -14.319 -6.594 80 HE1 TYR 9 HE1 TYR 9 -2.150 -12.447 -8.386 81 HE2 TYR 9 HE2 TYR 9 -4.578 -15.817 -7.442 82 HH TYR 9 HH TYR 9 -1.433 -14.801 -8.060 83 H GLU 10 H GLU 10 -7.425 -11.004 -9.987 84 HA GLU 10 HA GLU 10 -8.617 -13.622 -10.262 85 1HB GLU 10 2HB GLU 10 -8.721 -13.028 -12.704 86 2HB GLU 10 1HB GLU 10 -9.727 -12.056 -11.649 87 1HG GLU 10 2HG GLU 10 -8.085 -10.266 -11.729 88 2HG GLU 10 1HG GLU 10 -7.064 -11.251 -12.782 89 H ASN 11 H ASN 11 -7.360 -14.178 -12.796 90 HA ASN 11 HA ASN 11 -5.708 -16.079 -11.572 91 1HB ASN 11 2HB ASN 11 -6.918 -15.546 -14.057 92 2HB ASN 11 1HB ASN 11 -5.219 -15.871 -14.360 93 1HD2 ASN 11 1HD2 ASN 11 -4.356 -17.883 -13.815 94 2HD2 ASN 11 2HD2 ASN 11 -5.360 -19.259 -13.552 95 H GLY 12 H GLY 12 -4.437 -14.205 -10.652 96 1HA GLY 12 2HA GLY 12 -2.007 -14.092 -10.448 97 2HA GLY 12 1HA GLY 12 -1.914 -14.054 -12.207 98 H VAL 13 H VAL 13 -4.562 -12.303 -11.320 99 HA VAL 13 HA VAL 13 -2.980 -9.806 -11.632 100 HB VAL 13 HB VAL 13 -5.872 -9.951 -12.286 101 1HG1 VAL 13 1HG1 VAL 13 -3.547 -8.433 -13.472 102 2HG1 VAL 13 2HG1 VAL 13 -4.777 -7.806 -12.374 103 3HG1 VAL 13 3HG1 VAL 13 -5.223 -8.299 -14.006 104 1HG2 VAL 13 1HG2 VAL 13 -4.961 -11.930 -13.401 105 2HG2 VAL 13 2HG2 VAL 13 -3.716 -10.939 -14.165 106 3HG2 VAL 13 3HG2 VAL 13 -5.413 -10.696 -14.580 107 H PHE 14 H PHE 14 -3.362 -8.150 -10.196 108 HA PHE 14 HA PHE 14 -5.723 -8.405 -8.464 109 1HB PHE 14 2HB PHE 14 -3.157 -6.854 -8.130 110 2HB PHE 14 1HB PHE 14 -4.582 -6.506 -7.176 111 HD1 PHE 14 HD1 PHE 14 -5.532 -8.358 -5.733 112 HD2 PHE 14 HD2 PHE 14 -1.666 -8.539 -7.498 113 HE1 PHE 14 HE1 PHE 14 -4.865 -10.057 -4.091 114 HE2 PHE 14 HE2 PHE 14 -0.992 -10.241 -5.851 115 HZ PHE 14 HZ PHE 14 -2.598 -11.004 -4.142 116 H LYS 15 H LYS 15 -7.396 -7.285 -9.164 117 HA LYS 15 HA LYS 15 -6.909 -4.788 -10.642 118 1HB LYS 15 2HB LYS 15 -8.958 -6.950 -11.059 119 2HB LYS 15 1HB LYS 15 -9.177 -5.326 -11.686 120 1HG LYS 15 2HG LYS 15 -7.163 -5.517 -12.992 121 2HG LYS 15 1HG LYS 15 -6.846 -7.113 -12.307 122 1HD LYS 15 2HD LYS 15 -8.952 -7.923 -13.288 123 2HD LYS 15 1HD LYS 15 -9.211 -6.335 -14.011 124 1HE LYS 15 2HE LYS 15 -7.218 -6.575 -15.350 125 2HE LYS 15 1HE LYS 15 -6.827 -8.099 -14.550 126 1HZ LYS 15 1HZ LYS 15 -9.295 -7.658 -16.133 127 2HZ LYS 15 2HZ LYS 15 -8.713 -9.132 -15.522 128 3HZ LYS 15 3HZ LYS 15 -7.883 -8.343 -16.767 129 HA PRO 16 HA PRO 16 -8.977 -2.966 -7.102 130 1HB PRO 16 2HB PRO 16 -9.610 -0.689 -8.659 131 2HB PRO 16 1HB PRO 16 -8.323 -0.860 -7.470 132 1HG PRO 16 2HG PRO 16 -8.192 -0.946 -10.405 133 2HG PRO 16 1HG PRO 16 -6.898 -0.650 -9.235 134 1HD PRO 16 2HD PRO 16 -7.150 -2.941 -10.696 135 2HD PRO 16 1HD PRO 16 -6.340 -2.862 -9.122 136 H LEU 17 H LEU 17 -10.779 -2.175 -6.550 137 HA LEU 17 HA LEU 17 -13.162 -2.429 -8.216 138 1HB LEU 17 2HB LEU 17 -12.942 -2.169 -5.201 139 2HB LEU 17 1HB LEU 17 -14.413 -2.446 -6.113 140 HG LEU 17 HG LEU 17 -12.125 -4.397 -5.838 141 1HD1 LEU 17 1HD1 LEU 17 -13.696 -5.704 -4.499 142 2HD1 LEU 17 2HD1 LEU 17 -14.892 -4.416 -4.640 143 3HD1 LEU 17 3HD1 LEU 17 -13.386 -4.129 -3.769 144 1HD2 LEU 17 1HD2 LEU 17 -13.248 -4.596 -7.994 145 2HD2 LEU 17 2HD2 LEU 17 -14.810 -4.695 -7.180 146 3HD2 LEU 17 3HD2 LEU 17 -13.617 -5.976 -6.959 147 H GLN 18 H GLN 18 -11.806 -0.703 -5.561 148 HA GLN 18 HA GLN 18 -13.157 1.779 -6.148 149 1HB GLN 18 2HB GLN 18 -12.690 1.140 -3.845 150 2HB GLN 18 1HB GLN 18 -10.971 1.041 -4.191 151 1HG GLN 18 2HG GLN 18 -10.865 3.421 -4.538 152 2HG GLN 18 1HG GLN 18 -12.612 3.548 -4.335 153 1HE2 GLN 18 1HE2 GLN 18 -9.574 2.989 -2.727 154 2HE2 GLN 18 2HE2 GLN 18 -10.157 3.209 -1.115 155 H LYS 19 H LYS 19 -12.178 3.637 -7.007 156 HA LYS 19 HA LYS 19 -10.415 3.091 -9.096 157 1HB LYS 19 2HB LYS 19 -11.350 5.695 -7.935 158 2HB LYS 19 1HB LYS 19 -10.278 5.609 -9.323 159 1HG LYS 19 2HG LYS 19 -12.231 3.930 -10.116 160 2HG LYS 19 1HG LYS 19 -13.144 5.054 -9.111 161 1HD LYS 19 2HD LYS 19 -13.137 5.848 -11.391 162 2HD LYS 19 1HD LYS 19 -12.171 6.938 -10.391 163 1HE LYS 19 2HE LYS 19 -10.135 5.722 -11.136 164 2HE LYS 19 1HE LYS 19 -11.147 4.764 -12.215 165 1HZ LYS 19 1HZ LYS 19 -11.773 6.801 -13.368 166 2HZ LYS 19 2HZ LYS 19 -10.093 6.583 -13.383 167 3HZ LYS 19 3HZ LYS 19 -10.791 7.711 -12.325 168 H VAL 20 H VAL 20 -8.362 3.801 -9.545 169 HA VAL 20 HA VAL 20 -6.544 3.457 -7.400 170 HB VAL 20 HB VAL 20 -4.900 3.623 -9.233 171 1HG1 VAL 20 1HG1 VAL 20 -7.201 1.780 -9.776 172 2HG1 VAL 20 2HG1 VAL 20 -5.900 1.484 -8.623 173 3HG1 VAL 20 3HG1 VAL 20 -5.548 1.560 -10.350 174 1HG2 VAL 20 1HG2 VAL 20 -5.632 3.781 -11.533 175 2HG2 VAL 20 2HG2 VAL 20 -6.121 5.221 -10.641 176 3HG2 VAL 20 3HG2 VAL 20 -7.301 3.960 -10.996 177 H ASP 21 H ASP 21 -4.572 4.909 -7.312 178 HA ASP 21 HA ASP 21 -5.159 7.741 -7.632 179 1HB ASP 21 2HB ASP 21 -6.285 6.883 -5.536 180 2HB ASP 21 1HB ASP 21 -4.690 6.552 -4.895 181 H LEU 22 H LEU 22 -3.150 5.536 -8.238 182 HA LEU 22 HA LEU 22 -0.746 6.780 -7.110 183 1HB LEU 22 2HB LEU 22 -1.409 3.894 -7.610 184 2HB LEU 22 1HB LEU 22 0.212 4.458 -7.300 185 HG LEU 22 HG LEU 22 -2.119 4.735 -5.415 186 1HD1 LEU 22 1HD1 LEU 22 -0.904 3.089 -4.054 187 2HD1 LEU 22 2HD1 LEU 22 0.276 2.904 -5.352 188 3HD1 LEU 22 3HD1 LEU 22 -1.402 2.429 -5.611 189 1HD2 LEU 22 1HD2 LEU 22 -0.445 5.510 -3.815 190 2HD2 LEU 22 2HD2 LEU 22 -0.528 6.571 -5.221 191 3HD2 LEU 22 3HD2 LEU 22 0.797 5.417 -5.064 192 H LYS 23 H LYS 23 1.198 5.489 -8.440 193 HA LYS 23 HA LYS 23 0.680 5.965 -11.287 194 1HB LYS 23 2HB LYS 23 3.104 6.663 -11.385 195 2HB LYS 23 1HB LYS 23 2.028 7.790 -10.582 196 1HG LYS 23 2HG LYS 23 2.819 7.099 -8.433 197 2HG LYS 23 1HG LYS 23 3.760 5.786 -9.147 198 1HD LYS 23 2HD LYS 23 5.184 7.395 -10.286 199 2HD LYS 23 1HD LYS 23 4.204 8.725 -9.669 200 1HE LYS 23 2HE LYS 23 6.312 8.375 -8.408 201 2HE LYS 23 1HE LYS 23 4.862 8.246 -7.415 202 1HZ LYS 23 1HZ LYS 23 6.567 6.495 -7.008 203 2HZ LYS 23 2HZ LYS 23 6.272 5.899 -8.567 204 3HZ LYS 23 3HZ LYS 23 5.031 5.895 -7.401 205 H GLU 24 H GLU 24 2.049 4.676 -12.750 206 HA GLU 24 HA GLU 24 2.122 1.995 -11.878 207 1HB GLU 24 2HB GLU 24 3.138 1.561 -14.099 208 2HB GLU 24 1HB GLU 24 1.624 2.423 -14.164 209 1HG GLU 24 2HG GLU 24 4.210 3.905 -14.253 210 2HG GLU 24 1HG GLU 24 3.588 3.117 -15.697 211 H GLY 25 H GLY 25 3.728 0.716 -11.232 212 1HA GLY 25 2HA GLY 25 6.001 0.141 -10.815 213 2HA GLY 25 1HA GLY 25 6.439 1.828 -11.041 214 H GLU 26 H GLU 26 3.637 1.491 -9.162 215 HA GLU 26 HA GLU 26 5.049 2.448 -6.859 216 1HB GLU 26 2HB GLU 26 2.803 3.238 -7.885 217 2HB GLU 26 1HB GLU 26 2.109 1.864 -7.035 218 1HG GLU 26 2HG GLU 26 1.920 3.918 -5.786 219 2HG GLU 26 1HG GLU 26 2.900 2.722 -4.945 220 H ARG 27 H ARG 27 5.017 1.438 -4.768 221 HA ARG 27 HA ARG 27 4.760 -1.477 -4.985 222 1HB ARG 27 2HB ARG 27 6.488 0.242 -3.271 223 2HB ARG 27 1HB ARG 27 6.167 -1.416 -2.822 224 1HG ARG 27 2HG ARG 27 8.221 -1.415 -3.991 225 2HG ARG 27 1HG ARG 27 7.015 -2.092 -5.088 226 1HD ARG 27 2HD ARG 27 8.197 -0.618 -6.423 227 2HD ARG 27 1HD ARG 27 6.774 0.307 -5.966 228 HE ARG 27 HE ARG 27 9.301 0.617 -4.480 229 1HH1 ARG 27 1HH1 ARG 27 6.802 2.012 -6.511 230 2HH1 ARG 27 2HH1 ARG 27 7.201 3.646 -6.085 231 1HH2 ARG 27 1HH2 ARG 27 9.854 2.759 -3.978 232 2HH2 ARG 27 2HH2 ARG 27 8.954 4.067 -4.677 233 H VAL 28 H VAL 28 3.414 -2.547 -3.946 234 HA VAL 28 HA VAL 28 1.959 -1.356 -1.683 235 HB VAL 28 HB VAL 28 -0.182 -2.173 -2.590 236 1HG1 VAL 28 1HG1 VAL 28 1.317 -0.255 -4.366 237 2HG1 VAL 28 2HG1 VAL 28 0.360 0.144 -2.940 238 3HG1 VAL 28 3HG1 VAL 28 -0.431 -0.482 -4.386 239 1HG2 VAL 28 1HG2 VAL 28 0.633 -3.962 -4.020 240 2HG2 VAL 28 2HG2 VAL 28 1.418 -2.788 -5.076 241 3HG2 VAL 28 3HG2 VAL 28 -0.341 -2.828 -4.956 242 H LYS 29 H LYS 29 0.843 -2.857 -0.361 243 HA LYS 29 HA LYS 29 1.860 -5.616 -0.500 244 1HB LYS 29 2HB LYS 29 1.115 -3.920 1.888 245 2HB LYS 29 1HB LYS 29 1.505 -5.628 1.958 246 1HG LYS 29 2HG LYS 29 3.749 -5.177 1.151 247 2HG LYS 29 1HG LYS 29 3.360 -3.463 1.021 248 1HD LYS 29 2HD LYS 29 2.794 -3.559 3.485 249 2HD LYS 29 1HD LYS 29 3.573 -5.137 3.502 250 1HE LYS 29 2HE LYS 29 4.927 -2.622 2.548 251 2HE LYS 29 1HE LYS 29 5.032 -3.218 4.201 252 1HZ LYS 29 1HZ LYS 29 5.987 -4.621 1.753 253 2HZ LYS 29 2HZ LYS 29 5.983 -5.291 3.314 254 3HZ LYS 29 3HZ LYS 29 6.944 -3.936 2.978 255 H ILE 30 H ILE 30 0.400 -7.232 -0.070 256 HA ILE 30 HA ILE 30 -2.448 -6.449 -0.321 257 HB ILE 30 HB ILE 30 -1.468 -9.137 -1.169 258 1HG1 ILE 30 2HG1 ILE 30 0.010 -7.515 -2.332 259 2HG1 ILE 30 1HG1 ILE 30 -1.042 -8.386 -3.439 260 1HG2 ILE 30 1HG2 ILE 30 -3.709 -7.353 -2.075 261 2HG2 ILE 30 2HG2 ILE 30 -3.838 -8.760 -1.019 262 3HG2 ILE 30 3HG2 ILE 30 -3.372 -8.966 -2.708 263 1HD1 ILE 30 1HD1 ILE 30 -0.866 -6.056 -4.044 264 2HD1 ILE 30 2HD1 ILE 30 -1.449 -5.579 -2.450 265 3HD1 ILE 30 3HD1 ILE 30 -2.516 -6.447 -3.556 266 H LYS 31 H LYS 31 -3.866 -7.409 0.971 267 HA LYS 31 HA LYS 31 -3.240 -9.910 2.255 268 1HB LYS 31 2HB LYS 31 -2.510 -8.141 3.882 269 2HB LYS 31 1HB LYS 31 -4.170 -7.567 3.923 270 1HG LYS 31 2HG LYS 31 -4.924 -9.636 4.873 271 2HG LYS 31 1HG LYS 31 -3.321 -10.354 4.682 272 1HD LYS 31 2HD LYS 31 -2.423 -8.614 6.200 273 2HD LYS 31 1HD LYS 31 -4.070 -8.037 6.458 274 1HE LYS 31 2HE LYS 31 -4.705 -10.172 7.413 275 2HE LYS 31 1HE LYS 31 -3.110 -10.833 7.057 276 1HZ LYS 31 1HZ LYS 31 -3.761 -8.688 9.009 277 2HZ LYS 31 2HZ LYS 31 -2.180 -9.110 8.560 278 3HZ LYS 31 3HZ LYS 31 -3.165 -10.243 9.344 279 H LEU 32 H LEU 32 -4.920 -11.145 1.989 280 HA LEU 32 HA LEU 32 -7.431 -9.981 1.159 281 1HB LEU 32 2HB LEU 32 -8.039 -12.138 0.409 282 2HB LEU 32 1HB LEU 32 -6.383 -11.883 -0.082 283 HG LEU 32 HG LEU 32 -7.176 -13.501 2.335 284 1HD1 LEU 32 1HD1 LEU 32 -8.103 -14.502 0.324 285 2HD1 LEU 32 2HD1 LEU 32 -6.757 -15.466 0.936 286 3HD1 LEU 32 3HD1 LEU 32 -6.526 -14.414 -0.463 287 1HD2 LEU 32 1HD2 LEU 32 -4.912 -12.820 2.543 288 2HD2 LEU 32 2HD2 LEU 32 -4.586 -13.140 0.840 289 3HD2 LEU 32 3HD2 LEU 32 -4.879 -14.481 1.946 290 H GLU 33 H GLU 33 -9.395 -10.334 2.250 291 HA GLU 33 HA GLU 33 -8.969 -10.953 5.064 292 1HB GLU 33 2HB GLU 33 -11.060 -9.492 3.595 293 2HB GLU 33 1HB GLU 33 -11.487 -10.225 5.106 294 1HG GLU 33 2HG GLU 33 -10.924 -7.971 5.564 295 2HG GLU 33 1HG GLU 33 -9.611 -8.978 6.168 296 H LEU 34 H LEU 34 -9.425 -12.720 5.842 297 HA LEU 34 HA LEU 34 -11.144 -14.646 4.501 298 1HB LEU 34 2HB LEU 34 -9.242 -14.993 6.808 299 2HB LEU 34 1HB LEU 34 -10.134 -16.275 6.017 300 HG LEU 34 HG LEU 34 -8.026 -16.449 5.140 301 1HD1 LEU 34 1HD1 LEU 34 -9.504 -14.737 3.190 302 2HD1 LEU 34 2HD1 LEU 34 -9.656 -16.484 3.379 303 3HD1 LEU 34 3HD1 LEU 34 -8.142 -15.787 2.801 304 1HD2 LEU 34 1HD2 LEU 34 -7.909 -13.476 4.831 305 2HD2 LEU 34 2HD2 LEU 34 -6.655 -14.605 4.317 306 3HD2 LEU 34 3HD2 LEU 34 -7.046 -14.441 6.030 307 H LYS 35 H LYS 35 -11.878 -16.194 6.602 308 HA LYS 35 HA LYS 35 -13.035 -14.458 8.648 309 1HB LYS 35 2HB LYS 35 -14.785 -15.042 6.960 310 2HB LYS 35 1HB LYS 35 -14.539 -16.735 7.333 311 1HG LYS 35 2HG LYS 35 -15.432 -16.471 9.511 312 2HG LYS 35 1HG LYS 35 -15.363 -14.709 9.394 313 1HD LYS 35 2HD LYS 35 -17.037 -14.763 7.611 314 2HD LYS 35 1HD LYS 35 -17.106 -16.522 7.730 315 1HE LYS 35 2HE LYS 35 -17.955 -16.375 9.988 316 2HE LYS 35 1HE LYS 35 -17.763 -14.622 9.977 317 1HZ LYS 35 1HZ LYS 35 -19.491 -14.378 8.440 318 2HZ LYS 35 2HZ LYS 35 -20.071 -15.520 9.553 319 3HZ LYS 35 3HZ LYS 35 -19.504 -16.023 8.036 320 H VAL 36 H VAL 36 -13.596 -15.751 10.592 321 HA VAL 36 HA VAL 36 -11.313 -17.110 11.418 322 HB VAL 36 HB VAL 36 -12.615 -16.123 13.105 323 1HG1 VAL 36 1HG1 VAL 36 -14.895 -16.814 13.679 324 2HG1 VAL 36 2HG1 VAL 36 -14.890 -17.932 12.317 325 3HG1 VAL 36 3HG1 VAL 36 -14.801 -16.194 12.030 326 1HG2 VAL 36 1HG2 VAL 36 -12.978 -17.940 14.705 327 2HG2 VAL 36 2HG2 VAL 36 -11.465 -18.134 13.818 328 3HG2 VAL 36 3HG2 VAL 36 -12.874 -19.106 13.387 329 H GLU 37 H GLU 37 -10.631 -19.077 11.303 330 HA GLU 37 HA GLU 37 -11.845 -20.929 9.560 331 1HB GLU 37 2HB GLU 37 -9.492 -21.144 11.441 332 2HB GLU 37 1HB GLU 37 -9.947 -22.395 10.303 333 1HG GLU 37 2HG GLU 37 -9.561 -20.888 8.443 334 2HG GLU 37 1HG GLU 37 -9.179 -19.586 9.567 335 HA PRO 38 HA PRO 38 -14.333 -22.753 12.788 336 1HB PRO 38 2HB PRO 38 -16.017 -24.086 11.200 337 2HB PRO 38 1HB PRO 38 -16.085 -22.324 11.329 338 1HG PRO 38 2HG PRO 38 -14.883 -24.025 9.187 339 2HG PRO 38 1HG PRO 38 -15.819 -22.529 9.032 340 1HD PRO 38 2HD PRO 38 -13.059 -22.683 8.923 341 2HD PRO 38 1HD PRO 38 -13.974 -21.221 9.333 342 H ILE 39 H ILE 39 -15.045 -24.988 13.287 343 HA ILE 39 HA ILE 39 -13.203 -27.033 12.299 344 HB ILE 39 HB ILE 39 -13.243 -27.912 14.671 345 1HG1 ILE 39 2HG1 ILE 39 -14.141 -25.092 15.261 346 2HG1 ILE 39 1HG1 ILE 39 -15.116 -26.542 15.478 347 1HG2 ILE 39 1HG2 ILE 39 -11.267 -26.889 13.680 348 2HG2 ILE 39 2HG2 ILE 39 -11.395 -26.493 15.393 349 3HG2 ILE 39 3HG2 ILE 39 -11.844 -25.297 14.179 350 1HD1 ILE 39 1HD1 ILE 39 -13.550 -27.333 17.176 351 2HD1 ILE 39 2HD1 ILE 39 -14.216 -25.754 17.589 352 3HD1 ILE 39 3HD1 ILE 39 -12.575 -25.880 16.953 353 H ASP 40 H ASP 40 -13.994 -29.256 12.836 354 HA ASP 40 HA ASP 40 -16.895 -29.371 13.261 355 1HB ASP 40 2HB ASP 40 -16.571 -29.506 10.841 356 2HB ASP 40 1HB ASP 40 -15.436 -30.837 11.052 357 H LEU 41 H LEU 41 -17.269 -30.625 14.918 358 HA LEU 41 HA LEU 41 -15.917 -33.169 15.168 359 1HB LEU 41 2HB LEU 41 -15.261 -32.853 17.471 360 2HB LEU 41 1HB LEU 41 -14.484 -31.649 16.465 361 HG LEU 41 HG LEU 41 -16.968 -31.046 18.066 362 1HD1 LEU 41 1HD1 LEU 41 -15.249 -31.823 19.609 363 2HD1 LEU 41 2HD1 LEU 41 -15.485 -30.083 19.765 364 3HD1 LEU 41 3HD1 LEU 41 -14.084 -30.709 18.895 365 1HD2 LEU 41 1HD2 LEU 41 -16.442 -29.476 16.270 366 2HD2 LEU 41 2HD2 LEU 41 -14.808 -29.286 16.907 367 3HD2 LEU 41 3HD2 LEU 41 -16.191 -28.742 17.855 368 H GLY 42 H GLY 42 -17.287 -34.703 15.888 369 1HA GLY 42 2HA GLY 42 -19.941 -33.834 16.733 370 2HA GLY 42 1HA GLY 42 -19.484 -35.458 16.222 371 H GLU 43 H GLU 43 -20.484 -36.306 18.061 372 HA GLU 43 HA GLU 43 -19.065 -35.819 20.568 373 1HB GLU 43 2HB GLU 43 -21.939 -36.592 20.127 374 2HB GLU 43 1HB GLU 43 -21.165 -36.443 21.692 375 1HG GLU 43 2HG GLU 43 -20.714 -34.067 21.204 376 2HG GLU 43 1HG GLU 43 -21.592 -34.249 19.687 377 HA PRO 44 HA PRO 44 -17.864 -40.072 20.481 378 1HB PRO 44 2HB PRO 44 -17.918 -39.987 23.423 379 2HB PRO 44 1HB PRO 44 -16.557 -40.263 22.333 380 1HG PRO 44 2HG PRO 44 -16.801 -37.975 23.708 381 2HG PRO 44 1HG PRO 44 -16.141 -38.008 22.061 382 1HD PRO 44 2HD PRO 44 -18.889 -37.239 22.985 383 2HD PRO 44 1HD PRO 44 -17.852 -36.464 21.769 384 H VAL 45 H VAL 45 -18.824 -42.039 20.581 385 HA VAL 45 HA VAL 45 -21.576 -42.120 21.451 386 HB VAL 45 HB VAL 45 -21.214 -43.163 19.386 387 1HG1 VAL 45 1HG1 VAL 45 -19.624 -45.007 19.027 388 2HG1 VAL 45 2HG1 VAL 45 -19.047 -44.806 20.681 389 3HG1 VAL 45 3HG1 VAL 45 -18.822 -43.512 19.505 390 1HG2 VAL 45 1HG2 VAL 45 -21.876 -45.495 19.730 391 2HG2 VAL 45 2HG2 VAL 45 -22.785 -44.372 20.741 392 3HG2 VAL 45 3HG2 VAL 45 -21.484 -45.333 21.443 393 H SER 46 H SER 46 -22.432 -43.504 22.927 394 HA SER 46 HA SER 46 -20.609 -44.168 25.107 395 1HB SER 46 2HB SER 46 -23.610 -44.238 25.190 396 2HB SER 46 1HB SER 46 -22.488 -44.083 26.525 397 HG SER 46 HG SER 46 -21.956 -42.016 25.840 398 H VAL 47 H VAL 47 -20.907 -46.131 26.282 399 HA VAL 47 HA VAL 47 -22.164 -48.354 24.859 400 HB VAL 47 HB VAL 47 -19.310 -48.489 25.866 401 1HG1 VAL 47 1HG1 VAL 47 -19.275 -50.716 24.864 402 2HG1 VAL 47 2HG1 VAL 47 -20.968 -50.539 24.408 403 3HG1 VAL 47 3HG1 VAL 47 -20.515 -50.587 26.110 404 1HG2 VAL 47 1HG2 VAL 47 -18.651 -48.759 23.518 405 2HG2 VAL 47 2HG2 VAL 47 -19.404 -47.192 23.809 406 3HG2 VAL 47 3HG2 VAL 47 -20.319 -48.476 23.021 407 H GLU 48 H GLU 48 -23.194 -49.697 26.264 408 HA GLU 48 HA GLU 48 -22.490 -49.415 29.107 409 1HB GLU 48 2HB GLU 48 -24.663 -48.424 28.636 410 2HB GLU 48 1HB GLU 48 -25.215 -49.942 27.951 411 1HG GLU 48 2HG GLU 48 -25.149 -51.019 30.059 412 2HG GLU 48 1HG GLU 48 -24.299 -49.658 30.790 413 H GLU 49 H GLU 49 -21.829 -51.082 30.051 414 HA GLU 49 HA GLU 49 -21.746 -53.633 28.671 415 1HB GLU 49 2HB GLU 49 -20.423 -52.701 31.221 416 2HB GLU 49 1HB GLU 49 -20.174 -54.281 30.486 417 1HG GLU 49 2HG GLU 49 -19.269 -53.206 28.485 418 2HG GLU 49 1HG GLU 49 -19.514 -51.625 29.229 419 H ILE 50 H ILE 50 -23.464 -52.140 31.186 420 HA ILE 50 HA ILE 50 -23.978 -54.337 32.863 421 HB ILE 50 HB ILE 50 -25.734 -51.905 32.531 422 1HG1 ILE 50 2HG1 ILE 50 -23.391 -51.223 32.823 423 2HG1 ILE 50 1HG1 ILE 50 -24.351 -50.827 34.242 424 1HG2 ILE 50 1HG2 ILE 50 -25.245 -53.668 34.931 425 2HG2 ILE 50 2HG2 ILE 50 -26.694 -53.675 33.925 426 3HG2 ILE 50 3HG2 ILE 50 -26.289 -52.247 34.878 427 1HD1 ILE 50 1HD1 ILE 50 -23.455 -52.800 35.386 428 2HD1 ILE 50 2HD1 ILE 50 -22.179 -51.693 34.879 429 3HD1 ILE 50 3HD1 ILE 50 -22.477 -53.171 33.966 430 H LYS 51 H LYS 51 -25.021 -53.946 29.743 431 HA LYS 51 HA LYS 51 -27.659 -55.072 30.043 432 1HB LYS 51 2HB LYS 51 -27.086 -53.610 28.128 433 2HB LYS 51 1HB LYS 51 -25.923 -54.805 27.574 434 1HG LYS 51 2HG LYS 51 -27.673 -56.383 27.130 435 2HG LYS 51 1HG LYS 51 -28.876 -55.315 27.849 436 1HD LYS 51 2HD LYS 51 -29.149 -55.000 25.556 437 2HD LYS 51 1HD LYS 51 -28.167 -53.624 26.049 438 1HE LYS 51 2HE LYS 51 -27.097 -56.164 24.818 439 2HE LYS 51 1HE LYS 51 -27.418 -54.677 23.932 440 1HZ LYS 51 1HZ LYS 51 -25.800 -53.585 25.488 441 2HZ LYS 51 2HZ LYS 51 -25.125 -54.706 24.412 442 3HZ LYS 51 3HZ LYS 51 -25.379 -55.134 26.026 443 H LYS 52 H LYS 52 -28.197 -57.215 29.998 444 HA LYS 52 HA LYS 52 -25.958 -59.096 29.938 445 1HB LYS 52 2HB LYS 52 -27.446 -60.518 31.315 446 2HB LYS 52 1HB LYS 52 -27.052 -58.993 32.081 447 1HG LYS 52 2HG LYS 52 -29.234 -58.113 31.439 448 2HG LYS 52 1HG LYS 52 -29.619 -59.640 30.645 449 1HD LYS 52 2HD LYS 52 -29.361 -60.794 32.814 450 2HD LYS 52 1HD LYS 52 -29.077 -59.233 33.586 451 1HE LYS 52 2HE LYS 52 -31.373 -59.892 33.918 452 2HE LYS 52 1HE LYS 52 -31.315 -58.499 32.837 453 1HZ LYS 52 1HZ LYS 52 -31.625 -59.961 30.956 454 2HZ LYS 52 2HZ LYS 52 -32.873 -60.203 32.077 455 3HZ LYS 52 3HZ LYS 52 -31.606 -61.327 31.963 456 H ILE 53 H ILE 53 -26.245 -61.141 28.995 457 HA ILE 53 HA ILE 53 -28.169 -61.175 26.797 458 HB ILE 53 HB ILE 53 -26.375 -63.228 26.360 459 1HG1 ILE 53 2HG1 ILE 53 -24.213 -61.809 26.373 460 2HG1 ILE 53 1HG1 ILE 53 -25.023 -60.871 27.608 461 1HG2 ILE 53 1HG2 ILE 53 -25.599 -61.818 24.508 462 2HG2 ILE 53 2HG2 ILE 53 -26.393 -60.431 25.252 463 3HG2 ILE 53 3HG2 ILE 53 -27.356 -61.790 24.673 464 1HD1 ILE 53 1HD1 ILE 53 -25.267 -62.865 28.985 465 2HD1 ILE 53 2HD1 ILE 53 -23.576 -62.528 28.603 466 3HD1 ILE 53 3HD1 ILE 53 -24.432 -63.808 27.749 467 H ARG 54 H ARG 54 -27.826 -63.953 26.254 468 HA ARG 54 HA ARG 54 -29.456 -65.091 28.425 469 1HB ARG 54 2HB ARG 54 -30.395 -64.889 26.068 470 2HB ARG 54 1HB ARG 54 -29.203 -66.085 25.582 471 1HG ARG 54 2HG ARG 54 -30.231 -67.585 27.375 472 2HG ARG 54 1HG ARG 54 -31.569 -66.432 27.395 473 1HD ARG 54 2HD ARG 54 -30.616 -68.159 25.126 474 2HD ARG 54 1HD ARG 54 -32.211 -68.121 25.876 475 HE ARG 54 HE ARG 54 -32.544 -65.939 24.827 476 1HH1 ARG 54 1HH1 ARG 54 -30.036 -68.031 23.541 477 2HH1 ARG 54 2HH1 ARG 54 -29.918 -67.165 22.033 478 1HH2 ARG 54 1HH2 ARG 54 -32.384 -64.808 22.859 479 2HH2 ARG 54 2HH2 ARG 54 -31.232 -65.313 21.655 480 H ASP 55 H ASP 55 -29.084 -67.390 28.937 481 HA ASP 55 HA ASP 55 -26.371 -68.151 29.116 482 1HB ASP 55 2HB ASP 55 -28.896 -69.780 29.396 483 2HB ASP 55 1HB ASP 55 -27.293 -70.410 29.734 484 H GLY 56 H GLY 56 -25.318 -69.928 28.086 485 1HA GLY 56 2HA GLY 56 -26.117 -70.175 25.279 486 2HA GLY 56 1HA GLY 56 -24.522 -70.525 25.933 487 H THR 57 H THR 57 -26.086 -72.212 24.219 488 HA THR 57 HA THR 57 -27.222 -74.344 25.698 489 HB THR 57 HB THR 57 -25.941 -74.630 22.988 490 HG1 THR 57 HG1 THR 57 -27.267 -72.997 22.506 491 1HG2 THR 57 1HG2 THR 57 -28.368 -75.918 24.237 492 2HG2 THR 57 2HG2 THR 57 -26.780 -76.669 24.070 493 3HG2 THR 57 3HG2 THR 57 -27.720 -76.261 22.633 494 H TRP 58 H TRP 58 -26.277 -76.058 26.654 495 HA TRP 58 HA TRP 58 -23.343 -76.240 26.456 496 1HB TRP 58 2HB TRP 58 -24.283 -75.263 28.613 497 2HB TRP 58 1HB TRP 58 -24.966 -76.853 28.933 498 HD1 TRP 58 HD1 TRP 58 -21.428 -75.467 28.075 499 HE1 TRP 58 HE1 TRP 58 -19.714 -76.712 29.545 500 HE3 TRP 58 HE3 TRP 58 -24.630 -78.584 30.566 501 HZ2 TRP 58 HZ2 TRP 58 -19.736 -78.742 31.507 502 HZ3 TRP 58 HZ3 TRP 58 -23.701 -80.142 32.229 503 HH2 TRP 58 HH2 TRP 58 -21.303 -80.219 32.689 504 H MET 59 H MET 59 -22.642 -78.472 27.479 505 HA MET 59 HA MET 59 -23.566 -80.476 25.734 506 1HB MET 59 2HB MET 59 -21.300 -80.446 26.663 507 2HB MET 59 1HB MET 59 -21.946 -80.722 28.274 508 1HG MET 59 2HG MET 59 -22.791 -82.906 27.547 509 2HG MET 59 1HG MET 59 -22.100 -82.630 25.948 510 1HE MET 59 1HE MET 59 -21.508 -85.214 27.732 511 2HE MET 59 2HE MET 59 -19.771 -85.392 27.484 512 3HE MET 59 3HE MET 59 -20.818 -84.958 26.131 513 H SER 60 H SER 60 -25.168 -81.901 25.890 514 HA SER 60 HA SER 60 -27.076 -81.845 27.955 515 1HB SER 60 2HB SER 60 -26.616 -84.108 25.997 516 2HB SER 60 1HB SER 60 -28.129 -83.658 26.781 517 HG SER 60 HG SER 60 -27.843 -81.580 25.623 518 H SER 61 H SER 61 -27.628 -83.563 29.451 519 HA SER 61 HA SER 61 -25.242 -84.639 30.713 520 1HB SER 61 2HB SER 61 -28.119 -84.778 31.653 521 2HB SER 61 1HB SER 61 -26.668 -85.041 32.623 522 HG SER 61 HG SER 61 -27.043 -82.601 31.263 523 H LEU 62 H LEU 62 -26.656 -85.731 28.202 524 HA LEU 62 HA LEU 62 -27.067 -87.676 27.174 525 1HB LEU 62 2HB LEU 62 -25.433 -88.690 29.490 526 2HB LEU 62 1HB LEU 62 -26.004 -89.713 28.200 527 HG LEU 62 HG LEU 62 -24.752 -88.144 26.614 528 1HD1 LEU 62 1HD1 LEU 62 -22.816 -87.002 27.615 529 2HD1 LEU 62 2HD1 LEU 62 -23.453 -87.364 29.220 530 3HD1 LEU 62 3HD1 LEU 62 -24.353 -86.309 28.131 531 1HD2 LEU 62 1HD2 LEU 62 -24.034 -90.412 27.072 532 2HD2 LEU 62 2HD2 LEU 62 -23.239 -89.886 28.557 533 3HD2 LEU 62 3HD2 LEU 62 -22.640 -89.336 26.991 534 H GLU 63 H GLU 63 -27.720 -90.183 27.920 535 HA GLU 63 HA GLU 63 -30.282 -89.763 29.238 536 1HB GLU 63 2HB GLU 63 -29.235 -91.895 27.405 537 2HB GLU 63 1HB GLU 63 -30.706 -92.135 28.333 538 1HG GLU 63 2HG GLU 63 -31.220 -91.410 26.086 539 2HG GLU 63 1HG GLU 63 -31.713 -90.192 27.255 540 H HIS 64 H HIS 64 -27.263 -91.324 29.683 541 HA HIS 64 HA HIS 64 -26.302 -92.236 31.535 542 1HB HIS 64 2HB HIS 64 -27.399 -90.662 32.942 543 2HB HIS 64 1HB HIS 64 -28.945 -91.475 32.775 544 HD1 HIS 64 HD1 HIS 64 -29.369 -93.543 34.265 545 HD2 HIS 64 HD2 HIS 64 -25.666 -91.748 34.860 546 HE1 HIS 64 HE1 HIS 64 -28.495 -94.496 36.422 547 HE2 HIS 64 HE2 HIS 64 -26.184 -93.521 36.677 548 H HIS 65 H HIS 65 -29.127 -93.518 30.147 549 HA HIS 65 HA HIS 65 -30.033 -95.591 29.976 550 1HB HIS 65 2HB HIS 65 -27.322 -96.260 31.000 551 2HB HIS 65 1HB HIS 65 -28.559 -97.501 31.150 552 HD1 HIS 65 HD1 HIS 65 -25.928 -96.868 29.043 553 HD2 HIS 65 HD2 HIS 65 -29.988 -97.442 28.323 554 HE1 HIS 65 HE1 HIS 65 -26.098 -97.607 26.643 555 HE2 HIS 65 HE2 HIS 65 -28.540 -98.138 26.296 556 H HIS 66 H HIS 66 -30.481 -97.652 31.566 557 HA HIS 66 HA HIS 66 -31.549 -96.372 33.983 558 1HB HIS 66 2HB HIS 66 -32.626 -98.690 32.376 559 2HB HIS 66 1HB HIS 66 -33.265 -98.204 33.942 560 HD1 HIS 66 HD1 HIS 66 -34.820 -96.210 34.011 561 HD2 HIS 66 HD2 HIS 66 -33.080 -96.798 30.278 562 HE1 HIS 66 HE1 HIS 66 -36.011 -94.639 32.451 563 HE2 HIS 66 HE2 HIS 66 -34.740 -94.818 30.285 564 H HIS 67 H HIS 67 -30.435 -96.822 35.689 565 HA HIS 67 HA HIS 67 -28.967 -99.344 35.867 566 1HB HIS 67 2HB HIS 67 -27.806 -97.166 36.283 567 2HB HIS 67 1HB HIS 67 -28.861 -96.909 37.667 568 HD1 HIS 67 HD1 HIS 67 -26.240 -99.392 36.469 569 HD2 HIS 67 HD2 HIS 67 -27.893 -97.913 39.991 570 HE1 HIS 67 HE1 HIS 67 -24.845-100.348 38.334 571 HE2 HIS 67 HE2 HIS 67 -25.723 -99.253 40.425 572 H HIS 68 H HIS 68 -30.411-100.876 36.491 573 HA HIS 68 HA HIS 68 -32.281-100.213 38.637 574 1HB HIS 68 2HB HIS 68 -33.477-102.288 38.027 575 2HB HIS 68 1HB HIS 68 -33.345-101.153 36.692 576 HD1 HIS 68 HD1 HIS 68 -33.008-104.623 37.450 577 HD2 HIS 68 HD2 HIS 68 -31.086-101.985 34.865 578 HE1 HIS 68 HE1 HIS 68 -31.919-106.058 35.698 579 HE2 HIS 68 HE2 HIS 68 -30.987-104.433 34.014 580 H HIS 69 H HIS 69 -29.314-101.709 38.242 581 HA HIS 69 HA HIS 69 -29.205-102.129 41.041 582 1HB HIS 69 2HB HIS 69 -28.803-104.470 41.198 583 2HB HIS 69 1HB HIS 69 -30.301-104.281 40.302 584 HD1 HIS 69 HD1 HIS 69 -26.855-105.591 40.049 585 HD2 HIS 69 HD2 HIS 69 -30.130-105.007 37.554 586 HE1 HIS 69 HE1 HIS 69 -26.386-106.955 37.985 587 HE2 HIS 69 HE2 HIS 69 -28.424-106.659 36.525 588 1H MET 1 1H MET 1 -4.427 -19.677 5.910 589 2H MET 1 2H MET 1 -4.354 -19.245 7.552 590 3H MET 1 3H MET 1 -3.749 -20.739 7.044 591 HA MET 1 HA MET 1 -1.942 -19.238 7.458 592 1HB MET 1 2HB MET 1 -2.383 -19.687 4.494 593 2HB MET 1 1HB MET 1 -0.841 -19.307 5.244 594 1HG MET 1 2HG MET 1 -0.944 -21.406 6.499 595 2HG MET 1 1HG MET 1 -2.483 -21.781 5.726 596 1HE MET 1 1HE MET 1 -1.979 -20.705 2.760 597 2HE MET 1 2HE MET 1 -2.753 -22.252 3.106 598 3HE MET 1 3HE MET 1 -1.413 -22.174 1.963 599 HA PRO 2 HA PRO 2 -3.360 -15.040 6.500 600 1HB PRO 2 2HB PRO 2 -1.954 -14.111 8.805 601 2HB PRO 2 1HB PRO 2 -3.695 -14.321 8.618 602 1HG PRO 2 2HG PRO 2 -2.083 -15.809 10.313 603 2HG PRO 2 1HG PRO 2 -3.689 -16.290 9.743 604 1HD PRO 2 2HD PRO 2 -0.995 -17.144 8.772 605 2HD PRO 2 1HD PRO 2 -2.497 -18.084 8.918 606 H LYS 3 H LYS 3 -2.114 -14.485 4.750 607 HA LYS 3 HA LYS 3 0.708 -13.833 5.288 608 1HB LYS 3 2HB LYS 3 -0.506 -15.163 2.881 609 2HB LYS 3 1HB LYS 3 1.087 -14.425 2.852 610 1HG LYS 3 2HG LYS 3 1.873 -15.959 4.529 611 2HG LYS 3 1HG LYS 3 0.254 -16.646 4.694 612 1HD LYS 3 2HD LYS 3 1.576 -18.084 3.293 613 2HD LYS 3 1HD LYS 3 0.333 -17.300 2.322 614 1HE LYS 3 2HE LYS 3 1.974 -15.692 1.503 615 2HE LYS 3 1HE LYS 3 3.220 -16.456 2.490 616 1HZ LYS 3 1HZ LYS 3 3.263 -17.171 0.145 617 2HZ LYS 3 2HZ LYS 3 1.709 -17.834 0.331 618 3HZ LYS 3 3HZ LYS 3 3.011 -18.462 1.219 619 H ILE 4 H ILE 4 1.636 -12.404 3.587 620 HA ILE 4 HA ILE 4 -0.261 -10.638 2.299 621 HB ILE 4 HB ILE 4 0.372 -8.847 3.445 622 1HG1 ILE 4 2HG1 ILE 4 3.285 -9.513 3.313 623 2HG1 ILE 4 1HG1 ILE 4 2.411 -8.977 1.899 624 1HG2 ILE 4 1HG2 ILE 4 1.632 -9.031 5.527 625 2HG2 ILE 4 2HG2 ILE 4 2.097 -10.675 5.081 626 3HG2 ILE 4 3HG2 ILE 4 0.400 -10.285 5.377 627 1HD1 ILE 4 1HD1 ILE 4 3.588 -7.146 2.986 628 2HD1 ILE 4 2HD1 ILE 4 2.705 -7.460 4.479 629 3HD1 ILE 4 3HD1 ILE 4 1.843 -6.898 3.046 630 H ILE 5 H ILE 5 0.477 -9.915 0.298 631 HA ILE 5 HA ILE 5 3.143 -10.867 -0.536 632 HB ILE 5 HB ILE 5 0.957 -10.555 -2.549 633 1HG1 ILE 5 2HG1 ILE 5 1.338 -12.978 -0.800 634 2HG1 ILE 5 1HG1 ILE 5 -0.074 -11.938 -0.822 635 1HG2 ILE 5 1HG2 ILE 5 3.330 -12.395 -2.327 636 2HG2 ILE 5 2HG2 ILE 5 3.229 -10.932 -3.308 637 3HG2 ILE 5 3HG2 ILE 5 2.212 -12.322 -3.691 638 1HD1 ILE 5 1HD1 ILE 5 0.879 -13.667 -3.091 639 2HD1 ILE 5 2HD1 ILE 5 -0.544 -12.624 -3.106 640 3HD1 ILE 5 3HD1 ILE 5 -0.477 -14.004 -2.013 641 H GLU 6 H GLU 6 4.151 -9.471 -2.181 642 HA GLU 6 HA GLU 6 3.023 -6.771 -2.097 643 1HB GLU 6 2HB GLU 6 5.876 -7.671 -2.500 644 2HB GLU 6 1HB GLU 6 5.329 -6.003 -2.600 645 1HG GLU 6 2HG GLU 6 4.552 -6.140 -0.271 646 2HG GLU 6 1HG GLU 6 5.178 -7.784 -0.179 647 H ALA 7 H ALA 7 2.690 -5.663 -3.982 648 HA ALA 7 HA ALA 7 3.203 -7.091 -6.504 649 1HB ALA 7 1HB ALA 7 0.608 -5.756 -5.711 650 2HB ALA 7 2HB ALA 7 0.877 -7.495 -5.837 651 3HB ALA 7 3HB ALA 7 0.965 -6.480 -7.277 652 H VAL 8 H VAL 8 3.257 -5.715 -8.347 653 HA VAL 8 HA VAL 8 3.889 -2.928 -7.695 654 HB VAL 8 HB VAL 8 4.904 -2.904 -10.013 655 1HG1 VAL 8 1HG1 VAL 8 6.981 -3.964 -9.275 656 2HG1 VAL 8 2HG1 VAL 8 6.105 -4.742 -7.958 657 3HG1 VAL 8 3HG1 VAL 8 6.257 -2.985 -8.001 658 1HG2 VAL 8 1HG2 VAL 8 4.671 -5.887 -9.724 659 2HG2 VAL 8 2HG2 VAL 8 5.588 -5.038 -10.969 660 3HG2 VAL 8 3HG2 VAL 8 3.831 -4.892 -10.914 661 H TYR 9 H TYR 9 2.392 -1.527 -8.047 662 HA TYR 9 HA TYR 9 0.121 -2.005 -9.770 663 1HB TYR 9 2HB TYR 9 -0.310 -0.767 -7.782 664 2HB TYR 9 1HB TYR 9 1.039 0.326 -8.072 665 HD1 TYR 9 HD1 TYR 9 -2.334 -0.621 -9.301 666 HD2 TYR 9 HD2 TYR 9 0.738 2.313 -9.291 667 HE1 TYR 9 HE1 TYR 9 -3.846 0.965 -10.414 668 HE2 TYR 9 HE2 TYR 9 -0.764 3.899 -10.404 669 HH TYR 9 HH TYR 9 -2.751 3.871 -11.810 670 H GLU 10 H GLU 10 0.339 -2.024 -11.729 671 HA GLU 10 HA GLU 10 1.839 -0.064 -13.202 672 1HB GLU 10 2HB GLU 10 0.184 -2.408 -14.099 673 2HB GLU 10 1HB GLU 10 1.039 -1.327 -15.185 674 1HG GLU 10 2HG GLU 10 3.122 -1.981 -13.788 675 2HG GLU 10 1HG GLU 10 2.130 -3.355 -13.296 676 H ASN 11 H ASN 11 0.183 0.229 -15.374 677 HA ASN 11 HA ASN 11 -1.040 2.638 -14.592 678 1HB ASN 11 2HB ASN 11 -0.037 1.795 -16.806 679 2HB ASN 11 1HB ASN 11 -1.623 1.129 -17.108 680 1HD2 ASN 11 1HD2 ASN 11 -2.083 2.408 -18.837 681 2HD2 ASN 11 2HD2 ASN 11 -2.386 4.111 -18.705 682 H GLY 12 H GLY 12 -2.270 0.981 -13.000 683 1HA GLY 12 2HA GLY 12 -4.655 1.195 -12.411 684 2HA GLY 12 1HA GLY 12 -5.027 0.762 -14.082 685 H VAL 13 H VAL 13 -2.324 -0.845 -13.000 686 HA VAL 13 HA VAL 13 -3.927 -3.308 -12.597 687 HB VAL 13 HB VAL 13 -1.088 -3.262 -13.539 688 1HG1 VAL 13 1HG1 VAL 13 -1.750 -5.370 -14.628 689 2HG1 VAL 13 2HG1 VAL 13 -3.373 -5.179 -13.965 690 3HG1 VAL 13 3HG1 VAL 13 -1.999 -5.393 -12.881 691 1HG2 VAL 13 1HG2 VAL 13 -2.247 -1.770 -15.075 692 2HG2 VAL 13 2HG2 VAL 13 -3.510 -2.974 -15.327 693 3HG2 VAL 13 3HG2 VAL 13 -1.867 -3.293 -15.882 694 H PHE 14 H PHE 14 -3.274 -4.673 -10.885 695 HA PHE 14 HA PHE 14 -0.785 -3.874 -9.544 696 1HB PHE 14 2HB PHE 14 -3.234 -5.206 -8.395 697 2HB PHE 14 1HB PHE 14 -1.711 -5.055 -7.542 698 HD1 PHE 14 HD1 PHE 14 -1.024 -2.989 -6.574 699 HD2 PHE 14 HD2 PHE 14 -4.575 -3.216 -8.903 700 HE1 PHE 14 HE1 PHE 14 -1.685 -0.758 -5.772 701 HE2 PHE 14 HE2 PHE 14 -5.244 -0.984 -8.114 702 HZ PHE 14 HZ PHE 14 -3.796 0.252 -6.542 703 H LYS 15 H LYS 15 0.804 -5.187 -10.008 704 HA LYS 15 HA LYS 15 0.190 -7.965 -10.740 705 1HB LYS 15 2HB LYS 15 2.256 -6.039 -11.762 706 2HB LYS 15 1HB LYS 15 2.427 -7.772 -11.978 707 1HG LYS 15 2HG LYS 15 0.328 -7.856 -13.179 708 2HG LYS 15 1HG LYS 15 0.100 -6.126 -12.915 709 1HD LYS 15 2HD LYS 15 2.105 -5.650 -14.208 710 2HD LYS 15 1HD LYS 15 2.379 -7.380 -14.440 711 1HE LYS 15 2HE LYS 15 -0.120 -5.956 -15.331 712 2HE LYS 15 1HE LYS 15 1.288 -6.181 -16.369 713 1HZ LYS 15 1HZ LYS 15 -0.444 -7.881 -16.690 714 2HZ LYS 15 2HZ LYS 15 -0.224 -8.399 -15.087 715 3HZ LYS 15 3HZ LYS 15 1.041 -8.543 -16.208 716 HA PRO 16 HA PRO 16 2.086 -9.097 -6.890 717 1HB PRO 16 2HB PRO 16 2.441 -11.447 -8.718 718 2HB PRO 16 1HB PRO 16 2.073 -11.446 -6.991 719 1HG PRO 16 2HG PRO 16 0.118 -11.762 -8.749 720 2HG PRO 16 1HG PRO 16 -0.131 -10.677 -7.366 721 1HD PRO 16 2HD PRO 16 0.319 -10.007 -10.227 722 2HD PRO 16 1HD PRO 16 -0.555 -9.102 -8.976 723 H LEU 17 H LEU 17 3.914 -9.912 -6.109 724 HA LEU 17 HA LEU 17 6.182 -10.337 -7.875 725 1HB LEU 17 2HB LEU 17 6.149 -8.907 -5.210 726 2HB LEU 17 1HB LEU 17 7.613 -9.464 -5.999 727 HG LEU 17 HG LEU 17 5.922 -7.785 -7.707 728 1HD1 LEU 17 1HD1 LEU 17 6.558 -5.686 -6.618 729 2HD1 LEU 17 2HD1 LEU 17 7.189 -6.602 -5.245 730 3HD1 LEU 17 3HD1 LEU 17 5.466 -6.656 -5.629 731 1HD2 LEU 17 1HD2 LEU 17 8.835 -7.678 -6.930 732 2HD2 LEU 17 2HD2 LEU 17 8.074 -6.754 -8.225 733 3HD2 LEU 17 3HD2 LEU 17 8.166 -8.512 -8.332 734 H GLN 18 H GLN 18 6.080 -12.332 -7.871 735 HA GLN 18 HA GLN 18 6.668 -14.416 -7.480 736 1HB GLN 18 2HB GLN 18 7.486 -15.238 -5.407 737 2HB GLN 18 1HB GLN 18 8.209 -13.681 -5.731 738 1HG GLN 18 2HG GLN 18 7.757 -13.465 -3.537 739 2HG GLN 18 1HG GLN 18 6.286 -12.818 -4.205 740 1HE2 GLN 18 1HE2 GLN 18 5.044 -13.224 -2.468 741 2HE2 GLN 18 2HE2 GLN 18 4.562 -14.810 -1.987 742 H LYS 19 H LYS 19 5.917 -16.290 -5.727 743 HA LYS 19 HA LYS 19 3.641 -16.955 -7.141 744 1HB LYS 19 2HB LYS 19 4.969 -18.206 -4.773 745 2HB LYS 19 1HB LYS 19 3.510 -18.895 -5.467 746 1HG LYS 19 2HG LYS 19 6.051 -18.389 -6.999 747 2HG LYS 19 1HG LYS 19 5.588 -19.937 -6.291 748 1HD LYS 19 2HD LYS 19 3.517 -19.890 -7.663 749 2HD LYS 19 1HD LYS 19 4.103 -18.412 -8.430 750 1HE LYS 19 2HE LYS 19 6.005 -19.572 -9.336 751 2HE LYS 19 1HE LYS 19 5.589 -21.035 -8.443 752 1HZ LYS 19 1HZ LYS 19 3.516 -21.141 -9.734 753 2HZ LYS 19 2HZ LYS 19 4.896 -21.260 -10.708 754 3HZ LYS 19 3HZ LYS 19 4.026 -19.804 -10.652 755 H VAL 20 H VAL 20 1.587 -17.135 -6.812 756 HA VAL 20 HA VAL 20 0.352 -16.612 -4.208 757 HB VAL 20 HB VAL 20 -0.969 -15.589 -6.673 758 1HG1 VAL 20 1HG1 VAL 20 -1.197 -14.812 -3.782 759 2HG1 VAL 20 2HG1 VAL 20 -2.298 -15.866 -4.672 760 3HG1 VAL 20 3HG1 VAL 20 -2.164 -14.161 -5.106 761 1HG2 VAL 20 1HG2 VAL 20 1.186 -14.431 -6.647 762 2HG2 VAL 20 2HG2 VAL 20 0.904 -13.945 -4.975 763 3HG2 VAL 20 3HG2 VAL 20 -0.131 -13.324 -6.261 764 H ASP 21 H ASP 21 -1.088 -18.006 -3.731 765 HA ASP 21 HA ASP 21 -2.380 -19.444 -5.890 766 1HB ASP 21 2HB ASP 21 -2.389 -21.414 -4.466 767 2HB ASP 21 1HB ASP 21 -0.772 -20.880 -4.825 768 H LEU 22 H LEU 22 -3.914 -17.940 -5.809 769 HA LEU 22 HA LEU 22 -5.871 -18.306 -3.636 770 1HB LEU 22 2HB LEU 22 -5.147 -15.831 -5.184 771 2HB LEU 22 1HB LEU 22 -6.595 -15.966 -4.226 772 HG LEU 22 HG LEU 22 -3.767 -16.110 -3.199 773 1HD1 LEU 22 1HD1 LEU 22 -4.490 -13.859 -3.820 774 2HD1 LEU 22 2HD1 LEU 22 -4.308 -14.019 -2.074 775 3HD1 LEU 22 3HD1 LEU 22 -5.916 -14.031 -2.796 776 1HD2 LEU 22 1HD2 LEU 22 -5.223 -17.599 -1.938 777 2HD2 LEU 22 2HD2 LEU 22 -6.376 -16.287 -1.695 778 3HD2 LEU 22 3HD2 LEU 22 -4.770 -16.197 -0.971 779 H LYS 23 H LYS 23 -8.022 -17.051 -4.679 780 HA LYS 23 HA LYS 23 -8.754 -18.755 -6.924 781 1HB LYS 23 2HB LYS 23 -10.560 -16.763 -5.575 782 2HB LYS 23 1HB LYS 23 -10.991 -18.240 -6.411 783 1HG LYS 23 2HG LYS 23 -9.943 -19.524 -4.564 784 2HG LYS 23 1HG LYS 23 -9.713 -17.995 -3.707 785 1HD LYS 23 2HD LYS 23 -12.211 -17.629 -4.012 786 2HD LYS 23 1HD LYS 23 -12.298 -19.325 -4.490 787 1HE LYS 23 2HE LYS 23 -12.794 -19.356 -2.215 788 2HE LYS 23 1HE LYS 23 -11.097 -19.817 -2.288 789 1HZ LYS 23 1HZ LYS 23 -10.507 -17.503 -1.756 790 2HZ LYS 23 2HZ LYS 23 -11.462 -18.218 -0.541 791 3HZ LYS 23 3HZ LYS 23 -12.156 -17.122 -1.625 792 H GLU 24 H GLU 24 -10.454 -17.431 -8.437 793 HA GLU 24 HA GLU 24 -9.115 -14.948 -9.196 794 1HB GLU 24 2HB GLU 24 -10.950 -15.366 -11.153 795 2HB GLU 24 1HB GLU 24 -9.276 -15.881 -11.220 796 1HG GLU 24 2HG GLU 24 -10.616 -17.680 -11.906 797 2HG GLU 24 1HG GLU 24 -10.001 -18.080 -10.309 798 H GLY 25 H GLY 25 -9.975 -13.105 -8.739 799 1HA GLY 25 2HA GLY 25 -11.704 -11.539 -8.348 800 2HA GLY 25 1HA GLY 25 -12.844 -12.873 -8.223 801 H GLU 26 H GLU 26 -9.928 -13.348 -6.518 802 HA GLU 26 HA GLU 26 -11.171 -13.654 -4.042 803 1HB GLU 26 2HB GLU 26 -9.039 -14.686 -4.820 804 2HB GLU 26 1HB GLU 26 -8.259 -13.121 -4.642 805 1HG GLU 26 2HG GLU 26 -7.785 -14.517 -2.765 806 2HG GLU 26 1HG GLU 26 -8.768 -13.144 -2.270 807 H ARG 27 H ARG 27 -11.343 -12.302 -2.253 808 HA ARG 27 HA ARG 27 -11.187 -9.485 -2.927 809 1HB ARG 27 2HB ARG 27 -13.219 -10.584 -1.911 810 2HB ARG 27 1HB ARG 27 -12.330 -10.611 -0.396 811 1HG ARG 27 2HG ARG 27 -13.753 -8.678 -0.456 812 2HG ARG 27 1HG ARG 27 -12.068 -8.160 -0.575 813 1HD ARG 27 2HD ARG 27 -12.954 -6.916 -2.262 814 2HD ARG 27 1HD ARG 27 -12.555 -8.370 -3.160 815 HE ARG 27 HE ARG 27 -15.219 -7.448 -2.419 816 1HH1 ARG 27 1HH1 ARG 27 -13.269 -9.978 -3.870 817 2HH1 ARG 27 2HH1 ARG 27 -14.598 -10.666 -4.752 818 1HH2 ARG 27 1HH2 ARG 27 -16.944 -8.308 -3.631 819 2HH2 ARG 27 2HH2 ARG 27 -16.663 -9.695 -4.648 820 H VAL 28 H VAL 28 -9.619 -8.340 -2.426 821 HA VAL 28 HA VAL 28 -7.990 -8.928 -0.052 822 HB VAL 28 HB VAL 28 -5.932 -8.505 -1.299 823 1HG1 VAL 28 1HG1 VAL 28 -6.697 -10.815 -1.168 824 2HG1 VAL 28 2HG1 VAL 28 -5.861 -10.514 -2.692 825 3HG1 VAL 28 3HG1 VAL 28 -7.622 -10.602 -2.655 826 1HG2 VAL 28 1HG2 VAL 28 -7.683 -8.313 -3.747 827 2HG2 VAL 28 2HG2 VAL 28 -5.919 -8.280 -3.730 828 3HG2 VAL 28 3HG2 VAL 28 -6.836 -6.971 -2.979 829 H LYS 29 H LYS 29 -6.646 -7.094 0.622 830 HA LYS 29 HA LYS 29 -7.634 -4.509 -0.371 831 1HB LYS 29 2HB LYS 29 -6.870 -5.385 2.385 832 2HB LYS 29 1HB LYS 29 -6.719 -3.706 1.915 833 1HG LYS 29 2HG LYS 29 -9.111 -3.703 1.303 834 2HG LYS 29 1HG LYS 29 -9.230 -5.351 1.925 835 1HD LYS 29 2HD LYS 29 -8.441 -4.540 4.114 836 2HD LYS 29 1HD LYS 29 -8.439 -2.895 3.480 837 1HE LYS 29 2HE LYS 29 -10.469 -3.458 4.802 838 2HE LYS 29 1HE LYS 29 -10.811 -2.955 3.146 839 1HZ LYS 29 1HZ LYS 29 -12.039 -4.969 4.016 840 2HZ LYS 29 2HZ LYS 29 -10.559 -5.810 3.888 841 3HZ LYS 29 3HZ LYS 29 -11.276 -5.134 2.516 842 H ILE 30 H ILE 30 -6.162 -2.945 -0.710 843 HA ILE 30 HA ILE 30 -3.347 -3.807 -0.899 844 HB ILE 30 HB ILE 30 -4.288 -1.288 -2.137 845 1HG1 ILE 30 2HG1 ILE 30 -4.738 -3.979 -3.421 846 2HG1 ILE 30 1HG1 ILE 30 -6.009 -2.962 -2.757 847 1HG2 ILE 30 1HG2 ILE 30 -2.310 -3.403 -2.935 848 2HG2 ILE 30 2HG2 ILE 30 -1.955 -1.827 -2.224 849 3HG2 ILE 30 3HG2 ILE 30 -2.633 -1.928 -3.849 850 1HD1 ILE 30 1HD1 ILE 30 -4.235 -2.301 -5.087 851 2HD1 ILE 30 2HD1 ILE 30 -5.469 -1.242 -4.408 852 3HD1 ILE 30 3HD1 ILE 30 -5.933 -2.770 -5.156 853 H LYS 31 H LYS 31 -2.005 -2.918 0.399 854 HA LYS 31 HA LYS 31 -2.595 -0.279 1.442 855 1HB LYS 31 2HB LYS 31 -1.132 -1.098 3.440 856 2HB LYS 31 1HB LYS 31 -2.868 -1.366 3.410 857 1HG LYS 31 2HG LYS 31 -2.202 -3.566 2.239 858 2HG LYS 31 1HG LYS 31 -0.646 -3.267 3.005 859 1HD LYS 31 2HD LYS 31 -1.608 -3.228 5.158 860 2HD LYS 31 1HD LYS 31 -3.239 -3.174 4.497 861 1HE LYS 31 2HE LYS 31 -2.857 -5.445 3.540 862 2HE LYS 31 1HE LYS 31 -1.311 -5.491 4.388 863 1HZ LYS 31 1HZ LYS 31 -3.981 -5.215 5.670 864 2HZ LYS 31 2HZ LYS 31 -2.496 -5.254 6.486 865 3HZ LYS 31 3HZ LYS 31 -3.039 -6.615 5.646 866 H LEU 32 H LEU 32 -1.015 1.047 1.537 867 HA LEU 32 HA LEU 32 0.972 0.428 -0.503 868 1HB LEU 32 2HB LEU 32 -0.742 1.937 -1.166 869 2HB LEU 32 1HB LEU 32 -0.554 2.875 0.296 870 HG LEU 32 HG LEU 32 1.566 3.705 -0.472 871 1HD1 LEU 32 1HD1 LEU 32 1.046 2.113 -2.982 872 2HD1 LEU 32 2HD1 LEU 32 2.297 1.765 -1.787 873 3HD1 LEU 32 3HD1 LEU 32 2.370 3.252 -2.733 874 1HD2 LEU 32 1HD2 LEU 32 -0.675 3.910 -2.473 875 2HD2 LEU 32 2HD2 LEU 32 0.689 5.032 -2.360 876 3HD2 LEU 32 3HD2 LEU 32 -0.459 4.901 -1.028 877 H GLU 33 H GLU 33 3.111 0.814 -0.129 878 HA GLU 33 HA GLU 33 3.661 1.389 2.672 879 1HB GLU 33 2HB GLU 33 4.422 -0.743 1.699 880 2HB GLU 33 1HB GLU 33 5.496 0.154 0.639 881 1HG GLU 33 2HG GLU 33 6.667 -0.731 2.543 882 2HG GLU 33 1HG GLU 33 6.680 1.028 2.573 883 H LEU 34 H LEU 34 4.982 2.825 3.368 884 HA LEU 34 HA LEU 34 6.682 4.435 1.707 885 1HB LEU 34 2HB LEU 34 4.153 5.489 2.891 886 2HB LEU 34 1HB LEU 34 5.558 6.527 2.820 887 HG LEU 34 HG LEU 34 4.406 5.143 0.426 888 1HD1 LEU 34 1HD1 LEU 34 2.726 6.646 1.307 889 2HD1 LEU 34 2HD1 LEU 34 3.429 7.329 -0.160 890 3HD1 LEU 34 3HD1 LEU 34 3.916 7.945 1.420 891 1HD2 LEU 34 1HD2 LEU 34 5.717 6.787 -0.822 892 2HD2 LEU 34 2HD2 LEU 34 6.738 5.786 0.209 893 3HD2 LEU 34 3HD2 LEU 34 6.340 7.434 0.695 894 H LYS 35 H LYS 35 7.965 5.902 3.026 895 HA LYS 35 HA LYS 35 8.127 5.013 5.820 896 1HB LYS 35 2HB LYS 35 10.017 4.465 3.742 897 2HB LYS 35 1HB LYS 35 10.758 5.547 4.908 898 1HG LYS 35 2HG LYS 35 11.201 3.212 5.448 899 2HG LYS 35 1HG LYS 35 10.252 3.999 6.709 900 1HD LYS 35 2HD LYS 35 8.214 2.992 5.812 901 2HD LYS 35 1HD LYS 35 9.150 2.219 4.533 902 1HE LYS 35 2HE LYS 35 9.582 1.745 7.479 903 2HE LYS 35 1HE LYS 35 8.589 0.722 6.443 904 1HZ LYS 35 1HZ LYS 35 10.900 -0.077 6.790 905 2HZ LYS 35 2HZ LYS 35 11.460 1.270 5.924 906 3HZ LYS 35 3HZ LYS 35 10.471 0.124 5.162 907 H VAL 36 H VAL 36 9.925 6.443 6.927 908 HA VAL 36 HA VAL 36 8.895 9.112 6.806 909 HB VAL 36 HB VAL 36 9.446 8.185 8.963 910 1HG1 VAL 36 1HG1 VAL 36 11.241 6.674 8.341 911 2HG1 VAL 36 2HG1 VAL 36 11.769 7.738 9.644 912 3HG1 VAL 36 3HG1 VAL 36 12.297 8.042 7.989 913 1HG2 VAL 36 1HG2 VAL 36 10.810 9.992 9.888 914 2HG2 VAL 36 2HG2 VAL 36 9.630 10.595 8.724 915 3HG2 VAL 36 3HG2 VAL 36 11.324 10.433 8.260 916 H GLU 37 H GLU 37 9.887 10.938 6.170 917 HA GLU 37 HA GLU 37 11.926 10.615 4.143 918 1HB GLU 37 2HB GLU 37 10.294 12.992 5.049 919 2HB GLU 37 1HB GLU 37 11.384 12.982 3.681 920 1HG GLU 37 2HG GLU 37 9.982 11.776 2.372 921 2HG GLU 37 1HG GLU 37 9.269 10.927 3.744 922 HA PRO 38 HA PRO 38 15.181 11.954 6.861 923 1HB PRO 38 2HB PRO 38 17.032 12.552 4.965 924 2HB PRO 38 1HB PRO 38 16.640 10.894 5.435 925 1HG PRO 38 2HG PRO 38 15.694 12.469 3.076 926 2HG PRO 38 1HG PRO 38 16.212 10.775 3.155 927 1HD PRO 38 2HD PRO 38 13.600 11.502 3.110 928 2HD PRO 38 1HD PRO 38 14.175 10.059 3.967 929 H ILE 39 H ILE 39 16.707 13.908 6.986 930 HA ILE 39 HA ILE 39 15.113 16.283 6.484 931 HB ILE 39 HB ILE 39 16.822 17.388 7.946 932 1HG1 ILE 39 2HG1 ILE 39 17.749 14.548 8.404 933 2HG1 ILE 39 1HG1 ILE 39 18.656 15.787 7.536 934 1HG2 ILE 39 1HG2 ILE 39 14.696 16.658 8.848 935 2HG2 ILE 39 2HG2 ILE 39 15.976 16.376 10.029 936 3HG2 ILE 39 3HG2 ILE 39 15.334 15.031 9.086 937 1HD1 ILE 39 1HD1 ILE 39 17.875 15.882 10.445 938 2HD1 ILE 39 2HD1 ILE 39 18.801 17.106 9.580 939 3HD1 ILE 39 3HD1 ILE 39 19.474 15.493 9.812 940 H ASP 40 H ASP 40 15.833 18.034 5.307 941 HA ASP 40 HA ASP 40 17.902 17.524 3.376 942 1HB ASP 40 2HB ASP 40 17.118 19.630 2.395 943 2HB ASP 40 1HB ASP 40 15.793 18.515 2.660 944 H LEU 41 H LEU 41 19.098 19.848 2.874 945 HA LEU 41 HA LEU 41 20.759 20.161 5.248 946 1HB LEU 41 2HB LEU 41 21.179 20.984 2.376 947 2HB LEU 41 1HB LEU 41 22.302 21.365 3.664 948 HG LEU 41 HG LEU 41 22.443 18.825 4.046 949 1HD1 LEU 41 1HD1 LEU 41 21.985 17.448 2.082 950 2HD1 LEU 41 2HD1 LEU 41 21.294 18.843 1.256 951 3HD1 LEU 41 3HD1 LEU 41 20.508 18.192 2.694 952 1HD2 LEU 41 1HD2 LEU 41 24.137 18.603 2.280 953 2HD2 LEU 41 2HD2 LEU 41 24.262 20.139 3.137 954 3HD2 LEU 41 3HD2 LEU 41 23.533 20.081 1.532 955 H GLY 42 H GLY 42 21.199 22.084 6.239 956 1HA GLY 42 2HA GLY 42 19.327 24.267 5.614 957 2HA GLY 42 1HA GLY 42 20.096 23.995 7.169 958 H GLU 43 H GLU 43 21.500 25.512 7.620 959 HA GLU 43 HA GLU 43 22.921 26.829 5.440 960 1HB GLU 43 2HB GLU 43 23.351 28.616 7.015 961 2HB GLU 43 1HB GLU 43 21.638 28.266 6.970 962 1HG GLU 43 2HG GLU 43 23.484 27.194 9.087 963 2HG GLU 43 1HG GLU 43 22.617 28.722 9.236 964 HA PRO 44 HA PRO 44 26.793 25.161 6.942 965 1HB PRO 44 2HB PRO 44 28.317 27.116 5.548 966 2HB PRO 44 1HB PRO 44 27.887 25.500 4.989 967 1HG PRO 44 2HG PRO 44 26.983 27.878 3.877 968 2HG PRO 44 1HG PRO 44 26.234 26.288 3.649 969 1HD PRO 44 2HD PRO 44 25.462 28.503 5.511 970 2HD PRO 44 1HD PRO 44 24.428 27.388 4.589 971 H VAL 45 H VAL 45 29.132 26.643 7.291 972 HA VAL 45 HA VAL 45 28.414 28.422 9.532 973 HB VAL 45 HB VAL 45 31.046 26.979 9.290 974 1HG1 VAL 45 1HG1 VAL 45 31.125 27.339 11.721 975 2HG1 VAL 45 2HG1 VAL 45 29.578 28.182 11.627 976 3HG1 VAL 45 3HG1 VAL 45 30.996 28.852 10.822 977 1HG2 VAL 45 1HG2 VAL 45 29.319 25.263 9.286 978 2HG2 VAL 45 2HG2 VAL 45 28.583 25.990 10.714 979 3HG2 VAL 45 3HG2 VAL 45 30.188 25.269 10.821 980 H SER 46 H SER 46 29.893 30.237 9.885 981 HA SER 46 HA SER 46 30.526 31.549 7.434 982 1HB SER 46 2HB SER 46 31.159 32.416 10.255 983 2HB SER 46 1HB SER 46 31.031 33.444 8.833 984 HG SER 46 HG SER 46 29.129 33.531 10.070 985 H VAL 47 H VAL 47 32.671 32.779 7.292 986 HA VAL 47 HA VAL 47 34.794 30.797 7.393 987 HB VAL 47 HB VAL 47 34.502 32.079 5.336 988 1HG1 VAL 47 1HG1 VAL 47 33.603 34.136 6.232 989 2HG1 VAL 47 2HG1 VAL 47 35.025 34.483 5.247 990 3HG1 VAL 47 3HG1 VAL 47 35.143 34.508 7.008 991 1HG2 VAL 47 1HG2 VAL 47 36.793 32.856 4.996 992 2HG2 VAL 47 2HG2 VAL 47 36.738 31.307 5.835 993 3HG2 VAL 47 3HG2 VAL 47 37.076 32.785 6.737 994 H GLU 48 H GLU 48 36.627 30.891 8.596 995 HA GLU 48 HA GLU 48 36.443 32.548 10.982 996 1HB GLU 48 2HB GLU 48 38.122 31.024 11.893 997 2HB GLU 48 1HB GLU 48 36.770 30.141 11.202 998 1HG GLU 48 2HG GLU 48 38.112 29.758 9.162 999 2HG GLU 48 1HG GLU 48 39.472 30.551 9.953 1000 H GLU 49 H GLU 49 38.258 32.397 8.107 1001 HA GLU 49 HA GLU 49 40.794 33.181 8.964 1002 1HB GLU 49 2HB GLU 49 40.238 32.244 6.725 1003 2HB GLU 49 1HB GLU 49 39.540 33.800 6.293 1004 1HG GLU 49 2HG GLU 49 41.781 34.825 6.758 1005 2HG GLU 49 1HG GLU 49 42.418 33.188 6.913 1006 H ILE 50 H ILE 50 37.961 35.083 8.469 1007 HA ILE 50 HA ILE 50 39.463 37.572 8.253 1008 HB ILE 50 HB ILE 50 36.455 37.299 8.338 1009 1HG1 ILE 50 2HG1 ILE 50 38.269 37.156 5.917 1010 2HG1 ILE 50 1HG1 ILE 50 37.366 35.808 6.595 1011 1HG2 ILE 50 1HG2 ILE 50 38.280 39.366 7.110 1012 2HG2 ILE 50 2HG2 ILE 50 37.337 39.562 8.586 1013 3HG2 ILE 50 3HG2 ILE 50 36.517 39.379 7.035 1014 1HD1 ILE 50 1HD1 ILE 50 36.273 36.712 4.625 1015 2HD1 ILE 50 2HD1 ILE 50 36.172 38.294 5.397 1016 3HD1 ILE 50 3HD1 ILE 50 35.273 36.929 6.061 1017 H LYS 51 H LYS 51 38.680 35.671 10.749 1018 HA LYS 51 HA LYS 51 37.983 37.916 12.516 1019 1HB LYS 51 2HB LYS 51 36.541 35.669 12.197 1020 2HB LYS 51 1HB LYS 51 37.628 35.125 13.468 1021 1HG LYS 51 2HG LYS 51 36.754 36.540 15.022 1022 2HG LYS 51 1HG LYS 51 36.279 37.746 13.824 1023 1HD LYS 51 2HD LYS 51 34.495 36.189 13.053 1024 2HD LYS 51 1HD LYS 51 34.928 35.103 14.377 1025 1HE LYS 51 2HE LYS 51 34.258 36.679 16.011 1026 2HE LYS 51 1HE LYS 51 34.156 37.975 14.821 1027 1HZ LYS 51 1HZ LYS 51 31.968 37.150 15.428 1028 2HZ LYS 51 2HZ LYS 51 32.389 35.590 14.923 1029 3HZ LYS 51 3HZ LYS 51 32.294 36.849 13.789 1030 H LYS 52 H LYS 52 38.668 36.189 14.875 1031 HA LYS 52 HA LYS 52 40.311 36.166 16.378 1032 1HB LYS 52 2HB LYS 52 41.005 34.439 14.634 1033 2HB LYS 52 1HB LYS 52 42.183 35.628 14.119 1034 1HG LYS 52 2HG LYS 52 43.548 35.062 15.770 1035 2HG LYS 52 1HG LYS 52 42.272 35.322 16.962 1036 1HD LYS 52 2HD LYS 52 42.888 32.811 15.425 1037 2HD LYS 52 1HD LYS 52 42.913 33.069 17.164 1038 1HE LYS 52 2HE LYS 52 40.529 33.286 17.245 1039 2HE LYS 52 1HE LYS 52 40.426 33.236 15.487 1040 1HZ LYS 52 1HZ LYS 52 41.316 30.962 15.575 1041 2HZ LYS 52 2HZ LYS 52 39.835 31.110 16.393 1042 3HZ LYS 52 3HZ LYS 52 41.282 31.016 17.272 1043 H ILE 53 H ILE 53 41.109 37.846 17.411 1044 HA ILE 53 HA ILE 53 41.795 40.218 15.880 1045 HB ILE 53 HB ILE 53 41.470 39.864 18.866 1046 1HG1 ILE 53 2HG1 ILE 53 39.452 41.428 18.347 1047 2HG1 ILE 53 1HG1 ILE 53 39.638 40.855 16.696 1048 1HG2 ILE 53 1HG2 ILE 53 41.895 42.376 17.250 1049 2HG2 ILE 53 2HG2 ILE 53 43.026 41.663 18.401 1050 3HG2 ILE 53 3HG2 ILE 53 41.492 42.327 18.965 1051 1HD1 ILE 53 1HD1 ILE 53 39.084 39.151 19.117 1052 2HD1 ILE 53 2HD1 ILE 53 39.313 38.549 17.475 1053 3HD1 ILE 53 3HD1 ILE 53 37.935 39.584 17.850 1054 H ARG 54 H ARG 54 43.817 40.110 15.114 1055 HA ARG 54 HA ARG 54 45.947 40.443 17.007 1056 1HB ARG 54 2HB ARG 54 45.919 38.000 16.755 1057 2HB ARG 54 1HB ARG 54 46.034 38.177 15.008 1058 1HG ARG 54 2HG ARG 54 48.220 39.196 15.227 1059 2HG ARG 54 1HG ARG 54 48.094 39.105 16.982 1060 1HD ARG 54 2HD ARG 54 49.482 37.296 16.027 1061 2HD ARG 54 1HD ARG 54 48.074 36.689 16.898 1062 HE ARG 54 HE ARG 54 47.115 36.027 14.870 1063 1HH1 ARG 54 1HH1 ARG 54 50.268 37.520 14.400 1064 2HH1 ARG 54 2HH1 ARG 54 50.429 36.932 12.769 1065 1HH2 ARG 54 1HH2 ARG 54 47.353 35.262 12.726 1066 2HH2 ARG 54 2HH2 ARG 54 48.778 35.669 11.821 1067 H ASP 55 H ASP 55 46.940 42.195 16.282 1068 HA ASP 55 HA ASP 55 47.336 42.510 13.375 1069 1HB ASP 55 2HB ASP 55 45.597 44.066 14.155 1070 2HB ASP 55 1HB ASP 55 46.691 44.690 15.383 1071 H GLY 56 H GLY 56 49.183 44.047 12.895 1072 1HA GLY 56 2HA GLY 56 51.537 43.178 14.206 1073 2HA GLY 56 1HA GLY 56 51.431 44.509 13.060 1074 H THR 57 H THR 57 49.537 46.044 14.536 1075 HA THR 57 HA THR 57 49.353 47.612 16.144 1076 HB THR 57 HB THR 57 51.305 45.905 17.663 1077 HG1 THR 57 HG1 THR 57 49.151 45.026 16.906 1078 1HG2 THR 57 1HG2 THR 57 49.338 47.963 18.675 1079 2HG2 THR 57 2HG2 THR 57 51.088 48.170 18.608 1080 3HG2 THR 57 3HG2 THR 57 50.385 46.954 19.674 1081 H TRP 58 H TRP 58 50.353 49.544 16.792 1082 HA TRP 58 HA TRP 58 52.948 50.012 15.522 1083 1HB TRP 58 2HB TRP 58 50.612 51.462 15.437 1084 2HB TRP 58 1HB TRP 58 51.546 52.332 16.651 1085 HD1 TRP 58 HD1 TRP 58 52.263 50.897 13.109 1086 HE1 TRP 58 HE1 TRP 58 53.666 52.628 11.818 1087 HE3 TRP 58 HE3 TRP 58 52.670 54.466 16.742 1088 HZ2 TRP 58 HZ2 TRP 58 54.785 55.173 12.284 1089 HZ3 TRP 58 HZ3 TRP 58 53.920 56.524 16.238 1090 HH2 TRP 58 HH2 TRP 58 54.957 56.870 14.052 1091 H MET 59 H MET 59 54.101 51.988 16.864 1092 HA MET 59 HA MET 59 54.200 51.189 19.677 1093 1HB MET 59 2HB MET 59 56.644 50.850 19.577 1094 2HB MET 59 1HB MET 59 55.766 49.677 18.603 1095 1HG MET 59 2HG MET 59 56.268 51.030 16.593 1096 2HG MET 59 1HG MET 59 57.229 52.111 17.603 1097 1HE MET 59 1HE MET 59 59.289 51.777 15.977 1098 2HE MET 59 2HE MET 59 58.333 50.681 14.977 1099 3HE MET 59 3HE MET 59 59.936 50.198 15.533 1100 H SER 60 H SER 60 55.370 52.628 21.028 1101 HA SER 60 HA SER 60 56.310 54.543 21.758 1102 1HB SER 60 2HB SER 60 57.846 54.441 19.849 1103 2HB SER 60 1HB SER 60 56.658 55.274 18.849 1104 HG SER 60 HG SER 60 58.493 56.331 20.463 1105 H SER 61 H SER 61 55.430 56.302 22.597 1106 HA SER 61 HA SER 61 53.109 57.501 21.244 1107 1HB SER 61 2HB SER 61 53.996 57.804 24.130 1108 2HB SER 61 1HB SER 61 52.492 58.400 23.429 1109 HG SER 61 HG SER 61 53.150 55.658 23.331 1110 H LEU 62 H LEU 62 56.049 57.863 20.775 1111 HA LEU 62 HA LEU 62 57.561 59.410 20.285 1112 1HB LEU 62 2HB LEU 62 55.161 61.177 20.558 1113 2HB LEU 62 1HB LEU 62 56.753 61.836 20.302 1114 HG LEU 62 HG LEU 62 56.909 60.391 18.225 1115 1HD1 LEU 62 1HD1 LEU 62 55.124 58.831 18.755 1116 2HD1 LEU 62 2HD1 LEU 62 54.806 59.659 17.232 1117 3HD1 LEU 62 3HD1 LEU 62 53.946 60.143 18.693 1118 1HD2 LEU 62 1HD2 LEU 62 55.624 61.959 16.867 1119 2HD2 LEU 62 2HD2 LEU 62 56.537 62.791 18.129 1120 3HD2 LEU 62 3HD2 LEU 62 54.802 62.537 18.317 1121 H GLU 63 H GLU 63 58.431 61.704 21.276 1122 HA GLU 63 HA GLU 63 58.664 61.118 24.147 1123 1HB GLU 63 2HB GLU 63 60.591 60.264 22.848 1124 2HB GLU 63 1HB GLU 63 60.915 61.901 22.298 1125 1HG GLU 63 2HG GLU 63 61.376 62.612 24.561 1126 2HG GLU 63 1HG GLU 63 60.943 61.017 25.174 1127 H HIS 64 H HIS 64 58.116 62.747 25.369 1128 HA HIS 64 HA HIS 64 58.296 65.494 24.374 1129 1HB HIS 64 2HB HIS 64 56.176 64.693 25.442 1130 2HB HIS 64 1HB HIS 64 57.063 64.431 26.936 1131 HD1 HIS 64 HD1 HIS 64 56.716 66.237 28.551 1132 HD2 HIS 64 HD2 HIS 64 56.457 67.618 24.642 1133 HE1 HIS 64 HE1 HIS 64 56.155 68.682 28.736 1134 HE2 HIS 64 HE2 HIS 64 55.695 69.394 26.361 1135 H HIS 65 H HIS 65 60.641 65.402 24.444 1136 HA HIS 65 HA HIS 65 61.908 64.941 27.039 1137 1HB HIS 65 2HB HIS 65 62.592 63.966 24.687 1138 2HB HIS 65 1HB HIS 65 63.425 65.506 24.520 1139 HD1 HIS 65 HD1 HIS 65 64.579 62.483 24.848 1140 HD2 HIS 65 HD2 HIS 65 64.696 65.586 27.619 1141 HE1 HIS 65 HE1 HIS 65 66.509 61.958 26.377 1142 HE2 HIS 65 HE2 HIS 65 66.654 63.921 27.943 1143 H HIS 66 H HIS 66 60.785 67.581 25.317 1144 HA HIS 66 HA HIS 66 63.025 69.296 26.092 1145 1HB HIS 66 2HB HIS 66 62.266 69.406 23.729 1146 2HB HIS 66 1HB HIS 66 60.690 69.962 24.286 1147 HD1 HIS 66 HD1 HIS 66 60.462 72.410 24.972 1148 HD2 HIS 66 HD2 HIS 66 64.359 71.315 23.989 1149 HE1 HIS 66 HE1 HIS 66 61.762 74.558 24.828 1150 HE2 HIS 66 HE2 HIS 66 64.076 73.889 24.103 1151 H HIS 67 H HIS 67 62.913 70.543 27.793 1152 HA HIS 67 HA HIS 67 60.371 71.835 28.481 1153 1HB HIS 67 2HB HIS 67 62.277 70.586 30.485 1154 2HB HIS 67 1HB HIS 67 60.924 71.627 30.901 1155 HD1 HIS 67 HD1 HIS 67 61.805 68.144 30.078 1156 HD2 HIS 67 HD2 HIS 67 58.355 70.427 30.515 1157 HE1 HIS 67 HE1 HIS 67 59.917 66.491 30.285 1158 HE2 HIS 67 HE2 HIS 67 57.883 67.894 30.790 1159 H HIS 68 H HIS 68 60.756 73.963 28.227 1160 HA HIS 68 HA HIS 68 63.441 74.962 28.135 1161 1HB HIS 68 2HB HIS 68 61.751 75.943 26.687 1162 2HB HIS 68 1HB HIS 68 60.793 76.428 28.082 1163 HD1 HIS 68 HD1 HIS 68 64.396 77.033 26.951 1164 HD2 HIS 68 HD2 HIS 68 61.151 79.055 28.603 1165 HE1 HIS 68 HE1 HIS 68 65.154 79.415 27.248 1166 HE2 HIS 68 HE2 HIS 68 63.205 80.605 28.308 1167 H HIS 69 H HIS 69 60.761 76.234 30.078 1168 HA HIS 69 HA HIS 69 61.891 75.912 32.605 1169 1HB HIS 69 2HB HIS 69 63.042 78.119 31.107 1170 2HB HIS 69 1HB HIS 69 62.177 78.719 32.518 1171 HD1 HIS 69 HD1 HIS 69 62.910 77.455 34.849 1172 HD2 HIS 69 HD2 HIS 69 65.569 77.294 31.653 1173 HE1 HIS 69 HE1 HIS 69 65.144 76.879 35.851 1174 HE2 HIS 69 HE2 HIS 69 66.693 76.601 33.883 Start of MODEL 20 1 1H MET 1 1H MET 1 -2.071 8.419 8.444 2 2H MET 1 2H MET 1 -2.177 8.948 6.836 3 3H MET 1 3H MET 1 -1.358 7.515 7.208 4 HA MET 1 HA MET 1 -3.364 6.464 7.927 5 1HB MET 1 2HB MET 1 -5.542 7.623 7.528 6 2HB MET 1 1HB MET 1 -4.574 8.331 8.815 7 1HG MET 1 2HG MET 1 -3.903 10.140 7.370 8 2HG MET 1 1HG MET 1 -4.723 9.392 5.998 9 1HE MET 1 1HE MET 1 -7.402 8.319 7.335 10 2HE MET 1 2HE MET 1 -7.363 9.165 5.789 11 3HE MET 1 3HE MET 1 -8.490 9.676 7.048 12 HA PRO 2 HA PRO 2 -3.526 5.740 3.469 13 1HB PRO 2 2HB PRO 2 -2.338 3.307 3.501 14 2HB PRO 2 1HB PRO 2 -1.413 4.809 3.432 15 1HG PRO 2 2HG PRO 2 -1.710 2.902 5.640 16 2HG PRO 2 1HG PRO 2 -0.482 4.150 5.398 17 1HD PRO 2 2HD PRO 2 -2.841 4.238 7.065 18 2HD PRO 2 1HD PRO 2 -1.549 5.445 6.914 19 H LYS 3 H LYS 3 -5.561 5.132 2.943 20 HA LYS 3 HA LYS 3 -6.890 3.095 4.527 21 1HB LYS 3 2HB LYS 3 -8.025 5.234 3.817 22 2HB LYS 3 1HB LYS 3 -8.023 4.624 2.176 23 1HG LYS 3 2HG LYS 3 -9.240 2.974 4.337 24 2HG LYS 3 1HG LYS 3 -10.117 4.379 3.735 25 1HD LYS 3 2HD LYS 3 -10.090 3.487 1.492 26 2HD LYS 3 1HD LYS 3 -9.062 2.146 2.002 27 1HE LYS 3 2HE LYS 3 -10.858 1.349 3.479 28 2HE LYS 3 1HE LYS 3 -11.883 2.678 2.940 29 1HZ LYS 3 1HZ LYS 3 -12.322 0.547 1.789 30 2HZ LYS 3 2HZ LYS 3 -10.764 0.609 1.129 31 3HZ LYS 3 3HZ LYS 3 -11.901 1.804 0.737 32 H ILE 4 H ILE 4 -7.629 1.173 3.706 33 HA ILE 4 HA ILE 4 -5.862 0.002 1.810 34 HB ILE 4 HB ILE 4 -7.028 -2.083 2.293 35 1HG1 ILE 4 2HG1 ILE 4 -9.284 -0.925 2.725 36 2HG1 ILE 4 1HG1 ILE 4 -8.855 -2.300 3.712 37 1HG2 ILE 4 1HG2 ILE 4 -5.163 -1.393 3.662 38 2HG2 ILE 4 2HG2 ILE 4 -6.348 -2.269 4.629 39 3HG2 ILE 4 3HG2 ILE 4 -6.252 -0.511 4.732 40 1HD1 ILE 4 1HD1 ILE 4 -8.002 -0.530 5.389 41 2HD1 ILE 4 2HD1 ILE 4 -9.730 -0.847 5.250 42 3HD1 ILE 4 3HD1 ILE 4 -9.034 0.569 4.469 43 H ILE 5 H ILE 5 -6.176 -0.420 -0.267 44 HA ILE 5 HA ILE 5 -8.740 0.305 -1.465 45 HB ILE 5 HB ILE 5 -6.338 -0.712 -2.969 46 1HG1 ILE 5 2HG1 ILE 5 -5.609 1.184 -1.560 47 2HG1 ILE 5 1HG1 ILE 5 -5.589 1.593 -3.269 48 1HG2 ILE 5 1HG2 ILE 5 -8.398 -0.621 -4.214 49 2HG2 ILE 5 2HG2 ILE 5 -7.288 0.617 -4.799 50 3HG2 ILE 5 3HG2 ILE 5 -8.635 1.066 -3.753 51 1HD1 ILE 5 1HD1 ILE 5 -6.452 3.423 -1.921 52 2HD1 ILE 5 2HD1 ILE 5 -7.729 2.377 -1.300 53 3HD1 ILE 5 3HD1 ILE 5 -7.690 2.801 -3.012 54 H GLU 6 H GLU 6 -9.922 -1.153 -2.731 55 HA GLU 6 HA GLU 6 -9.567 -3.930 -1.902 56 1HB GLU 6 2HB GLU 6 -12.022 -2.387 -2.768 57 2HB GLU 6 1HB GLU 6 -12.010 -4.104 -2.380 58 1HG GLU 6 2HG GLU 6 -11.942 -3.743 -0.165 59 2HG GLU 6 1HG GLU 6 -10.838 -2.378 -0.323 60 H ALA 7 H ALA 7 -9.196 -5.445 -3.393 61 HA ALA 7 HA ALA 7 -9.573 -4.804 -6.242 62 1HB ALA 7 1HB ALA 7 -7.287 -5.531 -6.753 63 2HB ALA 7 2HB ALA 7 -6.955 -5.740 -5.033 64 3HB ALA 7 3HB ALA 7 -7.287 -4.132 -5.679 65 H VAL 8 H VAL 8 -9.732 -6.651 -7.573 66 HA VAL 8 HA VAL 8 -9.876 -9.214 -6.175 67 HB VAL 8 HB VAL 8 -11.382 -9.890 -8.093 68 1HG1 VAL 8 1HG1 VAL 8 -12.225 -9.446 -5.847 69 2HG1 VAL 8 2HG1 VAL 8 -13.376 -8.904 -7.071 70 3HG1 VAL 8 3HG1 VAL 8 -12.357 -7.732 -6.234 71 1HG2 VAL 8 1HG2 VAL 8 -12.592 -8.085 -9.239 72 2HG2 VAL 8 2HG2 VAL 8 -10.875 -8.106 -9.645 73 3HG2 VAL 8 3HG2 VAL 8 -11.498 -6.913 -8.504 74 H TYR 9 H TYR 9 -8.263 -10.506 -6.644 75 HA TYR 9 HA TYR 9 -6.617 -10.286 -9.006 76 1HB TYR 9 2HB TYR 9 -5.710 -11.135 -6.899 77 2HB TYR 9 1HB TYR 9 -6.910 -12.416 -6.848 78 HD1 TYR 9 HD1 TYR 9 -6.494 -14.491 -7.866 79 HD2 TYR 9 HD2 TYR 9 -3.944 -11.194 -8.707 80 HE1 TYR 9 HE1 TYR 9 -4.907 -16.010 -8.969 81 HE2 TYR 9 HE2 TYR 9 -2.356 -12.700 -9.817 82 HH TYR 9 HH TYR 9 -3.126 -15.987 -10.540 83 H GLU 10 H GLU 10 -7.635 -10.550 -10.811 84 HA GLU 10 HA GLU 10 -9.330 -12.927 -11.239 85 1HB GLU 10 2HB GLU 10 -10.488 -10.697 -11.258 86 2HB GLU 10 1HB GLU 10 -9.483 -10.229 -12.613 87 1HG GLU 10 2HG GLU 10 -11.544 -10.868 -13.522 88 2HG GLU 10 1HG GLU 10 -10.441 -12.209 -13.839 89 H ASN 11 H ASN 11 -8.646 -14.243 -12.800 90 HA ASN 11 HA ASN 11 -7.570 -15.102 -14.613 91 1HB ASN 11 2HB ASN 11 -8.772 -12.965 -15.543 92 2HB ASN 11 1HB ASN 11 -7.138 -12.351 -15.705 93 1HD2 ASN 11 1HD2 ASN 11 -9.386 -14.804 -16.773 94 2HD2 ASN 11 2HD2 ASN 11 -8.518 -15.234 -18.202 95 H GLY 12 H GLY 12 -5.990 -14.053 -12.262 96 1HA GLY 12 2HA GLY 12 -3.709 -14.471 -11.845 97 2HA GLY 12 1HA GLY 12 -3.394 -14.334 -13.569 98 H VAL 13 H VAL 13 -5.367 -11.835 -12.501 99 HA VAL 13 HA VAL 13 -3.031 -10.014 -12.130 100 HB VAL 13 HB VAL 13 -5.730 -9.155 -13.054 101 1HG1 VAL 13 1HG1 VAL 13 -4.197 -7.437 -12.315 102 2HG1 VAL 13 2HG1 VAL 13 -4.508 -7.283 -14.042 103 3HG1 VAL 13 3HG1 VAL 13 -2.990 -7.980 -13.481 104 1HG2 VAL 13 1HG2 VAL 13 -3.525 -10.110 -14.889 105 2HG2 VAL 13 2HG2 VAL 13 -4.985 -9.270 -15.411 106 3HG2 VAL 13 3HG2 VAL 13 -5.104 -10.862 -14.665 107 H PHE 14 H PHE 14 -3.180 -8.627 -10.326 108 HA PHE 14 HA PHE 14 -5.658 -8.759 -8.793 109 1HB PHE 14 2HB PHE 14 -2.984 -7.474 -8.295 110 2HB PHE 14 1HB PHE 14 -4.386 -7.018 -7.348 111 HD1 PHE 14 HD1 PHE 14 -5.462 -8.643 -5.870 112 HD2 PHE 14 HD2 PHE 14 -1.850 -9.559 -7.923 113 HE1 PHE 14 HE1 PHE 14 -5.063 -10.519 -4.329 114 HE2 PHE 14 HE2 PHE 14 -1.449 -11.439 -6.383 115 HZ PHE 14 HZ PHE 14 -3.064 -11.921 -4.577 116 H LYS 15 H LYS 15 -7.258 -7.516 -9.424 117 HA LYS 15 HA LYS 15 -6.650 -4.926 -10.679 118 1HB LYS 15 2HB LYS 15 -8.791 -6.956 -11.258 119 2HB LYS 15 1HB LYS 15 -8.959 -5.277 -11.738 120 1HG LYS 15 2HG LYS 15 -6.810 -5.516 -12.992 121 2HG LYS 15 1HG LYS 15 -6.883 -7.247 -12.641 122 1HD LYS 15 2HD LYS 15 -8.981 -7.447 -13.813 123 2HD LYS 15 1HD LYS 15 -9.055 -5.699 -14.050 124 1HE LYS 15 2HE LYS 15 -6.932 -5.880 -15.363 125 2HE LYS 15 1HE LYS 15 -7.091 -7.634 -15.262 126 1HZ LYS 15 1HZ LYS 15 -9.247 -7.455 -16.371 127 2HZ LYS 15 2HZ LYS 15 -8.009 -6.811 -17.334 128 3HZ LYS 15 3HZ LYS 15 -9.055 -5.776 -16.495 129 HA PRO 16 HA PRO 16 -8.768 -3.497 -7.002 130 1HB PRO 16 2HB PRO 16 -8.944 -0.879 -7.913 131 2HB PRO 16 1HB PRO 16 -7.620 -1.548 -6.959 132 1HG PRO 16 2HG PRO 16 -7.787 -1.078 -9.897 133 2HG PRO 16 1HG PRO 16 -6.393 -0.951 -8.809 134 1HD PRO 16 2HD PRO 16 -6.756 -3.034 -10.481 135 2HD PRO 16 1HD PRO 16 -5.959 -3.209 -8.906 136 H LEU 17 H LEU 17 -10.765 -2.441 -6.559 137 HA LEU 17 HA LEU 17 -12.765 -2.867 -8.657 138 1HB LEU 17 2HB LEU 17 -13.120 -2.288 -5.706 139 2HB LEU 17 1HB LEU 17 -14.404 -2.683 -6.834 140 HG LEU 17 HG LEU 17 -12.156 -4.542 -6.051 141 1HD1 LEU 17 1HD1 LEU 17 -13.657 -4.154 -4.187 142 2HD1 LEU 17 2HD1 LEU 17 -13.878 -5.780 -4.834 143 3HD1 LEU 17 3HD1 LEU 17 -15.049 -4.514 -5.208 144 1HD2 LEU 17 1HD2 LEU 17 -13.486 -6.244 -7.203 145 2HD2 LEU 17 2HD2 LEU 17 -12.971 -4.964 -8.299 146 3HD2 LEU 17 3HD2 LEU 17 -14.633 -5.003 -7.711 147 H GLN 18 H GLN 18 -10.882 -0.598 -7.202 148 HA GLN 18 HA GLN 18 -12.654 1.630 -8.013 149 1HB GLN 18 2HB GLN 18 -10.576 1.777 -5.837 150 2HB GLN 18 1HB GLN 18 -11.839 2.944 -6.202 151 1HG GLN 18 2HG GLN 18 -13.530 1.347 -5.461 152 2HG GLN 18 1HG GLN 18 -12.261 0.172 -5.107 153 1HE2 GLN 18 1HE2 GLN 18 -10.899 0.515 -3.366 154 2HE2 GLN 18 2HE2 GLN 18 -11.287 1.613 -2.092 155 H LYS 19 H LYS 19 -11.575 3.479 -8.905 156 HA LYS 19 HA LYS 19 -9.020 2.867 -10.126 157 1HB LYS 19 2HB LYS 19 -11.046 4.989 -10.436 158 2HB LYS 19 1HB LYS 19 -9.393 5.455 -10.777 159 1HG LYS 19 2HG LYS 19 -10.639 4.719 -12.779 160 2HG LYS 19 1HG LYS 19 -9.197 3.758 -12.459 161 1HD LYS 19 2HD LYS 19 -10.684 2.085 -11.321 162 2HD LYS 19 1HD LYS 19 -12.062 3.008 -11.923 163 1HE LYS 19 2HE LYS 19 -11.339 2.645 -14.208 164 2HE LYS 19 1HE LYS 19 -9.900 1.797 -13.642 165 1HZ LYS 19 1HZ LYS 19 -11.293 0.069 -12.734 166 2HZ LYS 19 2HZ LYS 19 -11.676 0.288 -14.373 167 3HZ LYS 19 3HZ LYS 19 -12.698 0.908 -13.175 168 H VAL 20 H VAL 20 -7.118 3.647 -9.552 169 HA VAL 20 HA VAL 20 -7.059 4.934 -6.902 170 HB VAL 20 HB VAL 20 -4.871 3.167 -7.981 171 1HG1 VAL 20 1HG1 VAL 20 -5.685 3.955 -5.187 172 2HG1 VAL 20 2HG1 VAL 20 -4.299 4.576 -6.085 173 3HG1 VAL 20 3HG1 VAL 20 -4.350 2.880 -5.600 174 1HG2 VAL 20 1HG2 VAL 20 -7.273 2.293 -6.375 175 2HG2 VAL 20 2HG2 VAL 20 -5.850 1.304 -6.695 176 3HG2 VAL 20 3HG2 VAL 20 -6.887 1.814 -8.028 177 H ASP 21 H ASP 21 -5.424 6.361 -6.436 178 HA ASP 21 HA ASP 21 -4.543 7.912 -8.741 179 1HB ASP 21 2HB ASP 21 -5.837 8.999 -6.972 180 2HB ASP 21 1HB ASP 21 -4.620 8.559 -5.796 181 H LEU 22 H LEU 22 -3.362 5.427 -7.383 182 HA LEU 22 HA LEU 22 -0.693 6.240 -6.731 183 1HB LEU 22 2HB LEU 22 -1.894 3.528 -7.271 184 2HB LEU 22 1HB LEU 22 -0.244 3.790 -6.764 185 HG LEU 22 HG LEU 22 -2.726 4.399 -5.166 186 1HD1 LEU 22 1HD1 LEU 22 -2.164 2.029 -5.270 187 2HD1 LEU 22 2HD1 LEU 22 -1.859 2.676 -3.658 188 3HD1 LEU 22 3HD1 LEU 22 -0.513 2.389 -4.761 189 1HD2 LEU 22 1HD2 LEU 22 -1.190 5.030 -3.363 190 2HD2 LEU 22 2HD2 LEU 22 -1.032 6.096 -4.759 191 3HD2 LEU 22 3HD2 LEU 22 0.173 4.842 -4.469 192 H LYS 23 H LYS 23 1.065 4.805 -8.034 193 HA LYS 23 HA LYS 23 0.623 5.540 -10.840 194 1HB LYS 23 2HB LYS 23 3.046 6.222 -10.805 195 2HB LYS 23 1HB LYS 23 1.952 7.263 -9.912 196 1HG LYS 23 2HG LYS 23 2.614 5.988 -7.853 197 2HG LYS 23 1HG LYS 23 3.869 5.223 -8.828 198 1HD LYS 23 2HD LYS 23 4.941 7.308 -9.223 199 2HD LYS 23 1HD LYS 23 3.586 8.205 -8.532 200 1HE LYS 23 2HE LYS 23 5.417 6.319 -7.052 201 2HE LYS 23 1HE LYS 23 5.445 8.081 -6.958 202 1HZ LYS 23 1HZ LYS 23 4.266 7.186 -5.077 203 2HZ LYS 23 2HZ LYS 23 3.233 6.288 -6.078 204 3HZ LYS 23 3HZ LYS 23 3.152 7.984 -6.080 205 H GLU 24 H GLU 24 2.106 4.507 -12.357 206 HA GLU 24 HA GLU 24 2.377 1.735 -11.939 207 1HB GLU 24 2HB GLU 24 3.911 2.054 -14.050 208 2HB GLU 24 1HB GLU 24 2.169 2.213 -14.163 209 1HG GLU 24 2HG GLU 24 2.300 4.571 -14.234 210 2HG GLU 24 1HG GLU 24 3.993 4.558 -13.745 211 H GLY 25 H GLY 25 3.811 0.750 -10.769 212 1HA GLY 25 2HA GLY 25 6.146 0.237 -10.301 213 2HA GLY 25 1HA GLY 25 6.494 1.954 -10.459 214 H GLU 26 H GLU 26 3.585 1.360 -8.829 215 HA GLU 26 HA GLU 26 4.649 2.194 -6.306 216 1HB GLU 26 2HB GLU 26 2.325 2.612 -7.506 217 2HB GLU 26 1HB GLU 26 1.882 1.115 -6.706 218 1HG GLU 26 2HG GLU 26 1.184 2.810 -5.313 219 2HG GLU 26 1HG GLU 26 2.657 2.191 -4.577 220 H ARG 27 H ARG 27 5.168 0.863 -4.583 221 HA ARG 27 HA ARG 27 4.784 -2.020 -5.006 222 1HB ARG 27 2HB ARG 27 6.971 -0.482 -3.978 223 2HB ARG 27 1HB ARG 27 6.503 -1.706 -2.825 224 1HG ARG 27 2HG ARG 27 8.237 -2.556 -4.269 225 2HG ARG 27 1HG ARG 27 6.730 -3.418 -4.582 226 1HD ARG 27 2HD ARG 27 7.721 -2.953 -6.694 227 2HD ARG 27 1HD ARG 27 6.357 -1.850 -6.517 228 HE ARG 27 HE ARG 27 8.552 -0.469 -5.583 229 1HH1 ARG 27 1HH1 ARG 27 7.675 -2.033 -8.596 230 2HH1 ARG 27 2HH1 ARG 27 8.573 -0.928 -9.589 231 1HH2 ARG 27 1HH2 ARG 27 9.757 0.969 -6.870 232 2HH2 ARG 27 2HH2 ARG 27 9.760 0.797 -8.601 233 H VAL 28 H VAL 28 3.680 -3.225 -3.732 234 HA VAL 28 HA VAL 28 2.332 -1.980 -1.446 235 HB VAL 28 HB VAL 28 0.147 -2.771 -2.265 236 1HG1 VAL 28 1HG1 VAL 28 -0.185 -1.087 -3.988 237 2HG1 VAL 28 2HG1 VAL 28 1.556 -0.974 -4.235 238 3HG1 VAL 28 3HG1 VAL 28 0.848 -0.462 -2.703 239 1HG2 VAL 28 1HG2 VAL 28 -0.089 -3.475 -4.613 240 2HG2 VAL 28 2HG2 VAL 28 0.897 -4.602 -3.678 241 3HG2 VAL 28 3HG2 VAL 28 1.667 -3.461 -4.779 242 H LYS 29 H LYS 29 1.071 -3.467 -0.145 243 HA LYS 29 HA LYS 29 2.067 -6.229 -0.186 244 1HB LYS 29 2HB LYS 29 1.513 -4.311 2.006 245 2HB LYS 29 1HB LYS 29 1.226 -6.009 2.301 246 1HG LYS 29 2HG LYS 29 3.439 -5.276 3.035 247 2HG LYS 29 1HG LYS 29 3.499 -6.539 1.813 248 1HD LYS 29 2HD LYS 29 3.952 -4.823 0.103 249 2HD LYS 29 1HD LYS 29 3.965 -3.596 1.374 250 1HE LYS 29 2HE LYS 29 5.845 -4.673 2.443 251 2HE LYS 29 1HE LYS 29 5.796 -5.989 1.271 252 1HZ LYS 29 1HZ LYS 29 6.356 -3.149 0.614 253 2HZ LYS 29 2HZ LYS 29 6.399 -4.448 -0.471 254 3HZ LYS 29 3HZ LYS 29 7.533 -4.353 0.789 255 H ILE 30 H ILE 30 0.643 -7.820 0.019 256 HA ILE 30 HA ILE 30 -2.238 -7.138 -0.013 257 HB ILE 30 HB ILE 30 -1.084 -9.568 -1.328 258 1HG1 ILE 30 2HG1 ILE 30 -1.747 -6.978 -2.729 259 2HG1 ILE 30 1HG1 ILE 30 -0.110 -7.498 -2.356 260 1HG2 ILE 30 1HG2 ILE 30 -3.700 -8.126 -1.685 261 2HG2 ILE 30 2HG2 ILE 30 -3.452 -9.614 -0.768 262 3HG2 ILE 30 3HG2 ILE 30 -3.209 -9.602 -2.516 263 1HD1 ILE 30 1HD1 ILE 30 -0.427 -9.465 -3.773 264 2HD1 ILE 30 2HD1 ILE 30 -0.655 -7.960 -4.661 265 3HD1 ILE 30 3HD1 ILE 30 -2.056 -8.907 -4.162 266 H LYS 31 H LYS 31 -3.437 -8.213 1.325 267 HA LYS 31 HA LYS 31 -2.817 -10.819 2.228 268 1HB LYS 31 2HB LYS 31 -3.017 -10.287 4.590 269 2HB LYS 31 1HB LYS 31 -1.599 -9.524 3.901 270 1HG LYS 31 2HG LYS 31 -2.565 -7.434 3.978 271 2HG LYS 31 1HG LYS 31 -4.194 -8.068 4.133 272 1HD LYS 31 2HD LYS 31 -3.413 -7.111 6.243 273 2HD LYS 31 1HD LYS 31 -3.701 -8.844 6.385 274 1HE LYS 31 2HE LYS 31 -1.309 -9.263 6.167 275 2HE LYS 31 1HE LYS 31 -1.012 -7.533 5.996 276 1HZ LYS 31 1HZ LYS 31 -2.249 -8.798 8.377 277 2HZ LYS 31 2HZ LYS 31 -1.818 -7.168 8.214 278 3HZ LYS 31 3HZ LYS 31 -0.616 -8.369 8.266 279 H LEU 32 H LEU 32 -4.599 -11.688 3.445 280 HA LEU 32 HA LEU 32 -7.132 -10.357 3.008 281 1HB LEU 32 2HB LEU 32 -6.497 -12.942 4.440 282 2HB LEU 32 1HB LEU 32 -8.096 -12.338 4.085 283 HG LEU 32 HG LEU 32 -7.774 -13.940 2.454 284 1HD1 LEU 32 1HD1 LEU 32 -8.545 -11.884 1.465 285 2HD1 LEU 32 2HD1 LEU 32 -7.527 -12.775 0.333 286 3HD1 LEU 32 3HD1 LEU 32 -6.879 -11.376 1.188 287 1HD2 LEU 32 1HD2 LEU 32 -5.450 -14.455 2.832 288 2HD2 LEU 32 2HD2 LEU 32 -4.965 -12.935 2.081 289 3HD2 LEU 32 3HD2 LEU 32 -5.726 -14.195 1.109 290 H GLU 33 H GLU 33 -7.896 -9.001 4.514 291 HA GLU 33 HA GLU 33 -5.793 -7.852 5.932 292 1HB GLU 33 2HB GLU 33 -7.701 -6.654 4.877 293 2HB GLU 33 1HB GLU 33 -8.698 -7.136 6.240 294 1HG GLU 33 2HG GLU 33 -7.844 -4.847 6.432 295 2HG GLU 33 1HG GLU 33 -7.313 -5.887 7.752 296 H LEU 34 H LEU 34 -5.454 -7.318 7.999 297 HA LEU 34 HA LEU 34 -4.999 -7.759 10.140 298 1HB LEU 34 2HB LEU 34 -7.943 -8.381 10.215 299 2HB LEU 34 1HB LEU 34 -6.923 -8.045 11.590 300 HG LEU 34 HG LEU 34 -7.492 -6.108 9.389 301 1HD1 LEU 34 1HD1 LEU 34 -8.861 -4.927 11.026 302 2HD1 LEU 34 2HD1 LEU 34 -8.566 -6.213 12.198 303 3HD1 LEU 34 3HD1 LEU 34 -9.475 -6.552 10.725 304 1HD2 LEU 34 1HD2 LEU 34 -6.412 -4.465 10.827 305 2HD2 LEU 34 2HD2 LEU 34 -5.305 -5.780 10.429 306 3HD2 LEU 34 3HD2 LEU 34 -6.071 -5.724 12.018 307 H LYS 35 H LYS 35 -5.967 -9.469 11.996 308 HA LYS 35 HA LYS 35 -5.315 -12.119 10.942 309 1HB LYS 35 2HB LYS 35 -4.663 -10.775 13.553 310 2HB LYS 35 1HB LYS 35 -4.614 -12.513 13.382 311 1HG LYS 35 2HG LYS 35 -2.958 -12.255 11.563 312 2HG LYS 35 1HG LYS 35 -2.968 -10.516 11.853 313 1HD LYS 35 2HD LYS 35 -2.153 -10.859 14.115 314 2HD LYS 35 1HD LYS 35 -2.221 -12.609 13.895 315 1HE LYS 35 2HE LYS 35 -0.563 -12.432 12.097 316 2HE LYS 35 1HE LYS 35 -0.481 -10.691 12.349 317 1HZ LYS 35 1HZ LYS 35 1.336 -11.889 13.451 318 2HZ LYS 35 2HZ LYS 35 0.212 -12.737 14.393 319 3HZ LYS 35 3HZ LYS 35 0.367 -11.056 14.564 320 H VAL 36 H VAL 36 -6.211 -13.863 12.533 321 HA VAL 36 HA VAL 36 -9.066 -13.376 12.645 322 HB VAL 36 HB VAL 36 -8.086 -15.462 11.655 323 1HG1 VAL 36 1HG1 VAL 36 -7.421 -17.279 13.181 324 2HG1 VAL 36 2HG1 VAL 36 -7.494 -16.142 14.529 325 3HG1 VAL 36 3HG1 VAL 36 -6.320 -15.902 13.236 326 1HG2 VAL 36 1HG2 VAL 36 -10.011 -15.875 13.926 327 2HG2 VAL 36 2HG2 VAL 36 -9.765 -16.969 12.563 328 3HG2 VAL 36 3HG2 VAL 36 -10.423 -15.356 12.292 329 H GLU 37 H GLU 37 -10.297 -14.166 14.558 330 HA GLU 37 HA GLU 37 -9.522 -12.893 16.928 331 1HB GLU 37 2HB GLU 37 -11.695 -14.746 16.071 332 2HB GLU 37 1HB GLU 37 -11.452 -14.510 17.789 333 1HG GLU 37 2HG GLU 37 -13.170 -13.029 16.813 334 2HG GLU 37 1HG GLU 37 -11.851 -12.160 17.594 335 HA PRO 38 HA PRO 38 -7.091 -15.768 19.208 336 1HB PRO 38 2HB PRO 38 -8.332 -15.917 21.647 337 2HB PRO 38 1HB PRO 38 -7.319 -14.564 21.134 338 1HG PRO 38 2HG PRO 38 -10.301 -14.814 21.118 339 2HG PRO 38 1HG PRO 38 -9.293 -13.430 21.586 340 1HD PRO 38 2HD PRO 38 -10.513 -13.546 19.197 341 2HD PRO 38 1HD PRO 38 -8.916 -12.800 19.392 342 H ILE 39 H ILE 39 -7.284 -17.752 20.757 343 HA ILE 39 HA ILE 39 -8.682 -19.752 19.271 344 HB ILE 39 HB ILE 39 -7.643 -21.312 20.893 345 1HG1 ILE 39 2HG1 ILE 39 -6.416 -18.808 22.071 346 2HG1 ILE 39 1HG1 ILE 39 -7.651 -19.798 22.848 347 1HG2 ILE 39 1HG2 ILE 39 -5.342 -20.942 20.166 348 2HG2 ILE 39 2HG2 ILE 39 -5.770 -19.310 19.655 349 3HG2 ILE 39 3HG2 ILE 39 -6.490 -20.704 18.848 350 1HD1 ILE 39 1HD1 ILE 39 -4.872 -20.720 22.122 351 2HD1 ILE 39 2HD1 ILE 39 -6.104 -21.663 22.960 352 3HD1 ILE 39 3HD1 ILE 39 -5.415 -20.236 23.730 353 H ASP 40 H ASP 40 -9.719 -21.572 20.652 354 HA ASP 40 HA ASP 40 -12.094 -20.530 21.778 355 1HB ASP 40 2HB ASP 40 -10.912 -23.256 21.410 356 2HB ASP 40 1HB ASP 40 -12.324 -23.054 22.428 357 H LEU 41 H LEU 41 -12.877 -20.856 23.936 358 HA LEU 41 HA LEU 41 -10.810 -20.428 25.901 359 1HB LEU 41 2HB LEU 41 -12.669 -20.130 27.495 360 2HB LEU 41 1HB LEU 41 -12.811 -19.098 26.088 361 HG LEU 41 HG LEU 41 -14.412 -20.990 25.217 362 1HD1 LEU 41 1HD1 LEU 41 -13.956 -22.552 27.053 363 2HD1 LEU 41 2HD1 LEU 41 -15.655 -22.088 26.990 364 3HD1 LEU 41 3HD1 LEU 41 -14.592 -21.375 28.203 365 1HD2 LEU 41 1HD2 LEU 41 -15.183 -19.041 27.389 366 2HD2 LEU 41 2HD2 LEU 41 -16.295 -19.809 26.257 367 3HD2 LEU 41 3HD2 LEU 41 -15.069 -18.689 25.663 368 H GLY 42 H GLY 42 -10.411 -21.749 27.728 369 1HA GLY 42 2HA GLY 42 -11.359 -24.523 27.414 370 2HA GLY 42 1HA GLY 42 -9.665 -24.156 27.712 371 H GLU 43 H GLU 43 -9.483 -25.194 29.612 372 HA GLU 43 HA GLU 43 -11.236 -25.270 31.734 373 1HB GLU 43 2HB GLU 43 -8.259 -25.140 32.123 374 2HB GLU 43 1HB GLU 43 -9.438 -26.028 33.065 375 1HG GLU 43 2HG GLU 43 -8.434 -27.703 31.871 376 2HG GLU 43 1HG GLU 43 -9.836 -27.339 30.869 377 HA PRO 44 HA PRO 44 -11.069 -20.989 32.976 378 1HB PRO 44 2HB PRO 44 -12.937 -21.178 34.935 379 2HB PRO 44 1HB PRO 44 -13.344 -21.084 33.218 380 1HG PRO 44 2HG PRO 44 -13.258 -23.456 35.027 381 2HG PRO 44 1HG PRO 44 -14.406 -23.074 33.733 382 1HD PRO 44 2HD PRO 44 -12.332 -24.844 33.466 383 2HD PRO 44 1HD PRO 44 -13.052 -23.954 32.111 384 H VAL 45 H VAL 45 -9.506 -20.218 34.201 385 HA VAL 45 HA VAL 45 -8.614 -21.658 36.557 386 HB VAL 45 HB VAL 45 -7.553 -18.984 35.682 387 1HG1 VAL 45 1HG1 VAL 45 -6.777 -19.793 37.825 388 2HG1 VAL 45 2HG1 VAL 45 -5.461 -19.835 36.651 389 3HG1 VAL 45 3HG1 VAL 45 -6.293 -21.325 37.094 390 1HG2 VAL 45 1HG2 VAL 45 -7.546 -20.383 33.682 391 2HG2 VAL 45 2HG2 VAL 45 -6.729 -21.665 34.571 392 3HG2 VAL 45 3HG2 VAL 45 -5.901 -20.138 34.268 393 H SER 46 H SER 46 -8.552 -20.674 38.647 394 HA SER 46 HA SER 46 -10.896 -19.010 39.081 395 1HB SER 46 2HB SER 46 -10.097 -19.629 41.566 396 2HB SER 46 1HB SER 46 -11.087 -20.704 40.582 397 HG SER 46 HG SER 46 -8.790 -21.286 41.629 398 H VAL 47 H VAL 47 -10.854 -17.263 40.547 399 HA VAL 47 HA VAL 47 -8.394 -15.696 40.434 400 HB VAL 47 HB VAL 47 -11.001 -14.823 41.647 401 1HG1 VAL 47 1HG1 VAL 47 -10.167 -12.573 41.109 402 2HG1 VAL 47 2HG1 VAL 47 -8.681 -13.295 40.491 403 3HG1 VAL 47 3HG1 VAL 47 -9.093 -13.450 42.198 404 1HG2 VAL 47 1HG2 VAL 47 -11.561 -13.775 39.492 405 2HG2 VAL 47 2HG2 VAL 47 -11.499 -15.533 39.375 406 3HG2 VAL 47 3HG2 VAL 47 -10.161 -14.559 38.759 407 H GLU 48 H GLU 48 -7.049 -16.451 41.940 408 HA GLU 48 HA GLU 48 -8.037 -17.430 44.474 409 1HB GLU 48 2HB GLU 48 -5.830 -18.205 44.861 410 2HB GLU 48 1HB GLU 48 -6.255 -18.575 43.203 411 1HG GLU 48 2HG GLU 48 -4.914 -16.719 42.419 412 2HG GLU 48 1HG GLU 48 -4.542 -16.268 44.083 413 H GLU 49 H GLU 49 -7.380 -14.524 43.371 414 HA GLU 49 HA GLU 49 -5.744 -13.207 45.141 415 1HB GLU 49 2HB GLU 49 -8.262 -12.125 43.882 416 2HB GLU 49 1HB GLU 49 -6.992 -11.153 44.612 417 1HG GLU 49 2HG GLU 49 -5.447 -12.351 42.915 418 2HG GLU 49 1HG GLU 49 -6.954 -12.715 42.074 419 H ILE 50 H ILE 50 -8.912 -14.426 45.743 420 HA ILE 50 HA ILE 50 -9.379 -12.889 48.134 421 HB ILE 50 HB ILE 50 -11.225 -14.525 48.524 422 1HG1 ILE 50 2HG1 ILE 50 -10.320 -15.642 45.860 423 2HG1 ILE 50 1HG1 ILE 50 -10.174 -16.463 47.407 424 1HG2 ILE 50 1HG2 ILE 50 -11.134 -13.237 45.802 425 2HG2 ILE 50 2HG2 ILE 50 -11.607 -12.453 47.311 426 3HG2 ILE 50 3HG2 ILE 50 -12.594 -13.755 46.644 427 1HD1 ILE 50 1HD1 ILE 50 -12.755 -15.702 46.052 428 2HD1 ILE 50 2HD1 ILE 50 -12.605 -16.521 47.608 429 3HD1 ILE 50 3HD1 ILE 50 -12.054 -17.317 46.135 430 H LYS 51 H LYS 51 -7.005 -14.774 47.667 431 HA LYS 51 HA LYS 51 -7.090 -16.946 49.451 432 1HB LYS 51 2HB LYS 51 -5.433 -16.083 47.531 433 2HB LYS 51 1HB LYS 51 -4.525 -15.565 48.934 434 1HG LYS 51 2HG LYS 51 -4.326 -17.802 49.719 435 2HG LYS 51 1HG LYS 51 -5.471 -18.386 48.503 436 1HD LYS 51 2HD LYS 51 -3.901 -17.557 46.744 437 2HD LYS 51 1HD LYS 51 -2.737 -17.206 48.018 438 1HE LYS 51 2HE LYS 51 -2.590 -19.537 48.597 439 2HE LYS 51 1HE LYS 51 -3.898 -19.936 47.481 440 1HZ LYS 51 1HZ LYS 51 -2.515 -19.223 45.642 441 2HZ LYS 51 2HZ LYS 51 -1.727 -20.434 46.527 442 3HZ LYS 51 3HZ LYS 51 -1.259 -18.811 46.707 443 H LYS 52 H LYS 52 -6.660 -17.112 51.561 444 HA LYS 52 HA LYS 52 -5.183 -14.992 52.880 445 1HB LYS 52 2HB LYS 52 -6.574 -15.196 54.828 446 2HB LYS 52 1HB LYS 52 -7.572 -14.750 53.469 447 1HG LYS 52 2HG LYS 52 -8.438 -16.976 53.320 448 2HG LYS 52 1HG LYS 52 -7.298 -17.551 54.538 449 1HD LYS 52 2HD LYS 52 -8.337 -15.981 56.164 450 2HD LYS 52 1HD LYS 52 -9.547 -15.586 54.943 451 1HE LYS 52 2HE LYS 52 -10.271 -17.920 54.897 452 2HE LYS 52 1HE LYS 52 -9.043 -18.333 56.094 453 1HZ LYS 52 1HZ LYS 52 -10.135 -16.835 57.660 454 2HZ LYS 52 2HZ LYS 52 -11.191 -18.054 57.137 455 3HZ LYS 52 3HZ LYS 52 -11.329 -16.483 56.509 456 H ILE 53 H ILE 53 -3.800 -15.774 54.548 457 HA ILE 53 HA ILE 53 -3.034 -18.497 54.185 458 HB ILE 53 HB ILE 53 -1.288 -16.855 54.350 459 1HG1 ILE 53 2HG1 ILE 53 -1.417 -18.415 56.914 460 2HG1 ILE 53 1HG1 ILE 53 -0.954 -19.070 55.353 461 1HG2 ILE 53 1HG2 ILE 53 -2.440 -16.137 57.043 462 2HG2 ILE 53 2HG2 ILE 53 -2.443 -15.127 55.596 463 3HG2 ILE 53 3HG2 ILE 53 -0.920 -15.531 56.392 464 1HD1 ILE 53 1HD1 ILE 53 0.997 -18.600 56.726 465 2HD1 ILE 53 2HD1 ILE 53 0.504 -16.912 56.861 466 3HD1 ILE 53 3HD1 ILE 53 0.974 -17.572 55.295 467 H ARG 54 H ARG 54 -3.518 -20.168 55.493 468 HA ARG 54 HA ARG 54 -5.242 -19.800 57.748 469 1HB ARG 54 2HB ARG 54 -5.416 -21.828 56.383 470 2HB ARG 54 1HB ARG 54 -3.763 -22.261 56.792 471 1HG ARG 54 2HG ARG 54 -4.362 -22.601 59.093 472 2HG ARG 54 1HG ARG 54 -5.999 -22.014 58.793 473 1HD ARG 54 2HD ARG 54 -6.495 -23.887 57.408 474 2HD ARG 54 1HD ARG 54 -4.810 -24.408 57.406 475 HE ARG 54 HE ARG 54 -5.086 -24.934 59.780 476 1HH1 ARG 54 1HH1 ARG 54 -7.992 -24.561 57.861 477 2HH1 ARG 54 2HH1 ARG 54 -8.962 -25.558 58.905 478 1HH2 ARG 54 1HH2 ARG 54 -6.345 -26.254 61.141 479 2HH2 ARG 54 2HH2 ARG 54 -8.031 -26.505 60.779 480 H ASP 55 H ASP 55 -4.076 -18.422 59.077 481 HA ASP 55 HA ASP 55 -1.529 -19.383 60.150 482 1HB ASP 55 2HB ASP 55 -1.532 -17.086 59.377 483 2HB ASP 55 1HB ASP 55 -2.907 -16.709 60.401 484 H GLY 56 H GLY 56 -1.155 -19.556 62.322 485 1HA GLY 56 2HA GLY 56 -3.515 -19.642 64.079 486 2HA GLY 56 1HA GLY 56 -2.466 -21.049 63.954 487 H THR 57 H THR 57 -3.115 -18.404 65.773 488 HA THR 57 HA THR 57 -0.385 -18.364 66.849 489 HB THR 57 HB THR 57 -0.723 -16.311 65.539 490 HG1 THR 57 HG1 THR 57 0.416 -15.343 67.015 491 1HG2 THR 57 1HG2 THR 57 -3.158 -16.137 65.733 492 2HG2 THR 57 2HG2 THR 57 -2.363 -14.638 66.217 493 3HG2 THR 57 3HG2 THR 57 -2.988 -15.739 67.444 494 H TRP 58 H TRP 58 -0.265 -17.726 69.101 495 HA TRP 58 HA TRP 58 -2.351 -19.002 70.616 496 1HB TRP 58 2HB TRP 58 0.123 -19.217 71.098 497 2HB TRP 58 1HB TRP 58 0.090 -17.555 71.676 498 HD1 TRP 58 HD1 TRP 58 -1.953 -20.776 72.449 499 HE1 TRP 58 HE1 TRP 58 -2.249 -20.933 75.001 500 HE3 TRP 58 HE3 TRP 58 0.505 -16.508 73.804 501 HZ2 TRP 58 HZ2 TRP 58 -1.523 -19.438 77.291 502 HZ3 TRP 58 HZ3 TRP 58 0.665 -15.940 76.190 503 HH2 TRP 58 HH2 TRP 58 -0.328 -17.374 77.898 504 H MET 59 H MET 59 -3.370 -17.985 72.491 505 HA MET 59 HA MET 59 -4.690 -15.608 71.849 506 1HB MET 59 2HB MET 59 -4.351 -17.008 74.505 507 2HB MET 59 1HB MET 59 -5.408 -15.626 74.265 508 1HG MET 59 2HG MET 59 -6.757 -17.563 74.187 509 2HG MET 59 1HG MET 59 -6.624 -16.958 72.539 510 1HE MET 59 1HE MET 59 -7.712 -19.815 73.203 511 2HE MET 59 2HE MET 59 -6.864 -20.822 72.034 512 3HE MET 59 3HE MET 59 -7.505 -19.252 71.542 513 H SER 60 H SER 60 -4.668 -13.567 73.027 514 HA SER 60 HA SER 60 -2.075 -12.451 73.178 515 1HB SER 60 2HB SER 60 -3.487 -10.510 74.257 516 2HB SER 60 1HB SER 60 -3.678 -10.906 72.549 517 HG SER 60 HG SER 60 -5.479 -11.076 74.584 518 H SER 61 H SER 61 -1.482 -11.053 75.183 519 HA SER 61 HA SER 61 -0.947 -12.973 77.242 520 1HB SER 61 2HB SER 61 -0.278 -10.027 77.254 521 2HB SER 61 1HB SER 61 0.531 -11.316 78.143 522 HG SER 61 HG SER 61 1.149 -12.202 76.094 523 H LEU 62 H LEU 62 -3.732 -11.557 76.818 524 HA LEU 62 HA LEU 62 -5.451 -10.723 77.940 525 1HB LEU 62 2HB LEU 62 -4.041 -12.071 80.227 526 2HB LEU 62 1HB LEU 62 -5.655 -11.407 80.310 527 HG LEU 62 HG LEU 62 -6.017 -13.663 79.974 528 1HD1 LEU 62 1HD1 LEU 62 -6.912 -13.914 77.711 529 2HD1 LEU 62 2HD1 LEU 62 -6.089 -12.424 77.247 530 3HD1 LEU 62 3HD1 LEU 62 -7.369 -12.383 78.460 531 1HD2 LEU 62 1HD2 LEU 62 -3.751 -14.355 79.507 532 2HD2 LEU 62 2HD2 LEU 62 -3.861 -13.668 77.885 533 3HD2 LEU 62 3HD2 LEU 62 -4.864 -15.049 78.328 534 H GLU 63 H GLU 63 -6.201 -8.944 78.945 535 HA GLU 63 HA GLU 63 -4.382 -6.811 79.400 536 1HB GLU 63 2HB GLU 63 -6.985 -6.932 78.728 537 2HB GLU 63 1HB GLU 63 -7.158 -6.643 80.453 538 1HG GLU 63 2HG GLU 63 -5.538 -4.914 78.602 539 2HG GLU 63 1HG GLU 63 -7.213 -4.598 79.045 540 H HIS 64 H HIS 64 -3.136 -6.636 81.119 541 HA HIS 64 HA HIS 64 -3.649 -8.166 83.507 542 1HB HIS 64 2HB HIS 64 -1.407 -6.422 82.554 543 2HB HIS 64 1HB HIS 64 -1.484 -6.920 84.240 544 HD1 HIS 64 HD1 HIS 64 -1.754 -8.729 80.871 545 HD2 HIS 64 HD2 HIS 64 -0.053 -9.154 84.642 546 HE1 HIS 64 HE1 HIS 64 -0.450 -10.875 80.789 547 HE2 HIS 64 HE2 HIS 64 0.730 -11.009 83.015 548 H HIS 65 H HIS 65 -4.350 -5.027 82.442 549 HA HIS 65 HA HIS 65 -5.411 -3.275 83.397 550 1HB HIS 65 2HB HIS 65 -6.772 -4.914 84.639 551 2HB HIS 65 1HB HIS 65 -5.547 -4.977 85.900 552 HD1 HIS 65 HD1 HIS 65 -8.278 -2.811 84.523 553 HD2 HIS 65 HD2 HIS 65 -5.575 -2.837 87.689 554 HE1 HIS 65 HE1 HIS 65 -9.033 -0.979 86.083 555 HE2 HIS 65 HE2 HIS 65 -7.338 -0.958 87.954 556 H HIS 66 H HIS 66 -4.491 -1.427 83.945 557 HA HIS 66 HA HIS 66 -1.896 -1.506 85.228 558 1HB HIS 66 2HB HIS 66 -3.468 0.695 83.899 559 2HB HIS 66 1HB HIS 66 -1.953 0.994 84.745 560 HD1 HIS 66 HD1 HIS 66 0.156 0.604 83.476 561 HD2 HIS 66 HD2 HIS 66 -3.161 -1.044 81.579 562 HE1 HIS 66 HE1 HIS 66 0.964 -0.143 81.215 563 HE2 HIS 66 HE2 HIS 66 -1.107 -0.909 80.008 564 H HIS 67 H HIS 67 -1.352 -0.573 87.118 565 HA HIS 67 HA HIS 67 -1.494 0.469 89.121 566 1HB HIS 67 2HB HIS 67 -2.789 2.233 87.931 567 2HB HIS 67 1HB HIS 67 -4.269 1.362 88.313 568 HD1 HIS 67 HD1 HIS 67 -5.441 2.535 90.121 569 HD2 HIS 67 HD2 HIS 67 -1.316 2.602 90.652 570 HE1 HIS 67 HE1 HIS 67 -5.055 3.734 92.298 571 HE2 HIS 67 HE2 HIS 67 -2.566 3.632 92.677 572 H HIS 68 H HIS 68 -1.602 -0.667 90.883 573 HA HIS 68 HA HIS 68 -3.166 -2.960 91.239 574 1HB HIS 68 2HB HIS 68 -1.024 -2.457 92.413 575 2HB HIS 68 1HB HIS 68 -1.865 -1.248 93.373 576 HD1 HIS 68 HD1 HIS 68 -3.532 -2.149 95.213 577 HD2 HIS 68 HD2 HIS 68 -1.354 -5.073 93.204 578 HE1 HIS 68 HE1 HIS 68 -3.766 -4.238 96.588 579 HE2 HIS 68 HE2 HIS 68 -2.228 -5.909 95.490 580 H HIS 69 H HIS 69 -5.122 -3.338 92.140 581 HA HIS 69 HA HIS 69 -6.432 -1.136 93.560 582 1HB HIS 69 2HB HIS 69 -8.625 -1.921 92.708 583 2HB HIS 69 1HB HIS 69 -7.577 -1.306 91.441 584 HD1 HIS 69 HD1 HIS 69 -9.165 -4.470 92.692 585 HD2 HIS 69 HD2 HIS 69 -6.812 -3.186 89.512 586 HE1 HIS 69 HE1 HIS 69 -9.232 -6.332 91.005 587 HE2 HIS 69 HE2 HIS 69 -7.905 -5.483 89.036 588 1H MET 1 1H MET 1 -6.077 -19.923 5.126 589 2H MET 1 2H MET 1 -4.956 -19.620 3.891 590 3H MET 1 3H MET 1 -6.062 -18.416 4.348 591 HA MET 1 HA MET 1 -5.041 -18.475 6.613 592 1HB MET 1 2HB MET 1 -2.950 -20.018 5.053 593 2HB MET 1 1HB MET 1 -2.689 -19.326 6.646 594 1HG MET 1 2HG MET 1 -4.396 -20.766 7.586 595 2HG MET 1 1HG MET 1 -4.737 -21.427 5.988 596 1HE MET 1 1HE MET 1 -1.530 -23.457 5.175 597 2HE MET 1 2HE MET 1 -1.957 -21.831 4.652 598 3HE MET 1 3HE MET 1 -3.187 -23.089 4.693 599 HA PRO 2 HA PRO 2 -3.660 -14.767 4.640 600 1HB PRO 2 2HB PRO 2 -3.317 -13.263 6.837 601 2HB PRO 2 1HB PRO 2 -4.919 -13.735 6.262 602 1HG PRO 2 2HG PRO 2 -3.292 -14.875 8.494 603 2HG PRO 2 1HG PRO 2 -5.036 -14.569 8.416 604 1HD PRO 2 2HD PRO 2 -3.866 -17.037 8.026 605 2HD PRO 2 1HD PRO 2 -5.459 -16.570 7.397 606 H LYS 3 H LYS 3 -1.795 -14.012 3.949 607 HA LYS 3 HA LYS 3 0.468 -13.671 5.684 608 1HB LYS 3 2HB LYS 3 2.067 -14.868 4.277 609 2HB LYS 3 1HB LYS 3 0.850 -15.980 4.882 610 1HG LYS 3 2HG LYS 3 -0.291 -15.927 2.739 611 2HG LYS 3 1HG LYS 3 0.880 -14.761 2.126 612 1HD LYS 3 2HD LYS 3 1.535 -16.888 1.302 613 2HD LYS 3 1HD LYS 3 2.668 -16.476 2.590 614 1HE LYS 3 2HE LYS 3 1.378 -17.876 4.148 615 2HE LYS 3 1HE LYS 3 0.282 -18.311 2.835 616 1HZ LYS 3 1HZ LYS 3 1.788 -20.062 2.953 617 2HZ LYS 3 2HZ LYS 3 3.126 -19.050 3.183 618 3HZ LYS 3 3HZ LYS 3 2.377 -19.135 1.660 619 H ILE 4 H ILE 4 2.105 -12.252 4.617 620 HA ILE 4 HA ILE 4 0.818 -10.403 2.855 621 HB ILE 4 HB ILE 4 3.607 -10.529 3.931 622 1HG1 ILE 4 2HG1 ILE 4 2.768 -8.391 5.027 623 2HG1 ILE 4 1HG1 ILE 4 1.164 -8.913 4.570 624 1HG2 ILE 4 1HG2 ILE 4 3.927 -8.250 3.050 625 2HG2 ILE 4 2HG2 ILE 4 2.387 -8.392 2.201 626 3HG2 ILE 4 3HG2 ILE 4 3.729 -9.453 1.774 627 1HD1 ILE 4 1HD1 ILE 4 3.077 -10.356 6.396 628 2HD1 ILE 4 2HD1 ILE 4 1.497 -10.962 5.896 629 3HD1 ILE 4 3HD1 ILE 4 1.612 -9.493 6.863 630 H ILE 5 H ILE 5 0.874 -10.312 0.829 631 HA ILE 5 HA ILE 5 2.976 -11.674 -0.717 632 HB ILE 5 HB ILE 5 0.359 -10.730 -1.867 633 1HG1 ILE 5 2HG1 ILE 5 0.926 -13.481 -0.747 634 2HG1 ILE 5 1HG1 ILE 5 -0.163 -12.299 -0.031 635 1HG2 ILE 5 1HG2 ILE 5 0.855 -12.412 -3.587 636 2HG2 ILE 5 2HG2 ILE 5 2.350 -12.819 -2.746 637 3HG2 ILE 5 3HG2 ILE 5 2.139 -11.213 -3.444 638 1HD1 ILE 5 1HD1 ILE 5 -1.603 -12.435 -1.973 639 2HD1 ILE 5 2HD1 ILE 5 -1.350 -14.029 -1.261 640 3HD1 ILE 5 3HD1 ILE 5 -0.490 -13.574 -2.732 641 H GLU 6 H GLU 6 3.880 -10.424 -2.433 642 HA GLU 6 HA GLU 6 3.417 -7.547 -2.132 643 1HB GLU 6 2HB GLU 6 5.986 -9.028 -2.653 644 2HB GLU 6 1HB GLU 6 5.812 -7.291 -2.834 645 1HG GLU 6 2HG GLU 6 5.186 -7.109 -0.481 646 2HG GLU 6 1HG GLU 6 5.381 -8.852 -0.300 647 H ALA 7 H ALA 7 3.142 -6.350 -3.915 648 HA ALA 7 HA ALA 7 3.453 -7.582 -6.564 649 1HB ALA 7 1HB ALA 7 1.185 -6.943 -7.204 650 2HB ALA 7 2HB ALA 7 0.877 -6.314 -5.587 651 3HB ALA 7 3HB ALA 7 1.134 -8.042 -5.823 652 H VAL 8 H VAL 8 3.069 -5.891 -8.293 653 HA VAL 8 HA VAL 8 3.772 -3.193 -7.317 654 HB VAL 8 HB VAL 8 4.365 -4.214 -10.079 655 1HG1 VAL 8 1HG1 VAL 8 5.478 -1.907 -8.508 656 2HG1 VAL 8 2HG1 VAL 8 4.316 -1.808 -9.831 657 3HG1 VAL 8 3HG1 VAL 8 5.961 -2.370 -10.138 658 1HG2 VAL 8 1HG2 VAL 8 5.567 -5.663 -8.537 659 2HG2 VAL 8 2HG2 VAL 8 6.217 -4.256 -7.699 660 3HG2 VAL 8 3HG2 VAL 8 6.697 -4.587 -9.364 661 H TYR 9 H TYR 9 2.657 -1.499 -8.121 662 HA TYR 9 HA TYR 9 0.188 -2.118 -9.629 663 1HB TYR 9 2HB TYR 9 -0.074 -1.014 -7.418 664 2HB TYR 9 1HB TYR 9 0.924 0.320 -7.971 665 HD1 TYR 9 HD1 TYR 9 -2.241 -1.474 -8.795 666 HD2 TYR 9 HD2 TYR 9 -0.081 2.192 -8.909 667 HE1 TYR 9 HE1 TYR 9 -4.252 -0.322 -9.598 668 HE2 TYR 9 HE2 TYR 9 -2.093 3.359 -9.712 669 HH TYR 9 HH TYR 9 -4.191 2.840 -10.860 670 H GLU 10 H GLU 10 0.379 -1.940 -11.575 671 HA GLU 10 HA GLU 10 1.808 0.194 -12.875 672 1HB GLU 10 2HB GLU 10 0.328 -2.219 -13.858 673 2HB GLU 10 1HB GLU 10 0.762 -0.922 -14.958 674 1HG GLU 10 2HG GLU 10 3.140 -1.226 -14.203 675 2HG GLU 10 1HG GLU 10 2.601 -2.676 -13.362 676 H ASN 11 H ASN 11 0.163 0.750 -14.938 677 HA ASN 11 HA ASN 11 -1.224 2.948 -13.875 678 1HB ASN 11 2HB ASN 11 -0.267 2.085 -16.261 679 2HB ASN 11 1HB ASN 11 -1.994 1.964 -16.522 680 1HD2 ASN 11 1HD2 ASN 11 -2.569 4.207 -14.711 681 2HD2 ASN 11 2HD2 ASN 11 -2.127 5.633 -15.582 682 H GLY 12 H GLY 12 -2.325 0.940 -12.537 683 1HA GLY 12 2HA GLY 12 -4.745 0.979 -11.961 684 2HA GLY 12 1HA GLY 12 -5.057 0.685 -13.671 685 H VAL 13 H VAL 13 -2.269 -0.860 -12.801 686 HA VAL 13 HA VAL 13 -3.756 -3.421 -12.578 687 HB VAL 13 HB VAL 13 -0.914 -3.228 -13.461 688 1HG1 VAL 13 1HG1 VAL 13 -3.182 -5.093 -14.141 689 2HG1 VAL 13 2HG1 VAL 13 -1.830 -5.419 -13.056 690 3HG1 VAL 13 3HG1 VAL 13 -1.546 -5.208 -14.785 691 1HG2 VAL 13 1HG2 VAL 13 -3.294 -2.726 -15.256 692 2HG2 VAL 13 2HG2 VAL 13 -1.642 -2.987 -15.812 693 3HG2 VAL 13 3HG2 VAL 13 -2.032 -1.567 -14.838 694 H PHE 14 H PHE 14 -3.152 -4.886 -10.972 695 HA PHE 14 HA PHE 14 -0.685 -4.264 -9.493 696 1HB PHE 14 2HB PHE 14 -3.238 -5.556 -8.572 697 2HB PHE 14 1HB PHE 14 -1.732 -5.832 -7.731 698 HD1 PHE 14 HD1 PHE 14 -0.478 -3.762 -6.876 699 HD2 PHE 14 HD2 PHE 14 -4.576 -3.737 -8.034 700 HE1 PHE 14 HE1 PHE 14 -0.842 -1.747 -5.523 701 HE2 PHE 14 HE2 PHE 14 -4.946 -1.708 -6.685 702 HZ PHE 14 HZ PHE 14 -3.068 -0.708 -5.422 703 H LYS 15 H LYS 15 0.883 -5.531 -10.098 704 HA LYS 15 HA LYS 15 0.326 -8.308 -10.908 705 1HB LYS 15 2HB LYS 15 2.594 -6.439 -11.612 706 2HB LYS 15 1HB LYS 15 2.570 -8.144 -12.010 707 1HG LYS 15 2HG LYS 15 0.593 -7.797 -13.391 708 2HG LYS 15 1HG LYS 15 0.625 -6.080 -12.983 709 1HD LYS 15 2HD LYS 15 2.859 -5.898 -13.974 710 2HD LYS 15 1HD LYS 15 2.800 -7.605 -14.404 711 1HE LYS 15 2HE LYS 15 0.906 -7.195 -15.868 712 2HE LYS 15 1HE LYS 15 0.891 -5.496 -15.395 713 1HZ LYS 15 1HZ LYS 15 3.038 -5.188 -16.377 714 2HZ LYS 15 2HZ LYS 15 2.018 -5.900 -17.536 715 3HZ LYS 15 3HZ LYS 15 3.176 -6.843 -16.730 716 HA PRO 16 HA PRO 16 2.502 -9.103 -6.989 717 1HB PRO 16 2HB PRO 16 2.591 -11.832 -7.478 718 2HB PRO 16 1HB PRO 16 1.355 -10.989 -6.548 719 1HG PRO 16 2HG PRO 16 1.281 -11.997 -9.336 720 2HG PRO 16 1HG PRO 16 -0.041 -11.814 -8.171 721 1HD PRO 16 2HD PRO 16 0.330 -10.135 -10.272 722 2HD PRO 16 1HD PRO 16 -0.408 -9.620 -8.743 723 H LEU 17 H LEU 17 4.326 -9.893 -6.410 724 HA LEU 17 HA LEU 17 6.362 -10.618 -8.347 725 1HB LEU 17 2HB LEU 17 6.480 -10.004 -5.385 726 2HB LEU 17 1HB LEU 17 7.846 -10.626 -6.289 727 HG LEU 17 HG LEU 17 7.510 -8.530 -7.790 728 1HD1 LEU 17 1HD1 LEU 17 6.102 -7.634 -5.292 729 2HD1 LEU 17 2HD1 LEU 17 5.374 -7.839 -6.885 730 3HD1 LEU 17 3HD1 LEU 17 6.601 -6.598 -6.630 731 1HD2 LEU 17 1HD2 LEU 17 8.934 -7.202 -6.283 732 2HD2 LEU 17 2HD2 LEU 17 9.461 -8.880 -6.410 733 3HD2 LEU 17 3HD2 LEU 17 8.582 -8.339 -4.981 734 H GLN 18 H GLN 18 5.056 -11.558 -5.280 735 HA GLN 18 HA GLN 18 6.213 -14.195 -5.321 736 1HB GLN 18 2HB GLN 18 3.887 -13.292 -3.621 737 2HB GLN 18 1HB GLN 18 5.024 -14.587 -3.281 738 1HG GLN 18 2HG GLN 18 6.804 -12.918 -3.018 739 2HG GLN 18 1HG GLN 18 5.628 -11.639 -3.298 740 1HE2 GLN 18 1HE2 GLN 18 5.875 -10.722 -1.302 741 2HE2 GLN 18 2HE2 GLN 18 5.345 -11.474 0.159 742 H LYS 19 H LYS 19 5.367 -16.044 -6.163 743 HA LYS 19 HA LYS 19 3.164 -15.989 -7.872 744 1HB LYS 19 2HB LYS 19 4.895 -17.639 -8.122 745 2HB LYS 19 1HB LYS 19 4.550 -18.298 -6.535 746 1HG LYS 19 2HG LYS 19 3.700 -19.695 -8.330 747 2HG LYS 19 1HG LYS 19 2.410 -19.106 -7.285 748 1HD LYS 19 2HD LYS 19 1.864 -17.378 -8.935 749 2HD LYS 19 1HD LYS 19 3.167 -17.959 -9.976 750 1HE LYS 19 2HE LYS 19 0.944 -18.781 -10.674 751 2HE LYS 19 1HE LYS 19 2.057 -20.082 -10.256 752 1HZ LYS 19 1HZ LYS 19 -0.017 -19.000 -8.416 753 2HZ LYS 19 2HZ LYS 19 0.965 -20.360 -8.158 754 3HZ LYS 19 3HZ LYS 19 -0.218 -20.387 -9.366 755 H VAL 20 H VAL 20 1.137 -16.064 -7.529 756 HA VAL 20 HA VAL 20 0.106 -16.582 -4.860 757 HB VAL 20 HB VAL 20 -1.935 -15.471 -6.107 758 1HG1 VAL 20 1HG1 VAL 20 -0.856 -14.578 -4.116 759 2HG1 VAL 20 2HG1 VAL 20 -1.209 -13.291 -5.269 760 3HG1 VAL 20 3HG1 VAL 20 0.435 -13.914 -5.116 761 1HG2 VAL 20 1HG2 VAL 20 -1.251 -13.778 -7.702 762 2HG2 VAL 20 2HG2 VAL 20 -0.845 -15.392 -8.286 763 3HG2 VAL 20 3HG2 VAL 20 0.412 -14.357 -7.608 764 H ASP 21 H ASP 21 -1.052 -18.174 -4.423 765 HA ASP 21 HA ASP 21 -2.549 -19.488 -6.585 766 1HB ASP 21 2HB ASP 21 -0.772 -20.884 -5.603 767 2HB ASP 21 1HB ASP 21 -1.518 -20.693 -4.029 768 H LEU 22 H LEU 22 -4.080 -18.105 -6.319 769 HA LEU 22 HA LEU 22 -5.796 -18.378 -3.953 770 1HB LEU 22 2HB LEU 22 -5.106 -15.937 -5.575 771 2HB LEU 22 1HB LEU 22 -6.491 -16.005 -4.522 772 HG LEU 22 HG LEU 22 -3.632 -16.344 -3.631 773 1HD1 LEU 22 1HD1 LEU 22 -5.512 -14.005 -3.337 774 2HD1 LEU 22 2HD1 LEU 22 -4.083 -14.067 -4.367 775 3HD1 LEU 22 3HD1 LEU 22 -3.910 -14.137 -2.613 776 1HD2 LEU 22 1HD2 LEU 22 -5.215 -17.562 -2.228 777 2HD2 LEU 22 2HD2 LEU 22 -6.188 -16.102 -2.045 778 3HD2 LEU 22 3HD2 LEU 22 -4.558 -16.165 -1.374 779 H LYS 23 H LYS 23 -7.952 -16.933 -4.903 780 HA LYS 23 HA LYS 23 -8.974 -18.691 -6.987 781 1HB LYS 23 2HB LYS 23 -10.563 -16.515 -5.686 782 2HB LYS 23 1HB LYS 23 -11.101 -18.067 -6.294 783 1HG LYS 23 2HG LYS 23 -10.477 -19.193 -4.390 784 2HG LYS 23 1HG LYS 23 -9.306 -17.954 -3.917 785 1HD LYS 23 2HD LYS 23 -11.305 -16.397 -3.662 786 2HD LYS 23 1HD LYS 23 -12.307 -17.845 -3.768 787 1HE LYS 23 2HE LYS 23 -11.513 -18.692 -1.757 788 2HE LYS 23 1HE LYS 23 -10.050 -17.705 -1.810 789 1HZ LYS 23 1HZ LYS 23 -11.317 -15.759 -1.327 790 2HZ LYS 23 2HZ LYS 23 -11.716 -16.943 -0.170 791 3HZ LYS 23 3HZ LYS 23 -12.783 -16.608 -1.447 792 H GLU 24 H GLU 24 -10.110 -17.739 -8.857 793 HA GLU 24 HA GLU 24 -9.033 -15.160 -9.612 794 1HB GLU 24 2HB GLU 24 -10.793 -17.144 -11.051 795 2HB GLU 24 1HB GLU 24 -10.290 -15.618 -11.734 796 1HG GLU 24 2HG GLU 24 -7.959 -16.286 -11.574 797 2HG GLU 24 1HG GLU 24 -8.448 -17.816 -10.850 798 H GLY 25 H GLY 25 -10.111 -13.364 -9.661 799 1HA GLY 25 2HA GLY 25 -11.423 -11.814 -8.622 800 2HA GLY 25 1HA GLY 25 -12.760 -12.945 -8.797 801 H GLU 26 H GLU 26 -9.728 -12.785 -7.021 802 HA GLU 26 HA GLU 26 -11.043 -13.677 -4.577 803 1HB GLU 26 2HB GLU 26 -8.524 -14.076 -5.706 804 2HB GLU 26 1HB GLU 26 -8.225 -12.985 -4.361 805 1HG GLU 26 2HG GLU 26 -9.627 -15.632 -4.218 806 2HG GLU 26 1HG GLU 26 -7.971 -15.303 -3.738 807 H ARG 27 H ARG 27 -11.139 -12.397 -2.681 808 HA ARG 27 HA ARG 27 -10.868 -9.542 -3.276 809 1HB ARG 27 2HB ARG 27 -12.631 -11.013 -1.406 810 2HB ARG 27 1HB ARG 27 -12.284 -9.325 -1.128 811 1HG ARG 27 2HG ARG 27 -14.286 -9.340 -2.331 812 2HG ARG 27 1HG ARG 27 -13.042 -8.918 -3.507 813 1HD ARG 27 2HD ARG 27 -14.039 -10.511 -4.739 814 2HD ARG 27 1HD ARG 27 -13.057 -11.600 -3.762 815 HE ARG 27 HE ARG 27 -15.647 -10.956 -2.645 816 1HH1 ARG 27 1HH1 ARG 27 -13.809 -13.180 -4.636 817 2HH1 ARG 27 2HH1 ARG 27 -14.960 -14.472 -4.485 818 1HH2 ARG 27 1HH2 ARG 27 -17.172 -12.639 -2.457 819 2HH2 ARG 27 2HH2 ARG 27 -16.859 -14.174 -3.221 820 H VAL 28 H VAL 28 -9.114 -8.821 -2.732 821 HA VAL 28 HA VAL 28 -7.964 -9.359 -0.073 822 HB VAL 28 HB VAL 28 -5.720 -9.066 -1.038 823 1HG1 VAL 28 1HG1 VAL 28 -5.573 -11.144 -2.315 824 2HG1 VAL 28 2HG1 VAL 28 -7.323 -11.145 -2.517 825 3HG1 VAL 28 3HG1 VAL 28 -6.623 -11.330 -0.910 826 1HG2 VAL 28 1HG2 VAL 28 -7.162 -8.876 -3.684 827 2HG2 VAL 28 2HG2 VAL 28 -5.413 -8.957 -3.474 828 3HG2 VAL 28 3HG2 VAL 28 -6.309 -7.566 -2.868 829 H LYS 29 H LYS 29 -6.551 -7.492 0.680 830 HA LYS 29 HA LYS 29 -7.470 -5.005 -0.541 831 1HB LYS 29 2HB LYS 29 -7.266 -5.726 2.345 832 2HB LYS 29 1HB LYS 29 -7.206 -4.056 1.816 833 1HG LYS 29 2HG LYS 29 -9.358 -4.446 0.609 834 2HG LYS 29 1HG LYS 29 -9.436 -6.021 1.403 835 1HD LYS 29 2HD LYS 29 -9.083 -3.502 2.979 836 2HD LYS 29 1HD LYS 29 -10.670 -4.040 2.449 837 1HE LYS 29 2HE LYS 29 -8.775 -5.757 4.028 838 2HE LYS 29 1HE LYS 29 -10.022 -4.746 4.763 839 1HZ LYS 29 1HZ LYS 29 -10.542 -6.904 2.783 840 2HZ LYS 29 2HZ LYS 29 -11.707 -5.977 3.601 841 3HZ LYS 29 3HZ LYS 29 -10.727 -7.063 4.461 842 H ILE 30 H ILE 30 -6.090 -3.381 -0.714 843 HA ILE 30 HA ILE 30 -3.254 -4.220 -0.606 844 HB ILE 30 HB ILE 30 -4.364 -2.147 -2.461 845 1HG1 ILE 30 2HG1 ILE 30 -5.561 -4.308 -2.839 846 2HG1 ILE 30 1HG1 ILE 30 -4.580 -3.804 -4.209 847 1HG2 ILE 30 1HG2 ILE 30 -1.970 -2.159 -2.125 848 2HG2 ILE 30 2HG2 ILE 30 -2.371 -2.658 -3.768 849 3HG2 ILE 30 3HG2 ILE 30 -1.904 -3.865 -2.567 850 1HD1 ILE 30 1HD1 ILE 30 -4.374 -6.195 -3.806 851 2HD1 ILE 30 2HD1 ILE 30 -3.797 -5.873 -2.169 852 3HD1 ILE 30 3HD1 ILE 30 -2.835 -5.369 -3.559 853 H LYS 31 H LYS 31 -1.804 -2.905 0.124 854 HA LYS 31 HA LYS 31 -2.307 -0.117 0.576 855 1HB LYS 31 2HB LYS 31 -1.353 -0.227 2.822 856 2HB LYS 31 1HB LYS 31 -2.864 -1.106 2.735 857 1HG LYS 31 2HG LYS 31 -1.618 -3.192 2.579 858 2HG LYS 31 1HG LYS 31 -0.104 -2.299 2.667 859 1HD LYS 31 2HD LYS 31 -0.573 -3.154 4.841 860 2HD LYS 31 1HD LYS 31 -0.829 -1.414 4.877 861 1HE LYS 31 2HE LYS 31 -2.605 -2.561 6.081 862 2HE LYS 31 1HE LYS 31 -3.241 -1.765 4.642 863 1HZ LYS 31 1HZ LYS 31 -4.147 -4.007 4.945 864 2HZ LYS 31 2HZ LYS 31 -2.584 -4.653 4.840 865 3HZ LYS 31 3HZ LYS 31 -3.263 -3.874 3.504 866 H LEU 32 H LEU 32 -0.159 0.937 1.041 867 HA LEU 32 HA LEU 32 1.925 -0.525 -0.378 868 1HB LEU 32 2HB LEU 32 2.586 1.602 -1.423 869 2HB LEU 32 1HB LEU 32 1.025 1.026 -1.949 870 HG LEU 32 HG LEU 32 1.326 3.155 0.159 871 1HD1 LEU 32 1HD1 LEU 32 1.015 4.797 -1.605 872 2HD1 LEU 32 2HD1 LEU 32 1.014 3.515 -2.819 873 3HD1 LEU 32 3HD1 LEU 32 2.479 3.856 -1.894 874 1HD2 LEU 32 1HD2 LEU 32 -0.934 2.399 -1.699 875 2HD2 LEU 32 2HD2 LEU 32 -0.942 3.774 -0.595 876 3HD2 LEU 32 3HD2 LEU 32 -0.881 2.133 0.041 877 H GLU 33 H GLU 33 4.131 0.208 0.135 878 HA GLU 33 HA GLU 33 4.301 0.336 2.961 879 1HB GLU 33 2HB GLU 33 6.358 0.413 0.799 880 2HB GLU 33 1HB GLU 33 6.788 0.584 2.480 881 1HG GLU 33 2HG GLU 33 5.397 -1.771 1.240 882 2HG GLU 33 1HG GLU 33 7.078 -1.705 1.770 883 H LEU 34 H LEU 34 4.971 1.868 4.293 884 HA LEU 34 HA LEU 34 5.259 4.592 3.223 885 1HB LEU 34 2HB LEU 34 4.233 3.756 5.944 886 2HB LEU 34 1HB LEU 34 4.448 5.404 5.403 887 HG LEU 34 HG LEU 34 2.748 4.664 3.522 888 1HD1 LEU 34 1HD1 LEU 34 2.647 2.322 4.198 889 2HD1 LEU 34 2HD1 LEU 34 1.077 3.104 4.386 890 3HD1 LEU 34 3HD1 LEU 34 2.088 2.798 5.799 891 1HD2 LEU 34 1HD2 LEU 34 2.383 6.466 5.104 892 2HD2 LEU 34 2HD2 LEU 34 1.972 5.303 6.366 893 3HD2 LEU 34 3HD2 LEU 34 0.928 5.479 4.956 894 H LYS 35 H LYS 35 6.836 5.917 4.248 895 HA LYS 35 HA LYS 35 8.718 4.484 5.966 896 1HB LYS 35 2HB LYS 35 10.396 6.108 4.990 897 2HB LYS 35 1HB LYS 35 9.880 4.796 3.956 898 1HG LYS 35 2HG LYS 35 8.795 6.196 2.525 899 2HG LYS 35 1HG LYS 35 8.407 7.365 3.785 900 1HD LYS 35 2HD LYS 35 10.765 8.062 3.834 901 2HD LYS 35 1HD LYS 35 11.111 6.926 2.531 902 1HE LYS 35 2HE LYS 35 9.765 8.128 0.999 903 2HE LYS 35 1HE LYS 35 9.059 9.110 2.284 904 1HZ LYS 35 1HZ LYS 35 11.927 9.164 1.508 905 2HZ LYS 35 2HZ LYS 35 11.156 10.180 2.631 906 3HZ LYS 35 3HZ LYS 35 10.768 10.284 0.985 907 H VAL 36 H VAL 36 9.531 5.588 7.687 908 HA VAL 36 HA VAL 36 8.452 8.284 8.108 909 HB VAL 36 HB VAL 36 7.767 6.736 9.807 910 1HG1 VAL 36 1HG1 VAL 36 9.375 5.736 11.386 911 2HG1 VAL 36 2HG1 VAL 36 10.691 6.300 10.357 912 3HG1 VAL 36 3HG1 VAL 36 9.544 5.106 9.748 913 1HG2 VAL 36 1HG2 VAL 36 9.796 8.691 10.849 914 2HG2 VAL 36 2HG2 VAL 36 8.492 7.968 11.790 915 3HG2 VAL 36 3HG2 VAL 36 8.116 9.050 10.448 916 H GLU 37 H GLU 37 9.761 9.911 8.191 917 HA GLU 37 HA GLU 37 12.622 9.451 8.527 918 1HB GLU 37 2HB GLU 37 12.788 11.530 7.026 919 2HB GLU 37 1HB GLU 37 12.469 9.986 6.273 920 1HG GLU 37 2HG GLU 37 10.095 10.563 6.148 921 2HG GLU 37 1HG GLU 37 10.448 12.124 6.891 922 HA PRO 38 HA PRO 38 11.672 12.165 11.961 923 1HB PRO 38 2HB PRO 38 14.147 12.038 13.085 924 2HB PRO 38 1HB PRO 38 12.930 10.772 13.279 925 1HG PRO 38 2HG PRO 38 15.276 10.885 11.431 926 2HG PRO 38 1HG PRO 38 14.660 9.518 12.376 927 1HD PRO 38 2HD PRO 38 14.166 9.811 9.727 928 2HD PRO 38 1HD PRO 38 13.024 9.026 10.836 929 H ILE 39 H ILE 39 12.849 14.119 12.914 930 HA ILE 39 HA ILE 39 13.673 15.791 10.681 931 HB ILE 39 HB ILE 39 13.288 17.651 12.292 932 1HG1 ILE 39 2HG1 ILE 39 12.211 15.449 14.061 933 2HG1 ILE 39 1HG1 ILE 39 13.674 16.379 14.366 934 1HG2 ILE 39 1HG2 ILE 39 10.984 15.774 11.831 935 2HG2 ILE 39 2HG2 ILE 39 11.569 17.007 10.716 936 3HG2 ILE 39 3HG2 ILE 39 10.836 17.479 12.250 937 1HD1 ILE 39 1HD1 ILE 39 12.333 18.417 14.569 938 2HD1 ILE 39 2HD1 ILE 39 11.842 17.182 15.729 939 3HD1 ILE 39 3HD1 ILE 39 10.870 17.471 14.286 940 H ASP 40 H ASP 40 15.476 17.210 10.862 941 HA ASP 40 HA ASP 40 17.699 16.125 12.349 942 1HB ASP 40 2HB ASP 40 18.166 16.999 10.142 943 2HB ASP 40 1HB ASP 40 17.461 18.559 10.561 944 H LEU 41 H LEU 41 18.237 16.676 14.346 945 HA LEU 41 HA LEU 41 16.976 19.015 15.548 946 1HB LEU 41 2HB LEU 41 18.679 16.852 16.788 947 2HB LEU 41 1HB LEU 41 17.877 18.139 17.666 948 HG LEU 41 HG LEU 41 16.488 15.956 16.104 949 1HD1 LEU 41 1HD1 LEU 41 16.773 16.391 19.073 950 2HD1 LEU 41 2HD1 LEU 41 17.550 15.123 18.126 951 3HD1 LEU 41 3HD1 LEU 41 15.795 15.141 18.302 952 1HD2 LEU 41 1HD2 LEU 41 14.444 16.836 17.127 953 2HD2 LEU 41 2HD2 LEU 41 15.218 18.032 16.088 954 3HD2 LEU 41 3HD2 LEU 41 15.372 18.158 17.841 955 H GLY 42 H GLY 42 18.007 20.894 15.453 956 1HA GLY 42 2HA GLY 42 20.950 20.859 15.549 957 2HA GLY 42 1HA GLY 42 20.050 21.995 14.560 958 H GLU 43 H GLU 43 21.587 21.546 17.398 959 HA GLU 43 HA GLU 43 20.291 23.876 18.613 960 1HB GLU 43 2HB GLU 43 20.827 22.792 20.807 961 2HB GLU 43 1HB GLU 43 19.571 21.992 19.884 962 1HG GLU 43 2HG GLU 43 21.260 20.366 19.102 963 2HG GLU 43 1HG GLU 43 22.445 21.144 20.149 964 HA PRO 44 HA PRO 44 24.385 25.582 18.964 965 1HB PRO 44 2HB PRO 44 24.192 26.896 21.357 966 2HB PRO 44 1HB PRO 44 23.500 27.505 19.849 967 1HG PRO 44 2HG PRO 44 22.163 26.052 22.097 968 2HG PRO 44 1HG PRO 44 21.585 27.438 21.156 969 1HD PRO 44 2HD PRO 44 20.728 24.921 20.687 970 2HD PRO 44 1HD PRO 44 20.906 26.118 19.388 971 H VAL 45 H VAL 45 26.347 25.085 19.871 972 HA VAL 45 HA VAL 45 26.425 22.708 21.498 973 HB VAL 45 HB VAL 45 28.804 24.401 20.776 974 1HG1 VAL 45 1HG1 VAL 45 29.241 22.616 22.342 975 2HG1 VAL 45 2HG1 VAL 45 29.983 22.238 20.788 976 3HG1 VAL 45 3HG1 VAL 45 28.481 21.443 21.265 977 1HG2 VAL 45 1HG2 VAL 45 29.030 23.103 18.714 978 2HG2 VAL 45 2HG2 VAL 45 27.551 24.063 18.725 979 3HG2 VAL 45 3HG2 VAL 45 27.478 22.327 19.034 980 H SER 46 H SER 46 27.502 22.533 23.516 981 HA SER 46 HA SER 46 26.853 24.671 25.302 982 1HB SER 46 2HB SER 46 28.307 22.074 25.878 983 2HB SER 46 1HB SER 46 27.499 23.116 27.044 984 HG SER 46 HG SER 46 26.364 21.145 26.111 985 H VAL 47 H VAL 47 28.553 25.169 27.082 986 HA VAL 47 HA VAL 47 30.876 26.239 25.734 987 HB VAL 47 HB VAL 47 30.229 26.396 28.668 988 1HG1 VAL 47 1HG1 VAL 47 31.686 28.360 28.648 989 2HG1 VAL 47 2HG1 VAL 47 32.002 28.103 26.931 990 3HG1 VAL 47 3HG1 VAL 47 32.544 26.914 28.114 991 1HG2 VAL 47 1HG2 VAL 47 29.476 28.286 26.446 992 2HG2 VAL 47 2HG2 VAL 47 29.294 28.632 28.166 993 3HG2 VAL 47 3HG2 VAL 47 28.373 27.321 27.425 994 H GLU 48 H GLU 48 32.619 25.112 25.474 995 HA GLU 48 HA GLU 48 33.294 22.972 27.362 996 1HB GLU 48 2HB GLU 48 33.067 22.375 24.940 997 2HB GLU 48 1HB GLU 48 34.395 23.467 24.580 998 1HG GLU 48 2HG GLU 48 35.101 21.121 24.671 999 2HG GLU 48 1HG GLU 48 35.917 22.118 25.876 1000 H GLU 49 H GLU 49 35.546 22.792 28.019 1001 HA GLU 49 HA GLU 49 36.554 25.275 28.910 1002 1HB GLU 49 2HB GLU 49 37.731 22.506 28.983 1003 2HB GLU 49 1HB GLU 49 38.497 23.900 29.739 1004 1HG GLU 49 2HG GLU 49 36.505 24.227 31.132 1005 2HG GLU 49 1HG GLU 49 35.763 22.812 30.390 1006 H ILE 50 H ILE 50 37.190 23.401 26.107 1007 HA ILE 50 HA ILE 50 39.669 24.610 25.409 1008 HB ILE 50 HB ILE 50 37.620 23.144 23.734 1009 1HG1 ILE 50 2HG1 ILE 50 39.553 21.465 23.601 1010 2HG1 ILE 50 1HG1 ILE 50 40.303 22.385 24.898 1011 1HG2 ILE 50 1HG2 ILE 50 40.313 24.178 22.846 1012 2HG2 ILE 50 2HG2 ILE 50 38.733 24.686 22.249 1013 3HG2 ILE 50 3HG2 ILE 50 39.309 23.048 21.934 1014 1HD1 ILE 50 1HD1 ILE 50 39.162 20.446 25.774 1015 2HD1 ILE 50 2HD1 ILE 50 37.654 20.957 25.017 1016 3HD1 ILE 50 3HD1 ILE 50 38.355 21.917 26.320 1017 H LYS 51 H LYS 51 36.454 25.659 25.372 1018 HA LYS 51 HA LYS 51 36.937 27.828 23.519 1019 1HB LYS 51 2HB LYS 51 34.542 26.930 25.118 1020 2HB LYS 51 1HB LYS 51 34.560 28.377 24.149 1021 1HG LYS 51 2HG LYS 51 34.954 25.580 23.132 1022 2HG LYS 51 1HG LYS 51 33.483 26.545 22.978 1023 1HD LYS 51 2HD LYS 51 34.699 28.187 21.640 1024 2HD LYS 51 1HD LYS 51 36.176 27.232 21.800 1025 1HE LYS 51 2HE LYS 51 35.239 26.728 19.672 1026 2HE LYS 51 1HE LYS 51 34.958 25.333 20.713 1027 1HZ LYS 51 1HZ LYS 51 32.990 27.408 19.918 1028 2HZ LYS 51 2HZ LYS 51 32.687 26.247 21.111 1029 3HZ LYS 51 3HZ LYS 51 32.974 25.759 19.516 1030 H LYS 52 H LYS 52 37.410 29.872 24.201 1031 HA LYS 52 HA LYS 52 37.197 30.393 27.078 1032 1HB LYS 52 2HB LYS 52 39.519 29.760 26.507 1033 2HB LYS 52 1HB LYS 52 39.593 31.121 25.395 1034 1HG LYS 52 2HG LYS 52 40.662 31.636 27.522 1035 2HG LYS 52 1HG LYS 52 39.252 32.664 27.240 1036 1HD LYS 52 2HD LYS 52 37.912 31.108 28.647 1037 2HD LYS 52 1HD LYS 52 39.396 30.229 29.015 1038 1HE LYS 52 2HE LYS 52 40.343 32.262 30.000 1039 2HE LYS 52 1HE LYS 52 38.849 33.128 29.640 1040 1HZ LYS 52 1HZ LYS 52 39.138 30.798 31.464 1041 2HZ LYS 52 2HZ LYS 52 37.672 31.551 31.075 1042 3HZ LYS 52 3HZ LYS 52 38.860 32.412 31.919 1043 H ILE 53 H ILE 53 35.703 31.899 27.177 1044 HA ILE 53 HA ILE 53 35.623 34.088 25.321 1045 HB ILE 53 HB ILE 53 33.512 33.172 26.020 1046 1HG1 ILE 53 2HG1 ILE 53 33.951 35.770 27.464 1047 2HG1 ILE 53 1HG1 ILE 53 33.775 35.611 25.725 1048 1HG2 ILE 53 1HG2 ILE 53 34.194 32.164 28.133 1049 2HG2 ILE 53 2HG2 ILE 53 32.772 33.186 28.359 1050 3HG2 ILE 53 3HG2 ILE 53 34.362 33.766 28.853 1051 1HD1 ILE 53 1HD1 ILE 53 31.690 36.332 26.725 1052 2HD1 ILE 53 2HD1 ILE 53 31.700 34.932 27.797 1053 3HD1 ILE 53 3HD1 ILE 53 31.513 34.706 26.059 1054 H ARG 54 H ARG 54 36.249 36.161 25.812 1055 HA ARG 54 HA ARG 54 37.577 37.740 26.629 1056 1HB ARG 54 2HB ARG 54 35.572 37.611 28.205 1057 2HB ARG 54 1HB ARG 54 36.663 36.826 29.340 1058 1HG ARG 54 2HG ARG 54 36.427 39.200 29.742 1059 2HG ARG 54 1HG ARG 54 38.083 38.752 29.368 1060 1HD ARG 54 2HD ARG 54 37.502 39.443 26.964 1061 2HD ARG 54 1HD ARG 54 36.093 40.229 27.674 1062 HE ARG 54 HE ARG 54 38.718 40.886 28.778 1063 1HH1 ARG 54 1HH1 ARG 54 36.019 41.800 26.765 1064 2HH1 ARG 54 2HH1 ARG 54 36.449 43.479 26.707 1065 1HH2 ARG 54 1HH2 ARG 54 39.320 43.085 28.716 1066 2HH2 ARG 54 2HH2 ARG 54 38.344 44.219 27.822 1067 H ASP 55 H ASP 55 39.066 37.983 28.971 1068 HA ASP 55 HA ASP 55 41.156 35.980 28.467 1069 1HB ASP 55 2HB ASP 55 42.749 37.694 29.165 1070 2HB ASP 55 1HB ASP 55 41.715 38.321 27.884 1071 H GLY 56 H GLY 56 42.769 36.141 30.534 1072 1HA GLY 56 2HA GLY 56 41.278 36.167 33.036 1073 2HA GLY 56 1HA GLY 56 41.883 34.597 32.524 1074 H THR 57 H THR 57 42.546 36.979 34.570 1075 HA THR 57 HA THR 57 45.413 37.081 34.142 1076 HB THR 57 HB THR 57 45.090 38.389 36.449 1077 HG1 THR 57 HG1 THR 57 42.957 38.284 36.806 1078 1HG2 THR 57 1HG2 THR 57 44.846 40.456 35.128 1079 2HG2 THR 57 2HG2 THR 57 44.402 39.487 33.722 1080 3HG2 THR 57 3HG2 THR 57 46.020 39.350 34.413 1081 H TRP 58 H TRP 58 46.719 35.613 34.975 1082 HA TRP 58 HA TRP 58 45.754 33.696 36.890 1083 1HB TRP 58 2HB TRP 58 47.915 33.930 34.952 1084 2HB TRP 58 1HB TRP 58 48.447 33.219 36.464 1085 HD1 TRP 58 HD1 TRP 58 48.162 30.678 36.595 1086 HE1 TRP 58 HE1 TRP 58 46.735 28.904 35.381 1087 HE3 TRP 58 HE3 TRP 58 45.325 33.782 33.691 1088 HZ2 TRP 58 HZ2 TRP 58 44.680 28.845 33.456 1089 HZ3 TRP 58 HZ3 TRP 58 43.651 32.789 32.191 1090 HH2 TRP 58 HH2 TRP 58 43.337 30.368 32.078 1091 H MET 59 H MET 59 46.705 33.246 38.887 1092 HA MET 59 HA MET 59 48.248 35.461 40.059 1093 1HB MET 59 2HB MET 59 45.970 35.281 40.994 1094 2HB MET 59 1HB MET 59 46.281 33.606 41.427 1095 1HG MET 59 2HG MET 59 46.453 35.142 43.333 1096 2HG MET 59 1HG MET 59 47.955 34.275 43.019 1097 1HE MET 59 1HE MET 59 46.507 37.347 41.015 1098 2HE MET 59 2HE MET 59 47.271 38.697 41.857 1099 3HE MET 59 3HE MET 59 46.060 37.714 42.682 1100 H SER 60 H SER 60 49.823 34.853 41.675 1101 HA SER 60 HA SER 60 51.532 33.624 42.523 1102 1HB SER 60 2HB SER 60 49.815 31.912 43.056 1103 2HB SER 60 1HB SER 60 50.081 31.180 41.480 1104 HG SER 60 HG SER 60 52.419 31.181 42.313 1105 H SER 61 H SER 61 50.752 33.940 39.392 1106 HA SER 61 HA SER 61 52.993 32.534 38.227 1107 1HB SER 61 2HB SER 61 51.166 34.593 36.965 1108 2HB SER 61 1HB SER 61 52.211 33.447 36.124 1109 HG SER 61 HG SER 61 50.932 31.765 37.136 1110 H LEU 62 H LEU 62 52.891 35.063 40.158 1111 HA LEU 62 HA LEU 62 54.983 36.564 38.731 1112 1HB LEU 62 2HB LEU 62 53.065 37.556 40.848 1113 2HB LEU 62 1HB LEU 62 54.331 38.506 40.098 1114 HG LEU 62 HG LEU 62 51.987 37.326 38.611 1115 1HD1 LEU 62 1HD1 LEU 62 51.150 39.635 38.534 1116 2HD1 LEU 62 2HD1 LEU 62 52.451 40.126 39.619 1117 3HD1 LEU 62 3HD1 LEU 62 51.218 38.995 40.176 1118 1HD2 LEU 62 1HD2 LEU 62 52.700 38.826 36.813 1119 2HD2 LEU 62 2HD2 LEU 62 53.960 37.660 37.218 1120 3HD2 LEU 62 3HD2 LEU 62 54.088 39.327 37.780 1121 H GLU 63 H GLU 63 56.908 36.827 39.729 1122 HA GLU 63 HA GLU 63 57.262 35.508 42.322 1123 1HB GLU 63 2HB GLU 63 58.679 35.250 40.027 1124 2HB GLU 63 1HB GLU 63 59.597 36.532 40.801 1125 1HG GLU 63 2HG GLU 63 58.962 33.911 42.129 1126 2HG GLU 63 1HG GLU 63 60.426 34.204 41.194 1127 H HIS 64 H HIS 64 58.321 36.611 44.046 1128 HA HIS 64 HA HIS 64 58.653 39.489 43.783 1129 1HB HIS 64 2HB HIS 64 56.242 39.206 44.239 1130 2HB HIS 64 1HB HIS 64 56.624 38.290 45.688 1131 HD1 HIS 64 HD1 HIS 64 57.651 41.746 44.397 1132 HD2 HIS 64 HD2 HIS 64 56.281 39.845 47.837 1133 HE1 HIS 64 HE1 HIS 64 57.411 43.558 46.129 1134 HE2 HIS 64 HE2 HIS 64 56.358 42.416 48.116 1135 H HIS 65 H HIS 65 60.832 38.711 44.184 1136 HA HIS 65 HA HIS 65 61.377 38.778 47.049 1137 1HB HIS 65 2HB HIS 65 62.233 36.562 45.205 1138 2HB HIS 65 1HB HIS 65 63.228 37.006 46.589 1139 HD1 HIS 65 HD1 HIS 65 60.116 35.224 45.652 1140 HD2 HIS 65 HD2 HIS 65 62.040 36.518 49.112 1141 HE1 HIS 65 HE1 HIS 65 58.983 34.026 47.560 1142 HE2 HIS 65 HE2 HIS 65 60.255 34.722 49.624 1143 H HIS 66 H HIS 66 63.633 39.324 47.510 1144 HA HIS 66 HA HIS 66 65.167 40.460 45.339 1145 1HB HIS 66 2HB HIS 66 65.181 42.754 46.300 1146 2HB HIS 66 1HB HIS 66 63.598 42.276 45.697 1147 HD1 HIS 66 HD1 HIS 66 65.375 43.344 48.762 1148 HD2 HIS 66 HD2 HIS 66 61.672 41.756 47.744 1149 HE1 HIS 66 HE1 HIS 66 63.915 43.685 50.778 1150 HE2 HIS 66 HE2 HIS 66 61.745 42.537 50.207 1151 H HIS 67 H HIS 67 67.286 40.539 45.792 1152 HA HIS 67 HA HIS 67 68.082 40.422 48.628 1153 1HB HIS 67 2HB HIS 67 68.631 38.306 47.414 1154 2HB HIS 67 1HB HIS 67 69.632 39.239 46.309 1155 HD1 HIS 67 HD1 HIS 67 69.632 37.697 49.692 1156 HD2 HIS 67 HD2 HIS 67 72.039 40.254 47.458 1157 HE1 HIS 67 HE1 HIS 67 71.823 37.809 50.911 1158 HE2 HIS 67 HE2 HIS 67 73.140 39.576 49.699 1159 H HIS 68 H HIS 68 67.963 42.674 48.559 1160 HA HIS 68 HA HIS 68 70.318 44.084 48.076 1161 1HB HIS 68 2HB HIS 68 69.708 43.742 45.675 1162 2HB HIS 68 1HB HIS 68 68.185 44.568 45.968 1163 HD1 HIS 68 HD1 HIS 68 71.814 45.190 45.395 1164 HD2 HIS 68 HD2 HIS 68 68.368 47.358 46.223 1165 HE1 HIS 68 HE1 HIS 68 72.397 47.583 44.929 1166 HE2 HIS 68 HE2 HIS 68 70.236 48.847 45.236 1167 H HIS 69 H HIS 69 69.919 45.037 50.017 1168 HA HIS 69 HA HIS 69 67.324 45.956 50.789 1169 1HB HIS 69 2HB HIS 69 69.031 45.110 52.402 1170 2HB HIS 69 1HB HIS 69 70.000 46.542 52.078 1171 HD1 HIS 69 HD1 HIS 69 67.256 45.297 54.146 1172 HD2 HIS 69 HD2 HIS 69 68.761 48.991 52.974 1173 HE1 HIS 69 HE1 HIS 69 66.228 46.978 55.716 1174 HE2 HIS 69 HE2 HIS 69 67.039 49.222 54.884
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